data_r4b8csf
_entry.id   4B8C
_database_2.database_code   PDB
_database_2.database_id     4B8C
_audit.creation_date    '2012-08-26'

_cell.entry_id    4B8C
_cell.length_a      122.650
_cell.length_b      122.911
_cell.length_c      126.421
_cell.angle_alpha   89.47
_cell.angle_beta    89.74
_cell.angle_gamma   64.22
_cell.formula_units_Z    4

_symmetry.entry_id    4B8C
_symmetry.space_group_name_H-M  'P 1'

loop_
_symmetry_equiv.id
_symmetry_equiv.pos_as_xyz
       1  'X,Y,Z'

_atom_sites.entry_id     4B8C
_atom_sites.fract_transf_matrix[1][1]     0.008153
_atom_sites.fract_transf_matrix[1][2]    -0.003938
_atom_sites.fract_transf_matrix[1][3]    -0.000005
_atom_sites.fract_transf_matrix[2][1]     0.000000
_atom_sites.fract_transf_matrix[2][2]     0.009035
_atom_sites.fract_transf_matrix[2][3]    -0.000073
_atom_sites.fract_transf_matrix[3][1]     0.000000
_atom_sites.fract_transf_matrix[3][2]     0.000000
_atom_sites.fract_transf_matrix[3][3]     0.007910

_atom_sites.fract_transf_vector[1]         0.00000
_atom_sites.fract_transf_vector[2]         0.00000
_atom_sites.fract_transf_vector[3]         0.00000


_reflns.entry_id     4B8C
_reflns_scale.group_code 1
_exptl_crystal.id  1

_diffrn_radiation_wavelength.id 1
_diffrn_radiation_wavelength.wavelength 1.000
_reflns.d_resolution_high          3.284
_reflns.d_resolution_low         48.225
_reflns.number_all        98830

loop_
_refln.wavelength_id
_refln.crystal_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
  1 1 1     -37  -19    1 f    2.866000      0.7933000       3.191000 1.155000       2.541000       1.087000      0.6502000       1.587000
  1 1 1     -37  -18    1 o    2.420000      0.6579000       2.170000 0.8913000       2.670000      0.9680000     -0.5002000       1.316000
  1 1 1     -37  -18    2 o    1.851000      0.5908000       1.564000 0.7458000       2.139000      0.9164000     -0.5749000       1.182000
  1 1 1     -37  -17    1 f    3.414000      0.6719000       3.253000 0.9533000       3.575000      0.9470000     -0.3220000       1.344000
  1 1 1     -37  -17    2 o    2.049000      0.6215000       2.270000 0.9157000       1.827000      0.8407000      0.4428000       1.243000
  1 1 1     -37  -17    3 o    3.438000      0.7725000       4.239000 1.172000       2.638000       1.007000       1.600000       1.545000
  1 1 1     -37  -16    1 o    5.178000      0.5064000       5.835000 0.6102000       4.521000      0.8084000       1.314000       1.013000
  1 1 1     -37  -16    2 o    2.829000      0.6826000       2.574000 0.9622000       3.083000      0.9685000     -0.5085000       1.365000
  1 1 1     -37  -16    3 o    2.255000      0.6553000       2.286000 0.9271000       2.225000      0.9263000      0.6100000E-01   1.311000
  1 1 1     -37  -15    1 o    4.781000      0.5491000       5.879000 0.5913000       3.682000      0.9254000       2.197000       1.098000
  1 1 1     -37  -15    2 o    3.568000      0.6501000       3.596000 0.9249000       3.540000      0.9138000      0.5580000E-01   1.300000
  1 1 1     -37  -15    3 o    2.470000      0.7457000       2.397000 1.033000       2.542000       1.076000     -0.1452000       1.491000
  1 1 1     -37  -14    1 o    2.517000      0.6700000       2.472000 0.9402000       2.561000      0.9547000     -0.8921000E-01   1.340000
  1 1 1     -37  -14    2 o    1.963000      0.6069000       1.878000 0.8406000       2.048000      0.8756000     -0.1697000       1.214000
  1 1 1     -36  -24    1 f    3.177000      0.8420000       3.206000 1.197000       3.149000       1.185000      0.5645000E-01   1.684000
  1 1 1     -36  -23    1 o    3.514000      0.6892000       3.282000 0.9552000       3.745000      0.9937000     -0.4635000       1.378000
  1 1 1     -36  -23    2 o    2.818000      0.7087000       2.476000 0.9525000       3.160000       1.050000     -0.6839000       1.417000
  1 1 1     -36  -23    3 o    2.388000      0.6675000       2.691000 0.9709000       2.085000      0.9163000      0.6057000       1.335000
  1 1 1     -36  -23    4 o    2.777000      0.7263000       2.645000 0.9944000       2.909000       1.059000     -0.2640000       1.453000
  1 1 1     -36  -22    1 o    2.037000      0.6169000       1.496000 0.7158000       2.577000       1.005000      -1.081000       1.234000
  1 1 1     -36  -22    2 o    2.206000      0.6564000       2.266000 0.9275000       2.146000      0.9292000      0.1201000       1.313000
  1 1 1     -36  -22    3 f    3.280000      0.6758000       2.476000 0.9628000       4.084000      0.9487000      -1.608000       1.352000
  1 1 1     -36  -22    4 o    2.846000      0.6541000       2.013000 0.8707000       3.680000      0.9764000      -1.666000       1.308000
  1 1 1     -36  -22    5 o    2.206000      0.6589000       1.968000 0.8647000       2.443000      0.9944000     -0.4748000       1.318000
  1 1 1     -36  -22    6 o    3.301000      0.8348000       3.901000 1.217000       2.701000       1.143000       1.200000       1.670000
  1 1 1     -36  -21    1 o    2.924000      0.6638000       2.094000 0.8904000       3.753000      0.9846000      -1.659000       1.328000
  1 1 1     -36  -21    2 o    5.839000      0.4737000       6.119000 0.6057000       5.558000      0.7286000      0.5606000      0.9475000
  1 1 1     -36  -21    3 o    3.411000      0.7045000       3.543000 0.9777000       3.279000       1.015000      0.2645000       1.409000
  1 1 1     -36  -21    4 o    2.521000      0.6564000       1.904000 0.8564000       3.138000      0.9950000      -1.234000       1.313000
  1 1 1     -36  -21    5 o    2.210000      0.6554000       2.240000 0.9274000       2.181000      0.9262000      0.5835000E-01   1.311000
  1 1 1     -36  -21    6 o    2.738000      0.6995000       2.698000 0.9764000       2.779000       1.002000     -0.8104000E-01   1.399000
  1 1 1     -36  -21    7 o    3.697000      0.7877000       3.973000 1.173000       3.420000       1.052000      0.5533000       1.575000
  1 1 1     -36  -20    1 o    6.599000      0.4237000       6.233000 0.6105000       6.965000      0.5878000     -0.7326000      0.8475000
  1 1 1     -36  -20    2 o    7.717000      0.3828000       7.938000 0.5162000       7.496000      0.5655000      0.4421000      0.7657000
  1 1 1     -36  -20    3 o    4.601000      0.5807000       4.024000 0.8833000       5.177000      0.7541000      -1.153000       1.161000
  1 1 1     -36  -20    4 o    3.666000      0.6597000       2.876000 0.9939000       4.456000      0.8676000      -1.581000       1.319000
  1 1 1     -36  -20    5 o    2.198000      0.6524000       2.231000 0.9223000       2.165000      0.9230000      0.6587000E-01   1.305000
  1 1 1     -36  -20    6 o    2.399000      0.6784000       2.382000 0.9486000       2.415000      0.9701000     -0.3361000E-01   1.357000
  1 1 1     -36  -20    7 o    3.322000      0.6932000       3.931000 0.9570000       2.713000       1.003000       1.218000       1.386000
  1 1 1     -36  -20    8 o    2.701000       1.161000       2.701000 1.161000                  ?              ?              ?              ?
  1 1 1     -36  -19    1 o    8.868000      0.3542000       9.130000 0.4749000       8.605000      0.5257000      0.5251000      0.7085000
  1 1 1     -36  -19    2 o    3.878000      0.6556000       3.734000 0.9329000       4.021000      0.9213000     -0.2877000       1.311000
  1 1 1     -36  -19    3 f    2.928000      0.6851000       3.417000 0.9648000       2.439000      0.9728000      0.9781000       1.370000
  1 1 1     -36  -19    4 o    3.274000      0.6937000       2.940000 0.9796000       3.608000      0.9826000     -0.6676000       1.387000
  1 1 1     -36  -19    5 f    2.918000      0.6559000       2.103000 0.8907000       3.733000      0.9629000      -1.630000       1.312000
  1 1 1     -36  -19    6 f    2.791000      0.6045000       3.806000 0.8850000       1.775000      0.8237000       2.031000       1.209000
  1 1 1     -36  -19    7 o    2.563000      0.6891000       2.485000 0.9634000       2.641000      0.9855000     -0.1560000       1.378000
  1 1 1     -36  -19    8 o    4.043000      0.6182000       4.462000 0.8121000       3.625000      0.9322000      0.8374000       1.236000
  1 1 1     -36  -18    1 o    6.412000      0.6101000       5.832000 0.9000000       6.992000      0.8239000      -1.160000       1.220000
  1 1 1     -36  -18    2 o    2.921000      0.6491000       2.064000 0.8822000       3.778000      0.9523000      -1.714000       1.298000
  1 1 1     -36  -18    3 o    2.594000      0.6577000       1.961000 0.8711000       3.227000      0.9855000      -1.266000       1.315000
  1 1 1     -36  -18    4 o    5.512000      0.4838000       5.289000 0.6981000       5.736000      0.6701000     -0.4477000      0.9677000
  1 1 1     -36  -18    5 o    2.480000      0.6845000       2.548000 0.9723000       2.412000      0.9636000      0.1356000       1.369000
  1 1 1     -36  -18    6 o    2.645000      0.6894000       2.688000 0.9658000       2.601000      0.9841000      0.8701000E-01   1.379000
  1 1 1     -36  -18    7 o    4.309000      0.6276000       5.295000 0.7009000       3.324000       1.041000       1.971000       1.255000
  1 1 1     -36  -18    8 o    2.427000      0.6511000       3.031000 0.9951000       1.823000      0.8398000       1.208000       1.302000
  1 1 1     -36  -17    1 o    4.602000      0.7680000       4.307000 1.108000       4.897000       1.064000     -0.5908000       1.536000
  1 1 1     -36  -17    2 o    2.909000      0.6832000       2.555000 0.9529000       3.262000      0.9794000     -0.7073000       1.366000
  1 1 1     -36  -17    3 o    5.770000      0.4820000       5.890000 0.6460000       5.650000      0.7156000      0.2396000      0.9641000
  1 1 1     -36  -17    4 o    2.528000      0.6572000       3.090000 0.9813000       1.966000      0.8745000       1.124000       1.314000
  1 1 1     -36  -17    5 o    2.677000      0.6855000       2.356000 0.9453000       2.998000      0.9930000     -0.6421000       1.371000
  1 1 1     -36  -17    6 o    2.802000      0.6656000       3.382000 0.9424000       2.223000      0.9403000       1.159000       1.331000
  1 1 1     -36  -17    7 o    3.165000      0.6904000       2.669000 0.9728000       3.660000      0.9798000     -0.9913000       1.381000
  1 1 1     -36  -17    8 o    2.827000      0.6618000       2.163000 0.9012000       3.491000      0.9693000      -1.328000       1.324000
  1 1 1     -36  -17    9 o    4.163000      0.6460000       4.041000 0.9425000       4.285000      0.8836000     -0.2440000       1.292000
  1 1 1     -36  -16    1 o    3.180000      0.8167000       3.062000 1.144000       3.297000       1.166000     -0.2343000       1.633000
  1 1 1     -36  -16    2 o    4.673000      0.5854000       5.763000 0.6591000       3.582000      0.9677000       2.181000       1.171000
  1 1 1     -36  -16    3 o    5.344000      0.5134000       5.562000 0.7000000       5.126000      0.7511000      0.4364000       1.027000
  1 1 1     -36  -16    4 o    2.837000      0.6590000       3.565000 0.9595000       2.109000      0.9036000       1.455000       1.318000
  1 1 1     -36  -16    5 o    2.542000      0.6845000       2.538000 0.9736000       2.547000      0.9625000     -0.8212000E-02   1.369000
  1 1 1     -36  -16    6 o    3.684000      0.6629000       3.853000 0.9058000       3.514000      0.9682000      0.3393000       1.326000
  1 1 1     -36  -16    7 o    3.051000      0.6664000       3.530000 0.9129000       2.572000      0.9712000      0.9581000       1.333000
  1 1 1     -36  -16    8 o    3.251000      0.6852000       3.061000 0.9768000       3.442000      0.9612000     -0.3811000       1.370000
  1 1 1     -36  -16    9 o    4.307000      0.6057000       4.553000 0.8050000       4.061000      0.9052000      0.4926000       1.211000
  1 1 1     -36  -15    1 o    2.502000      0.7556000       2.534000 1.077000       2.470000       1.060000      0.6324000E-01   1.511000
  1 1 1     -36  -15    2 o    5.657000      0.6966000       6.930000 0.7859000       4.384000       1.150000       2.546000       1.393000
  1 1 1     -36  -15    3 o    5.475000      0.4959000       5.201000 0.7344000       5.749000      0.6665000     -0.5487000      0.9917000
  1 1 1     -36  -15    4 o    4.013000      0.6325000       4.006000 0.9038000       4.019000      0.8849000     -0.1320000E-01   1.265000
  1 1 1     -36  -15    5 o    2.545000      0.6840000       2.652000 0.9798000       2.438000      0.9547000      0.2144000       1.368000
  1 1 1     -36  -15    6 o    3.134000      0.6901000       3.193000 0.9644000       3.076000      0.9875000      0.1170000       1.380000
  1 1 1     -36  -15    7 o    2.517000      0.6820000       2.466000 0.9517000       2.569000      0.9771000     -0.1027000       1.364000
  1 1 1     -36  -15    8 o    5.840000      0.4579000       5.562000 0.6710000       6.117000      0.6234000     -0.5547000      0.9159000
  1 1 1     -36  -15    9 o    2.527000      0.6810000       2.259000 0.9284000       2.796000      0.9966000     -0.5370000       1.362000
  1 1 1     -36  -14    1 o    5.359000      0.6845000       5.891000 0.8651000       4.827000       1.061000       1.063000       1.369000
  1 1 1     -36  -14    2 o    6.174000      0.6243000       6.891000 0.7861000       5.457000      0.9701000       1.433000       1.249000
  1 1 1     -36  -14    3 o    6.357000      0.4354000       5.901000 0.6605000       6.814000      0.5676000     -0.9131000      0.8709000
  1 1 1     -36  -14    4 o    7.614000      0.3849000       8.124000 0.5350000       7.105000      0.5535000       1.019000      0.7698000
  1 1 1     -36  -14    5 o    2.820000      0.6714000       3.491000 0.9827000       2.149000      0.9152000       1.342000       1.343000
  1 1 1     -36  -14    6 o    5.173000      0.5640000       6.630000 0.5673000       3.716000      0.9749000       2.914000       1.128000
  1 1 1     -36  -14    7 o    6.572000      0.4178000       6.417000 0.5936000       6.728000      0.5882000     -0.3116000      0.8356000
  1 1 1     -36  -14    8 o    9.420000      0.3369000       9.451000 0.4761000       9.390000      0.4768000      0.6064000E-01  0.6739000
  1 1 1     -36  -14    9 o    5.406000      0.5031000       5.717000 0.6893000       5.096000      0.7329000      0.6211000       1.006000
  1 1 1     -36  -13    1 o    3.908000      0.8154000       3.612000 1.169000       4.203000       1.137000     -0.5912000       1.631000
  1 1 1     -36  -13    2 o    3.157000      0.7889000       2.575000 1.092000       3.740000       1.138000      -1.166000       1.578000
  1 1 1     -36  -13    3 o    3.705000      0.6490000       4.064000 0.8904000       3.346000      0.9443000      0.7179000       1.298000
  1 1 1     -36  -13    4 o    3.421000      0.6732000       3.127000 0.9948000       3.715000      0.9073000     -0.5874000       1.346000
  1 1 1     -36  -13    5 o    2.714000      0.6608000       2.080000 0.8941000       3.347000      0.9732000      -1.268000       1.322000
  1 1 1     -36  -13    6 o    3.769000      0.6267000       4.742000 0.7574000       2.796000      0.9988000       1.945000       1.253000
  1 1 1     -36  -13    7 o    4.073000      0.6164000       4.606000 0.7678000       3.539000      0.9645000       1.067000       1.233000
  1 1 1     -36  -13    8 o    8.194000      0.3651000       8.735000 0.4859000       7.652000      0.5450000       1.083000      0.7302000
  1 1 1     -36  -12    1 o    4.331000      0.7624000       5.344000 0.9937000       3.317000       1.157000       2.027000       1.525000
  1 1 1     -36  -12    2 o    3.401000      0.8096000       4.004000 1.176000       2.799000       1.113000       1.205000       1.619000
  1 1 1     -36  -12    3 o    4.544000      0.5720000       4.779000 0.7709000       4.310000      0.8453000      0.4684000       1.144000
  1 1 1     -36  -12    4 o    4.286000      0.5966000       4.042000 0.8895000       4.531000      0.7954000     -0.4894000       1.193000
  1 1 1     -36  -12    5 o    2.541000      0.6754000       2.388000 0.9378000       2.693000      0.9722000     -0.3049000       1.351000
  1 1 1     -36  -12    6 o    2.136000      0.6363000       2.345000 0.9382000       1.927000      0.8598000      0.4179000       1.273000
  1 1 1     -36  -12    7 o    3.533000      0.6561000       4.043000 0.8595000       3.024000      0.9915000       1.019000       1.312000
  1 1 1     -36  -12    8 o    7.835000      0.3728000       7.601000 0.5358000       8.070000      0.5184000     -0.4690000      0.7455000
  1 1 1     -36  -11    1 o    3.088000      0.8183000       2.942000 1.142000       3.234000       1.173000     -0.2921000       1.637000
  1 1 1     -36  -11    2 o    4.783000      0.6125000       5.268000 1.010000       4.299000      0.6937000      0.9692000       1.225000
  1 1 1     -36  -11    3 o    3.156000      0.6650000       3.336000 0.9306000       2.976000      0.9502000      0.3600000       1.330000
  1 1 1     -36  -11    4 o    2.539000      0.6532000       2.938000 0.9555000       2.140000      0.8908000      0.7982000       1.306000
  1 1 1     -36  -11    5 o    2.312000      0.6402000       2.100000 0.8794000       2.525000      0.9306000     -0.4250000       1.280000
  1 1 1     -36  -11    6 o    5.436000      0.4603000       5.289000 0.6703000       5.583000      0.6311000     -0.2938000      0.9207000
  1 1 1     -36  -11    7 f    5.297000      0.4783000       5.441000 0.6610000       5.153000      0.6916000      0.2880000      0.9567000
  1 1 1     -36  -10    1 o    3.403000      0.8060000       3.194000 1.141000       3.611000       1.139000     -0.4167000       1.612000
  1 1 1     -36  -10    2 o    2.632000      0.5863000       3.557000 0.8762000       1.707000      0.7792000       1.850000       1.173000
  1 1 1     -36  -10    3 o    3.501000      0.6286000       3.700000 0.8811000       3.302000      0.8967000      0.3977000       1.257000
  1 1 1     -36  -10    4 o    2.464000      0.6541000       2.560000 0.9367000       2.368000      0.9131000      0.1919000       1.308000
  1 1 1     -36  -10    5 o    2.268000      0.6229000       2.674000 0.9327000       1.861000      0.8258000      0.8138000       1.246000
  1 1 1     -36  -10    6 o    6.857000      0.3911000       6.798000 0.5708000       6.917000      0.5348000     -0.1191000      0.7822000
  1 1 1     -36   -9    1 o    3.479000      0.6955000       4.914000 1.017000       2.044000      0.9490000       2.870000       1.391000
  1 1 1     -36   -9    2 o    2.375000      0.6266000       1.980000 0.8438000       2.771000      0.9265000     -0.7909000       1.253000
  1 1 1     -36   -9    3 o    4.391000      0.5359000       4.033000 0.8242000       4.748000      0.6852000     -0.7142000       1.072000
  1 1 1     -36   -9    4 o    3.791000      0.6114000       3.510000 0.9074000       4.072000      0.8196000     -0.5615000       1.223000
  1 1 1     -36   -9    5 o    2.058000      0.6148000       1.932000 0.8458000       2.183000      0.8925000     -0.2510000       1.230000
  1 1 1     -36   -8    1 o    2.524000      0.7429000       2.776000 1.089000       2.272000       1.011000      0.5038000       1.486000
  1 1 1     -36   -8    2 o    1.748000      0.5605000       1.757000 0.7936000       1.739000      0.7917000      0.1764000E-01   1.121000
  1 1 1     -36   -8    3 o    3.248000      0.6548000       3.474000 0.9112000       3.023000      0.9405000      0.4511000       1.310000
  1 1 1     -35  -26    1 o    3.746000      0.6707000       4.398000 0.8557000       3.093000       1.033000       1.304000       1.341000
  1 1 1     -35  -26    2 o    2.861000      0.7023000       2.986000 0.9669000       2.735000       1.019000      0.2510000       1.405000
  1 1 1     -35  -26    3 o    2.779000      0.7060000       2.283000 0.9447000       3.276000       1.049000     -0.9931000       1.412000
  1 1 1     -35  -26    4 o    2.238000       1.022000       2.238000 1.022000                  ?              ?              ?              ?
  1 1 1     -35  -25    1 o    3.391000      0.6903000       3.757000 0.9030000       3.025000       1.044000      0.7323000       1.381000
  1 1 1     -35  -25    2 o    2.341000      0.6729000       2.384000 0.9431000       2.297000      0.9601000      0.8716000E-01   1.346000
  1 1 1     -35  -25    3 o    1.939000      0.6106000       1.595000 0.7485000       2.284000      0.9651000     -0.6892000       1.221000
  1 1 1     -35  -25    4 f    2.317000      0.6627000       2.606000 0.9573000       2.028000      0.9166000      0.5780000       1.325000
  1 1 1     -35  -25    5 o    2.617000      0.6923000       2.190000 0.9146000       3.043000       1.040000     -0.8534000       1.385000
  1 1 1     -35  -25    6 o    1.882000      0.6028000       2.053000 0.8892000       1.710000      0.8141000      0.3421000       1.206000
  1 1 1     -35  -24    1 o    3.840000      0.6700000       4.313000 0.8555000       3.367000       1.032000      0.9466000       1.340000
  1 1 1     -35  -24    2 o    3.873000      0.6735000       4.191000 0.8745000       3.555000       1.024000      0.6361000       1.347000
  1 1 1     -35  -24    3 o    2.203000      0.6581000       2.117000 0.9090000       2.289000      0.9519000     -0.1721000       1.316000
  1 1 1     -35  -24    4 o    2.519000      0.6859000       2.601000 0.9545000       2.437000      0.9853000      0.1639000       1.372000
  1 1 1     -35  -24    5 o    2.851000      0.6844000       3.406000 0.9610000       2.296000      0.9747000       1.110000       1.369000
  1 1 1     -35  -24    6 o    3.349000      0.6926000       3.909000 0.9174000       2.789000       1.038000       1.120000       1.385000
  1 1 1     -35  -24    7 o    4.076000      0.6627000       4.480000 0.8677000       3.672000       1.002000      0.8080000       1.325000
  1 1 1     -35  -24    8 o    3.868000       1.275000       3.868000 1.275000                  ?              ?              ?              ?
  1 1 1     -35  -23    1 o    3.717000      0.7012000       3.983000 0.9227000       3.451000       1.056000      0.5316000       1.402000
  1 1 1     -35  -23    2 o    2.875000      0.6524000       3.730000 0.9389000       2.020000      0.9061000       1.710000       1.305000
  1 1 1     -35  -23    3 o    3.190000      0.7230000       2.852000 0.9834000       3.528000       1.060000     -0.6757000       1.446000
  1 1 1     -35  -23    4 o    2.270000      0.6704000       2.406000 0.9475000       2.134000      0.9486000      0.2721000       1.341000
  1 1 1     -35  -23    5 o    1.723000      0.5712000       1.582000 0.7509000       1.863000      0.8611000     -0.2811000       1.142000
  1 1 1     -35  -23    6 o    2.271000      0.6673000       2.104000 0.8885000       2.439000      0.9958000     -0.3348000       1.335000
  1 1 1     -35  -23    7 o    2.936000      0.6985000       3.176000 0.9646000       2.695000       1.011000      0.4813000       1.397000
  1 1 1     -35  -23    8 o    6.279000      0.4553000       6.416000 0.6020000       6.142000      0.6832000      0.2742000      0.9106000
  1 1 1     -35  -23    9 o    2.639000      0.7641000       3.388000 1.252000       1.889000      0.8758000       1.499000       1.528000
  1 1 1     -35  -22    1 o    7.717000      0.3926000       6.661000 0.5703000       8.774000      0.5398000      -2.112000      0.7852000
  1 1 1     -35  -22    2 o    3.331000      0.6730000       4.080000 0.8734000       2.583000       1.024000       1.497000       1.346000
  1 1 1     -35  -22    3 o    3.288000      0.7021000       2.808000 0.9546000       3.769000       1.030000     -0.9612000       1.404000
  1 1 1     -35  -22    4 o    3.816000      0.7028000       3.785000 0.9290000       3.848000       1.055000     -0.6327000E-01   1.406000
  1 1 1     -35  -22    5 o    2.883000      0.7125000       2.428000 0.9379000       3.339000       1.073000     -0.9114000       1.425000
  1 1 1     -35  -22    6 o    3.395000      0.7176000       3.068000 0.9887000       3.721000       1.040000     -0.6529000       1.435000
  1 1 1     -35  -22    7 f    4.786000      0.6126000       4.719000 0.8202000       4.853000      0.9100000     -0.1339000       1.225000
  1 1 1     -35  -22    8 o    3.937000      0.6907000       3.855000 0.9460000       4.020000       1.007000     -0.1658000       1.381000
  1 1 1     -35  -22    9 o    3.212000      0.7210000       2.908000 1.017000       3.517000       1.022000     -0.6087000       1.442000
  1 1 1     -35  -22   10 o    3.060000      0.6331000       2.404000 0.9940000       3.715000      0.7843000      -1.311000       1.266000
  1 1 1     -35  -21    1 o    3.711000      0.7357000       3.480000 1.139000       3.941000      0.9318000     -0.4610000       1.471000
  1 1 1     -35  -21    2 o    2.829000      0.7229000       2.750000 0.9917000       2.909000       1.052000     -0.1590000       1.446000
  1 1 1     -35  -21    3 o    3.250000      0.7035000       2.791000 0.9958000       3.710000      0.9939000     -0.9196000       1.407000
  1 1 1     -35  -21    4 o    3.335000      0.7025000       2.982000 0.9581000       3.688000       1.028000     -0.7062000       1.405000
  1 1 1     -35  -21    5 o    2.282000      0.6694000       2.231000 0.9041000       2.334000      0.9874000     -0.1028000       1.339000
  1 1 1     -35  -21    6 o    3.686000      0.6367000       2.368000 0.9457000       5.005000      0.8527000      -2.637000       1.273000
  1 1 1     -35  -21    7 f    2.479000      0.6987000       2.220000 0.9316000       2.739000       1.041000     -0.5188000       1.397000
  1 1 1     -35  -21    8 o    3.054000      0.6832000       2.436000 0.9572000       3.673000      0.9752000      -1.237000       1.366000
  1 1 1     -35  -21    9 o    6.326000      0.4471000       6.336000 0.6167000       6.315000      0.6475000      0.2155000E-01  0.8942000
  1 1 1     -35  -21   10 o    2.238000      0.9353000       2.238000 0.9353000                  ?              ?              ?              ?
  1 1 1     -35  -20    1 o    2.580000      0.7487000       2.932000 1.094000       2.228000       1.022000      0.7042000       1.497000
  1 1 1     -35  -20    2 o    3.859000      0.6743000       3.885000 0.9458000       3.833000      0.9615000      0.5189000E-01   1.349000
  1 1 1     -35  -20    3 o    2.841000      0.7118000       2.801000 0.9953000       2.881000       1.018000     -0.7991000E-01   1.424000
  1 1 1     -35  -20    4 o    2.485000      0.6736000       2.846000 0.9888000       2.124000      0.9150000      0.7224000       1.347000
  1 1 1     -35  -20    5 o    2.478000      0.6679000       1.879000 0.8386000       3.078000       1.040000      -1.200000       1.336000
  1 1 1     -35  -20    6 o    2.939000      0.6822000       2.149000 0.9053000       3.729000       1.021000      -1.580000       1.364000
  1 1 1     -35  -20    7 o    4.617000      0.6113000       4.950000 0.7730000       4.284000      0.9473000      0.6662000       1.223000
  1 1 1     -35  -20    8 o    4.871000      0.5796000       5.527000 0.7034000       4.214000      0.9214000       1.313000       1.159000
  1 1 1     -35  -20    9 o    5.153000      0.5671000       5.905000 0.6601000       4.400000      0.9222000       1.505000       1.134000
  1 1 1     -35  -20   10 o    2.491000      0.7068000       2.724000 0.9967000       2.259000       1.002000      0.4655000       1.414000
  1 1 1     -35  -20   11 o    2.941000      0.7128000       2.978000 0.9886000       2.904000       1.027000      0.7311000E-01   1.426000
  1 1 1     -35  -19    1 o    3.180000      0.7834000       3.900000 1.143000       2.459000       1.071000       1.441000       1.567000
  1 1 1     -35  -19    2 o    5.414000      0.7217000       6.738000 0.8071000       4.090000       1.197000       2.648000       1.443000
  1 1 1     -35  -19    3 o    3.849000      0.6614000       4.437000 0.8505000       3.261000       1.013000       1.176000       1.323000
  1 1 1     -35  -19    4 o    2.764000      0.6878000       3.300000 1.000000       2.228000      0.9442000       1.071000       1.376000
  1 1 1     -35  -19    5 o    2.247000      0.6577000       1.772000 0.8120000       2.723000       1.035000     -0.9508000       1.315000
  1 1 1     -35  -19    6 o    2.985000      0.6955000       3.303000 0.9369000       2.667000       1.028000      0.6361000       1.391000
  1 1 1     -35  -19    7 o    4.291000      0.6283000       5.452000 0.7018000       3.130000       1.042000       2.322000       1.257000
  1 1 1     -35  -19    8 o    4.190000      0.6354000       4.612000 0.8277000       3.769000      0.9644000      0.8435000       1.271000
  1 1 1     -35  -19    9 o    2.755000      0.7101000       2.587000 0.9755000       2.924000       1.032000     -0.3365000       1.420000
  1 1 1     -35  -19   10 o    2.098000      0.6458000       2.006000 0.8839000       2.191000      0.9418000     -0.1852000       1.292000
  1 1 1     -35  -19   11 o    2.115000      0.6407000       1.973000 0.8784000       2.257000      0.9329000     -0.2841000       1.281000
  1 1 1     -35  -18    1 o    4.855000      0.5519000       4.495000 0.8228000       5.216000      0.7358000     -0.7216000       1.104000
  1 1 1     -35  -18    2 o    6.454000      0.6262000       7.278000 0.7500000       5.630000       1.003000       1.647000       1.252000
  1 1 1     -35  -18    3 o    3.959000      0.6396000       4.710000 0.7994000       3.209000      0.9986000       1.501000       1.279000
  1 1 1     -35  -18    4 o    3.196000      0.6985000       3.227000 0.9907000       3.165000      0.9850000      0.6159000E-01   1.397000
  1 1 1     -35  -18    5 o    3.348000      0.6920000       3.729000 0.9360000       2.967000       1.019000      0.7620000       1.384000
  1 1 1     -35  -18    6 o    2.320000      0.6494000       1.679000 0.7789000       2.961000       1.039000      -1.282000       1.299000
  1 1 1     -35  -18    7 o    3.080000      0.6616000       3.891000 0.9226000       2.268000      0.9486000       1.623000       1.323000
  1 1 1     -35  -18    8 o    3.133000      0.6906000       2.565000 0.9609000       3.702000      0.9922000      -1.137000       1.381000
  1 1 1     -35  -18    9 o    2.498000      0.6810000       2.734000 0.9838000       2.263000      0.9419000      0.4707000       1.362000
  1 1 1     -35  -18   10 o    1.834000      0.5950000       1.792000 0.8261000       1.877000      0.8565000     -0.8420000E-01   1.190000
  1 1 1     -35  -18   11 o    2.054000      0.6126000       2.603000 0.9788000       1.505000      0.7370000       1.098000       1.225000
  1 1 1     -35  -18   12 o    3.038000      0.7147000       3.098000 1.008000       2.977000       1.013000      0.1209000       1.429000
  1 1 1     -35  -17    1 f    2.725000      0.6928000       2.697000 0.9631000       2.752000      0.9962000     -0.5486000E-01   1.386000
  1 1 1     -35  -17    2 o    2.956000      0.7935000       2.516000 1.060000       3.395000       1.181000     -0.8792000       1.587000
  1 1 1     -35  -17    3 o    3.278000      0.6833000       2.894000 0.9756000       3.661000      0.9568000     -0.7670000       1.367000
  1 1 1     -35  -17    4 o    3.837000      0.6461000       4.666000 0.7891000       3.008000       1.023000       1.658000       1.292000
  1 1 1     -35  -17    5 o    2.413000      0.6740000       2.049000 0.8898000       2.776000       1.013000     -0.7270000       1.348000
  1 1 1     -35  -17    6 o    2.152000      0.6391000       2.431000 0.9400000       1.874000      0.8662000      0.5566000       1.278000
  1 1 1     -35  -17    7 o    3.207000      0.7046000       3.026000 0.9655000       3.388000       1.026000     -0.3624000       1.409000
  1 1 1     -35  -17    8 o    4.107000      0.6417000       4.312000 0.8583000       3.902000      0.9543000      0.4101000       1.283000
  1 1 1     -35  -17    9 o    5.230000      0.5317000       5.521000 0.6966000       4.939000      0.8034000      0.5826000       1.063000
  1 1 1     -35  -17   10 o    2.134000      0.6454000       1.755000 0.8145000       2.513000       1.001000     -0.7577000       1.291000
  1 1 1     -35  -17   11 o    2.894000      0.9858000       2.894000 0.9858000                  ?              ?              ?              ?
  1 1 1     -35  -17   12 o    3.322000      0.6814000       2.691000 0.9841000       3.952000      0.9428000      -1.262000       1.363000
  1 1 1     -35  -16    1 o    2.660000      0.6720000       2.209000 0.9160000       3.112000      0.9835000     -0.9025000       1.344000
  1 1 1     -35  -16    2 o    4.093000      0.8035000       4.060000 1.103000       4.126000       1.169000     -0.6568000E-01   1.607000
  1 1 1     -35  -16    3 o    3.796000      0.8119000       3.242000 1.132000       4.351000       1.164000      -1.109000       1.624000
  1 1 1     -35  -16    4 o    2.659000      0.6879000       3.020000 0.9944000       2.298000      0.9507000      0.7221000       1.376000
  1 1 1     -35  -16    5 o    4.431000      0.6025000       3.786000 0.9262000       5.076000      0.7708000      -1.290000       1.205000
  1 1 1     -35  -16    6 o    2.750000      0.6714000       3.290000 0.9490000       2.210000      0.9500000       1.080000       1.343000
  1 1 1     -35  -16    7 o    2.827000      0.6278000       1.769000 0.8126000       3.885000      0.9570000      -2.116000       1.256000
  1 1 1     -35  -16    8 o    6.483000      0.4384000       6.689000 0.6063000       6.277000      0.6335000      0.4124000      0.8769000
  1 1 1     -35  -16    9 o    4.337000      0.6198000       3.930000 0.9249000       4.745000      0.8253000     -0.8148000       1.240000
  1 1 1     -35  -16   10 o    2.151000      0.6417000       1.794000 0.8312000       2.509000      0.9779000     -0.7158000       1.283000
  1 1 1     -35  -16   11 o    1.687000      0.7876000       1.687000 0.7876000                  ?              ?              ?              ?
  1 1 1     -35  -16   12 o    2.379000      0.6483000       2.973000 1.004000       1.785000      0.8211000       1.189000       1.297000
  1 1 1     -35  -15    1 o    4.633000      0.5643000       5.265000 0.6832000       4.001000      0.8982000       1.264000       1.129000
  1 1 1     -35  -15    2 o    4.464000      0.5398000       4.123000 0.8186000       4.806000      0.7038000     -0.6829000       1.080000
  1 1 1     -35  -15    3 o    2.607000      0.7767000       2.333000 1.030000       2.880000       1.163000     -0.5477000       1.553000
  1 1 1     -35  -15    4 o    2.005000      0.6195000       2.271000 0.9370000       1.739000      0.8106000      0.5320000       1.239000
  1 1 1     -35  -15    5 o    7.027000      0.4103000       7.569000 0.5367000       6.485000      0.6208000       1.084000      0.8206000
  1 1 1     -35  -15    6 o    2.486000      0.6752000       2.853000 0.9866000       2.119000      0.9222000      0.7342000       1.350000
  1 1 1     -35  -15    7 o    2.042000      0.6269000       2.152000 0.8994000       1.932000      0.8737000      0.2207000       1.254000
  1 1 1     -35  -15    8 o    2.272000      0.6659000       2.204000 0.9338000       2.341000      0.9496000     -0.1370000       1.332000
  1 1 1     -35  -15    9 o    6.898000      0.4122000       6.804000 0.5956000       6.992000      0.5700000     -0.1879000      0.8244000
  1 1 1     -35  -15   10 o    6.254000      0.4433000       6.082000 0.6271000       6.425000      0.6269000     -0.3432000      0.8867000
  1 1 1     -35  -15   11 o    4.638000      0.5778000       4.863000 0.7437000       4.413000      0.8845000      0.4499000       1.156000
  1 1 1     -35  -15   12 o    3.820000      0.6638000       3.902000 0.9218000       3.739000      0.9555000      0.1621000       1.328000
  1 1 1     -35  -14    1 f    5.950000      0.4498000       5.739000 0.6643000       6.162000      0.6065000     -0.4234000      0.8996000
  1 1 1     -35  -14    2 o    6.538000      0.4332000       5.939000 0.6604000       7.136000      0.5608000      -1.197000      0.8664000
  1 1 1     -35  -14    3 o    2.728000      0.8003000       2.719000 1.119000       2.736000       1.145000     -0.1723000E-01   1.601000
  1 1 1     -35  -14    4 o    2.948000      0.6787000       3.467000 0.9596000       2.429000      0.9600000       1.039000       1.357000
  1 1 1     -35  -14    5 o    8.157000      0.3725000       8.479000 0.5143000       7.835000      0.5392000      0.6441000      0.7451000
  1 1 1     -35  -14    6 o    4.236000      0.6286000       4.353000 0.8580000       4.119000      0.9188000      0.2342000       1.257000
  1 1 1     -35  -14    7 o    3.879000      0.6660000       3.498000 0.9604000       4.259000      0.9230000     -0.7609000       1.332000
  1 1 1     -35  -14    8 f    4.115000      0.6386000       5.104000 0.7781000       3.126000       1.013000       1.978000       1.277000
  1 1 1     -35  -14    9 o    6.018000      0.4723000       5.721000 0.7119000       6.315000      0.6208000     -0.5939000      0.9446000
  1 1 1     -35  -14   10 o    5.366000      0.5297000       6.246000 0.6194000       4.485000      0.8594000       1.761000       1.059000
  1 1 1     -35  -14   11 o    5.893000      0.4671000       6.336000 0.6227000       5.449000      0.6965000      0.8868000      0.9343000
  1 1 1     -35  -14   12 o    2.270000      0.6673000       2.249000 0.9331000       2.291000      0.9541000     -0.4283000E-01   1.335000
  1 1 1     -35  -13    1 o    1.862000      0.5943000       1.680000 0.7883000       2.044000      0.8896000     -0.3644000       1.189000
  1 1 1     -35  -13    2 o    2.792000      0.6935000       2.993000 0.9881000       2.592000      0.9734000      0.4012000       1.387000
  1 1 1     -35  -13    3 o    6.256000      0.6556000       6.009000 0.8961000       6.504000      0.9573000     -0.4952000       1.311000
  1 1 1     -35  -13    4 o    6.447000      0.4372000       6.820000 0.5955000       6.075000      0.6402000      0.7448000      0.8744000
  1 1 1     -35  -13    5 o    5.094000      0.5610000       4.340000 0.9003000       5.848000      0.6697000      -1.509000       1.122000
  1 1 1     -35  -13    6 o    2.809000      0.7044000       2.745000 0.9947000       2.872000      0.9976000     -0.1266000       1.409000
  1 1 1     -35  -13    7 o    4.195000      0.6136000       4.022000 0.8743000       4.368000      0.8610000     -0.3458000       1.227000
  1 1 1     -35  -13    8 o    3.021000      0.6860000       3.599000 0.9850000       2.444000      0.9552000       1.155000       1.372000
  1 1 1     -35  -13    9 o    3.838000      0.6563000       2.981000 1.019000       4.696000      0.8274000      -1.714000       1.313000
  1 1 1     -35  -13   10 o    4.335000      0.6134000       4.957000 0.7503000       3.714000      0.9706000       1.243000       1.227000
  1 1 1     -35  -13   11 o    3.166000      0.6729000       2.473000 0.9646000       3.860000      0.9385000      -1.387000       1.346000
  1 1 1     -35  -13   12 o    2.174000      0.6291000       2.586000 0.9901000       1.761000      0.7764000      0.8258000       1.258000
  1 1 1     -35  -12    1 o    6.166000      0.4410000       6.691000 0.5729000       5.641000      0.6707000       1.050000      0.8820000
  1 1 1     -35  -12    2 o    7.758000      0.3705000       7.726000 0.5285000       7.790000      0.5193000     -0.6435000E-01  0.7410000
  1 1 1     -35  -12    3 o    3.117000      0.8202000       2.795000 1.115000       3.440000       1.204000     -0.6449000       1.640000
  1 1 1     -35  -12    4 o    2.409000      0.6525000       1.826000 0.8364000       2.992000       1.002000      -1.166000       1.305000
  1 1 1     -35  -12    5 o    3.873000      0.6511000       3.977000 0.9132000       3.770000      0.9283000      0.2069000       1.302000
  1 1 1     -35  -12    6 o    2.423000      0.6742000       2.518000 0.9659000       2.328000      0.9409000      0.1898000       1.348000
  1 1 1     -35  -12    7 f    2.680000      0.6890000       2.561000 0.9542000       2.799000      0.9943000     -0.2381000       1.378000
  1 1 1     -35  -12    8 o    3.234000      0.6867000       2.636000 0.9783000       3.833000      0.9640000      -1.197000       1.373000
  1 1 1     -35  -12    9 o    3.950000      0.6514000       4.077000 0.9302000       3.824000      0.9120000      0.2533000       1.303000
  1 1 1     -35  -12   10 o    6.453000      0.4321000       6.522000 0.5995000       6.384000      0.6223000      0.1378000      0.8642000
  1 1 1     -35  -12   11 o    2.065000      0.6338000       1.865000 0.8419000       2.264000      0.9477000     -0.3984000       1.268000
  1 1 1     -35  -12   12 o    2.376000      0.9492000       2.376000 0.9492000                  ?              ?              ?              ?
  1 1 1     -35  -11    1 o    6.950000      0.3819000       7.045000 0.5286000       6.854000      0.5513000      0.1915000      0.7638000
  1 1 1     -35  -11    2 f    3.162000      0.6845000       3.092000 0.9694000       3.231000      0.9667000     -0.1387000       1.369000
  1 1 1     -35  -11    3 o    3.459000      0.8355000       3.634000 1.179000       3.284000       1.185000      0.3504000       1.671000
  1 1 1     -35  -11    4 o    2.409000      0.6573000       2.861000 0.9988000       1.956000      0.8548000      0.9048000       1.315000
  1 1 1     -35  -11    5 o    3.156000      0.6948000       3.280000 0.9981000       3.032000      0.9669000      0.2478000       1.390000
  1 1 1     -35  -11    6 o    3.214000      0.6737000       2.938000 0.9888000       3.490000      0.9154000     -0.5518000       1.347000
  1 1 1     -35  -11    7 o    3.377000      0.6573000       3.855000 0.8667000       2.898000      0.9885000      0.9567000       1.315000
  1 1 1     -35  -11    8 o    3.264000      0.6861000       3.061000 0.9693000       3.466000      0.9712000     -0.4059000       1.372000
  1 1 1     -35  -11    9 o    3.450000      0.6605000       3.874000 0.9076000       3.027000      0.9598000      0.8477000       1.321000
  1 1 1     -35  -11   10 o    6.107000      0.4437000       6.839000 0.5705000       5.376000      0.6796000       1.463000      0.8873000
  1 1 1     -35  -11   11 o    2.854000      0.6984000       2.687000 0.9842000       3.021000      0.9912000     -0.3339000       1.397000
  1 1 1     -35  -10    1 o    4.721000      0.5084000       5.143000 0.6716000       4.300000      0.7634000      0.8431000       1.017000
  1 1 1     -35  -10    2 f    2.177000      0.6013000       2.148000 0.8688000       2.205000      0.8317000     -0.5711000E-01   1.203000
  1 1 1     -35  -10    3 o    2.581000      0.7581000       2.653000 1.083000       2.510000       1.061000      0.1434000       1.516000
  1 1 1     -35  -10    4 o    4.177000      0.5818000       4.602000 0.7873000       3.753000      0.8569000      0.8496000       1.164000
  1 1 1     -35  -10    5 o    2.011000      0.5982000       2.482000 0.9478000       1.541000      0.7299000      0.9403000       1.196000
  1 1 1     -35  -10    6 o    4.551000      0.5478000       4.847000 0.7544000       4.255000      0.7945000      0.5928000       1.096000
  1 1 1     -35  -10    7 o    2.134000      0.6264000       2.383000 0.9271000       1.886000      0.8426000      0.4970000       1.253000
  1 1 1     -35  -10    8 o    7.555000      0.3615000       7.389000 0.5168000       7.720000      0.5056000     -0.3307000      0.7230000
  1 1 1     -35  -10    9 o    2.465000      0.6547000       2.740000 0.9630000       2.190000      0.8874000      0.5507000       1.309000
  1 1 1     -35  -10   10 f    5.847000      0.4394000       5.697000 0.6477000       5.997000      0.5940000     -0.3001000      0.8789000
  1 1 1     -35  -10   11 o    2.473000      0.6668000       2.647000 0.9704000       2.298000      0.9148000      0.3486000       1.334000
  1 1 1     -35   -9    1 o    1.961000      0.5971000       2.083000 0.8613000       1.840000      0.8271000      0.2430000       1.194000
  1 1 1     -35   -9    2 o    4.313000      0.7992000       4.261000 1.161000       4.365000       1.099000     -0.1040000       1.598000
  1 1 1     -35   -9    3 o    3.048000      0.7936000       2.824000 1.105000       3.271000       1.139000     -0.4467000       1.587000
  1 1 1     -35   -9    4 o    2.816000      0.6574000       3.396000 0.9543000       2.235000      0.9046000       1.161000       1.315000
  1 1 1     -35   -9    5 o    4.432000      0.5410000       4.691000 0.7475000       4.174000      0.7822000      0.5176000       1.082000
  1 1 1     -35   -9    6 o    3.076000      0.6720000       3.423000 0.9561000       2.728000      0.9446000      0.6941000       1.344000
  1 1 1     -35   -9    7 o    4.683000      0.5240000       4.560000 0.7683000       4.805000      0.7127000     -0.2445000       1.048000
  1 1 1     -35   -9    8 o    8.327000      0.3531000       8.227000 0.5070000       8.428000      0.4918000     -0.2018000      0.7063000
  1 1 1     -35   -9    9 o    3.165000      0.6576000       3.569000 0.9232000       2.762000      0.9366000      0.8068000       1.315000
  1 1 1     -35   -9   10 o    4.750000      0.5512000       5.590000 0.6692000       3.911000      0.8761000       1.679000       1.102000
  1 1 1     -35   -8    1 o    1.789000      0.5647000       1.851000 0.8114000       1.727000      0.7858000      0.1241000       1.129000
  1 1 1     -35   -8    2 o    6.208000      0.6219000       6.253000 0.8781000       6.163000      0.8810000      0.9054000E-01   1.244000
  1 1 1     -35   -8    3 o    3.062000      0.5933000       4.058000 0.8069000       2.065000      0.8699000       1.993000       1.187000
  1 1 1     -35   -8    4 o    5.958000      0.4287000       5.656000 0.6432000       6.260000      0.5669000     -0.6044000      0.8574000
  1 1 1     -35   -8    5 o    7.024000      0.3707000       6.599000 0.5376000       7.450000      0.5107000     -0.8518000      0.7415000
  1 1 1     -35   -8    6 o    2.920000      0.6184000       2.193000 0.9048000       3.647000      0.8431000      -1.454000       1.237000
  1 1 1     -35   -8    7 o    3.206000      0.6529000       3.484000 0.8982000       2.929000      0.9478000      0.5543000       1.306000
  1 1 1     -35   -8    8 o    7.929000      0.3518000       7.646000 0.5073000       8.212000      0.4876000     -0.5660000      0.7036000
  1 1 1     -35   -8    9 o    3.074000      0.6424000       3.706000 0.8895000       2.441000      0.9271000       1.265000       1.285000
  1 1 1     -35   -7    1 f    2.951000      0.6615000       2.785000 0.9307000       3.118000      0.9402000     -0.3338000       1.323000
  1 1 1     -35   -7    2 o    3.422000      0.8085000       3.378000 1.128000       3.466000       1.158000     -0.8836000E-01   1.617000
  1 1 1     -35   -7    3 o    3.905000      0.5848000       4.085000 0.7836000       3.725000      0.8682000      0.3601000       1.170000
  1 1 1     -35   -7    4 o    3.449000      0.6455000       3.487000 0.9105000       3.410000      0.9154000      0.7656000E-01   1.291000
  1 1 1     -35   -7    5 o    3.135000      0.5824000       2.090000 0.8671000       4.180000      0.7777000      -2.090000       1.165000
  1 1 1     -35   -7    6 o    5.074000      0.4789000       5.803000 0.6119000       4.346000      0.7368000       1.456000      0.9577000
  1 1 1     -35   -7    7 f    1.883000      0.5892000       1.862000 0.8266000       1.903000      0.8398000     -0.4037000E-01   1.178000
  1 1 1     -35   -7    8 o    2.590000      0.6704000       2.252000 0.9188000       2.928000      0.9767000     -0.6765000       1.341000
  1 1 1     -35   -6    1 o    2.416000      0.7305000       2.360000 1.021000       2.472000       1.045000     -0.1121000       1.461000
  1 1 1     -35   -6    2 o    2.565000      0.7435000       2.977000 1.123000       2.153000      0.9746000      0.8239000       1.487000
  1 1 1     -35   -6    3 o    2.805000      0.6296000       2.382000 0.8972000       3.228000      0.8835000     -0.8465000       1.259000
  1 1 1     -35   -6    4 o    4.493000      0.5285000       4.543000 0.7380000       4.442000      0.7568000      0.1014000       1.057000
  1 1 1     -35   -6    5 o    5.662000      0.4228000       6.129000 0.5655000       5.196000      0.6289000      0.9324000      0.8457000
  1 1 1     -35   -6    6 o    5.116000      0.4759000       5.734000 0.6109000       4.499000      0.7300000       1.234000      0.9519000
  1 1 1     -35   -6    7 o    2.214000      0.6250000       1.853000 0.8297000       2.575000      0.9348000     -0.7217000       1.250000
  1 1 1     -35   -5    1 o    5.953000      0.5714000       6.056000 0.7940000       5.851000      0.8219000      0.2043000       1.143000
  1 1 1     -35   -5    2 o    5.385000      0.4213000       4.877000 0.6541000       5.894000      0.5311000      -1.017000      0.8425000
  1 1 1     -35   -5    3 o    4.684000      0.4987000       4.530000 0.7401000       4.839000      0.6686000     -0.3095000      0.9974000
  1 1 1     -35   -5    4 o    3.434000      0.6180000       3.523000 0.8729000       3.345000      0.8752000      0.1780000       1.236000
  1 1 1     -35   -5    5 o    5.968000      0.4068000       6.280000 0.5390000       5.656000      0.6093000      0.6235000      0.8135000
  1 1 1     -34  -28    1 o    2.879000      0.6569000       1.833000 0.8345000       3.926000       1.015000      -2.093000       1.314000
  1 1 1     -34  -28    2 o    2.932000      0.7048000       3.220000 0.9566000       2.644000       1.035000      0.5759000       1.410000
  1 1 1     -34  -28    3 o    1.955000      0.6229000       2.049000 0.9030000       1.861000      0.8582000      0.1877000       1.246000
  1 1 1     -34  -27    1 o    2.934000      0.6698000       2.236000 0.9105000       3.633000      0.9826000      -1.396000       1.340000
  1 1 1     -34  -27    2 o    3.093000      0.7216000       2.941000 1.006000       3.246000       1.035000     -0.3046000       1.443000
  1 1 1     -34  -27    3 o    2.203000      0.6546000       2.131000 0.8972000       2.275000      0.9535000     -0.1441000       1.309000
  1 1 1     -34  -27    4 o    1.907000      0.6132000       1.809000 0.8375000       2.005000      0.8960000     -0.1959000       1.226000
  1 1 1     -34  -27    5 o    2.204000      0.6467000       1.754000 0.8207000       2.655000      0.9998000     -0.9002000       1.293000
  1 1 1     -34  -27    6 o    2.839000      0.7310000       2.895000 1.007000       2.782000       1.060000      0.1124000       1.462000
  1 1 1     -34  -26    1 o    2.452000      0.6855000       2.408000 0.9677000       2.496000      0.9711000     -0.8789000E-01   1.371000
  1 1 1     -34  -26    2 o    2.597000      0.6640000       1.838000 0.8301000       3.356000       1.037000      -1.518000       1.328000
  1 1 1     -34  -26    3 o    2.777000      0.7196000       2.616000 0.9806000       2.939000       1.053000     -0.3230000       1.439000
  1 1 1     -34  -26    4 o    2.622000      0.7051000       2.557000 0.9712000       2.687000       1.022000     -0.1303000       1.410000
  1 1 1     -34  -26    5 o    2.320000      0.6794000       2.143000 0.9076000       2.498000       1.011000     -0.3550000       1.359000
  1 1 1     -34  -26    6 o    2.145000      0.6392000       1.691000 0.7913000       2.599000       1.004000     -0.9078000       1.278000
  1 1 1     -34  -26    7 o    2.245000      0.6540000       2.456000 0.9483000       2.035000      0.9010000      0.4211000       1.308000
  1 1 1     -34  -26    8 o    3.817000      0.9073000       3.817000 0.9073000                  ?              ?              ?              ?
  1 1 1     -34  -25    1 o    4.463000      0.6171000       5.390000 0.6462000       3.536000       1.051000       1.854000       1.234000
  1 1 1     -34  -25    2 o    2.192000      0.6565000       1.922000 0.8585000       2.463000      0.9934000     -0.5407000       1.313000
  1 1 1     -34  -25    3 o    3.652000      0.6886000       3.257000 0.9013000       4.046000       1.041000     -0.7889000       1.377000
  1 1 1     -34  -25    4 o    5.190000      0.5387000       4.420000 0.7946000       5.960000      0.7277000      -1.540000       1.077000
  1 1 1     -34  -25    5 o    2.663000      0.6868000       3.066000 0.9849000       2.261000      0.9574000      0.8049000       1.374000
  1 1 1     -34  -25    6 o    3.128000      0.6699000       2.207000 0.9170000       4.049000      0.9768000      -1.842000       1.340000
  1 1 1     -34  -25    7 o    4.751000      0.6176000       5.588000 0.6944000       3.913000       1.022000       1.675000       1.235000
  1 1 1     -34  -25    8 o    5.081000      0.5308000       5.417000 0.7319000       4.746000      0.7690000      0.6718000       1.062000
  1 1 1     -34  -25    9 o    4.314000      0.6206000       3.200000 1.017000       5.428000      0.7110000      -2.228000       1.241000
  1 1 1     -34  -25   10 o    4.339000       1.081000       4.339000 1.081000                  ?              ?              ?              ?
  1 1 1     -34  -24    1 o    2.849000      0.6980000       3.185000 0.9846000       2.513000      0.9896000      0.6714000       1.396000
  1 1 1     -34  -24    2 o    2.589000      0.7006000       2.682000 0.9788000       2.496000       1.003000      0.1862000       1.401000
  1 1 1     -34  -24    3 o    2.481000      0.6820000       2.786000 0.9773000       2.176000      0.9517000      0.6096000       1.364000
  1 1 1     -34  -24    4 o    4.011000      0.6611000       3.386000 0.9243000       4.635000      0.9455000      -1.250000       1.322000
  1 1 1     -34  -24    5 o    4.033000      0.6803000       3.775000 0.9523000       4.290000      0.9718000     -0.5150000       1.361000
  1 1 1     -34  -24    6 o    3.071000      0.7237000       2.954000 1.011000       3.189000       1.036000     -0.2353000       1.447000
  1 1 1     -34  -24    7 o    2.475000      0.6923000       2.490000 0.9742000       2.459000      0.9839000      0.3150000E-01   1.385000
  1 1 1     -34  -24    8 f    3.762000      0.6747000       4.148000 0.8561000       3.376000       1.043000      0.7720000       1.349000
  1 1 1     -34  -24    9 o    2.526000      0.6953000       2.331000 0.9373000       2.721000       1.027000     -0.3900000       1.391000
  1 1 1     -34  -24   10 o    2.532000       1.009000                  ?       ?   2.532000       1.009000                  ?              ?
  1 1 1     -34  -24   11 o    2.384000      0.6942000       2.373000 0.9771000       2.395000      0.9863000     -0.2226000E-01   1.388000
  1 1 1     -34  -23    1 o    1.707000      0.5710000       1.723000 0.8101000       1.692000      0.8050000      0.3172000E-01   1.142000
  1 1 1     -34  -23    2 o    3.299000      0.6825000       3.817000 0.8978000       2.781000       1.028000       1.036000       1.365000
  1 1 1     -34  -23    3 o    1.990000      0.6306000       1.953000 0.8692000       2.028000      0.9139000     -0.7440000E-01   1.261000
  1 1 1     -34  -23    4 o    2.571000      0.6976000       2.670000 0.9614000       2.471000       1.011000      0.1990000       1.395000
  1 1 1     -34  -23    5 o    4.624000      0.6105000       4.381000 0.8203000       4.867000      0.9044000     -0.4864000       1.221000
  1 1 1     -34  -23    6 o    5.598000      0.5423000       4.424000 0.8623000       6.773000      0.6578000      -2.349000       1.085000
  1 1 1     -34  -23    7 o    5.058000      0.5758000       5.118000 0.7476000       4.997000      0.8759000      0.1207000       1.152000
  1 1 1     -34  -23    8 o    2.607000      0.7172000       2.570000 0.9946000       2.644000       1.033000     -0.7401000E-01   1.434000
  1 1 1     -34  -23    9 f    3.585000      0.7243000       3.833000 0.9616000       3.338000       1.083000      0.4947000       1.449000
  1 1 1     -34  -23   10 o    2.862000      0.7247000       2.485000 0.9868000       3.239000       1.062000     -0.7535000       1.449000
  1 1 1     -34  -23   11 o    2.308000      0.6812000       1.987000 0.8987000       2.628000       1.024000     -0.6407000       1.362000
  1 1 1     -34  -23   12 o    2.756000      0.7860000       3.325000 1.245000       2.187000      0.9597000       1.138000       1.572000
  1 1 1     -34  -22    1 o    3.447000      0.7484000       4.542000 1.047000       2.353000       1.070000       2.189000       1.497000
  1 1 1     -34  -22    2 o    2.985000      0.7239000       3.051000 1.000000       2.920000       1.047000      0.1308000       1.448000
  1 1 1     -34  -22    3 o    4.131000      0.6570000       3.310000 1.007000       4.952000      0.8442000      -1.643000       1.314000
  1 1 1     -34  -22    4 o    2.121000      0.6436000       1.673000 0.7937000       2.568000       1.013000     -0.8950000       1.287000
  1 1 1     -34  -22    5 o    4.228000      0.6602000       4.707000 0.8221000       3.750000       1.033000      0.9564000       1.320000
  1 1 1     -34  -22    6 o    5.057000      0.5501000       4.917000 0.7811000       5.197000      0.7749000     -0.2806000       1.100000
  1 1 1     -34  -22    7 o    4.888000      0.5711000       5.025000 0.7373000       4.751000      0.8723000      0.2740000       1.142000
  1 1 1     -34  -22    8 o    3.791000      0.7070000       4.098000 0.9043000       3.484000       1.087000      0.6140000       1.414000
  1 1 1     -34  -22    9 o    6.312000      0.6252000       6.312000 0.6252000                  ?              ?              ?              ?
  1 1 1     -34  -22   10 o    2.212000      0.6472000       2.657000 0.9889000       1.766000      0.8350000      0.8906000       1.294000
  1 1 1     -34  -22   11 o    3.031000       1.030000                  ?       ?   3.031000       1.030000                  ?              ?
  1 1 1     -34  -22   12 o    3.531000      0.7140000       3.577000 1.024000       3.485000      0.9958000      0.9182000E-01   1.428000
  1 1 1     -34  -21    1 o    3.116000      0.7990000       3.598000 1.129000       2.634000       1.131000      0.9644000       1.598000
  1 1 1     -34  -21    2 o    3.283000      0.8170000       3.004000 1.105000       3.562000       1.204000     -0.5586000       1.634000
  1 1 1     -34  -21    3 o    4.796000      0.6105000       5.385000 0.7399000       4.208000      0.9713000       1.178000       1.221000
  1 1 1     -34  -21    4 o    2.902000      0.7321000       2.839000 1.016000       2.965000       1.054000     -0.1267000       1.464000
  1 1 1     -34  -21    5 f    3.025000      0.7320000       2.995000 1.019000       3.054000       1.051000     -0.5923000E-01   1.464000
  1 1 1     -34  -21    6 o    2.769000      0.6916000       3.314000 1.005000       2.224000      0.9503000       1.090000       1.383000
  1 1 1     -34  -21    7 f    5.533000      0.5331000       5.800000 0.6966000       5.265000      0.8073000      0.5349000       1.066000
  1 1 1     -34  -21    8 o    3.700000      0.7195000       3.895000 0.9580000       3.506000       1.074000      0.3886000       1.439000
  1 1 1     -34  -21    9 o    5.140000      0.7832000       5.140000 0.7832000                  ?              ?              ?              ?
  1 1 1     -34  -21   10 o    5.114000      0.5928000       4.079000 0.9618000       6.149000      0.6933000      -2.070000       1.186000
  1 1 1     -34  -21   11 o    3.725000       1.022000                  ?       ?   3.725000       1.022000                  ?              ?
  1 1 1     -34  -21   12 o    2.556000      0.6821000       2.110000 0.9174000       3.002000       1.010000     -0.8916000       1.364000
  1 1 1     -34  -21   13 o    2.367000      0.6678000       2.009000 0.8855000       2.726000      0.9999000     -0.7172000       1.336000
  1 1 1     -34  -20    1 o    4.112000      0.6644000       4.336000 0.8688000       3.887000       1.005000      0.4493000       1.329000
  1 1 1     -34  -20    2 o    3.971000      0.8189000       2.964000 1.148000       4.978000       1.168000      -2.013000       1.638000
  1 1 1     -34  -20    3 o    4.191000      0.6224000       4.963000 0.7529000       3.419000      0.9914000       1.543000       1.245000
  1 1 1     -34  -20    4 o    2.739000      0.7077000       2.359000 0.9618000       3.118000       1.038000     -0.7588000       1.415000
  1 1 1     -34  -20    5 o    2.230000      0.6736000       2.250000 0.9579000       2.210000      0.9474000      0.3978000E-01   1.347000
  1 1 1     -34  -20    6 o    3.222000      0.6787000       4.108000 0.9633000       2.335000      0.9563000       1.773000       1.357000
  1 1 1     -34  -20    7 o    6.661000      0.4390000       6.894000 0.6228000       6.427000      0.6188000      0.4675000      0.8780000
  1 1 1     -34  -20    8 o    3.718000      0.7074000       3.798000 0.9776000       3.637000       1.023000      0.1617000       1.415000
  1 1 1     -34  -20    9 o    5.297000      0.5592000       5.936000 0.6568000       4.658000      0.9053000       1.278000       1.118000
  1 1 1     -34  -20   10 o    3.474000      0.6959000       2.702000 1.003000       4.246000      0.9646000      -1.544000       1.392000
  1 1 1     -34  -20   11 o    2.702000      0.7190000       2.566000 0.9830000       2.839000       1.049000     -0.2722000       1.438000
  1 1 1     -34  -20   12 o    2.984000      0.6535000       4.015000 0.9670000       1.953000      0.8792000       2.061000       1.307000
  1 1 1     -34  -20   13 f    2.247000      0.6490000       2.803000 1.023000       1.691000      0.7993000       1.112000       1.298000
  1 1 1     -34  -20   14 o    4.352000      0.8185000       5.077000 1.095000       3.627000       1.217000       1.450000       1.637000
  1 1 1     -34  -19    1 o    2.747000      0.6763000       3.395000 0.9949000       2.100000      0.9165000       1.295000       1.353000
  1 1 1     -34  -19    2 o    2.751000      0.6351000       3.585000 0.9539000       1.917000      0.8386000       1.668000       1.270000
  1 1 1     -34  -19    3 f    2.819000      0.8021000       2.688000 1.104000       2.949000       1.164000     -0.2610000       1.604000
  1 1 1     -34  -19    4 o    2.371000      0.6788000       2.286000 0.9454000       2.455000      0.9742000     -0.1686000       1.358000
  1 1 1     -34  -19    5 o    2.067000      0.6409000       2.059000 0.9029000       2.075000      0.9099000     -0.1563000E-01   1.282000
  1 1 1     -34  -19    6 o    2.049000      0.6318000       1.721000 0.8139000       2.378000      0.9667000     -0.6561000       1.264000
  1 1 1     -34  -19    7 o    2.826000      0.7165000       2.794000 1.015000       2.858000       1.011000     -0.6370000E-01   1.433000
  1 1 1     -34  -19    8 o    1.923000      0.6150000       1.911000 0.8621000       1.936000      0.8772000     -0.2558000E-01   1.230000
  1 1 1     -34  -19    9 o    2.629000      0.6757000       3.228000 1.003000       2.029000      0.9054000       1.199000       1.351000
  1 1 1     -34  -19   10 o    4.222000      0.6308000       5.483000 0.7481000       2.961000       1.016000       2.522000       1.262000
  1 1 1     -34  -19   11 o    2.316000      0.6734000       2.516000 0.9816000       2.115000      0.9221000      0.4001000       1.347000
  1 1 1     -34  -19   12 o    2.499000      0.7025000       2.523000 0.9909000       2.475000      0.9962000      0.4809000E-01   1.405000
  1 1 1     -34  -19   13 o    2.667000      0.7053000       2.684000 1.007000       2.650000      0.9877000      0.3355000E-01   1.411000
  1 1 1     -34  -19   14 o    2.436000      0.6653000       1.915000 0.8680000       2.956000       1.009000      -1.041000       1.331000
  1 1 1     -34  -18    1 o    7.968000      0.3848000       7.330000 0.5697000       8.606000      0.5173000      -1.276000      0.7695000
  1 1 1     -34  -18    2 o    3.067000      0.6680000       3.812000 0.9300000       2.321000      0.9592000       1.491000       1.336000
  1 1 1     -34  -18    3 o    3.300000      0.8181000       2.539000 1.069000       4.061000       1.239000      -1.522000       1.636000
  1 1 1     -34  -18    4 o    2.791000      0.6729000       3.414000 0.9702000       2.169000      0.9327000       1.246000       1.346000
  1 1 1     -34  -18    5 o    3.100000      0.7108000       2.940000 0.9991000       3.261000       1.011000     -0.3216000       1.422000
  1 1 1     -34  -18    6 o    2.859000      0.7112000       3.092000 1.009000       2.625000       1.003000      0.4677000       1.422000
  1 1 1     -34  -18    7 o    2.220000      0.6549000       2.273000 0.9371000       2.166000      0.9150000      0.1069000       1.310000
  1 1 1     -34  -18    8 o    4.270000      0.6243000       4.951000 0.7473000       3.589000       1.000000       1.361000       1.249000
  1 1 1     -34  -18    9 o    3.910000      0.6634000       3.607000 0.9932000       4.213000      0.8796000     -0.6054000       1.327000
  1 1 1     -34  -18   10 o    3.918000      0.6373000       3.753000 0.9682000       4.082000      0.8288000     -0.3286000       1.275000
  1 1 1     -34  -18   11 o    3.007000      0.7068000       2.485000 0.9738000       3.528000       1.025000      -1.043000       1.414000
  1 1 1     -34  -18   12 f    2.902000      0.6949000       2.966000 0.9597000       2.838000       1.005000      0.1272000       1.390000
  1 1 1     -34  -18   13 o    3.272000      0.7089000       3.067000 1.026000       3.477000      0.9780000     -0.4098000       1.418000
  1 1 1     -34  -18   14 o    2.541000      0.6910000       2.214000 0.9320000       2.869000       1.021000     -0.6555000       1.382000
  1 1 1     -34  -17    1 o    7.781000      0.5354000       8.248000 0.7653000       7.314000      0.7488000      0.9334000       1.071000
  1 1 1     -34  -17    2 o    2.450000      0.6619000       1.932000 0.8500000       2.967000       1.015000      -1.036000       1.324000
  1 1 1     -34  -17    3 o    2.714000      0.7893000       2.812000 1.109000       2.616000       1.124000      0.1958000       1.579000
  1 1 1     -34  -17    4 o    4.157000      0.7998000       4.641000 1.034000       3.674000       1.221000      0.9665000       1.600000
  1 1 1     -34  -17    5 o    2.213000      0.6535000       2.447000 0.9586000       1.978000      0.8883000      0.4691000       1.307000
  1 1 1     -34  -17    6 o    5.703000      0.4832000       5.497000 0.6874000       5.909000      0.6794000     -0.4123000      0.9664000
  1 1 1     -34  -17    7 o    5.499000      0.4912000       5.204000 0.7253000       5.795000      0.6628000     -0.5917000      0.9825000
  1 1 1     -34  -17    8 o    4.592000      0.5867000       4.927000 0.8052000       4.256000      0.8534000      0.6709000       1.173000
  1 1 1     -34  -17    9 o    3.584000      0.7006000       3.884000 0.9272000       3.284000       1.051000      0.6007000       1.401000
  1 1 1     -34  -17   10 f    3.360000      0.9926000       3.360000 0.9926000                  ?              ?              ?              ?
  1 1 1     -34  -17   11 o    2.832000      0.7184000       2.929000 1.026000       2.734000       1.006000      0.1945000       1.437000
  1 1 1     -34  -17   12 o    2.182000      0.9281000                  ?       ?   2.182000      0.9281000                  ?              ?
  1 1 1     -34  -17   13 o    2.712000      0.6561000       1.966000 0.8838000       3.457000      0.9700000      -1.492000       1.312000
  1 1 1     -34  -17   14 o    2.902000      0.7118000       3.177000 1.007000       2.627000       1.006000      0.5499000       1.424000
  1 1 1     -34  -17   15 o    2.286000      0.7158000       2.597000 1.121000       1.976000      0.8899000      0.6210000       1.432000
  1 1 1     -34  -16    1 o    6.077000      0.6258000       6.165000 0.9106000       5.988000      0.8587000      0.1770000       1.252000
  1 1 1     -34  -16    2 o    3.634000      0.6742000       3.259000 0.9796000       4.009000      0.9265000     -0.7496000       1.348000
  1 1 1     -34  -16    3 o    6.131000      0.4642000       6.356000 0.6145000       5.906000      0.6959000      0.4504000      0.9284000
  1 1 1     -34  -16    4 f    7.093000      0.5871000       6.427000 0.8367000       7.759000      0.8239000      -1.332000       1.174000
  1 1 1     -34  -16    5 o    2.998000      0.7235000       2.825000 0.9994000       3.172000       1.047000     -0.3464000       1.447000
  1 1 1     -34  -16    6 o    4.086000      0.6544000       4.555000 0.8298000       3.617000       1.012000      0.9385000       1.309000
  1 1 1     -34  -16    7 o    2.150000      0.6570000       2.234000 0.9547000       2.066000      0.9030000      0.1676000       1.314000
  1 1 1     -34  -16    8 o    3.045000      0.7107000       2.590000 0.9862000       3.500000       1.024000     -0.9100000       1.421000
  1 1 1     -34  -16    9 o    3.026000      0.7261000       3.188000 1.010000       2.864000       1.043000      0.3240000       1.452000
  1 1 1     -34  -16   10 o    2.256000      0.6752000       1.902000 0.8679000       2.611000       1.035000     -0.7090000       1.350000
  1 1 1     -34  -16   11 o    2.926000      0.6968000       3.419000 0.9847000       2.434000      0.9862000      0.9846000       1.394000
  1 1 1     -34  -16   12 o    5.709000      0.5691000       5.911000 0.8729000       5.506000      0.7304000      0.4058000       1.138000
  1 1 1     -34  -16   13 o    2.244000      0.6631000       2.058000 0.9048000       2.430000      0.9697000     -0.3718000       1.326000
  1 1 1     -34  -16   14 o    3.080000      0.7112000       3.268000 1.012000       2.892000      0.9995000      0.3763000       1.422000
  1 1 1     -34  -16   15 o    2.202000      0.6384000       1.724000 0.8053000       2.680000      0.9909000     -0.9563000       1.277000
  1 1 1     -34  -15    1 o    5.578000      0.6947000       6.142000 0.9435000       5.014000       1.020000       1.128000       1.389000
  1 1 1     -34  -15    2 o    6.521000      0.4320000       6.449000 0.5980000       6.593000      0.6235000     -0.1443000      0.8639000
  1 1 1     -34  -15    3 o    8.082000      0.3730000       8.002000 0.5170000       8.161000      0.5378000     -0.1597000      0.7460000
  1 1 1     -34  -15    4 o    4.348000      0.8522000       3.494000 1.197000       5.201000       1.213000      -1.706000       1.704000
  1 1 1     -34  -15    5 o    4.884000      0.5946000       5.714000 0.6782000       4.053000      0.9768000       1.661000       1.189000
  1 1 1     -34  -15    6 o    6.339000      0.4632000       6.434000 0.6337000       6.245000      0.6759000      0.1885000      0.9265000
  1 1 1     -34  -15    7 o    2.808000      0.7148000       3.052000 1.023000       2.564000      0.9988000      0.4885000       1.430000
  1 1 1     -34  -15    8 o    2.010000      0.6296000       1.940000 0.8668000       2.080000      0.9132000     -0.1396000       1.259000
  1 1 1     -34  -15    9 f    2.605000      0.7072000       2.672000 0.9928000       2.538000       1.007000      0.1345000       1.414000
  1 1 1     -34  -15   10 o    3.704000      0.6834000       4.489000 0.8693000       2.918000       1.055000       1.571000       1.367000
  1 1 1     -34  -15   11 f    4.516000      0.6117000       3.878000 0.9456000       5.155000      0.7763000      -1.277000       1.223000
  1 1 1     -34  -15   12 o    6.312000      0.4607000       6.423000 0.6427000       6.201000      0.6604000      0.2224000      0.9215000
  1 1 1     -34  -15   13 o    4.502000      0.6066000       3.910000 0.9597000       5.094000      0.7421000      -1.183000       1.213000
  1 1 1     -34  -15   14 o    5.695000      0.4882000       6.255000 0.6422000       5.134000      0.7354000       1.121000      0.9763000
  1 1 1     -34  -15   15 o    3.142000      0.7110000       3.077000 1.004000       3.207000       1.007000     -0.1292000       1.422000
  1 1 1     -34  -14    1 o    4.600000      0.7642000       5.107000 1.009000       4.093000       1.148000       1.014000       1.528000
  1 1 1     -34  -14    2 o    6.757000      0.4680000       6.118000 0.6128000       7.397000      0.7076000      -1.278000      0.9360000
  1 1 1     -34  -14    3 o    6.786000      0.4489000       7.613000 0.5554000       5.959000      0.7054000       1.654000      0.8978000
  1 1 1     -34  -14    4 o    3.490000      0.8457000       2.668000 1.115000       4.311000       1.272000      -1.643000       1.691000
  1 1 1     -34  -14    5 o    3.487000      0.7036000       3.340000 0.9896000       3.635000       1.001000     -0.2943000       1.407000
  1 1 1     -34  -14    6 o    1.743000      0.5760000       1.844000 0.8430000       1.641000      0.7853000      0.2032000       1.152000
  1 1 1     -34  -14    7 o    3.012000      0.7247000       2.977000 1.008000       3.046000       1.041000     -0.6897000E-01   1.449000
  1 1 1     -34  -14    8 o    4.044000      0.6618000       3.705000 0.9896000       4.383000      0.8788000     -0.6777000       1.324000
  1 1 1     -34  -14    9 o    4.774000      0.5811000       4.287000 0.8750000       5.260000      0.7650000     -0.9730000       1.162000
  1 1 1     -34  -14   10 o    5.375000      0.5303000       5.184000 0.7794000       5.567000      0.7194000     -0.3824000       1.061000
  1 1 1     -34  -14   11 o    2.370000      0.6764000       2.155000 0.9268000       2.585000      0.9855000     -0.4301000       1.353000
  1 1 1     -34  -14   12 o    3.065000      0.7263000       3.172000 1.045000       2.957000       1.008000      0.2151000       1.453000
  1 1 1     -34  -14   13 o    9.263000      0.3588000       8.956000 0.5315000       9.569000      0.4822000     -0.6128000      0.7177000
  1 1 1     -34  -14   14 o    3.390000      0.7115000       3.574000 1.003000       3.206000       1.009000      0.3677000       1.423000
  1 1 1     -34  -14   15 o    3.027000      0.6234000       1.884000 0.8586000       4.170000      0.9041000      -2.285000       1.247000
  1 1 1     -34  -13    1 o    3.248000      0.8139000       3.939000 1.215000       2.558000       1.083000       1.381000       1.628000
  1 1 1     -34  -13    2 o    2.824000      0.7779000       3.468000 1.199000       2.180000      0.9913000       1.288000       1.556000
  1 1 1     -34  -13    3 o    5.724000      0.4816000       5.862000 0.6496000       5.585000      0.7111000      0.2768000      0.9631000
  1 1 1     -34  -13    4 o    5.263000      0.7860000       5.054000 1.044000       5.472000       1.175000     -0.4182000       1.572000
  1 1 1     -34  -13    5 o    4.553000      0.6647000       4.124000 1.127000       4.981000      0.7057000     -0.8563000       1.329000
  1 1 1     -34  -13    6 o    4.779000      0.5868000       4.008000 0.9226000       5.550000      0.7253000      -1.542000       1.174000
  1 1 1     -34  -13    7 o    2.302000      0.6747000       2.121000 0.9203000       2.484000      0.9868000     -0.3630000       1.349000
  1 1 1     -34  -13    8 o    4.540000      0.6282000       4.077000 0.9897000       5.003000      0.7739000     -0.9259000       1.256000
  1 1 1     -34  -13    9 o    2.369000      0.6649000       2.821000 1.010000       1.917000      0.8649000      0.9046000       1.330000
  1 1 1     -34  -13   10 f    3.921000      0.6690000       3.310000 1.017000       4.531000      0.8695000      -1.221000       1.338000
  1 1 1     -34  -13   11 o    6.687000      0.6265000       6.687000 0.6265000                  ?              ?              ?              ?
  1 1 1     -34  -13   12 o    4.064000      0.6679000       4.145000 0.9416000       3.983000      0.9475000      0.1623000       1.336000
  1 1 1     -34  -13   14 f    2.799000      0.6958000       3.168000 1.020000       2.431000      0.9462000      0.7372000       1.392000
  1 1 1     -34  -13   15 o    5.717000      0.4858000       5.888000 0.6532000       5.546000      0.7193000      0.3424000      0.9716000
  1 1 1     -34  -12    1 o    7.106000      0.5403000       6.973000 0.8080000       7.239000      0.7174000     -0.2666000       1.081000
  1 1 1     -34  -12    2 o    3.430000      0.8021000       4.323000 1.215000       2.538000       1.047000       1.786000       1.604000
  1 1 1     -34  -12    3 o    3.331000      0.6945000       3.550000 0.9666000       3.112000      0.9974000      0.4378000       1.389000
  1 1 1     -34  -12    4 o    5.680000      0.7286000       4.287000 1.146000       7.073000      0.9005000      -2.787000       1.457000
  1 1 1     -34  -12    5 o    10.35000      0.3148000       11.00000 0.4312000       9.694000      0.4587000       1.309000      0.6296000
  1 1 1     -34  -12    6 o    10.14000      0.3299000       10.06000 0.4579000       10.22000      0.4750000     -0.1696000      0.6598000
  1 1 1     -34  -12    7 o    2.108000      0.6382000       1.861000 0.8504000       2.355000      0.9518000     -0.4939000       1.276000
  1 1 1     -34  -12    8 o    3.387000      0.6567000       4.243000 0.8752000       2.531000      0.9795000       1.713000       1.313000
  1 1 1     -34  -12    9 o    3.505000      0.7002000       3.540000 0.9848000       3.469000      0.9957000      0.7119000E-01   1.400000
  1 1 1     -34  -12   10 o    2.972000      0.6990000       3.258000 0.9929000       2.685000      0.9841000      0.5733000       1.398000
  1 1 1     -34  -12   11 o    5.235000      0.7619000       5.235000 0.7619000                  ?              ?              ?              ?
  1 1 1     -34  -12   12 o    2.467000      0.6865000       2.559000 0.9989000       2.375000      0.9421000      0.1845000       1.373000
  1 1 1     -34  -12   13 o    5.139000      0.7582000                  ?       ?   5.139000      0.7582000                  ?              ?
  1 1 1     -34  -12   14 o    2.436000      0.6768000       2.351000 0.9520000       2.522000      0.9624000     -0.1716000       1.354000
  1 1 1     -34  -11    1 o    3.595000      0.7452000       2.625000 1.077000       4.566000       1.030000      -1.941000       1.490000
  1 1 1     -34  -11    2 o    6.691000      0.5571000       6.592000 0.8194000       6.790000      0.7551000     -0.1981000       1.114000
  1 1 1     -34  -11    3 o    4.649000      0.5689000       4.929000 0.7475000       4.369000      0.8579000      0.5596000       1.138000
  1 1 1     -34  -11    4 f    4.981000      0.7580000       4.127000 1.150000       5.835000      0.9881000      -1.708000       1.516000
  1 1 1     -34  -11    5 o    12.03000      0.3104000       11.77000 0.4361000       12.28000      0.4419000     -0.5133000      0.6209000
  1 1 1     -34  -11    6 o    8.212000      0.3604000       7.926000 0.5137000       8.499000      0.5056000     -0.5734000      0.7208000
  1 1 1     -34  -11    7 o    6.258000      0.4341000       6.327000 0.5977000       6.189000      0.6298000      0.1380000      0.8683000
  1 1 1     -34  -11    8 o    3.489000      0.6430000       4.273000 0.8225000       2.705000      0.9885000       1.568000       1.286000
  1 1 1     -34  -11    9 o    3.177000      0.6975000       3.255000 1.008000       3.098000      0.9650000      0.1570000       1.395000
  1 1 1     -34  -11   10 o    3.704000      0.6803000       3.939000 0.9434000       3.470000      0.9804000      0.4690000       1.361000
  1 1 1     -34  -11   11 o    1.859000      0.5957000       1.767000 0.8159000       1.950000      0.8683000     -0.1827000       1.191000
  1 1 1     -34  -11   12 f    2.942000      0.6217000       4.031000 0.9155000       1.852000      0.8414000       2.179000       1.243000
  1 1 1     -34  -11   13 o    3.029000      0.7088000       3.185000 1.009000       2.872000      0.9956000      0.3128000       1.418000
  1 1 1     -34  -11   14 o    4.454000      0.5829000       4.954000 0.7731000       3.954000      0.8725000       1.001000       1.166000
  1 1 1     -34  -10    1 f    2.768000      0.7161000       2.158000 0.9727000       3.378000       1.051000      -1.220000       1.432000
  1 1 1     -34  -10    2 o    5.724000      0.4360000       5.987000 0.5948000       5.462000      0.6377000      0.5255000      0.8720000
  1 1 1     -34  -10    3 o    5.987000      0.4240000       5.869000 0.6194000       6.104000      0.5791000     -0.2344000      0.8480000
  1 1 1     -34  -10    4 o    2.856000      0.7496000       3.589000 1.137000       2.123000      0.9770000       1.466000       1.499000
  1 1 1     -34  -10    5 o    8.187000      0.3464000       8.347000 0.4861000       8.026000      0.4935000      0.3214000      0.6927000
  1 1 1     -34  -10    6 o    6.449000      0.4096000       6.684000 0.5577000       6.214000      0.6000000      0.4696000      0.8192000
  1 1 1     -34  -10    7 f    6.400000      0.4172000       6.241000 0.5866000       6.559000      0.5933000     -0.3174000      0.8344000
  1 1 1     -34  -10    8 o    3.445000      0.6703000       2.972000 0.9932000       3.918000      0.9004000     -0.9465000       1.341000
  1 1 1     -34  -10    9 o    2.241000      0.6474000       2.204000 0.9150000       2.279000      0.9162000     -0.7501000E-01   1.295000
  1 1 1     -34  -10   10 o    2.813000      0.6920000       2.836000 0.9832000       2.790000      0.9739000      0.4663000E-01   1.384000
  1 1 1     -34  -10   11 o    3.015000      0.6439000       3.850000 0.9099000       2.179000      0.9112000       1.671000       1.288000
  1 1 1     -34  -10   12 o    2.691000      0.6812000       3.002000 0.9827000       2.381000      0.9436000      0.6210000       1.362000
  1 1 1     -34  -10   13 o    3.758000      0.6291000       4.298000 0.8400000       3.218000      0.9366000       1.080000       1.258000
  1 1 1     -34  -10   14 o    4.336000      0.5973000       3.593000 0.9738000       5.079000      0.6918000      -1.486000       1.195000
  1 1 1     -34   -9    1 o    4.501000      0.6808000       5.485000 0.8849000       3.518000       1.035000       1.967000       1.362000
  1 1 1     -34   -9    2 o    1.874000      0.5834000       2.098000 0.8806000       1.650000      0.7654000      0.4481000       1.167000
  1 1 1     -34   -9    3 o    3.825000      0.6197000       3.232000 0.9479000       4.419000      0.7986000      -1.187000       1.239000
  1 1 1     -34   -9    4 o    9.942000      0.4543000       9.877000 0.6233000       10.01000      0.6612000     -0.1313000      0.9087000
  1 1 1     -34   -9    5 o    10.88000      0.3132000       10.91000 0.4475000       10.86000      0.4384000      0.5602000E-01  0.6264000
  1 1 1     -34   -9    6 o    2.777000      0.6475000       3.533000 0.9548000       2.021000      0.8749000       1.512000       1.295000
  1 1 1     -34   -9    7 o    4.901000      0.5302000       4.560000 0.7951000       5.242000      0.7015000     -0.6822000       1.060000
  1 1 1     -34   -9    8 o    2.418000      0.6455000       1.903000 0.8496000       2.933000      0.9720000      -1.030000       1.291000
  1 1 1     -34   -9    9 o    6.978000      0.3880000       7.165000 0.5544000       6.791000      0.5429000      0.3741000      0.7760000
  1 1 1     -34   -9   10 o    3.268000      0.6818000       3.608000 0.9420000       2.929000      0.9858000      0.6788000       1.364000
  1 1 1     -34   -9   11 f    2.696000      0.6708000       2.162000 0.9087000       3.230000      0.9869000      -1.068000       1.342000
  1 1 1     -34   -9   12 o    3.119000      0.6465000       3.930000 0.8983000       2.307000      0.9300000       1.623000       1.293000
  1 1 1     -34   -9   13 o    5.042000      0.5192000       4.646000 0.7899000       5.438000      0.6740000     -0.7914000       1.038000
  1 1 1     -34   -8    1 o    5.022000      0.6486000       5.513000 0.8752000       4.532000      0.9575000      0.9806000       1.297000
  1 1 1     -34   -8    2 o    2.213000      0.6316000       2.020000 0.8633000       2.405000      0.9223000     -0.3853000       1.263000
  1 1 1     -34   -8    3 o    3.014000      0.5865000       2.668000 0.8879000       3.361000      0.7665000     -0.6925000       1.173000
  1 1 1     -34   -8    4 o    7.885000      0.5124000       7.000000 0.7488000       8.769000      0.6997000      -1.769000       1.025000
  1 1 1     -34   -8    5 o    5.538000      0.4560000       5.903000 0.6074000       5.173000      0.6803000      0.7304000      0.9120000
  1 1 1     -34   -8    6 o    3.332000      0.6156000       4.318000 0.7881000       2.346000      0.9460000       1.973000       1.231000
  1 1 1     -34   -8    7 o    2.954000      0.6665000       2.572000 0.9194000       3.336000      0.9653000     -0.7649000       1.333000
  1 1 1     -34   -8    8 o    3.015000      0.6168000       1.978000 0.8630000       4.051000      0.8815000      -2.073000       1.234000
  1 1 1     -34   -8    9 o    6.483000      0.4217000       5.887000 0.6448000       7.079000      0.5436000      -1.191000      0.8434000
  1 1 1     -34   -8   10 o    4.806000      0.5235000       4.945000 0.7372000       4.667000      0.7435000      0.2780000       1.047000
  1 1 1     -34   -8   11 o    3.273000      0.6680000       3.221000 0.9637000       3.325000      0.9252000     -0.1040000       1.336000
  1 1 1     -34   -8   12 o    2.139000      0.9022000       2.139000 0.9022000                  ?              ?              ?              ?
  1 1 1     -34   -8   13 o    2.555000      0.6261000       3.336000 0.9598000       1.774000      0.8041000       1.562000       1.252000
  1 1 1     -34   -7    1 o    9.903000      0.4131000       9.580000 0.5906000       10.23000      0.5779000     -0.6460000      0.8263000
  1 1 1     -34   -7    2 o    6.456000      0.3818000       6.211000 0.5487000       6.701000      0.5311000     -0.4898000      0.7636000
  1 1 1     -34   -7    3 o    2.868000      0.7912000       2.453000 1.048000       3.282000       1.186000     -0.8290000       1.582000
  1 1 1     -34   -7    4 o    3.216000      0.6436000       3.351000 0.8756000       3.081000      0.9434000      0.2701000       1.287000
  1 1 1     -34   -7    5 o    6.640000      0.3863000       6.695000 0.5391000       6.585000      0.5533000      0.1099000      0.7726000
  1 1 1     -34   -7    6 o    4.919000      0.5031000       5.249000 0.6659000       4.589000      0.7544000      0.6606000       1.006000
  1 1 1     -34   -7    7 f    3.284000      0.6496000       3.299000 0.8897000       3.269000      0.9467000      0.2902000E-01   1.299000
  1 1 1     -34   -7    8 o    3.572000      0.6111000       2.681000 0.9312000       4.464000      0.7914000      -1.783000       1.222000
  1 1 1     -34   -7    9 o    3.188000      0.6378000       2.471000 0.9349000       3.904000      0.8679000      -1.433000       1.276000
  1 1 1     -34   -7   10 o    8.707000      0.3267000       8.686000 0.4648000       8.727000      0.4592000     -0.4084000E-01  0.6534000
  1 1 1     -34   -7   11 o    2.600000      0.6351000       2.026000 0.8622000       3.173000      0.9328000      -1.148000       1.270000
  1 1 1     -34   -7   12 f    2.171000      0.6303000       1.959000 0.8588000       2.384000      0.9226000     -0.4250000       1.261000
  1 1 1     -34   -6    1 o    5.905000      0.4017000       5.886000 0.5718000       5.924000      0.5644000     -0.3737000E-01  0.8035000
  1 1 1     -34   -6    2 o    5.120000      0.4681000       4.764000 0.7249000       5.477000      0.5924000     -0.7131000      0.9362000
  1 1 1     -34   -6    3 o    4.052000      0.7628000       4.943000 0.9865000       3.160000       1.164000       1.784000       1.526000
  1 1 1     -34   -6    4 o    4.415000      0.5442000       5.204000 0.6494000       3.625000      0.8736000       1.579000       1.088000
  1 1 1     -34   -6    5 o    5.490000      0.4473000       5.566000 0.6351000       5.413000      0.6301000      0.1537000      0.8947000
  1 1 1     -34   -6    6 o    2.483000      0.6551000       2.730000 0.9505000       2.237000      0.9018000      0.4927000       1.310000
  1 1 1     -34   -6    7 o    4.179000      0.5832000       4.972000 0.6687000       3.387000      0.9557000       1.586000       1.166000
  1 1 1     -34   -6    8 o    2.711000      0.6540000       2.269000 0.8934000       3.153000      0.9553000     -0.8840000       1.308000
  1 1 1     -34   -6    9 o    6.162000      0.4174000       6.446000 0.5880000       5.877000      0.5926000      0.5691000      0.8348000
  1 1 1     -34   -6   10 o    3.281000      0.6154000       2.472000 0.9300000       4.090000      0.8062000      -1.618000       1.231000
  1 1 1     -34   -6   11 o    2.043000      0.6163000       2.051000 0.8717000       2.036000      0.8715000      0.1522000E-01   1.233000
  1 1 1     -34   -5    1 o    6.914000      0.3513000       6.899000 0.4842000       6.929000      0.5092000     -0.3059000E-01  0.7027000
  1 1 1     -34   -5    2 o    2.558000      0.7474000       2.449000 1.026000       2.668000       1.088000     -0.2189000       1.495000
  1 1 1     -34   -5    3 f    4.788000      0.7269000       4.568000 1.021000       5.008000       1.035000     -0.4394000       1.454000
  1 1 1     -34   -5    4 o    2.716000      0.5809000       1.800000 0.8101000       3.632000      0.8328000      -1.832000       1.162000
  1 1 1     -34   -5    5 o    6.728000      0.3754000       6.581000 0.5533000       6.875000      0.5075000     -0.2939000      0.7509000
  1 1 1     -34   -5    6 o    2.578000      0.6454000       2.681000 0.9098000       2.475000      0.9157000      0.2058000       1.291000
  1 1 1     -34   -5    7 o    4.957000      0.4686000       5.315000 0.5854000       4.600000      0.7318000      0.7150000      0.9372000
  1 1 1     -34   -5    8 o    2.612000      0.6358000       2.786000 0.8905000       2.439000      0.9076000      0.3470000       1.272000
  1 1 1     -34   -5    9 o    4.291000      0.5273000       4.721000 0.6573000       3.860000      0.8246000      0.8612000       1.055000
  1 1 1     -34   -5   10 o    2.349000      0.6238000       2.676000 0.9095000       2.022000      0.8540000      0.6539000       1.248000
  1 1 1     -34   -4    1 o    2.675000      0.6335000       2.095000 0.8400000       3.256000      0.9485000      -1.160000       1.267000
  1 1 1     -34   -4    2 f    4.644000      0.7307000       3.822000 1.106000       5.465000      0.9552000      -1.643000       1.461000
  1 1 1     -34   -4    3 o    3.624000      0.5938000       3.813000 0.8286000       3.435000      0.8509000      0.3772000       1.188000
  1 1 1     -34   -4    4 o    4.445000      0.5271000       4.834000 0.6816000       4.057000      0.8043000      0.7766000       1.054000
  1 1 1     -34   -4    5 o    4.371000      0.5204000       4.525000 0.7316000       4.217000      0.7403000      0.3083000       1.041000
  1 1 1     -34   -4    6 o    2.568000      0.6315000       2.183000 0.8849000       2.953000      0.9011000     -0.7695000       1.263000
  1 1 1     -34   -4    7 o    3.475000      0.6024000       3.523000 0.8489000       3.428000      0.8550000      0.9494000E-01   1.205000
  1 1 1     -34   -4    8 o    2.415000      0.6410000       2.632000 0.9314000       2.198000      0.8809000      0.4334000       1.282000
  1 1 1     -34   -4    9 o    2.445000      0.6545000       2.585000 0.9457000       2.304000      0.9052000      0.2810000       1.309000
  1 1 1     -34   -3    1 o    4.384000      0.7196000       3.200000 1.089000       5.568000      0.9414000      -2.368000       1.439000
  1 1 1     -34   -3    2 o    9.127000      0.2968000       8.791000 0.4133000       9.463000      0.4260000     -0.6720000      0.5935000
  1 1 1     -34   -3    3 o    6.833000      0.3534000       7.206000 0.4821000       6.459000      0.5169000      0.7469000      0.7069000
  1 1 1     -34   -3    4 o    4.155000      0.5439000       3.549000 0.8574000       4.760000      0.6697000      -1.211000       1.088000
  1 1 1     -34   -3    5 o    2.291000      0.6274000       2.320000 0.8910000       2.262000      0.8836000      0.5818000E-01   1.255000
  1 1 1     -34   -3    6 o    1.635000      0.5338000       1.865000 0.8242000       1.405000      0.6787000      0.4601000       1.068000
  1 1 1     -34   -3    7 f    2.431000      0.6488000       2.344000 0.9166000       2.518000      0.9184000     -0.1741000       1.298000
  1 1 1     -34   -2    1 o    3.895000      0.7340000       4.700000 0.9064000       3.090000       1.155000       1.609000       1.468000
  1 1 1     -34   -2    2 o    4.579000      0.4606000       4.854000 0.6102000       4.303000      0.6901000      0.5508000      0.9212000
  1 1 1     -34   -2    3 o    2.490000      0.5918000       1.951000 0.8216000       3.029000      0.8521000      -1.078000       1.184000
  1 1 1     -34   -2    4 o    7.225000      0.3383000       7.126000 0.4908000       7.325000      0.4659000     -0.1982000      0.6767000
  1 1 1     -33  -29    1 o    4.447000      0.6303000       3.942000 0.8572000       4.952000      0.9242000      -1.010000       1.261000
  1 1 1     -33  -29    2 f    4.688000      0.5908000       5.106000 0.7280000       4.270000      0.9307000      0.8361000       1.182000
  1 1 1     -33  -29    3 o    4.111000      0.6642000       4.459000 0.8535000       3.763000       1.018000      0.6959000       1.328000
  1 1 1     -33  -29    4 o    3.408000      0.7212000       3.487000 0.9989000       3.328000       1.040000      0.1596000       1.442000
  1 1 1     -33  -29    5 o    3.135000      0.7409000       2.555000 0.9978000       3.714000       1.096000      -1.158000       1.482000
  1 1 1     -33  -28    1 o    3.141000      0.7190000       3.414000 0.9564000       2.867000       1.074000      0.5465000       1.438000
  1 1 1     -33  -28    2 f    1.873000      0.6028000       1.432000 0.6927000       2.315000      0.9867000     -0.8829000       1.206000
  1 1 1     -33  -28    3 o    2.744000      0.7188000       2.752000 1.004000       2.737000       1.029000      0.1458000E-01   1.438000
  1 1 1     -33  -28    4 o    2.759000      0.6798000       3.308000 0.9663000       2.209000      0.9564000       1.098000       1.360000
  1 1 1     -33  -28    5 o    3.416000      0.6853000       2.520000 0.9915000       4.311000      0.9462000      -1.791000       1.371000
  1 1 1     -33  -28    6 o    2.410000      0.6857000       2.573000 0.9621000       2.246000      0.9773000      0.3266000       1.371000
  1 1 1     -33  -28    7 o    3.230000      0.6160000       4.373000 0.8195000       2.088000      0.9200000       2.285000       1.232000
  1 1 1     -33  -28    8 o    2.848000      0.7414000       2.312000 1.055000       3.384000       1.042000      -1.072000       1.483000
  1 1 1     -33  -27    1 o    2.873000      0.7054000       3.023000 0.9879000       2.724000       1.007000      0.2989000       1.411000
  1 1 1     -33  -27    2 o    4.033000      0.6657000       4.151000 0.8899000       3.916000      0.9902000      0.2355000       1.331000
  1 1 1     -33  -27    3 o    2.613000      0.6741000       3.141000 0.9800000       2.084000      0.9257000       1.058000       1.348000
  1 1 1     -33  -27    4 o    1.981000      0.6305000       1.896000 0.8696000       2.066000      0.9133000     -0.1696000       1.261000
  1 1 1     -33  -27    5 o    2.878000      0.7209000       2.930000 0.9847000       2.826000       1.053000      0.1036000       1.442000
  1 1 1     -33  -27    6 o    2.409000      0.6938000       2.587000 0.9846000       2.230000      0.9778000      0.3571000       1.388000
  1 1 1     -33  -27    7 o    1.841000      0.8380000       1.841000 0.8380000                  ?              ?              ?              ?
  1 1 1     -33  -27    8 o    2.191000      0.6586000       2.346000 0.9662000       2.036000      0.8954000      0.3098000       1.317000
  1 1 1     -33  -27    9 o    1.868000      0.8552000                  ?       ?   1.868000      0.8552000                  ?              ?
  1 1 1     -33  -27   10 o    3.104000       1.248000       3.104000 1.248000                  ?              ?              ?              ?
  1 1 1     -33  -26    1 o    3.997000      0.6641000       3.446000 0.9870000       4.548000      0.8886000      -1.102000       1.328000
  1 1 1     -33  -26    2 f    5.529000      0.5078000       5.643000 0.6618000       5.414000      0.7703000      0.2288000       1.016000
  1 1 1     -33  -26    3 o    2.402000      0.6758000       1.917000 0.8562000       2.886000       1.046000     -0.9691000       1.352000
  1 1 1     -33  -26    4 o    3.197000      0.7186000       3.184000 0.9803000       3.209000       1.051000     -0.2488000E-01   1.437000
  1 1 1     -33  -26    5 o    3.192000      0.7146000       2.625000 0.9855000       3.760000       1.035000      -1.135000       1.429000
  1 1 1     -33  -26    6 o    2.962000      0.7046000       2.959000 0.9784000       2.964000       1.014000     -0.4658000E-02   1.409000
  1 1 1     -33  -26    7 o    2.682000      0.9833000       2.682000 0.9833000                  ?              ?              ?              ?
  1 1 1     -33  -26    8 o    2.926000      0.7239000       3.064000 1.017000       2.788000       1.030000      0.2757000       1.448000
  1 1 1     -33  -26    9 o    3.752000       1.037000                  ?       ?   3.752000       1.037000                  ?              ?
  1 1 1     -33  -26   10 o    3.558000      0.6950000       4.321000 0.9399000       2.795000       1.024000       1.527000       1.390000
  1 1 1     -33  -26   11 o    2.430000      0.6966000       2.654000 1.020000       2.206000      0.9487000      0.4477000       1.393000
  1 1 1     -33  -25    1 o    3.011000      0.6823000       2.271000 0.9267000       3.751000       1.002000      -1.480000       1.365000
  1 1 1     -33  -25    2 o    5.157000      0.5379000       4.911000 0.7434000       5.403000      0.7777000     -0.4924000       1.076000
  1 1 1     -33  -25    3 o    1.607000      0.5449000       1.485000 0.7111000       1.729000      0.8257000     -0.2439000       1.090000
  1 1 1     -33  -25    4 o    2.772000      0.6896000       3.074000 0.9699000       2.469000      0.9805000      0.6051000       1.379000
  1 1 1     -33  -25    5 o    2.717000      0.6497000       1.894000 0.8475000       3.541000      0.9849000      -1.647000       1.299000
  1 1 1     -33  -25    6 o    2.753000      0.7034000       3.107000 1.011000       2.398000      0.9778000      0.7089000       1.407000
  1 1 1     -33  -25    7 o    2.340000      0.6851000       2.100000 0.9163000       2.580000       1.019000     -0.4792000       1.370000
  1 1 1     -33  -25    8 o    2.647000      0.7084000       2.824000 1.005000       2.470000      0.9988000      0.3538000       1.417000
  1 1 1     -33  -25    9 f    2.589000      0.6900000       3.187000 1.045000       1.992000      0.9019000       1.195000       1.380000
  1 1 1     -33  -25   10 f    5.793000      0.4982000       5.520000 0.7138000       6.065000      0.6953000     -0.5445000      0.9964000
  1 1 1     -33  -25   11 o    2.718000      0.7069000       2.914000 0.9988000       2.522000       1.000000      0.3915000       1.414000
  1 1 1     -33  -25   12 o    3.746000      0.6686000       3.271000 0.9419000       4.222000      0.9492000     -0.9506000       1.337000
  1 1 1     -33  -24    1 o    2.226000      0.6774000       2.457000 1.030000       1.995000      0.8802000      0.4621000       1.355000
  1 1 1     -33  -24    2 o    3.811000      0.6838000       3.944000 0.9143000       3.678000       1.017000      0.2660000       1.368000
  1 1 1     -33  -24    3 o    3.559000      0.7023000       3.977000 0.9297000       3.140000       1.053000      0.8374000       1.405000
  1 1 1     -33  -24    4 o    2.201000      0.6699000       2.120000 0.9179000       2.282000      0.9760000     -0.1623000       1.340000
  1 1 1     -33  -24    5 o    2.945000      0.7293000       3.079000 1.038000       2.811000       1.025000      0.2683000       1.459000
  1 1 1     -33  -24    6 o    2.142000      0.6571000       1.997000 0.8927000       2.287000      0.9644000     -0.2901000       1.314000
  1 1 1     -33  -24    7 o    2.182000      0.6563000       2.367000 0.9467000       1.997000      0.9093000      0.3706000       1.313000
  1 1 1     -33  -24    8 o    2.177000      0.6656000       2.288000 0.9514000       2.065000      0.9310000      0.2229000       1.331000
  1 1 1     -33  -24    9 o    2.664000      0.6883000       3.159000 0.9861000       2.170000      0.9605000      0.9889000       1.377000
  1 1 1     -33  -24   10 o    3.234000      0.7329000       3.335000 1.022000       3.133000       1.051000      0.2019000       1.466000
  1 1 1     -33  -24   11 o    2.802000      0.7199000       3.059000 1.022000       2.546000       1.014000      0.5131000       1.440000
  1 1 1     -33  -24   12 o    4.280000      0.6614000       4.185000 0.9019000       4.375000      0.9676000     -0.1902000       1.323000
  1 1 1     -33  -24   13 o    3.365000      0.7272000       2.884000 1.021000       3.847000       1.036000     -0.9630000       1.454000
  1 1 1     -33  -23    1 o    2.936000      0.8206000       2.687000 1.090000       3.185000       1.227000     -0.4981000       1.641000
  1 1 1     -33  -23    2 o    4.452000      0.6520000       4.373000 0.9700000       4.531000      0.8716000     -0.1579000       1.304000
  1 1 1     -33  -23    3 o    3.195000      0.7429000       3.010000 1.045000       3.381000       1.056000     -0.3715000       1.486000
  1 1 1     -33  -23    4 o    5.240000      0.5631000       5.311000 0.7793000       5.170000      0.8131000      0.1406000       1.126000
  1 1 1     -33  -23    5 f    3.704000      0.7074000       3.169000 1.046000       4.240000      0.9523000      -1.071000       1.415000
  1 1 1     -33  -23    6 o    2.642000      0.7086000       2.403000 0.9822000       2.880000       1.022000     -0.4777000       1.417000
  1 1 1     -33  -23    7 o    2.488000      0.6967000       2.312000 0.9601000       2.664000       1.010000     -0.3515000       1.393000
  1 1 1     -33  -23    8 o    2.270000      0.6459000       2.762000 1.015000       1.778000      0.7993000      0.9836000       1.292000
  1 1 1     -33  -23    9 o    2.214000      0.6561000       1.929000 0.8570000       2.499000      0.9937000     -0.5703000       1.312000
  1 1 1     -33  -23   10 o    2.713000      0.6658000       2.342000 0.8601000       3.084000       1.017000     -0.7418000       1.332000
  1 1 1     -33  -23   11 o    3.275000      0.7230000       3.408000 0.9991000       3.143000       1.045000      0.2649000       1.446000
  1 1 1     -33  -23   12 o    3.586000      0.7086000       3.813000 0.9629000       3.359000       1.040000      0.4534000       1.417000
  1 1 1     -33  -23   13 o    4.733000      0.6052000       4.827000 0.8101000       4.639000      0.8992000      0.1884000       1.210000
  1 1 1     -33  -23   14 o    3.005000      0.6558000       4.033000 0.9552000       1.976000      0.8989000       2.057000       1.312000
  1 1 1     -33  -22    1 o    2.196000      0.6702000       2.337000 0.9611000       2.055000      0.9342000      0.2818000       1.340000
  1 1 1     -33  -22    2 o    4.066000      0.8455000       4.014000 1.089000       4.118000       1.294000     -0.1043000       1.691000
  1 1 1     -33  -22    3 o    4.610000      0.6649000       4.693000 0.8774000       4.526000      0.9992000      0.1674000       1.330000
  1 1 1     -33  -22    4 o    6.620000      0.4795000       7.165000 0.5965000       6.075000      0.7509000       1.090000      0.9590000
  1 1 1     -33  -22    5 o    2.839000      0.7174000       3.077000 0.9959000       2.601000       1.033000      0.4753000       1.435000
  1 1 1     -33  -22    6 o    2.445000      0.6988000       2.705000 1.017000       2.185000      0.9588000      0.5194000       1.398000
  1 1 1     -33  -22    7 f    3.429000      0.7341000       3.197000 1.018000       3.660000       1.058000     -0.4631000       1.468000
  1 1 1     -33  -22    8 o    2.917000       1.044000       2.917000 1.044000                  ?              ?              ?              ?
  1 1 1     -33  -22    9 o    2.055000      0.6428000       2.423000 0.9994000       1.686000      0.8087000      0.7374000       1.286000
  1 1 1     -33  -22   10 o    3.435000       1.063000                  ?       ?   3.435000       1.063000                  ?              ?
  1 1 1     -33  -22   11 f    2.943000      0.7385000       3.291000 1.059000       2.595000       1.030000      0.6962000       1.477000
  1 1 1     -33  -22   12 o    3.285000      0.7082000       2.481000 0.9975000       4.089000       1.005000      -1.609000       1.416000
  1 1 1     -33  -22   13 o    3.578000      0.6710000       4.503000 0.8649000       2.653000       1.026000       1.850000       1.342000
  1 1 1     -33  -22   14 o    1.975000      0.6540000       1.898000 0.8715000       2.052000      0.9755000     -0.1543000       1.308000
  1 1 1     -33  -22   15 o    3.027000      0.7924000       3.005000 1.214000       3.049000       1.019000     -0.4335000E-01   1.585000
  1 1 1     -33  -21    1 o    4.721000      0.6153000       4.647000 0.8544000       4.795000      0.8857000     -0.1482000       1.231000
  1 1 1     -33  -21    2 o    2.211000      0.6484000       1.788000 0.8222000       2.634000       1.003000     -0.8458000       1.297000
  1 1 1     -33  -21    3 o    6.528000      0.6740000       6.514000 0.7807000       6.543000       1.099000     -0.2894000E-01   1.348000
  1 1 1     -33  -21    4 o    6.221000      0.5080000       6.640000 0.6260000       5.801000      0.8003000      0.8392000       1.016000
  1 1 1     -33  -21    5 o    2.713000      0.7176000       2.515000 0.9830000       2.910000       1.046000     -0.3949000       1.435000
  1 1 1     -33  -21    6 o    4.572000      0.6243000       4.362000 0.8847000       4.782000      0.8812000     -0.4208000       1.249000
  1 1 1     -33  -21    7 o    2.297000      0.6761000       2.097000 0.9149000       2.497000      0.9957000     -0.4008000       1.352000
  1 1 1     -33  -21    8 o    2.932000      0.7332000       3.148000 1.016000       2.716000       1.057000      0.4318000       1.466000
  1 1 1     -33  -21    9 o    2.191000      0.6517000       1.738000 0.8189000       2.645000       1.014000     -0.9065000       1.303000
  1 1 1     -33  -21   10 o    2.922000      0.7607000       2.739000 1.097000       3.106000       1.054000     -0.3671000       1.521000
  1 1 1     -33  -21   11 o    4.436000      0.6475000       4.664000 0.8714000       4.207000      0.9581000      0.4562000       1.295000
  1 1 1     -33  -21   12 o    2.590000      0.6986000       2.012000 0.9042000       3.168000       1.065000      -1.157000       1.397000
  1 1 1     -33  -21   13 o    2.416000      0.6956000       2.508000 0.9886000       2.324000      0.9789000      0.1837000       1.391000
  1 1 1     -33  -21   14 o    2.167000      0.6551000       2.450000 0.9781000       1.884000      0.8718000      0.5660000       1.310000
  1 1 1     -33  -21   15 o    3.591000      0.7082000       3.659000 0.9943000       3.522000       1.009000      0.1376000       1.416000
  1 1 1     -33  -20    1 o    4.874000      0.6837000       4.944000 0.7411000       4.803000       1.149000      0.1416000       1.367000
  1 1 1     -33  -20    2 o    3.410000      0.6954000       3.898000 0.9037000       2.923000       1.057000      0.9746000       1.391000
  1 1 1     -33  -20    3 o    2.942000      0.8257000       3.111000 1.138000       2.773000       1.197000      0.3374000       1.651000
  1 1 1     -33  -20    4 o    3.139000      0.8509000       2.801000 1.135000       3.477000       1.268000     -0.6761000       1.702000
  1 1 1     -33  -20    5 o    3.956000      0.6944000       3.681000 1.012000       4.232000      0.9513000     -0.5507000       1.389000
  1 1 1     -33  -20    6 o    5.940000      0.4912000       6.186000 0.6759000       5.694000      0.7129000      0.4923000      0.9824000
  1 1 1     -33  -20    7 o    2.471000      0.6842000       1.990000 0.8942000       2.953000       1.036000     -0.9631000       1.368000
  1 1 1     -33  -20    8 o    1.972000      0.6296000       2.086000 0.9170000       1.858000      0.8631000      0.2279000       1.259000
  1 1 1     -33  -20    9 o    2.491000      0.6979000       2.682000 1.016000       2.301000      0.9575000      0.3812000       1.396000
  1 1 1     -33  -20   10 o    4.360000      0.6394000       4.082000 0.9600000       4.638000      0.8449000     -0.5563000       1.279000
  1 1 1     -33  -20   11 o    3.202000      0.7190000       2.822000 1.044000       3.582000      0.9884000     -0.7599000       1.438000
  1 1 1     -33  -20   12 o    4.107000      0.6136000       5.738000 0.7124000       2.477000      0.9993000       3.262000       1.227000
  1 1 1     -33  -20   13 o    2.620000      0.7032000       2.784000 0.9974000       2.456000      0.9915000      0.3280000       1.406000
  1 1 1     -33  -20   14 o    2.517000      0.6984000       2.665000 1.008000       2.369000      0.9668000      0.2961000       1.397000
  1 1 1     -33  -20   15 o    3.696000      0.6962000       3.835000 0.9540000       3.557000       1.014000      0.2781000       1.392000
  1 1 1     -33  -20   16 o    3.441000      0.6579000       4.536000 0.8795000       2.346000      0.9788000       2.190000       1.316000
  1 1 1     -33  -19    1 o    5.562000      0.7429000       5.053000 1.175000       6.071000      0.9092000      -1.018000       1.486000
  1 1 1     -33  -19    2 f    5.207000      0.5434000       4.421000 0.8451000       5.992000      0.6835000      -1.571000       1.087000
  1 1 1     -33  -19    3 o    2.130000      0.6536000       2.302000 0.9584000       1.959000      0.8889000      0.3435000       1.307000
  1 1 1     -33  -19    4 o    6.225000      0.6733000       6.669000 0.8645000       5.782000       1.032000      0.8874000       1.347000
  1 1 1     -33  -19    5 o    2.647000      0.6953000       3.087000 1.021000       2.206000      0.9444000      0.8804000       1.391000
  1 1 1     -33  -19    6 o    3.471000      0.7074000       3.708000 0.9864000       3.234000       1.014000      0.4737000       1.415000
  1 1 1     -33  -19    7 o    6.531000      0.4712000       7.471000 0.5793000       5.590000      0.7433000       1.881000      0.9423000
  1 1 1     -33  -19    8 o    8.930000      0.3691000       9.236000 0.5004000       8.624000      0.5427000      0.6126000      0.7382000
  1 1 1     -33  -19    9 o    4.017000      0.6323000       5.363000 0.7368000       2.672000       1.028000       2.691000       1.265000
  1 1 1     -33  -19   10 o    3.143000      0.6762000       3.969000 0.9574000       2.316000      0.9553000       1.653000       1.352000
  1 1 1     -33  -19   11 o    5.198000      0.5768000       4.390000 0.9264000       6.005000      0.6874000      -1.615000       1.154000
  1 1 1     -33  -19   12 o    5.516000      0.5147000       5.280000 0.7510000       5.751000      0.7041000     -0.4715000       1.029000
  1 1 1     -33  -19   13 o    4.303000      0.6388000       4.752000 0.8459000       3.853000      0.9576000      0.8983000       1.278000
  1 1 1     -33  -19   14 o    2.890000      0.7265000       2.809000 0.9996000       2.971000       1.054000     -0.1618000       1.453000
  1 1 1     -33  -19   15 o    5.540000      0.5070000       5.486000 0.7060000       5.595000      0.7279000     -0.1082000       1.014000
  1 1 1     -33  -19   16 o    2.385000      0.6818000       2.084000 0.9181000       2.686000       1.008000     -0.6028000       1.364000
  1 1 1     -33  -18    1 o    5.189000      0.7518000       5.713000 1.045000       4.664000       1.081000       1.049000       1.504000
  1 1 1     -33  -18    2 o    4.560000      0.7562000       3.275000 1.205000       5.845000      0.9144000      -2.570000       1.512000
  1 1 1     -33  -18    3 o    5.331000      0.5239000       5.011000 0.7744000       5.650000      0.7059000     -0.6395000       1.048000
  1 1 1     -33  -18    4 o    4.761000      0.8114000       4.307000 1.151000       5.215000       1.144000     -0.9086000       1.623000
  1 1 1     -33  -18    5 o    4.686000      0.7879000       5.758000 0.9444000       3.615000       1.261000       2.144000       1.576000
  1 1 1     -33  -18    6 o    2.349000      0.6482000       1.597000 0.7647000       3.101000       1.047000      -1.504000       1.296000
  1 1 1     -33  -18    7 o    6.661000      0.4437000       7.387000 0.5656000       5.935000      0.6838000       1.451000      0.8874000
  1 1 1     -33  -18    8 o    3.626000      0.7193000       3.541000 0.9883000       3.711000       1.046000     -0.1698000       1.439000
  1 1 1     -33  -18    9 o    2.057000      0.9047000       2.057000 0.9047000                  ?              ?              ?              ?
  1 1 1     -33  -18   10 o    3.869000      0.6805000       3.338000 1.010000       4.399000      0.9124000      -1.060000       1.361000
  1 1 1     -33  -18   11 o    5.176000      0.7797000                  ?       ?   5.176000      0.7797000                  ?              ?
  1 1 1     -33  -18   12 o    2.392000      0.6872000       2.607000 1.005000       2.178000      0.9373000      0.4289000       1.374000
  1 1 1     -33  -18   13 o    6.256000      0.4644000       6.179000 0.6473000       6.333000      0.6661000     -0.1545000      0.9288000
  1 1 1     -33  -18   14 f    2.287000      0.6645000       1.935000 0.8731000       2.639000       1.002000     -0.7041000       1.329000
  1 1 1     -33  -18   15 o    3.724000      0.6643000       2.797000 1.009000       4.650000      0.8643000      -1.853000       1.329000
  1 1 1     -33  -18   16 o    4.213000      0.6362000       3.129000 1.023000       5.297000      0.7565000      -2.168000       1.272000
  1 1 1     -33  -18   17 o    2.369000      0.9946000                  ?       ?   2.369000      0.9946000                  ?              ?
  1 1 1     -33  -17    1 o    4.269000      0.6264000       4.171000 0.8756000       4.367000      0.8960000     -0.1957000       1.253000
  1 1 1     -33  -17    2 o    12.83000      0.4434000       12.74000 0.6454000       12.91000      0.6081000     -0.1734000      0.8868000
  1 1 1     -33  -17    3 o    10.74000      0.3262000       11.37000 0.4450000       10.10000      0.4772000       1.276000      0.6525000
  1 1 1     -33  -17    4 o    3.085000      0.7153000       3.314000 1.017000       2.856000       1.006000      0.4581000       1.431000
  1 1 1     -33  -17    5 o    6.298000      0.6952000       7.687000 0.7742000       4.910000       1.155000       2.777000       1.390000
  1 1 1     -33  -17    6 o    4.186000      0.6286000       3.188000 1.003000       5.184000      0.7578000      -1.996000       1.257000
  1 1 1     -33  -17    7 f    6.687000      0.4380000       6.904000 0.5948000       6.471000      0.6431000      0.4330000      0.8759000
  1 1 1     -33  -17    8 o    3.020000      0.7247000       2.956000 1.013000       3.084000       1.036000     -0.1276000       1.449000
  1 1 1     -33  -17    9 o    2.669000      0.9933000       2.669000 0.9933000                  ?              ?              ?              ?
  1 1 1     -33  -17   10 o    2.714000      0.7041000       3.015000 1.021000       2.413000      0.9699000      0.6021000       1.408000
  1 1 1     -33  -17   11 o    3.613000       1.029000                  ?       ?   3.613000       1.029000                  ?              ?
  1 1 1     -33  -17   12 o    3.232000      0.7074000       3.825000 0.9771000       2.639000       1.023000       1.186000       1.415000
  1 1 1     -33  -17   13 o    4.915000      0.5860000       4.631000 0.8843000       5.199000      0.7692000     -0.5683000       1.172000
  1 1 1     -33  -17   14 o    2.513000      0.6684000       1.889000 0.8614000       3.136000       1.022000      -1.248000       1.337000
  1 1 1     -33  -17   15 o    3.685000      0.6871000       3.270000 0.9905000       4.099000      0.9526000     -0.8288000       1.374000
  1 1 1     -33  -17   16 o    3.228000      0.7126000       3.769000 1.004000       2.687000       1.012000       1.082000       1.425000
  1 1 1     -33  -17   17 o    4.209000      0.6587000       4.502000 0.8991000       3.915000      0.9628000      0.5865000       1.317000
  1 1 1     -33  -16    1 o    7.286000      0.3866000       7.640000 0.5228000       6.932000      0.5696000      0.7072000      0.7732000
  1 1 1     -33  -16    2 o    13.87000      0.4315000       14.18000 0.6315000       13.57000      0.5881000      0.6108000      0.8629000
  1 1 1     -33  -16    3 o    5.856000      0.4684000       5.715000 0.6785000       5.997000      0.6460000     -0.2819000      0.9368000
  1 1 1     -33  -16    4 o    1.788000      0.5835000       1.837000 0.8332000       1.739000      0.8169000      0.9871000E-01   1.167000
  1 1 1     -33  -16    5 o    5.715000      0.7190000       6.580000 0.7990000       4.849000       1.196000       1.731000       1.438000
  1 1 1     -33  -16    6 o    3.209000      0.6903000       2.547000 0.9967000       3.872000      0.9553000      -1.325000       1.381000
  1 1 1     -33  -16    7 f    3.314000      0.7138000       3.387000 1.018000       3.241000       1.000000      0.1465000       1.428000
  1 1 1     -33  -16    8 o    3.245000      0.7062000       3.666000 0.9673000       2.824000       1.029000      0.8422000       1.412000
  1 1 1     -33  -16    9 f    1.888000      0.6150000       1.924000 0.8705000       1.852000      0.8689000      0.7220000E-01   1.230000
  1 1 1     -33  -16   10 o    2.938000      0.7211000       2.649000 1.007000       3.227000       1.032000     -0.5777000       1.442000
  1 1 1     -33  -16   11 o    2.736000      0.6393000       3.726000 0.9760000       1.746000      0.8258000       1.980000       1.279000
  1 1 1     -33  -16   12 o    2.908000      0.7216000       3.289000 1.046000       2.527000      0.9946000      0.7617000       1.443000
  1 1 1     -33  -16   13 o    3.845000      0.7007000       3.490000 1.012000       4.201000      0.9695000     -0.7110000       1.401000
  1 1 1     -33  -16   14 o    2.848000      0.6763000       3.566000 0.9876000       2.130000      0.9243000       1.436000       1.353000
  1 1 1     -33  -16   15 o    2.196000      0.6495000       2.632000 1.002000       1.761000      0.8265000      0.8714000       1.299000
  1 1 1     -33  -16   16 o    2.178000      0.6509000       2.298000 0.9403000       2.058000      0.9003000      0.2404000       1.302000
  1 1 1     -33  -16   17 o    8.296000      0.3714000       8.162000 0.5299000       8.431000      0.5205000     -0.2689000      0.7428000
  1 1 1     -33  -15    1 o    9.605000      0.3263000       9.984000 0.4466000       9.227000      0.4757000      0.7564000      0.6526000
  1 1 1     -33  -15    2 f    6.894000      0.5564000       6.894000 0.8312000       6.894000      0.7398000      0.4883000E-03   1.113000
  1 1 1     -33  -15    3 o    4.469000      0.7718000       3.659000 1.200000       5.280000      0.9706000      -1.621000       1.544000
  1 1 1     -33  -15    4 o    2.624000      0.6941000       2.836000 0.9936000       2.412000      0.9696000      0.4249000       1.388000
  1 1 1     -33  -15    5 o    5.280000      0.7824000       4.880000 1.128000       5.680000       1.084000     -0.7998000       1.565000
  1 1 1     -33  -15    6 o    6.255000      0.6741000       5.800000 0.9954000       6.710000      0.9094000     -0.9106000       1.348000
  1 1 1     -33  -15    7 o    3.033000      0.7249000       3.460000 1.037000       2.606000       1.013000      0.8542000       1.450000
  1 1 1     -33  -15    8 o    2.895000      0.7226000       2.570000 0.9876000       3.220000       1.055000     -0.6499000       1.445000
  1 1 1     -33  -15    9 o    2.849000      0.7162000       3.299000 1.025000       2.400000       1.000000      0.8997000       1.432000
  1 1 1     -33  -15   10 o    3.738000      0.6502000       2.535000 0.9930000       4.940000      0.8397000      -2.405000       1.300000
  1 1 1     -33  -15   11 o    3.189000      0.7251000       3.337000 1.006000       3.041000       1.045000      0.2962000       1.450000
  1 1 1     -33  -15   12 o    3.832000      0.7088000       4.139000 0.9634000       3.524000       1.040000      0.6150000       1.418000
  1 1 1     -33  -15   13 o    3.556000      0.7159000       3.933000 0.9882000       3.180000       1.036000      0.7525000       1.432000
  1 1 1     -33  -15   14 o    2.706000      0.7066000       2.463000 0.9785000       2.948000       1.020000     -0.4852000       1.413000
  1 1 1     -33  -15   15 o    3.172000      0.7022000       2.686000 1.003000       3.658000      0.9828000     -0.9721000       1.404000
  1 1 1     -33  -15   16 o    2.612000      0.6980000       2.357000 0.9586000       2.867000       1.015000     -0.5104000       1.396000
  1 1 1     -33  -15   17 f    5.375000      0.5106000       5.612000 0.6872000       5.138000      0.7553000      0.4740000       1.021000
  1 1 1     -33  -14    1 o    2.928000      0.7040000       2.546000 0.9922000       3.311000      0.9990000     -0.7655000       1.408000
  1 1 1     -33  -14    2 o    9.317000      0.4098000       9.879000 0.6711000       8.755000      0.4707000       1.123000      0.8197000
  1 1 1     -33  -14    3 o    6.102000      0.6188000       5.695000 0.9397000       6.509000      0.8054000     -0.8139000       1.238000
  1 1 1     -33  -14    4 o    2.571000      0.6902000       3.010000 1.015000       2.133000      0.9358000      0.8772000       1.380000
  1 1 1     -33  -14    5 o    4.716000      0.4843000       5.562000 0.5939000       3.870000      0.7652000       1.691000      0.9687000
  1 1 1     -33  -14    6 o    5.337000      0.7824000       5.198000 1.099000       5.476000       1.114000     -0.2777000       1.565000
  1 1 1     -33  -14    7 o    3.812000      0.6970000       3.905000 0.9809000       3.718000      0.9907000      0.1870000       1.394000
  1 1 1     -33  -14    8 o    3.268000      0.7200000       3.583000 0.9854000       2.953000       1.050000      0.6300000       1.440000
  1 1 1     -33  -14    9 o    2.908000      0.7328000       2.834000 1.021000       2.983000       1.051000     -0.1491000       1.466000
  1 1 1     -33  -14   10 o    3.952000      0.6488000       3.574000 0.9964000       4.329000      0.8312000     -0.7557000       1.298000
  1 1 1     -33  -14   11 o    5.598000      0.5312000       6.405000 0.6417000       4.790000      0.8468000       1.615000       1.062000
  1 1 1     -33  -14   12 o    3.110000      0.6708000       2.274000 0.9184000       3.947000      0.9781000      -1.673000       1.342000
  1 1 1     -33  -14   13 o    2.275000      0.6695000       2.525000 0.9957000       2.025000      0.8952000      0.4993000       1.339000
  1 1 1     -33  -14   14 o    2.951000      0.7024000       2.450000 0.9983000       3.452000      0.9885000      -1.002000       1.405000
  1 1 1     -33  -14   15 o    7.768000      0.3930000       7.815000 0.5696000       7.720000      0.5418000      0.9488000E-01  0.7861000
  1 1 1     -33  -14   16 o    3.069000      0.5947000       1.696000 0.7973000       4.442000      0.8825000      -2.746000       1.189000
  1 1 1     -33  -14   17 o    2.463000      0.6862000       2.278000 0.9478000       2.648000      0.9926000     -0.3705000       1.372000
  1 1 1     -33  -13    1 o    6.485000      0.4207000       6.287000 0.6125000       6.683000      0.5769000     -0.3953000      0.8415000
  1 1 1     -33  -13    2 o    11.25000      0.3226000       11.48000 0.4543000       11.02000      0.4583000      0.4591000      0.6453000
  1 1 1     -33  -13    3 o    2.854000      0.8071000       3.047000 1.175000       2.661000       1.107000      0.3861000       1.614000
  1 1 1     -33  -13    4 o    3.431000      0.6255000       4.616000 0.8209000       2.246000      0.9440000       2.370000       1.251000
  1 1 1     -33  -13    5 f    5.766000      0.4879000       5.390000 0.7608000       6.143000      0.6112000     -0.7538000      0.9759000
  1 1 1     -33  -13    6 o    2.785000      0.7979000       2.273000 1.028000       3.297000       1.220000      -1.025000       1.596000
  1 1 1     -33  -13    7 o    5.932000      0.4794000       6.395000 0.6149000       5.468000      0.7357000      0.9270000      0.9589000
  1 1 1     -33  -13    8 o    3.808000      0.6777000       3.595000 0.9847000       4.021000      0.9313000     -0.4255000       1.355000
  1 1 1     -33  -13    9 o    4.379000      0.6394000       3.948000 0.9487000       4.809000      0.8575000     -0.8611000       1.279000
  1 1 1     -33  -13   10 o    2.698000      0.9898000       2.698000 0.9898000                  ?              ?              ?              ?
  1 1 1     -33  -13   11 o    7.756000      0.3943000       7.484000 0.5733000       8.028000      0.5416000     -0.5435000      0.7887000
  1 1 1     -33  -13   12 o    3.073000       1.043000                  ?       ?   3.073000       1.043000                  ?              ?
  1 1 1     -33  -13   13 o    2.515000      0.6995000       2.653000 1.013000       2.377000      0.9651000      0.2765000       1.399000
  1 1 1     -33  -13   14 o    3.066000      0.7192000       2.897000 1.041000       3.234000      0.9929000     -0.3364000       1.438000
  1 1 1     -33  -13   15 o    2.534000      0.7021000       2.491000 0.9945000       2.577000      0.9913000     -0.8572000E-01   1.404000
  1 1 1     -33  -13   16 o    2.597000      0.7035000       2.887000 1.025000       2.306000      0.9642000      0.5804000       1.407000
  1 1 1     -33  -13   17 o    2.553000      0.6569000       1.893000 0.8556000       3.214000      0.9970000      -1.321000       1.314000
  1 1 1     -33  -12    1 o    3.628000      0.6774000       3.950000 0.9180000       3.307000      0.9965000      0.6431000       1.355000
  1 1 1     -33  -12    2 o    7.633000      0.3837000       7.720000 0.5490000       7.547000      0.5362000      0.1725000      0.7674000
  1 1 1     -33  -12    3 o    4.084000      0.8215000       4.413000 1.212000       3.755000       1.109000      0.6580000       1.643000
  1 1 1     -33  -12    4 o    2.648000      0.6982000       2.707000 0.9965000       2.589000      0.9783000      0.1187000       1.396000
  1 1 1     -33  -12    5 o    6.176000      0.4609000       6.647000 0.6019000       5.706000      0.6981000      0.9418000      0.9218000
  1 1 1     -33  -12    6 o    6.364000      0.6430000       6.033000 0.9443000       6.696000      0.8728000     -0.6629000       1.286000
  1 1 1     -33  -12    7 o    10.08000      0.3349000       9.478000 0.4870000       10.68000      0.4598000      -1.201000      0.6698000
  1 1 1     -33  -12    8 o    6.574000      0.4425000       6.244000 0.6556000       6.904000      0.5944000     -0.6600000      0.8850000
  1 1 1     -33  -12    9 o    3.958000      0.6627000       4.066000 0.8858000       3.850000      0.9860000      0.2163000       1.325000
  1 1 1     -33  -12   10 o    3.635000      0.6844000       3.785000 0.9256000       3.484000       1.008000      0.3010000       1.369000
  1 1 1     -33  -12   11 o    7.326000      0.4047000       7.312000 0.5771000       7.341000      0.5674000     -0.2871000E-01  0.8093000
  1 1 1     -33  -12   12 o    4.455000      0.7089000       4.479000 1.083000       4.431000      0.9148000      0.4789000E-01   1.418000
  1 1 1     -33  -12   13 o    2.827000      0.7062000       2.585000 0.9965000       3.069000       1.001000     -0.4841000       1.412000
  1 1 1     -33  -12   14 o    2.023000      0.6329000       2.110000 0.9259000       1.935000      0.8631000      0.1746000       1.266000
  1 1 1     -33  -12   15 o    3.972000      0.6486000       4.898000 0.8036000       3.046000       1.018000       1.852000       1.297000
  1 1 1     -33  -12   16 o    5.519000      0.5092000       6.364000 0.6058000       4.675000      0.8187000       1.690000       1.018000
  1 1 1     -33  -12   17 o    1.875000      0.5999000       1.655000 0.7852000       2.096000      0.9072000     -0.4408000       1.200000
  1 1 1     -33  -11    1 o    5.957000      0.4443000       5.705000 0.6452000       6.208000      0.6111000     -0.5031000      0.8887000
  1 1 1     -33  -11    2 o    6.537000      0.4264000       5.912000 0.6500000       7.162000      0.5522000      -1.249000      0.8528000
  1 1 1     -33  -11    3 o    5.344000      0.6864000       5.437000 1.025000       5.251000      0.9131000      0.1867000       1.373000
  1 1 1     -33  -11    4 o    6.170000      0.4446000       6.266000 0.6162000       6.074000      0.6410000      0.1923000      0.8892000
  1 1 1     -33  -11    5 f    7.382000      0.3675000       7.391000 0.5293000       7.372000      0.5099000      0.1952000E-01  0.7350000
  1 1 1     -33  -11    6 o    2.953000      0.7633000       3.811000 1.173000       2.095000      0.9766000       1.716000       1.527000
  1 1 1     -33  -11    7 o    8.909000      0.3527000       9.009000 0.4990000       8.810000      0.4987000      0.1995000      0.7054000
  1 1 1     -33  -11    8 o    3.151000      0.6937000       2.639000 1.008000       3.664000      0.9539000      -1.025000       1.387000
  1 1 1     -33  -11    9 o    3.756000      0.6563000       3.181000 0.9740000       4.330000      0.8800000      -1.150000       1.313000
  1 1 1     -33  -11   10 o    3.848000      0.6476000       4.211000 0.8302000       3.484000      0.9940000      0.7278000       1.295000
  1 1 1     -33  -11   11 o    3.314000      0.6956000       3.399000 0.9773000       3.228000      0.9900000      0.1714000       1.391000
  1 1 1     -33  -11   12 o    6.226000      0.4609000       5.463000 0.7295000       6.990000      0.5636000      -1.528000      0.9218000
  1 1 1     -33  -11   13 o    8.495000      0.3664000       8.138000 0.5391000       8.851000      0.4964000     -0.7130000      0.7328000
  1 1 1     -33  -11   14 o    2.727000      0.6802000       2.302000 0.9381000       3.151000      0.9852000     -0.8488000       1.360000
  1 1 1     -33  -11   15 f    4.737000      0.5760000       4.838000 0.8055000       4.637000      0.8235000      0.2007000       1.152000
  1 1 1     -33  -11   16 o    2.481000      0.6933000       2.490000 0.9780000       2.472000      0.9831000      0.1758000E-01   1.387000
  1 1 1     -33  -11   17 o    2.731000      0.7059000       2.525000 0.9725000       2.937000       1.023000     -0.4112000       1.412000
  1 1 1     -33  -10    1 o    4.528000      0.5567000       4.603000 0.7941000       4.452000      0.7805000      0.1506000       1.113000
  1 1 1     -33  -10    2 o    2.295000      0.6439000       2.448000 0.9310000       2.142000      0.8898000      0.3064000       1.288000
  1 1 1     -33  -10    3 o    6.253000      0.5921000       6.058000 0.9202000       6.448000      0.7453000     -0.3895000       1.184000
  1 1 1     -33  -10    4 o    11.46000      0.3105000       11.03000 0.4410000       11.89000      0.4373000     -0.8523000      0.6211000
  1 1 1     -33  -10    5 o    14.62000      0.4364000       14.03000 0.6068000       15.22000      0.6274000      -1.182000      0.8728000
  1 1 1     -33  -10    6 o    3.859000      0.8358000       3.952000 1.189000       3.767000       1.175000      0.1853000       1.672000
  1 1 1     -33  -10    7 o    5.922000      0.4650000       5.692000 0.6862000       6.151000      0.6276000     -0.4586000      0.9299000
  1 1 1     -33  -10    8 f    7.432000      0.3855000       7.780000 0.5252000       7.083000      0.5645000      0.6974000      0.7710000
  1 1 1     -33  -10    9 o    3.993000      0.6039000       5.260000 0.7019000       2.727000      0.9829000       2.532000       1.208000
  1 1 1     -33  -10   10 o    4.589000      0.5745000       4.520000 0.7923000       4.659000      0.8321000     -0.1396000       1.149000
  1 1 1     -33  -10   11 o    1.893000      0.6030000       1.709000 0.7900000       2.077000      0.9111000     -0.3681000       1.206000
  1 1 1     -33  -10   12 o    5.772000      0.4608000       5.962000 0.6371000       5.581000      0.6659000      0.3808000      0.9216000
  1 1 1     -33  -10   13 o    6.636000      0.4476000       6.026000 0.6934000       7.246000      0.5660000      -1.221000      0.8951000
  1 1 1     -33  -10   14 f    4.145000      0.6082000       2.820000 1.017000       5.470000      0.6675000      -2.649000       1.216000
  1 1 1     -33  -10   15 o    4.674000      0.5421000       5.288000 0.6801000       4.061000      0.8443000       1.228000       1.084000
  1 1 1     -33  -10   16 o    2.508000      0.6467000       2.005000 0.8856000       3.010000      0.9427000      -1.005000       1.293000
  1 1 1     -33   -9    1 o    6.158000      0.3957000       5.880000 0.5833000       6.436000      0.5349000     -0.5554000      0.7914000
  1 1 1     -33   -9    2 o    6.623000      0.5009000       6.222000 0.7837000       7.024000      0.6239000     -0.8020000       1.002000
  1 1 1     -33   -9    3 o    8.968000      0.4256000       8.849000 0.6325000       9.087000      0.5696000     -0.2373000      0.8512000
  1 1 1     -33   -9    4 o    14.42000      0.2987000       14.52000 0.4228000       14.31000      0.4221000      0.2073000      0.5975000
  1 1 1     -33   -9    5 o    14.31000      0.4348000       14.78000 0.6067000       13.85000      0.6231000      0.9301000      0.8696000
  1 1 1     -33   -9    6 o    5.864000      0.6643000       5.911000 0.9363000       5.816000      0.9426000      0.9448000E-01   1.329000
  1 1 1     -33   -9    7 o    2.948000      0.6825000       2.730000 0.9724000       3.166000      0.9579000     -0.4353000       1.365000
  1 1 1     -33   -9    8 o    6.434000      0.4006000       6.262000 0.5778000       6.607000      0.5551000     -0.3445000      0.8013000
  1 1 1     -33   -9    9 o    2.481000      0.6606000       2.155000 0.8966000       2.806000      0.9704000     -0.6511000       1.321000
  1 1 1     -33   -9   10 o    3.637000      0.6294000       2.742000 0.9798000       4.532000      0.7904000      -1.790000       1.259000
  1 1 1     -33   -9   11 o    1.690000      0.7900000       1.690000 0.7900000                  ?              ?              ?              ?
  1 1 1     -33   -9   12 f    5.234000      0.4880000       5.347000 0.6806000       5.120000      0.6994000      0.2264000      0.9759000
  1 1 1     -33   -9   13 o    2.339000      0.9361000                  ?       ?   2.339000      0.9361000                  ?              ?
  1 1 1     -33   -9   14 o    6.774000      0.4148000       7.149000 0.5827000       6.399000      0.5905000      0.7502000      0.8296000
  1 1 1     -33   -9   15 o    5.387000      0.4975000       5.986000 0.6377000       4.788000      0.7638000       1.198000      0.9951000
  1 1 1     -33   -9   16 o    3.642000      0.6411000       3.202000 0.9637000       4.081000      0.8458000     -0.8790000       1.282000
  1 1 1     -33   -8    1 o    6.759000      0.3716000       6.611000 0.5388000       6.907000      0.5118000     -0.2959000      0.7432000
  1 1 1     -33   -8    2 o    5.161000      0.6303000       5.049000 0.9625000       5.272000      0.8142000     -0.2230000       1.261000
  1 1 1     -33   -8    3 o    6.892000      0.3680000       6.528000 0.5567000       7.256000      0.4814000     -0.7284000      0.7360000
  1 1 1     -33   -8    4 o    8.905000      0.3276000       8.983000 0.4589000       8.826000      0.4678000      0.1568000      0.6553000
  1 1 1     -33   -8    5 f    4.854000      0.7217000       3.501000 1.145000       6.207000      0.8792000      -2.706000       1.443000
  1 1 1     -33   -8    6 o    6.070000      0.4303000       5.659000 0.6496000       6.481000      0.5644000     -0.8216000      0.8605000
  1 1 1     -33   -8    7 o    3.247000      0.6108000       2.270000 0.9221000       4.224000      0.8014000      -1.954000       1.222000
  1 1 1     -33   -8    8 f    4.694000      0.5470000       4.025000 0.8744000       5.363000      0.6574000      -1.338000       1.094000
  1 1 1     -33   -8    9 o    1.876000      0.5848000       1.546000 0.7389000       2.207000      0.9065000     -0.6610000       1.170000
  1 1 1     -33   -8   10 o    5.979000      0.4431000       6.388000 0.5846000       5.569000      0.6659000      0.8189000      0.8861000
  1 1 1     -33   -8   11 o    6.854000      0.5578000       6.854000 0.5578000                  ?              ?              ?              ?
  1 1 1     -33   -8   12 o    4.173000      0.6232000       4.226000 0.8899000       4.119000      0.8728000      0.1062000       1.246000
  1 1 1     -33   -8   13 o    2.429000      0.9434000                  ?       ?   2.429000      0.9434000                  ?              ?
  1 1 1     -33   -8   14 o    6.230000      0.4374000       5.765000 0.6858000       6.695000      0.5431000     -0.9306000      0.8748000
  1 1 1     -33   -8   15 o    5.153000      0.4979000       5.145000 0.7325000       5.161000      0.6746000     -0.1561000E-01  0.9958000
  1 1 1     -33   -7    1 o    1.895000      0.5854000       1.951000 0.8467000       1.838000      0.8086000      0.1130000       1.171000
  1 1 1     -33   -7    2 o    3.349000      0.7328000       3.148000 1.052000       3.550000       1.020000     -0.4024000       1.466000
  1 1 1     -33   -7    3 f    4.508000      0.5181000       4.528000 0.7424000       4.489000      0.7228000      0.3900000E-01   1.036000
  1 1 1     -33   -7    4 o    5.717000      0.4447000       5.731000 0.6297000       5.703000      0.6281000      0.2816000E-01  0.8894000
  1 1 1     -33   -7    5 o    4.555000      0.7469000       4.861000 0.9786000       4.250000       1.129000      0.6108000       1.494000
  1 1 1     -33   -7    6 o    7.044000      0.3800000       7.096000 0.5217000       6.992000      0.5527000      0.1040000      0.7600000
  1 1 1     -33   -7    7 o    8.446000      0.3351000       8.661000 0.4698000       8.230000      0.4779000      0.4303000      0.6702000
  1 1 1     -33   -7    8 o    2.193000      0.6350000       2.076000 0.8802000       2.311000      0.9157000     -0.2357000       1.270000
  1 1 1     -33   -7    9 o    4.877000      0.5064000       5.339000 0.6568000       4.414000      0.7710000      0.9250000       1.013000
  1 1 1     -33   -7   10 o    3.975000      0.6251000       4.169000 0.8310000       3.781000      0.9340000      0.3884000       1.250000
  1 1 1     -33   -7   11 o    3.434000      0.6470000       4.191000 0.8423000       2.678000      0.9824000       1.513000       1.294000
  1 1 1     -33   -7   12 o    4.080000      0.6233000       4.476000 0.8115000       3.685000      0.9463000      0.7915000       1.247000
  1 1 1     -33   -7   13 o    4.051000      0.6023000       2.712000 0.9872000       5.390000      0.6902000      -2.678000       1.205000
  1 1 1     -33   -7   14 o    3.651000      0.6464000       4.143000 0.8488000       3.158000      0.9751000      0.9847000       1.293000
  1 1 1     -33   -7   15 o    2.855000      0.6228000       3.710000 0.8976000       2.001000      0.8637000       1.709000       1.246000
  1 1 1     -33   -6    1 o    5.356000      0.5860000       4.998000 0.9018000       5.714000      0.7485000     -0.7162000       1.172000
  1 1 1     -33   -6    2 o    4.716000      0.6661000       3.667000 1.097000       5.766000      0.7566000      -2.100000       1.332000
  1 1 1     -33   -6    3 o    7.225000      0.3564000       7.331000 0.4970000       7.119000      0.5110000      0.2119000      0.7128000
  1 1 1     -33   -6    4 o    6.669000      0.5706000       7.129000 0.7255000       6.208000      0.8809000      0.9211000       1.141000
  1 1 1     -33   -6    5 o    3.752000      0.7184000       5.063000 0.9865000       2.440000       1.045000       2.623000       1.437000
  1 1 1     -33   -6    6 o    2.503000      0.6404000       2.014000 0.8638000       2.993000      0.9457000     -0.9786000       1.281000
  1 1 1     -33   -6    7 o    1.888000      0.5848000       2.067000 0.8695000       1.708000      0.7823000      0.3594000       1.170000
  1 1 1     -33   -6    8 o    4.685000      0.5256000       4.206000 0.8049000       5.164000      0.6761000     -0.9582000       1.051000
  1 1 1     -33   -6    9 o    2.695000      0.6694000       2.472000 0.9499000       2.918000      0.9434000     -0.4461000       1.339000
  1 1 1     -33   -6   10 o    5.094000      0.5108000       5.369000 0.6766000       4.819000      0.7653000      0.5507000       1.022000
  1 1 1     -33   -6   11 o    2.388000      0.6579000       2.491000 0.9449000       2.284000      0.9157000      0.2074000       1.316000
  1 1 1     -33   -6   12 o    3.028000      0.6686000       2.456000 0.9446000       3.601000      0.9466000      -1.145000       1.337000
  1 1 1     -33   -6   13 o    4.737000      0.5350000       4.580000 0.8007000       4.895000      0.7097000     -0.3155000       1.070000
  1 1 1     -33   -6   14 o    2.358000      0.6402000       2.026000 0.8846000       2.691000      0.9257000     -0.6650000       1.280000
  1 1 1     -33   -5    1 o    5.310000      0.5729000       5.482000 0.8461000       5.137000      0.7725000      0.3451000       1.146000
  1 1 1     -33   -5    2 o    2.244000      0.6150000       2.537000 0.9123000       1.951000      0.8250000      0.5861000       1.230000
  1 1 1     -33   -5    3 o    4.951000      0.4664000       5.032000 0.6466000       4.870000      0.6722000      0.1620000      0.9327000
  1 1 1     -33   -5    4 o    5.526000      0.6305000       5.570000 0.8807000       5.482000      0.9023000      0.8791000E-01   1.261000
  1 1 1     -33   -5    5 o    7.346000      0.3512000       7.686000 0.4881000       7.007000      0.5052000      0.6786000      0.7024000
  1 1 1     -33   -5    6 o    5.500000      0.4287000       5.079000 0.6321000       5.920000      0.5793000     -0.8410000      0.8574000
  1 1 1     -33   -5    7 o    2.189000      0.5996000       1.582000 0.7298000       2.796000      0.9516000      -1.214000       1.199000
  1 1 1     -33   -5    8 o    1.900000      0.5862000       1.799000 0.7891000       2.002000      0.8671000     -0.2030000       1.172000
  1 1 1     -33   -5    9 o    2.225000      0.6237000       1.981000 0.8488000       2.468000      0.9141000     -0.4870000       1.247000
  1 1 1     -33   -5   10 o    3.271000      0.6426000       3.605000 0.8515000       2.936000      0.9626000      0.6697000       1.285000
  1 1 1     -33   -5   11 o    4.233000      0.5499000       4.556000 0.7560000       3.910000      0.7986000      0.6466000       1.100000
  1 1 1     -33   -5   12 o    7.484000      0.4948000       7.484000 0.4948000                  ?              ?              ?              ?
  1 1 1     -33   -5   13 f    3.056000      0.6478000       3.693000 0.9068000       2.418000      0.9254000       1.276000       1.296000
  1 1 1     -33   -4    1 o    6.090000      0.4887000       6.287000 0.7314000       5.892000      0.6485000      0.3946000      0.9775000
  1 1 1     -33   -4    2 o    4.953000      0.4348000       4.980000 0.6291000       4.927000      0.6004000      0.5218000E-01  0.8696000
  1 1 1     -33   -4    3 o    4.211000      0.7723000       4.876000 0.9849000       3.546000       1.190000       1.331000       1.545000
  1 1 1     -33   -4    4 o    6.857000      0.5426000       7.229000 0.7069000       6.486000      0.8234000      0.7435000       1.085000
  1 1 1     -33   -4    5 o    7.287000      0.3514000       7.157000 0.5162000       7.418000      0.4769000     -0.2607000      0.7028000
  1 1 1     -33   -4    6 o    3.482000      0.5968000       4.483000 0.7473000       2.481000      0.9307000       2.003000       1.194000
  1 1 1     -33   -4    7 o    2.550000      0.6317000       2.107000 0.8455000       2.994000      0.9388000     -0.8866000       1.263000
  1 1 1     -33   -4    8 o    2.763000      0.6562000       2.450000 0.8981000       3.077000      0.9569000     -0.6265000       1.312000
  1 1 1     -33   -4    9 o    2.859000      0.6676000       2.636000 0.9584000       3.083000      0.9296000     -0.4475000       1.335000
  1 1 1     -33   -4   10 o    3.006000      0.6419000       2.918000 0.9192000       3.094000      0.8961000     -0.1754000       1.284000
  1 1 1     -33   -4   11 o    1.824000      0.5762000       1.819000 0.8164000       1.830000      0.8133000     -0.1119000E-01   1.152000
  1 1 1     -33   -4   12 o    3.527000      0.8998000       3.527000 0.8998000                  ?              ?              ?              ?
  1 1 1     -33   -3    1 o    2.389000      0.5265000       1.446000 0.6850000       3.331000      0.7998000      -1.885000       1.053000
  1 1 1     -33   -3    2 o    5.138000      0.4314000       4.903000 0.6234000       5.374000      0.5964000     -0.4709000      0.8627000
  1 1 1     -33   -3    3 o    7.389000      0.5064000       7.631000 0.6652000       7.147000      0.7638000      0.4832000       1.013000
  1 1 1     -33   -3    4 o    2.629000      0.6093000       3.222000 0.8843000       2.036000      0.8385000       1.186000       1.219000
  1 1 1     -33   -3    5 o    2.824000      0.6404000       2.481000 0.9185000       3.167000      0.8925000     -0.6857000       1.281000
  1 1 1     -33   -3    6 o    2.059000      0.6023000       2.296000 0.8935000       1.821000      0.8080000      0.4758000       1.205000
  1 1 1     -33   -3    7 o    2.383000      0.6401000       2.134000 0.8676000       2.633000      0.9414000     -0.4983000       1.280000
  1 1 1     -33   -3    8 o    1.840000      0.5763000       2.008000 0.8463000       1.672000      0.7825000      0.3356000       1.153000
  1 1 1     -33   -3    9 o    2.203000      0.6189000       2.176000 0.8823000       2.231000      0.8682000     -0.5503000E-01   1.238000
  1 1 1     -33   -3   10 o    2.435000      0.6470000       2.502000 0.9360000       2.367000      0.8933000      0.1355000       1.294000
  1 1 1     -33   -3   11 o    2.217000      0.6346000       2.397000 0.9224000       2.038000      0.8718000      0.3583000       1.269000
  1 1 1     -33   -2    1 o    6.953000      0.3362000       7.214000 0.4457000       6.692000      0.5034000      0.5217000      0.6724000
  1 1 1     -33   -2    2 o    2.982000      0.7720000       3.207000 1.072000       2.757000       1.111000      0.4493000       1.544000
  1 1 1     -33   -2    3 o    5.845000      0.3876000       5.417000 0.5712000       6.273000      0.5241000     -0.8560000      0.7752000
  1 1 1     -33   -2    4 o    5.489000      0.4218000       5.329000 0.6094000       5.648000      0.5834000     -0.3184000      0.8436000
  1 1 1     -33   -2    5 f    6.071000      0.3871000       6.030000 0.5516000       6.113000      0.5431000     -0.8264000E-01  0.7741000
  1 1 1     -33   -2    6 o    6.092000      0.3822000       5.532000 0.5863000       6.651000      0.4903000      -1.119000      0.7643000
  1 1 1     -33   -2    7 o    5.737000      0.4072000       5.718000 0.5552000       5.756000      0.5959000     -0.3768000E-01  0.8145000
  1 1 1     -33   -2    8 o    3.278000      0.6219000       3.694000 0.8477000       2.861000      0.9102000      0.8331000       1.244000
  1 1 1     -33   -2    9 o    3.421000      0.6379000       3.764000 0.8977000       3.078000      0.9065000      0.6861000       1.276000
  1 1 1     -33   -2   10 o    2.330000      0.6275000       2.498000 0.8933000       2.162000      0.8816000      0.3365000       1.255000
  1 1 1     -33   -1    1 o    5.885000      0.6102000       5.537000 0.8901000       6.234000      0.8350000     -0.6975000       1.220000
  1 1 1     -33   -1    2 o    4.874000      0.6930000       4.765000 0.9128000       4.983000       1.043000     -0.2186000       1.386000
  1 1 1     -33   -1    3 o    4.166000      0.4979000       4.514000 0.6478000       3.818000      0.7564000      0.6961000      0.9959000
  1 1 1     -33   -1    4 o    9.803000      0.2997000       9.809000 0.4285000       9.798000      0.4190000      0.1077000E-01  0.5993000
  1 1 1     -33   -1    5 o    6.806000      0.3546000       6.523000 0.5189000       7.090000      0.4835000     -0.5675000      0.7093000
  1 1 1     -33   -1    6 f    4.797000      0.4719000       4.576000 0.7003000       5.018000      0.6327000     -0.4419000      0.9438000
  1 1 1     -33   -1    7 o    3.829000      0.5566000       4.826000 0.6085000       2.831000      0.9323000       1.995000       1.113000
  1 1 1     -33   -1    8 o    3.730000      0.5520000       4.224000 0.7370000       3.237000      0.8221000      0.9875000       1.104000
  1 1 1     -33    0    1 o    3.913000      0.6932000       4.786000 0.8603000       3.040000       1.087000       1.746000       1.386000
  1 1 1     -33    0    2 o    5.295000      0.4161000       5.670000 0.5376000       4.920000      0.6354000      0.7493000      0.8323000
  1 1 1     -33    0    3 o    3.753000      0.5496000       4.520000 0.6459000       2.987000      0.8893000       1.533000       1.099000
  1 1 1     -33    0    4 o    6.169000      0.3778000       6.261000 0.5213000       6.078000      0.5470000      0.1831000      0.7556000
  1 1 1     -33    0    5 o    3.590000      0.5960000       1.907000 0.8149000       5.274000      0.8700000      -3.367000       1.192000
  1 1 1     -33    0    6 o    2.271000      0.6540000       2.414000 0.8960000       2.128000      0.9530000      0.2859000       1.308000
  1 1 1     -33    1    1 o    2.557000      0.6860000       2.006000 0.8249000       3.108000       1.096000      -1.102000       1.372000
  1 1 1     -33    1    2 o    2.387000      0.9918000                  ?       ?   2.387000      0.9918000                  ?              ?
  1 1 1     -32  -31    1 o    3.639000      0.9051000       3.996000 1.267000       3.282000       1.292000      0.7142000       1.810000
  1 1 1     -32  -31    2 o    3.404000       1.257000       3.404000 1.257000                  ?              ?              ?              ?
  1 1 1     -32  -30    1 o    4.245000      0.6554000       4.163000 0.8985000       4.328000      0.9544000     -0.1648000       1.311000
  1 1 1     -32  -30    2 o    3.081000      0.6976000       3.603000 0.9580000       2.559000       1.014000       1.043000       1.395000
  1 1 1     -32  -30    3 o    2.888000      0.6977000       2.606000 0.9720000       3.170000       1.001000     -0.5641000       1.395000
  1 1 1     -32  -30    4 o    3.986000      0.6986000       4.437000 0.8943000       3.535000       1.074000      0.9021000       1.397000
  1 1 1     -32  -30    5 o    2.129000      0.6444000       2.255000 0.9138000       2.003000      0.9088000      0.2521000       1.289000
  1 1 1     -32  -30    6 o    2.474000      0.6776000       3.045000 1.033000       1.902000      0.8773000       1.143000       1.355000
  1 1 1     -32  -29    1 o    2.875000      0.7244000       2.801000 0.9927000       2.949000       1.055000     -0.1471000       1.449000
  1 1 1     -32  -29    2 o    4.228000      0.6578000       3.298000 1.014000       5.158000      0.8379000      -1.860000       1.316000
  1 1 1     -32  -29    3 f    1.832000      0.5943000       1.902000 0.8470000       1.762000      0.8338000      0.1404000       1.189000
  1 1 1     -32  -29    4 o    2.283000      0.6802000       2.245000 0.9473000       2.321000      0.9762000     -0.7547000E-01   1.360000
  1 1 1     -32  -29    5 o    3.368000      0.6992000       4.073000 0.9094000       2.663000       1.062000       1.410000       1.398000
  1 1 1     -32  -29    6 f    3.700000      0.6448000       4.847000 0.7716000       2.553000       1.033000       2.294000       1.290000
  1 1 1     -32  -29    7 o    1.658000      0.5595000       1.741000 0.8097000       1.574000      0.7723000      0.1667000       1.119000
  1 1 1     -32  -29    8 o    2.959000      0.7168000       2.212000 0.9569000       3.706000       1.067000      -1.494000       1.434000
  1 1 1     -32  -29    9 o    2.563000      0.7965000       2.472000 1.096000       2.654000       1.156000     -0.1817000       1.593000
  1 1 1     -32  -28    1 o    3.196000      0.7130000       3.310000 0.9161000       3.081000       1.093000      0.2295000       1.426000
  1 1 1     -32  -28    2 o    3.390000      0.7168000       3.448000 0.9586000       3.332000       1.066000      0.1161000       1.434000
  1 1 1     -32  -28    3 o    2.437000      0.6939000       2.527000 0.9887000       2.348000      0.9739000      0.1790000       1.388000
  1 1 1     -32  -28    4 o    2.475000      0.6993000       2.176000 0.9136000       2.775000       1.059000     -0.5996000       1.399000
  1 1 1     -32  -28    5 o    3.761000      0.7132000       3.152000 1.035000       4.370000      0.9817000      -1.219000       1.426000
  1 1 1     -32  -28    6 o    3.546000      0.9720000       3.546000 0.9720000                  ?              ?              ?              ?
  1 1 1     -32  -28    7 o    2.696000      0.7238000       2.742000 1.025000       2.650000       1.022000      0.9209000E-01   1.448000
  1 1 1     -32  -28    8 o    2.335000      0.7023000       2.222000 0.9687000       2.449000       1.017000     -0.2270000       1.405000
  1 1 1     -32  -28    9 o    2.014000      0.6326000       1.784000 0.8335000       2.244000      0.9519000     -0.4597000       1.265000
  1 1 1     -32  -28   10 o    1.800000      0.5928000       1.832000 0.8379000       1.769000      0.8388000      0.6324000E-01   1.186000
  1 1 1     -32  -28   11 o    2.357000       1.061000       2.357000 1.061000                  ?              ?              ?              ?
  1 1 1     -32  -27    1 o    3.440000      0.7226000       2.992000 0.9777000       3.889000       1.064000     -0.8970000       1.445000
  1 1 1     -32  -27    2 o    2.462000      0.6888000       2.566000 0.9456000       2.358000       1.002000      0.2088000       1.378000
  1 1 1     -32  -27    3 f    4.332000      0.6033000       4.223000 0.8794000       4.440000      0.8263000     -0.2169000       1.207000
  1 1 1     -32  -27    4 o    4.128000      0.6604000       4.857000 0.8016000       3.399000       1.050000       1.457000       1.321000
  1 1 1     -32  -27    5 o    4.317000      0.6343000       3.443000 0.9934000       5.191000      0.7890000      -1.749000       1.269000
  1 1 1     -32  -27    6 o    2.397000      0.9563000       2.397000 0.9563000                  ?              ?              ?              ?
  1 1 1     -32  -27    7 o    2.509000      0.7042000       2.419000 0.9886000       2.599000       1.003000     -0.1797000       1.408000
  1 1 1     -32  -27    8 o    2.786000       1.033000                  ?       ?   2.786000       1.033000                  ?              ?
  1 1 1     -32  -27    9 o    2.621000      0.7084000       2.152000 0.9344000       3.090000       1.065000     -0.9384000       1.417000
  1 1 1     -32  -27   10 o    2.405000      0.6994000       2.099000 0.9202000       2.710000       1.053000     -0.6103000       1.399000
  1 1 1     -32  -27   11 o    2.872000      0.7223000       2.790000 0.9978000       2.953000       1.045000     -0.1633000       1.445000
  1 1 1     -32  -27   12 o    3.249000      0.7335000       3.637000 1.051000       2.861000       1.024000      0.7761000       1.467000
  1 1 1     -32  -26    1 o    1.994000      0.6196000       2.002000 0.8545000       1.986000      0.8975000      0.1667000E-01   1.239000
  1 1 1     -32  -26    2 o    2.532000      0.6837000       2.787000 0.9897000       2.277000      0.9436000      0.5099000       1.367000
  1 1 1     -32  -26    3 f    3.960000      0.6709000       3.835000 0.9451000       4.085000      0.9523000     -0.2496000       1.342000
  1 1 1     -32  -26    4 o    2.498000      0.6832000       2.731000 0.9904000       2.265000      0.9415000      0.4663000       1.366000
  1 1 1     -32  -26    5 o    5.207000      0.5613000       5.681000 0.6615000       4.733000      0.9069000      0.9479000       1.123000
  1 1 1     -32  -26    6 o    4.039000      0.6198000       4.418000 0.8770000       3.661000      0.8760000      0.7578000       1.240000
  1 1 1     -32  -26    7 o    2.253000      0.6646000       2.385000 0.9541000       2.120000      0.9254000      0.2653000       1.329000
  1 1 1     -32  -26    8 o    2.994000      0.7859000       3.488000 1.193000       2.501000       1.024000      0.9867000       1.572000
  1 1 1     -32  -26    9 o    2.004000      0.6232000       1.506000 0.7364000       2.501000       1.006000     -0.9949000       1.246000
  1 1 1     -32  -26   10 o    3.080000      0.7319000       3.014000 1.026000       3.146000       1.044000     -0.1327000       1.464000
  1 1 1     -32  -26   11 f    5.272000      0.5250000       5.272000 0.7123000       5.273000      0.7714000     -0.4587000E-03   1.050000
  1 1 1     -32  -26   12 o    3.775000      0.6660000       3.112000 1.003000       4.438000      0.8770000      -1.326000       1.332000
  1 1 1     -32  -26   13 o    3.425000      0.7083000       3.523000 0.9896000       3.327000       1.014000      0.1967000       1.417000
  1 1 1     -32  -25    1 o    3.125000      0.7828000       2.499000 1.036000       3.750000       1.174000      -1.251000       1.566000
  1 1 1     -32  -25    2 o    3.417000      0.7279000       3.410000 0.9931000       3.425000       1.064000     -0.1466000E-01   1.456000
  1 1 1     -32  -25    3 o    3.922000      0.6413000       4.915000 0.7159000       2.929000       1.064000       1.986000       1.283000
  1 1 1     -32  -25    4 o    3.305000      0.6941000       2.740000 1.001000       3.871000      0.9619000      -1.131000       1.388000
  1 1 1     -32  -25    5 o    2.910000      0.7072000       2.727000 0.9880000       3.093000       1.012000     -0.3661000       1.414000
  1 1 1     -32  -25    6 o    2.544000      0.6821000       2.022000 0.8935000       3.065000       1.031000      -1.043000       1.364000
  1 1 1     -32  -25    7 o    3.334000      0.7253000       3.651000 1.005000       3.018000       1.046000      0.6329000       1.451000
  1 1 1     -32  -25    8 o    3.101000      0.6951000       2.335000 0.9584000       3.866000       1.007000      -1.532000       1.390000
  1 1 1     -32  -25    9 o    3.384000      0.7194000       3.430000 0.9888000       3.337000       1.045000      0.9233000E-01   1.439000
  1 1 1     -32  -25   10 o    2.293000      0.6766000       2.239000 0.9249000       2.347000      0.9879000     -0.1081000       1.353000
  1 1 1     -32  -25   11 o    2.746000      0.6842000       1.965000 0.8831000       3.528000       1.045000      -1.564000       1.368000
  1 1 1     -32  -25   12 o    2.247000      0.6644000       2.637000 1.009000       1.858000      0.8643000      0.7795000       1.329000
  1 1 1     -32  -25   13 o    2.490000      0.7044000       2.601000 0.9989000       2.379000      0.9935000      0.2218000       1.409000
  1 1 1     -32  -25   14 o    2.313000      0.6505000       2.892000 1.005000       1.733000      0.8262000       1.159000       1.301000
  1 1 1     -32  -24    1 o    2.236000      0.7118000       2.301000 0.9999000       2.172000       1.013000      0.1291000       1.424000
  1 1 1     -32  -24    2 o    2.864000      0.8109000       2.837000 1.100000       2.891000       1.192000     -0.5386000E-01   1.622000
  1 1 1     -32  -24    3 o    4.260000      0.6527000       4.297000 0.9120000       4.223000      0.9340000      0.7457000E-01   1.305000
  1 1 1     -32  -24    4 o    2.835000      0.7095000       2.198000 0.9452000       3.471000       1.058000      -1.273000       1.419000
  1 1 1     -32  -24    5 o    3.299000      0.7381000       3.052000 1.033000       3.546000       1.055000     -0.4945000       1.476000
  1 1 1     -32  -24    6 o    5.930000      0.4920000       6.518000 0.5877000       5.341000      0.7893000       1.177000      0.9841000
  1 1 1     -32  -24    7 o    2.501000      0.6890000       2.801000 0.9884000       2.202000      0.9603000      0.5995000       1.378000
  1 1 1     -32  -24    8 o    3.550000      0.7163000       3.183000 1.021000       3.917000       1.005000     -0.7333000       1.433000
  1 1 1     -32  -24    9 o    4.142000      0.6829000       3.614000 1.047000       4.669000      0.8777000      -1.055000       1.366000
  1 1 1     -32  -24   10 o    2.549000      0.7016000       2.929000 1.050000       2.170000      0.9312000      0.7594000       1.403000
  1 1 1     -32  -24   11 o    4.045000      0.6772000       3.777000 1.003000       4.314000      0.9101000     -0.5369000       1.354000
  1 1 1     -32  -24   12 o    2.942000      0.7280000       2.825000 1.013000       3.058000       1.046000     -0.2322000       1.456000
  1 1 1     -32  -24   13 o    3.678000      0.7024000       4.249000 0.9045000       3.107000       1.075000       1.142000       1.405000
  1 1 1     -32  -24   14 o    4.011000      0.6923000       4.775000 0.8748000       3.247000       1.073000       1.528000       1.385000
  1 1 1     -32  -24   15 o    2.838000      0.7440000       2.925000 1.042000       2.751000       1.062000      0.1740000       1.488000
  1 1 1     -32  -23    1 o    1.795000      0.5917000       1.589000 0.7606000       2.000000      0.9067000     -0.4106000       1.183000
  1 1 1     -32  -23    2 o    3.495000      0.7174000       4.545000 0.9491000       2.446000       1.076000       2.099000       1.435000
  1 1 1     -32  -23    3 o    4.944000      0.8055000       4.912000 1.075000       4.977000       1.200000     -0.6549000E-01   1.611000
  1 1 1     -32  -23    4 o    2.444000      0.6950000       2.398000 0.9621000       2.490000       1.003000     -0.9170000E-01   1.390000
  1 1 1     -32  -23    5 o    2.955000      0.7448000       3.142000 1.042000       2.769000       1.064000      0.3731000       1.490000
  1 1 1     -32  -23    6 o    4.404000      0.6579000       4.536000 0.8937000       4.272000      0.9658000      0.2641000       1.316000
  1 1 1     -32  -23    7 o    4.671000      0.8605000       4.671000 0.8605000                  ?              ?              ?              ?
  1 1 1     -32  -23    8 o    2.441000      0.6710000       2.889000 0.9876000       1.993000      0.9086000      0.8959000       1.342000
  1 1 1     -32  -23    9 o    2.448000       1.008000                  ?       ?   2.448000       1.008000                  ?              ?
  1 1 1     -32  -23   10 o    2.609000      0.7245000       2.317000 0.9839000       2.902000       1.064000     -0.5846000       1.449000
  1 1 1     -32  -23   11 o    3.775000      0.7461000       3.665000 1.056000       3.885000       1.054000     -0.2202000       1.492000
  1 1 1     -32  -23   12 o    3.171000      0.7141000       3.864000 0.9940000       2.477000       1.026000       1.387000       1.428000
  1 1 1     -32  -23   13 o    3.798000      0.7077000       3.416000 0.9580000       4.181000       1.042000     -0.7643000       1.415000
  1 1 1     -32  -23   14 o    3.205000      0.7314000       3.145000 0.9972000       3.265000       1.070000     -0.1200000       1.463000
  1 1 1     -32  -23   15 o    3.323000      0.6584000       4.381000 0.8982000       2.265000      0.9629000       2.117000       1.317000
  1 1 1     -32  -23   16 f    2.654000      0.7222000       2.905000 1.047000       2.403000      0.9954000      0.5017000       1.444000
  1 1 1     -32  -22    1 o    6.148000      0.4860000       5.826000 0.6691000       6.471000      0.7050000     -0.6453000      0.9719000
  1 1 1     -32  -22    2 o    4.223000      0.6674000       4.307000 0.8915000       4.138000      0.9936000      0.1693000       1.335000
  1 1 1     -32  -22    3 o    5.043000      0.7914000       5.828000 0.8792000       4.257000       1.316000       1.571000       1.583000
  1 1 1     -32  -22    4 o    3.438000      0.8578000       3.431000 1.126000       3.446000       1.295000     -0.1432000E-01   1.716000
  1 1 1     -32  -22    5 o    3.833000      0.7211000       4.248000 0.9062000       3.419000       1.122000      0.8292000       1.442000
  1 1 1     -32  -22    6 o    2.663000      0.7236000       2.216000 0.9410000       3.110000       1.100000     -0.8931000       1.447000
  1 1 1     -32  -22    7 o    6.654000      0.6245000       6.654000 0.6245000                  ?              ?              ?              ?
  1 1 1     -32  -22    8 o    3.360000      0.7161000       2.746000 1.007000       3.975000       1.018000      -1.229000       1.432000
  1 1 1     -32  -22    9 o    5.217000      0.8054000                  ?       ?   5.217000      0.8054000                  ?              ?
  1 1 1     -32  -22   10 o    3.962000      0.6900000       4.190000 0.9517000       3.734000      0.9994000      0.4556000       1.380000
  1 1 1     -32  -22   11 o    2.779000      0.7293000       2.941000 1.041000       2.616000       1.022000      0.3251000       1.459000
  1 1 1     -32  -22   12 o    4.619000      0.6330000       5.307000 0.7583000       3.930000       1.014000       1.377000       1.266000
  1 1 1     -32  -22   13 o    3.214000      0.7397000       3.253000 1.004000       3.175000       1.087000      0.7847000E-01   1.479000
  1 1 1     -32  -22   14 o    5.472000      0.5509000       5.544000 0.7015000       5.399000      0.8497000      0.1453000       1.102000
  1 1 1     -32  -22   15 o    3.584000      0.7335000       3.680000 0.9849000       3.488000       1.087000      0.1927000       1.467000
  1 1 1     -32  -22   16 o    3.741000      0.6915000       4.142000 0.9131000       3.340000       1.039000      0.8025000       1.383000
  1 1 1     -32  -22   17 o    2.036000      0.6460000       1.899000 0.8913000       2.173000      0.9353000     -0.2740000       1.292000
  1 1 1     -32  -21    1 o    11.37000      0.4837000       12.05000 0.6986000       10.68000      0.6693000       1.370000      0.9675000
  1 1 1     -32  -21    2 o    1.905000      0.6007000       2.282000 0.9377000       1.528000      0.7512000      0.7540000       1.201000
  1 1 1     -32  -21    3 o    4.521000      0.6575000       4.517000 0.8922000       4.525000      0.9659000     -0.7637000E-02   1.315000
  1 1 1     -32  -21    4 o    2.668000      0.7879000       2.539000 1.047000       2.798000       1.178000     -0.2584000       1.576000
  1 1 1     -32  -21    5 o    3.207000      0.7272000       2.744000 0.9843000       3.669000       1.071000     -0.9248000       1.454000
  1 1 1     -32  -21    6 o    3.094000      0.7087000       2.236000 0.9434000       3.953000       1.058000      -1.717000       1.417000
  1 1 1     -32  -21    7 o    8.800000      0.3957000       9.751000 0.5020000       7.850000      0.6118000       1.902000      0.7914000
  1 1 1     -32  -21    8 o    6.815000      0.4540000       6.429000 0.6663000       7.200000      0.6167000     -0.7705000      0.9079000
  1 1 1     -32  -21    9 o    4.829000      0.6191000       5.051000 0.8290000       4.607000      0.9196000      0.4448000       1.238000
  1 1 1     -32  -21   10 o    3.813000      0.6776000       4.910000 0.8898000       2.717000       1.022000       2.193000       1.355000
  1 1 1     -32  -21   11 o    3.305000      0.6993000       4.212000 0.9924000       2.398000      0.9854000       1.814000       1.399000
  1 1 1     -32  -21   12 o    2.997000      0.7168000       3.623000 1.038000       2.371000      0.9882000       1.252000       1.434000
  1 1 1     -32  -21   13 o    5.178000      0.5951000       5.863000 0.7112000       4.493000      0.9545000       1.370000       1.190000
  1 1 1     -32  -21   14 o    2.536000      0.6787000       3.097000 1.019000       1.975000      0.8965000       1.123000       1.357000
  1 1 1     -32  -21   15 f    3.587000      0.6991000       4.115000 0.9300000       3.058000       1.044000       1.057000       1.398000
  1 1 1     -32  -21   16 o    3.827000      0.6912000       3.993000 0.9535000       3.661000       1.001000      0.3317000       1.382000
  1 1 1     -32  -21   17 o    2.128000      0.6412000       1.734000 0.8124000       2.522000      0.9922000     -0.7880000       1.282000
  1 1 1     -32  -20    1 o    4.579000      0.8254000       5.470000 1.117000       3.688000       1.215000       1.782000       1.651000
  1 1 1     -32  -20    2 o    6.193000      0.6841000       6.529000 0.9458000       5.858000      0.9886000      0.6708000       1.368000
  1 1 1     -32  -20    3 o    12.85000      0.3204000       13.08000 0.4447000       12.62000      0.4613000      0.4602000      0.6408000
  1 1 1     -32  -20    4 o    2.857000      0.7093000       2.879000 1.010000       2.836000      0.9960000      0.4272000E-01   1.419000
  1 1 1     -32  -20    5 o    3.400000      0.7772000       2.094000 0.9459000       4.707000       1.234000      -2.612000       1.554000
  1 1 1     -32  -20    6 o    6.079000      0.4882000       5.859000 0.6841000       6.298000      0.6967000     -0.4389000      0.9764000
  1 1 1     -32  -20    7 o    3.894000      0.7096000       4.119000 0.9661000       3.669000       1.040000      0.4506000       1.419000
  1 1 1     -32  -20    8 o    8.565000      0.3894000       9.173000 0.5149000       7.957000      0.5843000       1.216000      0.7788000
  1 1 1     -32  -20    9 o    7.862000      0.4125000       7.910000 0.5725000       7.815000      0.5939000      0.9462000E-01  0.8249000
  1 1 1     -32  -20   10 o    3.963000      0.7078000       4.182000 0.9570000       3.743000       1.043000      0.4394000       1.416000
  1 1 1     -32  -20   11 o    2.743000      0.7308000       2.733000 1.032000       2.753000       1.035000     -0.1970000E-01   1.462000
  1 1 1     -32  -20   12 o    4.269000      0.6538000       4.573000 0.8942000       3.965000      0.9540000      0.6083000       1.308000
  1 1 1     -32  -20   13 o    4.254000      0.6669000       4.369000 0.8994000       4.138000      0.9850000      0.2314000       1.334000
  1 1 1     -32  -20   14 o    3.622000      0.7019000       4.205000 0.9181000       3.039000       1.062000       1.166000       1.404000
  1 1 1     -32  -20   15 o    5.584000      0.5386000       5.460000 0.7409000       5.707000      0.7819000     -0.2473000       1.077000
  1 1 1     -32  -20   16 o    2.964000      0.7309000       2.980000 1.035000       2.948000       1.033000      0.3233000E-01   1.462000
  1 1 1     -32  -20   17 o    2.891000      0.7306000       2.989000 1.029000       2.793000       1.037000      0.1957000       1.461000
  1 1 1     -32  -20   18 o    2.843000       1.179000       2.843000 1.179000                  ?              ?              ?              ?
  1 1 1     -32  -19    1 o    3.950000      0.6668000       3.485000 0.9818000       4.415000      0.9024000     -0.9304000       1.334000
  1 1 1     -32  -19    2 o    3.744000      0.8900000       3.769000 1.269000       3.719000       1.248000      0.4999000E-01   1.780000
  1 1 1     -32  -19    3 o    5.871000      0.4792000       5.288000 0.7118000       6.454000      0.6419000      -1.165000      0.9585000
  1 1 1     -32  -19    4 o    4.728000      0.6067000       5.129000 0.7799000       4.328000      0.9295000      0.8016000       1.213000
  1 1 1     -32  -19    5 o    3.886000      0.8353000       4.152000 1.069000       3.621000       1.284000      0.5312000       1.671000
  1 1 1     -32  -19    6 o    3.762000      0.8742000       3.259000 1.154000       4.265000       1.313000      -1.007000       1.748000
  1 1 1     -32  -19    7 o    4.907000      0.6086000       4.112000 0.9504000       5.702000      0.7604000      -1.590000       1.217000
  1 1 1     -32  -19    8 o    5.597000      0.5172000       6.417000 0.6193000       4.777000      0.8286000       1.640000       1.034000
  1 1 1     -32  -19    9 o    5.918000      0.4957000       6.087000 0.6716000       5.749000      0.7293000      0.3380000      0.9915000
  1 1 1     -32  -19   10 o    5.616000      0.5075000       4.943000 0.7513000       6.290000      0.6824000      -1.347000       1.015000
  1 1 1     -32  -19   11 o    3.798000      0.7289000       3.693000 1.067000       3.904000      0.9931000     -0.2115000       1.458000
  1 1 1     -32  -19   12 o    2.791000      0.7218000       2.880000 1.023000       2.702000       1.018000      0.1785000       1.444000
  1 1 1     -32  -19   13 o    3.128000      0.7000000       3.788000 0.9933000       2.469000      0.9867000       1.319000       1.400000
  1 1 1     -32  -19   14 o    4.598000      0.6094000       4.437000 0.8569000       4.758000      0.8667000     -0.3207000       1.219000
  1 1 1     -32  -19   15 o    3.109000      0.6994000       3.622000 0.9732000       2.595000       1.005000       1.027000       1.399000
  1 1 1     -32  -19   16 o    6.439000      0.4567000       6.659000 0.5969000       6.219000      0.6913000      0.4399000      0.9134000
  1 1 1     -32  -19   17 o    2.052000      0.6316000       2.258000 0.9376000       1.846000      0.8466000      0.4116000       1.263000
  1 1 1     -32  -19   18 o    2.414000      0.6918000       2.491000 0.9883000       2.337000      0.9684000      0.1536000       1.384000
  1 1 1     -32  -18    1 o    3.584000      0.6948000       3.801000 0.9210000       3.366000       1.041000      0.4352000       1.390000
  1 1 1     -32  -18    2 o    3.274000      0.7691000       3.145000 1.185000       3.403000      0.9813000     -0.2579000       1.538000
  1 1 1     -32  -18    3 o    4.659000      0.8236000       4.402000 1.206000       4.917000       1.122000     -0.5155000       1.647000
  1 1 1     -32  -18    4 o    1.977000      0.6201000       2.020000 0.8806000       1.933000      0.8732000      0.8712000E-01   1.240000
  1 1 1     -32  -18    5 o    8.598000      0.3692000       9.083000 0.4847000       8.113000      0.5571000      0.9695000      0.7385000
  1 1 1     -32  -18    6 o    8.073000      0.5551000       7.515000 0.7395000       8.632000      0.8281000      -1.117000       1.110000
  1 1 1     -32  -18    7 o    2.866000      0.7236000       2.785000 1.005000       2.948000       1.042000     -0.1635000       1.447000
  1 1 1     -32  -18    8 o    5.336000      0.7399000       5.336000 0.7399000                  ?              ?              ?              ?
  1 1 1     -32  -18    9 o    2.877000      0.7201000       3.093000 1.013000       2.661000       1.023000      0.4323000       1.440000
  1 1 1     -32  -18   10 o    13.26000      0.4560000                  ?       ?   13.26000      0.4560000                  ?              ?
  1 1 1     -32  -18   11 f    4.184000      0.6585000       3.344000 1.038000       5.024000      0.8109000      -1.680000       1.317000
  1 1 1     -32  -18   12 o    2.152000      0.6538000       1.994000 0.8868000       2.309000      0.9610000     -0.3143000       1.308000
  1 1 1     -32  -18   13 o    7.440000      0.4095000       7.406000 0.5732000       7.473000      0.5849000     -0.6702000E-01  0.8189000
  1 1 1     -32  -18   14 o    6.100000      0.5149000       6.997000 0.6069000       5.202000      0.8319000       1.795000       1.030000
  1 1 1     -32  -18   15 o    3.073000      0.7309000       2.761000 1.005000       3.386000       1.061000     -0.6248000       1.462000
  1 1 1     -32  -18   16 o    6.688000      0.4356000       6.424000 0.6285000       6.952000      0.6034000     -0.5280000      0.8712000
  1 1 1     -32  -18   17 o    2.207000      0.6580000       1.733000 0.8125000       2.682000       1.035000     -0.9489000       1.316000
  1 1 1     -32  -18   18 o    2.474000      0.6975000       2.689000 1.024000       2.259000      0.9476000      0.4297000       1.395000
  1 1 1     -32  -17    1 o    2.996000      0.6370000       1.946000 0.8579000       4.047000      0.9419000      -2.101000       1.274000
  1 1 1     -32  -17    2 o    7.058000      0.4058000       6.943000 0.5628000       7.173000      0.5849000     -0.2298000      0.8117000
  1 1 1     -32  -17    3 o    5.658000      0.7213000       6.418000 0.9139000       4.898000       1.116000       1.520000       1.443000
  1 1 1     -32  -17    4 f    6.296000      0.4480000       6.088000 0.6290000       6.504000      0.6382000     -0.4159000      0.8961000
  1 1 1     -32  -17    5 o    4.999000      0.5525000       4.527000 0.8277000       5.471000      0.7320000     -0.9438000       1.105000
  1 1 1     -32  -17    6 o    3.717000      0.8520000       3.927000 1.147000       3.507000       1.260000      0.4201000       1.704000
  1 1 1     -32  -17    7 o    3.039000      0.7253000       4.087000 1.154000       1.992000      0.8783000       2.094000       1.451000
  1 1 1     -32  -17    8 o    7.810000      0.5366000       7.810000 0.5366000                  ?              ?              ?              ?
  1 1 1     -32  -17    9 o    6.109000      0.4804000       6.432000 0.6318000       5.785000      0.7238000      0.6461000      0.9607000
  1 1 1     -32  -17   10 o    6.743000      0.5210000       5.631000 0.8860000       7.855000      0.5484000      -2.224000       1.042000
  1 1 1     -32  -17   11 o    2.813000      0.7230000       2.855000 1.028000       2.771000       1.016000      0.8333000E-01   1.446000
  1 1 1     -32  -17   12 o    4.943000      0.6056000       3.956000 0.9904000       5.931000      0.6972000      -1.975000       1.211000
  1 1 1     -32  -17   13 o    5.132000      0.5696000       4.926000 0.8661000       5.337000      0.7401000     -0.4114000       1.139000
  1 1 1     -32  -17   14 o    5.467000      0.5783000       6.555000 0.6390000       4.379000      0.9640000       2.176000       1.157000
  1 1 1     -32  -17   15 o    6.684000      0.4459000       6.627000 0.6213000       6.741000      0.6399000     -0.1147000      0.8919000
  1 1 1     -32  -17   16 o    3.330000      0.7275000       3.387000 1.015000       3.273000       1.043000      0.1139000       1.455000
  1 1 1     -32  -17   17 o    4.151000      0.6618000       3.436000 1.058000       4.865000      0.7960000      -1.430000       1.324000
  1 1 1     -32  -17   18 o    3.976000      0.6853000       3.769000 0.9820000       4.184000      0.9561000     -0.4158000       1.371000
  1 1 1     -32  -17   19 o    2.876000      0.6846000       2.545000 1.073000       3.206000      0.8502000     -0.6617000       1.369000
  1 1 1     -32  -16    1 f    3.259000      0.6466000       4.014000 0.8562000       2.503000      0.9691000       1.511000       1.293000
  1 1 1     -32  -16    2 o    7.656000      0.3745000       7.945000 0.4963000       7.366000      0.5610000      0.5792000      0.7490000
  1 1 1     -32  -16    3 o    6.196000      0.6381000       6.280000 0.9137000       6.112000      0.8909000      0.1686000       1.276000
  1 1 1     -32  -16    4 o    10.84000      0.4499000       11.29000 0.6464000       10.39000      0.6259000      0.8937000      0.8998000
  1 1 1     -32  -16    5 o    3.061000      0.7120000       3.038000 0.9921000       3.085000       1.021000     -0.4690000E-01   1.424000
  1 1 1     -32  -16    6 o    3.194000      0.8403000       2.556000 1.073000       3.831000       1.293000      -1.275000       1.681000
  1 1 1     -32  -16    7 o    6.540000      0.6810000       7.372000 0.7725000       5.709000       1.122000       1.663000       1.362000
  1 1 1     -32  -16    8 o    7.700000      0.4040000       7.705000 0.5562000       7.695000      0.5862000      0.9457000E-02  0.8080000
  1 1 1     -32  -16    9 o    6.229000      0.4712000       6.560000 0.6150000       5.899000      0.7142000      0.6606000      0.9425000
  1 1 1     -32  -16   10 o    3.231000      0.7183000       2.726000 1.024000       3.736000       1.007000      -1.010000       1.437000
  1 1 1     -32  -16   11 o    7.566000      0.4188000       7.737000 0.5848000       7.396000      0.5996000      0.3417000      0.8376000
  1 1 1     -32  -16   12 o    3.275000      0.7132000       3.986000 1.006000       2.565000       1.011000       1.422000       1.426000
  1 1 1     -32  -16   13 o    4.596000      0.6334000       4.546000 0.8812000       4.646000      0.9099000     -0.1007000       1.267000
  1 1 1     -32  -16   14 o    7.837000      0.4151000       7.818000 0.5771000       7.856000      0.5969000     -0.3799000E-01  0.8302000
  1 1 1     -32  -16   15 o    4.715000      0.6250000       4.442000 0.9083000       4.987000      0.8590000     -0.5451000       1.250000
  1 1 1     -32  -16   16 o    2.385000      0.6584000       3.004000 1.023000       1.766000      0.8295000       1.238000       1.317000
  1 1 1     -32  -16   17 o    3.737000      0.6973000       3.134000 1.031000       4.340000      0.9396000      -1.206000       1.395000
  1 1 1     -32  -16   18 o    3.578000      0.7002000       4.015000 0.9399000       3.140000       1.038000      0.8746000       1.400000
  1 1 1     -32  -16   19 o    2.286000      0.6678000       2.546000 0.9915000       2.026000      0.8947000      0.5195000       1.336000
  1 1 1     -32  -15    1 o    6.781000      0.3993000       7.109000 0.5280000       6.452000      0.5992000      0.6577000      0.7986000
  1 1 1     -32  -15    2 o    8.186000      0.3615000       8.562000 0.4864000       7.811000      0.5350000      0.7511000      0.7230000
  1 1 1     -32  -15    3 o    2.603000      0.6581000       3.227000 0.9717000       1.980000      0.8877000       1.247000       1.316000
  1 1 1     -32  -15    4 o    9.706000      0.4670000       10.65000 0.6497000       8.764000      0.6709000       1.884000      0.9339000
  1 1 1     -32  -15    5 o    3.372000      0.6733000       4.070000 0.9117000       2.673000      0.9909000       1.397000       1.347000
  1 1 1     -32  -15    6 o    6.228000      0.4650000       6.115000 0.6685000       6.341000      0.6465000     -0.2265000      0.9300000
  1 1 1     -32  -15    7 o    9.511000      0.5150000       9.865000 0.6741000       9.157000      0.7789000      0.7082000       1.030000
  1 1 1     -32  -15    8 o    4.995000      0.5778000       4.878000 0.8187000       5.113000      0.8155000     -0.2357000       1.156000
  1 1 1     -32  -15    9 o    3.481000      0.6944000       4.272000 0.9210000       2.691000       1.040000       1.581000       1.389000
  1 1 1     -32  -15   10 o    6.915000      0.4453000       6.438000 0.6460000       7.391000      0.6132000     -0.9527000      0.8907000
  1 1 1     -32  -15   11 o    7.536000      0.4275000       7.119000 0.6333000       7.953000      0.5746000     -0.8343000      0.8551000
  1 1 1     -32  -15   12 o    2.373000      0.6915000       2.209000 0.9471000       2.538000       1.008000     -0.3286000       1.383000
  1 1 1     -32  -15   13 o    6.935000      0.4612000       7.888000 0.5476000       5.982000      0.7423000       1.905000      0.9224000
  1 1 1     -32  -15   14 o    4.608000      0.6349000       4.830000 0.8364000       4.385000      0.9553000      0.4454000       1.270000
  1 1 1     -32  -15   15 o    3.177000      0.6666000       2.220000 0.9366000       4.135000      0.9488000      -1.915000       1.333000
  1 1 1     -32  -15   16 o    3.437000      0.7156000       3.112000 1.028000       3.761000      0.9963000     -0.6484000       1.431000
  1 1 1     -32  -15   17 o    5.181000      0.5598000       6.152000 0.6599000       4.210000      0.9045000       1.942000       1.120000
  1 1 1     -32  -15   18 o    4.921000      0.5623000       4.810000 0.8033000       5.031000      0.7869000     -0.2206000       1.125000
  1 1 1     -32  -15   19 o    3.346000      0.7065000       3.314000 0.9931000       3.379000       1.005000     -0.6497000E-01   1.413000
  1 1 1     -32  -14    1 o    4.371000      0.5824000       5.302000 0.6575000       3.440000      0.9614000       1.863000       1.165000
  1 1 1     -32  -14    2 o    11.10000      0.3155000       10.96000 0.4407000       11.25000      0.4516000     -0.2929000      0.6310000
  1 1 1     -32  -14    3 o    2.175000      0.6266000       1.558000 0.7491000       2.793000       1.005000      -1.234000       1.253000
  1 1 1     -32  -14    4 o    8.020000      0.4977000       7.764000 0.7125000       8.277000      0.6951000     -0.5134000      0.9954000
  1 1 1     -32  -14    5 f    6.825000      0.4352000       6.863000 0.6030000       6.788000      0.6277000      0.7462000E-01  0.8704000
  1 1 1     -32  -14    6 o    9.005000      0.3505000       9.345000 0.4870000       8.665000      0.5042000      0.6802000      0.7010000
  1 1 1     -32  -14    7 o    10.81000      0.4913000       11.49000 0.6341000       10.14000      0.7507000       1.357000      0.9827000
  1 1 1     -32  -14    8 o    1.959000      0.6259000       1.899000 0.8675000       2.020000      0.9025000     -0.1210000       1.252000
  1 1 1     -32  -14    9 o    2.575000       1.007000       2.575000 1.007000                  ?              ?              ?              ?
  1 1 1     -32  -14   10 o    5.056000      0.5731000       5.289000 0.7478000       4.823000      0.8686000      0.4660000       1.146000
  1 1 1     -32  -14   11 o    5.758000      0.7531000                  ?       ?   5.758000      0.7531000                  ?              ?
  1 1 1     -32  -14   12 o    3.247000      0.7303000       3.540000 1.028000       2.955000       1.037000      0.5847000       1.461000
  1 1 1     -32  -14   13 o    3.246000      0.7227000       2.892000 1.020000       3.600000       1.024000     -0.7076000       1.445000
  1 1 1     -32  -14   14 o    2.567000      0.6238000       3.571000 0.9925000       1.563000      0.7559000       2.009000       1.248000
  1 1 1     -32  -14   15 o    2.499000      0.6975000       2.255000 0.9468000       2.744000       1.025000     -0.4885000       1.395000
  1 1 1     -32  -14   16 o    2.644000      0.7033000       3.024000 1.033000       2.264000      0.9548000      0.7601000       1.407000
  1 1 1     -32  -14   17 o    5.254000      0.5484000       4.909000 0.8385000       5.599000      0.7072000     -0.6900000       1.097000
  1 1 1     -32  -14   18 o    2.182000      0.6240000       1.508000 0.7352000       2.856000       1.008000      -1.347000       1.248000
  1 1 1     -32  -14   19 o    3.233000      0.6840000       2.603000 0.9699000       3.864000      0.9646000      -1.261000       1.368000
  1 1 1     -32  -13    1 o    12.08000      0.3073000       12.26000 0.4292000       11.90000      0.4399000      0.3544000      0.6146000
  1 1 1     -32  -13    2 o    2.249000      0.6623000       2.215000 0.9177000       2.284000      0.9551000     -0.6872000E-01   1.325000
  1 1 1     -32  -13    3 o    10.20000      0.3282000       9.939000 0.4702000       10.47000      0.4580000     -0.5291000      0.6564000
  1 1 1     -32  -13    4 o    13.05000      0.4359000       13.44000 0.6183000       12.65000      0.6145000      0.7931000      0.8717000
  1 1 1     -32  -13    5 o    10.19000      0.3362000       10.22000 0.4713000       10.16000      0.4795000      0.5800000E-01  0.6724000
  1 1 1     -32  -13    6 o    15.92000      0.3206000       16.13000 0.4582000       15.71000      0.4486000      0.4128000      0.6412000
  1 1 1     -32  -13    7 o    6.239000      0.6890000       6.295000 0.8872000       6.183000       1.054000      0.1123000       1.378000
  1 1 1     -32  -13    8 o    7.362000      0.4150000       7.217000 0.5954000       7.507000      0.5781000     -0.2892000      0.8299000
  1 1 1     -32  -13    9 o    4.267000      0.9438000       4.267000 0.9438000                  ?              ?              ?              ?
  1 1 1     -32  -13   10 o    2.750000      0.7143000       2.769000 1.004000       2.731000       1.017000      0.3797000E-01   1.429000
  1 1 1     -32  -13   11 o    3.127000       1.045000                  ?       ?   3.127000       1.045000                  ?              ?
  1 1 1     -32  -13   12 o    4.181000      0.6551000       3.639000 1.001000       4.724000      0.8452000      -1.085000       1.310000
  1 1 1     -32  -13   13 o    3.692000      0.6610000       4.683000 0.8508000       2.700000       1.012000       1.983000       1.322000
  1 1 1     -32  -13   14 o    2.709000      0.6964000       2.259000 0.9438000       3.159000       1.024000     -0.8995000       1.393000
  1 1 1     -32  -13   15 o    4.348000      0.6522000       3.941000 0.9789000       4.754000      0.8619000     -0.8126000       1.304000
  1 1 1     -32  -13   16 o    4.023000      0.6698000       3.247000 1.050000       4.800000      0.8315000      -1.553000       1.340000
  1 1 1     -32  -13   17 o    6.030000      0.4860000       6.364000 0.6757000       5.697000      0.6988000      0.6668000      0.9721000
  1 1 1     -32  -13   18 o    2.408000      0.6835000       2.631000 1.003000       2.185000      0.9293000      0.4466000       1.367000
  1 1 1     -32  -13   19 o    2.684000      0.7125000       2.644000 1.001000       2.723000       1.014000     -0.7899000E-01   1.425000
  1 1 1     -32  -12    1 o    6.393000      0.4300000       6.552000 0.5916000       6.235000      0.6241000      0.3175000      0.8599000
  1 1 1     -32  -12    2 o    5.792000      0.4682000       5.663000 0.6681000       5.921000      0.6561000     -0.2581000      0.9363000
  1 1 1     -32  -12    3 o    6.729000      0.4167000       6.742000 0.5849000       6.717000      0.5936000      0.2501000E-01  0.8333000
  1 1 1     -32  -12    4 o    5.728000      0.6510000       5.712000 0.9470000       5.745000      0.8934000     -0.3286000E-01   1.302000
  1 1 1     -32  -12    5 o    3.014000      0.7202000       2.714000 1.008000       3.314000       1.029000     -0.5998000       1.440000
  1 1 1     -32  -12    6 o    5.279000      0.5394000       5.905000 0.6590000       4.653000      0.8541000       1.252000       1.079000
  1 1 1     -32  -12    7 o    10.79000      0.4690000       10.48000 0.6524000       11.10000      0.6738000     -0.6195000      0.9379000
  1 1 1     -32  -12    8 o    8.283000      0.3920000       8.255000 0.5596000       8.311000      0.5492000     -0.5554000E-01  0.7840000
  1 1 1     -32  -12    9 o    1.973000      0.6266000       1.703000 0.8071000       2.243000      0.9586000     -0.5398000       1.253000
  1 1 1     -32  -12   10 o    2.364000      0.6514000       3.013000 1.023000       1.714000      0.8066000       1.299000       1.303000
  1 1 1     -32  -12   11 o    2.040000      0.6396000       1.918000 0.8701000       2.162000      0.9377000     -0.2439000       1.279000
  1 1 1     -32  -12   12 o    7.580000      0.4063000       7.337000 0.5920000       7.823000      0.5566000     -0.4868000      0.8126000
  1 1 1     -32  -12   13 o    7.804000      0.4000000       7.531000 0.5826000       8.078000      0.5482000     -0.5475000      0.7999000
  1 1 1     -32  -12   14 o    3.473000      0.6769000       2.719000 0.9966000       4.227000      0.9164000      -1.508000       1.354000
  1 1 1     -32  -12   15 o    3.552000      0.7090000       3.409000 0.9965000       3.695000       1.009000     -0.2853000       1.418000
  1 1 1     -32  -12   16 o    3.177000      0.7286000       3.231000 1.036000       3.123000       1.025000      0.1077000       1.457000
  1 1 1     -32  -12   17 o    2.890000      0.7208000       2.874000 1.024000       2.906000       1.015000     -0.3199000E-01   1.442000
  1 1 1     -32  -12   18 o    2.713000      0.7044000       2.653000 0.9943000       2.773000      0.9980000     -0.1204000       1.409000
  1 1 1     -32  -12   19 o    6.186000      0.4658000       6.371000 0.6388000       6.001000      0.6780000      0.3702000      0.9316000
  1 1 1     -32  -11    1 o    7.753000      0.3638000       7.782000 0.5126000       7.723000      0.5165000      0.5896000E-01  0.7277000
  1 1 1     -32  -11    2 o    8.627000      0.3454000       8.553000 0.4903000       8.700000      0.4866000     -0.1466000      0.6908000
  1 1 1     -32  -11    3 f    1.989000      0.6194000       1.962000 0.8657000       2.016000      0.8860000     -0.5436000E-01   1.239000
  1 1 1     -32  -11    4 o    6.057000      0.6012000       6.344000 0.8429000       5.770000      0.8574000      0.5737000       1.202000
  1 1 1     -32  -11    5 o    4.052000      0.6307000       3.850000 0.9201000       4.255000      0.8630000     -0.4051000       1.261000
  1 1 1     -32  -11    6 o    2.569000      0.6937000       2.650000 0.9997000       2.488000      0.9621000      0.1624000       1.387000
  1 1 1     -32  -11    7 o    3.741000      0.8734000       3.827000 1.204000       3.656000       1.265000      0.1712000       1.747000
  1 1 1     -32  -11    8 o    8.641000      0.3722000       8.645000 0.5250000       8.638000      0.5278000      0.7247000E-02  0.7444000
  1 1 1     -32  -11    9 o    3.711000      0.6821000       4.143000 0.9010000       3.278000       1.024000      0.8648000       1.364000
  1 1 1     -32  -11   10 o    4.329000      0.6325000       4.634000 0.8448000       4.023000      0.9415000      0.6106000       1.265000
  1 1 1     -32  -11   11 o    2.543000      0.6894000       2.234000 0.9462000       2.853000       1.003000     -0.6193000       1.379000
  1 1 1     -32  -11   12 o    5.463000      0.5116000       5.643000 0.6922000       5.284000      0.7534000      0.3589000       1.023000
  1 1 1     -32  -11   13 o    4.356000      0.6237000       3.978000 0.9338000       4.735000      0.8270000     -0.7569000       1.247000
  1 1 1     -32  -11   14 o    3.449000      0.7043000       3.370000 1.002000       3.527000      0.9899000     -0.1565000       1.409000
  1 1 1     -32  -11   15 o    4.544000      0.6010000       4.987000 0.7582000       4.101000      0.9327000      0.8860000       1.202000
  1 1 1     -32  -11   16 f    3.881000      0.6495000       3.397000 0.9819000       4.366000      0.8505000     -0.9691000       1.299000
  1 1 1     -32  -11   17 o    2.059000      0.6209000       1.568000 0.7580000       2.549000      0.9835000     -0.9812000       1.242000
  1 1 1     -32  -11   18 o    2.395000      0.6569000       2.785000 0.9729000       2.006000      0.8828000      0.7787000       1.314000
  1 1 1     -32  -11   19 o    5.141000      0.6154000       5.729000 0.6849000       4.553000       1.023000       1.176000       1.231000
  1 1 1     -32  -10    1 o    8.432000      0.3434000       8.404000 0.4976000       8.459000      0.4735000     -0.5466000E-01  0.6869000
  1 1 1     -32  -10    2 o    3.208000      0.6645000       2.706000 0.9743000       3.711000      0.9039000      -1.005000       1.329000
  1 1 1     -32  -10    3 o    8.027000      0.3584000       7.937000 0.5225000       8.117000      0.4906000     -0.1806000      0.7168000
  1 1 1     -32  -10    4 o    9.180000      0.4607000       9.304000 0.6687000       9.056000      0.6340000      0.2481000      0.9215000
  1 1 1     -32  -10    5 o    2.320000      0.6510000       1.995000 0.8791000       2.645000      0.9603000     -0.6497000       1.302000
  1 1 1     -32  -10    6 o    7.517000      0.3914000       7.451000 0.5656000       7.582000      0.5411000     -0.1309000      0.7827000
  1 1 1     -32  -10    7 o    7.645000      0.5536000       7.108000 0.8048000       8.182000      0.7604000      -1.074000       1.107000
  1 1 1     -32  -10    8 o    10.18000      0.3337000       10.15000 0.4715000       10.21000      0.4725000     -0.6269000E-01  0.6675000
  1 1 1     -32  -10    9 o    3.062000      0.7022000       2.831000 0.9989000       3.293000      0.9872000     -0.4623000       1.404000
  1 1 1     -32  -10   10 o    2.855000      0.6745000       3.384000 1.005000       2.325000      0.8999000       1.059000       1.349000
  1 1 1     -32  -10   11 o    3.002000      0.6873000       2.474000 0.9799000       3.530000      0.9640000      -1.056000       1.375000
  1 1 1     -32  -10   12 o    4.428000      0.5616000       4.578000 0.7139000       4.277000      0.8670000      0.3001000       1.123000
  1 1 1     -32  -10   13 o    2.926000      0.6746000       3.416000 0.9639000       2.436000      0.9440000      0.9800000       1.349000
  1 1 1     -32  -10   14 o    6.301000      0.4471000       5.619000 0.6786000       6.983000      0.5823000      -1.365000      0.8942000
  1 1 1     -32  -10   15 o    10.86000      0.3283000       10.88000 0.4652000       10.83000      0.4635000      0.5138000E-01  0.6566000
  1 1 1     -32  -10   16 o    5.141000      0.5411000       4.645000 0.8073000       5.637000      0.7206000     -0.9922000       1.082000
  1 1 1     -32  -10   17 f    4.800000      0.5626000       4.533000 0.8183000       5.067000      0.7723000     -0.5340000       1.125000
  1 1 1     -32  -10   18 o    2.725000      0.6620000       2.070000 0.9002000       3.380000      0.9708000      -1.310000       1.324000
  1 1 1     -32   -9    1 o    6.031000      0.4113000       6.041000 0.5886000       6.022000      0.5748000      0.1916000E-01  0.8227000
  1 1 1     -32   -9    2 o    6.403000      0.3947000       6.704000 0.5440000       6.101000      0.5722000      0.6023000      0.7895000
  1 1 1     -32   -9    3 o    10.91000      0.3043000       11.02000 0.4421000       10.81000      0.4182000      0.2151000      0.6085000
  1 1 1     -32   -9    4 o    7.882000      0.4580000       7.660000 0.6854000       8.103000      0.6077000     -0.4428000      0.9160000
  1 1 1     -32   -9    5 o    6.488000      0.3987000       6.442000 0.5776000       6.535000      0.5499000     -0.9231000E-01  0.7975000
  1 1 1     -32   -9    6 o    9.666000      0.3218000       9.627000 0.4708000       9.705000      0.4388000     -0.7762000E-01  0.6436000
  1 1 1     -32   -9    7 o    5.674000      0.7091000       6.011000 0.9182000       5.337000       1.081000      0.6743000       1.418000
  1 1 1     -32   -9    8 o    3.756000      0.6307000       3.943000 0.8869000       3.569000      0.8969000      0.3743000       1.261000
  1 1 1     -32   -9    9 o    3.186000      0.6710000       3.024000 0.9627000       3.348000      0.9348000     -0.3237000       1.342000
  1 1 1     -32   -9   10 o    2.803000      0.9678000       2.803000 0.9678000                  ?              ?              ?              ?
  1 1 1     -32   -9   11 o    2.972000      0.6800000       2.612000 0.9701000       3.331000      0.9532000     -0.7184000       1.360000
  1 1 1     -32   -9   12 o    4.622000      0.8067000                  ?       ?   4.622000      0.8067000                  ?              ?
  1 1 1     -32   -9   13 o    3.192000      0.6421000       2.308000 0.9442000       4.075000      0.8706000      -1.767000       1.284000
  1 1 1     -32   -9   14 f    6.179000      0.4378000       6.669000 0.5965000       5.690000      0.6411000      0.9783000      0.8757000
  1 1 1     -32   -9   15 o    8.377000      0.3535000       8.574000 0.4971000       8.181000      0.5028000      0.3932000      0.7070000
  1 1 1     -32   -9   16 o    3.951000      0.6124000       2.685000 0.9998000       5.218000      0.7075000      -2.533000       1.225000
  1 1 1     -32   -9   17 o    3.087000      0.6926000       2.993000 0.9861000       3.180000      0.9728000     -0.1873000       1.385000
  1 1 1     -32   -9   18 o    2.499000      0.6715000       2.721000 0.9825000       2.278000      0.9156000      0.4432000       1.343000
  1 1 1     -32   -8    1 o    3.890000      0.5792000       3.496000 0.8908000       4.283000      0.7406000     -0.7867000       1.158000
  1 1 1     -32   -8    2 o    8.021000      0.3383000       8.377000 0.4784000       7.666000      0.4786000      0.7110000      0.6767000
  1 1 1     -32   -8    3 o    5.496000      0.4474000       5.808000 0.5978000       5.184000      0.6658000      0.6243000      0.8948000
  1 1 1     -32   -8    4 o    2.135000      0.6780000       2.196000 0.9876000       2.074000      0.9292000      0.1217000       1.356000
  1 1 1     -32   -8    5 o    4.347000      0.5786000       3.713000 0.9219000       4.980000      0.6994000      -1.267000       1.157000
  1 1 1     -32   -8    6 o    3.830000      0.7592000       4.876000 1.026000       2.784000       1.119000       2.093000       1.518000
  1 1 1     -32   -8    7 o    4.117000      0.8003000       3.304000 1.168000       4.929000       1.095000      -1.625000       1.601000
  1 1 1     -32   -8    8 o    5.099000      0.4940000       5.355000 0.6933000       4.843000      0.7040000      0.5120000      0.9880000
  1 1 1     -32   -8    9 o    5.757000      0.4328000       5.773000 0.6193000       5.742000      0.6048000      0.3048000E-01  0.8656000
  1 1 1     -32   -8   10 o    3.863000      0.5848000       4.120000 0.8606000       3.606000      0.7921000      0.5133000       1.170000
  1 1 1     -32   -8   11 o    3.707000      0.6372000       4.214000 0.8479000       3.199000      0.9513000       1.016000       1.274000
  1 1 1     -32   -8   12 o    4.287000      0.6843000       3.868000 1.153000       4.706000      0.7375000     -0.8377000       1.369000
  1 1 1     -32   -8   13 o    2.885000      0.6975000       2.827000 0.9923000       2.943000      0.9805000     -0.1160000       1.395000
  1 1 1     -32   -8   14 o    3.091000      0.6837000       3.399000 0.9659000       2.783000      0.9680000      0.6156000       1.367000
  1 1 1     -32   -8   15 o    4.263000      0.5922000       3.860000 0.8956000       4.665000      0.7751000     -0.8058000       1.184000
  1 1 1     -32   -8   16 o    3.289000      0.6626000       2.747000 0.9733000       3.831000      0.8995000      -1.084000       1.325000
  1 1 1     -32   -8   17 o    2.942000      0.6808000       2.799000 0.9786000       3.086000      0.9468000     -0.2871000       1.362000
  1 1 1     -32   -8   18 o    3.724000      0.6404000       2.964000 1.009000       4.484000      0.7895000      -1.520000       1.281000
  1 1 1     -32   -7    1 o    4.858000      0.4580000       5.089000 0.6338000       4.628000      0.6614000      0.4613000      0.9161000
  1 1 1     -32   -7    2 o    14.54000      0.2987000       14.52000 0.4222000       14.56000      0.4226000     -0.3260000E-01  0.5974000
  1 1 1     -32   -7    3 o    2.303000      0.6935000       2.288000 0.9938000       2.317000      0.9674000     -0.2918000E-01   1.387000
  1 1 1     -32   -7    4 o    3.622000      0.7286000       3.441000 1.074000       3.802000      0.9849000     -0.3616000       1.457000
  1 1 1     -32   -7    5 o    3.645000      0.5580000       2.205000 0.8952000       5.085000      0.6663000      -2.880000       1.116000
  1 1 1     -32   -7    6 o    7.858000      0.4948000       8.162000 0.6706000       7.554000      0.7278000      0.6083000      0.9897000
  1 1 1     -32   -7    7 o    7.848000      0.3528000       7.922000 0.4943000       7.775000      0.5036000      0.1468000      0.7057000
  1 1 1     -32   -7    8 o    2.482000      0.6659000       2.709000 0.9734000       2.255000      0.9089000      0.4538000       1.332000
  1 1 1     -32   -7    9 o    3.132000      0.6807000       3.085000 0.9851000       3.179000      0.9398000     -0.9353000E-01   1.361000
  1 1 1     -32   -7   10 o    2.318000      0.6543000       2.246000 0.9224000       2.390000      0.9281000     -0.1442000       1.309000
  1 1 1     -32   -7   11 o    5.612000      0.4535000       6.257000 0.5878000       4.967000      0.6908000       1.290000      0.9070000
  1 1 1     -32   -7   12 o    2.553000      0.6358000       1.932000 0.8585000       3.173000      0.9381000      -1.241000       1.272000
  1 1 1     -32   -7   13 o    4.466000      0.5722000       3.863000 0.9231000       5.070000      0.6765000      -1.207000       1.144000
  1 1 1     -32   -7   14 o    1.671000      0.5517000       1.512000 0.7319000       1.830000      0.8257000     -0.3180000       1.103000
  1 1 1     -32   -7   15 o    3.967000      0.6455000       3.870000 0.9362000       4.065000      0.8890000     -0.1950000       1.291000
  1 1 1     -32   -7   16 o    2.956000      0.6878000       2.636000 0.9710000       3.275000      0.9744000     -0.6385000       1.376000
  1 1 1     -32   -7   17 o    5.957000      0.4578000       6.563000 0.5861000       5.351000      0.7035000       1.212000      0.9157000
  1 1 1     -32   -6    1 o    9.491000      0.3035000       9.052000 0.4376000       9.929000      0.4206000     -0.8769000      0.6070000
  1 1 1     -32   -6    2 o    12.15000      0.2893000       12.22000 0.4096000       12.08000      0.4086000      0.1387000      0.5786000
  1 1 1     -32   -6    3 o    3.193000      0.7385000       3.530000 1.063000       2.856000       1.026000      0.6749000       1.477000
  1 1 1     -32   -6    4 o    6.624000      0.3789000       6.528000 0.5385000       6.720000      0.5333000     -0.1923000      0.7578000
  1 1 1     -32   -6    5 o    6.446000      0.3844000       6.043000 0.5667000       6.848000      0.5194000     -0.8045000      0.7688000
  1 1 1     -32   -6    6 o    5.626000      0.6633000       7.095000 0.7417000       4.157000       1.100000       2.938000       1.327000
  1 1 1     -32   -6    7 o    6.769000      0.3890000       6.422000 0.5815000       7.117000      0.5170000     -0.6951000      0.7781000
  1 1 1     -32   -6    8 o    2.847000      0.6794000       3.002000 0.9765000       2.691000      0.9448000      0.3107000       1.359000
  1 1 1     -32   -6    9 o    5.090000      0.4892000       4.934000 0.7127000       5.247000      0.6703000     -0.3135000      0.9783000
  1 1 1     -32   -6   10 o    2.730000      0.5769000       3.847000 0.8736000       1.614000      0.7538000       2.233000       1.154000
  1 1 1     -32   -6   11 o    3.369000      0.6408000       3.082000 0.9234000       3.656000      0.8888000     -0.5744000       1.282000
  1 1 1     -32   -6   12 f    2.185000      0.6242000       2.489000 0.9340000       1.880000      0.8283000      0.6088000       1.248000
  1 1 1     -32   -6   13 o    2.814000      0.6534000       2.366000 0.9221000       3.262000      0.9260000     -0.8963000       1.307000
  1 1 1     -32   -6   14 o    3.406000      0.6406000       3.380000 0.9278000       3.432000      0.8835000     -0.5178000E-01   1.281000
  1 1 1     -32   -6   15 o    6.428000      0.3975000       5.986000 0.5934000       6.870000      0.5292000     -0.8832000      0.7951000
  1 1 1     -32   -6   16 o    3.492000      0.6347000       3.009000 0.9470000       3.975000      0.8453000     -0.9659000       1.269000
  1 1 1     -32   -6   17 o    9.160000      0.3302000       9.149000 0.4724000       9.171000      0.4614000     -0.2204000E-01  0.6604000
  1 1 1     -32   -5    1 o    10.06000      0.2935000       9.988000 0.4159000       10.13000      0.4142000     -0.1457000      0.5870000
  1 1 1     -32   -5    2 o    3.138000      0.5484000       2.547000 0.8117000       3.728000      0.7377000      -1.182000       1.097000
  1 1 1     -32   -5    3 o    4.113000      0.6928000       4.170000 1.034000       4.056000      0.9224000      0.1142000       1.386000
  1 1 1     -32   -5    4 o    6.796000      0.3643000       6.764000 0.5246000       6.827000      0.5056000     -0.6309000E-01  0.7286000
  1 1 1     -32   -5    5 o    9.201000      0.4706000       9.390000 0.6581000       9.013000      0.6728000      0.3771000      0.9411000
  1 1 1     -32   -5    6 o    10.18000      0.4291000       10.39000 0.5766000       9.979000      0.6356000      0.4067000      0.8582000
  1 1 1     -32   -5    7 o    4.734000      0.4853000       4.694000 0.6611000       4.773000      0.7107000     -0.7923000E-01  0.9707000
  1 1 1     -32   -5    8 o    3.802000      0.5982000       3.542000 0.8728000       4.063000      0.8182000     -0.5205000       1.196000
  1 1 1     -32   -5    9 f    6.398000      0.3868000       6.047000 0.5620000       6.749000      0.5318000     -0.7022000      0.7737000
  1 1 1     -32   -5   10 o    1.701000      0.5445000       1.796000 0.7915000       1.606000      0.7481000      0.1901000       1.089000
  1 1 1     -32   -5   11 o    2.864000      0.9164000       2.864000 0.9164000                  ?              ?              ?              ?
  1 1 1     -32   -5   12 o    2.218000      0.6304000       2.387000 0.9215000       2.049000      0.8605000      0.3380000       1.261000
  1 1 1     -32   -5   13 o    2.505000      0.9452000                  ?       ?   2.505000      0.9452000                  ?              ?
  1 1 1     -32   -5   14 o    2.627000      0.6791000       2.661000 0.9785000       2.594000      0.9420000      0.6668000E-01   1.358000
  1 1 1     -32   -5   15 o    3.021000      0.6592000       2.583000 0.9563000       3.459000      0.9074000     -0.8767000       1.318000
  1 1 1     -32   -5   16 o    4.386000      0.5520000       5.189000 0.6635000       3.583000      0.8824000       1.606000       1.104000
  1 1 1     -32   -4    1 o    6.090000      0.3869000       5.924000 0.5730000       6.256000      0.5199000     -0.3319000      0.7737000
  1 1 1     -32   -4    2 o    6.173000      0.4944000       6.092000 0.7432000       6.253000      0.6521000     -0.1617000      0.9887000
  1 1 1     -32   -4    3 o    8.336000      0.3211000       8.137000 0.4655000       8.535000      0.4424000     -0.3976000      0.6422000
  1 1 1     -32   -4    4 f    3.089000      0.6125000       2.365000 0.8996000       3.814000      0.8314000      -1.450000       1.225000
  1 1 1     -32   -4    5 o    3.406000      0.7782000       4.087000 1.107000       2.725000       1.094000       1.362000       1.556000
  1 1 1     -32   -4    6 o    9.799000      0.3113000       9.372000 0.4565000       10.23000      0.4234000     -0.8535000      0.6226000
  1 1 1     -32   -4    7 o    7.026000      0.3722000       7.115000 0.5417000       6.937000      0.5106000      0.1789000      0.7444000
  1 1 1     -32   -4    8 o    7.987000      0.3379000       7.955000 0.4919000       8.019000      0.4635000     -0.6448000E-01  0.6759000
  1 1 1     -32   -4    9 o    6.248000      0.3984000       7.090000 0.5256000       5.405000      0.5988000       1.685000      0.7968000
  1 1 1     -32   -4   10 f    3.026000      0.6365000       3.545000 0.8723000       2.507000      0.9271000       1.038000       1.273000
  1 1 1     -32   -4   11 o    3.230000      0.9427000       3.230000 0.9427000                  ?              ?              ?              ?
  1 1 1     -32   -4   12 o    2.791000      0.6197000       3.657000 0.8994000       1.925000      0.8529000       1.732000       1.239000
  1 1 1     -32   -4   13 o    2.205000      0.6529000       2.224000 0.9345000       2.186000      0.9122000      0.3732000E-01   1.306000
  1 1 1     -32   -4   14 o    2.485000      0.6178000       1.821000 0.8289000       3.150000      0.9162000      -1.329000       1.236000
  1 1 1     -32   -4   15 o    2.021000      0.6056000       2.319000 0.9331000       1.722000      0.7722000      0.5975000       1.211000
  1 1 1     -32   -3    1 o    3.946000      0.6785000       3.682000 1.071000       4.210000      0.8337000     -0.5278000       1.357000
  1 1 1     -32   -3    2 o    6.700000      0.4773000       7.512000 0.6593000       5.888000      0.6903000       1.624000      0.9546000
  1 1 1     -32   -3    3 o    4.078000      0.5293000       4.381000 0.7293000       3.776000      0.7672000      0.6048000       1.059000
  1 1 1     -32   -3    4 o    6.529000      0.5631000       7.064000 0.7303000       5.994000      0.8573000       1.070000       1.126000
  1 1 1     -32   -3    5 o    1.950000      0.6394000       2.104000 0.9443000       1.797000      0.8622000      0.3061000       1.279000
  1 1 1     -32   -3    6 o    5.857000      0.4055000       5.561000 0.6004000       6.153000      0.5452000     -0.5922000      0.8110000
  1 1 1     -32   -3    7 o    7.931000      0.3335000       7.975000 0.4767000       7.888000      0.4666000      0.8669000E-01  0.6670000
  1 1 1     -32   -3    8 o    4.096000      0.5701000       4.911000 0.6784000       3.280000      0.9164000       1.631000       1.140000
  1 1 1     -32   -3    9 o    2.763000      0.6233000       2.228000 0.8859000       3.297000      0.8771000      -1.069000       1.247000
  1 1 1     -32   -3   10 o    8.508000      0.3191000       8.139000 0.4548000       8.876000      0.4478000     -0.7369000      0.6383000
  1 1 1     -32   -3   11 o    3.193000      0.6339000       3.921000 0.8587000       2.464000      0.9328000       1.457000       1.268000
  1 1 1     -32   -3   12 o    3.478000      0.6549000       3.970000 0.8785000       2.985000      0.9715000      0.9854000       1.310000
  1 1 1     -32   -3   13 o    1.816000      0.5653000       1.628000 0.7542000       2.005000      0.8422000     -0.3771000       1.131000
  1 1 1     -32   -3   14 o    2.463000      0.6321000       2.907000 0.9305000       2.020000      0.8559000      0.8874000       1.264000
  1 1 1     -32   -2    1 o    4.206000      0.6386000       4.318000 0.9156000       4.093000      0.8904000      0.2250000       1.277000
  1 1 1     -32   -2    2 o    4.638000      0.4680000       5.512000 0.5588000       3.764000      0.7508000       1.748000      0.9360000
  1 1 1     -32   -2    3 f    3.757000      0.5423000       3.404000 0.8506000       4.110000      0.6728000     -0.7057000       1.085000
  1 1 1     -32   -2    4 o    8.322000      0.4660000       8.815000 0.6113000       7.828000      0.7037000      0.9866000      0.9321000
  1 1 1     -32   -2    5 f    1.663000      0.5325000       1.588000 0.7300000       1.739000      0.7756000     -0.1510000       1.065000
  1 1 1     -32   -2    6 o    4.002000      0.5519000       3.144000 0.9020000       4.860000      0.6361000      -1.717000       1.104000
  1 1 1     -32   -2    7 o    3.341000      0.5947000       3.811000 0.7425000       2.870000      0.9292000      0.9411000       1.189000
  1 1 1     -32   -2    8 o    3.366000      0.6131000       3.437000 0.8642000       3.294000      0.8700000      0.1435000       1.226000
  1 1 1     -32   -2    9 o    2.758000      0.6208000       2.254000 0.8881000       3.261000      0.8676000      -1.007000       1.242000
  1 1 1     -32   -2   10 o    7.090000      0.3685000       6.393000 0.5479000       7.786000      0.4931000      -1.393000      0.7371000
  1 1 1     -32   -2   11 o    4.630000      0.5096000       5.174000 0.6209000       4.086000      0.8082000       1.087000       1.019000
  1 1 1     -32   -2   12 o    4.388000      0.5307000       4.467000 0.7335000       4.308000      0.7673000      0.1590000       1.061000
  1 1 1     -32   -2   13 o    2.178000      0.6253000       2.476000 0.9377000       1.880000      0.8273000      0.5963000       1.251000
  1 1 1     -32   -1    1 f    5.252000      0.4144000       5.726000 0.5555000       4.778000      0.6150000      0.9483000      0.8288000
  1 1 1     -32   -1    2 o    8.928000      0.2905000       9.063000 0.4047000       8.793000      0.4168000      0.2701000      0.5809000
  1 1 1     -32   -1    3 f    5.587000      0.6080000       5.342000 0.8296000       5.831000      0.8890000     -0.4884000       1.216000
  1 1 1     -32   -1    4 o    4.227000      0.5187000       4.630000 0.6624000       3.823000      0.7983000      0.8076000       1.037000
  1 1 1     -32   -1    5 o    2.239000      0.5890000       2.728000 0.8844000       1.750000      0.7781000      0.9775000       1.178000
  1 1 1     -32   -1    6 o    2.770000      0.6216000       2.473000 0.8927000       3.068000      0.8651000     -0.5955000       1.243000
  1 1 1     -32   -1    7 o    2.475000      0.6356000       2.320000 0.8582000       2.630000      0.9378000     -0.3096000       1.271000
  1 1 1     -32   -1    8 o    4.209000      0.5333000       4.174000 0.7393000       4.244000      0.7688000     -0.6940000E-01   1.067000
  1 1 1     -32   -1    9 o    4.635000      0.4826000       4.517000 0.7107000       4.753000      0.6531000     -0.2355000      0.9652000
  1 1 1     -32   -1   10 o    4.015000      0.5706000       4.099000 0.8024000       3.932000      0.8114000      0.1677000       1.141000
  1 1 1     -32   -1   11 o    7.072000      0.3602000       7.315000 0.5024000       6.830000      0.5163000      0.4851000      0.7204000
  1 1 1     -32   -1   12 o    5.816000      0.5680000       5.816000 0.5680000                  ?              ?              ?              ?
  1 1 1     -32    0    1 o    8.901000      0.2981000       9.042000 0.4071000       8.761000      0.4357000      0.2805000      0.5963000
  1 1 1     -32    0    2 o    12.91000      0.4128000       12.90000 0.5638000       12.92000      0.6030000     -0.2147000E-01  0.8256000
  1 1 1     -32    0    3 o    3.840000      0.6402000       4.287000 0.6601000       3.393000       1.097000      0.8942000       1.280000
  1 1 1     -32    0    4 o    3.370000      0.7126000       3.063000 0.8784000       3.678000       1.122000     -0.6146000       1.425000
  1 1 1     -32    0    5 o    2.329000      0.6577000       2.448000 0.8787000       2.211000      0.9788000      0.2373000       1.315000
  1 1 1     -32    0    6 o    1.467000      0.4857000       1.374000 0.6577000       1.561000      0.7149000     -0.1870000      0.9714000
  1 1 1     -32    0    7 o    2.249000      0.6127000       2.504000 0.8755000       1.993000      0.8572000      0.5113000       1.225000
  1 1 1     -32    0    8 o    5.944000      0.3883000       5.602000 0.5773000       6.285000      0.5194000     -0.6831000      0.7765000
  1 1 1     -32    0    9 o    5.769000      0.4038000       5.593000 0.5853000       5.945000      0.5564000     -0.3522000      0.8076000
  1 1 1     -32    0   10 o    2.314000      0.6243000       2.586000 0.9310000       2.041000      0.8321000      0.5448000       1.249000
  1 1 1     -32    0   11 o    6.186000      0.4229000       6.786000 0.5426000       5.585000      0.6490000       1.201000      0.8459000
  1 1 1     -32    1    1 o    4.802000      0.6354000       4.862000 0.9140000       4.741000      0.8831000      0.1210000       1.271000
  1 1 1     -32    1    2 o    2.475000      0.7099000       2.742000 1.041000       2.209000      0.9659000      0.5326000       1.420000
  1 1 1     -32    1    3 o    6.726000      0.3558000       7.112000 0.4727000       6.340000      0.5319000      0.7711000      0.7116000
  1 1 1     -32    1    4 o    4.540000      0.4952000       5.249000 0.5966000       3.832000      0.7905000       1.417000      0.9903000
  1 1 1     -32    1    5 o    4.930000      0.4390000       5.015000 0.6034000       4.846000      0.6378000      0.1683000      0.8780000
  1 1 1     -32    1    6 o    4.635000      0.4636000       4.535000 0.6353000       4.736000      0.6753000     -0.2006000      0.9272000
  1 1 1     -32    1    7 o    4.786000      0.4694000       4.446000 0.6973000       5.126000      0.6285000     -0.6798000      0.9388000
  1 1 1     -32    1    8 o    6.613000      0.3596000       7.072000 0.4715000       6.154000      0.5431000      0.9185000      0.7192000
  1 1 1     -32    1    9 o    2.304000      0.6086000       2.604000 0.8839000       2.003000      0.8368000      0.6012000       1.217000
  1 1 1     -32    2    1 o    7.115000      0.4771000       7.006000 0.6558000       7.224000      0.6931000     -0.2185000      0.9542000
  1 1 1     -32    2    2 o    2.707000      0.5816000       3.412000 0.8095000       2.002000      0.8351000       1.410000       1.163000
  1 1 1     -32    2    3 o    4.598000      0.4739000       4.787000 0.6128000       4.409000      0.7230000      0.3779000      0.9478000
  1 1 1     -32    2    4 o    3.046000      0.5781000       3.901000 0.7484000       2.192000      0.8814000       1.710000       1.156000
  1 1 1     -32    2    5 o    5.395000      0.4481000       6.525000 0.4972000       4.264000      0.7457000       2.261000      0.8963000
  1 1 1     -32    2    6 o    2.379000      0.6225000       2.303000 0.8618000       2.455000      0.8985000     -0.1519000       1.245000
  1 1 1     -32    2    7 o    2.167000      0.9647000                  ?       ?   2.167000      0.9647000                  ?              ?
  1 1 1     -32    3    1 o    2.616000      0.6515000       3.529000 1.051000       1.703000      0.7699000       1.826000       1.303000
  1 1 1     -32    3    2 o    3.565000       1.072000                  ?       ?   3.565000       1.072000                  ?              ?
  1 1 1     -32    3    3 o    2.965000       1.083000                  ?       ?   2.965000       1.083000                  ?              ?
  1 1 1     -31  -32    1 o    3.839000      0.8902000       2.843000 1.145000       4.836000       1.363000      -1.993000       1.780000
  1 1 1     -31  -32    2 o    4.376000       1.315000       4.376000 1.315000                  ?              ?              ?              ?
  1 1 1     -31  -31    1 o    2.758000      0.6992000       3.093000 0.9577000       2.422000       1.019000      0.6705000       1.398000
  1 1 1     -31  -31    2 o    2.071000      0.6320000       2.215000 0.9176000       1.926000      0.8694000      0.2892000       1.264000
  1 1 1     -31  -31    3 o    4.695000      0.6201000       4.584000 0.8839000       4.805000      0.8700000     -0.2205000       1.240000
  1 1 1     -31  -31    4 o    2.656000      0.7085000       2.495000 0.9437000       2.816000       1.057000     -0.3217000       1.417000
  1 1 1     -31  -31    5 o    2.233000      0.6437000       2.828000 1.022000       1.639000      0.7833000       1.190000       1.287000
  1 1 1     -31  -31    6 o    3.611000      0.7481000       4.053000 1.004000       3.169000       1.110000      0.8844000       1.496000
  1 1 1     -31  -31    7 o    3.724000       1.232000       3.724000 1.232000                  ?              ?              ?              ?
  1 1 1     -31  -30    1 o    3.545000      0.7240000       3.725000 0.9696000       3.364000       1.075000      0.3612000       1.448000
  1 1 1     -31  -30    2 o    2.046000      0.6356000       2.139000 0.9007000       1.954000      0.8970000      0.1843000       1.271000
  1 1 1     -31  -30    3 o    6.916000      0.4233000       7.429000 0.5574000       6.404000      0.6371000       1.025000      0.8465000
  1 1 1     -31  -30    4 o    2.081000      0.6517000       1.738000 0.8199000       2.423000       1.013000     -0.6850000       1.303000
  1 1 1     -31  -30    5 o    2.862000      0.6392000       3.850000 0.9396000       1.874000      0.8667000       1.976000       1.278000
  1 1 1     -31  -30    6 o    4.046000      0.7088000       4.489000 0.9009000       3.603000       1.094000      0.8854000       1.418000
  1 1 1     -31  -30    7 o    2.457000      0.6948000       2.818000 1.034000       2.096000      0.9284000      0.7221000       1.390000
  1 1 1     -31  -30    8 o    2.574000      0.6728000       1.798000 0.8219000       3.349000       1.065000      -1.551000       1.346000
  1 1 1     -31  -30    9 o    2.741000      0.7431000       2.634000 1.017000       2.849000       1.084000     -0.2144000       1.486000
  1 1 1     -31  -29    1 o    3.587000      0.6920000       3.848000 0.8980000       3.326000       1.053000      0.5221000       1.384000
  1 1 1     -31  -29    2 o    4.432000      0.6605000       4.429000 0.8992000       4.434000      0.9678000     -0.4266000E-02   1.321000
  1 1 1     -31  -29    3 o    4.060000      0.6371000       4.529000 0.7728000       3.592000       1.013000      0.9366000       1.274000
  1 1 1     -31  -29    4 o    3.766000      0.7204000       4.015000 0.9600000       3.517000       1.074000      0.4976000       1.441000
  1 1 1     -31  -29    5 o    2.427000      0.6840000       2.474000 0.9536000       2.380000      0.9808000      0.9359000E-01   1.368000
  1 1 1     -31  -29    6 o    3.596000      0.6726000       2.552000 0.9833000       4.640000      0.9181000      -2.088000       1.345000
  1 1 1     -31  -29    7 o    3.224000      0.7248000       3.182000 0.9893000       3.266000       1.059000     -0.8373000E-01   1.450000
  1 1 1     -31  -29    8 o    2.623000      0.7167000       2.893000 1.023000       2.353000       1.004000      0.5402000       1.433000
  1 1 1     -31  -29    9 o    2.087000      0.6366000       2.430000 0.9670000       1.744000      0.8282000      0.6864000       1.273000
  1 1 1     -31  -29   10 o    3.556000      0.7222000       3.213000 1.034000       3.900000       1.008000     -0.6873000       1.444000
  1 1 1     -31  -29   11 o    1.980000      0.6350000       2.068000 0.9059000       1.893000      0.8902000      0.1750000       1.270000
  1 1 1     -31  -28    1 f    4.154000      0.6438000       4.003000 0.8899000       4.306000      0.9305000     -0.3030000       1.288000
  1 1 1     -31  -28    2 o    1.943000      0.6232000       1.633000 0.7754000       2.253000      0.9759000     -0.6201000       1.246000
  1 1 1     -31  -28    3 o    4.407000      0.6203000       4.196000 0.8337000       4.618000      0.9188000     -0.4225000       1.241000
  1 1 1     -31  -28    4 o    4.588000      0.6157000       4.722000 0.7697000       4.453000      0.9613000      0.2689000       1.231000
  1 1 1     -31  -28    5 o    3.678000      0.9530000       3.678000 0.9530000                  ?              ?              ?              ?
  1 1 1     -31  -28    6 o    2.425000      0.6347000       3.184000 0.9895000       1.667000      0.7951000       1.517000       1.269000
  1 1 1     -31  -28    7 o    4.084000       1.036000                  ?       ?   4.084000       1.036000                  ?              ?
  1 1 1     -31  -28    8 o    2.234000      0.6830000       2.454000 1.017000       2.014000      0.9123000      0.4400000       1.366000
  1 1 1     -31  -28    9 o    3.269000      0.7283000       3.552000 1.031000       2.986000       1.029000      0.5657000       1.457000
  1 1 1     -31  -28   10 o    2.432000      0.7003000       2.228000 0.9442000       2.637000       1.035000     -0.4097000       1.401000
  1 1 1     -31  -28   11 o    3.632000      0.7235000       3.996000 0.9434000       3.269000       1.097000      0.7273000       1.447000
  1 1 1     -31  -28   12 o    2.601000      0.7195000       2.256000 0.9488000       2.947000       1.082000     -0.6916000       1.439000
  1 1 1     -31  -28   13 o    3.390000       1.101000       3.390000 1.101000                  ?              ?              ?              ?
  1 1 1     -31  -27    1 o    2.593000      0.7143000       2.673000 0.9821000       2.512000       1.038000      0.1604000       1.429000
  1 1 1     -31  -27    2 o    4.414000      0.6258000       5.094000 0.6701000       3.734000       1.057000       1.359000       1.252000
  1 1 1     -31  -27    3 o    3.610000      0.6966000       3.736000 0.9188000       3.483000       1.047000      0.2531000       1.393000
  1 1 1     -31  -27    4 o    2.773000      0.6956000       3.110000 0.9425000       2.436000       1.023000      0.6738000       1.391000
  1 1 1     -31  -27    5 o    4.588000      0.7927000       4.588000 0.7927000                  ?              ?              ?              ?
  1 1 1     -31  -27    6 f    2.942000      0.6953000       3.234000 0.9348000       2.650000       1.030000      0.5839000       1.391000
  1 1 1     -31  -27    7 f    2.295000      0.9654000                  ?       ?   2.295000      0.9654000                  ?              ?
  1 1 1     -31  -27    8 o    4.386000      0.6411000       4.922000 0.8118000       3.851000      0.9924000       1.072000       1.282000
  1 1 1     -31  -27    9 o    6.927000      0.4638000       7.962000 0.5405000       5.891000      0.7538000       2.071000      0.9275000
  1 1 1     -31  -27   10 o    3.991000      0.7028000       4.435000 0.9223000       3.547000       1.061000      0.8881000       1.406000
  1 1 1     -31  -27   11 f    3.517000      0.7283000       3.186000 1.048000       3.848000       1.011000     -0.6615000       1.457000
  1 1 1     -31  -27   12 o    2.314000      0.6878000       2.446000 0.9931000       2.182000      0.9520000      0.2640000       1.376000
  1 1 1     -31  -27   13 o    3.561000      0.7165000       3.654000 0.9965000       3.467000       1.030000      0.1873000       1.433000
  1 1 1     -31  -27   14 o    2.502000      0.6944000       2.619000 0.9941000       2.385000      0.9697000      0.2342000       1.389000
  1 1 1     -31  -26    1 o    5.460000      0.5116000       4.798000 0.7485000       6.121000      0.6978000      -1.322000       1.023000
  1 1 1     -31  -26    2 o    6.440000      0.4511000       6.574000 0.5921000       6.307000      0.6808000      0.2671000      0.9023000
  1 1 1     -31  -26    3 o    2.716000      0.6711000       3.211000 0.9472000       2.221000      0.9511000      0.9902000       1.342000
  1 1 1     -31  -26    4 o    6.520000      0.4511000       6.576000 0.6116000       6.465000      0.6633000      0.1115000      0.9022000
  1 1 1     -31  -26    5 o    2.293000      0.6705000       2.506000 0.9486000       2.080000      0.9479000      0.4260000       1.341000
  1 1 1     -31  -26    6 o    2.322000      0.6801000       2.089000 0.9108000       2.555000       1.010000     -0.4663000       1.360000
  1 1 1     -31  -26    7 o    3.931000      0.6914000       3.390000 0.9946000       4.472000      0.9606000      -1.082000       1.383000
  1 1 1     -31  -26    8 o    6.641000      0.4597000       6.506000 0.6378000       6.777000      0.6623000     -0.2703000      0.9195000
  1 1 1     -31  -26    9 o    5.764000      0.5084000       6.061000 0.6518000       5.468000      0.7805000      0.5922000       1.017000
  1 1 1     -31  -26   10 o    2.375000      0.6811000       2.588000 1.000000       2.162000      0.9250000      0.4261000       1.362000
  1 1 1     -31  -26   11 o    2.367000      0.6800000       2.552000 0.9818000       2.182000      0.9412000      0.3696000       1.360000
  1 1 1     -31  -26   12 o    3.377000      0.7192000       2.882000 1.002000       3.872000       1.032000     -0.9906000       1.438000
  1 1 1     -31  -26   13 o    3.760000      0.6950000       3.541000 0.9583000       3.980000       1.007000     -0.4384000       1.390000
  1 1 1     -31  -26   14 o    2.133000      0.6446000       2.176000 0.9035000       2.090000      0.9196000      0.8660000E-01   1.289000
  1 1 1     -31  -26   15 o    2.985000      0.6862000       3.722000 0.9866000       2.249000      0.9539000       1.473000       1.372000
  1 1 1     -31  -25    1 o    8.069000      0.4968000       7.723000 0.6602000       8.415000      0.7426000     -0.6918000      0.9937000
  1 1 1     -31  -25    2 o    5.728000      0.6508000       5.368000 0.8109000       6.088000       1.018000     -0.7195000       1.302000
  1 1 1     -31  -25    3 o    3.081000      0.7133000       2.814000 1.001000       3.348000       1.016000     -0.5340000       1.427000
  1 1 1     -31  -25    4 o    5.009000      0.5907000       5.297000 0.7260000       4.721000      0.9320000      0.5756000       1.181000
  1 1 1     -31  -25    5 o    4.085000      0.6718000       4.390000 0.8800000       3.780000       1.015000      0.6103000       1.344000
  1 1 1     -31  -25    6 o    3.755000      0.7330000       3.857000 0.9904000       3.652000       1.081000      0.2044000       1.466000
  1 1 1     -31  -25    7 o    3.560000      0.7270000       3.676000 1.009000       3.444000       1.047000      0.2314000       1.454000
  1 1 1     -31  -25    8 o    3.195000      0.6844000       2.453000 0.9681000       3.937000      0.9676000      -1.484000       1.369000
  1 1 1     -31  -25    9 o    2.009000      0.6307000       2.048000 0.8873000       1.970000      0.8967000      0.7818000E-01   1.261000
  1 1 1     -31  -25   10 o    4.192000      0.6280000       5.663000 0.7187000       2.720000       1.030000       2.943000       1.256000
  1 1 1     -31  -25   11 o    2.929000      0.7430000       3.152000 1.043000       2.706000       1.058000      0.4462000       1.486000
  1 1 1     -31  -25   12 o    3.634000      0.7328000       4.162000 0.9510000       3.107000       1.115000       1.055000       1.466000
  1 1 1     -31  -25   13 o    3.480000      0.6547000       4.596000 0.8326000       2.364000       1.011000       2.231000       1.309000
  1 1 1     -31  -25   14 f    4.198000      0.6766000       4.837000 0.8056000       3.558000       1.087000       1.279000       1.353000
  1 1 1     -31  -25   15 o    3.499000      0.7313000       3.613000 1.016000       3.385000       1.052000      0.2281000       1.463000
  1 1 1     -31  -25   16 o    1.820000      0.5992000       1.822000 0.8440000       1.818000      0.8506000      0.3341000E-02   1.198000
  1 1 1     -31  -24    1 o    4.374000      0.6253000       4.820000 0.7651000       3.928000      0.9893000      0.8922000       1.251000
  1 1 1     -31  -24    2 o    3.392000      0.8380000       3.136000 1.077000       3.647000       1.284000     -0.5105000       1.676000
  1 1 1     -31  -24    3 f    3.138000      0.8255000       3.317000 1.132000       2.958000       1.202000      0.3589000       1.651000
  1 1 1     -31  -24    4 o    3.721000      0.6929000       3.487000 0.9636000       3.956000      0.9959000     -0.4692000       1.386000
  1 1 1     -31  -24    5 o    8.843000      0.3752000       9.264000 0.5153000       8.421000      0.5456000      0.8433000      0.7505000
  1 1 1     -31  -24    6 o    7.407000      0.3823000       8.368000 0.5144000       6.446000      0.5658000       1.922000      0.7647000
  1 1 1     -31  -24    7 o    2.834000      0.6724000       3.609000 0.9746000       2.058000      0.9265000       1.551000       1.345000
  1 1 1     -31  -24    8 o    4.873000      0.5760000       5.072000 0.7259000       4.675000      0.8945000      0.3968000       1.152000
  1 1 1     -31  -24    9 o    4.492000      0.6516000       5.212000 0.8332000       3.772000       1.002000       1.440000       1.303000
  1 1 1     -31  -24   10 o    4.008000      0.6605000       5.176000 0.7988000       2.840000       1.052000       2.336000       1.321000
  1 1 1     -31  -24   11 o    3.246000      0.7250000       2.930000 1.013000       3.562000       1.037000     -0.6324000       1.450000
  1 1 1     -31  -24   12 o    4.622000      0.6006000       4.536000 0.8162000       4.708000      0.8812000     -0.1724000       1.201000
  1 1 1     -31  -24   13 o    4.819000      0.5776000       3.995000 0.8810000       5.644000      0.7472000      -1.649000       1.155000
  1 1 1     -31  -24   14 f    3.811000      0.6727000       4.620000 0.8619000       3.002000       1.033000       1.618000       1.345000
  1 1 1     -31  -24   15 o    3.295000      0.7012000       2.677000 1.016000       3.913000      0.9663000      -1.236000       1.402000
  1 1 1     -31  -24   16 o    3.168000      0.7309000       2.782000 1.029000       3.553000       1.038000     -0.7709000       1.462000
  1 1 1     -31  -24   17 o    2.514000      0.7108000       2.737000 1.023000       2.290000      0.9875000      0.4474000       1.422000
  1 1 1     -31  -23    1 o    5.589000      0.5046000       6.080000 0.6298000       5.098000      0.7885000      0.9816000       1.009000
  1 1 1     -31  -23    2 o    3.128000      0.7194000       3.005000 1.005000       3.251000       1.030000     -0.2459000       1.439000
  1 1 1     -31  -23    3 o    3.606000      0.7380000       4.797000 0.9716000       2.414000       1.111000       2.383000       1.476000
  1 1 1     -31  -23    4 o    4.798000      0.7712000       3.652000 1.121000       5.945000       1.060000      -2.293000       1.542000
  1 1 1     -31  -23    5 o    5.326000      0.5663000       5.170000 0.7767000       5.481000      0.8243000     -0.3117000       1.133000
  1 1 1     -31  -23    6 o    2.192000      0.9380000       2.192000 0.9380000                  ?              ?              ?              ?
  1 1 1     -31  -23    7 o    3.144000      0.7470000       3.145000 1.020000       3.143000       1.092000      0.1412000E-02   1.494000
  1 1 1     -31  -23    8 o    8.675000      0.5819000                  ?       ?   8.675000      0.5819000                  ?              ?
  1 1 1     -31  -23    9 f    6.637000      0.4873000       6.257000 0.6871000       7.017000      0.6912000     -0.7602000      0.9746000
  1 1 1     -31  -23   10 f    4.002000      0.7132000       4.006000 0.9876000       3.998000       1.029000      0.8477000E-02   1.426000
  1 1 1     -31  -23   11 o    3.360000      0.7314000       3.718000 0.9957000       3.002000       1.072000      0.7159000       1.463000
  1 1 1     -31  -23   12 o    3.930000      0.7009000       3.516000 1.045000       4.343000      0.9343000     -0.8276000       1.402000
  1 1 1     -31  -23   13 o    3.714000      0.6870000       2.735000 1.035000       4.694000      0.9038000      -1.960000       1.374000
  1 1 1     -31  -23   14 o    2.725000      0.7331000       2.446000 0.9931000       3.003000       1.079000     -0.5569000       1.466000
  1 1 1     -31  -23   15 o    4.230000      0.6966000       3.953000 0.9904000       4.508000      0.9799000     -0.5551000       1.393000
  1 1 1     -31  -23   16 o    2.097000      0.6497000       2.111000 0.9130000       2.082000      0.9246000      0.2960000E-01   1.299000
  1 1 1     -31  -23   17 o    3.544000      0.6842000       2.499000 1.000000       4.589000      0.9338000      -2.090000       1.368000
  1 1 1     -31  -23   18 o    3.666000      0.9711000                  ?       ?   3.666000      0.9711000                  ?              ?
  1 1 1     -31  -22    1 f    2.922000      0.8135000       2.478000 1.100000       3.366000       1.199000     -0.8886000       1.627000
  1 1 1     -31  -22    2 o    8.331000      0.3770000       8.161000 0.5257000       8.501000      0.5404000     -0.3406000      0.7539000
  1 1 1     -31  -22    3 o    2.508000      0.6942000       2.008000 0.8813000       3.008000       1.073000      -1.001000       1.388000
  1 1 1     -31  -22    4 o    4.568000      0.8262000       4.824000 0.9721000       4.311000       1.336000      0.5125000       1.652000
  1 1 1     -31  -22    5 o    3.915000      0.8731000       3.340000 1.129000       4.490000       1.332000      -1.150000       1.746000
  1 1 1     -31  -22    6 o    5.994000      0.5866000       7.162000 0.5960000       4.826000       1.011000       2.336000       1.173000
  1 1 1     -31  -22    7 o    3.132000      0.7358000       3.116000 1.017000       3.149000       1.063000     -0.3249000E-01   1.472000
  1 1 1     -31  -22    8 o    5.288000      0.8065000                  ?       ?   5.288000      0.8065000                  ?              ?
  1 1 1     -31  -22    9 f    5.509000      0.5255000       5.528000 0.7009000       5.489000      0.7830000      0.3860000E-01   1.051000
  1 1 1     -31  -22   10 o    5.073000      0.6235000       5.633000 0.7785000       4.513000      0.9740000       1.120000       1.247000
  1 1 1     -31  -22   11 o    3.104000      0.7596000       3.013000 1.055000       3.195000       1.093000     -0.1817000       1.519000
  1 1 1     -31  -22   12 o    3.753000      0.7145000       3.563000 0.9734000       3.944000       1.046000     -0.3807000       1.429000
  1 1 1     -31  -22   13 o    2.557000      0.7197000       2.541000 1.003000       2.572000       1.032000     -0.3045000E-01   1.439000
  1 1 1     -31  -22   14 o    2.943000      0.7002000       2.111000 0.9296000       3.774000       1.047000      -1.663000       1.400000
  1 1 1     -31  -22   15 o    2.716000      0.7322000       2.397000 0.9797000       3.035000       1.089000     -0.6380000       1.464000
  1 1 1     -31  -22   16 o    2.313000      0.6944000       2.456000 0.9935000       2.171000      0.9705000      0.2849000       1.389000
  1 1 1     -31  -22   17 o    3.491000      0.7094000       4.121000 0.9492000       2.861000       1.055000       1.260000       1.419000
  1 1 1     -31  -22   18 o    2.415000      0.6794000       2.922000 1.040000       1.909000      0.8749000       1.012000       1.359000
  1 1 1     -31  -21    1 o    3.082000      0.6513000       2.059000 0.8839000       4.104000      0.9568000      -2.045000       1.303000
  1 1 1     -31  -21    2 o    5.657000      0.7516000       6.717000 0.9616000       4.597000       1.155000       2.120000       1.503000
  1 1 1     -31  -21    3 o    5.488000      0.5418000       5.926000 0.6665000       5.051000      0.8543000      0.8754000       1.084000
  1 1 1     -31  -21    4 o    10.11000      0.3430000       9.848000 0.4795000       10.37000      0.4906000     -0.5265000      0.6861000
  1 1 1     -31  -21    5 o    3.286000      0.8490000       2.565000 1.059000       4.007000       1.327000      -1.442000       1.698000
  1 1 1     -31  -21    6 f    5.789000      0.7482000       6.452000 0.8223000       5.126000       1.250000       1.326000       1.496000
  1 1 1     -31  -21    7 o    3.878000      0.7151000       3.598000 0.9911000       4.158000       1.031000     -0.5596000       1.430000
  1 1 1     -31  -21    8 o    4.249000      0.6582000       3.190000 1.022000       5.307000      0.8291000      -2.116000       1.316000
  1 1 1     -31  -21    9 o    6.654000      0.4831000       7.287000 0.6042000       6.021000      0.7539000       1.266000      0.9661000
  1 1 1     -31  -21   10 o    9.082000      0.3757000       9.443000 0.5188000       8.720000      0.5435000      0.7229000      0.7514000
  1 1 1     -31  -21   11 o    2.059000      0.6366000       2.550000 1.021000       1.569000      0.7611000      0.9808000       1.273000
  1 1 1     -31  -21   12 o    2.628000      0.7165000       2.934000 1.046000       2.322000      0.9791000      0.6122000       1.433000
  1 1 1     -31  -21   13 o    6.385000      0.4830000       6.105000 0.7300000       6.665000      0.6325000     -0.5601000      0.9659000
  1 1 1     -31  -21   14 o    6.809000      0.4746000       7.554000 0.6020000       6.064000      0.7338000       1.490000      0.9492000
  1 1 1     -31  -21   15 o    7.802000      0.4126000       8.042000 0.5491000       7.562000      0.6159000      0.4797000      0.8251000
  1 1 1     -31  -21   16 o    2.834000      0.7333000       2.539000 0.9989000       3.128000       1.074000     -0.5885000       1.467000
  1 1 1     -31  -21   17 o    4.417000      0.6796000       4.848000 0.8887000       3.986000       1.028000      0.8618000       1.359000
  1 1 1     -31  -21   18 o    5.987000      0.4961000       6.184000 0.6802000       5.790000      0.7223000      0.3936000      0.9922000
  1 1 1     -31  -21   19 f    3.484000      0.8116000       4.158000 1.271000       2.810000       1.009000       1.348000       1.623000
  1 1 1     -31  -20    1 o    4.411000      0.6256000       4.811000 0.7758000       4.011000      0.9816000      0.8002000       1.251000
  1 1 1     -31  -20    2 o    3.210000      0.7700000       2.761000 1.178000       3.658000      0.9916000     -0.8966000       1.540000
  1 1 1     -31  -20    3 o    6.970000      0.6412000       7.674000 0.8646000       6.267000      0.9470000       1.407000       1.282000
  1 1 1     -31  -20    4 o    7.931000      0.3846000       8.006000 0.5215000       7.856000      0.5656000      0.1499000      0.7693000
  1 1 1     -31  -20    5 o    2.193000      0.6698000       2.035000 0.8975000       2.350000      0.9946000     -0.3147000       1.340000
  1 1 1     -31  -20    6 o    3.556000      0.8073000       4.319000 1.094000       2.792000       1.188000       1.527000       1.615000
  1 1 1     -31  -20    7 o    5.000000      0.6176000       5.757000 0.7060000       4.243000       1.013000       1.514000       1.235000
  1 1 1     -31  -20    8 f    5.992000      0.5040000       6.060000 0.6544000       5.923000      0.7667000      0.1375000       1.008000
  1 1 1     -31  -20    9 o    4.586000      0.6568000       4.074000 0.9641000       5.099000      0.8921000      -1.025000       1.314000
  1 1 1     -31  -20   10 o    5.318000      0.5769000       5.649000 0.7401000       4.987000      0.8853000      0.6617000       1.154000
  1 1 1     -31  -20   11 o    3.506000      0.7008000       4.392000 0.9622000       2.619000       1.019000       1.774000       1.402000
  1 1 1     -31  -20   12 o    5.482000      0.5762000       5.668000 0.7965000       5.297000      0.8328000      0.3713000       1.152000
  1 1 1     -31  -20   13 o    6.991000      0.4559000       7.303000 0.6079000       6.678000      0.6796000      0.6248000      0.9118000
  1 1 1     -31  -20   14 o    7.031000      0.4381000       7.136000 0.6164000       6.926000      0.6226000      0.2104000      0.8761000
  1 1 1     -31  -20   15 o    5.872000      0.5147000       6.120000 0.6952000       5.625000      0.7591000      0.4949000       1.029000
  1 1 1     -31  -20   16 o    3.131000      0.7420000       2.836000 1.029000       3.426000       1.069000     -0.5902000       1.484000
  1 1 1     -31  -20   17 o    5.074000      0.6026000       5.985000 0.6768000       4.164000      0.9972000       1.821000       1.205000
  1 1 1     -31  -20   18 o    2.791000      0.7201000       2.844000 1.020000       2.738000       1.017000      0.1057000       1.440000
  1 1 1     -31  -20   19 o    2.166000      0.6559000       2.140000 0.9177000       2.192000      0.9374000     -0.5186000E-01   1.312000
  1 1 1     -31  -19    1 o    3.749000      0.6485000       2.926000 0.9581000       4.572000      0.8742000      -1.646000       1.297000
  1 1 1     -31  -19    2 o    2.962000      0.7068000       3.206000 0.9590000       2.717000       1.039000      0.4896000       1.414000
  1 1 1     -31  -19    3 o    3.726000      0.8574000       3.568000 1.224000       3.883000       1.201000     -0.3154000       1.715000
  1 1 1     -31  -19    4 o    4.475000      0.8327000       5.156000 1.130000       3.794000       1.223000       1.362000       1.665000
  1 1 1     -31  -19    5 o    4.433000      0.6373000       3.715000 0.9737000       5.150000      0.8224000      -1.435000       1.275000
  1 1 1     -31  -19    6 o    3.754000      0.7388000       4.373000 0.8095000       3.136000       1.236000       1.237000       1.478000
  1 1 1     -31  -19    7 o    3.621000       1.165000       3.621000 1.165000                  ?              ?              ?              ?
  1 1 1     -31  -19    8 o    2.505000      0.7043000       2.455000 0.9722000       2.554000       1.019000     -0.9883000E-01   1.409000
  1 1 1     -31  -19    9 o    1.821000      0.8503000                  ?       ?   1.821000      0.8503000                  ?              ?
  1 1 1     -31  -19   10 o    8.611000      0.3868000       9.454000 0.5133000       7.767000      0.5787000       1.686000      0.7735000
  1 1 1     -31  -19   11 o    2.242000      0.6481000       2.838000 1.025000       1.646000      0.7929000       1.192000       1.296000
  1 1 1     -31  -19   12 o    3.570000      0.7056000       2.906000 1.021000       4.234000      0.9742000      -1.327000       1.411000
  1 1 1     -31  -19   13 o    4.770000      0.6156000       5.444000 0.7144000       4.096000       1.003000       1.347000       1.231000
  1 1 1     -31  -19   14 o    7.616000      0.4122000       7.843000 0.5588000       7.390000      0.6061000      0.4526000      0.8244000
  1 1 1     -31  -19   15 o    2.655000      0.6871000       2.044000 0.8988000       3.266000       1.039000      -1.222000       1.374000
  1 1 1     -31  -19   16 o    1.881000      0.6105000       1.946000 0.8787000       1.816000      0.8476000      0.1305000       1.221000
  1 1 1     -31  -19   17 o    5.807000      0.5444000       4.592000 0.9018000       7.023000      0.6100000      -2.430000       1.089000
  1 1 1     -31  -19   18 o    4.559000      0.6344000       5.643000 0.7065000       3.476000       1.054000       2.168000       1.269000
  1 1 1     -31  -19   19 o    2.808000      0.7052000       2.425000 0.9751000       3.192000       1.019000     -0.7670000       1.410000
  1 1 1     -31  -19   20 o    2.695000      0.7282000       2.432000 1.043000       2.958000       1.016000     -0.5260000       1.456000
  1 1 1     -31  -18    1 o    3.264000      0.6520000       2.367000 0.9325000       4.161000      0.9115000      -1.794000       1.304000
  1 1 1     -31  -18    2 o    2.371000      0.6578000       1.891000 0.8432000       2.851000       1.010000     -0.9599000       1.316000
  1 1 1     -31  -18    3 o    3.322000      0.6754000       2.557000 0.9608000       4.088000      0.9496000      -1.530000       1.351000
  1 1 1     -31  -18    4 o    2.532000      0.7716000       2.374000 1.063000       2.689000       1.119000     -0.3149000       1.543000
  1 1 1     -31  -18    5 f    4.104000      0.6651000       4.023000 0.9335000       4.185000      0.9475000     -0.1622000       1.330000
  1 1 1     -31  -18    6 o    5.059000      0.5784000       4.683000 0.8380000       5.435000      0.7975000     -0.7519000       1.157000
  1 1 1     -31  -18    7 o    3.200000       1.142000       3.200000 1.142000                  ?              ?              ?              ?
  1 1 1     -31  -18    8 o    3.321000      0.7201000       3.138000 1.008000       3.504000       1.028000     -0.3660000       1.440000
  1 1 1     -31  -18    9 o    3.877000      0.9828000                  ?       ?   3.877000      0.9828000                  ?              ?
  1 1 1     -31  -18   10 o    3.844000      0.6525000       4.944000 0.8034000       2.744000       1.028000       2.200000       1.305000
  1 1 1     -31  -18   11 o    10.28000      0.3507000       10.40000 0.4923000       10.16000      0.4995000      0.2454000      0.7014000
  1 1 1     -31  -18   12 o    3.999000      0.6643000       4.792000 0.8088000       3.205000       1.054000       1.587000       1.329000
  1 1 1     -31  -18   13 o    3.236000      0.7416000       3.158000 1.040000       3.315000       1.058000     -0.1578000       1.483000
  1 1 1     -31  -18   14 o    7.437000      0.4191000       7.220000 0.5945000       7.654000      0.5910000     -0.4342000      0.8383000
  1 1 1     -31  -18   15 o    3.171000      0.6994000       3.739000 0.9626000       2.602000       1.015000       1.137000       1.399000
  1 1 1     -31  -18   16 o    2.899000      0.7156000       2.502000 0.9922000       3.295000       1.031000     -0.7938000       1.431000
  1 1 1     -31  -18   17 o    5.102000      0.5613000       4.720000 0.8034000       5.483000      0.7841000     -0.7632000       1.123000
  1 1 1     -31  -18   18 o    2.992000      0.7384000       2.606000 1.027000       3.378000       1.061000     -0.7717000       1.477000
  1 1 1     -31  -18   19 o    2.921000      0.6930000       3.538000 0.9977000       2.303000      0.9623000       1.235000       1.386000
  1 1 1     -31  -18   20 o    4.246000      0.6539000       5.047000 0.8107000       3.444000       1.026000       1.603000       1.308000
  1 1 1     -31  -17    1 o    6.805000      0.4007000       7.041000 0.5201000       6.569000      0.6098000      0.4718000      0.8015000
  1 1 1     -31  -17    2 o    5.479000      0.4841000       5.817000 0.6035000       5.141000      0.7570000      0.6758000      0.9682000
  1 1 1     -31  -17    3 o    7.895000      0.3822000       8.657000 0.4794000       7.133000      0.5955000       1.524000      0.7645000
  1 1 1     -31  -17    4 o    9.873000      0.4645000       10.26000 0.6586000       9.482000      0.6553000      0.7827000      0.9291000
  1 1 1     -31  -17    5 o    10.88000      0.4535000       10.48000 0.6515000       11.29000      0.6311000     -0.8051000      0.9070000
  1 1 1     -31  -17    6 o    4.722000      0.5893000       4.391000 0.8626000       5.053000      0.8032000     -0.6626000       1.179000
  1 1 1     -31  -17    7 o    4.741000      0.7903000       4.290000 1.186000       5.192000       1.045000     -0.9025000       1.581000
  1 1 1     -31  -17    8 o    3.198000      0.8297000       3.254000 1.155000       3.142000       1.192000      0.1121000       1.659000
  1 1 1     -31  -17    9 o    5.456000      0.5131000       5.593000 0.6825000       5.319000      0.7663000      0.2739000       1.026000
  1 1 1     -31  -17   10 o    11.90000      0.3278000       12.01000 0.4606000       11.79000      0.4664000      0.2227000      0.6555000
  1 1 1     -31  -17   11 o    8.282000      0.3913000       8.217000 0.5523000       8.346000      0.5544000     -0.1290000      0.7826000
  1 1 1     -31  -17   12 o    4.505000      0.6219000       4.739000 0.8410000       4.272000      0.9163000      0.4668000       1.244000
  1 1 1     -31  -17   13 o    4.742000      0.6200000       5.456000 0.7414000       4.028000      0.9939000       1.428000       1.240000
  1 1 1     -31  -17   14 o    5.142000      0.5788000       4.410000 0.8947000       5.873000      0.7347000      -1.464000       1.158000
  1 1 1     -31  -17   15 o    3.234000      0.7078000       2.423000 0.9873000       4.046000       1.015000      -1.623000       1.416000
  1 1 1     -31  -17   16 o    3.923000      0.6964000       3.507000 1.023000       4.339000      0.9448000     -0.8318000       1.393000
  1 1 1     -31  -17   17 o    2.137000      0.6499000       2.472000 0.9883000       1.801000      0.8442000      0.6710000       1.300000
  1 1 1     -31  -17   18 o    2.771000      0.7238000       2.880000 1.020000       2.661000       1.027000      0.2191000       1.448000
  1 1 1     -31  -17   19 o    2.196000      0.6532000       2.561000 0.9977000       1.831000      0.8435000      0.7295000       1.306000
  1 1 1     -31  -17   20 o    3.242000      0.6647000       2.323000 0.9689000       4.161000      0.9103000      -1.838000       1.329000
  1 1 1     -31  -16    1 o    4.791000      0.5286000       4.680000 0.7151000       4.902000      0.7786000     -0.2218000       1.057000
  1 1 1     -31  -16    2 f    4.114000      0.6003000       3.897000 0.8621000       4.330000      0.8355000     -0.4325000       1.201000
  1 1 1     -31  -16    3 o    6.435000      0.4192000       6.066000 0.6121000       6.803000      0.5731000     -0.7363000      0.8385000
  1 1 1     -31  -16    4 o    7.452000      0.3780000       7.403000 0.5141000       7.502000      0.5542000     -0.9924000E-01  0.7559000
  1 1 1     -31  -16    5 o    9.711000      0.4642000       9.802000 0.6593000       9.620000      0.6535000      0.1814000      0.9283000
  1 1 1     -31  -16    6 o    2.121000      0.6408000       2.182000 0.9023000       2.060000      0.9102000      0.1219000       1.282000
  1 1 1     -31  -16    7 o    8.242000      0.3746000       8.704000 0.4938000       7.779000      0.5635000      0.9255000      0.7493000
  1 1 1     -31  -16    8 o    4.041000      0.8475000       4.072000 1.188000       4.011000       1.209000      0.6066000E-01   1.695000
  1 1 1     -31  -16    9 o    4.422000      0.6155000       3.566000 0.9709000       5.278000      0.7567000      -1.712000       1.231000
  1 1 1     -31  -16   10 o    8.095000      0.3888000       7.994000 0.5486000       8.196000      0.5511000     -0.2024000      0.7776000
  1 1 1     -31  -16   11 o    2.554000      0.7097000       2.852000 1.048000       2.256000      0.9575000      0.5958000       1.419000
  1 1 1     -31  -16   12 o    2.330000      0.6797000       2.119000 0.9320000       2.542000      0.9895000     -0.4230000       1.359000
  1 1 1     -31  -16   13 o    6.007000      0.5039000       5.637000 0.7367000       6.376000      0.6876000     -0.7391000       1.008000
  1 1 1     -31  -16   14 o    4.281000      0.6775000       4.604000 0.9016000       3.958000       1.012000      0.6461000       1.355000
  1 1 1     -31  -16   15 o    3.677000      0.7247000       4.095000 0.9832000       3.259000       1.065000      0.8364000       1.449000
  1 1 1     -31  -16   16 o    2.154000      0.6612000       2.287000 0.9596000       2.020000      0.9100000      0.2662000       1.322000
  1 1 1     -31  -16   17 o    4.037000      0.6916000       4.553000 0.8764000       3.520000       1.070000       1.034000       1.383000
  1 1 1     -31  -16   18 o    2.410000      0.6699000       1.838000 0.8512000       2.982000       1.035000      -1.144000       1.340000
  1 1 1     -31  -16   19 o    2.961000      0.7257000       3.204000 1.035000       2.717000       1.018000      0.4870000       1.451000
  1 1 1     -31  -16   20 o    2.209000      0.6565000       1.954000 0.8737000       2.463000      0.9802000     -0.5083000       1.313000
  1 1 1     -31  -15    1 o    1.961000      0.5952000       1.669000 0.7645000       2.254000      0.9126000     -0.5850000       1.190000
  1 1 1     -31  -15    2 o    7.412000      0.3671000       7.288000 0.5031000       7.537000      0.5346000     -0.2488000      0.7341000
  1 1 1     -31  -15    3 o    3.597000      0.6328000       4.425000 0.8011000       2.770000      0.9797000       1.655000       1.266000
  1 1 1     -31  -15    4 o    3.340000      0.6304000       2.304000 0.9155000       4.376000      0.8669000      -2.072000       1.261000
  1 1 1     -31  -15    5 o    10.84000      0.4329000       10.84000 0.6241000       10.83000      0.6001000      0.1248000E-01  0.8658000
  1 1 1     -31  -15    6 o    2.321000      0.6675000       2.353000 0.9386000       2.289000      0.9493000      0.6411000E-01   1.335000
  1 1 1     -31  -15    7 o    9.666000      0.3472000       9.869000 0.4681000       9.463000      0.5130000      0.4052000      0.6945000
  1 1 1     -31  -15    8 o    4.197000      0.8464000       4.577000 1.148000       3.817000       1.244000      0.7598000       1.693000
  1 1 1     -31  -15    9 o    6.006000      0.4770000       5.566000 0.7292000       6.447000      0.6150000     -0.8805000      0.9540000
  1 1 1     -31  -15   10 o    3.787000      0.6768000       4.439000 0.8320000       3.135000       1.068000       1.304000       1.354000
  1 1 1     -31  -15   11 f    4.455000      0.6513000       4.458000 0.9369000       4.452000      0.9050000      0.5867000E-02   1.303000
  1 1 1     -31  -15   12 o    2.840000      0.7266000       2.665000 1.017000       3.015000       1.038000     -0.3501000       1.453000
  1 1 1     -31  -15   13 o    2.505000      0.6789000       1.824000 0.8490000       3.186000       1.060000      -1.362000       1.358000
  1 1 1     -31  -15   14 o    6.259000      0.4860000       6.400000 0.6594000       6.118000      0.7142000      0.2824000      0.9721000
  1 1 1     -31  -15   15 o    6.697000      0.4640000       7.051000 0.6077000       6.344000      0.7015000      0.7070000      0.9281000
  1 1 1     -31  -15   16 o    4.396000      0.6602000       4.143000 0.9419000       4.650000      0.9254000     -0.5078000       1.320000
  1 1 1     -31  -15   17 o    2.239000      0.6785000       2.225000 0.9571000       2.253000      0.9621000     -0.2777000E-01   1.357000
  1 1 1     -31  -15   18 o    2.115000      0.6506000       2.061000 0.9072000       2.170000      0.9329000     -0.1090000       1.301000
  1 1 1     -31  -15   19 o    2.044000      0.6377000       1.785000 0.8357000       2.303000      0.9636000     -0.5183000       1.275000
  1 1 1     -31  -15   20 o    3.706000      0.6632000       4.264000 0.8681000       3.147000       1.003000       1.117000       1.326000
  1 1 1     -31  -14    1 o    10.79000      0.3018000       10.70000 0.4251000       10.88000      0.4285000     -0.1793000      0.6036000
  1 1 1     -31  -14    2 o    13.57000      0.2989000       13.38000 0.4190000       13.77000      0.4264000     -0.3914000      0.5978000
  1 1 1     -31  -14    3 o    5.670000      0.4513000       6.269000 0.5658000       5.071000      0.7032000       1.198000      0.9026000
  1 1 1     -31  -14    4 o    2.876000      0.6766000       2.468000 0.9429000       3.285000      0.9706000     -0.8172000       1.353000
  1 1 1     -31  -14    5 o    6.792000      0.5650000       7.794000 0.6924000       5.791000      0.8930000       2.003000       1.130000
  1 1 1     -31  -14    6 o    4.213000      0.7367000       2.894000 1.137000       5.532000      0.9371000      -2.638000       1.473000
  1 1 1     -31  -14    7 o    9.364000      0.3476000       9.132000 0.4828000       9.597000      0.5001000     -0.4641000      0.6951000
  1 1 1     -31  -14    8 o    5.295000      0.9979000       5.295000 0.9979000                  ?              ?              ?              ?
  1 1 1     -31  -14    9 o    4.249000      0.8438000       4.099000 1.160000       4.398000       1.226000     -0.2989000       1.688000
  1 1 1     -31  -14   10 o    7.798000      0.5714000                  ?       ?   7.798000      0.5714000                  ?              ?
  1 1 1     -31  -14   11 o    2.265000      0.6764000       2.461000 0.9967000       2.070000      0.9146000      0.3909000       1.353000
  1 1 1     -31  -14   12 o    4.633000      0.6159000       4.516000 0.8998000       4.750000      0.8412000     -0.2338000       1.232000
  1 1 1     -31  -14   13 o    3.459000      0.7311000       3.217000 1.049000       3.701000       1.019000     -0.4844000       1.462000
  1 1 1     -31  -14   14 o    6.837000      0.4493000       6.362000 0.6567000       7.312000      0.6134000     -0.9500000      0.8987000
  1 1 1     -31  -14   15 o    8.587000      0.3777000       8.848000 0.5032000       8.326000      0.5634000      0.5222000      0.7554000
  1 1 1     -31  -14   16 f    2.061000      0.6406000       2.230000 0.9411000       1.893000      0.8695000      0.3371000       1.281000
  1 1 1     -31  -14   17 o    3.238000      0.7102000       2.572000 0.9979000       3.904000       1.011000      -1.332000       1.420000
  1 1 1     -31  -14   18 o    7.210000      0.4203000       7.157000 0.6062000       7.264000      0.5824000     -0.1064000      0.8407000
  1 1 1     -31  -14   19 o    3.817000      0.6966000       4.424000 0.9385000       3.210000       1.030000       1.214000       1.393000
  1 1 1     -31  -14   20 o    2.108000      0.6373000       2.335000 0.9449000       1.880000      0.8555000      0.4549000       1.275000
  1 1 1     -31  -14   21 o    2.847000       1.010000                  ?       ?   2.847000       1.010000                  ?              ?
  1 1 1     -31  -13    1 o    3.765000      0.6199000       3.893000 0.8401000       3.638000      0.9118000      0.2550000       1.240000
  1 1 1     -31  -13    2 o    3.557000      0.6287000       2.702000 0.9425000       4.413000      0.8322000      -1.710000       1.257000
  1 1 1     -31  -13    3 o    7.320000      0.3736000       7.096000 0.5313000       7.545000      0.5255000     -0.4491000      0.7473000
  1 1 1     -31  -13    4 o    7.311000      0.3765000       7.166000 0.5231000       7.456000      0.5418000     -0.2903000      0.7531000
  1 1 1     -31  -13    5 o    6.581000      0.5772000       6.237000 0.8737000       6.925000      0.7544000     -0.6884000       1.154000
  1 1 1     -31  -13    6 o    6.294000      0.5972000       5.757000 0.9156000       6.831000      0.7672000      -1.074000       1.194000
  1 1 1     -31  -13    7 o    11.89000      0.3254000       11.20000 0.4587000       12.57000      0.4618000      -1.371000      0.6509000
  1 1 1     -31  -13    8 o    6.306000      0.9448000       6.306000 0.9448000                  ?              ?              ?              ?
  1 1 1     -31  -13    9 o    3.026000      0.8343000       3.205000 1.173000       2.847000       1.187000      0.3579000       1.669000
  1 1 1     -31  -13   10 o    5.366000      0.7476000                  ?       ?   5.366000      0.7476000                  ?              ?
  1 1 1     -31  -13   11 o    9.699000      0.3573000       9.661000 0.5050000       9.737000      0.5057000     -0.7632000E-01  0.7146000
  1 1 1     -31  -13   12 o    5.411000      0.5333000       5.467000 0.7663000       5.355000      0.7418000      0.1115000       1.067000
  1 1 1     -31  -13   13 o    6.273000      0.4603000       6.555000 0.6207000       5.990000      0.6798000      0.5649000      0.9205000
  1 1 1     -31  -13   14 o    7.044000      0.4220000       6.953000 0.5842000       7.135000      0.6091000     -0.1815000      0.8440000
  1 1 1     -31  -13   15 o    4.745000      0.7042000       5.604000 1.001000       3.886000      0.9904000       1.718000       1.408000
  1 1 1     -31  -13   16 o    3.171000      0.7153000       3.328000 0.9921000       3.014000       1.031000      0.3140000       1.431000
  1 1 1     -31  -13   17 o    8.027000      0.3894000       8.127000 0.5411000       7.927000      0.5600000      0.2003000      0.7788000
  1 1 1     -31  -13   18 o    4.463000      0.6338000       4.479000 0.8963000       4.446000      0.8965000      0.3318000E-01   1.268000
  1 1 1     -31  -13   19 o    2.272000      0.6711000       1.928000 0.8872000       2.616000       1.007000     -0.6880000       1.342000
  1 1 1     -31  -13   20 o    5.937000      0.4864000       5.766000 0.7124000       6.108000      0.6623000     -0.3422000      0.9727000
  1 1 1     -31  -13   21 o    3.323000       1.079000                  ?       ?   3.323000       1.079000                  ?              ?
  1 1 1     -31  -12    1 o    10.03000      0.3037000       9.811000 0.4335000       10.25000      0.4255000     -0.4405000      0.6074000
  1 1 1     -31  -12    2 o    8.780000      0.3284000       9.054000 0.4565000       8.505000      0.4723000      0.5493000      0.6569000
  1 1 1     -31  -12    3 o    4.162000      0.6071000       4.110000 0.8479000       4.214000      0.8691000     -0.1046000       1.214000
  1 1 1     -31  -12    4 o    3.541000      0.6589000       3.492000 0.9233000       3.591000      0.9401000     -0.9852000E-01   1.318000
  1 1 1     -31  -12    5 o    4.683000      0.5259000       3.419000 0.8659000       5.946000      0.5971000      -2.527000       1.052000
  1 1 1     -31  -12    6 o    7.489000      0.5494000       7.861000 0.7495000       7.118000      0.8036000      0.7427000       1.099000
  1 1 1     -31  -12    7 o    17.46000      0.3272000       17.33000 0.4595000       17.59000      0.4660000     -0.2603000      0.6544000
  1 1 1     -31  -12    8 o    4.527000      0.8601000       5.138000 1.127000       3.915000       1.300000       1.223000       1.720000
  1 1 1     -31  -12    9 f    4.682000      0.7864000       5.988000 0.9411000       3.376000       1.260000       2.612000       1.573000
  1 1 1     -31  -12   10 o    2.545000      0.6711000       1.922000 0.8696000       3.168000       1.022000      -1.246000       1.342000
  1 1 1     -31  -12   11 o    6.907000      0.4442000       6.742000 0.6242000       7.072000      0.6322000     -0.3294000      0.8884000
  1 1 1     -31  -12   12 o    4.220000      0.6595000       4.694000 0.8691000       3.746000      0.9920000      0.9482000       1.319000
  1 1 1     -31  -12   13 o    4.564000      0.6271000       4.141000 0.9605000       4.987000      0.8067000     -0.8461000       1.254000
  1 1 1     -31  -12   14 o    5.107000      0.5967000       5.915000 0.6871000       4.299000      0.9759000       1.615000       1.193000
  1 1 1     -31  -12   15 o    3.435000      0.7092000       2.778000 1.014000       4.091000      0.9914000      -1.314000       1.418000
  1 1 1     -31  -12   16 f    4.007000      0.6963000       4.117000 0.9631000       3.897000       1.006000      0.2198000       1.393000
  1 1 1     -31  -12   17 o    5.397000      0.5686000       4.260000 0.9390000       6.535000      0.6414000      -2.275000       1.137000
  1 1 1     -31  -12   18 o    4.257000      0.6429000       4.263000 0.9280000       4.251000      0.8901000      0.1181000E-01   1.286000
  1 1 1     -31  -12   19 o    4.062000      0.6703000       4.732000 0.8714000       3.393000       1.019000       1.340000       1.341000
  1 1 1     -31  -12   20 f    9.528000      0.3486000       9.369000 0.4868000       9.687000      0.4992000     -0.3180000      0.6972000
  1 1 1     -31  -11    1 o    3.456000      0.6341000       3.550000 0.8800000       3.362000      0.9132000      0.1881000       1.268000
  1 1 1     -31  -11    2 o    3.706000      0.6164000       4.497000 0.7641000       2.916000      0.9674000       1.581000       1.233000
  1 1 1     -31  -11    3 o    4.316000      0.5841000       4.421000 0.8004000       4.211000      0.8511000      0.2105000       1.168000
  1 1 1     -31  -11    4 o    4.444000      0.5791000       4.572000 0.7755000       4.317000      0.8601000      0.2549000       1.158000
  1 1 1     -31  -11    5 f    8.240000      0.3349000       8.101000 0.4565000       8.378000      0.4901000     -0.2770000      0.6698000
  1 1 1     -31  -11    6 o    7.441000      0.5177000       7.112000 0.7768000       7.771000      0.6845000     -0.6581000       1.035000
  1 1 1     -31  -11    7 o    6.645000      0.4375000       6.559000 0.6255000       6.732000      0.6119000     -0.1730000      0.8750000
  1 1 1     -31  -11    8 o    3.998000      0.8777000       3.938000 1.205000       4.059000       1.276000     -0.1214000       1.755000
  1 1 1     -31  -11    9 o    4.358000      0.7624000       5.991000 0.9506000       2.725000       1.192000       3.266000       1.525000
  1 1 1     -31  -11   10 f    4.993000      0.5574000       4.318000 0.8875000       5.669000      0.6747000      -1.351000       1.115000
  1 1 1     -31  -11   11 o    2.562000      0.7003000       2.760000 1.013000       2.363000      0.9668000      0.3972000       1.401000
  1 1 1     -31  -11   12 o    8.596000      0.3713000       8.672000 0.5292000       8.520000      0.5210000      0.1517000      0.7426000
  1 1 1     -31  -11   13 o    5.477000      0.5024000       5.263000 0.7433000       5.691000      0.6761000     -0.4273000       1.005000
  1 1 1     -31  -11   14 o    5.727000      0.4997000       5.622000 0.7048000       5.833000      0.7085000     -0.2106000      0.9994000
  1 1 1     -31  -11   15 o    4.097000      0.6418000       4.230000 0.8580000       3.964000      0.9547000      0.2668000       1.284000
  1 1 1     -31  -11   16 o    6.075000      0.4804000       5.432000 0.7351000       6.717000      0.6186000      -1.285000      0.9608000
  1 1 1     -31  -11   17 o    10.89000      0.3330000       11.14000 0.4513000       10.64000      0.4897000      0.4979000      0.6659000
  1 1 1     -31  -11   18 o    5.602000      0.5078000       5.439000 0.7452000       5.765000      0.6901000     -0.3260000       1.016000
  1 1 1     -31  -11   19 o    3.202000      0.6725000       2.389000 0.9717000       4.014000      0.9300000      -1.625000       1.345000
  1 1 1     -31  -11   20 o    5.239000      0.5278000       5.628000 0.6986000       4.850000      0.7914000      0.7784000       1.056000
  1 1 1     -31  -10    1 o    4.855000      0.4874000       5.321000 0.6222000       4.389000      0.7505000      0.9316000      0.9748000
  1 1 1     -31  -10    2 o    4.404000      0.5384000       4.775000 0.6946000       4.033000      0.8227000      0.7426000       1.077000
  1 1 1     -31  -10    3 o    6.112000      0.4219000       6.152000 0.5964000       6.071000      0.5970000      0.8126000E-01  0.8439000
  1 1 1     -31  -10    4 o    2.707000      0.6670000       2.326000 0.9250000       3.088000      0.9612000     -0.7615000       1.334000
  1 1 1     -31  -10    5 o    9.466000      0.4427000       10.19000 0.6280000       8.740000      0.6243000       1.454000      0.8855000
  1 1 1     -31  -10    6 o    4.006000      0.7984000       3.664000 1.151000       4.348000       1.107000     -0.6837000       1.597000
  1 1 1     -31  -10    7 o    2.083000      0.6314000       1.830000 0.8330000       2.335000      0.9491000     -0.5053000       1.263000
  1 1 1     -31  -10    8 o    2.649000      0.7260000       3.476000 1.150000       1.822000      0.8866000       1.654000       1.452000
  1 1 1     -31  -10    9 o    3.560000       1.194000       3.560000 1.194000                  ?              ?              ?              ?
  1 1 1     -31  -10   10 f    2.225000      0.6573000       2.467000 0.9854000       1.982000      0.8703000      0.4849000       1.315000
  1 1 1     -31  -10   11 o    3.390000       1.006000                  ?       ?   3.390000       1.006000                  ?              ?
  1 1 1     -31  -10   12 f    5.345000      0.5296000       6.222000 0.6488000       4.469000      0.8373000       1.753000       1.059000
  1 1 1     -31  -10   13 o    5.732000      0.4838000       5.621000 0.7167000       5.843000      0.6501000     -0.2221000      0.9677000
  1 1 1     -31  -10   14 o    2.377000      0.6819000       2.649000 1.005000       2.104000      0.9215000      0.5448000       1.364000
  1 1 1     -31  -10   15 o    1.877000      0.6004000       1.759000 0.8149000       1.994000      0.8821000     -0.2345000       1.201000
  1 1 1     -31  -10   16 o    9.120000      0.3484000       8.999000 0.4894000       9.241000      0.4960000     -0.2424000      0.6968000
  1 1 1     -31  -10   17 o    8.744000      0.3696000       9.317000 0.4943000       8.171000      0.5496000       1.146000      0.7392000
  1 1 1     -31  -10   18 o    2.908000      0.7108000       2.897000 1.008000       2.920000       1.003000     -0.2276000E-01   1.422000
  1 1 1     -31  -10   19 o    3.031000      0.7026000       3.324000 1.007000       2.737000      0.9805000      0.5868000       1.405000
  1 1 1     -31  -10   20 o    2.597000      0.6062000       1.478000 0.7195000       3.717000      0.9759000      -2.238000       1.212000
  1 1 1     -31   -9    1 o    2.764000      0.6533000       3.011000 0.9191000       2.517000      0.9286000      0.4941000       1.307000
  1 1 1     -31   -9    2 o    3.661000      0.6167000       3.091000 0.9290000       4.230000      0.8112000      -1.139000       1.233000
  1 1 1     -31   -9    3 o    2.518000      0.6099000       1.689000 0.7778000       3.346000      0.9397000      -1.658000       1.220000
  1 1 1     -31   -9    4 o    7.566000      0.3644000       7.351000 0.5061000       7.782000      0.5245000     -0.4305000      0.7289000
  1 1 1     -31   -9    5 o    4.891000      0.7025000       4.649000 0.9705000       5.133000       1.016000     -0.4838000       1.405000
  1 1 1     -31   -9    6 f    4.124000      0.7564000       3.176000 1.117000       5.072000       1.020000      -1.895000       1.513000
  1 1 1     -31   -9    7 f    4.503000      0.5962000       5.275000 0.7205000       3.730000      0.9501000       1.545000       1.192000
  1 1 1     -31   -9    8 o    2.503000      0.7604000       2.122000 0.9701000       2.885000       1.171000     -0.7627000       1.521000
  1 1 1     -31   -9    9 o    4.123000      0.8933000       4.123000 0.8933000                  ?              ?              ?              ?
  1 1 1     -31   -9   10 o    4.006000      0.6254000       3.040000 0.9987000       4.972000      0.7531000      -1.931000       1.251000
  1 1 1     -31   -9   11 o    3.629000      0.9607000                  ?       ?   3.629000      0.9607000                  ?              ?
  1 1 1     -31   -9   12 o    5.385000      0.4779000       5.673000 0.6751000       5.098000      0.6767000      0.5746000      0.9559000
  1 1 1     -31   -9   13 o    5.230000      0.5008000       5.518000 0.6746000       4.942000      0.7404000      0.5758000       1.002000
  1 1 1     -31   -9   14 f    3.598000      0.6433000       2.690000 0.9943000       4.506000      0.8166000      -1.816000       1.287000
  1 1 1     -31   -9   15 o    2.807000      0.6933000       2.818000 0.9688000       2.797000      0.9920000      0.2096000E-01   1.387000
  1 1 1     -31   -9   16 o    4.042000      0.6242000       3.502000 0.9591000       4.582000      0.7992000      -1.080000       1.248000
  1 1 1     -31   -9   17 o    2.253000      0.6642000       2.301000 0.9471000       2.205000      0.9314000      0.9673000E-01   1.328000
  1 1 1     -31   -9   18 o    5.960000      0.4712000       5.682000 0.6950000       6.237000      0.6364000     -0.5544000      0.9424000
  1 1 1     -31   -9   19 o    5.474000      0.4934000       4.918000 0.7626000       6.030000      0.6263000      -1.111000      0.9868000
  1 1 1     -31   -9   20 o    3.753000      0.6218000       4.609000 0.7872000       2.897000      0.9627000       1.713000       1.244000
  1 1 1     -31   -8    1 f    3.882000      0.5807000       4.297000 0.7578000       3.466000      0.8801000      0.8318000       1.161000
  1 1 1     -31   -8    2 o    6.075000      0.3941000       6.129000 0.5650000       6.021000      0.5496000      0.1081000      0.7882000
  1 1 1     -31   -8    3 o    3.540000      0.6245000       3.307000 0.9095000       3.773000      0.8559000     -0.4664000       1.249000
  1 1 1     -31   -8    4 o    11.70000      0.3019000       11.49000 0.4233000       11.91000      0.4307000     -0.4245000      0.6039000
  1 1 1     -31   -8    5 o    5.197000      0.6588000       4.077000 1.069000       6.317000      0.7707000      -2.240000       1.318000
  1 1 1     -31   -8    6 o    3.370000      0.6158000       2.451000 0.9379000       4.288000      0.7983000      -1.836000       1.232000
  1 1 1     -31   -8    7 o    9.477000      0.3297000       9.621000 0.4638000       9.333000      0.4688000      0.2883000      0.6594000
  1 1 1     -31   -8    8 o    7.541000      0.5467000       7.157000 0.7437000       7.926000      0.8015000     -0.7692000       1.093000
  1 1 1     -31   -8    9 o    6.635000      0.4207000       6.874000 0.5638000       6.396000      0.6247000      0.4785000      0.8415000
  1 1 1     -31   -8   10 o    2.565000      0.6771000       2.332000 0.9345000       2.797000      0.9802000     -0.4657000       1.354000
  1 1 1     -31   -8   11 o    5.360000      0.4781000       5.022000 0.7140000       5.698000      0.6360000     -0.6755000      0.9562000
  1 1 1     -31   -8   12 o    3.598000      0.6356000       3.558000 0.9328000       3.637000      0.8638000     -0.7920000E-01   1.271000
  1 1 1     -31   -8   13 o    1.722000      0.5582000       1.635000 0.7718000       1.809000      0.8067000     -0.1737000       1.116000
  1 1 1     -31   -8   14 o    6.119000      0.4321000       5.936000 0.6385000       6.303000      0.5824000     -0.3666000      0.8643000
  1 1 1     -31   -8   15 o    3.564000      0.6754000       3.479000 0.9739000       3.649000      0.9359000     -0.1699000       1.351000
  1 1 1     -31   -8   16 o    4.705000      0.5523000       5.006000 0.7168000       4.404000      0.8403000      0.6019000       1.105000
  1 1 1     -31   -8   17 o    4.041000      0.6094000       4.511000 0.7814000       3.570000      0.9354000      0.9412000       1.219000
  1 1 1     -31   -8   18 o    3.054000      0.6655000       2.403000 0.9588000       3.705000      0.9231000      -1.302000       1.331000
  1 1 1     -31   -8   19 o    4.499000      0.5778000       4.415000 0.8588000       4.584000      0.7734000     -0.1686000       1.156000
  1 1 1     -31   -8   20 o    2.861000      0.7558000       2.360000 0.9529000       3.363000       1.173000      -1.003000       1.512000
  1 1 1     -31   -7    1 o    4.897000      0.4661000       5.069000 0.6387000       4.725000      0.6789000      0.3443000      0.9321000
  1 1 1     -31   -7    2 o    6.998000      0.3540000       7.192000 0.4942000       6.804000      0.5069000      0.3881000      0.7080000
  1 1 1     -31   -7    3 o    4.434000      0.5428000       4.646000 0.7110000       4.223000      0.8204000      0.4234000       1.086000
  1 1 1     -31   -7    4 o    13.37000      0.2989000       13.24000 0.4212000       13.50000      0.4241000     -0.2596000      0.5977000
  1 1 1     -31   -7    5 o    10.21000      0.4195000       9.797000 0.6057000       10.62000      0.5806000     -0.8271000      0.8391000
  1 1 1     -31   -7    6 o    9.112000      0.3233000       9.132000 0.4507000       9.092000      0.4637000      0.3951000E-01  0.6467000
  1 1 1     -31   -7    7 f    10.25000      0.3125000       10.13000 0.4500000       10.37000      0.4338000     -0.2418000      0.6250000
  1 1 1     -31   -7    8 o    7.036000      0.5499000       6.699000 0.7772000       7.373000      0.7780000     -0.6743000       1.100000
  1 1 1     -31   -7    9 o    5.583000      0.4601000       5.061000 0.6993000       6.105000      0.5982000      -1.043000      0.9203000
  1 1 1     -31   -7   10 o    2.935000      0.5861000       4.090000 0.8426000       1.779000      0.8149000       2.310000       1.172000
  1 1 1     -31   -7   11 o    4.000000      0.6037000       4.006000 0.8410000       3.994000      0.8663000      0.1200000E-01   1.207000
  1 1 1     -31   -7   12 o    2.953000      0.6712000       2.619000 0.9548000       3.287000      0.9437000     -0.6685000       1.342000
  1 1 1     -31   -7   13 o    2.523000      0.6719000       2.709000 0.9731000       2.337000      0.9268000      0.3718000       1.344000
  1 1 1     -31   -7   14 o    4.885000      0.5237000       5.293000 0.6878000       4.477000      0.7899000      0.8161000       1.047000
  1 1 1     -31   -7   15 o    2.603000      0.6782000       2.644000 0.9583000       2.563000      0.9600000      0.8158000E-01   1.356000
  1 1 1     -31   -7   16 o    7.510000      0.3867000       7.104000 0.5686000       7.915000      0.5241000     -0.8111000      0.7733000
  1 1 1     -31   -7   17 o    6.622000      0.4212000       6.921000 0.5729000       6.323000      0.6175000      0.5980000      0.8424000
  1 1 1     -31   -7   18 o    1.718000      0.5651000       1.742000 0.8060000       1.695000      0.7922000      0.4743000E-01   1.130000
  1 1 1     -31   -7   19 o    3.319000      0.6811000       3.069000 0.9644000       3.569000      0.9620000     -0.4991000       1.362000
  1 1 1     -31   -6    1 o    3.776000      0.5800000       3.950000 0.8069000       3.603000      0.8334000      0.3463000       1.160000
  1 1 1     -31   -6    2 o    1.919000      0.5827000       2.044000 0.8484000       1.794000      0.7990000      0.2498000       1.165000
  1 1 1     -31   -6    3 f    7.471000      0.3463000       7.171000 0.5062000       7.772000      0.4728000     -0.6008000      0.6926000
  1 1 1     -31   -6    4 o    8.687000      0.4119000       8.747000 0.6045000       8.627000      0.5596000      0.1207000      0.8238000
  1 1 1     -31   -6    5 o    6.967000      0.4746000       7.127000 0.6804000       6.806000      0.6620000      0.3212000      0.9493000
  1 1 1     -31   -6    6 o    6.277000      0.3943000       6.307000 0.5584000       6.248000      0.5569000      0.5880000E-01  0.7887000
  1 1 1     -31   -6    7 o    7.187000      0.5399000       6.994000 0.7547000       7.381000      0.7722000     -0.3863000       1.080000
  1 1 1     -31   -6    8 o    2.476000      0.7418000       2.140000 0.9789000       2.812000       1.115000     -0.6720000       1.484000
  1 1 1     -31   -6    9 o    2.216000      0.6284000       1.875000 0.8351000       2.557000      0.9392000     -0.6825000       1.257000
  1 1 1     -31   -6   10 o    5.773000      0.4908000       6.728000 0.8188000       4.818000      0.5416000       1.910000      0.9817000
  1 1 1     -31   -6   11 o    5.642000      0.4418000       5.485000 0.6420000       5.800000      0.6072000     -0.3149000      0.8837000
  1 1 1     -31   -6   12 o    5.435000      0.5399000       6.295000 0.7680000       4.574000      0.7589000       1.722000       1.080000
  1 1 1     -31   -6   13 o    5.858000      0.4315000       5.480000 0.6507000       6.236000      0.5671000     -0.7560000      0.8631000
  1 1 1     -31   -6   14 o    4.277000      0.5744000       4.831000 0.7090000       3.723000      0.9038000       1.108000       1.149000
  1 1 1     -31   -6   15 o    2.116000      0.6330000       2.126000 0.8938000       2.106000      0.8966000      0.1991000E-01   1.266000
  1 1 1     -31   -6   16 o    6.898000      0.3893000       7.621000 0.4885000       6.175000      0.6063000       1.447000      0.7786000
  1 1 1     -31   -6   17 o    6.209000      0.4182000       6.231000 0.5843000       6.187000      0.5985000      0.4446000E-01  0.8364000
  1 1 1     -31   -6   18 o    2.824000      0.6534000       3.377000 0.9274000       2.271000      0.9208000       1.106000       1.307000
  1 1 1     -31   -6   19 o    3.475000      0.6656000       3.035000 0.9864000       3.914000      0.8940000     -0.8788000       1.331000
  1 1 1     -31   -5    1 o    8.918000      0.2961000       8.619000 0.4275000       9.217000      0.4097000     -0.5979000      0.5921000
  1 1 1     -31   -5    2 o    7.200000      0.3329000       7.058000 0.4849000       7.343000      0.4562000     -0.2857000      0.6658000
  1 1 1     -31   -5    3 o    4.148000      0.5394000       4.254000 0.7652000       4.042000      0.7603000      0.2128000       1.079000
  1 1 1     -31   -5    4 o    3.671000      0.6980000       2.826000 1.055000       4.515000      0.9145000      -1.690000       1.396000
  1 1 1     -31   -5    5 o    2.687000      0.6478000       2.498000 0.9080000       2.876000      0.9243000     -0.3781000       1.296000
  1 1 1     -31   -5    6 o    2.177000      0.6026000       2.790000 0.9563000       1.565000      0.7335000       1.224000       1.205000
  1 1 1     -31   -5    7 o    2.923000      0.7709000       2.776000 1.036000       3.069000       1.142000     -0.2934000       1.542000
  1 1 1     -31   -5    8 o    6.305000      0.3883000       6.232000 0.5450000       6.377000      0.5533000     -0.1454000      0.7766000
  1 1 1     -31   -5    9 o    5.301000      0.4556000       5.886000 0.5529000       4.717000      0.7242000       1.169000      0.9112000
  1 1 1     -31   -5   10 f    5.180000      0.6848000       5.180000 0.6848000                  ?              ?              ?              ?
  1 1 1     -31   -5   11 o    5.423000      0.4620000       5.024000 0.7132000       5.822000      0.5874000     -0.7982000      0.9239000
  1 1 1     -31   -5   12 f    4.063000      0.8502000                  ?       ?   4.063000      0.8502000                  ?              ?
  1 1 1     -31   -5   13 o    4.604000      0.5579000       3.921000 0.8902000       5.287000      0.6727000      -1.366000       1.116000
  1 1 1     -31   -5   14 o    2.079000      0.6228000       2.309000 0.9226000       1.849000      0.8370000      0.4606000       1.246000
  1 1 1     -31   -5   15 o    5.835000      0.4513000       6.032000 0.6194000       5.637000      0.6564000      0.3949000      0.9025000
  1 1 1     -31   -5   16 o    3.630000      0.6499000       3.542000 0.9294000       3.717000      0.9088000     -0.1749000       1.300000
  1 1 1     -31   -5   17 o    2.027000      0.6182000       2.104000 0.8855000       1.950000      0.8629000      0.1543000       1.236000
  1 1 1     -31   -5   18 f    3.651000      0.5678000       5.094000 0.6973000       2.207000      0.8964000       2.886000       1.136000
  1 1 1     -31   -4    1 o    4.898000      0.4517000       4.912000 0.6468000       4.884000      0.6307000      0.2820000E-01  0.9034000
  1 1 1     -31   -4    2 o    2.396000      0.5888000       1.808000 0.8054000       2.984000      0.8593000      -1.176000       1.178000
  1 1 1     -31   -4    3 o    11.20000      0.3450000       11.68000 0.5656000       10.72000      0.3953000      0.9615000      0.6900000
  1 1 1     -31   -4    4 o    6.059000      0.5099000       5.912000 0.7923000       6.205000      0.6422000     -0.2933000       1.020000
  1 1 1     -31   -4    5 o    3.502000      0.6159000       2.971000 0.9554000       4.033000      0.7775000      -1.062000       1.232000
  1 1 1     -31   -4    6 o    5.969000      0.6452000       6.519000 0.8353000       5.420000      0.9836000       1.099000       1.290000
  1 1 1     -31   -4    7 f    7.507000      0.5375000       7.207000 0.7899000       7.806000      0.7290000     -0.5990000       1.075000
  1 1 1     -31   -4    8 o    6.545000      0.3903000       6.176000 0.5862000       6.914000      0.5157000     -0.7384000      0.7807000
  1 1 1     -31   -4    9 f    10.07000      0.3036000       9.609000 0.4454000       10.53000      0.4126000     -0.9194000      0.6071000
  1 1 1     -31   -4   10 o    4.717000      0.5188000       4.730000 0.7679000       4.704000      0.6979000      0.2613000E-01   1.038000
  1 1 1     -31   -4   11 o    6.529000      0.4004000       6.168000 0.5924000       6.891000      0.5388000     -0.7234000      0.8008000
  1 1 1     -31   -4   12 o    5.922000      0.4227000       6.048000 0.5773000       5.797000      0.6176000      0.2510000      0.8454000
  1 1 1     -31   -4   13 o    2.096000      0.6223000       1.922000 0.8456000       2.269000      0.9132000     -0.3477000       1.245000
  1 1 1     -31   -4   14 o    1.784000      0.5736000       2.007000 0.8724000       1.562000      0.7449000      0.4446000       1.147000
  1 1 1     -31   -4   15 o    7.596000      0.3583000       7.397000 0.5285000       7.795000      0.4840000     -0.3979000      0.7166000
  1 1 1     -31   -4   16 o    5.663000      0.4487000       5.038000 0.6987000       6.289000      0.5630000      -1.251000      0.8973000
  1 1 1     -31   -4   17 o    3.465000      0.6003000       3.224000 0.8990000       3.706000      0.7958000     -0.4828000       1.201000
  1 1 1     -31   -4   18 o    2.632000      0.6346000       2.404000 0.9170000       2.860000      0.8775000     -0.4557000       1.269000
  1 1 1     -31   -3    1 f    3.872000      0.5577000       3.880000 0.7810000       3.863000      0.7964000      0.1606000E-01   1.115000
  1 1 1     -31   -3    2 o    4.080000      0.5467000       4.326000 0.7448000       3.834000      0.8005000      0.4925000       1.093000
  1 1 1     -31   -3    3 o    7.449000      0.4468000       7.666000 0.6815000       7.232000      0.5779000      0.4343000      0.8936000
  1 1 1     -31   -3    4 o    6.186000      0.3781000       6.214000 0.5446000       6.157000      0.5247000      0.5653000E-01  0.7562000
  1 1 1     -31   -3    5 o    9.681000      0.3019000       9.547000 0.4372000       9.815000      0.4165000     -0.2680000      0.6038000
  1 1 1     -31   -3    6 o    2.123000      0.6736000       2.531000 1.063000       1.716000      0.8271000      0.8148000       1.347000
  1 1 1     -31   -3    7 o    8.134000      0.3366000       7.960000 0.5026000       8.308000      0.4478000     -0.3480000      0.6732000
  1 1 1     -31   -3    8 o    5.450000      0.4662000       6.215000 0.5831000       4.684000      0.7276000       1.531000      0.9324000
  1 1 1     -31   -3    9 o    10.26000      0.2992000       10.51000 0.4242000       10.01000      0.4221000      0.4988000      0.5984000
  1 1 1     -31   -3   10 o    4.424000      0.5427000       4.525000 0.7641000       4.322000      0.7708000      0.2036000       1.085000
  1 1 1     -31   -3   11 o    1.931000      0.5911000       2.101000 0.8729000       1.761000      0.7975000      0.3400000       1.182000
  1 1 1     -31   -3   12 o    7.589000      0.3602000       7.586000 0.5139000       7.592000      0.5048000     -0.5762000E-02  0.7204000
  1 1 1     -31   -3   13 o    2.217000      0.6217000       2.205000 0.8867000       2.228000      0.8717000     -0.2306000E-01   1.243000
  1 1 1     -31   -3   14 o    2.533000      0.6540000       2.510000 0.9488000       2.555000      0.9003000     -0.4563000E-01   1.308000
  1 1 1     -31   -3   15 o    4.859000      0.5003000       4.598000 0.7445000       5.119000      0.6685000     -0.5210000       1.001000
  1 1 1     -31   -3   16 o    1.986000      0.6096000       1.898000 0.8418000       2.074000      0.8821000     -0.1757000       1.219000
  1 1 1     -31   -3   17 o    3.014000      0.6644000       3.454000 0.9333000       2.574000      0.9459000      0.8802000       1.329000
  1 1 1     -31   -2    1 o    6.486000      0.3527000       6.155000 0.5210000       6.816000      0.4756000     -0.6604000      0.7054000
  1 1 1     -31   -2    2 o    4.418000      0.6204000       4.154000 1.001000       4.682000      0.7338000     -0.5281000       1.241000
  1 1 1     -31   -2    3 o    3.496000      0.6492000       2.649000 1.037000       4.343000      0.7808000      -1.694000       1.298000
  1 1 1     -31   -2    4 o    2.312000      0.6026000       1.858000 0.8072000       2.767000      0.8951000     -0.9094000       1.205000
  1 1 1     -31   -2    5 o    2.411000      0.7245000       2.376000 1.003000       2.446000       1.046000     -0.7009000E-01   1.449000
  1 1 1     -31   -2    6 o    3.971000      0.5483000       3.128000 0.8721000       4.815000      0.6647000      -1.687000       1.097000
  1 1 1     -31   -2    7 o    8.299000      0.3876000       9.139000 0.4560000       7.460000      0.6267000       1.679000      0.7751000
  1 1 1     -31   -2    8 o    4.746000      0.5023000       4.917000 0.6997000       4.575000      0.7207000      0.3417000       1.005000
  1 1 1     -31   -2    9 o    3.077000      0.5535000       2.068000 0.8553000       4.086000      0.7027000      -2.017000       1.107000
  1 1 1     -31   -2   10 o    4.242000      0.5547000       4.909000 0.6741000       3.575000      0.8811000       1.333000       1.109000
  1 1 1     -31   -2   11 o    5.166000      0.4624000       5.554000 0.6539000       4.778000      0.6539000      0.7766000      0.9248000
  1 1 1     -31   -2   12 o    5.494000      0.4105000       5.158000 0.5956000       5.830000      0.5650000     -0.6719000      0.8209000
  1 1 1     -31   -2   13 o    2.377000      0.6287000       1.941000 0.8282000       2.812000      0.9460000     -0.8712000       1.257000
  1 1 1     -31   -2   14 f    3.577000      0.7199000       3.866000 1.094000       3.288000      0.9363000      0.5783000       1.440000
  1 1 1     -31   -2   15 o    3.003000      0.6386000       2.340000 0.8964000       3.667000      0.9099000      -1.327000       1.277000
  1 1 1     -31   -2   16 o    2.129000      0.6123000       2.485000 0.9392000       1.773000      0.7858000      0.7120000       1.225000
  1 1 1     -31   -1    1 o    2.559000      0.6004000       2.521000 0.8540000       2.596000      0.8441000     -0.7520000E-01   1.201000
  1 1 1     -31   -1    2 o    4.542000      0.6025000       4.306000 0.9698000       4.777000      0.7151000     -0.4717000       1.205000
  1 1 1     -31   -1    3 o    3.392000      0.5929000       3.659000 0.8027000       3.125000      0.8727000      0.5337000       1.186000
  1 1 1     -31   -1    4 o    4.100000      0.6559000       3.395000 0.7586000       4.805000       1.070000      -1.409000       1.312000
  1 1 1     -31   -1    5 o    8.559000      0.4654000       8.384000 0.6284000       8.734000      0.6867000     -0.3507000      0.9309000
  1 1 1     -31   -1    6 o    5.928000      0.3979000       5.853000 0.5631000       6.004000      0.5622000     -0.1510000      0.7957000
  1 1 1     -31   -1    7 o    5.637000      0.3956000       5.472000 0.5669000       5.802000      0.5521000     -0.3293000      0.7913000
  1 1 1     -31   -1    8 o    8.069000      0.3204000       8.097000 0.4637000       8.042000      0.4424000      0.5450000E-01  0.6409000
  1 1 1     -31   -1    9 o    9.406000      0.2987000       8.782000 0.4359000       10.03000      0.4085000      -1.248000      0.5974000
  1 1 1     -31   -1   10 o    4.286000      0.5178000       3.608000 0.8040000       4.963000      0.6529000      -1.354000       1.036000
  1 1 1     -31   -1   11 o    8.785000      0.4397000       8.785000 0.4397000                  ?              ?              ?              ?
  1 1 1     -31   -1   12 o    4.664000      0.5090000       4.436000 0.7444000       4.893000      0.6944000     -0.4564000       1.018000
  1 1 1     -31   -1   13 o    3.144000      0.9014000                  ?       ?   3.144000      0.9014000                  ?              ?
  1 1 1     -31   -1   14 o    2.366000      0.5988000       3.100000 0.9355000       1.632000      0.7479000       1.468000       1.198000
  1 1 1     -31   -1   15 o    2.852000      0.6370000       3.422000 0.8977000       2.281000      0.9040000       1.141000       1.274000
  1 1 1     -31    0    1 o    4.096000      0.7342000       4.449000 0.8890000       3.743000       1.169000      0.7055000       1.468000
  1 1 1     -31    0    2 o    4.001000      0.5400000       3.147000 0.8431000       4.856000      0.6750000      -1.708000       1.080000
  1 1 1     -31    0    3 o    2.156000      0.6452000       2.124000 0.8457000       2.189000      0.9745000     -0.6534000E-01   1.290000
  1 1 1     -31    0    4 o    5.609000      0.5789000       5.538000 0.7467000       5.681000      0.8848000     -0.1431000       1.158000
  1 1 1     -31    0    5 o    9.643000      0.2860000       9.410000 0.4128000       9.877000      0.3958000     -0.4672000      0.5719000
  1 1 1     -31    0    6 o    3.867000      0.5602000       3.306000 0.8521000       4.427000      0.7275000      -1.121000       1.120000
  1 1 1     -31    0    7 o    5.331000      0.4149000       5.087000 0.5656000       5.575000      0.6072000     -0.4873000      0.8299000
  1 1 1     -31    0    8 o    5.491000      0.3991000       5.669000 0.5718000       5.313000      0.5569000      0.3562000      0.7982000
  1 1 1     -31    0    9 o    7.255000      0.3362000       7.319000 0.4786000       7.191000      0.4723000      0.1283000      0.6724000
  1 1 1     -31    0   10 o    9.767000      0.3018000       10.08000 0.4155000       9.450000      0.4379000      0.6327000      0.6036000
  1 1 1     -31    0   11 o    8.545000      0.3076000       8.919000 0.4541000       8.172000      0.4151000      0.7469000      0.6152000
  1 1 1     -31    0   12 f    5.707000      0.4326000       5.245000 0.6688000       6.170000      0.5488000     -0.9246000      0.8652000
  1 1 1     -31    0   13 o    6.000000      0.4727000       6.112000 0.7884000       5.888000      0.5216000      0.2245000      0.9453000
  1 1 1     -31    0   14 o    2.893000      0.6562000       2.763000 0.9559000       3.022000      0.8991000     -0.2588000       1.312000
  1 1 1     -31    1    1 o    4.430000      0.4978000       4.580000 0.5977000       4.281000      0.7963000      0.2989000      0.9957000
  1 1 1     -31    1    2 o    3.502000      0.5950000       3.641000 0.7318000       3.363000      0.9383000      0.2778000       1.190000
  1 1 1     -31    1    3 o    2.816000      0.7364000       3.079000 1.042000       2.553000       1.041000      0.5262000       1.473000
  1 1 1     -31    1    4 o    2.650000      0.6357000       2.643000 0.8678000       2.658000      0.9293000     -0.1520000E-01   1.271000
  1 1 1     -31    1    5 o    1.968000      0.5921000       1.913000 0.8130000       2.023000      0.8611000     -0.1104000       1.184000
  1 1 1     -31    1    6 o    6.971000      0.3507000       7.109000 0.4756000       6.834000      0.5155000      0.2757000      0.7013000
  1 1 1     -31    1    7 o    2.579000      0.6269000       2.688000 0.8452000       2.470000      0.9260000      0.2178000       1.254000
  1 1 1     -31    1    8 o    4.674000      0.4864000       5.313000 0.5532000       4.034000      0.8001000       1.280000      0.9727000
  1 1 1     -31    1    9 o    10.35000      0.3635000       10.35000 0.4171000       10.34000      0.5956000      0.1821000E-01  0.7271000
  1 1 1     -31    1   10 o    10.98000      0.3765000       10.66000 0.4091000       11.29000      0.6322000     -0.6273000      0.7530000
  1 1 1     -31    1   11 o    1.926000      0.5533000       1.476000 0.7036000       2.376000      0.8540000     -0.8999000       1.107000
  1 1 1     -31    1   12 o    6.569000      0.3649000       6.601000 0.5232000       6.538000      0.5089000      0.6229000E-01  0.7299000
  1 1 1     -31    1   13 o    5.525000      0.5202000       5.153000 0.6719000       5.897000      0.7943000     -0.7436000       1.040000
  1 1 1     -31    2    1 o    2.400000      0.6022000       2.879000 0.8674000       1.922000      0.8355000      0.9565000       1.204000
  1 1 1     -31    2    2 o    2.833000      0.7036000       2.169000 0.9163000       3.498000       1.068000      -1.330000       1.407000
  1 1 1     -31    2    3 o    4.056000      0.5420000       4.253000 0.6691000       3.860000      0.8527000      0.3928000       1.084000
  1 1 1     -31    2    4 o    6.327000      0.3727000       7.010000 0.4511000       5.644000      0.5933000       1.367000      0.7453000
  1 1 1     -31    2    5 o    2.996000      0.5881000       3.643000 0.7678000       2.349000      0.8911000       1.294000       1.176000
  1 1 1     -31    2    6 o    5.809000      0.3979000       5.807000 0.5274000       5.812000      0.5960000     -0.5485000E-02  0.7958000
  1 1 1     -31    2    7 o    3.320000      0.6183000       3.428000 0.7994000       3.211000      0.9434000      0.2170000       1.237000
  1 1 1     -31    2    8 o    2.586000      0.5910000       3.302000 0.8437000       1.871000      0.8278000       1.430000       1.182000
  1 1 1     -31    2    9 o    5.295000      0.4237000       4.880000 0.6456000       5.710000      0.5489000     -0.8301000      0.8474000
  1 1 1     -31    2   10 o    4.676000      0.5190000       5.418000 0.6032000       3.934000      0.8448000       1.484000       1.038000
  1 1 1     -31    2   11 o    3.250000      0.5963000       3.670000 0.7832000       2.830000      0.8995000      0.8401000       1.193000
  1 1 1     -31    3    1 o    3.154000      0.7317000       3.296000 1.043000       3.012000       1.027000      0.2843000       1.463000
  1 1 1     -31    3    2 o    1.567000      0.5107000       1.205000 0.5959000       1.928000      0.8296000     -0.7224000       1.021000
  1 1 1     -31    3    3 o    3.124000      0.5868000       2.391000 0.8710000       3.858000      0.7865000      -1.467000       1.174000
  1 1 1     -31    3    4 o    3.673000      0.5823000       3.902000 0.7696000       3.443000      0.8741000      0.4587000       1.165000
  1 1 1     -31    3    5 o    1.774000      0.5491000       1.903000 0.7930000       1.646000      0.7597000      0.2574000       1.098000
  1 1 1     -31    3    6 o    5.945000      0.3977000       6.248000 0.5342000       5.643000      0.5892000      0.6050000      0.7953000
  1 1 1     -31    3    7 f    1.804000      0.5557000       1.484000 0.6963000       2.123000      0.8664000     -0.6392000       1.111000
  1 1 1     -31    3    8 o    2.362000      0.6328000       2.198000 0.8707000       2.526000      0.9184000     -0.3276000       1.266000
  1 1 1     -31    3    9 o    3.868000      0.5485000       4.606000 0.6517000       3.130000      0.8824000       1.476000       1.097000
  1 1 1     -31    4    1 o    1.529000      0.5030000       1.493000 0.6960000       1.566000      0.7264000     -0.7294000E-01   1.006000
  1 1 1     -31    4    2 o    2.295000      0.6206000       2.247000 0.8620000       2.344000      0.8931000     -0.9786000E-01   1.241000
  1 1 1     -31    4    3 o    2.619000      0.6181000       2.905000 0.8515000       2.333000      0.8961000      0.5717000       1.236000
  1 1 1     -31    4    4 o    2.136000      0.6073000       2.329000 0.8813000       1.943000      0.8356000      0.3855000       1.215000
  1 1 1     -31    4    5 o    2.762000      0.6356000       2.836000 0.8871000       2.689000      0.9103000      0.1476000       1.271000
  1 1 1     -31    4    6 o    4.896000      0.4712000       5.366000 0.5920000       4.426000      0.7333000      0.9398000      0.9424000
  1 1 1     -31    4    7 o    2.266000      0.9973000                  ?       ?   2.266000      0.9973000                  ?              ?
  1 1 1     -31    5    1 o    2.408000       1.024000                  ?       ?   2.408000       1.024000                  ?              ?
  1 1 1     -31    5    2 o    2.929000       1.097000                  ?       ?   2.929000       1.097000                  ?              ?
  1 1 1     -30  -32    1 o    2.168000      0.6480000       2.470000 0.9681000       1.866000      0.8616000      0.6039000       1.296000
  1 1 1     -30  -32    2 o    2.956000      0.6864000       3.712000 0.9772000       2.200000      0.9642000       1.512000       1.373000
  1 1 1     -30  -32    3 o    2.933000      0.6324000       1.994000 0.8742000       3.872000      0.9141000      -1.878000       1.265000
  1 1 1     -30  -32    4 o    1.911000      0.6159000       1.633000 0.7762000       2.189000      0.9564000     -0.5563000       1.232000
  1 1 1     -30  -32    5 o    2.896000      0.7142000       3.955000 1.137000       1.837000      0.8644000       2.118000       1.428000
  1 1 1     -30  -32    6 o    3.331000      0.7197000       3.155000 1.019000       3.507000       1.016000     -0.3524000       1.439000
  1 1 1     -30  -31    1 o    3.406000      0.7109000       3.010000 1.022000       3.803000      0.9886000     -0.7934000       1.422000
  1 1 1     -30  -31    2 f    1.937000      0.6116000       2.192000 0.9276000       1.682000      0.7974000      0.5107000       1.223000
  1 1 1     -30  -31    3 o    2.823000      0.6635000       3.636000 0.9570000       2.011000      0.9194000       1.625000       1.327000
  1 1 1     -30  -31    4 o    3.629000      0.6421000       4.692000 0.7808000       2.566000       1.020000       2.125000       1.284000
  1 1 1     -30  -31    5 o    3.413000      0.7278000       3.787000 0.9896000       3.039000       1.067000      0.7478000       1.456000
  1 1 1     -30  -31    6 o    4.354000      0.6529000       4.315000 0.8922000       4.393000      0.9535000     -0.7856000E-01   1.306000
  1 1 1     -30  -31    7 o    2.802000      0.6964000       2.096000 0.9306000       3.508000       1.036000      -1.412000       1.393000
  1 1 1     -30  -31    8 o    2.914000      0.7290000       2.893000 1.015000       2.935000       1.046000     -0.4178000E-01   1.458000
  1 1 1     -30  -31    9 o    2.248000      0.6818000       1.957000 0.8817000       2.538000       1.040000     -0.5809000       1.364000
  1 1 1     -30  -30    1 o    2.269000      0.6526000       2.453000 0.9422000       2.085000      0.9034000      0.3678000       1.305000
  1 1 1     -30  -30    2 o    3.021000      0.7268000       2.888000 1.012000       3.154000       1.044000     -0.2652000       1.454000
  1 1 1     -30  -30    3 o    2.727000      0.6934000       2.006000 0.8764000       3.448000       1.075000      -1.442000       1.387000
  1 1 1     -30  -30    4 o    5.227000      0.5966000       6.555000 0.5990000       3.898000       1.032000       2.656000       1.193000
  1 1 1     -30  -30    5 o    2.893000      0.6973000       3.484000 0.9881000       2.302000      0.9841000       1.182000       1.395000
  1 1 1     -30  -30    6 o    2.168000      0.6646000       2.331000 0.9620000       2.006000      0.9172000      0.3252000       1.329000
  1 1 1     -30  -30    7 o    5.030000      0.6219000       5.632000 0.7627000       4.429000      0.9826000       1.203000       1.244000
  1 1 1     -30  -30    8 o    3.712000      0.6895000       3.956000 0.9286000       3.468000       1.019000      0.4881000       1.379000
  1 1 1     -30  -30    9 o    2.292000      0.6937000       2.189000 0.9433000       2.394000       1.017000     -0.2055000       1.387000
  1 1 1     -30  -30   10 o    2.606000      0.7161000       2.348000 0.9502000       2.864000       1.072000     -0.5158000       1.432000
  1 1 1     -30  -30   11 o    2.660000      0.7194000       2.381000 0.9654000       2.939000       1.067000     -0.5574000       1.439000
  1 1 1     -30  -29    1 f    2.055000      0.6238000       2.272000 0.9091000       1.839000      0.8544000      0.4325000       1.248000
  1 1 1     -30  -29    2 o    2.326000      0.6258000       3.148000 1.010000       1.505000      0.7385000       1.643000       1.252000
  1 1 1     -30  -29    3 o    2.426000      0.7012000       2.398000 0.9625000       2.453000       1.020000     -0.5502000E-01   1.402000
  1 1 1     -30  -29    4 o    3.741000      0.8941000       3.741000 0.8941000                  ?              ?              ?              ?
  1 1 1     -30  -29    5 o    2.603000      0.7076000       2.805000 0.9979000       2.401000       1.004000      0.4040000       1.415000
  1 1 1     -30  -29    6 o    3.853000       1.031000                  ?       ?   3.853000       1.031000                  ?              ?
  1 1 1     -30  -29    7 o    5.401000      0.5506000       5.479000 0.7571000       5.323000      0.7996000      0.1558000       1.101000
  1 1 1     -30  -29    8 o    1.720000      0.5697000       1.930000 0.8629000       1.510000      0.7440000      0.4209000       1.139000
  1 1 1     -30  -29    9 o    2.884000      0.7285000       3.137000 1.038000       2.632000       1.023000      0.5045000       1.457000
  1 1 1     -30  -29   10 o    2.294000      0.6880000       2.300000 0.9677000       2.288000      0.9781000      0.1163000E-01   1.376000
  1 1 1     -30  -29   11 o    3.353000      0.7354000       3.025000 0.9980000       3.681000       1.080000     -0.6556000       1.471000
  1 1 1     -30  -29   12 o    2.819000      0.7079000       3.361000 1.010000       2.277000      0.9916000       1.084000       1.416000
  1 1 1     -30  -29   13 o    2.846000      0.7156000       3.288000 1.000000       2.405000       1.024000      0.8826000       1.431000
  1 1 1     -30  -28    1 o    2.816000      0.7130000       2.524000 0.9690000       3.108000       1.046000     -0.5838000       1.426000
  1 1 1     -30  -28    2 o    2.650000      0.7082000       2.512000 0.9386000       2.787000       1.061000     -0.2742000       1.416000
  1 1 1     -30  -28    3 o    3.737000      0.6634000       4.531000 0.8042000       2.943000       1.055000       1.588000       1.327000
  1 1 1     -30  -28    4 o    2.537000      0.9743000       2.537000 0.9743000                  ?              ?              ?              ?
  1 1 1     -30  -28    5 o    3.626000      0.6970000       3.964000 0.8627000       3.288000       1.095000      0.6762000       1.394000
  1 1 1     -30  -28    6 o    2.351000      0.9950000                  ?       ?   2.351000      0.9950000                  ?              ?
  1 1 1     -30  -28    7 o    3.224000      0.7341000       2.809000 0.9774000       3.639000       1.096000     -0.8297000       1.468000
  1 1 1     -30  -28    8 o    3.290000      0.7501000       3.154000 1.011000       3.427000       1.109000     -0.2725000       1.500000
  1 1 1     -30  -28    9 o    2.244000      0.6628000       1.947000 0.8701000       2.541000       1.000000     -0.5946000       1.326000
  1 1 1     -30  -28   10 o    3.585000      0.7456000       3.761000 0.9951000       3.409000       1.111000      0.3521000       1.491000
  1 1 1     -30  -28   11 o    2.690000      0.7190000       2.997000 1.019000       2.382000       1.015000      0.6149000       1.438000
  1 1 1     -30  -28   12 o    2.941000      0.7385000       2.792000 1.011000       3.089000       1.076000     -0.2975000       1.477000
  1 1 1     -30  -28   13 o    4.121000      0.6682000       5.376000 0.7872000       2.866000       1.080000       2.510000       1.336000
  1 1 1     -30  -28   14 o    4.188000      0.6956000       4.417000 0.8927000       3.959000       1.067000      0.4583000       1.391000
  1 1 1     -30  -27    1 o    1.817000      0.5896000       1.893000 0.8494000       1.741000      0.8179000      0.1512000       1.179000
  1 1 1     -30  -27    2 o    3.055000      0.6916000       2.165000 0.9316000       3.945000       1.022000      -1.780000       1.383000
  1 1 1     -30  -27    3 o    2.302000      0.6741000       1.742000 0.8118000       2.862000       1.076000      -1.120000       1.348000
  1 1 1     -30  -27    4 o    3.171000      0.6792000       3.320000 0.9199000       3.023000      0.9994000      0.2967000       1.358000
  1 1 1     -30  -27    5 o    3.585000      0.7140000       4.093000 0.9098000       3.076000       1.101000       1.018000       1.428000
  1 1 1     -30  -27    6 o    3.188000      0.6848000       3.167000 0.8389000       3.209000       1.083000     -0.4277000E-01   1.370000
  1 1 1     -30  -27    7 o    5.697000      0.5337000       5.774000 0.7200000       5.620000      0.7879000      0.1543000       1.067000
  1 1 1     -30  -27    8 o    6.634000      0.4495000       6.087000 0.6649000       7.182000      0.6052000      -1.095000      0.8991000
  1 1 1     -30  -27    9 o    2.373000      0.6759000       2.599000 0.9632000       2.147000      0.9486000      0.4513000       1.352000
  1 1 1     -30  -27   10 o    3.359000      0.7391000       3.571000 1.011000       3.146000       1.079000      0.4251000       1.478000
  1 1 1     -30  -27   11 o    3.936000      0.6889000       4.661000 0.8437000       3.211000       1.089000       1.450000       1.378000
  1 1 1     -30  -27   12 o    5.248000      0.5575000       5.545000 0.7030000       4.951000      0.8655000      0.5945000       1.115000
  1 1 1     -30  -27   13 f    1.782000      0.5909000       1.771000 0.8345000       1.793000      0.8368000     -0.2244000E-01   1.182000
  1 1 1     -30  -27   14 o    3.906000      0.6865000       3.285000 1.017000       4.527000      0.9225000      -1.241000       1.373000
  1 1 1     -30  -27   15 o    2.355000      0.6810000       2.411000 0.9629000       2.299000      0.9633000      0.1114000       1.362000
  1 1 1     -30  -26    1 o    3.477000      0.8531000       3.277000 1.090000       3.678000       1.313000     -0.4005000       1.706000
  1 1 1     -30  -26    2 o    3.093000      0.8027000       3.226000 1.022000       2.960000       1.238000      0.2655000       1.605000
  1 1 1     -30  -26    3 o    3.031000      0.6643000       3.699000 0.9114000       2.362000      0.9668000       1.337000       1.329000
  1 1 1     -30  -26    4 o    2.542000      0.6894000       2.935000 0.9997000       2.149000      0.9495000      0.7859000       1.379000
  1 1 1     -30  -26    5 o    2.771000      0.7273000       2.761000 0.9735000       2.782000       1.081000     -0.2057000E-01   1.455000
  1 1 1     -30  -26    6 o    2.736000      0.7073000       2.261000 0.9351000       3.211000       1.061000     -0.9501000       1.415000
  1 1 1     -30  -26    7 o    8.143000      0.3878000       8.410000 0.5268000       7.876000      0.5691000      0.5338000      0.7755000
  1 1 1     -30  -26    8 o    5.963000      0.5295000       6.545000 0.6090000       5.382000      0.8663000       1.162000       1.059000
  1 1 1     -30  -26    9 o    2.866000      0.7064000       3.290000 0.9908000       2.442000       1.007000      0.8483000       1.413000
  1 1 1     -30  -26   10 o    2.139000      0.6392000       1.717000 0.8080000       2.562000      0.9906000     -0.8447000       1.278000
  1 1 1     -30  -26   11 o    4.786000      0.6029000       3.674000 0.9590000       5.898000      0.7310000      -2.224000       1.206000
  1 1 1     -30  -26   12 o    3.786000      0.6856000       4.479000 0.8374000       3.093000       1.086000       1.387000       1.371000
  1 1 1     -30  -26   13 o    4.831000      0.6146000       5.340000 0.7642000       4.322000      0.9627000       1.019000       1.229000
  1 1 1     -30  -26   14 o    3.530000      0.7587000       3.448000 1.036000       3.613000       1.109000     -0.1647000       1.517000
  1 1 1     -30  -26   15 o    4.200000      0.6770000       3.422000 0.9923000       4.979000      0.9212000      -1.557000       1.354000
  1 1 1     -30  -26   16 o    2.957000      0.7090000       2.471000 0.9532000       3.443000       1.050000     -0.9712000       1.418000
  1 1 1     -30  -26   17 o    2.636000       1.039000       2.636000 1.039000                  ?              ?              ?              ?
  1 1 1     -30  -25    1 o    3.965000      0.6383000       4.834000 0.7031000       3.095000       1.065000       1.739000       1.277000
  1 1 1     -30  -25    2 o    2.612000      0.7429000       2.057000 0.9203000       3.168000       1.167000      -1.111000       1.486000
  1 1 1     -30  -25    3 o    2.941000      0.8056000       2.484000 1.011000       3.398000       1.254000     -0.9142000       1.611000
  1 1 1     -30  -25    4 o    4.543000      0.6153000       4.618000 0.7640000       4.468000      0.9648000      0.1505000       1.231000
  1 1 1     -30  -25    5 o    2.615000      0.7090000       2.467000 0.9557000       2.764000       1.048000     -0.2970000       1.418000
  1 1 1     -30  -25    6 o    4.282000      0.6298000       5.073000 0.7201000       3.492000       1.033000       1.581000       1.260000
  1 1 1     -30  -25    7 o    10.87000      0.3435000       10.34000 0.4906000       11.40000      0.4809000      -1.061000      0.6870000
  1 1 1     -30  -25    8 o    1.856000      0.6034000       1.839000 0.8461000       1.873000      0.8604000     -0.3476000E-01   1.207000
  1 1 1     -30  -25    9 o    3.542000      0.7015000       4.009000 0.9481000       3.076000       1.034000      0.9333000       1.403000
  1 1 1     -30  -25   10 o    3.591000      0.7187000       2.701000 1.035000       4.482000      0.9976000      -1.781000       1.437000
  1 1 1     -30  -25   11 o    4.702000      0.6317000       4.588000 0.8560000       4.817000      0.9293000     -0.2295000       1.263000
  1 1 1     -30  -25   12 o    2.772000      0.7220000       2.652000 0.9880000       2.892000       1.053000     -0.2400000       1.444000
  1 1 1     -30  -25   13 o    2.549000      0.7102000       2.534000 0.9992000       2.565000       1.010000     -0.3096000E-01   1.420000
  1 1 1     -30  -25   14 o    5.722000      0.5498000       6.274000 0.6676000       5.170000      0.8738000       1.104000       1.100000
  1 1 1     -30  -25   15 o    2.690000      0.7186000       2.168000 0.9368000       3.212000       1.090000      -1.044000       1.437000
  1 1 1     -30  -25   16 o    2.213000      0.6618000       2.522000 0.9848000       1.903000      0.8843000      0.6198000       1.324000
  1 1 1     -30  -25   17 o    2.757000      0.7110000       2.928000 0.9955000       2.586000       1.015000      0.3423000       1.422000
  1 1 1     -30  -24    1 o    3.811000      0.6284000       4.255000 0.8190000       3.368000      0.9532000      0.8867000       1.257000
  1 1 1     -30  -24    2 o    3.060000      0.7028000       3.021000 0.9753000       3.098000       1.012000     -0.7721000E-01   1.406000
  1 1 1     -30  -24    3 o    4.588000      0.7027000       4.052000 0.7098000       5.125000       1.213000      -1.073000       1.405000
  1 1 1     -30  -24    4 o    3.071000      0.7788000       2.202000 0.9623000       3.940000       1.225000      -1.738000       1.558000
  1 1 1     -30  -24    5 o    7.684000      0.5535000       7.684000 0.5535000                  ?              ?              ?              ?
  1 1 1     -30  -24    6 o    3.300000      0.7058000       3.787000 0.9510000       2.812000       1.043000      0.9754000       1.412000
  1 1 1     -30  -24    7 o    7.758000      0.6175000                  ?       ?   7.758000      0.6175000                  ?              ?
  1 1 1     -30  -24    8 o    2.115000      0.6568000       2.270000 0.9733000       1.960000      0.8823000      0.3102000       1.314000
  1 1 1     -30  -24    9 o    3.130000      0.6865000       4.070000 0.9874000       2.191000      0.9540000       1.878000       1.373000
  1 1 1     -30  -24   10 o    5.876000      0.4958000       5.680000 0.6876000       6.073000      0.7144000     -0.3927000      0.9915000
  1 1 1     -30  -24   11 o    4.963000      0.5839000       4.738000 0.8042000       5.189000      0.8467000     -0.4515000       1.168000
  1 1 1     -30  -24   12 o    3.743000      0.7029000       3.183000 1.013000       4.302000      0.9745000      -1.119000       1.406000
  1 1 1     -30  -24   13 o    3.596000      0.6915000       4.360000 0.8824000       2.833000       1.065000       1.527000       1.383000
  1 1 1     -30  -24   14 o    2.758000      0.7350000       2.438000 0.9796000       3.077000       1.096000     -0.6388000       1.470000
  1 1 1     -30  -24   15 f    3.600000      0.6778000       4.231000 0.8580000       2.968000       1.050000       1.263000       1.356000
  1 1 1     -30  -24   16 o    2.537000      0.7032000       2.541000 0.9774000       2.534000       1.011000      0.6654000E-02   1.406000
  1 1 1     -30  -24   17 o    2.483000      0.6968000       2.691000 1.010000       2.275000      0.9597000      0.4163000       1.394000
  1 1 1     -30  -24   18 o    2.875000      0.7248000       2.442000 0.9887000       3.308000       1.060000     -0.8658000       1.450000
  1 1 1     -30  -23    1 o    3.559000      0.8156000       4.231000 1.176000       2.887000       1.130000       1.344000       1.631000
  1 1 1     -30  -23    2 o    2.985000      0.7049000       3.216000 0.8988000       2.754000       1.086000      0.4621000       1.410000
  1 1 1     -30  -23    3 o    2.401000      0.6567000       2.925000 0.9902000       1.878000      0.8628000       1.047000       1.313000
  1 1 1     -30  -23    4 o    3.777000      0.6364000       3.884000 0.8816000       3.670000      0.9180000      0.2141000       1.273000
  1 1 1     -30  -23    5 o    8.938000      0.6443000       8.938000 0.6443000                  ?              ?              ?              ?
  1 1 1     -30  -23    6 o    4.582000      0.6178000       5.690000 0.7025000       3.474000       1.017000       2.216000       1.236000
  1 1 1     -30  -23    7 o    2.889000       1.053000                  ?       ?   2.889000       1.053000                  ?              ?
  1 1 1     -30  -23    8 o    4.758000      0.6360000       5.105000 0.7556000       4.411000       1.023000      0.6942000       1.272000
  1 1 1     -30  -23    9 o    2.760000      0.6757000       3.566000 1.008000       1.953000      0.8996000       1.614000       1.351000
  1 1 1     -30  -23   10 f    5.703000      0.5179000       5.466000 0.7638000       5.939000      0.6996000     -0.4725000       1.036000
  1 1 1     -30  -23   11 o    2.229000      0.6583000       2.719000 1.026000       1.740000      0.8250000      0.9792000       1.317000
  1 1 1     -30  -23   12 o    7.603000      0.4379000       7.335000 0.6139000       7.870000      0.6245000     -0.5348000      0.8757000
  1 1 1     -30  -23   13 o    5.826000      0.5416000       5.926000 0.7350000       5.727000      0.7957000      0.1992000       1.083000
  1 1 1     -30  -23   14 o    4.005000      0.6868000       3.377000 1.020000       4.633000      0.9200000      -1.256000       1.374000
  1 1 1     -30  -23   15 o    4.000000      0.6827000       5.077000 0.8344000       2.923000       1.081000       2.154000       1.365000
  1 1 1     -30  -23   16 o    4.077000      0.7074000       3.888000 1.007000       4.265000      0.9942000     -0.3769000       1.415000
  1 1 1     -30  -23   17 o    1.927000      0.6157000       2.073000 0.9025000       1.780000      0.8378000      0.2927000       1.231000
  1 1 1     -30  -23   18 o    2.658000      0.7144000       2.897000 1.030000       2.419000      0.9898000      0.4777000       1.429000
  1 1 1     -30  -23   19 o    3.400000      0.7453000       3.325000 1.051000       3.475000       1.057000     -0.1500000       1.491000
  1 1 1     -30  -22    1 o    12.88000      0.3056000       12.75000 0.4214000       13.01000      0.4426000     -0.2623000      0.6111000
  1 1 1     -30  -22    2 o    10.01000      0.4789000       9.888000 0.7189000       10.14000      0.6329000     -0.2510000      0.9578000
  1 1 1     -30  -22    3 o    7.825000      0.5377000       7.591000 0.8387000       8.060000      0.6730000     -0.4697000       1.075000
  1 1 1     -30  -22    4 o    6.869000      0.4318000       6.755000 0.5900000       6.982000      0.6305000     -0.2279000      0.8635000
  1 1 1     -30  -22    5 o    7.403000      0.3759000       7.610000 0.4982000       7.195000      0.5630000      0.4146000      0.7518000
  1 1 1     -30  -22    7 o    4.488000      0.6280000       4.060000 0.9253000       4.916000      0.8495000     -0.8559000       1.256000
  1 1 1     -30  -22    8 o    3.680000      0.6674000       4.447000 0.8197000       2.913000       1.053000       1.534000       1.335000
  1 1 1     -30  -22    9 o    2.476000      0.7147000       2.200000 0.9520000       2.753000       1.066000     -0.5534000       1.429000
  1 1 1     -30  -22   10 o    2.717000      0.7158000       3.210000 1.039000       2.223000      0.9845000      0.9873000       1.432000
  1 1 1     -30  -22   11 o    2.912000      0.7543000       2.712000 1.015000       3.111000       1.116000     -0.3994000       1.509000
  1 1 1     -30  -22   12 o    5.043000      0.6375000       5.829000 0.7084000       4.258000       1.060000       1.571000       1.275000
  1 1 1     -30  -22   13 o    3.979000      0.7380000       3.594000 1.033000       4.364000       1.054000     -0.7697000       1.476000
  1 1 1     -30  -22   14 o    1.923000      0.6245000       1.826000 0.8524000       2.021000      0.9128000     -0.1947000       1.249000
  1 1 1     -30  -22   15 o    2.966000      0.7157000       2.334000 0.9738000       3.598000       1.049000      -1.264000       1.431000
  1 1 1     -30  -22   16 o    2.617000      0.7057000       2.129000 0.9386000       3.104000       1.054000     -0.9748000       1.411000
  1 1 1     -30  -22   17 o    2.642000      0.7283000       2.767000 1.030000       2.517000       1.029000      0.2500000       1.457000
  1 1 1     -30  -22   18 o    2.875000      0.7379000       3.128000 1.041000       2.623000       1.046000      0.5058000       1.476000
  1 1 1     -30  -22   19 o    2.153000      0.6588000       1.965000 0.8859000       2.341000      0.9754000     -0.3754000       1.318000
  1 1 1     -30  -21    1 o    9.117000      0.3286000       9.284000 0.4315000       8.950000      0.4957000      0.3339000      0.6572000
  1 1 1     -30  -21    2 f    2.995000      0.7038000       2.771000 0.9809000       3.220000       1.009000     -0.4488000       1.408000
  1 1 1     -30  -21    3 o    4.472000      0.8056000       5.042000 1.140000       3.901000       1.138000       1.141000       1.611000
  1 1 1     -30  -21    4 o    3.875000      0.7690000       3.367000 0.9391000       4.383000       1.218000      -1.016000       1.538000
  1 1 1     -30  -21    5 o    11.45000      0.3353000       11.29000 0.4689000       11.60000      0.4795000     -0.3177000      0.6706000
  1 1 1     -30  -21    6 o    6.496000      0.6435000       6.421000 0.8519000       6.571000      0.9646000     -0.1502000       1.287000
  1 1 1     -30  -21    7 o    4.723000      0.7660000       5.388000 0.9258000       4.058000       1.221000       1.330000       1.532000
  1 1 1     -30  -21    8 o    4.455000      0.6018000       4.673000 0.7583000       4.238000      0.9348000      0.4351000       1.204000
  1 1 1     -30  -21    9 o    7.319000      0.4161000       6.882000 0.5680000       7.757000      0.6084000     -0.8745000      0.8323000
  1 1 1     -30  -21   10 o    4.124000      0.6885000       4.425000 0.9174000       3.823000       1.027000      0.6012000       1.377000
  1 1 1     -30  -21   11 o    2.433000      0.6998000       2.162000 0.9310000       2.704000       1.045000     -0.5417000       1.400000
  1 1 1     -30  -21   12 o    4.334000      0.6705000       5.035000 0.8215000       3.633000       1.060000       1.401000       1.341000
  1 1 1     -30  -21   13 o    3.802000      0.7282000       3.822000 1.021000       3.782000       1.038000      0.3927000E-01   1.456000
  1 1 1     -30  -21   14 o    3.681000      0.7014000       2.773000 1.038000       4.589000      0.9436000      -1.816000       1.403000
  1 1 1     -30  -21   15 o    2.007000      0.6422000       1.996000 0.9012000       2.018000      0.9151000     -0.2172000E-01   1.284000
  1 1 1     -30  -21   16 o    2.844000      0.6872000       1.920000 0.8863000       3.768000       1.050000      -1.848000       1.374000
  1 1 1     -30  -21   17 o    3.657000      0.7154000       4.273000 0.9477000       3.040000       1.072000       1.233000       1.431000
  1 1 1     -30  -21   18 o    3.891000      0.7253000       3.757000 0.9986000       4.025000       1.052000     -0.2681000       1.451000
  1 1 1     -30  -21   19 o    3.378000      0.7301000       3.932000 1.001000       2.825000       1.063000       1.107000       1.460000
  1 1 1     -30  -21   20 o    2.812000      0.6817000       3.517000 1.006000       2.108000      0.9205000       1.408000       1.363000
  1 1 1     -30  -20    1 o    3.612000      0.6565000       3.153000 0.9536000       4.070000      0.9024000     -0.9162000       1.313000
  1 1 1     -30  -20    2 o    3.819000      0.6377000       3.981000 0.8561000       3.657000      0.9454000      0.3235000       1.275000
  1 1 1     -30  -20    3 o    10.97000      0.3208000       11.32000 0.4441000       10.62000      0.4630000      0.7012000      0.6416000
  1 1 1     -30  -20    4 o    8.706000      0.5406000       7.958000 0.8348000       9.453000      0.6870000      -1.495000       1.081000
  1 1 1     -30  -20    5 o    7.369000      0.4200000       7.302000 0.5686000       7.435000      0.6184000     -0.1323000      0.8401000
  1 1 1     -30  -20    6 o    5.997000      0.4706000       6.251000 0.6514000       5.743000      0.6794000      0.5079000      0.9413000
  1 1 1     -30  -20    7 o    4.029000      0.7866000       4.894000 0.9931000       3.165000       1.220000       1.729000       1.573000
  1 1 1     -30  -20    8 o    2.475000      0.7457000       2.699000 1.068000       2.251000       1.041000      0.4480000       1.491000
  1 1 1     -30  -20    9 o    3.780000      0.6999000       3.835000 0.9518000       3.725000       1.026000      0.1099000       1.400000
  1 1 1     -30  -20   10 o    4.002000      0.6803000       4.675000 0.8333000       3.329000       1.076000       1.346000       1.361000
  1 1 1     -30  -20   11 o    3.420000      0.7265000       3.688000 0.9821000       3.152000       1.071000      0.5362000       1.453000
  1 1 1     -30  -20   12 f    2.402000      0.6992000       2.490000 0.9948000       2.313000      0.9828000      0.1765000       1.398000
  1 1 1     -30  -20   13 o    2.755000      0.7403000       2.745000 1.027000       2.765000       1.067000     -0.2065000E-01   1.481000
  1 1 1     -30  -20   14 o    3.104000      0.7278000       3.515000 1.016000       2.693000       1.042000      0.8215000       1.456000
  1 1 1     -30  -20   15 o    3.944000      0.7243000       3.701000 1.016000       4.187000       1.033000     -0.4858000       1.449000
  1 1 1     -30  -20   16 o    5.873000      0.5188000       6.270000 0.6797000       5.476000      0.7839000      0.7938000       1.038000
  1 1 1     -30  -20   17 o    2.481000      0.6992000       2.698000 1.018000       2.263000      0.9583000      0.4345000       1.398000
  1 1 1     -30  -20   18 o    2.965000      0.7323000       3.017000 1.015000       2.912000       1.056000      0.1051000       1.465000
  1 1 1     -30  -20   19 o    2.898000      0.7133000       2.402000 0.9694000       3.395000       1.047000     -0.9925000       1.427000
  1 1 1     -30  -20   20 o    3.139000      0.7189000       2.765000 1.007000       3.514000       1.026000     -0.7488000       1.438000
  1 1 1     -30  -20   21 o    2.163000      0.9933000       2.163000 0.9933000                  ?              ?              ?              ?
  1 1 1     -30  -19    1 o    4.440000      0.5798000       3.917000 0.8869000       4.962000      0.7471000      -1.045000       1.160000
  1 1 1     -30  -19    2 o    3.542000      0.6767000       3.739000 0.9198000       3.345000      0.9929000      0.3942000       1.353000
  1 1 1     -30  -19    3 o    8.757000      0.3376000       8.436000 0.4795000       9.079000      0.4753000     -0.6434000      0.6752000
  1 1 1     -30  -19    4 o    5.759000      0.5859000       5.459000 1.007000       6.060000      0.5991000     -0.6011000       1.172000
  1 1 1     -30  -19    5 o    2.841000      0.8029000       3.220000 1.199000       2.463000       1.069000      0.7570000       1.606000
  1 1 1     -30  -19    6 o    7.456000      0.5418000       7.456000 0.5418000                  ?              ?              ?              ?
  1 1 1     -30  -19    7 o    3.272000      0.7196000       2.954000 1.018000       3.591000       1.018000     -0.6367000       1.439000
  1 1 1     -30  -19    8 o    4.599000       1.204000                  ?       ?   4.599000       1.204000                  ?              ?
  1 1 1     -30  -19    9 o    4.702000      0.6174000       4.786000 0.8076000       4.618000      0.9340000      0.1673000       1.235000
  1 1 1     -30  -19   10 o    6.031000      0.4935000       5.910000 0.6829000       6.151000      0.7127000     -0.2407000      0.9870000
  1 1 1     -30  -19   11 o    3.162000      0.7451000       2.921000 1.038000       3.403000       1.070000     -0.4817000       1.490000
  1 1 1     -30  -19   12 o    2.452000      0.6796000       2.963000 1.026000       1.940000      0.8918000       1.023000       1.359000
  1 1 1     -30  -19   13 o    2.864000      0.7444000       2.645000 1.038000       3.084000       1.067000     -0.4395000       1.489000
  1 1 1     -30  -19   14 o    3.497000      0.7337000       3.719000 0.9967000       3.275000       1.077000      0.4443000       1.467000
  1 1 1     -30  -19   15 o    6.205000      0.5075000       6.978000 0.6168000       5.432000      0.8061000       1.547000       1.015000
  1 1 1     -30  -19   16 o    3.893000      0.7075000       3.894000 1.002000       3.893000      0.9993000      0.1443000E-02   1.415000
  1 1 1     -30  -19   17 o    5.007000      0.6010000       5.475000 0.7674000       4.539000      0.9251000      0.9358000       1.202000
  1 1 1     -30  -19   18 o    2.539000      0.6832000       2.024000 0.9064000       3.055000       1.022000      -1.031000       1.366000
  1 1 1     -30  -19   19 o    3.197000      0.7001000       2.445000 0.9801000       3.948000       1.000000      -1.503000       1.400000
  1 1 1     -30  -19   20 o    2.831000      0.7055000       2.445000 0.9844000       3.218000       1.011000     -0.7734000       1.411000
  1 1 1     -30  -19   21 o    1.716000      0.5722000       1.816000 0.8401000       1.616000      0.7772000      0.2005000       1.144000
  1 1 1     -30  -18    1 o    5.623000      0.4508000       5.661000 0.6052000       5.585000      0.6683000      0.7630000E-01  0.9016000
  1 1 1     -30  -18    2 f    9.806000      0.3176000       9.483000 0.4484000       10.13000      0.4499000     -0.6465000      0.6352000
  1 1 1     -30  -18    3 o    3.762000      0.6225000       4.631000 0.7423000       2.892000      0.9994000       1.739000       1.245000
  1 1 1     -30  -18    4 o    8.110000      0.3659000       8.757000 0.4803000       7.463000      0.5522000       1.294000      0.7319000
  1 1 1     -30  -18    5 f    7.488000      0.5694000       7.569000 0.8022000       7.407000      0.8083000      0.1622000       1.139000
  1 1 1     -30  -18    6 o    5.556000       1.037000       5.556000 1.037000                  ?              ?              ?              ?
  1 1 1     -30  -18    7 o    3.344000      0.7006000       3.432000 0.9609000       3.257000       1.020000      0.1750000       1.401000
  1 1 1     -30  -18    8 o    2.526000       1.119000                  ?       ?   2.526000       1.119000                  ?              ?
  1 1 1     -30  -18    9 o    4.449000      0.8202000       3.783000 1.114000       5.115000       1.204000      -1.332000       1.640000
  1 1 1     -30  -18   10 o    2.491000      0.6501000       1.708000 0.8033000       3.273000       1.022000      -1.566000       1.300000
  1 1 1     -30  -18   11 o    2.588000      0.7052000       2.635000 1.005000       2.542000      0.9892000      0.9275000E-01   1.410000
  1 1 1     -30  -18   12 o    6.199000      0.4816000       6.133000 0.6750000       6.266000      0.6872000     -0.1332000      0.9632000
  1 1 1     -30  -18   13 o    3.962000      0.6933000       3.996000 0.9577000       3.928000       1.003000      0.6784000E-01   1.387000
  1 1 1     -30  -18   14 o    6.191000      0.4786000       5.917000 0.6835000       6.465000      0.6703000     -0.5483000      0.9573000
  1 1 1     -30  -18   15 f    3.819000      0.7132000       3.751000 0.9719000       3.888000       1.044000     -0.1364000       1.426000
  1 1 1     -30  -18   16 o    2.267000      0.6607000       2.696000 1.000000       1.837000      0.8635000      0.8592000       1.321000
  1 1 1     -30  -18   17 o    5.345000      0.5275000       5.602000 0.7047000       5.089000      0.7850000      0.5137000       1.055000
  1 1 1     -30  -18   18 f    2.297000      0.6754000       1.959000 0.8854000       2.634000       1.020000     -0.6749000       1.351000
  1 1 1     -30  -18   19 f    4.340000      0.6357000       4.658000 0.8171000       4.022000      0.9742000      0.6361000       1.271000
  1 1 1     -30  -18   20 o    5.863000      0.5049000       5.881000 0.6904000       5.844000      0.7368000      0.3617000E-01   1.010000
  1 1 1     -30  -18   21 o    2.942000      0.7178000       2.572000 1.012000       3.311000       1.019000     -0.7389000       1.436000
  1 1 1     -30  -17    1 o    11.66000      0.2987000       11.57000 0.4147000       11.75000      0.4301000     -0.1826000      0.5974000
  1 1 1     -30  -17    2 o    17.18000      0.3110000       17.39000 0.4397000       16.97000      0.4399000      0.4200000      0.6220000
  1 1 1     -30  -17    3 o    3.252000      0.6839000       3.352000 0.9412000       3.153000      0.9925000      0.1998000       1.368000
  1 1 1     -30  -17    4 o    3.409000      0.6707000       3.453000 0.9307000       3.365000      0.9661000      0.8785000E-01   1.341000
  1 1 1     -30  -17    5 o    3.706000      0.6489000       3.318000 0.9078000       4.095000      0.9276000     -0.7764000       1.298000
  1 1 1     -30  -17    6 o    4.481000      0.7996000       4.499000 1.094000       4.463000       1.166000      0.3563000E-01   1.599000
  1 1 1     -30  -17    7 o    2.598000      0.6797000       2.314000 0.9270000       2.882000      0.9943000     -0.5677000       1.359000
  1 1 1     -30  -17    8 o    2.972000      0.6669000       2.179000 0.9069000       3.766000      0.9781000      -1.587000       1.334000
  1 1 1     -30  -17    9 o    2.826000      0.7921000       2.258000 0.9925000       3.393000       1.235000      -1.135000       1.584000
  1 1 1     -30  -17   10 o    5.153000      0.5484000       5.383000 0.7164000       4.923000      0.8304000      0.4597000       1.097000
  1 1 1     -30  -17   11 o    4.790000      0.5814000       4.955000 0.8092000       4.626000      0.8351000      0.3288000       1.163000
  1 1 1     -30  -17   12 o    11.22000      0.3345000       10.82000 0.4800000       11.62000      0.4661000     -0.7972000      0.6691000
  1 1 1     -30  -17   13 o    4.327000      0.6502000       4.086000 0.9423000       4.568000      0.8961000     -0.4825000       1.300000
  1 1 1     -30  -17   14 o    6.779000      0.4425000       6.858000 0.6111000       6.700000      0.6402000      0.1581000      0.8850000
  1 1 1     -30  -17   15 o    3.656000      0.6851000       2.731000 1.022000       4.581000      0.9129000      -1.850000       1.370000
  1 1 1     -30  -17   16 o    1.873000      0.6010000       2.225000 0.9409000       1.522000      0.7480000      0.7028000       1.202000
  1 1 1     -30  -17   17 o    2.209000      0.6716000       2.308000 0.9728000       2.110000      0.9261000      0.1976000       1.343000
  1 1 1     -30  -17   18 o    2.653000      0.7098000       2.298000 0.9616000       3.009000       1.044000     -0.7107000       1.420000
  1 1 1     -30  -17   19 o    6.224000      0.4915000       5.502000 0.7532000       6.947000      0.6315000      -1.444000      0.9829000
  1 1 1     -30  -17   20 o    7.012000      0.4337000       6.742000 0.6379000       7.282000      0.5878000     -0.5406000      0.8674000
  1 1 1     -30  -17   21 o    2.830000      0.7207000       2.657000 1.013000       3.004000       1.025000     -0.3469000       1.441000
  1 1 1     -30  -17   22 o    2.794000      0.7479000       2.399000 1.022000       3.189000       1.092000     -0.7906000       1.496000
  1 1 1     -30  -16    1 o    3.714000      0.6234000       3.176000 0.9221000       4.252000      0.8391000      -1.076000       1.247000
  1 1 1     -30  -16    2 o    4.054000      0.5801000       3.259000 0.9198000       4.850000      0.7070000      -1.590000       1.160000
  1 1 1     -30  -16    3 o    3.730000      0.6182000       4.234000 0.7697000       3.227000      0.9676000       1.008000       1.236000
  1 1 1     -30  -16    4 o    3.115000      0.6505000       3.626000 0.8816000       2.604000      0.9566000       1.022000       1.301000
  1 1 1     -30  -16    5 o    7.764000      0.3659000       8.245000 0.4769000       7.283000      0.5551000      0.9618000      0.7318000
  1 1 1     -30  -16    6 o    6.612000      0.6042000       6.523000 0.8405000       6.701000      0.8681000     -0.1780000       1.208000
  1 1 1     -30  -16    7 o    4.406000      0.6735000       4.736000 0.7477000       4.077000       1.120000      0.6598000       1.347000
  1 1 1     -30  -16    8 o    2.497000      0.6849000       2.569000 0.9680000       2.425000      0.9692000      0.1437000       1.370000
  1 1 1     -30  -16    9 o    3.068000      0.8300000       2.712000 1.085000       3.424000       1.256000     -0.7120000       1.660000
  1 1 1     -30  -16   10 o    2.714000      0.7909000       2.361000 1.020000       3.067000       1.209000     -0.7057000       1.582000
  1 1 1     -30  -16   11 o    6.650000      0.4520000       6.153000 0.6871000       7.146000      0.5874000     -0.9925000      0.9040000
  1 1 1     -30  -16   12 o    9.116000      0.3627000       9.008000 0.5192000       9.224000      0.5066000     -0.2162000      0.7254000
  1 1 1     -30  -16   13 o    3.894000      0.6790000       3.137000 1.042000       4.652000      0.8708000      -1.514000       1.358000
  1 1 1     -30  -16   14 o    2.924000      0.7343000       3.179000 1.054000       2.669000       1.023000      0.5102000       1.469000
  1 1 1     -30  -16   15 o    8.290000      0.3978000       8.459000 0.5421000       8.121000      0.5824000      0.3386000      0.7956000
  1 1 1     -30  -16   16 o    3.595000      0.7264000       3.119000 1.034000       4.070000       1.020000     -0.9512000       1.453000
  1 1 1     -30  -16   17 o    3.848000      0.6895000       4.722000 0.8664000       2.974000       1.073000       1.749000       1.379000
  1 1 1     -30  -16   18 o    3.050000      0.7347000       2.757000 1.038000       3.342000       1.040000     -0.5846000       1.469000
  1 1 1     -30  -16   19 o    7.111000      0.4440000       7.918000 0.5725000       6.305000      0.6789000       1.613000      0.8880000
  1 1 1     -30  -16   20 o    3.207000      0.7305000       3.414000 1.016000       3.000000       1.049000      0.4136000       1.461000
  1 1 1     -30  -16   21 o    5.211000      0.5538000       5.545000 0.7312000       4.877000      0.8319000      0.6678000       1.108000
  1 1 1     -30  -16   22 o    2.838000      0.6879000       3.515000 1.013000       2.161000      0.9314000       1.354000       1.376000
  1 1 1     -30  -15    1 o    8.627000      0.3226000       8.670000 0.4379000       8.585000      0.4737000      0.8533000E-01  0.6451000
  1 1 1     -30  -15    2 o    2.231000      0.6292000       1.882000 0.8249000       2.579000      0.9503000     -0.6969000       1.258000
  1 1 1     -30  -15    3 o    7.284000      0.3648000       7.328000 0.5134000       7.241000      0.5182000      0.8792000E-01  0.7295000
  1 1 1     -30  -15    4 o    5.827000      0.4373000       5.714000 0.6193000       5.940000      0.6175000     -0.2256000      0.8746000
  1 1 1     -30  -15    5 o    5.500000      0.4609000       5.517000 0.6026000       5.483000      0.6975000      0.3414000E-01  0.9218000
  1 1 1     -30  -15    6 o    6.875000      0.5837000       7.386000 0.7369000       6.364000      0.9055000       1.022000       1.167000
  1 1 1     -30  -15    7 o    4.486000       1.106000       4.486000 1.106000                  ?              ?              ?              ?
  1 1 1     -30  -15    8 o    7.818000      0.3690000       8.226000 0.4891000       7.410000      0.5528000      0.8160000      0.7381000
  1 1 1     -30  -15    9 o    2.367000       1.069000                  ?       ?   2.367000       1.069000                  ?              ?
  1 1 1     -30  -15   10 o    9.382000      0.5022000       9.977000 0.6352000       8.787000      0.7779000       1.190000       1.004000
  1 1 1     -30  -15   11 o    6.477000      0.4479000       5.931000 0.6777000       7.024000      0.5858000      -1.093000      0.8958000
  1 1 1     -30  -15   12 o    3.349000      0.7231000       3.402000 1.016000       3.295000       1.029000      0.1063000       1.446000
  1 1 1     -30  -15   13 o    6.847000      0.4454000       6.648000 0.6598000       7.046000      0.5986000     -0.3973000      0.8909000
  1 1 1     -30  -15   14 o    2.965000      0.6947000       3.814000 1.033000       2.117000      0.9293000       1.697000       1.389000
  1 1 1     -30  -15   15 o    5.623000      0.5422000       5.692000 0.7507000       5.554000      0.7825000      0.1383000       1.084000
  1 1 1     -30  -15   16 o    3.929000      0.7239000       3.291000 1.052000       4.566000      0.9951000      -1.275000       1.448000
  1 1 1     -30  -15   17 o    3.585000      0.7111000       2.798000 1.059000       4.372000      0.9493000      -1.574000       1.422000
  1 1 1     -30  -15   18 o    4.841000      0.6132000       4.557000 0.8947000       5.126000      0.8387000     -0.5695000       1.226000
  1 1 1     -30  -15   19 o    8.712000      0.3730000       8.754000 0.5190000       8.671000      0.5358000      0.8318000E-01  0.7459000
  1 1 1     -30  -15   20 o    2.826000      0.6806000       2.095000 0.9276000       3.558000      0.9961000      -1.463000       1.361000
  1 1 1     -30  -15   21 o    4.753000      0.5953000       4.204000 0.9341000       5.302000      0.7381000      -1.098000       1.191000
  1 1 1     -30  -15   22 o    3.713000      0.6786000       3.698000 0.9480000       3.729000      0.9712000     -0.3139000E-01   1.357000
  1 1 1     -30  -14    1 o    18.90000      0.3172000       18.56000 0.4402000       19.25000      0.4569000     -0.6861000      0.6344000
  1 1 1     -30  -14    2 o    11.43000      0.2939000       11.51000 0.4077000       11.35000      0.4235000      0.1626000      0.5878000
  1 1 1     -30  -14    3 o    13.21000      0.2927000       13.43000 0.4133000       13.00000      0.4145000      0.4216000      0.5854000
  1 1 1     -30  -14    4 o    7.630000      0.3512000       7.815000 0.4814000       7.444000      0.5116000      0.3707000      0.7025000
  1 1 1     -30  -14    5 o    8.938000      0.3328000       8.909000 0.4668000       8.967000      0.4743000     -0.5854000E-01  0.6655000
  1 1 1     -30  -14    6 f    1.895000      0.5933000       2.132000 0.8889000       1.657000      0.7861000      0.4746000       1.187000
  1 1 1     -30  -14    7 o    8.676000      0.6832000       8.676000 0.6832000                  ?              ?              ?              ?
  1 1 1     -30  -14    8 o    10.77000      0.3218000       10.94000 0.4470000       10.60000      0.4631000      0.3453000      0.6436000
  1 1 1     -30  -14    9 o    3.984000      0.9525000                  ?       ?   3.984000      0.9525000                  ?              ?
  1 1 1     -30  -14   10 o    8.165000      0.5501000       8.219000 0.7152000       8.112000      0.8361000      0.1070000       1.100000
  1 1 1     -30  -14   11 o    8.753000      0.3691000       8.484000 0.5300000       9.022000      0.5139000     -0.5383000      0.7382000
  1 1 1     -30  -14   12 o    5.042000      0.5669000       5.218000 0.7642000       4.866000      0.8375000      0.3524000       1.134000
  1 1 1     -30  -14   13 o    4.019000      0.6993000       4.081000 0.9956000       3.956000      0.9823000      0.1242000       1.399000
  1 1 1     -30  -14   14 o    3.016000      0.7291000       2.606000 1.029000       3.425000       1.033000     -0.8188000       1.458000
  1 1 1     -30  -14   15 o    3.124000      0.7312000       3.419000 1.025000       2.829000       1.043000      0.5899000       1.462000
  1 1 1     -30  -14   16 o    7.164000      0.4394000       7.342000 0.5932000       6.986000      0.6485000      0.3559000      0.8789000
  1 1 1     -30  -14   17 o    6.041000      0.5005000       6.133000 0.6727000       5.948000      0.7413000      0.1850000       1.001000
  1 1 1     -30  -14   18 o    4.747000      0.6018000       5.128000 0.7737000       4.366000      0.9220000      0.7615000       1.204000
  1 1 1     -30  -14   19 o    9.273000      0.3640000       9.155000 0.5142000       9.392000      0.5154000     -0.2370000      0.7280000
  1 1 1     -30  -14   20 o    4.933000      0.5826000       4.601000 0.8724000       5.266000      0.7725000     -0.6649000       1.165000
  1 1 1     -30  -14   21 o    3.170000      0.6502000       2.085000 0.9167000       4.254000      0.9224000      -2.169000       1.300000
  1 1 1     -30  -14   22 o    2.970000      0.6990000       2.540000 0.9894000       3.401000      0.9877000     -0.8606000       1.398000
  1 1 1     -30  -13    1 o    9.144000      0.3048000       9.134000 0.4230000       9.155000      0.4390000     -0.2125000E-01  0.6096000
  1 1 1     -30  -13    2 o    4.354000      0.5443000       4.094000 0.7944000       4.615000      0.7444000     -0.5206000       1.089000
  1 1 1     -30  -13    3 o    2.934000      0.6645000       2.924000 0.9326000       2.944000      0.9469000     -0.1946000E-01   1.329000
  1 1 1     -30  -13    4 o    7.840000      0.3463000       7.713000 0.4856000       7.967000      0.4938000     -0.2546000      0.6926000
  1 1 1     -30  -13    5 o    8.293000      0.3391000       8.017000 0.4798000       8.568000      0.4793000     -0.5512000      0.6781000
  1 1 1     -30  -13    6 o    3.011000      0.5784000       1.646000 0.7743000       4.375000      0.8596000      -2.729000       1.157000
  1 1 1     -30  -13    7 o    2.341000      0.7168000       2.720000 1.098000       1.963000      0.9213000      0.7569000       1.434000
  1 1 1     -30  -13    8 o    2.701000      0.7631000       2.458000 0.9597000       2.945000       1.187000     -0.4868000       1.526000
  1 1 1     -30  -13    9 o    2.711000      0.6868000       2.594000 0.9486000       2.828000      0.9935000     -0.2344000       1.374000
  1 1 1     -30  -13   10 o    5.815000      0.7271000       5.804000 0.9549000       5.825000       1.097000     -0.2073000E-01   1.454000
  1 1 1     -30  -13   11 o    3.281000      0.6920000       4.011000 0.9506000       2.550000       1.006000       1.461000       1.384000
  1 1 1     -30  -13   12 o    6.447000      0.4660000       7.484000 0.5644000       5.410000      0.7416000       2.074000      0.9319000
  1 1 1     -30  -13   13 o    3.766000      0.6985000       3.206000 1.035000       4.326000      0.9382000      -1.120000       1.397000
  1 1 1     -30  -13   14 o    4.114000      0.6743000       4.172000 0.9485000       4.056000      0.9586000      0.1156000       1.349000
  1 1 1     -30  -13   15 o    7.875000      0.4017000       7.824000 0.5761000       7.926000      0.5600000     -0.1015000      0.8034000
  1 1 1     -30  -13   16 o    5.590000      0.5469000       6.366000 0.6295000       4.815000      0.8945000       1.550000       1.094000
  1 1 1     -30  -13   17 o    5.136000      0.5644000       4.911000 0.7964000       5.361000      0.8000000     -0.4498000       1.129000
  1 1 1     -30  -13   18 o    3.257000      0.7272000       3.459000 1.029000       3.054000       1.028000      0.4053000       1.454000
  1 1 1     -30  -13   19 o    6.067000      0.4960000       5.226000 0.7842000       6.908000      0.6074000      -1.682000      0.9919000
  1 1 1     -30  -13   20 o    3.575000      0.7069000       3.490000 1.031000       3.660000      0.9671000     -0.1702000       1.414000
  1 1 1     -30  -13   21 o    4.238000      0.6256000       5.561000 0.7308000       2.915000       1.016000       2.646000       1.251000
  1 1 1     -30  -13   22 o    2.198000      0.6589000       2.376000 0.9655000       2.019000      0.8968000      0.3572000       1.318000
  1 1 1     -30  -12    1 o    1.981000      0.5936000       1.695000 0.7745000       2.268000      0.8997000     -0.5731000       1.187000
  1 1 1     -30  -12    2 o    3.067000      0.6598000       3.151000 0.9091000       2.983000      0.9566000      0.1679000       1.320000
  1 1 1     -30  -12    3 f    8.333000      0.3214000       8.199000 0.4585000       8.467000      0.4504000     -0.2673000      0.6428000
  1 1 1     -30  -12    4 o    4.826000      0.5097000       4.999000 0.6653000       4.652000      0.7723000      0.3468000       1.019000
  1 1 1     -30  -12    5 o    4.405000      0.5320000       4.167000 0.7902000       4.644000      0.7127000     -0.4774000       1.064000
  1 1 1     -30  -12    6 o    10.97000      0.3055000       10.94000 0.4284000       11.00000      0.4356000     -0.6741000E-01  0.6110000
  1 1 1     -30  -12    7 o    3.928000      0.8178000       3.620000 1.157000       4.235000       1.156000     -0.6152000       1.636000
  1 1 1     -30  -12    8 f    8.204000      0.3576000       7.759000 0.5253000       8.648000      0.4855000     -0.8890000      0.7153000
  1 1 1     -30  -12    9 o    4.591000      0.6110000       4.001000 0.9368000       5.181000      0.7848000      -1.180000       1.222000
  1 1 1     -30  -12   10 o    4.551000      0.8251000       4.672000 1.116000       4.431000       1.215000      0.2415000       1.650000
  1 1 1     -30  -12   11 o    2.335000      0.6595000       2.912000 1.023000       1.759000      0.8325000       1.152000       1.319000
  1 1 1     -30  -12   12 o    5.763000      0.4945000       6.095000 0.6622000       5.430000      0.7346000      0.6654000      0.9891000
  1 1 1     -30  -12   13 o    7.604000      0.4089000       7.774000 0.5680000       7.435000      0.5884000      0.3389000      0.8178000
  1 1 1     -30  -12   14 o    5.974000      0.4865000       6.193000 0.6686000       5.756000      0.7068000      0.4372000      0.9729000
  1 1 1     -30  -12   15 o    7.501000      0.4205000       7.700000 0.5922000       7.302000      0.5971000      0.3977000      0.8410000
  1 1 1     -30  -12   16 o    2.446000      0.6995000       2.455000 0.9854000       2.437000      0.9930000      0.1799000E-01   1.399000
  1 1 1     -30  -12   17 f    6.917000      0.4476000       6.835000 0.6126000       6.999000      0.6528000     -0.1639000      0.8952000
  1 1 1     -30  -12   18 o    10.61000      0.3482000       10.80000 0.4910000       10.42000      0.4939000      0.3757000      0.6965000
  1 1 1     -30  -12   19 o    4.474000      0.6561000       4.129000 0.9787000       4.820000      0.8740000     -0.6916000       1.312000
  1 1 1     -30  -12   20 o    3.497000      0.7152000       3.958000 1.002000       3.037000       1.021000      0.9214000       1.430000
  1 1 1     -30  -12   21 o    5.391000      0.5436000       4.797000 0.8481000       5.984000      0.6802000      -1.187000       1.087000
  1 1 1     -30  -12   22 o    2.403000      0.6837000       2.517000 0.9848000       2.289000      0.9487000      0.2281000       1.367000
  1 1 1     -30  -11    1 o    2.462000      0.6332000       2.120000 0.8595000       2.804000      0.9299000     -0.6836000       1.266000
  1 1 1     -30  -11    2 o    9.510000      0.3050000       9.277000 0.4288000       9.744000      0.4339000     -0.4671000      0.6100000
  1 1 1     -30  -11    3 o    5.715000      0.4210000       5.109000 0.6431000       6.321000      0.5435000      -1.212000      0.8420000
  1 1 1     -30  -11    4 o    4.681000      0.5202000       4.372000 0.8007000       4.991000      0.6643000     -0.6196000       1.040000
  1 1 1     -30  -11    5 o    5.522000      0.4716000       4.864000 0.7232000       6.181000      0.6055000      -1.317000      0.9431000
  1 1 1     -30  -11    6 o    5.579000      0.4815000       4.565000 0.7699000       6.593000      0.5785000      -2.028000      0.9630000
  1 1 1     -30  -11    7 o    9.091000      0.4848000       8.128000 0.7267000       10.05000      0.6419000      -1.926000      0.9696000
  1 1 1     -30  -11    8 o    4.051000      0.6150000       4.997000 0.7244000       3.105000      0.9942000       1.892000       1.230000
  1 1 1     -30  -11    9 o    2.813000      0.7017000       2.662000 0.9839000       2.964000       1.001000     -0.3026000       1.403000
  1 1 1     -30  -11   10 o    3.833000      0.8444000       3.063000 1.178000       4.603000       1.210000      -1.540000       1.689000
  1 1 1     -30  -11   11 o    4.570000      0.6155000       4.356000 0.8895000       4.784000      0.8509000     -0.4277000       1.231000
  1 1 1     -30  -11   12 o    4.202000      0.6414000       3.260000 1.037000       5.144000      0.7553000      -1.884000       1.283000
  1 1 1     -30  -11   13 o    6.252000      0.4791000       6.794000 0.6224000       5.710000      0.7286000       1.083000      0.9583000
  1 1 1     -30  -11   14 o    4.238000      0.6373000       3.866000 0.9630000       4.611000      0.8352000     -0.7447000       1.275000
  1 1 1     -30  -11   15 o    9.696000      0.3501000       10.06000 0.4898000       9.334000      0.5003000      0.7237000      0.7002000
  1 1 1     -30  -11   16 o    5.135000      0.5601000       5.495000 0.6998000       4.776000      0.8747000      0.7189000       1.120000
  1 1 1     -30  -11   17 o    9.460000      0.3581000       9.427000 0.4964000       9.494000      0.5162000     -0.6713000E-01  0.7162000
  1 1 1     -30  -11   18 o    6.789000      0.4346000       6.817000 0.5914000       6.761000      0.6369000      0.5566000E-01  0.8691000
  1 1 1     -30  -11   19 o    2.647000      0.7070000       2.469000 0.9851000       2.825000       1.014000     -0.3555000       1.414000
  1 1 1     -30  -11   20 o    3.114000      0.6970000       3.614000 0.9844000       2.613000      0.9870000       1.001000       1.394000
  1 1 1     -30  -11   21 o    3.928000      0.6600000       3.537000 0.9949000       4.320000      0.8675000     -0.7835000       1.320000
  1 1 1     -30  -11   22 o    2.893000      0.6575000       2.049000 0.8963000       3.736000      0.9622000      -1.687000       1.315000
  1 1 1     -30  -10    1 o    2.734000      0.6320000       2.470000 0.8930000       2.998000      0.8946000     -0.5278000       1.264000
  1 1 1     -30  -10    2 o    12.33000      0.2853000       12.43000 0.4013000       12.24000      0.4057000      0.1857000      0.5706000
  1 1 1     -30  -10    3 o    4.596000      0.4961000       4.238000 0.7512000       4.954000      0.6481000     -0.7154000      0.9922000
  1 1 1     -30  -10    4 o    7.472000      0.3452000       7.300000 0.4981000       7.644000      0.4781000     -0.3440000      0.6904000
  1 1 1     -30  -10    5 o    3.171000      0.6461000       3.224000 0.9275000       3.117000      0.8998000      0.1073000       1.292000
  1 1 1     -30  -10    6 o    3.140000      0.6260000       2.304000 0.9128000       3.976000      0.8570000      -1.672000       1.252000
  1 1 1     -30  -10    7 o    10.27000      0.4375000       10.36000 0.6187000       10.18000      0.6189000      0.1802000      0.8751000
  1 1 1     -30  -10    8 o    3.480000      0.9514000       3.480000 0.9514000                  ?              ?              ?              ?
  1 1 1     -30  -10    9 o    2.921000      0.6755000       2.647000 0.9670000       3.195000      0.9434000     -0.5479000       1.351000
  1 1 1     -30  -10   10 o    2.986000       1.173000                  ?       ?   2.986000       1.173000                  ?              ?
  1 1 1     -30  -10   11 o    5.302000      0.5286000       5.709000 0.6859000       4.895000      0.8044000      0.8137000       1.057000
  1 1 1     -30  -10   12 o    5.077000      0.5367000       5.432000 0.7316000       4.722000      0.7855000      0.7102000       1.073000
  1 1 1     -30  -10   13 o    3.100000      0.7228000       2.961000 1.020000       3.239000       1.024000     -0.2789000       1.446000
  1 1 1     -30  -10   14 o    4.909000      0.5599000       4.936000 0.7972000       4.881000      0.7864000      0.5437000E-01   1.120000
  1 1 1     -30  -10   15 o    3.408000      0.6972000       3.446000 0.9887000       3.369000      0.9834000      0.7706000E-01   1.394000
  1 1 1     -30  -10   16 o    8.848000      0.3675000       8.649000 0.5181000       9.047000      0.5213000     -0.3984000      0.7350000
  1 1 1     -30  -10   17 o    3.450000      0.6968000       3.786000 0.9300000       3.114000       1.038000      0.6721000       1.394000
  1 1 1     -30  -10   18 o    5.631000      0.5066000       5.472000 0.7171000       5.790000      0.7157000     -0.3173000       1.013000
  1 1 1     -30  -10   19 o    2.098000      0.6446000       2.194000 0.9355000       2.002000      0.8872000      0.1926000       1.289000
  1 1 1     -30  -10   20 o    2.153000      0.6523000       2.229000 0.9440000       2.076000      0.9005000      0.1531000       1.305000
  1 1 1     -30  -10   21 o    4.054000      0.6445000       3.469000 0.9856000       4.639000      0.8306000      -1.170000       1.289000
  1 1 1     -30  -10   22 o    3.911000      0.6156000       5.148000 0.7395000       2.675000      0.9843000       2.473000       1.231000
  1 1 1     -30   -9    1 o    11.07000      0.2812000       11.16000 0.4007000       10.99000      0.3947000      0.1674000      0.5625000
  1 1 1     -30   -9    2 o    9.988000      0.2918000       10.09000 0.4117000       9.886000      0.4135000      0.2033000      0.5836000
  1 1 1     -30   -9    3 o    5.100000      0.4490000       5.318000 0.6173000       4.881000      0.6522000      0.4368000      0.8980000
  1 1 1     -30   -9    4 o    10.77000      0.2930000       10.64000 0.4227000       10.90000      0.4057000     -0.2615000      0.5859000
  1 1 1     -30   -9    5 o    7.470000      0.3469000       7.348000 0.5030000       7.592000      0.4779000     -0.2436000      0.6938000
  1 1 1     -30   -9    6 o    5.892000      0.4572000       4.830000 0.7436000       6.954000      0.5320000      -2.124000      0.9143000
  1 1 1     -30   -9    7 o    7.718000      0.4896000       7.866000 0.6949000       7.571000      0.6898000      0.2956000      0.9791000
  1 1 1     -30   -9    8 o    1.858000      0.8373000       1.858000 0.8373000                  ?              ?              ?              ?
  1 1 1     -30   -9    9 o    4.054000      0.6254000       4.249000 0.8632000       3.859000      0.9052000      0.3898000       1.251000
  1 1 1     -30   -9   10 o    4.510000       1.211000                  ?       ?   4.510000       1.211000                  ?              ?
  1 1 1     -30   -9   11 o    4.744000      0.5697000       5.309000 0.7089000       4.180000      0.8920000       1.129000       1.139000
  1 1 1     -30   -9   12 o    6.576000      0.4268000       6.230000 0.6442000       6.921000      0.5601000     -0.6914000      0.8537000
  1 1 1     -30   -9   13 o    6.318000      0.4531000       6.858000 0.6032000       5.778000      0.6764000       1.080000      0.9063000
  1 1 1     -30   -9   14 o    3.146000      0.6816000       3.748000 0.9408000       2.544000      0.9864000       1.204000       1.363000
  1 1 1     -30   -9   15 o    6.182000      0.4605000       6.253000 0.6254000       6.112000      0.6761000      0.1406000      0.9210000
  1 1 1     -30   -9   16 f    5.027000      0.5443000       4.723000 0.7972000       5.331000      0.7415000     -0.6078000       1.089000
  1 1 1     -30   -9   17 f    1.984000      0.6184000       1.817000 0.8319000       2.151000      0.9152000     -0.3346000       1.237000
  1 1 1     -30   -9   18 o    2.838000      0.6754000       3.374000 0.9638000       2.302000      0.9465000       1.072000       1.351000
  1 1 1     -30   -9   19 o    2.274000      0.6523000       2.662000 0.9873000       1.886000      0.8528000      0.7762000       1.305000
  1 1 1     -30   -9   20 o    4.307000      0.5987000       5.424000 0.7023000       3.190000      0.9698000       2.234000       1.197000
  1 1 1     -30   -9   21 o    4.878000      0.5555000       5.331000 0.7304000       4.424000      0.8371000      0.9065000       1.111000
  1 1 1     -30   -9   22 o    2.544000      0.6445000       3.041000 1.003000       2.047000      0.8103000      0.9939000       1.289000
  1 1 1     -30   -8    1 o    8.726000      0.3010000       8.985000 0.4264000       8.466000      0.4251000      0.5191000      0.6021000
  1 1 1     -30   -8    2 o    2.709000      0.6277000       2.638000 0.8933000       2.781000      0.8821000     -0.1434000       1.255000
  1 1 1     -30   -8    3 o    4.660000      0.4762000       4.121000 0.7449000       5.199000      0.5936000      -1.078000      0.9525000
  1 1 1     -30   -8    4 o    6.785000      0.3640000       6.072000 0.5652000       7.497000      0.4587000      -1.425000      0.7279000
  1 1 1     -30   -8    5 o    8.277000      0.3241000       7.975000 0.4666000       8.579000      0.4499000     -0.6038000      0.6482000
  1 1 1     -30   -8    6 o    4.750000      0.4639000       4.326000 0.6928000       5.174000      0.6172000     -0.8483000      0.9278000
  1 1 1     -30   -8    7 o    8.282000      0.4638000       7.737000 0.6897000       8.828000      0.6202000      -1.091000      0.9275000
  1 1 1     -30   -8    8 o    5.758000      0.4406000       5.594000 0.6530000       5.923000      0.5916000     -0.3288000      0.8812000
  1 1 1     -30   -8    9 o    2.981000      0.8208000       3.046000 1.169000       2.917000       1.152000      0.1293000       1.642000
  1 1 1     -30   -8   10 o    7.314000      0.5672000       6.439000 0.8367000       8.189000      0.7660000      -1.750000       1.134000
  1 1 1     -30   -8   11 o    2.356000      0.6528000       2.053000 0.8864000       2.660000      0.9585000     -0.6075000       1.306000
  1 1 1     -30   -8   12 o    8.226000      0.3580000       8.443000 0.5070000       8.010000      0.5056000      0.4327000      0.7160000
  1 1 1     -30   -8   13 o    4.032000      0.6288000       3.865000 0.9132000       4.198000      0.8645000     -0.3328000       1.258000
  1 1 1     -30   -8   14 o    7.420000      0.3792000       7.887000 0.5158000       6.953000      0.5561000      0.9340000      0.7585000
  1 1 1     -30   -8   15 o    7.912000      0.3651000       7.844000 0.5259000       7.980000      0.5066000     -0.1367000      0.7303000
  1 1 1     -30   -8   16 o    2.281000      0.6535000       2.599000 0.9781000       1.964000      0.8669000      0.6345000       1.307000
  1 1 1     -30   -8   17 o    3.064000      0.6494000       2.146000 0.9143000       3.982000      0.9224000      -1.836000       1.299000
  1 1 1     -30   -8   18 o    2.591000      0.6740000       2.079000 0.8985000       3.103000       1.005000      -1.024000       1.348000
  1 1 1     -30   -8   19 o    2.779000      0.6618000       2.179000 0.9198000       3.378000      0.9518000      -1.199000       1.324000
  1 1 1     -30   -8   20 o    1.925000      0.6080000       1.997000 0.8845000       1.853000      0.8346000      0.1440000       1.216000
  1 1 1     -30   -8   21 o    2.213000      0.6458000       2.022000 0.8811000       2.405000      0.9443000     -0.3835000       1.292000
  1 1 1     -30   -7    1 o    10.29000      0.2827000       10.38000 0.4016000       10.21000      0.3978000      0.1717000      0.5653000
  1 1 1     -30   -7    2 o    9.195000      0.2960000       9.348000 0.4141000       9.041000      0.4231000      0.3070000      0.5920000
  1 1 1     -30   -7    3 o    8.750000      0.3096000       8.367000 0.4472000       9.134000      0.4283000     -0.7673000      0.6192000
  1 1 1     -30   -7    4 o    11.52000      0.2906000       11.68000 0.4117000       11.35000      0.4103000      0.3277000      0.5812000
  1 1 1     -30   -7    5 f    11.17000      0.2973000       11.34000 0.4150000       11.01000      0.4257000      0.3282000      0.5945000
  1 1 1     -30   -7    6 o    4.320000      0.7126000       4.809000 0.9575000       3.832000       1.056000      0.9772000       1.425000
  1 1 1     -30   -7    7 o    7.338000      0.5133000       6.867000 0.7836000       7.810000      0.6631000     -0.9426000       1.027000
  1 1 1     -30   -7    8 o    6.567000      0.4099000       6.448000 0.5829000       6.687000      0.5765000     -0.2387000      0.8198000
  1 1 1     -30   -7    9 o    7.118000      0.5939000       6.822000 0.8550000       7.415000      0.8245000     -0.5929000       1.188000
  1 1 1     -30   -7   10 o    9.327000      0.3322000       8.977000 0.4819000       9.677000      0.4575000     -0.7000000      0.6645000
  1 1 1     -30   -7   11 o    7.907000      0.3586000       7.830000 0.5108000       7.985000      0.5036000     -0.1555000      0.7173000
  1 1 1     -30   -7   12 o    2.966000      0.6710000       3.464000 0.9546000       2.469000      0.9431000      0.9953000       1.342000
  1 1 1     -30   -7   13 o    5.167000      0.5024000       5.274000 0.6914000       5.061000      0.7292000      0.2131000       1.005000
  1 1 1     -30   -7   14 o    7.561000      0.3630000       7.475000 0.5152000       7.647000      0.5114000     -0.1721000      0.7259000
  1 1 1     -30   -7   15 o    10.00000      0.3178000       10.01000 0.4442000       9.996000      0.4546000      0.1724000E-01  0.6356000
  1 1 1     -30   -7   16 o    4.385000      0.5756000       4.564000 0.8024000       4.205000      0.8255000      0.3592000       1.151000
  1 1 1     -30   -7   17 o    5.231000      0.5199000       5.985000 0.6346000       4.476000      0.8237000       1.509000       1.040000
  1 1 1     -30   -7   18 o    7.344000      0.3926000       7.436000 0.5522000       7.253000      0.5582000      0.1831000      0.7852000
  1 1 1     -30   -7   19 o    3.708000      0.6528000       4.154000 0.8674000       3.262000      0.9758000      0.8922000       1.306000
  1 1 1     -30   -7   20 o    2.394000      0.6661000       2.526000 0.9589000       2.263000      0.9249000      0.2630000       1.332000
  1 1 1     -30   -7   21 o    2.529000      0.6323000       1.814000 0.8219000       3.244000      0.9612000      -1.430000       1.265000
  1 1 1     -30   -6    1 o    13.36000      0.2810000       13.43000 0.3964000       13.30000      0.3985000      0.1352000      0.5621000
  1 1 1     -30   -6    2 o    5.761000      0.3938000       5.859000 0.5365000       5.663000      0.5767000      0.1961000      0.7876000
  1 1 1     -30   -6    3 o    3.073000      0.6143000       3.473000 0.8220000       2.674000      0.9131000      0.7990000       1.229000
  1 1 1     -30   -6    4 o    9.337000      0.3071000       9.083000 0.4419000       9.591000      0.4265000     -0.5077000      0.6141000
  1 1 1     -30   -6    5 o    6.416000      0.3781000       6.697000 0.5152000       6.134000      0.5534000      0.5627000      0.7562000
  1 1 1     -30   -6    6 o    7.654000      0.4506000       7.265000 0.6788000       8.042000      0.5928000     -0.7774000      0.9012000
  1 1 1     -30   -6    7 o    2.221000      0.5690000       1.345000 0.6570000       3.097000      0.9293000      -1.752000       1.138000
  1 1 1     -30   -6    8 o    3.094000      0.6609000       3.541000 0.9131000       2.648000      0.9556000      0.8935000       1.322000
  1 1 1     -30   -6    9 o    9.674000      0.6393000       9.674000 0.6393000                  ?              ?              ?              ?
  1 1 1     -30   -6   10 o    7.646000      0.3537000       7.485000 0.5007000       7.807000      0.4996000     -0.3224000      0.7073000
  1 1 1     -30   -6   11 o    3.076000      0.9747000                  ?       ?   3.076000      0.9747000                  ?              ?
  1 1 1     -30   -6   12 o    3.054000      0.6834000       3.137000 0.9598000       2.970000      0.9730000      0.1674000       1.367000
  1 1 1     -30   -6   13 o    11.91000      0.3057000       12.11000 0.4318000       11.71000      0.4329000      0.3984000      0.6114000
  1 1 1     -30   -6   14 o    9.246000      0.3311000       9.441000 0.4642000       9.051000      0.4722000      0.3904000      0.6622000
  1 1 1     -30   -6   15 o    7.133000      0.3857000       7.016000 0.5345000       7.251000      0.5562000     -0.2345000      0.7714000
  1 1 1     -30   -6   16 o    7.433000      0.3860000       7.823000 0.5082000       7.043000      0.5811000      0.7799000      0.7720000
  1 1 1     -30   -6   17 o    1.786000      0.5787000       1.921000 0.8542000       1.651000      0.7811000      0.2698000       1.157000
  1 1 1     -30   -6   18 o    6.541000      0.3928000       6.748000 0.5411000       6.334000      0.5697000      0.4144000      0.7857000
  1 1 1     -30   -6   19 o    2.771000      0.6808000       2.612000 0.9567000       2.929000      0.9688000     -0.3170000       1.362000
  1 1 1     -30   -6   20 o    4.040000      0.6332000       4.227000 0.8732000       3.853000      0.9172000      0.3742000       1.266000
  1 1 1     -30   -6   21 o    2.004000      0.6525000       2.099000 0.9490000       1.909000      0.8957000      0.1901000       1.305000
  1 1 1     -30   -5    1 o    9.271000      0.2912000       9.573000 0.3981000       8.969000      0.4251000      0.6034000      0.5824000
  1 1 1     -30   -5    2 o    6.584000      0.3467000       6.898000 0.4724000       6.270000      0.5075000      0.6276000      0.6933000
  1 1 1     -30   -5    3 o    1.755000      0.5353000       2.231000 0.8649000       1.280000      0.6309000      0.9510000       1.071000
  1 1 1     -30   -5    4 o    7.477000      0.3427000       6.894000 0.5033000       8.060000      0.4653000      -1.166000      0.6854000
  1 1 1     -30   -5    5 o    3.213000      0.5803000       3.750000 0.7144000       2.677000      0.9146000       1.073000       1.161000
  1 1 1     -30   -5    6 o    13.32000      0.4013000       12.83000 0.5705000       13.82000      0.5647000     -0.9873000      0.8027000
  1 1 1     -30   -5    7 o    2.860000      0.6550000       2.670000 0.9317000       3.049000      0.9210000     -0.3786000       1.310000
  1 1 1     -30   -5    8 o    6.784000      0.5929000       7.400000 0.7601000       6.168000      0.9100000       1.232000       1.186000
  1 1 1     -30   -5    9 o    5.422000      0.9833000       5.422000 0.9833000                  ?              ?              ?              ?
  1 1 1     -30   -5   10 o    2.927000      0.6467000       3.495000 0.9110000       2.360000      0.9183000       1.136000       1.293000
  1 1 1     -30   -5   11 o    4.863000      0.7089000                  ?       ?   4.863000      0.7089000                  ?              ?
  1 1 1     -30   -5   12 o    2.040000      0.6167000       2.313000 0.9343000       1.767000      0.8053000      0.5459000       1.233000
  1 1 1     -30   -5   13 o    7.758000      0.3642000       7.801000 0.5235000       7.714000      0.5064000      0.8742000E-01  0.7283000
  1 1 1     -30   -5   14 o    6.329000      0.4193000       6.336000 0.5961000       6.321000      0.5898000      0.1470000E-01  0.8386000
  1 1 1     -30   -5   15 o    4.124000      0.6139000       4.437000 0.8058000       3.811000      0.9263000      0.6254000       1.228000
  1 1 1     -30   -5   16 f    7.392000      0.3782000       7.364000 0.5185000       7.420000      0.5508000     -0.5594000E-01  0.7564000
  1 1 1     -30   -5   17 o    2.686000      0.6662000       3.093000 0.9567000       2.280000      0.9275000      0.8134000       1.332000
  1 1 1     -30   -5   18 o    3.847000      0.6507000       3.833000 0.9120000       3.861000      0.9284000     -0.2801000E-01   1.301000
  1 1 1     -30   -5   19 o    6.648000      0.4156000       6.055000 0.6193000       7.242000      0.5543000      -1.187000      0.8312000
  1 1 1     -30   -5   20 o    4.031000      0.5943000       4.854000 0.7046000       3.207000      0.9571000       1.647000       1.189000
  1 1 1     -30   -4    1 o    6.046000      0.3527000       5.927000 0.5167000       6.164000      0.4802000     -0.2366000      0.7054000
  1 1 1     -30   -4    2 o    6.206000      0.3593000       6.447000 0.4942000       5.966000      0.5217000      0.4809000      0.7186000
  1 1 1     -30   -4    3 o    3.430000      0.5978000       3.287000 0.8477000       3.572000      0.8432000     -0.2851000       1.196000
  1 1 1     -30   -4    4 o    7.354000      0.3362000       7.393000 0.4678000       7.315000      0.4829000      0.7748000E-01  0.6723000
  1 1 1     -30   -4    5 o    4.537000      0.6432000       3.549000 1.060000       5.526000      0.7280000      -1.976000       1.286000
  1 1 1     -30   -4    6 o    10.17000      0.3010000       10.26000 0.4332000       10.07000      0.4180000      0.1871000      0.6020000
  1 1 1     -30   -4    7 o    6.492000      0.3835000       6.415000 0.5542000       6.568000      0.5303000     -0.1528000      0.7671000
  1 1 1     -30   -4    8 o    9.729000      0.4631000       9.090000 0.6618000       10.37000      0.6481000      -1.277000      0.9263000
  1 1 1     -30   -4    9 o    3.075000      0.6377000       3.690000 0.8843000       2.460000      0.9190000       1.230000       1.275000
  1 1 1     -30   -4   10 o    4.114000      0.5819000       3.751000 0.8798000       4.476000      0.7619000     -0.7253000       1.164000
  1 1 1     -30   -4   11 o    8.722000      0.3430000       8.798000 0.4868000       8.646000      0.4834000      0.1527000      0.6861000
  1 1 1     -30   -4   12 o    5.303000      0.4901000       4.852000 0.7652000       5.755000      0.6125000     -0.9036000      0.9802000
  1 1 1     -30   -4   13 o    5.457000      0.4632000       4.938000 0.7573000       5.977000      0.5337000      -1.039000      0.9265000
  1 1 1     -30   -4   14 o    2.950000      0.6549000       3.108000 0.9399000       2.792000      0.9121000      0.3159000       1.310000
  1 1 1     -30   -4   15 f    5.968000      0.4078000       5.753000 0.6003000       6.184000      0.5521000     -0.4304000      0.8156000
  1 1 1     -30   -4   16 o    1.987000      0.6000000       1.927000 0.8329000       2.047000      0.8638000     -0.1205000       1.200000
  1 1 1     -30   -4   17 o    4.148000      0.5537000       4.335000 0.7656000       3.962000      0.8002000      0.3727000       1.107000
  1 1 1     -30   -4   18 o    3.718000      0.5998000       3.133000 0.9335000       4.302000      0.7534000      -1.169000       1.200000
  1 1 1     -30   -4   19 o    6.149000      0.4174000       6.203000 0.6042000       6.095000      0.5760000      0.1086000      0.8347000
  1 1 1     -30   -4   20 o    3.564000      0.7034000       2.477000 1.046000       4.651000      0.9403000      -2.174000       1.407000
  1 1 1     -30   -3    1 o    3.385000      0.5613000       2.734000 0.8581000       4.036000      0.7239000      -1.302000       1.123000
  1 1 1     -30   -3    2 o    4.901000      0.4386000       4.796000 0.6307000       5.007000      0.6096000     -0.2107000      0.8772000
  1 1 1     -30   -3    3 o    6.697000      0.3475000       6.680000 0.4862000       6.713000      0.4965000     -0.3238000E-01  0.6949000
  1 1 1     -30   -3    4 o    8.315000      0.3656000       8.878000 0.5822000       7.752000      0.4423000       1.126000      0.7312000
  1 1 1     -30   -3    5 o    6.157000      0.4989000       5.946000 0.7216000       6.367000      0.6893000     -0.4203000      0.9979000
  1 1 1     -30   -3    6 o    4.428000      0.5025000       4.869000 0.6706000       3.988000      0.7487000      0.8811000       1.005000
  1 1 1     -30   -3    7 o    2.441000      0.7333000       2.404000 1.033000       2.479000       1.041000     -0.7524000E-01   1.467000
  1 1 1     -30   -3    8 o    6.442000      0.6215000       5.085000 1.006000       7.799000      0.7297000      -2.714000       1.243000
  1 1 1     -30   -3    9 o    2.607000      0.6366000       2.868000 0.9232000       2.346000      0.8769000      0.5221000       1.273000
  1 1 1     -30   -3   10 o    1.844000      0.5823000       1.738000 0.7969000       1.950000      0.8494000     -0.2117000       1.165000
  1 1 1     -30   -3   11 o    4.931000      0.5162000       5.257000 0.6686000       4.604000      0.7865000      0.6530000       1.032000
  1 1 1     -30   -3   12 o    7.101000      0.3795000       7.208000 0.5530000       6.995000      0.5200000      0.2131000      0.7591000
  1 1 1     -30   -3   13 o    8.024000      0.3387000       8.657000 0.4796000       7.391000      0.4785000       1.266000      0.6775000
  1 1 1     -30   -3   14 o    5.056000      0.4632000       4.952000 0.6795000       5.161000      0.6296000     -0.2086000      0.9264000
  1 1 1     -30   -3   15 o    4.821000      0.5061000       3.881000 0.8087000       5.761000      0.6087000      -1.881000       1.012000
  1 1 1     -30   -3   16 o    2.662000      0.6543000       2.181000 0.8983000       3.144000      0.9515000     -0.9633000       1.309000
  1 1 1     -30   -3   17 o    4.127000      0.6062000       3.540000 0.9329000       4.714000      0.7744000      -1.173000       1.212000
  1 1 1     -30   -3   18 o    2.502000      0.6617000       2.700000 0.9573000       2.304000      0.9139000      0.3961000       1.323000
  1 1 1     -30   -3   19 o    6.138000      0.4332000       5.503000 0.6774000       6.774000      0.5402000      -1.271000      0.8665000
  1 1 1     -30   -2    1 o    5.398000      0.3987000       6.071000 0.5078000       4.725000      0.6147000       1.346000      0.7974000
  1 1 1     -30   -2    2 o    3.390000      0.5718000       3.225000 0.8253000       3.556000      0.7916000     -0.3313000       1.144000
  1 1 1     -30   -2    3 o    5.429000      0.3967000       5.724000 0.5525000       5.134000      0.5693000      0.5895000      0.7933000
  1 1 1     -30   -2    4 o    6.922000      0.4593000       7.762000 0.6188000       6.083000      0.6789000       1.679000      0.9185000
  1 1 1     -30   -2    5 o    5.603000      0.3957000       6.114000 0.5055000       5.093000      0.6089000       1.021000      0.7913000
  1 1 1     -30   -2    6 o    2.629000      0.6392000       2.724000 0.9198000       2.534000      0.8878000      0.1904000       1.278000
  1 1 1     -30   -2    7 f    2.795000      0.7542000       3.227000 1.107000       2.363000       1.025000      0.8633000       1.508000
  1 1 1     -30   -2    8 o    10.01000      0.3078000       9.916000 0.4404000       10.11000      0.4301000     -0.1966000      0.6156000
  1 1 1     -30   -2    9 o    6.738000      0.3629000       6.817000 0.5122000       6.660000      0.5143000      0.1573000      0.7258000
  1 1 1     -30   -2   10 o    2.525000      0.9393000       2.525000 0.9393000                  ?              ?              ?              ?
  1 1 1     -30   -2   11 o    2.209000      0.6430000       2.035000 0.8783000       2.383000      0.9394000     -0.3484000       1.286000
  1 1 1     -30   -2   12 o    7.597000      0.4687000                  ?       ?   7.597000      0.4687000                  ?              ?
  1 1 1     -30   -2   13 o    3.723000      0.5798000       3.940000 0.7806000       3.505000      0.8575000      0.4357000       1.160000
  1 1 1     -30   -2   14 o    7.549000      0.3560000       7.533000 0.5113000       7.565000      0.4954000     -0.3241000E-01  0.7119000
  1 1 1     -30   -2   15 o    7.419000      0.3717000       7.435000 0.5262000       7.403000      0.5251000      0.3141000E-01  0.7434000
  1 1 1     -30   -2   16 o    2.570000      0.6509000       2.224000 0.8841000       2.916000      0.9554000     -0.6925000       1.302000
  1 1 1     -30   -2   17 o    3.308000      0.6445000       3.566000 0.9229000       3.050000      0.9000000      0.5161000       1.289000
  1 1 1     -30   -2   18 o    4.744000      0.4975000       5.333000 0.6407000       4.155000      0.7614000       1.178000      0.9951000
  1 1 1     -30   -1    1 o    7.726000      0.3068000       7.957000 0.4364000       7.494000      0.4314000      0.4625000      0.6137000
  1 1 1     -30   -1    2 o    9.052000      0.2942000       8.767000 0.4226000       9.337000      0.4095000     -0.5702000      0.5884000
  1 1 1     -30   -1    3 o    7.834000      0.4072000       7.581000 0.6036000       8.087000      0.5468000     -0.5058000      0.8145000
  1 1 1     -30   -1    4 f    2.356000      0.6349000       2.358000 0.8601000       2.355000      0.9341000      0.2688000E-02   1.270000
  1 1 1     -30   -1    5 o    6.452000      0.3545000       6.599000 0.5006000       6.305000      0.5020000      0.2944000      0.7090000
  1 1 1     -30   -1    6 o    4.440000      0.7480000       5.176000 0.9431000       3.703000       1.161000       1.473000       1.496000
  1 1 1     -30   -1    7 o    8.553000      0.3119000       8.403000 0.4586000       8.703000      0.4228000     -0.3001000      0.6238000
  1 1 1     -30   -1    8 o    12.65000      0.2872000       12.62000 0.4050000       12.69000      0.4072000     -0.6454000E-01  0.5743000
  1 1 1     -30   -1    9 o    6.779000      0.3598000       6.357000 0.5410000       7.201000      0.4743000     -0.8433000      0.7195000
  1 1 1     -30   -1   10 o    3.924000      0.8399000       3.924000 0.8399000                  ?              ?              ?              ?
  1 1 1     -30   -1   11 o    5.488000      0.4051000       5.758000 0.5580000       5.218000      0.5873000      0.5400000      0.8101000
  1 1 1     -30   -1   12 o    5.939000      0.5738000                  ?       ?   5.939000      0.5738000                  ?              ?
  1 1 1     -30   -1   13 o    2.889000      0.6612000       2.534000 0.9357000       3.244000      0.9346000     -0.7100000       1.322000
  1 1 1     -30   -1   14 o    7.785000      0.3359000       8.110000 0.4704000       7.459000      0.4796000      0.6510000      0.6717000
  1 1 1     -30   -1   15 o    6.102000      0.3989000       6.026000 0.5700000       6.179000      0.5581000     -0.1533000      0.7977000
  1 1 1     -30   -1   16 o    2.567000      0.6346000       2.426000 0.8745000       2.709000      0.9198000     -0.2829000       1.269000
  1 1 1     -30   -1   17 o    6.700000      0.3976000       7.379000 0.5273000       6.021000      0.5952000       1.358000      0.7952000
  1 1 1     -30    0    1 o    2.085000      0.5810000       2.428000 0.8422000       1.743000      0.8006000      0.6852000       1.162000
  1 1 1     -30    0    2 o    7.843000      0.5088000       8.211000 0.5753000       7.474000      0.8393000      0.7366000       1.018000
  1 1 1     -30    0    3 o    6.951000      0.6809000       6.951000 0.6809000                  ?              ?              ?              ?
  1 1 1     -30    0    4 o    4.599000      0.4382000       5.263000 0.5662000       3.935000      0.6689000       1.328000      0.8763000
  1 1 1     -30    0    5 o    7.135000      0.4957000       6.689000 0.7091000       7.582000      0.6929000     -0.8930000      0.9914000
  1 1 1     -30    0    6 o    9.925000      0.4214000       9.704000 0.5724000       10.14000      0.6185000     -0.4406000      0.8427000
  1 1 1     -30    0    7 o    12.21000      0.2794000       12.73000 0.4007000       11.69000      0.3895000       1.043000      0.5588000
  1 1 1     -30    0    8 f    4.172000      0.5494000       4.127000 0.7906000       4.218000      0.7631000     -0.9093000E-01   1.099000
  1 1 1     -30    0    9 o    9.430000      0.2920000       9.350000 0.4085000       9.509000      0.4175000     -0.1589000      0.5841000
  1 1 1     -30    0   10 o    8.526000      0.3265000       8.795000 0.4452000       8.257000      0.4776000      0.5375000      0.6529000
  1 1 1     -30    0   11 o    3.700000      0.5664000       3.332000 0.8497000       4.067000      0.7493000     -0.7349000       1.133000
  1 1 1     -30    0   12 o    7.131000      0.3554000       6.691000 0.5346000       7.571000      0.4684000     -0.8800000      0.7108000
  1 1 1     -30    0   13 o    7.920000      0.3444000       7.774000 0.5095000       8.065000      0.4636000     -0.2919000      0.6888000
  1 1 1     -30    0   14 o    6.591000      0.3593000       7.258000 0.4862000       5.923000      0.5292000       1.335000      0.7186000
  1 1 1     -30    0   15 o    2.209000      0.6280000       2.242000 0.8984000       2.177000      0.8778000      0.6458000E-01   1.256000
  1 1 1     -30    0   16 o    3.752000      0.6286000       4.319000 0.8238000       3.186000      0.9497000       1.133000       1.257000
  1 1 1     -30    1    1 o    6.558000      0.4264000       6.783000 0.6476000       6.334000      0.5547000      0.4495000      0.8527000
  1 1 1     -30    1    2 o    7.586000      0.5013000       7.820000 0.6095000       7.352000      0.7961000      0.4675000       1.003000
  1 1 1     -30    1    3 o    5.134000      0.4472000       4.779000 0.6226000       5.489000      0.6420000     -0.7096000      0.8943000
  1 1 1     -30    1    4 f    4.379000      0.6076000       4.205000 0.5789000       4.554000       1.068000     -0.3497000       1.215000
  1 1 1     -30    1    5 o    5.641000      0.5615000       5.826000 0.7567000       5.457000      0.8297000      0.3686000       1.123000
  1 1 1     -30    1    6 o    8.005000      0.3348000       7.972000 0.4310000       8.038000      0.5124000     -0.6607000E-01  0.6696000
  1 1 1     -30    1    7 o    4.548000      0.5130000       4.579000 0.6655000       4.518000      0.7809000      0.6123000E-01   1.026000
  1 1 1     -30    1    8 o    9.183000      0.3752000       9.164000 0.4197000       9.202000      0.6220000     -0.3842000E-01  0.7504000
  1 1 1     -30    1    9 o    5.644000      0.4050000       5.267000 0.5814000       6.021000      0.5641000     -0.7538000      0.8101000
  1 1 1     -30    1   10 o    9.645000      0.2978000       9.765000 0.4208000       9.526000      0.4215000      0.2389000      0.5955000
  1 1 1     -30    1   11 o    3.153000      0.6458000       3.135000 0.9025000       3.170000      0.9238000     -0.3449000E-01   1.292000
  1 1 1     -30    1   12 o    4.811000      0.4844000       4.024000 0.7927000       5.598000      0.5568000      -1.574000      0.9687000
  1 1 1     -30    1   13 o    4.533000      0.5010000       4.265000 0.7715000       4.802000      0.6394000     -0.5374000       1.002000
  1 1 1     -30    1   14 o    3.936000      0.5578000       3.088000 0.9166000       4.783000      0.6360000      -1.695000       1.116000
  1 1 1     -30    1   15 o    3.287000      0.6184000       2.906000 0.9239000       3.668000      0.8223000     -0.7616000       1.237000
  1 1 1     -30    2    1 o    6.024000      0.5854000       6.270000 0.6572000       5.777000      0.9689000      0.4922000       1.171000
  1 1 1     -30    2    2 o    2.189000      0.6020000       1.604000 0.7280000       2.774000      0.9589000      -1.170000       1.204000
  1 1 1     -30    2    3 o    1.645000      0.5366000       1.155000 0.5751000       2.135000      0.9060000     -0.9792000       1.073000
  1 1 1     -30    2    4 o    6.999000      0.4700000       6.574000 0.6557000       7.425000      0.6734000     -0.8505000      0.9399000
  1 1 1     -30    2    5 o    6.497000      0.5459000       7.465000 0.4512000       5.529000      0.9942000       1.936000       1.092000
  1 1 1     -30    2    6 o    6.182000      0.3851000       6.406000 0.4741000       5.958000      0.6069000      0.4473000      0.7701000
  1 1 1     -30    2    7 o    3.231000      0.6341000       3.264000 0.8172000       3.198000      0.9699000      0.6598000E-01   1.268000
  1 1 1     -30    2    8 o    2.183000      0.6069000       1.865000 0.8011000       2.502000      0.9119000     -0.6367000       1.214000
  1 1 1     -30    2    9 o    5.822000      0.4078000       6.009000 0.5333000       5.634000      0.6171000      0.3749000      0.8156000
  1 1 1     -30    2   10 o    8.246000      0.3207000       8.536000 0.4170000       7.957000      0.4874000      0.5795000      0.6414000
  1 1 1     -30    2   11 o    3.209000      0.6083000       1.929000 0.8320000       4.489000      0.8876000      -2.560000       1.217000
  1 1 1     -30    2   12 o    2.398000      0.6288000       2.292000 0.8703000       2.504000      0.9077000     -0.2117000       1.258000
  1 1 1     -30    2   13 o    2.853000      0.6956000       3.261000 1.059000       2.445000      0.9026000      0.8157000       1.391000
  1 1 1     -30    2   14 o    3.780000      0.5377000       4.093000 0.7290000       3.467000      0.7906000      0.6262000       1.075000
  1 1 1     -30    3    1 o    2.257000      0.5990000       2.502000 0.8441000       2.012000      0.8502000      0.4897000       1.198000
  1 1 1     -30    3    2 o    3.204000      0.6367000       3.102000 0.8538000       3.305000      0.9448000     -0.2031000       1.273000
  1 1 1     -30    3    3 o    2.991000      0.7382000       2.757000 1.000000       3.225000       1.086000     -0.4686000       1.476000
  1 1 1     -30    3    4 o    2.956000      0.6404000       2.746000 0.8742000       3.167000      0.9360000     -0.4202000       1.281000
  1 1 1     -30    3    5 o    2.464000      0.6355000       2.347000 0.8591000       2.580000      0.9368000     -0.2324000       1.271000
  1 1 1     -30    3    6 o    1.980000      0.5884000       1.530000 0.7109000       2.429000      0.9378000     -0.8986000       1.177000
  1 1 1     -30    3    7 o    3.633000      0.5858000       3.421000 0.7821000       3.844000      0.8724000     -0.4230000       1.172000
  1 1 1     -30    3    8 o    7.295000      0.3380000       7.554000 0.4588000       7.036000      0.4963000      0.5180000      0.6759000
  1 1 1     -30    3    9 o    3.311000      0.6205000       3.199000 0.8826000       3.423000      0.8723000     -0.2239000       1.241000
  1 1 1     -30    3   10 o    1.899000      0.5783000       1.986000 0.8233000       1.813000      0.8125000      0.1734000       1.157000
  1 1 1     -30    3   11 o    2.343000      0.8649000       2.343000 0.8649000                  ?              ?              ?              ?
  1 1 1     -30    3   12 o    2.360000      0.6182000       2.023000 0.8344000       2.697000      0.9124000     -0.6741000       1.236000
  1 1 1     -30    3   13 o    3.420000      0.8990000                  ?       ?   3.420000      0.8990000                  ?              ?
  1 1 1     -30    4    1 o    1.842000      0.5382000       2.133000 0.7864000       1.551000      0.7350000      0.5812000       1.076000
  1 1 1     -30    4    2 o    2.986000      0.7332000       2.410000 0.9856000       3.561000       1.086000      -1.151000       1.466000
  1 1 1     -30    4    3 f    4.362000      0.4906000       3.646000 0.7486000       5.079000      0.6344000      -1.433000      0.9813000
  1 1 1     -30    4    4 o    4.595000      0.4885000       4.194000 0.7091000       4.996000      0.6720000     -0.8026000      0.9769000
  1 1 1     -30    4    5 o    2.963000      0.6151000       2.965000 0.8334000       2.961000      0.9050000      0.4699000E-02   1.230000
  1 1 1     -30    4    6 o    3.308000      0.6055000       3.830000 0.7369000       2.787000      0.9609000       1.043000       1.211000
  1 1 1     -30    4    7 o    6.176000      0.3854000       6.211000 0.4919000       6.141000      0.5933000      0.7018000E-01  0.7707000
  1 1 1     -30    4    8 o    5.441000      0.4342000       5.419000 0.5972000       5.463000      0.6303000     -0.4477000E-01  0.8683000
  1 1 1     -30    4    9 o    2.504000      0.6163000       2.810000 0.8713000       2.197000      0.8718000      0.6133000       1.233000
  1 1 1     -30    4   10 o    1.788000      0.5601000       1.458000 0.6924000       2.119000      0.8805000     -0.6615000       1.120000
  1 1 1     -30    4   11 o    2.967000      0.6582000       3.040000 0.9242000       2.895000      0.9374000      0.1455000       1.316000
  1 1 1     -30    5    1 o    2.741000      0.7366000       2.851000 1.034000       2.630000       1.050000      0.2206000       1.473000
  1 1 1     -30    5    2 o    2.009000      0.5866000       2.134000 0.8271000       1.884000      0.8322000      0.2502000       1.173000
  1 1 1     -30    5    3 o    2.186000      0.5631000       1.292000 0.6239000       3.080000      0.9376000      -1.789000       1.126000
  1 1 1     -30    5    4 o    1.942000      0.5814000       1.719000 0.7686000       2.166000      0.8726000     -0.4475000       1.163000
  1 1 1     -30    5    5 o    5.341000      0.4184000       5.408000 0.5646000       5.273000      0.6176000      0.1351000      0.8368000
  1 1 1     -30    5    6 o    2.916000      0.6463000       3.022000 0.8841000       2.811000      0.9429000      0.2104000       1.293000
  1 1 1     -30    5    7 f    2.551000      0.5802000       3.123000 0.8016000       1.980000      0.8392000       1.143000       1.160000
  1 1 1     -30    5    8 f    1.847000      0.5588000       1.479000 0.6918000       2.215000      0.8776000     -0.7359000       1.118000
  1 1 1     -30    5    9 o    2.264000      0.6258000       2.409000 0.9013000       2.120000      0.8683000      0.2892000       1.252000
  1 1 1     -30    6    1 f    5.424000      0.4344000       6.139000 0.5213000       4.709000      0.6950000       1.430000      0.8688000
  1 1 1     -30    6    2 o    1.924000      0.5749000       1.758000 0.7606000       2.091000      0.8624000     -0.3329000       1.150000
  1 1 1     -30    6    3 o    2.654000      0.6051000       3.031000 0.8090000       2.276000      0.8999000      0.7559000       1.210000
  1 1 1     -30    6    4 o    2.379000      0.5944000       2.983000 0.8749000       1.775000      0.8049000       1.207000       1.189000
  1 1 1     -30    6    5 o    3.811000      0.5566000       4.358000 0.6536000       3.264000      0.9012000       1.095000       1.113000
  1 1 1     -30    6    6 o    2.244000      0.6576000       2.731000 1.042000       1.757000      0.8026000      0.9739000       1.315000
  1 1 1     -29  -33    1 o    2.933000      0.7408000       2.963000 1.019000       2.903000       1.076000      0.6000000E-01   1.482000
  1 1 1     -29  -33    2 o    3.108000      0.9960000       3.108000 0.9960000                  ?              ?              ?              ?
  1 1 1     -29  -33    3 o    2.122000      0.6559000       2.203000 0.9278000       2.040000      0.9273000      0.1633000       1.312000
  1 1 1     -29  -33    4 o    2.794000       1.052000                  ?       ?   2.794000       1.052000                  ?              ?
  1 1 1     -29  -33    5 o    2.776000      0.6933000       1.904000 0.8636000       3.648000       1.085000      -1.744000       1.387000
  1 1 1     -29  -33    6 o    2.356000       1.076000       2.356000 1.076000                  ?              ?              ?              ?
  1 1 1     -29  -32    1 o    2.681000      0.7137000       2.210000 0.9220000       3.152000       1.090000     -0.9425000       1.427000
  1 1 1     -29  -32    2 o    2.422000      0.6673000       2.775000 0.9680000       2.069000      0.9188000      0.7060000       1.335000
  1 1 1     -29  -32    3 o    2.842000      0.6990000       3.099000 0.9645000       2.586000       1.012000      0.5132000       1.398000
  1 1 1     -29  -32    4 o    2.242000      0.6462000       1.603000 0.7740000       2.882000       1.035000      -1.279000       1.292000
  1 1 1     -29  -32    5 o    2.192000      0.6645000       2.194000 0.9255000       2.191000      0.9538000      0.3284000E-02   1.329000
  1 1 1     -29  -32    6 o    2.333000      0.6772000       2.687000 1.026000       1.979000      0.8837000      0.7085000       1.354000
  1 1 1     -29  -32    7 o    4.007000      0.6790000       3.072000 0.9967000       4.941000      0.9222000      -1.869000       1.358000
  1 1 1     -29  -32    8 o    3.898000      0.6889000       4.556000 0.8900000       3.239000       1.052000       1.317000       1.378000
  1 1 1     -29  -32    9 o    2.502000      0.7927000       2.844000 1.212000       2.161000       1.022000      0.6833000       1.585000
  1 1 1     -29  -31    1 o    3.559000      0.6896000       3.853000 0.9094000       3.265000       1.037000      0.5880000       1.379000
  1 1 1     -29  -31    2 o    2.334000      0.6814000       2.142000 0.9011000       2.526000       1.023000     -0.3838000       1.363000
  1 1 1     -29  -31    3 o    2.718000      0.6783000       3.397000 1.017000       2.039000      0.8979000       1.359000       1.357000
  1 1 1     -29  -31    4 o    3.243000      0.7228000       3.640000 0.9690000       2.845000       1.073000      0.7942000       1.446000
  1 1 1     -29  -31    5 o    3.207000      0.7166000       2.827000 1.012000       3.587000       1.015000     -0.7597000       1.433000
  1 1 1     -29  -31    6 f    5.156000      0.5882000       4.225000 0.9552000       6.087000      0.6866000      -1.862000       1.176000
  1 1 1     -29  -31    7 f    3.638000      0.6705000       2.668000 0.9846000       4.607000      0.9105000      -1.940000       1.341000
  1 1 1     -29  -31    8 o    2.980000      0.7395000       2.673000 1.007000       3.287000       1.084000     -0.6144000       1.479000
  1 1 1     -29  -31    9 o    2.823000      0.7194000       2.534000 0.9715000       3.112000       1.061000     -0.5785000       1.439000
  1 1 1     -29  -31   10 o    2.597000      0.7184000       2.997000 1.062000       2.197000      0.9672000      0.8003000       1.437000
  1 1 1     -29  -31   11 o    2.542000      0.6874000       2.017000 0.8988000       3.066000       1.040000      -1.048000       1.375000
  1 1 1     -29  -30    1 o    2.129000      0.6460000       2.228000 0.9176000       2.030000      0.9096000      0.1975000       1.292000
  1 1 1     -29  -30    2 o    1.984000      0.6270000       1.745000 0.8004000       2.223000      0.9653000     -0.4788000       1.254000
  1 1 1     -29  -30    3 o    3.806000      0.6048000       3.273000 0.9598000       4.340000      0.7360000      -1.067000       1.210000
  1 1 1     -29  -30    4 o    2.457000      0.7006000       2.379000 0.9660000       2.534000       1.015000     -0.1554000       1.401000
  1 1 1     -29  -30    5 o    3.410000      0.7068000       3.546000 0.8953000       3.273000       1.094000      0.2730000       1.414000
  1 1 1     -29  -30    6 o    4.941000      0.6115000       4.822000 0.8583000       5.061000      0.8711000     -0.2392000       1.223000
  1 1 1     -29  -30    7 o    5.184000      0.5931000       5.551000 0.7408000       4.817000      0.9264000      0.7338000       1.186000
  1 1 1     -29  -30    8 o    1.987000      0.6288000       2.127000 0.9255000       1.847000      0.8515000      0.2799000       1.258000
  1 1 1     -29  -30    9 o    2.204000      0.6587000       2.471000 0.9578000       1.936000      0.9045000      0.5350000       1.317000
  1 1 1     -29  -30   10 o    4.508000      0.6358000       3.895000 0.9589000       5.121000      0.8352000      -1.226000       1.272000
  1 1 1     -29  -30   11 o    3.222000      0.7525000       3.188000 1.054000       3.255000       1.074000     -0.6714000E-01   1.505000
  1 1 1     -29  -30   12 f    4.127000      0.6758000       4.112000 0.8794000       4.142000       1.026000     -0.3077000E-01   1.352000
  1 1 1     -29  -30   13 o    2.472000      0.7170000       2.100000 0.9225000       2.843000       1.098000     -0.7425000       1.434000
  1 1 1     -29  -29    1 o    4.828000      0.5947000       5.058000 0.7290000       4.599000      0.9397000      0.4584000       1.189000
  1 1 1     -29  -29    2 o    3.247000      0.6368000       4.171000 0.8182000       2.323000      0.9759000       1.848000       1.274000
  1 1 1     -29  -29    3 o    2.637000      0.9480000       2.637000 0.9480000                  ?              ?              ?              ?
  1 1 1     -29  -29    4 o    3.222000      0.6996000       3.558000 0.9583000       2.887000       1.019000      0.6704000       1.399000
  1 1 1     -29  -29    5 o    3.984000       1.040000                  ?       ?   3.984000       1.040000                  ?              ?
  1 1 1     -29  -29    6 o    2.021000      0.6250000       2.183000 0.9052000       1.859000      0.8620000      0.3239000       1.250000
  1 1 1     -29  -29    7 o    2.703000      0.7293000       2.453000 0.9795000       2.953000       1.081000     -0.5000000       1.459000
  1 1 1     -29  -29    8 o    3.661000      0.6900000       3.642000 0.8984000       3.680000       1.048000     -0.3817000E-01   1.380000
  1 1 1     -29  -29    9 o    2.364000      0.7046000       2.188000 0.9330000       2.540000       1.056000     -0.3522000       1.409000
  1 1 1     -29  -29   10 o    3.592000      0.7137000       4.207000 0.9130000       2.977000       1.097000       1.230000       1.427000
  1 1 1     -29  -29   11 o    2.361000      0.6692000       2.813000 1.014000       1.908000      0.8741000      0.9046000       1.338000
  1 1 1     -29  -29   12 o    2.337000      0.6959000       2.546000 1.003000       2.128000      0.9651000      0.4187000       1.392000
  1 1 1     -29  -29   13 o    3.794000      0.7172000       4.228000 0.9220000       3.360000       1.099000      0.8678000       1.434000
  1 1 1     -29  -29   14 o    3.136000      0.7274000       3.765000 1.026000       2.507000       1.032000       1.258000       1.455000
  1 1 1     -29  -28    1 o    4.922000      0.5518000       4.359000 0.8413000       5.485000      0.7143000      -1.127000       1.104000
  1 1 1     -29  -28    2 o    3.343000      0.6899000       3.603000 0.9259000       3.082000       1.023000      0.5217000       1.380000
  1 1 1     -29  -28    3 o    1.913000      0.8637000       1.913000 0.8637000                  ?              ?              ?              ?
  1 1 1     -29  -28    4 o    2.524000      0.6537000       3.060000 0.9482000       1.988000      0.9000000       1.072000       1.307000
  1 1 1     -29  -28    5 o    3.592000       1.023000                  ?       ?   3.592000       1.023000                  ?              ?
  1 1 1     -29  -28    6 o    6.009000      0.5018000       6.445000 0.6308000       5.573000      0.7806000      0.8719000       1.004000
  1 1 1     -29  -28    7 o    2.277000      0.6798000       2.007000 0.8963000       2.546000       1.022000     -0.5384000       1.360000
  1 1 1     -29  -28    8 o    3.111000      0.7024000       3.719000 0.9427000       2.503000       1.042000       1.216000       1.405000
  1 1 1     -29  -28    9 o    2.259000      0.6731000       2.423000 0.9656000       2.095000      0.9381000      0.3282000       1.346000
  1 1 1     -29  -28   10 o    3.233000      0.7221000       3.359000 0.9742000       3.107000       1.066000      0.2518000       1.444000
  1 1 1     -29  -28   11 o    2.313000      0.6619000       2.686000 0.9742000       1.940000      0.8963000      0.7458000       1.324000
  1 1 1     -29  -28   12 o    3.234000      0.7510000       3.533000 1.046000       2.935000       1.078000      0.5979000       1.502000
  1 1 1     -29  -28   13 o    2.714000      0.7242000       3.142000 1.054000       2.287000      0.9938000      0.8546000       1.448000
  1 1 1     -29  -28   14 o    2.357000      0.6950000       2.242000 0.9468000       2.472000       1.018000     -0.2296000       1.390000
  1 1 1     -29  -28   15 o    2.914000      0.7166000       2.162000 0.9449000       3.665000       1.078000      -1.502000       1.433000
  1 1 1     -29  -28   16 o    2.513000      0.7029000       2.456000 0.9451000       2.570000       1.041000     -0.1134000       1.406000
  1 1 1     -29  -27    1 o    4.340000      0.8119000       4.925000 0.9235000       3.755000       1.336000       1.170000       1.624000
  1 1 1     -29  -27    2 o    3.191000      0.6572000       3.886000 0.8438000       2.496000       1.008000       1.390000       1.314000
  1 1 1     -29  -27    3 o    3.215000      0.7199000       3.616000 0.9901000       2.815000       1.045000      0.8008000       1.440000
  1 1 1     -29  -27    4 o    2.576000      0.6999000       2.275000 0.9319000       2.878000       1.045000     -0.6031000       1.400000
  1 1 1     -29  -27    5 o    2.908000      0.7156000       2.315000 0.9252000       3.501000       1.092000      -1.186000       1.431000
  1 1 1     -29  -27    6 o    5.705000      0.4969000       5.590000 0.7076000       5.819000      0.6978000     -0.2290000      0.9938000
  1 1 1     -29  -27    7 o    6.676000      0.4690000       7.158000 0.5564000       6.194000      0.7552000      0.9640000      0.9381000
  1 1 1     -29  -27    8 o    3.104000      0.7350000       2.530000 0.9829000       3.678000       1.093000      -1.148000       1.470000
  1 1 1     -29  -27    9 o    2.573000      0.6854000       2.135000 0.8951000       3.011000       1.038000     -0.8753000       1.371000
  1 1 1     -29  -27   10 o    2.257000      0.6820000       1.920000 0.8660000       2.594000       1.054000     -0.6746000       1.364000
  1 1 1     -29  -27   11 o    2.919000      0.7285000       3.101000 1.015000       2.737000       1.046000      0.3637000       1.457000
  1 1 1     -29  -27   12 o    3.792000      0.6477000       2.591000 1.003000       4.993000      0.8196000      -2.402000       1.295000
  1 1 1     -29  -27   13 o    3.688000      0.7022000       4.413000 0.9180000       2.964000       1.063000       1.449000       1.404000
  1 1 1     -29  -27   14 o    6.255000      0.4762000       5.900000 0.6833000       6.610000      0.6634000     -0.7094000      0.9524000
  1 1 1     -29  -27   15 o    3.600000      0.6984000       4.138000 0.9447000       3.061000       1.029000       1.076000       1.397000
  1 1 1     -29  -27   16 o    2.255000      0.6668000       1.892000 0.8643000       2.618000       1.016000     -0.7262000       1.334000
  1 1 1     -29  -27   17 o    2.383000      0.6867000       2.304000 0.9457000       2.463000      0.9959000     -0.1590000       1.373000
  1 1 1     -29  -26    1 o    5.630000      0.5028000       6.077000 0.6072000       5.183000      0.8015000      0.8950000       1.006000
  1 1 1     -29  -26    2 o    2.642000      0.7755000       1.932000 0.8852000       3.352000       1.273000      -1.420000       1.551000
  1 1 1     -29  -26    3 o    2.962000      0.7954000       3.285000 1.084000       2.639000       1.164000      0.6467000       1.591000
  1 1 1     -29  -26    4 o    2.050000      0.6245000       2.204000 0.9026000       1.896000      0.8634000      0.3079000       1.249000
  1 1 1     -29  -26    5 o    3.168000      0.7180000       2.922000 1.004000       3.415000       1.026000     -0.4929000       1.436000
  1 1 1     -29  -26    6 o    6.585000      0.4345000       6.350000 0.5911000       6.819000      0.6370000     -0.4695000      0.8690000
  1 1 1     -29  -26    7 o    3.350000      0.6565000       4.429000 0.8943000       2.272000      0.9613000       2.157000       1.313000
  1 1 1     -29  -26    8 o    2.911000      0.6812000       1.939000 0.8615000       3.883000       1.056000      -1.944000       1.362000
  1 1 1     -29  -26    9 f    3.167000      0.7269000       2.743000 1.012000       3.592000       1.044000     -0.8486000       1.454000
  1 1 1     -29  -26   10 o    5.116000      0.5865000       5.302000 0.7771000       4.930000      0.8788000      0.3729000       1.173000
  1 1 1     -29  -26   11 o    3.258000      0.7276000       3.251000 0.9939000       3.265000       1.063000     -0.1413000E-01   1.455000
  1 1 1     -29  -26   12 o    2.066000      0.6453000       1.999000 0.8858000       2.132000      0.9385000     -0.1332000       1.291000
  1 1 1     -29  -26   13 o    3.029000      0.6995000       2.046000 0.9121000       4.011000       1.061000      -1.965000       1.399000
  1 1 1     -29  -26   14 f    4.549000      0.6495000       4.325000 0.9135000       4.774000      0.9236000     -0.4484000       1.299000
  1 1 1     -29  -26   15 o    2.200000      0.6711000       2.075000 0.9221000       2.325000      0.9753000     -0.2504000       1.342000
  1 1 1     -29  -26   16 o    2.510000      0.7158000       2.072000 0.9278000       2.948000       1.090000     -0.8768000       1.432000
  1 1 1     -29  -26   17 f    2.661000      0.7230000       2.700000 0.9938000       2.622000       1.050000      0.7790000E-01   1.446000
  1 1 1     -29  -26   18 o    2.364000      0.6757000       2.463000 0.9476000       2.265000      0.9634000      0.1973000       1.351000
  1 1 1     -29  -25    1 o    5.166000      0.5024000       5.047000 0.6851000       5.285000      0.7350000     -0.2381000       1.005000
  1 1 1     -29  -25    2 o    2.784000      0.6748000       3.277000 0.9374000       2.291000      0.9710000      0.9867000       1.350000
  1 1 1     -29  -25    3 o    2.532000      0.7512000       2.453000 0.9699000       2.610000       1.147000     -0.1575000       1.502000
  1 1 1     -29  -25    4 o    3.644000      0.7167000       4.344000 0.9785000       2.944000       1.047000       1.399000       1.433000
  1 1 1     -29  -25    5 o    2.337000      0.6520000       2.706000 0.9517000       1.967000      0.8913000      0.7382000       1.304000
  1 1 1     -29  -25    6 o    3.133000      0.6159000       3.854000 0.7659000       2.413000      0.9648000       1.441000       1.232000
  1 1 1     -29  -25    7 o    2.221000      0.6674000       1.924000 0.8626000       2.519000       1.019000     -0.5954000       1.335000
  1 1 1     -29  -25    8 o    3.091000      0.7088000       3.276000 0.9799000       2.907000       1.024000      0.3689000       1.418000
  1 1 1     -29  -25    9 f    2.462000      0.6839000       2.583000 0.9819000       2.340000      0.9524000      0.2435000       1.368000
  1 1 1     -29  -25   10 o    3.773000      0.7181000       3.457000 1.006000       4.090000       1.025000     -0.6332000       1.436000
  1 1 1     -29  -25   11 o    3.033000      0.7263000       3.472000 1.023000       2.594000       1.032000      0.8782000       1.453000
  1 1 1     -29  -25   12 o    3.713000      0.7084000       4.273000 0.9502000       3.154000       1.051000       1.119000       1.417000
  1 1 1     -29  -25   13 o    3.776000      0.7208000       3.581000 1.015000       3.971000       1.024000     -0.3890000       1.442000
  1 1 1     -29  -25   14 o    3.506000      0.6755000       2.475000 0.9887000       4.537000      0.9206000      -2.061000       1.351000
  1 1 1     -29  -25   15 o    4.517000      0.6436000       3.969000 0.9904000       5.064000      0.8223000      -1.095000       1.287000
  1 1 1     -29  -25   16 o    3.917000      0.7141000       3.991000 0.9775000       3.843000       1.041000      0.1480000       1.428000
  1 1 1     -29  -25   17 f    3.006000      0.7186000       3.626000 1.020000       2.387000       1.013000       1.239000       1.437000
  1 1 1     -29  -25   18 o    2.366000      0.6803000       1.881000 0.8538000       2.850000       1.059000     -0.9693000       1.361000
  1 1 1     -29  -25   19 o    3.176000      0.6867000       2.533000 0.9528000       3.820000      0.9891000      -1.287000       1.373000
  1 1 1     -29  -24    1 o    2.813000      0.7602000       3.705000 1.213000       1.921000      0.9166000       1.784000       1.520000
  1 1 1     -29  -24    2 o    1.835000      0.6002000       1.601000 0.7355000       2.068000      0.9487000     -0.4671000       1.200000
  1 1 1     -29  -24    3 o    3.071000      0.6629000       3.661000 0.9046000       2.480000      0.9693000       1.181000       1.326000
  1 1 1     -29  -24    4 o    4.323000      0.8030000       4.323000 0.8030000                  ?              ?              ?              ?
  1 1 1     -29  -24    5 o    4.767000      0.7557000       4.460000 0.9231000       5.075000       1.197000     -0.6155000       1.511000
  1 1 1     -29  -24    6 o    3.412000       1.058000                  ?       ?   3.412000       1.058000                  ?              ?
  1 1 1     -29  -24    7 o    3.549000      0.6506000       4.253000 0.8083000       2.845000       1.020000       1.408000       1.301000
  1 1 1     -29  -24    8 o    3.487000      0.6740000       4.465000 0.8984000       2.508000       1.005000       1.958000       1.348000
  1 1 1     -29  -24    9 o    4.504000      0.6364000       4.924000 0.8136000       4.083000      0.9789000      0.8414000       1.273000
  1 1 1     -29  -24   10 o    5.737000      0.5134000       6.348000 0.6015000       5.126000      0.8323000       1.221000       1.027000
  1 1 1     -29  -24   11 o    6.352000      0.4647000       6.403000 0.6622000       6.301000      0.6522000      0.1024000      0.9294000
  1 1 1     -29  -24   12 o    7.288000      0.4764000       8.233000 0.5555000       6.343000      0.7740000       1.889000      0.9528000
  1 1 1     -29  -24   13 o    3.026000      0.7583000       3.135000 1.036000       2.918000       1.107000      0.2162000       1.517000
  1 1 1     -29  -24   14 o    2.999000      0.7195000       3.541000 1.004000       2.458000       1.031000       1.083000       1.439000
  1 1 1     -29  -24   15 o    3.140000      0.7466000       2.863000 1.064000       3.417000       1.047000     -0.5539000       1.493000
  1 1 1     -29  -24   16 o    5.570000      0.5577000       5.814000 0.7107000       5.325000      0.8596000      0.4894000       1.115000
  1 1 1     -29  -24   17 o    2.600000      0.7012000       2.715000 0.9773000       2.485000       1.006000      0.2298000       1.402000
  1 1 1     -29  -24   18 o    2.376000      0.6811000       2.639000 0.9925000       2.113000      0.9331000      0.5255000       1.362000
  1 1 1     -29  -24   19 o    2.009000      0.6318000       1.737000 0.8216000       2.282000      0.9600000     -0.5447000       1.264000
  1 1 1     -29  -24   20 o    1.930000      0.9067000       1.930000 0.9067000                  ?              ?              ?              ?
  1 1 1     -29  -23    1 o    2.263000      0.6353000       2.708000 0.9540000       1.819000      0.8391000      0.8883000       1.271000
  1 1 1     -29  -23    2 o    3.147000      0.8240000       2.783000 1.135000       3.511000       1.195000     -0.7284000       1.648000
  1 1 1     -29  -23    3 f    3.922000      0.8557000       3.879000 1.258000       3.964000       1.160000     -0.8588000E-01   1.711000
  1 1 1     -29  -23    4 o    4.249000      0.6667000       3.869000 0.9136000       4.630000      0.9712000     -0.7618000       1.333000
  1 1 1     -29  -23    5 o    6.141000      0.4443000       6.388000 0.5684000       5.895000      0.6829000      0.4932000      0.8885000
  1 1 1     -29  -23    6 o    3.395000       1.280000                  ?       ?   3.395000       1.280000                  ?              ?
  1 1 1     -29  -23    7 o    2.074000      0.6181000       2.604000 0.9815000       1.544000      0.7516000       1.059000       1.236000
  1 1 1     -29  -23    8 o    4.874000      0.5878000       4.588000 0.7944000       5.160000      0.8667000     -0.5717000       1.176000
  1 1 1     -29  -23    9 o    3.176000      0.7298000       2.671000 0.9962000       3.681000       1.067000      -1.010000       1.460000
  1 1 1     -29  -23   10 o    2.837000      0.7214000       3.111000 1.026000       2.563000       1.015000      0.5475000       1.443000
  1 1 1     -29  -23   11 o    3.345000      0.7580000       3.350000 1.057000       3.340000       1.087000      0.1008000E-01   1.516000
  1 1 1     -29  -23   12 o    6.282000      0.4866000       5.665000 0.7267000       6.899000      0.6473000      -1.234000      0.9732000
  1 1 1     -29  -23   13 o    2.526000      0.7008000       2.034000 0.8843000       3.019000       1.087000     -0.9849000       1.402000
  1 1 1     -29  -23   14 o    3.806000      0.7238000       3.337000 1.054000       4.275000      0.9922000     -0.9387000       1.448000
  1 1 1     -29  -23   15 f    2.134000      0.6626000       2.426000 1.003000       1.842000      0.8658000      0.5847000       1.325000
  1 1 1     -29  -23   16 o    4.224000      0.6861000       3.173000 1.073000       5.275000      0.8555000      -2.102000       1.372000
  1 1 1     -29  -23   17 o    2.626000      0.7123000       2.031000 0.9107000       3.222000       1.095000      -1.191000       1.425000
  1 1 1     -29  -23   18 o    2.366000      0.6907000       2.502000 0.9932000       2.230000      0.9602000      0.2719000       1.381000
  1 1 1     -29  -23   19 o    3.292000      0.6687000       4.202000 0.9063000       2.381000      0.9834000       1.821000       1.337000
  1 1 1     -29  -23   20 o    5.452000      0.5905000       6.811000 0.6311000       4.093000      0.9982000       2.718000       1.181000
  1 1 1     -29  -22    1 o    10.66000      0.3116000       10.98000 0.4232000       10.33000      0.4576000      0.6422000      0.6233000
  1 1 1     -29  -22    2 o    3.455000      0.6764000       3.721000 0.8858000       3.190000       1.022000      0.5312000       1.353000
  1 1 1     -29  -22    3 o    3.303000      0.8089000       2.962000 1.123000       3.645000       1.164000     -0.6822000       1.618000
  1 1 1     -29  -22    4 o    3.319000      0.8424000       3.091000 1.226000       3.547000       1.156000     -0.4554000       1.685000
  1 1 1     -29  -22    5 o    2.248000      0.6366000       1.719000 0.7922000       2.776000      0.9968000      -1.057000       1.273000
  1 1 1     -29  -22    6 o    10.03000      0.3962000       9.586000 0.6262000       10.47000      0.4856000     -0.8875000      0.7924000
  1 1 1     -29  -22    7 f    3.039000      0.7797000       3.618000 1.105000       2.459000       1.101000       1.158000       1.559000
  1 1 1     -29  -22    8 o    4.220000      0.6464000       3.690000 0.9513000       4.750000      0.8755000      -1.060000       1.293000
  1 1 1     -29  -22    9 o    3.782000      0.7217000       3.990000 0.9786000       3.574000       1.061000      0.4164000       1.443000
  1 1 1     -29  -22   10 o    3.058000      0.7197000       2.445000 0.9748000       3.670000       1.059000      -1.226000       1.439000
  1 1 1     -29  -22   11 o    4.557000      0.6370000       4.474000 0.8706000       4.640000      0.9302000     -0.1663000       1.274000
  1 1 1     -29  -22   12 o    3.144000      0.7531000       3.044000 1.061000       3.245000       1.069000     -0.2005000       1.506000
  1 1 1     -29  -22   13 o    3.429000      0.7428000       3.982000 1.008000       2.876000       1.091000       1.107000       1.486000
  1 1 1     -29  -22   14 o    3.540000      0.7817000       3.474000 1.069000       3.605000       1.140000     -0.1313000       1.563000
  1 1 1     -29  -22   15 o    8.378000      0.4936000       8.346000 0.5565000       8.409000      0.8153000     -0.6349000E-01  0.9871000
  1 1 1     -29  -22   16 o    3.144000      0.7134000       3.859000 1.009000       2.428000       1.009000       1.431000       1.427000
  1 1 1     -29  -22   17 o    2.745000      0.6809000       3.545000 1.026000       1.946000      0.8949000       1.598000       1.362000
  1 1 1     -29  -22   18 o    2.646000      0.7095000       3.007000 1.034000       2.284000      0.9721000      0.7235000       1.419000
  1 1 1     -29  -22   19 o    3.929000      0.7285000       3.384000 1.060000       4.474000      0.9993000      -1.090000       1.457000
  1 1 1     -29  -22   20 o    4.532000      0.6461000       4.715000 0.8626000       4.349000      0.9620000      0.3662000       1.292000
  1 1 1     -29  -22   21 o    2.101000      0.6391000       1.564000 0.7602000       2.638000       1.028000      -1.075000       1.278000
  1 1 1     -29  -21    1 o    8.036000      0.3467000       8.072000 0.4834000       8.000000      0.4970000      0.7231000E-01  0.6933000
  1 1 1     -29  -21    2 o    8.509000      0.3490000       9.032000 0.4464000       7.986000      0.5365000       1.047000      0.6979000
  1 1 1     -29  -21    3 o    8.405000      0.3383000       8.322000 0.4548000       8.489000      0.5008000     -0.1676000      0.6766000
  1 1 1     -29  -21    4 o    4.680000      0.8166000       4.770000 1.204000       4.590000       1.104000      0.1797000       1.633000
  1 1 1     -29  -21    5 o    2.667000      0.8003000       2.822000 1.182000       2.511000       1.079000      0.3107000       1.601000
  1 1 1     -29  -21    6 o    4.397000      0.6255000       4.978000 0.7618000       3.817000      0.9924000       1.161000       1.251000
  1 1 1     -29  -21    7 o    2.482000      0.6730000       2.662000 0.9664000       2.302000      0.9369000      0.3601000       1.346000
  1 1 1     -29  -21    8 o    3.370000      0.8076000       3.591000 1.050000       3.150000       1.227000      0.4410000       1.615000
  1 1 1     -29  -21    9 o    5.435000      0.5290000       5.737000 0.7089000       5.132000      0.7854000      0.6057000       1.058000
  1 1 1     -29  -21   10 o    3.738000      0.7296000       3.665000 1.017000       3.811000       1.046000     -0.1459000       1.459000
  1 1 1     -29  -21   11 o    3.613000      0.7473000       3.382000 1.044000       3.844000       1.070000     -0.4616000       1.495000
  1 1 1     -29  -21   12 o    2.596000      0.7190000       2.117000 0.9256000       3.075000       1.100000     -0.9580000       1.438000
  1 1 1     -29  -21   13 o    2.828000      0.6933000       3.568000 1.015000       2.088000      0.9448000       1.480000       1.387000
  1 1 1     -29  -21   14 o    3.444000      0.7545000       3.248000 1.028000       3.640000       1.104000     -0.3918000       1.509000
  1 1 1     -29  -21   15 o    2.720000      0.7122000       3.131000 1.038000       2.309000      0.9751000      0.8222000       1.424000
  1 1 1     -29  -21   16 o    2.041000      0.6500000       1.960000 0.8994000       2.122000      0.9385000     -0.1626000       1.300000
  1 1 1     -29  -21   17 o    4.077000      0.7141000       3.856000 1.060000       4.299000      0.9570000     -0.4434000       1.428000
  1 1 1     -29  -21   18 o    5.787000      0.5419000       6.087000 0.7140000       5.487000      0.8152000      0.5994000       1.084000
  1 1 1     -29  -21   19 o    3.560000      0.7504000       3.466000 1.047000       3.653000       1.075000     -0.1873000       1.501000
  1 1 1     -29  -21   20 o    2.301000      0.6919000       1.969000 0.8920000       2.634000       1.058000     -0.6646000       1.384000
  1 1 1     -29  -21   21 o    2.547000      0.6537000       1.693000 0.8039000       3.401000       1.031000      -1.708000       1.307000
  1 1 1     -29  -20    1 o    11.65000      0.2981000       11.89000 0.4113000       11.41000      0.4316000      0.4791000      0.5962000
  1 1 1     -29  -20    2 o    6.015000      0.4379000       6.582000 0.5337000       5.449000      0.6943000       1.134000      0.8757000
  1 1 1     -29  -20    3 o    3.269000      0.6802000       3.392000 0.9174000       3.146000       1.005000      0.2451000       1.360000
  1 1 1     -29  -20    4 f    9.624000      0.3244000       9.793000 0.4489000       9.455000      0.4684000      0.3380000      0.6488000
  1 1 1     -29  -20    5 o    3.539000       1.281000       3.539000 1.281000                  ?              ?              ?              ?
  1 1 1     -29  -20    6 o    3.426000      0.8610000       3.862000 1.274000       2.991000       1.159000      0.8711000       1.722000
  1 1 1     -29  -20    7 o    7.150000      0.5775000                  ?       ?   7.150000      0.5775000                  ?              ?
  1 1 1     -29  -20    8 o    2.817000      0.7930000       2.557000 1.014000       3.078000       1.219000     -0.5205000       1.586000
  1 1 1     -29  -20    9 o    4.167000      0.7433000       5.471000 0.8829000       2.864000       1.196000       2.607000       1.487000
  1 1 1     -29  -20   10 o    4.322000      0.6347000       4.183000 0.9098000       4.460000      0.8851000     -0.2771000       1.269000
  1 1 1     -29  -20   11 o    7.195000      0.4337000       7.674000 0.5677000       6.716000      0.6558000      0.9582000      0.8674000
  1 1 1     -29  -20   12 o    7.670000      0.4194000       7.846000 0.5696000       7.493000      0.6156000      0.3525000      0.8387000
  1 1 1     -29  -20   13 o    3.419000      0.7345000       3.054000 1.030000       3.784000       1.047000     -0.7295000       1.469000
  1 1 1     -29  -20   14 f    8.454000      0.4029000       9.123000 0.5218000       7.786000      0.6139000       1.337000      0.8057000
  1 1 1     -29  -20   15 o    6.460000      0.5029000       7.262000 0.6205000       5.659000      0.7915000       1.604000       1.006000
  1 1 1     -29  -20   16 o    4.026000      0.7295000       3.824000 1.053000       4.227000       1.010000     -0.4030000       1.459000
  1 1 1     -29  -20   17 o    4.803000      0.6361000       5.213000 0.8040000       4.393000      0.9859000      0.8197000       1.272000
  1 1 1     -29  -20   18 o    5.590000      0.5504000       6.067000 0.7300000       5.113000      0.8240000      0.9540000       1.101000
  1 1 1     -29  -20   19 o    2.361000      0.6952000       2.240000 0.9507000       2.482000       1.015000     -0.2425000       1.390000
  1 1 1     -29  -20   20 o    4.316000      0.6665000       3.860000 0.9920000       4.772000      0.8904000     -0.9116000       1.333000
  1 1 1     -29  -20   21 o    2.035000      0.6423000       2.117000 0.9284000       1.952000      0.8880000      0.1647000       1.285000
  1 1 1     -29  -20   22 o    1.836000      0.5980000       1.773000 0.8283000       1.900000      0.8627000     -0.1272000       1.196000
  1 1 1     -29  -19    1 o    13.81000      0.2956000       13.42000 0.4187000       14.20000      0.4174000     -0.7855000      0.5912000
  1 1 1     -29  -19    2 o    2.489000      0.6312000       2.835000 0.8852000       2.143000      0.9000000      0.6919000       1.262000
  1 1 1     -29  -19    3 o    6.697000      0.4065000       6.510000 0.5696000       6.884000      0.5801000     -0.3746000      0.8129000
  1 1 1     -29  -19    4 o    12.09000      0.3078000       12.43000 0.4171000       11.75000      0.4529000      0.6783000      0.6156000
  1 1 1     -29  -19    5 o    3.420000      0.9673000       3.420000 0.9673000                  ?              ?              ?              ?
  1 1 1     -29  -19    6 o    5.037000      0.7553000       4.777000 1.147000       5.297000      0.9830000     -0.5199000       1.511000
  1 1 1     -29  -19    7 o    5.346000      0.7308000                  ?       ?   5.346000      0.7308000                  ?              ?
  1 1 1     -29  -19    8 o    8.148000      0.3657000       7.782000 0.5163000       8.513000      0.5182000     -0.7312000      0.7315000
  1 1 1     -29  -19    9 o    2.832000      0.8079000       2.724000 1.083000       2.941000       1.199000     -0.2167000       1.616000
  1 1 1     -29  -19   10 o    3.312000      0.8336000       3.589000 1.140000       3.036000       1.216000      0.5530000       1.667000
  1 1 1     -29  -19   11 o    7.454000      0.4206000       7.110000 0.5880000       7.798000      0.6015000     -0.6883000      0.8412000
  1 1 1     -29  -19   12 o    6.291000      0.4837000       6.322000 0.6519000       6.259000      0.7147000      0.6237000E-01  0.9673000
  1 1 1     -29  -19   13 o    2.827000      0.6877000       2.034000 0.8993000       3.621000       1.041000      -1.587000       1.375000
  1 1 1     -29  -19   14 o    8.570000      0.3796000       8.768000 0.5290000       8.372000      0.5446000      0.3967000      0.7592000
  1 1 1     -29  -19   15 o    4.481000      0.6545000       4.342000 0.9282000       4.620000      0.9229000     -0.2785000       1.309000
  1 1 1     -29  -19   16 o    4.547000      0.6484000       4.633000 0.9019000       4.462000      0.9317000      0.1712000       1.297000
  1 1 1     -29  -19   17 o    2.893000      0.7199000       3.275000 1.022000       2.510000       1.015000      0.7641000       1.440000
  1 1 1     -29  -19   18 o    5.958000      0.5119000       6.102000 0.6957000       5.813000      0.7512000      0.2898000       1.024000
  1 1 1     -29  -19   19 o    4.304000      0.6392000       4.904000 0.8222000       3.704000      0.9788000       1.200000       1.278000
  1 1 1     -29  -19   20 o    3.350000      0.7168000       3.119000 1.021000       3.581000       1.006000     -0.4620000       1.434000
  1 1 1     -29  -19   21 o    3.843000      0.6284000       5.164000 0.7735000       2.523000      0.9906000       2.641000       1.257000
  1 1 1     -29  -19   22 o    2.218000      0.6522000       1.772000 0.8224000       2.665000       1.013000     -0.8930000       1.304000
  1 1 1     -29  -18    1 o    16.45000      0.3043000       16.44000 0.4285000       16.45000      0.4321000     -0.7256000E-02  0.6085000
  1 1 1     -29  -18    2 o    2.685000      0.6556000       2.197000 0.8837000       3.172000      0.9687000     -0.9748000       1.311000
  1 1 1     -29  -18    3 o    9.978000      0.3100000       9.353000 0.4329000       10.60000      0.4439000      -1.251000      0.6201000
  1 1 1     -29  -18    4 o    6.419000      0.4137000       6.419000 0.5704000       6.419000      0.5994000      0.2756000E-03  0.8274000
  1 1 1     -29  -18    5 o    3.744000      0.6470000       4.097000 0.8641000       3.392000      0.9632000      0.7043000       1.294000
  1 1 1     -29  -18    6 o    8.052000      0.5170000       7.968000 0.7538000       8.135000      0.7077000     -0.1669000       1.034000
  1 1 1     -29  -18    7 o    8.150000      0.5177000       7.555000 0.7913000       8.745000      0.6677000      -1.190000       1.035000
  1 1 1     -29  -18    8 o    2.672000      0.6972000       2.643000 0.9727000       2.701000      0.9991000     -0.5791000E-01   1.394000
  1 1 1     -29  -18    9 o    2.757000      0.7003000       2.407000 0.9651000       3.108000       1.015000     -0.7010000       1.401000
  1 1 1     -29  -18   10 o    2.936000      0.8259000       2.822000 1.108000       3.050000       1.225000     -0.2279000       1.652000
  1 1 1     -29  -18   11 o    4.446000      0.6352000       5.221000 0.7547000       3.670000       1.022000       1.551000       1.270000
  1 1 1     -29  -18   12 o    6.154000      0.4804000       6.252000 0.6517000       6.055000      0.7059000      0.1970000      0.9607000
  1 1 1     -29  -18   13 o    6.616000      0.4502000       6.397000 0.6625000       6.835000      0.6098000     -0.4371000      0.9005000
  1 1 1     -29  -18   14 o    2.588000      0.7079000       2.850000 1.034000       2.327000      0.9667000      0.5222000       1.416000
  1 1 1     -29  -18   15 o    5.222000      0.5762000       5.232000 0.7779000       5.212000      0.8503000      0.1973000E-01   1.152000
  1 1 1     -29  -18   16 o    5.881000      0.4869000       5.582000 0.6943000       6.181000      0.6830000     -0.5988000      0.9739000
  1 1 1     -29  -18   17 o    3.696000      0.7213000       3.510000 1.011000       3.881000       1.029000     -0.3705000       1.443000
  1 1 1     -29  -18   18 o    6.110000      0.5246000       7.231000 0.5987000       4.989000      0.8616000       2.242000       1.049000
  1 1 1     -29  -18   19 o    3.310000      0.7172000       3.878000 1.004000       2.742000       1.024000       1.136000       1.434000
  1 1 1     -29  -18   20 o    2.773000      0.7088000       3.127000 1.024000       2.419000      0.9806000      0.7080000       1.418000
  1 1 1     -29  -18   21 o    4.734000      0.6286000       5.413000 0.7565000       4.056000       1.004000       1.357000       1.257000
  1 1 1     -29  -18   22 o    3.008000      0.6680000       2.119000 0.9241000       3.896000      0.9648000      -1.777000       1.336000
  1 1 1     -29  -18   23 o    3.383000      0.6957000       4.416000 0.9732000       2.349000      0.9944000       2.067000       1.391000
  1 1 1     -29  -17    1 o    11.54000      0.2921000       11.08000 0.4126000       12.00000      0.4135000     -0.9208000      0.5841000
  1 1 1     -29  -17    2 o    3.448000      0.6300000       3.005000 0.9183000       3.891000      0.8626000     -0.8862000       1.260000
  1 1 1     -29  -17    3 o    8.869000      0.3253000       9.277000 0.4405000       8.462000      0.4787000      0.8147000      0.6506000
  1 1 1     -29  -17    4 o    4.540000      0.5535000       4.578000 0.7371000       4.502000      0.8259000      0.7622000E-01   1.107000
  1 1 1     -29  -17    5 o    3.187000      0.6879000       3.434000 0.9390000       2.940000       1.005000      0.4934000       1.376000
  1 1 1     -29  -17    6 o    7.616000      0.3822000       7.932000 0.4994000       7.300000      0.5789000      0.6322000      0.7645000
  1 1 1     -29  -17    7 o    4.036000      0.7948000       3.930000 1.132000       4.142000       1.116000     -0.2119000       1.590000
  1 1 1     -29  -17    8 o    3.113000      0.6843000       2.752000 0.9668000       3.473000      0.9688000     -0.7212000       1.369000
  1 1 1     -29  -17    9 o    3.082000      0.6763000       3.459000 0.9358000       2.705000      0.9765000      0.7535000       1.353000
  1 1 1     -29  -17   10 o    2.265000      0.7209000       2.102000 0.9576000       2.428000       1.078000     -0.3253000       1.442000
  1 1 1     -29  -17   11 o    5.834000      0.5335000       7.052000 0.7466000       4.615000      0.7624000       2.437000       1.067000
  1 1 1     -29  -17   12 o    10.62000      0.3323000       10.61000 0.4555000       10.63000      0.4838000     -0.1784000E-01  0.6645000
  1 1 1     -29  -17   13 f    7.219000      0.4193000       7.502000 0.5681000       6.935000      0.6168000      0.5665000      0.8385000
  1 1 1     -29  -17   14 o    2.196000      0.6652000       2.117000 0.9209000       2.276000      0.9601000     -0.1597000       1.330000
  1 1 1     -29  -17   15 o    5.180000      0.5919000       5.828000 0.7101000       4.532000      0.9472000       1.295000       1.184000
  1 1 1     -29  -17   16 o    6.543000      0.4859000       5.616000 0.7551000       7.470000      0.6119000      -1.854000      0.9719000
  1 1 1     -29  -17   17 o    2.435000      0.7071000       2.309000 0.9620000       2.562000       1.037000     -0.2534000       1.414000
  1 1 1     -29  -17   18 o    5.680000      0.5363000       5.893000 0.7030000       5.466000      0.8101000      0.4265000       1.073000
  1 1 1     -29  -17   19 o    2.521000      0.7043000       2.514000 0.9780000       2.527000       1.014000     -0.1314000E-01   1.409000
  1 1 1     -29  -17   20 o    2.325000      0.6732000       2.767000 1.029000       1.882000      0.8681000      0.8849000       1.346000
  1 1 1     -29  -17   21 o    4.500000      0.6379000       3.970000 0.9867000       5.030000      0.8088000      -1.061000       1.276000
  1 1 1     -29  -17   22 o    3.692000      0.7297000       3.584000 1.037000       3.801000       1.027000     -0.2176000       1.459000
  1 1 1     -29  -17   23 o    5.986000      0.4926000       6.423000 0.6611000       5.550000      0.7303000      0.8730000      0.9851000
  1 1 1     -29  -16    1 o    13.65000      0.2887000       13.82000 0.4022000       13.48000      0.4144000      0.3450000      0.5775000
  1 1 1     -29  -16    2 o    6.452000      0.3826000       6.639000 0.5137000       6.265000      0.5672000      0.3741000      0.7652000
  1 1 1     -29  -16    3 o    12.74000      0.2936000       12.65000 0.4085000       12.82000      0.4218000     -0.1691000      0.5872000
  1 1 1     -29  -16    4 o    5.520000      0.4577000       5.718000 0.5877000       5.322000      0.7018000      0.3959000      0.9154000
  1 1 1     -29  -16    5 o    5.536000      0.4547000       5.630000 0.6072000       5.441000      0.6769000      0.1889000      0.9093000
  1 1 1     -29  -16    6 o    7.240000      0.3751000       8.012000 0.4921000       6.468000      0.5662000       1.544000      0.7501000
  1 1 1     -29  -16    7 o    5.087000      0.6882000       5.167000 0.9839000       5.008000      0.9626000      0.1589000       1.376000
  1 1 1     -29  -16    8 o    3.439000      0.7473000       4.256000 1.030000       2.623000       1.083000       1.633000       1.495000
  1 1 1     -29  -16    9 o    2.642000      0.6733000       2.682000 0.9543000       2.602000      0.9501000      0.8009000E-01   1.347000
  1 1 1     -29  -16   10 o    5.413000      0.4401000       4.866000 0.6495000       5.961000      0.5942000      -1.095000      0.8803000
  1 1 1     -29  -16   11 o    4.301000      0.8178000       4.723000 1.043000       3.880000       1.259000      0.8436000       1.636000
  1 1 1     -29  -16   12 o    4.780000      0.5918000       5.058000 0.7516000       4.502000      0.9144000      0.5562000       1.184000
  1 1 1     -29  -16   13 o    5.996000      0.4911000       6.032000 0.6848000       5.960000      0.7040000      0.7166000E-01  0.9821000
  1 1 1     -29  -16   14 o    2.202000      0.6472000       2.742000 1.022000       1.662000      0.7939000       1.080000       1.294000
  1 1 1     -29  -16   15 o    9.372000      0.3569000       9.444000 0.5012000       9.300000      0.5083000      0.1435000      0.7138000
  1 1 1     -29  -16   16 o    6.455000      0.4774000       6.755000 0.6418000       6.155000      0.7070000      0.6004000      0.9548000
  1 1 1     -29  -16   17 o    2.992000      0.7284000       3.394000 1.035000       2.591000       1.025000      0.8024000       1.457000
  1 1 1     -29  -16   18 o    4.209000      0.6781000       3.291000 1.062000       5.127000      0.8433000      -1.836000       1.356000
  1 1 1     -29  -16   19 o    2.076000      0.6443000       2.432000 0.9966000       1.721000      0.8168000      0.7110000       1.289000
  1 1 1     -29  -16   20 o    4.789000      0.6162000       4.291000 0.9369000       5.287000      0.8008000     -0.9961000       1.232000
  1 1 1     -29  -16   21 o    7.060000      0.4288000       7.308000 0.5812000       6.812000      0.6307000      0.4954000      0.8576000
  1 1 1     -29  -16   22 o    3.087000      0.7254000       2.770000 1.013000       3.403000       1.039000     -0.6329000       1.451000
  1 1 1     -29  -16   23 o    5.799000      0.5134000       5.242000 0.7957000       6.356000      0.6490000      -1.114000       1.027000
  1 1 1     -29  -15    1 o    12.66000      0.2825000       12.90000 0.3901000       12.42000      0.4088000      0.4838000      0.5651000
  1 1 1     -29  -15    2 o    7.427000      0.3433000       7.171000 0.4896000       7.683000      0.4814000     -0.5117000      0.6867000
  1 1 1     -29  -15    3 f    2.258000      0.6219000       2.429000 0.8827000       2.088000      0.8763000      0.3409000       1.244000
  1 1 1     -29  -15    4 o    2.467000      0.6501000       2.182000 0.8701000       2.752000      0.9662000     -0.5699000       1.300000
  1 1 1     -29  -15    5 o    8.823000      0.3338000       9.184000 0.4393000       8.462000      0.5026000      0.7224000      0.6675000
  1 1 1     -29  -15    6 o    10.05000      0.4366000       10.05000 0.4366000                  ?              ?              ?              ?
  1 1 1     -29  -15    7 o    6.264000      0.4264000       5.737000 0.6157000       6.792000      0.5900000      -1.055000      0.8528000
  1 1 1     -29  -15    8 o    2.993000       1.105000                  ?       ?   2.993000       1.105000                  ?              ?
  1 1 1     -29  -15    9 o    3.696000      0.6435000       3.636000 0.9023000       3.756000      0.9178000     -0.1195000       1.287000
  1 1 1     -29  -15   10 o    3.854000      0.6428000       3.352000 0.9793000       4.356000      0.8329000      -1.004000       1.286000
  1 1 1     -29  -15   11 o    7.761000      0.5500000       8.122000 0.7114000       7.401000      0.8390000      0.7207000       1.100000
  1 1 1     -29  -15   12 o    4.651000      0.6001000       4.670000 0.8260000       4.631000      0.8707000      0.3902000E-01   1.200000
  1 1 1     -29  -15   13 o    8.299000      0.3788000       8.485000 0.5294000       8.113000      0.5419000      0.3712000      0.7576000
  1 1 1     -29  -15   14 o    3.399000      0.6501000       2.200000 0.9476000       4.597000      0.8903000      -2.397000       1.300000
  1 1 1     -29  -15   15 o    6.787000      0.4538000       7.492000 0.5940000       6.083000      0.6864000       1.409000      0.9077000
  1 1 1     -29  -15   16 o    2.343000      0.6722000       2.937000 1.056000       1.750000      0.8321000       1.188000       1.344000
  1 1 1     -29  -15   17 o    8.506000      0.3927000       8.108000 0.5597000       8.904000      0.5511000     -0.7957000      0.7855000
  1 1 1     -29  -15   18 o    2.883000      0.7282000       3.210000 1.034000       2.556000       1.026000      0.6545000       1.456000
  1 1 1     -29  -15   19 o    2.144000      0.6642000       1.993000 0.8959000       2.295000      0.9807000     -0.3015000       1.328000
  1 1 1     -29  -15   20 o    2.432000      0.7049000       2.225000 0.9519000       2.639000       1.040000     -0.4143000       1.410000
  1 1 1     -29  -15   21 o    5.148000      0.5833000       5.554000 0.7757000       4.743000      0.8715000      0.8110000       1.167000
  1 1 1     -29  -15   22 f    3.103000      0.7233000       3.015000 1.031000       3.191000       1.015000     -0.1754000       1.447000
  1 1 1     -29  -15   23 o    2.774000      0.7047000       2.781000 0.9911000       2.767000       1.002000      0.1460000E-01   1.409000
  1 1 1     -29  -14    1 o    7.733000      0.3337000       7.939000 0.4460000       7.527000      0.4964000      0.4117000      0.6674000
  1 1 1     -29  -14    2 o    12.47000      0.2838000       12.05000 0.3964000       12.89000      0.4063000     -0.8429000      0.5676000
  1 1 1     -29  -14    3 o    4.274000      0.5520000       5.367000 0.6068000       3.181000      0.9222000       2.186000       1.104000
  1 1 1     -29  -14    4 o    4.418000      0.5121000       4.056000 0.7491000       4.779000      0.6984000     -0.7236000       1.024000
  1 1 1     -29  -14    5 o    11.75000      0.2960000       11.78000 0.4083000       11.71000      0.4287000      0.7357000E-01  0.5920000
  1 1 1     -29  -14    6 o    2.693000      0.9345000       2.693000 0.9345000                  ?              ?              ?              ?
  1 1 1     -29  -14    7 o    4.678000      0.5351000       4.945000 0.7032000       4.411000      0.8066000      0.5338000       1.070000
  1 1 1     -29  -14    8 o    1.740000      0.8384000                  ?       ?   1.740000      0.8384000                  ?              ?
  1 1 1     -29  -14    9 o    3.892000      0.6260000       2.864000 0.9935000       4.920000      0.7619000      -2.056000       1.252000
  1 1 1     -29  -14   10 o    5.012000      0.5318000       5.489000 0.6643000       4.536000      0.8306000      0.9538000       1.064000
  1 1 1     -29  -14   11 f    2.697000      0.7864000       2.565000 1.057000       2.830000       1.164000     -0.2651000       1.573000
  1 1 1     -29  -14   12 o    7.867000      0.3926000       7.865000 0.5449000       7.869000      0.5655000     -0.4347000E-02  0.7853000
  1 1 1     -29  -14   13 o    8.540000      0.3731000       8.373000 0.5340000       8.708000      0.5214000     -0.3353000      0.7463000
  1 1 1     -29  -14   14 o    3.732000      0.6861000       3.055000 1.020000       4.409000      0.9181000      -1.354000       1.372000
  1 1 1     -29  -14   15 o    7.936000      0.4027000       7.731000 0.5789000       8.142000      0.5601000     -0.4102000      0.8055000
  1 1 1     -29  -14   16 o    8.391000      0.4002000       8.116000 0.5798000       8.666000      0.5518000     -0.5500000      0.8004000
  1 1 1     -29  -14   17 o    9.257000      0.3807000       8.766000 0.5475000       9.748000      0.5291000     -0.9820000      0.7614000
  1 1 1     -29  -14   18 o    2.817000      0.7202000       2.699000 0.9960000       2.936000       1.040000     -0.2372000       1.440000
  1 1 1     -29  -14   19 o    2.378000      0.6949000       2.047000 0.9107000       2.709000       1.050000     -0.6625000       1.390000
  1 1 1     -29  -14   20 o    3.994000      0.6968000       3.619000 1.026000       4.369000      0.9427000     -0.7499000       1.394000
  1 1 1     -29  -14   21 o    2.361000      0.6638000       1.804000 0.8391000       2.918000       1.029000      -1.115000       1.328000
  1 1 1     -29  -14   22 o    2.753000      0.7227000       2.602000 1.017000       2.904000       1.027000     -0.3016000       1.445000
  1 1 1     -29  -14   23 o    3.858000      0.6376000       2.870000 0.9972000       4.845000      0.7948000      -1.976000       1.275000
  1 1 1     -29  -13    1 o    9.035000      0.2992000       8.704000 0.4176000       9.365000      0.4287000     -0.6606000      0.5985000
  1 1 1     -29  -13    2 o    8.873000      0.3049000       8.779000 0.4297000       8.968000      0.4327000     -0.1880000      0.6098000
  1 1 1     -29  -13    3 o    6.913000      0.3568000       7.219000 0.4816000       6.606000      0.5267000      0.6135000      0.7137000
  1 1 1     -29  -13    4 o    5.270000      0.4470000       4.828000 0.6630000       5.712000      0.5996000     -0.8840000      0.8939000
  1 1 1     -29  -13    5 f    8.222000      0.3353000       8.583000 0.4382000       7.861000      0.5076000      0.7227000      0.6706000
  1 1 1     -29  -13    6 o    7.488000      0.3631000       7.649000 0.4836000       7.327000      0.5419000      0.3217000      0.7263000
  1 1 1     -29  -13    7 o    2.253000      0.6482000       2.290000 0.9116000       2.215000      0.9218000      0.7517000E-01   1.296000
  1 1 1     -29  -13    8 o    3.609000      0.8162000       3.923000 1.158000       3.296000       1.150000      0.6265000       1.632000
  1 1 1     -29  -13    9 o    3.979000      0.6916000       5.550000 0.9315000       2.408000       1.023000       3.142000       1.383000
  1 1 1     -29  -13   10 o    5.496000      0.4951000       5.349000 0.7049000       5.643000      0.6954000     -0.2942000      0.9902000
  1 1 1     -29  -13   11 o    10.87000      0.4581000       11.21000 0.6078000       10.52000      0.6854000      0.6949000      0.9161000
  1 1 1     -29  -13   12 o    14.54000      0.4546000       14.52000 0.6218000       14.57000      0.6634000     -0.5317000E-01  0.9093000
  1 1 1     -29  -13   13 o    5.585000      0.5123000       4.915000 0.7850000       6.254000      0.6584000      -1.339000       1.025000
  1 1 1     -29  -13   14 o    2.275000      0.6769000       2.270000 0.9531000       2.281000      0.9615000     -0.1171000E-01   1.354000
  1 1 1     -29  -13   15 o    4.599000      0.6191000       4.639000 0.8824000       4.560000      0.8688000      0.7857000E-01   1.238000
  1 1 1     -29  -13   16 o    11.83000      0.3351000       11.62000 0.4709000       12.03000      0.4770000     -0.4119000      0.6703000
  1 1 1     -29  -13   17 o    7.376000      0.4257000       6.809000 0.6365000       7.943000      0.5654000      -1.135000      0.8514000
  1 1 1     -29  -13   18 o    3.386000      0.6974000       2.620000 0.9948000       4.152000      0.9777000      -1.532000       1.395000
  1 1 1     -29  -13   19 o    3.279000      0.7221000       3.532000 0.9987000       3.026000       1.043000      0.5064000       1.444000
  1 1 1     -29  -13   20 o    5.614000      0.5186000       5.600000 0.7230000       5.629000      0.7438000     -0.2906000E-01   1.037000
  1 1 1     -29  -13   21 o    4.479000      0.6332000       4.995000 0.8319000       3.962000      0.9548000       1.033000       1.266000
  1 1 1     -29  -13   22 o    4.069000      0.6772000       4.098000 0.9807000       4.040000      0.9342000      0.5773000E-01   1.354000
  1 1 1     -29  -13   23 o    3.732000      0.6868000       3.174000 1.015000       4.290000      0.9254000      -1.116000       1.374000
  1 1 1     -29  -12    1 o    4.519000      0.4785000       4.244000 0.6924000       4.794000      0.6608000     -0.5496000      0.9571000
  1 1 1     -29  -12    2 o    3.734000      0.5645000       3.581000 0.8070000       3.886000      0.7896000     -0.3055000       1.129000
  1 1 1     -29  -12    3 o    10.01000      0.2992000       9.757000 0.4210000       10.26000      0.4252000     -0.4984000      0.5983000
  1 1 1     -29  -12    4 o    3.151000      0.6208000       3.742000 0.8336000       2.561000      0.9201000       1.182000       1.242000
  1 1 1     -29  -12    5 o    2.609000      0.5932000       1.647000 0.7585000       3.570000      0.9123000      -1.923000       1.186000
  1 1 1     -29  -12    6 f    18.48000      0.3213000       18.46000 0.4502000       18.51000      0.4586000     -0.5250000E-01  0.6426000
  1 1 1     -29  -12    7 o    10.83000      0.3136000       10.87000 0.4295000       10.79000      0.4570000      0.7104000E-01  0.6271000
  1 1 1     -29  -12    8 o    10.66000      0.4212000       10.73000 0.6026000       10.60000      0.5887000      0.1305000      0.8424000
  1 1 1     -29  -12    9 o    6.804000      0.5662000       7.048000 0.7957000       6.559000      0.8059000      0.4892000       1.132000
  1 1 1     -29  -12   10 o    2.547000      0.6698000       2.812000 0.9679000       2.282000      0.9259000      0.5303000       1.340000
  1 1 1     -29  -12   11 o    13.10000      0.4481000       13.11000 0.6033000       13.08000      0.6626000      0.2958000E-01  0.8961000
  1 1 1     -29  -12   12 o    7.217000      0.5901000       7.140000 0.8032000       7.295000      0.8647000     -0.1550000       1.180000
  1 1 1     -29  -12   13 o    2.796000      0.7044000       2.293000 0.9449000       3.299000       1.045000      -1.006000       1.409000
  1 1 1     -29  -12   14 o    2.518000      0.7001000       2.774000 1.020000       2.261000      0.9594000      0.5125000       1.400000
  1 1 1     -29  -12   15 o    3.894000      0.6853000       3.396000 1.027000       4.392000      0.9079000     -0.9954000       1.371000
  1 1 1     -29  -12   16 o    9.088000      0.3642000       9.141000 0.5160000       9.036000      0.5142000      0.1047000      0.7285000
  1 1 1     -29  -12   17 o    13.99000      0.3232000       13.88000 0.4514000       14.10000      0.4628000     -0.2270000      0.6465000
  1 1 1     -29  -12   18 o    5.411000      0.5519000       5.682000 0.7320000       5.141000      0.8262000      0.5415000       1.104000
  1 1 1     -29  -12   19 f    5.111000      0.5761000       5.524000 0.7316000       4.699000      0.8902000      0.8242000       1.152000
  1 1 1     -29  -12   20 o    3.472000      0.7262000       3.163000 1.047000       3.780000       1.007000     -0.6168000       1.452000
  1 1 1     -29  -12   21 o    5.996000      0.4991000       5.709000 0.7535000       6.283000      0.6547000     -0.5736000      0.9982000
  1 1 1     -29  -12   22 o    3.190000      0.7157000       3.686000 1.017000       2.694000       1.007000      0.9916000       1.431000
  1 1 1     -29  -12   23 o    2.425000      0.6762000       2.705000 0.9904000       2.145000      0.9208000      0.5593000       1.352000
  1 1 1     -29  -11    1 o    7.413000      0.3249000       7.435000 0.4434000       7.392000      0.4751000      0.4245000E-01  0.6498000
  1 1 1     -29  -11    2 o    5.384000      0.4212000       5.391000 0.5814000       5.377000      0.6095000      0.1370000E-01  0.8423000
  1 1 1     -29  -11    3 o    9.804000      0.2951000       10.09000 0.4138000       9.521000      0.4208000      0.5656000      0.5901000
  1 1 1     -29  -11    4 o    1.818000      0.5620000       2.058000 0.8468000       1.579000      0.7392000      0.4788000       1.124000
  1 1 1     -29  -11    5 o    4.893000      0.4898000       4.717000 0.7011000       5.068000      0.6841000     -0.3510000      0.9795000
  1 1 1     -29  -11    6 f    19.34000      0.3290000       19.20000 0.4586000       19.48000      0.4719000     -0.2785000      0.6580000
  1 1 1     -29  -11    7 o    7.714000      0.4979000       7.714000 0.4979000                  ?              ?              ?              ?
  1 1 1     -29  -11    8 f    4.560000      0.7584000       4.306000 1.101000       4.814000       1.044000     -0.5086000       1.517000
  1 1 1     -29  -11    9 o    3.008000       1.106000                  ?       ?   3.008000       1.106000                  ?              ?
  1 1 1     -29  -11   10 f    4.051000      0.6270000       4.422000 0.8276000       3.681000      0.9421000      0.7418000       1.254000
  1 1 1     -29  -11   11 o    8.302000      0.5169000       8.771000 0.6680000       7.832000      0.7890000      0.9394000       1.034000
  1 1 1     -29  -11   12 o    6.110000      0.6833000       5.678000 0.9934000       6.543000      0.9386000     -0.8650000       1.367000
  1 1 1     -29  -11   13 o    4.344000      0.6291000       5.191000 0.7372000       3.497000       1.020000       1.694000       1.258000
  1 1 1     -29  -11   14 o    4.368000      0.6517000       4.845000 0.8516000       3.890000      0.9866000      0.9547000       1.303000
  1 1 1     -29  -11   15 o    2.792000      0.7244000       2.545000 1.008000       3.038000       1.040000     -0.4932000       1.449000
  1 1 1     -29  -11   16 o    2.357000      0.6716000       2.831000 1.028000       1.882000      0.8651000      0.9489000       1.343000
  1 1 1     -29  -11   17 o    16.51000      0.3283000       16.28000 0.4636000       16.73000      0.4649000     -0.4467000      0.6565000
  1 1 1     -29  -11   18 o    1.948000      0.6076000       2.352000 0.9571000       1.544000      0.7489000      0.8077000       1.215000
  1 1 1     -29  -11   19 o    3.885000      0.6816000       4.459000 0.8666000       3.311000       1.052000       1.148000       1.363000
  1 1 1     -29  -11   20 o    5.185000      0.5371000       5.455000 0.6996000       4.915000      0.8152000      0.5400000       1.074000
  1 1 1     -29  -11   21 o    2.707000      0.7094000       2.561000 0.9847000       2.854000       1.021000     -0.2926000       1.419000
  1 1 1     -29  -11   22 o    3.175000      0.7251000       3.408000 1.038000       2.941000       1.013000      0.4673000       1.450000
  1 1 1     -29  -11   23 f    2.810000      0.6958000       3.206000 1.002000       2.413000      0.9659000      0.7939000       1.392000
  1 1 1     -29  -10    1 o    7.127000      0.3398000       6.896000 0.4847000       7.358000      0.4765000     -0.4620000      0.6796000
  1 1 1     -29  -10    2 o    8.306000      0.3114000       8.133000 0.4311000       8.478000      0.4496000     -0.3454000      0.6228000
  1 1 1     -29  -10    3 o    7.266000      0.3417000       6.964000 0.4917000       7.568000      0.4745000     -0.6048000      0.6833000
  1 1 1     -29  -10    4 o    2.909000      0.6389000       3.008000 0.8951000       2.809000      0.9118000      0.1985000       1.278000
  1 1 1     -29  -10    5 o    5.951000      0.4021000       6.014000 0.5639000       5.888000      0.5734000      0.1263000      0.8042000
  1 1 1     -29  -10    6 o    14.63000      0.2986000       14.52000 0.4176000       14.74000      0.4270000     -0.2228000      0.5973000
  1 1 1     -29  -10    7 o    2.797000      0.9306000       2.797000 0.9306000                  ?              ?              ?              ?
  1 1 1     -29  -10    8 f    2.927000      0.7621000       2.812000 1.080000       3.042000       1.076000     -0.2297000       1.524000
  1 1 1     -29  -10    9 o    2.963000       1.080000                  ?       ?   2.963000       1.080000                  ?              ?
  1 1 1     -29  -10   10 f    2.419000      0.6628000       2.453000 0.9447000       2.385000      0.9300000      0.6750000E-01   1.326000
  1 1 1     -29  -10   11 o    8.667000      0.5010000       9.042000 0.6779000       8.292000      0.7379000      0.7497000       1.002000
  1 1 1     -29  -10   12 o    5.730000      0.6961000       5.080000 1.071000       6.380000      0.8894000      -1.300000       1.392000
  1 1 1     -29  -10   13 o    4.501000      0.5938000       4.045000 0.8838000       4.958000      0.7932000     -0.9124000       1.188000
  1 1 1     -29  -10   14 o    3.514000      0.6895000       3.010000 1.022000       4.019000      0.9263000      -1.009000       1.379000
  1 1 1     -29  -10   15 o    4.216000      0.6513000       3.638000 1.006000       4.794000      0.8271000      -1.156000       1.303000
  1 1 1     -29  -10   16 o    5.459000      0.5398000       4.804000 0.8646000       6.114000      0.6467000      -1.310000       1.080000
  1 1 1     -29  -10   17 o    8.322000      0.3835000       8.220000 0.5476000       8.424000      0.5370000     -0.2036000      0.7670000
  1 1 1     -29  -10   18 o    10.72000      0.3344000       10.97000 0.4720000       10.47000      0.4739000      0.4984000      0.6688000
  1 1 1     -29  -10   19 o    5.114000      0.5361000       5.354000 0.7196000       4.873000      0.7948000      0.4816000       1.072000
  1 1 1     -29  -10   20 o    1.976000      0.6152000       1.616000 0.7714000       2.337000      0.9585000     -0.7214000       1.230000
  1 1 1     -29  -10   21 o    2.417000      0.6779000       2.288000 0.9488000       2.545000      0.9685000     -0.2576000       1.356000
  1 1 1     -29  -10   22 o    3.166000      0.7015000       2.828000 1.013000       3.504000      0.9703000     -0.6756000       1.403000
  1 1 1     -29  -10   23 o    4.207000      0.6372000       3.967000 0.9587000       4.447000      0.8396000     -0.4799000       1.274000
  1 1 1     -29   -9    1 o    16.30000      0.2915000       16.30000 0.4119000       16.30000      0.4124000     -0.4354000E-02  0.5829000
  1 1 1     -29   -9    2 o    12.64000      0.2768000       12.88000 0.3890000       12.41000      0.3940000      0.4673000      0.5536000
  1 1 1     -29   -9    3 o    6.679000      0.3516000       7.148000 0.4754000       6.209000      0.5181000      0.9390000      0.7032000
  1 1 1     -29   -9    4 o    2.325000      0.6048000       2.725000 0.8946000       1.926000      0.8142000      0.7991000       1.210000
  1 1 1     -29   -9    5 o    8.798000      0.3052000       8.925000 0.4325000       8.671000      0.4308000      0.2537000      0.6104000
  1 1 1     -29   -9    6 o    10.40000      0.2982000       10.45000 0.4175000       10.36000      0.4260000      0.8582000E-01  0.5964000
  1 1 1     -29   -9    7 o    3.777000      0.6078000       3.608000 0.8878000       3.946000      0.8305000     -0.3377000       1.216000
  1 1 1     -29   -9    8 o    10.42000      0.4227000       10.57000 0.5982000       10.28000      0.5972000      0.2829000      0.8453000
  1 1 1     -29   -9    9 f    2.588000      0.7312000       2.128000 0.9688000       3.049000       1.095000     -0.9210000       1.462000
  1 1 1     -29   -9   10 o    1.959000      0.5844000       2.510000 0.9472000       1.407000      0.6847000       1.103000       1.169000
  1 1 1     -29   -9   11 o    7.202000      0.5540000       6.938000 0.8009000       7.466000      0.7656000     -0.5273000       1.108000
  1 1 1     -29   -9   12 o    3.974000      0.6587000       3.548000 1.010000       4.399000      0.8464000     -0.8512000       1.317000
  1 1 1     -29   -9   13 o    8.884000      0.3473000       8.651000 0.4915000       9.117000      0.4907000     -0.4657000      0.6945000
  1 1 1     -29   -9   14 o    3.567000      0.6972000       3.790000 0.9728000       3.343000      0.9992000      0.4465000       1.394000
  1 1 1     -29   -9   15 o    3.519000      0.6762000       2.893000 1.017000       4.145000      0.8920000      -1.252000       1.352000
  1 1 1     -29   -9   16 o    4.983000      0.5467000       5.258000 0.7479000       4.708000      0.7975000      0.5506000       1.093000
  1 1 1     -29   -9   17 o    2.131000      0.6423000       1.876000 0.8530000       2.385000      0.9605000     -0.5090000       1.285000
  1 1 1     -29   -9   18 o    5.981000      0.4933000       6.109000 0.6709000       5.853000      0.7234000      0.2560000      0.9866000
  1 1 1     -29   -9   19 o    3.441000      0.6900000       3.004000 0.9990000       3.878000      0.9520000     -0.8736000       1.380000
  1 1 1     -29   -9   20 o    3.705000      0.6821000       3.867000 0.9409000       3.543000      0.9878000      0.3244000       1.364000
  1 1 1     -29   -9   21 o    3.629000      0.6582000       3.355000 0.9746000       3.902000      0.8847000     -0.5467000       1.316000
  1 1 1     -29   -9   22 f    2.224000      0.6214000       1.606000 0.7700000       2.842000      0.9756000      -1.235000       1.243000
  1 1 1     -29   -9   23 o    4.618000      0.5696000       4.455000 0.8457000       4.781000      0.7633000     -0.3267000       1.139000
  1 1 1     -29   -8    1 o    5.896000      0.3635000       6.141000 0.4966000       5.651000      0.5310000      0.4901000      0.7271000
  1 1 1     -29   -8    2 o    7.939000      0.3086000       7.712000 0.4415000       8.166000      0.4311000     -0.4540000      0.6171000
  1 1 1     -29   -8    3 o    5.929000      0.3600000       5.647000 0.5206000       6.211000      0.4974000     -0.5643000      0.7200000
  1 1 1     -29   -8    4 o    1.977000      0.5774000       1.930000 0.8052000       2.025000      0.8278000     -0.9414000E-01   1.155000
  1 1 1     -29   -8    5 o    11.66000      0.2794000       11.50000 0.3974000       11.81000      0.3927000     -0.3039000      0.5587000
  1 1 1     -29   -8    6 o    4.435000      0.5029000       4.803000 0.6589000       4.068000      0.7598000      0.7352000       1.006000
  1 1 1     -29   -8    7 o    10.65000      0.3017000       10.84000 0.4220000       10.45000      0.4312000      0.3915000      0.6034000
  1 1 1     -29   -8    8 o    13.37000      0.4121000       14.21000 0.5897000       12.53000      0.5758000       1.679000      0.8242000
  1 1 1     -29   -8    9 o    2.946000      0.6575000       2.871000 0.9474000       3.021000      0.9118000     -0.1508000       1.315000
  1 1 1     -29   -8   10 o    4.347000      0.5721000       3.332000 0.9502000       5.363000      0.6372000      -2.031000       1.144000
  1 1 1     -29   -8   11 o    4.024000      0.8094000       3.695000 1.162000       4.353000       1.127000     -0.6576000       1.619000
  1 1 1     -29   -8   12 o    3.527000      0.6436000       3.306000 0.9375000       3.747000      0.8821000     -0.4411000       1.287000
  1 1 1     -29   -8   13 o    8.459000      0.3463000       8.746000 0.4861000       8.173000      0.4933000      0.5725000      0.6925000
  1 1 1     -29   -8   14 o    2.409000      0.6712000       2.437000 0.9527000       2.381000      0.9456000      0.5579000E-01   1.342000
  1 1 1     -29   -8   15 o    8.363000      0.3647000       8.085000 0.5327000       8.640000      0.4984000     -0.5550000      0.7295000
  1 1 1     -29   -8   16 o    8.372000      0.3543000       8.263000 0.4967000       8.480000      0.5055000     -0.2176000      0.7087000
  1 1 1     -29   -8   17 f    3.716000      0.6546000       4.014000 0.8709000       3.419000      0.9775000      0.5946000       1.309000
  1 1 1     -29   -8   18 o    4.415000      0.5864000       4.522000 0.8049000       4.307000      0.8531000      0.2144000       1.173000
  1 1 1     -29   -8   19 o    4.344000      0.5869000       4.670000 0.7885000       4.017000      0.8695000      0.6527000       1.174000
  1 1 1     -29   -8   20 o    5.696000      0.4529000       5.844000 0.6538000       5.549000      0.6270000      0.2948000      0.9059000
  1 1 1     -29   -8   21 o    2.243000      0.6601000       2.320000 0.9546000       2.166000      0.9118000      0.1540000       1.320000
  1 1 1     -29   -8   22 o    4.851000      0.5675000       4.250000 0.8984000       5.452000      0.6935000      -1.202000       1.135000
  1 1 1     -29   -8   23 o    3.942000      0.6514000       3.956000 0.9161000       3.929000      0.9262000      0.2689000E-01   1.303000
  1 1 1     -29   -7    1 o    13.88000      0.2752000       13.61000 0.3862000       14.15000      0.3920000     -0.5356000      0.5503000
  1 1 1     -29   -7    2 o    12.62000      0.2741000       12.47000 0.3850000       12.77000      0.3902000     -0.3083000      0.5482000
  1 1 1     -29   -7    3 o    9.220000      0.2824000       8.967000 0.4048000       9.473000      0.3939000     -0.5066000      0.5648000
  1 1 1     -29   -7    4 o    5.306000      0.3988000       5.417000 0.5700000       5.195000      0.5579000      0.2223000      0.7976000
  1 1 1     -29   -7    5 f    10.51000      0.2846000       10.48000 0.3996000       10.54000      0.4054000     -0.5911000E-01  0.5692000
  1 1 1     -29   -7    6 o    3.657000      0.5701000       2.823000 0.8802000       4.490000      0.7249000      -1.667000       1.140000
  1 1 1     -29   -7    7 o    1.712000      0.5498000       1.657000 0.7548000       1.767000      0.7997000     -0.1096000       1.100000
  1 1 1     -29   -7    8 o    6.329000      0.5007000       6.628000 0.7056000       6.030000      0.7105000      0.5986000       1.001000
  1 1 1     -29   -7    9 o    9.218000      0.3179000       8.701000 0.4571000       9.736000      0.4420000      -1.035000      0.6358000
  1 1 1     -29   -7   10 o    2.410000      0.6349000       2.655000 0.9073000       2.166000      0.8883000      0.4891000       1.270000
  1 1 1     -29   -7   11 o    10.06000      0.4501000       9.932000 0.6315000       10.18000      0.6414000     -0.2455000      0.9001000
  1 1 1     -29   -7   12 o    6.064000      0.4129000       5.948000 0.6008000       6.181000      0.5667000     -0.2333000      0.8259000
  1 1 1     -29   -7   13 o    3.753000      0.6255000       3.802000 0.8808000       3.703000      0.8883000      0.9844000E-01   1.251000
  1 1 1     -29   -7   14 o    8.015000      0.3502000       7.955000 0.5072000       8.076000      0.4829000     -0.1213000      0.7003000
  1 1 1     -29   -7   15 o    2.004000      0.6201000       2.120000 0.9078000       1.889000      0.8451000      0.2302000       1.240000
  1 1 1     -29   -7   16 o    7.523000      0.3699000       7.374000 0.5295000       7.671000      0.5167000     -0.2972000      0.7398000
  1 1 1     -29   -7   17 o    4.802000      0.5446000       5.499000 0.6523000       4.105000      0.8722000       1.394000       1.089000
  1 1 1     -29   -7   18 o    6.270000      0.4504000       6.843000 0.5873000       5.697000      0.6831000       1.146000      0.9009000
  1 1 1     -29   -7   19 o    2.626000      0.6977000       2.689000 1.007000       2.562000      0.9657000      0.1274000       1.395000
  1 1 1     -29   -7   20 o    2.973000      0.6674000       3.602000 0.9428000       2.343000      0.9449000       1.259000       1.335000
  1 1 1     -29   -7   21 o    4.931000      0.5483000       4.412000 0.8635000       5.449000      0.6758000      -1.037000       1.097000
  1 1 1     -29   -7   22 o    3.242000      0.6729000       3.456000 0.9500000       3.029000      0.9532000      0.4276000       1.346000
  1 1 1     -29   -7   23 o    2.596000      0.6893000       2.282000 0.9387000       2.910000       1.010000     -0.6274000       1.379000
  1 1 1     -29   -6    1 o    7.088000      0.3149000       7.223000 0.4325000       6.952000      0.4577000      0.2709000      0.6298000
  1 1 1     -29   -6    2 o    4.960000      0.4201000       4.898000 0.6116000       5.021000      0.5762000     -0.1224000      0.8403000
  1 1 1     -29   -6    3 o    6.748000      0.3286000       6.959000 0.4513000       6.538000      0.4776000      0.4210000      0.6571000
  1 1 1     -29   -6    4 o    9.442000      0.2926000       9.683000 0.4181000       9.202000      0.4095000      0.4808000      0.5853000
  1 1 1     -29   -6    5 o    9.225000      0.2979000       8.979000 0.4252000       9.470000      0.4173000     -0.4907000      0.5958000
  1 1 1     -29   -6    6 o    9.456000      0.3042000       9.515000 0.4222000       9.398000      0.4380000      0.1175000      0.6084000
  1 1 1     -29   -6    7 o    7.041000      0.4940000       6.652000 0.7409000       7.430000      0.6536000     -0.7777000      0.9880000
  1 1 1     -29   -6    8 o    4.845000      0.9559000       4.845000 0.9559000                  ?              ?              ?              ?
  1 1 1     -29   -6    9 o    11.02000      0.2989000       10.97000 0.4242000       11.07000      0.4212000     -0.1018000      0.5978000
  1 1 1     -29   -6   10 o    4.238000       1.109000                  ?       ?   4.238000       1.109000                  ?              ?
  1 1 1     -29   -6   11 o    6.969000      0.5518000       6.645000 0.7961000       7.292000      0.7642000     -0.6472000       1.104000
  1 1 1     -29   -6   12 o    3.179000      0.6423000       2.474000 0.9408000       3.883000      0.8748000      -1.409000       1.285000
  1 1 1     -29   -6   13 o    4.251000      0.5788000       5.129000 0.6892000       3.373000      0.9301000       1.756000       1.158000
  1 1 1     -29   -6   14 o    7.338000      0.3838000       6.768000 0.5712000       7.908000      0.5127000      -1.139000      0.7675000
  1 1 1     -29   -6   15 o    5.273000      0.5048000       5.502000 0.7017000       5.044000      0.7259000      0.4581000       1.010000
  1 1 1     -29   -6   16 o    3.850000      0.6447000       3.985000 0.8654000       3.715000      0.9558000      0.2700000       1.289000
  1 1 1     -29   -6   17 o    2.123000      0.6322000       2.277000 0.9184000       1.968000      0.8690000      0.3085000       1.264000
  1 1 1     -29   -6   18 o    8.386000      0.3559000       8.485000 0.4904000       8.287000      0.5159000      0.1979000      0.7117000
  1 1 1     -29   -6   19 f    4.792000      0.5384000       4.347000 0.8374000       5.238000      0.6768000     -0.8906000       1.077000
  1 1 1     -29   -6   20 o    5.270000      0.4848000       5.080000 0.6952000       5.461000      0.6760000     -0.3813000      0.9697000
  1 1 1     -29   -6   21 o    6.284000      0.4471000       6.290000 0.6264000       6.277000      0.6382000      0.1281000E-01  0.8943000
  1 1 1     -29   -6   22 o    3.988000      0.6238000       3.879000 0.9148000       4.097000      0.8482000     -0.2175000       1.248000
  1 1 1     -29   -5    1 o    1.801000      0.5455000       1.986000 0.8136000       1.617000      0.7270000      0.3687000       1.091000
  1 1 1     -29   -5    2 o    12.77000      0.2726000       12.92000 0.3862000       12.62000      0.3848000      0.2986000      0.5452000
  1 1 1     -29   -5    3 o    7.331000      0.3217000       7.555000 0.4415000       7.106000      0.4681000      0.4481000      0.6434000
  1 1 1     -29   -5    4 o    8.417000      0.3020000       8.350000 0.4342000       8.484000      0.4199000     -0.1339000      0.6040000
  1 1 1     -29   -5    5 o    3.050000      0.6008000       2.542000 0.8949000       3.557000      0.8020000      -1.015000       1.202000
  1 1 1     -29   -5    6 o    3.086000      0.6132000       2.549000 0.8991000       3.623000      0.8342000      -1.074000       1.226000
  1 1 1     -29   -5    7 f    8.479000      0.4234000       8.836000 0.5919000       8.123000      0.6054000      0.7127000      0.8467000
  1 1 1     -29   -5    8 o    3.005000      0.6201000       2.660000 0.9371000       3.349000      0.8125000     -0.6887000       1.240000
  1 1 1     -29   -5    9 o    9.172000      0.3226000       8.858000 0.4687000       9.485000      0.4435000     -0.6277000      0.6452000
  1 1 1     -29   -5   10 o    4.321000       1.075000                  ?       ?   4.321000       1.075000                  ?              ?
  1 1 1     -29   -5   11 o    2.496000      0.6500000       2.321000 0.9191000       2.671000      0.9194000     -0.3502000       1.300000
  1 1 1     -29   -5   12 o    7.999000      0.3442000       8.570000 0.4765000       7.427000      0.4969000       1.143000      0.6884000
  1 1 1     -29   -5   13 o    7.809000      0.3382000       8.150000 0.4659000       7.468000      0.4904000      0.6818000      0.6765000
  1 1 1     -29   -5   14 o    6.860000      0.3771000       6.508000 0.5551000       7.211000      0.5104000     -0.7032000      0.7541000
  1 1 1     -29   -5   15 o    6.254000      0.3923000       6.417000 0.5547000       6.091000      0.5549000      0.3259000      0.7847000
  1 1 1     -29   -5   16 o    5.752000      0.4456000       6.181000 0.5940000       5.322000      0.6643000      0.8591000      0.8911000
  1 1 1     -29   -5   17 o    4.028000      0.6247000       3.423000 0.9579000       4.633000      0.8023000      -1.210000       1.249000
  1 1 1     -29   -5   18 o    3.806000      0.6504000       4.176000 0.8583000       3.435000      0.9773000      0.7411000       1.301000
  1 1 1     -29   -5   19 o    4.898000      0.5664000       6.242000 0.6159000       3.554000      0.9507000       2.689000       1.133000
  1 1 1     -29   -5   20 o    4.989000      0.5161000       4.965000 0.7181000       5.012000      0.7415000     -0.4641000E-01   1.032000
  1 1 1     -29   -5   21 o    5.149000      0.5047000       4.966000 0.7345000       5.333000      0.6924000     -0.3669000       1.009000
  1 1 1     -29   -5   22 o    1.867000      0.5830000       2.195000 0.9074000       1.539000      0.7321000      0.6559000       1.166000
  1 1 1     -29   -4    1 o    6.514000      0.3351000       6.777000 0.4575000       6.251000      0.4897000      0.5263000      0.6701000
  1 1 1     -29   -4    2 o    16.18000      0.2900000       16.02000 0.4074000       16.34000      0.4128000     -0.3216000      0.5800000
  1 1 1     -29   -4    3 o    2.486000      0.6091000       2.421000 0.8728000       2.551000      0.8498000     -0.1301000       1.218000
  1 1 1     -29   -4    4 o    2.976000      0.5679000       2.151000 0.8608000       3.801000      0.7410000      -1.650000       1.136000
  1 1 1     -29   -4    5 o    10.68000      0.2832000       10.78000 0.4054000       10.57000      0.3956000      0.2138000      0.5665000
  1 1 1     -29   -4    6 o    4.443000      0.4845000       4.593000 0.6493000       4.293000      0.7194000      0.2998000      0.9690000
  1 1 1     -29   -4    7 o    11.67000      0.3995000       11.94000 0.5735000       11.40000      0.5564000      0.5348000      0.7991000
  1 1 1     -29   -4    8 o    5.507000      0.4278000       5.174000 0.6480000       5.839000      0.5589000     -0.6651000      0.8557000
  1 1 1     -29   -4    9 o    5.660000      0.6689000       6.122000 0.8910000       5.198000      0.9979000      0.9247000       1.338000
  1 1 1     -29   -4   10 o    3.442000      0.8130000       3.782000 1.138000       3.101000       1.161000      0.6801000       1.626000
  1 1 1     -29   -4   11 o    5.324000      0.4755000       4.985000 0.7126000       5.663000      0.6297000     -0.6774000      0.9510000
  1 1 1     -29   -4   12 o    10.29000      0.3090000       10.38000 0.4441000       10.19000      0.4298000      0.1929000      0.6180000
  1 1 1     -29   -4   13 o    8.785000      0.3172000       8.651000 0.4541000       8.919000      0.4432000     -0.2676000      0.6345000
  1 1 1     -29   -4   14 o    9.171000      0.3199000       9.203000 0.4535000       9.140000      0.4515000      0.6263000E-01  0.6399000
  1 1 1     -29   -4   15 o    7.474000      0.3596000       7.704000 0.4926000       7.244000      0.5240000      0.4602000      0.7192000
  1 1 1     -29   -4   16 o    5.582000      0.4595000       4.996000 0.7084000       6.168000      0.5855000      -1.172000      0.9191000
  1 1 1     -29   -4   17 o    2.240000      0.6301000       2.094000 0.8669000       2.386000      0.9146000     -0.2921000       1.260000
  1 1 1     -29   -4   18 o    2.030000      0.6090000       1.963000 0.8448000       2.098000      0.8773000     -0.1353000       1.218000
  1 1 1     -29   -4   19 o    2.624000      0.6617000       2.810000 0.9391000       2.437000      0.9324000      0.3731000       1.323000
  1 1 1     -29   -4   20 o    2.647000      0.5943000       3.634000 0.9045000       1.660000      0.7711000       1.974000       1.189000
  1 1 1     -29   -4   21 o    2.252000      0.6424000       2.458000 0.9404000       2.047000      0.8754000      0.4117000       1.285000
  1 1 1     -29   -3    1 o    7.458000      0.2975000       7.262000 0.4251000       7.654000      0.4162000     -0.3917000      0.5949000
  1 1 1     -29   -3    2 o    4.617000      0.4330000       4.046000 0.6788000       5.187000      0.5379000      -1.141000      0.8661000
  1 1 1     -29   -3    3 o    9.207000      0.2877000       9.370000 0.3976000       9.044000      0.4160000      0.3252000      0.5755000
  1 1 1     -29   -3    4 o    6.011000      0.3576000       5.880000 0.5027000       6.142000      0.5086000     -0.2620000      0.7151000
  1 1 1     -29   -3    5 o    6.023000      0.3830000       5.908000 0.5398000       6.139000      0.5434000     -0.2302000      0.7659000
  1 1 1     -29   -3    6 o    6.272000      0.4807000       6.215000 0.6638000       6.329000      0.6954000     -0.1138000      0.9614000
  1 1 1     -29   -3    7 o    6.012000      0.3867000       6.451000 0.5120000       5.573000      0.5796000      0.8776000      0.7734000
  1 1 1     -29   -3    8 o    6.981000      0.3562000       7.339000 0.4905000       6.624000      0.5167000      0.7155000      0.7124000
  1 1 1     -29   -3    9 o    4.777000      0.7511000       4.406000 1.107000       5.149000       1.015000     -0.7431000       1.502000
  1 1 1     -29   -3   10 o    3.655000      0.5842000       4.550000 0.7110000       2.761000      0.9271000       1.789000       1.168000
  1 1 1     -29   -3   11 o    2.267000      0.6364000       2.554000 0.9410000       1.980000      0.8571000      0.5742000       1.273000
  1 1 1     -29   -3   12 o    3.056000      0.6378000       3.437000 0.9236000       2.674000      0.8798000      0.7634000       1.276000
  1 1 1     -29   -3   13 f    2.209000      0.5891000       1.643000 0.7634000       2.775000      0.8974000      -1.132000       1.178000
  1 1 1     -29   -3   14 o    5.377000      0.4504000       5.945000 0.5950000       4.809000      0.6763000       1.137000      0.9008000
  1 1 1     -29   -3   15 o    4.170000      0.5726000       3.825000 0.8015000       4.514000      0.8179000     -0.6885000       1.145000
  1 1 1     -29   -3   16 o    7.260000      0.3710000       7.842000 0.5006000       6.679000      0.5478000       1.163000      0.7421000
  1 1 1     -29   -3   17 o    5.993000      0.4326000       6.183000 0.5951000       5.802000      0.6279000      0.3813000      0.8651000
  1 1 1     -29   -3   18 o    3.692000      0.6128000       2.839000 0.9609000       4.546000      0.7608000      -1.707000       1.226000
  1 1 1     -29   -3   19 o    3.634000      0.6515000       3.413000 0.9514000       3.854000      0.8901000     -0.4415000       1.303000
  1 1 1     -29   -3   20 o    2.620000      0.6742000       2.699000 0.9722000       2.542000      0.9342000      0.1573000       1.348000
  1 1 1     -29   -3   21 o    2.333000      0.6118000       3.043000 0.9614000       1.623000      0.7568000       1.420000       1.224000
  1 1 1     -29   -2    1 o    2.467000      0.5538000       1.853000 0.7784000       3.080000      0.7879000      -1.227000       1.108000
  1 1 1     -29   -2    2 o    8.783000      0.2836000       8.763000 0.4031000       8.803000      0.3992000     -0.4007000E-01  0.5673000
  1 1 1     -29   -2    3 o    3.356000      0.5766000       3.434000 0.8169000       3.278000      0.8138000      0.1555000       1.153000
  1 1 1     -29   -2    4 o    2.626000      0.6071000       2.138000 0.8498000       3.114000      0.8672000     -0.9764000       1.214000
  1 1 1     -29   -2    5 o    6.049000      0.4842000       6.729000 0.6315000       5.369000      0.7342000       1.360000      0.9684000
  1 1 1     -29   -2    6 o    3.246000      0.6896000       4.098000 0.9728000       2.393000      0.9775000       1.704000       1.379000
  1 1 1     -29   -2    7 o    1.585000      0.5169000       1.643000 0.7463000       1.527000      0.7153000      0.1157000       1.034000
  1 1 1     -29   -2    8 o    7.605000      0.5003000       7.777000 0.6746000       7.433000      0.7390000      0.3446000       1.001000
  1 1 1     -29   -2    9 o    6.187000      0.8053000       6.187000 0.8053000                  ?              ?              ?              ?
  1 1 1     -29   -2   10 o    2.300000      0.6202000       2.513000 0.8868000       2.086000      0.8674000      0.4266000       1.240000
  1 1 1     -29   -2   11 o    8.787000      0.4632000                  ?       ?   8.787000      0.4632000                  ?              ?
  1 1 1     -29   -2   12 o    2.526000      0.6559000       2.775000 0.9719000       2.277000      0.8811000      0.4982000       1.312000
  1 1 1     -29   -2   13 o    2.553000      0.6376000       2.918000 0.9387000       2.189000      0.8631000      0.7289000       1.275000
  1 1 1     -29   -2   14 f    2.440000      0.6554000       2.422000 0.9317000       2.459000      0.9220000     -0.3672000E-01   1.311000
  1 1 1     -29   -2   15 o    3.719000      0.6300000       3.679000 0.8915000       3.758000      0.8903000     -0.7904000E-01   1.260000
  1 1 1     -29   -2   16 o    6.757000      0.3854000       6.815000 0.5174000       6.699000      0.5713000      0.1157000      0.7707000
  1 1 1     -29   -2   17 o    6.836000      0.3947000       6.395000 0.5853000       7.278000      0.5297000     -0.8830000      0.7894000
  1 1 1     -29   -2   18 o    5.356000      0.4996000       5.651000 0.6556000       5.062000      0.7541000      0.5893000      0.9993000
  1 1 1     -29   -2   19 o    5.477000      0.4518000       5.747000 0.6391000       5.206000      0.6387000      0.5413000      0.9036000
  1 1 1     -29   -2   20 o    2.351000      0.6424000       2.159000 0.9034000       2.543000      0.9135000     -0.3839000       1.285000
  1 1 1     -29   -1    1 o    5.355000      0.3819000       5.480000 0.5442000       5.231000      0.5360000      0.2491000      0.7639000
  1 1 1     -29   -1    2 o    7.096000      0.3245000       7.366000 0.4471000       6.825000      0.4703000      0.5404000      0.6489000
  1 1 1     -29   -1    3 o    10.07000      0.2865000       9.963000 0.4144000       10.17000      0.3956000     -0.2113000      0.5730000
  1 1 1     -29   -1    4 o    3.491000      0.5635000       3.016000 0.8559000       3.966000      0.7333000     -0.9501000       1.127000
  1 1 1     -29   -1    5 f    3.902000      0.6656000       4.822000 0.8717000       2.983000       1.006000       1.839000       1.331000
  1 1 1     -29   -1    6 o    5.900000      0.3839000       6.398000 0.5006000       5.402000      0.5820000      0.9965000      0.7677000
  1 1 1     -29   -1    7 f    10.03000      0.2897000       10.19000 0.4166000       9.875000      0.4026000      0.3168000      0.5794000
  1 1 1     -29   -1    8 o    12.12000      0.4328000       12.23000 0.5891000       12.01000      0.6343000      0.2250000      0.8657000
  1 1 1     -29   -1    9 f    3.556000      0.8096000       3.556000 0.8096000                  ?              ?              ?              ?
  1 1 1     -29   -1   10 o    9.907000      0.3065000       10.01000 0.4377000       9.801000      0.4292000      0.2107000      0.6131000
  1 1 1     -29   -1   11 o    8.583000      0.3767000       8.536000 0.5911000       8.629000      0.4670000     -0.9276000E-01  0.7533000
  1 1 1     -29   -1   12 o    5.165000      0.4270000       4.908000 0.6467000       5.423000      0.5576000     -0.5147000      0.8539000
  1 1 1     -29   -1   13 o    3.649000      0.6277000       4.200000 0.8506000       3.099000      0.9234000       1.101000       1.255000
  1 1 1     -29   -1   14 o    2.235000      0.6395000       2.396000 0.9287000       2.075000      0.8794000      0.3206000       1.279000
  1 1 1     -29   -1   15 o    4.316000      0.5469000       3.995000 0.8365000       4.638000      0.7048000     -0.6430000       1.094000
  1 1 1     -29   -1   16 o    2.484000      0.6406000       2.844000 0.9334000       2.124000      0.8776000      0.7196000       1.281000
  1 1 1     -29   -1   17 o    3.917000      0.5479000       4.427000 0.6675000       3.407000      0.8691000       1.020000       1.096000
  1 1 1     -29   -1   18 o    4.914000      0.5175000       4.658000 0.7702000       5.169000      0.6914000     -0.5107000       1.035000
  1 1 1     -29   -1   19 o    2.835000      0.6535000       2.772000 0.9257000       2.899000      0.9226000     -0.1277000       1.307000
  1 1 1     -29    0    1 o    5.313000      0.4146000       4.849000 0.5780000       5.778000      0.5947000     -0.9293000      0.8293000
  1 1 1     -29    0    2 o    4.770000      0.5683000       5.080000 0.5819000       4.459000      0.9764000      0.6217000       1.137000
  1 1 1     -29    0    3 o    2.816000      0.5768000       2.309000 0.8676000       3.323000      0.7601000      -1.014000       1.154000
  1 1 1     -29    0    4 o    1.977000      0.6180000       1.858000 0.8525000       2.095000      0.8950000     -0.2375000       1.236000
  1 1 1     -29    0    5 o    6.587000      0.3412000       6.545000 0.4911000       6.630000      0.4737000     -0.8524000E-01  0.6823000
  1 1 1     -29    0    6 o    7.618000      0.3059000       8.299000 0.4295000       6.937000      0.4358000       1.362000      0.6119000
  1 1 1     -29    0    7 o    14.28000      0.4191000       13.84000 0.5786000       14.73000      0.6066000     -0.8879000      0.8383000
  1 1 1     -29    0    8 o    9.940000      0.2928000       10.01000 0.4159000       9.865000      0.4124000      0.1499000      0.5857000
  1 1 1     -29    0    9 o    4.586000      0.5077000       5.403000 0.6123000       3.769000      0.8100000       1.634000       1.015000
  1 1 1     -29    0   10 o    8.240000      0.3199000       8.276000 0.4488000       8.204000      0.4561000      0.7288000E-01  0.6399000
  1 1 1     -29    0   11 o    3.316000      0.6307000       3.661000 0.8846000       2.971000      0.8991000      0.6907000       1.261000
  1 1 1     -29    0   12 o    2.697000      0.6380000       2.820000 0.9213000       2.575000      0.8827000      0.2447000       1.276000
  1 1 1     -29    0   13 o    3.466000      0.6253000       3.832000 0.8819000       3.100000      0.8869000      0.7320000       1.251000
  1 1 1     -29    0   14 o    4.625000      0.4973000       4.427000 0.7296000       4.823000      0.6760000     -0.3963000      0.9946000
  1 1 1     -29    0   15 o    2.257000      0.5745000       2.831000 0.8608000       1.683000      0.7610000       1.148000       1.149000
  1 1 1     -29    0   16 o    3.440000      0.6444000       3.091000 0.9146000       3.788000      0.9081000     -0.6972000       1.289000
  1 1 1     -29    0   17 o    3.720000      0.5944000       4.101000 0.7842000       3.339000      0.8936000      0.7614000       1.189000
  1 1 1     -29    0   18 o    4.489000      0.5532000       4.195000 0.8399000       4.782000      0.7201000     -0.5872000       1.106000
  1 1 1     -29    0   19 o    2.389000      0.6643000       2.589000 0.9193000       2.189000      0.9591000      0.3997000       1.329000
  1 1 1     -29    1    1 o    7.813000      0.3248000       7.494000 0.4196000       8.132000      0.4959000     -0.6384000      0.6496000
  1 1 1     -29    1    2 o    3.230000      0.5680000       2.001000 0.8112000       4.459000      0.7952000      -2.459000       1.136000
  1 1 1     -29    1    3 o    2.257000      0.6917000       2.409000 0.9689000       2.104000      0.9875000      0.3053000       1.383000
  1 1 1     -29    1    4 o    5.342000      0.4187000       5.344000 0.5436000       5.340000      0.6371000      0.3415000E-02  0.8375000
  1 1 1     -29    1    5 o    5.281000      0.4453000       5.355000 0.5671000       5.207000      0.6868000      0.1481000      0.8906000
  1 1 1     -29    1    6 o    7.180000      0.5069000       7.656000 0.6470000       6.704000      0.7806000      0.9520000       1.014000
  1 1 1     -29    1    7 o    3.409000      0.7079000       3.135000 0.8972000       3.684000       1.095000     -0.5495000       1.416000
  1 1 1     -29    1    8 o    10.05000      0.2929000       10.14000 0.4103000       9.952000      0.4180000      0.1862000      0.5857000
  1 1 1     -29    1    9 o    9.525000      0.2952000       9.136000 0.4374000       9.914000      0.3966000     -0.7779000      0.5904000
  1 1 1     -29    1   10 o    3.781000      0.5884000       3.393000 0.8849000       4.170000      0.7757000     -0.7771000       1.177000
  1 1 1     -29    1   11 o    7.145000      0.3276000       7.323000 0.4663000       6.967000      0.4603000      0.3552000      0.6552000
  1 1 1     -29    1   12 o    2.061000      0.5640000       1.354000 0.6619000       2.768000      0.9134000      -1.414000       1.128000
  1 1 1     -29    1   13 o    3.752000      0.5638000       4.263000 0.7260000       3.242000      0.8628000       1.021000       1.128000
  1 1 1     -29    1   14 o    2.995000      0.6423000       2.996000 0.8883000       2.993000      0.9280000      0.3922000E-02   1.285000
  1 1 1     -29    1   15 o    1.929000      0.5856000       1.980000 0.8383000       1.879000      0.8178000      0.1014000       1.171000
  1 1 1     -29    1   16 o    5.775000      0.4200000       5.898000 0.5803000       5.653000      0.6072000      0.2448000      0.8400000
  1 1 1     -29    1   17 o    4.727000      0.4679000       4.276000 0.7264000       5.177000      0.5902000     -0.9016000      0.9359000
  1 1 1     -29    1   18 o    2.104000      0.6267000       2.060000 0.8838000       2.149000      0.8889000     -0.8941000E-01   1.253000
  1 1 1     -29    2    1 o    2.804000      0.6410000       2.944000 0.8441000       2.664000      0.9649000      0.2792000       1.282000
  1 1 1     -29    2    2 o    2.246000      0.7089000       2.007000 0.8929000       2.485000       1.101000     -0.4785000       1.418000
  1 1 1     -29    2    3 o    2.875000      0.7404000       3.084000 0.9594000       2.667000       1.128000      0.4172000       1.481000
  1 1 1     -29    2    4 o    7.441000      0.3528000       8.322000 0.4111000       6.559000      0.5735000       1.762000      0.7057000
  1 1 1     -29    2    5 o    9.529000      0.4228000       9.088000 0.5941000       9.969000      0.6016000     -0.8811000      0.8456000
  1 1 1     -29    2    6 o    5.507000      0.5929000       4.693000 0.9141000       6.321000      0.7552000      -1.627000       1.186000
  1 1 1     -29    2    7 o    3.045000      0.6802000       2.898000 0.9170000       3.191000       1.005000     -0.2931000       1.360000
  1 1 1     -29    2    8 o    8.562000      0.3337000       8.862000 0.4148000       8.262000      0.5228000      0.6005000      0.6673000
  1 1 1     -29    2    9 o    5.363000      0.4695000       5.703000 0.4993000       5.023000      0.7952000      0.6800000      0.9390000
  1 1 1     -29    2   10 o    1.870000      0.8109000       1.870000 0.8109000                  ?              ?              ?              ?
  1 1 1     -29    2   11 o    4.062000      0.5728000       4.149000 0.6923000       3.974000      0.9128000      0.1751000       1.146000
  1 1 1     -29    2   12 o    4.824000      0.7344000                  ?       ?   4.824000      0.7344000                  ?              ?
  1 1 1     -29    2   13 o    6.879000      0.3662000       6.754000 0.5093000       7.005000      0.5263000     -0.2506000      0.7324000
  1 1 1     -29    2   14 o    3.530000      0.7252000       3.564000 0.9071000       3.496000       1.132000      0.6835000E-01   1.450000
  1 1 1     -29    2   15 o    3.918000      0.6416000       4.299000 0.6969000       3.538000       1.078000      0.7610000       1.283000
  1 1 1     -29    2   16 o    7.003000      0.3639000       6.702000 0.5377000       7.304000      0.4904000     -0.6021000      0.7278000
  1 1 1     -29    2   17 o    2.826000      0.6596000       2.949000 0.9646000       2.703000      0.8998000      0.2464000       1.319000
  1 1 1     -29    3    1 o    4.047000      0.6790000       4.857000 0.7333000       3.237000       1.143000       1.620000       1.358000
  1 1 1     -29    3    2 o    2.073000      0.6422000       2.276000 0.9264000       1.870000      0.8898000      0.4067000       1.284000
  1 1 1     -29    3    3 o    3.196000      0.6158000       2.667000 0.8369000       3.724000      0.9036000      -1.057000       1.232000
  1 1 1     -29    3    4 o    3.769000      0.7498000       3.380000 1.046000       4.158000       1.074000     -0.7780000       1.500000
  1 1 1     -29    3    5 o    4.604000      0.6643000       4.025000 1.002000       5.184000      0.8729000      -1.159000       1.329000
  1 1 1     -29    3    6 o    3.429000      0.6247000       3.231000 0.7891000       3.627000      0.9687000     -0.3960000       1.249000
  1 1 1     -29    3    7 f    2.157000      0.6072000       1.706000 0.7701000       2.607000      0.9390000     -0.9010000       1.214000
  1 1 1     -29    3    8 o    1.887000      0.5737000       1.768000 0.7656000       2.007000      0.8546000     -0.2385000       1.147000
  1 1 1     -29    3    9 o    2.058000      0.5821000       1.363000 0.6536000       2.754000      0.9635000      -1.391000       1.164000
  1 1 1     -29    3   10 o    2.748000      0.8566000       2.748000 0.8566000                  ?              ?              ?              ?
  1 1 1     -29    3   11 o    2.394000      0.6427000       2.116000 0.8708000       2.673000      0.9456000     -0.5578000       1.285000
  1 1 1     -29    3   12 o    4.606000      0.7171000                  ?       ?   4.606000      0.7171000                  ?              ?
  1 1 1     -29    3   13 o    2.901000      0.5910000       1.934000 0.8362000       3.868000      0.8353000      -1.934000       1.182000
  1 1 1     -29    3   14 o    2.900000      0.5924000       3.791000 0.8230000       2.008000      0.8523000       1.783000       1.185000
  1 1 1     -29    3   15 o    6.335000      0.3666000       6.606000 0.5136000       6.064000      0.5231000      0.5416000      0.7331000
  1 1 1     -29    3   16 o    3.515000       1.104000                  ?       ?   3.515000       1.104000                  ?              ?
  1 1 1     -29    4    1 o    2.581000      0.6422000       2.794000 0.7733000       2.369000       1.026000      0.4250000       1.284000
  1 1 1     -29    4    2 o    8.973000      0.3015000       9.092000 0.3903000       8.855000      0.4596000      0.2371000      0.6030000
  1 1 1     -29    4    3 o    5.057000      0.6039000       5.345000 0.7549000       4.768000      0.9429000      0.5769000       1.208000
  1 1 1     -29    4    4 o    4.837000      0.6726000       5.530000 0.7826000       4.143000       1.094000       1.387000       1.345000
  1 1 1     -29    4    5 o    5.210000      0.4518000       5.697000 0.5153000       4.722000      0.7423000      0.9758000      0.9036000
  1 1 1     -29    4    6 o    2.406000      0.6222000       2.532000 0.8331000       2.279000      0.9244000      0.2536000       1.244000
  1 1 1     -29    4    7 o    2.077000      0.5989000       1.781000 0.7732000       2.372000      0.9148000     -0.5908000       1.198000
  1 1 1     -29    4    8 f    2.060000      0.5908000       2.114000 0.8226000       2.006000      0.8482000      0.1078000       1.182000
  1 1 1     -29    4    9 o    3.514000      0.6186000       3.042000 0.8936000       3.987000      0.8558000     -0.9447000       1.237000
  1 1 1     -29    4   10 o    2.435000      0.6316000       2.396000 0.8792000       2.475000      0.9069000     -0.7851000E-01   1.263000
  1 1 1     -29    4   11 o    1.857000      0.5753000       1.727000 0.7756000       1.987000      0.8500000     -0.2601000       1.151000
  1 1 1     -29    4   12 o    4.388000      0.5225000       4.029000 0.7912000       4.748000      0.6826000     -0.7188000       1.045000
  1 1 1     -29    4   13 o    2.188000      0.5832000       1.655000 0.7530000       2.721000      0.8909000      -1.066000       1.166000
  1 1 1     -29    4   14 o    2.501000      0.5887000       1.627000 0.7623000       3.375000      0.8974000      -1.748000       1.177000
  1 1 1     -29    5    1 o    2.865000      0.6292000       3.017000 0.8073000       2.713000      0.9654000      0.3042000       1.258000
  1 1 1     -29    5    2 o    9.120000      0.4177000       9.300000 0.5270000       8.940000      0.6481000      0.3592000      0.8353000
  1 1 1     -29    5    3 o    4.800000      0.5900000       4.804000 0.5661000       4.796000       1.035000      0.8551000E-02   1.180000
  1 1 1     -29    5    4 o    3.403000      0.6083000       3.268000 0.8271000       3.538000      0.8922000     -0.2701000       1.217000
  1 1 1     -29    5    5 o    2.065000      0.5999000       1.641000 0.7392000       2.489000      0.9450000     -0.8474000       1.200000
  1 1 1     -29    5    6 o    3.302000      0.6006000       3.995000 0.7089000       2.610000      0.9698000       1.385000       1.201000
  1 1 1     -29    5    7 o    1.914000      0.5533000       2.399000 0.8663000       1.430000      0.6887000      0.9686000       1.107000
  1 1 1     -29    5    8 o    1.873000      0.5741000       1.709000 0.7594000       2.038000      0.8612000     -0.3290000       1.148000
  1 1 1     -29    5    9 o    2.164000      0.6052000       2.327000 0.8504000       2.001000      0.8613000      0.3265000       1.210000
  1 1 1     -29    5   10 o    1.917000      0.5764000       2.148000 0.8524000       1.685000      0.7762000      0.4634000       1.153000
  1 1 1     -29    5   11 o    2.324000      0.6271000       2.569000 0.8891000       2.080000      0.8846000      0.4896000       1.254000
  1 1 1     -29    5   12 o    2.060000      0.5938000       1.688000 0.7586000       2.433000      0.9138000     -0.7458000       1.188000
  1 1 1     -29    5   13 o    2.359000       1.002000                  ?       ?   2.359000       1.002000                  ?              ?
  1 1 1     -29    6    1 o    2.898000      0.7362000       2.725000 1.015000       3.071000       1.066000     -0.3460000       1.472000
  1 1 1     -29    6    2 o    3.800000      0.5729000       4.321000 0.6494000       3.279000      0.9441000       1.043000       1.146000
  1 1 1     -29    6    3 o    2.546000      0.6322000       2.879000 0.8717000       2.214000      0.9160000      0.6651000       1.264000
  1 1 1     -29    6    4 o    6.894000      0.3471000       6.757000 0.4690000       7.032000      0.5118000     -0.2755000      0.6942000
  1 1 1     -29    6    5 o    3.220000      0.5935000       2.573000 0.8201000       3.868000      0.8582000      -1.294000       1.187000
  1 1 1     -29    6    6 o    2.408000      0.6416000       2.350000 0.8580000       2.466000      0.9541000     -0.1158000       1.283000
  1 1 1     -29    6    7 o    2.471000      0.6086000       1.814000 0.7825000       3.127000      0.9324000      -1.313000       1.217000
  1 1 1     -29    6    8 o    1.565000      0.5133000       1.509000 0.7040000       1.620000      0.7474000     -0.1116000       1.027000
  1 1 1     -29    6    9 o    2.736000      0.6492000       2.968000 0.9057000       2.504000      0.9303000      0.4640000       1.298000
  1 1 1     -29    6   10 o    3.186000      0.6471000       3.364000 0.9030000       3.007000      0.9271000      0.3575000       1.294000
  1 1 1     -29    6   11 o    1.750000      0.8205000       1.750000 0.8205000                  ?              ?              ?              ?
  1 1 1     -29    7    1 o    2.297000      0.5895000       2.759000 0.8573000       1.835000      0.8094000      0.9242000       1.179000
  1 1 1     -29    7    2 o    2.563000      0.6182000       2.870000 0.8399000       2.256000      0.9073000      0.6144000       1.236000
  1 1 1     -29    7    3 o    2.836000      0.6414000       3.046000 0.8605000       2.626000      0.9513000      0.4193000       1.283000
  1 1 1     -29    7    4 o    7.846000      0.3301000       8.085000 0.4399000       7.607000      0.4921000      0.4779000      0.6601000
  1 1 1     -29    7    5 o    3.101000      0.6151000       3.388000 0.8001000       2.814000      0.9346000      0.5743000       1.230000
  1 1 1     -29    7    6 o    2.397000      0.6243000       2.272000 0.8365000       2.521000      0.9270000     -0.2487000       1.249000
  1 1 1     -29    7    7 o    4.172000      0.5580000       4.082000 0.7898000       4.261000      0.7883000     -0.1792000       1.116000
  1 1 1     -29    7    8 o    2.985000      0.6210000       3.286000 0.8380000       2.683000      0.9167000      0.6026000       1.242000
  1 1 1     -29    8    1 o    4.033000      0.5420000       3.959000 0.7410000       4.107000      0.7913000     -0.1480000       1.084000
  1 1 1     -29    8    2 o    2.371000      0.5949000       2.765000 0.8418000       1.978000      0.8408000      0.7864000       1.190000
  1 1 1     -29    8    3 o    2.735000      0.5860000       3.430000 0.7917000       2.040000      0.8641000       1.389000       1.172000
  1 1 1     -29    8    4 o    2.469000      0.6129000       2.970000 0.8805000       1.969000      0.8528000       1.001000       1.226000
  1 1 1     -28  -34    1 o    2.556000      0.9658000       2.556000 0.9658000                  ?              ?              ?              ?
  1 1 1     -28  -34    2 f    3.143000      0.7468000       2.659000 1.015000       3.627000       1.095000     -0.9683000       1.494000
  1 1 1     -28  -34    3 o    2.448000       1.001000                  ?       ?   2.448000       1.001000                  ?              ?
  1 1 1     -28  -34    4 o    3.200000       1.287000       3.200000 1.287000                  ?              ?              ?              ?
  1 1 1     -28  -33    1 o    4.257000      0.6662000       4.485000 0.8813000       4.030000      0.9994000      0.4554000       1.332000
  1 1 1     -28  -33    2 o    4.953000      0.5989000       5.228000 0.7567000       4.678000      0.9286000      0.5495000       1.198000
  1 1 1     -28  -33    3 o    2.512000      0.6989000       2.579000 0.9759000       2.446000       1.001000      0.1327000       1.398000
  1 1 1     -28  -33    4 o    2.617000      0.7059000       2.795000 0.9847000       2.439000       1.012000      0.3561000       1.412000
  1 1 1     -28  -33    5 o    3.125000      0.7431000       3.131000 1.038000       3.119000       1.063000      0.1245000E-01   1.486000
  1 1 1     -28  -33    6 o    3.281000      0.7448000       3.308000 1.005000       3.255000       1.099000      0.5289000E-01   1.490000
  1 1 1     -28  -33    7 o    3.489000      0.7381000       3.073000 1.028000       3.905000       1.059000     -0.8326000       1.476000
  1 1 1     -28  -33    8 o    1.823000      0.6001000       1.766000 0.8203000       1.880000      0.8760000     -0.1143000       1.200000
  1 1 1     -28  -32    1 o    3.685000      0.7232000       3.705000 0.9963000       3.664000       1.049000      0.4092000E-01   1.446000
  1 1 1     -28  -32    2 o    2.615000      0.6496000       1.749000 0.8083000       3.480000       1.017000      -1.731000       1.299000
  1 1 1     -28  -32    3 o    2.229000      0.6711000       2.308000 0.9394000       2.151000      0.9588000      0.1570000       1.342000
  1 1 1     -28  -32    4 f    2.455000      0.6877000       2.235000 0.9296000       2.675000       1.014000     -0.4397000       1.375000
  1 1 1     -28  -32    5 o    2.731000      0.7205000       2.543000 1.003000       2.918000       1.035000     -0.3752000       1.441000
  1 1 1     -28  -32    6 o    1.782000      0.5846000       1.443000 0.7101000       2.121000      0.9289000     -0.6778000       1.169000
  1 1 1     -28  -32    7 o    3.469000      0.7048000       3.900000 0.9241000       3.038000       1.064000      0.8621000       1.410000
  1 1 1     -28  -32    8 o    2.182000      0.6716000       1.860000 0.8600000       2.503000       1.032000     -0.6430000       1.343000
  1 1 1     -28  -32    9 o    2.575000      0.7120000       2.479000 0.9765000       2.672000       1.036000     -0.1930000       1.424000
  1 1 1     -28  -32   10 o    2.962000      0.7302000       3.321000 1.006000       2.604000       1.059000      0.7164000       1.460000
  1 1 1     -28  -32   11 o    3.674000      0.9094000       3.920000 1.306000       3.427000       1.265000      0.4931000       1.819000
  1 1 1     -28  -31    1 o    2.666000      0.6813000       2.016000 0.8722000       3.315000       1.047000      -1.299000       1.363000
  1 1 1     -28  -31    2 o    2.054000      0.6339000       1.780000 0.8195000       2.327000      0.9675000     -0.5477000       1.268000
  1 1 1     -28  -31    3 o    2.701000      0.6901000       2.996000 0.9666000       2.407000      0.9853000      0.5897000       1.380000
  1 1 1     -28  -31    4 o    3.211000      0.7173000       3.528000 0.9461000       2.894000       1.078000      0.6342000       1.435000
  1 1 1     -28  -31    5 f    4.289000      0.6359000       4.397000 0.8652000       4.181000      0.9322000      0.2161000       1.272000
  1 1 1     -28  -31    6 o    3.235000      0.7370000       2.742000 1.008000       3.727000       1.076000     -0.9857000       1.474000
  1 1 1     -28  -31    7 o    2.997000      0.6997000       3.405000 0.9757000       2.588000       1.003000      0.8167000       1.399000
  1 1 1     -28  -31    8 o    2.970000      0.7435000       2.746000 0.9985000       3.194000       1.102000     -0.4485000       1.487000
  1 1 1     -28  -31    9 o    2.716000      0.7151000       2.670000 0.9885000       2.762000       1.034000     -0.9167000E-01   1.430000
  1 1 1     -28  -31   10 o    2.660000      0.7185000       2.139000 0.9168000       3.180000       1.107000      -1.042000       1.437000
  1 1 1     -28  -31   11 o    3.224000      0.7487000       2.931000 1.055000       3.518000       1.062000     -0.5876000       1.497000
  1 1 1     -28  -31   12 o    4.918000      0.6180000       5.499000 0.7675000       4.336000      0.9689000       1.163000       1.236000
  1 1 1     -28  -31   13 o    3.763000      0.8743000       4.006000 1.356000       3.520000       1.104000      0.4860000       1.749000
  1 1 1     -28  -30    1 o    4.662000      0.5790000       4.759000 0.7318000       4.565000      0.8974000      0.1937000       1.158000
  1 1 1     -28  -30    2 o    2.018000      0.8647000       2.018000 0.8647000                  ?              ?              ?              ?
  1 1 1     -28  -30    3 o    1.863000      0.6054000       1.731000 0.8013000       1.995000      0.9078000     -0.2645000       1.211000
  1 1 1     -28  -30    4 o    5.059000      0.8190000                  ?       ?   5.059000      0.8190000                  ?              ?
  1 1 1     -28  -30    5 f    1.967000      0.6245000       1.794000 0.8234000       2.139000      0.9391000     -0.3450000       1.249000
  1 1 1     -28  -30    6 o    2.510000      0.6959000       2.811000 1.013000       2.210000      0.9544000      0.6013000       1.392000
  1 1 1     -28  -30    7 o    3.774000      0.6940000       3.304000 0.9821000       4.243000      0.9807000     -0.9392000       1.388000
  1 1 1     -28  -30    8 o    2.124000      0.6592000       1.933000 0.8711000       2.315000      0.9895000     -0.3825000       1.318000
  1 1 1     -28  -30    9 o    2.246000      0.6683000       2.056000 0.8899000       2.437000      0.9974000     -0.3809000       1.337000
  1 1 1     -28  -30   10 o    2.410000      0.6820000       2.834000 1.026000       1.985000      0.8987000      0.8496000       1.364000
  1 1 1     -28  -30   11 o    2.875000      0.7324000       2.405000 0.9847000       3.345000       1.084000     -0.9406000       1.465000
  1 1 1     -28  -30   12 o    2.325000      0.6790000       2.475000 0.9792000       2.175000      0.9410000      0.2997000       1.358000
  1 1 1     -28  -30   13 o    2.512000      0.6952000       2.874000 1.007000       2.151000      0.9583000      0.7230000       1.390000
  1 1 1     -28  -30   14 o    5.200000      0.5599000       5.135000 0.7389000       5.264000      0.8414000     -0.1292000       1.120000
  1 1 1     -28  -29    1 o    4.286000      0.5752000       4.417000 0.7332000       4.155000      0.8865000      0.2615000       1.150000
  1 1 1     -28  -29    2 o    5.504000      0.6355000       5.504000 0.6355000                  ?              ?              ?              ?
  1 1 1     -28  -29    3 o    3.791000      0.6646000       3.682000 0.9012000       3.900000      0.9769000     -0.2174000       1.329000
  1 1 1     -28  -29    4 o    3.479000       1.057000                  ?       ?   3.479000       1.057000                  ?              ?
  1 1 1     -28  -29    5 f    4.473000      0.6035000       3.735000 0.9113000       5.212000      0.7915000      -1.477000       1.207000
  1 1 1     -28  -29    6 o    5.000000      0.5650000       5.078000 0.7706000       4.922000      0.8266000      0.1557000       1.130000
  1 1 1     -28  -29    7 o    5.206000      0.5561000       4.891000 0.7564000       5.522000      0.8154000     -0.6314000       1.112000
  1 1 1     -28  -29    8 o    2.587000      0.7048000       2.804000 0.9912000       2.370000       1.002000      0.4339000       1.410000
  1 1 1     -28  -29    9 o    2.772000      0.7175000       2.930000 0.9817000       2.614000       1.047000      0.3160000       1.435000
  1 1 1     -28  -29   10 o    2.611000      0.6670000       1.602000 0.7619000       3.619000       1.095000      -2.017000       1.334000
  1 1 1     -28  -29   11 o    2.972000      0.7400000       2.577000 1.000000       3.366000       1.091000     -0.7891000       1.480000
  1 1 1     -28  -29   12 o    3.416000      0.6313000       4.628000 0.8112000       2.204000      0.9676000       2.424000       1.263000
  1 1 1     -28  -29   13 f    4.746000      0.6653000       5.343000 0.7685000       4.149000       1.086000       1.194000       1.331000
  1 1 1     -28  -29   14 o    4.183000      0.7112000       4.363000 0.9220000       4.004000       1.083000      0.3595000       1.422000
  1 1 1     -28  -29   15 o    2.395000      0.6812000       2.887000 1.045000       1.903000      0.8738000      0.9842000       1.362000
  1 1 1     -28  -29   16 o    2.583000      0.7717000       2.826000 1.193000       2.340000      0.9792000      0.4857000       1.543000
  1 1 1     -28  -28    1 o    2.157000      0.6403000       1.988000 0.8292000       2.326000      0.9760000     -0.3378000       1.281000
  1 1 1     -28  -28    2 o    4.899000      0.5637000       5.654000 0.6105000       4.145000      0.9478000       1.510000       1.127000
  1 1 1     -28  -28    3 o    2.803000      0.6618000       2.216000 0.8796000       3.391000      0.9891000      -1.175000       1.324000
  1 1 1     -28  -28    4 o    4.390000      0.6046000       3.691000 0.8948000       5.090000      0.8133000      -1.399000       1.209000
  1 1 1     -28  -28    5 o    3.580000      0.6889000       3.106000 1.012000       4.053000      0.9346000     -0.9474000       1.378000
  1 1 1     -28  -28    6 o    3.531000      0.7011000       3.680000 0.9475000       3.382000       1.034000      0.2979000       1.402000
  1 1 1     -28  -28    7 o    2.157000      0.6550000       1.818000 0.8415000       2.495000       1.004000     -0.6766000       1.310000
  1 1 1     -28  -28    8 o    4.532000      0.6407000       5.059000 0.7349000       4.005000       1.050000       1.054000       1.281000
  1 1 1     -28  -28    9 o    2.349000      0.6844000       2.564000 0.9889000       2.135000      0.9464000      0.4293000       1.369000
  1 1 1     -28  -28   10 o    3.640000      0.7290000       3.645000 0.9649000       3.634000       1.093000      0.1061000E-01   1.458000
  1 1 1     -28  -28   11 o    3.525000      0.6743000       4.280000 0.8394000       2.770000       1.056000       1.509000       1.349000
  1 1 1     -28  -28   12 o    3.379000      0.7535000       2.962000 1.015000       3.796000       1.114000     -0.8344000       1.507000
  1 1 1     -28  -28   13 o    3.741000      0.7071000       4.256000 0.9307000       3.225000       1.065000       1.031000       1.414000
  1 1 1     -28  -28   14 o    2.520000      0.6787000       3.257000 1.061000       1.783000      0.8473000       1.473000       1.357000
  1 1 1     -28  -28   15 o    4.250000      0.6838000       4.985000 0.8349000       3.514000       1.083000       1.471000       1.368000
  1 1 1     -28  -28   16 f    2.216000      0.6735000       2.431000 1.000000       2.002000      0.9020000      0.4291000       1.347000
  1 1 1     -28  -28   17 o    2.273000      0.6461000       1.512000 0.7414000       3.033000       1.058000      -1.521000       1.292000
  1 1 1     -28  -27    1 o    3.468000      0.7493000       2.434000 0.9617000       4.501000       1.149000      -2.067000       1.499000
  1 1 1     -28  -27    2 o    2.698000      0.7904000       2.602000 1.034000       2.794000       1.196000     -0.1929000       1.581000
  1 1 1     -28  -27    3 o    4.459000      0.5959000       4.281000 0.8331000       4.638000      0.8522000     -0.3575000       1.192000
  1 1 1     -28  -27    4 o    3.057000      0.6862000       3.523000 0.8985000       2.592000       1.037000      0.9316000       1.372000
  1 1 1     -28  -27    5 o    2.327000      0.6651000       2.581000 0.9825000       2.072000      0.8966000      0.5092000       1.330000
  1 1 1     -28  -27    6 f    3.071000      0.7385000       3.087000 0.9994000       3.054000       1.088000      0.3325000E-01   1.477000
  1 1 1     -28  -27    7 o    2.145000      0.6204000       2.621000 0.9570000       1.669000      0.7898000      0.9525000       1.241000
  1 1 1     -28  -27    8 o    3.581000      0.6926000       4.354000 0.8599000       2.808000       1.086000       1.546000       1.385000
  1 1 1     -28  -27    9 o    2.489000      0.6943000       2.546000 0.9904000       2.432000      0.9734000      0.1134000       1.389000
  1 1 1     -28  -27   10 o    2.023000      0.6471000       1.874000 0.8508000       2.172000      0.9753000     -0.2980000       1.294000
  1 1 1     -28  -27   11 o    3.462000      0.7349000       3.518000 0.9662000       3.405000       1.107000      0.1133000       1.470000
  1 1 1     -28  -27   12 f    5.051000      0.6218000       5.675000 0.7155000       4.427000       1.017000       1.247000       1.244000
  1 1 1     -28  -27   13 o    4.195000      0.6699000       3.984000 0.9583000       4.405000      0.9365000     -0.4208000       1.340000
  1 1 1     -28  -27   14 o    2.656000      0.6905000       3.159000 1.016000       2.154000      0.9354000       1.004000       1.381000
  1 1 1     -28  -27   15 o    3.018000      0.7089000       2.350000 0.9607000       3.686000       1.043000      -1.337000       1.418000
  1 1 1     -28  -27   16 o    2.238000      0.6447000       2.765000 0.9969000       1.710000      0.8178000       1.055000       1.289000
  1 1 1     -28  -27   17 o    3.002000      0.6980000       2.227000 0.9501000       3.776000       1.023000      -1.549000       1.396000
  1 1 1     -28  -27   18 o    1.904000      0.6094000       2.097000 0.9081000       1.710000      0.8130000      0.3870000       1.219000
  1 1 1     -28  -26    1 o    5.202000      0.4647000       4.886000 0.6259000       5.518000      0.6870000     -0.6322000      0.9294000
  1 1 1     -28  -26    2 o    2.978000      0.6967000       2.514000 0.9044000       3.442000       1.060000     -0.9280000       1.393000
  1 1 1     -28  -26    3 o    9.088000      0.4344000       9.452000 0.5316000       8.723000      0.6870000      0.7290000      0.8687000
  1 1 1     -28  -26    4 o    2.121000      0.6920000       1.661000 0.7935000       2.581000       1.134000     -0.9198000       1.384000
  1 1 1     -28  -26    5 o    3.082000      0.7014000       3.494000 0.9498000       2.670000       1.032000      0.8238000       1.403000
  1 1 1     -28  -26    6 o    3.306000      0.6651000       3.717000 0.8614000       2.894000       1.014000      0.8235000       1.330000
  1 1 1     -28  -26    7 o    3.590000      0.6811000       2.720000 1.000000       4.460000      0.9245000      -1.740000       1.362000
  1 1 1     -28  -26    8 o    4.934000      0.6349000       5.516000 0.8658000       4.353000      0.9288000       1.162000       1.270000
  1 1 1     -28  -26    9 o    3.520000      0.6086000       4.837000 0.7735000       2.203000      0.9398000       2.634000       1.217000
  1 1 1     -28  -26   10 o    2.885000      0.7414000       3.104000 1.048000       2.667000       1.049000      0.4368000       1.483000
  1 1 1     -28  -26   11 f    3.763000      0.7067000       3.389000 0.9970000       4.136000       1.002000     -0.7464000       1.413000
  1 1 1     -28  -26   12 o    2.889000      0.7236000       2.270000 0.9426000       3.508000       1.098000      -1.238000       1.447000
  1 1 1     -28  -26   13 o    2.458000      0.7052000       2.581000 0.9934000       2.335000       1.001000      0.2457000       1.410000
  1 1 1     -28  -26   14 o    4.668000      0.7030000       3.400000 1.039000       5.936000      0.9474000      -2.536000       1.406000
  1 1 1     -28  -26   15 o    3.510000      0.7485000       3.235000 1.054000       3.784000       1.062000     -0.5494000       1.497000
  1 1 1     -28  -26   16 o    2.861000      0.6974000       2.091000 0.9064000       3.632000       1.060000      -1.541000       1.395000
  1 1 1     -28  -26   17 o    2.840000      0.6872000       1.958000 0.8977000       3.722000       1.041000      -1.764000       1.374000
  1 1 1     -28  -26   18 o    4.383000      0.6605000       5.649000 0.7457000       3.117000       1.090000       2.532000       1.321000
  1 1 1     -28  -26   19 o    2.897000      0.7162000       3.157000 1.007000       2.638000       1.019000      0.5194000       1.432000
  1 1 1     -28  -25    1 o    2.961000      0.8364000       3.303000 1.258000       2.618000       1.103000      0.6855000       1.673000
  1 1 1     -28  -25    2 o    3.286000      0.6375000       4.024000 0.8143000       2.549000      0.9810000       1.475000       1.275000
  1 1 1     -28  -25    3 o    3.301000      0.9552000       3.301000 0.9552000                  ?              ?              ?              ?
  1 1 1     -28  -25    4 o    5.473000      0.6724000       6.171000 0.5311000       4.775000       1.236000       1.396000       1.345000
  1 1 1     -28  -25    5 o    2.934000       1.155000                  ?       ?   2.934000       1.155000                  ?              ?
  1 1 1     -28  -25    6 o    2.089000      0.6289000       2.307000 0.9223000       1.870000      0.8552000      0.4368000       1.258000
  1 1 1     -28  -25    7 o    6.991000      0.4114000       6.847000 0.5506000       7.135000      0.6114000     -0.2879000      0.8228000
  1 1 1     -28  -25    8 f    2.112000      0.6445000       2.172000 0.9143000       2.051000      0.9087000      0.1212000       1.289000
  1 1 1     -28  -25    9 o    4.206000      0.6193000       5.456000 0.7195000       2.956000       1.008000       2.500000       1.239000
  1 1 1     -28  -25   10 o    4.205000      0.6680000       3.749000 0.9521000       4.660000      0.9372000     -0.9110000       1.336000
  1 1 1     -28  -25   11 o    3.062000      0.7168000       2.521000 1.005000       3.604000       1.023000      -1.083000       1.434000
  1 1 1     -28  -25   12 o    2.111000      0.6567000       1.841000 0.8544000       2.380000      0.9975000     -0.5384000       1.313000
  1 1 1     -28  -25   13 o    4.154000      0.6883000       3.841000 0.9957000       4.467000      0.9506000     -0.6265000       1.377000
  1 1 1     -28  -25   14 o    3.542000      0.7203000       3.970000 0.9988000       3.114000       1.038000      0.8562000       1.441000
  1 1 1     -28  -25   15 o    5.531000      0.5385000       5.970000 0.7012000       5.091000      0.8174000      0.8785000       1.077000
  1 1 1     -28  -25   16 o    6.476000      0.4658000       6.233000 0.6567000       6.719000      0.6608000     -0.4855000      0.9316000
  1 1 1     -28  -25   17 o    2.904000      0.7112000       3.370000 1.025000       2.438000      0.9860000      0.9327000       1.422000
  1 1 1     -28  -25   18 o    2.200000      0.6657000       2.567000 1.014000       1.833000      0.8628000      0.7339000       1.331000
  1 1 1     -28  -25   19 o    4.239000      0.6363000       2.783000 1.013000       5.695000      0.7704000      -2.912000       1.273000
  1 1 1     -28  -25   20 o    3.726000      0.6979000       3.387000 0.9922000       4.064000      0.9817000     -0.6769000       1.396000
  1 1 1     -28  -24    1 o    3.059000      0.6674000       2.463000 0.9275000       3.655000      0.9598000      -1.192000       1.335000
  1 1 1     -28  -24    2 o    7.898000      0.5556000       7.743000 0.8135000       8.053000      0.7571000     -0.3095000       1.111000
  1 1 1     -28  -24    3 o    4.674000       1.204000       4.674000 1.204000                  ?              ?              ?              ?
  1 1 1     -28  -24    4 o    5.672000      0.4648000       5.421000 0.6311000       5.922000      0.6825000     -0.5012000      0.9296000
  1 1 1     -28  -24    5 o    2.150000      0.9131000                  ?       ?   2.150000      0.9131000                  ?              ?
  1 1 1     -28  -24    6 o    2.366000      0.7275000       1.515000 0.7335000       3.216000       1.257000      -1.701000       1.455000
  1 1 1     -28  -24    7 o    5.082000      0.5761000       5.726000 0.8003000       4.439000      0.8291000       1.287000       1.152000
  1 1 1     -28  -24    8 f    3.476000      0.6650000       2.833000 0.9729000       4.120000      0.9067000      -1.287000       1.330000
  1 1 1     -28  -24    9 o    3.014000      0.7254000       3.212000 1.006000       2.816000       1.045000      0.3968000       1.451000
  1 1 1     -28  -24   10 o    2.912000      0.6869000       2.323000 0.9416000       3.501000       1.001000      -1.178000       1.374000
  1 1 1     -28  -24   11 o    3.816000      0.6670000       4.831000 0.8259000       2.800000       1.048000       2.031000       1.334000
  1 1 1     -28  -24   12 o    3.155000      0.7461000       3.005000 1.001000       3.304000       1.107000     -0.2992000       1.492000
  1 1 1     -28  -24   13 o    6.472000      0.4759000       6.815000 0.6088000       6.129000      0.7316000      0.6859000      0.9518000
  1 1 1     -28  -24   14 o    5.343000      0.6016000       5.330000 0.8245000       5.355000      0.8762000     -0.2499000E-01   1.203000
  1 1 1     -28  -24   15 f    2.693000      0.7366000       2.220000 0.9535000       3.166000       1.123000     -0.9456000       1.473000
  1 1 1     -28  -24   16 o    4.731000      0.6359000       4.405000 0.8950000       5.058000      0.9036000     -0.6533000       1.272000
  1 1 1     -28  -24   17 o    2.839000      0.7198000       2.464000 0.9848000       3.214000       1.050000     -0.7494000       1.440000
  1 1 1     -28  -24   18 o    2.701000      0.7172000       2.444000 0.9745000       2.957000       1.053000     -0.5137000       1.434000
  1 1 1     -28  -24   19 o    4.202000      0.6499000       4.514000 0.8476000       3.890000      0.9855000      0.6234000       1.300000
  1 1 1     -28  -24   20 o    3.404000      0.7035000       3.669000 0.9601000       3.140000       1.029000      0.5288000       1.407000
  1 1 1     -28  -24   21 o    2.893000      0.6955000       2.377000 0.9432000       3.409000       1.022000      -1.031000       1.391000
  1 1 1     -28  -23    1 o    5.497000      0.4665000       6.038000 0.5600000       4.957000      0.7463000       1.081000      0.9331000
  1 1 1     -28  -23    2 o    6.039000      0.4277000       5.833000 0.5908000       6.244000      0.6186000     -0.4111000      0.8554000
  1 1 1     -28  -23    3 o    4.106000      0.8488000       4.886000 1.159000       3.325000       1.241000       1.561000       1.698000
  1 1 1     -28  -23    4 o    3.550000      0.8394000       3.914000 1.268000       3.186000       1.100000      0.7280000       1.679000
  1 1 1     -28  -23    5 o    5.655000      0.4945000       5.842000 0.6621000       5.469000      0.7347000      0.3731000      0.9890000
  1 1 1     -28  -23    6 o    3.869000      0.6334000       4.363000 0.7582000       3.374000       1.015000      0.9881000       1.267000
  1 1 1     -28  -23    7 o    3.951000      0.7778000       4.676000 0.9807000       3.227000       1.207000       1.449000       1.556000
  1 1 1     -28  -23    8 o    7.745000      0.5081000       7.453000 0.6657000       8.036000      0.7678000     -0.5832000       1.016000
  1 1 1     -28  -23    9 o    3.362000      0.7160000       3.032000 1.014000       3.692000       1.011000     -0.6606000       1.432000
  1 1 1     -28  -23   10 o    2.229000      0.6664000       2.493000 0.9897000       1.965000      0.8926000      0.5279000       1.333000
  1 1 1     -28  -23   11 o    2.439000      0.6960000       2.691000 1.014000       2.187000      0.9542000      0.5036000       1.392000
  1 1 1     -28  -23   12 o    4.101000      0.6637000       4.301000 0.8506000       3.901000       1.019000      0.3997000       1.327000
  1 1 1     -28  -23   13 o    2.970000      0.7372000       2.848000 1.001000       3.092000       1.082000     -0.2448000       1.474000
  1 1 1     -28  -23   14 o    2.947000      0.7482000       2.715000 1.004000       3.179000       1.110000     -0.4643000       1.496000
  1 1 1     -28  -23   15 f    8.145000      0.3964000       8.303000 0.5174000       7.987000      0.6007000      0.3153000      0.7929000
  1 1 1     -28  -23   16 o    6.709000      0.4847000       7.320000 0.6183000       6.098000      0.7466000       1.222000      0.9694000
  1 1 1     -28  -23   17 o    3.999000      0.7173000       4.183000 0.9774000       3.815000       1.050000      0.3674000       1.435000
  1 1 1     -28  -23   18 f    4.100000      0.7259000       4.410000 0.9763000       3.790000       1.074000      0.6196000       1.452000
  1 1 1     -28  -23   19 o    3.328000      0.7452000       3.493000 1.035000       3.163000       1.073000      0.3300000       1.490000
  1 1 1     -28  -23   20 o    3.177000      0.7181000       3.246000 0.9987000       3.108000       1.032000      0.1386000       1.436000
  1 1 1     -28  -23   21 o    4.162000      0.6090000       5.925000 0.6920000       2.399000       1.002000       3.526000       1.218000
  1 1 1     -28  -22    1 o    6.110000      0.3961000       6.291000 0.5178000       5.928000      0.5995000      0.3630000      0.7921000
  1 1 1     -28  -22    2 o    2.128000      0.6321000       2.083000 0.8724000       2.172000      0.9150000     -0.8929000E-01   1.264000
  1 1 1     -28  -22    3 o    7.503000      0.3809000       7.279000 0.5256000       7.727000      0.5513000     -0.4482000      0.7618000
  1 1 1     -28  -22    4 o    4.033000      0.8116000       4.301000 1.147000       3.766000       1.148000      0.5352000       1.623000
  1 1 1     -28  -22    5 o    7.660000      0.5331000       7.735000 0.8226000       7.586000      0.6782000      0.1490000       1.066000
  1 1 1     -28  -22    6 o    2.018000      0.6147000       1.491000 0.7140000       2.544000       1.001000      -1.054000       1.229000
  1 1 1     -28  -22    7 o    7.295000      0.3890000       7.761000 0.5109000       6.829000      0.5868000      0.9318000      0.7780000
  1 1 1     -28  -22    8 o    6.392000      0.5679000       5.872000 0.7535000       6.912000      0.8497000      -1.040000       1.136000
  1 1 1     -28  -22    9 f    3.305000      0.8182000       3.796000 1.118000       2.814000       1.195000      0.9821000       1.636000
  1 1 1     -28  -22   10 o    4.381000      0.6319000       4.937000 0.7397000       3.825000       1.025000       1.111000       1.264000
  1 1 1     -28  -22   11 o    4.452000      0.6459000       4.010000 0.9923000       4.894000      0.8272000     -0.8840000       1.292000
  1 1 1     -28  -22   12 f    3.616000      0.7244000       3.754000 0.9902000       3.477000       1.057000      0.2765000       1.449000
  1 1 1     -28  -22   13 o    3.030000      0.7298000       3.341000 0.9982000       2.719000       1.065000      0.6224000       1.460000
  1 1 1     -28  -22   14 o    3.874000      0.7000000       4.440000 0.8791000       3.308000       1.090000       1.132000       1.400000
  1 1 1     -28  -22   15 o    5.306000      0.5902000       5.191000 0.8362000       5.421000      0.8331000     -0.2299000       1.180000
  1 1 1     -28  -22   16 o    2.070000      0.6620000       2.065000 0.9218000       2.075000      0.9505000     -0.9527000E-02   1.324000
  1 1 1     -28  -22   17 o    3.550000      0.7822000       3.535000 1.082000       3.566000       1.130000     -0.3054000E-01   1.564000
  1 1 1     -28  -22   18 o    3.422000      0.7272000       3.319000 1.020000       3.525000       1.037000     -0.2060000       1.454000
  1 1 1     -28  -22   19 o    2.755000      0.7332000       2.447000 0.9929000       3.063000       1.079000     -0.6160000       1.466000
  1 1 1     -28  -22   20 o    4.070000      0.6930000       4.745000 0.8649000       3.394000       1.083000       1.351000       1.386000
  1 1 1     -28  -22   21 o    2.843000      0.7388000       2.843000 1.036000       2.842000       1.054000      0.9758000E-03   1.478000
  1 1 1     -28  -22   22 o    2.542000      0.7099000       2.576000 0.9997000       2.508000       1.008000      0.6800000E-01   1.420000
  1 1 1     -28  -21    1 o    4.720000      0.4904000       4.534000 0.6546000       4.907000      0.7303000     -0.3729000      0.9807000
  1 1 1     -28  -21    2 o    6.566000      0.3852000       5.824000 0.5779000       7.307000      0.5095000      -1.483000      0.7705000
  1 1 1     -28  -21    3 o    5.962000      0.4397000       5.967000 0.5985000       5.957000      0.6442000      0.9158000E-02  0.8794000
  1 1 1     -28  -21    4 o    2.711000      0.6596000       2.540000 0.9334000       2.882000      0.9323000     -0.3419000       1.319000
  1 1 1     -28  -21    5 o    2.902000      0.7748000       2.605000 1.117000       3.199000       1.074000     -0.5941000       1.550000
  1 1 1     -28  -21    7 f    3.368000      0.6739000       3.742000 0.8976000       2.993000       1.005000      0.7485000       1.348000
  1 1 1     -28  -21    8 o    4.551000      0.5725000       5.208000 0.6662000       3.893000      0.9312000       1.315000       1.145000
  1 1 1     -28  -21    9 o    3.771000      0.8089000       3.959000 1.009000       3.583000       1.265000      0.3764000       1.618000
  1 1 1     -28  -21   10 o    7.841000      0.4034000       8.006000 0.5354000       7.677000      0.6034000      0.3283000      0.8067000
  1 1 1     -28  -21   11 o    4.886000      0.5795000       4.811000 0.7852000       4.962000      0.8524000     -0.1504000       1.159000
  1 1 1     -28  -21   12 o    2.869000      0.7123000       3.249000 1.009000       2.489000       1.006000      0.7599000       1.425000
  1 1 1     -28  -21   13 o    2.316000      0.6867000       2.428000 0.9931000       2.205000      0.9487000      0.2224000       1.373000
  1 1 1     -28  -21   14 o    2.980000      0.7495000       2.509000 1.005000       3.451000       1.112000     -0.9418000       1.499000
  1 1 1     -28  -21   15 o    7.307000      0.4650000       7.614000 0.6092000       7.000000      0.7028000      0.6139000      0.9300000
  1 1 1     -28  -21   16 o    6.773000      0.4670000       6.768000 0.6425000       6.777000      0.6779000     -0.8982000E-02  0.9340000
  1 1 1     -28  -21   17 o    2.060000      0.6493000       2.200000 0.9469000       1.920000      0.8888000      0.2793000       1.299000
  1 1 1     -28  -21   18 o    2.127000      0.6596000       2.242000 0.9651000       2.012000      0.8994000      0.2302000       1.319000
  1 1 1     -28  -21   19 o    3.045000      0.7237000       2.472000 1.015000       3.618000       1.032000      -1.146000       1.447000
  1 1 1     -28  -21   20 o    2.782000      0.7127000       3.324000 1.041000       2.241000      0.9732000       1.083000       1.425000
  1 1 1     -28  -21   21 o    2.466000      0.7186000       2.407000 0.9933000       2.526000       1.039000     -0.1186000       1.437000
  1 1 1     -28  -21   22 o    2.985000      0.7262000       3.277000 1.025000       2.693000       1.029000      0.5840000       1.452000
  1 1 1     -28  -20    1 o    6.534000      0.3756000       6.179000 0.5424000       6.889000      0.5196000     -0.7095000      0.7511000
  1 1 1     -28  -20    2 o    5.524000      0.4414000       5.210000 0.6259000       5.839000      0.6226000     -0.6292000      0.8828000
  1 1 1     -28  -20    3 o    10.90000      0.3038000       10.97000 0.4150000       10.83000      0.4438000      0.1403000      0.6076000
  1 1 1     -28  -20    4 o    8.976000      0.4387000       8.976000 0.4387000                  ?              ?              ?              ?
  1 1 1     -28  -20    5 o    5.334000      0.4621000       5.789000 0.5853000       4.880000      0.7153000      0.9098000      0.9242000
  1 1 1     -28  -20    6 o    7.560000      0.7211000                  ?       ?   7.560000      0.7211000                  ?              ?
  1 1 1     -28  -20    7 o    2.999000      0.8092000       3.375000 1.188000       2.622000       1.099000      0.7537000       1.618000
  1 1 1     -28  -20    8 o    4.616000      0.5407000       4.595000 0.7074000       4.637000      0.8179000     -0.4220000E-01   1.081000
  1 1 1     -28  -20    9 o    2.059000      0.6261000       2.387000 0.9570000       1.731000      0.8075000      0.6559000       1.252000
  1 1 1     -28  -20   10 o    7.535000      0.6235000       8.353000 0.6793000       6.717000       1.046000       1.636000       1.247000
  1 1 1     -28  -20   11 o    3.363000      0.7424000       3.179000 1.034000       3.547000       1.066000     -0.3683000       1.485000
  1 1 1     -28  -20   12 o    9.407000      0.3706000       9.148000 0.5160000       9.666000      0.5322000     -0.5180000      0.7413000
  1 1 1     -28  -20   13 o    2.417000      0.6999000       2.586000 1.006000       2.248000      0.9738000      0.3379000       1.400000
  1 1 1     -28  -20   14 o    3.115000      0.6892000       3.872000 0.9490000       2.358000      0.9998000       1.514000       1.378000
  1 1 1     -28  -20   15 o    5.313000      0.5590000       5.230000 0.7740000       5.396000      0.8069000     -0.1659000       1.118000
  1 1 1     -28  -20   16 o    4.554000      0.6554000       4.667000 0.8688000       4.441000      0.9816000      0.2254000       1.311000
  1 1 1     -28  -20   17 o    5.628000      0.5540000       5.405000 0.8054000       5.852000      0.7610000     -0.4469000       1.108000
  1 1 1     -28  -20   18 o    3.299000      0.7626000       3.418000 1.074000       3.181000       1.083000      0.2372000       1.525000
  1 1 1     -28  -20   19 o    2.784000      0.7430000       2.917000 1.069000       2.650000       1.032000      0.2677000       1.486000
  1 1 1     -28  -20   20 o    3.384000      0.7325000       2.767000 1.057000       4.001000       1.015000      -1.234000       1.465000
  1 1 1     -28  -20   21 o    3.580000      0.7166000       3.234000 1.020000       3.926000       1.007000     -0.6921000       1.433000
  1 1 1     -28  -20   22 o    3.204000      0.7393000       2.968000 1.051000       3.441000       1.040000     -0.4725000       1.479000
  1 1 1     -28  -20   23 o    2.880000      0.7218000       2.708000 1.008000       3.052000       1.033000     -0.3435000       1.444000
  1 1 1     -28  -19    1 o    2.491000      0.6266000       2.876000 0.8897000       2.105000      0.8827000      0.7705000       1.253000
  1 1 1     -28  -19    2 o    4.479000      0.5215000       3.577000 0.8114000       5.381000      0.6554000      -1.805000       1.043000
  1 1 1     -28  -19    3 o    6.488000      0.3950000       6.576000 0.5302000       6.399000      0.5858000      0.1771000      0.7901000
  1 1 1     -28  -19    4 o    3.137000      0.9487000       3.137000 0.9487000                  ?              ?              ?              ?
  1 1 1     -28  -19    5 o    3.198000      0.6875000       2.958000 0.9620000       3.437000      0.9823000     -0.4792000       1.375000
  1 1 1     -28  -19    6 o    6.740000      0.5847000                  ?       ?   6.740000      0.5847000                  ?              ?
  1 1 1     -28  -19    7 f    3.441000      0.8119000       3.026000 1.141000       3.855000       1.155000     -0.8287000       1.624000
  1 1 1     -28  -19    8 o    7.500000      0.5369000       7.348000 0.8103000       7.651000      0.7045000     -0.3034000       1.074000
  1 1 1     -28  -19    9 o    3.428000      0.6638000       2.776000 0.9677000       4.079000      0.9090000      -1.304000       1.328000
  1 1 1     -28  -19   10 o    5.501000      0.7330000       4.728000 1.054000       6.274000       1.019000      -1.546000       1.466000
  1 1 1     -28  -19   11 o    3.788000      0.8464000       4.054000 1.127000       3.521000       1.263000      0.5329000       1.693000
  1 1 1     -28  -19   12 o    10.67000      0.3412000       10.37000 0.4786000       10.97000      0.4866000     -0.5985000      0.6825000
  1 1 1     -28  -19   13 o    7.543000      0.4157000       7.360000 0.5757000       7.726000      0.5998000     -0.3656000      0.8314000
  1 1 1     -28  -19   14 o    4.162000      0.6972000       3.990000 0.9651000       4.334000       1.006000     -0.3442000       1.394000
  1 1 1     -28  -19   15 o    2.883000      0.7178000       3.333000 1.024000       2.433000       1.007000      0.9008000       1.436000
  1 1 1     -28  -19   16 o    2.637000      0.7025000       1.992000 0.9009000       3.282000       1.078000      -1.291000       1.405000
  1 1 1     -28  -19   17 o    7.378000      0.4441000       7.240000 0.6150000       7.515000      0.6409000     -0.2752000      0.8882000
  1 1 1     -28  -19   18 o    4.788000      0.6120000       4.858000 0.8308000       4.717000      0.8989000      0.1410000       1.224000
  1 1 1     -28  -19   19 o    6.167000      0.4959000       5.814000 0.7276000       6.521000      0.6739000     -0.7065000      0.9918000
  1 1 1     -28  -19   20 o    5.324000      0.5430000       5.568000 0.7354000       5.080000      0.7991000      0.4881000       1.086000
  1 1 1     -28  -19   21 o    2.706000      0.7202000       2.660000 1.009000       2.753000       1.028000     -0.9236000E-01   1.440000
  1 1 1     -28  -19   22 o    2.197000      0.6588000       1.992000 0.8834000       2.402000      0.9775000     -0.4106000       1.318000
  1 1 1     -28  -19   23 o    2.831000      0.7091000       3.106000 1.009000       2.557000      0.9969000      0.5491000       1.418000
  1 1 1     -28  -18    1 o    2.240000      0.6049000       1.733000 0.7741000       2.747000      0.9299000      -1.013000       1.210000
  1 1 1     -28  -18    2 o    7.549000      0.3350000       7.505000 0.4635000       7.594000      0.4839000     -0.8903000E-01  0.6701000
  1 1 1     -28  -18    3 o    2.322000      0.6404000       2.358000 0.8877000       2.286000      0.9232000      0.7232000E-01   1.281000
  1 1 1     -28  -18    4 o    5.078000      0.4948000       4.899000 0.6931000       5.258000      0.7063000     -0.3595000      0.9895000
  1 1 1     -28  -18    5 o    7.791000      0.3582000       8.423000 0.4614000       7.159000      0.5481000       1.264000      0.7164000
  1 1 1     -28  -18    6 o    8.421000      0.3433000       8.499000 0.4710000       8.342000      0.4995000      0.1565000      0.6865000
  1 1 1     -28  -18    7 o    4.429000      0.5861000       5.271000 0.6598000       3.587000      0.9689000       1.684000       1.172000
  1 1 1     -28  -18    8 o    3.590000      0.7987000       4.299000 1.159000       2.881000       1.099000       1.418000       1.597000
  1 1 1     -28  -18    9 o    1.931000      0.6067000       1.961000 0.8619000       1.902000      0.8541000      0.5959000E-01   1.213000
  1 1 1     -28  -18   10 o    3.788000      0.6491000       3.637000 0.9272000       3.940000      0.9087000     -0.3035000       1.298000
  1 1 1     -28  -18   11 o    5.099000      0.7645000       4.445000 1.094000       5.753000       1.068000      -1.307000       1.529000
  1 1 1     -28  -18   12 f    8.772000      0.3769000       9.016000 0.5227000       8.527000      0.5431000      0.4885000      0.7538000
  1 1 1     -28  -18   13 o    7.518000      0.4093000       7.677000 0.5603000       7.358000      0.5968000      0.3187000      0.8186000
  1 1 1     -28  -18   14 o    2.974000      0.7219000       2.632000 0.9999000       3.317000       1.041000     -0.6848000       1.444000
  1 1 1     -28  -18   15 o    2.310000      0.6822000       2.190000 0.9342000       2.430000      0.9946000     -0.2409000       1.364000
  1 1 1     -28  -18   16 o    3.411000      0.7422000       3.546000 1.033000       3.275000       1.066000      0.2712000       1.484000
  1 1 1     -28  -18   17 o    5.808000      0.5141000       5.510000 0.7425000       6.105000      0.7112000     -0.5947000       1.028000
  1 1 1     -28  -18   18 o    7.488000      0.4225000       7.861000 0.5648000       7.114000      0.6285000      0.7470000      0.8450000
  1 1 1     -28  -18   19 o    6.511000      0.4928000       7.252000 0.6136000       5.771000      0.7713000       1.481000      0.9856000
  1 1 1     -28  -18   20 o    2.800000      0.7270000       2.887000 1.049000       2.713000       1.007000      0.1743000       1.454000
  1 1 1     -28  -18   21 o    2.562000      0.6800000       3.195000 1.039000       1.929000      0.8778000       1.265000       1.360000
  1 1 1     -28  -18   22 o    3.464000      0.7081000       3.986000 0.9643000       2.943000       1.037000       1.042000       1.416000
  1 1 1     -28  -18   23 o    2.550000      0.6918000       2.337000 0.9483000       2.763000       1.007000     -0.4259000       1.384000
  1 1 1     -28  -18   24 o    2.277000      0.6744000       2.291000 0.9486000       2.264000      0.9588000      0.2642000E-01   1.349000
  1 1 1     -28  -17    1 o    3.593000      0.5808000       4.025000 0.7329000       3.162000      0.9013000      0.8628000       1.162000
  1 1 1     -28  -17    2 o    5.302000      0.4127000       4.930000 0.5910000       5.674000      0.5761000     -0.7432000      0.8254000
  1 1 1     -28  -17    3 o    2.696000      0.6528000       2.597000 0.8979000       2.795000      0.9477000     -0.1988000       1.306000
  1 1 1     -28  -17    4 o    7.049000      0.3638000       6.849000 0.5063000       7.249000      0.5225000     -0.3992000      0.7275000
  1 1 1     -28  -17    5 o    8.261000      0.3416000       8.421000 0.4622000       8.102000      0.5033000      0.3192000      0.6833000
  1 1 1     -28  -17    6 o    6.226000      0.4144000       7.110000 0.5228000       5.341000      0.6432000       1.769000      0.8288000
  1 1 1     -28  -17    7 o    8.648000      0.3398000       8.290000 0.4892000       9.006000      0.4718000     -0.7156000      0.6797000
  1 1 1     -28  -17    8 o    3.381000      0.8102000       3.121000 1.172000       3.641000       1.119000     -0.5200000       1.620000
  1 1 1     -28  -17    9 o    4.510000      0.7795000       4.718000 1.134000       4.302000       1.070000      0.4163000       1.559000
  1 1 1     -28  -17   10 o    7.171000      0.3860000       7.030000 0.5479000       7.312000      0.5439000     -0.2819000      0.7721000
  1 1 1     -28  -17   11 o    2.364000      0.7363000       2.474000 1.041000       2.254000       1.041000      0.2198000       1.473000
  1 1 1     -28  -17   12 o    6.543000      0.6192000       7.001000 0.7788000       6.085000      0.9630000      0.9158000       1.238000
  1 1 1     -28  -17   13 o    11.48000      0.3255000       12.20000 0.4423000       10.76000      0.4776000       1.448000      0.6510000
  1 1 1     -28  -17   14 o    3.355000      0.7206000       3.420000 1.002000       3.291000       1.036000      0.1290000       1.441000
  1 1 1     -28  -17   15 o    3.771000      0.6978000       3.555000 1.007000       3.987000      0.9664000     -0.4320000       1.396000
  1 1 1     -28  -17   16 o    2.339000      0.6879000       2.371000 0.9737000       2.306000      0.9721000      0.6464000E-01   1.376000
  1 1 1     -28  -17   17 o    4.714000      0.6070000       4.329000 0.9106000       5.098000      0.8028000     -0.7690000       1.214000
  1 1 1     -28  -17   18 o    4.674000      0.6272000       5.425000 0.7171000       3.924000       1.029000       1.501000       1.254000
  1 1 1     -28  -17   19 o    4.220000      0.6779000       3.821000 1.018000       4.618000      0.8953000     -0.7974000       1.356000
  1 1 1     -28  -17   20 o    4.236000      0.6732000       4.839000 0.8524000       3.632000       1.042000       1.207000       1.346000
  1 1 1     -28  -17   21 o    2.575000      0.7104000       2.797000 1.034000       2.353000      0.9742000      0.4435000       1.421000
  1 1 1     -28  -17   22 o    2.522000      0.6913000       2.255000 0.9485000       2.789000       1.006000     -0.5344000       1.383000
  1 1 1     -28  -17   23 o    2.949000      0.6550000       3.973000 0.9721000       1.924000      0.8780000       2.049000       1.310000
  1 1 1     -28  -17   24 o    2.828000      0.7104000       2.502000 0.9873000       3.154000       1.022000     -0.6519000       1.421000
  1 1 1     -28  -16    1 o    8.645000      0.3068000       8.804000 0.4227000       8.486000      0.4449000      0.3181000      0.6137000
  1 1 1     -28  -16    2 o    6.994000      0.3429000       7.161000 0.4646000       6.827000      0.5045000      0.3343000      0.6859000
  1 1 1     -28  -16    3 o    2.106000      0.5704000       2.765000 0.9004000       1.448000      0.7006000       1.318000       1.141000
  1 1 1     -28  -16    4 o    8.204000      0.3266000       8.236000 0.4464000       8.172000      0.4769000      0.6359000E-01  0.6532000
  1 1 1     -28  -16    5 o    15.16000      0.4214000       15.16000 0.4214000                  ?              ?              ?              ?
  1 1 1     -28  -16    6 o    9.666000      0.3083000       9.389000 0.4327000       9.944000      0.4393000     -0.5553000      0.6166000
  1 1 1     -28  -16    7 o    7.115000      0.5381000                  ?       ?   7.115000      0.5381000                  ?              ?
  1 1 1     -28  -16    8 o    2.627000      0.6474000       3.214000 0.9446000       2.041000      0.8855000       1.174000       1.295000
  1 1 1     -28  -16    9 o    6.904000      0.5649000       6.635000 0.8507000       7.173000      0.7434000     -0.5374000       1.130000
  1 1 1     -28  -16   10 o    10.92000      0.3133000       10.98000 0.4301000       10.87000      0.4557000      0.1065000      0.6266000
  1 1 1     -28  -16   11 o    3.542000      0.6670000       3.834000 0.9165000       3.251000      0.9693000      0.5830000       1.334000
  1 1 1     -28  -16   12 o    7.551000      0.5737000       8.511000 0.6994000       6.591000      0.9096000       1.921000       1.147000
  1 1 1     -28  -16   13 o    15.95000      0.3192000       15.83000 0.4483000       16.06000      0.4546000     -0.2297000      0.6385000
  1 1 1     -28  -16   14 o    2.989000      0.7071000       2.968000 0.9829000       3.010000       1.017000     -0.4276000E-01   1.414000
  1 1 1     -28  -16   15 o    5.845000      0.5065000       5.356000 0.7361000       6.335000      0.6958000     -0.9793000       1.013000
  1 1 1     -28  -16   16 o    3.653000      0.7056000       2.983000 1.030000       4.323000      0.9645000      -1.340000       1.411000
  1 1 1     -28  -16   17 f    2.411000      0.6908000       2.702000 1.019000       2.120000      0.9327000      0.5826000       1.382000
  1 1 1     -28  -16   18 o    6.098000      0.5053000       5.157000 0.7918000       7.040000      0.6280000      -1.883000       1.011000
  1 1 1     -28  -16   19 o    2.126000      0.6573000       2.106000 0.9215000       2.146000      0.9375000     -0.4016000E-01   1.315000
  1 1 1     -28  -16   20 o    6.839000      0.4408000       6.634000 0.6379000       7.043000      0.6086000     -0.4096000      0.8817000
  1 1 1     -28  -16   21 o    3.112000      0.6604000       4.234000 0.9622000       1.989000      0.9048000       2.245000       1.321000
  1 1 1     -28  -16   22 o    2.860000      0.7135000       3.242000 1.029000       2.478000      0.9888000      0.7644000       1.427000
  1 1 1     -28  -16   23 o    3.037000      0.7302000       2.829000 1.041000       3.245000       1.025000     -0.4161000       1.460000
  1 1 1     -28  -16   24 o    2.735000      0.7095000       2.722000 1.002000       2.748000       1.005000     -0.2545000E-01   1.419000
  1 1 1     -28  -15    1 o    9.075000      0.2966000       9.318000 0.4087000       8.832000      0.4299000      0.4858000      0.5932000
  1 1 1     -28  -15    2 f    2.743000      0.5731000       1.894000 0.7985000       3.592000      0.8223000      -1.698000       1.146000
  1 1 1     -28  -15    3 o    3.821000      0.5510000       3.723000 0.7638000       3.919000      0.7945000     -0.1959000       1.102000
  1 1 1     -28  -15    4 f    12.22000      0.2825000       12.24000 0.3954000       12.19000      0.4036000      0.5161000E-01  0.5650000
  1 1 1     -28  -15    5 o    14.82000      0.4137000       14.82000 0.4137000                  ?              ?              ?              ?
  1 1 1     -28  -15    6 o    6.408000      0.3861000       6.003000 0.5560000       6.813000      0.5360000     -0.8101000      0.7723000
  1 1 1     -28  -15    7 o    7.202000      0.5172000                  ?       ?   7.202000      0.5172000                  ?              ?
  1 1 1     -28  -15    8 o    8.419000      0.3345000       8.258000 0.4595000       8.579000      0.4862000     -0.3215000      0.6690000
  1 1 1     -28  -15    9 o    5.094000      0.7000000       4.552000 1.098000       5.636000      0.8690000      -1.084000       1.400000
  1 1 1     -28  -15   10 o    3.898000      0.6909000       4.292000 0.7624000       3.503000       1.152000      0.7899000       1.382000
  1 1 1     -28  -15   11 o    3.151000      0.6812000       2.812000 0.9518000       3.490000      0.9747000     -0.6777000       1.362000
  1 1 1     -28  -15   12 o    3.010000      0.8143000       3.345000 1.183000       2.675000       1.119000      0.6707000       1.629000
  1 1 1     -28  -15   13 o    4.802000      0.7931000       5.060000 1.017000       4.543000       1.218000      0.5161000       1.586000
  1 1 1     -28  -15   14 o    11.20000      0.3307000       11.86000 0.4539000       10.55000      0.4812000       1.307000      0.6615000
  1 1 1     -28  -15   15 o    6.783000      0.4492000       7.085000 0.6025000       6.481000      0.6665000      0.6045000      0.8985000
  1 1 1     -28  -15   16 o    5.054000      0.5813000       4.296000 0.9254000       5.812000      0.7036000      -1.515000       1.163000
  1 1 1     -28  -15   17 f    5.026000      0.5778000       4.935000 0.8386000       5.117000      0.7950000     -0.1820000       1.156000
  1 1 1     -28  -15   18 o    9.557000      0.3660000       9.427000 0.5110000       9.687000      0.5243000     -0.2599000      0.7321000
  1 1 1     -28  -15   19 o    2.478000      0.6956000       2.020000 0.8997000       2.935000       1.061000     -0.9148000       1.391000
  1 1 1     -28  -15   20 o    5.572000      0.5575000       5.302000 0.8194000       5.843000      0.7562000     -0.5406000       1.115000
  1 1 1     -28  -15   21 o    3.318000      0.7288000       2.740000 1.042000       3.896000       1.019000      -1.156000       1.458000
  1 1 1     -28  -15   22 o    4.035000      0.6859000       3.402000 1.056000       4.669000      0.8762000      -1.267000       1.372000
  1 1 1     -28  -15   23 o    2.617000      0.7119000       2.894000 1.044000       2.340000      0.9684000      0.5542000       1.424000
  1 1 1     -28  -15   24 o    6.144000      0.4711000       5.502000 0.7202000       6.787000      0.6076000      -1.285000      0.9423000
  1 1 1     -28  -14    1 o    11.19000      0.2761000       11.11000 0.3858000       11.27000      0.3949000     -0.1639000      0.5521000
  1 1 1     -28  -14    2 o    11.59000      0.2770000       11.78000 0.3874000       11.40000      0.3959000      0.3763000      0.5539000
  1 1 1     -28  -14    3 o    2.256000      0.5914000       1.737000 0.7664000       2.774000      0.9008000      -1.038000       1.183000
  1 1 1     -28  -14    4 o    11.14000      0.2859000       10.85000 0.3966000       11.44000      0.4118000     -0.5893000      0.5717000
  1 1 1     -28  -14    5 o    7.344000      0.3323000       7.361000 0.4786000       7.327000      0.4610000      0.3442000E-01  0.6645000
  1 1 1     -28  -14    6 o    6.251000      0.3877000       5.779000 0.5698000       6.723000      0.5257000     -0.9444000      0.7753000
  1 1 1     -28  -14    7 o    4.201000      0.5499000       3.521000 0.8504000       4.881000      0.6975000      -1.361000       1.100000
  1 1 1     -28  -14    8 o    6.345000      0.3909000       6.400000 0.5433000       6.291000      0.5621000      0.1090000      0.7818000
  1 1 1     -28  -14    9 f    3.573000      0.7962000       3.449000 1.158000       3.696000       1.093000     -0.2467000       1.592000
  1 1 1     -28  -14   10 f    13.48000      0.4222000       12.85000 0.6089000       14.11000      0.5849000      -1.262000      0.8444000
  1 1 1     -28  -14   11 o    10.27000      0.3237000       10.27000 0.4509000       10.28000      0.4647000     -0.1456000E-02  0.6475000
  1 1 1     -28  -14   12 o    8.843000      0.5094000       8.837000 0.6739000       8.850000      0.7640000     -0.1305000E-01   1.019000
  1 1 1     -28  -14   13 o    14.93000      0.4459000       14.40000 0.6005000       15.46000      0.6594000      -1.063000      0.8918000
  1 1 1     -28  -14   14 o    15.80000      0.3202000       16.21000 0.4540000       15.38000      0.4515000      0.8372000      0.6403000
  1 1 1     -28  -14   15 o    3.050000      0.7335000       3.324000 1.027000       2.775000       1.047000      0.5493000       1.467000
  1 1 1     -28  -14   16 o    6.367000      0.4764000       6.563000 0.6625000       6.170000      0.6847000      0.3929000      0.9527000
  1 1 1     -28  -14   17 o    5.110000      0.5948000       5.663000 0.7410000       4.557000      0.9307000       1.107000       1.190000
  1 1 1     -28  -14   18 o    11.04000      0.3382000       10.79000 0.4743000       11.29000      0.4823000     -0.5025000      0.6765000
  1 1 1     -28  -14   19 o    3.668000      0.7223000       3.429000 1.014000       3.907000       1.029000     -0.4779000       1.445000
  1 1 1     -28  -14   20 o    4.692000      0.6475000       4.489000 0.9435000       4.896000      0.8870000     -0.4069000       1.295000
  1 1 1     -28  -14   21 o    4.473000      0.6456000       4.122000 0.9633000       4.823000      0.8598000     -0.7010000       1.291000
  1 1 1     -28  -14   22 o    6.890000      0.4337000       6.923000 0.6170000       6.857000      0.6097000      0.6639000E-01  0.8675000
  1 1 1     -28  -14   23 o    4.437000      0.6421000       4.956000 0.8431000       3.919000      0.9686000       1.037000       1.284000
  1 1 1     -28  -14   24 o    7.618000      0.3923000       7.862000 0.5399000       7.375000      0.5693000      0.4868000      0.7846000
  1 1 1     -28  -14   25 o    3.633000       1.006000                  ?       ?   3.633000       1.006000                  ?              ?
  1 1 1     -28  -13    1 o    4.623000      0.4654000       4.688000 0.6438000       4.558000      0.6723000      0.1303000      0.9309000
  1 1 1     -28  -13    2 o    6.738000      0.3392000       7.164000 0.4497000       6.312000      0.5080000      0.8518000      0.6784000
  1 1 1     -28  -13    3 o    11.36000      0.2748000       11.38000 0.3862000       11.34000      0.3910000      0.4352000E-01  0.5496000
  1 1 1     -28  -13    4 o    9.181000      0.2985000       9.046000 0.4180000       9.315000      0.4263000     -0.2686000      0.5971000
  1 1 1     -28  -13    5 o    4.267000      0.5193000       3.844000 0.7734000       4.691000      0.6932000     -0.8466000       1.039000
  1 1 1     -28  -13    6 o    2.107000      0.6168000       2.124000 0.8672000       2.090000      0.8774000      0.3367000E-01   1.234000
  1 1 1     -28  -13    7 o    11.79000      0.2929000       11.47000 0.4147000       12.10000      0.4136000     -0.6286000      0.5857000
  1 1 1     -28  -13    8 o    12.27000      0.2909000       11.77000 0.4074000       12.77000      0.4153000     -0.9963000      0.5818000
  1 1 1     -28  -13    9 o    6.964000      0.3775000       6.208000 0.5623000       7.719000      0.5037000      -1.512000      0.7549000
  1 1 1     -28  -13   10 o    15.85000      0.4269000       15.52000 0.6088000       16.18000      0.5986000     -0.6628000      0.8538000
  1 1 1     -28  -13   11 o    3.061000      0.6820000       3.247000 0.9456000       2.876000      0.9830000      0.3716000       1.364000
  1 1 1     -28  -13   12 o    3.393000      0.6643000       3.199000 0.9529000       3.586000      0.9259000     -0.3871000       1.329000
  1 1 1     -28  -13   13 o    11.81000      0.4454000       11.30000 0.6146000       12.33000      0.6447000      -1.027000      0.8907000
  1 1 1     -28  -13   14 o    5.599000      0.4884000       5.674000 0.6709000       5.525000      0.7098000      0.1491000      0.9767000
  1 1 1     -28  -13   15 o    14.45000      0.3230000       14.23000 0.4534000       14.67000      0.4601000     -0.4438000      0.6460000
  1 1 1     -28  -13   16 o    6.317000      0.4634000       5.819000 0.6902000       6.815000      0.6184000     -0.9956000      0.9267000
  1 1 1     -28  -13   17 o    2.342000      0.6816000       1.985000 0.8959000       2.700000       1.028000     -0.7157000       1.363000
  1 1 1     -28  -13   18 o    10.39000      0.3479000       9.967000 0.4976000       10.80000      0.4865000     -0.8367000      0.6959000
  1 1 1     -28  -13   19 o    3.797000      0.6968000       3.945000 0.9567000       3.650000       1.013000      0.2948000       1.394000
  1 1 1     -28  -13   20 o    4.907000      0.6111000       4.468000 0.9071000       5.347000      0.8192000     -0.8792000       1.222000
  1 1 1     -28  -13   21 o    1.858000      0.6050000       1.762000 0.8261000       1.953000      0.8840000     -0.1902000       1.210000
  1 1 1     -28  -13   22 o    5.934000      0.5138000       5.435000 0.7859000       6.433000      0.6621000     -0.9976000       1.028000
  1 1 1     -28  -13   23 o    4.785000      0.5977000       5.122000 0.8339000       4.447000      0.8566000      0.6749000       1.195000
  1 1 1     -28  -13   24 o    3.382000      0.7092000       3.497000 0.9970000       3.267000       1.009000      0.2297000       1.418000
  1 1 1     -28  -13   25 o    3.415000      0.6968000       2.569000 0.8935000       4.261000       1.070000      -1.692000       1.394000
  1 1 1     -28  -12    1 o    9.118000      0.2850000       9.046000 0.4004000       9.189000      0.4056000     -0.1422000      0.5699000
  1 1 1     -28  -12    2 o    7.651000      0.3143000       7.814000 0.4294000       7.487000      0.4590000      0.3266000      0.6285000
  1 1 1     -28  -12    3 o    5.223000      0.4152000       5.117000 0.5901000       5.329000      0.5844000     -0.2121000      0.8305000
  1 1 1     -28  -12    4 o    5.138000      0.4378000       4.946000 0.6261000       5.331000      0.6120000     -0.3856000      0.8755000
  1 1 1     -28  -12    5 o    6.373000      0.3778000       6.729000 0.4944000       6.016000      0.5712000      0.7127000      0.7555000
  1 1 1     -28  -12    6 o    5.179000      0.4435000       5.670000 0.5793000       4.689000      0.6716000      0.9807000      0.8869000
  1 1 1     -28  -12    7 o    6.666000      0.3658000       6.767000 0.5063000       6.566000      0.5280000      0.2012000      0.7315000
  1 1 1     -28  -12    8 o    7.174000      0.3528000       7.204000 0.4804000       7.143000      0.5169000      0.6084000E-01  0.7057000
  1 1 1     -28  -12    9 o    4.889000      0.5109000       5.266000 0.6578000       4.513000      0.7819000      0.7529000       1.022000
  1 1 1     -28  -12   10 o    5.817000      0.6102000       5.712000 0.8894000       5.922000      0.8356000     -0.2092000       1.220000
  1 1 1     -28  -12   11 o    14.75000      0.3040000       14.54000 0.4234000       14.96000      0.4363000     -0.4260000      0.6079000
  1 1 1     -28  -12   12 o    10.15000      0.3235000       10.12000 0.4563000       10.19000      0.4587000     -0.6470000E-01  0.6470000
  1 1 1     -28  -12   13 f    5.677000      0.6760000       5.346000 0.9227000       6.007000      0.9882000     -0.6613000       1.352000
  1 1 1     -28  -12   14 o    4.436000      0.6018000       3.903000 0.9220000       4.969000      0.7736000      -1.066000       1.204000
  1 1 1     -28  -12   15 o    9.500000      0.3534000       9.447000 0.4950000       9.554000      0.5046000     -0.1071000      0.7069000
  1 1 1     -28  -12   16 o    3.738000      0.7025000       3.382000 0.9974000       4.095000      0.9896000     -0.7128000       1.405000
  1 1 1     -28  -12   17 o    3.152000      0.7171000       2.774000 1.020000       3.530000       1.008000     -0.7563000       1.434000
  1 1 1     -28  -12   18 o    8.146000      0.4983000       7.920000 0.8292000       8.372000      0.5529000     -0.4515000      0.9966000
  1 1 1     -28  -12   19 o    3.514000      0.7213000       3.099000 1.025000       3.928000       1.015000     -0.8296000       1.443000
  1 1 1     -28  -12   20 o    3.319000      0.7261000       3.062000 1.031000       3.577000       1.023000     -0.5144000       1.452000
  1 1 1     -28  -12   21 o    6.145000      0.4742000       6.177000 0.6689000       6.113000      0.6725000      0.6322000E-01  0.9485000
  1 1 1     -28  -12   22 o    9.524000      0.3602000       9.263000 0.5263000       9.785000      0.4919000     -0.5215000      0.7204000
  1 1 1     -28  -12   23 o    4.393000      0.6523000       5.104000 0.8403000       3.682000      0.9979000       1.423000       1.305000
  1 1 1     -28  -12   24 o    3.737000      0.6970000       4.192000 0.9412000       3.283000       1.028000      0.9087000       1.394000
  1 1 1     -28  -12   25 o    4.520000      0.6358000       3.926000 1.049000       5.113000      0.7181000      -1.187000       1.272000
  1 1 1     -28  -11    1 o    2.359000      0.5800000       1.711000 0.7637000       3.007000      0.8731000      -1.296000       1.160000
  1 1 1     -28  -11    2 o    2.273000      0.5738000       2.839000 0.8540000       1.706000      0.7666000       1.133000       1.148000
  1 1 1     -28  -11    3 f    2.293000      0.5777000       2.876000 0.8672000       1.710000      0.7637000       1.166000       1.155000
  1 1 1     -28  -11    4 o    3.959000      0.5581000       4.095000 0.7480000       3.823000      0.8284000      0.2721000       1.116000
  1 1 1     -28  -11    5 o    1.788000      0.5535000       2.045000 0.8406000       1.532000      0.7202000      0.5136000       1.107000
  1 1 1     -28  -11    6 o    5.956000      0.5734000       5.956000 0.5734000                  ?              ?              ?              ?
  1 1 1     -28  -11    7 o    5.780000      0.4123000       5.161000 0.6216000       6.398000      0.5418000      -1.237000      0.8246000
  1 1 1     -28  -11    8 o    4.269000      0.7837000                  ?       ?   4.269000      0.7837000                  ?              ?
  1 1 1     -28  -11    9 o    9.929000      0.3107000       9.586000 0.4427000       10.27000      0.4361000     -0.6859000      0.6214000
  1 1 1     -28  -11   10 o    7.750000      0.4982000       6.903000 0.7708000       8.598000      0.6313000      -1.695000      0.9964000
  1 1 1     -28  -11   11 o    10.05000      0.3193000       10.28000 0.4376000       9.822000      0.4650000      0.4575000      0.6385000
  1 1 1     -28  -11   12 o    9.324000      0.3332000       9.087000 0.4734000       9.562000      0.4691000     -0.4756000      0.6664000
  1 1 1     -28  -11   13 o    4.381000      0.7693000       5.522000 0.9525000       3.239000       1.208000       2.284000       1.539000
  1 1 1     -28  -11   14 o    6.094000      0.4663000       5.776000 0.6873000       6.412000      0.6304000     -0.6358000      0.9326000
  1 1 1     -28  -11   15 o    4.047000      0.6655000       4.532000 0.8549000       3.561000       1.020000      0.9712000       1.331000
  1 1 1     -28  -11   16 o    2.211000      0.6595000       1.851000 0.8508000       2.571000       1.008000     -0.7200000       1.319000
  1 1 1     -28  -11   17 f    3.153000      0.7108000       2.669000 1.011000       3.638000      0.9996000     -0.9694000       1.422000
  1 1 1     -28  -11   18 o    6.887000      0.4604000       7.673000 0.5828000       6.102000      0.7130000       1.571000      0.9209000
  1 1 1     -28  -11   19 o    8.047000      0.3962000       7.785000 0.5643000       8.309000      0.5563000     -0.5245000      0.7924000
  1 1 1     -28  -11   20 o    3.626000      0.7254000       3.697000 1.007000       3.556000       1.045000      0.1412000       1.451000
  1 1 1     -28  -11   21 o    6.264000      0.4664000       6.303000 0.6555000       6.225000      0.6635000      0.7841000E-01  0.9328000
  1 1 1     -28  -11   22 o    5.730000      0.5093000       6.107000 0.6728000       5.353000      0.7648000      0.7535000       1.019000
  1 1 1     -28  -11   23 o    5.537000      0.5234000       5.917000 0.7186000       5.158000      0.7613000      0.7592000       1.047000
  1 1 1     -28  -11   24 o    2.809000      0.7168000       2.769000 1.011000       2.849000       1.016000     -0.7931000E-01   1.434000
  1 1 1     -28  -11   25 o    5.409000      0.5845000       5.024000 0.8303000       5.795000      0.8230000     -0.7707000       1.169000
  1 1 1     -28  -10    1 o    11.92000      0.2730000       11.44000 0.3781000       12.39000      0.3940000     -0.9497000      0.5460000
  1 1 1     -28  -10    2 o    9.452000      0.2833000       9.777000 0.4016000       9.127000      0.3996000      0.6495000      0.5666000
  1 1 1     -28  -10    3 f    3.913000      0.5484000       3.904000 0.7748000       3.923000      0.7762000     -0.1898000E-01   1.097000
  1 1 1     -28  -10    4 o    3.116000      0.6111000       3.481000 0.8075000       2.751000      0.9174000      0.7300000       1.222000
  1 1 1     -28  -10    5 o    3.385000      0.5841000       2.562000 0.8998000       4.209000      0.7449000      -1.647000       1.168000
  1 1 1     -28  -10    6 o    14.34000      0.4126000       14.34000 0.4126000                  ?              ?              ?              ?
  1 1 1     -28  -10    7 o    8.237000      0.3312000       8.415000 0.4546000       8.058000      0.4817000      0.3569000      0.6624000
  1 1 1     -28  -10    8 f    6.093000      0.5661000                  ?       ?   6.093000      0.5661000                  ?              ?
  1 1 1     -28  -10    9 o    6.469000      0.4047000       6.204000 0.6039000       6.735000      0.5389000     -0.5311000      0.8094000
  1 1 1     -28  -10   10 o    10.57000      0.4248000       10.71000 0.6134000       10.44000      0.5877000      0.2681000      0.8495000
  1 1 1     -28  -10   11 o    5.226000      0.4771000       5.156000 0.6842000       5.296000      0.6651000     -0.1401000      0.9541000
  1 1 1     -28  -10   12 o    3.106000      0.6725000       3.508000 0.9188000       2.705000      0.9822000      0.8035000       1.345000
  1 1 1     -28  -10   13 o    4.675000      0.7446000       5.700000 0.8899000       3.650000       1.194000       2.050000       1.489000
  1 1 1     -28  -10   14 o    3.326000      0.6721000       3.988000 0.9210000       2.664000      0.9791000       1.324000       1.344000
  1 1 1     -28  -10   15 o    6.061000      0.4602000       5.495000 0.7030000       6.628000      0.5940000      -1.134000      0.9204000
  1 1 1     -28  -10   16 o    2.663000      0.7569000       2.735000 1.141000       2.590000      0.9952000      0.1450000       1.514000
  1 1 1     -28  -10   17 o    3.215000      0.7135000       2.996000 1.023000       3.434000      0.9952000     -0.4380000       1.427000
  1 1 1     -28  -10   18 o    7.948000      0.3821000       8.199000 0.5301000       7.696000      0.5504000      0.5022000      0.7642000
  1 1 1     -28  -10   19 o    5.837000      0.4890000       6.280000 0.6202000       5.394000      0.7563000      0.8855000      0.9781000
  1 1 1     -28  -10   20 o    2.408000      0.6806000       2.460000 0.9673000       2.356000      0.9578000      0.1038000       1.361000
  1 1 1     -28  -10   21 o    2.505000      0.6926000       2.585000 0.9826000       2.424000      0.9763000      0.1607000       1.385000
  1 1 1     -28  -10   22 o    2.634000      0.6580000       1.950000 0.8731000       3.317000      0.9845000      -1.367000       1.316000
  1 1 1     -28  -10   23 o    5.066000      0.5494000       5.175000 0.7650000       4.958000      0.7888000      0.2168000       1.099000
  1 1 1     -28  -10   24 o    3.914000      0.5846000       5.517000 0.6892000       2.311000      0.9445000       3.206000       1.169000
  1 1 1     -28   -9    1 o    2.085000      0.5569000       2.575000 0.8406000       1.594000      0.7309000      0.9809000       1.114000
  1 1 1     -28   -9    2 o    9.711000      0.2747000       9.526000 0.3859000       9.896000      0.3910000     -0.3702000      0.5493000
  1 1 1     -28   -9    3 o    7.307000      0.3108000       7.125000 0.4386000       7.488000      0.4404000     -0.3631000      0.6215000
  1 1 1     -28   -9    4 o    5.728000      0.3713000       6.210000 0.4812000       5.246000      0.5657000      0.9636000      0.7427000
  1 1 1     -28   -9    5 o    6.844000      0.3361000       6.548000 0.4821000       7.140000      0.4683000     -0.5913000      0.6721000
  1 1 1     -28   -9    6 o    11.30000      0.2865000       11.28000 0.4006000       11.32000      0.4097000     -0.3703000E-01  0.5731000
  1 1 1     -28   -9    7 o    8.297000      0.3205000       8.173000 0.4608000       8.421000      0.4456000     -0.2475000      0.6410000
  1 1 1     -28   -9    8 o    4.715000      0.4923000       4.672000 0.6995000       4.759000      0.6928000     -0.8699000E-01  0.9845000
  1 1 1     -28   -9    9 o    13.30000      0.2947000       13.41000 0.4215000       13.19000      0.4121000      0.2222000      0.5895000
  1 1 1     -28   -9   10 o    11.60000      0.4061000       11.15000 0.5938000       12.05000      0.5542000     -0.9030000      0.8122000
  1 1 1     -28   -9   11 o    5.947000      0.4201000       5.580000 0.6202000       6.314000      0.5670000     -0.7336000      0.8403000
  1 1 1     -28   -9   12 o    2.696000      0.6237000       2.456000 0.8761000       2.936000      0.8879000     -0.4792000       1.247000
  1 1 1     -28   -9   13 o    2.303000      0.7249000       2.394000 1.043000       2.212000       1.007000      0.1823000       1.450000
  1 1 1     -28   -9   14 o    3.498000      0.6810000       2.926000 1.007000       4.070000      0.9175000      -1.144000       1.362000
  1 1 1     -28   -9   15 o    3.895000      0.6605000       4.217000 0.9068000       3.572000      0.9607000      0.6457000       1.321000
  1 1 1     -28   -9   16 o    5.416000      0.5143000       5.302000 0.7601000       5.529000      0.6930000     -0.2265000       1.029000
  1 1 1     -28   -9   17 o    10.09000      0.3387000       10.42000 0.4736000       9.751000      0.4843000      0.6735000      0.6774000
  1 1 1     -28   -9   18 o    5.803000      0.4972000       4.998000 0.7983000       6.608000      0.5929000      -1.610000      0.9944000
  1 1 1     -28   -9   19 o    2.466000      0.6715000       1.993000 0.8831000       2.938000       1.012000     -0.9453000       1.343000
  1 1 1     -28   -9   20 o    2.002000      0.6169000       2.272000 0.9342000       1.731000      0.8061000      0.5407000       1.234000
  1 1 1     -28   -9   21 o    4.694000      0.6080000       3.640000 0.9973000       5.749000      0.6956000      -2.109000       1.216000
  1 1 1     -28   -9   22 o    2.841000      0.7128000       2.777000 1.007000       2.904000       1.009000     -0.1270000       1.426000
  1 1 1     -28   -9   23 o    3.803000      0.6931000       3.539000 1.038000       4.066000      0.9191000     -0.5276000       1.386000
  1 1 1     -28   -9   24 o    2.972000      0.5950000       1.806000 0.8247000       4.137000      0.8580000      -2.331000       1.190000
  1 1 1     -28   -8    1 o    12.98000      0.2701000       12.89000 0.3774000       13.06000      0.3865000     -0.1636000      0.5402000
  1 1 1     -28   -8    2 o    17.44000      0.2971000       17.17000 0.4139000       17.70000      0.4263000     -0.5292000      0.5942000
  1 1 1     -28   -8    3 o    7.557000      0.3029000       7.849000 0.4133000       7.264000      0.4428000      0.5858000      0.6057000
  1 1 1     -28   -8    4 o    4.318000      0.4581000       4.868000 0.5614000       3.767000      0.7240000       1.101000      0.9162000
  1 1 1     -28   -8    5 o    4.732000      0.4409000       4.682000 0.6105000       4.782000      0.6363000     -0.1003000      0.8819000
  1 1 1     -28   -8    6 o    7.490000      0.3348000       7.100000 0.4765000       7.880000      0.4705000     -0.7794000      0.6696000
  1 1 1     -28   -8    7 o    5.495000      0.4440000       5.933000 0.5637000       5.056000      0.6862000      0.8771000      0.8880000
  1 1 1     -28   -8    8 o    4.101000      0.5472000       3.850000 0.8341000       4.353000      0.7086000     -0.5031000       1.094000
  1 1 1     -28   -8    9 o    3.959000      0.6498000       4.054000 1.085000       3.864000      0.7161000      0.1895000       1.300000
  1 1 1     -28   -8   10 o    10.99000      0.4132000       11.07000 0.5847000       10.90000      0.5841000      0.1684000      0.8265000
  1 1 1     -28   -8   11 o    3.323000      0.6329000       2.687000 0.9394000       3.960000      0.8485000      -1.272000       1.266000
  1 1 1     -28   -8   12 o    11.15000      0.4510000       10.99000 0.6189000       11.31000      0.6561000     -0.3207000      0.9019000
  1 1 1     -28   -8   13 o    7.711000      0.5312000       7.544000 0.7371000       7.877000      0.7650000     -0.3325000       1.062000
  1 1 1     -28   -8   14 o    4.053000      0.6234000       3.174000 0.9927000       4.931000      0.7543000      -1.757000       1.247000
  1 1 1     -28   -8   15 o    6.512000      0.4239000       6.587000 0.5990000       6.438000      0.6000000      0.1489000      0.8478000
  1 1 1     -28   -8   16 o    2.754000      0.6515000       2.043000 0.8971000       3.464000      0.9451000      -1.421000       1.303000
  1 1 1     -28   -8   17 o    8.739000      0.3524000       8.581000 0.5024000       8.897000      0.4944000     -0.3164000      0.7049000
  1 1 1     -28   -8   18 o    5.812000      0.4696000       6.112000 0.6432000       5.512000      0.6845000      0.6000000      0.9393000
  1 1 1     -28   -8   19 o    11.59000      0.3155000       11.64000 0.4456000       11.54000      0.4468000      0.9544000E-01  0.6310000
  1 1 1     -28   -8   20 o    3.964000      0.6378000       4.220000 0.8495000       3.707000      0.9516000      0.5131000       1.276000
  1 1 1     -28   -8   21 o    6.413000      0.4358000       6.046000 0.6443000       6.779000      0.5870000     -0.7328000      0.8717000
  1 1 1     -28   -8   22 o    3.921000      0.6582000       3.437000 0.9943000       4.406000      0.8628000     -0.9690000       1.316000
  1 1 1     -28   -8   23 o    2.105000      0.6241000       1.738000 0.8052000       2.472000      0.9538000     -0.7342000       1.248000
  1 1 1     -28   -8   24 o    2.453000      0.6660000       2.783000 0.9920000       2.123000      0.8888000      0.6598000       1.332000
  1 1 1     -28   -7    1 o    11.16000      0.2655000       11.06000 0.3704000       11.26000      0.3804000     -0.1990000      0.5309000
  1 1 1     -28   -7    2 o    6.063000      0.3554000       5.165000 0.5551000       6.961000      0.4440000      -1.796000      0.7108000
  1 1 1     -28   -7    3 f    7.587000      0.2992000       7.825000 0.4237000       7.348000      0.4225000      0.4772000      0.5984000
  1 1 1     -28   -7    4 o    5.698000      0.3691000       5.553000 0.5335000       5.844000      0.5101000     -0.2910000      0.7381000
  1 1 1     -28   -7    5 o    2.714000      0.6072000       2.603000 0.8511000       2.826000      0.8662000     -0.2231000       1.214000
  1 1 1     -28   -7    6 o    7.593000      0.3151000       7.095000 0.4628000       8.091000      0.4276000     -0.9958000      0.6301000
  1 1 1     -28   -7    7 o    9.160000      0.4124000       9.160000 0.4124000                  ?              ?              ?              ?
  1 1 1     -28   -7    8 o    7.080000      0.3413000       6.650000 0.5009000       7.509000      0.4638000     -0.8585000      0.6827000
  1 1 1     -28   -7    9 o    2.313000      0.9497000                  ?       ?   2.313000      0.9497000                  ?              ?
  1 1 1     -28   -7   10 o    5.950000      0.5615000       5.854000 0.8590000       6.046000      0.7234000     -0.1923000       1.123000
  1 1 1     -28   -7   11 o    3.349000      0.6369000       3.849000 0.8644000       2.849000      0.9357000      0.9994000       1.274000
  1 1 1     -28   -7   12 o    10.70000      0.4538000       10.61000 0.6240000       10.80000      0.6589000     -0.1895000      0.9075000
  1 1 1     -28   -7   13 o    4.268000      0.5972000       4.845000 0.7370000       3.692000      0.9399000       1.153000       1.194000
  1 1 1     -28   -7   14 o    4.144000      0.6075000       3.927000 0.8860000       4.362000      0.8313000     -0.4346000       1.215000
  1 1 1     -28   -7   15 f    4.594000      0.5643000       5.020000 0.7515000       4.168000      0.8420000      0.8520000       1.129000
  1 1 1     -28   -7   16 f    5.485000      0.4887000       5.721000 0.6695000       5.248000      0.7122000      0.4733000      0.9775000
  1 1 1     -28   -7   17 o    2.247000      0.6572000       2.267000 0.9381000       2.227000      0.9208000      0.3964000E-01   1.314000
  1 1 1     -28   -7   18 o    4.579000      0.5595000       4.306000 0.8341000       4.852000      0.7461000     -0.5466000       1.119000
  1 1 1     -28   -7   19 o    10.86000      0.3182000       10.81000 0.4480000       10.91000      0.4520000     -0.1005000      0.6364000
  1 1 1     -28   -7   20 o    2.635000      0.6532000       2.013000 0.8860000       3.257000      0.9601000      -1.245000       1.306000
  1 1 1     -28   -7   21 o    3.104000      0.6877000       3.554000 0.9594000       2.654000      0.9855000      0.9000000       1.375000
  1 1 1     -28   -7   22 o    1.980000      0.6102000       1.655000 0.7843000       2.304000      0.9349000     -0.6488000       1.220000
  1 1 1     -28   -7   23 o    3.613000      0.6624000       4.104000 0.9032000       3.121000      0.9693000      0.9825000       1.325000
  1 1 1     -28   -7   24 o    3.291000      0.6845000       3.323000 0.9619000       3.259000      0.9741000      0.6418000E-01   1.369000
  1 1 1     -28   -6    1 o    10.74000      0.2671000       10.92000 0.3690000       10.55000      0.3862000      0.3706000      0.5341000
  1 1 1     -28   -6    2 o    8.716000      0.2812000       8.448000 0.3946000       8.983000      0.4007000     -0.5347000      0.5624000
  1 1 1     -28   -6    3 o    3.708000      0.5415000       3.796000 0.7540000       3.620000      0.7775000      0.1760000       1.083000
  1 1 1     -28   -6    4 o    8.496000      0.2893000       8.183000 0.4168000       8.809000      0.4013000     -0.6260000      0.5786000
  1 1 1     -28   -6    5 o    4.474000      0.4680000       4.190000 0.6946000       4.758000      0.6274000     -0.5676000      0.9360000
  1 1 1     -28   -6    6 o    11.15000      0.2771000       11.24000 0.3936000       11.07000      0.3900000      0.1708000      0.5541000
  1 1 1     -28   -6    7 o    8.010000      0.4356000       8.010000 0.4356000                  ?              ?              ?              ?
  1 1 1     -28   -6    8 o    7.569000      0.3328000       7.788000 0.4551000       7.351000      0.4856000      0.4371000      0.6655000
  1 1 1     -28   -6    9 o    3.504000       1.049000                  ?       ?   3.504000       1.049000                  ?              ?
  1 1 1     -28   -6   10 o    4.845000      0.4941000       4.945000 0.6863000       4.746000      0.7111000      0.1982000      0.9883000
  1 1 1     -28   -6   11 o    4.581000      0.5371000       4.861000 0.6991000       4.302000      0.8156000      0.5586000       1.074000
  1 1 1     -28   -6   12 o    2.458000      0.7393000       2.773000 1.102000       2.143000      0.9860000      0.6299000       1.479000
  1 1 1     -28   -6   13 f    7.036000      0.3848000       6.756000 0.5543000       7.316000      0.5338000     -0.5596000      0.7695000
  1 1 1     -28   -6   14 o    7.545000      0.3676000       7.338000 0.5267000       7.752000      0.5130000     -0.4138000      0.7352000
  1 1 1     -28   -6   15 o    4.296000      0.5779000       4.348000 0.8280000       4.245000      0.8065000      0.1029000       1.156000
  1 1 1     -28   -6   16 o    2.793000      0.6754000       3.037000 0.9636000       2.550000      0.9467000      0.4868000       1.351000
  1 1 1     -28   -6   17 o    2.897000      0.6845000       2.646000 0.9666000       3.147000      0.9696000     -0.5008000       1.369000
  1 1 1     -28   -6   18 o    3.685000      0.6656000       4.012000 0.9004000       3.358000      0.9803000      0.6542000       1.331000
  1 1 1     -28   -6   19 o    8.545000      0.3509000       8.595000 0.4888000       8.495000      0.5035000      0.9974000E-01  0.7018000
  1 1 1     -28   -6   20 o    3.837000      0.6409000       3.746000 0.9131000       3.929000      0.8996000     -0.1834000       1.282000
  1 1 1     -28   -6   21 o    2.392000      0.6466000       2.953000 0.9975000       1.831000      0.8230000       1.122000       1.293000
  1 1 1     -28   -6   22 f    3.204000      0.6633000       2.474000 0.9722000       3.935000      0.9026000      -1.461000       1.327000
  1 1 1     -28   -6   23 o    1.917000      0.6034000       1.979000 0.8685000       1.854000      0.8379000      0.1245000       1.207000
  1 1 1     -28   -6   24 o    2.530000      0.5980000       3.255000 0.8944000       1.806000      0.7941000       1.449000       1.196000
  1 1 1     -28   -5    1 o    10.83000      0.2658000       10.89000 0.3723000       10.78000      0.3796000      0.1106000      0.5317000
  1 1 1     -28   -5    2 o    2.709000      0.5799000       2.311000 0.8389000       3.107000      0.8009000     -0.7963000       1.160000
  1 1 1     -28   -5    3 o    5.549000      0.3673000       5.394000 0.5241000       5.704000      0.5147000     -0.3096000      0.7346000
  1 1 1     -28   -5    4 f    12.74000      0.2711000       12.84000 0.3836000       12.65000      0.3831000      0.1861000      0.5421000
  1 1 1     -28   -5    5 o    5.025000      0.4052000       5.307000 0.5544000       4.744000      0.5911000      0.5637000      0.8104000
  1 1 1     -28   -5    6 o    8.263000      0.3061000       8.185000 0.4343000       8.342000      0.4315000     -0.1564000      0.6122000
  1 1 1     -28   -5    7 o    2.855000      0.6378000       3.138000 0.8848000       2.572000      0.9189000      0.5658000       1.276000
  1 1 1     -28   -5    8 o    7.123000      0.3193000       7.294000 0.4409000       6.952000      0.4619000      0.3423000      0.6386000
  1 1 1     -28   -5    9 o    2.272000      0.6627000       2.184000 0.9357000       2.360000      0.9386000     -0.1766000       1.325000
  1 1 1     -28   -5   10 o    4.258000      0.5224000       4.119000 0.7552000       4.397000      0.7221000     -0.2782000       1.045000
  1 1 1     -28   -5   11 o    2.351000      0.7118000       2.732000 1.082000       1.971000      0.9250000      0.7605000       1.424000
  1 1 1     -28   -5   12 o    4.797000      0.7458000       4.983000 1.019000       4.612000       1.089000      0.3708000       1.492000
  1 1 1     -28   -5   13 o    2.572000      0.6041000       3.448000 0.9214000       1.695000      0.7816000       1.753000       1.208000
  1 1 1     -28   -5   14 o    7.190000      0.3655000       7.244000 0.5064000       7.136000      0.5271000      0.1075000      0.7309000
  1 1 1     -28   -5   15 o    2.698000      0.6255000       2.102000 0.8745000       3.295000      0.8946000      -1.193000       1.251000
  1 1 1     -28   -5   16 o    6.178000      0.4039000       6.621000 0.5511000       5.735000      0.5906000      0.8855000      0.8078000
  1 1 1     -28   -5   17 o    2.105000      0.6170000       1.741000 0.7935000       2.470000      0.9451000     -0.7299000       1.234000
  1 1 1     -28   -5   18 o    8.382000      0.3508000       8.484000 0.5010000       8.280000      0.4911000      0.2032000      0.7016000
  1 1 1     -28   -5   19 o    7.593000      0.3731000       7.397000 0.5239000       7.788000      0.5314000     -0.3905000      0.7462000
  1 1 1     -28   -5   20 o    5.029000      0.5072000       4.972000 0.7062000       5.085000      0.7282000     -0.1129000       1.014000
  1 1 1     -28   -5   21 o    2.159000      0.6397000       2.045000 0.8807000       2.274000      0.9280000     -0.2289000       1.279000
  1 1 1     -28   -5   22 o    2.026000      0.5875000       1.448000 0.7011000       2.605000      0.9428000      -1.157000       1.175000
  1 1 1     -28   -5   23 o    4.365000      0.5598000       4.793000 0.7369000       3.937000      0.8429000      0.8558000       1.120000
  1 1 1     -28   -4    1 o    6.335000      0.3223000       5.943000 0.4697000       6.728000      0.4415000     -0.7854000      0.6446000
  1 1 1     -28   -4    2 o    4.168000      0.4653000       4.028000 0.6684000       4.308000      0.6474000     -0.2807000      0.9306000
  1 1 1     -28   -4    3 o    8.998000      0.2822000       8.560000 0.4053000       9.437000      0.3928000     -0.8770000      0.5644000
  1 1 1     -28   -4    4 o    5.857000      0.3536000       5.828000 0.5000000       5.885000      0.5000000     -0.5715000E-01  0.7071000
  1 1 1     -28   -4    5 o    11.09000      0.2743000       11.09000 0.3898000       11.08000      0.3861000      0.1180000E-01  0.5486000
  1 1 1     -28   -4    6 f    5.103000      0.4341000       5.510000 0.5709000       4.696000      0.6542000      0.8146000      0.8683000
  1 1 1     -28   -4    7 o    1.915000      0.5790000       1.951000 0.8198000       1.879000      0.8180000      0.7252000E-01   1.158000
  1 1 1     -28   -4    8 o    3.076000      0.6835000       2.255000 0.9402000       3.897000      0.9925000      -1.642000       1.367000
  1 1 1     -28   -4    9 o    6.325000      0.3872000       6.106000 0.5611000       6.544000      0.5338000     -0.4381000      0.7745000
  1 1 1     -28   -4   10 o    3.699000      0.6039000       3.579000 0.8856000       3.819000      0.8213000     -0.2397000       1.208000
  1 1 1     -28   -4   11 o    5.880000      0.6420000       5.025000 0.9884000       6.735000      0.8194000      -1.710000       1.284000
  1 1 1     -28   -4   12 f    3.493000      0.5906000       2.590000 0.9404000       4.397000      0.7149000      -1.807000       1.181000
  1 1 1     -28   -4   13 o    2.613000      0.6240000       2.035000 0.8543000       3.192000      0.9097000      -1.156000       1.248000
  1 1 1     -28   -4   14 o    10.70000      0.3080000       10.66000 0.4347000       10.73000      0.4365000     -0.6750000E-01  0.6160000
  1 1 1     -28   -4   15 f    4.125000      0.5798000       4.033000 0.8306000       4.218000      0.8091000     -0.1854000       1.160000
  1 1 1     -28   -4   16 o    5.579000      0.4537000       5.708000 0.6156000       5.450000      0.6666000      0.2583000      0.9074000
  1 1 1     -28   -4   17 o    2.298000      0.6262000       1.969000 0.8452000       2.628000      0.9243000     -0.6589000       1.252000
  1 1 1     -28   -4   18 o    5.306000      0.4881000       4.465000 0.7855000       6.147000      0.5796000      -1.682000      0.9762000
  1 1 1     -28   -4   19 o    2.120000      0.6287000       2.017000 0.8716000       2.224000      0.9064000     -0.2073000       1.257000
  1 1 1     -28   -4   20 o    3.726000      0.6100000       4.481000 0.7740000       2.971000      0.9430000       1.509000       1.220000
  1 1 1     -28   -4   21 o    3.729000      0.6367000       2.929000 0.9749000       4.528000      0.8192000      -1.598000       1.273000
  1 1 1     -28   -4   22 f    6.484000      0.4290000       7.160000 0.5563000       5.809000      0.6531000       1.351000      0.8579000
  1 1 1     -28   -4   23 o    3.387000      0.6387000       2.641000 0.9620000       4.134000      0.8405000      -1.492000       1.277000
  1 1 1     -28   -3    1 o    2.329000      0.5786000       2.499000 0.8259000       2.159000      0.8105000      0.3396000       1.157000
  1 1 1     -28   -3    2 o    9.073000      0.2722000       9.253000 0.3730000       8.893000      0.3965000      0.3602000      0.5444000
  1 1 1     -28   -3    3 o    2.442000      0.5632000       1.896000 0.7850000       2.988000      0.8078000      -1.093000       1.126000
  1 1 1     -28   -3    4 o    6.453000      0.3244000       6.625000 0.4580000       6.281000      0.4595000      0.3444000      0.6488000
  1 1 1     -28   -3    5 o    11.26000      0.2722000       11.45000 0.3840000       11.06000      0.3858000      0.3943000      0.5443000
  1 1 1     -28   -3    6 o    12.93000      0.2799000       12.71000 0.3935000       13.16000      0.3983000     -0.4448000      0.5599000
  1 1 1     -28   -3    7 o    5.305000      0.3851000       5.251000 0.4844000       5.359000      0.5987000     -0.1075000      0.7702000
  1 1 1     -28   -3    8 o    3.877000      0.9636000       3.877000 0.9636000                  ?              ?              ?              ?
  1 1 1     -28   -3    9 o    2.418000      0.5897000       3.124000 0.8953000       1.712000      0.7676000       1.412000       1.179000
  1 1 1     -28   -3   10 o    5.365000      0.6318000       4.437000 0.9337000       6.293000      0.8514000      -1.856000       1.264000
  1 1 1     -28   -3   11 o    2.647000      0.7788000       2.582000 1.084000       2.712000       1.119000     -0.1300000       1.558000
  1 1 1     -28   -3   12 f    2.871000      0.6017000       2.207000 0.8832000       3.534000      0.8173000      -1.326000       1.203000
  1 1 1     -28   -3   13 o    1.807000      0.5632000       1.746000 0.7923000       1.867000      0.8008000     -0.1217000       1.126000
  1 1 1     -28   -3   14 o    14.57000      0.3052000       14.42000 0.4352000       14.73000      0.4278000     -0.3165000      0.6103000
  1 1 1     -28   -3   15 o    2.310000      0.6470000       2.104000 0.8970000       2.515000      0.9326000     -0.4110000       1.294000
  1 1 1     -28   -3   16 o    8.532000      0.3378000       8.985000 0.4632000       8.079000      0.4918000      0.9061000      0.6756000
  1 1 1     -28   -3   17 f    3.894000      0.6224000       3.198000 0.9605000       4.591000      0.7918000      -1.393000       1.245000
  1 1 1     -28   -3   18 o    4.866000      0.5044000       5.082000 0.6902000       4.650000      0.7359000      0.4317000       1.009000
  1 1 1     -28   -3   19 o    4.031000      0.6038000       4.751000 0.7458000       3.312000      0.9497000       1.439000       1.208000
  1 1 1     -28   -3   20 f    2.457000      0.6665000       2.444000 0.9404000       2.470000      0.9446000     -0.2616000E-01   1.333000
  1 1 1     -28   -3   21 o    7.209000      0.3863000       7.067000 0.5576000       7.352000      0.5349000     -0.2850000      0.7727000
  1 1 1     -28   -3   22 o    3.807000      0.6068000       3.340000 0.9555000       4.274000      0.7482000     -0.9340000       1.214000
  1 1 1     -28   -2    1 o    6.920000      0.3015000       7.264000 0.4234000       6.576000      0.4294000      0.6875000      0.6031000
  1 1 1     -28   -2    2 o    6.546000      0.3148000       6.704000 0.4360000       6.387000      0.4541000      0.3179000      0.6296000
  1 1 1     -28   -2    3 o    7.327000      0.2903000       7.174000 0.4226000       7.479000      0.3982000     -0.3054000      0.5806000
  1 1 1     -28   -2    4 o    1.906000      0.5308000       2.462000 0.8431000       1.350000      0.6451000       1.112000       1.062000
  1 1 1     -28   -2    5 o    9.300000      0.2831000       9.159000 0.3909000       9.440000      0.4095000     -0.2808000      0.5662000
  1 1 1     -28   -2    6 o    13.19000      0.2811000       13.16000 0.3930000       13.23000      0.4019000     -0.7607000E-01  0.5621000
  1 1 1     -28   -2    7 o    6.003000      0.4862000       5.388000 0.7253000       6.618000      0.6478000      -1.230000      0.9725000
  1 1 1     -28   -2    8 f    9.551000      0.4210000       9.551000 0.4210000                  ?              ?              ?              ?
  1 1 1     -28   -2    9 o    5.195000      0.4387000       4.482000 0.7055000       5.908000      0.5217000      -1.426000      0.8774000
  1 1 1     -28   -2   10 o    7.989000      0.7212000                  ?       ?   7.989000      0.7212000                  ?              ?
  1 1 1     -28   -2   11 o    2.285000      0.6099000       1.897000 0.8172000       2.672000      0.9055000     -0.7755000       1.220000
  1 1 1     -28   -2   12 o    6.703000      0.3675000       6.726000 0.5358000       6.679000      0.5031000      0.4719000E-01  0.7350000
  1 1 1     -28   -2   13 o    6.506000      0.3698000       6.518000 0.5297000       6.495000      0.5163000      0.2283000E-01  0.7397000
  1 1 1     -28   -2   14 o    9.985000      0.3051000       9.980000 0.4320000       9.990000      0.4310000     -0.9552000E-02  0.6102000
  1 1 1     -28   -2   15 o    4.031000      0.5947000       4.590000 0.7671000       3.472000      0.9090000       1.118000       1.189000
  1 1 1     -28   -2   16 o    5.545000      0.4982000       6.641000 0.5589000       4.448000      0.8249000       2.193000      0.9964000
  1 1 1     -28   -2   17 o    3.577000      0.6522000       3.584000 0.9204000       3.569000      0.9243000      0.1581000E-01   1.304000
  1 1 1     -28   -2   18 o    4.894000      0.6648000       4.119000 1.158000       5.670000      0.6537000      -1.551000       1.330000
  1 1 1     -28   -2   19 o    3.984000      0.6018000       3.006000 0.9722000       4.963000      0.7096000      -1.957000       1.204000
  1 1 1     -28   -2   20 o    3.552000      0.6361000       2.567000 0.9745000       4.536000      0.8179000      -1.969000       1.272000
  1 1 1     -28   -2   21 o    3.332000      0.6821000       3.261000 0.9684000       3.403000      0.9608000     -0.1416000       1.364000
  1 1 1     -28   -2   22 o    2.942000      0.6520000       2.222000 0.9289000       3.663000      0.9152000      -1.441000       1.304000
  1 1 1     -28   -1    1 o    8.613000      0.2728000       8.723000 0.3844000       8.503000      0.3872000      0.2208000      0.5456000
  1 1 1     -28   -1    2 o    15.45000      0.2804000       15.53000 0.3960000       15.38000      0.3971000      0.1477000      0.5608000
  1 1 1     -28   -1    3 o    6.196000      0.3219000       5.854000 0.4651000       6.539000      0.4451000     -0.6844000      0.6438000
  1 1 1     -28   -1    4 o    5.837000      0.3538000       6.183000 0.4944000       5.491000      0.5063000      0.6927000      0.7076000
  1 1 1     -28   -1    5 o    2.531000      0.5975000       2.958000 0.8564000       2.104000      0.8334000      0.8538000       1.195000
  1 1 1     -28   -1    6 o    5.403000      0.5018000       6.099000 0.6313000       4.706000      0.7800000       1.393000       1.004000
  1 1 1     -28   -1    7 o    2.965000      0.7095000       2.972000 1.034000       2.958000      0.9719000      0.1399000E-01   1.419000
  1 1 1     -28   -1    8 o    6.397000      0.3592000       6.374000 0.5069000       6.419000      0.5091000     -0.4535000E-01  0.7184000
  1 1 1     -28   -1    9 o    3.536000      0.8127000       3.476000 1.140000       3.595000       1.159000     -0.1190000       1.625000
  1 1 1     -28   -1   10 o    6.261000      0.4192000       6.097000 0.6728000       6.425000      0.5004000     -0.3276000      0.8384000
  1 1 1     -28   -1   11 o    4.203000      0.5477000       4.044000 0.8075000       4.362000      0.7402000     -0.3179000       1.095000
  1 1 1     -28   -1   12 o    7.730000      0.3450000       7.500000 0.5076000       7.961000      0.4673000     -0.4612000      0.6899000
  1 1 1     -28   -1   13 o    4.562000      0.4887000       4.935000 0.6711000       4.190000      0.7106000      0.7450000      0.9774000
  1 1 1     -28   -1   14 o    7.408000      0.3668000       7.085000 0.5340000       7.731000      0.5029000     -0.6460000      0.7335000
  1 1 1     -28   -1   15 o    4.873000      0.5053000       5.302000 0.6410000       4.444000      0.7812000      0.8581000       1.011000
  1 1 1     -28   -1   16 o    2.954000      0.6653000       3.048000 0.9574000       2.861000      0.9240000      0.1867000       1.331000
  1 1 1     -28   -1   17 o    2.597000      0.5984000       3.264000 0.8605000       1.930000      0.8319000       1.333000       1.197000
  1 1 1     -28   -1   18 o    4.952000      0.4671000       4.882000 0.6778000       5.021000      0.6429000     -0.1390000      0.9342000
  1 1 1     -28   -1   19 o    6.145000      0.4152000       5.715000 0.6280000       6.575000      0.5433000     -0.8604000      0.8304000
  1 1 1     -28   -1   20 o    3.454000      0.6442000       4.036000 0.8602000       2.873000      0.9593000       1.163000       1.288000
  1 1 1     -28   -1   21 o    2.299000      0.6271000       1.744000 0.8034000       2.854000      0.9633000      -1.110000       1.254000
  1 1 1     -28    0    1 o    5.632000      0.4633000       5.609000 0.4986000       5.654000      0.7810000     -0.4502000E-01  0.9266000
  1 1 1     -28    0    2 o    7.777000      0.2870000       7.689000 0.4104000       7.866000      0.4014000     -0.1761000      0.5741000
  1 1 1     -28    0    3 o    8.498000      0.2872000       8.408000 0.4036000       8.589000      0.4086000     -0.1810000      0.5743000
  1 1 1     -28    0    4 o    5.690000      0.3541000       5.502000 0.5135000       5.878000      0.4877000     -0.3767000      0.7081000
  1 1 1     -28    0    5 o    4.134000      0.4538000       4.006000 0.6238000       4.262000      0.6593000     -0.2560000      0.9077000
  1 1 1     -28    0    6 o    2.823000      0.6964000       3.033000 1.013000       2.612000      0.9557000      0.4206000       1.393000
  1 1 1     -28    0    7 o    7.606000      0.3234000       7.809000 0.4422000       7.404000      0.4720000      0.4048000      0.6468000
  1 1 1     -28    0    8 o    5.092000      0.7025000       5.585000 0.8871000       4.599000       1.090000      0.9852000       1.405000
  1 1 1     -28    0    9 o    8.982000      0.4416000       8.590000 0.6492000       9.373000      0.5990000     -0.7834000      0.8833000
  1 1 1     -28    0   10 o    4.385000      0.4782000       4.588000 0.6653000       4.181000      0.6870000      0.4065000      0.9564000
  1 1 1     -28    0   11 o    10.94000      0.2927000       10.80000 0.4119000       11.07000      0.4160000     -0.2706000      0.5854000
  1 1 1     -28    0   12 o    13.56000      0.2930000       13.57000 0.4211000       13.54000      0.4077000      0.2766000E-01  0.5861000
  1 1 1     -28    0   13 o    8.140000      0.3286000       8.051000 0.4654000       8.229000      0.4641000     -0.1779000      0.6573000
  1 1 1     -28    0   14 o    8.723000      0.3334000       8.490000 0.4798000       8.956000      0.4632000     -0.4661000      0.6669000
  1 1 1     -28    0   15 o    4.716000      0.4855000       4.749000 0.6682000       4.684000      0.7046000      0.6531000E-01  0.9710000
  1 1 1     -28    0   16 o    1.928000      0.5872000       1.980000 0.8428000       1.877000      0.8180000      0.1030000       1.174000
  1 1 1     -28    0   17 f    2.886000      0.6594000       2.799000 0.9274000       2.973000      0.9376000     -0.1732000       1.319000
  1 1 1     -28    0   18 o    2.205000      0.6200000       2.579000 0.9329000       1.830000      0.8168000      0.7490000       1.240000
  1 1 1     -28    0   19 o    3.689000      0.6542000       3.737000 0.9313000       3.642000      0.9189000      0.9519000E-01   1.308000
  1 1 1     -28    0   20 o    1.775000      0.5619000       1.609000 0.7596000       1.941000      0.8282000     -0.3324000       1.124000
  1 1 1     -28    1    1 o    3.593000      0.5464000       4.791000 0.5715000       2.396000      0.9316000       2.394000       1.093000
  1 1 1     -28    1    2 f    4.932000      0.4796000       5.225000 0.5606000       4.639000      0.7782000      0.5860000      0.9591000
  1 1 1     -28    1    3 o    7.389000      0.3425000       6.912000 0.4500000       7.865000      0.5166000     -0.9530000      0.6851000
  1 1 1     -28    1    4 o    10.22000      0.3027000       9.818000 0.3987000       10.63000      0.4556000     -0.8075000      0.6054000
  1 1 1     -28    1    5 o    7.604000      0.5036000       7.375000 0.6294000       7.832000      0.7863000     -0.4569000       1.007000
  1 1 1     -28    1    6 o    13.65000      0.3587000       13.57000 0.4002000       13.72000      0.5954000     -0.1501000      0.7174000
  1 1 1     -28    1    7 o    8.351000      0.3200000       8.220000 0.4486000       8.482000      0.4564000     -0.2623000      0.6400000
  1 1 1     -28    1    8 o    3.023000      0.7441000       3.387000 1.102000       2.658000       1.000000      0.7291000       1.488000
  1 1 1     -28    1    9 o    6.240000      0.3619000       6.069000 0.5648000       6.411000      0.4526000     -0.3422000      0.7238000
  1 1 1     -28    1   10 o    3.027000      0.5884000       3.396000 0.8226000       2.657000      0.8415000      0.7391000       1.177000
  1 1 1     -28    1   11 o    11.45000      0.3630000       10.84000 0.5991000       12.06000      0.4102000      -1.223000      0.7261000
  1 1 1     -28    1   12 o    7.528000      0.3219000       7.671000 0.4752000       7.385000      0.4343000      0.2862000      0.6437000
  1 1 1     -28    1   13 o    3.587000      0.6198000       3.899000 0.8524000       3.276000      0.8999000      0.6232000       1.240000
  1 1 1     -28    1   14 o    2.952000      0.6131000       3.216000 0.8472000       2.689000      0.8865000      0.5263000       1.226000
  1 1 1     -28    1   15 o    5.420000      0.4135000       5.249000 0.5902000       5.592000      0.5794000     -0.3422000      0.8271000
  1 1 1     -28    1   16 o    5.199000      0.4412000       5.531000 0.5940000       4.868000      0.6524000      0.6627000      0.8823000
  1 1 1     -28    1   17 f    2.770000      0.6587000       2.995000 0.9329000       2.545000      0.9302000      0.4498000       1.317000
  1 1 1     -28    1   18 o    2.175000      0.6072000       1.823000 0.8044000       2.527000      0.9100000     -0.7042000       1.214000
  1 1 1     -28    1   19 o    1.847000      0.5680000       2.100000 0.8623000       1.593000      0.7396000      0.5067000       1.136000
  1 1 1     -28    1   20 o    2.572000      0.6353000       3.314000 0.9742000       1.831000      0.8156000       1.483000       1.271000
  1 1 1     -28    2    1 f    2.035000      0.5676000       2.318000 0.8083000       1.752000      0.7970000      0.5662000       1.135000
  1 1 1     -28    2    2 o    2.838000      0.6122000       3.367000 0.7948000       2.309000      0.9314000       1.058000       1.224000
  1 1 1     -28    2    3 o    7.659000      0.3345000       7.541000 0.4256000       7.777000      0.5162000     -0.2358000      0.6690000
  1 1 1     -28    2    4 o    8.038000      0.4911000       7.611000 0.6072000       8.465000      0.7722000     -0.8548000      0.9823000
  1 1 1     -28    2    5 o    3.990000      0.5713000       3.835000 0.7654000       4.145000      0.8484000     -0.3093000       1.143000
  1 1 1     -28    2    6 o    10.74000      0.3037000       10.35000 0.3976000       11.13000      0.4592000     -0.7794000      0.6074000
  1 1 1     -28    2    7 o    2.802000      0.7189000       3.166000 1.035000       2.439000      0.9985000      0.7272000       1.438000
  1 1 1     -28    2    8 o    2.414000      0.6497000       1.932000 0.8294000       2.897000       1.000000     -0.9649000       1.299000
  1 1 1     -28    2    9 o    5.050000      0.6352000       5.050000 0.6352000                  ?              ?              ?              ?
  1 1 1     -28    2   10 o    4.888000      0.5241000       5.057000 0.6210000       4.718000      0.8445000      0.3390000       1.048000
  1 1 1     -28    2   11 o    2.454000      0.9547000                  ?       ?   2.454000      0.9547000                  ?              ?
  1 1 1     -28    2   12 o    9.541000      0.3345000       9.765000 0.4385000       9.317000      0.5053000      0.4479000      0.6691000
  1 1 1     -28    2   13 o    6.803000      0.4665000       6.905000 0.5104000       6.701000      0.7810000      0.2045000      0.9330000
  1 1 1     -28    2   14 o    2.673000      0.6750000       3.062000 0.8795000       2.284000       1.024000      0.7778000       1.350000
  1 1 1     -28    2   15 o    5.581000      0.4272000       5.758000 0.5909000       5.404000      0.6171000      0.3545000      0.8543000
  1 1 1     -28    2   16 o    2.878000      0.6124000       2.596000 0.8622000       3.160000      0.8700000     -0.5632000       1.225000
  1 1 1     -28    2   17 o    1.935000      0.5890000       2.226000 0.8974000       1.644000      0.7632000      0.5815000       1.178000
  1 1 1     -28    2   18 o    2.480000      0.6340000       2.979000 0.9409000       1.980000      0.8500000      0.9986000       1.268000
  1 1 1     -28    2   19 o    3.277000      0.6369000       3.069000 0.9018000       3.485000      0.8995000     -0.4165000       1.274000
  1 1 1     -28    3    1 o    2.661000      0.6148000       3.064000 0.8406000       2.258000      0.8973000      0.8061000       1.230000
  1 1 1     -28    3    2 o    1.957000      0.5763000       2.172000 0.8332000       1.741000      0.7964000      0.4314000       1.153000
  1 1 1     -28    3    3 o    3.750000      0.7868000       3.422000 0.9993000       4.078000       1.216000     -0.6568000       1.574000
  1 1 1     -28    3    4 o    2.815000      0.6294000       2.780000 0.8196000       2.850000      0.9554000     -0.6964000E-01   1.259000
  1 1 1     -28    3    5 f    2.991000      0.6419000       3.319000 0.8483000       2.663000      0.9636000      0.6566000       1.284000
  1 1 1     -28    3    6 o    5.300000      0.5797000       5.741000 0.7201000       4.859000      0.9086000      0.8822000       1.159000
  1 1 1     -28    3    7 f    4.523000      0.5400000       4.608000 0.6564000       4.438000      0.8578000      0.1703000       1.080000
  1 1 1     -28    3    8 o    2.280000      0.6045000       1.563000 0.7140000       2.997000      0.9757000      -1.434000       1.209000
  1 1 1     -28    3    9 o    7.358000      0.4452000       6.994000 0.4951000       7.723000      0.7400000     -0.7293000      0.8904000
  1 1 1     -28    3   10 o    2.617000      0.6583000       2.361000 0.8824000       2.873000      0.9772000     -0.5122000       1.317000
  1 1 1     -28    3   11 o    2.652000      0.6794000       2.330000 0.9579000       2.973000      0.9636000     -0.6429000       1.359000
  1 1 1     -28    3   12 o    4.657000      0.5505000       5.008000 0.6830000       4.307000      0.8635000      0.7007000       1.101000
  1 1 1     -28    3   13 o    2.623000      0.6258000       2.026000 0.8233000       3.221000      0.9428000      -1.195000       1.252000
  1 1 1     -28    3   14 o    5.805000      0.4066000       5.713000 0.5510000       5.896000      0.5981000     -0.1830000      0.8133000
  1 1 1     -28    3   15 o    3.221000      0.6396000       2.941000 0.8813000       3.500000      0.9273000     -0.5584000       1.279000
  1 1 1     -28    3   16 o    4.341000      0.5168000       4.695000 0.6418000       3.987000      0.8103000      0.7080000       1.034000
  1 1 1     -28    3   17 o    3.169000      0.6179000       4.124000 0.8380000       2.213000      0.9083000       1.911000       1.236000
  1 1 1     -28    3   18 f    2.161000      0.6227000       2.170000 0.8728000       2.152000      0.8884000      0.1856000E-01   1.245000
  1 1 1     -28    4    1 o    1.859000      0.5706000       1.880000 0.7790000       1.837000      0.8339000      0.4279000E-01   1.141000
  1 1 1     -28    4    2 o    3.888000      0.7584000       3.948000 0.9580000       3.828000       1.176000      0.1191000       1.517000
  1 1 1     -28    4    3 o    2.831000      0.6215000       2.263000 0.8173000       3.399000      0.9366000      -1.137000       1.243000
  1 1 1     -28    4    4 o    2.328000      0.6234000       2.478000 0.8652000       2.178000      0.8977000      0.2995000       1.247000
  1 1 1     -28    4    5 o    4.536000      0.6647000       4.747000 0.8782000       4.325000      0.9980000      0.4223000       1.329000
  1 1 1     -28    4    6 f    3.399000      0.6230000       3.890000 0.7617000       2.908000      0.9860000      0.9814000       1.246000
  1 1 1     -28    4    7 f    5.273000      0.4561000       5.542000 0.5455000       5.004000      0.7312000      0.5379000      0.9123000
  1 1 1     -28    4    8 o    2.275000      0.6155000       2.239000 0.8153000       2.311000      0.9224000     -0.7168000E-01   1.231000
  1 1 1     -28    4    9 o    2.014000      0.6079000       1.651000 0.7554000       2.376000      0.9527000     -0.7245000       1.216000
  1 1 1     -28    4   10 o    1.718000      0.5554000       1.528000 0.7160000       1.908000      0.8494000     -0.3809000       1.111000
  1 1 1     -28    4   11 o    3.053000      0.6271000       3.157000 0.8196000       2.950000      0.9492000      0.2071000       1.254000
  1 1 1     -28    4   12 o    2.890000      0.6243000       3.378000 0.8187000       2.403000      0.9428000      0.9757000       1.249000
  1 1 1     -28    4   13 o    2.445000      0.6295000       1.997000 0.8492000       2.892000      0.9294000     -0.8953000       1.259000
  1 1 1     -28    4   14 o    3.905000      0.5486000       3.077000 0.8572000       4.733000      0.6847000      -1.656000       1.097000
  1 1 1     -28    4   15 o    7.486000      0.3612000       8.346000 0.4676000       6.627000      0.5507000       1.719000      0.7224000
  1 1 1     -28    4   16 o    2.052000      0.5993000       1.824000 0.7935000       2.280000      0.8984000     -0.4564000       1.199000
  1 1 1     -28    4   17 o    3.697000      0.5898000       3.472000 0.8575000       3.923000      0.8101000     -0.4511000       1.180000
  1 1 1     -28    5    1 o    5.496000      0.5937000       5.872000 0.6510000       5.120000      0.9931000      0.7530000       1.187000
  1 1 1     -28    5    2 o    3.691000      0.5637000       3.708000 0.6817000       3.674000      0.8979000      0.3345000E-01   1.127000
  1 1 1     -28    5    3 o    3.296000      0.6149000       2.395000 0.8677000       4.198000      0.8716000      -1.803000       1.230000
  1 1 1     -28    5    4 o    2.680000      0.7114000       2.942000 0.9781000       2.418000       1.033000      0.5245000       1.423000
  1 1 1     -28    5    5 o    4.118000      0.5612000       4.671000 0.5772000       3.565000      0.9627000       1.106000       1.122000
  1 1 1     -28    5    6 o    3.226000      0.6595000       3.284000 0.8559000       3.168000       1.004000      0.1157000       1.319000
  1 1 1     -28    5    7 o    2.672000      0.5697000       1.614000 0.7312000       3.729000      0.8739000      -2.114000       1.139000
  1 1 1     -28    5    8 o    2.748000      0.6381000       2.678000 0.8465000       2.818000      0.9551000     -0.1402000       1.276000
  1 1 1     -28    5    9 o    3.113000      0.6397000       3.688000 0.8375000       2.538000      0.9673000       1.150000       1.279000
  1 1 1     -28    5   10 o    2.635000      0.6352000       2.515000 0.8575000       2.755000      0.9373000     -0.2402000       1.270000
  1 1 1     -28    5   11 o    4.247000      0.5147000       3.902000 0.7404000       4.591000      0.7150000     -0.6885000       1.029000
  1 1 1     -28    5   12 o    2.906000      0.7221000       2.679000 1.095000       3.134000      0.9420000     -0.4552000       1.444000
  1 1 1     -28    5   13 o    1.848000      0.5686000       1.613000 0.7473000       2.083000      0.8572000     -0.4706000       1.137000
  1 1 1     -28    5   14 f    2.546000      0.6326000       2.899000 0.9012000       2.193000      0.8881000      0.7058000       1.265000
  1 1 1     -28    5   15 o    3.007000      0.6275000       3.721000 0.8693000       2.293000      0.9051000       1.428000       1.255000
  1 1 1     -28    6    1 o    8.364000      0.3116000       8.674000 0.3793000       8.055000      0.4944000      0.6197000      0.6232000
  1 1 1     -28    6    2 o    3.562000      0.5802000       3.526000 0.6929000       3.598000      0.9308000     -0.7250000E-01   1.160000
  1 1 1     -28    6    3 o    6.716000      0.5035000       5.682000 0.7543000       7.750000      0.6671000      -2.068000       1.007000
  1 1 1     -28    6    4 o    8.914000      0.3079000       9.064000 0.3836000       8.763000      0.4818000      0.3011000      0.6158000
  1 1 1     -28    6    5 o    8.304000      0.3233000       8.655000 0.3859000       7.952000      0.5188000      0.7033000      0.6466000
  1 1 1     -28    6    6 o    4.625000      0.5300000       5.156000 0.5527000       4.094000      0.9046000       1.062000       1.060000
  1 1 1     -28    6    7 o    2.894000      0.6129000       2.352000 0.8428000       3.436000      0.8901000      -1.084000       1.226000
  1 1 1     -28    6    8 o    2.039000      0.5743000       1.341000 0.6429000       2.738000      0.9519000      -1.397000       1.149000
  1 1 1     -28    6    9 o    2.720000      0.6502000       2.360000 0.8760000       3.080000      0.9612000     -0.7194000       1.300000
  1 1 1     -28    6   10 o    3.289000      0.8757000       3.289000 0.8757000                  ?              ?              ?              ?
  1 1 1     -28    6   11 o    2.027000      0.6046000       2.169000 0.8727000       1.885000      0.8369000      0.2835000       1.209000
  1 1 1     -28    6   12 o    3.244000      0.9106000                  ?       ?   3.244000      0.9106000                  ?              ?
  1 1 1     -28    6   13 o    2.705000      0.6347000       2.225000 0.8856000       3.185000      0.9095000     -0.9598000       1.269000
  1 1 1     -28    6   14 o    4.416000      0.5370000       5.354000 0.6367000       3.478000      0.8649000       1.876000       1.074000
  1 1 1     -28    7    1 o    7.418000      0.4691000       8.164000 0.5696000       6.672000      0.7456000       1.492000      0.9383000
  1 1 1     -28    7    2 o    2.951000      0.7408000       2.443000 0.9575000       3.460000       1.131000      -1.017000       1.482000
  1 1 1     -28    7    3 o    4.823000      0.4599000       4.831000 0.5799000       4.814000      0.7141000      0.1718000E-01  0.9199000
  1 1 1     -28    7    4 o    9.187000      0.3036000       9.344000 0.3818000       9.030000      0.4722000      0.3138000      0.6073000
  1 1 1     -28    7    5 o    5.387000      0.4413000       5.727000 0.4814000       5.048000      0.7396000      0.6792000      0.8825000
  1 1 1     -28    7    6 o    7.336000      0.3518000       7.164000 0.4486000       7.507000      0.5420000     -0.3424000      0.7035000
  1 1 1     -28    7    7 o    2.870000      0.6471000       3.030000 0.8836000       2.710000      0.9455000      0.3200000       1.294000
  1 1 1     -28    7    8 o    3.480000      0.6041000       3.064000 0.8523000       3.897000      0.8564000     -0.8328000       1.208000
  1 1 1     -28    7    9 o    2.632000      0.6451000       2.773000 0.8873000       2.491000      0.9367000      0.2828000       1.290000
  1 1 1     -28    7   10 o    2.114000      0.5971000       1.816000 0.8086000       2.412000      0.8788000     -0.5958000       1.194000
  1 1 1     -28    7   11 o    3.377000      0.6286000       3.207000 0.8699000       3.547000      0.9076000     -0.3401000       1.257000
  1 1 1     -28    7   12 o    4.001000      0.6516000       4.997000 0.9211000       3.004000      0.9220000       1.993000       1.303000
  1 1 1     -28    8    1 o    2.448000      0.5892000       2.834000 0.8120000       2.062000      0.8539000      0.7722000       1.178000
  1 1 1     -28    8    2 o    2.105000      0.6010000       1.675000 0.7371000       2.535000      0.9494000     -0.8597000       1.202000
  1 1 1     -28    8    3 o    3.726000      0.5872000       3.559000 0.7942000       3.893000      0.8651000     -0.3332000       1.174000
  1 1 1     -28    8    4 o    4.385000      0.5059000       4.436000 0.6304000       4.334000      0.7914000      0.1023000       1.012000
  1 1 1     -28    8    5 o    2.874000      0.6347000       2.533000 0.8309000       3.214000      0.9597000     -0.6811000       1.269000
  1 1 1     -28    8    6 o    6.115000      0.3820000       6.255000 0.4668000       5.976000      0.6049000      0.2793000      0.7640000
  1 1 1     -28    8    7 o    2.974000      0.6298000       2.485000 0.8679000       3.463000      0.9129000     -0.9778000       1.260000
  1 1 1     -28    8    8 o    1.981000      0.5873000       1.621000 0.7356000       2.341000      0.9157000     -0.7203000       1.175000
  1 1 1     -28    8    9 o    2.197000      0.6131000       2.237000 0.8700000       2.156000      0.8642000      0.8123000E-01   1.226000
  1 1 1     -28    8   10 o    2.257000      0.6322000       2.217000 0.8703000       2.298000      0.9171000     -0.8140000E-01   1.264000
  1 1 1     -28    9    1 o    2.187000      0.6047000       1.821000 0.7827000       2.553000      0.9219000     -0.7311000       1.209000
  1 1 1     -28    9    2 o    2.461000      0.5979000       1.794000 0.7678000       3.128000      0.9168000      -1.334000       1.196000
  1 1 1     -28    9    3 o    3.630000      0.5806000       3.676000 0.7329000       3.584000      0.9007000      0.9223000E-01   1.161000
  1 1 1     -28    9    4 o    3.288000      0.6247000       3.263000 0.8442000       3.313000      0.9210000     -0.4937000E-01   1.249000
  1 1 1     -28    9    5 o    4.638000      0.5005000       4.687000 0.6600000       4.588000      0.7526000      0.9899000E-01   1.001000
  1 1 1     -28    9    6 o    2.640000      0.6466000       2.576000 0.8787000       2.703000      0.9488000     -0.1273000       1.293000
  1 1 1     -28    9    7 o    2.798000      0.7351000       3.199000 1.060000       2.397000       1.019000      0.8022000       1.470000
  1 1 1     -27  -34    1 f    3.291000      0.7298000       2.750000 1.016000       3.832000       1.048000      -1.082000       1.460000
  1 1 1     -27  -34    2 o    2.784000       1.075000                  ?       ?   2.784000       1.075000                  ?              ?
  1 1 1     -27  -34    3 o    3.798000      0.8078000       3.437000 1.265000       4.159000       1.005000     -0.7223000       1.616000
  1 1 1     -27  -34    4 o    2.586000      0.7253000       2.257000 0.9608000       2.915000       1.087000     -0.6574000       1.451000
  1 1 1     -27  -34    5 o    2.545000      0.7125000       2.108000 0.9358000       2.982000       1.075000     -0.8739000       1.425000
  1 1 1     -27  -34    6 o    2.342000      0.6998000       2.169000 0.9262000       2.515000       1.049000     -0.3461000       1.400000
  1 1 1     -27  -34    7 o    3.502000      0.8726000       4.538000 1.357000       2.467000       1.098000       2.071000       1.745000
  1 1 1     -27  -33    1 o    2.754000      0.7137000       3.092000 1.001000       2.417000       1.017000      0.6748000       1.427000
  1 1 1     -27  -33    2 o    2.864000      0.7363000       2.700000 0.9760000       3.028000       1.103000     -0.3282000       1.473000
  1 1 1     -27  -33    3 o    2.635000      0.7057000       3.002000 1.027000       2.268000      0.9686000      0.7332000       1.411000
  1 1 1     -27  -33    4 o    2.821000      0.7345000       2.852000 1.032000       2.789000       1.045000      0.6315000E-01   1.469000
  1 1 1     -27  -33    5 o    2.577000      0.7209000       2.296000 0.9498000       2.857000       1.085000     -0.5615000       1.442000
  1 1 1     -27  -33    6 o    2.235000      0.6680000       2.264000 0.9201000       2.207000      0.9687000      0.5744000E-01   1.336000
  1 1 1     -27  -33    7 o    2.142000      0.6677000       2.021000 0.9036000       2.262000      0.9833000     -0.2404000       1.335000
  1 1 1     -27  -33    8 o    2.839000      0.6993000       2.146000 0.9186000       3.532000       1.055000      -1.387000       1.399000
  1 1 1     -27  -33    9 o    2.697000      0.7370000       2.706000 1.018000       2.688000       1.066000      0.1805000E-01   1.474000
  1 1 1     -27  -33   10 o    3.757000      0.8906000       3.651000 1.256000       3.864000       1.263000     -0.2126000       1.781000
  1 1 1     -27  -32    1 o    2.713000      0.6488000       3.409000 0.9218000       2.018000      0.9132000       1.391000       1.298000
  1 1 1     -27  -32    2 o    2.382000      0.6671000       2.780000 0.9806000       1.984000      0.9048000      0.7962000       1.334000
  1 1 1     -27  -32    3 o    2.715000      0.6941000       2.224000 0.9168000       3.205000       1.042000     -0.9811000       1.388000
  1 1 1     -27  -32    4 o    2.514000      0.6886000       2.763000 0.9882000       2.264000      0.9593000      0.4986000       1.377000
  1 1 1     -27  -32    5 o    2.525000      0.7050000       2.405000 0.9332000       2.644000       1.057000     -0.2395000       1.410000
  1 1 1     -27  -32    6 o    2.378000      0.6781000       2.280000 0.9292000       2.475000      0.9879000     -0.1950000       1.356000
  1 1 1     -27  -32    7 o    2.531000      0.7088000       2.392000 0.9542000       2.669000       1.048000     -0.2766000       1.418000
  1 1 1     -27  -32    8 o    3.113000      0.7272000       3.138000 0.9993000       3.089000       1.057000      0.4849000E-01   1.454000
  1 1 1     -27  -32    9 o    2.447000      0.6970000       2.029000 0.8945000       2.864000       1.069000     -0.8346000       1.394000
  1 1 1     -27  -32   10 o    2.637000      0.7048000       3.117000 1.038000       2.157000      0.9533000      0.9605000       1.410000
  1 1 1     -27  -32   11 f    2.262000      0.6613000       2.578000 0.9724000       1.946000      0.8966000      0.6320000       1.323000
  1 1 1     -27  -32   12 o    2.103000      0.6636000       2.124000 0.9276000       2.082000      0.9492000      0.4216000E-01   1.327000
  1 1 1     -27  -31    1 o    3.325000      0.7158000       3.013000 0.9272000       3.637000       1.091000     -0.6239000       1.432000
  1 1 1     -27  -31    2 o    5.617000      0.4723000       5.670000 0.6069000       5.563000      0.7238000      0.1067000      0.9445000
  1 1 1     -27  -31    3 o    3.208000      0.6554000       3.396000 0.8027000       3.019000       1.036000      0.3772000       1.311000
  1 1 1     -27  -31    4 o    6.194000      0.4662000       6.037000 0.6373000       6.351000      0.6807000     -0.3145000      0.9325000
  1 1 1     -27  -31    5 o    3.358000      0.6839000       2.770000 0.9529000       3.947000      0.9814000      -1.176000       1.368000
  1 1 1     -27  -31    6 o    2.807000      0.7188000       2.885000 0.9890000       2.730000       1.043000      0.1551000       1.438000
  1 1 1     -27  -31    7 o    3.010000      0.7094000       3.466000 0.9892000       2.553000       1.017000      0.9131000       1.419000
  1 1 1     -27  -31    8 o    3.432000      0.6900000       4.059000 0.8860000       2.805000       1.058000       1.255000       1.380000
  1 1 1     -27  -31    9 o    2.578000      0.7161000       2.102000 0.9189000       3.054000       1.099000     -0.9519000       1.432000
  1 1 1     -27  -31   10 o    2.922000      0.7338000       2.907000 1.004000       2.937000       1.070000     -0.2949000E-01   1.468000
  1 1 1     -27  -31   11 o    2.599000      0.7040000       2.961000 1.006000       2.237000      0.9850000      0.7243000       1.408000
  1 1 1     -27  -31   12 o    2.969000      0.7406000       2.595000 1.002000       3.343000       1.091000     -0.7478000       1.481000
  1 1 1     -27  -31   13 o    3.438000      0.6972000       2.668000 1.012000       4.209000      0.9598000      -1.541000       1.394000
  1 1 1     -27  -31   14 o    2.662000      0.7132000       2.330000 0.9528000       2.993000       1.061000     -0.6629000       1.426000
  1 1 1     -27  -30    1 o    4.769000      0.6474000       4.769000 0.6474000                  ?              ?              ?              ?
  1 1 1     -27  -30    2 o    2.369000      0.6625000       1.923000 0.8206000       2.815000       1.040000     -0.8915000       1.325000
  1 1 1     -27  -30    3 o    6.694000      0.6214000                  ?       ?   6.694000      0.6214000                  ?              ?
  1 1 1     -27  -30    4 o    4.728000      0.5695000       4.667000 0.7765000       4.789000      0.8332000     -0.1217000       1.139000
  1 1 1     -27  -30    5 o    3.379000      0.6948000       3.959000 0.9039000       2.800000       1.056000       1.159000       1.390000
  1 1 1     -27  -30    6 o    5.009000      0.5210000       4.917000 0.6896000       5.102000      0.7812000     -0.1847000       1.042000
  1 1 1     -27  -30    7 o    4.492000      0.6368000       4.281000 0.8452000       4.702000      0.9527000     -0.4206000       1.274000
  1 1 1     -27  -30    8 o    2.980000      0.7206000       2.782000 0.9954000       3.178000       1.042000     -0.3958000       1.441000
  1 1 1     -27  -30    9 o    2.160000      0.6618000       1.830000 0.8277000       2.491000       1.033000     -0.6605000       1.324000
  1 1 1     -27  -30   10 o    3.371000      0.7178000       3.762000 0.9495000       2.979000       1.077000      0.7829000       1.436000
  1 1 1     -27  -30   11 o    2.933000      0.6842000       3.686000 0.9705000       2.180000      0.9647000       1.506000       1.368000
  1 1 1     -27  -30   12 o    3.787000      0.7115000       2.867000 1.057000       4.707000      0.9522000      -1.841000       1.423000
  1 1 1     -27  -30   13 o    3.592000      0.7044000       3.901000 0.9301000       3.284000       1.058000      0.6178000       1.409000
  1 1 1     -27  -30   14 o    2.588000      0.7127000       2.897000 1.030000       2.278000      0.9851000      0.6196000       1.425000
  1 1 1     -27  -30   15 o    2.858000      0.7314000       2.822000 0.9821000       2.894000       1.084000     -0.7243000E-01   1.463000
  1 1 1     -27  -30   16 o    3.373000       1.230000       3.373000 1.230000                  ?              ?              ?              ?
  1 1 1     -27  -29    1 o    3.677000      0.6732000       3.793000 0.8081000       3.561000       1.077000      0.2325000       1.346000
  1 1 1     -27  -29    2 o    3.564000      0.6474000       3.963000 0.7748000       3.165000       1.037000      0.7979000       1.295000
  1 1 1     -27  -29    3 o    5.125000      0.7838000                  ?       ?   5.125000      0.7838000                  ?              ?
  1 1 1     -27  -29    4 o    4.427000      0.6083000       5.056000 0.7164000       3.798000      0.9833000       1.258000       1.217000
  1 1 1     -27  -29    5 o    6.025000      0.4542000       6.131000 0.6048000       5.920000      0.6778000      0.2111000      0.9084000
  1 1 1     -27  -29    6 o    4.263000      0.6108000       5.544000 0.6257000       2.981000       1.049000       2.563000       1.222000
  1 1 1     -27  -29    7 o    3.514000      0.7208000       3.501000 0.9890000       3.527000       1.049000     -0.2586000E-01   1.442000
  1 1 1     -27  -29    8 o    2.597000      0.7083000       2.202000 0.9247000       2.992000       1.073000     -0.7899000       1.417000
  1 1 1     -27  -29    9 o    3.621000      0.7192000       3.069000 1.034000       4.173000      0.9997000      -1.105000       1.438000
  1 1 1     -27  -29   10 o    2.528000      0.6908000       2.642000 0.9488000       2.414000       1.004000      0.2275000       1.382000
  1 1 1     -27  -29   11 o    3.622000      0.7372000       3.532000 0.9936000       3.712000       1.089000     -0.1800000       1.474000
  1 1 1     -27  -29   12 o    2.782000      0.7187000       2.942000 1.007000       2.623000       1.026000      0.3190000       1.437000
  1 1 1     -27  -29   13 o    3.474000      0.7245000       3.840000 0.9460000       3.108000       1.098000      0.7319000       1.449000
  1 1 1     -27  -29   14 o    2.319000      0.6784000       1.927000 0.8590000       2.711000       1.050000     -0.7836000       1.357000
  1 1 1     -27  -29   15 o    3.275000      0.7587000       2.790000 1.037000       3.760000       1.108000     -0.9704000       1.517000
  1 1 1     -27  -29   16 o    3.050000      0.7417000       2.831000 1.010000       3.270000       1.086000     -0.4390000       1.483000
  1 1 1     -27  -29   17 o    2.851000      0.7442000       2.998000 1.042000       2.705000       1.063000      0.2931000       1.488000
  1 1 1     -27  -28    1 o    3.573000      0.7920000       3.718000 0.9407000       3.429000       1.274000      0.2890000       1.584000
  1 1 1     -27  -28    2 f    3.533000      0.6441000       3.819000 0.8137000       3.247000      0.9986000      0.5727000       1.288000
  1 1 1     -27  -28    3 o    3.950000      0.6288000       3.377000 0.8820000       4.522000      0.8966000      -1.145000       1.258000
  1 1 1     -27  -28    4 o    5.076000      0.5296000       5.230000 0.6384000       4.923000      0.8452000      0.3068000       1.059000
  1 1 1     -27  -28    5 o    2.961000      0.6872000       3.325000 0.9431000       2.596000      0.9998000      0.7288000       1.374000
  1 1 1     -27  -28    6 o    2.397000      0.6848000       2.486000 0.9590000       2.308000      0.9777000      0.1781000       1.370000
  1 1 1     -27  -28    7 o    4.089000      0.6314000       4.199000 0.8451000       3.979000      0.9382000      0.2196000       1.263000
  1 1 1     -27  -28    8 o    2.949000      0.7352000       3.183000 1.023000       2.715000       1.056000      0.4672000       1.470000
  1 1 1     -27  -28    9 o    3.340000      0.6950000       3.894000 0.9363000       2.787000       1.027000       1.107000       1.390000
  1 1 1     -27  -28   10 o    2.764000      0.7175000       2.178000 0.9275000       3.351000       1.095000      -1.174000       1.435000
  1 1 1     -27  -28   11 o    2.679000      0.7292000       2.412000 0.9756000       2.946000       1.084000     -0.5342000       1.458000
  1 1 1     -27  -28   12 o    3.212000      0.7382000       3.314000 0.9781000       3.110000       1.106000      0.2033000       1.476000
  1 1 1     -27  -28   13 o    3.358000      0.7493000       3.346000 0.9918000       3.371000       1.123000     -0.2503000E-01   1.499000
  1 1 1     -27  -28   14 o    2.162000      0.6684000       2.148000 0.9302000       2.176000      0.9600000     -0.2753000E-01   1.337000
  1 1 1     -27  -28   15 o    2.777000      0.7314000       2.899000 1.046000       2.655000       1.023000      0.2440000       1.463000
  1 1 1     -27  -28   16 o    2.120000      0.6659000       2.048000 0.9145000       2.191000      0.9682000     -0.1427000       1.332000
  1 1 1     -27  -28   17 o    2.677000      0.6953000       2.073000 0.9126000       3.281000       1.049000      -1.208000       1.391000
  1 1 1     -27  -28   18 o    2.086000      0.6516000       2.451000 1.008000       1.721000      0.8255000      0.7304000       1.303000
  1 1 1     -27  -27    1 o    1.760000      0.5592000       1.883000 0.8073000       1.637000      0.7741000      0.2466000       1.118000
  1 1 1     -27  -27    2 o    3.952000      0.7481000       3.702000 0.9470000       4.203000       1.158000     -0.5008000       1.496000
  1 1 1     -27  -27    3 o    2.438000      0.6892000       2.824000 0.9865000       2.052000      0.9627000      0.7723000       1.378000
  1 1 1     -27  -27    4 o    4.211000      0.6413000       4.546000 0.7886000       3.877000       1.012000      0.6685000       1.283000
  1 1 1     -27  -27    5 o    2.359000      0.6152000       2.933000 0.9046000       1.786000      0.8342000       1.148000       1.230000
  1 1 1     -27  -27    6 o    3.317000      0.6653000       3.814000 0.8676000       2.819000       1.009000      0.9950000       1.331000
  1 1 1     -27  -27    7 o    3.166000      0.5801000       1.699000 0.7905000       4.633000      0.8492000      -2.935000       1.160000
  1 1 1     -27  -27    8 o    2.847000      0.7036000       2.533000 0.9569000       3.162000       1.032000     -0.6291000       1.407000
  1 1 1     -27  -27    9 o    2.661000      0.6975000       2.220000 0.9434000       3.102000       1.028000     -0.8821000       1.395000
  1 1 1     -27  -27   10 o    2.887000      0.6730000       3.639000 0.9644000       2.134000      0.9390000       1.505000       1.346000
  1 1 1     -27  -27   11 o    3.374000      0.7254000       3.479000 0.9634000       3.269000       1.085000      0.2093000       1.451000
  1 1 1     -27  -27   12 o    5.865000      0.5428000       6.193000 0.6482000       5.536000      0.8709000      0.6570000       1.086000
  1 1 1     -27  -27   13 o    2.794000      0.7182000       2.383000 0.9598000       3.205000       1.069000     -0.8221000       1.436000
  1 1 1     -27  -27   14 o    2.772000      0.7214000       3.084000 1.035000       2.461000       1.005000      0.6238000       1.443000
  1 1 1     -27  -27   15 o    2.455000      0.6911000       2.455000 0.9529000       2.455000       1.001000      0.3190000E-03   1.382000
  1 1 1     -27  -27   16 o    2.362000      0.6769000       2.806000 1.026000       1.919000      0.8838000      0.8868000       1.354000
  1 1 1     -27  -27   17 o    3.110000      0.7277000       3.174000 1.011000       3.046000       1.047000      0.1280000       1.455000
  1 1 1     -27  -27   18 o    2.265000      0.6730000       2.487000 0.9899000       2.042000      0.9121000      0.4444000       1.346000
  1 1 1     -27  -27   19 o    2.095000      0.6525000       2.168000 0.9344000       2.022000      0.9110000      0.1462000       1.305000
  1 1 1     -27  -26    1 o    5.391000      0.7779000       5.272000 1.188000       5.511000       1.005000     -0.2390000       1.556000
  1 1 1     -27  -26    2 o    4.337000      0.7661000       4.337000 0.7661000                  ?              ?              ?              ?
  1 1 1     -27  -26    3 o    2.056000      0.6256000       1.841000 0.8217000       2.272000      0.9435000     -0.4301000       1.251000
  1 1 1     -27  -26    4 o    2.178000      0.6592000       2.009000 0.7814000       2.348000       1.062000     -0.3393000       1.318000
  1 1 1     -27  -26    5 f    2.224000      0.6887000       1.600000 0.7702000       2.848000       1.142000      -1.248000       1.377000
  1 1 1     -27  -26    6 o    2.214000      0.6407000       2.535000 0.9434000       1.892000      0.8672000      0.6422000       1.281000
  1 1 1     -27  -26    7 f    2.137000      0.6111000       1.572000 0.7403000       2.702000      0.9726000      -1.130000       1.222000
  1 1 1     -27  -26    8 f    7.721000      0.3929000       7.281000 0.5441000       8.162000      0.5669000     -0.8809000      0.7857000
  1 1 1     -27  -26    9 o    2.423000      0.6699000       2.592000 0.9627000       2.254000      0.9318000      0.3371000       1.340000
  1 1 1     -27  -26   10 o    3.801000      0.7068000       3.689000 0.9532000       3.914000       1.044000     -0.2257000       1.414000
  1 1 1     -27  -26   11 o    3.395000      0.7216000       3.271000 1.015000       3.518000       1.026000     -0.2470000       1.443000
  1 1 1     -27  -26   12 o    3.902000      0.7179000       3.867000 0.9829000       3.937000       1.047000     -0.6959000E-01   1.436000
  1 1 1     -27  -26   13 o    2.036000      0.6351000       1.991000 0.8761000       2.080000      0.9197000     -0.8845000E-01   1.270000
  1 1 1     -27  -26   14 o    2.882000      0.7421000       2.373000 0.9675000       3.390000       1.125000      -1.018000       1.484000
  1 1 1     -27  -26   15 o    2.779000      0.6775000       3.467000 0.9750000       2.091000      0.9409000       1.376000       1.355000
  1 1 1     -27  -26   16 o    3.979000      0.6961000       4.320000 0.9394000       3.638000       1.028000      0.6819000       1.392000
  1 1 1     -27  -26   17 o    4.195000      0.6720000       5.141000 0.7741000       3.249000       1.099000       1.893000       1.344000
  1 1 1     -27  -26   18 o    2.531000      0.6924000       1.982000 0.8885000       3.081000       1.062000      -1.100000       1.385000
  1 1 1     -27  -26   19 o    2.788000      0.7323000       2.546000 1.013000       3.029000       1.057000     -0.4824000       1.465000
  1 1 1     -27  -26   20 o    2.503000      0.6974000       2.540000 0.9829000       2.467000      0.9897000      0.7387000E-01   1.395000
  1 1 1     -27  -25    1 o    3.283000      0.8168000       3.220000 1.171000       3.346000       1.139000     -0.1255000       1.634000
  1 1 1     -27  -25    2 o    3.614000       1.300000       3.614000 1.300000                  ?              ?              ?              ?
  1 1 1     -27  -25    3 o    9.992000      0.3043000       10.52000 0.4164000       9.462000      0.4438000       1.060000      0.6086000
  1 1 1     -27  -25    4 f    2.281000      0.9386000                  ?       ?   2.281000      0.9386000                  ?              ?
  1 1 1     -27  -25    5 o    2.458000      0.6641000       2.387000 0.9172000       2.529000      0.9607000     -0.1420000       1.328000
  1 1 1     -27  -25    6 o    2.574000      0.7536000       2.539000 0.9901000       2.610000       1.136000     -0.7090000E-01   1.507000
  1 1 1     -27  -25    7 o    2.449000      0.6642000       2.777000 0.9596000       2.121000      0.9187000      0.6564000       1.328000
  1 1 1     -27  -25    8 o    2.797000      0.7004000       2.776000 0.9427000       2.819000       1.036000     -0.4290000E-01   1.401000
  1 1 1     -27  -25    9 o    7.371000      0.4474000       7.567000 0.6597000       7.175000      0.6046000      0.3927000      0.8948000
  1 1 1     -27  -25   10 o    2.152000      0.6364000       2.548000 0.9708000       1.756000      0.8230000      0.7922000       1.273000
  1 1 1     -27  -25   11 o    2.794000      0.6929000       3.212000 0.9877000       2.376000      0.9720000      0.8358000       1.386000
  1 1 1     -27  -25   12 o    3.043000      0.7076000       3.682000 0.9782000       2.405000       1.023000       1.278000       1.415000
  1 1 1     -27  -25   13 o    2.194000      0.6696000       2.267000 0.9624000       2.120000      0.9312000      0.1472000       1.339000
  1 1 1     -27  -25   14 o    2.093000      0.6446000       2.488000 0.9983000       1.698000      0.8156000      0.7892000       1.289000
  1 1 1     -27  -25   15 o    3.641000      0.7284000       3.278000 1.027000       4.004000       1.034000     -0.7262000       1.457000
  1 1 1     -27  -25   16 o    4.216000      0.6718000       4.533000 0.9057000       3.898000      0.9926000      0.6348000       1.344000
  1 1 1     -27  -25   17 o    3.246000      0.7346000       2.786000 1.019000       3.705000       1.058000     -0.9195000       1.469000
  1 1 1     -27  -25   18 o    2.179000      0.6480000       2.514000 0.9753000       1.845000      0.8534000      0.6692000       1.296000
  1 1 1     -27  -25   19 o    3.605000      0.7517000       3.452000 1.052000       3.759000       1.074000     -0.3071000       1.503000
  1 1 1     -27  -25   20 o    3.328000      0.7390000       3.121000 1.014000       3.535000       1.075000     -0.4142000       1.478000
  1 1 1     -27  -25   21 o    2.823000      0.6959000       3.178000 0.9806000       2.468000      0.9876000      0.7103000       1.392000
  1 1 1     -27  -24    1 o    3.822000      0.5949000       4.114000 0.7168000       3.531000      0.9496000      0.5831000       1.190000
  1 1 1     -27  -24    2 o    5.436000      0.5625000       6.605000 0.5246000       4.268000      0.9952000       2.337000       1.125000
  1 1 1     -27  -24    3 o    10.54000      0.4675000       10.42000 0.6942000       10.67000      0.6263000     -0.2556000      0.9349000
  1 1 1     -27  -24    5 o    4.762000      0.5361000       4.643000 0.6969000       4.881000      0.8149000     -0.2389000       1.072000
  1 1 1     -27  -24    6 o    2.959000      0.6780000       2.857000 0.9656000       3.061000      0.9520000     -0.2043000       1.356000
  1 1 1     -27  -24    7 o    3.886000      0.8233000       3.354000 1.065000       4.418000       1.256000      -1.064000       1.647000
  1 1 1     -27  -24    8 o    2.564000      0.7494000       2.575000 1.027000       2.553000       1.092000      0.2193000E-01   1.499000
  1 1 1     -27  -24    9 o    6.559000      0.4424000       6.359000 0.6043000       6.760000      0.6462000     -0.4017000      0.8847000
  1 1 1     -27  -24   10 o    2.152000      0.6257000       1.551000 0.7438000       2.754000       1.006000      -1.203000       1.251000
  1 1 1     -27  -24   11 o    6.887000      0.4338000       6.693000 0.6204000       7.081000      0.6065000     -0.3873000      0.8677000
  1 1 1     -27  -24   12 o    4.473000      0.6038000       4.751000 0.7619000       4.196000      0.9369000      0.5552000       1.208000
  1 1 1     -27  -24   13 o    2.068000      0.6309000       2.486000 0.9808000       1.649000      0.7937000      0.8368000       1.262000
  1 1 1     -27  -24   14 o    3.448000      0.7510000       3.618000 1.011000       3.277000       1.111000      0.3410000       1.502000
  1 1 1     -27  -24   15 o    3.685000      0.6603000       4.816000 0.8311000       2.553000       1.026000       2.262000       1.321000
  1 1 1     -27  -24   16 o    2.320000      0.6886000       1.770000 0.8391000       2.871000       1.092000      -1.102000       1.377000
  1 1 1     -27  -24   17 o    2.056000      0.6488000       2.293000 0.9708000       1.820000      0.8610000      0.4729000       1.298000
  1 1 1     -27  -24   18 o    1.878000      0.6029000       1.416000 0.6954000       2.339000      0.9850000     -0.9228000       1.206000
  1 1 1     -27  -24   19 f    2.440000      0.6502000       1.603000 0.7680000       3.276000       1.049000      -1.673000       1.300000
  1 1 1     -27  -24   20 o    5.227000      0.5658000       5.163000 0.7850000       5.292000      0.8150000     -0.1291000       1.132000
  1 1 1     -27  -24   21 o    4.125000      0.6459000       3.538000 0.9669000       4.713000      0.8568000      -1.174000       1.292000
  1 1 1     -27  -24   22 o    4.606000      0.6412000       4.920000 0.7931000       4.291000       1.008000      0.6293000       1.282000
  1 1 1     -27  -23    1 o    5.372000      0.4408000       4.859000 0.6279000       5.886000      0.6187000      -1.028000      0.8815000
  1 1 1     -27  -23    2 o    3.707000      0.6303000       3.759000 0.8394000       3.655000      0.9405000      0.1040000       1.261000
  1 1 1     -27  -23    3 o    9.175000      0.3180000       9.159000 0.4437000       9.192000      0.4556000     -0.3286000E-01  0.6360000
  1 1 1     -27  -23    4 o    4.769000      0.7615000       5.643000 0.9895000       3.895000       1.158000       1.748000       1.523000
  1 1 1     -27  -23    5 o    7.936000      0.5080000       8.324000 0.7754000       7.547000      0.6566000      0.7769000       1.016000
  1 1 1     -27  -23    6 o    3.442000      0.6453000       4.073000 0.8083000       2.811000       1.006000       1.262000       1.291000
  1 1 1     -27  -23    7 o    7.426000      0.3817000       7.713000 0.5082000       7.140000      0.5695000      0.5730000      0.7633000
  1 1 1     -27  -23    8 o    4.951000      0.7325000       4.669000 0.9906000       5.233000       1.079000     -0.5642000       1.465000
  1 1 1     -27  -23    9 o    4.234000      0.7789000       3.841000 1.046000       4.628000       1.155000     -0.7864000       1.558000
  1 1 1     -27  -23   10 o    4.254000      0.6688000       4.270000 0.9103000       4.239000      0.9801000      0.3020000E-01   1.338000
  1 1 1     -27  -23   11 o    5.180000      0.5369000       5.343000 0.7135000       5.016000      0.8025000      0.3267000       1.074000
  1 1 1     -27  -23   12 o    3.048000      0.6502000       2.050000 0.9031000       4.047000      0.9355000      -1.997000       1.300000
  1 1 1     -27  -23   13 o    3.893000      0.6573000       4.831000 0.7782000       2.956000       1.060000       1.876000       1.315000
  1 1 1     -27  -23   14 o    3.235000      0.7034000       3.602000 0.9298000       2.869000       1.056000      0.7327000       1.407000
  1 1 1     -27  -23   15 o    3.503000      0.7179000       3.829000 0.9424000       3.178000       1.083000      0.6512000       1.436000
  1 1 1     -27  -23   16 o    5.451000      0.5600000       5.328000 0.7421000       5.574000      0.8388000     -0.2456000       1.120000
  1 1 1     -27  -23   17 o    4.541000      0.6665000       4.888000 0.8468000       4.194000       1.030000      0.6941000       1.333000
  1 1 1     -27  -23   18 o    4.304000      0.6791000       4.952000 0.8807000       3.657000       1.034000       1.295000       1.358000
  1 1 1     -27  -23   19 o    4.707000      0.6672000       5.180000 0.8580000       4.234000       1.022000      0.9455000       1.334000
  1 1 1     -27  -23   20 o    3.444000      0.6910000       4.223000 0.9159000       2.666000       1.035000       1.557000       1.382000
  1 1 1     -27  -23   21 o    3.256000      0.6885000       3.894000 0.9391000       2.618000       1.007000       1.277000       1.377000
  1 1 1     -27  -23   22 o    2.390000      0.6948000       2.384000 0.9777000       2.395000      0.9875000     -0.1055000E-01   1.390000
  1 1 1     -27  -22    1 o    5.221000      0.4311000       5.021000 0.5692000       5.420000      0.6475000     -0.3994000      0.8621000
  1 1 1     -27  -22    2 o    4.148000      0.5819000       4.128000 0.7556000       4.168000      0.8852000     -0.4009000E-01   1.164000
  1 1 1     -27  -22    3 o    8.143000      0.3372000       8.669000 0.4483000       7.618000      0.5039000       1.051000      0.6745000
  1 1 1     -27  -22    4 o    7.022000      0.3819000       6.997000 0.5390000       7.047000      0.5413000     -0.5090000E-01  0.7639000
  1 1 1     -27  -22    5 o    9.569000      0.4000000       10.26000 0.6371000       8.876000      0.4840000       1.385000      0.8001000
  1 1 1     -27  -22    6 o    11.25000      0.4532000       11.31000 0.6772000       11.20000      0.6025000      0.1157000      0.9064000
  1 1 1     -27  -22    7 o    9.907000      0.3273000       10.05000 0.4441000       9.763000      0.4810000      0.2880000      0.6547000
  1 1 1     -27  -22    8 o    5.336000      0.4951000       5.943000 0.6143000       4.730000      0.7767000       1.213000      0.9903000
  1 1 1     -27  -22    9 o    3.782000      0.7906000       4.035000 1.009000       3.529000       1.218000      0.5057000       1.581000
  1 1 1     -27  -22   10 o    3.524000      0.8240000       2.480000 1.043000       4.568000       1.276000      -2.088000       1.648000
  1 1 1     -27  -22   11 o    3.113000      0.7254000       2.808000 1.008000       3.418000       1.043000     -0.6101000       1.451000
  1 1 1     -27  -22   12 o    5.542000      0.5348000       5.970000 0.6540000       5.114000      0.8463000      0.8558000       1.070000
  1 1 1     -27  -22   13 o    7.224000      0.4193000       7.049000 0.5757000       7.398000      0.6096000     -0.3486000      0.8385000
  1 1 1     -27  -22   14 o    8.908000      0.3815000       8.919000 0.5270000       8.896000      0.5516000      0.2266000E-01  0.7629000
  1 1 1     -27  -22   15 o    6.342000      0.5039000       5.998000 0.7099000       6.687000      0.7153000     -0.6894000       1.008000
  1 1 1     -27  -22   16 o    6.840000      0.4680000       6.977000 0.6030000       6.704000      0.7159000      0.2724000      0.9360000
  1 1 1     -27  -22   17 o    4.523000      0.6833000       5.361000 0.8165000       3.685000       1.096000       1.676000       1.367000
  1 1 1     -27  -22   18 o    3.738000      0.7351000       4.457000 0.9705000       3.020000       1.104000       1.437000       1.470000
  1 1 1     -27  -22   19 o    3.780000      0.7211000       3.902000 0.9948000       3.657000       1.044000      0.2450000       1.442000
  1 1 1     -27  -22   20 o    2.553000      0.7092000       2.954000 1.058000       2.151000      0.9451000      0.8021000       1.418000
  1 1 1     -27  -22   21 o    2.751000      0.7131000       3.257000 1.048000       2.245000      0.9677000       1.012000       1.426000
  1 1 1     -27  -22   22 o    2.387000      0.6973000       2.519000 1.002000       2.256000      0.9697000      0.2629000       1.395000
  1 1 1     -27  -22   23 o    3.021000      0.7356000       3.256000 1.037000       2.787000       1.043000      0.4692000       1.471000
  1 1 1     -27  -21    1 o    7.802000      0.3274000       7.353000 0.4618000       8.250000      0.4642000     -0.8968000      0.6548000
  1 1 1     -27  -21    2 o    6.690000      0.3804000       7.362000 0.4644000       6.018000      0.6027000       1.343000      0.7608000
  1 1 1     -27  -21    3 o    14.64000      0.4078000       14.64000 0.4078000                  ?              ?              ?              ?
  1 1 1     -27  -21    4 o    9.365000      0.3154000       9.765000 0.4324000       8.964000      0.4592000      0.8015000      0.6307000
  1 1 1     -27  -21    5 o    14.87000      0.4304000                  ?       ?   14.87000      0.4304000                  ?              ?
  1 1 1     -27  -21    6 o    9.934000      0.2976000       10.23000 0.4096000       9.634000      0.4319000      0.6009000      0.5952000
  1 1 1     -27  -21    7 o    8.329000      0.5098000       8.917000 0.7211000       7.740000      0.7208000       1.177000       1.020000
  1 1 1     -27  -21    8 o    3.037000      0.6800000       2.913000 0.9432000       3.162000      0.9798000     -0.2490000       1.360000
  1 1 1     -27  -21    9 o    7.163000      0.3915000       7.632000 0.5029000       6.695000      0.6002000      0.9364000      0.7830000
  1 1 1     -27  -21   10 o    4.526000      0.8138000       4.519000 1.039000       4.533000       1.253000     -0.1429000E-01   1.628000
  1 1 1     -27  -21   11 o    8.305000      0.5251000       8.368000 0.6670000       8.242000      0.8113000      0.1260000       1.050000
  1 1 1     -27  -21   12 o    9.278000      0.3507000       9.507000 0.4862000       9.048000      0.5055000      0.4587000      0.7014000
  1 1 1     -27  -21   13 o    10.54000      0.3447000       10.79000 0.4735000       10.28000      0.5009000      0.5033000      0.6893000
  1 1 1     -27  -21   14 o    7.112000      0.4328000       7.443000 0.5737000       6.781000      0.6481000      0.6624000      0.8656000
  1 1 1     -27  -21   15 o    4.552000      0.6368000       5.133000 0.7567000       3.971000       1.024000       1.162000       1.274000
  1 1 1     -27  -21   16 o    4.611000      0.6696000       3.330000 1.059000       5.892000      0.8197000      -2.562000       1.339000
  1 1 1     -27  -21   17 o    2.500000      0.7202000       2.557000 1.003000       2.443000       1.034000      0.1136000       1.440000
  1 1 1     -27  -21   18 o    4.787000      0.6147000       4.480000 0.8870000       5.093000      0.8513000     -0.6126000       1.229000
  1 1 1     -27  -21   19 o    4.826000      0.6364000       5.278000 0.8104000       4.374000      0.9815000      0.9042000       1.273000
  1 1 1     -27  -21   20 o    2.897000      0.7313000       2.703000 1.043000       3.092000       1.025000     -0.3892000       1.463000
  1 1 1     -27  -21   21 o    3.551000      0.6319000       5.029000 0.8625000       2.074000      0.9238000       2.955000       1.264000
  1 1 1     -27  -21   22 o    2.494000      0.7148000       2.054000 0.9184000       2.934000       1.096000     -0.8802000       1.430000
  1 1 1     -27  -21   23 o    3.885000      0.6731000       4.823000 0.8445000       2.947000       1.048000       1.876000       1.346000
  1 1 1     -27  -20    1 f    8.119000      0.3145000       8.093000 0.4271000       8.144000      0.4616000     -0.5136000E-01  0.6289000
  1 1 1     -27  -20    2 o    5.919000      0.3930000       5.851000 0.5239000       5.987000      0.5858000     -0.1359000      0.7859000
  1 1 1     -27  -20    3 o    7.584000      0.4598000       7.584000 0.4598000                  ?              ?              ?              ?
  1 1 1     -27  -20    4 o    3.447000      0.6101000       3.997000 0.7503000       2.896000      0.9624000       1.100000       1.220000
  1 1 1     -27  -20    5 o    7.925000      0.4816000                  ?       ?   7.925000      0.4816000                  ?              ?
  1 1 1     -27  -20    6 o    2.185000      0.5880000       1.458000 0.7022000       2.912000      0.9434000      -1.454000       1.176000
  1 1 1     -27  -20    7 o    5.416000      0.6380000       4.978000 1.127000       5.854000      0.5980000     -0.8761000       1.276000
  1 1 1     -27  -20    8 o    9.346000      0.4603000       9.131000 0.6773000       9.560000      0.6237000     -0.4296000      0.9207000
  1 1 1     -27  -20    9 o    7.549000      0.3593000       7.639000 0.4825000       7.458000      0.5326000      0.1808000      0.7187000
  1 1 1     -27  -20   10 o    2.194000      0.6580000       2.128000 0.9094000       2.260000      0.9512000     -0.1318000       1.316000
  1 1 1     -27  -20   11 o    6.272000      0.6494000       6.633000 0.7704000       5.912000       1.046000      0.7215000       1.299000
  1 1 1     -27  -20   12 o    4.270000      0.6239000       4.641000 0.7993000       3.898000      0.9582000      0.7425000       1.248000
  1 1 1     -27  -20   13 f    6.799000      0.4367000       6.834000 0.6158000       6.764000      0.6193000      0.7067000E-01  0.8733000
  1 1 1     -27  -20   14 o    3.544000      0.7300000       4.031000 0.9931000       3.058000       1.070000      0.9734000       1.460000
  1 1 1     -27  -20   15 o    7.905000      0.4099000       7.483000 0.5793000       8.328000      0.5802000     -0.8445000      0.8199000
  1 1 1     -27  -20   16 o    7.660000      0.4139000       7.496000 0.5690000       7.823000      0.6013000     -0.3264000      0.8278000
  1 1 1     -27  -20   17 o    4.925000      0.6315000       6.082000 0.6633000       3.768000       1.075000       2.315000       1.263000
  1 1 1     -27  -20   18 o    3.373000      0.6993000       4.265000 0.9799000       2.481000      0.9980000       1.785000       1.399000
  1 1 1     -27  -20   19 o    2.873000      0.7200000       2.288000 0.9806000       3.458000       1.055000      -1.170000       1.440000
  1 1 1     -27  -20   20 o    3.793000      0.7226000       3.592000 1.070000       3.994000      0.9720000     -0.4016000       1.445000
  1 1 1     -27  -20   21 o    2.445000      0.7105000       2.239000 0.9700000       2.650000       1.038000     -0.4110000       1.421000
  1 1 1     -27  -20   22 o    2.398000      0.6511000       3.135000 1.029000       1.661000      0.7987000       1.474000       1.302000
  1 1 1     -27  -20   23 o    2.658000      0.6968000       3.302000 1.052000       2.014000      0.9136000       1.288000       1.394000
  1 1 1     -27  -20   24 o    2.094000      0.6447000       1.965000 0.8784000       2.224000      0.9440000     -0.2599000       1.289000
  1 1 1     -27  -19    1 o    7.737000      0.3161000       7.931000 0.4182000       7.543000      0.4740000      0.3875000      0.6321000
  1 1 1     -27  -19    2 o    13.14000      0.2813000       13.08000 0.3879000       13.20000      0.4074000     -0.1263000      0.5625000
  1 1 1     -27  -19    3 o    13.21000      0.2854000       13.80000 0.4006000       12.63000      0.4067000       1.173000      0.5709000
  1 1 1     -27  -19    4 o    8.774000      0.3105000       8.688000 0.4319000       8.859000      0.4463000     -0.1714000      0.6210000
  1 1 1     -27  -19    5 o    7.962000      0.3170000       7.461000 0.4503000       8.462000      0.4463000      -1.001000      0.6340000
  1 1 1     -27  -19    6 o    2.600000      0.6618000       2.494000 0.9211000       2.706000      0.9504000     -0.2120000       1.324000
  1 1 1     -27  -19    7 o    10.35000      0.3050000       10.41000 0.4242000       10.29000      0.4385000      0.1282000      0.6101000
  1 1 1     -27  -19    8 o    6.482000      0.5627000       6.990000 0.7726000       5.975000      0.8183000       1.014000       1.125000
  1 1 1     -27  -19    9 o    4.348000      0.8002000       4.374000 1.216000       4.322000       1.041000      0.5194000E-01   1.600000
  1 1 1     -27  -19   10 o    5.362000      0.5104000       5.915000 0.6347000       4.810000      0.7995000       1.105000       1.021000
  1 1 1     -27  -19   11 o    4.825000      0.5667000       4.538000 0.8576000       5.113000      0.7410000     -0.5757000       1.133000
  1 1 1     -27  -19   12 o    4.177000      0.7929000       3.188000 1.148000       5.165000       1.094000      -1.977000       1.586000
  1 1 1     -27  -19   13 o    6.215000      0.4656000       6.549000 0.5984000       5.880000      0.7134000      0.6692000      0.9311000
  1 1 1     -27  -19   14 o    7.819000      0.3917000       8.279000 0.5329000       7.359000      0.5742000      0.9204000      0.7834000
  1 1 1     -27  -19   15 o    8.710000      0.3833000       7.795000 0.5639000       9.625000      0.5194000      -1.829000      0.7667000
  1 1 1     -27  -19   16 o    2.531000      0.7116000       2.448000 0.9848000       2.614000       1.028000     -0.1659000       1.423000
  1 1 1     -27  -19   17 o    6.323000      0.4896000       6.256000 0.6671000       6.390000      0.7167000     -0.1338000      0.9791000
  1 1 1     -27  -19   18 o    7.409000      0.4529000       7.891000 0.5806000       6.928000      0.6954000      0.9633000      0.9059000
  1 1 1     -27  -19   19 o    3.797000      0.7041000       3.211000 1.055000       4.383000      0.9326000      -1.173000       1.408000
  1 1 1     -27  -19   20 o    3.485000      0.7589000       3.238000 1.092000       3.731000       1.054000     -0.4936000       1.518000
  1 1 1     -27  -19   21 o    3.267000      0.7056000       3.907000 0.9942000       2.627000       1.002000       1.280000       1.411000
  1 1 1     -27  -19   22 o    1.591000      0.5442000       1.505000 0.7362000       1.677000      0.8018000     -0.1723000       1.088000
  1 1 1     -27  -19   23 o    3.165000      0.6824000       3.964000 0.9520000       2.367000      0.9781000       1.597000       1.365000
  1 1 1     -27  -19   24 o    1.975000      0.6269000       2.096000 0.9142000       1.855000      0.8582000      0.2415000       1.254000
  1 1 1     -27  -18    1 o    8.537000      0.2994000       8.421000 0.4134000       8.653000      0.4331000     -0.2320000      0.5988000
  1 1 1     -27  -18    2 o    10.97000      0.2776000       11.04000 0.3805000       10.90000      0.4043000      0.1463000      0.5551000
  1 1 1     -27  -18    3 o    9.596000      0.3035000       9.601000 0.4229000       9.592000      0.4355000      0.9521000E-02  0.6070000
  1 1 1     -27  -18    4 o    15.80000      0.2951000       16.14000 0.4182000       15.46000      0.4164000      0.6870000      0.5902000
  1 1 1     -27  -18    5 o    8.271000      0.3208000       8.416000 0.4475000       8.125000      0.4597000      0.2905000      0.6415000
  1 1 1     -27  -18    6 o    2.950000      0.6549000       3.131000 0.8893000       2.769000      0.9617000      0.3622000       1.310000
  1 1 1     -27  -18    7 o    13.34000      0.2926000       12.93000 0.4113000       13.74000      0.4163000     -0.8094000      0.5852000
  1 1 1     -27  -18    8 o    8.728000      0.3202000       8.993000 0.4481000       8.463000      0.4576000      0.5297000      0.6404000
  1 1 1     -27  -18    9 o    4.643000      0.7575000       5.235000 1.035000       4.052000       1.107000       1.183000       1.515000
  1 1 1     -27  -18   10 o    13.51000      0.3613000       13.38000 0.4174000       13.65000      0.5900000     -0.2756000      0.7227000
  1 1 1     -27  -18   11 o    10.36000      0.3254000       10.18000 0.4600000       10.54000      0.4602000     -0.3588000      0.6507000
  1 1 1     -27  -18   12 o    2.053000      0.6742000       1.996000 0.9224000       2.110000      0.9836000     -0.1141000       1.348000
  1 1 1     -27  -18   13 o    5.131000      0.7676000       5.989000 0.8821000       4.272000       1.256000       1.717000       1.535000
  1 1 1     -27  -18   14 o    2.849000      0.7249000       2.787000 1.004000       2.912000       1.046000     -0.1258000       1.450000
  1 1 1     -27  -18   15 o    8.844000      0.3725000       8.621000 0.5133000       9.067000      0.5400000     -0.4461000      0.7450000
  1 1 1     -27  -18   16 o    11.24000      0.3304000       11.64000 0.4593000       10.84000      0.4751000      0.8033000      0.6608000
  1 1 1     -27  -18   17 o    9.702000      0.3542000       9.583000 0.4959000       9.821000      0.5057000     -0.2375000      0.7083000
  1 1 1     -27  -18   18 o    8.824000      0.3807000       9.018000 0.5175000       8.630000      0.5586000      0.3888000      0.7615000
  1 1 1     -27  -18   19 o    2.796000      0.7216000       3.170000 1.051000       2.421000      0.9892000      0.7490000       1.443000
  1 1 1     -27  -18   20 o    8.375000      0.3947000       7.722000 0.5788000       9.029000      0.5368000      -1.307000      0.7894000
  1 1 1     -27  -18   21 o    2.860000      0.6974000       2.291000 0.9668000       3.429000       1.005000      -1.139000       1.395000
  1 1 1     -27  -18   22 o    2.852000      0.6825000       2.066000 0.9137000       3.637000       1.014000      -1.571000       1.365000
  1 1 1     -27  -18   23 o    2.706000      0.7165000       2.577000 1.003000       2.834000       1.023000     -0.2567000       1.433000
  1 1 1     -27  -18   24 o    2.420000      0.6813000       2.250000 0.9315000       2.590000      0.9945000     -0.3404000       1.363000
  1 1 1     -27  -18   25 o    2.698000      0.7076000       3.114000 1.038000       2.281000      0.9620000      0.8331000       1.415000
  1 1 1     -27  -17    1 o    6.765000      0.3397000       6.469000 0.4835000       7.061000      0.4773000     -0.5928000      0.6794000
  1 1 1     -27  -17    2 o    8.176000      0.3085000       7.930000 0.4338000       8.422000      0.4388000     -0.4923000      0.6171000
  1 1 1     -27  -17    3 o    12.58000      0.2841000       12.93000 0.3892000       12.22000      0.4139000      0.7073000      0.5681000
  1 1 1     -27  -17    4 o    8.097000      0.3107000       8.094000 0.4475000       8.101000      0.4312000     -0.6778000E-02  0.6215000
  1 1 1     -27  -17    5 f    3.030000      0.6281000       2.469000 0.8875000       3.591000      0.8890000      -1.123000       1.256000
  1 1 1     -27  -17    6 o    5.795000      0.3992000       5.861000 0.5298000       5.728000      0.5971000      0.1334000      0.7983000
  1 1 1     -27  -17    7 o    8.437000      0.3218000       8.418000 0.4472000       8.456000      0.4628000     -0.3799000E-01  0.6436000
  1 1 1     -27  -17    8 o    5.868000      0.4183000       6.079000 0.5784000       5.658000      0.6045000      0.4211000      0.8366000
  1 1 1     -27  -17    9 o    5.736000      0.4058000       5.530000 0.5435000       5.942000      0.6028000     -0.4118000      0.8116000
  1 1 1     -27  -17   10 o    9.814000      0.4648000       10.73000 0.6492000       8.896000      0.6652000       1.836000      0.9295000
  1 1 1     -27  -17   11 o    8.862000      0.3416000       8.850000 0.4743000       8.874000      0.4916000     -0.2434000E-01  0.6831000
  1 1 1     -27  -17   12 o    3.827000      0.6542000       3.732000 0.9399000       3.922000      0.9103000     -0.1901000       1.308000
  1 1 1     -27  -17   13 o    4.908000      0.7514000       5.022000 0.9944000       4.794000       1.127000      0.2281000       1.503000
  1 1 1     -27  -17   14 o    4.117000      0.6329000       4.829000 0.7528000       3.404000       1.018000       1.424000       1.266000
  1 1 1     -27  -17   15 o    4.563000      0.6068000       4.915000 0.7708000       4.211000      0.9373000      0.7041000       1.214000
  1 1 1     -27  -17   16 f    2.937000      0.7274000       2.915000 1.026000       2.959000       1.031000     -0.4479000E-01   1.455000
  1 1 1     -27  -17   17 o    5.556000      0.5283000       5.457000 0.7362000       5.654000      0.7580000     -0.1973000       1.057000
  1 1 1     -27  -17   18 o    4.922000      0.5908000       4.877000 0.8386000       4.967000      0.8324000     -0.8969000E-01   1.182000
  1 1 1     -27  -17   19 o    8.493000      0.3920000       8.536000 0.5415000       8.450000      0.5670000      0.8647000E-01  0.7841000
  1 1 1     -27  -17   20 o    6.310000      0.4771000       7.101000 0.5936000       5.519000      0.7471000       1.582000      0.9542000
  1 1 1     -27  -17   21 o    4.739000      0.6354000       5.839000 0.7219000       3.639000       1.046000       2.200000       1.271000
  1 1 1     -27  -17   22 o    2.999000      0.7026000       2.322000 0.9773000       3.677000       1.010000      -1.355000       1.405000
  1 1 1     -27  -17   23 o    3.003000      0.7312000       3.009000 1.022000       2.998000       1.046000      0.1061000E-01   1.462000
  1 1 1     -27  -17   24 o    2.197000      0.6707000       2.329000 0.9702000       2.066000      0.9262000      0.2632000       1.341000
  1 1 1     -27  -17   25 o    1.876000      0.6069000       1.942000 0.8825000       1.810000      0.8333000      0.1321000       1.214000
  1 1 1     -27  -16    1 o    7.392000      0.3805000       7.512000 0.4219000       7.272000      0.6332000      0.2404000      0.7609000
  1 1 1     -27  -16    2 o    11.87000      0.2770000       11.69000 0.3847000       12.05000      0.3985000     -0.3578000      0.5539000
  1 1 1     -27  -16    3 o    7.380000      0.3263000       6.936000 0.4570000       7.824000      0.4658000     -0.8885000      0.6525000
  1 1 1     -27  -16    4 o    12.92000      0.3956000       12.92000 0.3956000                  ?              ?              ?              ?
  1 1 1     -27  -16    5 o    12.92000      0.2842000       13.21000 0.3999000       12.62000      0.4041000      0.5892000      0.5685000
  1 1 1     -27  -16    6 o    11.49000      0.4132000                  ?       ?   11.49000      0.4132000                  ?              ?
  1 1 1     -27  -16    7 o    9.378000      0.3071000       9.295000 0.4306000       9.461000      0.4379000     -0.1656000      0.6141000
  1 1 1     -27  -16    8 o    12.13000      0.2936000       12.61000 0.4128000       11.66000      0.4177000      0.9528000      0.5872000
  1 1 1     -27  -16    9 f    4.321000      0.5554000       4.385000 0.7677000       4.257000      0.8029000      0.1280000       1.111000
  1 1 1     -27  -16   10 o    3.760000      0.7959000       3.584000 1.158000       3.936000       1.093000     -0.3520000       1.592000
  1 1 1     -27  -16   11 o    3.865000      0.6894000       4.226000 0.7734000       3.503000       1.142000      0.7234000       1.379000
  1 1 1     -27  -16   12 o    5.239000      0.4928000       5.208000 0.6753000       5.270000      0.7178000     -0.6190000E-01  0.9855000
  1 1 1     -27  -16   13 o    2.521000      0.7484000       2.475000 1.042000       2.567000       1.074000     -0.9159000E-01   1.497000
  1 1 1     -27  -16   14 f    3.627000      0.8362000       3.475000 1.144000       3.780000       1.220000     -0.3056000       1.672000
  1 1 1     -27  -16   15 o    4.491000      0.6011000       3.930000 0.9054000       5.051000      0.7911000      -1.121000       1.202000
  1 1 1     -27  -16   16 o    2.868000      0.7214000       2.566000 0.9890000       3.170000       1.051000     -0.6040000       1.443000
  1 1 1     -27  -16   17 o    4.065000      0.6781000       3.419000 1.004000       4.711000      0.9118000      -1.293000       1.356000
  1 1 1     -27  -16   18 o    5.897000      0.5068000       5.426000 0.7666000       6.367000      0.6632000     -0.9411000       1.014000
  1 1 1     -27  -16   19 o    4.079000      0.6959000       3.682000 1.025000       4.477000      0.9421000     -0.7943000       1.392000
  1 1 1     -27  -16   20 o    4.345000      0.6554000       5.500000 0.7755000       3.190000       1.057000       2.310000       1.311000
  1 1 1     -27  -16   21 o    10.86000      0.3425000       11.38000 0.4819000       10.35000      0.4870000       1.032000      0.6851000
  1 1 1     -27  -16   22 o    3.647000      0.7298000       3.269000 1.064000       4.024000      0.9994000     -0.7554000       1.460000
  1 1 1     -27  -16   23 o    3.822000      0.6925000       3.142000 1.043000       4.502000      0.9118000      -1.360000       1.385000
  1 1 1     -27  -16   24 o    4.800000      0.6038000       5.714000 0.7033000       3.887000      0.9817000       1.827000       1.208000
  1 1 1     -27  -16   25 o    4.031000      0.6586000       3.288000 1.020000       4.774000      0.8332000      -1.486000       1.317000
  1 1 1     -27  -15    1 o    5.391000      0.4006000       5.718000 0.5040000       5.064000      0.6229000      0.6538000      0.8012000
  1 1 1     -27  -15    2 o    7.745000      0.3169000       8.179000 0.4163000       7.312000      0.4779000      0.8669000      0.6338000
  1 1 1     -27  -15    3 o    4.204000      0.5182000       4.400000 0.6489000       4.009000      0.8080000      0.3910000       1.036000
  1 1 1     -27  -15    4 o    9.166000      0.4154000       9.166000 0.4154000                  ?              ?              ?              ?
  1 1 1     -27  -15    5 o    10.81000      0.2841000       10.70000 0.3998000       10.91000      0.4038000     -0.2161000      0.5683000
  1 1 1     -27  -15    6 o    3.064000      0.9015000                  ?       ?   3.064000      0.9015000                  ?              ?
  1 1 1     -27  -15    7 o    13.60000      0.2863000       13.55000 0.4024000       13.64000      0.4075000     -0.8973000E-01  0.5727000
  1 1 1     -27  -15    8 o    15.66000      0.2973000       15.71000 0.4209000       15.62000      0.4199000      0.8949000E-01  0.5945000
  1 1 1     -27  -15    9 o    5.753000      0.4147000       6.440000 0.5237000       5.065000      0.6432000       1.375000      0.8294000
  1 1 1     -27  -15   10 o    3.215000      0.7774000       3.354000 1.105000       3.076000       1.094000      0.2779000       1.555000
  1 1 1     -27  -15   11 o    5.734000      0.6140000       5.589000 0.8972000       5.879000      0.8384000     -0.2895000       1.228000
  1 1 1     -27  -15   12 o    10.15000      0.3213000       10.08000 0.4519000       10.22000      0.4568000     -0.1483000      0.6425000
  1 1 1     -27  -15   13 o    4.820000      0.4773000       4.317000 0.7416000       5.323000      0.6010000      -1.006000      0.9545000
  1 1 1     -27  -15   14 o    2.266000      0.7242000       2.093000 0.9529000       2.439000       1.091000     -0.3460000       1.448000
  1 1 1     -27  -15   15 o    4.921000      0.5614000       5.300000 0.7240000       4.543000      0.8583000      0.7577000       1.123000
  1 1 1     -27  -15   16 o    4.891000      0.5689000       5.008000 0.7748000       4.774000      0.8333000      0.2339000       1.138000
  1 1 1     -27  -15   17 o    2.536000      0.7048000       2.764000 1.020000       2.309000      0.9731000      0.4552000       1.410000
  1 1 1     -27  -15   18 o    8.200000      0.3975000       8.677000 0.5207000       7.724000      0.6006000      0.9532000      0.7949000
  1 1 1     -27  -15   19 o    4.627000      0.6474000       4.338000 0.9571000       4.915000      0.8720000     -0.5768000       1.295000
  1 1 1     -27  -15   20 o    6.298000      0.4900000       6.232000 0.6974000       6.365000      0.6886000     -0.1328000      0.9801000
  1 1 1     -27  -15   21 o    4.318000      0.6861000       3.903000 0.9975000       4.734000      0.9422000     -0.8306000       1.372000
  1 1 1     -27  -15   22 o    1.968000      0.6292000       2.165000 0.9424000       1.771000      0.8339000      0.3931000       1.258000
  1 1 1     -27  -15   23 o    3.828000      0.7160000       3.641000 1.042000       4.015000      0.9824000     -0.3739000       1.432000
  1 1 1     -27  -15   24 o    4.248000      0.6771000       4.710000 0.8872000       3.787000       1.023000      0.9235000       1.354000
  1 1 1     -27  -15   25 o    6.274000      0.4609000       6.756000 0.5997000       5.791000      0.7001000      0.9651000      0.9218000
  1 1 1     -27  -14    1 o    7.347000      0.3082000       7.191000 0.4284000       7.504000      0.4432000     -0.3126000      0.6164000
  1 1 1     -27  -14    2 o    12.88000      0.2728000       12.54000 0.3814000       13.22000      0.3902000     -0.6772000      0.5456000
  1 1 1     -27  -14    3 o    3.908000      0.5286000       3.513000 0.7740000       4.303000      0.7202000     -0.7898000       1.057000
  1 1 1     -27  -14    4 o    4.045000      0.5398000       4.204000 0.7028000       3.887000      0.8196000      0.3169000       1.080000
  1 1 1     -27  -14    5 o    7.766000      0.3191000       8.041000 0.4309000       7.492000      0.4706000      0.5491000      0.6381000
  1 1 1     -27  -14    6 o    12.16000      0.2841000       12.24000 0.4008000       12.07000      0.4028000      0.1738000      0.5683000
  1 1 1     -27  -14    7 o    8.866000      0.3019000       8.923000 0.4186000       8.808000      0.4350000      0.1154000      0.6037000
  1 1 1     -27  -14    8 o    8.368000      0.3240000       8.031000 0.4609000       8.705000      0.4556000     -0.6741000      0.6481000
  1 1 1     -27  -14    9 f    9.867000      0.2992000       10.24000 0.4187000       9.496000      0.4275000      0.7410000      0.5984000
  1 1 1     -27  -14   10 o    9.465000      0.3157000       9.698000 0.4313000       9.232000      0.4611000      0.4658000      0.6314000
  1 1 1     -27  -14   11 o    8.264000      0.4657000       8.526000 0.6716000       8.001000      0.6454000      0.5249000      0.9314000
  1 1 1     -27  -14   12 o    6.313000      0.4187000       6.221000 0.5785000       6.405000      0.6053000     -0.1843000      0.8373000
  1 1 1     -27  -14   13 o    9.344000      0.3335000       8.770000 0.4812000       9.919000      0.4619000      -1.149000      0.6670000
  1 1 1     -27  -14   14 o    4.096000      0.7623000       5.230000 0.9650000       2.961000       1.180000       2.269000       1.525000
  1 1 1     -27  -14   15 o    7.544000      0.3879000       7.742000 0.5385000       7.346000      0.5584000      0.3959000      0.7757000
  1 1 1     -27  -14   16 o    2.651000      0.6900000       2.275000 0.9338000       3.027000       1.016000     -0.7518000       1.380000
  1 1 1     -27  -14   17 o    7.756000      0.5019000       7.899000 0.8116000       7.613000      0.5907000      0.2862000       1.004000
  1 1 1     -27  -14   18 o    2.591000      0.7090000       2.782000 1.012000       2.400000      0.9937000      0.3815000       1.418000
  1 1 1     -27  -14   19 o    5.153000      0.5832000       4.554000 0.9033000       5.752000      0.7378000      -1.198000       1.166000
  1 1 1     -27  -14   20 o    2.877000      0.7390000       2.692000 1.024000       3.061000       1.066000     -0.3689000       1.478000
  1 1 1     -27  -14   21 o    7.920000      0.4172000       7.629000 0.6075000       8.212000      0.5720000     -0.5836000      0.8344000
  1 1 1     -27  -14   22 o    4.866000      0.5982000       4.486000 0.9070000       5.246000      0.7802000     -0.7604000       1.196000
  1 1 1     -27  -14   23 o    2.777000      0.7210000       2.981000 1.036000       2.572000       1.003000      0.4093000       1.442000
  1 1 1     -27  -14   24 o    8.837000      0.3693000       8.913000 0.5333000       8.762000      0.5110000      0.1513000      0.7386000
  1 1 1     -27  -14   25 o    5.826000      0.4934000       6.381000 0.6281000       5.271000      0.7612000       1.109000      0.9869000
  1 1 1     -27  -14   26 o    4.469000      0.7335000       4.636000 1.137000       4.303000      0.9271000      0.3328000       1.467000
  1 1 1     -27  -13    1 o    7.081000      0.3173000       7.112000 0.4417000       7.050000      0.4556000      0.6230000E-01  0.6346000
  1 1 1     -27  -13    2 o    15.16000      0.2796000       14.84000 0.3896000       15.48000      0.4010000     -0.6384000      0.5591000
  1 1 1     -27  -13    3 o    11.45000      0.2736000       11.10000 0.3788000       11.81000      0.3950000     -0.7025000      0.5472000
  1 1 1     -27  -13    4 o    2.367000      0.6162000       2.362000 0.8648000       2.373000      0.8780000     -0.1171000E-01   1.232000
  1 1 1     -27  -13    5 o    4.009000      0.5329000       4.746000 0.6169000       3.272000      0.8690000       1.474000       1.066000
  1 1 1     -27  -13    6 o    9.858000      0.2928000       10.23000 0.4017000       9.481000      0.4260000      0.7543000      0.5855000
  1 1 1     -27  -13    7 o    4.705000      0.4878000       4.269000 0.7430000       5.140000      0.6324000     -0.8710000      0.9757000
  1 1 1     -27  -13    8 o    6.576000      0.3683000       6.436000 0.5345000       6.715000      0.5068000     -0.2787000      0.7365000
  1 1 1     -27  -13    9 o    3.009000      0.6489000       3.167000 0.9054000       2.851000      0.9298000      0.3156000       1.298000
  1 1 1     -27  -13   10 o    8.238000      0.3269000       8.501000 0.4450000       7.976000      0.4790000      0.5248000      0.6538000
  1 1 1     -27  -13   11 o    2.998000      0.7600000       2.643000 1.072000       3.353000       1.077000     -0.7093000       1.520000
  1 1 1     -27  -13   12 o    5.949000      0.4341000       5.564000 0.6370000       6.334000      0.5900000     -0.7704000      0.8683000
  1 1 1     -27  -13   13 o    11.15000      0.3099000       10.82000 0.4414000       11.48000      0.4350000     -0.6607000      0.6198000
  1 1 1     -27  -13   14 o    4.250000      0.8212000       3.773000 1.136000       4.728000       1.186000     -0.9552000       1.642000
  1 1 1     -27  -13   15 o    7.775000      0.3872000       7.920000 0.5335000       7.629000      0.5612000      0.2911000      0.7743000
  1 1 1     -27  -13   16 o    7.246000      0.4034000       7.617000 0.5512000       6.875000      0.5893000      0.7418000      0.8069000
  1 1 1     -27  -13   17 o    8.847000      0.3691000       8.757000 0.5183000       8.936000      0.5257000     -0.1789000      0.7383000
  1 1 1     -27  -13   18 o    3.556000      0.7142000       3.565000 0.9874000       3.547000       1.032000      0.1869000E-01   1.428000
  1 1 1     -27  -13   19 o    4.423000      0.6640000       4.894000 0.8540000       3.951000       1.017000      0.9426000       1.328000
  1 1 1     -27  -13   20 o    5.152000      0.5918000       5.821000 0.7281000       4.483000      0.9333000       1.338000       1.184000
  1 1 1     -27  -13   21 o    7.141000      0.4314000       6.616000 0.6313000       7.666000      0.5883000      -1.049000      0.8629000
  1 1 1     -27  -13   22 o    4.309000      0.6520000       4.768000 0.8482000       3.849000      0.9905000      0.9192000       1.304000
  1 1 1     -27  -13   23 o    3.322000      0.7228000       2.897000 1.046000       3.747000      0.9979000     -0.8505000       1.446000
  1 1 1     -27  -13   24 o    9.123000      0.3644000       9.401000 0.5252000       8.845000      0.5053000      0.5557000      0.7288000
  1 1 1     -27  -13   25 o    2.858000      0.7083000       3.191000 1.014000       2.524000      0.9891000      0.6673000       1.417000
  1 1 1     -27  -13   26 o    4.643000      0.5850000       4.582000 0.8329000       4.704000      0.8215000     -0.1221000       1.170000
  1 1 1     -27  -12    1 o    3.009000      0.5921000       3.330000 0.7932000       2.687000      0.8793000      0.6431000       1.184000
  1 1 1     -27  -12    2 o    17.70000      0.2980000       17.49000 0.4170000       17.91000      0.4258000     -0.4255000      0.5959000
  1 1 1     -27  -12    3 o    7.212000      0.3173000       6.881000 0.4429000       7.542000      0.4546000     -0.6610000      0.6347000
  1 1 1     -27  -12    4 o    2.454000      0.6197000       2.563000 0.8640000       2.345000      0.8886000      0.2185000       1.239000
  1 1 1     -27  -12    5 o    5.657000      0.5324000       5.657000 0.5324000                  ?              ?              ?              ?
  1 1 1     -27  -12    6 o    2.499000      0.6333000       2.639000 0.8956000       2.359000      0.8956000      0.2795000       1.267000
  1 1 1     -27  -12    7 o    6.206000      0.5246000                  ?       ?   6.206000      0.5246000                  ?              ?
  1 1 1     -27  -12    8 o    7.392000      0.3361000       7.477000 0.4694000       7.307000      0.4813000      0.1700000      0.6723000
  1 1 1     -27  -12    9 o    9.498000      0.3002000       9.454000 0.4223000       9.541000      0.4268000     -0.8752000E-01  0.6004000
  1 1 1     -27  -12   10 o    7.609000      0.3550000       8.096000 0.4767000       7.121000      0.5263000      0.9747000      0.7101000
  1 1 1     -27  -12   11 o    3.102000      0.7735000       3.437000 1.121000       2.768000       1.066000      0.6690000       1.547000
  1 1 1     -27  -12   12 o    6.883000      0.3759000       6.540000 0.5439000       7.226000      0.5189000     -0.6856000      0.7517000
  1 1 1     -27  -12   13 o    6.823000      0.3830000       7.033000 0.5351000       6.613000      0.5481000      0.4198000      0.7660000
  1 1 1     -27  -12   14 o    10.89000      0.4472000       10.91000 0.6101000       10.86000      0.6540000      0.4848000E-01  0.8944000
  1 1 1     -27  -12   15 o    8.939000      0.3509000       9.010000 0.4881000       8.868000      0.5042000      0.1426000      0.7018000
  1 1 1     -27  -12   16 o    4.037000      0.7836000       3.442000 0.9813000       4.631000       1.222000      -1.189000       1.567000
  1 1 1     -27  -12   17 o    3.250000      0.7253000       3.138000 1.021000       3.362000       1.030000     -0.2239000       1.451000
  1 1 1     -27  -12   18 o    7.290000      0.4266000       7.522000 0.5831000       7.057000      0.6229000      0.4647000      0.8532000
  1 1 1     -27  -12   19 o    6.928000      0.4307000       7.174000 0.5906000       6.683000      0.6271000      0.4910000      0.8614000
  1 1 1     -27  -12   20 o    6.981000      0.4380000       6.250000 0.6602000       7.713000      0.5757000      -1.463000      0.8760000
  1 1 1     -27  -12   21 o    2.984000      0.6592000       3.927000 0.9544000       2.041000      0.9096000       1.885000       1.318000
  1 1 1     -27  -12   22 o    5.199000      0.5552000       5.146000 0.7830000       5.253000      0.7872000     -0.1072000       1.110000
  1 1 1     -27  -12   23 o    3.361000      0.7276000       3.043000 1.046000       3.679000       1.012000     -0.6366000       1.455000
  1 1 1     -27  -12   24 o    6.737000      0.4410000       6.994000 0.6277000       6.481000      0.6196000      0.5129000      0.8820000
  1 1 1     -27  -12   25 o    2.240000      0.6733000       2.353000 0.9779000       2.127000      0.9257000      0.2256000       1.347000
  1 1 1     -27  -12   26 o    2.083000      0.6425000       2.264000 0.9509000       1.902000      0.8643000      0.3624000       1.285000
  1 1 1     -27  -11    1 o    4.231000      0.5156000       5.359000 0.5330000       3.102000      0.8827000       2.256000       1.031000
  1 1 1     -27  -11    2 o    5.185000      0.3933000       5.216000 0.5449000       5.153000      0.5673000      0.6327000E-01  0.7866000
  1 1 1     -27  -11    3 o    7.929000      0.3066000       7.563000 0.4322000       8.294000      0.4350000     -0.7311000      0.6132000
  1 1 1     -27  -11    4 o    3.506000      0.5621000       3.269000 0.8075000       3.743000      0.7821000     -0.4734000       1.124000
  1 1 1     -27  -11    5 o    8.165000      0.4344000       8.165000 0.4344000                  ?              ?              ?              ?
  1 1 1     -27  -11    6 o    15.62000      0.2890000       15.62000 0.4092000       15.62000      0.4083000      0.1614000E-02  0.5780000
  1 1 1     -27  -11    7 o    8.461000      0.4491000                  ?       ?   8.461000      0.4491000                  ?              ?
  1 1 1     -27  -11    8 o    13.10000      0.2824000       13.24000 0.4000000       12.96000      0.3988000      0.2836000      0.5648000
  1 1 1     -27  -11    9 o    8.264000      0.3274000       7.876000 0.4678000       8.652000      0.4582000     -0.7762000      0.6548000
  1 1 1     -27  -11   10 o    8.571000      0.3168000       8.453000 0.4455000       8.690000      0.4505000     -0.2365000      0.6336000
  1 1 1     -27  -11   11 o    4.603000      0.7285000       4.126000 1.105000       5.080000      0.9495000     -0.9541000       1.457000
  1 1 1     -27  -11   12 o    7.823000      0.4926000       8.033000 0.6971000       7.613000      0.6960000      0.4205000      0.9851000
  1 1 1     -27  -11   13 o    9.820000      0.3214000       9.443000 0.4576000       10.20000      0.4514000     -0.7558000      0.6428000
  1 1 1     -27  -11   14 o    10.80000      0.4475000       10.68000 0.6160000       10.93000      0.6493000     -0.2526000      0.8950000
  1 1 1     -27  -11   15 o    11.62000      0.3151000       11.53000 0.4478000       11.72000      0.4434000     -0.1909000      0.6302000
  1 1 1     -27  -11   16 o    5.532000      0.6429000       6.341000 0.6171000       4.723000       1.128000       1.618000       1.286000
  1 1 1     -27  -11   17 o    6.675000      0.4530000       7.167000 0.5834000       6.183000      0.6931000      0.9844000      0.9059000
  1 1 1     -27  -11   18 o    2.683000      0.7202000       2.372000 0.9739000       2.993000       1.061000     -0.6203000       1.440000
  1 1 1     -27  -11   19 o    10.82000      0.3434000       10.49000 0.4894000       11.15000      0.4819000     -0.6670000      0.6868000
  1 1 1     -27  -11   20 o    8.323000      0.3922000       7.934000 0.5701000       8.712000      0.5387000     -0.7781000      0.7843000
  1 1 1     -27  -11   21 o    3.708000      0.6916000       4.524000 0.9109000       2.892000       1.041000       1.632000       1.383000
  1 1 1     -27  -11   22 o    2.959000      0.7232000       3.125000 1.030000       2.793000       1.015000      0.3326000       1.446000
  1 1 1     -27  -11   23 o    3.104000      0.7008000       2.595000 0.9937000       3.614000      0.9885000      -1.018000       1.402000
  1 1 1     -27  -11   24 f    3.556000      0.7023000       3.465000 1.027000       3.648000      0.9581000     -0.1826000       1.405000
  1 1 1     -27  -11   25 o    2.842000      0.7045000       2.857000 1.008000       2.827000      0.9842000      0.2985000E-01   1.409000
  1 1 1     -27  -11   26 o    2.050000      0.6278000       2.464000 0.9810000       1.636000      0.7837000      0.8277000       1.256000
  1 1 1     -27  -10    1 o    2.659000      0.6095000       2.743000 0.8693000       2.576000      0.8546000      0.1672000       1.219000
  1 1 1     -27  -10    2 o    10.12000      0.2722000       10.25000 0.3811000       9.989000      0.3887000      0.2653000      0.5444000
  1 1 1     -27  -10    3 o    7.692000      0.2998000       7.673000 0.4211000       7.710000      0.4268000     -0.3646000E-01  0.5995000
  1 1 1     -27  -10    4 o    3.421000      0.5658000       3.747000 0.7373000       3.095000      0.8584000      0.6528000       1.132000
  1 1 1     -27  -10    5 o    3.396000      0.5755000       2.921000 0.8924000       3.872000      0.7269000     -0.9509000       1.151000
  1 1 1     -27  -10    6 o    4.394000      0.4891000       4.812000 0.6198000       3.977000      0.7569000      0.8354000      0.9783000
  1 1 1     -27  -10    7 o    7.861000      0.3146000       8.278000 0.4236000       7.444000      0.4652000      0.8338000      0.6292000
  1 1 1     -27  -10    8 o    8.078000      0.3185000       8.153000 0.4444000       8.002000      0.4563000      0.1503000      0.6370000
  1 1 1     -27  -10    9 f    3.945000      0.5667000       3.567000 0.8505000       4.323000      0.7492000     -0.7561000       1.133000
  1 1 1     -27  -10   10 o    3.392000      0.6356000       3.425000 0.8962000       3.359000      0.9015000      0.6623000E-01   1.271000
  1 1 1     -27  -10   11 o    13.15000      0.4148000       13.02000 0.5956000       13.27000      0.5774000     -0.2518000      0.8295000
  1 1 1     -27  -10   12 o    11.87000      0.3569000       11.53000 0.4123000       12.22000      0.5826000     -0.6960000      0.7138000
  1 1 1     -27  -10   13 o    9.781000      0.3211000       9.753000 0.4654000       9.809000      0.4426000     -0.5619000E-01  0.6423000
  1 1 1     -27  -10   14 o    7.784000      0.5165000       7.367000 0.7574000       8.202000      0.7023000     -0.8351000       1.033000
  1 1 1     -27  -10   15 o    17.53000      0.3244000       17.49000 0.4576000       17.58000      0.4600000     -0.9223000E-01  0.6488000
  1 1 1     -27  -10   16 o    8.231000      0.3609000       8.154000 0.5131000       8.309000      0.5076000     -0.1547000      0.7217000
  1 1 1     -27  -10   17 o    8.969000      0.3540000       8.562000 0.5158000       9.377000      0.4850000     -0.8156000      0.7080000
  1 1 1     -27  -10   18 o    9.578000      0.3487000       9.330000 0.4945000       9.827000      0.4919000     -0.4970000      0.6975000
  1 1 1     -27  -10   19 o    9.021000      0.4704000       9.290000 0.5017000       8.753000      0.7959000      0.5372000      0.9408000
  1 1 1     -27  -10   20 o    2.668000      0.7040000       3.047000 1.031000       2.288000      0.9585000      0.7585000       1.408000
  1 1 1     -27  -10   21 o    10.36000      0.3453000       9.652000 0.5098000       11.06000      0.4659000      -1.409000      0.6906000
  1 1 1     -27  -10   22 o    4.062000      0.6611000       3.765000 0.9805000       4.359000      0.8869000     -0.5942000       1.322000
  1 1 1     -27  -10   23 o    3.811000      0.6784000       3.948000 0.9507000       3.673000      0.9680000      0.2755000       1.357000
  1 1 1     -27  -10   24 o    3.240000      0.6802000       2.503000 0.9851000       3.977000      0.9382000      -1.474000       1.360000
  1 1 1     -27  -10   25 f    2.601000      0.6949000       2.550000 0.9866000       2.653000      0.9790000     -0.1031000       1.390000
  1 1 1     -27  -10   26 o    2.090000      0.6371000       2.105000 0.9075000       2.076000      0.8945000      0.2933000E-01   1.274000
  1 1 1     -27   -9    1 o    6.093000      0.3376000       6.580000 0.4432000       5.606000      0.5095000      0.9735000      0.6753000
  1 1 1     -27   -9    2 o    5.621000      0.3630000       6.084000 0.4835000       5.157000      0.5415000      0.9272000      0.7259000
  1 1 1     -27   -9    3 o    6.713000      0.3286000       6.608000 0.4745000       6.819000      0.4548000     -0.2111000      0.6572000
  1 1 1     -27   -9    4 o    10.70000      0.2703000       10.57000 0.3757000       10.83000      0.3886000     -0.2658000      0.5406000
  1 1 1     -27   -9    5 o    7.422000      0.3176000       7.045000 0.4622000       7.799000      0.4356000     -0.7539000      0.6351000
  1 1 1     -27   -9    6 o    8.693000      0.2962000       9.088000 0.4102000       8.298000      0.4274000      0.7891000      0.5924000
  1 1 1     -27   -9    7 o    6.959000      0.3364000       6.454000 0.5041000       7.464000      0.4456000      -1.010000      0.6728000
  1 1 1     -27   -9    8 o    2.193000      0.6080000       2.115000 0.8437000       2.270000      0.8756000     -0.1547000       1.216000
  1 1 1     -27   -9    9 o    4.453000      0.4863000       4.747000 0.6513000       4.159000      0.7222000      0.5872000      0.9725000
  1 1 1     -27   -9   10 o    5.432000      0.4231000       5.322000 0.6185000       5.542000      0.5775000     -0.2192000      0.8462000
  1 1 1     -27   -9   11 o    13.95000      0.4063000       13.67000 0.5735000       14.24000      0.5758000     -0.5697000      0.8127000
  1 1 1     -27   -9   12 o    10.08000      0.3152000       9.789000 0.4491000       10.37000      0.4424000     -0.5773000      0.6304000
  1 1 1     -27   -9   13 o    9.236000      0.3262000       9.484000 0.4676000       8.987000      0.4548000      0.4969000      0.6523000
  1 1 1     -27   -9   14 o    15.79000      0.4442000       15.56000 0.6184000       16.02000      0.6378000     -0.4614000      0.8884000
  1 1 1     -27   -9   15 o    10.95000      0.3144000       10.64000 0.4541000       11.25000      0.4351000     -0.6102000      0.6289000
  1 1 1     -27   -9   16 o    11.98000      0.3161000       11.74000 0.4492000       12.22000      0.4450000     -0.4872000      0.6323000
  1 1 1     -27   -9   17 o    11.91000      0.3184000       12.47000 0.4453000       11.35000      0.4552000       1.118000      0.6368000
  1 1 1     -27   -9   18 o    10.23000      0.3374000       10.08000 0.4785000       10.37000      0.4759000     -0.2866000      0.6748000
  1 1 1     -27   -9   19 o    2.607000      0.6910000       2.243000 0.9322000       2.972000       1.020000     -0.7288000       1.382000
  1 1 1     -27   -9   20 f    7.475000      0.4113000       6.676000 0.6277000       8.273000      0.5317000      -1.597000      0.8226000
  1 1 1     -27   -9   21 f    9.971000      0.3421000       9.616000 0.4903000       10.33000      0.4771000     -0.7105000      0.6841000
  1 1 1     -27   -9   22 o    5.269000      0.5266000       5.714000 0.6832000       4.823000      0.8016000      0.8912000       1.053000
  1 1 1     -27   -9   23 o    3.512000      0.6763000       2.971000 1.009000       4.052000      0.9008000      -1.080000       1.353000
  1 1 1     -27   -9   24 o    8.148000      0.3867000       8.738000 0.5304000       7.558000      0.5629000       1.179000      0.7734000
  1 1 1     -27   -9   25 o    2.546000      0.6791000       2.832000 0.9874000       2.261000      0.9327000      0.5702000       1.358000
  1 1 1     -27   -9   26 o    3.643000       1.061000                  ?       ?   3.643000       1.061000                  ?              ?
  1 1 1     -27   -8    1 o    6.557000      0.3105000       6.304000 0.4488000       6.810000      0.4293000     -0.5068000      0.6211000
  1 1 1     -27   -8    2 o    11.80000      0.2630000       12.10000 0.3732000       11.50000      0.3708000      0.5997000      0.5260000
  1 1 1     -27   -8    3 o    16.47000      0.2855000       16.62000 0.4053000       16.32000      0.4022000      0.3044000      0.5710000
  1 1 1     -27   -8    4 o    12.08000      0.2671000       12.02000 0.3744000       12.14000      0.3809000     -0.1225000      0.5341000
  1 1 1     -27   -8    5 o    11.44000      0.2720000       11.53000 0.3799000       11.34000      0.3894000      0.1912000      0.5440000
  1 1 1     -27   -8    6 o    5.518000      0.3765000       5.620000 0.5306000       5.416000      0.5344000      0.2039000      0.7530000
  1 1 1     -27   -8    7 o    11.47000      0.2782000       11.26000 0.3969000       11.68000      0.3900000     -0.4195000      0.5565000
  1 1 1     -27   -8    8 o    7.244000      0.3193000       6.459000 0.4567000       8.028000      0.4465000      -1.569000      0.6387000
  1 1 1     -27   -8    9 o    7.944000      0.3200000       7.974000 0.4457000       7.914000      0.4594000      0.5992000E-01  0.6401000
  1 1 1     -27   -8   10 o    14.47000      0.2923000       14.84000 0.4137000       14.10000      0.4130000      0.7410000      0.5846000
  1 1 1     -27   -8   11 o    13.73000      0.4027000       13.00000 0.5755000       14.47000      0.5634000      -1.464000      0.8054000
  1 1 1     -27   -8   12 o    9.621000      0.3077000       9.784000 0.4372000       9.459000      0.4331000      0.3250000      0.6154000
  1 1 1     -27   -8   13 o    14.14000      0.2979000       14.26000 0.4243000       14.03000      0.4184000      0.2285000      0.5959000
  1 1 1     -27   -8   14 o    12.21000      0.4293000       12.35000 0.6012000       12.07000      0.6129000      0.2831000      0.8585000
  1 1 1     -27   -8   15 o    14.83000      0.3117000       15.15000 0.4411000       14.52000      0.4406000      0.6344000      0.6235000
  1 1 1     -27   -8   16 o    5.950000      0.4544000       5.835000 0.6212000       6.065000      0.6635000     -0.2299000      0.9089000
  1 1 1     -27   -8   17 o    10.53000      0.3378000       10.66000 0.4645000       10.40000      0.4906000      0.2650000      0.6756000
  1 1 1     -27   -8   18 o    4.007000      0.6242000       3.549000 0.9490000       4.466000      0.8111000     -0.9177000       1.248000
  1 1 1     -27   -8   19 o    6.734000      0.4141000       6.985000 0.5676000       6.484000      0.6031000      0.5002000      0.8282000
  1 1 1     -27   -8   20 f    9.043000      0.3446000       9.094000 0.4935000       8.993000      0.4812000      0.1006000      0.6893000
  1 1 1     -27   -8   21 o    6.439000      0.4299000       5.904000 0.6491000       6.973000      0.5638000      -1.069000      0.8597000
  1 1 1     -27   -8   22 o    3.326000      0.6923000       3.235000 0.9882000       3.417000      0.9699000     -0.1824000       1.385000
  1 1 1     -27   -8   23 o    2.548000      0.6834000       2.909000 1.011000       2.186000      0.9199000      0.7229000       1.367000
  1 1 1     -27   -8   24 f    4.390000      0.6036000       4.562000 0.8621000       4.217000      0.8451000      0.3449000       1.207000
  1 1 1     -27   -8   25 o    4.551000      0.5921000       4.852000 0.7873000       4.249000      0.8846000      0.6036000       1.184000
  1 1 1     -27   -7    1 o    13.03000      0.2624000       13.10000 0.3682000       12.95000      0.3740000      0.1458000      0.5248000
  1 1 1     -27   -7    2 o    11.26000      0.2619000       11.17000 0.3734000       11.35000      0.3673000     -0.1759000      0.5238000
  1 1 1     -27   -7    3 o    11.25000      0.2642000       11.35000 0.3780000       11.15000      0.3693000      0.2048000      0.5285000
  1 1 1     -27   -7    4 o    6.526000      0.3245000       6.912000 0.4418000       6.140000      0.4755000      0.7718000      0.6491000
  1 1 1     -27   -7    5 o    6.513000      0.3308000       6.452000 0.4735000       6.574000      0.4622000     -0.1224000      0.6617000
  1 1 1     -27   -7    6 o    10.54000      0.3978000       10.54000 0.3978000                  ?              ?              ?              ?
  1 1 1     -27   -7    7 o    5.414000      0.3937000       5.575000 0.5498000       5.253000      0.5637000      0.3216000      0.7874000
  1 1 1     -27   -7    8 o    7.353000      0.4514000                  ?       ?   7.353000      0.4514000                  ?              ?
  1 1 1     -27   -7    9 o    5.375000      0.4076000       5.557000 0.5674000       5.193000      0.5852000      0.3635000      0.8151000
  1 1 1     -27   -7   10 o    12.66000      0.2841000       12.92000 0.4013000       12.41000      0.4024000      0.5091000      0.5683000
  1 1 1     -27   -7   11 o    2.642000      0.7095000       2.968000 1.035000       2.315000      0.9705000      0.6526000       1.419000
  1 1 1     -27   -7   12 o    4.101000      0.5242000       3.542000 0.8178000       4.661000      0.6561000      -1.119000       1.048000
  1 1 1     -27   -7   13 o    9.320000      0.3043000       9.193000 0.4301000       9.447000      0.4305000     -0.2532000      0.6085000
  1 1 1     -27   -7   14 o    4.800000      0.7514000       5.323000 0.9077000       4.277000       1.198000       1.046000       1.503000
  1 1 1     -27   -7   15 o    4.070000      0.5803000       2.770000 0.9599000       5.371000      0.6525000      -2.601000       1.161000
  1 1 1     -27   -7   16 o    7.871000      0.3549000       7.963000 0.4988000       7.778000      0.5049000      0.1851000      0.7097000
  1 1 1     -27   -7   17 o    9.715000      0.3305000       10.17000 0.4608000       9.261000      0.4739000      0.9073000      0.6610000
  1 1 1     -27   -7   18 o    10.11000      0.3295000       10.47000 0.4570000       9.757000      0.4748000      0.7089000      0.6590000
  1 1 1     -27   -7   19 o    5.472000      0.4825000       5.362000 0.6774000       5.582000      0.6871000     -0.2197000      0.9649000
  1 1 1     -27   -7   20 o    3.762000      0.6404000       4.377000 0.8205000       3.147000      0.9834000       1.231000       1.281000
  1 1 1     -27   -7   21 o    5.821000      0.4611000       6.119000 0.6244000       5.524000      0.6785000      0.5950000      0.9221000
  1 1 1     -27   -7   22 o    4.084000      0.6270000       3.857000 0.9424000       4.310000      0.8273000     -0.4536000       1.254000
  1 1 1     -27   -7   23 o    3.102000      0.5914000       1.947000 0.8649000       4.257000      0.8069000      -2.311000       1.183000
  1 1 1     -27   -7   24 o    5.062000      0.5460000       4.967000 0.7990000       5.157000      0.7443000     -0.1897000       1.092000
  1 1 1     -27   -7   25 o    3.082000      0.6830000       2.910000 0.9846000       3.254000      0.9469000     -0.3436000       1.366000
  1 1 1     -27   -6    1 o    14.09000      0.2686000       14.30000 0.3804000       13.87000      0.3794000      0.4266000      0.5373000
  1 1 1     -27   -6    2 o    7.289000      0.2896000       7.028000 0.4206000       7.550000      0.3982000     -0.5223000      0.5792000
  1 1 1     -27   -6    3 o    4.732000      0.4023000       4.564000 0.5796000       4.900000      0.5582000     -0.3367000      0.8047000
  1 1 1     -27   -6    4 o    7.544000      0.2954000       7.559000 0.4148000       7.529000      0.4207000      0.3024000E-01  0.5908000
  1 1 1     -27   -6    5 o    4.583000      0.4356000       4.694000 0.6103000       4.473000      0.6218000      0.2207000      0.8713000
  1 1 1     -27   -6    6 o    3.046000      0.8645000       3.046000 0.8645000                  ?              ?              ?              ?
  1 1 1     -27   -6    7 o    2.448000      0.6057000       2.562000 0.8632000       2.334000      0.8500000      0.2284000       1.211000
  1 1 1     -27   -6    8 o    2.370000      0.6270000       2.544000 0.9212000       2.196000      0.8507000      0.3479000       1.254000
  1 1 1     -27   -6    9 o    1.936000      0.5750000       2.083000 0.8407000       1.788000      0.7847000      0.2956000       1.150000
  1 1 1     -27   -6   10 o    4.507000      0.6323000       4.859000 0.8651000       4.155000      0.9223000      0.7035000       1.265000
  1 1 1     -27   -6   11 o    6.881000      0.4843000       6.664000 0.7278000       7.097000      0.6390000     -0.4332000      0.9685000
  1 1 1     -27   -6   12 o    11.69000      0.2951000       11.25000 0.4194000       12.14000      0.4153000     -0.8918000      0.5902000
  1 1 1     -27   -6   13 o    2.341000      0.7237000       2.483000 1.036000       2.199000       1.010000      0.2841000       1.447000
  1 1 1     -27   -6   14 o    2.884000      0.7631000       2.405000 1.023000       3.362000       1.132000     -0.9564000       1.526000
  1 1 1     -27   -6   15 o    9.906000      0.3171000       9.772000 0.4488000       10.04000      0.4481000     -0.2695000      0.6342000
  1 1 1     -27   -6   16 o    6.318000      0.4176000       6.477000 0.5743000       6.159000      0.6063000      0.3182000      0.8351000
  1 1 1     -27   -6   17 o    6.860000      0.4117000       6.237000 0.6274000       7.484000      0.5333000      -1.246000      0.8234000
  1 1 1     -27   -6   18 f    10.17000      0.3266000       10.43000 0.4598000       9.906000      0.4639000      0.5288000      0.6532000
  1 1 1     -27   -6   19 o    2.693000      0.6919000       2.540000 0.9606000       2.847000      0.9961000     -0.3069000       1.384000
  1 1 1     -27   -6   20 f    7.249000      0.3683000       7.348000 0.5079000       7.151000      0.5334000      0.1968000      0.7365000
  1 1 1     -27   -6   21 o    3.166000      0.6736000       2.798000 0.9818000       3.533000      0.9225000     -0.7348000       1.347000
  1 1 1     -27   -6   22 o    2.455000      0.6747000       2.039000 0.8994000       2.871000       1.006000     -0.8314000       1.349000
  1 1 1     -27   -6   23 o    3.953000      0.6329000       4.095000 0.8661000       3.811000      0.9232000      0.2839000       1.266000
  1 1 1     -27   -6   24 o    2.265000      0.6477000       2.352000 0.9277000       2.177000      0.9042000      0.1754000       1.295000
  1 1 1     -27   -6   25 o    2.290000      0.6453000       1.853000 0.8388000       2.728000      0.9809000     -0.8750000       1.291000
  1 1 1     -27   -5    1 o    5.771000      0.3295000       5.846000 0.4590000       5.696000      0.4730000      0.1502000      0.6591000
  1 1 1     -27   -5    2 o    7.538000      0.2898000       7.767000 0.4023000       7.309000      0.4173000      0.4588000      0.5797000
  1 1 1     -27   -5    3 o    8.680000      0.2774000       9.076000 0.3891000       8.284000      0.3955000      0.7919000      0.5548000
  1 1 1     -27   -5    4 o    4.546000      0.4176000       4.505000 0.5945000       4.587000      0.5868000     -0.8160000E-01  0.8353000
  1 1 1     -27   -5    5 o    6.392000      0.3334000       6.447000 0.4666000       6.337000      0.4764000      0.1093000      0.6668000
  1 1 1     -27   -5    6 o    6.250000      0.3497000       6.940000 0.4492000       5.560000      0.5362000       1.380000      0.6995000
  1 1 1     -27   -5    7 o    3.570000      0.5467000       2.850000 0.8821000       4.290000      0.6460000      -1.440000       1.093000
  1 1 1     -27   -5    8 o    4.394000      0.4784000       4.476000 0.6776000       4.311000      0.6755000      0.1643000      0.9568000
  1 1 1     -27   -5    9 o    7.925000      0.3159000       8.201000 0.4358000       7.650000      0.4573000      0.5516000      0.6317000
  1 1 1     -27   -5   10 f    2.994000      0.7011000       2.362000 0.9810000       3.626000       1.002000      -1.264000       1.402000
  1 1 1     -27   -5   11 o    8.947000      0.3157000       8.905000 0.4508000       8.989000      0.4420000     -0.8396000E-01  0.6313000
  1 1 1     -27   -5   12 o    10.48000      0.2937000       10.27000 0.4149000       10.68000      0.4157000     -0.4082000      0.5873000
  1 1 1     -27   -5   13 o    5.091000      0.6873000       5.615000 0.8645000       4.566000       1.069000       1.050000       1.375000
  1 1 1     -27   -5   14 o    4.672000      0.5485000       5.938000 0.5662000       3.406000      0.9397000       2.532000       1.097000
  1 1 1     -27   -5   15 o    7.257000      0.3687000       7.381000 0.5269000       7.134000      0.5159000      0.2470000      0.7374000
  1 1 1     -27   -5   16 o    5.179000      0.5088000       5.027000 0.7202000       5.331000      0.7187000     -0.3043000       1.018000
  1 1 1     -27   -5   17 o    5.844000      0.4258000       6.218000 0.5807000       5.470000      0.6230000      0.7482000      0.8517000
  1 1 1     -27   -5   18 o    7.365000      0.3562000       7.582000 0.4859000       7.148000      0.5211000      0.4340000      0.7125000
  1 1 1     -27   -5   19 o    3.727000      0.6427000       3.403000 0.9532000       4.051000      0.8623000     -0.6485000       1.285000
  1 1 1     -27   -5   20 o    5.540000      0.4897000       5.646000 0.6843000       5.434000      0.7007000      0.2119000      0.9794000
  1 1 1     -27   -5   21 o    1.743000      0.5608000       1.461000 0.7090000       2.024000      0.8692000     -0.5631000       1.122000
  1 1 1     -27   -5   22 o    1.977000      0.6024000       2.099000 0.8810000       1.856000      0.8218000      0.2436000       1.205000
  1 1 1     -27   -5   23 o    3.658000      0.6472000       3.909000 0.8798000       3.407000      0.9494000      0.5015000       1.294000
  1 1 1     -27   -5   24 o    4.061000      0.6071000       2.762000 1.000000       5.360000      0.6882000      -2.598000       1.214000
  1 1 1     -27   -5   25 o    2.195000      0.6230000       2.576000 0.9312000       1.814000      0.8278000      0.7626000       1.246000
  1 1 1     -27   -4    1 o    6.055000      0.3176000       6.451000 0.4278000       5.660000      0.4696000      0.7910000      0.6352000
  1 1 1     -27   -4    2 o    7.612000      0.2870000       7.688000 0.4026000       7.535000      0.4091000      0.1528000      0.5740000
  1 1 1     -27   -4    3 o    12.23000      0.2651000       12.15000 0.3758000       12.30000      0.3742000     -0.1516000      0.5303000
  1 1 1     -27   -4    4 o    2.657000      0.5854000       2.875000 0.8303000       2.438000      0.8255000      0.4372000       1.171000
  1 1 1     -27   -4    5 o    16.34000      0.2905000       16.40000 0.4099000       16.28000      0.4119000      0.1199000      0.5811000
  1 1 1     -27   -4    6 o    7.816000      0.3059000       8.000000 0.4158000       7.631000      0.4488000      0.3694000      0.6118000
  1 1 1     -27   -4    7 o    5.700000      0.4002000       6.179000 0.5182000       5.222000      0.6100000      0.9574000      0.8004000
  1 1 1     -27   -4    8 o    1.782000      0.5522000       1.740000 0.7724000       1.825000      0.7893000     -0.8526000E-01   1.104000
  1 1 1     -27   -4    9 o    7.687000      0.3268000       7.164000 0.4895000       8.210000      0.4330000      -1.045000      0.6535000
  1 1 1     -27   -4   10 o    8.273000      0.4069000       8.675000 0.5769000       7.871000      0.5738000      0.8036000      0.8137000
  1 1 1     -27   -4   11 o    8.361000      0.3120000       8.674000 0.4270000       8.048000      0.4550000      0.6251000      0.6240000
  1 1 1     -27   -4   12 o    2.473000      0.6735000       3.391000 1.113000       1.555000      0.7584000       1.836000       1.347000
  1 1 1     -27   -4   13 o    7.244000      0.5281000       7.126000 0.7427000       7.362000      0.7508000     -0.2359000       1.056000
  1 1 1     -27   -4   14 o    8.178000      0.3418000       8.582000 0.4647000       7.774000      0.5014000      0.8088000      0.6836000
  1 1 1     -27   -4   15 o    2.447000      0.6560000       2.220000 0.9012000       2.675000      0.9534000     -0.4551000       1.312000
  1 1 1     -27   -4   16 o    7.416000      0.3646000       7.144000 0.5384000       7.688000      0.4918000     -0.5437000      0.7292000
  1 1 1     -27   -4   17 f    6.627000      0.3909000       6.521000 0.5530000       6.732000      0.5526000     -0.2111000      0.7818000
  1 1 1     -27   -4   18 o    3.674000      0.6210000       3.930000 0.8652000       3.418000      0.8910000      0.5119000       1.242000
  1 1 1     -27   -4   19 o    2.381000      0.6409000       2.711000 0.9449000       2.051000      0.8661000      0.6597000       1.282000
  1 1 1     -27   -4   20 o    4.372000      0.5579000       5.015000 0.6827000       3.729000      0.8827000       1.286000       1.116000
  1 1 1     -27   -4   21 o    1.937000      0.5986000       1.535000 0.7383000       2.339000      0.9426000     -0.8039000       1.197000
  1 1 1     -27   -4   22 o    3.035000      0.6848000       2.901000 0.9763000       3.170000      0.9605000     -0.2683000       1.370000
  1 1 1     -27   -4   23 o    2.024000      0.5988000       1.565000 0.7449000       2.483000      0.9377000     -0.9187000       1.198000
  1 1 1     -27   -4   24 o    4.325000      0.5420000       4.386000 0.7730000       4.264000      0.7598000      0.1215000       1.084000
  1 1 1     -27   -3    1 o    11.31000      0.2547000       11.19000 0.3561000       11.42000      0.3643000     -0.2268000      0.5094000
  1 1 1     -27   -3    2 o    15.63000      0.2758000       15.77000 0.3923000       15.50000      0.3878000      0.2712000      0.5516000
  1 1 1     -27   -3    3 o    9.256000      0.2620000       9.583000 0.3725000       8.929000      0.3684000      0.6544000      0.5240000
  1 1 1     -27   -3    4 o    2.152000      0.5618000       1.931000 0.7754000       2.372000      0.8132000     -0.4411000       1.124000
  1 1 1     -27   -3    5 o    11.19000      0.2633000       10.91000 0.3695000       11.47000      0.3752000     -0.5674000      0.5266000
  1 1 1     -27   -3    6 o    5.010000      0.3933000       5.116000 0.5442000       4.905000      0.5680000      0.2103000      0.7866000
  1 1 1     -27   -3    7 o    9.100000      0.4085000       9.100000 0.4085000                  ?              ?              ?              ?
  1 1 1     -27   -3    8 o    8.851000      0.2902000       9.018000 0.4108000       8.685000      0.4099000      0.3325000      0.5803000
  1 1 1     -27   -3    9 o    4.017000      0.9384000                  ?       ?   4.017000      0.9384000                  ?              ?
  1 1 1     -27   -3   10 o    9.513000      0.3018000       9.621000 0.4269000       9.404000      0.4266000      0.2170000      0.6035000
  1 1 1     -27   -3   11 o    4.317000      0.5214000       4.544000 0.6923000       4.091000      0.7798000      0.4526000       1.043000
  1 1 1     -27   -3   12 o    5.403000      0.6475000       4.584000 1.022000       6.222000      0.7952000      -1.637000       1.295000
  1 1 1     -27   -3   13 o    3.409000      0.6187000       2.952000 0.9190000       3.866000      0.8285000     -0.9139000       1.237000
  1 1 1     -27   -3   14 o    3.138000      0.6180000       2.235000 0.9157000       4.042000      0.8303000      -1.807000       1.236000
  1 1 1     -27   -3   15 o    6.414000      0.4069000       6.609000 0.5647000       6.219000      0.5861000      0.3897000      0.8139000
  1 1 1     -27   -3   16 o    3.718000      0.6155000       3.975000 0.8358000       3.461000      0.9038000      0.5134000       1.231000
  1 1 1     -27   -3   17 o    3.297000      0.6541000       2.730000 0.9583000       3.863000      0.8904000      -1.134000       1.308000
  1 1 1     -27   -3   18 o    6.245000      0.4126000       6.330000 0.5848000       6.160000      0.5821000      0.1704000      0.8251000
  1 1 1     -27   -3   19 o    6.104000      0.4304000       6.002000 0.6143000       6.207000      0.6029000     -0.2049000      0.8608000
  1 1 1     -27   -3   20 o    2.470000      0.6251000       3.154000 0.9475000       1.786000      0.8157000       1.369000       1.250000
  1 1 1     -27   -3   21 o    2.859000      0.6166000       3.676000 0.8866000       2.041000      0.8572000       1.635000       1.233000
  1 1 1     -27   -3   22 o    3.050000      0.6624000       3.385000 0.9336000       2.714000      0.9398000      0.6710000       1.325000
  1 1 1     -27   -3   23 o    2.205000      0.5849000       1.552000 0.7404000       2.858000      0.9057000      -1.307000       1.170000
  1 1 1     -27   -3   24 o    1.935000      0.6036000       1.699000 0.7947000       2.172000      0.9086000     -0.4734000       1.207000
  1 1 1     -27   -2    1 o    12.84000      0.2580000       13.03000 0.3642000       12.66000      0.3654000      0.3733000      0.5159000
  1 1 1     -27   -2    2 o    4.736000      0.3864000       4.249000 0.5970000       5.223000      0.4907000     -0.9740000      0.7728000
  1 1 1     -27   -2    3 o    8.832000      0.2672000       8.950000 0.3818000       8.714000      0.3738000      0.2363000      0.5343000
  1 1 1     -27   -2    4 o    11.18000      0.2644000       11.23000 0.3675000       11.12000      0.3804000      0.1084000      0.5289000
  1 1 1     -27   -2    5 o    11.07000      0.2642000       11.17000 0.3649000       10.97000      0.3822000      0.1970000      0.5284000
  1 1 1     -27   -2    6 o    2.341000      0.5959000       2.178000 0.8278000       2.504000      0.8575000     -0.3260000       1.192000
  1 1 1     -27   -2    7 o    5.883000      0.4881000       5.883000 0.4881000                  ?              ?              ?              ?
  1 1 1     -27   -2    8 o    5.308000      0.3534000       5.064000 0.4648000       5.552000      0.5326000     -0.4877000      0.7069000
  1 1 1     -27   -2    9 o    4.321000      0.7971000                  ?       ?   4.321000      0.7971000                  ?              ?
  1 1 1     -27   -2   10 o    10.53000      0.2881000       10.49000 0.4059000       10.57000      0.4091000     -0.8392000E-01  0.5763000
  1 1 1     -27   -2   11 o    11.95000      0.4335000       12.45000 0.5903000       11.44000      0.6349000       1.011000      0.8669000
  1 1 1     -27   -2   12 o    5.072000      0.6987000       4.222000 1.127000       5.923000      0.8256000      -1.701000       1.397000
  1 1 1     -27   -2   13 o    4.882000      0.4753000       4.106000 0.7599000       5.658000      0.5710000      -1.552000      0.9505000
  1 1 1     -27   -2   14 o    2.979000      0.6207000       3.479000 0.8115000       2.480000      0.9395000      0.9991000       1.241000
  1 1 1     -27   -2   15 o    5.095000      0.4650000       5.250000 0.6597000       4.939000      0.6554000      0.3113000      0.9300000
  1 1 1     -27   -2   16 o    7.581000      0.3556000       7.890000 0.4935000       7.271000      0.5122000      0.6192000      0.7113000
  1 1 1     -27   -2   17 o    5.571000      0.4409000       5.042000 0.6495000       6.101000      0.5964000      -1.059000      0.8818000
  1 1 1     -27   -2   18 o    8.614000      0.3456000       8.619000 0.4843000       8.608000      0.4932000      0.1190000E-01  0.6913000
  1 1 1     -27   -2   19 o    8.750000      0.3380000       9.272000 0.4672000       8.228000      0.4887000       1.044000      0.6761000
  1 1 1     -27   -2   20 o    3.970000      0.6258000       3.820000 0.9127000       4.119000      0.8564000     -0.2984000       1.252000
  1 1 1     -27   -2   21 o    2.235000      0.6337000       2.620000 0.9549000       1.849000      0.8335000      0.7711000       1.267000
  1 1 1     -27   -2   22 o    2.373000      0.6621000       2.305000 0.9326000       2.441000      0.9399000     -0.1355000       1.324000
  1 1 1     -27   -2   23 o    4.955000      0.5178000       4.782000 0.7805000       5.127000      0.6805000     -0.3459000       1.036000
  1 1 1     -27   -1    1 o    3.421000      0.4878000       3.419000 0.6906000       3.424000      0.6891000     -0.4546000E-02  0.9756000
  1 1 1     -27   -1    2 o    11.87000      0.2554000       11.70000 0.3603000       12.03000      0.3622000     -0.3312000      0.5108000
  1 1 1     -27   -1    3 o    6.203000      0.3049000       6.240000 0.4382000       6.167000      0.4242000      0.7341000E-01  0.6099000
  1 1 1     -27   -1    4 o    14.92000      0.2732000       14.84000 0.3858000       15.00000      0.3870000     -0.1603000      0.5465000
  1 1 1     -27   -1    5 o    11.85000      0.2637000       11.57000 0.3763000       12.13000      0.3695000     -0.5549000      0.5274000
  1 1 1     -27   -1    6 o    6.851000      0.3135000       6.463000 0.4552000       7.239000      0.4311000     -0.7757000      0.6269000
  1 1 1     -27   -1    7 o    7.267000      0.3271000       7.529000 0.4442000       7.004000      0.4803000      0.5253000      0.6543000
  1 1 1     -27   -1    8 o    4.744000      0.5559000       5.083000 0.7313000       4.405000      0.8375000      0.6784000       1.112000
  1 1 1     -27   -1    9 o    2.832000      0.6285000       2.698000 0.8973000       2.967000      0.8803000     -0.2690000       1.257000
  1 1 1     -27   -1   10 o    5.503000      0.3894000       5.545000 0.5487000       5.462000      0.5525000      0.8338000E-01  0.7787000
  1 1 1     -27   -1   11 o    7.244000      0.4750000       7.282000 0.6432000       7.206000      0.6991000      0.7559000E-01  0.9499000
  1 1 1     -27   -1   12 o    5.669000      0.4327000       5.320000 0.6490000       6.017000      0.5726000     -0.6962000      0.8655000
  1 1 1     -27   -1   13 o    6.239000      0.3737000       5.853000 0.5434000       6.626000      0.5132000     -0.7729000      0.7474000
  1 1 1     -27   -1   14 o    3.214000      0.5389000       1.812000 0.8140000       4.616000      0.7065000      -2.803000       1.078000
  1 1 1     -27   -1   15 o    2.520000      0.6640000       2.737000 0.9650000       2.303000      0.9122000      0.4342000       1.328000
  1 1 1     -27   -1   16 o    4.984000      0.5031000       4.956000 0.7142000       5.012000      0.7088000     -0.5601000E-01   1.006000
  1 1 1     -27   -1   17 f    3.485000      0.6612000       2.846000 0.9824000       4.125000      0.8852000      -1.279000       1.322000
  1 1 1     -27   -1   18 o    6.904000      0.3758000       6.401000 0.5723000       7.408000      0.4872000      -1.007000      0.7516000
  1 1 1     -27   -1   19 o    5.436000      0.4365000       5.813000 0.6011000       5.059000      0.6331000      0.7543000      0.8730000
  1 1 1     -27   -1   20 o    4.594000      0.4849000       4.336000 0.7286000       4.852000      0.6402000     -0.5152000      0.9699000
  1 1 1     -27   -1   21 o    2.304000      0.6328000       2.028000 0.8628000       2.580000      0.9261000     -0.5516000       1.266000
  1 1 1     -27   -1   22 o    3.596000      0.5958000       3.681000 0.8472000       3.511000      0.8380000      0.1704000       1.192000
  1 1 1     -27   -1   23 o    4.071000      0.5829000       2.895000 0.9742000       5.247000      0.6402000      -2.351000       1.166000
  1 1 1     -27    0    1 o    4.525000      0.3712000       4.492000 0.5263000       4.559000      0.5235000     -0.6656000E-01  0.7423000
  1 1 1     -27    0    2 o    5.335000      0.3443000       5.509000 0.4718000       5.162000      0.5015000      0.3465000      0.6886000
  1 1 1     -27    0    3 o    9.303000      0.2663000       8.954000 0.3859000       9.652000      0.3670000     -0.6981000      0.5326000
  1 1 1     -27    0    4 o    10.61000      0.2611000       10.40000 0.3739000       10.81000      0.3644000     -0.4138000      0.5221000
  1 1 1     -27    0    5 o    8.878000      0.2788000       9.129000 0.3922000       8.628000      0.3963000      0.5009000      0.5575000
  1 1 1     -27    0    6 o    2.662000      0.5979000       2.736000 0.8516000       2.589000      0.8394000      0.1461000       1.196000
  1 1 1     -27    0    7 o    2.446000      0.5985000       3.229000 0.9085000       1.664000      0.7794000       1.564000       1.197000
  1 1 1     -27    0    8 o    2.793000      0.6064000       2.944000 0.8738000       2.642000      0.8411000      0.3017000       1.213000
  1 1 1     -27    0    9 o    4.327000      0.5014000       3.858000 0.7865000       4.797000      0.6221000     -0.9393000       1.003000
  1 1 1     -27    0   10 o    2.291000      0.6881000       2.135000 0.9474000       2.448000      0.9981000     -0.3133000       1.376000
  1 1 1     -27    0   11 o    2.125000      0.6034000       1.810000 0.8017000       2.440000      0.9019000     -0.6294000       1.207000
  1 1 1     -27    0   12 o    5.006000      0.4539000       5.700000 0.5680000       4.312000      0.7082000       1.389000      0.9078000
  1 1 1     -27    0   13 o    2.410000      0.6217000       2.700000 0.9104000       2.121000      0.8469000      0.5789000       1.243000
  1 1 1     -27    0   14 o    1.957000      0.5788000       1.743000 0.7851000       2.172000      0.8506000     -0.4286000       1.158000
  1 1 1     -27    0   15 o    3.810000      0.6249000       3.862000 0.9098000       3.759000      0.8569000      0.1031000       1.250000
  1 1 1     -27    0   16 o    2.208000      0.6111000       2.469000 0.8978000       1.947000      0.8294000      0.5217000       1.222000
  1 1 1     -27    0   17 f    4.571000      0.5112000       4.247000 0.7854000       4.895000      0.6546000     -0.6478000       1.022000
  1 1 1     -27    0   18 o    1.844000      0.5654000       2.120000 0.8623000       1.567000      0.7315000      0.5531000       1.131000
  1 1 1     -27    0   19 o    1.693000      0.5511000       1.846000 0.8266000       1.540000      0.7292000      0.3056000       1.102000
  1 1 1     -27    0   20 o    3.871000      0.5738000       3.012000 0.9213000       4.731000      0.6842000      -1.718000       1.148000
  1 1 1     -27    0   21 o    2.308000      0.6428000       2.686000 0.9626000       1.931000      0.8523000      0.7546000       1.286000
  1 1 1     -27    0   22 o    1.801000      0.5746000       1.822000 0.8216000       1.780000      0.8035000      0.4241000E-01   1.149000
  1 1 1     -27    1    1 o    8.895000      0.2847000       8.799000 0.3720000       8.990000      0.4312000     -0.1907000      0.5695000
  1 1 1     -27    1    2 o    5.036000      0.4326000       5.295000 0.5123000       4.776000      0.6973000      0.5188000      0.8652000
  1 1 1     -27    1    3 o    5.549000      0.3991000       5.895000 0.4755000       5.204000      0.6411000      0.6902000      0.7982000
  1 1 1     -27    1    4 o    8.925000      0.3040000       9.711000 0.3880000       8.138000      0.4681000       1.573000      0.6080000
  1 1 1     -27    1    5 o    9.926000      0.2994000       10.23000 0.3811000       9.618000      0.4619000      0.6143000      0.5988000
  1 1 1     -27    1    6 o    13.85000      0.5368000       13.85000 0.5368000                  ?              ?              ?              ?
  1 1 1     -27    1    7 f    6.364000      0.4551000       6.523000 0.6755000       6.205000      0.6102000      0.3187000      0.9103000
  1 1 1     -27    1    8 o    6.057000      0.5410000       6.057000 0.5410000                  ?              ?              ?              ?
  1 1 1     -27    1    9 o    2.192000      0.6601000       2.417000 0.9765000       1.967000      0.8886000      0.4496000       1.320000
  1 1 1     -27    1   10 o    2.600000       1.070000                  ?       ?   2.600000       1.070000                  ?              ?
  1 1 1     -27    1   11 o    6.203000      0.3633000       5.993000 0.5256000       6.413000      0.5017000     -0.4204000      0.7266000
  1 1 1     -27    1   12 o    3.382000      0.6135000       3.003000 0.9342000       3.761000      0.7955000     -0.7573000       1.227000
  1 1 1     -27    1   13 o    2.405000      0.5724000       3.059000 0.8492000       1.752000      0.7676000       1.307000       1.145000
  1 1 1     -27    1   14 o    2.837000      0.6556000       2.619000 0.9345000       3.055000      0.9197000     -0.4367000       1.311000
  1 1 1     -27    1   15 o    8.853000      0.3083000       9.009000 0.4370000       8.697000      0.4349000      0.3121000      0.6165000
  1 1 1     -27    1   16 o    3.277000      0.6106000       3.739000 0.8205000       2.815000      0.9043000      0.9242000       1.221000
  1 1 1     -27    1   17 o    3.171000      0.6386000       3.290000 0.8720000       3.053000      0.9331000      0.2375000       1.277000
  1 1 1     -27    1   18 o    2.910000      0.6568000       2.951000 0.9249000       2.870000      0.9329000      0.8097000E-01   1.314000
  1 1 1     -27    1   19 o    2.677000      0.5959000       1.769000 0.8017000       3.585000      0.8819000      -1.816000       1.192000
  1 1 1     -27    1   20 o    2.380000      0.6001000       3.044000 0.9251000       1.716000      0.7647000       1.328000       1.200000
  1 1 1     -27    1   21 o    1.820000      0.5702000       1.622000 0.7578000       2.017000      0.8522000     -0.3949000       1.140000
  1 1 1     -27    2    1 o    3.070000      0.5459000       3.723000 0.6500000       2.417000      0.8773000       1.306000       1.092000
  1 1 1     -27    2    2 o    14.53000      0.2865000       15.29000 0.3881000       13.78000      0.4215000       1.513000      0.5729000
  1 1 1     -27    2    3 o    3.355000      0.5722000       3.529000 0.7029000       3.181000      0.9031000      0.3481000       1.144000
  1 1 1     -27    2    4 o    8.339000      0.3193000       8.768000 0.3958000       7.910000      0.5013000      0.8576000      0.6387000
  1 1 1     -27    2    5 o    3.714000      0.7445000       3.273000 0.8955000       4.155000       1.190000     -0.8825000       1.489000
  1 1 1     -27    2    6 o    5.675000      0.6411000       5.835000 0.7304000       5.515000       1.054000      0.3199000       1.282000
  1 1 1     -27    2    7 o    4.015000      0.5806000       3.802000 0.7831000       4.228000      0.8573000     -0.4256000       1.161000
  1 1 1     -27    2    8 o    3.564000      0.9904000       3.564000 0.9904000                  ?              ?              ?              ?
  1 1 1     -27    2    9 o    9.329000      0.4408000       9.453000 0.6132000       9.205000      0.6334000      0.2479000      0.8816000
  1 1 1     -27    2   10 o    12.30000      0.4478000                  ?       ?   12.30000      0.4478000                  ?              ?
  1 1 1     -27    2   11 o    7.767000      0.3687000       8.099000 0.4567000       7.436000      0.5788000      0.6627000      0.7373000
  1 1 1     -27    2   12 o    3.713000      0.6869000       3.758000 0.8562000       3.667000       1.074000      0.9107000E-01   1.374000
  1 1 1     -27    2   13 o    7.045000      0.3536000       7.088000 0.5117000       7.002000      0.4881000      0.8599000E-01  0.7072000
  1 1 1     -27    2   14 o    3.290000      0.6200000       3.120000 0.9299000       3.460000      0.8203000     -0.3396000       1.240000
  1 1 1     -27    2   15 o    3.832000      0.5289000       3.319000 0.8121000       4.344000      0.6778000      -1.024000       1.058000
  1 1 1     -27    2   16 o    7.529000      0.3490000       7.490000 0.4820000       7.569000      0.5047000     -0.7897000E-01  0.6979000
  1 1 1     -27    2   17 o    3.352000      0.6177000       3.096000 0.8872000       3.607000      0.8597000     -0.5113000       1.235000
  1 1 1     -27    2   18 o    2.003000      0.5944000       1.956000 0.8218000       2.051000      0.8590000     -0.9515000E-01   1.189000
  1 1 1     -27    2   19 o    2.008000      0.5984000       2.294000 0.9008000       1.722000      0.7879000      0.5718000       1.197000
  1 1 1     -27    2   20 o    4.883000      0.4736000       5.199000 0.6446000       4.567000      0.6941000      0.6320000      0.9473000
  1 1 1     -27    2   21 o    2.058000      0.6150000       2.170000 0.8910000       1.946000      0.8481000      0.2244000       1.230000
  1 1 1     -27    3    1 o    11.84000      0.2744000       11.98000 0.3676000       11.70000      0.4074000      0.2757000      0.5488000
  1 1 1     -27    3    2 o    13.95000      0.2855000       13.91000 0.3798000       13.99000      0.4264000     -0.8791000E-01  0.5710000
  1 1 1     -27    3    3 o    6.178000      0.3628000       6.236000 0.4614000       6.120000      0.5599000      0.1154000      0.7255000
  1 1 1     -27    3    4 o    10.68000      0.4247000       11.07000 0.5266000       10.29000      0.6665000      0.7849000      0.8494000
  1 1 1     -27    3    5 o    6.243000      0.5788000       6.579000 0.6267000       5.908000      0.9732000      0.6703000       1.158000
  1 1 1     -27    3    6 o    5.950000      0.3946000       5.919000 0.5120000       5.980000      0.6005000     -0.6077000E-01  0.7891000
  1 1 1     -27    3    7 o    8.442000      0.4004000       9.037000 0.5987000       7.848000      0.5318000       1.189000      0.8008000
  1 1 1     -27    3    8 o    4.345000      0.6860000       4.859000 0.8905000       3.830000       1.044000       1.029000       1.372000
  1 1 1     -27    3    9 o    6.393000      0.3750000       6.060000 0.4963000       6.726000      0.5624000     -0.6659000      0.7501000
  1 1 1     -27    3   10 o    9.619000      0.3275000       9.587000 0.4302000       9.652000      0.4940000     -0.6502000E-01  0.6550000
  1 1 1     -27    3   11 o    3.857000      0.5961000       4.173000 0.7468000       3.541000      0.9292000      0.6324000       1.192000
  1 1 1     -27    3   12 o    3.154000      0.6533000       3.055000 0.8412000       3.253000      0.9998000     -0.1981000       1.307000
  1 1 1     -27    3   13 o    5.769000      0.4460000       5.825000 0.5770000       5.712000      0.6801000      0.1133000      0.8919000
  1 1 1     -27    3   14 o    8.527000      0.3394000       8.826000 0.4158000       8.228000      0.5366000      0.5981000      0.6788000
  1 1 1     -27    3   15 o    2.692000      0.6393000       2.137000 0.8397000       3.247000      0.9641000      -1.110000       1.279000
  1 1 1     -27    3   16 o    9.532000      0.3192000       9.840000 0.4127000       9.224000      0.4870000      0.6163000      0.6383000
  1 1 1     -27    3   17 o    3.071000      0.6416000       3.420000 0.8592000       2.722000      0.9532000      0.6987000       1.283000
  1 1 1     -27    3   18 o    2.538000      0.6581000       2.755000 0.9464000       2.320000      0.9147000      0.4351000       1.316000
  1 1 1     -27    3   19 o    2.828000      0.6381000       2.527000 0.9009000       3.129000      0.9041000     -0.6018000       1.276000
  1 1 1     -27    3   20 o    3.026000      0.6354000       3.391000 0.8911000       2.660000      0.9061000      0.7312000       1.271000
  1 1 1     -27    4    1 o    4.819000      0.4681000       4.953000 0.5755000       4.685000      0.7385000      0.2674000      0.9362000
  1 1 1     -27    4    2 o    2.829000      0.5494000       3.685000 0.6908000       1.974000      0.8544000       1.710000       1.099000
  1 1 1     -27    4    3 o    4.080000      0.7351000       4.475000 0.8267000       3.684000       1.216000      0.7909000       1.470000
  1 1 1     -27    4    4 o    2.297000      0.6984000       2.341000 0.9436000       2.253000       1.030000      0.8757000E-01   1.397000
  1 1 1     -27    4    5 o    5.865000      0.3864000       5.798000 0.4831000       5.932000      0.6033000     -0.1339000      0.7729000
  1 1 1     -27    4    6 o    2.424000      0.6196000       2.286000 0.7789000       2.563000      0.9639000     -0.2773000       1.239000
  1 1 1     -27    4    7 o    3.269000      0.7513000       3.028000 1.053000       3.511000       1.072000     -0.4834000       1.503000
  1 1 1     -27    4    8 o    3.976000      0.5615000       4.127000 0.7155000       3.826000      0.8656000      0.3013000       1.123000
  1 1 1     -27    4    9 o    6.671000      0.4045000       7.072000 0.4870000       6.270000      0.6460000      0.8025000      0.8090000
  1 1 1     -27    4   10 o    6.351000      0.3919000       5.862000 0.5430000       6.841000      0.5653000     -0.9795000      0.7838000
  1 1 1     -27    4   11 o    4.231000      0.5749000       4.659000 0.6930000       3.803000      0.9175000      0.8561000       1.150000
  1 1 1     -27    4   12 o    2.516000      0.6421000       2.923000 0.9058000       2.109000      0.9104000      0.8136000       1.284000
  1 1 1     -27    4   13 o    3.742000      0.5952000       3.455000 0.7926000       4.029000      0.8880000     -0.5737000       1.190000
  1 1 1     -27    4   14 o    2.214000      0.6244000       2.248000 0.8725000       2.180000      0.8934000      0.6845000E-01   1.249000
  1 1 1     -27    4   15 o    8.135000      0.3321000       8.604000 0.4058000       7.666000      0.5257000      0.9381000      0.6641000
  1 1 1     -27    4   16 o    4.419000      0.5401000       4.896000 0.6716000       3.942000      0.8462000      0.9541000       1.080000
  1 1 1     -27    4   17 o    3.659000      0.5736000       4.411000 0.6706000       2.908000      0.9307000       1.503000       1.147000
  1 1 1     -27    4   18 o    2.727000      0.6390000       2.437000 0.8842000       3.016000      0.9228000     -0.5791000       1.278000
  1 1 1     -27    4   19 o    2.442000      0.5731000       1.520000 0.7264000       3.364000      0.8866000      -1.845000       1.146000
  1 1 1     -27    5    1 o    6.508000      0.3512000       6.840000 0.4143000       6.177000      0.5672000      0.6626000      0.7024000
  1 1 1     -27    5    2 o    9.563000      0.4145000       9.160000 0.5275000       9.966000      0.6395000     -0.8057000      0.8290000
  1 1 1     -27    5    3 o    7.990000      0.5091000       8.540000 0.5477000       7.441000      0.8584000       1.099000       1.018000
  1 1 1     -27    5    4 o    5.376000      0.4269000       5.403000 0.5100000       5.350000      0.6848000      0.5291000E-01  0.8538000
  1 1 1     -27    5    5 o    10.16000      0.3408000       10.98000 0.5297000       9.343000      0.4290000       1.640000      0.6816000
  1 1 1     -27    5    6 o    8.651000      0.4509000       8.009000 0.6266000       9.294000      0.6486000      -1.284000      0.9019000
  1 1 1     -27    5    7 o    4.502000      0.5068000       4.742000 0.5944000       4.263000      0.8211000      0.4796000       1.014000
  1 1 1     -27    5    8 o    6.245000      0.4118000       7.191000 0.4290000       5.299000      0.7031000       1.892000      0.8237000
  1 1 1     -27    5    9 o    5.976000      0.5386000       5.976000 0.5386000                  ?              ?              ?              ?
  1 1 1     -27    5   10 o    2.581000      0.6494000       2.145000 0.8592000       3.017000      0.9739000     -0.8724000       1.299000
  1 1 1     -27    5   11 o    2.638000      0.6575000       2.186000 0.8922000       3.089000      0.9659000     -0.9034000       1.315000
  1 1 1     -27    5   12 f    6.759000      0.3860000       7.297000 0.4567000       6.221000      0.6225000       1.076000      0.7721000
  1 1 1     -27    5   13 o    4.779000      0.5304000       5.665000 0.5863000       3.893000      0.8841000       1.772000       1.061000
  1 1 1     -27    5   14 o    2.452000      0.6318000       2.841000 0.9160000       2.064000      0.8704000      0.7770000       1.264000
  1 1 1     -27    5   15 o    3.853000      0.5561000       4.743000 0.6427000       2.964000      0.9077000       1.780000       1.112000
  1 1 1     -27    5   16 o    2.326000      0.6348000       2.291000 0.8763000       2.361000      0.9187000     -0.7057000E-01   1.270000
  1 1 1     -27    5   17 o    3.119000      0.6391000       3.647000 0.8916000       2.591000      0.9159000       1.056000       1.278000
  1 1 1     -27    5   18 o    1.768000      0.5585000       1.615000 0.7434000       1.921000      0.8338000     -0.3060000       1.117000
  1 1 1     -27    6    1 o    7.398000      0.4679000       7.050000 0.6014000       7.745000      0.7170000     -0.6946000      0.9358000
  1 1 1     -27    6    2 o    4.075000      0.6620000       3.272000 0.8277000       4.877000       1.033000      -1.604000       1.324000
  1 1 1     -27    6    3 o    4.114000      0.5240000       3.060000 0.7884000       5.168000      0.6903000      -2.108000       1.048000
  1 1 1     -27    6    4 o    2.879000      0.6937000       2.076000 0.8788000       3.682000       1.074000      -1.606000       1.387000
  1 1 1     -27    6    5 o    6.569000      0.5332000       6.064000 0.7489000       7.073000      0.7590000      -1.010000       1.066000
  1 1 1     -27    6    6 f    8.914000      0.3141000       9.155000 0.4007000       8.672000      0.4838000      0.4824000      0.6282000
  1 1 1     -27    6    7 o    7.803000      0.3406000       8.448000 0.4017000       7.158000      0.5501000       1.291000      0.6811000
  1 1 1     -27    6    8 o    6.775000      0.3483000       6.458000 0.4372000       7.091000      0.5424000     -0.6328000      0.6966000
  1 1 1     -27    6    9 o    9.290000      0.4055000       9.290000 0.4055000                  ?              ?              ?              ?
  1 1 1     -27    6   10 o    2.481000      0.6043000       3.099000 0.8750000       1.862000      0.8337000       1.237000       1.209000
  1 1 1     -27    6   11 o    2.543000      0.9507000                  ?       ?   2.543000      0.9507000                  ?              ?
  1 1 1     -27    6   12 o    4.959000      0.4775000       4.671000 0.6774000       5.247000      0.6733000     -0.5753000      0.9551000
  1 1 1     -27    6   13 o    2.128000      0.6214000       2.234000 0.8846000       2.022000      0.8730000      0.2119000       1.243000
  1 1 1     -27    6   14 o    1.567000      0.5193000       1.317000 0.6482000       1.817000      0.8114000     -0.5002000       1.039000
  1 1 1     -27    6   15 o    5.450000      0.4317000       4.989000 0.6136000       5.911000      0.6074000     -0.9220000      0.8634000
  1 1 1     -27    6   16 o    2.800000      0.6412000       2.867000 0.9031000       2.734000      0.9103000      0.1331000       1.282000
  1 1 1     -27    7    1 o    2.086000      0.5986000       1.896000 0.7862000       2.277000      0.9028000     -0.3814000       1.197000
  1 1 1     -27    7    2 o    2.528000      0.6290000       2.356000 0.8254000       2.700000      0.9493000     -0.3446000       1.258000
  1 1 1     -27    7    3 o    3.028000      0.7244000       3.266000 0.9730000       2.790000       1.073000      0.4754000       1.449000
  1 1 1     -27    7    4 o    2.587000      0.5853000       3.266000 0.7519000       1.907000      0.8972000       1.359000       1.171000
  1 1 1     -27    7    5 o    4.852000      0.4744000       4.500000 0.6284000       5.205000      0.7109000     -0.7050000      0.9488000
  1 1 1     -27    7    6 o    8.931000      0.3116000       9.374000 0.3938000       8.489000      0.4831000      0.8849000      0.6233000
  1 1 1     -27    7    7 o    5.710000      0.4008000       6.108000 0.4837000       5.313000      0.6392000      0.7951000      0.8016000
  1 1 1     -27    7    8 o    5.178000      0.4593000       5.608000 0.4994000       4.747000      0.7711000      0.8605000      0.9187000
  1 1 1     -27    7    9 f    4.500000      0.5374000       4.352000 0.6725000       4.648000      0.8383000     -0.2955000       1.075000
  1 1 1     -27    7   10 o    2.411000      0.6061000       1.514000 0.7126000       3.309000      0.9805000      -1.795000       1.212000
  1 1 1     -27    7   11 o    5.043000      0.4789000       5.773000 0.5205000       4.312000      0.8040000       1.461000      0.9577000
  1 1 1     -27    7   12 o    5.565000      0.4232000       5.439000 0.5982000       5.692000      0.5987000     -0.2526000      0.8464000
  1 1 1     -27    7   13 o    4.858000      0.4883000       5.103000 0.6383000       4.613000      0.7391000      0.4904000      0.9766000
  1 1 1     -27    7   14 o    2.315000      0.6345000       2.396000 0.8985000       2.234000      0.8960000      0.1619000       1.269000
  1 1 1     -27    7   15 o    5.068000      0.4905000       5.575000 0.6025000       4.561000      0.7741000       1.014000      0.9810000
  1 1 1     -27    8    1 o    2.736000      0.6264000       2.837000 0.8339000       2.636000      0.9348000      0.2006000       1.253000
  1 1 1     -27    8    2 o    3.486000      0.7014000       3.750000 0.9011000       3.222000       1.075000      0.5282000       1.403000
  1 1 1     -27    8    3 o    5.230000      0.4254000       5.643000 0.4923000       4.817000      0.6938000      0.8266000      0.8507000
  1 1 1     -27    8    4 o    2.385000      0.5814000       2.905000 0.8109000       1.866000      0.8333000       1.039000       1.163000
  1 1 1     -27    8    5 o    3.371000      0.6116000       3.402000 0.7458000       3.341000      0.9695000      0.6129000E-01   1.223000
  1 1 1     -27    8    6 o    3.957000      0.5802000       4.614000 0.6078000       3.299000      0.9884000       1.314000       1.160000
  1 1 1     -27    8    7 o    2.328000      0.6285000       2.314000 0.8527000       2.341000      0.9235000     -0.2644000E-01   1.257000
  1 1 1     -27    8    8 f    5.345000      0.4165000       4.528000 0.6047000       6.163000      0.5729000      -1.635000      0.8330000
  1 1 1     -27    8    9 o    2.530000      0.6433000       2.617000 0.8806000       2.442000      0.9381000      0.1753000       1.287000
  1 1 1     -27    8   10 o    2.506000      0.6417000       2.191000 0.8460000       2.821000      0.9650000     -0.6298000       1.283000
  1 1 1     -27    8   11 o    1.724000      0.5553000       1.577000 0.7314000       1.870000      0.8357000     -0.2928000       1.111000
  1 1 1     -27    8   12 o    2.372000      0.6473000       2.602000 0.9379000       2.143000      0.8925000      0.4589000       1.295000
  1 1 1     -27    8   13 o    2.849000      0.6532000       3.087000 0.9263000       2.610000      0.9213000      0.4779000       1.306000
  1 1 1     -27    9    1 o    6.087000      0.5376000       6.597000 0.6444000       5.576000      0.8607000       1.022000       1.075000
  1 1 1     -27    9    2 o    4.382000      0.4978000       4.252000 0.6595000       4.512000      0.7459000     -0.2602000      0.9956000
  1 1 1     -27    9    3 o    5.516000      0.4040000       5.705000 0.5059000       5.327000      0.6299000      0.3782000      0.8079000
  1 1 1     -27    9    4 o    3.878000      0.5480000       3.572000 0.6962000       4.184000      0.8464000     -0.6120000       1.096000
  1 1 1     -27    9    5 o    2.479000      0.6247000       2.257000 0.8059000       2.702000      0.9548000     -0.4448000       1.249000
  1 1 1     -27    9    6 o    4.437000      0.5100000       4.500000 0.6160000       4.375000      0.8130000      0.1248000       1.020000
  1 1 1     -27    9    7 o    4.435000      0.5262000       4.864000 0.5995000       4.005000      0.8651000      0.8591000       1.052000
  1 1 1     -27    9    8 o    2.346000      0.6270000       2.549000 0.8790000       2.144000      0.8943000      0.4042000       1.254000
  1 1 1     -27    9    9 o    4.313000      0.5469000       4.176000 0.7354000       4.449000      0.8097000     -0.2734000       1.094000
  1 1 1     -27    9   10 o    5.666000      0.5761000       5.666000 0.5761000                  ?              ?              ?              ?
  1 1 1     -27    9   11 o    4.422000      0.5354000       3.654000 0.8368000       5.191000      0.6682000      -1.537000       1.071000
  1 1 1     -27   10    1 o    3.523000      0.6617000       4.453000 0.9152000       2.592000      0.9560000       1.860000       1.323000
  1 1 1     -27   10    2 o    3.677000      0.5688000       3.095000 0.7866000       4.259000      0.8218000      -1.164000       1.138000
  1 1 1     -27   10    3 o    4.940000      0.4748000       5.382000 0.5338000       4.498000      0.7854000      0.8838000      0.9496000
  1 1 1     -27   10    4 o    3.027000      0.6482000       2.710000 0.8872000       3.343000      0.9453000     -0.6329000       1.296000
  1 1 1     -27   10    5 o    4.333000      0.5253000       4.703000 0.5937000       3.963000      0.8667000      0.7395000       1.051000
  1 1 1     -27   10    6 o    4.941000      0.4834000       5.350000 0.5846000       4.533000      0.7701000      0.8174000      0.9668000
  1 1 1     -27   10    7 o    2.960000      0.6393000       2.741000 0.8841000       3.179000      0.9238000     -0.4381000       1.279000
  1 1 1     -27   10    8 o    2.377000      0.6159000       2.805000 0.8941000       1.949000      0.8472000      0.8560000       1.232000
  1 1 1     -27   11    1 o    2.628000      0.6349000       2.185000 0.8767000       3.071000      0.9187000     -0.8863000       1.270000
  1 1 1     -27   11    2 o    3.348000      0.6344000       3.067000 0.9138000       3.629000      0.8803000     -0.5623000       1.269000
  1 1 1     -27   11    3 o    4.297000      0.5545000       3.720000 0.8672000       4.873000      0.6913000      -1.152000       1.109000
  1 1 1     -27   11    4 o    2.151000      0.6528000       2.330000 0.9922000       1.972000      0.8487000      0.3573000       1.306000
  1 1 1     -26  -35    1 o    3.280000       1.105000                  ?       ?   3.280000       1.105000                  ?              ?
  1 1 1     -26  -35    2 o    3.403000      0.7500000       3.964000 1.057000       2.842000       1.064000       1.122000       1.500000
  1 1 1     -26  -35    3 o    2.111000      0.6554000       1.997000 0.8883000       2.224000      0.9638000     -0.2274000       1.311000
  1 1 1     -26  -35    4 o    3.288000      0.8583000       3.583000 1.317000       2.992000       1.102000      0.5909000       1.717000
  1 1 1     -26  -35    5 o    2.747000       1.216000       2.747000 1.216000                  ?              ?              ?              ?
  1 1 1     -26  -34    1 o    4.323000      0.6449000       5.060000 0.7244000       3.586000       1.067000       1.474000       1.290000
  1 1 1     -26  -34    2 o    2.658000      0.7286000       2.800000 1.050000       2.516000       1.011000      0.2847000       1.457000
  1 1 1     -26  -34    3 o    2.361000      0.6769000       1.933000 0.8780000       2.788000       1.030000     -0.8552000       1.354000
  1 1 1     -26  -34    4 o    2.836000      0.7421000       2.434000 0.9891000       3.238000       1.107000     -0.8040000       1.484000
  1 1 1     -26  -34    5 o    2.563000      0.7809000       3.107000 1.266000       2.018000      0.9148000       1.089000       1.562000
  1 1 1     -26  -34    6 o    3.052000      0.7104000       2.248000 0.9483000       3.857000       1.058000      -1.609000       1.421000
  1 1 1     -26  -34    7 o    3.263000      0.7677000       3.238000 1.052000       3.288000       1.118000     -0.4999000E-01   1.535000
  1 1 1     -26  -34    8 o    2.155000      0.6408000       1.520000 0.7393000       2.789000       1.047000      -1.269000       1.282000
  1 1 1     -26  -34    9 o    2.974000       1.193000       2.974000 1.193000                  ?              ?              ?              ?
  1 1 1     -26  -33    1 o    2.865000      0.7237000       2.922000 1.012000       2.807000       1.035000      0.1151000       1.447000
  1 1 1     -26  -33    2 o    4.245000      0.6865000       5.096000 0.8225000       3.394000       1.099000       1.702000       1.373000
  1 1 1     -26  -33    3 o    3.399000      0.7053000       2.771000 1.002000       4.028000      0.9935000      -1.257000       1.411000
  1 1 1     -26  -33    4 o    2.259000      0.6637000       1.623000 0.7649000       2.895000       1.085000      -1.272000       1.327000
  1 1 1     -26  -33    5 o    1.963000      0.6245000       1.746000 0.8181000       2.180000      0.9437000     -0.4345000       1.249000
  1 1 1     -26  -33    6 o    2.459000      0.7023000       2.535000 0.9740000       2.383000       1.012000      0.1523000       1.405000
  1 1 1     -26  -33    7 o    3.711000      0.6890000       4.390000 0.8336000       3.032000       1.097000       1.358000       1.378000
  1 1 1     -26  -33    8 o    3.544000      0.7324000       3.434000 1.038000       3.654000       1.033000     -0.2200000       1.465000
  1 1 1     -26  -33    9 o    4.852000      0.6165000       3.999000 0.9303000       5.705000      0.8093000      -1.706000       1.233000
  1 1 1     -26  -33   10 o    4.263000      0.6931000       3.662000 1.031000       4.864000      0.9269000      -1.203000       1.386000
  1 1 1     -26  -33   11 o    4.018000      0.6690000       3.241000 0.9982000       4.795000      0.8908000      -1.554000       1.338000
  1 1 1     -26  -32    1 o    4.199000      0.6540000       4.642000 0.7995000       3.757000       1.035000      0.8853000       1.308000
  1 1 1     -26  -32    2 f    4.671000      0.6188000       5.370000 0.6765000       3.973000       1.036000       1.398000       1.238000
  1 1 1     -26  -32    3 o    5.024000      0.5465000       5.180000 0.6831000       4.867000      0.8533000      0.3134000       1.093000
  1 1 1     -26  -32    4 o    3.521000      0.6897000       3.793000 0.8571000       3.249000       1.081000      0.5442000       1.379000
  1 1 1     -26  -32    5 o    2.511000      0.7049000       2.538000 0.9787000       2.485000       1.015000      0.5267000E-01   1.410000
  1 1 1     -26  -32    6 o    2.311000      0.6816000       2.338000 0.9437000       2.284000      0.9837000      0.5367000E-01   1.363000
  1 1 1     -26  -32    7 o    3.483000      0.7099000       3.641000 0.9382000       3.326000       1.066000      0.3143000       1.420000
  1 1 1     -26  -32    8 o    2.912000      0.7185000       2.246000 0.9389000       3.578000       1.088000      -1.332000       1.437000
  1 1 1     -26  -32    9 o    4.648000      0.5967000       5.328000 0.6832000       3.967000      0.9784000       1.361000       1.193000
  1 1 1     -26  -32   10 o    2.706000      0.7331000       2.531000 0.9866000       2.881000       1.085000     -0.3495000       1.466000
  1 1 1     -26  -32   11 o    2.569000      0.6632000       1.797000 0.8278000       3.341000       1.036000      -1.544000       1.326000
  1 1 1     -26  -32   12 o    2.496000      0.6654000       3.103000 0.9935000       1.889000      0.8853000       1.214000       1.331000
  1 1 1     -26  -32   13 o    1.933000      0.6192000       2.271000 0.9589000       1.594000      0.7835000      0.6772000       1.238000
  1 1 1     -26  -31    1 o    5.011000      0.5096000       4.932000 0.6881000       5.091000      0.7518000     -0.1592000       1.019000
  1 1 1     -26  -31    2 f    2.865000       1.027000                  ?       ?   2.865000       1.027000                  ?              ?
  1 1 1     -26  -31    3 o    2.857000      0.6881000       2.580000 0.9208000       3.135000       1.023000     -0.5549000       1.376000
  1 1 1     -26  -31    4 o    4.079000      0.6056000       4.066000 0.8164000       4.092000      0.8946000     -0.2617000E-01   1.211000
  1 1 1     -26  -31    5 o    5.950000      0.4609000       5.683000 0.6292000       6.216000      0.6737000     -0.5331000      0.9218000
  1 1 1     -26  -31    6 o    4.621000      0.6279000       5.297000 0.7081000       3.944000       1.037000       1.353000       1.256000
  1 1 1     -26  -31    7 o    4.550000      0.5831000       4.021000 0.8538000       5.078000      0.7942000      -1.056000       1.166000
  1 1 1     -26  -31    8 o    3.357000      0.7310000       3.260000 0.9854000       3.455000       1.080000     -0.1949000       1.462000
  1 1 1     -26  -31    9 o    3.512000      0.6945000       2.634000 0.9908000       4.391000      0.9734000      -1.756000       1.389000
  1 1 1     -26  -31   10 o    2.508000      0.6949000       1.933000 0.8746000       3.083000       1.080000      -1.150000       1.390000
  1 1 1     -26  -31   11 o    2.961000      0.7414000       2.842000 1.017000       3.081000       1.079000     -0.2391000       1.483000
  1 1 1     -26  -31   12 o    1.811000      0.5941000       1.924000 0.8664000       1.698000      0.8133000      0.2256000       1.188000
  1 1 1     -26  -31   13 o    4.779000      0.6348000       4.550000 0.8850000       5.008000      0.9103000     -0.4571000       1.270000
  1 1 1     -26  -31   14 o    3.594000      0.7236000       3.799000 1.019000       3.389000       1.027000      0.4099000       1.447000
  1 1 1     -26  -31   15 o    2.134000      0.6636000       2.074000 0.9200000       2.194000      0.9566000     -0.1196000       1.327000
  1 1 1     -26  -30    1 o    2.238000      0.6387000       2.380000 0.8960000       2.096000      0.9104000      0.2836000       1.277000
  1 1 1     -26  -30    2 f    2.984000       1.021000                  ?       ?   2.984000       1.021000                  ?              ?
  1 1 1     -26  -30    3 o    2.466000      0.6454000       2.747000 0.8988000       2.186000      0.9264000      0.5612000       1.291000
  1 1 1     -26  -30    4 o    7.741000      0.5693000       7.870000 0.9737000       7.611000      0.5901000      0.2596000       1.139000
  1 1 1     -26  -30    5 o    6.566000      0.4307000       5.667000 0.6527000       7.464000      0.5621000      -1.797000      0.8613000
  1 1 1     -26  -30    6 o    4.364000      0.6101000       4.328000 0.7927000       4.401000      0.9276000     -0.7341000E-01   1.220000
  1 1 1     -26  -30    7 o    4.721000      0.6013000       5.541000 0.6246000       3.900000       1.028000       1.641000       1.203000
  1 1 1     -26  -30    8 f    2.749000      0.7067000       2.572000 0.9659000       2.926000       1.032000     -0.3544000       1.413000
  1 1 1     -26  -30    9 o    3.374000      0.7126000       3.538000 0.9274000       3.209000       1.082000      0.3294000       1.425000
  1 1 1     -26  -30   10 o    3.953000      0.7103000       3.150000 1.017000       4.756000      0.9924000      -1.606000       1.421000
  1 1 1     -26  -30   11 o    3.074000      0.7217000       3.033000 0.9838000       3.115000       1.056000     -0.8229000E-01   1.443000
  1 1 1     -26  -30   12 o    2.880000      0.7413000       2.402000 0.9752000       3.358000       1.117000     -0.9566000       1.483000
  1 1 1     -26  -30   13 o    3.959000      0.6771000       4.922000 0.8336000       2.995000       1.067000       1.927000       1.354000
  1 1 1     -26  -30   14 o    2.808000      0.7207000       2.798000 1.003000       2.818000       1.035000     -0.2081000E-01   1.441000
  1 1 1     -26  -30   15 f    2.569000      0.7094000       2.531000 0.9970000       2.607000       1.009000     -0.7588000E-01   1.419000
  1 1 1     -26  -30   16 o    2.571000      0.6869000       3.117000 1.017000       2.025000      0.9236000       1.092000       1.374000
  1 1 1     -26  -30   17 o    2.791000       1.152000       2.791000 1.152000                  ?              ?              ?              ?
  1 1 1     -26  -29    1 o    1.675000      0.5479000       1.486000 0.7050000       1.864000      0.8388000     -0.3783000       1.096000
  1 1 1     -26  -29    2 o    2.048000      0.6116000       1.519000 0.7186000       2.577000      0.9898000      -1.058000       1.223000
  1 1 1     -26  -29    3 o    4.211000      0.6248000       4.270000 0.7963000       4.153000      0.9630000      0.1172000       1.250000
  1 1 1     -26  -29    4 o    3.869000      0.6196000       4.261000 0.7606000       3.477000      0.9782000      0.7849000       1.239000
  1 1 1     -26  -29    5 f    4.292000      0.5867000       5.097000 0.6363000       3.487000      0.9858000       1.611000       1.173000
  1 1 1     -26  -29    6 o    4.158000      0.6231000       4.967000 0.7077000       3.349000       1.026000       1.617000       1.246000
  1 1 1     -26  -29    7 o    3.908000      0.6238000       4.710000 0.7212000       3.105000       1.018000       1.605000       1.248000
  1 1 1     -26  -29    8 o    4.623000      0.6049000       6.057000 0.6187000       3.189000       1.040000       2.868000       1.210000
  1 1 1     -26  -29    9 o    2.359000      0.6939000       2.422000 0.9726000       2.297000      0.9900000      0.1255000       1.388000
  1 1 1     -26  -29   10 o    4.953000      0.5734000       5.462000 0.7046000       4.445000      0.9048000       1.017000       1.147000
  1 1 1     -26  -29   11 o    2.500000      0.7080000       2.237000 0.9248000       2.763000       1.072000     -0.5255000       1.416000
  1 1 1     -26  -29   12 o    2.795000      0.7240000       3.017000 1.020000       2.573000       1.027000      0.4445000       1.448000
  1 1 1     -26  -29   13 o    2.778000      0.7105000       3.169000 1.018000       2.386000      0.9917000      0.7824000       1.421000
  1 1 1     -26  -29   14 o    2.373000      0.6932000       2.241000 0.9339000       2.505000       1.025000     -0.2639000       1.386000
  1 1 1     -26  -29   15 o    2.864000      0.6896000       3.516000 0.9771000       2.212000      0.9735000       1.304000       1.379000
  1 1 1     -26  -29   16 o    4.293000      0.7066000       4.314000 0.9502000       4.272000       1.046000      0.4210000E-01   1.413000
  1 1 1     -26  -29   17 o    2.369000      0.6986000       1.976000 0.8864000       2.762000       1.080000     -0.7862000       1.397000
  1 1 1     -26  -29   18 o    2.360000      0.6878000       2.742000 1.027000       1.979000      0.9154000      0.7630000       1.376000
  1 1 1     -26  -28    1 o    4.498000      0.7085000       3.890000 0.9647000       5.107000       1.038000      -1.217000       1.417000
  1 1 1     -26  -28    2 o    4.160000      0.7113000       3.494000 0.9570000       4.826000       1.053000      -1.332000       1.423000
  1 1 1     -26  -28    3 o    4.371000      0.5422000       4.080000 0.7410000       4.661000      0.7918000     -0.5810000       1.084000
  1 1 1     -26  -28    4 o    3.644000      0.6194000       4.244000 0.7340000       3.043000      0.9981000       1.201000       1.239000
  1 1 1     -26  -28    5 o    6.775000      0.4006000       6.649000 0.5179000       6.902000      0.6114000     -0.2529000      0.8012000
  1 1 1     -26  -28    6 o    2.255000      0.6493000       2.004000 0.8505000       2.507000      0.9814000     -0.5027000       1.299000
  1 1 1     -26  -28    7 o    2.861000      0.6924000       3.202000 0.9600000       2.520000      0.9980000      0.6815000       1.385000
  1 1 1     -26  -28    8 o    4.535000      0.6172000       5.303000 0.6843000       3.767000       1.027000       1.535000       1.234000
  1 1 1     -26  -28    9 o    1.925000      0.6164000       1.938000 0.8714000       1.912000      0.8722000      0.2601000E-01   1.233000
  1 1 1     -26  -28   10 f    6.610000      0.4436000       6.723000 0.5805000       6.497000      0.6710000      0.2253000      0.8873000
  1 1 1     -26  -28   11 o    2.719000      0.7190000       3.060000 1.020000       2.379000       1.013000      0.6805000       1.438000
  1 1 1     -26  -28   12 o    2.819000      0.7195000       2.449000 0.9718000       3.188000       1.061000     -0.7388000       1.439000
  1 1 1     -26  -28   13 o    3.617000      0.7317000       3.468000 0.9804000       3.766000       1.086000     -0.2978000       1.463000
  1 1 1     -26  -28   14 o    4.524000      0.6366000       5.355000 0.6620000       3.693000       1.088000       1.662000       1.273000
  1 1 1     -26  -28   15 o    3.886000      0.7422000       3.873000 0.9933000       3.900000       1.103000     -0.2658000E-01   1.484000
  1 1 1     -26  -28   16 o    2.984000      0.7151000       3.438000 1.012000       2.529000       1.011000      0.9086000       1.430000
  1 1 1     -26  -28   17 o    3.042000      0.7648000       2.967000 1.069000       3.117000       1.094000     -0.1494000       1.530000
  1 1 1     -26  -28   18 o    2.896000      0.7177000       2.470000 0.9834000       3.322000       1.046000     -0.8519000       1.435000
  1 1 1     -26  -28   19 o    3.068000      0.6498000       4.273000 0.9629000       1.863000      0.8729000       2.410000       1.300000
  1 1 1     -26  -27    1 o    5.616000      0.4189000       6.445000 0.4823000       4.787000      0.6849000       1.658000      0.8377000
  1 1 1     -26  -27    2 o    2.864000      0.6638000       2.815000 0.8743000       2.914000      0.9991000     -0.9880000E-01   1.328000
  1 1 1     -26  -27    3 o    2.943000      0.7402000       2.599000 0.9051000       3.287000       1.171000     -0.6881000       1.480000
  1 1 1     -26  -27    4 o    2.357000      0.7024000       2.397000 0.9515000       2.317000       1.033000      0.7992000E-01   1.405000
  1 1 1     -26  -27    5 o    3.955000      0.6382000       3.542000 0.9088000       4.368000      0.8962000     -0.8259000       1.276000
  1 1 1     -26  -27    6 o    3.084000      0.6686000       2.502000 0.9420000       3.666000      0.9491000      -1.164000       1.337000
  1 1 1     -26  -27    7 o    3.809000      0.6297000       3.399000 0.8863000       4.218000      0.8948000     -0.8188000       1.259000
  1 1 1     -26  -27    8 o    3.480000      0.6954000       3.995000 0.9112000       2.966000       1.051000       1.028000       1.391000
  1 1 1     -26  -27    9 o    1.913000      0.5981000       1.641000 0.7668000       2.184000      0.9181000     -0.5427000       1.196000
  1 1 1     -26  -27   10 o    5.908000      0.5067000       5.358000 0.7364000       6.459000      0.6962000      -1.101000       1.013000
  1 1 1     -26  -27   11 f    2.613000      0.6954000       2.895000 1.007000       2.331000      0.9597000      0.5635000       1.391000
  1 1 1     -26  -27   12 o    2.744000      0.7188000       2.247000 0.9264000       3.241000       1.099000     -0.9942000       1.438000
  1 1 1     -26  -27   13 o    2.375000      0.6908000       2.656000 1.003000       2.093000      0.9507000      0.5628000       1.382000
  1 1 1     -26  -27   14 o    2.613000      0.7146000       2.089000 0.9120000       3.137000       1.100000      -1.047000       1.429000
  1 1 1     -26  -27   15 o    4.309000      0.6670000       4.000000 0.9613000       4.617000      0.9248000     -0.6173000       1.334000
  1 1 1     -26  -27   16 o    3.359000      0.7164000       3.681000 0.9731000       3.038000       1.052000      0.6439000       1.433000
  1 1 1     -26  -27   17 o    4.762000      0.6078000       5.804000 0.7058000       3.720000      0.9897000       2.084000       1.216000
  1 1 1     -26  -27   18 o    3.292000      0.7131000       2.753000 1.014000       3.831000       1.003000      -1.077000       1.426000
  1 1 1     -26  -27   19 o    3.506000      0.7324000       3.858000 1.035000       3.154000       1.036000      0.7034000       1.465000
  1 1 1     -26  -27   20 o    3.418000      0.7200000       3.938000 0.9666000       2.898000       1.067000       1.040000       1.440000
  1 1 1     -26  -26    1 o    3.200000       1.207000       3.200000 1.207000                  ?              ?              ?              ?
  1 1 1     -26  -26    2 o    3.561000      0.8246000       4.617000 1.259000       2.504000       1.065000       2.114000       1.649000
  1 1 1     -26  -26    3 o    2.872000      0.9969000                  ?       ?   2.872000      0.9969000                  ?              ?
  1 1 1     -26  -26    4 o    2.986000      0.6723000       2.930000 0.9049000       3.042000      0.9945000     -0.1112000       1.345000
  1 1 1     -26  -26    5 o    2.120000      0.6878000       1.723000 0.7972000       2.517000       1.121000     -0.7937000       1.376000
  1 1 1     -26  -26    6 o    3.103000      0.7813000       3.264000 1.054000       2.942000       1.154000      0.3213000       1.563000
  1 1 1     -26  -26    7 o    5.330000      0.4906000       4.969000 0.6875000       5.690000      0.7002000     -0.7207000      0.9813000
  1 1 1     -26  -26    8 o    2.097000      0.6297000       1.683000 0.7747000       2.511000      0.9929000     -0.8276000       1.259000
  1 1 1     -26  -26    9 o    4.352000      0.6050000       5.363000 0.6558000       3.342000       1.017000       2.021000       1.210000
  1 1 1     -26  -26   10 o    2.395000      0.6687000       2.502000 0.9356000       2.288000      0.9556000      0.2142000       1.337000
  1 1 1     -26  -26   11 o    4.372000      0.6035000       4.495000 0.7876000       4.250000      0.9146000      0.2448000       1.207000
  1 1 1     -26  -26   12 f    3.747000      0.6668000       4.801000 0.8235000       2.692000       1.049000       2.108000       1.334000
  1 1 1     -26  -26   13 o    4.899000      0.5652000       4.911000 0.7940000       4.886000      0.8045000      0.2432000E-01   1.130000
  1 1 1     -26  -26   14 o    2.653000      0.7143000       2.480000 0.9534000       2.827000       1.064000     -0.3474000       1.429000
  1 1 1     -26  -26   15 o    2.459000      0.6608000       3.118000 1.011000       1.801000      0.8512000       1.317000       1.322000
  1 1 1     -26  -26   16 o    2.944000      0.6891000       3.662000 0.9672000       2.225000      0.9820000       1.438000       1.378000
  1 1 1     -26  -26   17 o    3.593000      0.6962000       4.335000 0.9228000       2.851000       1.043000       1.484000       1.392000
  1 1 1     -26  -26   18 o    2.723000      0.7325000       2.918000 1.043000       2.528000       1.029000      0.3903000       1.465000
  1 1 1     -26  -26   19 o    4.690000      0.6187000       5.266000 0.7370000       4.115000      0.9940000       1.151000       1.237000
  1 1 1     -26  -26   20 o    4.010000      0.6730000       3.184000 1.038000       4.835000      0.8575000      -1.652000       1.346000
  1 1 1     -26  -26   21 f    2.505000      0.6606000       3.124000 0.9995000       1.886000      0.8642000       1.239000       1.321000
  1 1 1     -26  -25    1 o    6.824000      0.4856000       6.824000 0.4856000                  ?              ?              ?              ?
  1 1 1     -26  -25    2 o    10.51000      0.4296000       10.35000 0.6409000       10.68000      0.5723000     -0.3321000      0.8592000
  1 1 1     -26  -25    3 o    8.483000      0.6606000                  ?       ?   8.483000      0.6606000                  ?              ?
  1 1 1     -26  -25    4 o    2.603000      0.6351000       2.877000 0.8944000       2.329000      0.9019000      0.5475000       1.270000
  1 1 1     -26  -25    5 o    4.736000      0.5135000       4.416000 0.7612000       5.055000      0.6895000     -0.6391000       1.027000
  1 1 1     -26  -25    6 o    6.009000      0.4361000       6.133000 0.5814000       5.886000      0.6501000      0.2464000      0.8722000
  1 1 1     -26  -25    7 o    4.540000      0.7638000       4.594000 0.8498000       4.486000       1.270000      0.1082000       1.528000
  1 1 1     -26  -25    8 f    4.030000      0.6656000       4.908000 0.8802000       3.152000      0.9988000       1.756000       1.331000
  1 1 1     -26  -25    9 o    3.976000      0.6376000       3.881000 0.8692000       4.071000      0.9331000     -0.1901000       1.275000
  1 1 1     -26  -25   10 o    2.582000      0.6979000       2.480000 0.9545000       2.683000       1.019000     -0.2035000       1.396000
  1 1 1     -26  -25   11 o    2.267000      0.6661000       2.000000 0.8783000       2.534000       1.002000     -0.5341000       1.332000
  1 1 1     -26  -25   12 o    2.545000      0.7044000       2.555000 0.9703000       2.535000       1.021000      0.1994000E-01   1.409000
  1 1 1     -26  -25   13 o    2.977000      0.7212000       3.218000 1.014000       2.735000       1.026000      0.4830000       1.442000
  1 1 1     -26  -25   14 o    3.803000      0.7075000       4.236000 0.9106000       3.371000       1.083000      0.8648000       1.415000
  1 1 1     -26  -25   15 o    3.453000      0.6831000       2.479000 0.9982000       4.426000      0.9328000      -1.947000       1.366000
  1 1 1     -26  -25   16 o    3.384000      0.7112000       4.140000 0.9639000       2.629000       1.046000       1.511000       1.422000
  1 1 1     -26  -25   17 o    2.527000      0.7032000       2.916000 1.055000       2.137000      0.9300000      0.7796000       1.406000
  1 1 1     -26  -25   18 o    3.869000      0.7111000       3.920000 0.9970000       3.818000       1.014000      0.1026000       1.422000
  1 1 1     -26  -25   19 o    4.442000      0.6363000       3.515000 0.9983000       5.369000      0.7891000      -1.854000       1.273000
  1 1 1     -26  -25   20 o    2.512000      0.7076000       2.805000 1.028000       2.219000      0.9724000      0.5860000       1.415000
  1 1 1     -26  -25   21 o    2.394000      0.6689000       1.663000 0.7886000       3.125000       1.081000      -1.462000       1.338000
  1 1 1     -26  -25   22 o    2.707000      0.7033000       2.534000 0.9706000       2.880000       1.018000     -0.3453000       1.407000
  1 1 1     -26  -24    1 o    2.138000      0.5561000       2.811000 0.8517000       1.464000      0.7154000       1.347000       1.112000
  1 1 1     -26  -24    2 o    6.014000      0.5267000       5.463000 0.5536000       6.564000      0.8963000      -1.101000       1.053000
  1 1 1     -26  -24    3 o    5.387000      0.4338000       5.688000 0.5387000       5.086000      0.6802000      0.6017000      0.8677000
  1 1 1     -26  -24    5 o    5.076000      0.7289000       5.501000 1.103000       4.650000      0.9535000      0.8512000       1.458000
  1 1 1     -26  -24    6 o    5.060000      0.6123000       5.888000 0.5464000       4.232000       1.096000       1.656000       1.225000
  1 1 1     -26  -24    7 o    3.208000      0.6808000       3.166000 0.9417000       3.250000      0.9835000     -0.8368000E-01   1.362000
  1 1 1     -26  -24    8 o    3.536000      0.8121000       3.802000 1.048000       3.269000       1.241000      0.5324000       1.624000
  1 1 1     -26  -24    9 o    7.491000      0.5076000       7.668000 0.6520000       7.315000      0.7782000      0.3531000       1.015000
  1 1 1     -26  -24   10 o    6.055000      0.4429000       5.400000 0.6312000       6.711000      0.6216000      -1.311000      0.8859000
  1 1 1     -26  -24   11 o    2.655000      0.7118000       2.425000 0.9746000       2.884000       1.038000     -0.4597000       1.424000
  1 1 1     -26  -24   12 o    3.007000      0.6984000       3.308000 0.9777000       2.706000      0.9974000      0.6021000       1.397000
  1 1 1     -26  -24   13 o    3.711000      0.6849000       3.080000 1.006000       4.343000      0.9292000      -1.263000       1.370000
  1 1 1     -26  -24   14 o    2.223000      0.6627000       2.356000 0.9419000       2.090000      0.9323000      0.2655000       1.325000
  1 1 1     -26  -24   15 o    3.253000      0.7672000       3.254000 1.047000       3.253000       1.121000      0.8421000E-03   1.534000
  1 1 1     -26  -24   16 o    2.909000      0.7363000       2.405000 0.9882000       3.412000       1.092000      -1.007000       1.473000
  1 1 1     -26  -24   17 f    5.127000      0.6073000       5.727000 0.7576000       4.528000      0.9495000       1.199000       1.215000
  1 1 1     -26  -24   18 o    2.302000      0.6863000       2.266000 0.9584000       2.337000      0.9827000     -0.7122000E-01   1.373000
  1 1 1     -26  -24   19 o    2.696000      0.7116000       2.760000 1.006000       2.632000       1.006000      0.1286000       1.423000
  1 1 1     -26  -24   20 o    3.349000      0.7182000       3.845000 0.9632000       2.853000       1.066000      0.9922000       1.436000
  1 1 1     -26  -24   21 o    2.592000      0.7085000       2.964000 1.034000       2.220000      0.9693000      0.7442000       1.417000
  1 1 1     -26  -24   22 f    3.126000      0.6658000       3.938000 0.9128000       2.314000      0.9696000       1.624000       1.332000
  1 1 1     -26  -24   23 o    4.768000       1.166000       4.768000 1.166000                  ?              ?              ?              ?
  1 1 1     -26  -23    1 o    8.839000      0.3063000       9.067000 0.4023000       8.611000      0.4618000      0.4558000      0.6125000
  1 1 1     -26  -23    2 o    2.789000      0.6401000       2.756000 0.8389000       2.822000      0.9670000     -0.6566000E-01   1.280000
  1 1 1     -26  -23    3 o    4.715000      0.5078000       4.841000 0.6187000       4.590000      0.8055000      0.2512000       1.016000
  1 1 1     -26  -23    4 o    8.386000      0.3193000       8.092000 0.4622000       8.679000      0.4405000     -0.5870000      0.6386000
  1 1 1     -26  -23    5 o    7.962000      0.4387000       8.403000 0.7308000       7.520000      0.4856000      0.8834000      0.8774000
  1 1 1     -26  -23    6 o    5.747000      0.6905000       5.774000 1.066000       5.720000      0.8777000      0.5426000E-01   1.381000
  1 1 1     -26  -23    7 o    6.946000      0.3798000       6.775000 0.5247000       7.118000      0.5493000     -0.3429000      0.7596000
  1 1 1     -26  -23    8 o    6.929000      0.4105000       7.123000 0.5447000       6.736000      0.6142000      0.3875000      0.8209000
  1 1 1     -26  -23    9 f    3.132000      0.7838000       3.524000 1.088000       2.739000       1.129000      0.7850000       1.568000
  1 1 1     -26  -23   10 o    4.494000      0.7211000       3.416000 1.062000       5.571000      0.9761000      -2.155000       1.442000
  1 1 1     -26  -23   11 o    3.873000      0.6655000       3.473000 0.9505000       4.272000      0.9317000     -0.7996000       1.331000
  1 1 1     -26  -23   12 o    3.280000      0.6956000       3.889000 0.9480000       2.671000       1.018000       1.218000       1.391000
  1 1 1     -26  -23   13 o    3.048000      0.6935000       3.561000 0.9603000       2.535000       1.001000       1.026000       1.387000
  1 1 1     -26  -23   14 o    2.907000      0.7025000       2.713000 0.9878000       3.102000      0.9993000     -0.3889000       1.405000
  1 1 1     -26  -23   15 o    3.087000      0.7342000       2.864000 1.008000       3.311000       1.068000     -0.4468000       1.468000
  1 1 1     -26  -23   16 o    4.310000      0.6351000       3.181000 0.9855000       5.439000      0.8013000      -2.258000       1.270000
  1 1 1     -26  -23   17 o    3.115000      0.7541000       2.928000 1.045000       3.302000       1.087000     -0.3742000       1.508000
  1 1 1     -26  -23   18 o    2.445000      0.7112000       2.597000 1.019000       2.293000      0.9926000      0.3041000       1.422000
  1 1 1     -26  -23   19 o    3.075000      0.7220000       3.521000 1.022000       2.630000       1.020000      0.8911000       1.444000
  1 1 1     -26  -23   20 o    3.435000      0.7596000       3.135000 1.088000       3.736000       1.061000     -0.6004000       1.519000
  1 1 1     -26  -23   21 o    2.261000      0.6680000       1.976000 0.8748000       2.546000       1.010000     -0.5699000       1.336000
  1 1 1     -26  -23   22 o    2.916000      0.7160000       2.921000 1.005000       2.911000       1.020000      0.1005000E-01   1.432000
  1 1 1     -26  -23   23 o    2.711000      0.7007000       2.034000 0.9075000       3.389000       1.068000      -1.355000       1.401000
  1 1 1     -26  -22    1 o    7.551000      0.3098000       7.611000 0.4102000       7.491000      0.4643000      0.1205000      0.6196000
  1 1 1     -26  -22    2 o    6.021000      0.3450000       6.480000 0.4648000       5.562000      0.5100000      0.9179000      0.6900000
  1 1 1     -26  -22    3 f    1.856000      0.5633000       2.111000 0.8341000       1.601000      0.7572000      0.5100000       1.127000
  1 1 1     -26  -22    4 o    2.828000      0.5915000       3.187000 0.7522000       2.470000      0.9132000      0.7170000       1.183000
  1 1 1     -26  -22    5 o    1.678000      0.5483000       1.769000 0.7984000       1.588000      0.7517000      0.1805000       1.097000
  1 1 1     -26  -22    6 o    3.912000      0.6059000       4.557000 0.7441000       3.267000      0.9564000       1.289000       1.212000
  1 1 1     -26  -22    7 o    11.02000      0.4555000       10.65000 0.6912000       11.40000      0.5935000     -0.7404000      0.9111000
  1 1 1     -26  -22    8 o    10.05000      0.3114000       9.700000 0.4408000       10.39000      0.4399000     -0.6895000      0.6228000
  1 1 1     -26  -22    9 o    8.199000      0.3599000       8.672000 0.4857000       7.725000      0.5311000      0.9469000      0.7197000
  1 1 1     -26  -22   10 o    6.233000      0.5753000       6.100000 0.7605000       6.366000      0.8634000     -0.2659000       1.151000
  1 1 1     -26  -22   11 o    3.026000      0.8269000       2.836000 1.081000       3.215000       1.251000     -0.3787000       1.654000
  1 1 1     -26  -22   12 o    5.267000      0.5505000       5.609000 0.6771000       4.924000      0.8681000      0.6851000       1.101000
  1 1 1     -26  -22   13 o    3.155000      0.7220000       3.252000 1.024000       3.059000       1.018000      0.1924000       1.444000
  1 1 1     -26  -22   14 o    2.688000      0.7099000       3.038000 1.027000       2.337000      0.9807000      0.7015000       1.420000
  1 1 1     -26  -22   15 o    6.343000      0.4651000       6.522000 0.6048000       6.163000      0.7068000      0.3591000      0.9302000
  1 1 1     -26  -22   16 o    4.293000      0.6915000       4.596000 0.8880000       3.990000       1.060000      0.6059000       1.383000
  1 1 1     -26  -22   17 o    3.310000      0.7569000       2.674000 1.036000       3.947000       1.104000      -1.273000       1.514000
  1 1 1     -26  -22   18 o    2.807000      0.7446000       2.927000 1.030000       2.687000       1.076000      0.2405000       1.489000
  1 1 1     -26  -22   19 o    5.563000      0.5577000       5.154000 0.8006000       5.973000      0.7767000     -0.8186000       1.115000
  1 1 1     -26  -22   20 o    4.243000      0.6823000       4.159000 0.9779000       4.327000      0.9518000     -0.1683000       1.365000
  1 1 1     -26  -22   21 f    2.574000      0.7235000       2.480000 1.007000       2.668000       1.039000     -0.1873000       1.447000
  1 1 1     -26  -22   22 o    3.290000      0.6612000       4.410000 0.9147000       2.169000      0.9549000       2.241000       1.322000
  1 1 1     -26  -22   23 o    4.703000      0.6205000       4.998000 0.8094000       4.408000      0.9407000      0.5906000       1.241000
  1 1 1     -26  -22   24 f    3.775000      0.7306000       3.752000 1.016000       3.797000       1.050000     -0.4555000E-01   1.461000
  1 1 1     -26  -21    1 o    7.795000      0.3108000       7.820000 0.4198000       7.770000      0.4584000      0.5003000E-01  0.6215000
  1 1 1     -26  -21    2 o    10.94000      0.3852000       10.94000 0.3852000                  ?              ?              ?              ?
  1 1 1     -26  -21    3 o    5.626000      0.4242000       5.117000 0.6178000       6.136000      0.5816000      -1.020000      0.8485000
  1 1 1     -26  -21    4 o    6.427000      0.5559000                  ?       ?   6.427000      0.5559000                  ?              ?
  1 1 1     -26  -21    5 o    6.175000      0.3852000       6.542000 0.5048000       5.808000      0.5819000      0.7343000      0.7703000
  1 1 1     -26  -21    6 o    8.574000      0.3215000       8.622000 0.4441000       8.526000      0.4650000      0.9624000E-01  0.6430000
  1 1 1     -26  -21    7 o    4.573000      0.5272000       5.030000 0.6493000       4.116000      0.8307000      0.9143000       1.054000
  1 1 1     -26  -21    8 o    5.898000      0.6713000       7.433000 0.7685000       4.362000       1.101000       3.071000       1.343000
  1 1 1     -26  -21    9 o    10.60000      0.3061000       10.79000 0.4413000       10.42000      0.4243000      0.3766000      0.6122000
  1 1 1     -26  -21   10 o    4.909000      0.5415000       5.646000 0.6010000       4.171000      0.9009000       1.475000       1.083000
  1 1 1     -26  -21   11 o    5.538000      0.7051000       5.747000 0.8444000       5.328000       1.129000      0.4196000       1.410000
  1 1 1     -26  -21   12 f    4.659000      0.7967000       4.967000 0.9636000       4.350000       1.269000      0.6168000       1.593000
  1 1 1     -26  -21   13 o    2.703000      0.7062000       2.636000 0.9825000       2.771000       1.015000     -0.1348000       1.412000
  1 1 1     -26  -21   14 f    7.504000      0.4020000       7.729000 0.5606000       7.280000      0.5762000      0.4490000      0.8040000
  1 1 1     -26  -21   15 o    8.868000      0.3854000       8.794000 0.5377000       8.942000      0.5522000     -0.1486000      0.7707000
  1 1 1     -26  -21   16 o    3.508000      0.7358000       3.598000 0.9884000       3.418000       1.090000      0.1801000       1.472000
  1 1 1     -26  -21   17 o    6.666000      0.4567000       6.596000 0.6238000       6.737000      0.6673000     -0.1408000      0.9135000
  1 1 1     -26  -21   18 o    2.848000      0.7351000       3.039000 1.028000       2.658000       1.051000      0.3818000       1.470000
  1 1 1     -26  -21   19 o    6.117000      0.5336000       5.611000 0.7958000       6.623000      0.7109000      -1.012000       1.067000
  1 1 1     -26  -21   20 o    2.842000      0.7577000       2.860000 1.075000       2.824000       1.068000      0.3586000E-01   1.515000
  1 1 1     -26  -21   21 o    5.024000      0.5866000       4.844000 0.8790000       5.205000      0.7770000     -0.3605000       1.173000
  1 1 1     -26  -21   22 o    2.750000      0.7010000       3.443000 1.068000       2.058000      0.9086000       1.385000       1.402000
  1 1 1     -26  -21   23 o    4.756000      0.6605000       4.625000 0.9044000       4.886000      0.9629000     -0.2611000       1.321000
  1 1 1     -26  -21   24 o    2.377000      0.6912000       2.379000 0.9779000       2.374000      0.9771000      0.5428000E-02   1.382000
  1 1 1     -26  -20    1 o    6.521000      0.3437000       6.582000 0.4595000       6.459000      0.5112000      0.1229000      0.6874000
  1 1 1     -26  -20    2 o    2.570000      0.8704000       2.570000 0.8704000                  ?              ?              ?              ?
  1 1 1     -26  -20    3 o    5.997000      0.3851000       5.346000 0.5736000       6.648000      0.5141000      -1.302000      0.7702000
  1 1 1     -26  -20    4 o    10.80000      0.4018000                  ?       ?   10.80000      0.4018000                  ?              ?
  1 1 1     -26  -20    5 o    5.124000      0.4538000       5.152000 0.5979000       5.095000      0.6828000      0.5666000E-01  0.9076000
  1 1 1     -26  -20    6 o    8.179000      0.3163000       7.972000 0.4385000       8.386000      0.4560000     -0.4138000      0.6326000
  1 1 1     -26  -20    7 o    2.415000      0.6427000       1.996000 0.8549000       2.834000      0.9597000     -0.8372000       1.285000
  1 1 1     -26  -20    8 o    5.073000      0.4800000       4.700000 0.6942000       5.445000      0.6632000     -0.7453000      0.9600000
  1 1 1     -26  -20    9 o    4.363000      0.7593000       4.691000 1.112000       4.035000       1.035000      0.6567000       1.519000
  1 1 1     -26  -20   10 o    3.771000      0.6252000       2.636000 0.9723000       4.907000      0.7860000      -2.271000       1.250000
  1 1 1     -26  -20   11 o    8.142000      0.3575000       8.468000 0.4791000       7.817000      0.5308000      0.6501000      0.7151000
  1 1 1     -26  -20   12 o    4.024000      0.8016000       4.524000 0.9982000       3.524000       1.255000      0.9992000       1.603000
  1 1 1     -26  -20   13 o    5.061000      0.7518000       5.083000 0.9659000       5.039000       1.152000      0.4431000E-01   1.504000
  1 1 1     -26  -20   14 o    4.653000      0.5918000       4.790000 0.7785000       4.516000      0.8915000      0.2745000       1.184000
  1 1 1     -26  -20   15 o    3.595000      0.7118000       3.962000 0.9466000       3.228000       1.063000      0.7333000       1.424000
  1 1 1     -26  -20   16 o    2.737000      0.7278000       2.931000 1.033000       2.543000       1.026000      0.3886000       1.456000
  1 1 1     -26  -20   17 o    4.289000      0.6701000       5.199000 0.7784000       3.378000       1.091000       1.821000       1.340000
  1 1 1     -26  -20   18 o    4.380000      0.6778000       3.939000 1.008000       4.820000      0.9067000     -0.8805000       1.356000
  1 1 1     -26  -20   19 o    2.124000      0.6520000       1.555000 0.7574000       2.693000       1.062000      -1.139000       1.304000
  1 1 1     -26  -20   20 o    4.706000      0.6364000       4.381000 0.9710000       5.030000      0.8230000     -0.6491000       1.273000
  1 1 1     -26  -20   21 o    3.370000      0.7421000       3.140000 1.089000       3.599000       1.009000     -0.4598000       1.484000
  1 1 1     -26  -20   22 o    3.186000      0.8290000       2.973000 1.259000       3.399000       1.078000     -0.4267000       1.658000
  1 1 1     -26  -20   23 o    5.735000      0.5506000       6.658000 0.6272000       4.812000      0.9052000       1.846000       1.101000
  1 1 1     -26  -20   24 o    2.163000      0.6685000       2.083000 0.9179000       2.243000      0.9721000     -0.1602000       1.337000
  1 1 1     -26  -20   25 f    3.375000      0.6822000       2.633000 0.9979000       4.117000      0.9306000      -1.485000       1.364000
  1 1 1     -26  -19    1 o    4.990000      0.4210000       4.845000 0.5838000       5.136000      0.6068000     -0.2915000      0.8420000
  1 1 1     -26  -19    2 o    8.675000      0.2999000       8.445000 0.4195000       8.905000      0.4287000     -0.4598000      0.5998000
  1 1 1     -26  -19    3 f    4.502000      0.4880000       4.898000 0.5904000       4.105000      0.7773000      0.7939000      0.9761000
  1 1 1     -26  -19    4 o    4.021000      0.5253000       3.862000 0.7356000       4.181000      0.7500000     -0.3190000       1.051000
  1 1 1     -26  -19    5 o    3.094000      0.6300000       2.776000 0.8827000       3.412000      0.8992000     -0.6360000       1.260000
  1 1 1     -26  -19    6 o    8.308000      0.3086000       8.449000 0.4322000       8.166000      0.4405000      0.2827000      0.6171000
  1 1 1     -26  -19    7 o    3.243000      0.6383000       3.014000 0.9077000       3.472000      0.8977000     -0.4583000       1.277000
  1 1 1     -26  -19    8 o    8.031000      0.3147000       7.925000 0.4295000       8.137000      0.4600000     -0.2121000      0.6293000
  1 1 1     -26  -19    9 o    5.505000      0.4177000       4.690000 0.6392000       6.320000      0.5378000      -1.630000      0.8354000
  1 1 1     -26  -19   10 o    8.649000      0.4963000       8.436000 0.7523000       8.862000      0.6477000     -0.4253000      0.9927000
  1 1 1     -26  -19   11 o    5.291000      0.4969000       5.635000 0.6197000       4.947000      0.7769000      0.6878000      0.9938000
  1 1 1     -26  -19   12 o    6.284000      0.4472000       5.833000 0.6633000       6.735000      0.5999000     -0.9016000      0.8943000
  1 1 1     -26  -19   13 o    4.256000      0.8008000       4.690000 1.010000       3.821000       1.243000      0.8691000       1.602000
  1 1 1     -26  -19   14 o    4.867000      0.5912000       5.561000 0.7020000       4.173000      0.9514000       1.388000       1.182000
  1 1 1     -26  -19   15 o    2.597000      0.7091000       2.497000 0.9786000       2.696000       1.026000     -0.1982000       1.418000
  1 1 1     -26  -19   16 o    2.238000      0.6687000       1.995000 0.8744000       2.482000       1.012000     -0.4873000       1.337000
  1 1 1     -26  -19   17 f    3.236000      0.7303000       3.270000 1.020000       3.202000       1.046000      0.6815000E-01   1.461000
  1 1 1     -26  -19   18 o    3.770000      0.7230000       3.571000 1.023000       3.968000       1.022000     -0.3972000       1.446000
  1 1 1     -26  -19   19 o    3.283000      0.7530000       3.653000 1.037000       2.912000       1.092000      0.7411000       1.506000
  1 1 1     -26  -19   20 o    3.137000      0.6890000       2.170000 0.9523000       4.104000      0.9959000      -1.933000       1.378000
  1 1 1     -26  -19   21 o    2.804000      0.7426000       2.637000 1.044000       2.972000       1.056000     -0.3346000       1.485000
  1 1 1     -26  -19   22 o    5.903000      0.5017000       6.290000 0.6616000       5.516000      0.7545000      0.7737000       1.003000
  1 1 1     -26  -19   23 o    5.015000      0.5817000       4.879000 0.8313000       5.152000      0.8139000     -0.2729000       1.163000
  1 1 1     -26  -19   24 o    4.031000      0.6754000       4.410000 0.9035000       3.652000       1.004000      0.7578000       1.351000
  1 1 1     -26  -19   25 o    2.703000      0.7102000       2.397000 0.9757000       3.008000       1.032000     -0.6102000       1.420000
  1 1 1     -26  -18    1 o    8.859000      0.2904000       9.323000 0.3810000       8.394000      0.4385000      0.9283000      0.5809000
  1 1 1     -26  -18    2 o    8.151000      0.3034000       8.042000 0.4100000       8.261000      0.4473000     -0.2188000      0.6068000
  1 1 1     -26  -18    3 o    5.527000      0.4247000       6.449000 0.4553000       4.604000      0.7171000       1.845000      0.8495000
  1 1 1     -26  -18    4 o    7.872000      0.3062000       8.160000 0.4201000       7.583000      0.4456000      0.5775000      0.6124000
  1 1 1     -26  -18    5 o    2.314000      0.6233000       2.280000 0.8781000       2.348000      0.8850000     -0.6783000E-01   1.247000
  1 1 1     -26  -18    6 o    4.492000      0.5062000       4.053000 0.7637000       4.932000      0.6646000     -0.8788000       1.012000
  1 1 1     -26  -18    7 o    8.466000      0.3097000       8.354000 0.4202000       8.578000      0.4550000     -0.2231000      0.6194000
  1 1 1     -26  -18    8 o    5.034000      0.4531000       5.222000 0.5861000       4.846000      0.6912000      0.3761000      0.9062000
  1 1 1     -26  -18    9 o    2.856000      0.6612000       2.991000 0.9328000       2.721000      0.9373000      0.2703000       1.322000
  1 1 1     -26  -18   10 o    8.927000      0.4836000       8.589000 0.7191000       9.266000      0.6468000     -0.6765000      0.9672000
  1 1 1     -26  -18   11 o    2.090000      0.6809000       2.206000 1.010000       1.975000      0.9132000      0.2313000       1.362000
  1 1 1     -26  -18   12 o    2.930000      0.6530000       3.537000 0.9090000       2.322000      0.9377000       1.215000       1.306000
  1 1 1     -26  -18   13 o    3.577000      0.6002000       2.989000 0.9376000       4.164000      0.7495000      -1.174000       1.200000
  1 1 1     -26  -18   14 o    5.352000      0.7325000       5.246000 0.9608000       5.459000       1.106000     -0.2126000       1.465000
  1 1 1     -26  -18   15 o    5.997000      0.4782000       5.954000 0.6623000       6.040000      0.6900000     -0.8565000E-01  0.9564000
  1 1 1     -26  -18   16 o    1.905000      0.6124000       1.961000 0.8732000       1.850000      0.8590000      0.1109000       1.225000
  1 1 1     -26  -18   17 o    5.028000      0.5769000       4.987000 0.8077000       5.070000      0.8241000     -0.8303000E-01   1.154000
  1 1 1     -26  -18   18 o    3.369000      0.7510000       3.630000 1.040000       3.108000       1.083000      0.5218000       1.502000
  1 1 1     -26  -18   19 o    11.05000      0.3436000       11.39000 0.4700000       10.70000      0.5014000      0.6867000      0.6872000
  1 1 1     -26  -18   20 o    3.801000      0.7064000       3.397000 1.034000       4.205000      0.9632000     -0.8087000       1.413000
  1 1 1     -26  -18   21 o    6.291000      0.4791000       6.431000 0.6600000       6.152000      0.6946000      0.2790000      0.9581000
  1 1 1     -26  -18   22 o    6.513000      0.4568000       6.773000 0.6377000       6.252000      0.6542000      0.5208000      0.9136000
  1 1 1     -26  -18   23 o    4.034000      0.6577000       5.031000 0.8168000       3.037000       1.031000       1.994000       1.315000
  1 1 1     -26  -18   24 o    6.872000      0.4485000       7.365000 0.5991000       6.378000      0.6676000      0.9863000      0.8970000
  1 1 1     -26  -18   25 f    2.969000      0.7104000       3.410000 1.023000       2.529000      0.9859000      0.8814000       1.421000
  1 1 1     -26  -18   26 o    3.873000      0.7077000       4.164000 0.9660000       3.583000       1.034000      0.5809000       1.415000
  1 1 1     -26  -17    1 o    4.405000      0.4711000       4.777000 0.5678000       4.032000      0.7518000      0.7453000      0.9421000
  1 1 1     -26  -17    2 o    9.021000      0.2908000       8.791000 0.4039000       9.250000      0.4184000     -0.4592000      0.5816000
  1 1 1     -26  -17    3 o    4.288000      0.6632000       4.288000 0.6632000                  ?              ?              ?              ?
  1 1 1     -26  -17    4 o    6.791000      0.3445000       6.790000 0.4781000       6.792000      0.4962000     -0.1496000E-02  0.6891000
  1 1 1     -26  -17    5 o    6.373000      0.5252000                  ?       ?   6.373000      0.5252000                  ?              ?
  1 1 1     -26  -17    6 o    8.952000      0.3014000       9.031000 0.4199000       8.872000      0.4326000      0.1597000      0.6029000
  1 1 1     -26  -17    7 o    10.44000      0.2878000       10.08000 0.4050000       10.80000      0.4089000     -0.7270000      0.5755000
  1 1 1     -26  -17    8 f    6.267000      0.3793000       6.642000 0.5128000       5.892000      0.5591000      0.7499000      0.7586000
  1 1 1     -26  -17    9 o    8.288000      0.3250000       8.286000 0.4492000       8.291000      0.4698000     -0.4972000E-02  0.6500000
  1 1 1     -26  -17   10 o    9.349000      0.3154000       9.704000 0.4287000       8.993000      0.4628000      0.7105000      0.6309000
  1 1 1     -26  -17   11 o    8.917000      0.4741000       9.215000 0.6876000       8.619000      0.6528000      0.5951000      0.9481000
  1 1 1     -26  -17   12 o    2.761000      0.6868000       2.524000 0.9363000       2.998000       1.005000     -0.4738000       1.374000
  1 1 1     -26  -17   13 o    3.255000      0.6536000       3.816000 0.8819000       2.693000      0.9649000       1.124000       1.307000
  1 1 1     -26  -17   14 o    3.338000      0.8352000       3.210000 1.112000       3.466000       1.247000     -0.2558000       1.670000
  1 1 1     -26  -17   15 o    2.560000      0.6818000       2.744000 0.9773000       2.375000      0.9510000      0.3684000       1.364000
  1 1 1     -26  -17   16 o    4.026000      0.6580000       3.909000 0.9108000       4.143000      0.9498000     -0.2337000       1.316000
  1 1 1     -26  -17   17 o    7.661000      0.3947000       7.702000 0.5518000       7.619000      0.5646000      0.8258000E-01  0.7895000
  1 1 1     -26  -17   18 o    5.705000      0.5224000       6.000000 0.6714000       5.410000      0.8005000      0.5904000       1.045000
  1 1 1     -26  -17   19 o    6.283000      0.4769000       6.816000 0.6036000       5.749000      0.7386000       1.068000      0.9539000
  1 1 1     -26  -17   20 o    2.064000      0.6461000       2.169000 0.9314000       1.959000      0.8957000      0.2107000       1.292000
  1 1 1     -26  -17   21 o    3.185000      0.6466000       4.234000 0.9039000       2.137000      0.9249000       2.097000       1.293000
  1 1 1     -26  -17   22 f    3.898000      0.6964000       3.598000 1.009000       4.198000      0.9604000     -0.5997000       1.393000
  1 1 1     -26  -17   23 o    5.917000      0.5077000       6.346000 0.6746000       5.488000      0.7589000      0.8581000       1.015000
  1 1 1     -26  -17   24 o    6.993000      0.4377000       7.191000 0.6122000       6.795000      0.6258000      0.3968000      0.8755000
  1 1 1     -26  -17   25 o    4.656000      0.6286000       4.232000 0.9367000       5.081000      0.8387000     -0.8486000       1.257000
  1 1 1     -26  -17   26 o    2.742000      0.6927000       3.247000 1.014000       2.237000      0.9437000       1.011000       1.385000
  1 1 1     -26  -16    1 o    6.343000      0.3487000       6.294000 0.4642000       6.392000      0.5203000     -0.9782000E-01  0.6973000
  1 1 1     -26  -16    2 o    7.870000      0.3051000       8.015000 0.4129000       7.725000      0.4492000      0.2901000      0.6101000
  1 1 1     -26  -16    3 o    1.515000      0.7030000       1.515000 0.7030000                  ?              ?              ?              ?
  1 1 1     -26  -16    4 o    4.475000      0.4759000       4.122000 0.7093000       4.828000      0.6347000     -0.7062000      0.9519000
  1 1 1     -26  -16    5 o    3.647000      0.8442000                  ?       ?   3.647000      0.8442000                  ?              ?
  1 1 1     -26  -16    6 o    7.585000      0.3293000       8.080000 0.4353000       7.090000      0.4941000      0.9899000      0.6585000
  1 1 1     -26  -16    7 o    6.627000      0.3606000       6.597000 0.5034000       6.656000      0.5165000     -0.5888000E-01  0.7212000
  1 1 1     -26  -16    8 o    14.29000      0.2890000       14.19000 0.4055000       14.40000      0.4120000     -0.2085000      0.5781000
  1 1 1     -26  -16    9 o    4.994000      0.4577000       5.231000 0.6037000       4.758000      0.6880000      0.4733000      0.9153000
  1 1 1     -26  -16   10 o    4.185000      0.5522000       3.548000 0.8541000       4.822000      0.7001000      -1.274000       1.104000
  1 1 1     -26  -16   11 o    3.509000      0.7366000       2.909000 1.095000       4.108000      0.9857000      -1.199000       1.473000
  1 1 1     -26  -16   12 o    6.214000      0.5591000       6.283000 0.8374000       6.146000      0.7410000      0.1367000       1.118000
  1 1 1     -26  -16   13 o    2.596000      0.6268000       3.333000 0.9290000       1.858000      0.8417000       1.474000       1.254000
  1 1 1     -26  -16   14 f    4.283000      0.6659000       3.624000 0.7776000       4.943000       1.081000      -1.319000       1.332000
  1 1 1     -26  -16   15 o    4.524000      0.7980000       4.624000 1.054000       4.423000       1.198000      0.2006000       1.596000
  1 1 1     -26  -16   16 o    3.300000      0.6925000       2.929000 0.9764000       3.671000      0.9823000     -0.7418000       1.385000
  1 1 1     -26  -16   17 o    7.432000      0.3977000       7.111000 0.5784000       7.752000      0.5459000     -0.6414000      0.7953000
  1 1 1     -26  -16   18 o    5.852000      0.5054000       5.164000 0.7646000       6.539000      0.6610000      -1.375000       1.011000
  1 1 1     -26  -16   19 o    6.685000      0.4484000       6.833000 0.6245000       6.537000      0.6436000      0.2961000      0.8967000
  1 1 1     -26  -16   20 o    3.809000      0.7141000       3.490000 1.033000       4.129000      0.9860000     -0.6394000       1.428000
  1 1 1     -26  -16   21 o    6.267000      0.4942000       6.732000 0.6449000       5.803000      0.7489000      0.9284000      0.9883000
  1 1 1     -26  -16   22 o    4.155000      0.6862000       4.604000 0.9245000       3.706000       1.014000      0.8972000       1.372000
  1 1 1     -26  -16   23 o    3.727000      0.7179000       4.148000 0.9710000       3.306000       1.058000      0.8428000       1.436000
  1 1 1     -26  -16   24 o    5.387000      0.5713000       6.258000 0.6688000       4.515000      0.9264000       1.743000       1.143000
  1 1 1     -26  -16   25 o    5.115000      0.5559000       5.623000 0.7190000       4.607000      0.8481000       1.016000       1.112000
  1 1 1     -26  -16   26 o    2.922000      0.6784000       3.707000 0.9891000       2.136000      0.9288000       1.571000       1.357000
  1 1 1     -26  -15    1 f    6.571000      0.3238000       6.801000 0.4337000       6.340000      0.4809000      0.4610000      0.6476000
  1 1 1     -26  -15    2 o    7.443000      0.3064000       7.079000 0.4349000       7.807000      0.4318000     -0.7282000      0.6128000
  1 1 1     -26  -15    3 o    9.278000      0.2820000       10.06000 0.3864000       8.492000      0.4107000       1.572000      0.5639000
  1 1 1     -26  -15    4 o    8.292000      0.3023000       8.158000 0.4264000       8.427000      0.4287000     -0.2699000      0.6046000
  1 1 1     -26  -15    5 o    2.497000      0.6176000       2.406000 0.8476000       2.589000      0.8984000     -0.1834000       1.235000
  1 1 1     -26  -15    6 o    10.35000      0.2801000       10.57000 0.3923000       10.12000      0.3998000      0.4510000      0.5601000
  1 1 1     -26  -15    7 o    10.54000      0.2849000       11.38000 0.3952000       9.697000      0.4104000       1.687000      0.5697000
  1 1 1     -26  -15    8 o    13.62000      0.2828000       13.46000 0.3960000       13.78000      0.4039000     -0.3133000      0.5657000
  1 1 1     -26  -15    9 o    2.492000      0.6411000       2.450000 0.8870000       2.535000      0.9259000     -0.8492000E-01   1.282000
  1 1 1     -26  -15   10 o    2.682000      0.6387000       3.006000 0.8968000       2.357000      0.9097000      0.6499000       1.277000
  1 1 1     -26  -15   11 o    7.075000      0.3546000       6.728000 0.5153000       7.422000      0.4873000     -0.6945000      0.7092000
  1 1 1     -26  -15   12 o    2.305000      0.7096000       2.371000 1.029000       2.239000      0.9777000      0.1314000       1.419000
  1 1 1     -26  -15   13 o    7.594000      0.3691000       7.692000 0.4997000       7.496000      0.5435000      0.1955000      0.7383000
  1 1 1     -26  -15   14 o    4.042000      0.6316000       4.590000 0.7854000       3.494000      0.9895000       1.097000       1.263000
  1 1 1     -26  -15   15 o    3.302000      0.8236000       2.664000 1.074000       3.939000       1.249000      -1.275000       1.647000
  1 1 1     -26  -15   16 o    4.888000      0.5699000       5.636000 0.6734000       4.139000      0.9196000       1.497000       1.140000
  1 1 1     -26  -15   17 o    2.166000      0.6552000       2.063000 0.9051000       2.269000      0.9475000     -0.2061000       1.310000
  1 1 1     -26  -15   18 o    6.633000      0.4504000       6.430000 0.6327000       6.836000      0.6413000     -0.4053000      0.9009000
  1 1 1     -26  -15   19 o    7.363000      0.4170000       7.527000 0.5692000       7.198000      0.6097000      0.3291000      0.8341000
  1 1 1     -26  -15   20 o    5.012000      0.5902000       4.191000 0.9407000       5.833000      0.7130000      -1.642000       1.180000
  1 1 1     -26  -15   21 o    4.388000      0.6642000       4.440000 0.9348000       4.336000      0.9439000      0.1041000       1.328000
  1 1 1     -26  -15   22 o    2.545000      0.7093000       2.798000 1.031000       2.292000      0.9742000      0.5067000       1.419000
  1 1 1     -26  -15   23 o    2.034000      0.6472000       1.985000 0.9034000       2.082000      0.9272000     -0.9662000E-01   1.294000
  1 1 1     -26  -15   24 o    2.415000      0.7016000       2.396000 0.9922000       2.434000      0.9921000     -0.3781000E-01   1.403000
  1 1 1     -26  -15   25 o    3.869000      0.6954000       3.736000 1.004000       4.003000      0.9623000     -0.2669000       1.391000
  1 1 1     -26  -15   26 o    2.279000      0.6667000       1.975000 0.8869000       2.584000      0.9956000     -0.6092000       1.333000
  1 1 1     -26  -14    1 o    5.336000      0.3859000       5.656000 0.4899000       5.016000      0.5965000      0.6407000      0.7719000
  1 1 1     -26  -14    2 o    10.54000      0.2683000       10.22000 0.3762000       10.87000      0.3827000     -0.6467000      0.5367000
  1 1 1     -26  -14    3 o    9.343000      0.2804000       9.332000 0.3850000       9.354000      0.4078000     -0.2127000E-01  0.5609000
  1 1 1     -26  -14    4 o    5.472000      0.3941000       5.705000 0.5084000       5.239000      0.6025000      0.4661000      0.7883000
  1 1 1     -26  -14    5 o    8.879000      0.3677000       9.534000 0.3948000       8.224000      0.6205000       1.310000      0.7354000
  1 1 1     -26  -14    6 o    12.12000      0.2765000       11.84000 0.3913000       12.39000      0.3907000     -0.5529000      0.5530000
  1 1 1     -26  -14    7 o    4.561000      0.4597000       4.255000 0.6855000       4.867000      0.6128000     -0.6118000      0.9194000
  1 1 1     -26  -14    8 o    6.225000      0.3547000       6.114000 0.5037000       6.336000      0.4995000     -0.2224000      0.7094000
  1 1 1     -26  -14    9 o    11.84000      0.2811000       11.91000 0.3978000       11.76000      0.3974000      0.1479000      0.5622000
  1 1 1     -26  -14   10 o    3.117000      0.6140000       3.734000 0.8035000       2.501000      0.9285000       1.233000       1.228000
  1 1 1     -26  -14   11 o    8.810000      0.3198000       8.848000 0.4444000       8.772000      0.4601000      0.7621000E-01  0.6396000
  1 1 1     -26  -14   12 o    6.879000      0.5285000       7.412000 0.7398000       6.346000      0.7549000       1.066000       1.057000
  1 1 1     -26  -14   13 o    7.310000      0.4281000       6.879000 0.5166000       7.740000      0.6827000     -0.8604000      0.8561000
  1 1 1     -26  -14   14 o    6.234000      0.4210000       6.307000 0.5780000       6.160000      0.6122000      0.1472000      0.8419000
  1 1 1     -26  -14   15 o    5.425000      0.6977000       5.225000 0.9606000       5.626000       1.012000     -0.4005000       1.395000
  1 1 1     -26  -14   16 o    5.512000      0.4986000       4.837000 0.7796000       6.187000      0.6218000      -1.350000      0.9972000
  1 1 1     -26  -14   17 o    11.94000      0.3232000       12.19000 0.4529000       11.68000      0.4612000      0.5092000      0.6464000
  1 1 1     -26  -14   18 f    3.065000      0.7203000       2.769000 1.012000       3.361000       1.025000     -0.5920000       1.441000
  1 1 1     -26  -14   19 o    3.349000      0.7191000       2.914000 1.022000       3.784000       1.012000     -0.8706000       1.438000
  1 1 1     -26  -14   20 o    5.745000      0.5396000       6.000000 0.7381000       5.490000      0.7872000      0.5096000       1.079000
  1 1 1     -26  -14   21 o    7.453000      0.4326000       7.432000 0.6265000       7.474000      0.5968000     -0.4243000E-01  0.8653000
  1 1 1     -26  -14   22 o    2.919000      0.7420000       2.683000 1.037000       3.155000       1.062000     -0.4715000       1.484000
  1 1 1     -26  -14   23 o    4.398000      0.6347000       5.634000 0.7161000       3.162000       1.048000       2.472000       1.269000
  1 1 1     -26  -14   24 o    6.525000      0.4741000       6.947000 0.6323000       6.103000      0.7066000      0.8439000      0.9482000
  1 1 1     -26  -14   25 o    3.607000      0.6784000       2.907000 1.028000       4.308000      0.8856000      -1.401000       1.357000
  1 1 1     -26  -14   26 o    4.046000      0.6229000       5.265000 0.7384000       2.827000       1.004000       2.439000       1.246000
  1 1 1     -26  -14   27 o    4.346000      0.7206000       3.294000 1.208000       5.397000      0.7862000      -2.103000       1.441000
  1 1 1     -26  -13    1 f    8.016000      0.2851000       7.716000 0.4024000       8.315000      0.4040000     -0.5983000      0.5702000
  1 1 1     -26  -13    2 o    9.303000      0.2729000       9.398000 0.3706000       9.209000      0.4006000      0.1895000      0.5458000
  1 1 1     -26  -13    3 o    9.172000      0.2809000       9.269000 0.3844000       9.074000      0.4098000      0.1952000      0.5618000
  1 1 1     -26  -13    4 o    2.616000      0.5951000       3.094000 0.8434000       2.138000      0.8397000      0.9561000       1.190000
  1 1 1     -26  -13    5 f    11.58000      0.2750000       12.05000 0.3906000       11.12000      0.3873000      0.9308000      0.5501000
  1 1 1     -26  -13    6 o    16.40000      0.2908000       15.95000 0.4043000       16.84000      0.4182000     -0.8871000      0.5817000
  1 1 1     -26  -13    7 o    4.547000      0.4649000       4.218000 0.6986000       4.877000      0.6135000     -0.6584000      0.9297000
  1 1 1     -26  -13    8 o    11.48000      0.2818000       11.25000 0.3938000       11.71000      0.4032000     -0.4594000      0.5636000
  1 1 1     -26  -13    9 o    11.27000      0.2799000       11.54000 0.3936000       11.00000      0.3981000      0.5398000      0.5598000
  1 1 1     -26  -13   10 o    2.878000      0.6415000       2.931000 0.8951000       2.825000      0.9193000      0.1063000       1.283000
  1 1 1     -26  -13   11 o    4.604000      0.5165000       5.099000 0.6419000       4.109000      0.8094000      0.9896000       1.033000
  1 1 1     -26  -13   12 o    6.966000      0.5194000       6.930000 0.7615000       7.002000      0.7065000     -0.7255000E-01   1.039000
  1 1 1     -26  -13   13 o    8.046000      0.4830000       7.860000 0.7086000       8.232000      0.6566000     -0.3717000      0.9661000
  1 1 1     -26  -13   14 o    10.39000      0.3193000       10.02000 0.4533000       10.76000      0.4499000     -0.7459000      0.6387000
  1 1 1     -26  -13   15 o    5.341000      0.7036000       4.025000 1.085000       6.658000      0.8961000      -2.633000       1.407000
  1 1 1     -26  -13   16 o    6.846000      0.5841000       6.800000 0.7639000       6.891000      0.8838000     -0.9010000E-01   1.168000
  1 1 1     -26  -13   17 o    14.04000      0.3163000       14.21000 0.4450000       13.87000      0.4496000      0.3330000      0.6326000
  1 1 1     -26  -13   18 o    2.693000      0.7082000       2.606000 0.9850000       2.780000       1.018000     -0.1737000       1.416000
  1 1 1     -26  -13   19 o    2.928000      0.7285000       2.553000 1.009000       3.302000       1.051000     -0.7484000       1.457000
  1 1 1     -26  -13   20 o    3.295000      0.7321000       3.693000 1.022000       2.897000       1.048000      0.7954000       1.464000
  1 1 1     -26  -13   21 o    10.51000      0.3438000       10.32000 0.4931000       10.71000      0.4792000     -0.3942000      0.6876000
  1 1 1     -26  -13   22 o    2.850000      0.7306000       2.921000 1.043000       2.780000       1.024000      0.1410000       1.461000
  1 1 1     -26  -13   23 o    4.425000      0.6422000       4.583000 0.8783000       4.267000      0.9371000      0.3159000       1.284000
  1 1 1     -26  -13   24 o    4.983000      0.5910000       4.757000 0.8570000       5.210000      0.8140000     -0.4529000       1.182000
  1 1 1     -26  -13   25 o    2.635000      0.7056000       2.320000 0.9815000       2.951000       1.014000     -0.6308000       1.411000
  1 1 1     -26  -13   26 o    5.962000      0.4770000       5.667000 0.7167000       6.258000      0.6296000     -0.5913000      0.9540000
  1 1 1     -26  -13   27 o    5.389000      0.5136000       5.387000 0.7129000       5.391000      0.7394000     -0.3250000E-02   1.027000
  1 1 1     -26  -12    1 o    1.972000      0.5613000       1.978000 0.7825000       1.966000      0.8050000      0.1183000E-01   1.123000
  1 1 1     -26  -12    2 o    5.204000      0.3803000       5.169000 0.5331000       5.238000      0.5426000     -0.6929000E-01  0.7607000
  1 1 1     -26  -12    3 o    4.064000      0.4775000       4.261000 0.6172000       3.866000      0.7287000      0.3951000      0.9550000
  1 1 1     -26  -12    4 o    2.389000      0.8443000       2.389000 0.8443000                  ?              ?              ?              ?
  1 1 1     -26  -12    5 o    8.996000      0.2843000       8.997000 0.3993000       8.995000      0.4048000      0.1468000E-02  0.5686000
  1 1 1     -26  -12    6 o    5.942000      0.5255000                  ?       ?   5.942000      0.5255000                  ?              ?
  1 1 1     -26  -12    7 o    8.177000      0.3068000       8.930000 0.4129000       7.423000      0.4539000       1.506000      0.6136000
  1 1 1     -26  -12    8 o    6.271000      0.3633000       6.472000 0.4912000       6.070000      0.5355000      0.4022000      0.7267000
  1 1 1     -26  -12    9 o    6.436000      0.3592000       6.313000 0.5180000       6.559000      0.4977000     -0.2452000      0.7183000
  1 1 1     -26  -12   10 o    11.20000      0.2882000       11.18000 0.4069000       11.23000      0.4083000     -0.4399000E-01  0.5764000
  1 1 1     -26  -12   11 o    10.71000      0.2967000       10.56000 0.4173000       10.87000      0.4218000     -0.3095000      0.5934000
  1 1 1     -26  -12   12 o    2.796000      0.5699000       2.094000 0.8113000       3.497000      0.8006000      -1.402000       1.140000
  1 1 1     -26  -12   13 f    8.716000      0.4628000       8.458000 0.6814000       8.973000      0.6264000     -0.5141000      0.9256000
  1 1 1     -26  -12   14 o    9.127000      0.3268000       9.151000 0.4568000       9.102000      0.4675000      0.4894000E-01  0.6536000
  1 1 1     -26  -12   15 o    4.169000      0.7693000       5.096000 0.9712000       3.243000       1.193000       1.853000       1.539000
  1 1 1     -26  -12   16 o    3.098000      0.7918000       3.588000 1.143000       2.609000       1.096000      0.9791000       1.584000
  1 1 1     -26  -12   17 o    12.80000      0.3140000       12.42000 0.4425000       13.18000      0.4457000     -0.7535000      0.6281000
  1 1 1     -26  -12   18 o    7.075000      0.4142000       7.649000 0.5382000       6.501000      0.6297000       1.147000      0.8284000
  1 1 1     -26  -12   19 o    9.324000      0.3582000       9.464000 0.5007000       9.183000      0.5124000      0.2811000      0.7164000
  1 1 1     -26  -12   20 f    4.624000      0.6131000       4.825000 0.8425000       4.424000      0.8910000      0.4017000       1.226000
  1 1 1     -26  -12   21 o    3.491000      0.7085000       3.357000 1.014000       3.624000      0.9900000     -0.2670000       1.417000
  1 1 1     -26  -12   22 o    2.682000      0.7088000       2.342000 0.9683000       3.022000       1.035000     -0.6797000       1.418000
  1 1 1     -26  -12   23 o    4.938000      0.6031000       4.046000 0.9789000       5.831000      0.7047000      -1.784000       1.206000
  1 1 1     -26  -12   24 o    2.140000      0.6575000       1.978000 0.8927000       2.301000      0.9655000     -0.3232000       1.315000
  1 1 1     -26  -12   25 o    3.946000      0.6883000       4.106000 0.9690000       3.786000      0.9777000      0.3200000       1.377000
  1 1 1     -26  -12   26 o    3.354000      0.7103000       3.991000 1.001000       2.718000       1.008000       1.273000       1.421000
  1 1 1     -26  -12   27 o    4.430000      0.6355000       5.086000 0.7876000       3.774000      0.9975000       1.312000       1.271000
  1 1 1     -26  -11    1 o    2.790000      0.5738000       2.317000 0.8135000       3.264000      0.8095000     -0.9469000       1.148000
  1 1 1     -26  -11    2 o    2.171000      0.5818000       2.101000 0.8003000       2.242000      0.8446000     -0.1419000       1.164000
  1 1 1     -26  -11    3 o    2.125000      0.5839000       2.039000 0.8006000       2.211000      0.8502000     -0.1719000       1.168000
  1 1 1     -26  -11    4 o    9.185000      0.3923000       9.185000 0.3923000                  ?              ?              ?              ?
  1 1 1     -26  -11    5 f    1.928000      0.5703000       1.825000 0.7875000       2.031000      0.8251000     -0.2058000       1.141000
  1 1 1     -26  -11    6 o    11.90000      0.3952000                  ?       ?   11.90000      0.3952000                  ?              ?
  1 1 1     -26  -11    7 o    3.807000      0.5312000       3.932000 0.7300000       3.681000      0.7718000      0.2506000       1.062000
  1 1 1     -26  -11    8 o    7.828000      0.3148000       8.460000 0.4295000       7.196000      0.4604000       1.264000      0.6296000
  1 1 1     -26  -11    9 o    2.374000      0.6195000       2.379000 0.8734000       2.370000      0.8789000      0.9024000E-02   1.239000
  1 1 1     -26  -11   10 o    11.64000      0.2864000       11.42000 0.4041000       11.87000      0.4059000     -0.4473000      0.5727000
  1 1 1     -26  -11   11 o    16.34000      0.3034000       16.41000 0.4290000       16.27000      0.4292000      0.1436000      0.6068000
  1 1 1     -26  -11   12 f    5.171000      0.4536000       5.876000 0.5378000       4.466000      0.7307000       1.410000      0.9073000
  1 1 1     -26  -11   13 o    8.946000      0.4506000       9.486000 0.6314000       8.407000      0.6430000       1.079000      0.9012000
  1 1 1     -26  -11   14 o    10.77000      0.3103000       10.83000 0.4339000       10.71000      0.4437000      0.1199000      0.6206000
  1 1 1     -26  -11   15 o    4.541000      0.4747000       4.437000 0.7001000       4.646000      0.6413000     -0.2088000      0.9494000
  1 1 1     -26  -11   16 o    8.898000      0.4781000       8.251000 0.6525000       9.544000      0.6990000      -1.293000      0.9562000
  1 1 1     -26  -11   17 o    12.51000      0.3157000       12.32000 0.4455000       12.71000      0.4474000     -0.3915000      0.6314000
  1 1 1     -26  -11   18 o    7.113000      0.4215000       6.760000 0.6161000       7.467000      0.5755000     -0.7076000      0.8430000
  1 1 1     -26  -11   19 o    4.563000      0.6410000       5.448000 0.7665000       3.679000       1.028000       1.769000       1.282000
  1 1 1     -26  -11   20 o    15.31000      0.3255000       15.19000 0.4605000       15.43000      0.4601000     -0.2407000      0.6510000
  1 1 1     -26  -11   21 o    5.502000      0.5486000       5.230000 0.8175000       5.774000      0.7317000     -0.5436000       1.097000
  1 1 1     -26  -11   22 o    2.394000      0.6880000       2.637000 1.011000       2.152000      0.9335000      0.4848000       1.376000
  1 1 1     -26  -11   23 o    5.151000      0.5718000       5.665000 0.7375000       4.638000      0.8740000       1.027000       1.144000
  1 1 1     -26  -11   24 o    2.113000      0.6463000       1.804000 0.8382000       2.423000      0.9839000     -0.6188000       1.293000
  1 1 1     -26  -11   25 o    2.148000      0.6515000       2.411000 0.9832000       1.885000      0.8549000      0.5258000       1.303000
  1 1 1     -26  -11   26 o    3.832000      0.6797000       3.880000 0.9735000       3.785000      0.9490000      0.9556000E-01   1.359000
  1 1 1     -26  -11   27 o    2.673000      0.6974000       2.573000 0.9824000       2.773000      0.9901000     -0.2008000       1.395000
  1 1 1     -26  -10    1 o    13.87000      0.2669000       14.07000 0.3763000       13.67000      0.3786000      0.3905000      0.5338000
  1 1 1     -26  -10    2 o    6.604000      0.3150000       7.007000 0.4210000       6.202000      0.4687000      0.8043000      0.6300000
  1 1 1     -26  -10    3 o    4.055000      0.4989000       4.046000 0.6794000       4.064000      0.7308000     -0.1859000E-01  0.9978000
  1 1 1     -26  -10    4 o    13.26000      0.2723000       13.53000 0.3815000       12.99000      0.3885000      0.5357000      0.5445000
  1 1 1     -26  -10    5 f    3.618000      0.5291000       4.614000 0.6027000       2.623000      0.8698000       1.991000       1.058000
  1 1 1     -26  -10    6 o    2.278000      0.6148000       2.384000 0.8733000       2.171000      0.8655000      0.2138000       1.230000
  1 1 1     -26  -10    7 o    6.398000      0.3484000       5.704000 0.5314000       7.092000      0.4506000      -1.388000      0.6968000
  1 1 1     -26  -10    8 o    7.048000      0.3433000       7.701000 0.4517000       6.395000      0.5170000       1.305000      0.6865000
  1 1 1     -26  -10    9 o    1.842000      0.5637000       1.911000 0.8125000       1.772000      0.7816000      0.1391000       1.127000
  1 1 1     -26  -10   10 o    3.783000      0.5903000       3.743000 0.8244000       3.823000      0.8450000     -0.7994000E-01   1.181000
  1 1 1     -26  -10   11 o    16.03000      0.2990000       15.48000 0.4172000       16.57000      0.4284000      -1.096000      0.5980000
  1 1 1     -26  -10   12 o    7.758000      0.3421000       8.209000 0.4505000       7.308000      0.5151000      0.9010000      0.6843000
  1 1 1     -26  -10   13 o    10.25000      0.4232000       10.00000 0.6210000       10.50000      0.5750000     -0.5002000      0.8463000
  1 1 1     -26  -10   14 o    14.21000      0.3045000       13.86000 0.4317000       14.56000      0.4296000     -0.6974000      0.6090000
  1 1 1     -26  -10   15 o    5.101000      0.3819000       4.969000 0.5537000       5.234000      0.5262000     -0.2649000      0.7638000
  1 1 1     -26  -10   16 o    16.77000      0.4498000       16.33000 0.6191000       17.20000      0.6528000     -0.8755000      0.8996000
  1 1 1     -26  -10   17 o    15.95000      0.3167000       16.27000 0.4492000       15.63000      0.4466000      0.6360000      0.6335000
  1 1 1     -26  -10   18 o    2.240000      0.6570000       2.511000 0.9743000       1.969000      0.8817000      0.5420000       1.314000
  1 1 1     -26  -10   19 o    6.874000      0.4472000       7.598000 0.5745000       6.151000      0.6855000       1.447000      0.8944000
  1 1 1     -26  -10   20 o    11.40000      0.3265000       11.88000 0.4601000       10.93000      0.4633000      0.9465000      0.6529000
  1 1 1     -26  -10   21 o    5.769000      0.5109000       5.352000 0.7749000       6.187000      0.6662000     -0.8344000       1.022000
  1 1 1     -26  -10   22 o    3.743000      0.6815000       3.314000 1.030000       4.171000      0.8932000     -0.8565000       1.363000
  1 1 1     -26  -10   23 o    4.494000      0.6272000       4.925000 0.8203000       4.063000      0.9491000      0.8617000       1.254000
  1 1 1     -26  -10   24 o    3.350000      0.7250000       3.402000 1.025000       3.298000       1.026000      0.1044000       1.450000
  1 1 1     -26  -10   25 o    4.138000      0.6437000       3.768000 0.9898000       4.507000      0.8231000     -0.7389000       1.287000
  1 1 1     -26  -10   26 o    3.409000      0.7056000       3.083000 1.030000       3.735000      0.9648000     -0.6529000       1.411000
  1 1 1     -26  -10   27 o    3.732000      0.6791000       3.458000 0.9935000       4.006000      0.9261000     -0.5477000       1.358000
  1 1 1     -26   -9    1 f    12.42000      0.2617000       12.33000 0.3669000       12.50000      0.3734000     -0.1684000      0.5235000
  1 1 1     -26   -9    2 o    5.426000      0.3775000       5.689000 0.4950000       5.162000      0.5701000      0.5266000      0.7549000
  1 1 1     -26   -9    3 o    5.263000      0.3831000       5.107000 0.5460000       5.418000      0.5375000     -0.3115000      0.7662000
  1 1 1     -26   -9    4 o    2.696000      0.6091000       2.755000 0.8563000       2.636000      0.8665000      0.1195000       1.218000
  1 1 1     -26   -9    5 o    5.561000      0.3846000       5.483000 0.5317000       5.640000      0.5558000     -0.1578000      0.7692000
  1 1 1     -26   -9    6 o    7.233000      0.3107000       6.904000 0.4510000       7.563000      0.4274000     -0.6586000      0.6214000
  1 1 1     -26   -9    7 o    14.95000      0.2833000       14.83000 0.3999000       15.07000      0.4014000     -0.2392000      0.5666000
  1 1 1     -26   -9    8 o    9.894000      0.2824000       10.10000 0.3978000       9.685000      0.4009000      0.4175000      0.5648000
  1 1 1     -26   -9    9 o    11.51000      0.2754000       11.69000 0.3904000       11.32000      0.3885000      0.3719000      0.5507000
  1 1 1     -26   -9   10 o    10.97000      0.2833000       10.79000 0.3978000       11.15000      0.4034000     -0.3595000      0.5666000
  1 1 1     -26   -9   11 o    9.434000      0.2962000       9.590000 0.4133000       9.278000      0.4246000      0.3119000      0.5925000
  1 1 1     -26   -9   12 o    9.319000      0.3617000       9.945000 0.5929000       8.693000      0.4143000       1.252000      0.7234000
  1 1 1     -26   -9   13 o    14.21000      0.4094000       14.56000 0.5904000       13.87000      0.5673000      0.6955000      0.8188000
  1 1 1     -26   -9   14 o    16.86000      0.3123000       16.85000 0.4425000       16.86000      0.4409000     -0.8133000E-02  0.6247000
  1 1 1     -26   -9   15 o    5.118000      0.7074000       4.649000 1.014000       5.588000      0.9864000     -0.9384000       1.415000
  1 1 1     -26   -9   16 o    8.420000      0.4930000       8.175000 0.6877000       8.666000      0.7066000     -0.4913000      0.9860000
  1 1 1     -26   -9   17 o    15.27000      0.3128000       15.03000 0.4434000       15.50000      0.4413000     -0.4660000      0.6255000
  1 1 1     -26   -9   18 o    3.704000      0.6827000       3.795000 0.9668000       3.614000      0.9642000      0.1815000       1.365000
  1 1 1     -26   -9   19 f    2.680000      0.7114000       2.502000 0.9934000       2.858000       1.018000     -0.3560000       1.423000
  1 1 1     -26   -9   20 o    4.546000      0.6066000       4.519000 0.8718000       4.574000      0.8437000     -0.5539000E-01   1.213000
  1 1 1     -26   -9   21 o    8.978000      0.3716000       8.664000 0.5468000       9.291000      0.5035000     -0.6268000      0.7433000
  1 1 1     -26   -9   22 o    6.043000      0.4701000       6.354000 0.6460000       5.732000      0.6832000      0.6218000      0.9403000
  1 1 1     -26   -9   23 o    5.234000      0.5488000       5.362000 0.7685000       5.107000      0.7838000      0.2543000       1.098000
  1 1 1     -26   -9   24 o    4.354000      0.6065000       4.094000 0.9112000       4.614000      0.8006000     -0.5198000       1.213000
  1 1 1     -26   -9   25 f    3.352000      0.6916000       2.901000 1.007000       3.802000      0.9483000     -0.9011000       1.383000
  1 1 1     -26   -9   26 f    2.495000      0.6558000       3.144000 1.011000       1.847000      0.8359000       1.297000       1.312000
  1 1 1     -26   -9   27 o    4.252000      0.6402000       4.631000 0.8346000       3.873000      0.9711000      0.7581000       1.280000
  1 1 1     -26   -8    1 o    12.22000      0.2578000       12.05000 0.3612000       12.39000      0.3680000     -0.3408000      0.5156000
  1 1 1     -26   -8    2 o    9.683000      0.2608000       9.269000 0.3712000       10.10000      0.3664000     -0.8274000      0.5216000
  1 1 1     -26   -8    3 o    6.697000      0.3138000       6.299000 0.4544000       7.094000      0.4329000     -0.7955000      0.6276000
  1 1 1     -26   -8    4 o    5.954000      0.3392000       5.539000 0.4949000       6.369000      0.4640000     -0.8296000      0.6784000
  1 1 1     -26   -8    5 o    3.639000      0.7277000       3.639000 0.7277000                  ?              ?              ?              ?
  1 1 1     -26   -8    6 o    4.554000      0.4343000       4.719000 0.5986000       4.388000      0.6295000      0.3310000      0.8687000
  1 1 1     -26   -8    7 o    8.090000      0.4104000                  ?       ?   8.090000      0.4104000                  ?              ?
  1 1 1     -26   -8    8 o    5.018000      0.4075000       4.810000 0.5960000       5.227000      0.5558000     -0.4161000      0.8149000
  1 1 1     -26   -8    9 o    8.825000      0.2908000       8.830000 0.4092000       8.820000      0.4131000      0.9599000E-02  0.5815000
  1 1 1     -26   -8   10 o    8.716000      0.2995000       8.937000 0.4178000       8.496000      0.4291000      0.4414000      0.5989000
  1 1 1     -26   -8   11 o    7.330000      0.3313000       7.371000 0.4711000       7.289000      0.4658000      0.8216000E-01  0.6625000
  1 1 1     -26   -8   12 o    8.540000      0.4323000       8.189000 0.6263000       8.891000      0.5962000     -0.7024000      0.8647000
  1 1 1     -26   -8   13 o    10.21000      0.4195000       11.02000 0.5989000       9.409000      0.5875000       1.611000      0.8389000
  1 1 1     -26   -8   14 o    2.860000      0.6667000       3.243000 0.9551000       2.477000      0.9305000      0.7661000       1.333000
  1 1 1     -26   -8   15 o    10.72000      0.4382000       10.61000 0.6036000       10.83000      0.6353000     -0.2174000      0.8763000
  1 1 1     -26   -8   16 o    3.643000      0.8311000       3.859000 1.145000       3.427000       1.205000      0.4314000       1.662000
  1 1 1     -26   -8   17 o    8.505000      0.3545000       7.462000 0.5307000       9.548000      0.4701000      -2.086000      0.7089000
  1 1 1     -26   -8   18 o    13.37000      0.3150000       13.22000 0.4461000       13.52000      0.4448000     -0.2977000      0.6299000
  1 1 1     -26   -8   19 o    13.80000      0.3172000       13.49000 0.4437000       14.10000      0.4534000     -0.6112000      0.6344000
  1 1 1     -26   -8   20 o    6.154000      0.4611000       6.199000 0.6310000       6.110000      0.6726000      0.8866000E-01  0.9223000
  1 1 1     -26   -8   21 o    3.963000      0.6610000       3.937000 0.9486000       3.989000      0.9207000     -0.5152000E-01   1.322000
  1 1 1     -26   -8   22 o    3.632000      0.6336000       2.994000 0.9791000       4.269000      0.8044000      -1.275000       1.267000
  1 1 1     -26   -8   23 o    2.220000      0.6365000       2.766000 1.007000       1.673000      0.7782000       1.093000       1.273000
  1 1 1     -26   -8   24 o    2.461000      0.6781000       2.790000 1.006000       2.131000      0.9098000      0.6589000       1.356000
  1 1 1     -26   -8   25 o    3.860000      0.6633000       3.575000 0.9959000       4.144000      0.8764000     -0.5699000       1.327000
  1 1 1     -26   -8   26 o    2.828000      0.6100000       3.901000 0.9143000       1.755000      0.8076000       2.146000       1.220000
  1 1 1     -26   -7    1 o    6.758000      0.2982000       7.031000 0.3980000       6.484000      0.4441000      0.5472000      0.5964000
  1 1 1     -26   -7    2 o    11.99000      0.2580000       12.17000 0.3632000       11.82000      0.3666000      0.3498000      0.5160000
  1 1 1     -26   -7    3 o    5.369000      0.3559000       5.093000 0.5177000       5.646000      0.4884000     -0.5521000      0.7118000
  1 1 1     -26   -7    4 o    5.034000      0.3877000       4.637000 0.5747000       5.430000      0.5207000     -0.7920000      0.7755000
  1 1 1     -26   -7    5 o    2.364000      0.8486000       2.364000 0.8486000                  ?              ?              ?              ?
  1 1 1     -26   -7    6 f    7.900000      0.2921000       7.827000 0.4126000       7.973000      0.4136000     -0.1465000      0.5842000
  1 1 1     -26   -7    7 o    9.602000      0.3890000                  ?       ?   9.602000      0.3890000                  ?              ?
  1 1 1     -26   -7    8 o    2.315000      0.5895000       2.539000 0.8508000       2.092000      0.8162000      0.4473000       1.179000
  1 1 1     -26   -7    9 o    7.042000      0.3226000       6.884000 0.4608000       7.200000      0.4517000     -0.3161000      0.6453000
  1 1 1     -26   -7   10 o    11.63000      0.2768000       12.07000 0.3945000       11.20000      0.3885000      0.8647000      0.5536000
  1 1 1     -26   -7   11 o    15.56000      0.2921000       15.81000 0.4126000       15.31000      0.4136000      0.4978000      0.5842000
  1 1 1     -26   -7   12 o    7.406000      0.4377000       7.784000 0.6263000       7.029000      0.6116000      0.7549000      0.8753000
  1 1 1     -26   -7   13 o    8.377000      0.3105000       7.975000 0.4480000       8.779000      0.4300000     -0.8037000      0.6210000
  1 1 1     -26   -7   14 o    3.098000      0.6343000       3.333000 0.8910000       2.864000      0.9030000      0.4693000       1.269000
  1 1 1     -26   -7   15 o    11.48000      0.4394000       11.94000 0.5945000       11.02000      0.6473000      0.9220000      0.8788000
  1 1 1     -26   -7   16 o    15.38000      0.3101000       15.27000 0.4391000       15.49000      0.4379000     -0.2253000      0.6201000
  1 1 1     -26   -7   17 o    5.675000      0.4495000       5.844000 0.6065000       5.506000      0.6635000      0.3384000      0.8989000
  1 1 1     -26   -7   18 o    9.471000      0.3335000       9.896000 0.4640000       9.046000      0.4792000      0.8500000      0.6671000
  1 1 1     -26   -7   19 o    12.60000      0.3106000       12.71000 0.4387000       12.49000      0.4397000      0.2207000      0.6212000
  1 1 1     -26   -7   20 o    4.055000      0.6091000       3.861000 0.8859000       4.250000      0.8362000     -0.3895000       1.218000
  1 1 1     -26   -7   21 o    6.598000      0.4210000       7.004000 0.5696000       6.191000      0.6200000      0.8130000      0.8420000
  1 1 1     -26   -7   22 o    2.650000      0.6938000       2.525000 0.9730000       2.774000      0.9895000     -0.2497000       1.388000
  1 1 1     -26   -7   23 o    3.653000      0.6707000       3.732000 0.9650000       3.574000      0.9318000      0.1577000       1.341000
  1 1 1     -26   -7   24 o    2.922000      0.7027000       2.862000 1.019000       2.981000      0.9682000     -0.1196000       1.405000
  1 1 1     -26   -7   25 o    4.192000      0.6174000       4.123000 0.8888000       4.262000      0.8572000     -0.1387000       1.235000
  1 1 1     -26   -7   26 o    2.199000      0.6394000       2.235000 0.9088000       2.163000      0.8997000      0.7192000E-01   1.279000
  1 1 1     -26   -6    1 o    10.14000      0.2535000       10.03000 0.3615000       10.26000      0.3553000     -0.2373000      0.5069000
  1 1 1     -26   -6    2 o    9.807000      0.2571000       9.877000 0.3582000       9.738000      0.3690000      0.1398000      0.5143000
  1 1 1     -26   -6    3 o    6.162000      0.3138000       6.434000 0.4310000       5.891000      0.4562000      0.5432000      0.6276000
  1 1 1     -26   -6    4 o    2.272000      0.5595000       2.640000 0.8074000       1.905000      0.7748000      0.7350000       1.119000
  1 1 1     -26   -6    5 f    5.209000      0.3852000       5.080000 0.5517000       5.338000      0.5376000     -0.2578000      0.7703000
  1 1 1     -26   -6    6 o    9.063000      0.2737000       9.235000 0.3864000       8.891000      0.3877000      0.3450000      0.5473000
  1 1 1     -26   -6    7 o    2.850000      0.5188000       1.757000 0.7783000       3.942000      0.6864000      -2.185000       1.038000
  1 1 1     -26   -6    8 o    2.724000      0.6042000       2.596000 0.8638000       2.852000      0.8452000     -0.2564000       1.208000
  1 1 1     -26   -6    9 o    6.440000      0.3475000       6.296000 0.5023000       6.584000      0.4804000     -0.2883000      0.6950000
  1 1 1     -26   -6   10 o    15.25000      0.2887000       15.12000 0.4076000       15.38000      0.4089000     -0.2604000      0.5774000
  1 1 1     -26   -6   11 o    14.79000      0.2882000       14.47000 0.4031000       15.11000      0.4121000     -0.6391000      0.5765000
  1 1 1     -26   -6   12 o    4.166000      0.6578000       4.415000 0.8907000       3.917000      0.9683000      0.4988000       1.316000
  1 1 1     -26   -6   13 o    3.022000      0.5964000       2.324000 0.8825000       3.719000      0.8024000      -1.396000       1.193000
  1 1 1     -26   -6   14 o    3.544000      0.6240000       3.491000 0.9189000       3.597000      0.8444000     -0.1057000       1.248000
  1 1 1     -26   -6   15 o    17.71000      0.4596000       18.02000 0.6417000       17.40000      0.6582000      0.6218000      0.9193000
  1 1 1     -26   -6   16 o    11.84000      0.3058000       11.77000 0.4330000       11.90000      0.4318000     -0.1273000      0.6115000
  1 1 1     -26   -6   17 o    4.621000      0.5426000       4.582000 0.7664000       4.660000      0.7684000     -0.7858000E-01   1.085000
  1 1 1     -26   -6   18 o    3.286000      0.6227000       4.264000 0.8365000       2.309000      0.9226000       1.955000       1.245000
  1 1 1     -26   -6   19 o    8.772000      0.3410000       8.774000 0.4875000       8.769000      0.4768000      0.4519000E-02  0.6819000
  1 1 1     -26   -6   20 o    5.863000      0.4733000       6.407000 0.6087000       5.319000      0.7248000       1.087000      0.9465000
  1 1 1     -26   -6   21 o    6.224000      0.4252000       5.684000 0.6385000       6.764000      0.5618000      -1.080000      0.8504000
  1 1 1     -26   -6   22 o    3.141000      0.6682000       2.567000 0.9621000       3.714000      0.9275000      -1.148000       1.336000
  1 1 1     -26   -6   23 o    4.380000      0.5954000       3.411000 0.9791000       5.348000      0.6777000      -1.937000       1.191000
  1 1 1     -26   -6   24 o    5.791000      0.4557000       5.399000 0.6931000       6.183000      0.5919000     -0.7840000      0.9115000
  1 1 1     -26   -6   25 o    2.580000      0.6451000       1.945000 0.8614000       3.215000      0.9605000      -1.270000       1.290000
  1 1 1     -26   -6   26 o    2.218000      0.6355000       1.931000 0.8558000       2.506000      0.9397000     -0.5754000       1.271000
  1 1 1     -26   -5    1 o    15.21000      0.2699000       15.18000 0.3790000       15.25000      0.3844000     -0.6842000E-01  0.5398000
  1 1 1     -26   -5    2 o    7.691000      0.2712000       7.987000 0.3772000       7.396000      0.3897000      0.5908000      0.5423000
  1 1 1     -26   -5    3 o    6.761000      0.3037000       6.344000 0.4493000       7.178000      0.4087000     -0.8348000      0.6074000
  1 1 1     -26   -5    4 o    7.205000      0.2915000       7.190000 0.4039000       7.220000      0.4204000     -0.3024000E-01  0.5829000
  1 1 1     -26   -5    5 o    10.54000      0.2645000       10.66000 0.3766000       10.43000      0.3715000      0.2289000      0.5290000
  1 1 1     -26   -5    6 o    5.095000      0.3645000       5.046000 0.5042000       5.144000      0.5266000     -0.9765000E-01  0.7291000
  1 1 1     -26   -5    7 o    5.432000      0.3612000       5.060000 0.5332000       5.803000      0.4875000     -0.7427000      0.7224000
  1 1 1     -26   -5    8 o    3.305000      0.5393000       3.097000 0.7870000       3.513000      0.7376000     -0.4161000       1.079000
  1 1 1     -26   -5    9 o    8.783000      0.2866000       8.615000 0.4147000       8.952000      0.3958000     -0.3369000      0.5732000
  1 1 1     -26   -5   10 o    16.90000      0.2986000       17.09000 0.4247000       16.71000      0.4199000      0.3788000      0.5972000
  1 1 1     -26   -5   11 o    12.14000      0.2716000       11.78000 0.3834000       12.49000      0.3847000     -0.7162000      0.5432000
  1 1 1     -26   -5   12 o    2.534000      0.6687000       3.281000 1.048000       1.788000      0.8309000       1.492000       1.337000
  1 1 1     -26   -5   13 o    6.181000      0.3761000       6.483000 0.5295000       5.878000      0.5342000      0.6052000      0.7522000
  1 1 1     -26   -5   14 o    6.886000      0.5458000       6.151000 0.8352000       7.620000      0.7028000      -1.469000       1.092000
  1 1 1     -26   -5   15 o    4.784000      0.7368000       5.265000 0.9572000       4.303000       1.120000      0.9626000       1.474000
  1 1 1     -26   -5   16 o    4.882000      0.4885000       4.993000 0.6836000       4.770000      0.6981000      0.2237000      0.9771000
  1 1 1     -26   -5   17 o    5.804000      0.4274000       5.880000 0.5871000       5.728000      0.6212000      0.1516000      0.8547000
  1 1 1     -26   -5   18 o    9.094000      0.3269000       9.176000 0.4607000       9.011000      0.4639000      0.1653000      0.6537000
  1 1 1     -26   -5   19 f    9.452000      0.3287000       9.672000 0.4551000       9.233000      0.4745000      0.4390000      0.6575000
  1 1 1     -26   -5   20 o    5.242000      0.5164000       5.226000 0.7335000       5.258000      0.7271000     -0.3241000E-01   1.033000
  1 1 1     -26   -5   21 o    2.801000      0.6642000       3.152000 0.9422000       2.450000      0.9364000      0.7018000       1.328000
  1 1 1     -26   -5   22 o    4.926000      0.5253000       5.362000 0.6913000       4.489000      0.7910000      0.8732000       1.051000
  1 1 1     -26   -5   23 o    3.176000      0.6731000       3.402000 0.9385000       2.949000      0.9651000      0.4522000       1.346000
  1 1 1     -26   -5   24 o    4.609000      0.5932000       3.881000 0.9449000       5.338000      0.7173000      -1.458000       1.186000
  1 1 1     -26   -5   25 o    4.175000      0.6214000       4.065000 0.9049000       4.285000      0.8519000     -0.2195000       1.243000
  1 1 1     -26   -5   26 o    2.441000      0.6362000       2.918000 0.9425000       1.965000      0.8547000      0.9527000       1.272000
  1 1 1     -26   -4    1 o    1.683000      0.5077000       1.618000 0.7032000       1.748000      0.7326000     -0.1295000       1.015000
  1 1 1     -26   -4    2 o    2.653000      0.5263000       2.010000 0.7777000       3.297000      0.7093000      -1.286000       1.053000
  1 1 1     -26   -4    3 o    15.11000      0.2697000       15.14000 0.3818000       15.09000      0.3811000      0.4965000E-01  0.5395000
  1 1 1     -26   -4    4 o    9.261000      0.2663000       8.948000 0.3776000       9.574000      0.3756000     -0.6266000      0.5326000
  1 1 1     -26   -4    5 o    7.920000      0.2805000       8.253000 0.3951000       7.587000      0.3984000      0.6652000      0.5611000
  1 1 1     -26   -4    6 o    7.294000      0.2881000       7.813000 0.4184000       6.775000      0.3962000       1.037000      0.5762000
  1 1 1     -26   -4    7 o    8.886000      0.2842000       8.949000 0.4047000       8.823000      0.3991000      0.1262000      0.5684000
  1 1 1     -26   -4    8 o    2.624000      0.6383000       3.184000 0.9910000       2.065000      0.8049000       1.119000       1.277000
  1 1 1     -26   -4    9 o    9.170000      0.2896000       9.071000 0.4138000       9.268000      0.4052000     -0.1966000      0.5792000
  1 1 1     -26   -4   10 o    10.60000      0.2822000       11.20000 0.3961000       9.991000      0.4020000       1.213000      0.5644000
  1 1 1     -26   -4   11 o    1.693000      0.5636000       1.693000 0.8028000       1.694000      0.7914000     -0.1152000E-02   1.127000
  1 1 1     -26   -4   12 o    4.380000      0.5079000       4.101000 0.7498000       4.659000      0.6854000     -0.5580000       1.016000
  1 1 1     -26   -4   13 o    2.523000      0.5916000       1.771000 0.7892000       3.275000      0.8816000      -1.504000       1.183000
  1 1 1     -26   -4   14 o    9.406000      0.4587000       9.285000 0.6448000       9.526000      0.6527000     -0.2408000      0.9175000
  1 1 1     -26   -4   15 o    6.489000      0.3897000       6.241000 0.5616000       6.736000      0.5405000     -0.4954000      0.7795000
  1 1 1     -26   -4   16 o    6.516000      0.3945000       6.623000 0.5476000       6.408000      0.5679000      0.2142000      0.7889000
  1 1 1     -26   -4   17 o    4.262000      0.5794000       4.238000 0.8269000       4.286000      0.8119000     -0.4816000E-01   1.159000
  1 1 1     -26   -4   18 o    5.448000      0.4657000       5.413000 0.6691000       5.483000      0.6480000     -0.6982000E-01  0.9315000
  1 1 1     -26   -4   19 o    4.039000      0.5740000       3.641000 0.8761000       4.438000      0.7419000     -0.7964000       1.148000
  1 1 1     -26   -4   20 o    3.799000      0.5863000       2.884000 0.9373000       4.714000      0.7044000      -1.830000       1.173000
  1 1 1     -26   -4   21 o    3.078000      0.6874000       3.346000 0.9730000       2.811000      0.9713000      0.5349000       1.375000
  1 1 1     -26   -4   22 o    3.382000      0.6685000       2.898000 0.9802000       3.866000      0.9093000     -0.9681000       1.337000
  1 1 1     -26   -4   23 o    3.003000      0.6871000       2.962000 0.9797000       3.044000      0.9635000     -0.8223000E-01   1.374000
  1 1 1     -26   -4   24 o    4.041000      0.6009000       4.322000 0.8273000       3.759000      0.8716000      0.5621000       1.202000
  1 1 1     -26   -4   25 o    4.612000      0.5156000       4.554000 0.7422000       4.670000      0.7157000     -0.1164000       1.031000
  1 1 1     -26   -4   26 o    2.742000      0.6134000       1.747000 0.7604000       3.737000      0.9628000      -1.990000       1.227000
  1 1 1     -26   -3    1 o    9.777000      0.2452000       9.557000 0.3478000       9.996000      0.3458000     -0.4387000      0.4905000
  1 1 1     -26   -3    2 o    5.919000      0.3069000       5.561000 0.4550000       6.277000      0.4120000     -0.7160000      0.6138000
  1 1 1     -26   -3    3 o    10.92000      0.2492000       10.77000 0.3486000       11.07000      0.3561000     -0.3030000      0.4984000
  1 1 1     -26   -3    4 o    6.169000      0.3181000       6.076000 0.4515000       6.263000      0.4483000     -0.1866000      0.6362000
  1 1 1     -26   -3    5 o    7.857000      0.2805000       7.856000 0.3899000       7.858000      0.4034000     -0.2339000E-02  0.5610000
  1 1 1     -26   -3    6 o    13.21000      0.3818000       13.21000 0.3818000                  ?              ?              ?              ?
  1 1 1     -26   -3    7 o    8.958000      0.2806000       9.027000 0.3940000       8.888000      0.3996000      0.1386000      0.5612000
  1 1 1     -26   -3    8 o    2.985000      0.7961000                  ?       ?   2.985000      0.7961000                  ?              ?
  1 1 1     -26   -3    9 o    9.101000      0.2857000       9.130000 0.4041000       9.073000      0.4039000      0.5627000E-01  0.5713000
  1 1 1     -26   -3   10 o    5.618000      0.3965000       5.598000 0.5589000       5.637000      0.5626000     -0.3926000E-01  0.7930000
  1 1 1     -26   -3   11 o    8.116000      0.3932000       8.153000 0.5765000       8.080000      0.5347000      0.7291000E-01  0.7863000
  1 1 1     -26   -3   12 o    3.328000      0.5587000       3.798000 0.7349000       2.858000      0.8418000      0.9398000       1.117000
  1 1 1     -26   -3   13 o    3.015000      0.7462000       2.249000 0.9968000       3.781000       1.111000      -1.533000       1.492000
  1 1 1     -26   -3   14 o    7.097000      0.5437000       6.602000 0.8002000       7.593000      0.7362000     -0.9918000       1.087000
  1 1 1     -26   -3   15 o    11.34000      0.2987000       11.32000 0.4189000       11.35000      0.4258000     -0.2929000E-01  0.5974000
  1 1 1     -26   -3   16 o    8.822000      0.3286000       8.918000 0.4602000       8.726000      0.4691000      0.1919000      0.6572000
  1 1 1     -26   -3   17 o    2.757000      0.6759000       2.951000 0.9655000       2.564000      0.9461000      0.3870000       1.352000
  1 1 1     -26   -3   18 o    2.614000      0.6683000       2.621000 0.9419000       2.607000      0.9484000      0.1465000E-01   1.337000
  1 1 1     -26   -3   19 o    4.486000      0.5737000       4.663000 0.7880000       4.309000      0.8340000      0.3538000       1.147000
  1 1 1     -26   -3   20 o    4.515000      0.5621000       4.440000 0.8278000       4.589000      0.7606000     -0.1489000       1.124000
  1 1 1     -26   -3   21 o    2.948000      0.5341000       1.634000 0.7613000       4.262000      0.7492000      -2.628000       1.068000
  1 1 1     -26   -3   22 o    4.650000      0.5207000       5.337000 0.6620000       3.962000      0.8040000       1.375000       1.041000
  1 1 1     -26   -3   23 o    2.416000      0.6692000       2.257000 0.9279000       2.576000      0.9646000     -0.3186000       1.338000
  1 1 1     -26   -3   24 o    2.526000      0.6709000       2.893000 0.9878000       2.160000      0.9082000      0.7323000       1.342000
  1 1 1     -26   -3   25 o    2.729000      0.6501000       3.015000 0.9316000       2.444000      0.9070000      0.5711000       1.300000
  1 1 1     -26   -2    1 o    9.267000      0.2509000       9.363000 0.3506000       9.171000      0.3589000      0.1916000      0.5018000
  1 1 1     -26   -2    2 o    12.61000      0.2552000       12.61000 0.3625000       12.61000      0.3594000      0.1481000E-02  0.5104000
  1 1 1     -26   -2    3 o    2.788000      0.5403000       2.784000 0.7728000       2.792000      0.7552000     -0.8603000E-02   1.081000
  1 1 1     -26   -2    4 o    9.134000      0.2628000       9.029000 0.3725000       9.239000      0.3707000     -0.2098000      0.5255000
  1 1 1     -26   -2    5 o    7.724000      0.2859000       7.153000 0.4203000       8.295000      0.3878000      -1.142000      0.5719000
  1 1 1     -26   -2    6 o    2.285000      0.5638000       2.556000 0.8342000       2.014000      0.7587000      0.5417000       1.128000
  1 1 1     -26   -2    7 o    2.387000      0.5571000       1.909000 0.7807000       2.865000      0.7948000     -0.9565000       1.114000
  1 1 1     -26   -2    8 o    2.362000      0.5718000       1.858000 0.7571000       2.866000      0.8571000      -1.008000       1.144000
  1 1 1     -26   -2    9 o    4.797000      0.3746000       4.964000 0.5200000       4.630000      0.5392000      0.3336000      0.7491000
  1 1 1     -26   -2   10 o    2.260000      0.6469000       2.096000 0.8981000       2.424000      0.9313000     -0.3281000       1.294000
  1 1 1     -26   -2   11 o    3.393000      0.5956000       3.382000 0.8441000       3.403000      0.8406000     -0.2051000E-01   1.191000
  1 1 1     -26   -2   12 o    9.482000      0.2908000       8.949000 0.4105000       10.02000      0.4119000      -1.066000      0.5816000
  1 1 1     -26   -2   13 o    3.799000      0.7905000       3.920000 1.108000       3.677000       1.127000      0.2428000       1.581000
  1 1 1     -26   -2   14 o    6.364000      0.3670000       6.509000 0.5182000       6.220000      0.5199000      0.2887000      0.7340000
  1 1 1     -26   -2   15 o    4.620000      0.5226000       5.380000 0.6160000       3.861000      0.8444000       1.519000       1.045000
  1 1 1     -26   -2   16 o    8.793000      0.3318000       8.579000 0.4713000       9.007000      0.4671000     -0.4275000      0.6636000
  1 1 1     -26   -2   17 o    2.256000      0.6245000       1.996000 0.8415000       2.517000      0.9230000     -0.5209000       1.249000
  1 1 1     -26   -2   18 o    5.685000      0.4516000       5.749000 0.6297000       5.621000      0.6475000      0.1282000      0.9032000
  1 1 1     -26   -2   19 o    10.33000      0.3221000       10.60000 0.4477000       10.06000      0.4633000      0.5422000      0.6442000
  1 1 1     -26   -2   20 o    7.339000      0.3731000       7.670000 0.5176000       7.008000      0.5376000      0.6619000      0.7463000
  1 1 1     -26   -2   21 o    2.790000      0.6849000       2.897000 0.9756000       2.683000      0.9615000      0.2140000       1.370000
  1 1 1     -26   -2   22 o    2.549000      0.6496000       2.110000 0.8905000       2.989000      0.9459000     -0.8782000       1.299000
  1 1 1     -26   -2   23 o    5.215000      0.4945000       5.160000 0.7069000       5.271000      0.6916000     -0.1106000      0.9890000
  1 1 1     -26   -2   24 o    1.666000      0.5418000       1.853000 0.8238000       1.479000      0.7040000      0.3744000       1.084000
  1 1 1     -26   -2   25 o    2.249000      0.6244000       2.390000 0.9162000       2.108000      0.8487000      0.2814000       1.249000
  1 1 1     -26   -1    1 f    4.487000      0.3661000       4.239000 0.5231000       4.735000      0.5125000     -0.4962000      0.7323000
  1 1 1     -26   -1    2 o    8.616000      0.2516000       8.634000 0.3508000       8.597000      0.3606000      0.3739000E-01  0.5031000
  1 1 1     -26   -1    3 o    6.281000      0.2968000       6.138000 0.4355000       6.423000      0.4034000     -0.2856000      0.5936000
  1 1 1     -26   -1    4 o    8.763000      0.2617000       8.856000 0.3701000       8.669000      0.3700000      0.1862000      0.5233000
  1 1 1     -26   -1    5 o    5.276000      0.3499000       5.057000 0.4986000       5.495000      0.4909000     -0.4380000      0.6997000
  1 1 1     -26   -1    6 o    3.704000      0.4765000       3.766000 0.6706000       3.642000      0.6770000      0.1242000      0.9530000
  1 1 1     -26   -1    7 o    10.85000      0.2711000       10.72000 0.3858000       10.97000      0.3809000     -0.2579000      0.5422000
  1 1 1     -26   -1    8 o    11.88000      0.2699000       12.02000 0.3802000       11.75000      0.3832000      0.2632000      0.5398000
  1 1 1     -26   -1    9 o    10.69000      0.3737000       10.67000 0.5308000       10.72000      0.5263000     -0.5165000E-01  0.7475000
  1 1 1     -26   -1   10 o    4.853000      0.5342000       5.003000 0.7964000       4.703000      0.7122000      0.2997000       1.068000
  1 1 1     -26   -1   11 o    2.452000      0.6140000       2.217000 0.8582000       2.686000      0.8783000     -0.4694000       1.228000
  1 1 1     -26   -1   12 o    3.864000      0.7875000       3.658000 1.128000       4.070000       1.099000     -0.4121000       1.575000
  1 1 1     -26   -1   13 o    9.652000      0.4572000       9.580000 0.6394000       9.725000      0.6537000     -0.1451000      0.9144000
  1 1 1     -26   -1   14 o    7.861000      0.3225000       8.365000 0.4393000       7.358000      0.4722000       1.007000      0.6450000
  1 1 1     -26   -1   15 o    9.081000      0.3220000       8.933000 0.4583000       9.229000      0.4524000     -0.2964000      0.6439000
  1 1 1     -26   -1   16 f    6.996000      0.3552000       6.814000 0.5139000       7.178000      0.4905000     -0.3637000      0.7105000
  1 1 1     -26   -1   17 o    7.700000      0.3643000       7.199000 0.5338000       8.201000      0.4959000      -1.003000      0.7286000
  1 1 1     -26   -1   18 o    5.974000      0.4172000       5.904000 0.5777000       6.043000      0.6021000     -0.1392000      0.8344000
  1 1 1     -26   -1   19 o    4.611000      0.5653000       4.294000 0.8271000       4.927000      0.7708000     -0.6328000       1.131000
  1 1 1     -26   -1   20 o    2.512000      0.6479000       2.774000 0.9280000       2.249000      0.9044000      0.5250000       1.296000
  1 1 1     -26   -1   21 o    3.234000      0.6582000       3.884000 0.8957000       2.584000      0.9646000       1.300000       1.316000
  1 1 1     -26   -1   22 o    3.473000      0.6048000       4.233000 0.7632000       2.714000      0.9383000       1.519000       1.210000
  1 1 1     -26   -1   23 o    3.382000      0.6865000       3.167000 0.9851000       3.596000      0.9564000     -0.4294000       1.373000
  1 1 1     -26   -1   24 o    4.314000      0.5625000       3.838000 0.8689000       4.790000      0.7144000     -0.9519000       1.125000
  1 1 1     -26    0    1 o    3.068000      0.5089000       2.526000 0.7815000       3.610000      0.6522000      -1.084000       1.018000
  1 1 1     -26    0    2 o    8.727000      0.2485000       8.645000 0.3569000       8.809000      0.3459000     -0.1632000      0.4970000
  1 1 1     -26    0    3 o    12.09000      0.2545000       12.59000 0.3635000       11.58000      0.3563000       1.003000      0.5090000
  1 1 1     -26    0    4 o    5.831000      0.3094000       5.818000 0.4496000       5.844000      0.4251000     -0.2562000E-01  0.6188000
  1 1 1     -26    0    5 o    6.810000      0.2940000       6.772000 0.4186000       6.848000      0.4129000     -0.7580000E-01  0.5880000
  1 1 1     -26    0    6 o    11.86000      0.2635000       11.84000 0.3656000       11.87000      0.3795000     -0.2695000E-01  0.5269000
  1 1 1     -26    0    7 o    16.53000      0.2868000       16.78000 0.4106000       16.28000      0.4006000      0.4960000      0.5736000
  1 1 1     -26    0    8 o    13.47000      0.2749000       13.30000 0.3851000       13.64000      0.3923000     -0.3401000      0.5498000
  1 1 1     -26    0    9 o    5.265000      0.4309000       5.277000 0.5856000       5.253000      0.6323000      0.2437000E-01  0.8618000
  1 1 1     -26    0   10 o    7.163000      0.3237000       7.388000 0.4501000       6.938000      0.4655000      0.4508000      0.6475000
  1 1 1     -26    0   11 o    13.22000      0.2785000       13.16000 0.3942000       13.29000      0.3935000     -0.1306000      0.5570000
  1 1 1     -26    0   12 o    12.12000      0.4245000       12.63000 0.5938000       11.62000      0.6069000       1.015000      0.8491000
  1 1 1     -26    0   13 o    14.10000      0.2885000       14.12000 0.4105000       14.08000      0.4054000      0.3950000E-01  0.5769000
  1 1 1     -26    0   14 o    10.48000      0.2979000       10.62000 0.4248000       10.35000      0.4178000      0.2685000      0.5958000
  1 1 1     -26    0   15 o    14.76000      0.2976000       14.27000 0.4211000       15.25000      0.4206000     -0.9777000      0.5952000
  1 1 1     -26    0   16 o    6.570000      0.3922000       6.791000 0.5465000       6.350000      0.5627000      0.4410000      0.7844000
  1 1 1     -26    0   17 o    7.214000      0.3554000       7.714000 0.4826000       6.713000      0.5219000       1.001000      0.7108000
  1 1 1     -26    0   18 o    2.458000      0.6333000       2.974000 0.9441000       1.942000      0.8444000       1.031000       1.267000
  1 1 1     -26    0   19 o    6.272000      0.3937000       6.693000 0.5565000       5.850000      0.5570000      0.8430000      0.7874000
  1 1 1     -26    0   20 o    3.964000      0.5609000       3.362000 0.8779000       4.567000      0.6985000      -1.205000       1.122000
  1 1 1     -26    0   21 o    6.061000      0.4165000       5.910000 0.6078000       6.212000      0.5696000     -0.3016000      0.8330000
  1 1 1     -26    0   22 o    3.621000      0.6007000       3.241000 0.9069000       4.001000      0.7881000     -0.7599000       1.201000
  1 1 1     -26    0   23 o    2.428000      0.6568000       2.134000 0.8994000       2.721000      0.9573000     -0.5868000       1.314000
  1 1 1     -26    0   24 o    3.249000      0.5674000       4.393000 0.7348000       2.105000      0.8649000       2.288000       1.135000
  1 1 1     -26    1    1 o    13.88000      0.2731000       14.16000 0.3706000       13.59000      0.4013000      0.5782000      0.5462000
  1 1 1     -26    1    2 o    1.916000      0.5556000       1.778000 0.7247000       2.054000      0.8422000     -0.2756000       1.111000
  1 1 1     -26    1    3 o    8.153000      0.2943000       8.233000 0.3777000       8.073000      0.4514000      0.1601000      0.5885000
  1 1 1     -26    1    4 o    1.806000      0.5371000       1.891000 0.7514000       1.721000      0.7676000      0.1705000       1.074000
  1 1 1     -26    1    5 o    11.95000      0.3384000       12.19000 0.3703000       11.71000      0.5665000      0.4752000      0.6768000
  1 1 1     -26    1    6 o    7.533000      0.2892000       7.594000 0.4126000       7.471000      0.4052000      0.1232000      0.5783000
  1 1 1     -26    1    7 o    2.868000      0.8403000       2.868000 0.8403000                  ?              ?              ?              ?
  1 1 1     -26    1    8 o    7.552000      0.3977000       7.740000 0.5704000       7.363000      0.5542000      0.3775000      0.7953000
  1 1 1     -26    1    9 o    7.840000      0.4156000                  ?       ?   7.840000      0.4156000                  ?              ?
  1 1 1     -26    1   10 o    8.631000      0.2874000       8.622000 0.4119000       8.640000      0.4009000     -0.1826000E-01  0.5748000
  1 1 1     -26    1   11 o    14.61000      0.4261000       14.89000 0.5996000       14.32000      0.6057000      0.5685000      0.8522000
  1 1 1     -26    1   12 o    14.31000      0.2871000       14.41000 0.4105000       14.22000      0.4015000      0.1828000      0.5742000
  1 1 1     -26    1   13 o    9.602000      0.3078000       9.757000 0.4364000       9.446000      0.4342000      0.3105000      0.6156000
  1 1 1     -26    1   14 o    9.102000      0.3020000       9.053000 0.4338000       9.152000      0.4203000     -0.9854000E-01  0.6040000
  1 1 1     -26    1   15 o    10.44000      0.3003000       10.73000 0.4267000       10.16000      0.4228000      0.5686000      0.6007000
  1 1 1     -26    1   16 o    1.787000      0.5651000       1.863000 0.8236000       1.710000      0.7741000      0.1526000       1.130000
  1 1 1     -26    1   17 o    2.326000      0.6145000       2.336000 0.8768000       2.315000      0.8611000      0.2098000E-01   1.229000
  1 1 1     -26    1   18 o    2.172000      0.6129000       1.927000 0.8443000       2.417000      0.8888000     -0.4902000       1.226000
  1 1 1     -26    1   19 o    2.954000      0.6012000       2.287000 0.8711000       3.621000      0.8290000      -1.334000       1.202000
  1 1 1     -26    1   20 o    3.229000      0.6102000       2.222000 0.9140000       4.236000      0.8086000      -2.014000       1.220000
  1 1 1     -26    1   21 o    3.134000      0.6113000       2.242000 0.9140000       4.027000      0.8120000      -1.785000       1.223000
  1 1 1     -26    1   22 o    4.023000      0.5645000       4.503000 0.7444000       3.543000      0.8488000      0.9602000       1.129000
  1 1 1     -26    1   23 o    4.235000      0.5803000       4.105000 0.8607000       4.365000      0.7787000     -0.2603000       1.161000
  1 1 1     -26    2    1 o    3.702000      0.5123000       3.890000 0.6110000       3.515000      0.8225000      0.3747000       1.025000
  1 1 1     -26    2    2 o    2.455000      0.5941000       1.980000 0.7764000       2.930000      0.8995000     -0.9499000       1.188000
  1 1 1     -26    2    3 o    8.377000      0.3014000       9.243000 0.3775000       7.511000      0.4699000       1.733000      0.6028000
  1 1 1     -26    2    4 o    4.744000      0.4369000       4.344000 0.6069000       5.145000      0.6286000     -0.8007000      0.8738000
  1 1 1     -26    2    5 o    11.83000      0.2798000       11.82000 0.3729000       11.83000      0.4172000     -0.1235000E-01  0.5595000
  1 1 1     -26    2    6 o    4.006000      0.5049000       3.689000 0.6693000       4.324000      0.7560000     -0.6349000       1.010000
  1 1 1     -26    2    7 o    6.988000      0.5899000       6.988000 0.5899000                  ?              ?              ?              ?
  1 1 1     -26    2    8 o    5.702000      0.4101000       5.833000 0.5246000       5.571000      0.6305000      0.2620000      0.8202000
  1 1 1     -26    2    9 o    3.956000      0.6548000       3.981000 0.9765000       3.931000      0.8725000      0.4953000E-01   1.310000
  1 1 1     -26    2   10 o    9.765000      0.4255000       10.10000 0.5805000       9.428000      0.6224000      0.6743000      0.8511000
  1 1 1     -26    2   11 o    6.944000      0.4492000       7.579000 0.4648000       6.309000      0.7688000       1.271000      0.8984000
  1 1 1     -26    2   12 o    10.30000      0.2925000       10.15000 0.4213000       10.45000      0.4059000     -0.3074000      0.5850000
  1 1 1     -26    2   13 o    6.860000      0.3585000       6.367000 0.5543000       7.354000      0.4547000     -0.9874000      0.7169000
  1 1 1     -26    2   14 o    10.77000      0.2936000       10.53000 0.4170000       11.02000      0.4135000     -0.4869000      0.5872000
  1 1 1     -26    2   15 o    2.360000      0.6355000       2.498000 0.9146000       2.221000      0.8827000      0.2774000       1.271000
  1 1 1     -26    2   16 o    5.392000      0.3958000       5.555000 0.5494000       5.228000      0.5698000      0.3276000      0.7915000
  1 1 1     -26    2   17 o    1.469000      0.4963000       1.333000 0.6540000       1.604000      0.7466000     -0.2712000      0.9925000
  1 1 1     -26    2   18 o    2.802000      0.6614000       2.879000 0.9437000       2.725000      0.9269000      0.1541000       1.323000
  1 1 1     -26    2   19 o    3.556000      0.5822000       3.487000 0.8313000       3.625000      0.8154000     -0.1389000       1.164000
  1 1 1     -26    2   20 o    6.302000      0.3851000       6.080000 0.5554000       6.525000      0.5337000     -0.4451000      0.7702000
  1 1 1     -26    2   21 o    4.273000      0.5674000       4.929000 0.6844000       3.617000      0.9051000       1.312000       1.135000
  1 1 1     -26    2   22 o    2.246000      0.5943000       1.714000 0.7831000       2.778000      0.8941000      -1.064000       1.189000
  1 1 1     -26    3    1 f    2.161000      0.5775000       1.664000 0.7079000       2.657000      0.9127000     -0.9929000       1.155000
  1 1 1     -26    3    2 o    6.880000      0.3252000       7.006000 0.4102000       6.755000      0.5047000      0.2513000      0.6503000
  1 1 1     -26    3    3 o    9.498000      0.2782000       9.395000 0.3762000       9.600000      0.4100000     -0.2044000      0.5565000
  1 1 1     -26    3    4 o    14.40000      0.2853000       14.42000 0.3901000       14.38000      0.4165000      0.3881000E-01  0.5707000
  1 1 1     -26    3    5 o    11.04000      0.2851000       10.64000 0.3733000       11.45000      0.4311000     -0.8113000      0.5702000
  1 1 1     -26    3    6 o    8.282000      0.4623000       7.860000 0.5502000       8.703000      0.7431000     -0.8423000      0.9246000
  1 1 1     -26    3    7 o    7.028000      0.3314000       7.389000 0.4081000       6.667000      0.5223000      0.7211000      0.6628000
  1 1 1     -26    3    8 o    6.627000      0.3811000       6.831000 0.4862000       6.424000      0.5870000      0.4071000      0.7622000
  1 1 1     -26    3    9 o    2.605000      0.7251000       2.807000 1.043000       2.404000       1.008000      0.4032000       1.450000
  1 1 1     -26    3   10 o    5.541000      0.5211000       5.975000 0.4992000       5.107000      0.9149000      0.8675000       1.042000
  1 1 1     -26    3   11 o    6.073000      0.4253000       5.764000 0.5851000       6.382000      0.6175000     -0.6184000      0.8506000
  1 1 1     -26    3   12 o    5.993000      0.4199000       5.073000 0.6267000       6.912000      0.5592000      -1.839000      0.8399000
  1 1 1     -26    3   13 f    8.844000      0.3204000       8.089000 0.4209000       9.598000      0.4833000      -1.509000      0.6409000
  1 1 1     -26    3   14 o    7.793000      0.3660000       7.866000 0.4805000       7.719000      0.5521000      0.1468000      0.7319000
  1 1 1     -26    3   15 o    4.814000      0.5131000       5.013000 0.5933000       4.615000      0.8373000      0.3985000       1.026000
  1 1 1     -26    3   16 o    3.498000      0.6259000       3.561000 0.7830000       3.435000      0.9767000      0.1260000       1.252000
  1 1 1     -26    3   17 o    4.774000      0.5525000       5.239000 0.6475000       4.310000      0.8954000      0.9290000       1.105000
  1 1 1     -26    3   18 o    2.752000      0.6069000       1.918000 0.8144000       3.585000      0.9001000      -1.667000       1.214000
  1 1 1     -26    3   19 o    7.540000      0.3482000       7.991000 0.4654000       7.088000      0.5181000      0.9028000      0.6964000
  1 1 1     -26    3   20 o    5.453000      0.6264000       5.859000 0.6208000       5.047000       1.088000      0.8118000       1.253000
  1 1 1     -26    3   21 f    4.106000      0.6595000       3.488000 0.8367000       4.724000       1.020000      -1.235000       1.319000
  1 1 1     -26    4    1 o    5.416000      0.3823000       5.617000 0.4627000       5.214000      0.6087000      0.4032000      0.7646000
  1 1 1     -26    4    2 o    3.084000      0.5700000       3.393000 0.6756000       2.775000      0.9181000      0.6180000       1.140000
  1 1 1     -26    4    3 o    7.380000      0.3213000       7.341000 0.4106000       7.420000      0.4943000     -0.7875000E-01  0.6426000
  1 1 1     -26    4    4 o    9.103000      0.2958000       9.178000 0.3843000       9.029000      0.4497000      0.1483000      0.5915000
  1 1 1     -26    4    5 o    4.737000      0.6650000       5.008000 0.7212000       4.465000       1.118000      0.5435000       1.330000
  1 1 1     -26    4    6 o    8.526000      0.3140000       8.662000 0.4043000       8.390000      0.4807000      0.2718000      0.6281000
  1 1 1     -26    4    7 o    2.146000      0.6208000       2.109000 0.8409000       2.183000      0.9135000     -0.7371000E-01   1.242000
  1 1 1     -26    4    8 o    2.953000      0.7363000       3.086000 1.021000       2.820000       1.061000      0.2666000       1.473000
  1 1 1     -26    4    9 o    8.145000      0.3964000       8.330000 0.4024000       7.960000      0.6831000      0.3702000      0.7928000
  1 1 1     -26    4   10 o    3.625000      0.6237000       3.857000 0.7617000       3.392000      0.9878000      0.4655000       1.247000
  1 1 1     -26    4   11 o    4.812000      0.4951000       5.017000 0.5843000       4.607000      0.7994000      0.4104000      0.9902000
  1 1 1     -26    4   12 o    2.799000      0.6109000       3.469000 0.8312000       2.129000      0.8956000       1.340000       1.222000
  1 1 1     -26    4   13 f    9.047000      0.3370000       9.133000 0.4273000       8.961000      0.5213000      0.1720000      0.6741000
  1 1 1     -26    4   14 o    2.356000      0.6479000       1.935000 0.8343000       2.778000      0.9916000     -0.8428000       1.296000
  1 1 1     -26    4   15 o    6.766000      0.3909000       6.849000 0.4822000       6.683000      0.6154000      0.1664000      0.7818000
  1 1 1     -26    4   16 o    2.210000      0.6004000       1.514000 0.7073000       2.905000      0.9704000      -1.391000       1.201000
  1 1 1     -26    4   17 o    6.223000      0.4181000       6.548000 0.5152000       5.899000      0.6585000      0.6497000      0.8361000
  1 1 1     -26    4   18 o    4.982000      0.4743000       4.767000 0.6938000       5.197000      0.6468000     -0.4293000      0.9486000
  1 1 1     -26    4   19 o    6.274000      0.3851000       6.618000 0.4956000       5.930000      0.5896000      0.6874000      0.7703000
  1 1 1     -26    4   20 o    1.819000      0.5672000       1.975000 0.8290000       1.664000      0.7745000      0.3108000       1.134000
  1 1 1     -26    4   21 o    3.558000      0.6200000       3.514000 0.8592000       3.601000      0.8942000     -0.8709000E-01   1.240000
  1 1 1     -26    5    1 o    5.264000      0.4057000       5.254000 0.5023000       5.274000      0.6372000     -0.2040000E-01  0.8114000
  1 1 1     -26    5    2 o    3.293000      0.5870000       2.859000 0.8266000       3.726000      0.8336000     -0.8668000       1.174000
  1 1 1     -26    5    3 o    2.967000      0.6148000       2.429000 0.8025000       3.505000      0.9316000      -1.077000       1.230000
  1 1 1     -26    5    4 o    2.284000      0.6851000       1.604000 0.7556000       2.965000       1.143000      -1.362000       1.370000
  1 1 1     -26    5    5 o    5.453000      0.4313000       5.477000 0.5254000       5.429000      0.6841000      0.4845000E-01  0.8626000
  1 1 1     -26    5    6 o    6.304000      0.3875000       6.344000 0.4895000       6.264000      0.6008000      0.7929000E-01  0.7750000
  1 1 1     -26    5    7 o    2.897000      0.7192000       2.483000 0.9577000       3.310000       1.073000     -0.8263000       1.438000
  1 1 1     -26    5    8 o    5.070000      0.5373000       5.070000 0.5373000                  ?              ?              ?              ?
  1 1 1     -26    5    9 o    4.566000      0.5123000       4.094000 0.7035000       5.037000      0.7448000     -0.9434000       1.025000
  1 1 1     -26    5   10 o    6.286000      0.6215000                  ?       ?   6.286000      0.6215000                  ?              ?
  1 1 1     -26    5   11 o    2.329000      0.6056000       2.868000 0.8976000       1.790000      0.8133000       1.078000       1.211000
  1 1 1     -26    5   12 o    4.202000      0.5474000       4.388000 0.6574000       4.015000      0.8754000      0.3730000       1.095000
  1 1 1     -26    5   13 o    5.457000      0.5077000       6.175000 0.5355000       4.740000      0.8628000       1.436000       1.015000
  1 1 1     -26    5   14 o    4.611000      0.5219000       4.218000 0.7320000       5.004000      0.7442000     -0.7852000       1.044000
  1 1 1     -26    5   15 o    5.131000      0.4624000       4.607000 0.6653000       5.654000      0.6423000      -1.047000      0.9247000
  1 1 1     -26    5   16 f    2.046000      0.6007000       2.021000 0.8251000       2.070000      0.8732000     -0.4876000E-01   1.201000
  1 1 1     -26    5   17 o    5.347000      0.4679000       4.899000 0.7102000       5.794000      0.6092000     -0.8942000      0.9357000
  1 1 1     -26    5   18 o    8.152000      0.3390000       8.324000 0.4642000       7.980000      0.4942000      0.3436000      0.6780000
  1 1 1     -26    5   19 o    4.504000      0.5224000       4.977000 0.6906000       4.031000      0.7841000      0.9459000       1.045000
  1 1 1     -26    5   20 o    3.443000      0.5714000       4.216000 0.6823000       2.670000      0.9169000       1.546000       1.143000
  1 1 1     -26    6    1 o    1.817000      0.5512000       1.835000 0.7554000       1.800000      0.8030000      0.3511000E-01   1.102000
  1 1 1     -26    6    2 f    1.528000      0.5020000       1.191000 0.5822000       1.865000      0.8179000     -0.6736000       1.004000
  1 1 1     -26    6    3 o    5.614000      0.5915000       4.985000 0.7492000       6.242000      0.9156000      -1.256000       1.183000
  1 1 1     -26    6    4 o    4.494000      0.5089000       4.508000 0.6344000       4.479000      0.7958000      0.2918000E-01   1.018000
  1 1 1     -26    6    5 o    8.400000      0.3209000       8.785000 0.3963000       8.014000      0.5047000      0.7711000      0.6417000
  1 1 1     -26    6    6 o    7.114000      0.4523000       6.849000 0.6202000       7.379000      0.6586000     -0.5300000      0.9046000
  1 1 1     -26    6    7 o    5.782000      0.4006000       5.488000 0.5247000       6.075000      0.6054000     -0.5876000      0.8011000
  1 1 1     -26    6    8 o    11.90000      0.3848000       11.90000 0.3848000                  ?              ?              ?              ?
  1 1 1     -26    6    9 o    3.932000      0.5904000       4.346000 0.6234000       3.518000       1.003000      0.8278000       1.181000
  1 1 1     -26    6   10 o    3.287000      0.6728000       3.272000 0.9510000       3.301000      0.9521000     -0.2834000E-01   1.346000
  1 1 1     -26    6   11 o    4.551000      0.5222000       4.397000 0.6975000       4.706000      0.7774000     -0.3088000       1.044000
  1 1 1     -26    6   12 o    6.283000      0.3984000       6.348000 0.5089000       6.217000      0.6130000      0.1309000      0.7968000
  1 1 1     -26    6   13 o    2.113000      0.6087000       2.091000 0.8149000       2.135000      0.9045000     -0.4372000E-01   1.217000
  1 1 1     -26    6   14 o    2.043000      0.6087000       1.671000 0.7580000       2.416000      0.9526000     -0.7449000       1.217000
  1 1 1     -26    6   15 o    3.000000      0.6344000       2.342000 0.8979000       3.658000      0.8964000      -1.316000       1.269000
  1 1 1     -26    6   16 o    4.210000      0.5610000       4.961000 0.6396000       3.460000      0.9219000       1.501000       1.122000
  1 1 1     -26    6   17 o    3.842000      0.5785000       4.369000 0.7317000       3.315000      0.8963000       1.055000       1.157000
  1 1 1     -26    6   18 o    6.771000      0.3955000       7.852000 0.4861000       5.690000      0.6240000       2.162000      0.7910000
  1 1 1     -26    6   19 o    3.016000      0.6359000       3.236000 0.9451000       2.797000      0.8511000      0.4387000       1.272000
  1 1 1     -26    7    1 o    4.988000      0.6249000       5.066000 0.7161000       4.910000       1.024000      0.1560000       1.250000
  1 1 1     -26    7    2 o    2.555000      0.7148000       2.653000 0.9647000       2.457000       1.055000      0.1965000       1.430000
  1 1 1     -26    7    3 o    3.020000      0.5810000       3.721000 0.7056000       2.319000      0.9233000       1.402000       1.162000
  1 1 1     -26    7    4 o    2.353000      0.6234000       2.409000 0.8394000       2.298000      0.9220000      0.1114000       1.247000
  1 1 1     -26    7    5 o    2.366000      0.6923000       2.532000 1.006000       2.199000      0.9516000      0.3337000       1.385000
  1 1 1     -26    7    6 o    3.068000      0.6313000       3.213000 0.8037000       2.923000      0.9737000      0.2906000       1.263000
  1 1 1     -26    7    7 o    3.904000      0.5585000       3.957000 0.6791000       3.851000      0.8869000      0.1065000       1.117000
  1 1 1     -26    7    8 f    10.23000      0.3088000       10.86000 0.3828000       9.595000      0.4847000       1.266000      0.6177000
  1 1 1     -26    7    9 o    4.030000      0.5926000       3.906000 0.7622000       4.154000      0.9077000     -0.2481000       1.185000
  1 1 1     -26    7   10 o    1.894000      0.5746000       2.259000 0.8790000       1.528000      0.7404000      0.7309000       1.149000
  1 1 1     -26    7   11 o    6.969000      0.3651000       7.458000 0.4613000       6.480000      0.5660000      0.9780000      0.7301000
  1 1 1     -26    7   12 o    3.353000      0.6104000       3.328000 0.8046000       3.378000      0.9181000     -0.4964000E-01   1.221000
  1 1 1     -26    7   13 o    3.168000      0.6367000       2.791000 0.8788000       3.546000      0.9215000     -0.7547000       1.273000
  1 1 1     -26    7   14 o    2.861000      0.6603000       2.745000 0.8937000       2.977000      0.9722000     -0.2318000       1.321000
  1 1 1     -26    7   15 o    2.055000      0.6113000       1.990000 0.8245000       2.120000      0.9026000     -0.1298000       1.223000
  1 1 1     -26    7   16 o    2.123000      0.6259000       2.209000 0.8908000       2.037000      0.8796000      0.1722000       1.252000
  1 1 1     -26    7   17 o    2.531000      0.6369000       2.522000 0.8835000       2.540000      0.9175000     -0.1773000E-01   1.274000
  1 1 1     -26    8    1 o    3.287000      0.6718000       2.779000 0.7893000       3.795000       1.087000      -1.016000       1.344000
  1 1 1     -26    8    2 o    3.608000      0.5474000       2.549000 0.8109000       4.667000      0.7354000      -2.117000       1.095000
  1 1 1     -26    8    3 o    3.288000      0.7557000       2.991000 0.9946000       3.585000       1.138000     -0.5935000       1.511000
  1 1 1     -26    8    4 o    2.763000      0.7384000       2.804000 1.018000       2.722000       1.070000      0.8203000E-01   1.477000
  1 1 1     -26    8    5 f    7.577000      0.3326000       7.684000 0.4236000       7.471000      0.5129000      0.2136000      0.6652000
  1 1 1     -26    8    6 o    4.045000      0.5582000       4.677000 0.6032000       3.412000      0.9394000       1.264000       1.116000
  1 1 1     -26    8    7 o    4.233000      0.5386000       4.613000 0.5994000       3.853000      0.8950000      0.7602000       1.077000
  1 1 1     -26    8    8 o    7.140000      0.3507000       7.274000 0.4319000       7.005000      0.5528000      0.2693000      0.7015000
  1 1 1     -26    8    9 o    2.694000      0.6254000       3.024000 0.8257000       2.364000      0.9395000      0.6608000       1.251000
  1 1 1     -26    8   10 o    2.669000      0.6541000       2.446000 0.8534000       2.893000      0.9916000     -0.4471000       1.308000
  1 1 1     -26    8   11 o    8.343000      0.3311000       8.114000 0.4280000       8.572000      0.5053000     -0.4576000      0.6622000
  1 1 1     -26    8   12 o    4.672000      0.5237000       4.326000 0.7401000       5.018000      0.7410000     -0.6920000       1.047000
  1 1 1     -26    8   13 o    3.001000      0.6085000       2.152000 0.8700000       3.851000      0.8510000      -1.699000       1.217000
  1 1 1     -26    8   14 o    5.463000      0.4280000       5.649000 0.5300000       5.276000      0.6721000      0.3733000      0.8560000
  1 1 1     -26    8   15 o    3.622000      0.5912000       3.486000 0.8075000       3.759000      0.8636000     -0.2732000       1.182000
  1 1 1     -26    8   16 o    3.403000      0.6270000       3.741000 0.8504000       3.065000      0.9216000      0.6758000       1.254000
  1 1 1     -26    9    1 o    4.030000      0.4941000       3.699000 0.6475000       4.361000      0.7464000     -0.6622000      0.9881000
  1 1 1     -26    9    2 o    2.329000      0.6760000       1.730000 0.8001000       2.928000       1.090000      -1.197000       1.352000
  1 1 1     -26    9    3 o    2.437000      0.6014000       1.915000 0.7867000       2.959000      0.9097000      -1.044000       1.203000
  1 1 1     -26    9    4 o    2.450000      0.6197000       1.898000 0.7849000       3.002000      0.9591000      -1.105000       1.239000
  1 1 1     -26    9    5 o    4.619000      0.5297000       5.630000 0.4832000       3.609000      0.9427000       2.021000       1.059000
  1 1 1     -26    9    6 o    2.080000      0.6000000       1.774000 0.7740000       2.386000      0.9169000     -0.6118000       1.200000
  1 1 1     -26    9    7 o    3.416000      0.5783000       2.435000 0.8610000       4.398000      0.7722000      -1.962000       1.157000
  1 1 1     -26    9    8 o    2.063000      0.6077000       1.926000 0.7958000       2.200000      0.9186000     -0.2746000       1.215000
  1 1 1     -26    9    9 o    4.546000      0.6349000       4.546000 0.6349000                  ?              ?              ?              ?
  1 1 1     -26    9   10 f    5.594000      0.4711000       6.708000 0.4839000       4.481000      0.8084000       2.227000      0.9422000
  1 1 1     -26    9   11 o    5.999000      0.6167000                  ?       ?   5.999000      0.6167000                  ?              ?
  1 1 1     -26    9   12 o    4.763000      0.4954000       4.051000 0.7791000       5.476000      0.6121000      -1.426000      0.9908000
  1 1 1     -26    9   13 o    2.802000      0.5850000       3.579000 0.7828000       2.025000      0.8695000       1.554000       1.170000
  1 1 1     -26    9   14 o    4.829000      0.5293000       5.748000 0.5766000       3.909000      0.8877000       1.838000       1.059000
  1 1 1     -26   10    1 o    2.645000      0.7428000       2.369000 1.057000       2.921000       1.044000     -0.5518000       1.486000
  1 1 1     -26   10    2 f    4.038000      0.5490000       4.060000 0.7479000       4.016000      0.8040000      0.4414000E-01   1.098000
  1 1 1     -26   10    3 o    2.761000      0.6720000       3.295000 1.003000       2.227000      0.8943000       1.068000       1.344000
  1 1 1     -26   10    4 o    4.476000      0.5043000       5.027000 0.5323000       3.924000      0.8567000       1.103000       1.009000
  1 1 1     -26   10    5 o    2.830000      0.6090000       3.028000 0.7611000       2.633000      0.9510000      0.3950000       1.218000
  1 1 1     -26   10    6 o    3.872000      0.5402000       3.693000 0.7041000       4.051000      0.8195000     -0.3576000       1.080000
  1 1 1     -26   10    7 o    3.921000      0.5577000       4.053000 0.6848000       3.790000      0.8805000      0.2630000       1.115000
  1 1 1     -26   10    8 o    2.615000      0.6573000       2.402000 0.8661000       2.829000      0.9889000     -0.4267000       1.315000
  1 1 1     -26   10    9 o    2.083000      0.6198000       2.096000 0.8414000       2.070000      0.9103000      0.2657000E-01   1.240000
  1 1 1     -26   10   10 o    2.712000      0.6419000       3.179000 0.8792000       2.245000      0.9355000      0.9344000       1.284000
  1 1 1     -26   10   11 o    4.361000      0.6184000       3.815000 1.001000       4.908000      0.7262000      -1.094000       1.237000
  1 1 1     -26   10   12 o    3.558000      0.5935000       2.773000 0.8962000       4.344000      0.7783000      -1.571000       1.187000
  1 1 1     -26   11    1 o    4.535000      0.5039000       4.736000 0.6402000       4.333000      0.7783000      0.4021000       1.008000
  1 1 1     -26   11    2 o    5.933000      0.4086000       5.280000 0.6115000       6.586000      0.5421000      -1.305000      0.8172000
  1 1 1     -26   11    3 o    1.937000      0.5925000       1.959000 0.8315000       1.915000      0.8442000      0.4308000E-01   1.185000
  1 1 1     -26   11    4 f    2.087000      0.6140000       1.995000 0.8274000       2.179000      0.9074000     -0.1843000       1.228000
  1 1 1     -26   11    5 o    3.159000      0.6745000       3.438000 0.9501000       2.881000      0.9577000      0.5563000       1.349000
  1 1 1     -26   11    6 o    2.438000      0.6163000       2.685000 0.8537000       2.190000      0.8891000      0.4949000       1.233000
  1 1 1     -26   11    7 o    2.101000      0.6037000       2.118000 0.8372000       2.085000      0.8699000      0.3306000E-01   1.207000
  1 1 1     -26   11    8 o    2.474000      0.6381000       2.326000 0.8663000       2.621000      0.9372000     -0.2953000       1.276000
  1 1 1     -26   11    9 o    1.837000      0.5542000       2.250000 0.8648000       1.425000      0.6932000      0.8249000       1.108000
  1 1 1     -26   11   10 o    2.700000      0.7123000       3.064000 1.079000       2.336000      0.9307000      0.7279000       1.425000
  1 1 1     -26   12    1 o    6.639000      0.4270000       6.922000 0.6577000       6.355000      0.5447000      0.5671000      0.8540000
  1 1 1     -26   12    2 o    5.476000      0.4218000       5.421000 0.6025000       5.530000      0.5904000     -0.1097000      0.8435000
  1 1 1     -26   12    3 o    2.365000      0.6364000       2.488000 0.9132000       2.242000      0.8865000      0.2457000       1.273000
  1 1 1     -26   12    4 o    3.119000      0.6455000       3.461000 0.8791000       2.777000      0.9454000      0.6843000       1.291000
  1 1 1     -26   12    5 o    2.382000      0.6123000       2.966000 0.9219000       1.797000      0.8060000       1.169000       1.225000
  1 1 1     -26   12    6 o    2.410000      0.5947000       1.659000 0.7644000       3.161000      0.9113000      -1.503000       1.189000
  1 1 1     -25  -35    1 o    3.849000      0.6662000       4.706000 0.8249000       2.991000       1.046000       1.715000       1.332000
  1 1 1     -25  -35    2 o    3.270000      0.6876000       4.359000 0.9962000       2.180000      0.9479000       2.179000       1.375000
  1 1 1     -25  -35    3 o    2.463000      0.7081000       2.712000 1.034000       2.214000      0.9681000      0.4986000       1.416000
  1 1 1     -25  -35    4 o    2.030000      0.6473000       1.769000 0.8256000       2.291000      0.9972000     -0.5221000       1.295000
  1 1 1     -25  -35    5 o    2.571000      0.7226000       2.238000 0.9681000       2.905000       1.073000     -0.6672000       1.445000
  1 1 1     -25  -35    6 o    2.360000      0.7106000       2.295000 0.9850000       2.424000       1.025000     -0.1286000       1.421000
  1 1 1     -25  -35    7 o    2.941000       1.227000       2.941000 1.227000                  ?              ?              ?              ?
  1 1 1     -25  -34    1 o    2.558000      0.7071000       2.450000 0.9683000       2.666000       1.031000     -0.2157000       1.414000
  1 1 1     -25  -34    2 o    1.914000      0.6099000       2.150000 0.9216000       1.678000      0.7992000      0.4721000       1.220000
  1 1 1     -25  -34    3 o    2.808000      0.7039000       2.914000 0.9653000       2.702000       1.025000      0.2118000       1.408000
  1 1 1     -25  -34    4 o    2.514000      0.7004000       2.118000 0.9188000       2.909000       1.057000     -0.7907000       1.401000
  1 1 1     -25  -34    5 o    2.588000      0.7166000       2.137000 0.9321000       3.040000       1.089000     -0.9032000       1.433000
  1 1 1     -25  -34    6 o    2.535000      0.7096000       2.439000 0.9466000       2.631000       1.058000     -0.1928000       1.419000
  1 1 1     -25  -34    7 o    2.242000      0.6699000       2.650000 1.025000       1.834000      0.8632000      0.8160000       1.340000
  1 1 1     -25  -34    8 o    3.276000      0.7265000       2.509000 1.006000       4.043000       1.049000      -1.534000       1.453000
  1 1 1     -25  -34    9 o    2.617000      0.6794000       1.767000 0.8247000       3.467000       1.080000      -1.700000       1.359000
  1 1 1     -25  -34   10 o    3.683000      0.8894000       4.143000 1.398000       3.223000       1.100000      0.9199000       1.779000
  1 1 1     -25  -33    1 o    3.781000      0.6799000       3.357000 0.9903000       4.204000      0.9319000     -0.8467000       1.360000
  1 1 1     -25  -33    2 o    2.803000      0.7210000       2.703000 1.022000       2.903000       1.018000     -0.2003000       1.442000
  1 1 1     -25  -33    3 f    2.374000      0.6733000       2.061000 0.9006000       2.687000       1.001000     -0.6260000       1.347000
  1 1 1     -25  -33    4 o    5.393000      0.5836000       6.246000 0.6425000       4.539000      0.9745000       1.707000       1.167000
  1 1 1     -25  -33    5 o    6.039000      0.4774000       5.846000 0.6432000       6.232000      0.7056000     -0.3864000      0.9547000
  1 1 1     -25  -33    6 o    2.782000      0.7265000       2.352000 0.9458000       3.212000       1.103000     -0.8599000       1.453000
  1 1 1     -25  -33    7 o    2.721000      0.7041000       3.210000 1.015000       2.233000      0.9760000      0.9763000       1.408000
  1 1 1     -25  -33    8 o    2.631000      0.6768000       3.180000 0.9783000       2.082000      0.9355000       1.098000       1.354000
  1 1 1     -25  -33    9 o    3.677000      0.7113000       4.210000 0.9132000       3.144000       1.091000       1.066000       1.423000
  1 1 1     -25  -33   10 o    3.390000      0.7475000       3.540000 0.9903000       3.239000       1.120000      0.3008000       1.495000
  1 1 1     -25  -33   11 o    3.944000      0.6680000       2.920000 1.026000       4.968000      0.8560000      -2.048000       1.336000
  1 1 1     -25  -33   12 o    2.260000      0.6710000       1.777000 0.8279000       2.742000       1.056000     -0.9647000       1.342000
  1 1 1     -25  -32    1 o    2.872000      0.9960000                  ?       ?   2.872000      0.9960000                  ?              ?
  1 1 1     -25  -32    2 o    2.752000      0.6474000       3.563000 0.9651000       1.942000      0.8633000       1.621000       1.295000
  1 1 1     -25  -32    3 o    2.261000      0.6582000       2.340000 0.9332000       2.182000      0.9285000      0.1576000       1.316000
  1 1 1     -25  -32    4 o    3.830000      0.6713000       4.399000 0.7980000       3.262000       1.080000       1.137000       1.343000
  1 1 1     -25  -32    5 f    2.086000      0.6409000       1.968000 0.8497000       2.204000      0.9598000     -0.2354000       1.282000
  1 1 1     -25  -32    6 o    3.855000      0.6483000       4.338000 0.7788000       3.372000       1.037000      0.9655000       1.297000
  1 1 1     -25  -32    7 o    2.519000      0.7034000       2.664000 0.9794000       2.373000       1.010000      0.2904000       1.407000
  1 1 1     -25  -32    8 o    2.106000      0.6396000       1.420000 0.6946000       2.791000       1.074000      -1.371000       1.279000
  1 1 1     -25  -32    9 o    2.123000      0.6452000       2.283000 0.9334000       1.964000      0.8910000      0.3192000       1.290000
  1 1 1     -25  -32   10 o    2.164000      0.6564000       2.376000 0.9542000       1.952000      0.9016000      0.4234000       1.313000
  1 1 1     -25  -32   11 o    3.766000      0.7053000       4.472000 0.8994000       3.059000       1.087000       1.412000       1.411000
  1 1 1     -25  -32   12 o    2.168000      0.6337000       1.536000 0.7408000       2.800000       1.028000      -1.264000       1.267000
  1 1 1     -25  -32   13 o    3.641000      0.6900000       2.513000 0.9834000       4.768000      0.9680000      -2.255000       1.380000
  1 1 1     -25  -32   14 o    2.748000      0.6749000       1.773000 0.8343000       3.723000       1.061000      -1.950000       1.350000
  1 1 1     -25  -31    1 f    2.316000      0.9498000                  ?       ?   2.316000      0.9498000                  ?              ?
  1 1 1     -25  -31    2 o    1.982000      0.6096000       1.619000 0.7651000       2.344000      0.9493000     -0.7242000       1.219000
  1 1 1     -25  -31    3 o    2.754000      0.6386000       3.420000 0.8992000       2.089000      0.9072000       1.331000       1.277000
  1 1 1     -25  -31    4 o    2.245000      0.6513000       1.952000 0.8281000       2.537000       1.006000     -0.5842000       1.303000
  1 1 1     -25  -31    5 o    4.616000      0.6065000       5.620000 0.6031000       3.612000       1.052000       2.008000       1.213000
  1 1 1     -25  -31    6 f    3.415000      0.6756000       2.726000 0.9855000       4.104000      0.9245000      -1.378000       1.351000
  1 1 1     -25  -31    7 o    1.889000      0.6025000       1.549000 0.7359000       2.229000      0.9541000     -0.6806000       1.205000
  1 1 1     -25  -31    8 o    3.147000      0.7032000       2.707000 0.9492000       3.587000       1.038000     -0.8799000       1.406000
  1 1 1     -25  -31    9 o    2.191000      0.6621000       1.677000 0.7938000       2.705000       1.060000      -1.028000       1.324000
  1 1 1     -25  -31   10 o    3.463000      0.6823000       3.930000 0.8966000       2.996000       1.029000      0.9334000       1.365000
  1 1 1     -25  -31   11 o    4.727000      0.6370000       4.738000 0.8641000       4.716000      0.9363000      0.2171000E-01   1.274000
  1 1 1     -25  -31   12 o    4.140000      0.6810000       4.163000 0.9123000       4.117000       1.011000      0.4568000E-01   1.362000
  1 1 1     -25  -31   13 o    2.867000      0.7256000       2.686000 0.9793000       3.047000       1.071000     -0.3616000       1.451000
  1 1 1     -25  -31   14 o    2.807000      0.7494000       2.746000 1.027000       2.868000       1.091000     -0.1223000       1.499000
  1 1 1     -25  -31   15 o    2.360000      0.6805000       2.783000 1.033000       1.936000      0.8859000      0.8467000       1.361000
  1 1 1     -25  -31   16 o    2.251000      0.6733000       1.991000 0.8900000       2.511000       1.010000     -0.5199000       1.347000
  1 1 1     -25  -30    1 o    2.364000      0.6115000       1.731000 0.7533000       2.997000      0.9635000      -1.267000       1.223000
  1 1 1     -25  -30    2 o    2.510000      0.6466000       1.936000 0.8332000       3.084000      0.9890000      -1.148000       1.293000
  1 1 1     -25  -30    3 o    2.303000      0.6036000       1.381000 0.6734000       3.226000       1.002000      -1.845000       1.207000
  1 1 1     -25  -30    4 o    6.842000      0.6593000       6.145000 1.203000       7.539000      0.5407000      -1.394000       1.319000
  1 1 1     -25  -30    5 o    7.438000      0.3819000       8.286000 0.4600000       6.590000      0.6098000       1.696000      0.7638000
  1 1 1     -25  -30    6 o    2.790000      0.6831000       3.256000 0.9762000       2.324000      0.9560000      0.9316000       1.366000
  1 1 1     -25  -30    7 o    3.295000      0.7119000       3.344000 0.9557000       3.247000       1.055000      0.9692000E-01   1.424000
  1 1 1     -25  -30    8 o    3.480000      0.6653000       3.245000 0.8952000       3.716000      0.9844000     -0.4712000       1.331000
  1 1 1     -25  -30    9 o    3.981000      0.6608000       4.599000 0.7759000       3.362000       1.070000       1.237000       1.322000
  1 1 1     -25  -30   10 f    4.202000      0.6567000       4.645000 0.7756000       3.759000       1.060000      0.8852000       1.313000
  1 1 1     -25  -30   11 o    5.467000      0.5371000       5.556000 0.6986000       5.379000      0.8159000      0.1771000       1.074000
  1 1 1     -25  -30   12 o    3.086000      0.7302000       3.203000 0.9914000       2.968000       1.072000      0.2349000       1.460000
  1 1 1     -25  -30   13 o    3.491000      0.7413000       2.795000 1.032000       4.187000       1.065000      -1.392000       1.483000
  1 1 1     -25  -30   14 o    2.893000      0.7164000       3.285000 1.009000       2.501000       1.017000      0.7841000       1.433000
  1 1 1     -25  -30   15 o    2.436000      0.6978000       2.031000 0.9129000       2.841000       1.056000     -0.8102000       1.396000
  1 1 1     -25  -30   16 f    2.632000      0.6702000       1.797000 0.8394000       3.466000       1.045000      -1.669000       1.340000
  1 1 1     -25  -30   17 o    2.285000      0.6801000       2.205000 0.9401000       2.366000      0.9829000     -0.1610000       1.360000
  1 1 1     -25  -30   18 o    1.912000      0.9084000       1.912000 0.9084000                  ?              ?              ?              ?
  1 1 1     -25  -29    1 f    1.690000      0.5793000       1.350000 0.6669000       2.031000      0.9475000     -0.6819000       1.159000
  1 1 1     -25  -29    2 o    2.209000      0.6368000       2.099000 0.8665000       2.319000      0.9334000     -0.2198000       1.274000
  1 1 1     -25  -29    3 o    3.288000      0.6486000       3.089000 0.9104000       3.488000      0.9240000     -0.3982000       1.297000
  1 1 1     -25  -29    4 f    6.947000      0.3895000       7.407000 0.4776000       6.487000      0.6154000      0.9191000      0.7790000
  1 1 1     -25  -29    5 o    2.586000      0.6398000       3.105000 0.8962000       2.068000      0.9132000       1.037000       1.280000
  1 1 1     -25  -29    6 o    4.497000      0.5680000       4.764000 0.7018000       4.231000      0.8933000      0.5329000       1.136000
  1 1 1     -25  -29    7 o    2.393000      0.6233000       3.035000 0.9462000       1.751000      0.8117000       1.284000       1.247000
  1 1 1     -25  -29    8 o    3.538000      0.6708000       3.078000 0.9287000       3.998000      0.9681000     -0.9195000       1.342000
  1 1 1     -25  -29    9 o    5.937000      0.4722000       5.317000 0.6970000       6.556000      0.6372000      -1.239000      0.9444000
  1 1 1     -25  -29   10 o    2.175000      0.6498000       2.020000 0.8585000       2.329000      0.9756000     -0.3088000       1.300000
  1 1 1     -25  -29   11 o    2.955000      0.6788000       3.698000 0.9646000       2.213000      0.9552000       1.485000       1.358000
  1 1 1     -25  -29   12 o    1.837000      0.6013000       1.773000 0.8165000       1.902000      0.8828000     -0.1287000       1.203000
  1 1 1     -25  -29   13 o    2.666000      0.7217000       2.448000 0.9618000       2.884000       1.076000     -0.4352000       1.443000
  1 1 1     -25  -29   14 o    3.123000      0.7067000       3.893000 0.9868000       2.352000       1.012000       1.541000       1.413000
  1 1 1     -25  -29   15 o    3.208000      0.7058000       3.424000 0.9560000       2.993000       1.038000      0.4307000       1.412000
  1 1 1     -25  -29   16 o    2.272000      0.6844000       2.214000 0.9412000       2.331000      0.9940000     -0.1167000       1.369000
  1 1 1     -25  -29   17 o    3.502000      0.7332000       3.087000 1.016000       3.916000       1.057000     -0.8297000       1.466000
  1 1 1     -25  -29   18 o    2.307000      0.6925000       2.359000 0.9719000       2.256000      0.9867000      0.1035000       1.385000
  1 1 1     -25  -29   19 o    2.539000      0.6906000       2.943000 0.9883000       2.134000      0.9650000      0.8084000       1.381000
  1 1 1     -25  -28    1 o    4.645000      0.5045000       5.333000 0.5964000       3.956000      0.8140000       1.377000       1.009000
  1 1 1     -25  -28    2 o    4.914000      0.6488000       4.791000 0.7955000       5.037000       1.025000     -0.2461000       1.298000
  1 1 1     -25  -28    3 o    7.293000      0.4734000       6.896000 0.5856000       7.691000      0.7439000     -0.7945000      0.9468000
  1 1 1     -25  -28    4 o    2.357000      0.6437000       2.460000 0.8896000       2.254000      0.9306000      0.2058000       1.287000
  1 1 1     -25  -28    5 o    5.514000      0.4614000       5.338000 0.6150000       5.690000      0.6881000     -0.3516000      0.9229000
  1 1 1     -25  -28    6 o    5.084000      0.4756000       4.804000 0.6312000       5.365000      0.7116000     -0.5611000      0.9512000
  1 1 1     -25  -28    7 o    3.211000      0.6716000       3.256000 0.8907000       3.165000       1.005000      0.9066000E-01   1.343000
  1 1 1     -25  -28    8 o    2.855000      0.7056000       2.723000 0.9551000       2.988000       1.039000     -0.2651000       1.411000
  1 1 1     -25  -28    9 o    4.600000      0.5479000       4.300000 0.7682000       4.900000      0.7814000     -0.5999000       1.096000
  1 1 1     -25  -28   10 o    3.062000      0.6977000       3.513000 0.9548000       2.611000       1.018000      0.9019000       1.395000
  1 1 1     -25  -28   11 o    2.364000      0.6704000       1.844000 0.8351000       2.883000       1.049000      -1.039000       1.341000
  1 1 1     -25  -28   12 o    5.232000      0.5479000       5.247000 0.7172000       5.218000      0.8284000      0.2902000E-01   1.096000
  1 1 1     -25  -28   13 o    2.613000      0.7277000       2.677000 1.009000       2.549000       1.049000      0.1283000       1.455000
  1 1 1     -25  -28   14 o    4.376000      0.6373000       4.300000 0.8726000       4.452000      0.9292000     -0.1522000       1.275000
  1 1 1     -25  -28   15 f    4.034000      0.6561000       4.930000 0.7412000       3.139000       1.083000       1.791000       1.312000
  1 1 1     -25  -28   16 f    1.792000      0.5919000       1.937000 0.8686000       1.647000      0.8042000      0.2892000       1.184000
  1 1 1     -25  -28   17 o    2.932000      0.7325000       2.540000 0.9883000       3.325000       1.081000     -0.7844000       1.465000
  1 1 1     -25  -28   18 o    2.120000      0.6665000       2.025000 0.9137000       2.216000      0.9706000     -0.1912000       1.333000
  1 1 1     -25  -28   19 o    2.889000      0.7364000       2.720000 1.008000       3.057000       1.074000     -0.3377000       1.473000
  1 1 1     -25  -28   20 o    3.606000      0.7502000       3.803000 1.024000       3.410000       1.096000      0.3928000       1.500000
  1 1 1     -25  -27    1 o    5.891000      0.4154000       5.052000 0.4816000       6.729000      0.6770000      -1.677000      0.8309000
  1 1 1     -25  -27    2 o    2.463000      0.9454000                  ?       ?   2.463000      0.9454000                  ?              ?
  1 1 1     -25  -27    3 o    2.041000      0.6042000       1.617000 0.7318000       2.466000      0.9617000     -0.8494000       1.208000
  1 1 1     -25  -27    4 o    2.410000      0.6778000       2.712000 0.9366000       2.108000      0.9799000      0.6038000       1.356000
  1 1 1     -25  -27    5 o    3.294000      0.7490000       2.653000 0.9399000       3.936000       1.167000      -1.284000       1.498000
  1 1 1     -25  -27    6 o    2.719000      0.6636000       2.817000 0.9049000       2.621000      0.9708000      0.1965000       1.327000
  1 1 1     -25  -27    7 o    4.519000      0.6032000       5.206000 0.6710000       3.832000       1.003000       1.374000       1.206000
  1 1 1     -25  -27    8 o    7.571000      0.3658000       7.930000 0.4828000       7.211000      0.5498000      0.7188000      0.7317000
  1 1 1     -25  -27    9 f    5.361000      0.5249000       5.871000 0.6023000       4.851000      0.8598000       1.020000       1.050000
  1 1 1     -25  -27   10 o    2.817000      0.6632000       1.977000 0.8468000       3.658000       1.021000      -1.682000       1.326000
  1 1 1     -25  -27   11 f    3.299000      0.6906000       3.975000 0.9300000       2.623000       1.021000       1.352000       1.381000
  1 1 1     -25  -27   12 o    2.469000      0.6972000       2.414000 0.9675000       2.524000       1.004000     -0.1107000       1.394000
  1 1 1     -25  -27   13 o    2.578000      0.7088000       2.459000 0.9501000       2.698000       1.052000     -0.2395000       1.418000
  1 1 1     -25  -27   14 o    4.588000      0.6145000       3.715000 0.9318000       5.462000      0.8015000      -1.747000       1.229000
  1 1 1     -25  -27   15 o    8.503000      0.3985000       8.384000 0.5340000       8.623000      0.5918000     -0.2389000      0.7971000
  1 1 1     -25  -27   16 o    2.860000      0.7078000       2.299000 0.9503000       3.422000       1.049000      -1.123000       1.416000
  1 1 1     -25  -27   17 o    2.832000      0.7329000       2.684000 1.002000       2.980000       1.070000     -0.2959000       1.466000
  1 1 1     -25  -27   18 o    2.299000      0.6828000       2.326000 0.9795000       2.271000      0.9515000      0.5574000E-01   1.366000
  1 1 1     -25  -27   19 o    3.021000      0.7199000       2.370000 0.9868000       3.671000       1.048000      -1.301000       1.440000
  1 1 1     -25  -27   20 o    2.594000      0.7181000       2.789000 1.042000       2.400000      0.9884000      0.3883000       1.436000
  1 1 1     -25  -27   21 o    2.943000      0.7395000       2.551000 1.008000       3.335000       1.082000     -0.7840000       1.479000
  1 1 1     -25  -26    1 o    3.907000      0.7249000       3.908000 1.234000       3.906000      0.7619000      0.1628000E-02   1.450000
  1 1 1     -25  -26    2 o    5.381000      0.8722000                  ?       ?   5.381000      0.8722000                  ?              ?
  1 1 1     -25  -26    3 o    3.392000      0.7643000       4.673000 1.192000       2.111000      0.9565000       2.563000       1.529000
  1 1 1     -25  -26    4 o    6.463000      0.4055000       6.848000 0.5010000       6.078000      0.6379000      0.7694000      0.8111000
  1 1 1     -25  -26    5 o    5.024000      0.4853000       5.090000 0.6487000       4.957000      0.7219000      0.1339000      0.9705000
  1 1 1     -25  -26    6 o    5.154000      0.7005000       5.681000 0.6588000       4.626000       1.237000       1.055000       1.401000
  1 1 1     -25  -26    7 o    3.608000      0.7336000       4.293000 0.9252000       2.923000       1.139000       1.370000       1.467000
  1 1 1     -25  -26    8 o    2.202000      0.6440000       2.317000 0.9185000       2.087000      0.9028000      0.2301000       1.288000
  1 1 1     -25  -26    9 o    3.259000      0.6547000       3.589000 0.8515000       2.928000      0.9946000      0.6611000       1.309000
  1 1 1     -25  -26   10 o    2.664000      0.7009000       2.599000 0.9530000       2.728000       1.028000     -0.1284000       1.402000
  1 1 1     -25  -26   11 o    1.801000      0.5776000       1.954000 0.8515000       1.648000      0.7807000      0.3055000       1.155000
  1 1 1     -25  -26   12 o    3.283000      0.7083000       3.038000 0.9564000       3.527000       1.045000     -0.4894000       1.417000
  1 1 1     -25  -26   13 o    6.002000      0.4927000       5.364000 0.7214000       6.639000      0.6712000      -1.274000      0.9853000
  1 1 1     -25  -26   14 o    1.986000      0.6125000       2.329000 0.9384000       1.643000      0.7875000      0.6864000       1.225000
  1 1 1     -25  -26   15 o    2.938000      0.7079000       2.341000 0.9495000       3.536000       1.050000      -1.195000       1.416000
  1 1 1     -25  -26   16 o    6.085000      0.4699000       6.275000 0.6139000       5.896000      0.7117000      0.3789000      0.9399000
  1 1 1     -25  -26   17 o    4.836000      0.6039000       5.079000 0.7859000       4.593000      0.9171000      0.4860000       1.208000
  1 1 1     -25  -26   18 o    2.311000      0.6608000       2.604000 0.9740000       2.019000      0.8933000      0.5845000       1.322000
  1 1 1     -25  -26   19 o    2.393000      0.6948000       2.504000 0.9933000       2.283000      0.9717000      0.2214000       1.390000
  1 1 1     -25  -26   20 o    2.066000      0.6429000       1.854000 0.8429000       2.278000      0.9711000     -0.4242000       1.286000
  1 1 1     -25  -26   21 o    2.674000      0.6933000       3.289000 1.040000       2.058000      0.9171000       1.230000       1.387000
  1 1 1     -25  -26   22 o    2.378000      0.6924000       2.420000 0.9854000       2.337000      0.9731000      0.8229000E-01   1.385000
  1 1 1     -25  -25    1 f    8.710000      0.3045000       8.990000 0.3929000       8.429000      0.4653000      0.5610000      0.6090000
  1 1 1     -25  -25    2 o    6.937000      0.3406000       7.070000 0.4397000       6.804000      0.5202000      0.2667000      0.6812000
  1 1 1     -25  -25    3 o    3.431000      0.6801000       2.671000 1.123000       4.192000      0.7673000      -1.521000       1.360000
  1 1 1     -25  -25    4 o    6.264000      0.6442000       5.500000 1.056000       7.027000      0.7375000      -1.526000       1.288000
  1 1 1     -25  -25    5 o    7.898000      0.4224000       7.536000 0.5347000       8.261000      0.6542000     -0.7254000      0.8449000
  1 1 1     -25  -25    6 o    4.930000      0.4814000       4.281000 0.7352000       5.580000      0.6217000      -1.299000      0.9628000
  1 1 1     -25  -25    7 o    3.511000      0.6633000       3.600000 0.8764000       3.422000      0.9958000      0.1786000       1.327000
  1 1 1     -25  -25    8 f    3.120000      0.7581000       3.562000 0.9767000       2.678000       1.160000      0.8837000       1.516000
  1 1 1     -25  -25    9 o    2.859000      0.7794000       2.871000 1.033000       2.847000       1.168000      0.2418000E-01   1.559000
  1 1 1     -25  -25   10 f    2.820000      0.6849000       3.165000 0.9271000       2.475000       1.008000      0.6905000       1.370000
  1 1 1     -25  -25   11 o    7.399000      0.3875000       7.784000 0.5186000       7.015000      0.5760000      0.7689000      0.7751000
  1 1 1     -25  -25   12 o    2.481000      0.6814000       2.397000 0.9424000       2.564000      0.9845000     -0.1666000       1.363000
  1 1 1     -25  -25   13 o    2.415000      0.6776000       2.315000 0.9228000       2.514000      0.9926000     -0.1995000       1.355000
  1 1 1     -25  -25   14 o    5.090000      0.5491000       5.392000 0.6427000       4.787000      0.8905000      0.6044000       1.098000
  1 1 1     -25  -25   15 o    3.126000      0.7553000       3.080000 1.040000       3.173000       1.095000     -0.9341000E-01   1.511000
  1 1 1     -25  -25   16 o    2.388000      0.6956000       2.154000 0.9291000       2.621000       1.035000     -0.4675000       1.391000
  1 1 1     -25  -25   17 o    3.491000      0.7530000       3.071000 1.074000       3.911000       1.055000     -0.8402000       1.506000
  1 1 1     -25  -25   18 o    5.595000      0.5355000       6.010000 0.6867000       5.180000      0.8218000      0.8303000       1.071000
  1 1 1     -25  -25   19 o    2.481000      0.7057000       2.809000 1.041000       2.152000      0.9526000      0.6572000       1.411000
  1 1 1     -25  -25   20 o    2.962000      0.7012000       3.650000 1.005000       2.273000      0.9779000       1.378000       1.402000
  1 1 1     -25  -25   21 o    2.191000      0.6777000       2.206000 0.9521000       2.176000      0.9647000      0.2925000E-01   1.355000
  1 1 1     -25  -25   22 o    2.519000      0.6997000       2.447000 0.9674000       2.592000       1.011000     -0.1449000       1.399000
  1 1 1     -25  -25   23 o    2.728000      0.6036000       3.995000 0.9701000       1.461000      0.7184000       2.534000       1.207000
  1 1 1     -25  -24    1 o    2.285000      0.6070000       2.337000 0.8210000       2.233000      0.8943000      0.1041000       1.214000
  1 1 1     -25  -24    2 o    6.611000      0.3567000       6.620000 0.4668000       6.602000      0.5393000      0.1863000E-01  0.7133000
  1 1 1     -25  -24    3 f    4.156000      0.5243000       3.662000 0.7357000       4.650000      0.7471000     -0.9876000       1.049000
  1 1 1     -25  -24    4 o    1.824000      0.5631000       1.820000 0.7758000       1.829000      0.8164000     -0.9162000E-02   1.126000
  1 1 1     -25  -24    5 f    10.04000      0.4561000       9.575000 0.6977000       10.51000      0.5877000     -0.9394000      0.9123000
  1 1 1     -25  -24    6 f    7.743000      0.5534000       7.428000 0.8828000       8.058000      0.6675000     -0.6292000       1.107000
  1 1 1     -25  -24    7 o    2.714000      0.6202000       3.274000 0.8514000       2.153000      0.9020000       1.121000       1.240000
  1 1 1     -25  -24    8 o    5.856000      0.4436000       5.390000 0.6616000       6.322000      0.5912000     -0.9324000      0.8873000
  1 1 1     -25  -24    9 o    7.727000      0.5369000       8.384000 0.5971000       7.070000      0.8926000       1.314000       1.074000
  1 1 1     -25  -24   10 o    7.621000      0.4949000       7.917000 0.6237000       7.325000      0.7685000      0.5919000      0.9897000
  1 1 1     -25  -24   11 o    7.701000      0.3851000       7.311000 0.5280000       8.091000      0.5606000     -0.7798000      0.7702000
  1 1 1     -25  -24   12 o    4.386000      0.5999000       4.267000 0.8244000       4.504000      0.8716000     -0.2366000       1.200000
  1 1 1     -25  -24   13 o    4.403000      0.6365000       4.881000 0.7868000       3.925000       1.001000      0.9555000       1.273000
  1 1 1     -25  -24   14 o    5.218000      0.5254000       5.522000 0.6691000       4.914000      0.8102000      0.6082000       1.051000
  1 1 1     -25  -24   15 o    3.984000      0.6700000       3.330000 0.9900000       4.637000      0.9029000      -1.307000       1.340000
  1 1 1     -25  -24   16 o    2.808000      0.6620000       1.947000 0.8632000       3.668000       1.004000      -1.721000       1.324000
  1 1 1     -25  -24   17 o    5.984000      0.5056000       6.170000 0.6708000       5.799000      0.7567000      0.3711000       1.011000
  1 1 1     -25  -24   18 o    6.023000      0.4752000       6.319000 0.6343000       5.726000      0.7077000      0.5934000      0.9503000
  1 1 1     -25  -24   19 o    2.875000      0.7109000       3.482000 1.039000       2.268000      0.9707000       1.214000       1.422000
  1 1 1     -25  -24   20 o    2.722000      0.7071000       2.552000 0.9781000       2.891000       1.021000     -0.3385000       1.414000
  1 1 1     -25  -24   21 o    2.717000      0.7262000       2.639000 1.014000       2.795000       1.040000     -0.1560000       1.452000
  1 1 1     -25  -24   22 o    2.880000      0.7514000       2.899000 1.051000       2.861000       1.075000      0.3833000E-01   1.503000
  1 1 1     -25  -24   23 o    1.784000      0.5878000       1.612000 0.7705000       1.957000      0.8878000     -0.3448000       1.176000
  1 1 1     -25  -23    1 o    3.396000      0.5655000       4.042000 0.6518000       2.749000      0.9243000       1.293000       1.131000
  1 1 1     -25  -23    2 o    8.369000      0.2944000       8.291000 0.4006000       8.447000      0.4316000     -0.1565000      0.5889000
  1 1 1     -25  -23    3 o    4.008000      0.5141000       3.521000 0.7176000       4.496000      0.7365000     -0.9752000       1.028000
  1 1 1     -25  -23    4 o    9.567000      0.2965000       9.146000 0.4022000       9.988000      0.4356000     -0.8422000      0.5929000
  1 1 1     -25  -23    5 o    3.339000      0.6183000       3.582000 0.8305000       3.097000      0.9161000      0.4843000       1.237000
  1 1 1     -25  -23    6 o    2.039000      0.5969000       1.783000 0.7706000       2.296000      0.9118000     -0.5136000       1.194000
  1 1 1     -25  -23    7 o    4.694000      0.7748000       4.036000 1.232000       5.353000      0.9394000      -1.317000       1.550000
  1 1 1     -25  -23    8 o    3.641000      0.6165000       3.754000 0.8737000       3.527000      0.8699000      0.2267000       1.233000
  1 1 1     -25  -23    9 o    9.019000      0.3348000       9.201000 0.4443000       8.837000      0.5010000      0.3638000      0.6697000
  1 1 1     -25  -23   10 o    9.718000      0.4012000       8.940000 0.4452000       10.50000      0.6676000      -1.555000      0.8024000
  1 1 1     -25  -23   11 f    3.674000      0.7214000       4.629000 0.9087000       2.718000       1.121000       1.912000       1.443000
  1 1 1     -25  -23   12 o    2.668000      0.7083000       2.309000 0.9499000       3.028000       1.051000     -0.7198000       1.417000
  1 1 1     -25  -23   13 o    5.320000      0.5288000       5.594000 0.6638000       5.047000      0.8235000      0.5461000       1.058000
  1 1 1     -25  -23   14 o    3.169000      0.6722000       4.016000 0.9292000       2.322000      0.9715000       1.694000       1.344000
  1 1 1     -25  -23   15 o    3.349000      0.7214000       3.215000 0.9990000       3.483000       1.041000     -0.2679000       1.443000
  1 1 1     -25  -23   16 o    3.371000      0.7252000       3.024000 1.046000       3.718000       1.005000     -0.6938000       1.450000
  1 1 1     -25  -23   17 o    5.044000      0.5993000       5.074000 0.8135000       5.015000      0.8804000      0.5935000E-01   1.199000
  1 1 1     -25  -23   18 o    2.631000      0.7170000       2.972000 1.058000       2.290000      0.9684000      0.6822000       1.434000
  1 1 1     -25  -23   19 o    3.427000      0.7738000       3.372000 1.088000       3.483000       1.100000     -0.1114000       1.548000
  1 1 1     -25  -23   20 o    2.065000      0.6495000       2.067000 0.9167000       2.063000      0.9203000      0.4009000E-02   1.299000
  1 1 1     -25  -23   21 o    2.312000      0.6967000       2.339000 0.9891000       2.285000      0.9814000      0.5364000E-01   1.393000
  1 1 1     -25  -23   22 o    2.202000      0.6596000       2.195000 0.9253000       2.208000      0.9402000     -0.1257000E-01   1.319000
  1 1 1     -25  -23   23 f    2.924000      0.6545000       3.810000 0.9479000       2.038000      0.9027000       1.772000       1.309000
  1 1 1     -25  -23   24 o    2.268000      0.6550000       2.870000 1.036000       1.665000      0.8023000       1.205000       1.310000
  1 1 1     -25  -22    1 o    8.693000      0.4065000       8.693000 0.4065000                  ?              ?              ?              ?
  1 1 1     -25  -22    2 o    4.736000      0.4550000       4.964000 0.5650000       4.508000      0.7133000      0.4562000      0.9099000
  1 1 1     -25  -22    3 o    7.554000      0.4860000                  ?       ?   7.554000      0.4860000                  ?              ?
  1 1 1     -25  -22    4 o    6.225000      0.3694000       6.198000 0.4875000       6.253000      0.5552000     -0.5412000E-01  0.7389000
  1 1 1     -25  -22    5 o    6.366000      0.3559000       6.750000 0.4670000       5.982000      0.5372000      0.7681000      0.7118000
  1 1 1     -25  -22    6 o    1.957000      0.5955000       1.867000 0.8134000       2.048000      0.8701000     -0.1813000       1.191000
  1 1 1     -25  -22    7 o    2.311000      0.6289000       2.479000 0.8972000       2.143000      0.8815000      0.3365000       1.258000
  1 1 1     -25  -22    8 o    9.211000      0.4622000       8.929000 0.6936000       9.492000      0.6111000     -0.5628000      0.9245000
  1 1 1     -25  -22    9 o    9.975000      0.4625000       9.928000 0.7164000       10.02000      0.5852000     -0.9477000E-01  0.9251000
  1 1 1     -25  -22   10 o    7.310000      0.3711000       7.341000 0.5118000       7.280000      0.5374000      0.6169000E-01  0.7421000
  1 1 1     -25  -22   11 o    4.123000      0.5796000       3.943000 0.8493000       4.302000      0.7890000     -0.3594000       1.159000
  1 1 1     -25  -22   12 o    8.459000      0.5156000       9.001000 0.5820000       7.917000      0.8514000       1.083000       1.031000
  1 1 1     -25  -22   13 o    3.676000      0.6856000       4.341000 0.8750000       3.010000       1.056000       1.331000       1.371000
  1 1 1     -25  -22   14 o    2.804000      0.7170000       2.483000 0.9720000       3.126000       1.054000     -0.6436000       1.434000
  1 1 1     -25  -22   15 o    3.944000      0.6836000       3.940000 0.9563000       3.948000      0.9771000     -0.8469000E-02   1.367000
  1 1 1     -25  -22   16 o    4.758000      0.6341000       5.631000 0.7062000       3.885000       1.053000       1.745000       1.268000
  1 1 1     -25  -22   17 o    3.393000      0.7189000       2.951000 1.020000       3.836000       1.013000     -0.8851000       1.438000
  1 1 1     -25  -22   18 f    4.524000      0.6923000       4.565000 0.9261000       4.483000       1.029000      0.8147000E-01   1.385000
  1 1 1     -25  -22   19 o    4.686000      0.6713000       5.092000 0.8615000       4.280000       1.030000      0.8118000       1.343000
  1 1 1     -25  -22   20 o    4.705000      0.6278000       4.376000 0.9228000       5.034000      0.8516000     -0.6575000       1.256000
  1 1 1     -25  -22   21 o    4.251000      0.6934000       4.980000 0.8687000       3.521000       1.081000       1.459000       1.387000
  1 1 1     -25  -22   22 o    2.613000      0.7329000       2.461000 1.012000       2.765000       1.060000     -0.3035000       1.466000
  1 1 1     -25  -22   23 o    2.412000      0.6957000       2.511000 0.9922000       2.312000      0.9753000      0.1984000       1.391000
  1 1 1     -25  -22   24 o    2.078000      0.6515000       2.054000 0.9086000       2.102000      0.9340000     -0.4874000E-01   1.303000
  1 1 1     -25  -22   25 o    2.357000      0.6947000       2.429000 0.9840000       2.286000      0.9809000      0.1430000       1.389000
  1 1 1     -25  -21    1 o    9.366000      0.3884000       9.366000 0.3884000                  ?              ?              ?              ?
  1 1 1     -25  -21    2 o    11.00000      0.2705000       10.91000 0.3790000       11.10000      0.3862000     -0.1920000      0.5411000
  1 1 1     -25  -21    3 o    4.846000      0.6640000                  ?       ?   4.846000      0.6640000                  ?              ?
  1 1 1     -25  -21    4 o    11.42000      0.2782000       11.31000 0.3882000       11.53000      0.3986000     -0.2146000      0.5564000
  1 1 1     -25  -21    5 o    8.963000      0.2963000       9.094000 0.4037000       8.833000      0.4339000      0.2607000      0.5927000
  1 1 1     -25  -21    6 f    7.945000      0.3206000       8.192000 0.4421000       7.699000      0.4645000      0.4932000      0.6412000
  1 1 1     -25  -21    7 o    5.456000      0.4284000       5.541000 0.5584000       5.370000      0.6498000      0.1716000      0.8567000
  1 1 1     -25  -21    8 o    3.781000      0.5911000       3.810000 0.7889000       3.752000      0.8804000      0.5848000E-01   1.182000
  1 1 1     -25  -21    9 o    3.092000      0.7935000       3.568000 1.213000       2.616000       1.023000      0.9515000       1.587000
  1 1 1     -25  -21   10 o    10.13000      0.4776000       9.279000 0.7423000       10.99000      0.6011000      -1.709000      0.9551000
  1 1 1     -25  -21   11 o    2.116000      0.6193000       1.824000 0.8026000       2.407000      0.9434000     -0.5827000       1.239000
  1 1 1     -25  -21   12 o    5.836000      0.4433000       6.334000 0.5928000       5.338000      0.6594000      0.9958000      0.8867000
  1 1 1     -25  -21   13 o    2.387000      0.7385000       2.484000 1.036000       2.290000       1.053000      0.1943000       1.477000
  1 1 1     -25  -21   14 o    5.386000      0.5480000       4.491000 0.8716000       6.281000      0.6643000      -1.789000       1.096000
  1 1 1     -25  -21   15 o    5.044000      0.5601000       4.688000 0.8045000       5.401000      0.7795000     -0.7121000       1.120000
  1 1 1     -25  -21   16 o    5.955000      0.5083000       6.777000 0.6246000       5.133000      0.8021000       1.644000       1.017000
  1 1 1     -25  -21   17 o    6.367000      0.4952000       6.217000 0.7013000       6.518000      0.6993000     -0.3007000      0.9903000
  1 1 1     -25  -21   18 o    9.174000      0.3693000       8.915000 0.4952000       9.433000      0.5481000     -0.5180000      0.7386000
  1 1 1     -25  -21   19 o    2.602000      0.6796000       1.933000 0.8746000       3.270000       1.041000      -1.337000       1.359000
  1 1 1     -25  -21   20 o    4.704000      0.6752000       5.087000 0.8669000       4.321000       1.035000      0.7662000       1.350000
  1 1 1     -25  -21   21 o    5.810000      0.5490000       6.150000 0.7145000       5.471000      0.8337000      0.6787000       1.098000
  1 1 1     -25  -21   22 o    2.846000      0.7094000       3.448000 1.050000       2.245000      0.9548000       1.203000       1.419000
  1 1 1     -25  -21   23 o    3.508000      0.7521000       3.612000 1.068000       3.405000       1.059000      0.2071000       1.504000
  1 1 1     -25  -21   24 o    2.085000      0.6507000       2.290000 0.9585000       1.880000      0.8803000      0.4105000       1.301000
  1 1 1     -25  -21   25 o    2.150000      0.6602000       2.128000 0.9252000       2.173000      0.9422000     -0.4462000E-01   1.320000
  1 1 1     -25  -20    1 o    2.237000      0.5991000       1.972000 0.7856000       2.502000      0.9048000     -0.5293000       1.198000
  1 1 1     -25  -20    2 o    4.125000      0.4710000       4.158000 0.6272000       4.091000      0.7027000      0.6650000E-01  0.9419000
  1 1 1     -25  -20    3 o    5.216000      0.4049000       5.570000 0.4951000       4.862000      0.6410000      0.7071000      0.8099000
  1 1 1     -25  -20    4 o    8.047000      0.3086000       8.096000 0.4419000       7.999000      0.4309000      0.9700000E-01  0.6172000
  1 1 1     -25  -20    5 o    6.787000      0.3358000       6.765000 0.4702000       6.810000      0.4795000     -0.4461000E-01  0.6716000
  1 1 1     -25  -20    6 o    7.089000      0.3414000       7.325000 0.4485000       6.853000      0.5148000      0.4726000      0.6827000
  1 1 1     -25  -20    7 o    2.200000      0.6070000       1.864000 0.8019000       2.536000      0.9115000     -0.6717000       1.214000
  1 1 1     -25  -20    8 o    4.702000      0.5089000       4.782000 0.6770000       4.622000      0.7599000      0.1605000       1.018000
  1 1 1     -25  -20    9 f    4.671000      0.4904000       4.788000 0.6548000       4.554000      0.7301000      0.2337000      0.9807000
  1 1 1     -25  -20   10 o    8.821000      0.4860000       9.453000 0.7032000       8.188000      0.6709000       1.266000      0.9719000
  1 1 1     -25  -20   11 o    3.683000      0.6653000       3.702000 0.7095000       3.663000       1.126000      0.3922000E-01   1.331000
  1 1 1     -25  -20   12 o    2.191000      0.6406000       1.980000 0.8689000       2.401000      0.9415000     -0.4213000       1.281000
  1 1 1     -25  -20   13 o    7.495000      0.5664000       8.210000 0.6384000       6.779000      0.9358000       1.431000       1.133000
  1 1 1     -25  -20   14 o    11.83000      0.4460000       12.00000 0.5757000       11.65000      0.6812000      0.3480000      0.8919000
  1 1 1     -25  -20   15 o    2.798000      0.7107000       2.410000 0.9622000       3.185000       1.046000     -0.7745000       1.421000
  1 1 1     -25  -20   16 o    3.621000      0.7245000       3.629000 0.9778000       3.613000       1.069000      0.1631000E-01   1.449000
  1 1 1     -25  -20   17 o    3.929000      0.6860000       3.472000 1.003000       4.385000      0.9360000     -0.9125000       1.372000
  1 1 1     -25  -20   18 o    3.344000      0.7357000       3.626000 1.012000       3.062000       1.068000      0.5640000       1.471000
  1 1 1     -25  -20   19 o    5.803000      0.5268000       5.929000 0.7010000       5.677000      0.7866000      0.2521000       1.054000
  1 1 1     -25  -20   20 o    4.037000      0.7199000       4.346000 0.9630000       3.729000       1.070000      0.6169000       1.440000
  1 1 1     -25  -20   21 o    4.143000      0.6835000       3.961000 1.002000       4.325000      0.9301000     -0.3634000       1.367000
  1 1 1     -25  -20   22 o    4.017000      0.7120000       4.162000 1.004000       3.872000       1.010000      0.2898000       1.424000
  1 1 1     -25  -20   23 o    5.592000      0.5556000       6.234000 0.7280000       4.950000      0.8395000       1.284000       1.111000
  1 1 1     -25  -20   24 o    2.777000      0.7398000       2.665000 1.025000       2.888000       1.067000     -0.2223000       1.480000
  1 1 1     -25  -20   25 o    3.153000      0.7241000       2.914000 1.021000       3.393000       1.027000     -0.4790000       1.448000
  1 1 1     -25  -20   26 o    2.405000      0.6819000       2.740000 1.017000       2.070000      0.9089000      0.6701000       1.364000
  1 1 1     -25  -19    1 o    1.950000      0.5704000       2.108000 0.8222000       1.793000      0.7908000      0.3152000       1.141000
  1 1 1     -25  -19    2 o    3.714000      0.5419000       3.140000 0.8033000       4.288000      0.7275000      -1.148000       1.084000
  1 1 1     -25  -19    3 o    7.542000      0.3080000       7.644000 0.4292000       7.440000      0.4418000      0.2032000      0.6160000
  1 1 1     -25  -19    4 o    6.254000      0.3608000       6.036000 0.4990000       6.472000      0.5213000     -0.4354000      0.7216000
  1 1 1     -25  -19    5 o    7.284000      0.3150000       7.088000 0.4447000       7.481000      0.4464000     -0.3934000      0.6301000
  1 1 1     -25  -19    6 o    5.471000      0.3968000       5.105000 0.5659000       5.838000      0.5562000     -0.7334000      0.7935000
  1 1 1     -25  -19    7 o    8.215000      0.3152000       8.732000 0.4290000       7.697000      0.4618000       1.034000      0.6304000
  1 1 1     -25  -19    8 o    9.048000      0.3073000       8.910000 0.4262000       9.185000      0.4429000     -0.2750000      0.6146000
  1 1 1     -25  -19    9 o    5.503000      0.3983000       5.303000 0.5497000       5.704000      0.5765000     -0.4014000      0.7966000
  1 1 1     -25  -19   10 o    2.482000      0.6581000       2.486000 0.9207000       2.479000      0.9406000      0.6972000E-02   1.316000
  1 1 1     -25  -19   11 o    6.911000      0.5245000       6.795000 0.7629000       7.026000      0.7201000     -0.2303000       1.049000
  1 1 1     -25  -19   12 o    3.775000      0.6316000       3.981000 0.8734000       3.569000      0.9125000      0.4124000       1.263000
  1 1 1     -25  -19   13 o    6.622000      0.4159000       6.893000 0.5632000       6.351000      0.6122000      0.5421000      0.8318000
  1 1 1     -25  -19   14 f    6.439000      0.6148000       6.673000 0.7615000       6.204000      0.9654000      0.4689000       1.230000
  1 1 1     -25  -19   15 o    4.988000      0.7614000       5.728000 0.8534000       4.248000       1.261000       1.480000       1.523000
  1 1 1     -25  -19   16 o    8.861000      0.3614000       8.950000 0.4954000       8.773000      0.5262000      0.1773000      0.7227000
  1 1 1     -25  -19   17 f    9.635000      0.3558000       9.584000 0.4889000       9.685000      0.5170000     -0.1006000      0.7116000
  1 1 1     -25  -19   18 o    4.506000      0.6570000       3.590000 1.033000       5.422000      0.8121000      -1.833000       1.314000
  1 1 1     -25  -19   19 o    3.247000      0.7387000       3.154000 1.036000       3.341000       1.054000     -0.1870000       1.477000
  1 1 1     -25  -19   20 o    6.216000      0.5253000       7.201000 0.6118000       5.230000      0.8541000       1.970000       1.051000
  1 1 1     -25  -19   21 o    3.996000      0.7140000       3.720000 1.041000       4.273000      0.9771000     -0.5528000       1.428000
  1 1 1     -25  -19   22 o    2.333000      0.6979000       2.188000 0.9577000       2.477000       1.015000     -0.2881000       1.396000
  1 1 1     -25  -19   23 o    3.426000      0.7409000       3.436000 1.071000       3.416000       1.025000      0.2022000E-01   1.482000
  1 1 1     -25  -19   24 o    3.037000      0.7231000       2.839000 1.028000       3.235000       1.018000     -0.3959000       1.446000
  1 1 1     -25  -19   25 o    5.232000      0.5544000       5.137000 0.7890000       5.327000      0.7789000     -0.1899000       1.109000
  1 1 1     -25  -19   26 o    2.409000      0.6593000       3.021000 1.018000       1.798000      0.8382000       1.224000       1.319000
  1 1 1     -25  -18    1 o    5.025000      0.4063000       4.309000 0.6105000       5.741000      0.5363000      -1.432000      0.8126000
  1 1 1     -25  -18    2 o    1.649000      0.5197000       1.659000 0.7389000       1.639000      0.7311000      0.1934000E-01   1.039000
  1 1 1     -25  -18    3 o    4.318000      0.4849000       4.376000 0.6304000       4.259000      0.7371000      0.1162000      0.9699000
  1 1 1     -25  -18    4 o    5.017000      0.4030000       4.770000 0.5467000       5.263000      0.5922000     -0.4928000      0.8060000
  1 1 1     -25  -18    5 o    14.92000      0.2818000       15.02000 0.3981000       14.81000      0.3989000      0.2077000      0.5636000
  1 1 1     -25  -18    6 o    9.840000      0.2819000       9.746000 0.3977000       9.935000      0.3997000     -0.1889000      0.5639000
  1 1 1     -25  -18    7 o    10.91000      0.2797000       10.44000 0.3952000       11.37000      0.3960000     -0.9300000      0.5595000
  1 1 1     -25  -18    8 o    7.058000      0.3341000       7.366000 0.4340000       6.751000      0.5080000      0.6152000      0.6682000
  1 1 1     -25  -18    9 o    4.235000      0.5337000       4.301000 0.7351000       4.169000      0.7740000      0.1324000       1.067000
  1 1 1     -25  -18   10 o    2.414000      0.6485000       2.541000 0.9274000       2.287000      0.9068000      0.2534000       1.297000
  1 1 1     -25  -18   11 o    11.63000      0.3718000       11.66000 0.6157000       11.60000      0.4169000      0.6639000E-01  0.7436000
  1 1 1     -25  -18   12 o    6.251000      0.5890000       5.877000 0.9321000       6.624000      0.7203000     -0.7475000       1.178000
  1 1 1     -25  -18   13 o    3.546000      0.6460000       3.754000 0.8702000       3.337000      0.9551000      0.4166000       1.292000
  1 1 1     -25  -18   14 o    5.381000      0.5122000       6.075000 0.6209000       4.688000      0.8148000       1.387000       1.024000
  1 1 1     -25  -18   15 o    5.303000      0.7312000       6.615000 0.7718000       3.990000       1.242000       2.626000       1.462000
  1 1 1     -25  -18   16 o    14.24000      0.3138000       14.21000 0.4395000       14.27000      0.4479000     -0.6799000E-01  0.6276000
  1 1 1     -25  -18   17 o    10.21000      0.3357000       9.656000 0.4747000       10.76000      0.4748000      -1.103000      0.6714000
  1 1 1     -25  -18   18 o    6.410000      0.4863000       5.500000 0.7483000       7.320000      0.6211000      -1.820000      0.9725000
  1 1 1     -25  -18   19 o    5.899000      0.5170000       5.742000 0.7248000       6.056000      0.7375000     -0.3141000       1.034000
  1 1 1     -25  -18   20 o    2.772000      0.7316000       2.493000 1.001000       3.051000       1.067000     -0.5585000       1.463000
  1 1 1     -25  -18   21 o    6.582000      0.4537000       6.753000 0.6319000       6.411000      0.6511000      0.3412000      0.9073000
  1 1 1     -25  -18   22 o    5.513000      0.5422000       5.376000 0.7724000       5.650000      0.7610000     -0.2739000       1.084000
  1 1 1     -25  -18   23 o    4.582000      0.6434000       3.616000 1.056000       5.549000      0.7359000      -1.933000       1.287000
  1 1 1     -25  -18   24 o    3.856000      0.6388000       2.671000 1.027000       5.040000      0.7597000      -2.369000       1.278000
  1 1 1     -25  -18   25 o    3.786000      0.7077000       4.147000 0.9546000       3.425000       1.045000      0.7218000       1.415000
  1 1 1     -25  -18   26 o    2.709000      0.7089000       2.931000 1.018000       2.486000      0.9873000      0.4442000       1.418000
  1 1 1     -25  -17    1 o    2.181000      0.5939000       2.046000 0.7944000       2.316000      0.8831000     -0.2705000       1.188000
  1 1 1     -25  -17    2 o    9.329000      0.3847000       9.329000 0.3847000                  ?              ?              ?              ?
  1 1 1     -25  -17    3 o    11.19000      0.2732000       11.22000 0.3776000       11.17000      0.3948000      0.5722000E-01  0.5463000
  1 1 1     -25  -17    4 o    10.48000      0.3970000                  ?       ?   10.48000      0.3970000                  ?              ?
  1 1 1     -25  -17    5 o    3.369000      0.5796000       3.883000 0.7648000       2.854000      0.8711000       1.029000       1.159000
  1 1 1     -25  -17    6 o    10.65000      0.2801000       10.73000 0.3879000       10.58000      0.4042000      0.1468000      0.5602000
  1 1 1     -25  -17    7 o    7.608000      0.3137000       7.146000 0.4437000       8.071000      0.4435000     -0.9250000      0.6273000
  1 1 1     -25  -17    8 o    5.431000      0.4192000       5.152000 0.5962000       5.709000      0.5895000     -0.5573000      0.8384000
  1 1 1     -25  -17    9 o    7.957000      0.3293000       7.826000 0.4670000       8.087000      0.4645000     -0.2610000      0.6587000
  1 1 1     -25  -17   10 o    8.199000      0.3230000       7.819000 0.4579000       8.580000      0.4557000     -0.7615000      0.6460000
  1 1 1     -25  -17   11 o    4.426000      0.5202000       4.699000 0.6587000       4.153000      0.8052000      0.5454000       1.040000
  1 1 1     -25  -17   12 o    5.957000      0.6025000       5.922000 0.9069000       5.993000      0.7933000     -0.7083000E-01   1.205000
  1 1 1     -25  -17   13 o    2.635000      0.7756000       2.531000 1.094000       2.739000       1.099000     -0.2079000       1.551000
  1 1 1     -25  -17   14 o    3.607000      0.6605000       3.579000 0.9262000       3.635000      0.9418000     -0.5559000E-01   1.321000
  1 1 1     -25  -17   15 o    5.051000      0.7268000       4.833000 0.9698000       5.269000       1.083000     -0.4358000       1.454000
  1 1 1     -25  -17   16 o    11.92000      0.4437000       11.68000 0.5911000       12.16000      0.6618000     -0.4870000      0.8874000
  1 1 1     -25  -17   17 o    6.809000      0.4201000       5.874000 0.6468000       7.745000      0.5364000      -1.871000      0.8402000
  1 1 1     -25  -17   18 o    8.392000      0.3753000       8.498000 0.5176000       8.285000      0.5437000      0.2132000      0.7506000
  1 1 1     -25  -17   19 o    4.337000      0.6494000       4.013000 0.9494000       4.661000      0.8863000     -0.6479000       1.299000
  1 1 1     -25  -17   20 o    7.335000      0.4130000       7.627000 0.5544000       7.042000      0.6123000      0.5850000      0.8260000
  1 1 1     -25  -17   21 o    9.617000      0.3675000       10.00000 0.4954000       9.232000      0.5429000      0.7711000      0.7350000
  1 1 1     -25  -17   22 o    6.096000      0.4846000       5.965000 0.6930000       6.227000      0.6774000     -0.2622000      0.9691000
  1 1 1     -25  -17   23 o    3.922000      0.6743000       3.073000 1.029000       4.771000      0.8719000      -1.698000       1.349000
  1 1 1     -25  -17   24 o    3.804000      0.7028000       3.376000 1.065000       4.233000      0.9168000     -0.8568000       1.406000
  1 1 1     -25  -17   25 o    2.351000      0.6783000       2.217000 0.9433000       2.486000      0.9749000     -0.2687000       1.357000
  1 1 1     -25  -17   26 o    2.119000      0.6379000       1.593000 0.7659000       2.644000       1.020000      -1.051000       1.276000
  1 1 1     -25  -17   27 o    3.988000      0.6671000       4.048000 0.9438000       3.928000      0.9432000      0.1192000       1.334000
  1 1 1     -25  -16    1 o    4.495000      0.4419000       4.049000 0.6581000       4.941000      0.5900000     -0.8918000      0.8839000
  1 1 1     -25  -16    2 o    12.81000      0.3723000       12.81000 0.3723000                  ?              ?              ?              ?
  1 1 1     -25  -16    3 o    6.922000      0.3229000       6.701000 0.4587000       7.144000      0.4548000     -0.4424000      0.6459000
  1 1 1     -25  -16    4 o    5.583000      0.5493000                  ?       ?   5.583000      0.5493000                  ?              ?
  1 1 1     -25  -16    5 o    12.02000      0.2705000       11.89000 0.3857000       12.15000      0.3795000     -0.2582000      0.5411000
  1 1 1     -25  -16    6 o    8.917000      0.2889000       9.130000 0.4096000       8.705000      0.4075000      0.4245000      0.5778000
  1 1 1     -25  -16    7 o    13.27000      0.2785000       13.18000 0.3892000       13.35000      0.3985000     -0.1720000      0.5571000
  1 1 1     -25  -16    8 o    7.969000      0.3227000       7.955000 0.4388000       7.983000      0.4733000     -0.2794000E-01  0.6454000
  1 1 1     -25  -16    9 o    15.08000      0.2890000       15.17000 0.4061000       14.99000      0.4112000      0.1763000      0.5779000
  1 1 1     -25  -16   10 o    9.352000      0.2978000       9.197000 0.4224000       9.508000      0.4199000     -0.3107000      0.5956000
  1 1 1     -25  -16   11 o    9.958000      0.2970000       10.09000 0.4194000       9.830000      0.4206000      0.2568000      0.5940000
  1 1 1     -25  -16   12 o    5.996000      0.4203000       6.122000 0.5697000       5.869000      0.6180000      0.2536000      0.8405000
  1 1 1     -25  -16   13 f    7.879000      0.5117000       8.291000 0.7293000       7.466000      0.7180000      0.8246000       1.023000
  1 1 1     -25  -16   14 o    7.327000      0.3672000       7.675000 0.4887000       6.980000      0.5481000      0.6953000      0.7344000
  1 1 1     -25  -16   15 o    2.973000      0.6621000       2.518000 0.9321000       3.429000      0.9404000     -0.9116000       1.324000
  1 1 1     -25  -16   16 o    4.381000      0.7246000       5.847000 0.8552000       2.916000       1.170000       2.931000       1.449000
  1 1 1     -25  -16   17 o    2.530000      0.6729000       2.747000 0.9540000       2.312000      0.9493000      0.4345000       1.346000
  1 1 1     -25  -16   18 o    12.43000      0.3144000       12.45000 0.4423000       12.42000      0.4470000      0.2693000E-01  0.6288000
  1 1 1     -25  -16   19 o    6.663000      0.4437000       6.904000 0.5885000       6.423000      0.6641000      0.4814000      0.8873000
  1 1 1     -25  -16   20 o    7.717000      0.4006000       7.353000 0.5853000       8.080000      0.5470000     -0.7271000      0.8011000
  1 1 1     -25  -16   21 o    6.386000      0.4764000       6.697000 0.6335000       6.076000      0.7117000      0.6217000      0.9528000
  1 1 1     -25  -16   22 o    8.096000      0.4000000       7.945000 0.5735000       8.247000      0.5579000     -0.3020000      0.8001000
  1 1 1     -25  -16   23 o    2.462000      0.7001000       2.509000 0.9975000       2.415000      0.9827000      0.9448000E-01   1.400000
  1 1 1     -25  -16   24 f    2.839000      0.6618000       3.828000 1.013000       1.849000      0.8515000       1.979000       1.324000
  1 1 1     -25  -16   25 o    2.476000      0.6552000       1.757000 0.8286000       3.194000       1.015000      -1.436000       1.310000
  1 1 1     -25  -16   26 o    2.089000      0.6479000       2.077000 0.9254000       2.100000      0.9071000     -0.2293000E-01   1.296000
  1 1 1     -25  -16   27 o    3.036000      0.7049000       2.690000 1.003000       3.382000      0.9911000     -0.6923000       1.410000
  1 1 1     -25  -15    1 o    15.01000      0.2752000       15.00000 0.3867000       15.01000      0.3918000     -0.1788000E-01  0.5505000
  1 1 1     -25  -15    2 o    5.236000      0.3877000       5.487000 0.4897000       4.985000      0.6012000      0.5013000      0.7754000
  1 1 1     -25  -15    3 o    7.489000      0.3051000       7.056000 0.4332000       7.921000      0.4297000     -0.8656000      0.6102000
  1 1 1     -25  -15    4 o    4.221000      0.4822000       4.268000 0.6482000       4.175000      0.7140000      0.9217000E-01  0.9644000
  1 1 1     -25  -15    5 o    3.890000      0.5248000       4.138000 0.6865000       3.642000      0.7941000      0.4957000       1.050000
  1 1 1     -25  -15    6 o    4.038000      0.5098000       3.807000 0.7715000       4.268000      0.6667000     -0.4601000       1.020000
  1 1 1     -25  -15    7 o    14.21000      0.2786000       14.13000 0.3922000       14.29000      0.3958000     -0.1624000      0.5572000
  1 1 1     -25  -15    8 f    6.696000      0.3537000       6.582000 0.4913000       6.809000      0.5089000     -0.2267000      0.7073000
  1 1 1     -25  -15    9 o    11.81000      0.2832000       11.71000 0.3967000       11.90000      0.4044000     -0.1958000      0.5665000
  1 1 1     -25  -15   10 o    6.104000      0.3893000       6.629000 0.4970000       5.579000      0.5993000       1.050000      0.7786000
  1 1 1     -25  -15   11 o    7.187000      0.3403000       7.121000 0.4687000       7.253000      0.4934000     -0.1317000      0.6805000
  1 1 1     -25  -15   12 o    13.17000      0.2903000       13.52000 0.4068000       12.83000      0.4143000      0.6950000      0.5806000
  1 1 1     -25  -15   13 o    9.502000      0.4415000       9.017000 0.6572000       9.988000      0.5899000     -0.9711000      0.8831000
  1 1 1     -25  -15   14 o    11.61000      0.4313000       11.31000 0.6357000       11.91000      0.5830000     -0.5972000      0.8625000
  1 1 1     -25  -15   15 o    5.936000      0.4454000       6.343000 0.5726000       5.530000      0.6823000      0.8123000      0.8907000
  1 1 1     -25  -15   16 o    3.860000      0.7511000       4.953000 0.9917000       2.767000       1.128000       2.186000       1.502000
  1 1 1     -25  -15   17 o    2.981000      0.8222000       2.555000 1.063000       3.406000       1.254000     -0.8507000       1.644000
  1 1 1     -25  -15   18 o    10.80000      0.3307000       10.72000 0.4664000       10.88000      0.4689000     -0.1602000      0.6613000
  1 1 1     -25  -15   19 o    8.046000      0.3863000       7.239000 0.5688000       8.853000      0.5229000      -1.614000      0.7726000
  1 1 1     -25  -15   20 f    12.65000      0.3248000       12.66000 0.4566000       12.63000      0.4622000      0.2514000E-01  0.6497000
  1 1 1     -25  -15   21 o    5.112000      0.5861000       5.962000 0.6842000       4.263000      0.9518000       1.699000       1.172000
  1 1 1     -25  -15   22 o    9.243000      0.3718000       9.275000 0.5236000       9.211000      0.5281000      0.6302000E-01  0.7437000
  1 1 1     -25  -15   23 o    2.844000      0.7368000       2.770000 1.019000       2.918000       1.064000     -0.1479000       1.474000
  1 1 1     -25  -15   24 o    2.680000      0.7244000       2.573000 1.023000       2.786000       1.026000     -0.2135000       1.449000
  1 1 1     -25  -15   25 o    4.024000      0.6960000       3.452000 1.047000       4.595000      0.9173000      -1.143000       1.392000
  1 1 1     -25  -15   26 o    3.461000      0.7305000       3.471000 1.043000       3.450000       1.023000      0.2078000E-01   1.461000
  1 1 1     -25  -15   27 o    5.012000      0.5587000       4.981000 0.7967000       5.043000      0.7836000     -0.6124000E-01   1.117000
  1 1 1     -25  -14    1 o    25.47000      0.3743000       25.62000 0.5301000       25.32000      0.5287000      0.2980000      0.7487000
  1 1 1     -25  -14    2 o    6.435000      0.3338000       6.504000 0.4445000       6.366000      0.4980000      0.1388000      0.6676000
  1 1 1     -25  -14    3 o    12.05000      0.2670000       11.84000 0.3699000       12.26000      0.3851000     -0.4210000      0.5340000
  1 1 1     -25  -14    4 o    6.744000      0.3227000       6.791000 0.4451000       6.698000      0.4674000      0.9277000E-01  0.6454000
  1 1 1     -25  -14    5 o    8.741000      0.2885000       8.805000 0.3994000       8.677000      0.4165000      0.1283000      0.5771000
  1 1 1     -25  -14    6 o    9.188000      0.2748000       9.599000 0.3827000       8.777000      0.3943000      0.8218000      0.5495000
  1 1 1     -25  -14    7 o    14.16000      0.2759000       14.01000 0.3885000       14.30000      0.3918000     -0.2912000      0.5518000
  1 1 1     -25  -14    8 o    14.53000      0.2824000       14.95000 0.3964000       14.11000      0.4023000      0.8346000      0.5648000
  1 1 1     -25  -14    9 o    3.820000      0.5518000       4.281000 0.6654000       3.358000      0.8805000      0.9231000       1.104000
  1 1 1     -25  -14   10 o    3.374000      0.5795000       4.084000 0.7297000       2.664000      0.9005000       1.420000       1.159000
  1 1 1     -25  -14   11 o    14.60000      0.2880000       14.42000 0.4077000       14.79000      0.4070000     -0.3766000      0.5761000
  1 1 1     -25  -14   12 o    5.860000      0.4039000       5.742000 0.5722000       5.978000      0.5702000     -0.2359000      0.8078000
  1 1 1     -25  -14   13 o    3.749000      0.7710000       3.961000 1.091000       3.537000       1.089000      0.4245000       1.542000
  1 1 1     -25  -14   14 o    6.350000      0.6007000       7.722000 0.7179000       4.977000      0.9634000       2.745000       1.201000
  1 1 1     -25  -14   15 f    4.665000      0.5354000       4.575000 0.7633000       4.755000      0.7511000     -0.1796000       1.071000
  1 1 1     -25  -14   16 o    4.456000      0.7883000       4.719000 1.020000       4.193000       1.202000      0.5260000       1.577000
  1 1 1     -25  -14   17 o    6.488000      0.6179000       6.280000 0.8080000       6.696000      0.9350000     -0.4155000       1.236000
  1 1 1     -25  -14   18 o    9.220000      0.3473000       8.683000 0.4949000       9.757000      0.4873000      -1.075000      0.6945000
  1 1 1     -25  -14   19 o    9.766000      0.3503000       9.984000 0.4806000       9.548000      0.5099000      0.4355000      0.7007000
  1 1 1     -25  -14   20 o    8.052000      0.4023000       7.560000 0.5834000       8.544000      0.5541000     -0.9845000      0.8046000
  1 1 1     -25  -14   21 o    6.021000      0.4999000       6.006000 0.7357000       6.037000      0.6769000     -0.3086000E-01  0.9998000
  1 1 1     -25  -14   22 o    8.076000      0.4020000       8.349000 0.5642000       7.803000      0.5728000      0.5458000      0.8040000
  1 1 1     -25  -14   23 o    2.534000      0.7092000       2.211000 0.9518000       2.857000       1.052000     -0.6462000       1.418000
  1 1 1     -25  -14   24 o    2.470000      0.6916000       2.922000 1.044000       2.017000      0.9075000      0.9051000       1.383000
  1 1 1     -25  -14   25 o    6.601000      0.4618000       6.726000 0.6521000       6.477000      0.6540000      0.2495000      0.9236000
  1 1 1     -25  -14   26 o    2.241000      0.6669000       2.273000 0.9579000       2.208000      0.9280000      0.6528000E-01   1.334000
  1 1 1     -25  -14   27 o    3.217000      0.6926000       2.816000 1.001000       3.618000      0.9574000     -0.8023000       1.385000
  1 1 1     -25  -14   28 o    2.958000       1.068000                  ?       ?   2.958000       1.068000                  ?              ?
  1 1 1     -25  -13    1 o    19.41000      0.3088000       19.10000 0.4291000       19.72000      0.4443000     -0.6233000      0.6177000
  1 1 1     -25  -13    2 o    7.225000      0.2990000       7.445000 0.3972000       7.004000      0.4471000      0.4406000      0.5980000
  1 1 1     -25  -13    3 o    8.885000      0.3829000       8.885000 0.3829000                  ?              ?              ?              ?
  1 1 1     -25  -13    4 o    14.55000      0.2736000       14.01000 0.3809000       15.08000      0.3929000      -1.064000      0.5472000
  1 1 1     -25  -13    5 o    14.95000      0.3944000                  ?       ?   14.95000      0.3944000                  ?              ?
  1 1 1     -25  -13    6 o    6.948000      0.3175000       7.276000 0.4300000       6.620000      0.4671000      0.6559000      0.6349000
  1 1 1     -25  -13    7 o    10.94000      0.2674000       11.01000 0.3742000       10.88000      0.3821000      0.1296000      0.5348000
  1 1 1     -25  -13    8 o    7.562000      0.3092000       7.127000 0.4508000       7.997000      0.4234000     -0.8700000      0.6185000
  1 1 1     -25  -13    9 o    9.399000      0.2883000       9.087000 0.4077000       9.710000      0.4079000     -0.6221000      0.5767000
  1 1 1     -25  -13   10 o    3.127000      0.6174000       2.851000 0.8660000       3.403000      0.8801000     -0.5521000       1.235000
  1 1 1     -25  -13   11 o    20.78000      0.3352000       20.69000 0.4720000       20.87000      0.4760000     -0.1887000      0.6703000
  1 1 1     -25  -13   12 o    6.543000      0.3713000       5.856000 0.5667000       7.231000      0.4799000      -1.375000      0.7426000
  1 1 1     -25  -13   13 o    4.401000      0.5460000       3.344000 0.8983000       5.458000      0.6210000      -2.114000       1.092000
  1 1 1     -25  -13   14 o    14.72000      0.4242000       14.86000 0.6184000       14.59000      0.5808000      0.2735000      0.8484000
  1 1 1     -25  -13   15 o    6.751000      0.3821000       6.969000 0.5279000       6.532000      0.5526000      0.4367000      0.7642000
  1 1 1     -25  -13   16 o    6.365000      0.4352000       6.778000 0.5719000       5.953000      0.6563000      0.8257000      0.8705000
  1 1 1     -25  -13   17 o    6.497000      0.6521000       6.922000 0.7517000       6.071000       1.066000      0.8506000       1.304000
  1 1 1     -25  -13   18 o    2.040000      0.6242000       1.605000 0.7662000       2.474000      0.9857000     -0.8690000       1.248000
  1 1 1     -25  -13   19 o    13.96000      0.3235000       13.99000 0.4540000       13.93000      0.4610000      0.5826000E-01  0.6470000
  1 1 1     -25  -13   20 o    4.063000      0.7049000       3.827000 1.026000       4.299000      0.9673000     -0.4719000       1.410000
  1 1 1     -25  -13   21 o    7.572000      0.4190000       7.548000 0.6097000       7.595000      0.5749000     -0.4684000E-01  0.8380000
  1 1 1     -25  -13   22 o    5.606000      0.5252000       6.050000 0.6897000       5.162000      0.7922000      0.8878000       1.050000
  1 1 1     -25  -13   23 o    6.004000      0.5201000       5.059000 0.8270000       6.950000      0.6311000      -1.890000       1.040000
  1 1 1     -25  -13   24 o    2.890000      0.7242000       2.512000 1.001000       3.268000       1.046000     -0.7555000       1.448000
  1 1 1     -25  -13   25 o    6.598000      0.4630000       6.740000 0.6494000       6.456000      0.6601000      0.2844000      0.9260000
  1 1 1     -25  -13   26 f    5.959000      0.5083000       5.210000 0.8135000       6.708000      0.6097000      -1.498000       1.017000
  1 1 1     -25  -13   27 o    3.363000      0.6549000       2.399000 0.9739000       4.327000      0.8757000      -1.928000       1.310000
  1 1 1     -25  -13   28 o    3.443000      0.6933000       3.892000 0.9540000       2.994000       1.006000      0.8983000       1.387000
  1 1 1     -25  -12    1 o    1.707000      0.5298000       1.760000 0.7516000       1.654000      0.7470000      0.1060000       1.060000
  1 1 1     -25  -12    2 o    19.56000      0.3125000       19.39000 0.4375000       19.73000      0.4465000     -0.3412000      0.6251000
  1 1 1     -25  -12    3 o    8.235000      0.3916000       8.235000 0.3916000                  ?              ?              ?              ?
  1 1 1     -25  -12    4 o    12.38000      0.2652000       12.75000 0.3716000       12.01000      0.3785000      0.7435000      0.5304000
  1 1 1     -25  -12    5 o    7.632000      0.4343000                  ?       ?   7.632000      0.4343000                  ?              ?
  1 1 1     -25  -12    6 o    8.546000      0.2831000       8.618000 0.3996000       8.474000      0.4011000      0.1437000      0.5662000
  1 1 1     -25  -12    7 o    5.604000      0.3745000       6.087000 0.4770000       5.121000      0.5775000      0.9655000      0.7490000
  1 1 1     -25  -12    8 o    10.35000      0.2749000       10.51000 0.3837000       10.20000      0.3939000      0.3116000      0.5499000
  1 1 1     -25  -12    9 o    12.69000      0.2776000       12.39000 0.3898000       13.00000      0.3953000     -0.6111000      0.5551000
  1 1 1     -25  -12   10 o    6.692000      0.3506000       6.642000 0.4946000       6.741000      0.4969000     -0.9868000E-01  0.7011000
  1 1 1     -25  -12   11 o    19.39000      0.3205000       19.12000 0.4492000       19.65000      0.4572000     -0.5302000      0.6410000
  1 1 1     -25  -12   12 o    9.332000      0.3017000       9.507000 0.4214000       9.157000      0.4319000      0.3505000      0.6034000
  1 1 1     -25  -12   13 o    5.546000      0.4274000       5.900000 0.5628000       5.193000      0.6435000      0.7072000      0.8549000
  1 1 1     -25  -12   14 o    7.602000      0.5051000       7.595000 0.7285000       7.609000      0.6998000     -0.1388000E-01   1.010000
  1 1 1     -25  -12   15 o    6.639000      0.3969000       6.310000 0.5725000       6.969000      0.5500000     -0.6588000      0.7939000
  1 1 1     -25  -12   16 o    8.451000      0.3464000       8.688000 0.4858000       8.214000      0.4940000      0.4731000      0.6928000
  1 1 1     -25  -12   17 o    3.808000      0.8128000       3.405000 1.093000       4.211000       1.203000     -0.8062000       1.626000
  1 1 1     -25  -12   18 o    6.799000      0.4017000       6.870000 0.5537000       6.728000      0.5822000      0.1424000      0.8034000
  1 1 1     -25  -12   19 o    17.22000      0.3267000       16.84000 0.4592000       17.59000      0.4649000     -0.7593000      0.6535000
  1 1 1     -25  -12   20 o    3.462000      0.7362000       3.569000 1.039000       3.354000       1.043000      0.2148000       1.472000
  1 1 1     -25  -12   21 o    1.939000      0.6194000       1.745000 0.8210000       2.132000      0.9276000     -0.3865000       1.239000
  1 1 1     -25  -12   22 o    10.01000      0.3497000       9.327000 0.5096000       10.69000      0.4789000      -1.363000      0.6993000
  1 1 1     -25  -12   23 o    5.988000      0.4990000       5.743000 0.7179000       6.233000      0.6933000     -0.4899000      0.9980000
  1 1 1     -25  -12   24 o    2.097000      0.6513000       2.099000 0.9216000       2.095000      0.9206000      0.3752000E-02   1.303000
  1 1 1     -25  -12   25 o    3.130000      0.7316000       3.109000 1.049000       3.150000       1.020000     -0.4140000E-01   1.463000
  1 1 1     -25  -12   26 o    3.700000      0.6710000       2.819000 1.046000       4.581000      0.8408000      -1.762000       1.342000
  1 1 1     -25  -12   27 o    2.080000      0.6415000       2.293000 0.9613000       1.866000      0.8498000      0.4277000       1.283000
  1 1 1     -25  -12   28 o    3.127000      0.7204000       3.336000 1.012000       2.917000       1.025000      0.4195000       1.441000
  1 1 1     -25  -11    1 o    8.283000      0.3785000       8.211000 0.5134000       8.355000      0.5564000     -0.1445000      0.7571000
  1 1 1     -25  -11    2 o    15.61000      0.2758000       15.41000 0.3826000       15.81000      0.3972000     -0.3999000      0.5515000
  1 1 1     -25  -11    3 o    6.790000      0.3055000       6.807000 0.4294000       6.773000      0.4345000      0.3421000E-01  0.6109000
  1 1 1     -25  -11    4 o    4.018000      0.4942000       3.788000 0.7135000       4.249000      0.6838000     -0.4608000      0.9883000
  1 1 1     -25  -11    5 f    15.53000      0.2789000       15.57000 0.3914000       15.49000      0.3974000      0.8031000E-01  0.5578000
  1 1 1     -25  -11    6 o    2.433000      0.6071000       2.604000 0.8576000       2.261000      0.8594000      0.3433000       1.214000
  1 1 1     -25  -11    7 o    11.22000      0.2687000       11.27000 0.3822000       11.18000      0.3778000      0.8869000E-01  0.5374000
  1 1 1     -25  -11    8 o    3.387000      0.5598000       2.814000 0.8502000       3.961000      0.7284000      -1.146000       1.120000
  1 1 1     -25  -11    9 o    8.309000      0.2999000       8.683000 0.4120000       7.936000      0.4358000      0.7478000      0.5997000
  1 1 1     -25  -11   10 o    16.12000      0.2943000       16.17000 0.4152000       16.08000      0.4171000      0.8294000E-01  0.5885000
  1 1 1     -25  -11   11 f    4.216000      0.5154000       4.790000 0.6364000       3.642000      0.8110000       1.148000       1.031000
  1 1 1     -25  -11   12 o    13.74000      0.2862000       13.71000 0.4058000       13.76000      0.4037000     -0.5069000E-01  0.5724000
  1 1 1     -25  -11   13 o    5.861000      0.4123000       5.334000 0.6198000       6.388000      0.5439000      -1.054000      0.8245000
  1 1 1     -25  -11   14 o    5.016000      0.6760000       5.850000 0.8625000       4.182000       1.041000       1.668000       1.352000
  1 1 1     -25  -11   15 o    4.170000      0.5798000       4.145000 0.8293000       4.195000      0.8107000     -0.5049000E-01   1.160000
  1 1 1     -25  -11   16 f    3.025000      0.6476000       3.638000 0.9008000       2.412000      0.9306000       1.225000       1.295000
  1 1 1     -25  -11   17 o    3.523000      0.7620000       2.258000 1.006000       4.788000       1.144000      -2.530000       1.524000
  1 1 1     -25  -11   18 o    9.228000      0.3392000       9.311000 0.4712000       9.145000      0.4882000      0.1660000      0.6785000
  1 1 1     -25  -11   19 o    6.067000      0.4703000       5.531000 0.7118000       6.604000      0.6148000      -1.074000      0.9406000
  1 1 1     -25  -11   20 o    5.461000      0.5423000       6.015000 0.6905000       4.907000      0.8366000       1.108000       1.085000
  1 1 1     -25  -11   21 o    2.601000      0.6876000       2.097000 0.9209000       3.105000       1.021000      -1.008000       1.375000
  1 1 1     -25  -11   22 o    7.709000      0.4031000       7.027000 0.6174000       8.392000      0.5185000      -1.365000      0.8062000
  1 1 1     -25  -11   23 o    3.790000      0.6946000       4.117000 0.9355000       3.462000       1.027000      0.6554000       1.389000
  1 1 1     -25  -11   24 o    3.413000      0.7195000       3.557000 1.014000       3.269000       1.021000      0.2880000       1.439000
  1 1 1     -25  -11   25 o    5.705000      0.5046000       6.027000 0.6821000       5.384000      0.7437000      0.6425000       1.009000
  1 1 1     -25  -11   26 o    2.768000      0.7033000       3.113000 1.028000       2.422000      0.9599000      0.6918000       1.407000
  1 1 1     -25  -11   27 o    3.127000      0.7249000       3.139000 1.040000       3.115000       1.010000      0.2407000E-01   1.450000
  1 1 1     -25  -11   28 o    4.441000      0.6058000       4.594000 0.8328000       4.289000      0.8799000      0.3054000       1.212000
  1 1 1     -25  -10    1 o    17.11000      0.4013000       17.94000 0.5761000       16.28000      0.5587000       1.663000      0.8025000
  1 1 1     -25  -10    2 o    12.00000      0.2571000       11.65000 0.3577000       12.34000      0.3693000     -0.6962000      0.5142000
  1 1 1     -25  -10    3 o    8.567000      0.2803000       8.584000 0.3938000       8.549000      0.3990000      0.3496000E-01  0.5606000
  1 1 1     -25  -10    4 o    2.385000      0.5849000       2.096000 0.7996000       2.674000      0.8539000     -0.5773000       1.170000
  1 1 1     -25  -10    5 o    15.66000      0.2812000       15.58000 0.3961000       15.74000      0.3992000     -0.1578000      0.5624000
  1 1 1     -25  -10    6 o    7.172000      0.3112000       7.027000 0.4425000       7.316000      0.4377000     -0.2885000      0.6224000
  1 1 1     -25  -10    7 o    8.472000      0.2948000       9.012000 0.4013000       7.932000      0.4320000       1.080000      0.5897000
  1 1 1     -25  -10    8 o    18.61000      0.3080000       18.28000 0.4306000       18.95000      0.4404000     -0.6749000      0.6160000
  1 1 1     -25  -10    9 o    3.716000      0.5423000       3.202000 0.8285000       4.230000      0.6999000      -1.028000       1.085000
  1 1 1     -25  -10   10 o    14.77000      0.2846000       14.76000 0.3996000       14.78000      0.4055000     -0.1392000E-01  0.5693000
  1 1 1     -25  -10   11 o    12.04000      0.2790000       12.37000 0.3958000       11.71000      0.3934000      0.6515000      0.5580000
  1 1 1     -25  -10   12 f    5.419000      0.4229000       5.623000 0.5700000       5.214000      0.6250000      0.4088000      0.8459000
  1 1 1     -25  -10   13 o    5.975000      0.3962000       5.902000 0.5586000       6.048000      0.5619000     -0.1462000      0.7923000
  1 1 1     -25  -10   14 o    6.865000      0.5122000       6.742000 0.7511000       6.988000      0.6966000     -0.2461000       1.024000
  1 1 1     -25  -10   15 o    3.039000      0.6408000       2.406000 0.9241000       3.672000      0.8881000      -1.266000       1.282000
  1 1 1     -25  -10   16 o    3.264000      0.6526000       3.855000 0.8874000       2.673000      0.9570000       1.181000       1.305000
  1 1 1     -25  -10   17 o    3.321000      0.8103000       3.725000 1.142000       2.917000       1.150000      0.8082000       1.621000
  1 1 1     -25  -10   18 o    13.95000      0.3118000       13.64000 0.4415000       14.26000      0.4403000     -0.6263000      0.6236000
  1 1 1     -25  -10   19 o    4.833000      0.5699000       4.940000 0.7854000       4.726000      0.8259000      0.2138000       1.140000
  1 1 1     -25  -10   20 o    4.202000      0.6662000       4.666000 0.8834000       3.738000      0.9974000      0.9283000       1.332000
  1 1 1     -25  -10   21 o    2.078000      0.6452000       2.119000 0.9271000       2.037000      0.8974000      0.8247000E-01   1.290000
  1 1 1     -25  -10   22 o    3.934000      0.6764000       3.658000 1.009000       4.209000      0.9006000     -0.5511000       1.353000
  1 1 1     -25  -10   23 o    2.945000      0.7194000       3.179000 1.028000       2.710000       1.007000      0.4691000       1.439000
  1 1 1     -25  -10   24 o    3.687000      0.6785000       4.430000 0.8801000       2.943000       1.033000       1.488000       1.357000
  1 1 1     -25  -10   25 o    4.073000      0.6648000       4.129000 0.9391000       4.018000      0.9411000      0.1117000       1.330000
  1 1 1     -25  -10   26 o    3.484000      0.7070000       3.205000 1.040000       3.762000      0.9575000     -0.5569000       1.414000
  1 1 1     -25  -10   27 o    3.517000      0.6697000       4.284000 0.8953000       2.750000      0.9963000       1.534000       1.339000
  1 1 1     -25  -10   28 o    2.471000      0.6817000       2.160000 0.9211000       2.781000       1.005000     -0.6212000       1.363000
  1 1 1     -25   -9    1 o    6.681000      0.4091000       6.494000 0.5707000       6.867000      0.5863000     -0.3729000      0.8182000
  1 1 1     -25   -9    2 o    2.259000      0.5761000       2.289000 0.8050000       2.229000      0.8243000      0.5967000E-01   1.152000
  1 1 1     -25   -9    3 o    12.32000      0.2645000       11.87000 0.3668000       12.78000      0.3813000     -0.9069000      0.5291000
  1 1 1     -25   -9    4 f    6.941000      0.3061000       7.062000 0.4252000       6.819000      0.4405000      0.2435000      0.6122000
  1 1 1     -25   -9    5 o    4.832000      0.3959000       4.829000 0.5489000       4.834000      0.5708000     -0.5313000E-02  0.7919000
  1 1 1     -25   -9    6 o    14.77000      0.2766000       14.24000 0.3802000       15.30000      0.4019000      -1.059000      0.5533000
  1 1 1     -25   -9    7 o    11.45000      0.2687000       11.68000 0.3811000       11.22000      0.3788000      0.4687000      0.5373000
  1 1 1     -25   -9    8 o    17.45000      0.2989000       17.37000 0.4225000       17.53000      0.4230000     -0.1586000      0.5979000
  1 1 1     -25   -9    9 o    15.91000      0.2889000       15.89000 0.4100000       15.93000      0.4073000     -0.3850000E-01  0.5779000
  1 1 1     -25   -9   10 o    15.18000      0.2848000       15.12000 0.4025000       15.24000      0.4029000     -0.1248000      0.5695000
  1 1 1     -25   -9   11 o    18.01000      0.3082000       18.01000 0.4362000       18.02000      0.4356000     -0.9460000E-02  0.6165000
  1 1 1     -25   -9   12 o    14.82000      0.2914000       15.28000 0.4157000       14.36000      0.4086000      0.9160000      0.5829000
  1 1 1     -25   -9   13 o    8.220000      0.3200000       8.356000 0.4402000       8.083000      0.4646000      0.2728000      0.6400000
  1 1 1     -25   -9   14 o    12.45000      0.4085000       11.80000 0.5878000       13.09000      0.5674000      -1.291000      0.8170000
  1 1 1     -25   -9   15 o    2.066000      0.6094000       2.336000 0.9145000       1.796000      0.8057000      0.5395000       1.219000
  1 1 1     -25   -9   16 o    8.606000      0.3362000       8.591000 0.4834000       8.620000      0.4673000     -0.2896000E-01  0.6723000
  1 1 1     -25   -9   17 o    4.315000      0.7980000       4.637000 1.088000       3.992000       1.167000      0.6444000       1.596000
  1 1 1     -25   -9   18 o    11.90000      0.3067000       12.03000 0.4350000       11.77000      0.4324000      0.2545000      0.6134000
  1 1 1     -25   -9   19 o    14.45000      0.3127000       14.20000 0.4417000       14.70000      0.4427000     -0.5021000      0.6254000
  1 1 1     -25   -9   20 o    8.627000      0.3660000       8.523000 0.5240000       8.730000      0.5113000     -0.2069000      0.7321000
  1 1 1     -25   -9   21 o    5.847000      0.4879000       5.719000 0.7099000       5.975000      0.6696000     -0.2568000      0.9759000
  1 1 1     -25   -9   22 o    3.345000      0.7260000       3.058000 1.052000       3.632000       1.001000     -0.5734000       1.452000
  1 1 1     -25   -9   23 o    4.623000      0.5999000       5.417000 0.7490000       3.829000      0.9372000       1.588000       1.200000
  1 1 1     -25   -9   24 o    6.933000      0.4357000       6.488000 0.6485000       7.378000      0.5821000     -0.8908000      0.8714000
  1 1 1     -25   -9   25 o    4.963000      0.5545000       5.464000 0.7267000       4.462000      0.8378000       1.002000       1.109000
  1 1 1     -25   -9   26 o    2.732000      0.6949000       3.081000 1.016000       2.382000      0.9486000      0.6986000       1.390000
  1 1 1     -25   -9   27 o    3.080000      0.7052000       3.426000 1.004000       2.735000      0.9902000      0.6907000       1.410000
  1 1 1     -25   -9   28 o    2.380000      0.6517000       1.984000 0.8677000       2.776000      0.9726000     -0.7921000       1.303000
  1 1 1     -25   -8    1 f    14.81000      0.3752000       14.90000 0.5267000       14.72000      0.5346000      0.1826000      0.7504000
  1 1 1     -25   -8    2 o    4.523000      0.3946000       4.472000 0.5514000       4.574000      0.5647000     -0.1021000      0.7893000
  1 1 1     -25   -8    3 o    12.32000      0.2582000       12.38000 0.3608000       12.27000      0.3694000      0.1072000      0.5164000
  1 1 1     -25   -8    4 o    9.364000      0.3709000       9.364000 0.3709000                  ?              ?              ?              ?
  1 1 1     -25   -8    5 o    5.911000      0.3425000       5.247000 0.5215000       6.574000      0.4442000      -1.327000      0.6850000
  1 1 1     -25   -8    6 o    16.90000      0.4099000                  ?       ?   16.90000      0.4099000                  ?              ?
  1 1 1     -25   -8    7 o    3.064000      0.5733000       2.730000 0.8336000       3.397000      0.7871000     -0.6678000       1.147000
  1 1 1     -25   -8    8 f    14.54000      0.2766000       14.29000 0.3871000       14.79000      0.3952000     -0.4976000      0.5531000
  1 1 1     -25   -8    9 o    21.98000      0.3407000       22.14000 0.4837000       21.82000      0.4798000      0.3170000      0.6813000
  1 1 1     -25   -8   10 o    14.84000      0.2825000       14.69000 0.3970000       14.98000      0.4021000     -0.2844000      0.5650000
  1 1 1     -25   -8   11 o    16.96000      0.2989000       16.65000 0.4184000       17.26000      0.4269000     -0.6043000      0.5977000
  1 1 1     -25   -8   12 o    17.90000      0.3079000       18.19000 0.4387000       17.61000      0.4321000      0.5751000      0.6158000
  1 1 1     -25   -8   13 o    9.527000      0.2975000       9.748000 0.4181000       9.306000      0.4235000      0.4420000      0.5951000
  1 1 1     -25   -8   14 o    11.37000      0.4050000       10.67000 0.5840000       12.08000      0.5612000      -1.413000      0.8099000
  1 1 1     -25   -8   15 o    4.769000      0.4887000       4.944000 0.6837000       4.593000      0.6984000      0.3507000      0.9773000
  1 1 1     -25   -8   16 o    2.359000      0.6114000       1.652000 0.7805000       3.066000      0.9413000      -1.414000       1.223000
  1 1 1     -25   -8   17 o    5.316000      0.7082000       5.692000 0.9289000       4.941000       1.069000      0.7512000       1.416000
  1 1 1     -25   -8   18 o    13.09000      0.3811000       13.24000 0.4354000       12.93000      0.6256000      0.3096000      0.7622000
  1 1 1     -25   -8   19 o    4.034000      0.6515000       4.189000 0.8998000       3.880000      0.9423000      0.3087000       1.303000
  1 1 1     -25   -8   20 o    3.192000      0.7097000       3.536000 1.002000       2.847000       1.005000      0.6893000       1.419000
  1 1 1     -25   -8   21 o    7.763000      0.3776000       7.710000 0.5452000       7.816000      0.5226000     -0.1067000      0.7552000
  1 1 1     -25   -8   22 o    3.766000      0.6893000       4.081000 0.9552000       3.452000      0.9942000      0.6291000       1.379000
  1 1 1     -25   -8   23 o    4.767000      0.5775000       4.433000 0.8691000       5.100000      0.7606000     -0.6673000       1.155000
  1 1 1     -25   -8   24 o    3.180000      0.6832000       2.557000 0.9765000       3.803000      0.9558000      -1.246000       1.366000
  1 1 1     -25   -8   25 o    1.824000      0.5885000       1.929000 0.8637000       1.720000      0.7996000      0.2091000       1.177000
  1 1 1     -25   -8   26 o    3.053000      0.6806000       2.344000 0.9728000       3.762000      0.9520000      -1.418000       1.361000
  1 1 1     -25   -8   27 o    2.789000      0.6910000       2.865000 0.9981000       2.713000      0.9558000      0.1514000       1.382000
  1 1 1     -25   -8   28 f    3.730000      0.8065000       4.499000 1.120000       2.961000       1.161000       1.538000       1.613000
  1 1 1     -25   -7    1 o    6.738000      0.4218000       6.863000 0.5635000       6.613000      0.6277000      0.2506000      0.8436000
  1 1 1     -25   -7    2 o    4.834000      0.3770000       4.828000 0.5214000       4.840000      0.5447000     -0.1193000E-01  0.7541000
  1 1 1     -25   -7    3 o    10.02000      0.2574000       10.20000 0.3605000       9.829000      0.3675000      0.3731000      0.5148000
  1 1 1     -25   -7    4 o    20.52000      0.4525000       20.52000 0.4525000                  ?              ?              ?              ?
  1 1 1     -25   -7    5 f    5.011000      0.3751000       4.949000 0.5287000       5.073000      0.5322000     -0.1245000      0.7502000
  1 1 1     -25   -7    6 o    8.629000      0.3907000                  ?       ?   8.629000      0.3907000                  ?              ?
  1 1 1     -25   -7    7 o    14.01000      0.2718000       13.97000 0.3848000       14.06000      0.3841000     -0.9867000E-01  0.5437000
  1 1 1     -25   -7    8 o    1.888000      0.5493000       1.923000 0.7849000       1.853000      0.7688000      0.6959000E-01   1.099000
  1 1 1     -25   -7    9 o    8.005000      0.2960000       8.120000 0.4148000       7.890000      0.4223000      0.2302000      0.5919000
  1 1 1     -25   -7   10 o    4.616000      0.4398000       4.705000 0.6046000       4.528000      0.6388000      0.1769000      0.8796000
  1 1 1     -25   -7   11 o    5.953000      0.3626000       6.290000 0.5039000       5.616000      0.5215000      0.6739000      0.7252000
  1 1 1     -25   -7   12 o    5.930000      0.3776000       5.939000 0.5268000       5.922000      0.5411000      0.1705000E-01  0.7552000
  1 1 1     -25   -7   13 o    4.033000      0.5435000       3.233000 0.8655000       4.833000      0.6576000      -1.599000       1.087000
  1 1 1     -25   -7   14 o    11.36000      0.3978000       10.80000 0.5651000       11.92000      0.5601000      -1.127000      0.7956000
  1 1 1     -25   -7   15 o    4.280000      0.5382000       4.956000 0.6535000       3.605000      0.8552000       1.350000       1.076000
  1 1 1     -25   -7   16 o    9.436000      0.4493000       8.551000 0.6480000       10.32000      0.6225000      -1.769000      0.8986000
  1 1 1     -25   -7   17 o    10.67000      0.4403000       10.33000 0.6183000       11.01000      0.6271000     -0.6838000      0.8806000
  1 1 1     -25   -7   18 o    8.193000      0.3520000       8.326000 0.4909000       8.059000      0.5046000      0.2670000      0.7039000
  1 1 1     -25   -7   19 o    9.276000      0.3401000       9.888000 0.4735000       8.665000      0.4884000       1.223000      0.6803000
  1 1 1     -25   -7   20 f    5.975000      0.4625000       5.920000 0.6651000       6.029000      0.6430000     -0.1090000      0.9251000
  1 1 1     -25   -7   21 o    8.614000      0.3506000       8.213000 0.5071000       9.015000      0.4842000     -0.8028000      0.7012000
  1 1 1     -25   -7   22 o    7.032000      0.4118000       7.270000 0.5761000       6.794000      0.5885000      0.4758000      0.8236000
  1 1 1     -25   -7   23 o    1.841000      0.5860000       1.675000 0.7854000       2.006000      0.8700000     -0.3309000       1.172000
  1 1 1     -25   -7   24 o    2.493000      0.6757000       2.203000 0.9157000       2.783000      0.9939000     -0.5800000       1.351000
  1 1 1     -25   -7   25 o    6.709000      0.4244000       6.668000 0.6102000       6.751000      0.5900000     -0.8344000E-01  0.8488000
  1 1 1     -25   -7   26 o    2.817000      0.6892000       3.134000 1.004000       2.500000      0.9443000      0.6334000       1.378000
  1 1 1     -25   -7   27 o    3.842000      0.6506000       3.449000 0.9876000       4.234000      0.8472000     -0.7851000       1.301000
  1 1 1     -25   -6    1 o    15.56000      0.2701000       15.78000 0.3829000       15.34000      0.3812000      0.4341000      0.5403000
  1 1 1     -25   -6    2 o    5.858000      0.3103000       5.746000 0.4348000       5.970000      0.4428000     -0.2241000      0.6206000
  1 1 1     -25   -6    3 o    8.611000      0.2615000       8.410000 0.3673000       8.812000      0.3724000     -0.4019000      0.5231000
  1 1 1     -25   -6    4 o    14.57000      0.2685000       14.56000 0.3776000       14.58000      0.3818000     -0.1614000E-01  0.5370000
  1 1 1     -25   -6    5 o    2.099000      0.5378000       2.584000 0.8020000       1.614000      0.7168000      0.9701000       1.076000
  1 1 1     -25   -6    6 o    9.642000      0.2630000       9.388000 0.3710000       9.896000      0.3730000     -0.5074000      0.5261000
  1 1 1     -25   -6    7 o    2.631000      0.5478000       2.108000 0.7981000       3.153000      0.7505000      -1.045000       1.096000
  1 1 1     -25   -6    8 o    7.723000      0.2925000       7.649000 0.4186000       7.796000      0.4087000     -0.1475000      0.5850000
  1 1 1     -25   -6    9 o    13.35000      0.2703000       13.21000 0.3837000       13.49000      0.3809000     -0.2791000      0.5406000
  1 1 1     -25   -6   10 o    4.733000      0.4134000       4.400000 0.6249000       5.065000      0.5414000     -0.6643000      0.8268000
  1 1 1     -25   -6   11 o    9.320000      0.2813000       9.664000 0.3925000       8.976000      0.4029000      0.6878000      0.5625000
  1 1 1     -25   -6   12 o    8.216000      0.3068000       8.511000 0.4313000       7.922000      0.4364000      0.5889000      0.6136000
  1 1 1     -25   -6   13 o    4.901000      0.6431000       3.587000 1.077000       6.214000      0.7026000      -2.627000       1.286000
  1 1 1     -25   -6   14 o    12.28000      0.3956000       12.03000 0.5690000       12.53000      0.5496000     -0.5017000      0.7911000
  1 1 1     -25   -6   15 o    13.19000      0.2880000       13.33000 0.4067000       13.06000      0.4079000      0.2666000      0.5760000
  1 1 1     -25   -6   16 o    7.409000      0.5093000       7.856000 0.6695000       6.961000      0.7676000      0.8950000       1.019000
  1 1 1     -25   -6   17 o    8.605000      0.3173000       8.892000 0.4479000       8.319000      0.4495000      0.5733000      0.6346000
  1 1 1     -25   -6   18 o    4.884000      0.5185000       4.645000 0.7621000       5.123000      0.7032000     -0.4780000       1.037000
  1 1 1     -25   -6   19 o    7.911000      0.3666000       8.486000 0.4980000       7.336000      0.5382000       1.150000      0.7333000
  1 1 1     -25   -6   20 o    11.57000      0.3168000       10.95000 0.4587000       12.19000      0.4370000      -1.240000      0.6336000
  1 1 1     -25   -6   21 o    9.475000      0.3374000       9.816000 0.4643000       9.135000      0.4898000      0.6808000      0.6749000
  1 1 1     -25   -6   22 o    7.725000      0.3671000       7.981000 0.5126000       7.469000      0.5257000      0.5119000      0.7343000
  1 1 1     -25   -6   23 o    2.304000      0.6590000       2.605000 0.9874000       2.003000      0.8729000      0.6018000       1.318000
  1 1 1     -25   -6   24 o    4.081000      0.6285000       4.257000 0.8707000       3.906000      0.9066000      0.3509000       1.257000
  1 1 1     -25   -6   25 o    5.781000      0.4747000       6.318000 0.6224000       5.244000      0.7168000       1.074000      0.9493000
  1 1 1     -25   -6   26 o    2.757000      0.7063000       2.717000 1.010000       2.796000      0.9880000     -0.7908000E-01   1.413000
  1 1 1     -25   -6   27 o    6.170000      0.4266000       6.257000 0.6003000       6.083000      0.6064000      0.1746000      0.8533000
  1 1 1     -25   -5    1 o    9.412000      0.2504000       9.463000 0.3519000       9.361000      0.3562000      0.1013000      0.5008000
  1 1 1     -25   -5    2 o    1.584000      0.4899000       1.485000 0.6640000       1.683000      0.7206000     -0.1978000      0.9799000
  1 1 1     -25   -5    3 o    4.972000      0.3533000       4.945000 0.4880000       5.000000      0.5110000     -0.5549000E-01  0.7066000
  1 1 1     -25   -5    4 o    2.680000      0.5069000       1.704000 0.7333000       3.656000      0.7000000      -1.952000       1.014000
  1 1 1     -25   -5    5 o    6.052000      0.3274000       6.409000 0.4314000       5.695000      0.4926000      0.7142000      0.6549000
  1 1 1     -25   -5    6 o    2.451000      0.5828000       2.559000 0.8193000       2.343000      0.8292000      0.2158000       1.166000
  1 1 1     -25   -5    7 o    12.87000      0.2662000       12.67000 0.3796000       13.07000      0.3735000     -0.3916000      0.5325000
  1 1 1     -25   -5    8 o    2.157000      0.5706000       2.267000 0.8217000       2.046000      0.7919000      0.2213000       1.141000
  1 1 1     -25   -5    9 o    9.063000      0.2714000       8.773000 0.3896000       9.354000      0.3780000     -0.5812000      0.5429000
  1 1 1     -25   -5   10 o    7.640000      0.2993000       7.733000 0.4209000       7.547000      0.4256000      0.1860000      0.5985000
  1 1 1     -25   -5   11 o    9.463000      0.2811000       9.851000 0.3929000       9.074000      0.4021000      0.7779000      0.5622000
  1 1 1     -25   -5   12 o    8.295000      0.3026000       8.900000 0.4087000       7.690000      0.4465000       1.209000      0.6053000
  1 1 1     -25   -5   13 o    8.802000      0.3976000       9.126000 0.5683000       8.478000      0.5562000      0.6480000      0.7951000
  1 1 1     -25   -5   14 o    3.841000      0.5671000       4.297000 0.7662000       3.386000      0.8362000      0.9107000       1.134000
  1 1 1     -25   -5   15 o    7.744000      0.3217000       7.737000 0.4578000       7.751000      0.4521000     -0.1347000E-01  0.6434000
  1 1 1     -25   -5   16 o    7.052000      0.5432000       6.573000 0.7797000       7.530000      0.7565000     -0.9576000       1.086000
  1 1 1     -25   -5   17 f    9.265000      0.3217000       9.049000 0.4567000       9.482000      0.4531000     -0.4334000      0.6433000
  1 1 1     -25   -5   18 o    4.667000      0.5356000       4.075000 0.8244000       5.258000      0.6840000      -1.182000       1.071000
  1 1 1     -25   -5   19 o    2.688000      0.6494000       2.236000 0.9066000       3.141000      0.9299000     -0.9055000       1.299000
  1 1 1     -25   -5   20 o    6.799000      0.3931000       7.152000 0.5333000       6.446000      0.5777000      0.7060000      0.7863000
  1 1 1     -25   -5   21 o    3.186000      0.6931000       3.093000 0.9739000       3.279000      0.9865000     -0.1863000       1.386000
  1 1 1     -25   -5   22 o    6.235000      0.4213000       5.703000 0.6416000       6.767000      0.5462000      -1.064000      0.8426000
  1 1 1     -25   -5   23 o    2.213000      0.6382000       2.497000 0.9497000       1.928000      0.8527000      0.5686000       1.276000
  1 1 1     -25   -5   24 o    2.971000      0.6850000       3.537000 0.9775000       2.405000      0.9600000       1.132000       1.370000
  1 1 1     -25   -5   25 o    3.425000      0.5967000       2.148000 0.9029000       4.702000      0.7804000      -2.554000       1.193000
  1 1 1     -25   -5   26 o    4.625000      0.5453000       5.202000 0.6953000       4.047000      0.8402000       1.155000       1.091000
  1 1 1     -25   -5   27 o    4.097000      0.6181000       2.893000 1.003000       5.301000      0.7222000      -2.408000       1.236000
  1 1 1     -25   -4    1 o    7.219000      0.3330000       7.633000 0.5312000       6.805000      0.4019000      0.8275000      0.6661000
  1 1 1     -25   -4    2 o    5.787000      0.3079000       5.436000 0.4458000       6.138000      0.4248000     -0.7013000      0.6158000
  1 1 1     -25   -4    3 o    6.717000      0.2904000       6.525000 0.4134000       6.909000      0.4081000     -0.3841000      0.5809000
  1 1 1     -25   -4    4 o    5.372000      0.3401000       5.326000 0.4767000       5.418000      0.4852000     -0.9219000E-01  0.6802000
  1 1 1     -25   -4    5 o    10.28000      0.3611000       10.28000 0.3611000                  ?              ?              ?              ?
  1 1 1     -25   -4    6 o    9.892000      0.2618000       9.875000 0.3691000       9.910000      0.3713000     -0.3501000E-01  0.5236000
  1 1 1     -25   -4    7 o    7.420000      0.4075000                  ?       ?   7.420000      0.4075000                  ?              ?
  1 1 1     -25   -4    8 o    8.238000      0.2802000       8.387000 0.3929000       8.089000      0.3995000      0.2982000      0.5603000
  1 1 1     -25   -4    9 o    12.66000      0.2674000       12.71000 0.3761000       12.62000      0.3802000      0.8694000E-01  0.5348000
  1 1 1     -25   -4   10 o    9.090000      0.2820000       8.770000 0.4101000       9.410000      0.3871000     -0.6398000      0.5639000
  1 1 1     -25   -4   11 f    5.681000      0.3759000       5.977000 0.5110000       5.385000      0.5515000      0.5920000      0.7518000
  1 1 1     -25   -4   12 o    12.77000      0.2813000       12.64000 0.3953000       12.90000      0.4003000     -0.2631000      0.5626000
  1 1 1     -25   -4   13 o    6.353000      0.5013000       6.152000 0.7410000       6.555000      0.6754000     -0.4039000       1.003000
  1 1 1     -25   -4   14 o    5.840000      0.4098000       6.442000 0.5406000       5.237000      0.6160000       1.205000      0.8196000
  1 1 1     -25   -4   15 o    9.554000      0.4269000       9.290000 0.6127000       9.818000      0.5946000     -0.5276000      0.8538000
  1 1 1     -25   -4   16 o    2.612000      0.7462000       2.747000 1.080000       2.476000       1.031000      0.2717000       1.492000
  1 1 1     -25   -4   17 o    5.016000      0.4846000       4.708000 0.7170000       5.325000      0.6522000     -0.6177000      0.9692000
  1 1 1     -25   -4   18 o    6.851000      0.3824000       6.773000 0.5504000       6.930000      0.5309000     -0.1567000      0.7647000
  1 1 1     -25   -4   19 o    4.586000      0.5239000       4.250000 0.7580000       4.921000      0.7235000     -0.6708000       1.048000
  1 1 1     -25   -4   20 o    2.132000      0.6196000       1.855000 0.8208000       2.409000      0.9285000     -0.5546000       1.239000
  1 1 1     -25   -4   21 o    2.195000      0.6269000       2.599000 0.9578000       1.791000      0.8092000      0.8083000       1.254000
  1 1 1     -25   -4   22 o    6.648000      0.4038000       6.321000 0.5997000       6.975000      0.5409000     -0.6538000      0.8076000
  1 1 1     -25   -4   23 o    4.091000      0.6148000       4.801000 0.7816000       3.381000      0.9493000       1.420000       1.230000
  1 1 1     -25   -4   24 o    2.107000      0.6233000       2.135000 0.8871000       2.078000      0.8759000      0.5681000E-01   1.247000
  1 1 1     -25   -4   25 o    2.445000      0.6669000       2.198000 0.9119000       2.691000      0.9734000     -0.4932000       1.334000
  1 1 1     -25   -4   26 o    4.389000      0.5848000       4.928000 0.7555000       3.850000      0.8928000       1.078000       1.170000
  1 1 1     -25   -4   27 o    3.815000      0.6340000       3.263000 0.9698000       4.367000      0.8170000      -1.104000       1.268000
  1 1 1     -25   -3    1 o    13.51000      0.2533000       13.30000 0.3551000       13.71000      0.3612000     -0.4108000      0.5065000
  1 1 1     -25   -3    2 o    7.324000      0.2652000       7.305000 0.3751000       7.344000      0.3750000     -0.3858000E-01  0.5304000
  1 1 1     -25   -3    3 o    6.701000      0.2811000       6.934000 0.3824000       6.468000      0.4122000      0.4664000      0.5623000
  1 1 1     -25   -3    4 o    5.849000      0.3116000       5.647000 0.4467000       6.052000      0.4346000     -0.4055000      0.6232000
  1 1 1     -25   -3    5 o    15.11000      0.3831000       15.11000 0.3831000                  ?              ?              ?              ?
  1 1 1     -25   -3    6 o    5.282000      0.3571000       5.558000 0.4841000       5.006000      0.5251000      0.5513000      0.7142000
  1 1 1     -25   -3    7 o    6.744000      0.4288000                  ?       ?   6.744000      0.4288000                  ?              ?
  1 1 1     -25   -3    8 o    9.602000      0.2670000       9.669000 0.3822000       9.535000      0.3730000      0.1347000      0.5341000
  1 1 1     -25   -3    9 o    7.118000      0.3119000       6.468000 0.4698000       7.768000      0.4103000      -1.299000      0.6237000
  1 1 1     -25   -3   10 o    9.011000      0.2769000       8.596000 0.3976000       9.426000      0.3855000     -0.8295000      0.5538000
  1 1 1     -25   -3   11 o    5.021000      0.4181000       4.778000 0.6064000       5.264000      0.5759000     -0.4861000      0.8362000
  1 1 1     -25   -3   12 o    6.825000      0.4481000       7.208000 0.6157000       6.442000      0.6511000      0.7667000      0.8961000
  1 1 1     -25   -3   13 o    5.711000      0.4062000       6.603000 0.4952000       4.819000      0.6440000       1.783000      0.8124000
  1 1 1     -25   -3   14 o    10.09000      0.2958000       10.42000 0.4143000       9.757000      0.4222000      0.6629000      0.5915000
  1 1 1     -25   -3   15 f    10.80000      0.4210000       10.66000 0.5838000       10.94000      0.6067000     -0.2765000      0.8420000
  1 1 1     -25   -3   16 o    1.903000      0.5869000       1.802000 0.8154000       2.003000      0.8444000     -0.2008000       1.174000
  1 1 1     -25   -3   17 o    2.901000      0.6373000       3.539000 0.9026000       2.262000      0.8998000       1.277000       1.275000
  1 1 1     -25   -3   18 o    4.975000      0.5066000       5.553000 0.6380000       4.397000      0.7872000       1.156000       1.013000
  1 1 1     -25   -3   19 o    7.420000      0.3807000       8.077000 0.4955000       6.763000      0.5782000       1.313000      0.7615000
  1 1 1     -25   -3   20 o    7.285000      0.3484000       7.559000 0.4866000       7.010000      0.4987000      0.5492000      0.6968000
  1 1 1     -25   -3   21 o    3.043000      0.6493000       3.476000 0.9108000       2.610000      0.9258000      0.8659000       1.299000
  1 1 1     -25   -3   22 o    2.976000      0.6336000       3.674000 0.8943000       2.278000      0.8978000       1.396000       1.267000
  1 1 1     -25   -3   23 o    2.211000      0.6171000       2.829000 0.9778000       1.593000      0.7531000       1.236000       1.234000
  1 1 1     -25   -3   24 o    3.657000      0.6694000       3.657000 0.9476000       3.658000      0.9457000     -0.8588000E-03   1.339000
  1 1 1     -25   -3   25 o    3.022000      0.6828000       3.156000 0.9581000       2.887000      0.9730000      0.2691000       1.366000
  1 1 1     -25   -3   26 o    2.367000      0.6397000       2.629000 0.9437000       2.105000      0.8640000      0.5243000       1.279000
  1 1 1     -25   -2    1 o    6.109000      0.2834000       6.381000 0.3895000       5.837000      0.4119000      0.5438000      0.5669000
  1 1 1     -25   -2    2 o    6.556000      0.2750000       6.492000 0.3959000       6.621000      0.3819000     -0.1283000      0.5501000
  1 1 1     -25   -2    3 f    1.775000      0.5078000       1.438000 0.6497000       2.112000      0.7806000     -0.6731000       1.016000
  1 1 1     -25   -2    4 o    10.02000      0.2538000       9.855000 0.3573000       10.19000      0.3606000     -0.3360000      0.5076000
  1 1 1     -25   -2    5 o    2.431000      0.5718000       2.313000 0.8042000       2.549000      0.8131000     -0.2368000       1.144000
  1 1 1     -25   -2    6 o    7.869000      0.2760000       7.814000 0.3959000       7.924000      0.3846000     -0.1099000      0.5520000
  1 1 1     -25   -2    7 o    11.15000      0.2616000       10.95000 0.3781000       11.35000      0.3616000     -0.4036000      0.5232000
  1 1 1     -25   -2    8 o    10.88000      0.2654000       10.99000 0.3748000       10.78000      0.3759000      0.2119000      0.5308000
  1 1 1     -25   -2    9 o    4.925000      0.3617000       4.967000 0.5069000       4.883000      0.5163000      0.8423000E-01  0.7235000
  1 1 1     -25   -2   10 o    4.156000      0.4763000       3.532000 0.7768000       4.780000      0.5512000      -1.248000      0.9525000
  1 1 1     -25   -2   11 o    7.241000      0.3184000       7.614000 0.4276000       6.868000      0.4719000      0.7455000      0.6368000
  1 1 1     -25   -2   12 o    1.611000      0.5443000       1.423000 0.7027000       1.799000      0.8316000     -0.3763000       1.089000
  1 1 1     -25   -2   13 o    8.746000      0.2853000       8.854000 0.4045000       8.638000      0.4023000      0.2152000      0.5705000
  1 1 1     -25   -2   14 f    9.513000      0.4382000       8.919000 0.6279000       10.11000      0.6114000      -1.186000      0.8764000
  1 1 1     -25   -2   15 o    10.14000      0.4172000       9.773000 0.5709000       10.51000      0.6085000     -0.7407000      0.8344000
  1 1 1     -25   -2   16 o    6.251000      0.3961000       6.816000 0.5150000       5.685000      0.6021000       1.131000      0.7923000
  1 1 1     -25   -2   17 o    3.321000      0.6169000       3.507000 0.8495000       3.134000      0.8948000      0.3725000       1.234000
  1 1 1     -25   -2   18 o    3.399000      0.6135000       2.489000 0.9324000       4.309000      0.7977000      -1.820000       1.227000
  1 1 1     -25   -2   19 o    7.449000      0.3726000       7.650000 0.5217000       7.248000      0.5322000      0.4018000      0.7452000
  1 1 1     -25   -2   20 o    7.913000      0.3652000       7.933000 0.5198000       7.893000      0.5131000      0.3983000E-01  0.7304000
  1 1 1     -25   -2   21 o    4.289000      0.5883000       4.597000 0.8102000       3.981000      0.8533000      0.6158000       1.177000
  1 1 1     -25   -2   22 o    6.514000      0.3873000       6.621000 0.5540000       6.406000      0.5413000      0.2154000      0.7746000
  1 1 1     -25   -2   23 o    2.408000      0.6225000       1.919000 0.8466000       2.898000      0.9128000     -0.9789000       1.245000
  1 1 1     -25   -2   24 o    2.987000      0.6426000       3.546000 0.9085000       2.427000      0.9090000       1.119000       1.285000
  1 1 1     -25   -2   25 f    3.772000      0.6245000       4.379000 0.8185000       3.164000      0.9435000       1.215000       1.249000
  1 1 1     -25   -2   26 o    2.418000      0.6213000       3.201000 0.9798000       1.634000      0.7642000       1.567000       1.243000
  1 1 1     -25   -1    1 o    10.84000      0.2379000       11.21000 0.3372000       10.47000      0.3357000      0.7421000      0.4758000
  1 1 1     -25   -1    2 o    15.07000      0.2643000       15.12000 0.3742000       15.02000      0.3735000      0.1024000      0.5287000
  1 1 1     -25   -1    3 o    6.361000      0.2823000       6.421000 0.4011000       6.300000      0.3973000      0.1208000      0.5645000
  1 1 1     -25   -1    4 o    10.88000      0.2476000       10.94000 0.3478000       10.81000      0.3524000      0.1310000      0.4951000
  1 1 1     -25   -1    5 o    1.788000      0.5098000       1.403000 0.6530000       2.172000      0.7830000     -0.7699000       1.020000
  1 1 1     -25   -1    6 o    6.875000      0.2952000       6.812000 0.4222000       6.937000      0.4127000     -0.1248000      0.5904000
  1 1 1     -25   -1    7 f    3.227000      0.5182000       3.848000 0.6636000       2.605000      0.7961000       1.243000       1.036000
  1 1 1     -25   -1    8 o    9.477000      0.2651000       9.461000 0.3853000       9.493000      0.3643000     -0.3181000E-01  0.5302000
  1 1 1     -25   -1    9 o    6.988000      0.3063000       6.990000 0.4281000       6.985000      0.4383000      0.5061000E-02  0.6127000
  1 1 1     -25   -1   10 f    7.423000      0.3090000       7.779000 0.4347000       7.067000      0.4392000      0.7113000      0.6180000
  1 1 1     -25   -1   11 o    4.849000      0.5479000       5.480000 0.6811000       4.218000      0.8584000       1.262000       1.096000
  1 1 1     -25   -1   12 o    5.820000      0.3624000       6.450000 0.4546000       5.189000      0.5645000       1.260000      0.7248000
  1 1 1     -25   -1   13 o    3.181000      0.6043000       3.712000 0.8005000       2.651000      0.9056000       1.061000       1.209000
  1 1 1     -25   -1   14 o    6.259000      0.5054000       6.323000 0.6968000       6.195000      0.7323000      0.1279000       1.011000
  1 1 1     -25   -1   15 o    2.093000      0.5806000       2.546000 0.8929000       1.640000      0.7425000      0.9059000       1.161000
  1 1 1     -25   -1   16 o    1.910000      0.5779000       1.874000 0.8042000       1.946000      0.8301000     -0.7155000E-01   1.156000
  1 1 1     -25   -1   17 o    4.490000      0.5338000       4.829000 0.7041000       4.150000      0.8026000      0.6781000       1.068000
  1 1 1     -25   -1   18 o    8.303000      0.3269000       8.586000 0.4453000       8.020000      0.4788000      0.5650000      0.6539000
  1 1 1     -25   -1   19 f    5.294000      0.4815000       5.503000 0.6401000       5.086000      0.7194000      0.4172000      0.9630000
  1 1 1     -25   -1   20 o    13.85000      0.3038000       14.09000 0.4296000       13.61000      0.4296000      0.4847000      0.6076000
  1 1 1     -25   -1   21 o    6.773000      0.4182000       6.140000 0.6395000       7.406000      0.5390000      -1.266000      0.8364000
  1 1 1     -25   -1   22 o    5.432000      0.4534000       4.923000 0.6994000       5.942000      0.5771000      -1.019000      0.9067000
  1 1 1     -25   -1   23 o    6.173000      0.4292000       6.871000 0.5579000       5.475000      0.6523000       1.396000      0.8584000
  1 1 1     -25   -1   24 o    2.680000      0.6561000       2.888000 0.9406000       2.472000      0.9148000      0.4168000       1.312000
  1 1 1     -25   -1   25 o    1.697000      0.5560000       1.747000 0.8040000       1.647000      0.7681000      0.1002000       1.112000
  1 1 1     -25   -1   26 o    2.142000      0.8886000       2.142000 0.8886000                  ?              ?              ?              ?
  1 1 1     -25    0    1 o    5.299000      0.3165000       4.722000 0.4851000       5.877000      0.4067000      -1.156000      0.6330000
  1 1 1     -25    0    2 o    5.321000      0.3216000       5.329000 0.4555000       5.314000      0.4542000      0.1474000E-01  0.6432000
  1 1 1     -25    0    3 o    7.738000      0.2605000       7.838000 0.3717000       7.637000      0.3652000      0.2011000      0.5211000
  1 1 1     -25    0    4 o    6.619000      0.2913000       6.678000 0.4043000       6.560000      0.4194000      0.1176000      0.5826000
  1 1 1     -25    0    5 o    4.514000      0.3763000       4.484000 0.5183000       4.545000      0.5455000     -0.6079000E-01  0.7525000
  1 1 1     -25    0    6 o    5.054000      0.4924000       5.054000 0.4924000                  ?              ?              ?              ?
  1 1 1     -25    0    7 o    4.968000      0.3746000       5.371000 0.4892000       4.564000      0.5675000      0.8079000      0.7493000
  1 1 1     -25    0    8 o    4.520000      0.5622000                  ?       ?   4.520000      0.5622000                  ?              ?
  1 1 1     -25    0    9 o    6.254000      0.3222000       5.913000 0.4735000       6.594000      0.4371000     -0.6814000      0.6444000
  1 1 1     -25    0   10 o    4.220000      0.5788000       3.977000 0.8778000       4.463000      0.7545000     -0.4861000       1.158000
  1 1 1     -25    0   11 o    3.360000      0.6839000       3.480000 1.004000       3.240000      0.9292000      0.2399000       1.368000
  1 1 1     -25    0   12 o    5.903000      0.3430000       6.034000 0.4681000       5.773000      0.5014000      0.2618000      0.6859000
  1 1 1     -25    0   13 o    7.726000      0.4781000       7.531000 0.6381000       7.920000      0.7121000     -0.3896000      0.9561000
  1 1 1     -25    0   14 o    5.831000      0.3662000       5.848000 0.5184000       5.814000      0.5174000      0.3433000E-01  0.7324000
  1 1 1     -25    0   15 o    8.420000      0.3094000       8.678000 0.4316000       8.162000      0.4434000      0.5166000      0.6188000
  1 1 1     -25    0   16 o    7.216000      0.3628000       7.162000 0.5219000       7.270000      0.5042000     -0.1075000      0.7257000
  1 1 1     -25    0   17 f    2.885000      0.6418000       2.713000 0.9055000       3.057000      0.9098000     -0.3443000       1.284000
  1 1 1     -25    0   18 o    3.168000      0.6565000       2.907000 0.9524000       3.429000      0.9037000     -0.5214000       1.313000
  1 1 1     -25    0   19 o    10.10000      0.3040000       9.825000 0.4277000       10.37000      0.4321000     -0.5498000      0.6079000
  1 1 1     -25    0   20 o    6.902000      0.3725000       7.090000 0.5216000       6.715000      0.5319000      0.3751000      0.7450000
  1 1 1     -25    0   21 o    2.493000      0.6198000       3.134000 0.9277000       1.853000      0.8222000       1.281000       1.240000
  1 1 1     -25    0   22 o    5.931000      0.4253000       6.032000 0.5979000       5.831000      0.6051000      0.2005000      0.8507000
  1 1 1     -25    0   23 o    4.359000      0.5494000       5.005000 0.6901000       3.713000      0.8551000       1.292000       1.099000
  1 1 1     -25    0   24 o    1.822000      0.5680000       1.758000 0.7908000       1.885000      0.8155000     -0.1264000       1.136000
  1 1 1     -25    0   25 o    3.219000      0.6612000       2.967000 0.9548000       3.471000      0.9151000     -0.5043000       1.322000
  1 1 1     -25    1    1 o    10.18000      0.2601000       10.02000 0.3426000       10.34000      0.3915000     -0.3237000      0.5202000
  1 1 1     -25    1    2 o    13.12000      0.2636000       12.92000 0.3565000       13.32000      0.3884000     -0.4002000      0.5272000
  1 1 1     -25    1    3 o    7.990000      0.2810000       7.820000 0.3740000       8.160000      0.4196000     -0.3395000      0.5621000
  1 1 1     -25    1    4 o    4.729000      0.4725000       4.387000 0.5625000       5.070000      0.7595000     -0.6831000      0.9451000
  1 1 1     -25    1    5 o    3.844000      0.4497000       3.613000 0.6820000       4.076000      0.5862000     -0.4629000      0.8993000
  1 1 1     -25    1    6 o    4.633000      0.5418000       4.633000 0.5418000                  ?              ?              ?              ?
  1 1 1     -25    1    7 o    5.889000      0.3287000       5.758000 0.4683000       6.021000      0.4614000     -0.2632000      0.6574000
  1 1 1     -25    1    8 o    6.919000      0.4213000                  ?       ?   6.919000      0.4213000                  ?              ?
  1 1 1     -25    1    9 o    8.203000      0.3760000       7.832000 0.5520000       8.573000      0.5108000     -0.7408000      0.7521000
  1 1 1     -25    1   10 o    6.151000      0.4287000       5.737000 0.6587000       6.565000      0.5489000     -0.8277000      0.8574000
  1 1 1     -25    1   11 o    4.391000      0.4359000       4.863000 0.5595000       3.919000      0.6685000      0.9433000      0.8718000
  1 1 1     -25    1   12 o    2.886000      0.7524000       2.191000 0.9731000       3.581000       1.148000      -1.390000       1.505000
  1 1 1     -25    1   13 o    2.528000      0.7128000       2.985000 1.078000       2.072000      0.9327000      0.9130000       1.426000
  1 1 1     -25    1   14 o    3.674000      0.5712000       3.163000 0.8741000       4.184000      0.7355000      -1.020000       1.142000
  1 1 1     -25    1   15 o    7.864000      0.3199000       7.828000 0.4550000       7.900000      0.4498000     -0.7232000E-01  0.6398000
  1 1 1     -25    1   16 o    9.274000      0.3023000       8.480000 0.4457000       10.07000      0.4084000      -1.589000      0.6045000
  1 1 1     -25    1   17 o    1.606000      0.5270000       1.965000 0.8553000       1.246000      0.6158000      0.7192000       1.054000
  1 1 1     -25    1   18 f    3.675000      0.5841000       3.494000 0.8510000       3.856000      0.8003000     -0.3611000       1.168000
  1 1 1     -25    1   19 o    6.342000      0.3626000       6.041000 0.5151000       6.643000      0.5106000     -0.6026000      0.7253000
  1 1 1     -25    1   20 o    1.690000      0.5423000       1.634000 0.7538000       1.745000      0.7799000     -0.1116000       1.085000
  1 1 1     -25    1   21 o    7.148000      0.3484000       7.159000 0.4913000       7.136000      0.4942000      0.2259000E-01  0.6969000
  1 1 1     -25    1   22 o    7.475000      0.3628000       7.347000 0.5237000       7.603000      0.5023000     -0.2556000      0.7256000
  1 1 1     -25    1   23 o    2.171000      0.5979000       1.552000 0.7382000       2.791000      0.9407000      -1.239000       1.196000
  1 1 1     -25    1   24 o    1.935000      0.5779000       1.577000 0.7414000       2.294000      0.8866000     -0.7169000       1.156000
  1 1 1     -25    2    1 o    10.47000      0.2619000       10.57000 0.3434000       10.37000      0.3956000      0.2011000      0.5239000
  1 1 1     -25    2    2 o    10.94000      0.2623000       10.75000 0.3495000       11.14000      0.3913000     -0.3891000      0.5246000
  1 1 1     -25    2    3 o    8.607000      0.2773000       8.536000 0.3722000       8.679000      0.4111000     -0.1431000      0.5546000
  1 1 1     -25    2    4 o    4.076000      0.4575000       4.360000 0.5429000       3.792000      0.7364000      0.5681000      0.9149000
  1 1 1     -25    2    5 o    4.642000      0.4605000       5.041000 0.5093000       4.243000      0.7672000      0.7984000      0.9209000
  1 1 1     -25    2    6 o    13.78000      0.2827000       13.97000 0.3835000       13.58000      0.4153000      0.3839000      0.5653000
  1 1 1     -25    2    7 o    7.270000      0.3352000       6.940000 0.4435000       7.599000      0.5028000     -0.6586000      0.6704000
  1 1 1     -25    2    8 o    7.092000      0.3453000       7.812000 0.4163000       6.373000      0.5509000       1.439000      0.6905000
  1 1 1     -25    2    9 o    2.763000      0.6865000       3.155000 0.9178000       2.370000       1.021000      0.7855000       1.373000
  1 1 1     -25    2   10 o    1.971000      0.6178000       1.590000 0.7323000       2.352000      0.9953000     -0.7620000       1.236000
  1 1 1     -25    2   11 o    2.038000      0.5544000       1.868000 0.7869000       2.209000      0.7811000     -0.3411000       1.109000
  1 1 1     -25    2   12 o    5.721000      0.5424000       5.640000 0.7607000       5.802000      0.7733000     -0.1617000       1.085000
  1 1 1     -25    2   13 o    2.367000      0.6256000       2.171000 0.8686000       2.564000      0.9007000     -0.3934000       1.251000
  1 1 1     -25    2   14 o    3.448000      0.5977000       3.651000 0.8228000       3.245000      0.8672000      0.4058000       1.195000
  1 1 1     -25    2   15 o    10.73000      0.2888000       10.78000 0.4147000       10.67000      0.4019000      0.1121000      0.5775000
  1 1 1     -25    2   16 o    9.077000      0.3156000       9.061000 0.4568000       9.094000      0.4357000     -0.3238000E-01  0.6313000
  1 1 1     -25    2   17 o    4.302000      0.5325000       4.395000 0.7528000       4.208000      0.7535000      0.1862000       1.065000
  1 1 1     -25    2   18 o    5.606000      0.3896000       6.009000 0.5174000       5.202000      0.5826000      0.8068000      0.7792000
  1 1 1     -25    2   19 o    7.679000      0.3473000       6.890000 0.5209000       8.468000      0.4596000      -1.578000      0.6947000
  1 1 1     -25    2   20 o    1.849000      0.5642000       1.448000 0.6964000       2.251000      0.8880000     -0.8031000       1.128000
  1 1 1     -25    2   21 o    2.195000      0.6143000       2.029000 0.8460000       2.361000      0.8909000     -0.3318000       1.229000
  1 1 1     -25    2   22 o    4.657000      0.5442000       3.379000 0.9332000       5.935000      0.5601000      -2.556000       1.088000
  1 1 1     -25    2   23 o    3.542000      0.5767000       4.478000 0.7157000       2.607000      0.9044000       1.871000       1.153000
  1 1 1     -25    2   24 o    3.418000      0.6032000       3.256000 0.8898000       3.581000      0.8148000     -0.3244000       1.206000
  1 1 1     -25    3    1 o    7.514000      0.2861000       7.449000 0.3611000       7.580000      0.4439000     -0.1313000      0.5722000
  1 1 1     -25    3    2 o    13.75000      0.2717000       13.55000 0.3656000       13.95000      0.4020000     -0.4015000      0.5434000
  1 1 1     -25    3    3 o    8.507000      0.2794000       8.180000 0.3740000       8.833000      0.4152000     -0.6529000      0.5588000
  1 1 1     -25    3    4 o    10.82000      0.2716000       11.08000 0.3602000       10.55000      0.4067000      0.5357000      0.5433000
  1 1 1     -25    3    5 f    2.553000      0.6154000       2.234000 0.8142000       2.872000      0.9229000     -0.6381000       1.231000
  1 1 1     -25    3    6 o    8.192000      0.3128000       8.665000 0.3970000       7.719000      0.4836000      0.9465000      0.6257000
  1 1 1     -25    3    7 o    4.370000      0.4780000       3.923000 0.6739000       4.816000      0.6782000     -0.8929000      0.9560000
  1 1 1     -25    3    8 o    3.552000      0.7532000       3.280000 0.9236000       3.824000       1.190000     -0.5444000       1.506000
  1 1 1     -25    3    9 o    4.732000      0.4534000       4.716000 0.5721000       4.749000      0.7035000     -0.3330000E-01  0.9067000
  1 1 1     -25    3   10 o    1.729000      0.5513000       1.478000 0.6949000       1.979000      0.8561000     -0.5005000       1.103000
  1 1 1     -25    3   11 o    6.371000      0.5297000       6.555000 0.6679000       6.188000      0.8224000      0.3679000       1.059000
  1 1 1     -25    3   12 o    2.917000      0.6435000       2.392000 0.8643000       3.442000      0.9537000      -1.051000       1.287000
  1 1 1     -25    3   13 o    3.932000      0.5933000       3.476000 0.8535000       4.389000      0.8245000     -0.9129000       1.187000
  1 1 1     -25    3   14 o    5.138000      0.4607000       5.311000 0.5646000       4.964000      0.7282000      0.3468000      0.9215000
  1 1 1     -25    3   15 f    6.524000      0.4097000       6.425000 0.5351000       6.623000      0.6205000     -0.1983000      0.8194000
  1 1 1     -25    3   16 o    5.840000      0.4447000       5.537000 0.6164000       6.144000      0.6411000     -0.6071000      0.8893000
  1 1 1     -25    3   17 o    3.958000      0.5892000       3.435000 0.8335000       4.480000      0.8330000      -1.045000       1.178000
  1 1 1     -25    3   18 o    4.239000      0.6147000       4.541000 0.7218000       3.937000      0.9952000      0.6042000       1.229000
  1 1 1     -25    3   19 o    5.207000      0.6005000       4.670000 0.7189000       5.743000      0.9621000      -1.073000       1.201000
  1 1 1     -25    3   20 o    2.929000      0.7013000       3.101000 0.8563000       2.757000       1.111000      0.3438000       1.403000
  1 1 1     -25    3   21 o    4.258000      0.6130000       3.862000 0.8519000       4.653000      0.8816000     -0.7905000       1.226000
  1 1 1     -25    3   22 o    2.919000      0.6591000       3.194000 0.9602000       2.644000      0.9031000      0.5499000       1.318000
  1 1 1     -25    3   23 o    4.466000      0.5272000       4.255000 0.8045000       4.677000      0.6815000     -0.4220000       1.054000
  1 1 1     -25    4    1 o    12.01000      0.2641000       11.95000 0.3473000       12.06000      0.3981000     -0.1057000      0.5283000
  1 1 1     -25    4    2 o    10.67000      0.2653000       10.28000 0.3483000       11.07000      0.4003000     -0.7917000      0.5306000
  1 1 1     -25    4    3 o    9.365000      0.2766000       9.349000 0.3648000       9.381000      0.4159000     -0.3208000E-01  0.5532000
  1 1 1     -25    4    4 o    6.720000      0.3170000       6.323000 0.4184000       7.116000      0.4764000     -0.7933000      0.6340000
  1 1 1     -25    4    5 o    8.287000      0.3021000       8.337000 0.3867000       8.237000      0.4642000      0.9966000E-01  0.6041000
  1 1 1     -25    4    6 o    8.696000      0.3108000       8.721000 0.3976000       8.670000      0.4778000      0.5099000E-01  0.6216000
  1 1 1     -25    4    7 o    5.703000      0.5222000       5.221000 0.6937000       6.185000      0.7808000     -0.9636000       1.044000
  1 1 1     -25    4    8 o    9.971000      0.2948000       9.898000 0.3973000       10.04000      0.4356000     -0.1456000      0.5896000
  1 1 1     -25    4    9 o    6.993000      0.3852000       6.415000 0.5894000       7.572000      0.4960000      -1.157000      0.7703000
  1 1 1     -25    4   10 o    5.055000      0.6656000       5.566000 0.8470000       4.544000       1.027000       1.023000       1.331000
  1 1 1     -25    4   11 o    7.706000      0.3466000       7.317000 0.4724000       8.094000      0.5073000     -0.7766000      0.6932000
  1 1 1     -25    4   12 o    2.580000      0.5562000       1.409000 0.6686000       3.751000      0.8890000      -2.342000       1.112000
  1 1 1     -25    4   13 o    2.280000      0.6312000       1.876000 0.8049000       2.684000      0.9724000     -0.8072000       1.262000
  1 1 1     -25    4   14 o    7.212000      0.3819000       7.319000 0.4862000       7.105000      0.5891000      0.2145000      0.7638000
  1 1 1     -25    4   15 o    3.741000      0.5848000       2.234000 0.9033000       5.248000      0.7430000      -3.014000       1.170000
  1 1 1     -25    4   16 o    6.453000      0.4036000       6.546000 0.4946000       6.360000      0.6379000      0.1861000      0.8072000
  1 1 1     -25    4   17 o    3.162000      0.6548000       3.299000 0.8688000       3.025000      0.9800000      0.2743000       1.310000
  1 1 1     -25    4   18 o    4.660000      0.5134000       4.504000 0.6899000       4.816000      0.7606000     -0.3118000       1.027000
  1 1 1     -25    4   19 o    3.969000      0.6026000       3.781000 0.8278000       4.156000      0.8759000     -0.3755000       1.205000
  1 1 1     -25    4   20 o    2.231000      0.6267000       2.213000 0.8915000       2.249000      0.8811000     -0.3607000E-01   1.253000
  1 1 1     -25    4   21 o    2.327000      0.6164000       1.954000 0.8139000       2.701000      0.9260000     -0.7470000       1.233000
  1 1 1     -25    4   22 o    3.630000      0.6205000       3.742000 0.8210000       3.519000      0.9305000      0.2239000       1.241000
  1 1 1     -25    5    1 o    7.028000      0.3009000       6.483000 0.4003000       7.573000      0.4494000      -1.090000      0.6018000
  1 1 1     -25    5    2 f    7.006000      0.3074000       7.087000 0.3887000       6.925000      0.4763000      0.1623000      0.6148000
  1 1 1     -25    5    3 o    7.953000      0.2995000       8.308000 0.3679000       7.599000      0.4729000      0.7084000      0.5991000
  1 1 1     -25    5    4 o    8.370000      0.2969000       7.918000 0.3905000       8.822000      0.4473000     -0.9039000      0.5938000
  1 1 1     -25    5    5 o    7.986000      0.3028000       7.683000 0.3742000       8.289000      0.4761000     -0.6063000      0.6056000
  1 1 1     -25    5    6 o    4.945000      0.6414000       5.290000 0.6300000       4.601000       1.118000      0.6890000       1.283000
  1 1 1     -25    5    7 o    1.509000      0.6838000       1.509000 0.6838000                  ?              ?              ?              ?
  1 1 1     -25    5    8 o    6.907000      0.3314000       6.690000 0.4285000       7.124000      0.5056000     -0.4347000      0.6627000
  1 1 1     -25    5    9 o    2.527000       1.059000                  ?       ?   2.527000       1.059000                  ?              ?
  1 1 1     -25    5   10 o    2.183000      0.6209000       1.881000 0.8028000       2.485000      0.9474000     -0.6037000       1.242000
  1 1 1     -25    5   11 o    6.633000      0.3784000       7.024000 0.4725000       6.242000      0.5912000      0.7818000      0.7568000
  1 1 1     -25    5   12 o    10.69000      0.3023000       10.37000 0.3996000       11.01000      0.4538000     -0.6372000      0.6047000
  1 1 1     -25    5   13 o    4.045000      0.5739000       3.659000 0.7840000       4.430000      0.8383000     -0.7715000       1.148000
  1 1 1     -25    5   14 o    4.645000      0.5457000       4.924000 0.6594000       4.366000      0.8697000      0.5580000       1.091000
  1 1 1     -25    5   15 o    11.24000      0.3111000       11.75000 0.4015000       10.72000      0.4753000       1.027000      0.6222000
  1 1 1     -25    5   16 f    10.38000      0.3210000       10.97000 0.4113000       9.784000      0.4929000       1.185000      0.6420000
  1 1 1     -25    5   17 o    4.414000      0.5156000       4.110000 0.7032000       4.717000      0.7541000     -0.6072000       1.031000
  1 1 1     -25    5   18 o    2.363000      0.6293000       2.600000 0.9036000       2.126000      0.8762000      0.4735000       1.259000
  1 1 1     -25    5   19 o    2.288000      0.6290000       2.247000 0.8743000       2.330000      0.9046000     -0.8292000E-01   1.258000
  1 1 1     -25    5   20 o    1.842000      0.5745000       1.696000 0.7711000       1.988000      0.8520000     -0.2921000       1.149000
  1 1 1     -25    5   21 o    3.297000      0.6069000       4.166000 0.8071000       2.428000      0.9066000       1.738000       1.214000
  1 1 1     -25    6    1 o    12.26000      0.2670000       11.75000 0.3486000       12.77000      0.4047000      -1.022000      0.5341000
  1 1 1     -25    6    2 o    9.451000      0.2824000       8.967000 0.3699000       9.936000      0.4268000     -0.9697000      0.5648000
  1 1 1     -25    6    3 o    3.008000      0.6069000       3.253000 0.7625000       2.764000      0.9444000      0.4893000       1.214000
  1 1 1     -25    6    4 f    5.166000      0.5917000       5.215000 0.6594000       5.117000      0.9826000      0.9804000E-01   1.183000
  1 1 1     -25    6    5 o    6.838000      0.4877000       6.621000 0.5890000       7.055000      0.7776000     -0.4345000      0.9755000
  1 1 1     -25    6    6 o    4.972000      0.4421000       4.127000 0.6308000       5.818000      0.6197000      -1.690000      0.8843000
  1 1 1     -25    6    7 o    2.503000      0.5738000       3.103000 0.7801000       1.902000      0.8417000       1.201000       1.148000
  1 1 1     -25    6    8 o    6.427000      0.5106000       6.488000 0.6852000       6.367000      0.7573000      0.1209000       1.021000
  1 1 1     -25    6    9 o    2.385000      0.6071000       2.730000 0.8255000       2.040000      0.8904000      0.6902000       1.214000
  1 1 1     -25    6   10 o    3.085000      0.6281000       2.805000 0.8325000       3.364000      0.9406000     -0.5593000       1.256000
  1 1 1     -25    6   11 o    9.995000      0.3066000       10.28000 0.3957000       9.705000      0.4685000      0.5793000      0.6133000
  1 1 1     -25    6   12 o    10.21000      0.3058000       10.05000 0.3945000       10.38000      0.4674000     -0.3289000      0.6117000
  1 1 1     -25    6   13 o    1.744000      0.5407000       2.124000 0.8472000       1.365000      0.6722000      0.7585000       1.081000
  1 1 1     -25    6   14 o    2.492000      0.6378000       2.854000 0.8834000       2.129000      0.9202000      0.7253000       1.276000
  1 1 1     -25    6   15 f    2.911000      0.5855000       3.967000 0.8020000       1.854000      0.8534000       2.113000       1.171000
  1 1 1     -25    6   16 o    6.097000      0.3981000       6.057000 0.5120000       6.137000      0.6098000     -0.8061000E-01  0.7962000
  1 1 1     -25    6   17 o    2.341000      0.6237000       2.762000 0.9059000       1.920000      0.8576000      0.8419000       1.247000
  1 1 1     -25    6   18 o    1.972000      0.5911000       1.966000 0.8223000       1.978000      0.8493000     -0.1169000E-01   1.182000
  1 1 1     -25    6   19 o    3.119000      0.6091000       3.764000 0.8115000       2.475000      0.9085000       1.289000       1.218000
  1 1 1     -25    6   20 o    3.698000      0.6138000       3.678000 0.8478000       3.718000      0.8879000     -0.3991000E-01   1.228000
  1 1 1     -25    7    1 o    2.459000      0.6124000       2.479000 0.8122000       2.440000      0.9167000      0.3894000E-01   1.225000
  1 1 1     -25    7    2 f    5.103000      0.4214000       5.366000 0.4886000       4.840000      0.6868000      0.5257000      0.8429000
  1 1 1     -25    7    3 o    4.508000      0.6884000       4.231000 0.8588000       4.786000       1.076000     -0.5554000       1.377000
  1 1 1     -25    7    4 o    1.757000      0.5771000       1.513000 0.6795000       2.001000      0.9329000     -0.4874000       1.154000
  1 1 1     -25    7    5 o    2.270000      0.6072000       2.030000 0.7839000       2.509000      0.9276000     -0.4795000       1.214000
  1 1 1     -25    7    6 o    2.864000      0.7391000       2.748000 0.9746000       2.979000       1.111000     -0.2307000       1.478000
  1 1 1     -25    7    7 o    3.065000      0.7327000       2.344000 0.9592000       3.786000       1.108000      -1.441000       1.465000
  1 1 1     -25    7    8 o    6.068000      0.4208000       6.450000 0.5029000       5.686000      0.6747000      0.7642000      0.8415000
  1 1 1     -25    7    9 f    6.534000      0.4001000       6.387000 0.5074000       6.681000      0.6187000     -0.2941000      0.8002000
  1 1 1     -25    7   10 o    2.136000      0.6152000       1.823000 0.7981000       2.449000      0.9364000     -0.6260000       1.230000
  1 1 1     -25    7   11 o    2.383000      0.6333000       2.486000 0.8849000       2.281000      0.9063000      0.2048000       1.267000
  1 1 1     -25    7   12 o    2.549000      0.6080000       2.984000 0.8191000       2.114000      0.8987000      0.8707000       1.216000
  1 1 1     -25    7   13 o    3.324000      0.6413000       3.230000 0.8222000       3.418000      0.9845000     -0.1881000       1.283000
  1 1 1     -25    7   14 o    5.425000      0.4620000       5.690000 0.5380000       5.161000      0.7513000      0.5285000      0.9240000
  1 1 1     -25    7   15 o    2.653000      0.6471000       2.243000 0.8346000       3.063000      0.9891000     -0.8201000       1.294000
  1 1 1     -25    7   16 o    1.884000      0.5653000       2.358000 0.8956000       1.410000      0.6901000      0.9479000       1.131000
  1 1 1     -25    7   17 o    2.634000      0.6689000       2.772000 0.9400000       2.496000      0.9520000      0.2761000       1.338000
  1 1 1     -25    7   18 o    1.892000      0.5810000       1.649000 0.7608000       2.135000      0.8784000     -0.4861000       1.162000
  1 1 1     -25    7   19 o    2.503000      0.6169000       3.177000 0.9268000       1.829000      0.8145000       1.347000       1.234000
  1 1 1     -25    8    1 o    5.121000      0.4091000       5.086000 0.5009000       5.156000      0.6470000     -0.6991000E-01  0.8182000
  1 1 1     -25    8    2 o    2.635000      0.7152000       2.620000 0.9490000       2.650000       1.070000     -0.3039000E-01   1.430000
  1 1 1     -25    8    3 o    4.662000      0.4444000       4.333000 0.5853000       4.992000      0.6690000     -0.6589000      0.8889000
  1 1 1     -25    8    4 o    3.098000      0.6109000       3.312000 0.7770000       2.885000      0.9430000      0.4272000       1.222000
  1 1 1     -25    8    5 o    3.106000      0.6982000       2.354000 0.9169000       3.858000       1.053000      -1.504000       1.396000
  1 1 1     -25    8    6 o    3.895000      0.6323000       4.239000 0.6148000       3.551000       1.105000      0.6881000       1.265000
  1 1 1     -25    8    7 o    1.862000      0.5797000       1.591000 0.7242000       2.133000      0.9053000     -0.5413000       1.159000
  1 1 1     -25    8    8 o    3.399000      0.6974000       2.567000 0.8543000       4.231000       1.102000      -1.663000       1.395000
  1 1 1     -25    8    9 o    2.300000      0.6320000       2.355000 0.8511000       2.244000      0.9346000      0.1116000       1.264000
  1 1 1     -25    8   10 o    5.446000      0.5368000       5.777000 0.7413000       5.115000      0.7765000      0.6621000       1.074000
  1 1 1     -25    8   11 o    4.668000      0.5205000       4.630000 0.6739000       4.706000      0.7935000     -0.7653000E-01   1.041000
  1 1 1     -25    8   12 o    2.533000      0.6301000       2.839000 0.8678000       2.227000      0.9137000      0.6114000       1.260000
  1 1 1     -25    8   13 o    3.511000      0.6399000       3.286000 0.8680000       3.736000      0.9405000     -0.4501000       1.280000
  1 1 1     -25    8   14 o    3.935000      0.5536000       3.088000 0.8146000       4.781000      0.7500000      -1.694000       1.107000
  1 1 1     -25    8   15 o    2.287000      0.6348000       2.063000 0.8329000       2.511000      0.9583000     -0.4479000       1.270000
  1 1 1     -25    8   16 o    3.261000      0.6436000       3.118000 0.8822000       3.403000      0.9374000     -0.2845000       1.287000
  1 1 1     -25    8   17 o    2.211000      0.6155000       1.941000 0.8092000       2.481000      0.9277000     -0.5401000       1.231000
  1 1 1     -25    8   18 o    2.100000      0.6206000       2.201000 0.8881000       1.999000      0.8670000      0.2014000       1.241000
  1 1 1     -25    9    1 o    3.855000      0.6749000       4.644000 0.7594000       3.065000       1.116000       1.579000       1.350000
  1 1 1     -25    9    2 o    9.244000      0.2859000       9.433000 0.3648000       9.056000      0.4403000      0.3766000      0.5718000
  1 1 1     -25    9    3 o    4.499000      0.5154000       5.463000 0.4910000       3.536000      0.9063000       1.927000       1.031000
  1 1 1     -25    9    4 o    2.330000      0.6753000       2.459000 0.9495000       2.201000      0.9605000      0.2580000       1.351000
  1 1 1     -25    9    5 o    2.625000      0.6344000       2.291000 0.8352000       2.959000      0.9550000     -0.6674000       1.269000
  1 1 1     -25    9    6 o    4.487000      0.5184000       5.097000 0.5461000       3.878000      0.8813000       1.218000       1.037000
  1 1 1     -25    9    7 o    2.339000      0.5841000       2.835000 0.8133000       1.843000      0.8385000      0.9917000       1.168000
  1 1 1     -25    9    8 o    1.643000      0.7330000       1.643000 0.7330000                  ?              ?              ?              ?
  1 1 1     -25    9    9 o    2.603000      0.6333000       2.794000 0.8518000       2.412000      0.9373000      0.3824000       1.267000
  1 1 1     -25    9   10 o    5.929000      0.6284000                  ?       ?   5.929000      0.6284000                  ?              ?
  1 1 1     -25    9   11 o    2.078000      0.6178000       1.886000 0.8079000       2.270000      0.9349000     -0.3839000       1.236000
  1 1 1     -25    9   12 o    8.091000      0.3430000       8.143000 0.4346000       8.040000      0.5308000      0.1030000      0.6860000
  1 1 1     -25    9   13 o    7.373000      0.3630000       7.926000 0.4249000       6.820000      0.5886000       1.106000      0.7260000
  1 1 1     -25    9   14 o    3.282000      0.6465000       3.622000 0.8215000       2.942000      0.9985000      0.6798000       1.293000
  1 1 1     -25    9   15 o    4.166000      0.5846000       4.621000 0.6992000       3.711000      0.9372000      0.9093000       1.169000
  1 1 1     -25    9   16 f    3.704000      0.6077000       3.975000 0.8037000       3.434000      0.9117000      0.5415000       1.215000
  1 1 1     -25    9   17 o    1.954000      0.6426000       2.092000 0.9420000       1.817000      0.8742000      0.2748000       1.285000
  1 1 1     -25   10    1 o    4.982000      0.4718000       5.817000 0.5538000       4.146000      0.7639000       1.671000      0.9436000
  1 1 1     -25   10    2 o    4.671000      0.8026000       4.010000 1.347000       5.332000      0.8733000      -1.322000       1.605000
  1 1 1     -25   10    3 o    3.623000      0.7845000       2.909000 1.225000       4.338000      0.9799000      -1.429000       1.569000
  1 1 1     -25   10    4 o    3.061000      0.6470000       3.737000 0.9086000       2.384000      0.9213000       1.353000       1.294000
  1 1 1     -25   10    5 o    2.677000      0.6196000       2.389000 0.8355000       2.964000      0.9151000     -0.5743000       1.239000
  1 1 1     -25   10    6 o    3.518000      0.5640000       4.126000 0.6494000       2.910000      0.9224000       1.216000       1.128000
  1 1 1     -25   10    7 o    2.058000      0.5849000       2.339000 0.8509000       1.778000      0.8029000      0.5604000       1.170000
  1 1 1     -25   10    8 o    3.815000      0.5593000       3.327000 0.7757000       4.303000      0.8059000     -0.9759000       1.119000
  1 1 1     -25   10    9 o    3.104000      0.5942000       2.093000 0.8293000       4.114000      0.8513000      -2.021000       1.188000
  1 1 1     -25   10   10 f    2.139000      0.6107000       1.820000 0.7758000       2.459000      0.9434000     -0.6392000       1.221000
  1 1 1     -25   10   11 o    3.296000      0.6143000       3.778000 0.7665000       2.814000      0.9602000      0.9632000       1.229000
  1 1 1     -25   10   12 f    5.847000      0.4217000       6.703000 0.4905000       4.992000      0.6862000       1.710000      0.8435000
  1 1 1     -25   10   13 o    5.531000      0.4289000       5.923000 0.5259000       5.138000      0.6776000      0.7844000      0.8577000
  1 1 1     -25   10   14 o    3.522000      0.5936000       4.233000 0.7038000       2.810000      0.9560000       1.423000       1.187000
  1 1 1     -25   10   15 o    3.550000      0.6213000       3.869000 0.7969000       3.230000      0.9533000      0.6393000       1.243000
  1 1 1     -25   11    1 o    3.858000      0.7197000       2.731000 1.117000       4.984000      0.9082000      -2.253000       1.439000
  1 1 1     -25   11    2 o    3.204000      0.6126000       2.551000 0.8903000       3.857000      0.8416000      -1.307000       1.225000
  1 1 1     -25   11    3 o    4.557000      0.5262000       4.979000 0.6514000       4.136000      0.8265000      0.8430000       1.052000
  1 1 1     -25   11    4 o    4.552000      0.5242000       5.003000 0.6204000       4.100000      0.8452000      0.9030000       1.048000
  1 1 1     -25   11    5 o    1.993000      0.6038000       1.815000 0.8031000       2.171000      0.9018000     -0.3557000       1.208000
  1 1 1     -25   11    6 o    3.954000      0.5756000       3.912000 0.7859000       3.996000      0.8413000     -0.8412000E-01   1.151000
  1 1 1     -25   11    7 o    2.494000      0.6773000       2.468000 0.9716000       2.520000      0.9439000     -0.5235000E-01   1.355000
  1 1 1     -25   11    8 o    3.554000      0.6002000       3.931000 0.6903000       3.178000      0.9820000      0.7524000       1.200000
  1 1 1     -25   11    9 o    3.204000      0.6259000       3.057000 0.8477000       3.350000      0.9213000     -0.2926000       1.252000
  1 1 1     -25   11   10 o    2.117000      0.6045000       2.305000 0.8591000       1.929000      0.8506000      0.3755000       1.209000
  1 1 1     -25   11   11 o    2.663000      0.6594000       2.696000 0.9106000       2.629000      0.9540000      0.6695000E-01   1.319000
  1 1 1     -25   11   12 o    2.699000      0.6625000       2.599000 0.9035000       2.799000      0.9692000     -0.1994000       1.325000
  1 1 1     -25   11   13 o    2.391000      0.6488000       2.216000 0.8697000       2.566000      0.9631000     -0.3499000       1.298000
  1 1 1     -25   12    1 o    2.600000      0.6432000       2.805000 0.9098000       2.395000      0.9095000      0.4094000       1.286000
  1 1 1     -25   12    2 o    2.224000      0.6164000       1.885000 0.8230000       2.564000      0.9180000     -0.6789000       1.233000
  1 1 1     -25   12    3 o    3.151000      0.6145000       2.395000 0.9051000       3.906000      0.8315000      -1.511000       1.229000
  1 1 1     -25   12    4 f    5.222000      0.4580000       5.419000 0.5469000       5.025000      0.7348000      0.3943000      0.9160000
  1 1 1     -25   12    5 o    5.036000      0.4630000       4.923000 0.6135000       5.148000      0.6937000     -0.2244000      0.9261000
  1 1 1     -25   12    6 o    5.085000      0.4711000       4.957000 0.6639000       5.213000      0.6685000     -0.2565000      0.9421000
  1 1 1     -25   12    7 o    2.754000      0.6438000       2.189000 0.8815000       3.318000      0.9386000      -1.130000       1.288000
  1 1 1     -25   12    8 o    3.193000      0.6398000       3.342000 0.8485000       3.043000      0.9578000      0.2994000       1.280000
  1 1 1     -25   12    9 o    3.258000      0.7257000       3.272000 1.041000       3.244000       1.011000      0.2732000E-01   1.451000
  1 1 1     -25   12   10 o    2.470000      0.5981000       3.129000 0.8720000       1.811000      0.8188000       1.319000       1.196000
  1 1 1     -25   12   11 o    3.423000      0.9453000                  ?       ?   3.423000      0.9453000                  ?              ?
  1 1 1     -25   13    1 o    2.212000      0.6362000       2.069000 0.8673000       2.356000      0.9311000     -0.2874000       1.272000
  1 1 1     -25   13    2 f    2.593000      0.6541000       2.544000 0.9174000       2.641000      0.9324000     -0.9708000E-01   1.308000
  1 1 1     -25   13    3 f    4.081000      0.5674000       3.814000 0.8333000       4.347000      0.7702000     -0.5331000       1.135000
  1 1 1     -25   13    4 o    3.326000      0.6000000       2.447000 0.8891000       4.206000      0.8058000      -1.760000       1.200000
  1 1 1     -25   13    5 o    3.663000      0.5940000       3.462000 0.8314000       3.864000      0.8486000     -0.4021000       1.188000
  1 1 1     -25   13    6 o    2.375000      0.6451000       2.492000 0.9253000       2.258000      0.8993000      0.2348000       1.290000
  1 1 1     -25   13    7 o    3.424000      0.6403000       3.691000 0.8664000       3.158000      0.9431000      0.5331000       1.281000
  1 1 1     -25   13    8 o    3.356000      0.7691000       4.252000 1.107000       2.460000       1.068000       1.792000       1.538000
  1 1 1     -25   14    1 o    3.214000       1.159000       3.214000 1.159000                  ?              ?              ?              ?
  1 1 1     -24  -36    1 o    2.420000      0.6915000       2.134000 0.9232000       2.706000       1.030000     -0.5721000       1.383000
  1 1 1     -24  -36    2 o    2.329000      0.7626000       2.808000 1.250000       1.851000      0.8743000      0.9567000       1.525000
  1 1 1     -24  -36    3 o    3.812000       1.434000       3.812000 1.434000                  ?              ?              ?              ?
  1 1 1     -24  -35    1 o    2.783000      0.6513000       1.728000 0.8143000       3.837000       1.017000      -2.110000       1.303000
  1 1 1     -24  -35    2 o    2.665000      0.7007000       2.992000 0.9959000       2.338000      0.9859000      0.6537000       1.401000
  1 1 1     -24  -35    3 o    2.411000      0.6779000       2.573000 0.9608000       2.250000      0.9567000      0.3237000       1.356000
  1 1 1     -24  -35    4 o    2.787000      0.6996000       2.038000 0.9027000       3.535000       1.069000      -1.497000       1.399000
  1 1 1     -24  -35    5 o    2.660000      0.7382000       2.326000 1.002000       2.994000       1.084000     -0.6678000       1.476000
  1 1 1     -24  -35    6 o    2.845000      0.6685000       3.688000 0.9785000       2.001000      0.9112000       1.687000       1.337000
  1 1 1     -24  -35    7 o    2.604000      0.7323000       2.779000 1.042000       2.429000       1.029000      0.3491000       1.465000
  1 1 1     -24  -35    8 o    3.938000      0.6993000       3.975000 0.8476000       3.901000       1.113000      0.7412000E-01   1.399000
  1 1 1     -24  -34    1 o    3.494000      0.7096000       3.592000 0.9969000       3.397000       1.010000      0.1946000       1.419000
  1 1 1     -24  -34    2 o    2.052000      0.6301000       1.839000 0.8377000       2.264000      0.9415000     -0.4255000       1.260000
  1 1 1     -24  -34    3 f    3.105000      0.7247000       3.524000 1.002000       2.687000       1.047000      0.8374000       1.449000
  1 1 1     -24  -34    4 o    2.184000      0.6561000       2.368000 0.9455000       2.001000      0.9099000      0.3661000       1.312000
  1 1 1     -24  -34    5 o    2.658000      0.7208000       2.364000 0.9792000       2.952000       1.058000     -0.5877000       1.442000
  1 1 1     -24  -34    6 o    2.947000      0.7352000       3.067000 1.028000       2.828000       1.052000      0.2385000       1.470000
  1 1 1     -24  -34    7 o    2.326000      0.6650000       2.689000 0.9673000       1.962000      0.9127000      0.7271000       1.330000
  1 1 1     -24  -34    8 o    4.379000      0.6621000       4.064000 0.9781000       4.694000      0.8926000     -0.6293000       1.324000
  1 1 1     -24  -34    9 o    2.465000      0.6965000       2.772000 1.013000       2.157000      0.9563000      0.6147000       1.393000
  1 1 1     -24  -34   10 o    2.449000      0.7018000       2.860000 1.055000       2.038000      0.9264000      0.8224000       1.404000
  1 1 1     -24  -34   11 o    1.887000      0.6109000       2.132000 0.9252000       1.641000      0.7981000      0.4913000       1.222000
  1 1 1     -24  -33    1 f    4.110000      0.6367000       5.113000 0.7690000       3.108000       1.015000       2.006000       1.273000
  1 1 1     -24  -33    2 o    3.010000      0.6229000       1.874000 0.8391000       4.147000      0.9207000      -2.274000       1.246000
  1 1 1     -24  -33    3 o    3.344000      0.6700000       4.047000 0.8730000       2.640000       1.017000       1.407000       1.340000
  1 1 1     -24  -33    4 o    1.953000      0.6203000       2.192000 0.9413000       1.713000      0.8080000      0.4791000       1.241000
  1 1 1     -24  -33    5 o    3.365000      0.7367000       2.893000 1.048000       3.838000       1.036000     -0.9450000       1.473000
  1 1 1     -24  -33    6 o    4.202000      0.6472000       4.574000 0.7664000       3.830000       1.043000      0.7442000       1.294000
  1 1 1     -24  -33    7 o    4.591000      0.6487000       4.456000 0.8684000       4.726000      0.9640000     -0.2698000       1.297000
  1 1 1     -24  -33    8 o    3.539000      0.7365000       3.388000 1.032000       3.690000       1.051000     -0.3025000       1.473000
  1 1 1     -24  -33    9 o    3.242000      0.6098000       4.478000 0.8089000       2.006000      0.9128000       2.472000       1.220000
  1 1 1     -24  -33   10 o    3.702000      0.7083000       4.455000 0.8991000       2.949000       1.095000       1.506000       1.417000
  1 1 1     -24  -33   11 o    2.015000      0.6440000       1.935000 0.8687000       2.094000      0.9511000     -0.1592000       1.288000
  1 1 1     -24  -33   12 o    3.923000      0.7040000       3.708000 0.9904000       4.138000       1.001000     -0.4300000       1.408000
  1 1 1     -24  -33   13 o    2.934000      0.7171000       2.228000 0.9440000       3.640000       1.080000      -1.412000       1.434000
  1 1 1     -24  -32    1 o    2.002000      0.5972000       2.214000 0.8732000       1.791000      0.8149000      0.4228000       1.194000
  1 1 1     -24  -32    2 o    2.893000      0.6446000       3.536000 0.8973000       2.250000      0.9257000       1.286000       1.289000
  1 1 1     -24  -32    3 o    2.862000      0.6827000       2.593000 0.9402000       3.130000      0.9902000     -0.5369000       1.365000
  1 1 1     -24  -32    4 o    3.133000      0.7082000       3.324000 0.9651000       2.942000       1.037000      0.3821000       1.416000
  1 1 1     -24  -32    5 f    2.902000      0.7019000       2.998000 0.9684000       2.807000       1.016000      0.1913000       1.404000
  1 1 1     -24  -32    6 o    2.446000      0.6627000       1.914000 0.8282000       2.979000       1.035000      -1.066000       1.325000
  1 1 1     -24  -32    7 o    2.418000      0.6736000       2.628000 0.9449000       2.209000      0.9603000      0.4190000       1.347000
  1 1 1     -24  -32    8 o    2.430000      0.7015000       2.411000 0.9545000       2.448000       1.028000     -0.3632000E-01   1.403000
  1 1 1     -24  -32    9 o    3.051000      0.7100000       2.624000 0.9531000       3.479000       1.053000     -0.8554000       1.420000
  1 1 1     -24  -32   10 o    2.227000      0.6753000       2.106000 0.9064000       2.347000       1.001000     -0.2414000       1.351000
  1 1 1     -24  -32   11 o    1.910000      0.6161000       1.617000 0.7688000       2.204000      0.9630000     -0.5875000       1.232000
  1 1 1     -24  -32   12 o    3.087000      0.7298000       2.961000 1.000000       3.212000       1.063000     -0.2503000       1.460000
  1 1 1     -24  -32   13 o    3.162000      0.7155000       2.482000 0.9988000       3.842000       1.025000      -1.360000       1.431000
  1 1 1     -24  -32   14 o    3.607000      0.7335000       3.344000 1.015000       3.870000       1.059000     -0.5260000       1.467000
  1 1 1     -24  -32   15 o    3.011000      0.7423000       3.080000 1.030000       2.942000       1.069000      0.1381000       1.485000
  1 1 1     -24  -31    1 o    2.680000      0.6605000       2.863000 0.9370000       2.496000      0.9312000      0.3675000       1.321000
  1 1 1     -24  -31    2 o    2.555000      0.6470000       2.848000 0.9325000       2.262000      0.8972000      0.5868000       1.294000
  1 1 1     -24  -31    3 o    2.882000      0.6776000       2.879000 0.9388000       2.884000      0.9773000     -0.4820000E-02   1.355000
  1 1 1     -24  -31    4 o    4.556000      0.6272000       5.300000 0.7653000       3.812000      0.9938000       1.488000       1.254000
  1 1 1     -24  -31    5 o    5.680000      0.4702000       5.391000 0.6596000       5.968000      0.6704000     -0.5771000      0.9405000
  1 1 1     -24  -31    6 o    5.347000      0.4935000       5.557000 0.6158000       5.137000      0.7714000      0.4197000      0.9871000
  1 1 1     -24  -31    7 o    2.572000      0.6939000       2.421000 0.9367000       2.723000       1.024000     -0.3025000       1.388000
  1 1 1     -24  -31    8 o    3.255000      0.7155000       2.810000 0.9535000       3.700000       1.067000     -0.8899000       1.431000
  1 1 1     -24  -31    9 o    2.113000      0.6444000       2.052000 0.8778000       2.175000      0.9436000     -0.1234000       1.289000
  1 1 1     -24  -31   10 o    2.511000      0.6951000       2.495000 0.9517000       2.527000       1.014000     -0.3192000E-01   1.390000
  1 1 1     -24  -31   11 o    4.321000      0.6468000       4.801000 0.7778000       3.841000       1.034000      0.9593000       1.294000
  1 1 1     -24  -31   12 o    2.209000      0.6743000       1.910000 0.8715000       2.508000       1.029000     -0.5977000       1.349000
  1 1 1     -24  -31   13 o    2.596000      0.7067000       2.426000 0.9790000       2.766000       1.019000     -0.3397000       1.413000
  1 1 1     -24  -31   14 o    2.939000      0.7220000       2.593000 0.9866000       3.285000       1.054000     -0.6918000       1.444000
  1 1 1     -24  -31   15 o    2.539000      0.7262000       2.359000 0.9905000       2.719000       1.062000     -0.3599000       1.452000
  1 1 1     -24  -31   16 o    2.441000      0.6945000       2.570000 0.9814000       2.311000      0.9829000      0.2585000       1.389000
  1 1 1     -24  -31   17 o    3.047000      0.7252000       2.434000 0.9838000       3.660000       1.066000      -1.226000       1.450000
  1 1 1     -24  -30    1 o    2.594000      0.5615000       3.575000 0.8260000       1.614000      0.7608000       1.961000       1.123000
  1 1 1     -24  -30    2 o    2.068000      0.6188000       2.188000 0.8855000       1.948000      0.8645000      0.2397000       1.238000
  1 1 1     -24  -30    3 o    2.202000      0.6357000       2.288000 0.9087000       2.116000      0.8893000      0.1720000       1.271000
  1 1 1     -24  -30    4 o    2.445000      0.5422000       3.512000 0.8461000       1.377000      0.6783000       2.135000       1.084000
  1 1 1     -24  -30    5 o    5.821000      0.4723000       6.665000 0.5401000       4.978000      0.7748000       1.687000      0.9445000
  1 1 1     -24  -30    6 o    4.779000      0.5355000       4.643000 0.7348000       4.916000      0.7791000     -0.2723000       1.071000
  1 1 1     -24  -30    7 o    4.395000      0.6032000       4.591000 0.8020000       4.198000      0.9012000      0.3934000       1.206000
  1 1 1     -24  -30    8 o    3.632000      0.6651000       3.444000 0.9071000       3.820000      0.9730000     -0.3758000       1.330000
  1 1 1     -24  -30    9 o    2.657000      0.6845000       2.737000 0.9322000       2.578000       1.003000      0.1583000       1.369000
  1 1 1     -24  -30   10 o    3.068000      0.7125000       2.482000 0.9400000       3.654000       1.071000      -1.172000       1.425000
  1 1 1     -24  -30   11 o    3.833000      0.6431000       3.292000 0.9058000       4.374000      0.9131000      -1.082000       1.286000
  1 1 1     -24  -30   12 o    2.956000      0.7345000       2.970000 0.9973000       2.942000       1.079000      0.2737000E-01   1.469000
  1 1 1     -24  -30   13 o    2.856000      0.7243000       3.121000 1.016000       2.591000       1.032000      0.5299000       1.449000
  1 1 1     -24  -30   14 o    2.226000      0.6667000       1.979000 0.8800000       2.473000       1.002000     -0.4938000       1.333000
  1 1 1     -24  -30   15 o    5.163000      0.5759000       5.251000 0.7515000       5.075000      0.8729000      0.1766000       1.152000
  1 1 1     -24  -30   16 o    2.857000      0.7386000       2.397000 0.9916000       3.316000       1.095000     -0.9194000       1.477000
  1 1 1     -24  -30   17 o    2.244000      0.6724000       2.364000 0.9769000       2.124000      0.9242000      0.2396000       1.345000
  1 1 1     -24  -30   18 o    1.707000      0.5713000       1.842000 0.8495000       1.571000      0.7642000      0.2713000       1.143000
  1 1 1     -24  -29    1 o    3.544000      0.7296000       3.917000 0.8768000       3.172000       1.166000      0.7444000       1.459000
  1 1 1     -24  -29    2 o    2.278000      0.6826000       2.332000 0.9361000       2.225000      0.9938000      0.1061000       1.365000
  1 1 1     -24  -29    3 o    4.045000      0.5800000       3.532000 0.8717000       4.558000      0.7653000      -1.027000       1.160000
  1 1 1     -24  -29    4 o    4.179000      0.5792000       3.619000 0.8803000       4.738000      0.7529000      -1.118000       1.158000
  1 1 1     -24  -29    5 o    5.695000      0.4452000       6.009000 0.5636000       5.380000      0.6893000      0.6290000      0.8904000
  1 1 1     -24  -29    6 o    2.647000      0.6638000       2.640000 0.8981000       2.653000      0.9777000     -0.1280000E-01   1.328000
  1 1 1     -24  -29    7 o    3.406000      0.5751000       4.589000 0.6813000       2.223000      0.9268000       2.366000       1.150000
  1 1 1     -24  -29    8 o    3.641000      0.6643000       3.477000 0.9155000       3.805000      0.9629000     -0.3276000       1.329000
  1 1 1     -24  -29    9 o    2.881000      0.7002000       2.839000 0.9256000       2.923000       1.051000     -0.8413000E-01   1.400000
  1 1 1     -24  -29   10 o    4.961000      0.5324000       5.175000 0.6825000       4.747000      0.8173000      0.4281000       1.065000
  1 1 1     -24  -29   11 o    1.861000      0.5937000       1.959000 0.8433000       1.762000      0.8358000      0.1973000       1.187000
  1 1 1     -24  -29   12 o    3.853000      0.6915000       4.333000 0.8366000       3.373000       1.101000      0.9605000       1.383000
  1 1 1     -24  -29   13 o    2.631000      0.6972000       2.369000 0.9384000       2.893000       1.031000     -0.5241000       1.394000
  1 1 1     -24  -29   14 o    2.494000      0.7073000       2.586000 0.9988000       2.401000       1.002000      0.1848000       1.415000
  1 1 1     -24  -29   15 o    3.942000      0.7150000       4.128000 0.9289000       3.756000       1.087000      0.3724000       1.430000
  1 1 1     -24  -29   16 o    2.104000      0.6267000       2.616000 0.9900000       1.592000      0.7686000       1.024000       1.253000
  1 1 1     -24  -29   17 o    2.328000      0.6774000       2.604000 0.9914000       2.052000      0.9234000      0.5522000       1.355000
  1 1 1     -24  -29   18 o    2.002000      0.6281000       2.206000 0.9341000       1.798000      0.8399000      0.4075000       1.256000
  1 1 1     -24  -29   19 o    2.305000      0.6593000       2.738000 0.9887000       1.871000      0.8725000      0.8676000       1.319000
  1 1 1     -24  -29   20 o    2.198000      0.7178000       2.621000 1.166000       1.776000      0.8377000      0.8443000       1.436000
  1 1 1     -24  -28    1 o    3.761000      0.5324000       3.637000 0.6572000       3.885000      0.8378000     -0.2488000       1.065000
  1 1 1     -24  -28    2 o    3.960000      0.5505000       3.991000 0.6980000       3.929000      0.8516000      0.6204000E-01   1.101000
  1 1 1     -24  -28    3 o    3.339000      0.7270000       3.213000 0.8900000       3.465000       1.150000     -0.2521000       1.454000
  1 1 1     -24  -28    4 o    3.311000      0.7558000       2.596000 0.9718000       4.026000       1.158000      -1.430000       1.512000
  1 1 1     -24  -28    5 o    3.677000      0.5986000       3.064000 0.8683000       4.290000      0.8243000      -1.226000       1.197000
  1 1 1     -24  -28    6 o    5.658000      0.4484000       5.532000 0.5882000       5.784000      0.6770000     -0.2521000      0.8968000
  1 1 1     -24  -28    7 o    5.692000      0.4770000       6.449000 0.5172000       4.935000      0.8016000       1.513000      0.9540000
  1 1 1     -24  -28    8 o    4.456000      0.5511000       3.387000 0.8896000       5.524000      0.6508000      -2.137000       1.102000
  1 1 1     -24  -28    9 o    7.779000      0.3653000       7.329000 0.4949000       8.229000      0.5375000     -0.9003000      0.7307000
  1 1 1     -24  -28   10 o    2.981000      0.6525000       3.682000 0.8830000       2.280000      0.9608000       1.402000       1.305000
  1 1 1     -24  -28   11 o    4.739000      0.6014000       5.189000 0.7050000       4.289000      0.9744000      0.8998000       1.203000
  1 1 1     -24  -28   12 o    2.758000      0.6811000       2.265000 0.9088000       3.251000       1.015000     -0.9860000       1.362000
  1 1 1     -24  -28   13 o    2.040000      0.6403000       1.841000 0.8305000       2.239000      0.9748000     -0.3980000       1.281000
  1 1 1     -24  -28   14 o    3.311000      0.7491000       3.200000 1.032000       3.422000       1.086000     -0.2219000       1.498000
  1 1 1     -24  -28   15 o    3.465000      0.7131000       3.088000 1.025000       3.842000      0.9919000     -0.7544000       1.426000
  1 1 1     -24  -28   16 o    3.505000      0.7265000       3.231000 0.9904000       3.778000       1.063000     -0.5467000       1.453000
  1 1 1     -24  -28   17 o    3.053000      0.7234000       2.491000 0.9706000       3.616000       1.073000      -1.125000       1.447000
  1 1 1     -24  -28   18 o    2.986000      0.7281000       2.435000 0.9738000       3.537000       1.083000      -1.102000       1.456000
  1 1 1     -24  -28   19 o    2.209000      0.6800000       2.246000 0.9514000       2.173000      0.9719000      0.7376000E-01   1.360000
  1 1 1     -24  -28   20 o    2.705000      0.7201000       2.937000 1.018000       2.473000       1.019000      0.4645000       1.440000
  1 1 1     -24  -28   21 o    3.242000      0.7272000       3.283000 0.9317000       3.200000       1.117000      0.8346000E-01   1.454000
  1 1 1     -24  -27    1 o    2.307000      0.9886000                  ?       ?   2.307000      0.9886000                  ?              ?
  1 1 1     -24  -27    2 o    6.193000      0.4005000       5.231000 0.4908000       7.156000      0.6331000      -1.925000      0.8010000
  1 1 1     -24  -27    3 o    4.381000      0.4872000       4.161000 0.6525000       4.601000      0.7237000     -0.4402000      0.9744000
  1 1 1     -24  -27    4 o    3.469000      0.5698000       2.282000 0.8486000       4.655000      0.7608000      -2.373000       1.140000
  1 1 1     -24  -27    5 o    3.488000      0.7579000       2.969000 0.9361000       4.007000       1.192000      -1.039000       1.516000
  1 1 1     -24  -27    6 o    4.776000      0.6509000       4.324000 0.7944000       5.228000       1.031000     -0.9038000       1.302000
  1 1 1     -24  -27    7 o    1.914000      0.5901000       1.938000 0.8200000       1.890000      0.8489000      0.4790000E-01   1.180000
  1 1 1     -24  -27    8 o    6.116000      0.4171000       6.025000 0.5621000       6.207000      0.6163000     -0.1817000      0.8341000
  1 1 1     -24  -27    9 o    9.535000      0.3185000       9.793000 0.4279000       9.276000      0.4718000      0.5175000      0.6369000
  1 1 1     -24  -27   10 o    3.576000      0.7007000       3.476000 0.9571000       3.676000       1.024000     -0.2002000       1.401000
  1 1 1     -24  -27   11 o    4.466000      0.5638000       3.852000 0.8515000       5.081000      0.7393000      -1.230000       1.128000
  1 1 1     -24  -27   12 o    3.576000      0.6959000       3.627000 0.9051000       3.526000       1.057000      0.1009000       1.392000
  1 1 1     -24  -27   13 f    2.717000      0.7160000       2.224000 0.9383000       3.210000       1.082000     -0.9858000       1.432000
  1 1 1     -24  -27   14 o    4.125000      0.6424000       4.672000 0.7946000       3.578000       1.010000       1.094000       1.285000
  1 1 1     -24  -27   15 o    3.937000      0.6676000       4.917000 0.7795000       2.957000       1.084000       1.961000       1.335000
  1 1 1     -24  -27   16 o    4.344000      0.6863000       4.233000 0.9238000       4.455000       1.015000     -0.2217000       1.373000
  1 1 1     -24  -27   17 o    3.203000      0.7440000       3.172000 1.017000       3.233000       1.086000     -0.6091000E-01   1.488000
  1 1 1     -24  -27   18 o    3.065000      0.6951000       2.121000 0.9281000       4.009000       1.035000      -1.888000       1.390000
  1 1 1     -24  -27   19 o    2.083000      0.6463000       2.254000 0.9499000       1.912000      0.8766000      0.3420000       1.293000
  1 1 1     -24  -27   20 o    3.271000      0.7588000       3.588000 1.054000       2.955000       1.092000      0.6327000       1.518000
  1 1 1     -24  -27   21 o    2.862000      0.6692000       3.885000 1.021000       1.840000      0.8656000       2.045000       1.338000
  1 1 1     -24  -27   22 o    2.057000      0.6460000       2.030000 0.8799000       2.083000      0.9462000     -0.5312000E-01   1.292000
  1 1 1     -24  -26    1 o    4.829000      0.6884000                  ?       ?   4.829000      0.6884000                  ?              ?
  1 1 1     -24  -26    2 o    7.487000      0.4539000       7.997000 0.7770000       6.977000      0.4693000       1.020000      0.9077000
  1 1 1     -24  -26    3 o    3.110000      0.7033000       2.272000 1.010000       3.948000      0.9785000      -1.676000       1.407000
  1 1 1     -24  -26    4 o    4.800000      0.7335000       4.335000 1.188000       5.264000      0.8600000     -0.9287000       1.467000
  1 1 1     -24  -26    5 o    2.382000      0.6125000       2.818000 0.8667000       1.947000      0.8658000      0.8715000       1.225000
  1 1 1     -24  -26    6 o    2.975000      0.6676000       2.979000 0.9170000       2.971000      0.9705000      0.7494000E-02   1.335000
  1 1 1     -24  -26    7 o    5.597000      0.6191000       5.943000 0.6255000       5.251000       1.069000      0.6920000       1.238000
  1 1 1     -24  -26    8 o    8.284000      0.4473000       7.915000 0.5917000       8.653000      0.6709000     -0.7376000      0.8946000
  1 1 1     -24  -26    9 o    7.303000      0.3974000       7.175000 0.5294000       7.430000      0.5928000     -0.2555000      0.7948000
  1 1 1     -24  -26   10 o    2.879000      0.6879000       2.645000 0.9361000       3.113000       1.008000     -0.4680000       1.376000
  1 1 1     -24  -26   11 o    3.462000      0.6259000       4.379000 0.7704000       2.545000      0.9867000       1.834000       1.252000
  1 1 1     -24  -26   12 o    5.790000      0.4757000       5.276000 0.7035000       6.305000      0.6404000      -1.029000      0.9513000
  1 1 1     -24  -26   13 f    2.225000      0.6617000       2.256000 0.9090000       2.195000      0.9618000      0.6155000E-01   1.323000
  1 1 1     -24  -26   14 o    3.563000      0.6720000       4.105000 0.8607000       3.021000       1.032000       1.085000       1.344000
  1 1 1     -24  -26   15 f    9.240000      0.3677000       9.494000 0.4944000       8.985000      0.5444000      0.5086000      0.7354000
  1 1 1     -24  -26   16 o    4.621000      0.6413000       5.136000 0.7902000       4.106000       1.010000       1.030000       1.283000
  1 1 1     -24  -26   17 o    3.172000      0.7344000       3.016000 1.029000       3.329000       1.048000     -0.3128000       1.469000
  1 1 1     -24  -26   18 f    5.639000      0.5296000       5.947000 0.6692000       5.332000      0.8209000      0.6155000       1.059000
  1 1 1     -24  -26   19 o    2.420000      0.6792000       2.667000 0.9749000       2.174000      0.9458000      0.4924000       1.358000
  1 1 1     -24  -26   20 o    2.355000      0.6945000       2.452000 1.000000       2.257000      0.9636000      0.1950000       1.389000
  1 1 1     -24  -26   21 f    2.230000      0.6713000       1.957000 0.8818000       2.502000       1.012000     -0.5448000       1.343000
  1 1 1     -24  -26   22 o    2.355000      0.6920000       2.619000 1.020000       2.090000      0.9355000      0.5297000       1.384000
  1 1 1     -24  -26   23 o    3.836000      0.8787000       3.732000 1.174000       3.940000       1.308000     -0.2081000       1.757000
  1 1 1     -24  -25    1 o    2.150000      0.5551000       1.381000 0.6516000       2.918000      0.8989000      -1.536000       1.110000
  1 1 1     -24  -25    2 o    6.281000      0.3689000       6.752000 0.4551000       5.810000      0.5806000      0.9419000      0.7377000
  1 1 1     -24  -25    3 o    7.365000      0.3266000       7.618000 0.4413000       7.111000      0.4815000      0.5072000      0.6532000
  1 1 1     -24  -25    4 o    4.151000      0.6750000       4.049000 1.138000       4.254000      0.7258000     -0.2055000       1.350000
  1 1 1     -24  -25    5 o    6.713000      0.5638000       6.813000 0.8602000       6.613000      0.7290000      0.1998000       1.128000
  1 1 1     -24  -25    6 o    3.340000      0.6928000       3.195000 0.7696000       3.486000       1.152000     -0.2912000       1.386000
  1 1 1     -24  -25    7 o    2.382000      0.6401000       2.003000 0.8489000       2.760000      0.9583000     -0.7573000       1.280000
  1 1 1     -24  -25    8 o    3.593000      0.6233000       2.898000 0.9263000       4.289000      0.8342000      -1.390000       1.247000
  1 1 1     -24  -25    9 o    5.957000      0.5937000       6.668000 0.6075000       5.247000       1.020000       1.421000       1.187000
  1 1 1     -24  -25   10 o    3.872000      0.8075000       3.694000 1.014000       4.050000       1.257000     -0.3559000       1.615000
  1 1 1     -24  -25   11 o    4.801000      0.5242000       5.357000 0.6365000       4.245000      0.8331000       1.112000       1.048000
  1 1 1     -24  -25   12 o    7.787000      0.3872000       8.514000 0.4867000       7.059000      0.6023000       1.455000      0.7744000
  1 1 1     -24  -25   13 o    2.841000      0.6983000       3.215000 0.9772000       2.468000      0.9978000      0.7469000       1.397000
  1 1 1     -24  -25   14 f    3.458000      0.6452000       2.733000 0.9419000       4.182000      0.8821000      -1.450000       1.290000
  1 1 1     -24  -25   15 o    3.324000      0.7088000       2.657000 0.9672000       3.991000       1.037000      -1.334000       1.418000
  1 1 1     -24  -25   16 o    4.958000      0.6041000       6.180000 0.6284000       3.736000       1.032000       2.444000       1.208000
  1 1 1     -24  -25   17 o    6.177000      0.4996000       5.704000 0.7203000       6.650000      0.6924000     -0.9462000      0.9991000
  1 1 1     -24  -25   18 o    8.131000      0.4205000       9.053000 0.5279000       7.209000      0.6546000       1.843000      0.8410000
  1 1 1     -24  -25   19 o    3.583000      0.7389000       3.629000 1.011000       3.538000       1.078000      0.9097000E-01   1.478000
  1 1 1     -24  -25   20 o    3.427000      0.7255000       4.075000 0.9894000       2.779000       1.062000       1.296000       1.451000
  1 1 1     -24  -25   21 o    2.425000      0.6894000       2.241000 0.9388000       2.608000       1.010000     -0.3670000       1.379000
  1 1 1     -24  -25   22 o    2.205000      0.6614000       2.476000 0.9833000       1.935000      0.8849000      0.5410000       1.323000
  1 1 1     -24  -25   23 o    2.628000      0.7062000       2.892000 1.016000       2.364000      0.9806000      0.5279000       1.412000
  1 1 1     -24  -24    1 o    3.353000      0.5476000       3.456000 0.7011000       3.250000      0.8413000      0.2062000       1.095000
  1 1 1     -24  -24    2 o    1.646000      0.5249000       1.321000 0.6266000       1.972000      0.8422000     -0.6509000       1.050000
  1 1 1     -24  -24    3 o    6.768000      0.3419000       6.734000 0.4551000       6.801000      0.5103000     -0.6724000E-01  0.6838000
  1 1 1     -24  -24    4 o    8.669000      0.3022000       8.464000 0.4123000       8.873000      0.4419000     -0.4093000      0.6044000
  1 1 1     -24  -24    5 o    10.77000      0.2788000       10.68000 0.3899000       10.86000      0.3987000     -0.1748000      0.5576000
  1 1 1     -24  -24    6 o    5.376000      0.6306000       5.041000 0.9760000       5.711000      0.7986000     -0.6702000       1.261000
  1 1 1     -24  -24    7 o    2.430000      0.7467000       2.642000 1.121000       2.218000      0.9866000      0.4246000       1.493000
  1 1 1     -24  -24    8 o    2.040000      0.5962000       2.428000 0.8988000       1.653000      0.7836000      0.7747000       1.192000
  1 1 1     -24  -24    9 o    5.853000      0.4117000       5.925000 0.5734000       5.781000      0.5910000      0.1448000      0.8234000
  1 1 1     -24  -24   10 o    3.245000      0.7934000       3.279000 0.9909000       3.210000       1.239000      0.6906000E-01   1.587000
  1 1 1     -24  -24   11 f    6.458000      0.6003000       7.042000 0.6545000       5.874000       1.007000       1.168000       1.201000
  1 1 1     -24  -24   12 f    3.807000      0.6133000       3.912000 0.8234000       3.703000      0.9091000      0.2089000       1.227000
  1 1 1     -24  -24   13 f    5.877000      0.4758000       5.697000 0.6380000       6.057000      0.7060000     -0.3595000      0.9515000
  1 1 1     -24  -24   14 o    6.930000      0.4137000       6.741000 0.5907000       7.119000      0.5795000     -0.3783000      0.8275000
  1 1 1     -24  -24   15 o    3.296000      0.7169000       3.365000 0.9854000       3.228000       1.042000      0.1368000       1.434000
  1 1 1     -24  -24   16 o    8.852000      0.3734000       9.297000 0.5072000       8.407000      0.5480000      0.8906000      0.7467000
  1 1 1     -24  -24   17 o    5.264000      0.5455000       5.735000 0.6666000       4.794000      0.8638000      0.9409000       1.091000
  1 1 1     -24  -24   18 o    1.977000      0.6325000       1.879000 0.8622000       2.076000      0.9257000     -0.1967000       1.265000
  1 1 1     -24  -24   19 o    7.013000      0.4277000       7.571000 0.5534000       6.455000      0.6522000       1.116000      0.8553000
  1 1 1     -24  -24   20 o    3.429000      0.7567000       3.480000 1.062000       3.377000       1.078000      0.1028000       1.513000
  1 1 1     -24  -24   21 o    2.590000      0.6985000       2.153000 0.9338000       3.027000       1.039000     -0.8737000       1.397000
  1 1 1     -24  -24   22 o    1.742000      0.5819000       1.951000 0.8876000       1.533000      0.7527000      0.4180000       1.164000
  1 1 1     -24  -24   23 o    3.568000      0.6974000       2.930000 1.015000       4.207000      0.9570000      -1.277000       1.395000
  1 1 1     -24  -24   24 o    3.452000      0.6775000       4.006000 0.9199000       2.898000      0.9949000       1.108000       1.355000
  1 1 1     -24  -23    1 o    2.569000      0.5968000       2.739000 0.8233000       2.398000      0.8642000      0.3418000       1.194000
  1 1 1     -24  -23    2 f    9.146000      0.4148000                  ?       ?   9.146000      0.4148000                  ?              ?
  1 1 1     -24  -23    3 o    7.089000      0.3135000       7.247000 0.4118000       6.930000      0.4727000      0.3166000      0.6270000
  1 1 1     -24  -23    4 o    5.471000      0.3842000       5.538000 0.4774000       5.405000      0.6021000      0.1328000      0.7684000
  1 1 1     -24  -23    5 o    7.474000      0.3273000       7.701000 0.4162000       7.246000      0.5053000      0.4547000      0.6546000
  1 1 1     -24  -23    6 o    8.893000      0.3004000       8.927000 0.4253000       8.859000      0.4244000      0.6825000E-01  0.6008000
  1 1 1     -24  -23    7 o    3.405000      0.6252000       3.618000 0.8496000       3.192000      0.9176000      0.4261000       1.250000
  1 1 1     -24  -23    8 o    7.155000      0.5221000       7.264000 0.7818000       7.045000      0.6922000      0.2193000       1.044000
  1 1 1     -24  -23    9 o    11.03000      0.4590000       11.68000 0.6793000       10.39000      0.6174000       1.292000      0.9179000
  1 1 1     -24  -23   10 f    2.589000      0.6057000       3.370000 0.8864000       1.807000      0.8257000       1.563000       1.211000
  1 1 1     -24  -23   11 o    2.424000      0.6612000       2.541000 0.9394000       2.308000      0.9308000      0.2324000       1.322000
  1 1 1     -24  -23   12 o    6.652000      0.5700000       7.004000 0.6767000       6.300000      0.9173000      0.7033000       1.140000
  1 1 1     -24  -23   13 o    3.015000      0.7034000       2.830000 0.9512000       3.201000       1.037000     -0.3710000       1.407000
  1 1 1     -24  -23   14 o    5.391000      0.5340000       5.520000 0.6936000       5.262000      0.8121000      0.2578000       1.068000
  1 1 1     -24  -23   15 f    5.217000      0.5253000       5.242000 0.7186000       5.192000      0.7665000      0.4981000E-01   1.051000
  1 1 1     -24  -23   16 o    10.19000      0.3466000       9.980000 0.4939000       10.40000      0.4865000     -0.4218000      0.6932000
  1 1 1     -24  -23   17 o    3.481000      0.7083000       3.518000 0.9949000       3.444000       1.008000      0.7373000E-01   1.417000
  1 1 1     -24  -23   18 o    5.832000      0.5623000       6.747000 0.6591000       4.916000      0.9112000       1.832000       1.125000
  1 1 1     -24  -23   19 o    2.699000      0.7266000       2.936000 1.041000       2.463000       1.014000      0.4739000       1.453000
  1 1 1     -24  -23   20 o    2.091000      0.6651000       2.106000 0.9376000       2.076000      0.9437000      0.3005000E-01   1.330000
  1 1 1     -24  -23   21 o    2.217000      0.6728000       2.405000 0.9894000       2.030000      0.9121000      0.3756000       1.346000
  1 1 1     -24  -23   22 o    2.449000      0.6812000       1.964000 0.8868000       2.934000       1.034000     -0.9703000       1.362000
  1 1 1     -24  -23   23 o    2.134000      0.6492000       1.908000 0.8657000       2.359000      0.9678000     -0.4509000       1.298000
  1 1 1     -24  -23   24 o    2.895000      0.7262000       2.964000 1.030000       2.826000       1.024000      0.1387000       1.452000
  1 1 1     -24  -23   25 o    3.031000      0.7142000       3.169000 0.9890000       2.893000       1.031000      0.2759000       1.428000
  1 1 1     -24  -22    1 o    5.634000      0.3482000       5.621000 0.4659000       5.647000      0.5176000     -0.2667000E-01  0.6964000
  1 1 1     -24  -22    2 o    9.929000      0.3927000                  ?       ?   9.929000      0.3927000                  ?              ?
  1 1 1     -24  -22    3 o    1.798000      0.5502000       1.562000 0.7116000       2.035000      0.8393000     -0.4730000       1.100000
  1 1 1     -24  -22    4 o    9.536000      0.2852000       9.523000 0.3847000       9.549000      0.4211000     -0.2599000E-01  0.5704000
  1 1 1     -24  -22    5 o    12.99000      0.2787000       12.77000 0.3893000       13.21000      0.3990000     -0.4370000      0.5574000
  1 1 1     -24  -22    6 o    8.003000      0.3079000       8.152000 0.4174000       7.855000      0.4528000      0.2972000      0.6159000
  1 1 1     -24  -22    7 o    9.228000      0.3014000       9.331000 0.4128000       9.124000      0.4394000      0.2067000      0.6029000
  1 1 1     -24  -22    8 o    12.21000      0.2893000       12.30000 0.3952000       12.12000      0.4227000      0.1801000      0.5787000
  1 1 1     -24  -22    9 o    4.198000      0.6907000       5.472000 0.9082000       2.924000       1.041000       2.548000       1.381000
  1 1 1     -24  -22   10 o    4.412000      0.7632000       3.430000 1.200000       5.395000      0.9440000      -1.965000       1.526000
  1 1 1     -24  -22   11 o    5.765000      0.4731000       6.687000 0.5686000       4.843000      0.7562000       1.844000      0.9462000
  1 1 1     -24  -22   12 o    9.466000      0.3299000       9.659000 0.4643000       9.273000      0.4688000      0.3863000      0.6598000
  1 1 1     -24  -22   13 o    10.24000      0.4335000       10.04000 0.5666000       10.44000      0.6562000     -0.4000000      0.8670000
  1 1 1     -24  -22   14 o    5.569000      0.5130000       6.257000 0.5600000       4.881000      0.8597000       1.377000       1.026000
  1 1 1     -24  -22   15 o    7.364000      0.4189000       7.621000 0.5476000       7.107000      0.6342000      0.5139000      0.8379000
  1 1 1     -24  -22   16 f    9.334000      0.3591000       9.920000 0.4734000       8.748000      0.5401000       1.173000      0.7183000
  1 1 1     -24  -22   17 o    5.115000      0.5992000       4.854000 0.8617000       5.376000      0.8328000     -0.5216000       1.198000
  1 1 1     -24  -22   18 o    4.452000      0.6624000       3.988000 0.9813000       4.916000      0.8900000     -0.9282000       1.325000
  1 1 1     -24  -22   19 o    3.186000      0.7009000       4.086000 0.9985000       2.287000      0.9839000       1.799000       1.402000
  1 1 1     -24  -22   20 o    2.115000      0.6423000       1.546000 0.7434000       2.684000       1.048000      -1.138000       1.285000
  1 1 1     -24  -22   21 o    1.890000      0.6172000       1.753000 0.8325000       2.027000      0.9115000     -0.2744000       1.234000
  1 1 1     -24  -22   22 o    3.318000      0.7520000       2.847000 1.086000       3.789000       1.040000     -0.9423000       1.504000
  1 1 1     -24  -22   23 o    2.205000      0.6678000       2.419000 0.9860000       1.992000      0.9008000      0.4275000       1.336000
  1 1 1     -24  -22   24 o    3.115000      0.6877000       3.802000 0.9594000       2.428000      0.9855000       1.374000       1.375000
  1 1 1     -24  -22   25 o    2.917000      0.7438000       3.118000 1.060000       2.716000       1.044000      0.4018000       1.488000
  1 1 1     -24  -21    1 o    9.695000      0.2687000       10.11000 0.3721000       9.278000      0.3876000      0.8324000      0.5373000
  1 1 1     -24  -21    2 o    6.455000      0.4057000       6.321000 0.6598000       6.589000      0.4723000     -0.2680000      0.8114000
  1 1 1     -24  -21    3 o    1.601000      0.5191000       1.580000 0.7241000       1.622000      0.7440000     -0.4196000E-01   1.038000
  1 1 1     -24  -21    4 o    3.024000      0.5955000       3.587000 0.7938000       2.460000      0.8879000       1.126000       1.191000
  1 1 1     -24  -21    5 o    5.756000      0.3746000       5.655000 0.5307000       5.858000      0.5289000     -0.2031000      0.7492000
  1 1 1     -24  -21    6 o    6.192000      0.3561000       5.842000 0.4947000       6.541000      0.5122000     -0.6990000      0.7121000
  1 1 1     -24  -21    7 o    4.263000      0.5073000       4.220000 0.7092000       4.307000      0.7256000     -0.8763000E-01   1.015000
  1 1 1     -24  -21    8 o    6.195000      0.3834000       6.276000 0.5358000       6.114000      0.5484000      0.1627000      0.7667000
  1 1 1     -24  -21    9 o    10.69000      0.2921000       11.08000 0.4075000       10.29000      0.4188000      0.7942000      0.5843000
  1 1 1     -24  -21   10 o    12.39000      0.4328000       12.59000 0.6307000       12.20000      0.5929000      0.3935000      0.8657000
  1 1 1     -24  -21   11 o    7.142000      0.5347000       6.932000 0.7895000       7.353000      0.7213000     -0.4210000       1.069000
  1 1 1     -24  -21   12 o    7.118000      0.3658000       7.018000 0.5157000       7.218000      0.5189000     -0.2004000      0.7316000
  1 1 1     -24  -21   13 o    2.715000      0.6516000       2.063000 0.8661000       3.367000      0.9738000      -1.304000       1.303000
  1 1 1     -24  -21   14 o    5.446000      0.7120000       6.308000 0.7651000       4.583000       1.201000       1.725000       1.424000
  1 1 1     -24  -21   15 o    5.780000      0.4785000       5.662000 0.6585000       5.897000      0.6944000     -0.2346000      0.9570000
  1 1 1     -24  -21   16 o    3.424000      0.6522000       2.270000 0.9538000       4.577000      0.8899000      -2.307000       1.304000
  1 1 1     -24  -21   17 o    4.133000      0.6628000       3.625000 0.9789000       4.641000      0.8939000      -1.015000       1.326000
  1 1 1     -24  -21   18 o    3.302000      0.6918000       3.908000 0.9374000       2.696000       1.018000       1.212000       1.384000
  1 1 1     -24  -21   19 o    2.095000      0.6492000       1.805000 0.8303000       2.385000      0.9983000     -0.5800000       1.298000
  1 1 1     -24  -21   20 o    4.967000      0.5969000       5.435000 0.7229000       4.498000      0.9501000      0.9363000       1.194000
  1 1 1     -24  -21   21 o    2.798000      0.7181000       3.458000 1.067000       2.138000      0.9614000       1.319000       1.436000
  1 1 1     -24  -21   22 o    4.253000      0.6986000       3.838000 1.051000       4.667000      0.9211000     -0.8289000       1.397000
  1 1 1     -24  -21   23 o    2.781000      0.7029000       3.402000 1.060000       2.161000      0.9238000       1.240000       1.406000
  1 1 1     -24  -21   24 o    3.071000      0.7454000       2.610000 1.025000       3.532000       1.083000     -0.9216000       1.491000
  1 1 1     -24  -21   25 o    2.252000      0.6744000       2.091000 0.9141000       2.412000      0.9918000     -0.3206000       1.349000
  1 1 1     -24  -21   26 o    2.967000      0.7249000       3.362000 1.032000       2.573000       1.019000      0.7890000       1.450000
  1 1 1     -24  -20    1 o    6.360000      0.3338000       5.798000 0.4815000       6.922000      0.4626000      -1.125000      0.6677000
  1 1 1     -24  -20    2 o    4.456000      0.4527000       4.713000 0.5439000       4.200000      0.7239000      0.5137000      0.9055000
  1 1 1     -24  -20    3 o    4.650000      0.4194000       4.716000 0.5374000       4.584000      0.6441000      0.1315000      0.8389000
  1 1 1     -24  -20    4 o    3.476000      0.5536000       3.360000 0.7716000       3.592000      0.7942000     -0.2322000       1.107000
  1 1 1     -24  -20    5 o    3.215000      0.5828000       2.855000 0.8521000       3.576000      0.7952000     -0.7210000       1.166000
  1 1 1     -24  -20    6 o    6.589000      0.3467000       6.935000 0.4514000       6.242000      0.5264000      0.6930000      0.6934000
  1 1 1     -24  -20    7 o    13.82000      0.2817000       13.55000 0.3900000       14.09000      0.4066000     -0.5405000      0.5635000
  1 1 1     -24  -20    8 o    3.377000      0.5861000       4.114000 0.7554000       2.641000      0.8964000       1.473000       1.172000
  1 1 1     -24  -20    9 o    14.68000      0.2908000       14.57000 0.4042000       14.80000      0.4182000     -0.2311000      0.5816000
  1 1 1     -24  -20   10 o    13.38000      0.2921000       13.51000 0.4131000       13.25000      0.4130000      0.2529000      0.5841000
  1 1 1     -24  -20   11 o    5.014000      0.7221000       4.796000 1.077000       5.232000      0.9618000     -0.4356000       1.444000
  1 1 1     -24  -20   12 o    7.499000      0.5266000       7.887000 0.7792000       7.111000      0.7086000      0.7758000       1.053000
  1 1 1     -24  -20   13 o    4.948000      0.4901000       4.651000 0.6870000       5.245000      0.6993000     -0.5934000      0.9802000
  1 1 1     -24  -20   14 o    2.776000      0.6358000       1.961000 0.8729000       3.592000      0.9247000      -1.631000       1.272000
  1 1 1     -24  -20   15 o    5.182000      0.7474000       5.321000 0.9056000       5.043000       1.189000      0.2785000       1.495000
  1 1 1     -24  -20   16 o    5.533000      0.4879000       5.414000 0.6927000       5.653000      0.6872000     -0.2391000      0.9757000
  1 1 1     -24  -20   17 o    4.893000      0.5745000       4.087000 0.8844000       5.699000      0.7335000      -1.612000       1.149000
  1 1 1     -24  -20   18 o    3.550000      0.6944000       3.449000 0.9658000       3.651000      0.9980000     -0.2028000       1.389000
  1 1 1     -24  -20   19 o    2.639000      0.7160000       2.534000 1.007000       2.743000       1.018000     -0.2089000       1.432000
  1 1 1     -24  -20   20 o    6.064000      0.5198000       6.098000 0.7105000       6.030000      0.7591000      0.6834000E-01   1.040000
  1 1 1     -24  -20   21 o    7.440000      0.4401000       7.443000 0.6020000       7.437000      0.6421000      0.6134000E-02  0.8802000
  1 1 1     -24  -20   22 o    4.203000      0.6829000       3.970000 1.026000       4.437000      0.9016000     -0.4675000       1.366000
  1 1 1     -24  -20   23 f    2.981000      0.7518000       3.223000 1.082000       2.738000       1.044000      0.4846000       1.504000
  1 1 1     -24  -20   24 o    2.615000      0.7197000       2.837000 1.056000       2.392000      0.9776000      0.4448000       1.439000
  1 1 1     -24  -20   25 o    3.495000      0.7051000       2.717000 1.014000       4.272000      0.9804000      -1.555000       1.410000
  1 1 1     -24  -20   26 o    2.762000      0.6765000       2.052000 0.9075000       3.471000       1.004000      -1.419000       1.353000
  1 1 1     -24  -19    1 o    12.11000      0.2639000       12.30000 0.3650000       11.91000      0.3812000      0.3905000      0.5278000
  1 1 1     -24  -19    2 o    7.268000      0.3007000       7.276000 0.4123000       7.260000      0.4378000      0.1593000E-01  0.6014000
  1 1 1     -24  -19    3 o    12.38000      0.2680000       12.12000 0.3806000       12.65000      0.3775000     -0.5383000      0.5361000
  1 1 1     -24  -19    4 f    6.125000      0.3416000       6.336000 0.4770000       5.915000      0.4891000      0.4213000      0.6832000
  1 1 1     -24  -19    5 o    1.609000      0.5163000       1.206000 0.5936000       2.011000      0.8449000     -0.8057000       1.033000
  1 1 1     -24  -19    6 o    13.64000      0.2738000       13.41000 0.3837000       13.88000      0.3908000     -0.4716000      0.5477000
  1 1 1     -24  -19    7 o    11.58000      0.2766000       12.03000 0.3840000       11.13000      0.3981000      0.9016000      0.5531000
  1 1 1     -24  -19    8 o    6.049000      0.3726000       6.653000 0.4704000       5.445000      0.5780000       1.208000      0.7452000
  1 1 1     -24  -19    9 o    4.268000      0.5234000       4.296000 0.7080000       4.240000      0.7712000      0.5637000E-01   1.047000
  1 1 1     -24  -19   10 o    7.951000      0.3202000       7.461000 0.4683000       8.442000      0.4369000     -0.9807000      0.6404000
  1 1 1     -24  -19   11 o    3.432000      0.6200000       3.386000 0.8083000       3.477000      0.9405000     -0.9169000E-01   1.240000
  1 1 1     -24  -19   12 o    7.961000      0.4829000       8.402000 0.7130000       7.520000      0.6515000      0.8821000      0.9658000
  1 1 1     -24  -19   13 f    5.741000      0.6644000       5.877000 0.9806000       5.606000      0.8968000      0.2712000       1.329000
  1 1 1     -24  -19   14 o    5.045000      0.5112000       5.403000 0.6447000       4.686000      0.7935000      0.7171000       1.022000
  1 1 1     -24  -19   15 o    6.872000      0.5906000       5.510000 0.8725000       8.234000      0.7963000      -2.724000       1.181000
  1 1 1     -24  -19   16 o    6.986000      0.5801000       6.024000 0.8120000       7.948000      0.8288000      -1.924000       1.160000
  1 1 1     -24  -19   17 o    9.459000      0.3367000       9.427000 0.4709000       9.491000      0.4814000     -0.6418000E-01  0.6734000
  1 1 1     -24  -19   18 o    6.169000      0.4781000       6.887000 0.5975000       5.452000      0.7466000       1.436000      0.9562000
  1 1 1     -24  -19   19 o    2.841000      0.7358000       2.793000 1.029000       2.889000       1.052000     -0.9593000E-01   1.472000
  1 1 1     -24  -19   20 o    3.102000      0.7410000       3.180000 1.019000       3.024000       1.076000      0.1554000       1.482000
  1 1 1     -24  -19   21 o    9.707000      0.3644000       9.829000 0.5015000       9.585000      0.5289000      0.2436000      0.7288000
  1 1 1     -24  -19   22 o    2.492000      0.7098000       2.123000 0.9450000       2.861000       1.059000     -0.7379000       1.420000
  1 1 1     -24  -19   23 o    3.822000      0.7050000       4.575000 0.9308000       3.069000       1.059000       1.506000       1.410000
  1 1 1     -24  -19   24 o    2.958000      0.6981000       3.673000 1.023000       2.244000      0.9502000       1.430000       1.396000
  1 1 1     -24  -19   25 o    4.254000      0.6597000       3.587000 1.021000       4.922000      0.8350000      -1.335000       1.319000
  1 1 1     -24  -19   26 o    2.916000      0.7048000       2.236000 0.9538000       3.596000       1.038000      -1.360000       1.410000
  1 1 1     -24  -19   27 o    5.232000      0.5359000       4.795000 0.8133000       5.669000      0.6980000     -0.8738000       1.072000
  1 1 1     -24  -18    1 o    22.94000      0.4870000       22.94000 0.4870000                  ?              ?              ?              ?
  1 1 1     -24  -18    2 o    3.760000      0.5099000       3.688000 0.7221000       3.832000      0.7201000     -0.1443000       1.020000
  1 1 1     -24  -18    3 o    3.995000      0.6953000                  ?       ?   3.995000      0.6953000                  ?              ?
  1 1 1     -24  -18    4 f    9.011000      0.2819000       9.045000 0.3915000       8.977000      0.4057000      0.6801000E-01  0.5638000
  1 1 1     -24  -18    5 o    5.948000      0.3575000       5.769000 0.5065000       6.128000      0.5047000     -0.3596000      0.7150000
  1 1 1     -24  -18    6 o    13.38000      0.2719000       13.40000 0.3809000       13.36000      0.3882000      0.4269000E-01  0.5439000
  1 1 1     -24  -18    7 o    2.495000      0.6175000       2.248000 0.8535000       2.741000      0.8928000     -0.4935000       1.235000
  1 1 1     -24  -18    8 o    12.36000      0.2805000       12.29000 0.3916000       12.43000      0.4016000     -0.1367000      0.5610000
  1 1 1     -24  -18    9 o    3.216000      0.5777000       3.552000 0.7347000       2.880000      0.8918000      0.6720000       1.155000
  1 1 1     -24  -18   10 o    3.461000      0.6191000       3.001000 0.9055000       3.922000      0.8444000     -0.9211000       1.238000
  1 1 1     -24  -18   11 o    14.24000      0.2891000       14.54000 0.4075000       13.94000      0.4102000      0.6056000      0.5782000
  1 1 1     -24  -18   12 o    15.02000      0.2978000       15.52000 0.4243000       14.52000      0.4181000      0.9973000      0.5957000
  1 1 1     -24  -18   13 o    5.687000      0.6799000       5.601000 1.038000       5.772000      0.8784000     -0.1712000       1.360000
  1 1 1     -24  -18   14 o    7.886000      0.3587000       8.346000 0.4744000       7.426000      0.5383000      0.9205000      0.7175000
  1 1 1     -24  -18   15 o    8.746000      0.3439000       8.397000 0.4960000       9.094000      0.4766000     -0.6975000      0.6879000
  1 1 1     -24  -18   16 o    8.446000      0.5094000       7.995000 0.6742000       8.897000      0.7638000     -0.9017000       1.019000
  1 1 1     -24  -18   17 o    9.873000      0.4688000       9.757000 0.6072000       9.989000      0.7145000     -0.2324000      0.9376000
  1 1 1     -24  -18   18 o    5.182000      0.5401000       5.864000 0.6588000       4.499000      0.8561000       1.365000       1.080000
  1 1 1     -24  -18   19 o    2.908000      0.7334000       2.923000 1.031000       2.893000       1.043000      0.2978000E-01   1.467000
  1 1 1     -24  -18   20 o    3.978000      0.7167000       3.906000 0.9876000       4.051000       1.039000     -0.1449000       1.433000
  1 1 1     -24  -18   21 o    4.028000      0.6894000       4.927000 0.8511000       3.129000       1.085000       1.798000       1.379000
  1 1 1     -24  -18   22 o    2.422000      0.7056000       2.130000 0.9244000       2.714000       1.066000     -0.5841000       1.411000
  1 1 1     -24  -18   23 o    6.016000      0.5022000       5.578000 0.7815000       6.453000      0.6309000     -0.8755000       1.004000
  1 1 1     -24  -18   24 o    3.898000      0.7016000       3.387000 1.066000       4.409000      0.9121000      -1.021000       1.403000
  1 1 1     -24  -18   25 o    5.473000      0.5524000       4.912000 0.8607000       6.034000      0.6927000      -1.122000       1.105000
  1 1 1     -24  -18   26 o    2.526000      0.7009000       2.570000 0.9909000       2.481000      0.9916000      0.8940000E-01   1.402000
  1 1 1     -24  -18   27 o    3.604000      0.6814000       2.766000 1.019000       4.442000      0.9046000      -1.676000       1.363000
  1 1 1     -24  -17    1 o    9.154000      0.3645000       9.154000 0.3645000                  ?              ?              ?              ?
  1 1 1     -24  -17    2 o    4.874000      0.3973000       4.851000 0.5483000       4.898000      0.5751000     -0.4619000E-01  0.7946000
  1 1 1     -24  -17    3 f    4.586000      0.6654000                  ?       ?   4.586000      0.6654000                  ?              ?
  1 1 1     -24  -17    4 o    17.74000      0.2975000       17.79000 0.4211000       17.70000      0.4202000      0.9139000E-01  0.5949000
  1 1 1     -24  -17    5 o    9.164000      0.2740000       9.143000 0.3738000       9.185000      0.4009000     -0.4225000E-01  0.5481000
  1 1 1     -24  -17    6 o    3.309000      0.5630000       3.651000 0.7568000       2.968000      0.8337000      0.6831000       1.126000
  1 1 1     -24  -17    7 o    2.991000      0.5190000       1.664000 0.7423000       4.319000      0.7256000      -2.655000       1.038000
  1 1 1     -24  -17    8 o    7.561000      0.3175000       7.821000 0.4295000       7.301000      0.4677000      0.5197000      0.6350000
  1 1 1     -24  -17    9 o    3.221000      0.6109000       3.112000 0.8604000       3.330000      0.8674000     -0.2187000       1.222000
  1 1 1     -24  -17   10 o    9.910000      0.2898000       9.850000 0.4045000       9.969000      0.4152000     -0.1196000      0.5796000
  1 1 1     -24  -17   11 o    16.97000      0.3037000       16.77000 0.4265000       17.18000      0.4325000     -0.4114000      0.6075000
  1 1 1     -24  -17   12 o    8.682000      0.3171000       8.699000 0.4422000       8.664000      0.4547000      0.3496000E-01  0.6342000
  1 1 1     -24  -17   13 o    8.809000      0.4714000       8.271000 0.7167000       9.347000      0.6126000      -1.076000      0.9429000
  1 1 1     -24  -17   14 o    7.240000      0.5216000       7.025000 0.7654000       7.454000      0.7088000     -0.4291000       1.043000
  1 1 1     -24  -17   15 o    8.536000      0.3399000       8.613000 0.4767000       8.459000      0.4847000      0.1539000      0.6799000
  1 1 1     -24  -17   16 o    4.067000      0.6322000       5.017000 0.7431000       3.118000       1.023000       1.899000       1.264000
  1 1 1     -24  -17   17 o    3.561000      0.8302000       3.851000 1.095000       3.272000       1.248000      0.5795000       1.660000
  1 1 1     -24  -17   18 o    9.025000      0.3566000       8.625000 0.5167000       9.425000      0.4916000     -0.7999000      0.7132000
  1 1 1     -24  -17   19 o    2.369000      0.6707000       2.137000 0.9094000       2.601000      0.9861000     -0.4635000       1.341000
  1 1 1     -24  -17   20 o    6.212000      0.4661000       5.986000 0.6606000       6.438000      0.6576000     -0.4515000      0.9322000
  1 1 1     -24  -17   21 o    4.048000      0.6937000       3.458000 1.032000       4.638000      0.9267000      -1.180000       1.387000
  1 1 1     -24  -17   22 o    8.385000      0.3873000       8.441000 0.5287000       8.328000      0.5661000      0.1131000      0.7746000
  1 1 1     -24  -17   23 o    5.669000      0.5185000       5.895000 0.7117000       5.444000      0.7541000      0.4513000       1.037000
  1 1 1     -24  -17   24 f    5.563000      0.5291000       5.598000 0.7450000       5.527000      0.7513000      0.7123000E-01   1.058000
  1 1 1     -24  -17   25 o    6.452000      0.4567000       6.932000 0.6143000       5.971000      0.6760000      0.9604000      0.9135000
  1 1 1     -24  -17   26 o    3.843000      0.6777000       4.378000 0.8935000       3.308000       1.019000       1.070000       1.355000
  1 1 1     -24  -17   27 o    2.309000      0.6744000       2.311000 0.9454000       2.307000      0.9621000      0.4415000E-02   1.349000
  1 1 1     -24  -17   28 o    2.356000      0.6871000       2.401000 0.9762000       2.310000      0.9671000      0.9044000E-01   1.374000
  1 1 1     -24  -16    1 o    3.759000      0.5022000       3.802000 0.6789000       3.716000      0.7403000      0.8561000E-01   1.004000
  1 1 1     -24  -16    2 o    2.373000      0.5834000       2.501000 0.7953000       2.245000      0.8536000      0.2558000       1.167000
  1 1 1     -24  -16    3 o    11.43000      0.2601000       10.97000 0.3601000       11.89000      0.3755000     -0.9261000      0.5202000
  1 1 1     -24  -16    4 o    17.32000      0.2920000       17.28000 0.4123000       17.35000      0.4137000     -0.6721000E-01  0.5841000
  1 1 1     -24  -16    5 o    5.751000      0.3607000       6.022000 0.4777000       5.481000      0.5405000      0.5418000      0.7213000
  1 1 1     -24  -16    6 o    13.75000      0.2734000       13.77000 0.3874000       13.74000      0.3858000      0.3657000E-01  0.5468000
  1 1 1     -24  -16    7 o    5.932000      0.3592000       5.984000 0.5090000       5.881000      0.5071000      0.1024000      0.7185000
  1 1 1     -24  -16    8 o    2.216000      0.6058000       1.923000 0.8066000       2.508000      0.9042000     -0.5845000       1.212000
  1 1 1     -24  -16    9 o    6.353000      0.3622000       6.816000 0.4662000       5.890000      0.5544000      0.9256000      0.7244000
  1 1 1     -24  -16   10 o    8.094000      0.3081000       8.223000 0.4392000       7.964000      0.4323000      0.2586000      0.6163000
  1 1 1     -24  -16   11 o    9.626000      0.2990000       9.785000 0.4170000       9.467000      0.4287000      0.3185000      0.5980000
  1 1 1     -24  -16   12 o    4.741000      0.4889000       4.677000 0.6992000       4.804000      0.6834000     -0.1268000      0.9777000
  1 1 1     -24  -16   13 f    4.374000      0.5441000       3.493000 0.8646000       5.256000      0.6608000      -1.764000       1.088000
  1 1 1     -24  -16   14 o    3.187000      0.7863000       3.353000 1.168000       3.021000       1.053000      0.3325000       1.573000
  1 1 1     -24  -16   15 o    6.625000      0.3951000       6.030000 0.5895000       7.220000      0.5262000      -1.190000      0.7902000
  1 1 1     -24  -16   16 o    6.013000      0.4405000       5.849000 0.6301000       6.176000      0.6158000     -0.3277000      0.8810000
  1 1 1     -24  -16   17 f    6.340000      0.6155000       6.114000 0.8298000       6.566000      0.9093000     -0.4513000       1.231000
  1 1 1     -24  -16   18 o    7.215000      0.3739000       6.510000 0.5502000       7.921000      0.5064000      -1.412000      0.7478000
  1 1 1     -24  -16   19 o    4.810000      0.5727000       4.436000 0.8560000       5.185000      0.7611000     -0.7482000       1.145000
  1 1 1     -24  -16   20 o    5.549000      0.5016000       5.469000 0.6926000       5.628000      0.7256000     -0.1589000       1.003000
  1 1 1     -24  -16   21 o    3.008000      0.7146000       2.563000 0.9957000       3.452000       1.025000     -0.8888000       1.429000
  1 1 1     -24  -16   22 o    3.976000      0.6842000       4.286000 0.9156000       3.667000       1.017000      0.6196000       1.368000
  1 1 1     -24  -16   23 o    2.919000      0.7285000       3.379000 1.056000       2.459000       1.004000      0.9201000       1.457000
  1 1 1     -24  -16   24 o    2.331000      0.6426000       3.192000 1.065000       1.470000      0.7198000       1.722000       1.285000
  1 1 1     -24  -16   25 o    3.562000      0.7161000       3.305000 1.037000       3.818000      0.9874000     -0.5135000       1.432000
  1 1 1     -24  -16   26 o    5.386000      0.5423000       5.330000 0.7868000       5.442000      0.7465000     -0.1122000       1.085000
  1 1 1     -24  -16   27 o    2.489000      0.6900000       2.906000 1.032000       2.072000      0.9159000      0.8340000       1.380000
  1 1 1     -24  -16   28 o    3.140000      0.6462000       4.164000 0.9208000       2.116000      0.9069000       2.048000       1.292000
  1 1 1     -24  -15    1 o    7.400000      0.2983000       7.285000 0.4076000       7.515000      0.4357000     -0.2299000      0.5967000
  1 1 1     -24  -15    2 o    4.076000      0.4832000       4.595000 0.5638000       3.557000      0.7849000       1.038000      0.9664000
  1 1 1     -24  -15    3 o    5.429000      0.3664000       5.201000 0.5133000       5.657000      0.5229000     -0.4557000      0.7328000
  1 1 1     -24  -15    4 o    3.027000      0.5510000       2.147000 0.8197000       3.907000      0.7365000      -1.760000       1.102000
  1 1 1     -24  -15    5 o    6.131000      0.3399000       5.976000 0.4750000       6.285000      0.4863000     -0.3087000      0.6798000
  1 1 1     -24  -15    6 o    5.224000      0.3963000       5.748000 0.4919000       4.700000      0.6215000       1.048000      0.7926000
  1 1 1     -24  -15    7 o    12.60000      0.2706000       12.32000 0.3826000       12.88000      0.3827000     -0.5621000      0.5411000
  1 1 1     -24  -15    8 o    6.923000      0.3246000       7.209000 0.4349000       6.638000      0.4819000      0.5711000      0.6491000
  1 1 1     -24  -15    9 o    7.991000      0.3893000       7.869000 0.4315000       8.113000      0.6482000     -0.2438000      0.7787000
  1 1 1     -24  -15   10 o    6.348000      0.3606000       6.210000 0.5186000       6.486000      0.5012000     -0.2765000      0.7212000
  1 1 1     -24  -15   11 o    2.452000      0.5923000       3.040000 0.8539000       1.865000      0.8212000       1.175000       1.185000
  1 1 1     -24  -15   12 o    2.436000      0.6011000       1.843000 0.8012000       3.030000      0.8962000      -1.187000       1.202000
  1 1 1     -24  -15   13 o    3.366000      0.5827000       2.508000 0.9072000       4.224000      0.7317000      -1.716000       1.165000
  1 1 1     -24  -15   14 o    8.846000      0.4506000       8.851000 0.6601000       8.840000      0.6135000      0.1021000E-01  0.9012000
  1 1 1     -24  -15   15 o    6.226000      0.5856000       7.208000 0.7577000       5.243000      0.8931000       1.965000       1.171000
  1 1 1     -24  -15   16 o    7.140000      0.3807000       7.095000 0.5244000       7.185000      0.5519000     -0.8956000E-01  0.7613000
  1 1 1     -24  -15   17 o    4.787000      0.4546000       4.701000 0.6411000       4.874000      0.6447000     -0.1722000      0.9092000
  1 1 1     -24  -15   18 o    3.420000      0.8359000       3.545000 1.133000       3.295000       1.230000      0.2503000       1.672000
  1 1 1     -24  -15   19 o    15.48000      0.3167000       16.07000 0.4465000       14.88000      0.4494000       1.192000      0.6335000
  1 1 1     -24  -15   20 o    8.766000      0.3712000       8.476000 0.5232000       9.057000      0.5267000     -0.5812000      0.7424000
  1 1 1     -24  -15   21 o    4.977000      0.5822000       4.617000 0.8750000       5.337000      0.7683000     -0.7200000       1.164000
  1 1 1     -24  -15   22 o    4.490000      0.6328000       4.539000 0.8771000       4.440000      0.9125000      0.9904000E-01   1.266000
  1 1 1     -24  -15   23 o    7.154000      0.4426000       6.871000 0.6463000       7.437000      0.6049000     -0.5660000      0.8852000
  1 1 1     -24  -15   24 o    2.472000      0.7018000       2.252000 0.9622000       2.693000       1.022000     -0.4407000       1.404000
  1 1 1     -24  -15   25 o    2.154000      0.6575000       2.195000 0.9443000       2.112000      0.9152000      0.8282000E-01   1.315000
  1 1 1     -24  -15   26 o    4.368000      0.6433000       4.178000 0.9494000       4.558000      0.8684000     -0.3797000       1.287000
  1 1 1     -24  -15   27 o    2.789000      0.7141000       3.132000 1.038000       2.446000      0.9814000      0.6859000       1.428000
  1 1 1     -24  -15   28 o    4.217000      0.6478000       4.636000 0.8555000       3.798000      0.9730000      0.8383000       1.296000
  1 1 1     -24  -14    1 o    6.721000      0.4117000       6.203000 0.5565000       7.240000      0.6069000      -1.036000      0.8235000
  1 1 1     -24  -14    2 o    8.585000      0.2685000       8.775000 0.3722000       8.396000      0.3871000      0.3794000      0.5369000
  1 1 1     -24  -14    3 o    11.35000      0.2637000       11.18000 0.3665000       11.51000      0.3792000     -0.3363000      0.5274000
  1 1 1     -24  -14    4 o    2.722000      0.5919000       2.556000 0.7853000       2.888000      0.8859000     -0.3312000       1.184000
  1 1 1     -24  -14    5 o    8.932000      0.2762000       9.106000 0.3846000       8.759000      0.3966000      0.3464000      0.5525000
  1 1 1     -24  -14    6 o    11.30000      0.2644000       11.14000 0.3722000       11.45000      0.3755000     -0.3062000      0.5287000
  1 1 1     -24  -14    7 o    10.43000      0.2681000       10.47000 0.3792000       10.39000      0.3791000      0.8479000E-01  0.5362000
  1 1 1     -24  -14    8 o    9.944000      0.2728000       9.830000 0.3808000       10.06000      0.3906000     -0.2289000      0.5455000
  1 1 1     -24  -14    9 o    9.883000      0.2779000       10.03000 0.3885000       9.740000      0.3973000      0.2866000      0.5557000
  1 1 1     -24  -14   10 o    12.54000      0.2763000       13.04000 0.3892000       12.04000      0.3924000       1.003000      0.5527000
  1 1 1     -24  -14   11 o    2.738000      0.6129000       2.322000 0.8622000       3.155000      0.8712000     -0.8336000       1.226000
  1 1 1     -24  -14   12 o    12.78000      0.2852000       12.73000 0.4044000       12.83000      0.4024000     -0.9916000E-01  0.5705000
  1 1 1     -24  -14   13 o    7.012000      0.3551000       7.054000 0.4937000       6.970000      0.5105000      0.8404000E-01  0.7102000
  1 1 1     -24  -14   14 o    6.595000      0.3740000       6.856000 0.5044000       6.334000      0.5523000      0.5221000      0.7480000
  1 1 1     -24  -14   15 o    7.567000      0.4936000       7.619000 0.7152000       7.516000      0.6806000      0.1032000      0.9873000
  1 1 1     -24  -14   16 o    4.267000      0.5756000       4.225000 0.8110000       4.309000      0.8171000     -0.8417000E-01   1.151000
  1 1 1     -24  -14   17 o    10.44000      0.3247000       10.97000 0.4437000       9.905000      0.4741000       1.062000      0.6494000
  1 1 1     -24  -14   18 o    7.901000      0.5317000       7.240000 0.7426000       8.562000      0.7613000      -1.322000       1.063000
  1 1 1     -24  -14   19 f    13.25000      0.3175000       13.16000 0.4497000       13.33000      0.4482000     -0.1666000      0.6349000
  1 1 1     -24  -14   20 o    5.034000      0.5907000       5.983000 0.6639000       4.086000      0.9772000       1.897000       1.181000
  1 1 1     -24  -14   21 o    3.305000      0.7061000       3.872000 0.9813000       2.737000       1.016000       1.134000       1.412000
  1 1 1     -24  -14   22 o    5.890000      0.5277000       4.969000 0.8523000       6.811000      0.6224000      -1.841000       1.055000
  1 1 1     -24  -14   23 o    3.220000      0.7468000       3.483000 1.064000       2.957000       1.049000      0.5260000       1.494000
  1 1 1     -24  -14   24 o    3.422000      0.7333000       4.088000 1.033000       2.755000       1.041000       1.333000       1.467000
  1 1 1     -24  -14   25 f    1.978000      0.6306000       1.876000 0.8665000       2.080000      0.9164000     -0.2037000       1.261000
  1 1 1     -24  -14   26 o    3.029000      0.7058000       2.402000 0.9974000       3.657000      0.9989000      -1.255000       1.412000
  1 1 1     -24  -14   27 o    4.026000      0.6655000       5.010000 0.8482000       3.041000       1.026000       1.969000       1.331000
  1 1 1     -24  -14   28 o    4.226000      0.6313000       4.419000 0.8703000       4.033000      0.9148000      0.3858000       1.263000
  1 1 1     -24  -13    1 o    18.71000      0.4214000       18.17000 0.5760000       19.25000      0.6151000      -1.076000      0.8427000
  1 1 1     -24  -13    2 o    10.31000      0.3605000       10.31000 0.3605000                  ?              ?              ?              ?
  1 1 1     -24  -13    3 o    3.430000      0.5221000       3.062000 0.7575000       3.799000      0.7187000     -0.7369000       1.044000
  1 1 1     -24  -13    4 o    3.594000      0.7741000                  ?       ?   3.594000      0.7741000                  ?              ?
  1 1 1     -24  -13    5 o    12.84000      0.2657000       12.79000 0.3743000       12.89000      0.3772000     -0.1013000      0.5314000
  1 1 1     -24  -13    6 o    2.069000      0.5702000       1.735000 0.7514000       2.402000      0.8578000     -0.6671000       1.140000
  1 1 1     -24  -13    7 o    1.999000      0.5501000       1.482000 0.6878000       2.515000      0.8588000      -1.032000       1.100000
  1 1 1     -24  -13    8 o    6.100000      0.3506000       6.255000 0.4679000       5.945000      0.5222000      0.3101000      0.7012000
  1 1 1     -24  -13    9 o    6.179000      0.3469000       6.239000 0.4666000       6.119000      0.5134000      0.1197000      0.6938000
  1 1 1     -24  -13   10 o    10.61000      0.2766000       10.77000 0.3896000       10.44000      0.3927000      0.3292000      0.5532000
  1 1 1     -24  -13   11 o    9.965000      0.2787000       9.809000 0.3948000       10.12000      0.3934000     -0.3106000      0.5574000
  1 1 1     -24  -13   12 o    12.01000      0.2810000       12.23000 0.3957000       11.79000      0.3989000      0.4398000      0.5619000
  1 1 1     -24  -13   13 o    9.793000      0.2964000       10.39000 0.4088000       9.193000      0.4292000       1.200000      0.5928000
  1 1 1     -24  -13   14 o    12.08000      0.2884000       12.12000 0.4034000       12.04000      0.4124000      0.7658000E-01  0.5769000
  1 1 1     -24  -13   15 o    9.865000      0.4345000       10.25000 0.6236000       9.483000      0.6053000      0.7647000      0.8691000
  1 1 1     -24  -13   16 o    8.146000      0.3402000       7.990000 0.4827000       8.302000      0.4795000     -0.3115000      0.6804000
  1 1 1     -24  -13   17 o    10.17000      0.3188000       10.13000 0.4375000       10.20000      0.4638000     -0.7650000E-01  0.6376000
  1 1 1     -24  -13   18 o    13.70000      0.4395000       13.70000 0.5864000       13.70000      0.6547000      0.3090000E-02  0.8789000
  1 1 1     -24  -13   19 o    7.340000      0.4028000       7.577000 0.5521000       7.103000      0.5867000      0.4741000      0.8056000
  1 1 1     -24  -13   20 o    3.453000      0.7064000       3.442000 0.9961000       3.464000       1.002000     -0.2234000E-01   1.413000
  1 1 1     -24  -13   21 o    3.038000      0.6460000       1.952000 0.8812000       4.124000      0.9450000      -2.173000       1.292000
  1 1 1     -24  -13   22 o    7.959000      0.4048000       8.114000 0.5590000       7.803000      0.5855000      0.3115000      0.8095000
  1 1 1     -24  -13   23 o    8.985000      0.3726000       8.663000 0.5392000       9.308000      0.5144000     -0.6450000      0.7452000
  1 1 1     -24  -13   24 o    2.715000      0.7281000       2.467000 1.005000       2.963000       1.054000     -0.4961000       1.456000
  1 1 1     -24  -13   25 o    5.784000      0.5351000       4.833000 0.8653000       6.735000      0.6299000      -1.902000       1.070000
  1 1 1     -24  -13   26 o    1.884000      0.6131000       1.866000 0.8682000       1.903000      0.8661000     -0.3724000E-01   1.226000
  1 1 1     -24  -13   27 o    6.429000      0.4553000       6.527000 0.6510000       6.330000      0.6367000      0.1975000      0.9106000
  1 1 1     -24  -13   28 o    5.349000      0.5415000       4.536000 0.8683000       6.161000      0.6472000      -1.625000       1.083000
  1 1 1     -24  -12    1 o    11.82000      0.3547000       12.41000 0.4825000       11.23000      0.5201000       1.178000      0.7094000
  1 1 1     -24  -12    2 o    14.39000      0.5221000       14.39000 0.5221000                  ?              ?              ?              ?
  1 1 1     -24  -12    3 o    7.775000      0.2885000       7.447000 0.4057000       8.103000      0.4104000     -0.6557000      0.5770000
  1 1 1     -24  -12    4 o    6.340000      0.4681000                  ?       ?   6.340000      0.4681000                  ?              ?
  1 1 1     -24  -12    5 o    11.63000      0.2634000       11.66000 0.3682000       11.60000      0.3768000      0.5911000E-01  0.5268000
  1 1 1     -24  -12    6 o    18.29000      0.3016000       18.28000 0.4260000       18.30000      0.4271000     -0.1716000E-01  0.6032000
  1 1 1     -24  -12    7 f    9.705000      0.2715000       9.925000 0.3783000       9.485000      0.3896000      0.4399000      0.5430000
  1 1 1     -24  -12    8 o    5.140000      0.3865000       5.099000 0.5352000       5.180000      0.5578000     -0.8128000E-01  0.7731000
  1 1 1     -24  -12    9 o    2.594000      0.6043000       2.518000 0.8386000       2.671000      0.8704000     -0.1536000       1.209000
  1 1 1     -24  -12   10 o    6.851000      0.3274000       7.025000 0.4490000       6.677000      0.4766000      0.3486000      0.6548000
  1 1 1     -24  -12   11 o    12.44000      0.2734000       12.00000 0.3851000       12.87000      0.3883000     -0.8672000      0.5469000
  1 1 1     -24  -12   12 o    15.58000      0.2930000       15.39000 0.4100000       15.76000      0.4187000     -0.3700000      0.5860000
  1 1 1     -24  -12   13 o    14.46000      0.2915000       14.21000 0.4134000       14.72000      0.4110000     -0.5026000      0.5829000
  1 1 1     -24  -12   14 o    10.86000      0.2933000       10.48000 0.4154000       11.23000      0.4141000     -0.7511000      0.5865000
  1 1 1     -24  -12   15 o    10.05000      0.4284000       10.79000 0.6182000       9.304000      0.5931000       1.490000      0.8567000
  1 1 1     -24  -12   16 o    9.540000      0.4436000       9.687000 0.6447000       9.393000      0.6096000      0.2943000      0.8873000
  1 1 1     -24  -12   17 o    7.607000      0.3663000       7.547000 0.5152000       7.668000      0.5207000     -0.1214000      0.7325000
  1 1 1     -24  -12   18 o    17.54000      0.4547000       17.20000 0.6238000       17.88000      0.6616000     -0.6769000      0.9093000
  1 1 1     -24  -12   19 o    7.326000      0.5705000       8.094000 0.6955000       6.559000      0.9046000       1.536000       1.141000
  1 1 1     -24  -12   20 o    3.479000      0.6658000       2.680000 0.9912000       4.277000      0.8893000      -1.596000       1.332000
  1 1 1     -24  -12   21 o    5.031000      0.5875000       5.718000 0.7243000       4.345000      0.9252000       1.373000       1.175000
  1 1 1     -24  -12   22 o    7.732000      0.3973000       7.855000 0.5598000       7.608000      0.5640000      0.2471000      0.7947000
  1 1 1     -24  -12   23 o    8.225000      0.3870000       8.443000 0.5345000       8.006000      0.5599000      0.4370000      0.7741000
  1 1 1     -24  -12   24 o    6.300000      0.4891000       7.168000 0.6092000       5.432000      0.7654000       1.736000      0.9782000
  1 1 1     -24  -12   25 o    8.046000      0.3916000       7.893000 0.5590000       8.198000      0.5487000     -0.3054000      0.7833000
  1 1 1     -24  -12   26 o    3.833000      0.6891000       3.228000 1.056000       4.438000      0.8862000      -1.210000       1.378000
  1 1 1     -24  -12   27 o    7.257000      0.4113000       7.625000 0.5895000       6.889000      0.5736000      0.7354000      0.8226000
  1 1 1     -24  -12   28 o    2.571000      0.7007000       2.717000 1.019000       2.425000      0.9618000      0.2912000       1.401000
  1 1 1     -24  -12   29 o    6.422000      0.4632000       5.518000 0.7264000       7.326000      0.5748000      -1.808000      0.9263000
  1 1 1     -24  -11    1 o    8.366000      0.2584000       8.486000 0.3550000       8.247000      0.3755000      0.2388000      0.5167000
  1 1 1     -24  -11    2 o    17.19000      0.4070000       17.71000 0.5715000       16.67000      0.5798000       1.036000      0.8141000
  1 1 1     -24  -11    3 o    11.48000      0.2592000       11.32000 0.3591000       11.64000      0.3738000     -0.3133000      0.5183000
  1 1 1     -24  -11    4 f    7.257000      0.3026000       7.163000 0.4225000       7.352000      0.4333000     -0.1888000      0.6052000
  1 1 1     -24  -11    5 o    10.05000      0.2623000       9.938000 0.3672000       10.15000      0.3746000     -0.2148000      0.5246000
  1 1 1     -24  -11    6 o    10.51000      0.2620000       10.61000 0.3644000       10.42000      0.3766000      0.1950000      0.5240000
  1 1 1     -24  -11    7 o    2.667000      0.5975000       2.626000 0.8271000       2.707000      0.8625000     -0.8084000E-01   1.195000
  1 1 1     -24  -11    8 o    10.99000      0.2702000       11.03000 0.3802000       10.94000      0.3839000      0.8794000E-01  0.5403000
  1 1 1     -24  -11    9 o    9.540000      0.2743000       9.871000 0.3804000       9.210000      0.3953000      0.6608000      0.5486000
  1 1 1     -24  -11   10 o    8.798000      0.2878000       8.914000 0.4039000       8.683000      0.4101000      0.2310000      0.5756000
  1 1 1     -24  -11   11 o    10.04000      0.2797000       10.40000 0.3910000       9.678000      0.4001000      0.7211000      0.5594000
  1 1 1     -24  -11   12 o    4.943000      0.4507000       4.944000 0.6223000       4.941000      0.6520000      0.3196000E-02  0.9013000
  1 1 1     -24  -11   13 o    12.09000      0.2838000       12.11000 0.4049000       12.07000      0.3979000      0.3396000E-01  0.5677000
  1 1 1     -24  -11   14 o    8.506000      0.3130000       8.505000 0.4367000       8.507000      0.4486000     -0.2385000E-02  0.6261000
  1 1 1     -24  -11   15 o    10.94000      0.4141000       10.84000 0.6061000       11.04000      0.5644000     -0.1987000      0.8282000
  1 1 1     -24  -11   16 o    8.713000      0.4584000       9.064000 0.6548000       8.362000      0.6417000      0.7026000      0.9168000
  1 1 1     -24  -11   17 o    10.92000      0.3087000       10.91000 0.4296000       10.92000      0.4436000     -0.7566000E-02  0.6175000
  1 1 1     -24  -11   18 o    7.852000      0.5144000       7.837000 0.6890000       7.867000      0.7641000     -0.2934000E-01   1.029000
  1 1 1     -24  -11   19 o    20.48000      0.4906000       19.98000 0.6742000       20.98000      0.7128000     -0.9974000      0.9811000
  1 1 1     -24  -11   20 o    6.571000      0.4263000       6.407000 0.6151000       6.734000      0.5904000     -0.3275000      0.8526000
  1 1 1     -24  -11   21 o    4.647000      0.6191000       4.927000 0.8143000       4.367000      0.9327000      0.5604000       1.238000
  1 1 1     -24  -11   22 o    5.845000      0.4966000       6.045000 0.6737000       5.644000      0.7298000      0.4009000      0.9932000
  1 1 1     -24  -11   23 o    4.356000      0.6324000       5.003000 0.7739000       3.708000       1.000000       1.295000       1.265000
  1 1 1     -24  -11   24 o    6.542000      0.4472000       6.174000 0.6651000       6.909000      0.5979000     -0.7359000      0.8944000
  1 1 1     -24  -11   25 o    3.128000      0.6852000       2.377000 0.9771000       3.879000      0.9610000      -1.502000       1.370000
  1 1 1     -24  -11   26 o    7.834000      0.3993000       8.076000 0.5533000       7.591000      0.5759000      0.4848000      0.7987000
  1 1 1     -24  -11   27 o    3.660000      0.6986000       3.632000 1.028000       3.689000      0.9466000     -0.5655000E-01   1.397000
  1 1 1     -24  -11   28 o    3.553000      0.6366000       4.765000 0.8487000       2.340000      0.9491000       2.425000       1.273000
  1 1 1     -24  -11   29 o    4.992000      0.5735000       5.369000 0.7398000       4.615000      0.8764000      0.7532000       1.147000
  1 1 1     -24  -10    1 o    5.852000      0.3264000       5.454000 0.4739000       6.250000      0.4488000     -0.7951000      0.6527000
  1 1 1     -24  -10    2 o    25.08000      0.5202000       25.44000 0.7405000       24.72000      0.7308000      0.7234000       1.040000
  1 1 1     -24  -10    3 o    9.869000      0.2626000       10.13000 0.3622000       9.613000      0.3804000      0.5129000      0.5253000
  1 1 1     -24  -10    4 o    4.552000      0.4122000       4.788000 0.5620000       4.317000      0.6032000      0.4705000      0.8244000
  1 1 1     -24  -10    5 o    6.696000      0.3126000       6.502000 0.4494000       6.891000      0.4347000     -0.3892000      0.6252000
  1 1 1     -24  -10    6 o    4.826000      0.4047000       5.271000 0.5196000       4.382000      0.6206000      0.8894000      0.8094000
  1 1 1     -24  -10    7 o    4.342000      0.4429000       3.659000 0.7052000       5.025000      0.5360000      -1.366000      0.8858000
  1 1 1     -24  -10    8 o    13.63000      0.2713000       13.66000 0.3796000       13.59000      0.3876000      0.6512000E-01  0.5425000
  1 1 1     -24  -10    9 o    14.44000      0.2747000       14.62000 0.3884000       14.26000      0.3885000      0.3570000      0.5494000
  1 1 1     -24  -10   10 o    2.754000      0.5988000       3.047000 0.8385000       2.461000      0.8550000      0.5856000       1.198000
  1 1 1     -24  -10   11 o    5.265000      0.3994000       4.827000 0.6004000       5.703000      0.5270000     -0.8759000      0.7989000
  1 1 1     -24  -10   12 o    12.92000      0.2788000       13.10000 0.3925000       12.74000      0.3960000      0.3595000      0.5575000
  1 1 1     -24  -10   13 o    2.344000      0.6295000       2.383000 0.8901000       2.305000      0.8904000      0.7760000E-01   1.259000
  1 1 1     -24  -10   14 o    5.848000      0.4025000       5.873000 0.5695000       5.823000      0.5688000      0.5071000E-01  0.8049000
  1 1 1     -24  -10   15 o    7.980000      0.4681000       8.078000 0.6645000       7.882000      0.6594000      0.1957000      0.9362000
  1 1 1     -24  -10   16 o    12.28000      0.4074000       12.40000 0.5874000       12.15000      0.5648000      0.2514000      0.8149000
  1 1 1     -24  -10   17 o    5.999000      0.4512000       7.011000 0.5300000       4.988000      0.7303000       2.023000      0.9023000
  1 1 1     -24  -10   18 o    4.181000      0.8183000       3.874000 1.152000       4.487000       1.163000     -0.6136000       1.637000
  1 1 1     -24  -10   19 o    19.85000      0.4840000       19.96000 0.6767000       19.75000      0.6922000      0.2045000      0.9680000
  1 1 1     -24  -10   20 o    5.949000      0.4573000       5.793000 0.6631000       6.104000      0.6299000     -0.3113000      0.9145000
  1 1 1     -24  -10   21 o    5.986000      0.5000000       5.471000 0.7737000       6.502000      0.6336000      -1.031000       1.000000
  1 1 1     -24  -10   22 o    7.523000      0.4076000       7.665000 0.5710000       7.381000      0.5817000      0.2841000      0.8151000
  1 1 1     -24  -10   23 o    7.045000      0.4442000       6.193000 0.6779000       7.897000      0.5742000      -1.703000      0.8884000
  1 1 1     -24  -10   24 o    2.597000      0.7110000       2.575000 1.010000       2.619000       1.001000     -0.4384000E-01   1.422000
  1 1 1     -24  -10   25 o    5.767000      0.4984000       6.245000 0.6666000       5.289000      0.7411000      0.9558000      0.9967000
  1 1 1     -24  -10   26 o    5.904000      0.4763000       5.463000 0.7231000       6.346000      0.6203000     -0.8825000      0.9527000
  1 1 1     -24  -10   27 o    2.630000      0.6894000       2.217000 0.9540000       3.043000      0.9954000     -0.8256000       1.379000
  1 1 1     -24  -10   28 o    4.445000      0.6247000       4.138000 0.9649000       4.751000      0.7938000     -0.6132000       1.249000
  1 1 1     -24  -10   29 o    2.615000      0.6234000       1.720000 0.8033000       3.510000      0.9535000      -1.789000       1.247000
  1 1 1     -24   -9    1 o    8.620000      0.2587000       8.485000 0.3582000       8.755000      0.3734000     -0.2699000      0.5175000
  1 1 1     -24   -9    2 o    17.43000      0.4054000       17.57000 0.5699000       17.28000      0.5767000      0.2843000      0.8108000
  1 1 1     -24   -9    3 o    4.816000      0.5276000       4.816000 0.5276000                  ?              ?              ?              ?
  1 1 1     -24   -9    4 o    9.361000      0.2643000       9.592000 0.3695000       9.130000      0.3781000      0.4619000      0.5287000
  1 1 1     -24   -9    5 o    3.181000      0.8251000                  ?       ?   3.181000      0.8251000                  ?              ?
  1 1 1     -24   -9    6 o    5.938000      0.3363000       5.726000 0.4822000       6.150000      0.4690000     -0.4245000      0.6727000
  1 1 1     -24   -9    7 o    3.672000      0.5309000       3.801000 0.7117000       3.543000      0.7881000      0.2574000       1.062000
  1 1 1     -24   -9    8 o    11.09000      0.2651000       11.33000 0.3722000       10.85000      0.3776000      0.4884000      0.5302000
  1 1 1     -24   -9    9 o    12.92000      0.2707000       12.96000 0.3774000       12.88000      0.3881000      0.7733000E-01  0.5413000
  1 1 1     -24   -9   10 o    12.23000      0.2717000       12.22000 0.3852000       12.24000      0.3832000     -0.1766000E-01  0.5433000
  1 1 1     -24   -9   11 o    8.830000      0.2885000       8.914000 0.4088000       8.747000      0.4071000      0.1670000      0.5769000
  1 1 1     -24   -9   12 o    4.147000      0.5122000       4.906000 0.6113000       3.389000      0.8219000       1.517000       1.024000
  1 1 1     -24   -9   13 f    11.69000      0.2826000       11.91000 0.4047000       11.47000      0.3944000      0.4400000      0.5651000
  1 1 1     -24   -9   14 o    2.804000      0.6365000       3.180000 0.8976000       2.428000      0.9027000      0.7515000       1.273000
  1 1 1     -24   -9   15 o    7.827000      0.4616000       7.454000 0.6935000       8.199000      0.6096000     -0.7442000      0.9233000
  1 1 1     -24   -9   16 o    7.569000      0.5056000       7.293000 0.7591000       7.845000      0.6679000     -0.5523000       1.011000
  1 1 1     -24   -9   17 o    8.056000      0.3397000       7.914000 0.4849000       8.198000      0.4758000     -0.2838000      0.6793000
  1 1 1     -24   -9   18 o    7.446000      0.5451000       8.054000 0.7113000       6.838000      0.8262000       1.216000       1.090000
  1 1 1     -24   -9   19 o    10.43000      0.4553000       10.84000 0.6253000       10.03000      0.6619000      0.8121000      0.9106000
  1 1 1     -24   -9   20 o    3.636000      0.6481000       3.386000 0.9677000       3.885000      0.8625000     -0.4992000       1.296000
  1 1 1     -24   -9   21 o    9.537000      0.3437000       9.738000 0.4837000       9.337000      0.4885000      0.4011000      0.6874000
  1 1 1     -24   -9   22 o    10.76000      0.3286000       10.09000 0.4769000       11.43000      0.4520000      -1.343000      0.6571000
  1 1 1     -24   -9   23 o    5.713000      0.5100000       5.833000 0.7053000       5.594000      0.7368000      0.2390000       1.020000
  1 1 1     -24   -9   24 o    2.734000      0.7169000       2.697000 1.021000       2.772000       1.007000     -0.7516000E-01   1.434000
  1 1 1     -24   -9   25 o    6.234000      0.4685000       6.930000 0.6181000       5.537000      0.7043000       1.393000      0.9371000
  1 1 1     -24   -9   26 o    3.012000      0.6822000       2.315000 0.9614000       3.708000      0.9683000      -1.393000       1.364000
  1 1 1     -24   -9   27 o    2.281000      0.6605000       2.645000 1.006000       1.917000      0.8562000      0.7284000       1.321000
  1 1 1     -24   -9   28 o    2.815000      0.6948000       2.484000 0.9729000       3.146000      0.9923000     -0.6622000       1.390000
  1 1 1     -24   -9   29 o    2.865000      0.6878000       3.416000 0.9981000       2.313000      0.9465000       1.103000       1.376000
  1 1 1     -24   -8    1 o    11.11000      0.2518000       11.37000 0.3532000       10.85000      0.3588000      0.5210000      0.5035000
  1 1 1     -24   -8    2 o    11.25000      0.3565000       11.93000 0.4932000       10.57000      0.5148000       1.357000      0.7129000
  1 1 1     -24   -8    3 o    7.561000      0.3894000       7.561000 0.3894000                  ?              ?              ?              ?
  1 1 1     -24   -8    4 o    11.25000      0.2565000       11.10000 0.3609000       11.41000      0.3644000     -0.3102000      0.5129000
  1 1 1     -24   -8    5 o    14.48000      0.3840000                  ?       ?   14.48000      0.3840000                  ?              ?
  1 1 1     -24   -8    6 o    10.98000      0.2623000       11.20000 0.3687000       10.75000      0.3731000      0.4525000      0.5246000
  1 1 1     -24   -8    7 o    4.132000      0.4825000       3.264000 0.8023000       4.999000      0.5364000      -1.735000      0.9651000
  1 1 1     -24   -8    8 o    15.75000      0.2816000       16.05000 0.4011000       15.45000      0.3954000      0.5992000      0.5632000
  1 1 1     -24   -8    9 o    16.25000      0.2857000       16.28000 0.4009000       16.22000      0.4072000      0.6038000E-01  0.5714000
  1 1 1     -24   -8   10 o    26.37000      0.3887000       26.50000 0.5512000       26.24000      0.5480000      0.2636000      0.7773000
  1 1 1     -24   -8   11 o    10.67000      0.2717000       10.80000 0.3828000       10.53000      0.3857000      0.2700000      0.5434000
  1 1 1     -24   -8   12 o    13.94000      0.2769000       13.47000 0.3911000       14.41000      0.3921000     -0.9345000      0.5538000
  1 1 1     -24   -8   13 o    16.00000      0.2944000       16.31000 0.4200000       15.69000      0.4127000      0.6176000      0.5888000
  1 1 1     -24   -8   14 o    8.866000      0.3022000       8.863000 0.4279000       8.870000      0.4267000     -0.6813000E-02  0.6043000
  1 1 1     -24   -8   15 o    10.44000      0.4049000       10.41000 0.5886000       10.47000      0.5563000     -0.5923000E-01  0.8099000
  1 1 1     -24   -8   16 o    9.500000      0.4248000       9.356000 0.6170000       9.644000      0.5840000     -0.2879000      0.8495000
  1 1 1     -24   -8   17 o    2.355000      0.6332000       1.973000 0.8532000       2.738000      0.9358000     -0.7648000       1.266000
  1 1 1     -24   -8   18 o    8.071000      0.5028000       8.108000 0.6842000       8.035000      0.7369000      0.7279000E-01   1.006000
  1 1 1     -24   -8   19 o    6.821000      0.3992000       6.631000 0.5870000       7.011000      0.5411000     -0.3805000      0.7984000
  1 1 1     -24   -8   20 o    6.243000      0.4297000       6.136000 0.6113000       6.351000      0.6041000     -0.2153000      0.8594000
  1 1 1     -24   -8   21 o    5.363000      0.5123000       5.478000 0.7160000       5.249000      0.7328000      0.2296000       1.025000
  1 1 1     -24   -8   22 o    7.003000      0.4213000       6.774000 0.6197000       7.233000      0.5708000     -0.4582000      0.8425000
  1 1 1     -24   -8   23 o    7.525000      0.4116000       8.273000 0.5346000       6.776000      0.6260000       1.496000      0.8232000
  1 1 1     -24   -8   24 o    1.943000      0.6120000       1.797000 0.8275000       2.090000      0.9019000     -0.2930000       1.224000
  1 1 1     -24   -8   25 o    5.600000      0.5001000       5.736000 0.7029000       5.464000      0.7117000      0.2711000       1.000000
  1 1 1     -24   -8   26 o    3.086000      0.6720000       3.775000 0.9479000       2.398000      0.9528000       1.377000       1.344000
  1 1 1     -24   -8   27 f    3.162000      0.6193000       2.140000 0.9130000       4.184000      0.8369000      -2.044000       1.239000
  1 1 1     -24   -8   28 o    2.964000      0.6944000       3.303000 1.005000       2.625000      0.9585000      0.6781000       1.389000
  1 1 1     -24   -8   29 o    2.585000      0.7142000       2.407000 1.001000       2.763000       1.019000     -0.3555000       1.428000
  1 1 1     -24   -7    1 o    13.27000      0.2537000       13.31000 0.3578000       13.24000      0.3597000      0.7690000E-01  0.5074000
  1 1 1     -24   -7    2 o    6.068000      0.4345000       5.885000 0.6244000       6.251000      0.6045000     -0.3662000      0.8691000
  1 1 1     -24   -7    3 o    6.502000      0.3008000       6.603000 0.4118000       6.400000      0.4385000      0.2025000      0.6015000
  1 1 1     -24   -7    4 o    4.047000      0.4457000       3.600000 0.6749000       4.494000      0.5823000     -0.8939000      0.8914000
  1 1 1     -24   -7    5 o    14.67000      0.2697000       14.71000 0.3818000       14.62000      0.3810000      0.8609000E-01  0.5394000
  1 1 1     -24   -7    6 o    5.895000      0.3943000       6.309000 0.6220000       5.482000      0.4848000      0.8274000      0.7886000
  1 1 1     -24   -7    7 o    7.773000      0.2861000       7.650000 0.4165000       7.895000      0.3925000     -0.2443000      0.5723000
  1 1 1     -24   -7    8 o    6.306000      0.3230000       6.458000 0.4477000       6.155000      0.4658000      0.3023000      0.6461000
  1 1 1     -24   -7    9 o    19.01000      0.3086000       18.90000 0.4334000       19.12000      0.4395000     -0.2195000      0.6173000
  1 1 1     -24   -7   10 o    22.74000      0.3475000       22.74000 0.4904000       22.74000      0.4925000     -0.2728000E-02  0.6950000
  1 1 1     -24   -7   11 o    4.622000      0.4417000       4.044000 0.7037000       5.200000      0.5340000      -1.156000      0.8833000
  1 1 1     -24   -7   12 o    10.64000      0.2734000       10.64000 0.3892000       10.64000      0.3840000     -0.2340000E-02  0.5467000
  1 1 1     -24   -7   13 o    14.79000      0.2847000       14.71000 0.4037000       14.87000      0.4015000     -0.1554000      0.5693000
  1 1 1     -24   -7   14 o    17.28000      0.3042000       17.21000 0.4277000       17.35000      0.4328000     -0.1416000      0.6084000
  1 1 1     -24   -7   15 o    15.64000      0.4108000       15.71000 0.5912000       15.56000      0.5706000      0.1463000      0.8217000
  1 1 1     -24   -7   16 o    8.106000      0.3304000       7.799000 0.4857000       8.414000      0.4480000     -0.6145000      0.6607000
  1 1 1     -24   -7   17 o    10.42000      0.3038000       10.37000 0.4320000       10.48000      0.4272000     -0.1096000      0.6076000
  1 1 1     -24   -7   18 o    15.59000      0.4335000       15.62000 0.6021000       15.56000      0.6239000      0.6178000E-01  0.8670000
  1 1 1     -24   -7   19 o    3.029000      0.6671000       2.950000 0.9415000       3.108000      0.9454000     -0.1577000       1.334000
  1 1 1     -24   -7   20 o    11.96000      0.3062000       12.07000 0.4338000       11.84000      0.4322000      0.2327000      0.6123000
  1 1 1     -24   -7   21 o    3.420000      0.6925000       3.384000 0.9835000       3.456000      0.9751000     -0.7242000E-01   1.385000
  1 1 1     -24   -7   22 o    6.121000      0.4300000       6.096000 0.6091000       6.145000      0.6072000     -0.4947000E-01  0.8601000
  1 1 1     -24   -7   23 o    8.809000      0.3544000       9.126000 0.4919000       8.492000      0.5104000      0.6340000      0.7089000
  1 1 1     -24   -7   24 o    1.995000      0.6099000       1.715000 0.7956000       2.275000      0.9248000     -0.5602000       1.220000
  1 1 1     -24   -7   25 o    6.643000      0.4129000       6.742000 0.6022000       6.543000      0.5650000      0.1984000      0.8257000
  1 1 1     -24   -7   26 o    2.535000      0.6711000       2.886000 0.9873000       2.183000      0.9094000      0.7025000       1.342000
  1 1 1     -24   -7   27 o    2.654000      0.6961000       2.619000 0.9940000       2.688000      0.9748000     -0.6927000E-01   1.392000
  1 1 1     -24   -7   28 f    1.888000      0.5867000       1.647000 0.7779000       2.130000      0.8784000     -0.4830000       1.173000
  1 1 1     -24   -6    1 o    9.818000      0.3008000       9.909000 0.3300000       9.727000      0.5031000      0.1828000      0.6016000
  1 1 1     -24   -6    2 o    3.839000      0.6106000       3.584000 0.8950000       4.095000      0.8309000     -0.5113000       1.221000
  1 1 1     -24   -6    3 o    5.721000      0.3128000       5.849000 0.4326000       5.594000      0.4519000      0.2546000      0.6256000
  1 1 1     -24   -6    4 o    4.808000      0.3614000       4.955000 0.4927000       4.660000      0.5289000      0.2943000      0.7228000
  1 1 1     -24   -6    5 o    2.954000      0.5297000       3.181000 0.7256000       2.728000      0.7718000      0.4534000       1.059000
  1 1 1     -24   -6    6 o    9.855000      0.2590000       10.14000 0.3684000       9.573000      0.3643000      0.5647000      0.5181000
  1 1 1     -24   -6    7 o    9.708000      0.2567000       9.635000 0.3675000       9.781000      0.3584000     -0.1462000      0.5134000
  1 1 1     -24   -6    8 o    19.60000      0.3116000       20.11000 0.4478000       19.10000      0.4335000       1.012000      0.6232000
  1 1 1     -24   -6    9 f    13.97000      0.2704000       14.36000 0.3822000       13.57000      0.3827000      0.7866000      0.5408000
  1 1 1     -24   -6   10 o    4.873000      0.5236000       4.476000 0.9077000       5.270000      0.5221000     -0.7945000       1.047000
  1 1 1     -24   -6   11 o    11.66000      0.2689000       11.93000 0.3835000       11.39000      0.3769000      0.5409000      0.5377000
  1 1 1     -24   -6   12 o    7.154000      0.3134000       7.026000 0.4491000       7.282000      0.4373000     -0.2561000      0.6268000
  1 1 1     -24   -6   13 o    6.852000      0.3280000       6.442000 0.4798000       7.263000      0.4474000     -0.8208000      0.6560000
  1 1 1     -24   -6   14 o    9.826000      0.2892000       9.828000 0.4051000       9.823000      0.4130000      0.5333000E-02  0.5785000
  1 1 1     -24   -6   15 o    9.164000      0.4195000       8.847000 0.6286000       9.482000      0.5556000     -0.6354000      0.8389000
  1 1 1     -24   -6   16 o    3.579000      0.5838000       3.929000 0.7789000       3.228000      0.8697000      0.7012000       1.168000
  1 1 1     -24   -6   17 o    4.862000      0.4718000       4.950000 0.6949000       4.774000      0.6382000      0.1762000      0.9435000
  1 1 1     -24   -6   18 o    6.358000      0.5988000       6.276000 0.7942000       6.439000      0.8963000     -0.1628000       1.198000
  1 1 1     -24   -6   19 o    7.545000      0.3579000       7.700000 0.4972000       7.391000      0.5150000      0.3093000      0.7158000
  1 1 1     -24   -6   20 o    11.45000      0.3122000       11.57000 0.4432000       11.33000      0.4398000      0.2347000      0.6243000
  1 1 1     -24   -6   21 o    6.861000      0.4086000       7.276000 0.5639000       6.446000      0.5914000      0.8296000      0.8172000
  1 1 1     -24   -6   22 o    6.450000      0.4183000       6.813000 0.5702000       6.086000      0.6121000      0.7270000      0.8365000
  1 1 1     -24   -6   23 o    4.471000      0.5603000       4.399000 0.8089000       4.543000      0.7755000     -0.1441000       1.121000
  1 1 1     -24   -6   24 o    4.234000      0.6114000       4.534000 0.8243000       3.933000      0.9033000      0.6008000       1.223000
  1 1 1     -24   -6   25 o    4.396000      0.5910000       4.929000 0.7823000       3.862000      0.8861000       1.067000       1.182000
  1 1 1     -24   -6   26 o    2.241000      0.6591000       2.087000 0.9110000       2.396000      0.9528000     -0.3083000       1.318000
  1 1 1     -24   -6   27 o    2.618000      0.6766000       2.711000 0.9726000       2.525000      0.9408000      0.1859000       1.353000
  1 1 1     -24   -6   28 o    3.306000      0.6681000       2.723000 1.001000       3.890000      0.8854000      -1.167000       1.336000
  1 1 1     -24   -5    1 o    21.33000      0.4581000       21.88000 0.6559000       20.77000      0.6396000       1.106000      0.9162000
  1 1 1     -24   -5    2 o    2.745000      0.6685000       2.920000 0.9482000       2.571000      0.9426000      0.3487000       1.337000
  1 1 1     -24   -5    3 o    3.263000      0.4908000       3.479000 0.6486000       3.047000      0.7369000      0.4326000      0.9816000
  1 1 1     -24   -5    4 o    8.033000      0.2551000       8.057000 0.3677000       8.010000      0.3539000      0.4669000E-01  0.5103000
  1 1 1     -24   -5    5 f    8.495000      0.2622000       8.274000 0.3717000       8.715000      0.3698000     -0.4416000      0.5243000
  1 1 1     -24   -5    6 o    14.82000      0.3281000       14.92000 0.5340000       14.73000      0.3812000      0.1911000      0.6561000
  1 1 1     -24   -5    7 o    13.11000      0.2625000       13.21000 0.3754000       13.00000      0.3670000      0.2110000      0.5250000
  1 1 1     -24   -5    8 o    18.81000      0.3046000       18.84000 0.4323000       18.79000      0.4291000      0.4904000E-01  0.6091000
  1 1 1     -24   -5    9 o    6.676000      0.3095000       6.356000 0.4594000       6.996000      0.4150000     -0.6399000      0.6191000
  1 1 1     -24   -5   10 o    8.088000      0.2869000       8.077000 0.4120000       8.098000      0.3993000     -0.2064000E-01  0.5737000
  1 1 1     -24   -5   11 o    4.220000      0.4555000       4.443000 0.6196000       3.998000      0.6678000      0.4454000      0.9110000
  1 1 1     -24   -5   12 o    6.796000      0.3117000       6.590000 0.4570000       7.002000      0.4240000     -0.4117000      0.6234000
  1 1 1     -24   -5   13 o    11.35000      0.2806000       11.45000 0.3945000       11.26000      0.3992000      0.1959000      0.5612000
  1 1 1     -24   -5   14 o    9.702000      0.3617000       9.937000 0.4857000       9.467000      0.5361000      0.4691000      0.7235000
  1 1 1     -24   -5   15 o    5.185000      0.5786000       4.499000 0.9021000       5.872000      0.7246000      -1.372000       1.157000
  1 1 1     -24   -5   16 o    5.683000      0.4018000       5.915000 0.5666000       5.450000      0.5699000      0.4642000      0.8036000
  1 1 1     -24   -5   17 o    3.438000      0.7946000       2.991000 1.134000       3.885000       1.113000     -0.8936000       1.589000
  1 1 1     -24   -5   18 o    4.646000      0.7340000       4.658000 0.9684000       4.635000       1.103000      0.2330000E-01   1.468000
  1 1 1     -24   -5   19 o    5.030000      0.5031000       5.991000 0.5795000       4.070000      0.8226000       1.921000       1.006000
  1 1 1     -24   -5   20 f    5.125000      0.5083000       5.062000 0.7372000       5.188000      0.7001000     -0.1257000       1.017000
  1 1 1     -24   -5   21 o    5.582000      0.4686000       5.871000 0.6465000       5.292000      0.6785000      0.5790000      0.9372000
  1 1 1     -24   -5   22 o    3.471000      0.6216000       2.498000 0.9617000       4.443000      0.7878000      -1.944000       1.243000
  1 1 1     -24   -5   23 o    8.906000      0.3421000       8.368000 0.5092000       9.444000      0.4570000      -1.076000      0.6842000
  1 1 1     -24   -5   24 o    5.895000      0.4529000       5.489000 0.6823000       6.301000      0.5959000     -0.8119000      0.9059000
  1 1 1     -24   -5   25 f    3.428000      0.6573000       2.951000 0.9802000       3.905000      0.8759000     -0.9539000       1.315000
  1 1 1     -24   -5   26 o    5.344000      0.4901000       5.781000 0.6489000       4.906000      0.7346000      0.8753000      0.9802000
  1 1 1     -24   -5   27 o    2.959000      0.6786000       2.528000 0.9654000       3.390000      0.9539000     -0.8612000       1.357000
  1 1 1     -24   -5   28 o    3.262000      0.6498000       3.864000 0.8731000       2.660000      0.9626000       1.204000       1.300000
  1 1 1     -24   -4    1 o    12.85000      0.3538000       12.97000 0.4982000       12.72000      0.5025000      0.2493000      0.7076000
  1 1 1     -24   -4    2 f    8.598000      0.2522000       8.538000 0.3552000       8.657000      0.3580000     -0.1181000      0.5043000
  1 1 1     -24   -4    3 o    12.97000      0.2536000       13.08000 0.3555000       12.86000      0.3617000      0.2154000      0.5072000
  1 1 1     -24   -4    4 o    8.319000      0.3711000       8.319000 0.3711000                  ?              ?              ?              ?
  1 1 1     -24   -4    5 o    10.20000      0.2514000       10.25000 0.3522000       10.14000      0.3589000      0.1162000      0.5029000
  1 1 1     -24   -4    6 o    8.024000      0.3853000                  ?       ?   8.024000      0.3853000                  ?              ?
  1 1 1     -24   -4    7 o    13.24000      0.2624000       13.46000 0.3737000       13.01000      0.3684000      0.4506000      0.5248000
  1 1 1     -24   -4    8 o    2.360000      0.5600000       2.751000 0.8156000       1.968000      0.7677000      0.7833000       1.120000
  1 1 1     -24   -4    9 o    11.56000      0.2579000       11.63000 0.3654000       11.50000      0.3642000      0.1297000      0.5159000
  1 1 1     -24   -4   10 f    10.69000      0.2589000       10.75000 0.3630000       10.63000      0.3692000      0.1171000      0.5177000
  1 1 1     -24   -4   11 o    2.610000      0.5687000       2.361000 0.8133000       2.859000      0.7950000     -0.4979000       1.137000
  1 1 1     -24   -4   12 o    4.705000      0.4913000       4.269000 0.8351000       5.141000      0.5176000     -0.8714000      0.9825000
  1 1 1     -24   -4   13 f    12.62000      0.2748000       12.47000 0.3902000       12.78000      0.3871000     -0.3034000      0.5497000
  1 1 1     -24   -4   14 o    4.559000      0.5779000       4.920000 0.7521000       4.198000      0.8776000      0.7211000       1.156000
  1 1 1     -24   -4   15 o    13.62000      0.2855000       13.93000 0.4051000       13.32000      0.4025000      0.6066000      0.5711000
  1 1 1     -24   -4   16 o    6.363000      0.3849000       5.847000 0.5868000       6.880000      0.4983000      -1.033000      0.7698000
  1 1 1     -24   -4   17 o    3.533000      0.7298000       4.526000 1.015000       2.540000       1.049000       1.986000       1.460000
  1 1 1     -24   -4   18 o    4.820000      0.4958000       5.219000 0.6319000       4.421000      0.7643000      0.7978000      0.9917000
  1 1 1     -24   -4   19 o    5.870000      0.4264000       6.055000 0.5845000       5.684000      0.6211000      0.3709000      0.8528000
  1 1 1     -24   -4   20 o    6.416000      0.3998000       7.140000 0.5217000       5.692000      0.6059000       1.448000      0.7995000
  1 1 1     -24   -4   21 o    7.344000      0.3606000       7.504000 0.5080000       7.184000      0.5120000      0.3208000      0.7212000
  1 1 1     -24   -4   22 o    4.136000      0.6136000       4.210000 0.8714000       4.062000      0.8641000      0.1482000       1.227000
  1 1 1     -24   -4   23 o    9.626000      0.3279000       9.744000 0.4791000       9.509000      0.4479000      0.2349000      0.6558000
  1 1 1     -24   -4   24 o    3.269000      0.6381000       2.663000 0.9545000       3.874000      0.8471000      -1.210000       1.276000
  1 1 1     -24   -4   25 o    7.813000      0.3768000       8.244000 0.5148000       7.382000      0.5505000      0.8625000      0.7537000
  1 1 1     -24   -4   26 o    4.691000      0.5606000       5.179000 0.7260000       4.204000      0.8544000      0.9754000       1.121000
  1 1 1     -24   -4   27 o    6.733000      0.4118000       6.642000 0.5940000       6.825000      0.5705000     -0.1833000      0.8236000
  1 1 1     -24   -4   28 o    3.274000      0.6612000       2.922000 0.9469000       3.627000      0.9232000     -0.7050000       1.322000
  1 1 1     -24   -3    1 o    4.816000      0.4839000       4.591000 0.6904000       5.041000      0.6784000     -0.4498000      0.9679000
  1 1 1     -24   -3    2 o    5.990000      0.2895000       6.029000 0.3944000       5.952000      0.4238000      0.7658000E-01  0.5789000
  1 1 1     -24   -3    3 o    15.55000      0.2694000       15.24000 0.3745000       15.86000      0.3874000     -0.6189000      0.5389000
  1 1 1     -24   -3    4 o    13.78000      0.3039000       14.17000 0.3709000       13.40000      0.4814000      0.7679000      0.6077000
  1 1 1     -24   -3    5 o    5.550000      0.3265000       5.770000 0.4377000       5.330000      0.4845000      0.4396000      0.6529000
  1 1 1     -24   -3    6 o    2.027000      0.5194000       1.368000 0.6562000       2.686000      0.8053000      -1.318000       1.039000
  1 1 1     -24   -3    7 o    18.11000      0.2971000       18.25000 0.4197000       17.97000      0.4207000      0.2712000      0.5943000
  1 1 1     -24   -3    8 o    7.950000      0.2744000       8.279000 0.3855000       7.621000      0.3908000      0.6582000      0.5489000
  1 1 1     -24   -3    9 o    12.16000      0.2577000       12.00000 0.3640000       12.32000      0.3650000     -0.3240000      0.5154000
  1 1 1     -24   -3   10 o    2.395000      0.5716000       2.106000 0.7965000       2.683000      0.8202000     -0.5771000       1.143000
  1 1 1     -24   -3   11 o    3.843000      0.5038000       4.227000 0.6571000       3.459000      0.7639000      0.7671000       1.008000
  1 1 1     -24   -3   12 o    7.156000      0.3074000       7.251000 0.4321000       7.061000      0.4375000      0.1903000      0.6148000
  1 1 1     -24   -3   13 o    8.426000      0.3007000       8.119000 0.4347000       8.732000      0.4158000     -0.6127000      0.6015000
  1 1 1     -24   -3   14 o    4.337000      0.6558000       3.807000 1.019000       4.868000      0.8262000      -1.062000       1.312000
  1 1 1     -24   -3   15 o    14.90000      0.2927000       14.98000 0.4158000       14.82000      0.4122000      0.1600000      0.5854000
  1 1 1     -24   -3   16 o    3.772000      0.4976000       4.557000 0.6294000       2.986000      0.7708000       1.571000      0.9951000
  1 1 1     -24   -3   17 o    4.038000      0.7614000       4.151000 1.103000       3.925000       1.049000      0.2261000       1.523000
  1 1 1     -24   -3   18 o    3.059000      0.6419000       2.893000 0.9109000       3.226000      0.9046000     -0.3330000       1.284000
  1 1 1     -24   -3   19 o    4.954000      0.5166000       4.284000 0.7999000       5.623000      0.6541000      -1.339000       1.033000
  1 1 1     -24   -3   20 o    6.005000      0.4055000       6.700000 0.5173000       5.311000      0.6245000       1.390000      0.8109000
  1 1 1     -24   -3   21 o    5.114000      0.4896000       4.543000 0.7610000       5.686000      0.6163000      -1.142000      0.9792000
  1 1 1     -24   -3   22 o    3.398000      0.5666000       4.729000 0.7356000       2.068000      0.8621000       2.661000       1.133000
  1 1 1     -24   -3   23 o    5.934000      0.4538000       5.577000 0.6894000       6.290000      0.5905000     -0.7124000      0.9077000
  1 1 1     -24   -3   24 o    4.097000      0.5931000       4.274000 0.8402000       3.921000      0.8373000      0.3533000       1.186000
  1 1 1     -24   -3   25 f    8.444000      0.3497000       8.419000 0.5007000       8.470000      0.4884000     -0.5149000E-01  0.6995000
  1 1 1     -24   -3   26 o    2.234000      0.6412000       2.345000 0.9300000       2.124000      0.8829000      0.2210000       1.282000
  1 1 1     -24   -3   27 o    7.441000      0.3759000       7.690000 0.5278000       7.193000      0.5353000      0.4967000      0.7517000
  1 1 1     -24   -2    1 o    12.80000      0.2468000       12.69000 0.3454000       12.92000      0.3527000     -0.2288000      0.4936000
  1 1 1     -24   -2    2 o    2.188000      0.5166000       2.466000 0.7302000       1.911000      0.7311000      0.5546000       1.033000
  1 1 1     -24   -2    3 o    11.37000      0.2471000       11.31000 0.3471000       11.43000      0.3519000     -0.1259000      0.4943000
  1 1 1     -24   -2    4 o    18.42000      0.2965000       17.97000 0.4121000       18.86000      0.4263000     -0.8874000      0.5929000
  1 1 1     -24   -2    5 o    5.747000      0.3091000       5.844000 0.4279000       5.650000      0.4461000      0.1940000      0.6181000
  1 1 1     -24   -2    6 o    1.646000      0.4939000       1.385000 0.6335000       1.908000      0.7580000     -0.5235000      0.9879000
  1 1 1     -24   -2    7 o    4.231000      0.4049000       4.752000 0.5142000       3.710000      0.6256000       1.042000      0.8098000
  1 1 1     -24   -2    8 o    3.814000      0.4705000       4.076000 0.6169000       3.553000      0.7106000      0.5229000      0.9410000
  1 1 1     -24   -2    9 o    15.67000      0.2775000       15.79000 0.3940000       15.56000      0.3910000      0.2312000      0.5550000
  1 1 1     -24   -2   10 o    12.15000      0.2627000       12.06000 0.3735000       12.23000      0.3694000     -0.1681000      0.5254000
  1 1 1     -24   -2   11 o    5.988000      0.3486000       6.155000 0.4829000       5.820000      0.5029000      0.3355000      0.6972000
  1 1 1     -24   -2   12 o    6.427000      0.3167000       6.611000 0.4447000       6.242000      0.4510000      0.3693000      0.6334000
  1 1 1     -24   -2   13 o    9.335000      0.3687000       8.888000 0.5471000       9.781000      0.4945000     -0.8926000      0.7374000
  1 1 1     -24   -2   14 o    1.802000      0.5519000       1.673000 0.7488000       1.931000      0.8111000     -0.2583000       1.104000
  1 1 1     -24   -2   15 o    3.943000      0.5075000       4.346000 0.6506000       3.540000      0.7790000      0.8062000       1.015000
  1 1 1     -24   -2   16 o    6.320000      0.5767000       5.841000 0.8427000       6.799000      0.7875000     -0.9577000       1.153000
  1 1 1     -24   -2   17 f    6.547000      0.3500000       6.769000 0.4774000       6.324000      0.5120000      0.4447000      0.7001000
  1 1 1     -24   -2   18 f    2.953000      0.6502000       2.722000 0.9254000       3.183000      0.9137000     -0.4603000       1.300000
  1 1 1     -24   -2   19 o    8.280000      0.3369000       8.519000 0.4666000       8.042000      0.4861000      0.4772000      0.6739000
  1 1 1     -24   -2   20 o    8.287000      0.3424000       8.881000 0.4655000       7.693000      0.5023000       1.188000      0.6848000
  1 1 1     -24   -2   21 o    6.236000      0.4373000       5.544000 0.6866000       6.928000      0.5417000      -1.384000      0.8745000
  1 1 1     -24   -2   22 o    3.653000      0.6090000       3.083000 0.9524000       4.224000      0.7592000      -1.141000       1.218000
  1 1 1     -24   -2   23 o    1.811000      0.5677000       1.616000 0.7667000       2.005000      0.8375000     -0.3894000       1.135000
  1 1 1     -24   -2   24 o    3.393000      0.6813000       3.038000 1.004000       3.747000      0.9212000     -0.7089000       1.363000
  1 1 1     -24   -2   25 o    3.477000      0.6694000       3.702000 0.9314000       3.251000      0.9616000      0.4513000       1.339000
  1 1 1     -24   -2   26 o    3.802000      0.6579000       3.791000 0.9399000       3.813000      0.9209000     -0.2195000E-01   1.316000
  1 1 1     -24   -2   27 o    4.423000      0.5212000       4.266000 0.7657000       4.580000      0.7072000     -0.3139000       1.042000
  1 1 1     -24   -1    1 o    6.593000      0.2595000       6.719000 0.3705000       6.467000      0.3634000      0.2521000      0.5190000
  1 1 1     -24   -1    2 o    4.676000      0.3345000       4.663000 0.4832000       4.689000      0.4625000     -0.2669000E-01  0.6689000
  1 1 1     -24   -1    3 o    3.832000      0.4005000       3.578000 0.5986000       4.087000      0.5322000     -0.5094000      0.8009000
  1 1 1     -24   -1    4 o    8.397000      0.2549000       8.256000 0.3558000       8.538000      0.3650000     -0.2818000      0.5097000
  1 1 1     -24   -1    5 o    6.443000      0.2812000       6.669000 0.3905000       6.217000      0.4048000      0.4518000      0.5625000
  1 1 1     -24   -1    6 o    11.35000      0.2499000       11.70000 0.3559000       11.00000      0.3510000      0.7031000      0.4999000
  1 1 1     -24   -1    7 o    8.512000      0.2622000       8.250000 0.3742000       8.773000      0.3673000     -0.5234000      0.5243000
  1 1 1     -24   -1    8 f    6.236000      0.3042000       6.561000 0.4417000       5.912000      0.4185000      0.6481000      0.6085000
  1 1 1     -24   -1    9 f    14.05000      0.2700000       14.12000 0.3846000       13.98000      0.3790000      0.1380000      0.5399000
  1 1 1     -24   -1   10 o    10.06000      0.2638000       10.21000 0.3745000       9.913000      0.3716000      0.2943000      0.5276000
  1 1 1     -24   -1   11 o    9.250000      0.2715000       9.030000 0.3863000       9.470000      0.3816000     -0.4393000      0.5429000
  1 1 1     -24   -1   12 o    2.374000      0.5591000       2.100000 0.7703000       2.648000      0.8105000     -0.5489000       1.118000
  1 1 1     -24   -1   13 o    10.82000      0.3826000       10.52000 0.5571000       11.13000      0.5245000     -0.6067000      0.7651000
  1 1 1     -24   -1   14 o    7.436000      0.3138000       7.649000 0.4507000       7.222000      0.4367000      0.4266000      0.6275000
  1 1 1     -24   -1   15 o    2.578000      0.7358000       2.656000 1.054000       2.500000       1.027000      0.1560000       1.472000
  1 1 1     -24   -1   16 o    7.914000      0.4995000       7.722000 0.7038000       8.106000      0.7091000     -0.3843000      0.9991000
  1 1 1     -24   -1   17 o    9.366000      0.3111000       9.812000 0.4309000       8.920000      0.4487000      0.8919000      0.6221000
  1 1 1     -24   -1   18 o    3.482000      0.5775000       2.298000 0.9053000       4.665000      0.7173000      -2.366000       1.155000
  1 1 1     -24   -1   19 o    13.22000      0.2988000       13.18000 0.4217000       13.25000      0.4233000     -0.7433000E-01  0.5975000
  1 1 1     -24   -1   20 o    6.923000      0.3854000       6.171000 0.5842000       7.675000      0.5028000      -1.504000      0.7708000
  1 1 1     -24   -1   21 o    4.996000      0.5048000       5.050000 0.7106000       4.941000      0.7171000      0.1086000       1.010000
  1 1 1     -24   -1   22 o    1.535000      0.5132000       1.526000 0.7263000       1.543000      0.7252000     -0.1614000E-01   1.026000
  1 1 1     -24   -1   23 o    3.600000      0.6367000       2.944000 0.9889000       4.256000      0.8022000      -1.313000       1.273000
  1 1 1     -24   -1   24 o    5.033000      0.4431000       5.402000 0.5855000       4.664000      0.6652000      0.7383000      0.8862000
  1 1 1     -24   -1   25 o    1.743000      0.5618000       1.725000 0.7940000       1.761000      0.7950000     -0.3635000E-01   1.124000
  1 1 1     -24   -1   26 f    3.299000      0.6353000       3.717000 0.8874000       2.882000      0.9094000      0.8351000       1.271000
  1 1 1     -24   -1   27 o    3.694000      0.6478000       4.037000 0.8693000       3.351000      0.9606000      0.6854000       1.296000
  1 1 1     -24    0    1 o    14.72000      0.2587000       14.82000 0.3649000       14.62000      0.3667000      0.1963000      0.5173000
  1 1 1     -24    0    2 o    15.91000      0.2680000       15.58000 0.3744000       16.24000      0.3835000     -0.6558000      0.5360000
  1 1 1     -24    0    3 o    17.49000      0.2848000       17.24000 0.3976000       17.74000      0.4080000     -0.4949000      0.5697000
  1 1 1     -24    0    4 o    15.35000      0.2676000       15.25000 0.3747000       15.44000      0.3822000     -0.1903000      0.5353000
  1 1 1     -24    0    5 o    7.685000      0.3694000       7.685000 0.3694000                  ?              ?              ?              ?
  1 1 1     -24    0    6 o    6.743000      0.2806000       6.571000 0.4012000       6.915000      0.3922000     -0.3441000      0.5611000
  1 1 1     -24    0    7 o    7.141000      0.3832000                  ?       ?   7.141000      0.3832000                  ?              ?
  1 1 1     -24    0    8 f    5.072000      0.3399000       5.299000 0.4579000       4.846000      0.5025000      0.4528000      0.6798000
  1 1 1     -24    0    9 o    6.968000      0.2972000       6.803000 0.4325000       7.134000      0.4076000     -0.3313000      0.5943000
  1 1 1     -24    0   10 o    8.418000      0.2737000       8.919000 0.3719000       7.916000      0.4018000       1.004000      0.5475000
  1 1 1     -24    0   11 o    3.172000      0.5651000       3.197000 0.8102000       3.147000      0.7879000      0.4942000E-01   1.130000
  1 1 1     -24    0   12 o    6.282000      0.4202000       6.155000 0.6061000       6.409000      0.5820000     -0.2538000      0.8403000
  1 1 1     -24    0   13 o    7.223000      0.3078000       7.365000 0.4367000       7.081000      0.4340000      0.2832000      0.6157000
  1 1 1     -24    0   14 o    4.723000      0.4313000       4.810000 0.6079000       4.636000      0.6121000      0.1742000      0.8627000
  1 1 1     -24    0   15 o    13.28000      0.4195000       13.38000 0.5809000       13.18000      0.6054000      0.1968000      0.8390000
  1 1 1     -24    0   16 o    3.832000      0.5206000       4.733000 0.6170000       2.930000      0.8386000       1.803000       1.041000
  1 1 1     -24    0   17 o    6.751000      0.3788000       6.127000 0.5806000       7.376000      0.4867000      -1.249000      0.7576000
  1 1 1     -24    0   18 o    6.798000      0.3806000       7.115000 0.5182000       6.482000      0.5575000      0.6326000      0.7611000
  1 1 1     -24    0   19 o    8.505000      0.3352000       8.529000 0.4685000       8.481000      0.4794000      0.4744000E-01  0.6703000
  1 1 1     -24    0   20 o    2.375000      0.6592000       2.636000 0.9710000       2.114000      0.8918000      0.5215000       1.318000
  1 1 1     -24    0   21 o    3.233000      0.6332000       2.504000 0.9339000       3.963000      0.8553000      -1.459000       1.266000
  1 1 1     -24    0   22 o    7.540000      0.3760000       7.598000 0.5369000       7.482000      0.5265000      0.1158000      0.7520000
  1 1 1     -24    0   23 f    7.937000      0.3606000       8.770000 0.4883000       7.104000      0.5308000       1.666000      0.7213000
  1 1 1     -24    0   24 o    4.802000      0.5176000       4.942000 0.7570000       4.662000      0.7061000      0.2803000       1.035000
  1 1 1     -24    0   25 o    3.160000      0.6896000       2.931000 0.9882000       3.388000      0.9622000     -0.4571000       1.379000
  1 1 1     -24    0   26 o    1.962000      0.5930000       2.221000 0.8944000       1.702000      0.7789000      0.5185000       1.186000
  1 1 1     -24    1    1 o    15.36000      0.2712000       15.79000 0.3760000       14.92000      0.3908000      0.8741000      0.5423000
  1 1 1     -24    1    2 o    7.383000      0.2694000       7.430000 0.3466000       7.335000      0.4125000      0.9498000E-01  0.5388000
  1 1 1     -24    1    3 o    7.961000      0.2763000       8.197000 0.3446000       7.726000      0.4320000      0.4705000      0.5526000
  1 1 1     -24    1    4 o    6.584000      0.2857000       6.499000 0.3948000       6.668000      0.4131000     -0.1683000      0.5714000
  1 1 1     -24    1    5 o    4.922000      0.4626000       4.922000 0.4626000                  ?              ?              ?              ?
  1 1 1     -24    1    6 o    8.136000      0.2607000       7.731000 0.3775000       8.541000      0.3596000     -0.8105000      0.5214000
  1 1 1     -24    1    7 o    13.64000      0.3713000                  ?       ?   13.64000      0.3713000                  ?              ?
  1 1 1     -24    1    8 o    10.52000      0.2603000       10.58000 0.3667000       10.45000      0.3695000      0.1336000      0.5205000
  1 1 1     -24    1    9 o    9.387000      0.2618000       9.615000 0.3713000       9.158000      0.3692000      0.4567000      0.5236000
  1 1 1     -24    1   10 o    4.940000      0.3888000       5.679000 0.4822000       4.200000      0.6102000       1.478000      0.7777000
  1 1 1     -24    1   11 o    3.239000      0.6099000       3.575000 0.8318000       2.902000      0.8921000      0.6731000       1.220000
  1 1 1     -24    1   12 o    3.669000      0.5120000       4.130000 0.6487000       3.208000      0.7922000      0.9220000       1.024000
  1 1 1     -24    1   13 o    2.892000      0.5614000       2.550000 0.8363000       3.234000      0.7493000     -0.6844000       1.123000
  1 1 1     -24    1   14 o    6.642000      0.4995000       6.026000 0.7546000       7.258000      0.6547000      -1.232000      0.9990000
  1 1 1     -24    1   15 o    16.03000      0.2968000       15.77000 0.4209000       16.30000      0.4185000     -0.5382000      0.5935000
  1 1 1     -24    1   16 o    2.703000      0.5466000       1.705000 0.7773000       3.702000      0.7687000      -1.997000       1.093000
  1 1 1     -24    1   17 o    2.250000      0.6163000       2.477000 0.8968000       2.024000      0.8455000      0.4531000       1.233000
  1 1 1     -24    1   18 o    7.947000      0.3216000       7.874000 0.4547000       8.020000      0.4547000     -0.1463000      0.6431000
  1 1 1     -24    1   19 o    8.314000      0.3304000       8.280000 0.4781000       8.349000      0.4562000     -0.6822000E-01  0.6608000
  1 1 1     -24    1   20 o    6.188000      0.3753000       6.130000 0.5248000       6.245000      0.5366000     -0.1151000      0.7506000
  1 1 1     -24    1   21 o    8.614000      0.3200000       8.811000 0.4513000       8.417000      0.4538000      0.3935000      0.6400000
  1 1 1     -24    1   22 o    5.139000      0.4624000       4.984000 0.6845000       5.293000      0.6217000     -0.3089000      0.9247000
  1 1 1     -24    1   23 o    6.199000      0.3665000       5.939000 0.5355000       6.459000      0.5004000     -0.5200000      0.7329000
  1 1 1     -24    1   24 o    2.310000      0.6250000       1.987000 0.8477000       2.633000      0.9186000     -0.6459000       1.250000
  1 1 1     -24    1   25 o    5.322000      0.4529000       5.848000 0.5830000       4.797000      0.6933000       1.051000      0.9058000
  1 1 1     -24    1   26 o    2.159000      0.5952000       2.475000 0.8809000       1.843000      0.8007000      0.6315000       1.190000
  1 1 1     -24    2    1 o    16.38000      0.2793000       16.64000 0.3860000       16.11000      0.4038000      0.5294000      0.5586000
  1 1 1     -24    2    2 o    7.364000      0.2721000       7.136000 0.3465000       7.591000      0.4197000     -0.4550000      0.5442000
  1 1 1     -24    2    3 o    2.095000      0.5636000       2.044000 0.7576000       2.147000      0.8346000     -0.1028000       1.127000
  1 1 1     -24    2    4 o    11.46000      0.2607000       11.56000 0.3436000       11.36000      0.3921000      0.2073000      0.5214000
  1 1 1     -24    2    5 o    8.723000      0.2807000       9.157000 0.3564000       8.289000      0.4338000      0.8680000      0.5614000
  1 1 1     -24    2    6 o    1.263000      0.4293000       1.273000 0.6035000       1.254000      0.6107000      0.1862000E-01  0.8586000
  1 1 1     -24    2    7 o    3.254000      0.5310000       3.700000 0.6459000       2.809000      0.8430000      0.8912000       1.062000
  1 1 1     -24    2    8 o    2.614000      0.6051000       2.757000 0.8288000       2.471000      0.8819000      0.2863000       1.210000
  1 1 1     -24    2    9 o    2.865000      0.6321000       2.112000 0.8163000       3.617000      0.9654000      -1.505000       1.264000
  1 1 1     -24    2   10 o    6.946000      0.3963000       6.844000 0.5771000       7.048000      0.5432000     -0.2043000      0.7925000
  1 1 1     -24    2   11 o    2.628000      0.6631000       2.951000 1.004000       2.305000      0.8662000      0.6462000       1.326000
  1 1 1     -24    2   12 o    2.215000      0.5528000       1.632000 0.7365000       2.797000      0.8245000      -1.165000       1.106000
  1 1 1     -24    2   13 o    7.857000      0.4808000       7.891000 0.6626000       7.823000      0.6969000      0.6787000E-01  0.9616000
  1 1 1     -24    2   14 o    3.963000      0.6040000       4.823000 0.8842000       3.103000      0.8232000       1.720000       1.208000
  1 1 1     -24    2   15 o    4.677000      0.4783000       4.205000 0.7476000       5.150000      0.5968000     -0.9455000      0.9566000
  1 1 1     -24    2   16 o    3.133000      0.6002000       3.299000 0.8391000       2.966000      0.8585000      0.3332000       1.200000
  1 1 1     -24    2   17 o    5.459000      0.4384000       6.064000 0.5266000       4.855000      0.7011000       1.209000      0.8768000
  1 1 1     -24    2   18 o    6.117000      0.3926000       5.638000 0.5972000       6.596000      0.5099000     -0.9583000      0.7853000
  1 1 1     -24    2   19 o    4.506000      0.4997000       4.680000 0.7025000       4.333000      0.7110000      0.3464000      0.9995000
  1 1 1     -24    2   20 o    6.200000      0.3656000       6.810000 0.4854000       5.590000      0.5467000       1.220000      0.7311000
  1 1 1     -24    2   21 o    6.959000      0.3688000       7.304000 0.5020000       6.613000      0.5406000      0.6901000      0.7377000
  1 1 1     -24    2   22 o    2.535000      0.6119000       3.130000 0.9030000       1.939000      0.8261000       1.191000       1.224000
  1 1 1     -24    2   23 o    3.956000      0.5652000       3.633000 0.8677000       4.278000      0.7243000     -0.6450000       1.130000
  1 1 1     -24    2   24 o    2.044000      0.6120000       1.883000 0.8358000       2.205000      0.8941000     -0.3221000       1.224000
  1 1 1     -24    2   25 o    6.503000      0.3975000       6.975000 0.5473000       6.031000      0.5766000      0.9434000      0.7950000
  1 1 1     -24    3    1 o    3.973000      0.4282000       3.349000 0.6138000       4.597000      0.5972000      -1.248000      0.8564000
  1 1 1     -24    3    2 o    10.13000      0.2647000       10.11000 0.3488000       10.16000      0.3983000     -0.4684000E-01  0.5294000
  1 1 1     -24    3    3 o    3.000000      0.5393000       2.707000 0.7458000       3.293000      0.7791000     -0.5861000       1.079000
  1 1 1     -24    3    4 o    2.098000      0.5610000       2.077000 0.7490000       2.118000      0.8353000     -0.4137000E-01   1.122000
  1 1 1     -24    3    5 o    8.219000      0.2899000       8.341000 0.3733000       8.096000      0.4436000      0.2453000      0.5798000
  1 1 1     -24    3    6 o    3.057000      0.5473000       3.800000 0.6581000       2.314000      0.8747000       1.486000       1.095000
  1 1 1     -24    3    7 o    3.469000      0.5507000       4.086000 0.6286000       2.853000      0.9044000       1.233000       1.101000
  1 1 1     -24    3    8 o    2.212000      0.5801000       2.391000 0.8065000       2.032000      0.8341000      0.3586000       1.160000
  1 1 1     -24    3    9 o    5.559000      0.5840000       6.155000 0.6094000       4.964000      0.9964000       1.190000       1.168000
  1 1 1     -24    3   10 o    3.773000      0.7366000       3.414000 0.8958000       4.132000       1.170000     -0.7185000       1.473000
  1 1 1     -24    3   11 o    2.676000      0.6266000       2.313000 0.8548000       3.039000      0.9163000     -0.7258000       1.253000
  1 1 1     -24    3   12 o    7.875000      0.4459000       7.116000 0.6292000       8.634000      0.6321000      -1.518000      0.8919000
  1 1 1     -24    3   13 f    11.68000      0.4205000       11.91000 0.5851000       11.46000      0.6042000      0.4461000      0.8411000
  1 1 1     -24    3   14 o    6.038000      0.4037000       5.903000 0.5338000       6.172000      0.6058000     -0.2684000      0.8074000
  1 1 1     -24    3   15 o    2.420000      0.6453000       2.218000 0.8665000       2.621000      0.9563000     -0.4035000       1.291000
  1 1 1     -24    3   16 o    2.274000      0.6446000       2.110000 0.8491000       2.438000      0.9700000     -0.3277000       1.289000
  1 1 1     -24    3   17 o    7.337000      0.4875000       7.942000 0.4858000       6.732000      0.8453000       1.210000      0.9749000
  1 1 1     -24    3   18 o    13.80000      0.3693000       14.18000 0.4054000       13.42000      0.6173000      0.7517000      0.7386000
  1 1 1     -24    3   19 o    4.563000      0.4599000       4.503000 0.6546000       4.623000      0.6462000     -0.1197000      0.9198000
  1 1 1     -24    3   20 o    7.477000      0.3383000       7.525000 0.4871000       7.430000      0.4696000      0.9506000E-01  0.6766000
  1 1 1     -24    3   21 o    4.819000      0.4894000       4.558000 0.7495000       5.079000      0.6294000     -0.5209000      0.9787000
  1 1 1     -24    3   22 o    3.140000      0.6123000       3.542000 0.8328000       2.737000      0.8977000      0.8043000       1.225000
  1 1 1     -24    3   23 f    2.467000      0.5998000       1.950000 0.8275000       2.985000      0.8685000      -1.034000       1.200000
  1 1 1     -24    3   24 o    3.029000      0.6530000       3.296000 0.9016000       2.762000      0.9449000      0.5332000       1.306000
  1 1 1     -24    4    1 o    7.824000      0.2823000       7.924000 0.3588000       7.724000      0.4359000      0.2000000      0.5645000
  1 1 1     -24    4    2 o    16.04000      0.2833000       16.69000 0.3942000       15.40000      0.4070000       1.288000      0.5666000
  1 1 1     -24    4    3 o    9.793000      0.2600000       10.01000 0.3441000       9.573000      0.3899000      0.4393000      0.5200000
  1 1 1     -24    4    4 o    15.02000      0.2789000       14.88000 0.3737000       15.17000      0.4142000     -0.2903000      0.5579000
  1 1 1     -24    4    5 o    8.312000      0.2848000       8.294000 0.3603000       8.330000      0.4413000     -0.3602000E-01  0.5697000
  1 1 1     -24    4    6 o    4.620000      0.5797000       4.620000 0.5797000                  ?              ?              ?              ?
  1 1 1     -24    4    7 o    8.416000      0.3035000       8.774000 0.3839000       8.059000      0.4702000      0.7146000      0.6070000
  1 1 1     -24    4    8 o    4.665000       1.054000                  ?       ?   4.665000       1.054000                  ?              ?
  1 1 1     -24    4    9 o    2.529000      0.6695000       3.000000 0.9386000       2.058000      0.9548000      0.9420000       1.339000
  1 1 1     -24    4   10 o    2.791000      0.6013000       3.022000 0.7493000       2.560000      0.9407000      0.4611000       1.203000
  1 1 1     -24    4   11 o    2.566000      0.7123000       3.083000 1.086000       2.049000      0.9223000       1.034000       1.425000
  1 1 1     -24    4   12 o    3.403000      0.7137000       2.421000 1.016000       4.386000       1.002000      -1.965000       1.427000
  1 1 1     -24    4   13 o    2.533000      0.6255000       2.796000 0.8434000       2.270000      0.9240000      0.5267000       1.251000
  1 1 1     -24    4   14 f    6.102000      0.4034000       6.425000 0.5132000       5.778000      0.6225000      0.6465000      0.8068000
  1 1 1     -24    4   15 o    2.310000      0.5807000       2.897000 0.8428000       1.723000      0.7989000       1.174000       1.161000
  1 1 1     -24    4   16 o    6.613000      0.4044000       6.392000 0.5556000       6.833000      0.5878000     -0.4412000      0.8088000
  1 1 1     -24    4   17 o    12.52000      0.3025000       12.51000 0.4064000       12.54000      0.4481000     -0.3766000E-01  0.6050000
  1 1 1     -24    4   18 o    7.958000      0.3510000       8.016000 0.4447000       7.900000      0.5431000      0.1157000      0.7019000
  1 1 1     -24    4   19 o    3.653000      0.6086000       2.740000 0.9094000       4.566000      0.8090000      -1.827000       1.217000
  1 1 1     -24    4   20 o    5.383000      0.4538000       5.586000 0.5469000       5.179000      0.7242000      0.4076000      0.9075000
  1 1 1     -24    4   21 o    2.333000      0.6482000       2.240000 0.8795000       2.427000      0.9524000     -0.1864000       1.296000
  1 1 1     -24    4   22 o    1.789000      0.5609000       2.172000 0.8901000       1.405000      0.6828000      0.7673000       1.122000
  1 1 1     -24    4   23 o    1.723000      0.5506000       1.839000 0.8083000       1.607000      0.7480000      0.2321000       1.101000
  1 1 1     -24    4   24 o    2.737000      0.5905000       3.514000 0.8355000       1.959000      0.8348000       1.554000       1.181000
  1 1 1     -24    5    1 o    3.874000      0.4476000       3.194000 0.6497000       4.553000      0.6158000      -1.359000      0.8951000
  1 1 1     -24    5    2 o    10.53000      0.2624000       10.48000 0.3513000       10.58000      0.3898000     -0.9470000E-01  0.5247000
  1 1 1     -24    5    3 o    14.98000      0.2766000       14.98000 0.3746000       14.99000      0.4070000     -0.1848000E-01  0.5532000
  1 1 1     -24    5    4 o    10.00000      0.2719000       10.13000 0.3542000       9.875000      0.4127000      0.2576000      0.5439000
  1 1 1     -24    5    5 o    3.119000      0.5557000       3.224000 0.6983000       3.015000      0.8646000      0.2093000       1.111000
  1 1 1     -24    5    6 o    2.997000      0.7729000       2.997000 0.7729000                  ?              ?              ?              ?
  1 1 1     -24    5    7 o    5.466000      0.6108000       6.243000 0.6198000       4.689000       1.053000       1.554000       1.222000
  1 1 1     -24    5    8 o    4.407000       1.114000                  ?       ?   4.407000       1.114000                  ?              ?
  1 1 1     -24    5    9 o    3.032000      0.5574000       3.798000 0.6524000       2.267000      0.9039000       1.531000       1.115000
  1 1 1     -24    5   10 o    7.062000      0.5044000       7.788000 0.6251000       6.335000      0.7916000       1.453000       1.009000
  1 1 1     -24    5   11 o    3.956000      0.6894000       4.750000 0.8954000       3.162000       1.049000       1.589000       1.379000
  1 1 1     -24    5   12 o    3.575000      0.5908000       2.817000 0.8767000       4.333000      0.7921000      -1.516000       1.182000
  1 1 1     -24    5   13 o    6.189000      0.4021000       5.784000 0.5431000       6.594000      0.5932000     -0.8093000      0.8043000
  1 1 1     -24    5   14 o    6.268000      0.3992000       6.851000 0.4702000       5.686000      0.6452000       1.165000      0.7984000
  1 1 1     -24    5   15 f    2.622000      0.6594000       2.169000 0.8664000       3.075000      0.9942000     -0.9061000       1.319000
  1 1 1     -24    5   16 o    6.486000      0.4020000       6.432000 0.4988000       6.541000      0.6306000     -0.1091000      0.8040000
  1 1 1     -24    5   17 o    2.384000      0.6491000       2.098000 0.8526000       2.670000      0.9788000     -0.5712000       1.298000
  1 1 1     -24    5   18 o    2.595000      0.6442000       2.084000 0.8364000       3.107000      0.9800000      -1.023000       1.288000
  1 1 1     -24    5   19 o    3.308000      0.6092000       3.886000 0.7483000       2.730000      0.9615000       1.156000       1.218000
  1 1 1     -24    5   20 o    3.181000      0.6228000       3.742000 0.8146000       2.621000      0.9424000       1.121000       1.246000
  1 1 1     -24    5   21 o    2.049000      0.6052000       2.074000 0.8483000       2.025000      0.8634000      0.4827000E-01   1.210000
  1 1 1     -24    5   22 o    3.188000      0.6331000       3.672000 0.8454000       2.705000      0.9428000      0.9675000       1.266000
  1 1 1     -24    5   23 o    2.762000      0.6600000       2.967000 0.9441000       2.557000      0.9226000      0.4098000       1.320000
  1 1 1     -24    6    1 o    6.971000      0.2987000       6.821000 0.3755000       7.121000      0.4646000     -0.2995000      0.5974000
  1 1 1     -24    6    2 o    7.299000      0.2920000       7.613000 0.3639000       6.986000      0.4567000      0.6271000      0.5839000
  1 1 1     -24    6    3 o    5.048000      0.3817000       5.210000 0.4606000       4.887000      0.6087000      0.3221000      0.7633000
  1 1 1     -24    6    4 o    7.316000      0.2941000       6.715000 0.3877000       7.917000      0.4424000      -1.202000      0.5883000
  1 1 1     -24    6    5 o    8.159000      0.2952000       7.673000 0.3808000       8.645000      0.4512000     -0.9713000      0.5904000
  1 1 1     -24    6    6 o    5.509000      0.5965000       5.503000 0.6876000       5.515000      0.9750000     -0.1131000E-01   1.193000
  1 1 1     -24    6    7 o    3.385000      0.7297000       3.106000 0.8076000       3.665000       1.216000     -0.5588000       1.459000
  1 1 1     -24    6    8 o    2.533000      0.6081000       1.797000 0.7816000       3.269000      0.9316000      -1.472000       1.216000
  1 1 1     -24    6    9 o    5.434000      0.5804000       4.862000 0.8818000       6.006000      0.7549000      -1.144000       1.161000
  1 1 1     -24    6   10 o    5.662000      0.5555000       6.686000 0.6585000       4.639000      0.8948000       2.047000       1.111000
  1 1 1     -24    6   11 o    2.238000      0.6203000       1.959000 0.8141000       2.517000      0.9360000     -0.5581000       1.241000
  1 1 1     -24    6   12 o    2.710000      0.6459000       2.566000 0.8414000       2.854000      0.9801000     -0.2876000       1.292000
  1 1 1     -24    6   13 o    5.908000      0.4239000       6.234000 0.5011000       5.582000      0.6839000      0.6513000      0.8478000
  1 1 1     -24    6   14 f    3.772000      0.5837000       4.098000 0.6772000       3.446000      0.9510000      0.6522000       1.167000
  1 1 1     -24    6   15 o    4.140000      0.5911000       4.804000 0.6359000       3.476000      0.9966000       1.328000       1.182000
  1 1 1     -24    6   16 o    3.578000      0.6654000       3.464000 0.8703000       3.692000       1.007000     -0.2273000       1.331000
  1 1 1     -24    6   17 o    6.061000      0.4146000       6.015000 0.5496000       6.106000      0.6208000     -0.9107000E-01  0.8291000
  1 1 1     -24    6   18 o    2.657000      0.6174000       3.234000 0.8666000       2.079000      0.8798000       1.155000       1.235000
  1 1 1     -24    6   19 o    2.263000      0.6164000       1.689000 0.7685000       2.838000      0.9640000      -1.149000       1.233000
  1 1 1     -24    6   20 o    2.949000      0.6279000       2.506000 0.8919000       3.392000      0.8842000     -0.8853000       1.256000
  1 1 1     -24    6   21 f    1.946000      0.5880000       1.767000 0.7951000       2.126000      0.8666000     -0.3590000       1.176000
  1 1 1     -24    6   22 f    4.237000      0.5677000       4.176000 0.8138000       4.298000      0.7917000     -0.1219000       1.135000
  1 1 1     -24    7    1 o    13.06000      0.2667000       13.09000 0.3537000       13.04000      0.3992000      0.5359000E-01  0.5333000
  1 1 1     -24    7    2 o    5.305000      0.3691000       5.148000 0.4622000       5.461000      0.5756000     -0.3132000      0.7382000
  1 1 1     -24    7    3 o    4.327000      0.4506000       3.953000 0.6009000       4.701000      0.6717000     -0.7481000      0.9012000
  1 1 1     -24    7    4 o    3.820000      0.5265000       3.734000 0.6485000       3.906000      0.8297000     -0.1724000       1.053000
  1 1 1     -24    7    5 o    4.351000      0.6739000       3.523000 0.9212000       5.179000      0.9840000      -1.656000       1.348000
  1 1 1     -24    7    6 o    1.805000      0.5464000       2.082000 0.8111000       1.528000      0.7324000      0.5543000       1.093000
  1 1 1     -24    7    7 o    6.376000      0.3832000       6.582000 0.4697000       6.170000      0.6056000      0.4122000      0.7664000
  1 1 1     -24    7    8 o    3.254000      0.7485000       3.180000 1.053000       3.328000       1.064000     -0.1475000       1.497000
  1 1 1     -24    7    9 o    4.263000      0.6091000       4.458000 0.6530000       4.068000       1.029000      0.3907000       1.218000
  1 1 1     -24    7   10 o    3.014000      0.6320000       2.581000 0.8678000       3.447000      0.9192000     -0.8657000       1.264000
  1 1 1     -24    7   11 o    5.135000      0.4452000       5.168000 0.5749000       5.103000      0.6798000      0.6485000E-01  0.8904000
  1 1 1     -24    7   12 f    4.327000      0.5072000       4.147000 0.6283000       4.506000      0.7964000     -0.3596000       1.014000
  1 1 1     -24    7   13 o    5.272000      0.4447000       5.081000 0.5713000       5.463000      0.6818000     -0.3825000      0.8895000
  1 1 1     -24    7   14 o    6.797000      0.3763000       6.600000 0.4907000       6.993000      0.5707000     -0.3935000      0.7527000
  1 1 1     -24    7   15 o    5.131000      0.4799000       5.050000 0.5898000       5.212000      0.7573000     -0.1617000      0.9599000
  1 1 1     -24    7   16 o    3.585000      0.6306000       3.249000 0.8493000       3.921000      0.9324000     -0.6713000       1.261000
  1 1 1     -24    7   17 o    5.944000      0.4318000       6.111000 0.5527000       5.777000      0.6635000      0.3343000      0.8635000
  1 1 1     -24    7   18 o    2.177000      0.6248000       2.357000 0.8854000       1.997000      0.8819000      0.3600000       1.250000
  1 1 1     -24    7   19 o    3.164000      0.6159000       3.896000 0.8221000       2.432000      0.9174000       1.465000       1.232000
  1 1 1     -24    7   20 o    2.272000      0.6174000       2.707000 0.9262000       1.836000      0.8167000      0.8708000       1.235000
  1 1 1     -24    7   21 o    2.905000      0.6604000       2.652000 0.9484000       3.158000      0.9192000     -0.5061000       1.321000
  1 1 1     -24    8    1 o    5.566000      0.3667000       5.142000 0.4725000       5.990000      0.5608000     -0.8478000      0.7334000
  1 1 1     -24    8    2 o    2.920000      0.5959000       3.065000 0.7518000       2.775000      0.9249000      0.2891000       1.192000
  1 1 1     -24    8    3 o    4.436000      0.6618000       4.430000 0.7634000       4.442000       1.081000     -0.1111000E-01   1.324000
  1 1 1     -24    8    4 o    6.900000      0.5279000       7.894000 0.5216000       5.905000      0.9180000       1.989000       1.056000
  1 1 1     -24    8    5 o    5.376000      0.4065000       5.307000 0.5152000       5.446000      0.6290000     -0.1385000      0.8131000
  1 1 1     -24    8    6 o    4.514000      0.4824000       4.587000 0.6079000       4.441000      0.7491000      0.1462000      0.9647000
  1 1 1     -24    8    7 o    7.200000      0.6325000       7.200000 0.6325000                  ?              ?              ?              ?
  1 1 1     -24    8    8 o    2.026000      0.6020000       1.961000 0.8110000       2.091000      0.8898000     -0.1295000       1.204000
  1 1 1     -24    8    9 o    6.038000      0.6133000                  ?       ?   6.038000      0.6133000                  ?              ?
  1 1 1     -24    8   10 f    3.379000      0.6182000       3.594000 0.7770000       3.165000      0.9617000      0.4297000       1.236000
  1 1 1     -24    8   11 o    5.480000      0.4312000       4.848000 0.6302000       6.111000      0.5887000      -1.262000      0.8624000
  1 1 1     -24    8   12 f    3.968000      0.5777000       4.043000 0.7292000       3.893000      0.8962000      0.1503000       1.155000
  1 1 1     -24    8   13 o    3.247000      0.6473000       3.133000 0.8591000       3.360000      0.9683000     -0.2269000       1.295000
  1 1 1     -24    8   14 o    2.762000      0.6619000       2.520000 0.8823000       3.004000      0.9870000     -0.4843000       1.324000
  1 1 1     -24    8   15 o    2.658000      0.6267000       1.962000 0.8025000       3.355000      0.9628000      -1.393000       1.253000
  1 1 1     -24    8   16 o    2.279000      0.6088000       2.717000 0.8795000       1.840000      0.8420000      0.8775000       1.218000
  1 1 1     -24    8   17 o    2.313000      0.6284000       1.952000 0.8135000       2.673000      0.9580000     -0.7208000       1.257000
  1 1 1     -24    8   18 f    4.393000      0.5522000       4.818000 0.6670000       3.969000      0.8802000      0.8485000       1.104000
  1 1 1     -24    8   19 o    2.643000      0.6529000       2.243000 0.8857000       3.043000      0.9597000     -0.8005000       1.306000
  1 1 1     -24    8   20 o    2.364000      0.6289000       1.838000 0.8152000       2.889000      0.9579000      -1.051000       1.258000
  1 1 1     -24    9    1 o    3.071000      0.6135000       2.950000 0.8486000       3.192000      0.8861000     -0.2423000       1.227000
  1 1 1     -24    9    2 o    7.147000      0.4469000       6.942000 0.5501000       7.351000      0.7044000     -0.4090000      0.8937000
  1 1 1     -24    9    3 o    7.016000      0.4694000       7.296000 0.5378000       6.736000      0.7695000      0.5604000      0.9388000
  1 1 1     -24    9    4 o    2.442000      0.5973000       1.764000 0.7420000       3.119000      0.9362000      -1.355000       1.195000
  1 1 1     -24    9    5 o    1.973000      0.6267000       2.124000 0.9045000       1.821000      0.8678000      0.3025000       1.253000
  1 1 1     -24    9    6 o    4.458000      0.6844000       4.066000 0.9560000       4.850000      0.9796000     -0.7837000       1.369000
  1 1 1     -24    9    7 o    1.825000      0.7731000       1.825000 0.7731000                  ?              ?              ?              ?
  1 1 1     -24    9    8 o    3.278000      0.6315000       2.565000 0.8653000       3.990000      0.9201000      -1.424000       1.263000
  1 1 1     -24    9    9 o    3.522000      0.9658000                  ?       ?   3.522000      0.9658000                  ?              ?
  1 1 1     -24    9   10 o    2.301000      0.6019000       2.822000 0.8835000       1.781000      0.8177000       1.042000       1.204000
  1 1 1     -24    9   11 o    3.083000      0.6192000       3.782000 0.7899000       2.383000      0.9538000       1.399000       1.238000
  1 1 1     -24    9   12 f    3.821000      0.5923000       3.092000 0.8384000       4.549000      0.8369000      -1.457000       1.185000
  1 1 1     -24    9   13 f    2.408000      0.5638000       3.200000 0.8198000       1.617000      0.7742000       1.584000       1.128000
  1 1 1     -24    9   14 f    4.292000      0.5778000       4.990000 0.5974000       3.595000      0.9891000       1.395000       1.156000
  1 1 1     -24    9   15 o    2.010000      0.6111000       1.899000 0.8126000       2.122000      0.9130000     -0.2232000       1.222000
  1 1 1     -24    9   16 o    4.760000      0.4966000       4.877000 0.6311000       4.643000      0.7670000      0.2335000      0.9933000
  1 1 1     -24    9   17 o    2.955000      0.6633000       2.716000 0.9086000       3.193000      0.9665000     -0.4770000       1.327000
  1 1 1     -24    9   18 o    2.295000      0.5941000       1.561000 0.7359000       3.029000      0.9330000      -1.468000       1.188000
  1 1 1     -24    9   19 o    1.953000      0.5770000       1.415000 0.6758000       2.492000      0.9353000      -1.077000       1.154000
  1 1 1     -24   10    1 o    5.674000      0.5088000       5.615000 0.6035000       5.733000      0.8192000     -0.1179000       1.018000
  1 1 1     -24   10    2 o    2.370000      0.6302000       2.118000 0.8545000       2.623000      0.9266000     -0.5058000       1.260000
  1 1 1     -24   10    3 o    2.840000      0.6091000       3.674000 0.8693000       2.006000      0.8534000       1.668000       1.218000
  1 1 1     -24   10    4 o    3.632000      0.8684000       3.482000 1.333000       3.781000       1.113000     -0.2988000       1.737000
  1 1 1     -24   10    5 o    3.868000      0.5589000       5.201000 0.6143000       2.536000      0.9340000       2.665000       1.118000
  1 1 1     -24   10    6 o    5.069000      0.5400000       4.309000 0.8893000       5.828000      0.6129000      -1.518000       1.080000
  1 1 1     -24   10    7 o    1.804000      0.5598000       1.870000 0.7794000       1.737000      0.8037000      0.1330000       1.120000
  1 1 1     -24   10    8 o    2.939000      0.5983000       3.328000 0.7451000       2.550000      0.9363000      0.7784000       1.197000
  1 1 1     -24   10    9 o    4.641000      0.4860000       4.653000 0.5984000       4.629000      0.7659000      0.2472000E-01  0.9720000
  1 1 1     -24   10   10 o    2.433000      0.5957000       1.607000 0.7287000       3.259000      0.9426000      -1.652000       1.191000
  1 1 1     -24   10   11 o    7.401000      0.4219000       7.992000 0.4166000       6.810000      0.7339000       1.182000      0.8439000
  1 1 1     -24   10   12 o    5.199000      0.4424000       4.816000 0.5772000       5.582000      0.6707000     -0.7660000      0.8849000
  1 1 1     -24   10   13 o    2.565000      0.6360000       2.667000 0.8412000       2.463000      0.9542000      0.2031000       1.272000
  1 1 1     -24   10   14 o    2.096000      0.6102000       2.143000 0.8415000       2.050000      0.8839000      0.9296000E-01   1.220000
  1 1 1     -24   10   15 o    2.298000      0.6338000       2.108000 0.8518000       2.489000      0.9388000     -0.3804000       1.268000
  1 1 1     -24   10   16 o    2.169000      0.6202000       2.175000 0.8496000       2.163000      0.9037000      0.1109000E-01   1.240000
  1 1 1     -24   10   17 o    3.266000      0.6349000       3.306000 0.8844000       3.227000      0.9111000      0.7911000E-01   1.270000
  1 1 1     -24   11    1 o    7.114000      0.3370000       7.302000 0.4634000       6.927000      0.4893000      0.3756000      0.6740000
  1 1 1     -24   11    2 o    2.582000      0.7544000       2.349000 1.095000       2.816000       1.038000     -0.4665000       1.509000
  1 1 1     -24   11    3 f    2.674000      0.7949000       2.978000 1.262000       2.369000      0.9666000      0.6096000       1.590000
  1 1 1     -24   11    4 o    7.249000      0.3493000       7.207000 0.5029000       7.290000      0.4849000     -0.8253000E-01  0.6986000
  1 1 1     -24   11    5 o    5.149000      0.4574000       5.695000 0.5745000       4.602000      0.7120000       1.093000      0.9149000
  1 1 1     -24   11    6 o    3.035000      0.5869000       3.961000 0.7721000       2.110000      0.8841000       1.851000       1.174000
  1 1 1     -24   11    7 o    5.483000      0.4566000       5.121000 0.6852000       5.844000      0.6035000     -0.7229000      0.9131000
  1 1 1     -24   11    8 o    6.376000      0.3965000       6.406000 0.5518000       6.347000      0.5696000      0.5867000E-01  0.7931000
  1 1 1     -24   11    9 o    2.741000      0.6227000       2.224000 0.8296000       3.258000      0.9288000      -1.034000       1.245000
  1 1 1     -24   11   10 o    2.507000      0.6189000       2.834000 0.8625000       2.180000      0.8877000      0.6538000       1.238000
  1 1 1     -24   11   11 f    7.781000      0.3377000       7.877000 0.4432000       7.684000      0.5097000      0.1937000      0.6755000
  1 1 1     -24   11   12 o    6.404000      0.3952000       6.516000 0.5132000       6.292000      0.6012000      0.2239000      0.7904000
  1 1 1     -24   11   13 o    4.624000      0.5416000       5.077000 0.6312000       4.171000      0.8804000      0.9060000       1.083000
  1 1 1     -24   11   14 o    4.013000      0.5934000       4.206000 0.7568000       3.819000      0.9141000      0.3865000       1.187000
  1 1 1     -24   11   15 o    3.069000      0.6743000       2.923000 0.9386000       3.216000      0.9682000     -0.2928000       1.349000
  1 1 1     -24   11   16 o    2.655000      0.6806000       2.209000 0.9501000       3.101000      0.9747000     -0.8911000       1.361000
  1 1 1     -24   12    1 o    4.835000      0.7623000       4.498000 1.247000       5.171000      0.8770000     -0.6722000       1.525000
  1 1 1     -24   12    2 o    3.252000      0.6423000       3.510000 0.8709000       2.993000      0.9444000      0.5163000       1.285000
  1 1 1     -24   12    3 f    2.940000      0.6392000       3.152000 0.8604000       2.728000      0.9455000      0.4242000       1.278000
  1 1 1     -24   12    4 o    3.624000      0.6041000       4.071000 0.7539000       3.177000      0.9441000      0.8940000       1.208000
  1 1 1     -24   12    5 o    4.528000      0.5263000       3.814000 0.8376000       5.243000      0.6377000      -1.428000       1.053000
  1 1 1     -24   12    6 o    5.782000      0.4237000       5.993000 0.5679000       5.571000      0.6291000      0.4218000      0.8475000
  1 1 1     -24   12    7 o    2.871000      0.6445000       3.264000 0.8829000       2.479000      0.9392000      0.7853000       1.289000
  1 1 1     -24   12    8 o    3.983000      0.8064000       3.983000 0.8064000                  ?              ?              ?              ?
  1 1 1     -24   12    9 o    2.579000      0.6353000       3.055000 0.9135000       2.102000      0.8833000      0.9529000       1.271000
  1 1 1     -24   12   10 o    2.907000      0.9562000                  ?       ?   2.907000      0.9562000                  ?              ?
  1 1 1     -24   12   11 o    5.518000      0.5065000       6.445000 0.6827000       4.591000      0.7484000       1.854000       1.013000
  1 1 1     -24   12   12 o    2.987000      0.6525000       3.241000 0.8972000       2.733000      0.9477000      0.5085000       1.305000
  1 1 1     -24   12   13 o    3.822000      0.6093000       4.151000 0.8047000       3.494000      0.9152000      0.6578000       1.219000
  1 1 1     -24   12   14 o    1.869000      0.5791000       2.230000 0.9057000       1.507000      0.7219000      0.7239000       1.158000
  1 1 1     -24   13    1 o    6.341000      0.3856000       6.172000 0.5748000       6.510000      0.5142000     -0.3380000      0.7712000
  1 1 1     -24   13    2 o    1.943000      0.5950000       1.738000 0.7952000       2.148000      0.8853000     -0.4100000       1.190000
  1 1 1     -24   13    3 o    3.103000      0.6423000       2.733000 0.8951000       3.472000      0.9215000     -0.7384000       1.285000
  1 1 1     -24   13    4 o    2.970000      0.6114000       3.504000 0.7947000       2.437000      0.9293000       1.067000       1.223000
  1 1 1     -24   13    5 o    4.254000      0.5522000       4.952000 0.6623000       3.555000      0.8839000       1.397000       1.104000
  1 1 1     -24   13    6 o    2.588000      0.6529000       2.721000 0.9184000       2.455000      0.9282000      0.2656000       1.306000
  1 1 1     -24   13    7 o    2.280000      0.6363000       2.180000 0.8639000       2.380000      0.9344000     -0.2003000       1.273000
  1 1 1     -24   13    8 o    3.111000      0.9179000       3.111000 0.9179000                  ?              ?              ?              ?
  1 1 1     -24   13    9 o    3.043000      0.6508000       3.611000 0.8851000       2.474000      0.9545000       1.137000       1.302000
  1 1 1     -24   13   10 o    3.469000      0.6556000       4.200000 0.8892000       2.737000      0.9637000       1.462000       1.311000
  1 1 1     -24   13   11 o    3.907000      0.5917000       3.824000 0.8422000       3.989000      0.8314000     -0.1645000       1.183000
  1 1 1     -24   13   12 o    2.070000      0.6676000       1.604000 0.7875000       2.536000       1.078000     -0.9322000       1.335000
  1 1 1     -24   14    1 o    1.994000      0.6032000       2.183000 0.8932000       1.805000      0.8110000      0.3777000       1.206000
  1 1 1     -24   14    2 o    2.901000      0.6411000       3.277000 0.8673000       2.525000      0.9443000      0.7520000       1.282000
  1 1 1     -24   14    3 o    2.712000      0.6489000       3.154000 0.9169000       2.271000      0.9185000      0.8837000       1.298000
  1 1 1     -24   14    4 f    2.794000      0.6318000       3.398000 0.8788000       2.189000      0.9081000       1.209000       1.264000
  1 1 1     -24   14    5 o    2.328000      0.6388000       2.563000 0.9335000       2.094000      0.8722000      0.4691000       1.278000
  1 1 1     -24   14    6 o    3.084000      0.6515000       2.807000 0.9415000       3.360000      0.9007000     -0.5524000       1.303000
  1 1 1     -24   14    7 o    2.736000      0.6651000       2.902000 0.9287000       2.569000      0.9524000      0.3327000       1.330000
  1 1 1     -24   14    8 o    2.759000      0.6618000       3.274000 0.9392000       2.245000      0.9325000       1.029000       1.324000
  1 1 1     -24   14    9 o    2.949000      0.8162000       2.551000 1.097000       3.347000       1.209000     -0.7961000       1.632000
  1 1 1     -24   15    1 o    4.098000      0.5712000       3.271000 0.8807000       4.925000      0.7277000      -1.653000       1.142000
  1 1 1     -24   15    2 o    2.283000      0.6465000       2.089000 0.8729000       2.478000      0.9538000     -0.3892000       1.293000
  1 1 1     -24   15    3 o    3.560000      0.6328000       4.033000 0.8155000       3.088000      0.9678000      0.9446000       1.266000
  1 1 1     -24   15    4 o    3.277000       1.190000       3.277000 1.190000                  ?              ?              ?              ?
  1 1 1     -23  -36    1 o    2.036000      0.6362000       2.340000 0.9651000       1.731000      0.8291000      0.6087000       1.272000
  1 1 1     -23  -36    2 o    2.643000      0.6547000       3.513000 0.9964000       1.772000      0.8496000       1.741000       1.309000
  1 1 1     -23  -36    3 o    2.986000      0.7218000       3.449000 1.020000       2.523000       1.021000      0.9261000       1.444000
  1 1 1     -23  -36    4 o    2.465000      0.7090000       2.270000 0.9692000       2.661000       1.035000     -0.3905000       1.418000
  1 1 1     -23  -36    5 o    2.934000       1.260000       2.934000 1.260000                  ?              ?              ?              ?
  1 1 1     -23  -35    1 o    2.578000      0.6788000       1.863000 0.8558000       3.292000       1.054000      -1.429000       1.358000
  1 1 1     -23  -35    2 o    2.823000      0.6685000       3.538000 0.9622000       2.108000      0.9282000       1.431000       1.337000
  1 1 1     -23  -35    3 o    2.505000      0.6963000       2.221000 0.9220000       2.790000       1.044000     -0.5693000       1.393000
  1 1 1     -23  -35    4 o    2.575000      0.6538000       3.238000 0.9602000       1.912000      0.8876000       1.326000       1.308000
  1 1 1     -23  -35    5 o    2.207000      0.6627000       2.622000 1.024000       1.791000      0.8413000      0.8308000       1.325000
  1 1 1     -23  -35    6 o    2.388000      0.7035000       2.500000 1.012000       2.277000      0.9774000      0.2233000       1.407000
  1 1 1     -23  -35    7 o    2.993000      0.7496000       2.708000 1.011000       3.278000       1.107000     -0.5698000       1.499000
  1 1 1     -23  -35    8 o    2.813000      0.7445000       2.352000 0.9982000       3.274000       1.105000     -0.9215000       1.489000
  1 1 1     -23  -35    9 f    2.632000      0.6808000       1.829000 0.8503000       3.435000       1.063000      -1.606000       1.362000
  1 1 1     -23  -34    1 o    5.170000      0.5522000       5.857000 0.6143000       4.482000      0.9177000       1.375000       1.104000
  1 1 1     -23  -34    2 o    2.628000      0.6866000       2.719000 0.9456000       2.537000      0.9956000      0.1821000       1.373000
  1 1 1     -23  -34    3 f    2.788000      0.7112000       2.499000 0.9752000       3.077000       1.035000     -0.5781000       1.422000
  1 1 1     -23  -34    4 o    2.036000      0.6423000       1.914000 0.8692000       2.157000      0.9459000     -0.2430000       1.285000
  1 1 1     -23  -34    5 o    2.059000      0.6097000       2.567000 0.9568000       1.552000      0.7561000       1.015000       1.219000
  1 1 1     -23  -34    6 o    2.607000      0.6496000       3.317000 0.9568000       1.896000      0.8790000       1.421000       1.299000
  1 1 1     -23  -34    7 o    4.001000      0.6997000       4.552000 0.8734000       3.451000       1.093000       1.101000       1.399000
  1 1 1     -23  -34    8 o    1.989000      0.6394000       1.721000 0.8062000       2.257000      0.9927000     -0.5359000       1.279000
  1 1 1     -23  -34    9 o    2.087000      0.6475000       1.805000 0.8375000       2.369000      0.9877000     -0.5642000       1.295000
  1 1 1     -23  -34   10 o    3.303000      0.7590000       3.094000 1.020000       3.513000       1.125000     -0.4190000       1.518000
  1 1 1     -23  -34   11 o    2.452000      0.6680000       3.250000 1.069000       1.654000      0.8019000       1.596000       1.336000
  1 1 1     -23  -34   12 o    3.041000      0.7210000       2.513000 0.9574000       3.569000       1.078000      -1.056000       1.442000
  1 1 1     -23  -33    1 o    4.045000      0.6111000       3.992000 0.8405000       4.097000      0.8873000     -0.1043000       1.222000
  1 1 1     -23  -33    2 o    2.793000      0.7011000       2.660000 0.9594000       2.926000       1.023000     -0.2658000       1.402000
  1 1 1     -23  -33    3 o    1.898000      0.6046000       1.933000 0.8532000       1.863000      0.8569000      0.7006000E-01   1.209000
  1 1 1     -23  -33    4 o    2.794000      0.6882000       3.192000 0.9680000       2.395000      0.9785000      0.7978000       1.376000
  1 1 1     -23  -33    5 o    2.760000      0.7040000       2.997000 0.9880000       2.523000       1.003000      0.4747000       1.408000
  1 1 1     -23  -33    6 o    4.864000      0.6091000       4.871000 0.8225000       4.857000      0.8985000      0.1401000E-01   1.218000
  1 1 1     -23  -33    7 o    5.082000      0.5639000       5.175000 0.7254000       4.990000      0.8635000      0.1851000       1.128000
  1 1 1     -23  -33    8 f    2.596000      0.6723000       1.865000 0.8563000       3.327000       1.037000      -1.461000       1.345000
  1 1 1     -23  -33    9 o    2.426000      0.6477000       3.168000 1.010000       1.685000      0.8109000       1.483000       1.295000
  1 1 1     -23  -33   10 o    2.533000      0.7084000       2.246000 0.9228000       2.820000       1.075000     -0.5745000       1.417000
  1 1 1     -23  -33   11 o    2.681000      0.7305000       2.358000 0.9779000       3.005000       1.085000     -0.6469000       1.461000
  1 1 1     -23  -33   12 o    2.158000      0.6532000       1.607000 0.7707000       2.710000       1.055000      -1.103000       1.306000
  1 1 1     -23  -33   13 o    3.247000      0.6996000       2.138000 0.9294000       4.356000       1.046000      -2.217000       1.399000
  1 1 1     -23  -33   14 o    2.586000      0.7152000       2.056000 0.9258000       3.115000       1.090000      -1.059000       1.430000
  1 1 1     -23  -32    1 o    3.058000      0.6410000       3.165000 0.8607000       2.951000      0.9502000      0.2142000       1.282000
  1 1 1     -23  -32    2 o    2.119000      0.6235000       1.978000 0.8328000       2.261000      0.9282000     -0.2832000       1.247000
  1 1 1     -23  -32    3 o    2.441000      0.6672000       2.306000 0.9156000       2.575000      0.9707000     -0.2686000       1.334000
  1 1 1     -23  -32    4 o    2.951000      0.6827000       2.890000 0.9641000       3.011000      0.9667000     -0.1204000       1.365000
  1 1 1     -23  -32    5 o    3.023000      0.6002000       4.110000 0.8285000       1.935000      0.8686000       2.175000       1.200000
  1 1 1     -23  -32    6 o    2.679000      0.6770000       3.130000 0.9524000       2.228000      0.9625000      0.9020000       1.354000
  1 1 1     -23  -32    7 o    2.244000      0.6365000       2.582000 0.9219000       1.907000      0.8779000      0.6749000       1.273000
  1 1 1     -23  -32    8 o    2.631000      0.7049000       2.818000 0.9934000       2.444000       1.000000      0.3741000       1.410000
  1 1 1     -23  -32    9 o    2.430000      0.6897000       2.302000 0.9287000       2.558000       1.020000     -0.2569000       1.379000
  1 1 1     -23  -32   10 o    3.205000      0.6736000       3.831000 0.8679000       2.578000       1.030000       1.253000       1.347000
  1 1 1     -23  -32   11 o    3.231000      0.6898000       2.232000 0.9269000       4.230000       1.022000      -1.997000       1.380000
  1 1 1     -23  -32   12 o    2.105000      0.6401000       2.404000 0.9570000       1.807000      0.8505000      0.5970000       1.280000
  1 1 1     -23  -32   13 o    2.747000      0.6926000       2.226000 0.9176000       3.267000       1.038000      -1.041000       1.385000
  1 1 1     -23  -32   14 o    3.406000      0.7407000       3.478000 1.034000       3.334000       1.061000      0.1439000       1.481000
  1 1 1     -23  -32   15 o    2.398000      0.6975000       2.257000 0.9462000       2.540000       1.025000     -0.2831000       1.395000
  1 1 1     -23  -32   16 o    2.493000      0.7060000       2.441000 0.9663000       2.545000       1.029000     -0.1037000       1.412000
  1 1 1     -23  -31    1 o    4.069000      0.5388000       4.132000 0.7451000       4.006000      0.7785000      0.1255000       1.078000
  1 1 1     -23  -31    2 o    5.114000      0.4555000       4.999000 0.6363000       5.228000      0.6519000     -0.2292000      0.9109000
  1 1 1     -23  -31    3 o    6.406000      0.3991000       7.224000 0.4849000       5.588000      0.6341000       1.636000      0.7982000
  1 1 1     -23  -31    4 o    4.858000      0.5249000       5.264000 0.6770000       4.452000      0.8024000      0.8122000       1.050000
  1 1 1     -23  -31    5 o    3.047000      0.6836000       3.325000 0.9496000       2.768000      0.9837000      0.5572000       1.367000
  1 1 1     -23  -31    6 o    3.058000      0.6716000       3.288000 0.9053000       2.828000      0.9924000      0.4607000       1.343000
  1 1 1     -23  -31    7 o    2.820000      0.6503000       3.334000 0.8673000       2.307000      0.9692000       1.027000       1.301000
  1 1 1     -23  -31    8 o    2.454000      0.6783000       2.617000 0.9592000       2.291000      0.9593000      0.3260000       1.357000
  1 1 1     -23  -31    9 o    3.625000      0.6537000       4.277000 0.7989000       2.972000       1.035000       1.305000       1.307000
  1 1 1     -23  -31   10 o    3.184000      0.6738000       3.421000 0.8779000       2.947000       1.023000      0.4739000       1.348000
  1 1 1     -23  -31   11 o    3.513000      0.7026000       2.891000 0.9727000       4.135000       1.014000      -1.244000       1.405000
  1 1 1     -23  -31   12 o    2.701000      0.7077000       2.222000 0.9285000       3.180000       1.068000     -0.9588000       1.415000
  1 1 1     -23  -31   13 f    2.416000      0.6803000       2.766000 0.9895000       2.067000      0.9340000      0.6990000       1.361000
  1 1 1     -23  -31   14 o    2.236000      0.6687000       2.137000 0.9216000       2.336000      0.9691000     -0.1985000       1.337000
  1 1 1     -23  -31   15 o    2.292000      0.6734000       1.919000 0.8663000       2.664000       1.031000     -0.7451000       1.347000
  1 1 1     -23  -31   16 o    2.519000      0.7007000       2.773000 1.001000       2.265000      0.9807000      0.5084000       1.401000
  1 1 1     -23  -31   17 o    2.589000      0.7156000       2.658000 1.004000       2.520000       1.020000      0.1377000       1.431000
  1 1 1     -23  -31   18 o    2.327000      0.7412000       2.633000 1.166000       2.020000      0.9154000      0.6127000       1.482000
  1 1 1     -23  -30    1 o    1.853000      0.5629000       2.145000 0.8536000       1.562000      0.7341000      0.5836000       1.126000
  1 1 1     -23  -30    2 o    3.189000      0.6293000       3.229000 0.8752000       3.148000      0.9045000      0.8064000E-01   1.259000
  1 1 1     -23  -30    3 o    2.741000      0.6368000       3.209000 0.8853000       2.273000      0.9155000      0.9359000       1.274000
  1 1 1     -23  -30    4 o    6.064000      0.4308000       6.708000 0.5177000       5.420000      0.6888000       1.288000      0.8617000
  1 1 1     -23  -30    5 o    4.453000      0.5561000       4.355000 0.7605000       4.551000      0.8116000     -0.1968000       1.112000
  1 1 1     -23  -30    6 o    3.568000      0.6032000       4.556000 0.7298000       2.580000      0.9606000       1.975000       1.206000
  1 1 1     -23  -30    7 o    1.976000      0.6023000       1.969000 0.8331000       1.983000      0.8701000     -0.1427000E-01   1.205000
  1 1 1     -23  -30    8 o    3.584000      0.6499000       4.054000 0.8221000       3.115000       1.007000      0.9396000       1.300000
  1 1 1     -23  -30    9 o    2.519000      0.6927000       2.477000 0.9370000       2.560000       1.021000     -0.8276000E-01   1.385000
  1 1 1     -23  -30   10 o    3.022000      0.6229000       3.873000 0.8183000       2.171000      0.9393000       1.702000       1.246000
  1 1 1     -23  -30   11 o    5.323000      0.5184000       5.724000 0.6041000       4.923000      0.8425000      0.8007000       1.037000
  1 1 1     -23  -30   12 o    4.500000      0.5821000       3.837000 0.8762000       5.162000      0.7666000      -1.326000       1.164000
  1 1 1     -23  -30   13 o    3.100000      0.7159000       3.313000 0.9519000       2.888000       1.070000      0.4251000       1.432000
  1 1 1     -23  -30   14 o    2.828000      0.6632000       3.782000 1.003000       1.874000      0.8684000       1.908000       1.326000
  1 1 1     -23  -30   15 o    4.550000      0.6135000       4.952000 0.7698000       4.148000      0.9556000      0.8043000       1.227000
  1 1 1     -23  -30   16 o    3.539000      0.7082000       4.056000 0.9221000       3.022000       1.075000       1.033000       1.416000
  1 1 1     -23  -30   17 o    2.249000      0.6872000       2.076000 0.9239000       2.422000       1.018000     -0.3468000       1.374000
  1 1 1     -23  -30   18 o    2.600000      0.7144000       2.369000 0.9706000       2.831000       1.048000     -0.4623000       1.429000
  1 1 1     -23  -30   19 o    4.221000      0.6962000       4.500000 0.9405000       3.942000       1.027000      0.5577000       1.392000
  1 1 1     -23  -29    1 o    2.488000      0.6886000       2.645000 0.9211000       2.332000       1.024000      0.3134000       1.377000
  1 1 1     -23  -29    2 o    6.049000      0.5479000       6.463000 0.5728000       5.636000      0.9341000      0.8274000       1.096000
  1 1 1     -23  -29    3 o    5.028000      0.6400000       4.959000 0.7385000       5.097000       1.045000     -0.1384000       1.280000
  1 1 1     -23  -29    4 o    4.574000      0.5182000       5.314000 0.5948000       3.834000      0.8488000       1.479000       1.036000
  1 1 1     -23  -29    5 o    3.978000      0.5874000       3.841000 0.8079000       4.116000      0.8529000     -0.2749000       1.175000
  1 1 1     -23  -29    6 o    3.853000      0.6096000       4.524000 0.6993000       3.182000      0.9988000       1.342000       1.219000
  1 1 1     -23  -29    7 o    3.514000      0.5962000       4.533000 0.6889000       2.494000      0.9733000       2.039000       1.192000
  1 1 1     -23  -29    8 o    3.835000      0.6164000       3.770000 0.8165000       3.901000      0.9236000     -0.1308000       1.233000
  1 1 1     -23  -29    9 o    2.404000      0.6617000       2.263000 0.8913000       2.546000      0.9782000     -0.2833000       1.323000
  1 1 1     -23  -29   10 o    3.583000      0.6534000       3.111000 0.9066000       4.055000      0.9412000     -0.9438000       1.307000
  1 1 1     -23  -29   11 o    3.413000      0.7077000       3.174000 0.9620000       3.651000       1.038000     -0.4777000       1.415000
  1 1 1     -23  -29   12 o    2.900000      0.6765000       3.394000 0.9231000       2.405000      0.9891000      0.9887000       1.353000
  1 1 1     -23  -29   13 o    3.587000      0.7013000       3.431000 0.9701000       3.743000       1.013000     -0.3127000       1.403000
  1 1 1     -23  -29   14 o    2.922000      0.7052000       3.201000 0.9742000       2.643000       1.020000      0.5571000       1.410000
  1 1 1     -23  -29   15 o    4.520000      0.6383000       5.124000 0.7493000       3.916000       1.034000       1.208000       1.277000
  1 1 1     -23  -29   16 o    6.699000      0.4622000       6.665000 0.6467000       6.733000      0.6604000     -0.6804000E-01  0.9243000
  1 1 1     -23  -29   17 o    3.776000      0.7067000       4.136000 0.9099000       3.415000       1.082000      0.7212000       1.413000
  1 1 1     -23  -29   18 o    2.536000      0.7263000       2.270000 0.9670000       2.803000       1.084000     -0.5333000       1.453000
  1 1 1     -23  -29   19 o    3.125000      0.7366000       3.609000 1.053000       2.641000       1.031000      0.9679000       1.473000
  1 1 1     -23  -29   20 o    3.575000      0.6988000       3.019000 1.013000       4.131000      0.9624000      -1.111000       1.398000
  1 1 1     -23  -28    1 o    4.384000      0.5276000       5.053000 0.5578000       3.715000      0.8958000       1.338000       1.055000
  1 1 1     -23  -28    2 o    4.566000      0.4534000       4.507000 0.5833000       4.626000      0.6943000     -0.1188000      0.9068000
  1 1 1     -23  -28    3 o    5.448000      0.4221000       5.790000 0.5088000       5.106000      0.6738000      0.6836000      0.8443000
  1 1 1     -23  -28    4 o    7.327000      0.4352000       6.560000 0.5438000       8.094000      0.6796000      -1.534000      0.8704000
  1 1 1     -23  -28    5 o    6.785000      0.4927000       6.263000 0.6294000       7.307000      0.7583000      -1.044000      0.9855000
  1 1 1     -23  -28    6 o    7.652000      0.3495000       7.846000 0.4621000       7.458000      0.5245000      0.3873000      0.6990000
  1 1 1     -23  -28    7 o    7.314000      0.3581000       7.259000 0.4801000       7.369000      0.5313000     -0.1101000      0.7161000
  1 1 1     -23  -28    8 o    2.702000      0.6521000       2.792000 0.8739000       2.611000      0.9680000      0.1816000       1.304000
  1 1 1     -23  -28    9 o    4.099000      0.5991000       3.587000 0.8819000       4.610000      0.8112000      -1.024000       1.198000
  1 1 1     -23  -28   10 o    2.573000      0.6772000       2.278000 0.8859000       2.869000       1.024000     -0.5912000       1.354000
  1 1 1     -23  -28   11 o    3.179000      0.6900000       3.180000 0.9185000       3.177000       1.030000      0.3399000E-02   1.380000
  1 1 1     -23  -28   12 o    2.757000      0.7022000       2.816000 0.9646000       2.697000       1.021000      0.1188000       1.404000
  1 1 1     -23  -28   13 o    3.752000      0.6911000       3.618000 0.9803000       3.886000      0.9744000     -0.2680000       1.382000
  1 1 1     -23  -28   14 o    2.874000      0.7184000       3.062000 0.9955000       2.687000       1.036000      0.3750000       1.437000
  1 1 1     -23  -28   15 o    4.982000      0.6062000       6.063000 0.6822000       3.901000       1.002000       2.163000       1.212000
  1 1 1     -23  -28   16 o    5.055000      0.5902000       5.388000 0.7432000       4.721000      0.9171000      0.6673000       1.180000
  1 1 1     -23  -28   17 o    2.492000      0.6960000       2.901000 1.036000       2.083000      0.9293000      0.8175000       1.392000
  1 1 1     -23  -28   18 o    2.371000      0.6732000       1.904000 0.8538000       2.838000       1.041000     -0.9342000       1.346000
  1 1 1     -23  -28   19 o    2.278000      0.6783000       2.229000 0.9322000       2.328000      0.9856000     -0.9909000E-01   1.357000
  1 1 1     -23  -28   20 o    2.963000      0.7021000       3.559000 0.9920000       2.368000      0.9938000       1.191000       1.404000
  1 1 1     -23  -28   21 o    2.714000      0.6862000       2.191000 0.9120000       3.238000       1.025000      -1.048000       1.372000
  1 1 1     -23  -27    1 o    8.638000      0.4822000       8.420000 0.7630000       8.857000      0.5899000     -0.4367000      0.9645000
  1 1 1     -23  -27    2 o    5.552000      0.7013000       5.244000 1.176000       5.859000      0.7644000     -0.6145000       1.403000
  1 1 1     -23  -27    3 o    7.915000      0.5353000       7.641000 0.8749000       8.190000      0.6169000     -0.5486000       1.071000
  1 1 1     -23  -27    4 o    2.525000      0.6266000       2.537000 0.8418000       2.513000      0.9284000      0.2452000E-01   1.253000
  1 1 1     -23  -27    5 o    4.582000      0.4825000       4.702000 0.6257000       4.463000      0.7346000      0.2389000      0.9649000
  1 1 1     -23  -27    6 o    3.313000      0.7051000       2.181000 0.8831000       4.445000       1.099000      -2.264000       1.410000
  1 1 1     -23  -27    7 o    7.856000      0.4472000       8.222000 0.5334000       7.489000      0.7178000      0.7333000      0.8943000
  1 1 1     -23  -27    8 o    2.693000      0.6353000       1.958000 0.8186000       3.429000      0.9719000      -1.471000       1.271000
  1 1 1     -23  -27    9 o    9.221000      0.3249000       9.280000 0.4352000       9.161000      0.4825000      0.1198000      0.6498000
  1 1 1     -23  -27   10 o    3.368000      0.6762000       3.622000 0.9084000       3.114000       1.002000      0.5075000       1.352000
  1 1 1     -23  -27   11 o    5.341000      0.4742000       5.143000 0.6181000       5.539000      0.7194000     -0.3960000      0.9485000
  1 1 1     -23  -27   12 o    2.382000      0.6585000       2.735000 0.9569000       2.029000      0.9048000      0.7061000       1.317000
  1 1 1     -23  -27   13 o    2.448000      0.6847000       2.407000 0.9341000       2.489000       1.001000     -0.8205000E-01   1.369000
  1 1 1     -23  -27   14 o    2.794000      0.7125000       2.610000 0.9851000       2.978000       1.030000     -0.3683000       1.425000
  1 1 1     -23  -27   15 o    4.456000      0.6379000       5.368000 0.7136000       3.544000       1.058000       1.824000       1.276000
  1 1 1     -23  -27   16 o    2.782000      0.7196000       3.059000 1.012000       2.505000       1.023000      0.5543000       1.439000
  1 1 1     -23  -27   17 o    4.895000      0.6009000       4.901000 0.8057000       4.889000      0.8918000      0.1183000E-01   1.202000
  1 1 1     -23  -27   18 o    2.934000      0.7322000       2.391000 0.9607000       3.477000       1.105000      -1.086000       1.464000
  1 1 1     -23  -27   19 o    2.609000      0.7085000       2.028000 0.8951000       3.189000       1.099000      -1.161000       1.417000
  1 1 1     -23  -27   20 o    3.387000      0.7275000       3.234000 1.018000       3.540000       1.040000     -0.3067000       1.455000
  1 1 1     -23  -27   21 o    2.831000      0.6771000       1.853000 0.8514000       3.808000       1.053000      -1.955000       1.354000
  1 1 1     -23  -27   22 o    4.221000      0.6745000       4.510000 0.8761000       3.931000       1.026000      0.5782000       1.349000
  1 1 1     -23  -26    1 o    5.229000      0.3990000       5.020000 0.5382000       5.437000      0.5893000     -0.4168000      0.7981000
  1 1 1     -23  -26    2 o    8.851000      0.2950000       9.055000 0.4052000       8.647000      0.4288000      0.4080000      0.5900000
  1 1 1     -23  -26    3 o    3.090000      0.7622000       3.424000 1.251000       2.757000      0.8708000      0.6668000       1.524000
  1 1 1     -23  -26    4 o    3.085000      0.7910000       3.543000 1.227000       2.627000      0.9985000      0.9157000       1.582000
  1 1 1     -23  -26    5 o    2.490000      0.7271000       2.545000 1.070000       2.436000      0.9843000      0.1091000       1.454000
  1 1 1     -23  -26    6 o    1.649000      0.5338000       1.588000 0.7235000       1.710000      0.7851000     -0.1218000       1.068000
  1 1 1     -23  -26    7 f    5.105000      0.4485000       5.110000 0.5715000       5.100000      0.6914000      0.1030000E-01  0.8970000
  1 1 1     -23  -26    8 o    3.396000      0.7431000       3.472000 0.8960000       3.321000       1.186000      0.1514000       1.486000
  1 1 1     -23  -26    9 o    4.212000      0.7544000       3.123000 1.017000       5.302000       1.114000      -2.178000       1.509000
  1 1 1     -23  -26   10 o    7.266000      0.3769000       7.786000 0.4755000       6.747000      0.5848000       1.040000      0.7537000
  1 1 1     -23  -26   11 o    5.781000      0.4476000       6.061000 0.5775000       5.501000      0.6841000      0.5595000      0.8953000
  1 1 1     -23  -26   12 o    3.891000      0.6366000       3.429000 0.8841000       4.353000      0.9163000     -0.9243000       1.273000
  1 1 1     -23  -26   13 o    2.994000      0.7130000       2.529000 0.9645000       3.459000       1.050000     -0.9297000       1.426000
  1 1 1     -23  -26   14 o    4.000000      0.6137000       4.800000 0.7102000       3.199000       1.001000       1.601000       1.227000
  1 1 1     -23  -26   15 o    2.318000      0.6693000       1.882000 0.8436000       2.753000       1.039000     -0.8719000       1.339000
  1 1 1     -23  -26   16 o    10.14000      0.3492000       10.29000 0.4787000       9.982000      0.5084000      0.3114000      0.6983000
  1 1 1     -23  -26   17 o    3.219000      0.7034000       3.743000 0.9629000       2.695000       1.026000       1.048000       1.407000
  1 1 1     -23  -26   18 o    2.099000      0.6562000       2.168000 0.9337000       2.031000      0.9224000      0.1368000       1.312000
  1 1 1     -23  -26   19 o    3.993000      0.6618000       5.167000 0.7747000       2.819000       1.073000       2.348000       1.324000
  1 1 1     -23  -26   20 o    5.858000      0.5102000       6.022000 0.6834000       5.694000      0.7577000      0.3286000       1.020000
  1 1 1     -23  -26   21 o    5.004000      0.6222000       4.983000 0.8719000       5.026000      0.8879000     -0.4275000E-01   1.244000
  1 1 1     -23  -26   22 o    4.743000      0.6190000       4.503000 0.8961000       4.984000      0.8542000     -0.4815000       1.238000
  1 1 1     -23  -26   23 f    2.973000      0.7264000       3.453000 1.029000       2.493000       1.026000      0.9601000       1.453000
  1 1 1     -23  -25    1 o    6.484000      0.3180000       6.697000 0.4099000       6.271000      0.4862000      0.4262000      0.6360000
  1 1 1     -23  -25    2 o    4.258000      0.4693000       4.407000 0.5699000       4.109000      0.7457000      0.2980000      0.9386000
  1 1 1     -23  -25    3 o    1.533000      0.4897000       1.787000 0.7490000       1.279000      0.6310000      0.5078000      0.9793000
  1 1 1     -23  -25    4 o    5.452000      0.4089000       6.023000 0.4590000       4.881000      0.6768000       1.142000      0.8178000
  1 1 1     -23  -25    5 o    4.890000      0.6660000       4.239000 1.210000       5.542000      0.5575000      -1.303000       1.332000
  1 1 1     -23  -25    6 o    4.073000      0.7469000       4.435000 1.104000       3.711000       1.006000      0.7246000       1.494000
  1 1 1     -23  -25    7 o    2.178000      0.6831000       1.919000 0.9203000       2.437000       1.010000     -0.5180000       1.366000
  1 1 1     -23  -25    8 o    5.753000      0.4325000       5.531000 0.5951000       5.975000      0.6279000     -0.4432000      0.8651000
  1 1 1     -23  -25    9 o    2.535000      0.6749000       2.414000 0.9186000       2.655000      0.9890000     -0.2410000       1.350000
  1 1 1     -23  -25   10 o    11.41000      0.4053000       12.00000 0.5054000       10.83000      0.6337000       1.172000      0.8105000
  1 1 1     -23  -25   11 o    3.150000      0.7601000       3.658000 1.005000       2.642000       1.140000       1.015000       1.520000
  1 1 1     -23  -25   12 o    2.023000      0.6216000       1.976000 0.8617000       2.069000      0.8962000     -0.9243000E-01   1.243000
  1 1 1     -23  -25   13 o    3.437000      0.6882000       3.715000 0.8863000       3.160000       1.053000      0.5555000       1.376000
  1 1 1     -23  -25   14 o    4.700000      0.5838000       5.437000 0.6606000       3.962000      0.9628000       1.475000       1.168000
  1 1 1     -23  -25   15 o    5.588000      0.5018000       5.933000 0.6351000       5.244000      0.7770000      0.6893000       1.004000
  1 1 1     -23  -25   16 o    7.341000      0.3986000       7.071000 0.5671000       7.611000      0.5603000     -0.5393000      0.7973000
  1 1 1     -23  -25   17 o    3.130000      0.6945000       3.235000 0.9611000       3.025000       1.003000      0.2106000       1.389000
  1 1 1     -23  -25   18 o    3.166000      0.6807000       3.931000 0.9235000       2.402000       1.000000       1.529000       1.361000
  1 1 1     -23  -25   19 o    4.134000      0.6574000       3.450000 0.9939000       4.817000      0.8609000      -1.367000       1.315000
  1 1 1     -23  -25   20 o    8.118000      0.3835000       7.771000 0.5452000       8.465000      0.5395000     -0.6939000      0.7670000
  1 1 1     -23  -25   21 o    3.203000      0.7337000       3.191000 1.027000       3.215000       1.048000     -0.2375000E-01   1.467000
  1 1 1     -23  -25   22 o    2.237000      0.6501000       2.617000 0.9809000       1.857000      0.8536000      0.7603000       1.300000
  1 1 1     -23  -25   23 f    3.226000      0.7162000       3.828000 1.012000       2.623000       1.014000       1.205000       1.432000
  1 1 1     -23  -25   24 o    2.866000      0.6963000       2.143000 0.9269000       3.589000       1.039000      -1.446000       1.393000
  1 1 1     -23  -24    1 o    4.389000      0.4311000       4.870000 0.4991000       3.907000      0.7032000      0.9630000      0.8623000
  1 1 1     -23  -24    2 o    2.201000      0.5741000       1.996000 0.7694000       2.406000      0.8522000     -0.4104000       1.148000
  1 1 1     -23  -24    3 o    5.280000      0.3790000       4.972000 0.5051000       5.587000      0.5651000     -0.6155000      0.7579000
  1 1 1     -23  -24    4 o    10.64000      0.2760000       10.68000 0.3781000       10.60000      0.4021000      0.8122000E-01  0.5519000
  1 1 1     -23  -24    5 o    4.388000      0.4885000       4.965000 0.5496000       3.811000      0.8078000       1.154000      0.9770000
  1 1 1     -23  -24    6 o    4.937000      0.4518000       5.515000 0.5182000       4.359000      0.7403000       1.156000      0.9037000
  1 1 1     -23  -24    7 o    5.219000      0.6678000       4.959000 1.103000       5.478000      0.7527000     -0.5185000       1.336000
  1 1 1     -23  -24    8 o    4.830000      0.7010000       4.359000 1.108000       5.301000      0.8596000     -0.9413000       1.402000
  1 1 1     -23  -24    9 o    6.520000      0.3811000       6.175000 0.5129000       6.865000      0.5638000     -0.6893000      0.7622000
  1 1 1     -23  -24   10 o    6.330000      0.4202000       6.604000 0.5510000       6.056000      0.6346000      0.5481000      0.8404000
  1 1 1     -23  -24   11 o    3.367000      0.7792000       2.563000 0.8923000       4.170000       1.278000      -1.607000       1.558000
  1 1 1     -23  -24   12 o    3.623000      0.7631000       4.330000 0.9626000       2.916000       1.184000       1.413000       1.526000
  1 1 1     -23  -24   13 o    7.881000      0.3779000       8.364000 0.4969000       7.398000      0.5695000      0.9659000      0.7558000
  1 1 1     -23  -24   14 o    6.464000      0.4331000       6.409000 0.5702000       6.520000      0.6520000     -0.1114000      0.8662000
  1 1 1     -23  -24   15 o    3.712000      0.6590000       2.880000 0.9698000       4.544000      0.8926000      -1.664000       1.318000
  1 1 1     -23  -24   16 o    5.390000      0.5363000       5.315000 0.7380000       5.464000      0.7783000     -0.1488000       1.073000
  1 1 1     -23  -24   17 o    9.584000      0.3575000       9.778000 0.4971000       9.389000      0.5139000      0.3890000      0.7150000
  1 1 1     -23  -24   18 o    6.153000      0.4976000       5.420000 0.7448000       6.887000      0.6601000      -1.467000      0.9952000
  1 1 1     -23  -24   19 o    2.794000      0.7240000       2.990000 1.039000       2.599000       1.009000      0.3913000       1.448000
  1 1 1     -23  -24   20 o    4.111000      0.6899000       4.298000 0.9412000       3.925000       1.009000      0.3728000       1.380000
  1 1 1     -23  -24   21 f    2.674000      0.7279000       2.313000 0.9825000       3.036000       1.074000     -0.7226000       1.456000
  1 1 1     -23  -24   22 o    3.199000      0.6406000       4.411000 0.9098000       1.986000      0.9022000       2.425000       1.281000
  1 1 1     -23  -24   23 o    1.987000      0.6154000       2.404000 0.9674000       1.569000      0.7610000      0.8348000       1.231000
  1 1 1     -23  -24   24 o    2.093000      0.6367000       2.352000 0.9529000       1.834000      0.8447000      0.5180000       1.273000
  1 1 1     -23  -24   25 o    2.464000      0.6975000       2.640000 1.003000       2.289000      0.9691000      0.3505000       1.395000
  1 1 1     -23  -23    1 f    8.301000      0.3954000                  ?       ?   8.301000      0.3954000                  ?              ?
  1 1 1     -23  -23    2 o    4.784000      0.4036000       4.475000 0.5765000       5.093000      0.5651000     -0.6178000      0.8072000
  1 1 1     -23  -23    3 o    4.463000      0.4208000       4.065000 0.6262000       4.861000      0.5623000     -0.7965000      0.8416000
  1 1 1     -23  -23    4 o    10.47000      0.2665000       10.73000 0.3734000       10.20000      0.3803000      0.5262000      0.5330000
  1 1 1     -23  -23    5 o    6.599000      0.3249000       6.388000 0.4453000       6.811000      0.4732000     -0.4232000      0.6498000
  1 1 1     -23  -23    6 o    8.028000      0.3014000       8.113000 0.4104000       7.943000      0.4416000      0.1702000      0.6029000
  1 1 1     -23  -23    7 o    6.560000      0.3631000       5.925000 0.5268000       7.195000      0.4999000      -1.269000      0.7262000
  1 1 1     -23  -23    8 o    6.426000      0.3876000       6.476000 0.5206000       6.376000      0.5743000      0.9999000E-01  0.7751000
  1 1 1     -23  -23    9 o    8.113000      0.4771000       8.707000 0.7155000       7.519000      0.6312000       1.188000      0.9542000
  1 1 1     -23  -23   10 o    3.663000      0.8116000       4.034000 1.192000       3.292000       1.102000      0.7420000       1.623000
  1 1 1     -23  -23   11 o    5.264000      0.4552000       5.022000 0.6357000       5.506000      0.6518000     -0.4838000      0.9105000
  1 1 1     -23  -23   12 o    4.165000      0.6122000       4.112000 0.8689000       4.217000      0.8628000     -0.1043000       1.224000
  1 1 1     -23  -23   13 o    10.99000      0.4362000       10.64000 0.5594000       11.34000      0.6695000     -0.7035000      0.8724000
  1 1 1     -23  -23   14 o    10.11000      0.3633000       10.10000 0.5572000       10.11000      0.4664000     -0.1530000E-01  0.7266000
  1 1 1     -23  -23   15 o    5.594000      0.4755000       5.391000 0.6731000       5.796000      0.6718000     -0.4059000      0.9510000
  1 1 1     -23  -23   16 o    8.867000      0.3561000       8.285000 0.5057000       9.449000      0.5014000      -1.163000      0.7121000
  1 1 1     -23  -23   17 o    9.345000      0.3664000       9.620000 0.4976000       9.070000      0.5380000      0.5492000      0.7328000
  1 1 1     -23  -23   18 o    3.340000      0.6863000       2.401000 0.9702000       4.279000      0.9709000      -1.878000       1.373000
  1 1 1     -23  -23   19 o    2.803000      0.7524000       2.741000 1.039000       2.864000       1.088000     -0.1231000       1.505000
  1 1 1     -23  -23   20 o    3.157000      0.7252000       3.682000 0.9955000       2.632000       1.055000       1.050000       1.450000
  1 1 1     -23  -23   21 o    4.383000      0.6724000       3.844000 1.040000       4.922000      0.8530000      -1.079000       1.345000
  1 1 1     -23  -23   22 o    2.096000      0.6381000       1.777000 0.8212000       2.414000      0.9768000     -0.6372000       1.276000
  1 1 1     -23  -23   23 o    3.256000      0.7443000       3.234000 1.067000       3.279000       1.037000     -0.4441000E-01   1.489000
  1 1 1     -23  -23   24 o    3.445000      0.6610000       2.341000 0.9643000       4.550000      0.9045000      -2.209000       1.322000
  1 1 1     -23  -23   25 o    2.393000      0.6511000       2.954000 0.9878000       1.832000      0.8485000       1.122000       1.302000
  1 1 1     -23  -22    1 o    2.443000      0.8281000                  ?       ?   2.443000      0.8281000                  ?              ?
  1 1 1     -23  -22    2 o    6.702000      0.3058000       6.760000 0.4097000       6.643000      0.4541000      0.1173000      0.6116000
  1 1 1     -23  -22    3 o    4.584000      0.4189000       4.563000 0.5347000       4.605000      0.6451000     -0.4165000E-01  0.8379000
  1 1 1     -23  -22    4 o    9.617000      0.2779000       9.881000 0.3720000       9.353000      0.4129000      0.5286000      0.5558000
  1 1 1     -23  -22    5 o    11.09000      0.2735000       10.90000 0.3731000       11.28000      0.4001000     -0.3867000      0.5470000
  1 1 1     -23  -22    6 o    8.257000      0.2984000       8.277000 0.4261000       8.236000      0.4178000      0.4059000E-01  0.5967000
  1 1 1     -23  -22    7 o    3.395000      0.5777000       3.594000 0.7873000       3.196000      0.8456000      0.3975000       1.155000
  1 1 1     -23  -22    8 o    5.799000      0.3934000       6.248000 0.4978000       5.351000      0.6094000      0.8968000      0.7869000
  1 1 1     -23  -22    9 o    11.46000      0.2829000       11.48000 0.3870000       11.44000      0.4126000      0.4452000E-01  0.5657000
  1 1 1     -23  -22   10 o    4.714000      0.7612000       4.446000 1.176000       4.983000      0.9664000     -0.5368000       1.522000
  1 1 1     -23  -22   11 o    7.473000      0.4880000       8.136000 0.6993000       6.809000      0.6807000       1.327000      0.9759000
  1 1 1     -23  -22   12 o    4.870000      0.5188000       4.843000 0.7054000       4.896000      0.7609000     -0.5353000E-01   1.038000
  1 1 1     -23  -22   13 o    6.049000      0.4413000       5.692000 0.6534000       6.405000      0.5935000     -0.7123000      0.8827000
  1 1 1     -23  -22   14 o    5.822000      0.6205000       5.287000 0.8767000       6.358000      0.8783000      -1.071000       1.241000
  1 1 1     -23  -22   15 o    2.262000      0.7078000       2.159000 0.9457000       2.365000       1.053000     -0.2063000       1.416000
  1 1 1     -23  -22   16 o    3.460000      0.6894000       3.274000 0.9886000       3.647000      0.9611000     -0.3727000       1.379000
  1 1 1     -23  -22   17 o    10.76000      0.3276000       10.78000 0.4458000       10.75000      0.4802000      0.2767000E-01  0.6552000
  1 1 1     -23  -22   18 o    5.648000      0.4986000       5.992000 0.6677000       5.303000      0.7405000      0.6884000      0.9971000
  1 1 1     -23  -22   19 o    2.658000      0.7033000       2.912000 0.9849000       2.403000       1.004000      0.5085000       1.407000
  1 1 1     -23  -22   20 o    2.192000      0.6571000       1.941000 0.8677000       2.444000      0.9870000     -0.5036000       1.314000
  1 1 1     -23  -22   21 o    3.039000      0.7548000       3.099000 1.063000       2.979000       1.072000      0.1201000       1.510000
  1 1 1     -23  -22   22 o    5.548000      0.5640000       5.299000 0.8520000       5.796000      0.7391000     -0.4972000       1.128000
  1 1 1     -23  -22   23 o    4.569000      0.6732000       4.034000 1.039000       5.104000      0.8565000      -1.070000       1.346000
  1 1 1     -23  -22   24 o    2.823000      0.7048000       3.078000 1.005000       2.569000      0.9885000      0.5095000       1.410000
  1 1 1     -23  -22   25 o    2.763000      0.7317000       2.636000 1.022000       2.890000       1.048000     -0.2538000       1.463000
  1 1 1     -23  -22   26 o    2.439000      0.6917000       2.592000 0.9863000       2.286000      0.9700000      0.3062000       1.383000
  1 1 1     -23  -21    1 o    2.184000      0.5732000       2.333000 0.7943000       2.035000      0.8266000      0.2973000       1.146000
  1 1 1     -23  -21    2 o    12.97000      0.3860000       12.95000 0.5534000       12.98000      0.5383000     -0.3534000E-01  0.7721000
  1 1 1     -23  -21    3 o    7.944000      0.2862000       7.518000 0.4114000       8.370000      0.3980000     -0.8520000      0.5724000
  1 1 1     -23  -21    4 o    3.059000      0.5437000       3.957000 0.6704000       2.161000      0.8562000       1.796000       1.087000
  1 1 1     -23  -21    5 o    5.599000      0.3910000       5.316000 0.5635000       5.881000      0.5421000     -0.5652000      0.7819000
  1 1 1     -23  -21    6 o    9.243000      0.2858000       9.557000 0.3843000       8.929000      0.4231000      0.6280000      0.5715000
  1 1 1     -23  -21    7 o    6.397000      0.3317000       6.368000 0.4542000       6.426000      0.4835000     -0.5806000E-01  0.6634000
  1 1 1     -23  -21    8 o    7.677000      0.3202000       7.638000 0.4427000       7.715000      0.4626000     -0.7634000E-01  0.6403000
  1 1 1     -23  -21    9 o    9.528000      0.2979000       9.537000 0.4088000       9.518000      0.4334000      0.1872000E-01  0.5958000
  1 1 1     -23  -21   10 o    7.341000      0.3400000       8.083000 0.4475000       6.600000      0.5120000       1.483000      0.6800000
  1 1 1     -23  -21   11 o    11.99000      0.4188000       12.59000 0.6106000       11.38000      0.5733000       1.208000      0.8376000
  1 1 1     -23  -21   12 o    10.02000      0.4598000       9.832000 0.6910000       10.21000      0.6068000     -0.3826000      0.9196000
  1 1 1     -23  -21   13 o    2.947000      0.6562000       2.592000 0.9167000       3.302000      0.9392000     -0.7105000       1.312000
  1 1 1     -23  -21   14 o    2.541000      0.6267000       1.723000 0.8021000       3.359000      0.9631000      -1.636000       1.253000
  1 1 1     -23  -21   15 o    7.836000      0.5173000       8.813000 0.5843000       6.859000      0.8539000       1.954000       1.035000
  1 1 1     -23  -21   16 o    5.322000      0.5622000       4.491000 0.9461000       6.154000      0.6077000      -1.663000       1.124000
  1 1 1     -23  -21   17 o    7.806000      0.3680000       7.391000 0.5357000       8.222000      0.5046000     -0.8318000      0.7359000
  1 1 1     -23  -21   18 o    3.971000      0.6551000       3.213000 0.9822000       4.729000      0.8671000      -1.516000       1.310000
  1 1 1     -23  -21   19 o    3.514000      0.6809000       4.029000 0.8984000       2.998000       1.023000       1.031000       1.362000
  1 1 1     -23  -21   20 o    3.281000      0.7583000       3.521000 1.036000       3.040000       1.108000      0.4812000       1.517000
  1 1 1     -23  -21   21 o    5.101000      0.5942000       4.834000 0.8547000       5.367000      0.8258000     -0.5331000       1.188000
  1 1 1     -23  -21   22 o    4.441000      0.7056000       4.351000 0.9863000       4.530000       1.009000     -0.1786000       1.411000
  1 1 1     -23  -21   23 o    2.455000      0.6850000       2.850000 1.013000       2.060000      0.9228000      0.7899000       1.370000
  1 1 1     -23  -21   24 o    2.346000      0.6880000       2.737000 1.053000       1.956000      0.8860000      0.7811000       1.376000
  1 1 1     -23  -21   25 o    2.486000      0.7016000       2.604000 0.9925000       2.368000      0.9919000      0.2359000       1.403000
  1 1 1     -23  -21   26 o    2.317000      0.6506000       1.557000 0.7547000       3.077000       1.060000      -1.520000       1.301000
  1 1 1     -23  -21   27 o    2.310000      0.6848000       2.039000 0.9107000       2.581000       1.023000     -0.5421000       1.370000
  1 1 1     -23  -20    1 o    6.031000      0.3302000       6.056000 0.4462000       6.007000      0.4869000      0.4863000E-01  0.6605000
  1 1 1     -23  -20    2 o    14.07000      0.2640000       13.79000 0.3745000       14.34000      0.3724000     -0.5509000      0.5281000
  1 1 1     -23  -20    3 o    3.526000      0.5058000       2.737000 0.7738000       4.316000      0.6516000      -1.580000       1.012000
  1 1 1     -23  -20    4 o    6.196000      0.3174000       6.356000 0.4252000       6.036000      0.4713000      0.3201000      0.6347000
  1 1 1     -23  -20    5 o    8.458000      0.2876000       8.630000 0.3929000       8.287000      0.4201000      0.3436000      0.5752000
  1 1 1     -23  -20    6 o    4.056000      0.5070000       4.254000 0.6559000       3.859000      0.7733000      0.3954000       1.014000
  1 1 1     -23  -20    7 o    8.489000      0.2964000       7.817000 0.4235000       9.161000      0.4146000      -1.344000      0.5927000
  1 1 1     -23  -20    8 o    9.907000      0.2822000       10.35000 0.3866000       9.466000      0.4112000      0.8809000      0.5644000
  1 1 1     -23  -20    9 o    4.306000      0.5337000       4.980000 0.6200000       3.633000      0.8689000       1.347000       1.067000
  1 1 1     -23  -20   10 o    9.479000      0.2911000       9.197000 0.4023000       9.761000      0.4208000     -0.5635000      0.5822000
  1 1 1     -23  -20   11 o    13.29000      0.2921000       12.93000 0.4113000       13.66000      0.4150000     -0.7254000      0.5842000
  1 1 1     -23  -20   12 o    3.998000      0.7781000       3.699000 1.226000       4.296000      0.9587000     -0.5968000       1.556000
  1 1 1     -23  -20   13 o    12.73000      0.4295000       12.17000 0.6295000       13.28000      0.5845000      -1.114000      0.8590000
  1 1 1     -23  -20   14 o    6.051000      0.4112000       5.649000 0.5973000       6.453000      0.5653000     -0.8037000      0.8224000
  1 1 1     -23  -20   15 o    3.671000      0.5974000       2.513000 0.9165000       4.829000      0.7664000      -2.315000       1.195000
  1 1 1     -23  -20   16 o    2.823000      0.7561000       2.983000 1.030000       2.662000       1.107000      0.3213000       1.512000
  1 1 1     -23  -20   17 o    2.947000      0.6919000       2.897000 0.9457000       2.996000       1.010000     -0.9946000E-01   1.384000
  1 1 1     -23  -20   18 o    7.843000      0.3730000       7.687000 0.5331000       7.999000      0.5220000     -0.3117000      0.7461000
  1 1 1     -23  -20   19 o    7.555000      0.4184000       7.361000 0.5858000       7.749000      0.5974000     -0.3878000      0.8367000
  1 1 1     -23  -20   20 o    5.833000      0.5111000       6.339000 0.6364000       5.328000      0.8000000       1.011000       1.022000
  1 1 1     -23  -20   21 o    3.818000      0.7475000       3.340000 1.066000       4.296000       1.049000     -0.9561000       1.495000
  1 1 1     -23  -20   22 o    6.417000      0.5001000       7.148000 0.5916000       5.687000      0.8066000       1.461000       1.000000
  1 1 1     -23  -20   23 o    7.287000      0.4358000       7.027000 0.6433000       7.547000      0.5882000     -0.5197000      0.8717000
  1 1 1     -23  -20   24 o    4.183000      0.6957000       3.710000 1.061000       4.656000      0.8995000     -0.9461000       1.391000
  1 1 1     -23  -20   25 o    4.436000      0.6672000       4.534000 0.9360000       4.338000      0.9510000      0.1958000       1.334000
  1 1 1     -23  -20   26 o    2.552000      0.7107000       2.305000 0.9615000       2.798000       1.047000     -0.4926000       1.421000
  1 1 1     -23  -20   27 o    4.837000      0.5913000       4.529000 0.8685000       5.144000      0.8025000     -0.6142000       1.183000
  1 1 1     -23  -19    1 o    4.259000      0.4460000       4.312000 0.5683000       4.206000      0.6876000      0.1053000      0.8921000
  1 1 1     -23  -19    2 f    11.92000      0.2933000       11.41000 0.4489000       12.43000      0.3776000      -1.022000      0.5866000
  1 1 1     -23  -19    3 o    7.219000      0.2992000       7.427000 0.4136000       7.012000      0.4324000      0.4151000      0.5984000
  1 1 1     -23  -19    4 o    6.413000      0.3131000       6.783000 0.4276000       6.043000      0.4576000      0.7404000      0.6263000
  1 1 1     -23  -19    5 o    2.880000      0.5962000       3.085000 0.8163000       2.675000      0.8692000      0.4102000       1.192000
  1 1 1     -23  -19    6 o    3.807000      0.5455000       3.456000 0.8015000       4.158000      0.7401000     -0.7021000       1.091000
  1 1 1     -23  -19    7 o    2.579000      0.5818000       2.981000 0.8191000       2.177000      0.8265000      0.8039000       1.164000
  1 1 1     -23  -19    8 o    9.003000      0.2908000       9.056000 0.3986000       8.951000      0.4236000      0.1055000      0.5817000
  1 1 1     -23  -19    9 o    2.588000      0.6228000       2.518000 0.8672000       2.658000      0.8941000     -0.1400000       1.246000
  1 1 1     -23  -19   10 o    8.467000      0.3048000       8.422000 0.4178000       8.512000      0.4438000     -0.8960000E-01  0.6095000
  1 1 1     -23  -19   11 f    12.73000      0.2890000       13.16000 0.4091000       12.31000      0.4083000      0.8521000      0.5780000
  1 1 1     -23  -19   12 o    7.311000      0.3350000       6.851000 0.4926000       7.772000      0.4540000     -0.9202000      0.6699000
  1 1 1     -23  -19   13 o    16.67000      0.4447000       15.88000 0.6377000       17.46000      0.6199000      -1.587000      0.8894000
  1 1 1     -23  -19   14 o    2.673000      0.7345000       3.568000 1.205000       1.777000      0.8408000       1.792000       1.469000
  1 1 1     -23  -19   15 o    5.071000      0.5291000       4.671000 0.7780000       5.470000      0.7172000     -0.7990000       1.058000
  1 1 1     -23  -19   16 o    10.70000      0.3114000       11.16000 0.4243000       10.24000      0.4559000      0.9146000      0.6228000
  1 1 1     -23  -19   17 o    5.253000      0.7040000       5.381000 0.8567000       5.125000       1.117000      0.2558000       1.408000
  1 1 1     -23  -19   18 o    5.271000      0.5336000       5.737000 0.6661000       4.805000      0.8339000      0.9318000       1.067000
  1 1 1     -23  -19   19 o    3.592000      0.7055000       3.324000 1.010000       3.861000      0.9852000     -0.5365000       1.411000
  1 1 1     -23  -19   20 o    6.350000      0.5012000       6.789000 0.6240000       5.911000      0.7846000      0.8783000       1.002000
  1 1 1     -23  -19   21 o    3.166000      0.7350000       3.293000 0.9942000       3.039000       1.083000      0.2545000       1.470000
  1 1 1     -23  -19   22 o    4.039000      0.6760000       3.116000 1.034000       4.963000      0.8716000      -1.848000       1.352000
  1 1 1     -23  -19   23 o    5.353000      0.5939000       4.395000 0.9678000       6.310000      0.6886000      -1.915000       1.188000
  1 1 1     -23  -19   24 o    3.631000      0.7368000       3.943000 1.026000       3.319000       1.058000      0.6236000       1.474000
  1 1 1     -23  -19   25 o    2.993000      0.6592000       4.149000 1.009000       1.838000      0.8489000       2.311000       1.318000
  1 1 1     -23  -19   26 o    2.309000      0.6882000       2.542000 1.012000       2.076000      0.9331000      0.4660000       1.376000
  1 1 1     -23  -19   27 o    5.303000      0.5642000       5.819000 0.6786000       4.788000      0.9015000       1.031000       1.128000
  1 1 1     -23  -19   28 o    2.181000      0.6552000       1.935000 0.8705000       2.426000      0.9795000     -0.4915000       1.310000
  1 1 1     -23  -18    1 o    2.311000      0.5933000       2.162000 0.8117000       2.461000      0.8656000     -0.2990000       1.187000
  1 1 1     -23  -18    2 o    10.42000      0.3789000                  ?       ?   10.42000      0.3789000                  ?              ?
  1 1 1     -23  -18    3 o    7.665000      0.2896000       7.421000 0.4145000       7.909000      0.4046000     -0.4880000      0.5793000
  1 1 1     -23  -18    4 o    2.302000      0.5803000       2.666000 0.8282000       1.938000      0.8129000      0.7280000       1.161000
  1 1 1     -23  -18    5 o    3.173000      0.5812000       2.612000 0.8547000       3.735000      0.7878000      -1.123000       1.162000
  1 1 1     -23  -18    6 o    5.072000      0.3904000       5.416000 0.4653000       4.727000      0.6269000      0.6892000      0.7807000
  1 1 1     -23  -18    7 o    3.297000      0.5684000       3.799000 0.7134000       2.795000      0.8849000       1.004000       1.137000
  1 1 1     -23  -18    8 o    9.074000      0.2769000       8.793000 0.3868000       9.354000      0.3962000     -0.5615000      0.5537000
  1 1 1     -23  -18    9 o    3.545000      0.5661000       3.946000 0.7141000       3.144000      0.8786000      0.8027000       1.132000
  1 1 1     -23  -18   10 o    1.987000      0.5525000       2.445000 0.8486000       1.530000      0.7076000      0.9157000       1.105000
  1 1 1     -23  -18   11 o    9.049000      0.3462000       9.516000 0.5239000       8.583000      0.4528000      0.9324000      0.6924000
  1 1 1     -23  -18   12 o    3.782000      0.5729000       4.588000 0.6811000       2.976000      0.9213000       1.612000       1.146000
  1 1 1     -23  -18   13 o    13.89000      0.2953000       14.23000 0.4119000       13.55000      0.4233000      0.6841000      0.5907000
  1 1 1     -23  -18   14 o    9.758000      0.4427000       10.28000 0.6646000       9.237000      0.5849000       1.042000      0.8854000
  1 1 1     -23  -18   15 o    15.75000      0.4385000       16.71000 0.6474000       14.79000      0.5916000       1.919000      0.8770000
  1 1 1     -23  -18   16 o    11.40000      0.3107000       11.23000 0.4316000       11.58000      0.4471000     -0.3447000      0.6214000
  1 1 1     -23  -18   17 o    6.959000      0.5637000       6.271000 0.7629000       7.647000      0.8300000      -1.375000       1.127000
  1 1 1     -23  -18   18 o    10.86000      0.4459000       10.62000 0.5902000       11.10000      0.6686000     -0.4743000      0.8918000
  1 1 1     -23  -18   19 o    7.614000      0.3875000       7.473000 0.5365000       7.755000      0.5591000     -0.2821000      0.7749000
  1 1 1     -23  -18   20 o    6.477000      0.4689000       6.313000 0.6528000       6.641000      0.6734000     -0.3285000      0.9379000
  1 1 1     -23  -18   21 o    6.633000      0.4730000       6.141000 0.6876000       7.125000      0.6497000     -0.9836000      0.9460000
  1 1 1     -23  -18   22 f    2.420000      0.6980000       2.238000 0.9421000       2.602000       1.030000     -0.3643000       1.396000
  1 1 1     -23  -18   23 o    3.106000      0.7255000       3.394000 1.015000       2.817000       1.037000      0.5762000       1.451000
  1 1 1     -23  -18   24 o    3.091000      0.7416000       3.192000 1.059000       2.989000       1.038000      0.2029000       1.483000
  1 1 1     -23  -18   25 o    3.434000      0.7205000       3.758000 1.010000       3.109000       1.028000      0.6490000       1.441000
  1 1 1     -23  -18   26 o    2.211000      0.6685000       2.197000 0.9418000       2.225000      0.9492000     -0.2781000E-01   1.337000
  1 1 1     -23  -18   27 o    3.372000      0.7060000       3.738000 0.9730000       3.006000       1.023000      0.7316000       1.412000
  1 1 1     -23  -18   28 o    3.830000      0.6789000       3.240000 1.004000       4.420000      0.9140000      -1.180000       1.358000
  1 1 1     -23  -17    1 o    8.557000      0.2706000       8.593000 0.3733000       8.520000      0.3918000      0.7347000E-01  0.5412000
  1 1 1     -23  -17    2 o    8.887000      0.3863000                  ?       ?   8.887000      0.3863000                  ?              ?
  1 1 1     -23  -17    3 o    10.62000      0.2584000       10.71000 0.3579000       10.54000      0.3728000      0.1699000      0.5168000
  1 1 1     -23  -17    4 o    4.222000      0.4636000       4.015000 0.6876000       4.429000      0.6220000     -0.4137000      0.9272000
  1 1 1     -23  -17    5 o    10.49000      0.2652000       10.53000 0.3693000       10.45000      0.3806000      0.7931000E-01  0.5303000
  1 1 1     -23  -17    6 o    4.307000      0.4465000       4.437000 0.5492000       4.177000      0.7043000      0.2598000      0.8931000
  1 1 1     -23  -17    7 o    4.189000      0.4710000       4.443000 0.6247000       3.935000      0.7049000      0.5078000      0.9419000
  1 1 1     -23  -17    8 o    3.770000      0.5212000       3.888000 0.6570000       3.652000      0.8094000      0.2364000       1.042000
  1 1 1     -23  -17    9 o    7.950000      0.2977000       8.061000 0.4172000       7.839000      0.4247000      0.2217000      0.5953000
  1 1 1     -23  -17   10 o    4.300000      0.5106000       4.748000 0.6437000       3.851000      0.7929000      0.8964000       1.021000
  1 1 1     -23  -17   11 o    10.90000      0.2770000       10.67000 0.3906000       11.12000      0.3928000     -0.4517000      0.5540000
  1 1 1     -23  -17   12 o    7.377000      0.3447000       8.154000 0.4451000       6.600000      0.5265000       1.554000      0.6894000
  1 1 1     -23  -17   13 o    7.238000      0.3447000       7.570000 0.4565000       6.906000      0.5166000      0.6631000      0.6894000
  1 1 1     -23  -17   14 o    10.60000      0.2971000       10.31000 0.4232000       10.88000      0.4170000     -0.5707000      0.5941000
  1 1 1     -23  -17   15 o    2.961000      0.7866000       3.515000 1.196000       2.406000       1.022000       1.109000       1.573000
  1 1 1     -23  -17   16 o    3.236000      0.6466000       3.927000 0.8598000       2.545000      0.9660000       1.382000       1.293000
  1 1 1     -23  -17   17 o    8.620000      0.3509000       8.474000 0.4961000       8.766000      0.4964000     -0.2926000      0.7018000
  1 1 1     -23  -17   18 o    3.044000      0.8175000       2.796000 1.063000       3.293000       1.242000     -0.4971000       1.635000
  1 1 1     -23  -17   19 o    8.022000      0.3837000       7.833000 0.5333000       8.210000      0.5518000     -0.3771000      0.7674000
  1 1 1     -23  -17   20 o    4.797000      0.5904000       4.647000 0.8160000       4.947000      0.8535000     -0.3004000       1.181000
  1 1 1     -23  -17   21 o    8.836000      0.3657000       9.050000 0.5095000       8.623000      0.5249000      0.4275000      0.7315000
  1 1 1     -23  -17   22 o    4.880000      0.6115000       4.130000 0.9568000       5.629000      0.7616000      -1.499000       1.223000
  1 1 1     -23  -17   23 o    2.786000      0.6994000       2.163000 0.9206000       3.409000       1.053000      -1.246000       1.399000
  1 1 1     -23  -17   24 o    5.486000      0.5586000       6.034000 0.7022000       4.937000      0.8689000       1.097000       1.117000
  1 1 1     -23  -17   25 o    2.543000      0.6773000       2.895000 0.9898000       2.191000      0.9246000      0.7041000       1.355000
  1 1 1     -23  -17   26 o    2.645000      0.7122000       2.755000 1.023000       2.535000      0.9915000      0.2196000       1.424000
  1 1 1     -23  -17   27 o    2.397000      0.6884000       2.401000 0.9753000       2.393000      0.9717000      0.7412000E-02   1.377000
  1 1 1     -23  -17   28 o    2.581000      0.6874000       2.237000 0.9370000       2.926000       1.006000     -0.6894000       1.375000
  1 1 1     -23  -16    1 o    4.598000      0.5135000       4.142000 0.6762000       5.055000      0.7729000     -0.9130000       1.027000
  1 1 1     -23  -16    2 f    7.871000      0.2797000       7.466000 0.3831000       8.276000      0.4077000     -0.8093000      0.5595000
  1 1 1     -23  -16    3 o    16.67000      0.2830000       16.89000 0.4030000       16.45000      0.3974000      0.4360000      0.5660000
  1 1 1     -23  -16    4 o    4.354000      0.4132000       4.482000 0.5773000       4.225000      0.5914000      0.2572000      0.8265000
  1 1 1     -23  -16    5 o    2.111000      0.5665000       2.429000 0.8268000       1.792000      0.7746000      0.6371000       1.133000
  1 1 1     -23  -16    6 o    9.055000      0.2735000       8.960000 0.3730000       9.149000      0.4001000     -0.1892000      0.5470000
  1 1 1     -23  -16    7 o    10.83000      0.2650000       10.90000 0.3659000       10.75000      0.3834000      0.1539000      0.5300000
  1 1 1     -23  -16    8 o    3.192000      0.5956000       3.208000 0.8235000       3.177000      0.8608000      0.3035000E-01   1.191000
  1 1 1     -23  -16    9 o    4.772000      0.4282000       4.883000 0.5639000       4.661000      0.6446000      0.2220000      0.8565000
  1 1 1     -23  -16   10 o    11.98000      0.2738000       12.01000 0.3842000       11.95000      0.3903000      0.6131000E-01  0.5477000
  1 1 1     -23  -16   11 o    2.701000      0.6120000       2.134000 0.8481000       3.269000      0.8825000      -1.135000       1.224000
  1 1 1     -23  -16   12 o    7.737000      0.3279000       7.503000 0.4636000       7.971000      0.4637000     -0.4685000      0.6557000
  1 1 1     -23  -16   13 o    6.464000      0.3686000       6.544000 0.5087000       6.384000      0.5335000      0.1602000      0.7372000
  1 1 1     -23  -16   14 o    7.711000      0.3453000       7.743000 0.4701000       7.680000      0.5060000      0.6234000E-01  0.6906000
  1 1 1     -23  -16   15 o    5.577000      0.6608000       5.429000 0.9936000       5.725000      0.8715000     -0.2958000       1.322000
  1 1 1     -23  -16   16 o    3.094000      0.7345000       2.089000 0.9552000       4.099000       1.116000      -2.010000       1.469000
  1 1 1     -23  -16   17 o    4.528000      0.5651000       5.050000 0.6993000       4.007000      0.8879000       1.043000       1.130000
  1 1 1     -23  -16   18 o    7.415000      0.5463000       7.778000 0.6613000       7.053000      0.8698000      0.7248000       1.093000
  1 1 1     -23  -16   19 o    12.24000      0.4365000       12.97000 0.5939000       11.51000      0.6400000       1.460000      0.8731000
  1 1 1     -23  -16   20 o    3.120000      0.6600000       2.307000 0.9333000       3.932000      0.9334000      -1.625000       1.320000
  1 1 1     -23  -16   21 o    3.708000      0.6920000       3.586000 0.9710000       3.831000      0.9862000     -0.2455000       1.384000
  1 1 1     -23  -16   22 o    7.029000      0.4252000       7.222000 0.5744000       6.836000      0.6269000      0.3864000      0.8503000
  1 1 1     -23  -16   23 o    3.173000      0.6443000       4.197000 0.8884000       2.150000      0.9334000       2.047000       1.289000
  1 1 1     -23  -16   24 o    6.732000      0.4580000       6.968000 0.6100000       6.497000      0.6833000      0.4708000      0.9160000
  1 1 1     -23  -16   25 o    1.978000      0.6295000       2.241000 0.9599000       1.715000      0.8146000      0.5257000       1.259000
  1 1 1     -23  -16   26 o    1.975000      0.6209000       1.756000 0.8288000       2.193000      0.9247000     -0.4376000       1.242000
  1 1 1     -23  -16   27 o    2.709000      0.7126000       2.380000 0.9748000       3.038000       1.040000     -0.6585000       1.425000
  1 1 1     -23  -16   28 o    3.096000      0.6927000       2.220000 0.9471000       3.973000       1.011000      -1.753000       1.385000
  1 1 1     -23  -16   29 o    5.261000      0.5559000       6.038000 0.6510000       4.484000      0.9013000       1.554000       1.112000
  1 1 1     -23  -15    1 o    7.108000      0.4175000       7.707000 0.5018000       6.509000      0.6674000       1.198000      0.8350000
  1 1 1     -23  -15    2 f    3.470000      0.5149000       3.553000 0.7027000       3.387000      0.7529000      0.1663000       1.030000
  1 1 1     -23  -15    3 o    2.534000      0.5838000       2.699000 0.8348000       2.369000      0.8163000      0.3304000       1.168000
  1 1 1     -23  -15    4 o    6.212000      0.3148000       6.415000 0.4267000       6.009000      0.4630000      0.4062000      0.6296000
  1 1 1     -23  -15    5 o    7.796000      0.2808000       7.964000 0.3999000       7.627000      0.3943000      0.3367000      0.5616000
  1 1 1     -23  -15    6 o    3.933000      0.5141000       4.326000 0.6346000       3.540000      0.8089000      0.7860000       1.028000
  1 1 1     -23  -15    7 o    8.262000      0.2819000       7.779000 0.3986000       8.745000      0.3989000     -0.9663000      0.5639000
  1 1 1     -23  -15    8 f    3.633000      0.5316000       4.028000 0.6798000       3.238000      0.8173000      0.7902000       1.063000
  1 1 1     -23  -15    9 o    3.403000      0.5683000       2.944000 0.8466000       3.862000      0.7584000     -0.9185000       1.137000
  1 1 1     -23  -15   10 o    9.506000      0.2834000       9.546000 0.3975000       9.466000      0.4041000      0.8027000E-01  0.5668000
  1 1 1     -23  -15   11 o    5.873000      0.3733000       5.831000 0.5087000       5.916000      0.5465000     -0.8527000E-01  0.7466000
  1 1 1     -23  -15   12 o    10.55000      0.2827000       10.37000 0.3987000       10.74000      0.4009000     -0.3710000      0.5654000
  1 1 1     -23  -15   13 o    13.18000      0.2874000       13.21000 0.4055000       13.14000      0.4073000      0.6884000E-01  0.5748000
  1 1 1     -23  -15   14 o    14.41000      0.2904000       14.53000 0.4095000       14.29000      0.4119000      0.2425000      0.5808000
  1 1 1     -23  -15   15 f    13.72000      0.2924000       14.03000 0.4094000       13.42000      0.4176000      0.6166000      0.5848000
  1 1 1     -23  -15   16 o    5.847000      0.5968000       5.279000 0.9522000       6.414000      0.7198000      -1.135000       1.194000
  1 1 1     -23  -15   17 o    4.979000      0.4891000       4.842000 0.6974000       5.115000      0.6860000     -0.2734000      0.9782000
  1 1 1     -23  -15   18 o    2.992000      0.6865000       2.690000 0.9586000       3.294000      0.9830000     -0.6037000       1.373000
  1 1 1     -23  -15   19 o    14.28000      0.4402000       14.61000 0.5925000       13.95000      0.6511000      0.6607000      0.8803000
  1 1 1     -23  -15   20 o    6.168000      0.4477000       5.579000 0.6687000       6.757000      0.5955000      -1.178000      0.8954000
  1 1 1     -23  -15   21 o    5.253000      0.5285000       4.431000 0.8226000       6.074000      0.6638000      -1.643000       1.057000
  1 1 1     -23  -15   22 o    5.755000      0.5161000       5.758000 0.6954000       5.752000      0.7628000      0.6495000E-02   1.032000
  1 1 1     -23  -15   23 o    3.515000      0.7094000       3.999000 0.9687000       3.030000       1.037000      0.9692000       1.419000
  1 1 1     -23  -15   24 o    7.140000      0.4359000       6.377000 0.6514000       7.902000      0.5792000      -1.525000      0.8717000
  1 1 1     -23  -15   25 o    3.631000      0.7340000       3.946000 1.006000       3.316000       1.069000      0.6306000       1.468000
  1 1 1     -23  -15   26 o    4.013000      0.6951000       4.215000 0.9678000       3.810000      0.9981000      0.4045000       1.390000
  1 1 1     -23  -15   27 o    2.556000      0.6900000       2.180000 0.9350000       2.933000       1.015000     -0.7530000       1.380000
  1 1 1     -23  -15   28 o    8.645000      0.4656000       9.091000 0.5015000       8.200000      0.7846000      0.8915000      0.9312000
  1 1 1     -23  -15   29 o    2.607000      0.7049000       2.358000 0.9596000       2.856000       1.033000     -0.4978000       1.410000
  1 1 1     -23  -14    1 o    4.674000      0.4984000       4.674000 0.4984000                  ?              ?              ?              ?
  1 1 1     -23  -14    2 o    14.94000      0.3754000       15.61000 0.5274000       14.27000      0.5343000       1.339000      0.7507000
  1 1 1     -23  -14    3 o    3.725000      0.6619000                  ?       ?   3.725000      0.6619000                  ?              ?
  1 1 1     -23  -14    4 o    7.021000      0.2928000       6.967000 0.4170000       7.076000      0.4113000     -0.1090000      0.5857000
  1 1 1     -23  -14    5 o    7.287000      0.2882000       7.242000 0.4080000       7.331000      0.4071000     -0.8981000E-01  0.5763000
  1 1 1     -23  -14    6 o    9.973000      0.2641000       10.00000 0.3680000       9.946000      0.3790000      0.5472000E-01  0.5282000
  1 1 1     -23  -14    7 o    2.371000      0.5759000       2.758000 0.8191000       1.984000      0.8099000      0.7742000       1.152000
  1 1 1     -23  -14    8 o    5.859000      0.3514000       5.740000 0.4962000       5.979000      0.4976000     -0.2399000      0.7028000
  1 1 1     -23  -14    9 o    2.061000      0.5857000       2.001000 0.8117000       2.120000      0.8447000     -0.1188000       1.171000
  1 1 1     -23  -14   10 o    10.52000      0.2783000       10.16000 0.3935000       10.87000      0.3937000     -0.7014000      0.5566000
  1 1 1     -23  -14   11 o    2.293000      0.6022000       2.357000 0.8465000       2.229000      0.8568000      0.1277000       1.204000
  1 1 1     -23  -14   12 o    3.471000      0.5668000       3.305000 0.8369000       3.637000      0.7646000     -0.3320000       1.134000
  1 1 1     -23  -14   13 o    14.70000      0.2862000       14.41000 0.3988000       14.99000      0.4106000     -0.5730000      0.5724000
  1 1 1     -23  -14   14 f    8.906000      0.3063000       8.918000 0.4275000       8.894000      0.4388000      0.2392000E-01  0.6126000
  1 1 1     -23  -14   15 o    7.413000      0.3399000       6.905000 0.4954000       7.920000      0.4656000      -1.016000      0.6798000
  1 1 1     -23  -14   16 o    7.793000      0.4840000       8.108000 0.7013000       7.479000      0.6674000      0.6290000      0.9681000
  1 1 1     -23  -14   17 o    5.276000      0.5509000       5.569000 0.5864000       4.984000      0.9329000      0.5850000       1.102000
  1 1 1     -23  -14   18 o    6.131000      0.4321000       5.329000 0.6734000       6.933000      0.5417000      -1.604000      0.8643000
  1 1 1     -23  -14   19 o    12.66000      0.4408000       12.55000 0.5886000       12.77000      0.6563000     -0.2179000      0.8816000
  1 1 1     -23  -14   20 o    7.186000      0.3845000       7.012000 0.5484000       7.360000      0.5391000     -0.3481000      0.7690000
  1 1 1     -23  -14   21 o    5.839000      0.4787000       5.587000 0.6951000       6.091000      0.6583000     -0.5044000      0.9573000
  1 1 1     -23  -14   22 o    2.356000      0.6622000       1.813000 0.8426000       2.899000       1.022000      -1.086000       1.324000
  1 1 1     -23  -14   23 o    7.676000      0.4092000       7.809000 0.5660000       7.543000      0.5911000      0.2664000      0.8184000
  1 1 1     -23  -14   24 o    2.739000      0.7221000       2.347000 0.9837000       3.132000       1.058000     -0.7853000       1.444000
  1 1 1     -23  -14   25 o    4.005000      0.6423000       2.496000 1.010000       5.513000      0.7938000      -3.017000       1.285000
  1 1 1     -23  -14   26 o    2.080000      0.6364000       1.536000 0.7520000       2.625000       1.027000      -1.089000       1.273000
  1 1 1     -23  -14   27 o    2.160000      0.6599000       2.396000 0.9825000       1.924000      0.8814000      0.4723000       1.320000
  1 1 1     -23  -14   28 o    8.676000      0.3712000       8.833000 0.5149000       8.519000      0.5349000      0.3149000      0.7424000
  1 1 1     -23  -14   29 o    5.364000      0.5515000       6.382000 0.6228000       4.346000      0.9103000       2.036000       1.103000
  1 1 1     -23  -13    1 o    2.770000      0.7788000       2.770000 0.7788000                  ?              ?              ?              ?
  1 1 1     -23  -13    2 o    13.10000      0.3565000       12.99000 0.4885000       13.20000      0.5194000     -0.2126000      0.7131000
  1 1 1     -23  -13    3 o    8.233000      0.5608000                  ?       ?   8.233000      0.5608000                  ?              ?
  1 1 1     -23  -13    4 o    10.01000      0.2591000       10.27000 0.3623000       9.759000      0.3705000      0.5106000      0.5182000
  1 1 1     -23  -13    5 f    6.315000      0.3165000       6.771000 0.4270000       5.860000      0.4674000      0.9112000      0.6330000
  1 1 1     -23  -13    6 o    2.639000      0.5697000       2.783000 0.7943000       2.495000      0.8170000      0.2873000       1.139000
  1 1 1     -23  -13    7 o    2.589000      0.5535000       3.227000 0.7623000       1.951000      0.8028000       1.276000       1.107000
  1 1 1     -23  -13    8 o    10.13000      0.2699000       10.26000 0.3703000       9.997000      0.3926000      0.2671000      0.5397000
  1 1 1     -23  -13    9 o    3.928000      0.5044000       3.800000 0.7132000       4.055000      0.7136000     -0.2546000       1.009000
  1 1 1     -23  -13   10 o    9.128000      0.2793000       9.190000 0.3917000       9.067000      0.3982000      0.1230000      0.5586000
  1 1 1     -23  -13   11 f    8.644000      0.2891000       8.823000 0.3987000       8.465000      0.4187000      0.3578000      0.5782000
  1 1 1     -23  -13   12 o    10.84000      0.2763000       11.10000 0.3855000       10.58000      0.3959000      0.5155000      0.5526000
  1 1 1     -23  -13   13 o    15.20000      0.2876000       14.96000 0.4005000       15.44000      0.4128000     -0.4851000      0.5752000
  1 1 1     -23  -13   14 o    13.19000      0.2869000       13.30000 0.4031000       13.07000      0.4083000      0.2328000      0.5738000
  1 1 1     -23  -13   15 o    11.10000      0.2908000       11.36000 0.4060000       10.84000      0.4164000      0.5119000      0.5815000
  1 1 1     -23  -13   16 o    2.475000      0.7305000       2.448000 1.043000       2.503000       1.023000     -0.5514000E-01   1.461000
  1 1 1     -23  -13   17 o    11.68000      0.4279000       11.77000 0.6341000       11.60000      0.5746000      0.1681000      0.8557000
  1 1 1     -23  -13   18 o    10.85000      0.3115000       10.70000 0.4391000       11.00000      0.4418000     -0.3041000      0.6229000
  1 1 1     -23  -13   19 o    9.941000      0.4656000       9.298000 0.6363000       10.58000      0.6800000      -1.287000      0.9313000
  1 1 1     -23  -13   20 o    3.788000      0.8306000       3.632000 1.131000       3.944000       1.217000     -0.3118000       1.661000
  1 1 1     -23  -13   21 o    1.944000      0.6002000       2.471000 0.9757000       1.417000      0.6995000       1.054000       1.200000
  1 1 1     -23  -13   22 o    5.821000      0.5082000       6.340000 0.6477000       5.301000      0.7832000       1.038000       1.016000
  1 1 1     -23  -13   23 o    8.290000      0.3851000       8.151000 0.5415000       8.430000      0.5476000     -0.2789000      0.7701000
  1 1 1     -23  -13   24 o    3.702000      0.6995000       4.571000 0.9300000       2.832000       1.045000       1.739000       1.399000
  1 1 1     -23  -13   25 o    4.571000      0.6467000       4.262000 0.9536000       4.881000      0.8740000     -0.6183000       1.293000
  1 1 1     -23  -13   26 o    2.604000      0.6664000       1.835000 0.8532000       3.373000       1.024000      -1.538000       1.333000
  1 1 1     -23  -13   27 o    3.198000      0.7287000       2.940000 1.026000       3.457000       1.035000     -0.5165000       1.457000
  1 1 1     -23  -13   28 o    2.691000      0.7129000       2.852000 1.026000       2.530000      0.9905000      0.3222000       1.426000
  1 1 1     -23  -13   29 o    2.289000      0.6609000       1.925000 0.8561000       2.653000       1.007000     -0.7276000       1.322000
  1 1 1     -23  -12    1 o    9.391000      0.2516000       9.660000 0.3547000       9.122000      0.3569000      0.5375000      0.5032000
  1 1 1     -23  -12    2 o    9.339000      0.2486000       9.722000 0.3460000       8.955000      0.3570000      0.7667000      0.4972000
  1 1 1     -23  -12    3 o    18.15000      0.4149000       17.59000 0.5641000       18.70000      0.6084000      -1.114000      0.8297000
  1 1 1     -23  -12    4 o    9.666000      0.2595000       9.876000 0.3640000       9.455000      0.3700000      0.4209000      0.5190000
  1 1 1     -23  -12    5 o    4.545000      0.4090000       4.678000 0.5612000       4.411000      0.5952000      0.2668000      0.8181000
  1 1 1     -23  -12    6 o    5.646000      0.3389000       5.468000 0.4959000       5.824000      0.4619000     -0.3556000      0.6777000
  1 1 1     -23  -12    7 o    8.054000      0.2864000       8.258000 0.3944000       7.850000      0.4153000      0.4078000      0.5727000
  1 1 1     -23  -12    8 o    10.60000      0.2666000       10.58000 0.3714000       10.63000      0.3826000     -0.4902000E-01  0.5332000
  1 1 1     -23  -12    9 o    7.580000      0.3098000       8.055000 0.4111000       7.105000      0.4635000      0.9501000      0.6196000
  1 1 1     -23  -12   10 o    3.521000      0.5369000       2.963000 0.8282000       4.080000      0.6835000      -1.116000       1.074000
  1 1 1     -23  -12   11 o    7.284000      0.3183000       6.801000 0.4665000       7.767000      0.4332000     -0.9652000      0.6366000
  1 1 1     -23  -12   12 o    4.845000      0.4440000       5.382000 0.5417000       4.308000      0.7036000       1.074000      0.8880000
  1 1 1     -23  -12   13 o    8.516000      0.2987000       8.179000 0.4232000       8.852000      0.4215000     -0.6727000      0.5973000
  1 1 1     -23  -12   14 o    11.04000      0.2862000       11.22000 0.4035000       10.86000      0.4061000      0.3603000      0.5725000
  1 1 1     -23  -12   15 o    20.59000      0.3346000       20.45000 0.4697000       20.73000      0.4767000     -0.2844000      0.6692000
  1 1 1     -23  -12   16 o    17.21000      0.3092000       17.13000 0.4324000       17.28000      0.4420000     -0.1439000      0.6183000
  1 1 1     -23  -12   17 o    10.83000      0.4223000       11.73000 0.6107000       9.923000      0.5835000       1.808000      0.8447000
  1 1 1     -23  -12   18 o    12.75000      0.3009000       12.58000 0.4220000       12.91000      0.4289000     -0.3316000      0.6017000
  1 1 1     -23  -12   19 o    10.86000      0.3748000       10.61000 0.6142000       11.11000      0.4298000     -0.4972000      0.7496000
  1 1 1     -23  -12   20 o    8.147000      0.5190000       8.456000 0.6634000       7.839000      0.7982000      0.6166000       1.038000
  1 1 1     -23  -12   21 o    2.645000      0.6832000       3.165000 1.011000       2.125000      0.9199000       1.040000       1.366000
  1 1 1     -23  -12   22 o    8.535000      0.3838000       7.955000 0.5610000       9.115000      0.5239000      -1.160000      0.7676000
  1 1 1     -23  -12   23 o    5.601000      0.5137000       6.000000 0.6668000       5.203000      0.7816000      0.7974000       1.027000
  1 1 1     -23  -12   24 o    7.462000      0.4135000       6.886000 0.6067000       8.037000      0.5621000      -1.151000      0.8271000
  1 1 1     -23  -12   25 o    6.724000      0.4505000       5.993000 0.6876000       7.455000      0.5821000      -1.461000      0.9009000
  1 1 1     -23  -12   26 o    3.217000      0.7201000       3.387000 1.015000       3.047000       1.022000      0.3397000       1.440000
  1 1 1     -23  -12   27 o    2.783000      0.7079000       2.421000 0.9849000       3.145000       1.017000     -0.7239000       1.416000
  1 1 1     -23  -12   28 o    5.949000      0.4870000       5.900000 0.7095000       5.999000      0.6671000     -0.9995000E-01  0.9739000
  1 1 1     -23  -12   29 o    2.581000      0.6911000       2.229000 0.9313000       2.934000       1.021000     -0.7056000       1.382000
  1 1 1     -23  -11    1 o    7.187000      0.2793000       7.223000 0.3899000       7.152000      0.4000000      0.7095000E-01  0.5586000
  1 1 1     -23  -11    2 o    6.410000      0.2929000       6.366000 0.4110000       6.454000      0.4173000     -0.8802000E-01  0.5857000
  1 1 1     -23  -11    3 o    17.83000      0.4103000       17.98000 0.5752000       17.68000      0.5852000      0.2975000      0.8205000
  1 1 1     -23  -11    4 o    8.079000      0.2764000       8.174000 0.3966000       7.983000      0.3851000      0.1908000      0.5528000
  1 1 1     -23  -11    5 o    4.650000      0.3903000       5.054000 0.5146000       4.247000      0.5870000      0.8065000      0.7806000
  1 1 1     -23  -11    6 o    5.609000      0.3322000       5.964000 0.4553000       5.254000      0.4840000      0.7103000      0.6645000
  1 1 1     -23  -11    7 o    13.61000      0.2662000       13.57000 0.3727000       13.65000      0.3802000     -0.7467000E-01  0.5324000
  1 1 1     -23  -11    8 o    13.16000      0.2659000       13.22000 0.3709000       13.10000      0.3813000      0.1197000      0.5319000
  1 1 1     -23  -11    9 o    1.619000      0.5152000       1.768000 0.7677000       1.470000      0.6874000      0.2981000       1.030000
  1 1 1     -23  -11   10 o    3.183000      0.5710000       3.741000 0.7395000       2.624000      0.8702000       1.117000       1.142000
  1 1 1     -23  -11   11 o    10.60000      0.3401000       10.62000 0.5604000       10.58000      0.3855000      0.3993000E-01  0.6802000
  1 1 1     -23  -11   12 o    9.243000      0.2846000       9.342000 0.4014000       9.144000      0.4036000      0.1981000      0.5692000
  1 1 1     -23  -11   13 o    11.50000      0.2800000       11.80000 0.3924000       11.19000      0.3994000      0.6078000      0.5600000
  1 1 1     -23  -11   14 o    5.562000      0.4074000       5.285000 0.5970000       5.838000      0.5545000     -0.5530000      0.8148000
  1 1 1     -23  -11   15 o    12.64000      0.2888000       12.58000 0.4079000       12.71000      0.4090000     -0.1225000      0.5777000
  1 1 1     -23  -11   16 o    15.96000      0.3030000       16.05000 0.4300000       15.87000      0.4270000      0.1776000      0.6060000
  1 1 1     -23  -11   17 o    8.550000      0.4662000       8.114000 0.7090000       8.987000      0.6055000     -0.8728000      0.9324000
  1 1 1     -23  -11   18 o    6.067000      0.4140000       5.954000 0.5901000       6.180000      0.5809000     -0.2260000      0.8280000
  1 1 1     -23  -11   19 o    17.80000      0.3218000       17.58000 0.4510000       18.01000      0.4592000     -0.4276000      0.6436000
  1 1 1     -23  -11   20 o    7.522000      0.5552000       7.684000 0.7196000       7.360000      0.8455000      0.3242000       1.110000
  1 1 1     -23  -11   21 o    2.124000      0.6368000       2.356000 0.9417000       1.892000      0.8575000      0.4645000       1.274000
  1 1 1     -23  -11   22 o    2.714000      0.7053000       2.217000 0.9452000       3.210000       1.047000     -0.9935000       1.411000
  1 1 1     -23  -11   23 o    6.631000      0.4531000       7.015000 0.6053000       6.247000      0.6743000      0.7679000      0.9062000
  1 1 1     -23  -11   24 o    7.291000      0.4076000       7.134000 0.5782000       7.448000      0.5747000     -0.3143000      0.8152000
  1 1 1     -23  -11   25 f    3.564000      0.6968000       3.748000 0.9550000       3.380000       1.015000      0.3681000       1.394000
  1 1 1     -23  -11   26 o    3.815000      0.6840000       3.588000 0.9912000       4.041000      0.9428000     -0.4534000       1.368000
  1 1 1     -23  -11   27 o    2.898000      0.7263000       2.817000 1.033000       2.980000       1.021000     -0.1622000       1.453000
  1 1 1     -23  -11   28 o    4.594000      0.6132000       5.070000 0.8167000       4.118000      0.9149000      0.9511000       1.226000
  1 1 1     -23  -11   29 o    2.447000      0.6833000       2.086000 0.9107000       2.808000       1.019000     -0.7222000       1.367000
  1 1 1     -23  -10    1 o    11.28000      0.2405000       11.03000 0.3353000       11.54000      0.3450000     -0.5089000      0.4811000
  1 1 1     -23  -10    2 o    11.45000      0.2467000       11.95000 0.3513000       10.95000      0.3465000      0.9917000      0.4934000
  1 1 1     -23  -10    3 o    21.40000      0.4625000       21.51000 0.6494000       21.30000      0.6586000      0.2059000      0.9249000
  1 1 1     -23  -10    4 o    12.38000      0.3626000       11.79000 0.4904000       12.97000      0.5341000      -1.181000      0.7251000
  1 1 1     -23  -10    5 o    9.276000      0.2568000       9.444000 0.3598000       9.107000      0.3664000      0.3371000      0.5136000
  1 1 1     -23  -10    6 o    7.908000      0.2738000       8.351000 0.3868000       7.464000      0.3875000      0.8871000      0.5475000
  1 1 1     -23  -10    7 o    6.742000      0.2974000       6.780000 0.4287000       6.704000      0.4122000      0.7568000E-01  0.5947000
  1 1 1     -23  -10    8 o    8.784000      0.2743000       9.028000 0.3813000       8.540000      0.3945000      0.4885000      0.5487000
  1 1 1     -23  -10    9 o    10.62000      0.2669000       10.84000 0.3707000       10.41000      0.3842000      0.4310000      0.5339000
  1 1 1     -23  -10   10 o    3.134000      0.5833000       2.875000 0.8533000       3.394000      0.7954000     -0.5194000       1.167000
  1 1 1     -23  -10   11 o    5.125000      0.3971000       4.882000 0.5742000       5.367000      0.5486000     -0.4857000      0.7941000
  1 1 1     -23  -10   12 o    6.706000      0.3291000       6.526000 0.4712000       6.885000      0.4596000     -0.3594000      0.6582000
  1 1 1     -23  -10   13 o    10.25000      0.2787000       10.40000 0.3927000       10.11000      0.3955000      0.2833000      0.5574000
  1 1 1     -23  -10   14 o    7.632000      0.3239000       7.261000 0.4719000       8.004000      0.4437000     -0.7434000      0.6477000
  1 1 1     -23  -10   15 o    5.293000      0.4265000       5.352000 0.5866000       5.235000      0.6193000      0.1176000      0.8530000
  1 1 1     -23  -10   16 o    12.55000      0.2863000       13.19000 0.4020000       11.91000      0.4078000       1.274000      0.5726000
  1 1 1     -23  -10   17 o    7.483000      0.4865000       7.784000 0.6907000       7.183000      0.6855000      0.6009000      0.9731000
  1 1 1     -23  -10   18 o    7.271000      0.3667000       7.307000 0.5063000       7.235000      0.5306000      0.7139000E-01  0.7334000
  1 1 1     -23  -10   19 o    13.74000      0.3068000       13.72000 0.4320000       13.77000      0.4358000     -0.4838000E-01  0.6137000
  1 1 1     -23  -10   20 o    8.614000      0.5028000       8.677000 0.6802000       8.551000      0.7406000      0.1263000       1.006000
  1 1 1     -23  -10   21 o    5.271000      0.5038000       5.040000 0.7278000       5.501000      0.6967000     -0.4615000       1.008000
  1 1 1     -23  -10   22 o    8.151000      0.3886000       8.543000 0.5231000       7.758000      0.5750000      0.7853000      0.7773000
  1 1 1     -23  -10   23 o    9.857000      0.3531000       9.695000 0.4969000       10.02000      0.5018000     -0.3257000      0.7062000
  1 1 1     -23  -10   24 o    4.696000      0.6202000       5.599000 0.7114000       3.794000       1.016000       1.804000       1.240000
  1 1 1     -23  -10   25 o    5.452000      0.5398000       4.928000 0.8321000       5.976000      0.6880000      -1.048000       1.080000
  1 1 1     -23  -10   26 o    3.771000      0.6933000       3.101000 1.054000       4.440000      0.9014000      -1.339000       1.387000
  1 1 1     -23  -10   27 o    6.142000      0.4658000       5.805000 0.7027000       6.480000      0.6116000     -0.6757000      0.9315000
  1 1 1     -23  -10   28 o    2.476000      0.6746000       1.964000 0.8845000       2.989000       1.019000      -1.025000       1.349000
  1 1 1     -23  -10   29 o    3.140000      0.6995000       3.571000 0.9780000       2.709000       1.000000      0.8622000       1.399000
  1 1 1     -23   -9    1 o    4.682000      0.5064000       4.697000 0.7263000       4.667000      0.7059000      0.3018000E-01   1.013000
  1 1 1     -23   -9    2 o    16.14000      0.3863000       16.14000 0.3863000                  ?              ?              ?              ?
  1 1 1     -23   -9    3 o    13.53000      0.3657000       13.86000 0.5102000       13.19000      0.5241000      0.6696000      0.7314000
  1 1 1     -23   -9    4 o    10.27000      0.5386000                  ?       ?   10.27000      0.5386000                  ?              ?
  1 1 1     -23   -9    5 o    16.67000      0.2813000       16.74000 0.3986000       16.61000      0.3970000      0.1248000      0.5626000
  1 1 1     -23   -9    6 o    14.02000      0.2631000       14.23000 0.3753000       13.80000      0.3689000      0.4229000      0.5262000
  1 1 1     -23   -9    7 o    10.23000      0.2570000       10.55000 0.3628000       9.907000      0.3641000      0.6415000      0.5140000
  1 1 1     -23   -9    8 o    12.63000      0.2631000       12.86000 0.3682000       12.40000      0.3760000      0.4565000      0.5263000
  1 1 1     -23   -9    9 o    6.555000      0.3227000       6.337000 0.4609000       6.773000      0.4516000     -0.4362000      0.6453000
  1 1 1     -23   -9   10 o    7.173000      0.3031000       6.970000 0.4349000       7.376000      0.4224000     -0.4052000      0.6063000
  1 1 1     -23   -9   11 o    13.90000      0.2742000       14.23000 0.3868000       13.57000      0.3886000      0.6625000      0.5483000
  1 1 1     -23   -9   12 o    5.707000      0.3657000       5.915000 0.4943000       5.499000      0.5393000      0.4160000      0.7315000
  1 1 1     -23   -9   13 o    2.174000      0.6005000       2.381000 0.8746000       1.966000      0.8230000      0.4148000       1.201000
  1 1 1     -23   -9   14 o    9.614000      0.2860000       9.248000 0.4050000       9.981000      0.4038000     -0.7330000      0.5719000
  1 1 1     -23   -9   15 f    9.526000      0.3555000       8.975000 0.4218000       10.08000      0.5724000      -1.104000      0.7110000
  1 1 1     -23   -9   16 o    10.80000      0.2920000       10.44000 0.4173000       11.16000      0.4087000     -0.7237000      0.5841000
  1 1 1     -23   -9   17 f    3.401000      0.7899000       3.808000 1.148000       2.995000       1.086000      0.8127000       1.580000
  1 1 1     -23   -9   18 o    9.057000      0.3824000       8.978000 0.4547000       9.137000      0.6148000     -0.1587000      0.7647000
  1 1 1     -23   -9   19 o    4.629000      0.5498000       4.662000 0.7860000       4.596000      0.7691000      0.6551000E-01   1.100000
  1 1 1     -23   -9   20 o    10.50000      0.4399000       11.24000 0.6073000       9.769000      0.6366000       1.471000      0.8798000
  1 1 1     -23   -9   21 o    2.975000      0.6809000       2.720000 0.9789000       3.230000      0.9466000     -0.5095000       1.362000
  1 1 1     -23   -9   22 o    6.947000      0.4159000       6.547000 0.6304000       7.346000      0.5426000     -0.7991000      0.8318000
  1 1 1     -23   -9   23 o    2.967000      0.6723000       3.729000 0.9724000       2.206000      0.9287000       1.523000       1.345000
  1 1 1     -23   -9   24 o    6.557000      0.4349000       7.058000 0.5761000       6.056000      0.6517000       1.002000      0.8699000
  1 1 1     -23   -9   25 o    3.789000      0.7029000       3.890000 0.9884000       3.688000      0.9998000      0.2012000       1.406000
  1 1 1     -23   -9   26 o    5.213000      0.5542000       4.748000 0.8711000       5.678000      0.6854000     -0.9306000       1.108000
  1 1 1     -23   -9   27 o    6.708000      0.4215000       6.362000 0.6240000       7.054000      0.5668000     -0.6922000      0.8429000
  1 1 1     -23   -9   28 o    3.246000      0.6949000       2.870000 1.017000       3.621000      0.9473000     -0.7509000       1.390000
  1 1 1     -23   -9   29 o    3.339000      0.6598000       4.076000 0.9011000       2.603000      0.9640000       1.473000       1.320000
  1 1 1     -23   -8    1 o    5.494000      0.4888000       4.949000 0.7279000       6.039000      0.6525000      -1.090000      0.9775000
  1 1 1     -23   -8    2 o    12.87000      0.3548000       12.87000 0.3548000                  ?              ?              ?              ?
  1 1 1     -23   -8    3 o    16.61000      0.3938000       16.46000 0.5500000       16.76000      0.5637000     -0.3036000      0.7876000
  1 1 1     -23   -8    4 o    15.04000      0.5439000                  ?       ?   15.04000      0.5439000                  ?              ?
  1 1 1     -23   -8    5 o    18.22000      0.2954000       18.43000 0.4205000       18.02000      0.4151000      0.4143000      0.5909000
  1 1 1     -23   -8    6 o    12.99000      0.2593000       13.14000 0.3685000       12.84000      0.3649000      0.3011000      0.5187000
  1 1 1     -23   -8    7 o    7.032000      0.2873000       7.243000 0.4113000       6.821000      0.4012000      0.4221000      0.5746000
  1 1 1     -23   -8    8 o    2.175000      0.5558000       2.610000 0.8156000       1.741000      0.7554000      0.8686000       1.112000
  1 1 1     -23   -8    9 o    13.62000      0.2702000       13.58000 0.3773000       13.65000      0.3868000     -0.6622000E-01  0.5403000
  1 1 1     -23   -8   10 o    3.154000      0.5660000       3.531000 0.7547000       2.776000      0.8438000      0.7551000       1.132000
  1 1 1     -23   -8   11 o    6.432000      0.3375000       6.115000 0.4817000       6.748000      0.4728000     -0.6334000      0.6750000
  1 1 1     -23   -8   12 o    5.026000      0.4070000       4.890000 0.5806000       5.162000      0.5705000     -0.2716000      0.8139000
  1 1 1     -23   -8   13 o    6.107000      0.3683000       6.221000 0.5056000       5.992000      0.5357000      0.2282000      0.7366000
  1 1 1     -23   -8   14 o    14.51000      0.2831000       14.67000 0.4018000       14.35000      0.3990000      0.3183000      0.5663000
  1 1 1     -23   -8   15 o    3.062000      0.5918000       2.444000 0.8748000       3.680000      0.7972000      -1.235000       1.184000
  1 1 1     -23   -8   16 o    9.608000      0.2946000       9.763000 0.4220000       9.453000      0.4111000      0.3100000      0.5891000
  1 1 1     -23   -8   17 o    4.888000      0.6674000       5.010000 0.9511000       4.766000      0.9367000      0.2442000       1.335000
  1 1 1     -23   -8   18 o    8.419000      0.3241000       8.839000 0.4506000       7.998000      0.4659000      0.8410000      0.6481000
  1 1 1     -23   -8   19 o    2.366000      0.6146000       2.484000 0.8926000       2.248000      0.8450000      0.2357000       1.229000
  1 1 1     -23   -8   20 o    3.477000      0.8174000       3.289000 1.127000       3.664000       1.184000     -0.3747000       1.635000
  1 1 1     -23   -8   21 f    2.000000      0.6131000       2.204000 0.9152000       1.797000      0.8162000      0.4077000       1.226000
  1 1 1     -23   -8   22 o    2.703000      0.7012000       2.833000 1.011000       2.572000      0.9717000      0.2613000       1.402000
  1 1 1     -23   -8   23 o    2.981000      0.7069000       2.804000 1.013000       3.157000      0.9857000     -0.3525000       1.414000
  1 1 1     -23   -8   24 o    3.338000      0.6931000       2.636000 1.014000       4.040000      0.9447000      -1.404000       1.386000
  1 1 1     -23   -8   25 o    5.032000      0.5604000       5.111000 0.7968000       4.953000      0.7882000      0.1585000       1.121000
  1 1 1     -23   -8   26 o    9.085000      0.3506000       8.828000 0.5095000       9.343000      0.4819000     -0.5151000      0.7013000
  1 1 1     -23   -8   27 o    2.630000      0.6966000       2.468000 0.9764000       2.791000      0.9938000     -0.3229000       1.393000
  1 1 1     -23   -8   28 o    5.586000      0.4906000       4.981000 0.7728000       6.190000      0.6047000      -1.209000      0.9812000
  1 1 1     -23   -8   29 o    3.544000      0.6763000       3.712000 0.9457000       3.375000      0.9672000      0.3368000       1.353000
  1 1 1     -23   -7    1 o    3.596000      0.6241000       4.156000 0.8064000       3.035000      0.9528000       1.121000       1.248000
  1 1 1     -23   -7    2 f    7.895000      0.2666000       7.905000 0.3680000       7.884000      0.3858000      0.2053000E-01  0.5332000
  1 1 1     -23   -7    3 o    5.826000      0.4532000       6.893000 0.5391000       4.760000      0.7288000       2.133000      0.9065000
  1 1 1     -23   -7    4 o    4.532000      0.5574000       4.719000 0.7657000       4.346000      0.8102000      0.3728000       1.115000
  1 1 1     -23   -7    5 o    9.698000      0.2525000       9.784000 0.3600000       9.613000      0.3542000      0.1712000      0.5050000
  1 1 1     -23   -7    6 o    12.40000      0.2542000       12.31000 0.3636000       12.49000      0.3555000     -0.1848000      0.5085000
  1 1 1     -23   -7    7 o    16.32000      0.2808000       16.08000 0.3965000       16.55000      0.3977000     -0.4694000      0.5616000
  1 1 1     -23   -7    8 o    13.03000      0.2622000       12.58000 0.3677000       13.49000      0.3738000     -0.9157000      0.5243000
  1 1 1     -23   -7    9 o    23.17000      0.3497000       23.00000 0.4911000       23.35000      0.4978000     -0.3532000      0.6993000
  1 1 1     -23   -7   10 o    10.73000      0.2633000       11.15000 0.3716000       10.30000      0.3732000      0.8492000      0.5267000
  1 1 1     -23   -7   11 o    13.70000      0.2707000       13.42000 0.3812000       13.97000      0.3843000     -0.5477000      0.5413000
  1 1 1     -23   -7   12 o    16.17000      0.2871000       16.18000 0.4052000       16.16000      0.4069000      0.2142000E-01  0.5743000
  1 1 1     -23   -7   13 o    16.91000      0.2942000       17.23000 0.4188000       16.59000      0.4132000      0.6417000      0.5883000
  1 1 1     -23   -7   14 o    14.33000      0.2821000       13.88000 0.3962000       14.77000      0.4018000     -0.8931000      0.5643000
  1 1 1     -23   -7   15 o    15.20000      0.2894000       15.22000 0.4106000       15.18000      0.4078000      0.3920000E-01  0.5787000
  1 1 1     -23   -7   16 f    7.532000      0.3555000       7.116000 0.4253000       7.949000      0.5698000     -0.8329000      0.7110000
  1 1 1     -23   -7   17 o    5.939000      0.5348000       5.663000 0.8262000       6.214000      0.6793000     -0.5511000       1.070000
  1 1 1     -23   -7   18 o    8.373000      0.3205000       7.859000 0.4657000       8.886000      0.4405000      -1.027000      0.6411000
  1 1 1     -23   -7   19 o    9.796000      0.4540000       10.04000 0.6229000       9.557000      0.6607000      0.4787000      0.9080000
  1 1 1     -23   -7   20 o    10.96000      0.4392000       10.64000 0.6028000       11.29000      0.6389000     -0.6547000      0.8784000
  1 1 1     -23   -7   21 o    2.614000      0.6607000       3.010000 0.9631000       2.218000      0.9047000      0.7920000       1.321000
  1 1 1     -23   -7   22 o    4.255000      0.6066000       4.493000 0.8252000       4.018000      0.8894000      0.4745000       1.213000
  1 1 1     -23   -7   23 o    2.027000      0.6198000       1.779000 0.8167000       2.275000      0.9325000     -0.4969000       1.240000
  1 1 1     -23   -7   24 o    2.744000      0.6876000       2.326000 0.9470000       3.163000      0.9971000     -0.8368000       1.375000
  1 1 1     -23   -7   25 o    3.760000      0.6394000       3.088000 0.9791000       4.433000      0.8227000      -1.345000       1.279000
  1 1 1     -23   -7   26 o    2.966000      0.6922000       3.338000 0.9919000       2.593000      0.9658000      0.7448000       1.384000
  1 1 1     -23   -7   27 o    2.555000      0.6789000       2.333000 0.9458000       2.778000      0.9743000     -0.4451000       1.358000
  1 1 1     -23   -7   28 o    3.557000      0.7834000       4.459000 1.229000       2.654000      0.9720000       1.805000       1.567000
  1 1 1     -23   -7   29 o    2.797000      0.6844000       2.854000 0.9775000       2.741000      0.9582000      0.1134000       1.369000
  1 1 1     -23   -6    1 f    10.33000      0.2444000       10.08000 0.3396000       10.58000      0.3516000     -0.4991000      0.4888000
  1 1 1     -23   -6    2 o    12.27000      0.2474000       12.36000 0.3452000       12.18000      0.3546000      0.1715000      0.4948000
  1 1 1     -23   -6    3 o    3.163000      0.6040000       3.938000 0.7939000       2.387000      0.9104000       1.551000       1.208000
  1 1 1     -23   -6    4 o    2.366000      0.5541000       2.639000 0.7879000       2.093000      0.7793000      0.5462000       1.108000
  1 1 1     -23   -6    5 o    5.931000      0.3182000       5.391000 0.4720000       6.471000      0.4270000      -1.081000      0.6365000
  1 1 1     -23   -6    6 o    10.18000      0.2526000       10.33000 0.3582000       10.03000      0.3563000      0.3044000      0.5052000
  1 1 1     -23   -6    7 o    12.64000      0.2566000       12.57000 0.3632000       12.70000      0.3626000     -0.1369000      0.5132000
  1 1 1     -23   -6    8 o    11.22000      0.2571000       11.26000 0.3605000       11.17000      0.3667000      0.8665000E-01  0.5143000
  1 1 1     -23   -6    9 o    8.486000      0.2687000       7.936000 0.3884000       9.037000      0.3714000      -1.101000      0.5375000
  1 1 1     -23   -6   10 o    10.75000      0.2594000       10.61000 0.3642000       10.89000      0.3695000     -0.2823000      0.5189000
  1 1 1     -23   -6   11 o    6.500000      0.3084000       6.326000 0.4414000       6.673000      0.4308000     -0.3471000      0.6168000
  1 1 1     -23   -6   12 o    10.20000      0.2658000       10.17000 0.3725000       10.23000      0.3794000     -0.6318000E-01  0.5316000
  1 1 1     -23   -6   13 o    15.56000      0.2824000       15.61000 0.4010000       15.50000      0.3978000      0.1118000      0.5648000
  1 1 1     -23   -6   14 o    12.52000      0.2739000       12.08000 0.3889000       12.97000      0.3857000     -0.8891000      0.5477000
  1 1 1     -23   -6   15 o    17.36000      0.3014000       17.03000 0.4239000       17.68000      0.4285000     -0.6434000      0.6028000
  1 1 1     -23   -6   16 o    10.44000      0.3964000       9.873000 0.5758000       11.01000      0.5451000      -1.141000      0.7929000
  1 1 1     -23   -6   17 o    8.981000      0.4148000       9.191000 0.5901000       8.772000      0.5830000      0.4187000      0.8295000
  1 1 1     -23   -6   18 o    10.10000      0.2956000       10.02000 0.4208000       10.18000      0.4153000     -0.1533000      0.5912000
  1 1 1     -23   -6   19 o    12.77000      0.4167000       13.01000 0.5797000       12.53000      0.5988000      0.4864000      0.8334000
  1 1 1     -23   -6   20 o    13.79000      0.3034000       13.68000 0.4307000       13.90000      0.4275000     -0.2227000      0.6068000
  1 1 1     -23   -6   21 o    5.251000      0.4724000       5.728000 0.6187000       4.774000      0.7141000      0.9533000      0.9448000
  1 1 1     -23   -6   22 o    10.71000      0.3272000       10.52000 0.4641000       10.90000      0.4614000     -0.3753000      0.6545000
  1 1 1     -23   -6   23 o    2.933000      0.6782000       2.471000 0.9512000       3.395000      0.9670000     -0.9236000       1.356000
  1 1 1     -23   -6   24 o    4.749000      0.5575000       5.210000 0.7163000       4.288000      0.8544000      0.9220000       1.115000
  1 1 1     -23   -6   25 o    4.135000      0.5891000       3.796000 0.8991000       4.475000      0.7615000     -0.6795000       1.178000
  1 1 1     -23   -6   26 f    2.839000      0.6964000       2.903000 1.012000       2.774000      0.9569000      0.1292000       1.393000
  1 1 1     -23   -6   27 o    3.949000      0.6348000       3.784000 0.9398000       4.114000      0.8536000     -0.3302000       1.270000
  1 1 1     -23   -6   28 o    4.626000      0.5600000       4.182000 0.8925000       5.070000      0.6765000     -0.8888000       1.120000
  1 1 1     -23   -6   29 o    2.783000      0.6868000       2.775000 0.9823000       2.790000      0.9601000     -0.1522000E-01   1.374000
  1 1 1     -23   -5    1 o    16.17000      0.2696000       16.08000 0.3785000       16.26000      0.3841000     -0.1878000      0.5392000
  1 1 1     -23   -5    2 o    13.65000      0.2533000       13.53000 0.3527000       13.76000      0.3635000     -0.2242000      0.5065000
  1 1 1     -23   -5    3 o    12.57000      0.4935000       12.57000 0.4935000                  ?              ?              ?              ?
  1 1 1     -23   -5    4 o    11.71000      0.2481000       12.25000 0.3527000       11.16000      0.3491000       1.093000      0.4962000
  1 1 1     -23   -5    5 o    11.22000      0.3557000                  ?       ?   11.22000      0.3557000                  ?              ?
  1 1 1     -23   -5    6 o    6.758000      0.2815000       6.825000 0.4041000       6.691000      0.3920000      0.1336000      0.5630000
  1 1 1     -23   -5    7 o    7.749000      0.2679000       7.850000 0.3747000       7.649000      0.3830000      0.2007000      0.5358000
  1 1 1     -23   -5    8 o    4.026000      0.4280000       3.917000 0.6339000       4.135000      0.5752000     -0.2176000      0.8560000
  1 1 1     -23   -5    9 o    7.577000      0.2770000       7.703000 0.3846000       7.451000      0.3988000      0.2527000      0.5541000
  1 1 1     -23   -5   10 o    15.77000      0.2791000       15.37000 0.3885000       16.17000      0.4008000     -0.8046000      0.5582000
  1 1 1     -23   -5   11 o    4.354000      0.4155000       4.490000 0.5689000       4.218000      0.6058000      0.2717000      0.8311000
  1 1 1     -23   -5   12 o    6.234000      0.3267000       6.803000 0.4432000       5.665000      0.4800000       1.137000      0.6533000
  1 1 1     -23   -5   13 o    9.965000      0.2699000       10.42000 0.3819000       9.511000      0.3816000      0.9065000      0.5399000
  1 1 1     -23   -5   14 o    4.180000      0.4896000       4.635000 0.6300000       3.726000      0.7496000      0.9092000      0.9792000
  1 1 1     -23   -5   15 o    16.54000      0.2987000       16.47000 0.4240000       16.62000      0.4207000     -0.1432000      0.5973000
  1 1 1     -23   -5   16 o    8.109000      0.4276000       8.694000 0.5930000       7.524000      0.6163000       1.170000      0.8553000
  1 1 1     -23   -5   17 o    19.53000      0.3260000       18.84000 0.4531000       20.22000      0.4688000      -1.379000      0.6520000
  1 1 1     -23   -5   18 o    2.471000      0.6209000       3.010000 0.9157000       1.932000      0.8388000       1.078000       1.242000
  1 1 1     -23   -5   19 o    12.17000      0.4306000       12.37000 0.6028000       11.98000      0.6150000      0.3949000      0.8611000
  1 1 1     -23   -5   20 o    10.38000      0.3063000       9.984000 0.4321000       10.78000      0.4343000     -0.8003000      0.6126000
  1 1 1     -23   -5   21 o    7.181000      0.3810000       7.728000 0.5019000       6.635000      0.5733000       1.093000      0.7620000
  1 1 1     -23   -5   22 o    8.152000      0.3717000       7.463000 0.5564000       8.841000      0.4930000      -1.377000      0.7434000
  1 1 1     -23   -5   23 o    8.406000      0.3476000       8.353000 0.4866000       8.459000      0.4964000     -0.1055000      0.6951000
  1 1 1     -23   -5   24 o    8.654000      0.3443000       8.486000 0.4950000       8.822000      0.4788000     -0.3359000      0.6886000
  1 1 1     -23   -5   25 o    2.152000      0.6450000       2.122000 0.9141000       2.183000      0.9103000     -0.6070000E-01   1.290000
  1 1 1     -23   -5   26 o    6.275000      0.4257000       6.188000 0.6136000       6.362000      0.5903000     -0.1739000      0.8514000
  1 1 1     -23   -5   27 o    4.672000      0.5758000       4.474000 0.8540000       4.869000      0.7725000     -0.3947000       1.152000
  1 1 1     -23   -5   28 o    2.215000      0.6372000       2.070000 0.8851000       2.361000      0.9169000     -0.2907000       1.274000
  1 1 1     -23   -5   29 o    2.520000      0.6573000       2.786000 0.9543000       2.254000      0.9041000      0.5319000       1.315000
  1 1 1     -23   -4    1 o    2.371000      0.5261000       2.321000 0.7376000       2.422000      0.7502000     -0.1008000       1.052000
  1 1 1     -23   -4    2 o    10.52000      0.3464000       10.43000 0.4791000       10.61000      0.5005000     -0.1796000      0.6929000
  1 1 1     -23   -4    3 o    13.93000      0.5158000       13.93000 0.5158000                  ?              ?              ?              ?
  1 1 1     -23   -4    4 o    10.05000      0.2434000       10.00000 0.3419000       10.10000      0.3466000     -0.9613000E-01  0.4869000
  1 1 1     -23   -4    5 f    3.465000      0.6897000                  ?       ?   3.465000      0.6897000                  ?              ?
  1 1 1     -23   -4    6 o    10.88000      0.2485000       11.08000 0.3531000       10.68000      0.3496000      0.4019000      0.4969000
  1 1 1     -23   -4    7 o    6.805000      0.2851000       7.050000 0.3962000       6.560000      0.4100000      0.4897000      0.5701000
  1 1 1     -23   -4    8 o    10.25000      0.2510000       10.60000 0.3560000       9.896000      0.3539000      0.7045000      0.5020000
  1 1 1     -23   -4    9 o    5.014000      0.3539000       5.163000 0.4875000       4.864000      0.5132000      0.2987000      0.7079000
  1 1 1     -23   -4   10 o    7.978000      0.2788000       8.231000 0.3835000       7.725000      0.4049000      0.5057000      0.5577000
  1 1 1     -23   -4   11 o    15.22000      0.2763000       15.42000 0.3918000       15.02000      0.3897000      0.4039000      0.5526000
  1 1 1     -23   -4   12 o    14.87000      0.2757000       15.01000 0.3931000       14.74000      0.3867000      0.2784000      0.5514000
  1 1 1     -23   -4   13 o    10.74000      0.2687000       11.26000 0.3757000       10.21000      0.3842000       1.056000      0.5374000
  1 1 1     -23   -4   14 o    11.23000      0.2702000       11.77000 0.3800000       10.68000      0.3843000       1.084000      0.5405000
  1 1 1     -23   -4   15 o    15.21000      0.2863000       15.07000 0.4050000       15.35000      0.4046000     -0.2738000      0.5725000
  1 1 1     -23   -4   16 o    12.88000      0.3837000       12.59000 0.5522000       13.16000      0.5328000     -0.5755000      0.7673000
  1 1 1     -23   -4   17 o    13.65000      0.2844000       13.34000 0.4037000       13.95000      0.4007000     -0.6097000      0.5688000
  1 1 1     -23   -4   18 o    14.63000      0.4285000       14.27000 0.6007000       14.99000      0.6113000     -0.7172000      0.8571000
  1 1 1     -23   -4   19 o    17.43000      0.4507000       16.48000 0.6223000       18.38000      0.6522000      -1.892000      0.9015000
  1 1 1     -23   -4   20 o    8.688000      0.3254000       8.994000 0.4511000       8.382000      0.4692000      0.6122000      0.6509000
  1 1 1     -23   -4   21 o    3.690000      0.6099000       3.604000 0.8771000       3.776000      0.8477000     -0.1715000       1.220000
  1 1 1     -23   -4   22 o    2.567000      0.6351000       3.255000 0.9602000       1.879000      0.8316000       1.376000       1.270000
  1 1 1     -23   -4   23 o    9.844000      0.3185000       9.781000 0.4523000       9.907000      0.4486000     -0.1252000      0.6371000
  1 1 1     -23   -4   24 o    10.31000      0.3177000       10.53000 0.4509000       10.10000      0.4478000      0.4258000      0.6355000
  1 1 1     -23   -4   25 o    3.951000      0.6126000       4.443000 0.8083000       3.459000      0.9208000      0.9844000       1.225000
  1 1 1     -23   -4   26 o    5.087000      0.5161000       4.682000 0.7877000       5.492000      0.6671000     -0.8099000       1.032000
  1 1 1     -23   -4   27 o    3.129000      0.6623000       3.130000 0.9444000       3.127000      0.9288000      0.2842000E-02   1.325000
  1 1 1     -23   -4   28 o    2.049000      0.6142000       2.404000 0.9427000       1.694000      0.7877000      0.7105000       1.228000
  1 1 1     -23   -4   29 o    2.120000      0.6235000       1.909000 0.8502000       2.332000      0.9121000     -0.4230000       1.247000
  1 1 1     -23   -3    1 o    7.605000      0.2441000       7.887000 0.3398000       7.324000      0.3504000      0.5630000      0.4881000
  1 1 1     -23   -3    2 o    23.15000      0.4864000       22.91000 0.6778000       23.38000      0.6977000     -0.4681000      0.9728000
  1 1 1     -23   -3    3 o    16.72000      0.2791000       17.00000 0.3928000       16.45000      0.3968000      0.5450000      0.5583000
  1 1 1     -23   -3    4 o    4.839000      0.3478000       5.087000 0.4541000       4.591000      0.5270000      0.4955000      0.6957000
  1 1 1     -23   -3    5 o    12.15000      0.2504000       12.13000 0.3494000       12.17000      0.3588000     -0.4585000E-01  0.5008000
  1 1 1     -23   -3    6 o    10.76000      0.2494000       10.89000 0.3483000       10.64000      0.3570000      0.2437000      0.4987000
  1 1 1     -23   -3    7 o    5.707000      0.3155000       5.590000 0.4580000       5.824000      0.4341000     -0.2340000      0.6311000
  1 1 1     -23   -3    8 o    11.44000      0.2499000       11.34000 0.3556000       11.54000      0.3512000     -0.2032000      0.4998000
  1 1 1     -23   -3    9 o    6.559000      0.3021000       6.510000 0.4272000       6.608000      0.4273000     -0.9754000E-01  0.6042000
  1 1 1     -23   -3   10 o    2.213000      0.5665000       1.968000 0.7809000       2.458000      0.8209000     -0.4897000       1.133000
  1 1 1     -23   -3   11 o    8.713000      0.2702000       8.834000 0.3792000       8.591000      0.3850000      0.2426000      0.5404000
  1 1 1     -23   -3   12 o    14.02000      0.2710000       14.23000 0.3874000       13.82000      0.3791000      0.4082000      0.5420000
  1 1 1     -23   -3   13 o    3.848000      0.5146000       4.211000 0.6680000       3.485000      0.7829000      0.7266000       1.029000
  1 1 1     -23   -3   14 o    2.687000      0.6071000       2.791000 0.8405000       2.583000      0.8764000      0.2082000       1.214000
  1 1 1     -23   -3   15 o    9.629000      0.3999000       9.150000 0.5801000       10.11000      0.5506000     -0.9597000      0.7998000
  1 1 1     -23   -3   16 o    15.93000      0.2968000       16.21000 0.4224000       15.65000      0.4171000      0.5598000      0.5936000
  1 1 1     -23   -3   17 o    7.264000      0.3371000       7.024000 0.4924000       7.505000      0.4607000     -0.4807000      0.6743000
  1 1 1     -23   -3   18 o    9.545000      0.4612000       10.22000 0.6279000       8.873000      0.6757000       1.345000      0.9224000
  1 1 1     -23   -3   19 o    11.34000      0.2927000       11.23000 0.4169000       11.44000      0.4110000     -0.2161000      0.5854000
  1 1 1     -23   -3   20 o    7.415000      0.3426000       7.261000 0.4969000       7.569000      0.4719000     -0.3085000      0.6853000
  1 1 1     -23   -3   21 o    7.459000      0.3568000       7.804000 0.4950000       7.114000      0.5140000      0.6906000      0.7136000
  1 1 1     -23   -3   22 o    4.703000      0.5348000       4.271000 0.8223000       5.136000      0.6842000     -0.8647000       1.070000
  1 1 1     -23   -3   23 f    6.356000      0.4318000       6.144000 0.6307000       6.569000      0.5901000     -0.4259000      0.8637000
  1 1 1     -23   -3   24 o    7.291000      0.3840000       7.791000 0.5189000       6.791000      0.5661000       1.000000      0.7679000
  1 1 1     -23   -3   25 o    2.043000      0.6154000       2.040000 0.8798000       2.046000      0.8608000     -0.6520000E-02   1.231000
  1 1 1     -23   -3   26 o    2.992000      0.6511000       2.565000 0.9340000       3.418000      0.9073000     -0.8531000       1.302000
  1 1 1     -23   -3   27 o    2.705000      0.6940000       2.734000 0.9850000       2.676000      0.9778000      0.5789000E-01   1.388000
  1 1 1     -23   -3   28 o    3.150000      0.6571000       2.807000 0.9595000       3.493000      0.8982000     -0.6861000       1.314000
  1 1 1     -23   -2    1 o    12.44000      0.3463000       11.78000 0.4738000       13.10000      0.5051000      -1.321000      0.6925000
  1 1 1     -23   -2    2 o    17.23000      0.3992000       17.06000 0.5529000       17.39000      0.5760000     -0.3359000      0.7984000
  1 1 1     -23   -2    3 o    13.52000      0.2506000       13.66000 0.3539000       13.37000      0.3551000      0.2948000      0.5013000
  1 1 1     -23   -2    4 o    12.36000      0.2458000       12.37000 0.3458000       12.35000      0.3495000      0.2553000E-01  0.4917000
  1 1 1     -23   -2    5 o    7.704000      0.2583000       7.824000 0.3574000       7.584000      0.3732000      0.2399000      0.5167000
  1 1 1     -23   -2    6 o    13.86000      0.2577000       13.76000 0.3620000       13.95000      0.3669000     -0.1845000      0.5154000
  1 1 1     -23   -2    7 o    15.93000      0.2737000       15.94000 0.3870000       15.91000      0.3873000      0.2712000E-01  0.5475000
  1 1 1     -23   -2    8 o    15.87000      0.2738000       15.94000 0.3895000       15.80000      0.3850000      0.1390000      0.5476000
  1 1 1     -23   -2    9 o    10.27000      0.2587000       10.27000 0.3616000       10.27000      0.3700000     -0.5369000E-02  0.5174000
  1 1 1     -23   -2   10 o    4.474000      0.3968000       4.467000 0.5652000       4.482000      0.5571000     -0.1512000E-01  0.7936000
  1 1 1     -23   -2   11 o    7.290000      0.2958000       7.386000 0.4166000       7.195000      0.4200000      0.1917000      0.5916000
  1 1 1     -23   -2   12 o    6.353000      0.3091000       6.611000 0.4265000       6.095000      0.4476000      0.5154000      0.6183000
  1 1 1     -23   -2   13 o    15.38000      0.2814000       15.03000 0.3960000       15.74000      0.4000000     -0.7145000      0.5628000
  1 1 1     -23   -2   14 o    12.65000      0.2753000       12.52000 0.3874000       12.78000      0.3913000     -0.2557000      0.5506000
  1 1 1     -23   -2   15 o    1.840000      0.5931000       2.038000 0.8973000       1.642000      0.7757000      0.3955000       1.186000
  1 1 1     -23   -2   16 o    16.86000      0.3007000       16.44000 0.4236000       17.27000      0.4268000     -0.8291000      0.6014000
  1 1 1     -23   -2   17 o    2.982000      0.6802000       3.696000 0.9618000       2.267000      0.9621000       1.429000       1.360000
  1 1 1     -23   -2   18 f    2.458000      0.7316000       2.418000 1.014000       2.497000       1.055000     -0.7898000E-01   1.463000
  1 1 1     -23   -2   19 o    13.31000      0.2927000       13.61000 0.4133000       13.01000      0.4146000      0.5985000      0.5854000
  1 1 1     -23   -2   20 o    10.98000      0.3036000       11.10000 0.4381000       10.86000      0.4204000      0.2410000      0.6072000
  1 1 1     -23   -2   21 o    3.549000      0.5994000       3.445000 0.8824000       3.653000      0.8115000     -0.2076000       1.199000
  1 1 1     -23   -2   22 o    4.586000      0.5123000       5.278000 0.6570000       3.894000      0.7862000       1.383000       1.025000
  1 1 1     -23   -2   23 o    4.020000      0.6086000       4.818000 0.7362000       3.223000      0.9694000       1.595000       1.217000
  1 1 1     -23   -2   24 o    7.086000      0.3964000       7.273000 0.5503000       6.899000      0.5706000      0.3736000      0.7928000
  1 1 1     -23   -2   25 o    2.696000      0.6416000       3.404000 0.9592000       1.987000      0.8522000       1.417000       1.283000
  1 1 1     -23   -2   26 o    3.638000      0.6309000       4.516000 0.8199000       2.761000      0.9591000       1.755000       1.262000
  1 1 1     -23   -2   27 o    5.376000      0.4500000       5.223000 0.6815000       5.530000      0.5878000     -0.3065000      0.9000000
  1 1 1     -23   -2   28 o    3.046000      0.6179000       4.059000 0.8811000       2.033000      0.8666000       2.026000       1.236000
  1 1 1     -23   -1    1 o    18.31000      0.4103000       18.37000 0.5771000       18.24000      0.5834000      0.1286000      0.8206000
  1 1 1     -23   -1    2 o    4.819000      0.3214000       5.258000 0.4185000       4.380000      0.4879000      0.8784000      0.6428000
  1 1 1     -23   -1    3 o    5.514000      0.3038000       5.922000 0.3963000       5.106000      0.4605000      0.8159000      0.6076000
  1 1 1     -23   -1    4 o    15.21000      0.3741000       15.21000 0.3741000                  ?              ?              ?              ?
  1 1 1     -23   -1    5 o    6.011000      0.2899000       5.986000 0.4008000       6.036000      0.4188000     -0.5031000E-01  0.5797000
  1 1 1     -23   -1    6 o    3.433000      0.5037000       3.198000 0.8131000       3.668000      0.5949000     -0.4706000       1.007000
  1 1 1     -23   -1    7 o    14.09000      0.2612000       14.63000 0.3763000       13.55000      0.3623000       1.089000      0.5223000
  1 1 1     -23   -1    8 o    10.83000      0.2533000       11.00000 0.3537000       10.66000      0.3626000      0.3414000      0.5066000
  1 1 1     -23   -1    9 o    7.900000      0.2704000       7.983000 0.3849000       7.817000      0.3800000      0.1657000      0.5409000
  1 1 1     -23   -1   10 o    6.114000      0.3169000       5.985000 0.4445000       6.242000      0.4519000     -0.2572000      0.6339000
  1 1 1     -23   -1   11 o    2.862000      0.5263000       3.317000 0.7144000       2.407000      0.7732000      0.9091000       1.053000
  1 1 1     -23   -1   12 o    7.420000      0.2978000       7.858000 0.4071000       6.982000      0.4348000      0.8757000      0.5956000
  1 1 1     -23   -1   13 o    20.04000      0.3229000       19.80000 0.4539000       20.28000      0.4594000     -0.4819000      0.6458000
  1 1 1     -23   -1   14 o    6.512000      0.4655000       6.771000 0.6593000       6.253000      0.6574000      0.5181000      0.9310000
  1 1 1     -23   -1   15 o    8.642000      0.2905000       8.723000 0.4179000       8.560000      0.4037000      0.1630000      0.5810000
  1 1 1     -23   -1   16 f    4.649000      0.4321000       5.280000 0.5514000       4.018000      0.6654000       1.262000      0.8642000
  1 1 1     -23   -1   17 o    6.110000      0.5550000       5.818000 0.8249000       6.401000      0.7428000     -0.5831000       1.110000
  1 1 1     -23   -1   18 o    4.130000      0.5149000       3.988000 0.7525000       4.272000      0.7030000     -0.2838000       1.030000
  1 1 1     -23   -1   19 o    10.44000      0.2913000       10.42000 0.4128000       10.47000      0.4112000     -0.5234000E-01  0.5827000
  1 1 1     -23   -1   20 o    5.396000      0.4291000       4.879000 0.6485000       5.914000      0.5622000      -1.036000      0.8583000
  1 1 1     -23   -1   21 o    4.353000      0.5301000       5.278000 0.6198000       3.428000      0.8602000       1.850000       1.060000
  1 1 1     -23   -1   22 o    7.843000      0.3315000       8.599000 0.4523000       7.087000      0.4847000       1.512000      0.6630000
  1 1 1     -23   -1   23 o    2.241000      0.6267000       2.542000 0.9396000       1.939000      0.8294000      0.6029000       1.253000
  1 1 1     -23   -1   24 o    3.001000      0.6187000       2.411000 0.9097000       3.592000      0.8388000      -1.181000       1.237000
  1 1 1     -23   -1   25 o    6.084000      0.4390000       6.042000 0.6290000       6.125000      0.6125000     -0.8223000E-01  0.8780000
  1 1 1     -23   -1   26 o    3.081000      0.6928000       3.086000 0.9849000       3.077000      0.9746000      0.9010000E-02   1.386000
  1 1 1     -23   -1   27 o    2.456000      0.6521000       2.140000 0.9079000       2.771000      0.9362000     -0.6301000       1.304000
  1 1 1     -23   -1   28 o    3.004000      0.6625000       2.551000 0.9510000       3.457000      0.9225000     -0.9055000       1.325000
  1 1 1     -23    0    1 o    16.15000      0.2659000       16.21000 0.3757000       16.08000      0.3765000      0.1358000      0.5319000
  1 1 1     -23    0    2 o    11.92000      0.2386000       11.71000 0.3335000       12.12000      0.3414000     -0.4102000      0.4772000
  1 1 1     -23    0    3 o    8.255000      0.2415000       8.247000 0.3385000       8.264000      0.3444000     -0.1692000E-01  0.4829000
  1 1 1     -23    0    4 o    8.916000      0.3363000       8.916000 0.3363000                  ?              ?              ?              ?
  1 1 1     -23    0    5 o    12.43000      0.2460000       12.63000 0.3493000       12.23000      0.3465000      0.3972000      0.4920000
  1 1 1     -23    0    6 o    7.606000      0.3664000                  ?       ?   7.606000      0.3664000                  ?              ?
  1 1 1     -23    0    7 o    7.146000      0.2658000       6.907000 0.3829000       7.386000      0.3688000     -0.4788000      0.5316000
  1 1 1     -23    0    8 o    6.429000      0.2861000       6.673000 0.4102000       6.186000      0.3990000      0.4864000      0.5723000
  1 1 1     -23    0    9 f    7.494000      0.2629000       7.655000 0.3704000       7.334000      0.3733000      0.3204000      0.5259000
  1 1 1     -23    0   10 f    5.442000      0.3273000       5.781000 0.4464000       5.104000      0.4787000      0.6766000      0.6545000
  1 1 1     -23    0   11 o    5.803000      0.3146000       6.160000 0.4321000       5.447000      0.4573000      0.7132000      0.6291000
  1 1 1     -23    0   12 o    13.70000      0.2717000       13.50000 0.3848000       13.90000      0.3836000     -0.3985000      0.5434000
  1 1 1     -23    0   13 o    10.35000      0.3575000       10.09000 0.5203000       10.62000      0.4906000     -0.5327000      0.7151000
  1 1 1     -23    0   14 o    3.291000      0.6896000       3.499000 0.9928000       3.083000      0.9573000      0.4168000       1.379000
  1 1 1     -23    0   15 o    7.479000      0.3238000       7.282000 0.4710000       7.676000      0.4445000     -0.3939000      0.6476000
  1 1 1     -23    0   16 o    4.254000      0.6914000       4.138000 0.9784000       4.369000      0.9772000     -0.2307000       1.383000
  1 1 1     -23    0   17 o    6.754000      0.5522000       6.664000 0.7793000       6.844000      0.7826000     -0.1803000       1.104000
  1 1 1     -23    0   18 o    5.429000      0.3865000       5.748000 0.5185000       5.110000      0.5734000      0.6384000      0.7730000
  1 1 1     -23    0   19 o    4.579000      0.5187000       4.077000 0.8112000       5.080000      0.6466000      -1.003000       1.037000
  1 1 1     -23    0   20 o    4.040000      0.5822000       4.323000 0.7840000       3.757000      0.8610000      0.5664000       1.164000
  1 1 1     -23    0   21 o    6.215000      0.3829000       6.136000 0.5516000       6.294000      0.5312000     -0.1578000      0.7658000
  1 1 1     -23    0   22 o    2.896000      0.6628000       3.364000 0.9469000       2.427000      0.9278000      0.9368000       1.326000
  1 1 1     -23    0   23 o    3.941000      0.5929000       3.666000 0.9000000       4.215000      0.7720000     -0.5490000       1.186000
  1 1 1     -23    0   24 o    5.806000      0.4478000       5.395000 0.6813000       6.218000      0.5812000     -0.8233000      0.8955000
  1 1 1     -23    0   25 o    8.290000      0.3437000       8.278000 0.4951000       8.302000      0.4769000     -0.2336000E-01  0.6874000
  1 1 1     -23    0   26 o    5.437000      0.4192000       5.421000 0.5915000       5.453000      0.5941000     -0.3238000E-01  0.8384000
  1 1 1     -23    0   27 o    3.758000      0.5671000       2.437000 0.9278000       5.079000      0.6524000      -2.642000       1.134000
  1 1 1     -23    1    1 o    16.30000      0.2730000       16.07000 0.3734000       16.52000      0.3982000     -0.4495000      0.5459000
  1 1 1     -23    1    2 o    5.251000      0.3211000       4.809000 0.4473000       5.694000      0.4608000     -0.8856000      0.6422000
  1 1 1     -23    1    3 o    10.90000      0.3035000       11.01000 0.3323000       10.79000      0.5079000      0.2240000      0.6070000
  1 1 1     -23    1    4 o    9.852000      0.2396000       9.744000 0.3446000       9.959000      0.3331000     -0.2151000      0.4793000
  1 1 1     -23    1    5 o    15.51000      0.2666000       15.54000 0.3777000       15.47000      0.3764000      0.6702000E-01  0.5332000
  1 1 1     -23    1    6 o    7.147000      0.2622000       7.243000 0.3591000       7.051000      0.3822000      0.1924000      0.5244000
  1 1 1     -23    1    7 o    2.927000      0.5149000       3.134000 0.7055000       2.721000      0.7500000      0.4129000       1.030000
  1 1 1     -23    1    8 o    2.504000      0.5238000       2.251000 0.7726000       2.758000      0.7074000     -0.5072000       1.048000
  1 1 1     -23    1    9 o    4.042000      0.4059000       4.046000 0.5819000       4.038000      0.5661000      0.7406000E-02  0.8118000
  1 1 1     -23    1   10 o    3.127000      0.5314000       3.166000 0.7451000       3.087000      0.7578000      0.7905000E-01   1.063000
  1 1 1     -23    1   11 o    5.593000      0.3285000       5.228000 0.4897000       5.958000      0.4379000     -0.7296000      0.6569000
  1 1 1     -23    1   12 o    4.761000      0.4074000       4.802000 0.5649000       4.720000      0.5870000      0.8196000E-01  0.8147000
  1 1 1     -23    1   13 o    4.999000      0.5296000       4.731000 0.8315000       5.267000      0.6560000     -0.5363000       1.059000
  1 1 1     -23    1   14 o    2.447000      0.5606000       2.698000 0.8103000       2.196000      0.7748000      0.5019000       1.121000
  1 1 1     -23    1   15 o    6.730000      0.3053000       7.144000 0.4356000       6.317000      0.4278000      0.8266000      0.6105000
  1 1 1     -23    1   16 o    2.524000      0.6695000       3.248000 1.035000       1.800000      0.8497000       1.447000       1.339000
  1 1 1     -23    1   17 o    4.245000      0.4643000       4.508000 0.6379000       3.983000      0.6747000      0.5250000      0.9285000
  1 1 1     -23    1   18 o    3.731000      0.5491000       4.383000 0.6955000       3.080000      0.8499000       1.303000       1.098000
  1 1 1     -23    1   19 o    2.434000      0.6287000       2.165000 0.8766000       2.703000      0.9015000     -0.5383000       1.257000
  1 1 1     -23    1   20 o    6.069000      0.3850000       5.736000 0.5726000       6.403000      0.5148000     -0.6668000      0.7700000
  1 1 1     -23    1   21 o    1.963000      0.5898000       2.406000 0.9323000       1.519000      0.7228000      0.8865000       1.180000
  1 1 1     -23    1   22 o    5.650000      0.4481000       5.893000 0.6473000       5.407000      0.6199000      0.4859000      0.8962000
  1 1 1     -23    1   23 o    6.765000      0.3767000       7.362000 0.5191000       6.169000      0.5459000       1.194000      0.7533000
  1 1 1     -23    1   24 o    6.177000      0.4119000       5.886000 0.6242000       6.467000      0.5375000     -0.5814000      0.8238000
  1 1 1     -23    1   25 o    6.026000      0.4193000       6.200000 0.5931000       5.851000      0.5929000      0.3493000      0.8387000
  1 1 1     -23    1   26 o    3.865000      0.5962000       4.288000 0.7845000       3.441000      0.8979000      0.8468000       1.192000
  1 1 1     -23    1   27 o    3.456000      0.6609000       3.551000 0.9369000       3.361000      0.9324000      0.1905000       1.322000
  1 1 1     -23    2    1 o    10.22000      0.2450000       10.37000 0.3230000       10.07000      0.3685000      0.3016000      0.4900000
  1 1 1     -23    2    2 o    11.33000      0.2487000       11.28000 0.3307000       11.37000      0.3715000     -0.8737000E-01  0.4974000
  1 1 1     -23    2    3 o    9.456000      0.2549000       9.215000 0.3371000       9.696000      0.3825000     -0.4807000      0.5098000
  1 1 1     -23    2    4 f    7.439000      0.2775000       7.371000 0.3614000       7.507000      0.4213000     -0.1356000      0.5551000
  1 1 1     -23    2    5 o    2.513000      0.5397000       1.888000 0.7176000       3.139000      0.8062000      -1.251000       1.079000
  1 1 1     -23    2    6 o    5.989000      0.3291000       5.880000 0.4364000       6.098000      0.4926000     -0.2173000      0.6581000
  1 1 1     -23    2    7 o    6.181000      0.3160000       6.690000 0.4026000       5.671000      0.4873000       1.019000      0.6321000
  1 1 1     -23    2    8 o    3.168000      0.5296000       3.307000 0.6626000       3.030000      0.8263000      0.2769000       1.059000
  1 1 1     -23    2    9 o    5.695000      0.4249000       5.581000 0.4496000       5.810000      0.7210000     -0.2281000      0.8497000
  1 1 1     -23    2   10 o    8.498000      0.2693000       9.159000 0.3792000       7.837000      0.3826000       1.322000      0.5387000
  1 1 1     -23    2   11 o    3.112000      0.5158000       2.386000 0.8101000       3.839000      0.6387000      -1.453000       1.032000
  1 1 1     -23    2   12 o    13.47000      0.3657000       13.09000 0.5189000       13.84000      0.5154000     -0.7464000      0.7313000
  1 1 1     -23    2   13 o    8.498000      0.2831000       8.329000 0.4077000       8.667000      0.3928000     -0.3375000      0.5662000
  1 1 1     -23    2   14 o    9.283000      0.2771000       9.235000 0.3981000       9.331000      0.3855000     -0.9581000E-01  0.5542000
  1 1 1     -23    2   15 o    4.201000      0.6578000       3.798000 0.9760000       4.605000      0.8821000     -0.8072000       1.316000
  1 1 1     -23    2   16 o    3.531000      0.5757000       2.999000 0.9007000       4.062000      0.7173000      -1.064000       1.151000
  1 1 1     -23    2   17 o    7.549000      0.3198000       7.695000 0.4559000       7.402000      0.4484000      0.2926000      0.6395000
  1 1 1     -23    2   18 o    3.043000      0.6161000       2.485000 0.9106000       3.600000      0.8300000      -1.115000       1.232000
  1 1 1     -23    2   19 o    1.879000      0.5963000       1.855000 0.8703000       1.904000      0.8155000     -0.4860000E-01   1.193000
  1 1 1     -23    2   20 o    8.379000      0.3268000       8.139000 0.4797000       8.619000      0.4438000     -0.4798000      0.6536000
  1 1 1     -23    2   21 o    6.952000      0.3520000       6.782000 0.5166000       7.121000      0.4783000     -0.3386000      0.7040000
  1 1 1     -23    2   22 o    8.860000      0.3043000       9.052000 0.4344000       8.667000      0.4262000      0.3852000      0.6086000
  1 1 1     -23    2   23 o    8.688000      0.3104000       8.631000 0.4382000       8.744000      0.4396000     -0.1130000      0.6207000
  1 1 1     -23    2   24 o    7.086000      0.3498000       7.074000 0.4970000       7.098000      0.4923000     -0.2349000E-01  0.6996000
  1 1 1     -23    2   25 o    2.925000      0.6407000       2.976000 0.9105000       2.874000      0.9018000      0.1021000       1.281000
  1 1 1     -23    2   26 o    2.692000      0.6372000       3.073000 0.9399000       2.311000      0.8608000      0.7613000       1.274000
  1 1 1     -23    3    1 o    6.533000      0.2920000       7.050000 0.3521000       6.016000      0.4659000       1.034000      0.5840000
  1 1 1     -23    3    2 o    14.46000      0.2649000       14.73000 0.3638000       14.19000      0.3850000      0.5402000      0.5297000
  1 1 1     -23    3    3 o    11.32000      0.2555000       10.96000 0.3365000       11.68000      0.3847000     -0.7243000      0.5111000
  1 1 1     -23    3    4 o    10.42000      0.2556000       10.43000 0.3333000       10.41000      0.3876000      0.2136000E-01  0.5112000
  1 1 1     -23    3    5 o    4.420000      0.3868000       4.888000 0.4367000       3.952000      0.6386000      0.9364000      0.7737000
  1 1 1     -23    3    6 o    3.567000      0.4961000       3.049000 0.7200000       4.084000      0.6826000      -1.035000      0.9922000
  1 1 1     -23    3    7 o    12.18000      0.3168000       12.23000 0.4999000       12.14000      0.3895000      0.8970000E-01  0.6337000
  1 1 1     -23    3    8 o    10.33000      0.2688000       9.698000 0.3664000       10.97000      0.3934000      -1.268000      0.5376000
  1 1 1     -23    3    9 o    6.396000      0.3302000       5.950000 0.4463000       6.842000      0.4866000     -0.8919000      0.6603000
  1 1 1     -23    3   10 o    12.73000      0.2771000       12.97000 0.3747000       12.49000      0.4084000      0.4787000      0.5543000
  1 1 1     -23    3   11 o    2.361000      0.6833000       2.185000 0.8642000       2.537000       1.059000     -0.3525000       1.367000
  1 1 1     -23    3   12 o    8.146000      0.3256000       8.866000 0.4019000       7.427000      0.5124000       1.440000      0.6512000
  1 1 1     -23    3   13 o    12.61000      0.2856000       13.16000 0.3837000       12.07000      0.4231000       1.087000      0.5712000
  1 1 1     -23    3   14 o    7.733000      0.4749000       7.882000 0.6549000       7.584000      0.6879000      0.2977000      0.9498000
  1 1 1     -23    3   15 o    6.232000      0.3879000       6.097000 0.5116000       6.368000      0.5832000     -0.2710000      0.7758000
  1 1 1     -23    3   16 o    8.605000      0.3887000       8.652000 0.4359000       8.559000      0.6438000      0.9269000E-01  0.7775000
  1 1 1     -23    3   17 o    6.013000      0.4915000       6.491000 0.4771000       5.535000      0.8594000      0.9567000      0.9830000
  1 1 1     -23    3   18 o    2.835000      0.6255000       3.094000 0.8976000       2.576000      0.8714000      0.5177000       1.251000
  1 1 1     -23    3   19 o    3.089000      0.6032000       2.384000 0.9209000       3.795000      0.7794000      -1.412000       1.206000
  1 1 1     -23    3   20 o    5.367000      0.4108000       5.614000 0.5592000       5.121000      0.6019000      0.4928000      0.8216000
  1 1 1     -23    3   21 o    4.011000      0.5585000       3.856000 0.8130000       4.166000      0.7659000     -0.3102000       1.117000
  1 1 1     -23    3   22 o    3.659000      0.5684000       3.405000 0.8580000       3.913000      0.7458000     -0.5089000       1.137000
  1 1 1     -23    3   23 o    7.396000      0.3664000       7.157000 0.5289000       7.636000      0.5073000     -0.4790000      0.7329000
  1 1 1     -23    3   24 o    2.920000      0.6291000       3.486000 0.8886000       2.353000      0.8909000       1.133000       1.258000
  1 1 1     -23    3   25 o    5.986000      0.4067000       5.578000 0.5954000       6.395000      0.5543000     -0.8168000      0.8134000
  1 1 1     -23    3   26 o    3.855000      0.5640000       4.582000 0.6990000       3.129000      0.8854000       1.452000       1.128000
  1 1 1     -23    4    1 o    3.959000      0.4518000       4.586000 0.4678000       3.333000      0.7731000       1.253000      0.9036000
  1 1 1     -23    4    2 o    9.389000      0.2508000       9.206000 0.3316000       9.573000      0.3764000     -0.3678000      0.5016000
  1 1 1     -23    4    3 f    6.257000      0.3142000       6.980000 0.3544000       5.535000      0.5190000       1.445000      0.6285000
  1 1 1     -23    4    4 o    3.026000      0.5204000       3.661000 0.5818000       2.391000      0.8632000       1.269000       1.041000
  1 1 1     -23    4    5 o    5.983000      0.4040000       5.983000 0.4040000                  ?              ?              ?              ?
  1 1 1     -23    4    6 o    7.075000      0.3119000       7.369000 0.3937000       6.781000      0.4838000      0.5881000      0.6238000
  1 1 1     -23    4    7 o    7.584000      0.4595000                  ?       ?   7.584000      0.4595000                  ?              ?
  1 1 1     -23    4    8 o    8.494000      0.2887000       8.398000 0.3827000       8.589000      0.4323000     -0.1914000      0.5774000
  1 1 1     -23    4    9 o    2.931000      0.5496000       3.582000 0.6805000       2.279000      0.8633000       1.303000       1.099000
  1 1 1     -23    4   10 o    3.623000      0.6496000       4.674000 0.7401000       2.573000       1.068000       2.100000       1.299000
  1 1 1     -23    4   11 o    9.709000      0.2913000       9.622000 0.3692000       9.796000      0.4506000     -0.1740000      0.5825000
  1 1 1     -23    4   12 o    2.517000      0.5731000       3.322000 0.8307000       1.713000      0.7898000       1.609000       1.146000
  1 1 1     -23    4   13 o    4.550000      0.6837000       3.785000 1.089000       5.316000      0.8269000      -1.531000       1.367000
  1 1 1     -23    4   14 o    3.588000      0.5681000       4.107000 0.6624000       3.069000      0.9232000       1.038000       1.136000
  1 1 1     -23    4   15 o    3.616000      0.5943000       3.406000 0.8018000       3.825000      0.8773000     -0.4192000       1.189000
  1 1 1     -23    4   16 o    4.335000      0.5405000       4.672000 0.6038000       3.998000      0.8968000      0.6742000       1.081000
  1 1 1     -23    4   17 o    10.52000      0.3207000       10.38000 0.4184000       10.66000      0.4863000     -0.2778000      0.6415000
  1 1 1     -23    4   18 o    3.029000      0.6876000       2.954000 0.9270000       3.104000       1.016000     -0.1499000       1.375000
  1 1 1     -23    4   19 o    3.879000      0.5981000       3.699000 0.7716000       4.059000      0.9140000     -0.3598000       1.196000
  1 1 1     -23    4   20 o    4.481000      0.5450000       4.516000 0.6870000       4.447000      0.8464000      0.6877000E-01   1.090000
  1 1 1     -23    4   21 o    5.136000      0.4725000       5.053000 0.6407000       5.219000      0.6945000     -0.1660000      0.9449000
  1 1 1     -23    4   22 o    2.368000      0.6017000       2.860000 0.8606000       1.875000      0.8412000      0.9847000       1.203000
  1 1 1     -23    4   23 o    2.652000      0.6573000       2.416000 0.9057000       2.889000      0.9529000     -0.4728000       1.315000
  1 1 1     -23    4   24 o    3.169000      0.6501000       2.643000 0.9310000       3.695000      0.9075000      -1.052000       1.300000
  1 1 1     -23    4   25 o    2.578000      0.6566000       2.669000 0.9265000       2.486000      0.9307000      0.1827000       1.313000
  1 1 1     -23    5    1 o    6.622000      0.2953000       6.428000 0.3832000       6.815000      0.4495000     -0.3868000      0.5907000
  1 1 1     -23    5    2 o    10.23000      0.2550000       10.09000 0.3417000       10.36000      0.3787000     -0.2731000      0.5101000
  1 1 1     -23    5    3 o    5.310000      0.3424000       4.937000 0.4513000       5.684000      0.5150000     -0.7467000      0.6848000
  1 1 1     -23    5    4 o    6.860000      0.2969000       6.793000 0.3712000       6.927000      0.4634000     -0.1341000      0.5937000
  1 1 1     -23    5    5 o    6.553000      0.3631000       6.560000 0.3730000       6.545000      0.6231000      0.1499000E-01  0.7262000
  1 1 1     -23    5    6 o    4.637000      0.4018000       4.286000 0.5438000       4.988000      0.5916000     -0.7020000      0.8035000
  1 1 1     -23    5    7 o    2.923000      0.5556000       2.344000 0.7259000       3.502000      0.8413000      -1.157000       1.111000
  1 1 1     -23    5    8 o    5.426000      0.3992000       5.857000 0.4632000       4.994000      0.6502000      0.8633000      0.7983000
  1 1 1     -23    5    9 o    8.340000      0.4308000       7.742000 0.5662000       8.937000      0.6495000      -1.195000      0.8616000
  1 1 1     -23    5   10 o    4.324000      0.4702000       3.956000 0.6092000       4.692000      0.7162000     -0.7360000      0.9403000
  1 1 1     -23    5   11 o    5.063000      0.4260000       4.816000 0.5515000       5.311000      0.6494000     -0.4950000      0.8520000
  1 1 1     -23    5   12 o    3.841000      0.6651000       4.979000 0.8437000       2.703000       1.028000       2.276000       1.330000
  1 1 1     -23    5   13 o    7.534000      0.3419000       7.691000 0.4405000       7.376000      0.5229000      0.3148000      0.6837000
  1 1 1     -23    5   14 o    6.532000      0.3777000       6.904000 0.4542000       6.160000      0.6036000      0.7443000      0.7554000
  1 1 1     -23    5   15 o    4.295000      0.5487000       3.459000 0.8417000       5.130000      0.7041000      -1.671000       1.097000
  1 1 1     -23    5   16 o    10.19000      0.3160000       10.24000 0.4121000       10.13000      0.4792000      0.1034000      0.6320000
  1 1 1     -23    5   17 o    6.554000      0.4066000       5.890000 0.5691000       7.219000      0.5808000      -1.329000      0.8131000
  1 1 1     -23    5   18 o    5.137000      0.4874000       4.605000 0.6501000       5.670000      0.7265000      -1.064000      0.9749000
  1 1 1     -23    5   19 o    2.606000      0.6641000       2.603000 0.9020000       2.609000      0.9751000     -0.5558000E-02   1.328000
  1 1 1     -23    5   20 o    5.102000      0.4698000       4.961000 0.6138000       5.242000      0.7114000     -0.2806000      0.9396000
  1 1 1     -23    5   21 o    4.029000      0.5582000       4.324000 0.6721000       3.734000      0.8915000      0.5905000       1.116000
  1 1 1     -23    5   22 o    2.857000      0.6361000       2.402000 0.8928000       3.311000      0.9064000     -0.9091000       1.272000
  1 1 1     -23    5   23 o    2.504000      0.6622000       2.355000 0.9306000       2.654000      0.9424000     -0.2993000       1.324000
  1 1 1     -23    5   24 o    3.679000      0.6039000       4.009000 0.7939000       3.349000      0.9103000      0.6603000       1.208000
  1 1 1     -23    6    1 o    8.918000      0.2598000       9.400000 0.3286000       8.436000      0.4025000      0.9633000      0.5196000
  1 1 1     -23    6    2 o    5.656000      0.3423000       6.252000 0.3851000       5.059000      0.5660000       1.193000      0.6846000
  1 1 1     -23    6    3 o    8.415000      0.2706000       8.794000 0.3387000       8.037000      0.4220000      0.7564000      0.5411000
  1 1 1     -23    6    4 o    6.961000      0.3016000       6.893000 0.3823000       7.030000      0.4666000     -0.1370000      0.6032000
  1 1 1     -23    6    5 o    7.449000      0.3033000       7.079000 0.3931000       7.820000      0.4619000     -0.7405000      0.6065000
  1 1 1     -23    6    6 o    2.200000      0.5701000       1.558000 0.6943000       2.841000      0.9045000      -1.283000       1.140000
  1 1 1     -23    6    7 o    6.902000      0.3299000       6.968000 0.4243000       6.837000      0.5053000      0.1304000      0.6598000
  1 1 1     -23    6    8 o    2.937000      0.7044000       2.033000 0.8780000       3.840000       1.102000      -1.806000       1.409000
  1 1 1     -23    6    9 f    5.563000      0.3789000       5.573000 0.4939000       5.552000      0.5749000      0.2060000E-01  0.7579000
  1 1 1     -23    6   10 o    2.654000      0.5790000       1.927000 0.7616000       3.381000      0.8724000      -1.454000       1.158000
  1 1 1     -23    6   11 o    8.186000      0.4274000       8.937000 0.5674000       7.436000      0.6392000       1.501000      0.8547000
  1 1 1     -23    6   12 o    1.713000      0.5413000       1.741000 0.7530000       1.685000      0.7780000      0.5622000E-01   1.083000
  1 1 1     -23    6   13 o    4.059000      0.5557000       5.002000 0.5821000       3.117000      0.9468000       1.884000       1.111000
  1 1 1     -23    6   14 o    4.704000      0.5008000       4.919000 0.6134000       4.488000      0.7919000      0.4317000       1.002000
  1 1 1     -23    6   15 o    5.741000      0.4278000       6.034000 0.5074000       5.447000      0.6888000      0.5862000      0.8555000
  1 1 1     -23    6   16 o    4.492000      0.5522000       4.826000 0.6396000       4.158000      0.9002000      0.6681000       1.104000
  1 1 1     -23    6   17 o    5.181000      0.4888000       5.361000 0.5534000       5.000000      0.8060000      0.3611000      0.9777000
  1 1 1     -23    6   18 o    5.273000      0.4770000       5.245000 0.6124000       5.302000      0.7315000     -0.5699000E-01  0.9540000
  1 1 1     -23    6   19 o    2.353000      0.6161000       2.772000 0.8819000       1.934000      0.8607000      0.8374000       1.232000
  1 1 1     -23    6   20 o    2.149000      0.6218000       2.234000 0.8836000       2.064000      0.8752000      0.1702000       1.244000
  1 1 1     -23    6   21 o    2.541000      0.6395000       2.920000 0.9145000       2.162000      0.8941000      0.7572000       1.279000
  1 1 1     -23    6   22 o    3.725000      0.5837000       4.130000 0.7426000       3.321000      0.9007000      0.8089000       1.167000
  1 1 1     -23    6   23 o    2.384000      0.6251000       2.702000 0.9107000       2.065000      0.8566000      0.6373000       1.250000
  1 1 1     -23    6   24 o    2.226000      0.9291000                  ?       ?   2.226000      0.9291000                  ?              ?
  1 1 1     -23    7    1 o    10.83000      0.2507000       10.81000 0.3337000       10.84000      0.3741000     -0.2801000E-01  0.5013000
  1 1 1     -23    7    2 f    9.567000      0.2581000       9.615000 0.3381000       9.519000      0.3902000      0.9555000E-01  0.5163000
  1 1 1     -23    7    3 o    10.09000      0.2543000       10.20000 0.3301000       9.981000      0.3870000      0.2155000      0.5087000
  1 1 1     -23    7    4 o    8.755000      0.2737000       8.810000 0.3461000       8.700000      0.4242000      0.1092000      0.5475000
  1 1 1     -23    7    5 o    7.138000      0.3026000       7.213000 0.3699000       7.064000      0.4790000      0.1490000      0.6052000
  1 1 1     -23    7    6 o    3.642000      0.5054000       2.889000 0.8648000       4.395000      0.5234000      -1.505000       1.011000
  1 1 1     -23    7    7 o    1.761000      0.5865000       1.420000 0.6864000       2.102000      0.9512000     -0.6822000       1.173000
  1 1 1     -23    7    8 o    3.254000      0.6660000       3.540000 0.9624000       2.967000      0.9207000      0.5730000       1.332000
  1 1 1     -23    7    9 o    3.676000      0.5615000       4.316000 0.6327000       3.037000      0.9277000       1.278000       1.123000
  1 1 1     -23    7   10 o    7.500000      0.4450000       8.151000 0.5840000       6.850000      0.6716000       1.301000      0.8900000
  1 1 1     -23    7   11 o    8.842000      0.3059000       8.564000 0.4029000       9.120000      0.4605000     -0.5557000      0.6118000
  1 1 1     -23    7   12 o    9.118000      0.3039000       8.956000 0.3859000       9.281000      0.4695000     -0.3253000      0.6077000
  1 1 1     -23    7   13 o    4.047000      0.5594000       3.619000 0.7716000       4.475000      0.8101000     -0.8563000       1.119000
  1 1 1     -23    7   14 o    2.304000      0.5970000       1.464000 0.6857000       3.144000      0.9775000      -1.680000       1.194000
  1 1 1     -23    7   15 o    9.492000      0.3163000       9.267000 0.4163000       9.716000      0.4764000     -0.4490000      0.6326000
  1 1 1     -23    7   16 o    2.178000      0.6062000       2.361000 0.8317000       1.994000      0.8822000      0.3668000       1.212000
  1 1 1     -23    7   17 o    4.317000      0.5845000       5.081000 0.6092000       3.552000      0.9978000       1.529000       1.169000
  1 1 1     -23    7   18 o    3.551000      0.6003000       4.400000 0.6479000       2.701000       1.011000       1.700000       1.201000
  1 1 1     -23    7   19 o    3.626000      0.6084000       4.572000 0.6896000       2.680000       1.002000       1.892000       1.217000
  1 1 1     -23    7   20 o    3.612000      0.6138000       3.176000 0.8591000       4.047000      0.8770000     -0.8712000       1.228000
  1 1 1     -23    7   21 o    3.966000      0.5948000       4.699000 0.7286000       3.233000      0.9403000       1.466000       1.190000
  1 1 1     -23    7   22 o    2.253000      0.6221000       1.920000 0.8332000       2.586000      0.9240000     -0.6659000       1.244000
  1 1 1     -23    7   23 o    3.257000      0.5707000       3.004000 0.8100000       3.511000      0.8043000     -0.5074000       1.141000
  1 1 1     -23    8    1 o    4.254000      0.4620000       4.085000 0.6483000       4.422000      0.6585000     -0.3369000      0.9241000
  1 1 1     -23    8    2 o    2.415000      0.6275000       2.309000 0.8908000       2.522000      0.8838000     -0.2130000       1.255000
  1 1 1     -23    8    3 o    5.986000      0.3299000       5.911000 0.3902000       6.062000      0.5320000     -0.1512000      0.6598000
  1 1 1     -23    8    4 o    3.481000      0.5264000       3.488000 0.6371000       3.474000      0.8381000      0.1366000E-01   1.053000
  1 1 1     -23    8    5 o    2.316000      0.6755000       2.284000 0.8912000       2.347000       1.015000     -0.6300000E-01   1.351000
  1 1 1     -23    8    6 o    7.241000      0.5607000       7.241000 0.5607000                  ?              ?              ?              ?
  1 1 1     -23    8    7 o    10.59000      0.2791000       10.84000 0.3662000       10.33000      0.4212000      0.5072000      0.5581000
  1 1 1     -23    8    8 o    7.290000      0.4600000                  ?       ?   7.290000      0.4600000                  ?              ?
  1 1 1     -23    8    9 o    3.132000      0.6810000       3.893000 0.9402000       2.370000      0.9854000       1.524000       1.362000
  1 1 1     -23    8   10 o    6.175000      0.3679000       6.194000 0.4628000       6.156000      0.5720000      0.3797000E-01  0.7357000
  1 1 1     -23    8   11 o    6.719000      0.3660000       6.847000 0.4623000       6.591000      0.5675000      0.2559000      0.7319000
  1 1 1     -23    8   12 o    9.721000      0.3110000       9.736000 0.4023000       9.706000      0.4743000      0.3030000E-01  0.6219000
  1 1 1     -23    8   13 o    8.461000      0.3260000       8.548000 0.4210000       8.373000      0.4977000      0.1745000      0.6519000
  1 1 1     -23    8   14 o    2.466000      0.6041000       1.727000 0.7507000       3.206000      0.9467000      -1.479000       1.208000
  1 1 1     -23    8   15 o    3.120000      0.6493000       2.701000 0.8469000       3.538000      0.9843000     -0.8366000       1.299000
  1 1 1     -23    8   16 o    4.622000      0.5329000       5.050000 0.5869000       4.195000      0.8897000      0.8542000       1.066000
  1 1 1     -23    8   17 o    3.557000      0.5932000       4.324000 0.6401000       2.790000      0.9989000       1.534000       1.186000
  1 1 1     -23    8   18 o    2.091000      0.5952000       1.518000 0.7103000       2.665000      0.9552000      -1.146000       1.190000
  1 1 1     -23    8   19 o    3.429000      0.6458000       3.265000 0.8877000       3.594000      0.9381000     -0.3295000       1.292000
  1 1 1     -23    8   20 o    4.128000      0.5697000       5.057000 0.6352000       3.200000      0.9458000       1.857000       1.139000
  1 1 1     -23    8   21 o    4.840000      0.4915000       4.441000 0.7276000       5.239000      0.6609000     -0.7985000      0.9829000
  1 1 1     -23    8   22 o    3.663000      0.7641000       2.975000 1.063000       4.351000       1.098000      -1.376000       1.528000
  1 1 1     -23    9    1 o    5.864000      0.3667000       5.701000 0.5050000       6.028000      0.5317000     -0.3263000      0.7333000
  1 1 1     -23    9    2 o    4.329000      0.4846000       4.502000 0.6164000       4.156000      0.7479000      0.3453000      0.9692000
  1 1 1     -23    9    3 o    6.871000      0.3480000       7.040000 0.4690000       6.702000      0.5142000      0.3378000      0.6960000
  1 1 1     -23    9    4 o    5.056000      0.5604000       4.814000 0.6822000       5.298000      0.8893000     -0.4841000       1.121000
  1 1 1     -23    9    5 o    2.414000      0.5966000       3.148000 0.9092000       1.680000      0.7729000       1.468000       1.193000
  1 1 1     -23    9    6 o    7.281000      0.3090000       7.654000 0.4170000       6.907000      0.4561000      0.7475000      0.6180000
  1 1 1     -23    9    7 o    7.165000      0.4674000       6.503000 0.6782000       7.826000      0.6434000      -1.323000      0.9348000
  1 1 1     -23    9    8 o    5.060000      0.8445000                  ?       ?   5.060000      0.8445000                  ?              ?
  1 1 1     -23    9    9 o    6.459000      0.3813000       7.274000 0.4168000       5.645000      0.6386000       1.629000      0.7625000
  1 1 1     -23    9   10 o    6.369000      0.3700000       6.498000 0.4519000       6.239000      0.5860000      0.2592000      0.7400000
  1 1 1     -23    9   11 o    2.043000      0.5992000       1.835000 0.7732000       2.251000      0.9156000     -0.4157000       1.198000
  1 1 1     -23    9   12 o    5.281000      0.4439000       5.357000 0.5349000       5.205000      0.7085000      0.1521000      0.8877000
  1 1 1     -23    9   13 o    3.787000      0.5888000       3.922000 0.7205000       3.651000      0.9315000      0.2716000       1.178000
  1 1 1     -23    9   14 o    2.471000      0.6128000       1.635000 0.7365000       3.306000      0.9796000      -1.671000       1.226000
  1 1 1     -23    9   15 o    2.285000      0.6361000       2.044000 0.8289000       2.526000      0.9651000     -0.4812000       1.272000
  1 1 1     -23    9   16 o    4.616000      0.5092000       4.468000 0.6296000       4.763000      0.8006000     -0.2953000       1.018000
  1 1 1     -23    9   17 o    1.955000      0.5845000       2.193000 0.8579000       1.718000      0.7941000      0.4753000       1.169000
  1 1 1     -23    9   18 o    3.899000      0.5793000       2.939000 0.9054000       4.860000      0.7230000      -1.921000       1.159000
  1 1 1     -23    9   19 o    4.113000      0.5593000       3.910000 0.7623000       4.316000      0.8187000     -0.4065000       1.119000
  1 1 1     -23    9   20 o    2.462000      0.6349000       2.868000 0.9300000       2.056000      0.8647000      0.8125000       1.270000
  1 1 1     -23   10    1 o    2.780000      0.6187000       2.450000 0.8669000       3.110000      0.8829000     -0.6592000       1.237000
  1 1 1     -23   10    2 o    3.782000      0.6649000       4.257000 0.7477000       3.308000       1.100000      0.9497000       1.330000
  1 1 1     -23   10    3 o    3.269000      0.7005000       2.614000 0.9212000       3.924000       1.055000      -1.310000       1.401000
  1 1 1     -23   10    4 o    1.892000      0.5720000       2.091000 0.8474000       1.693000      0.7684000      0.3989000       1.144000
  1 1 1     -23   10    5 f    5.028000      0.4467000       5.189000 0.5614000       4.868000      0.6950000      0.3212000      0.8934000
  1 1 1     -23   10    6 o    2.724000      0.8132000       2.859000 1.248000       2.589000       1.043000      0.2706000       1.626000
  1 1 1     -23   10    7 o    2.723000      0.5923000       3.680000 0.8730000       1.766000      0.8007000       1.914000       1.185000
  1 1 1     -23   10    8 o    2.918000      0.6207000       2.422000 0.8332000       3.413000      0.9202000     -0.9911000       1.241000
  1 1 1     -23   10    9 o    2.783000      0.6507000       2.267000 0.8727000       3.298000      0.9654000      -1.032000       1.301000
  1 1 1     -23   10   10 o    4.428000      0.5206000       4.029000 0.7207000       4.827000      0.7515000     -0.7974000       1.041000
  1 1 1     -23   10   11 o    2.828000      0.6510000       2.387000 0.8477000       3.269000      0.9881000     -0.8818000       1.302000
  1 1 1     -23   10   12 o    2.995000      0.6530000       2.939000 0.8402000       3.051000      0.9997000     -0.1126000       1.306000
  1 1 1     -23   10   13 o    5.328000      0.4834000       5.795000 0.5119000       4.861000      0.8202000      0.9343000      0.9668000
  1 1 1     -23   10   14 o    2.502000      0.6361000       2.888000 0.8786000       2.115000      0.9201000      0.7739000       1.272000
  1 1 1     -23   10   15 o    6.059000      0.4122000       5.961000 0.4972000       6.156000      0.6576000     -0.1954000      0.8244000
  1 1 1     -23   10   16 o    4.054000      0.5733000       3.930000 0.7236000       4.178000      0.8895000     -0.2480000       1.147000
  1 1 1     -23   10   17 o    4.102000      0.5654000       4.382000 0.6786000       3.822000      0.9044000      0.5605000       1.131000
  1 1 1     -23   10   18 o    2.111000      0.6023000       1.528000 0.7221000       2.695000      0.9642000      -1.167000       1.205000
  1 1 1     -23   10   19 o    3.215000      0.6393000       2.900000 0.9105000       3.530000      0.8977000     -0.6295000       1.279000
  1 1 1     -23   11    1 o    6.274000      0.4467000       6.700000 0.4863000       5.849000      0.7496000      0.8507000      0.8935000
  1 1 1     -23   11    2 o    2.404000      0.5829000       2.986000 0.8534000       1.821000      0.7942000       1.165000       1.166000
  1 1 1     -23   11    3 f    4.754000      0.4747000       4.691000 0.6952000       4.816000      0.6466000     -0.1244000      0.9494000
  1 1 1     -23   11    4 o    4.008000      0.8518000       4.054000 1.368000       3.961000       1.015000      0.9316000E-01   1.704000
  1 1 1     -23   11    5 o    3.425000      0.8788000       3.916000 1.367000       2.934000       1.105000      0.9818000       1.758000
  1 1 1     -23   11    6 o    2.561000      0.6566000       2.770000 0.9217000       2.353000      0.9355000      0.4169000       1.313000
  1 1 1     -23   11    7 o    3.002000      0.6390000       3.565000 0.9095000       2.439000      0.8978000       1.125000       1.278000
  1 1 1     -23   11    8 o    2.930000      0.6282000       2.156000 0.8814000       3.703000      0.8952000      -1.547000       1.256000
  1 1 1     -23   11    9 o    2.480000      0.7448000       3.015000 1.224000       1.944000      0.8483000       1.071000       1.490000
  1 1 1     -23   11   10 o    4.154000      0.6310000       5.006000 0.8630000       3.302000      0.9207000       1.704000       1.262000
  1 1 1     -23   11   11 o    3.077000      0.6040000       3.669000 0.7467000       2.484000      0.9495000       1.185000       1.208000
  1 1 1     -23   11   12 o    3.141000      0.6247000       3.339000 0.8324000       2.944000      0.9318000      0.3950000       1.249000
  1 1 1     -23   11   13 o    8.864000      0.3224000       8.939000 0.4116000       8.790000      0.4963000      0.1485000      0.6448000
  1 1 1     -23   11   14 o    9.812000      0.3131000       10.11000 0.4050000       9.518000      0.4776000      0.5884000      0.6262000
  1 1 1     -23   11   15 o    5.856000      0.4243000       6.237000 0.5019000       5.474000      0.6843000      0.7636000      0.8486000
  1 1 1     -23   11   16 o    2.718000      0.6579000       2.714000 0.8911000       2.722000      0.9681000     -0.7326000E-02   1.316000
  1 1 1     -23   11   17 o    2.245000      0.5995000       2.842000 0.9160000       1.647000      0.7738000       1.194000       1.199000
  1 1 1     -23   11   18 o    2.428000      0.6092000       3.105000 0.9152000       1.751000      0.8044000       1.354000       1.218000
  1 1 1     -23   12    1 o    3.421000      0.5762000       2.959000 0.8702000       3.883000      0.7555000     -0.9244000       1.152000
  1 1 1     -23   12    2 o    5.053000      0.8032000       4.640000 1.376000       5.466000      0.8284000     -0.8251000       1.606000
  1 1 1     -23   12    3 o    5.671000      0.7014000       5.968000 1.112000       5.373000      0.8557000      0.5947000       1.403000
  1 1 1     -23   12    4 o    3.769000      0.5813000       3.753000 0.8112000       3.784000      0.8329000     -0.3151000E-01   1.163000
  1 1 1     -23   12    5 o    3.807000      0.5739000       3.650000 0.8392000       3.963000      0.7832000     -0.3124000       1.148000
  1 1 1     -23   12    6 o    2.430000      0.6505000       2.407000 0.9166000       2.453000      0.9233000     -0.4533000E-01   1.301000
  1 1 1     -23   12    7 o    6.102000      0.5664000       6.102000 0.5664000                  ?              ?              ?              ?
  1 1 1     -23   12    8 o    4.548000      0.5279000       5.218000 0.6345000       3.878000      0.8438000       1.340000       1.056000
  1 1 1     -23   12    9 o    2.552000      0.9330000                  ?       ?   2.552000      0.9330000                  ?              ?
  1 1 1     -23   12   10 o    3.182000      0.5879000       2.031000 0.8554000       4.333000      0.8068000      -2.302000       1.176000
  1 1 1     -23   12   11 o    3.495000      0.6202000       4.320000 0.7596000       2.670000      0.9805000       1.650000       1.240000
  1 1 1     -23   12   12 o    4.077000      0.6522000       4.095000 0.9538000       4.059000      0.8897000      0.3638000E-01   1.304000
  1 1 1     -23   12   13 o    7.570000      0.3516000       7.809000 0.4188000       7.330000      0.5648000      0.4793000      0.7031000
  1 1 1     -23   12   14 o    6.476000      0.3803000       6.643000 0.4668000       6.309000      0.6005000      0.3344000      0.7607000
  1 1 1     -23   12   15 o    2.772000      0.6512000       2.518000 0.8852000       3.026000      0.9552000     -0.5077000       1.302000
  1 1 1     -23   12   16 o    4.548000      0.5223000       4.640000 0.6667000       4.456000      0.8043000      0.1837000       1.045000
  1 1 1     -23   13    1 o    2.940000      0.7242000       2.202000 1.029000       3.679000       1.019000      -1.476000       1.448000
  1 1 1     -23   13    2 o    6.984000      0.3627000       7.434000 0.4967000       6.533000      0.5287000      0.9002000      0.7254000
  1 1 1     -23   13    3 o    6.300000      0.3726000       6.475000 0.5131000       6.125000      0.5404000      0.3493000      0.7451000
  1 1 1     -23   13    4 o    5.069000      0.4855000       5.853000 0.5954000       4.285000      0.7670000       1.568000      0.9709000
  1 1 1     -23   13    5 o    4.852000      0.4738000       4.687000 0.6783000       5.018000      0.6616000     -0.3316000      0.9475000
  1 1 1     -23   13    6 o    4.010000      0.5646000       2.963000 0.9078000       5.057000      0.6715000      -2.095000       1.129000
  1 1 1     -23   13    7 o    6.459000      0.3688000       6.664000 0.5266000       6.254000      0.5164000      0.4096000      0.7375000
  1 1 1     -23   13    8 o    2.936000      0.6115000       3.623000 0.8360000       2.250000      0.8927000       1.373000       1.223000
  1 1 1     -23   13    9 f    4.362000      0.6006000       4.816000 0.8269000       3.908000      0.8713000      0.9081000       1.201000
  1 1 1     -23   13   10 o    5.180000      0.4739000       5.561000 0.5869000       4.798000      0.7442000      0.7628000      0.9478000
  1 1 1     -23   13   11 o    3.487000      0.6342000       3.179000 0.9146000       3.796000      0.8789000     -0.6166000       1.268000
  1 1 1     -23   13   12 o    2.778000      0.6100000       3.563000 0.8593000       1.994000      0.8662000       1.569000       1.220000
  1 1 1     -23   13   13 o    2.454000      0.6628000       2.414000 0.9143000       2.494000      0.9599000     -0.8062000E-01   1.326000
  1 1 1     -23   13   14 f    2.891000      0.6957000       2.433000 1.006000       3.350000      0.9611000     -0.9171000       1.391000
  1 1 1     -23   14    1 o    7.020000      0.3565000       6.573000 0.5209000       7.467000      0.4870000     -0.8939000      0.7131000
  1 1 1     -23   14    2 o    7.448000      0.3554000       7.364000 0.5052000       7.532000      0.5000000     -0.1675000      0.7108000
  1 1 1     -23   14    3 o    5.780000      0.4132000       6.243000 0.5169000       5.317000      0.6447000      0.9257000      0.8264000
  1 1 1     -23   14    4 o    5.045000      0.4672000       5.148000 0.6664000       4.943000      0.6551000      0.2045000      0.9344000
  1 1 1     -23   14    5 o    3.232000      0.6356000       2.760000 0.9491000       3.704000      0.8455000     -0.9434000       1.271000
  1 1 1     -23   14    6 o    2.261000      0.6313000       1.909000 0.8326000       2.613000      0.9493000     -0.7036000       1.263000
  1 1 1     -23   14    7 f    2.880000      0.6736000       2.885000 0.9223000       2.874000      0.9820000      0.1126000E-01   1.347000
  1 1 1     -23   14    8 o    3.430000      0.6470000       3.637000 0.8698000       3.222000      0.9581000      0.4146000       1.294000
  1 1 1     -23   14    9 o    2.939000      0.6446000       2.499000 0.9129000       3.379000      0.9102000     -0.8795000       1.289000
  1 1 1     -23   14   10 o    5.612000      0.4415000       5.704000 0.6123000       5.520000      0.6363000      0.1838000      0.8831000
  1 1 1     -23   14   11 o    2.476000      0.6604000       2.393000 0.9317000       2.560000      0.9362000     -0.1673000       1.321000
  1 1 1     -23   14   12 o    2.547000      0.6541000       2.166000 0.9051000       2.929000      0.9446000     -0.7621000       1.308000
  1 1 1     -23   15    1 o    3.021000      0.6234000       3.581000 0.8338000       2.462000      0.9270000       1.119000       1.247000
  1 1 1     -23   15    2 o    3.696000      0.6118000       4.056000 0.7987000       3.337000      0.9271000      0.7193000       1.224000
  1 1 1     -23   15    3 o    2.399000      0.6156000       1.783000 0.7766000       3.015000      0.9552000      -1.232000       1.231000
  1 1 1     -23   15    4 o    2.511000      0.6383000       2.075000 0.8731000       2.946000      0.9312000     -0.8705000       1.277000
  1 1 1     -23   15    5 o    3.194000      0.6449000       3.458000 0.8848000       2.929000      0.9385000      0.5291000       1.290000
  1 1 1     -23   15    6 o    3.590000      0.6485000       4.007000 0.8540000       3.173000      0.9761000      0.8338000       1.297000
  1 1 1     -23   15    7 o    4.811000      0.5214000       4.518000 0.7321000       5.104000      0.7427000     -0.5861000       1.043000
  1 1 1     -23   15    8 o    3.480000      0.6892000       2.879000 0.9385000       4.081000       1.009000      -1.202000       1.378000
  1 1 1     -23   15    9 o    2.953000      0.6388000       3.596000 0.9009000       2.311000      0.9058000       1.285000       1.278000
  1 1 1     -23   15   10 o    3.534000       1.259000       3.534000 1.259000                  ?              ?              ?              ?
  1 1 1     -23   16    1 o    2.556000      0.6619000       2.947000 0.9647000       2.165000      0.9065000      0.7820000       1.324000
  1 1 1     -23   16    2 o    2.111000      0.6243000       2.088000 0.8731000       2.134000      0.8927000     -0.4555000E-01   1.249000
  1 1 1     -23   16    3 o    2.682000      0.6693000       2.570000 0.9336000       2.794000      0.9592000     -0.2235000       1.339000
  1 1 1     -23   16    4 o    1.927000      0.5970000       1.946000 0.8437000       1.909000      0.8450000      0.3752000E-01   1.194000
  1 1 1     -23   16    5 o    2.301000      0.7334000       2.665000 1.136000       1.937000      0.9280000      0.7282000       1.467000
  1 1 1     -22  -36    1 o    4.250000      0.6783000       3.844000 1.010000       4.656000      0.9056000     -0.8120000       1.357000
  1 1 1     -22  -36    2 o    3.919000      0.7245000       3.610000 1.008000       4.228000       1.041000     -0.6187000       1.449000
  1 1 1     -22  -36    3 o    2.685000      0.7370000       2.300000 0.9769000       3.070000       1.104000     -0.7710000       1.474000
  1 1 1     -22  -36    4 f    2.822000      0.7151000       2.241000 0.9406000       3.402000       1.077000      -1.160000       1.430000
  1 1 1     -22  -36    5 o    3.059000      0.7511000       2.966000 1.048000       3.151000       1.076000     -0.1847000       1.502000
  1 1 1     -22  -36    6 o    2.691000      0.7179000       3.041000 1.018000       2.340000       1.013000      0.7011000       1.436000
  1 1 1     -22  -36    7 o    2.349000       1.097000       2.349000 1.097000                  ?              ?              ?              ?
  1 1 1     -22  -35    1 o    3.691000      0.6953000       3.999000 0.9226000       3.384000       1.041000      0.6148000       1.391000
  1 1 1     -22  -35    2 o    2.926000      0.7213000       3.183000 1.026000       2.669000       1.014000      0.5137000       1.443000
  1 1 1     -22  -35    3 f    2.624000      0.6714000       3.193000 0.9828000       2.056000      0.9148000       1.136000       1.343000
  1 1 1     -22  -35    4 o    2.475000      0.6991000       2.118000 0.9102000       2.833000       1.061000     -0.7146000       1.398000
  1 1 1     -22  -35    5 o    2.693000      0.6387000       3.518000 0.9370000       1.867000      0.8680000       1.651000       1.277000
  1 1 1     -22  -35    6 o    4.858000      0.5818000       4.194000 0.9131000       5.521000      0.7212000      -1.327000       1.164000
  1 1 1     -22  -35    7 o    2.390000      0.6980000       2.487000 0.9863000       2.294000      0.9880000      0.1933000       1.396000
  1 1 1     -22  -35    8 o    2.460000      0.7125000       2.177000 0.9391000       2.744000       1.072000     -0.5679000       1.425000
  1 1 1     -22  -35    9 o    2.363000      0.6882000       1.814000 0.8595000       2.911000       1.075000      -1.097000       1.376000
  1 1 1     -22  -35   10 o    3.268000      0.7055000       2.908000 0.9461000       3.629000       1.047000     -0.7208000       1.411000
  1 1 1     -22  -34    1 o    4.670000      0.5699000       4.839000 0.7032000       4.502000      0.8970000      0.3375000       1.140000
  1 1 1     -22  -34    2 o    2.929000      0.7120000       2.884000 0.9440000       2.974000       1.066000     -0.8965000E-01   1.424000
  1 1 1     -22  -34    3 o    4.525000      0.5974000       5.181000 0.6807000       3.868000      0.9820000       1.314000       1.195000
  1 1 1     -22  -34    4 f    2.689000      0.7129000       2.870000 1.020000       2.507000      0.9961000      0.3634000       1.426000
  1 1 1     -22  -34    5 o    2.376000      0.6851000       2.262000 0.9340000       2.490000       1.002000     -0.2274000       1.370000
  1 1 1     -22  -34    6 o    2.368000      0.6802000       2.614000 0.9879000       2.121000      0.9351000      0.4938000       1.360000
  1 1 1     -22  -34    7 o    3.396000      0.6284000       4.553000 0.7991000       2.239000      0.9701000       2.314000       1.257000
  1 1 1     -22  -34    8 o    3.579000      0.7353000       4.101000 1.008000       3.058000       1.071000       1.044000       1.471000
  1 1 1     -22  -34    9 o    2.899000      0.6911000       3.464000 0.9676000       2.334000      0.9870000       1.131000       1.382000
  1 1 1     -22  -34   10 o    4.213000      0.6814000       4.485000 0.8880000       3.942000       1.034000      0.5435000       1.363000
  1 1 1     -22  -34   11 o    2.633000      0.7126000       2.031000 0.8979000       3.234000       1.107000      -1.204000       1.425000
  1 1 1     -22  -34   12 o    2.526000      0.7325000       2.578000 1.029000       2.474000       1.043000      0.1041000       1.465000
  1 1 1     -22  -34   13 o    2.603000      0.7539000       2.702000 1.167000       2.503000      0.9543000      0.1990000       1.508000
  1 1 1     -22  -33    1 o    2.551000      0.6537000       2.898000 0.9386000       2.204000      0.9102000      0.6941000       1.307000
  1 1 1     -22  -33    2 o    3.455000      0.6421000       4.017000 0.8319000       2.893000      0.9784000       1.125000       1.284000
  1 1 1     -22  -33    3 f    4.054000      0.6174000       4.948000 0.7013000       3.161000       1.016000       1.787000       1.235000
  1 1 1     -22  -33    4 o    5.016000      0.5184000       5.052000 0.6932000       4.981000      0.7709000      0.7156000E-01   1.037000
  1 1 1     -22  -33    5 o    4.964000      0.5258000       5.011000 0.6841000       4.917000      0.7987000      0.9450000E-01   1.052000
  1 1 1     -22  -33    6 o    3.820000      0.6977000       3.759000 0.9501000       3.881000       1.022000     -0.1221000       1.395000
  1 1 1     -22  -33    7 o    3.876000      0.7128000       3.958000 1.002000       3.794000       1.014000      0.1639000       1.426000
  1 1 1     -22  -33    8 o    2.683000      0.6767000       3.363000 1.003000       2.002000      0.9083000       1.361000       1.353000
  1 1 1     -22  -33    9 f    2.976000      0.6585000       3.895000 0.9441000       2.057000      0.9181000       1.839000       1.317000
  1 1 1     -22  -33   10 f    2.444000      0.6957000       1.873000 0.8581000       3.015000       1.095000      -1.143000       1.391000
  1 1 1     -22  -33   11 o    3.842000      0.6694000       4.895000 0.7987000       2.789000       1.074000       2.106000       1.339000
  1 1 1     -22  -33   12 o    2.665000      0.7282000       2.262000 0.9392000       3.067000       1.113000     -0.8044000       1.456000
  1 1 1     -22  -33   13 o    1.966000      0.6269000       1.900000 0.8588000       2.031000      0.9135000     -0.1303000       1.254000
  1 1 1     -22  -33   14 o    2.122000      0.6641000       1.889000 0.8571000       2.355000       1.015000     -0.4652000       1.328000
  1 1 1     -22  -33   15 o    2.896000      0.7557000       2.798000 1.021000       2.993000       1.115000     -0.1956000       1.511000
  1 1 1     -22  -32    1 o    5.296000      0.4236000       5.426000 0.5383000       5.167000      0.6543000      0.2587000      0.8473000
  1 1 1     -22  -32    2 o    2.395000      0.6074000       2.786000 0.8528000       2.004000      0.8651000      0.7821000       1.215000
  1 1 1     -22  -32    3 o    5.091000      0.4603000       5.538000 0.5740000       4.644000      0.7199000      0.8940000      0.9207000
  1 1 1     -22  -32    4 o    6.221000      0.3887000       6.115000 0.5158000       6.327000      0.5818000     -0.2122000      0.7775000
  1 1 1     -22  -32    5 o    3.458000      0.6409000       3.108000 0.9230000       3.809000      0.8894000     -0.7006000       1.282000
  1 1 1     -22  -32    6 o    2.365000      0.6655000       2.494000 0.9354000       2.235000      0.9468000      0.2586000       1.331000
  1 1 1     -22  -32    7 o    3.182000      0.6727000       3.840000 0.9109000       2.524000      0.9902000       1.316000       1.345000
  1 1 1     -22  -32    8 o    2.389000      0.6486000       2.675000 0.9181000       2.103000      0.9164000      0.5713000       1.297000
  1 1 1     -22  -32    9 o    2.283000      0.6384000       2.790000 0.9673000       1.776000      0.8334000       1.014000       1.277000
  1 1 1     -22  -32   10 f    2.610000      0.7074000       2.526000 0.9534000       2.694000       1.045000     -0.1681000       1.415000
  1 1 1     -22  -32   11 o    2.434000      0.6910000       2.349000 0.9347000       2.519000       1.018000     -0.1708000       1.382000
  1 1 1     -22  -32   12 o    2.568000      0.7109000       2.743000 1.002000       2.393000       1.008000      0.3502000       1.422000
  1 1 1     -22  -32   13 o    4.095000      0.6737000       3.530000 1.029000       4.660000      0.8698000      -1.129000       1.347000
  1 1 1     -22  -32   14 o    2.998000      0.7205000       3.148000 0.9745000       2.849000       1.062000      0.2997000       1.441000
  1 1 1     -22  -32   15 o    3.274000      0.7316000       3.770000 0.9868000       2.779000       1.080000      0.9906000       1.463000
  1 1 1     -22  -32   16 o    3.327000      0.7537000       3.653000 1.049000       3.002000       1.083000      0.6517000       1.507000
  1 1 1     -22  -32   17 o    3.532000      0.8005000       3.951000 1.267000       3.113000      0.9786000      0.8380000       1.601000
  1 1 1     -22  -31    1 o    2.848000      0.5774000       3.613000 0.7829000       2.083000      0.8488000       1.530000       1.155000
  1 1 1     -22  -31    2 o    5.468000      0.4187000       5.672000 0.5706000       5.264000      0.6128000      0.4085000      0.8373000
  1 1 1     -22  -31    3 o    2.515000      0.6326000       2.254000 0.8717000       2.775000      0.9170000     -0.5208000       1.265000
  1 1 1     -22  -31    4 o    2.550000      0.6357000       2.133000 0.8732000       2.967000      0.9241000     -0.8341000       1.271000
  1 1 1     -22  -31    5 o    2.611000      0.6274000       1.946000 0.8434000       3.276000      0.9291000      -1.330000       1.255000
  1 1 1     -22  -31    6 o    2.876000      0.6859000       2.896000 0.9440000       2.857000      0.9953000      0.3948000E-01   1.372000
  1 1 1     -22  -31    7 o    2.176000      0.6254000       2.339000 0.8764000       2.013000      0.8925000      0.3252000       1.251000
  1 1 1     -22  -31    8 o    2.721000      0.6366000       3.461000 0.9180000       1.981000      0.8823000       1.480000       1.273000
  1 1 1     -22  -31    9 o    2.518000      0.6699000       2.741000 0.9504000       2.294000      0.9445000      0.4472000       1.340000
  1 1 1     -22  -31   10 o    3.523000      0.6283000       4.159000 0.7383000       2.887000       1.017000       1.272000       1.257000
  1 1 1     -22  -31   11 o    2.192000      0.6571000       1.912000 0.8530000       2.472000      0.9997000     -0.5597000       1.314000
  1 1 1     -22  -31   12 o    3.472000      0.7014000       3.595000 0.9031000       3.350000       1.073000      0.2445000       1.403000
  1 1 1     -22  -31   13 f    3.617000      0.6280000       2.180000 0.9393000       5.055000      0.8339000      -2.875000       1.256000
  1 1 1     -22  -31   14 o    1.880000      0.6025000       1.888000 0.8468000       1.873000      0.8574000      0.1518000E-01   1.205000
  1 1 1     -22  -31   15 o    3.235000      0.6892000       3.890000 0.9387000       2.580000       1.010000       1.310000       1.378000
  1 1 1     -22  -31   16 o    2.935000      0.7341000       3.066000 1.044000       2.804000       1.033000      0.2624000       1.468000
  1 1 1     -22  -31   17 o    2.760000      0.7186000       3.070000 1.025000       2.449000       1.008000      0.6208000       1.437000
  1 1 1     -22  -31   18 o    3.439000      0.6180000       4.697000 0.7933000       2.181000      0.9479000       2.516000       1.236000
  1 1 1     -22  -30    1 o    4.103000      0.6758000       4.222000 0.7958000       3.984000       1.093000      0.2372000       1.352000
  1 1 1     -22  -30    2 o    7.374000      0.3358000       7.155000 0.4980000       7.594000      0.4505000     -0.4391000      0.6716000
  1 1 1     -22  -30    3 f    5.031000      0.4560000       5.723000 0.5502000       4.339000      0.7275000       1.384000      0.9121000
  1 1 1     -22  -30    4 o    4.908000      0.4780000       4.847000 0.6802000       4.970000      0.6717000     -0.1222000      0.9560000
  1 1 1     -22  -30    5 o    2.721000      0.6315000       3.240000 0.8943000       2.203000      0.8918000       1.037000       1.263000
  1 1 1     -22  -30    6 o    3.838000      0.5961000       4.170000 0.7192000       3.505000      0.9508000      0.6650000       1.192000
  1 1 1     -22  -30    7 o    2.889000      0.6599000       2.900000 0.8701000       2.879000      0.9923000      0.2077000E-01   1.320000
  1 1 1     -22  -30    8 o    3.335000      0.6454000       2.787000 0.9104000       3.882000      0.9150000      -1.095000       1.291000
  1 1 1     -22  -30    9 o    2.810000      0.6681000       3.241000 0.9337000       2.379000      0.9559000      0.8617000       1.336000
  1 1 1     -22  -30   10 o    3.689000      0.6389000       3.645000 0.8468000       3.733000      0.9570000     -0.8785000E-01   1.278000
  1 1 1     -22  -30   11 o    4.036000      0.6326000       3.708000 0.9174000       4.363000      0.8713000     -0.6552000       1.265000
  1 1 1     -22  -30   12 o    1.788000      0.5776000       1.452000 0.6963000       2.124000      0.9217000     -0.6716000       1.155000
  1 1 1     -22  -30   13 o    2.053000      0.6308000       2.302000 0.9382000       1.804000      0.8434000      0.4979000       1.262000
  1 1 1     -22  -30   14 o    2.983000      0.7113000       2.547000 0.9701000       3.419000       1.041000     -0.8713000       1.423000
  1 1 1     -22  -30   15 o    4.621000      0.6490000       4.538000 0.8856000       4.704000      0.9490000     -0.1653000       1.298000
  1 1 1     -22  -30   16 o    3.390000      0.6967000       2.766000 1.015000       4.013000      0.9548000      -1.247000       1.393000
  1 1 1     -22  -30   17 o    3.267000      0.6959000       2.527000 0.9787000       4.006000      0.9896000      -1.479000       1.392000
  1 1 1     -22  -30   18 o    3.957000      0.6966000       3.563000 1.009000       4.351000      0.9610000     -0.7876000       1.393000
  1 1 1     -22  -30   19 o    2.628000      0.7047000       3.044000 1.029000       2.212000      0.9631000      0.8321000       1.409000
  1 1 1     -22  -30   20 o    3.295000      0.9072000       3.668000 1.305000       2.922000       1.261000      0.7453000       1.814000
  1 1 1     -22  -29    1 o    7.668000      0.3217000       8.132000 0.4135000       7.203000      0.4928000      0.9295000      0.6433000
  1 1 1     -22  -29    2 o    5.836000      0.5376000       6.061000 0.5733000       5.610000      0.9095000      0.4515000       1.075000
  1 1 1     -22  -29    3 o    7.935000      0.4289000       7.622000 0.5195000       8.248000      0.6827000     -0.6253000      0.8579000
  1 1 1     -22  -29    4 o    2.276000      0.6580000       2.606000 0.9382000       1.945000      0.9228000      0.6607000       1.316000
  1 1 1     -22  -29    5 o    2.038000      0.6000000       2.311000 0.8895000       1.766000      0.8055000      0.5448000       1.200000
  1 1 1     -22  -29    6 o    2.056000      0.6044000       2.159000 0.8579000       1.952000      0.8516000      0.2067000       1.209000
  1 1 1     -22  -29    7 o    3.982000      0.5689000       3.988000 0.7274000       3.976000      0.8748000      0.1206000E-01   1.138000
  1 1 1     -22  -29    8 o    4.998000      0.4724000       4.908000 0.6269000       5.087000      0.7068000     -0.1787000      0.9448000
  1 1 1     -22  -29    9 o    4.093000      0.6067000       4.389000 0.7720000       3.798000      0.9360000      0.5916000       1.213000
  1 1 1     -22  -29   10 o    3.671000      0.6648000       3.535000 0.8989000       3.807000      0.9797000     -0.2715000       1.330000
  1 1 1     -22  -29   11 o    3.253000      0.6775000       2.941000 0.9184000       3.564000      0.9961000     -0.6231000       1.355000
  1 1 1     -22  -29   12 o    2.973000      0.7097000       2.961000 0.9545000       2.984000       1.050000     -0.2298000E-01   1.419000
  1 1 1     -22  -29   13 o    1.638000      0.5400000       1.863000 0.8257000       1.413000      0.6960000      0.4506000       1.080000
  1 1 1     -22  -29   14 o    2.243000      0.6567000       2.144000 0.8848000       2.342000      0.9706000     -0.1977000       1.313000
  1 1 1     -22  -29   15 o    2.805000      0.6524000       3.664000 0.9514000       1.946000      0.8930000       1.718000       1.305000
  1 1 1     -22  -29   16 o    2.038000      0.6396000       1.971000 0.8796000       2.106000      0.9288000     -0.1349000       1.279000
  1 1 1     -22  -29   17 o    2.881000      0.6232000       1.633000 0.7776000       4.130000      0.9742000      -2.497000       1.246000
  1 1 1     -22  -29   18 o    2.817000      0.7396000       2.833000 1.030000       2.800000       1.062000      0.3280000E-01   1.479000
  1 1 1     -22  -29   19 o    2.732000      0.6772000       3.613000 1.036000       1.852000      0.8730000       1.761000       1.354000
  1 1 1     -22  -29   20 o    2.682000      0.6849000       1.785000 0.8390000       3.579000       1.083000      -1.794000       1.370000
  1 1 1     -22  -29   21 o    2.955000      0.7417000       2.690000 1.011000       3.220000       1.086000     -0.5298000       1.483000
  1 1 1     -22  -28    1 o    2.412000      0.7428000       2.708000 1.180000       2.117000      0.9022000      0.5911000       1.486000
  1 1 1     -22  -28    2 o    7.697000      0.3029000       7.657000 0.4173000       7.738000      0.4392000     -0.8096000E-01  0.6058000
  1 1 1     -22  -28    3 o    3.035000      0.5994000       2.595000 0.8509000       3.475000      0.8444000     -0.8803000       1.199000
  1 1 1     -22  -28    4 o    3.929000      0.5245000       2.930000 0.8295000       4.928000      0.6420000      -1.998000       1.049000
  1 1 1     -22  -28    5 o    2.606000      0.7067000       2.267000 0.8747000       2.945000       1.110000     -0.6783000       1.413000
  1 1 1     -22  -28    6 o    5.361000      0.5809000       5.448000 0.6671000       5.275000      0.9512000      0.1728000       1.162000
  1 1 1     -22  -28    7 o    3.181000      0.6510000       2.854000 0.8803000       3.508000      0.9592000     -0.6541000       1.302000
  1 1 1     -22  -28    8 o    3.014000      0.6481000       2.444000 0.8642000       3.585000      0.9660000      -1.140000       1.296000
  1 1 1     -22  -28    9 o    2.345000      0.6418000       2.044000 0.8395000       2.646000      0.9711000     -0.6012000       1.284000
  1 1 1     -22  -28   10 o    4.706000      0.5799000       5.699000 0.5930000       3.713000      0.9967000       1.985000       1.160000
  1 1 1     -22  -28   11 o    1.803000      0.5730000       1.774000 0.7872000       1.831000      0.8329000     -0.5681000E-01   1.146000
  1 1 1     -22  -28   12 o    2.561000      0.6718000       2.492000 0.9266000       2.630000      0.9730000     -0.1377000       1.344000
  1 1 1     -22  -28   13 o    2.560000      0.6810000       2.431000 0.9203000       2.690000       1.004000     -0.2597000       1.362000
  1 1 1     -22  -28   14 o    3.790000      0.6873000       4.577000 0.8613000       3.004000       1.071000       1.574000       1.375000
  1 1 1     -22  -28   15 o    3.357000      0.7112000       3.252000 0.9858000       3.462000       1.025000     -0.2100000       1.422000
  1 1 1     -22  -28   16 o    2.665000      0.6738000       3.160000 0.9754000       2.171000      0.9298000      0.9889000       1.348000
  1 1 1     -22  -28   17 o    5.593000      0.5508000       5.760000 0.7214000       5.426000      0.8325000      0.3347000       1.102000
  1 1 1     -22  -28   18 o    3.726000      0.7259000       3.123000 1.026000       4.330000       1.027000      -1.207000       1.452000
  1 1 1     -22  -28   19 o    2.454000      0.7057000       2.608000 1.017000       2.301000      0.9781000      0.3069000       1.411000
  1 1 1     -22  -28   20 o    2.847000      0.7366000       2.774000 1.033000       2.920000       1.050000     -0.1460000       1.473000
  1 1 1     -22  -28   21 o    4.178000      0.6577000       5.623000 0.7613000       2.732000       1.073000       2.891000       1.315000
  1 1 1     -22  -28   22 f    2.053000      0.6392000       1.692000 0.8062000       2.415000      0.9922000     -0.7233000       1.278000
  1 1 1     -22  -27    1 o    3.880000      0.5115000       3.778000 0.7295000       3.982000      0.7171000     -0.2040000       1.023000
  1 1 1     -22  -27    2 o    4.834000      0.6965000       4.924000 1.080000       4.743000      0.8801000      0.1813000       1.393000
  1 1 1     -22  -27    3 o    7.470000      0.5229000       8.525000 0.7562000       6.415000      0.7224000       2.110000       1.046000
  1 1 1     -22  -27    4 o    1.896000      0.6048000       1.406000 0.6616000       2.385000       1.013000     -0.9789000       1.210000
  1 1 1     -22  -27    5 o    4.612000      0.4681000       4.513000 0.6092000       4.711000      0.7109000     -0.1975000      0.9362000
  1 1 1     -22  -27    6 o    8.211000      0.3082000       8.159000 0.4242000       8.262000      0.4473000     -0.1029000      0.6165000
  1 1 1     -22  -27    7 o    5.717000      0.5291000       5.056000 0.6655000       6.378000      0.8226000      -1.322000       1.058000
  1 1 1     -22  -27    8 o    7.980000      0.4559000       8.289000 0.5271000       7.670000      0.7440000      0.6194000      0.9119000
  1 1 1     -22  -27    9 o    6.960000      0.3574000       7.034000 0.4545000       6.886000      0.5518000      0.1486000      0.7149000
  1 1 1     -22  -27   10 o    2.296000      0.6290000       1.908000 0.8122000       2.684000      0.9608000     -0.7763000       1.258000
  1 1 1     -22  -27   11 f    3.235000      0.6492000       3.854000 0.8231000       2.616000       1.004000       1.238000       1.298000
  1 1 1     -22  -27   12 o    2.100000      0.6159000       1.621000 0.7504000       2.580000      0.9769000     -0.9593000       1.232000
  1 1 1     -22  -27   13 o    3.781000      0.6802000       3.888000 0.9016000       3.674000       1.019000      0.2135000       1.360000
  1 1 1     -22  -27   14 f    3.159000      0.6630000       3.803000 0.8910000       2.516000      0.9820000       1.287000       1.326000
  1 1 1     -22  -27   15 o    2.041000      0.6252000       1.743000 0.8029000       2.339000      0.9587000     -0.5957000       1.250000
  1 1 1     -22  -27   16 f    5.688000      0.5381000       6.577000 0.6172000       4.799000      0.8816000       1.779000       1.076000
  1 1 1     -22  -27   17 o    2.888000      0.7479000       2.687000 1.023000       3.089000       1.091000     -0.4022000       1.496000
  1 1 1     -22  -27   18 o    2.855000      0.7169000       3.177000 1.031000       2.533000      0.9965000      0.6442000       1.434000
  1 1 1     -22  -27   19 o    2.782000      0.7129000       2.865000 0.9882000       2.700000       1.028000      0.1657000       1.426000
  1 1 1     -22  -27   20 o    2.346000      0.6625000       1.677000 0.7909000       3.016000       1.063000      -1.339000       1.325000
  1 1 1     -22  -27   21 o    2.993000      0.7181000       3.134000 1.028000       2.852000       1.003000      0.2824000       1.436000
  1 1 1     -22  -27   22 o    2.614000      0.6986000       2.902000 1.012000       2.325000      0.9631000      0.5774000       1.397000
  1 1 1     -22  -27   23 o    2.220000      0.6471000       2.792000 1.023000       1.648000      0.7925000       1.144000       1.294000
  1 1 1     -22  -26    1 o    3.262000      0.5436000       3.134000 0.7176000       3.390000      0.8166000     -0.2555000       1.087000
  1 1 1     -22  -26    2 o    4.374000      0.4494000       4.420000 0.5733000       4.329000      0.6923000      0.9063000E-01  0.8988000
  1 1 1     -22  -26    3 o    7.864000      0.2982000       7.536000 0.4078000       8.192000      0.4352000     -0.6564000      0.5964000
  1 1 1     -22  -26    4 o    7.233000      0.4640000       7.489000 0.8150000       6.976000      0.4438000      0.5129000      0.9280000
  1 1 1     -22  -26    5 o    2.558000      0.7459000       3.309000 1.229000       1.808000      0.8463000       1.500000       1.492000
  1 1 1     -22  -26    6 o    4.751000      0.7495000       5.052000 1.145000       4.450000      0.9678000      0.6020000       1.499000
  1 1 1     -22  -26    7 o    2.318000      0.6247000       2.522000 0.8795000       2.113000      0.8874000      0.4090000       1.249000
  1 1 1     -22  -26    8 o    2.611000      0.6308000       2.663000 0.8682000       2.559000      0.9155000      0.1032000       1.262000
  1 1 1     -22  -26    9 o    2.311000      0.6881000       1.637000 0.7609000       2.984000       1.147000      -1.347000       1.376000
  1 1 1     -22  -26   10 o    7.361000      0.5291000       7.995000 0.5532000       6.727000      0.9020000       1.268000       1.058000
  1 1 1     -22  -26   11 o    2.127000      0.6202000       1.819000 0.8026000       2.435000      0.9457000     -0.6159000       1.240000
  1 1 1     -22  -26   12 o    2.205000      0.6368000       2.528000 0.9351000       1.883000      0.8645000      0.6445000       1.274000
  1 1 1     -22  -26   13 f    8.095000      0.3570000       7.961000 0.4894000       8.228000      0.5200000     -0.2662000      0.7140000
  1 1 1     -22  -26   14 o    3.438000      0.6810000       3.752000 0.9001000       3.124000       1.022000      0.6276000       1.362000
  1 1 1     -22  -26   15 f    2.729000      0.7014000       2.421000 0.9475000       3.036000       1.035000     -0.6159000       1.403000
  1 1 1     -22  -26   16 f    2.936000      0.7051000       2.542000 0.9521000       3.330000       1.040000     -0.7880000       1.410000
  1 1 1     -22  -26   17 o    3.180000      0.7129000       3.306000 0.9761000       3.055000       1.039000      0.2514000       1.426000
  1 1 1     -22  -26   18 o    2.619000      0.6794000       3.030000 0.9613000       2.209000      0.9603000      0.8215000       1.359000
  1 1 1     -22  -26   19 o    3.290000      0.6811000       2.125000 0.9173000       4.456000       1.007000      -2.331000       1.362000
  1 1 1     -22  -26   20 o    2.516000      0.7144000       2.246000 0.9554000       2.787000       1.063000     -0.5407000       1.429000
  1 1 1     -22  -26   21 o    1.961000      0.6263000       1.735000 0.8094000       2.186000      0.9559000     -0.4512000       1.253000
  1 1 1     -22  -26   22 o    3.035000      0.7327000       2.549000 1.007000       3.520000       1.065000     -0.9712000       1.465000
  1 1 1     -22  -26   23 o    2.166000      0.6559000       1.827000 0.8471000       2.506000       1.002000     -0.6780000       1.312000
  1 1 1     -22  -26   24 o    3.029000      0.7202000       3.078000 1.000000       2.980000       1.036000      0.9778000E-01   1.440000
  1 1 1     -22  -25    1 o    2.134000      0.5546000       1.667000 0.7210000       2.600000      0.8430000     -0.9331000       1.109000
  1 1 1     -22  -25    2 o    4.430000      0.4147000       4.534000 0.5281000       4.327000      0.6395000      0.2068000      0.8294000
  1 1 1     -22  -25    3 o    8.135000      0.2925000       8.448000 0.3773000       7.822000      0.4471000      0.6260000      0.5850000
  1 1 1     -22  -25    4 o    3.236000      0.5705000       2.818000 0.7963000       3.653000      0.8172000     -0.8345000       1.141000
  1 1 1     -22  -25    5 o    4.859000      0.4348000       5.086000 0.5253000       4.632000      0.6929000      0.4538000      0.8695000
  1 1 1     -22  -25    6 o    3.094000      0.5481000       3.456000 0.5875000       2.732000      0.9255000      0.7247000       1.096000
  1 1 1     -22  -25    7 o    3.010000      0.8059000       3.344000 1.226000       2.675000       1.047000      0.6684000       1.612000
  1 1 1     -22  -25    8 o    2.586000      0.7142000       2.071000 0.9817000       3.101000       1.037000      -1.029000       1.428000
  1 1 1     -22  -25    9 o    4.326000      0.5297000       4.335000 0.7116000       4.316000      0.7848000      0.1868000E-01   1.059000
  1 1 1     -22  -25   10 o    6.872000      0.3613000       7.100000 0.4795000       6.643000      0.5407000      0.4571000      0.7227000
  1 1 1     -22  -25   11 o    3.391000      0.8004000       2.799000 0.9997000       3.984000       1.250000      -1.184000       1.601000
  1 1 1     -22  -25   12 o    4.583000      0.6968000       3.974000 0.8887000       5.193000       1.073000      -1.219000       1.394000
  1 1 1     -22  -25   13 o    8.671000      0.3476000       8.560000 0.4705000       8.782000      0.5117000     -0.2216000      0.6952000
  1 1 1     -22  -25   14 o    5.736000      0.4413000       6.170000 0.5548000       5.301000      0.6864000      0.8692000      0.8826000
  1 1 1     -22  -25   15 o    2.136000      0.6426000       2.160000 0.8961000       2.111000      0.9212000      0.4933000E-01   1.285000
  1 1 1     -22  -25   16 o    2.621000      0.7077000       2.226000 0.9306000       3.016000       1.066000     -0.7897000       1.415000
  1 1 1     -22  -25   17 o    6.890000      0.4294000       6.763000 0.5946000       7.017000      0.6197000     -0.2542000      0.8588000
  1 1 1     -22  -25   18 o    5.139000      0.5564000       4.728000 0.8009000       5.550000      0.7724000     -0.8216000       1.113000
  1 1 1     -22  -25   19 f    2.667000      0.7271000       2.544000 1.003000       2.790000       1.053000     -0.2465000       1.454000
  1 1 1     -22  -25   20 o    2.920000      0.7285000       2.755000 1.029000       3.085000       1.032000     -0.3293000       1.457000
  1 1 1     -22  -25   21 o    2.629000      0.7085000       2.879000 1.020000       2.380000      0.9839000      0.4987000       1.417000
  1 1 1     -22  -25   22 o    2.499000      0.6898000       1.949000 0.8835000       3.049000       1.060000      -1.101000       1.380000
  1 1 1     -22  -25   23 o    3.686000      0.7126000       3.748000 0.9930000       3.624000       1.022000      0.1240000       1.425000
  1 1 1     -22  -25   24 o    2.984000      0.6918000       3.851000 1.010000       2.116000      0.9459000       1.735000       1.384000
  1 1 1     -22  -25   25 f    2.779000      0.7014000       2.281000 0.9591000       3.277000       1.024000     -0.9954000       1.403000
  1 1 1     -22  -24    1 o    3.904000      0.4846000       4.045000 0.6042000       3.763000      0.7577000      0.2819000      0.9691000
  1 1 1     -22  -24    2 o    4.667000      0.4117000       4.916000 0.5273000       4.417000      0.6325000      0.4993000      0.8235000
  1 1 1     -22  -24    3 o    6.517000      0.3109000       6.173000 0.4304000       6.860000      0.4486000     -0.6871000      0.6217000
  1 1 1     -22  -24    4 o    7.856000      0.2868000       8.082000 0.3796000       7.629000      0.4301000      0.4526000      0.5736000
  1 1 1     -22  -24    5 o    6.814000      0.3188000       6.379000 0.4479000       7.249000      0.4538000     -0.8702000      0.6376000
  1 1 1     -22  -24    6 o    4.794000      0.4398000       5.022000 0.5535000       4.566000      0.6837000      0.4557000      0.8796000
  1 1 1     -22  -24    7 o    7.567000      0.3247000       7.440000 0.4576000       7.695000      0.4608000     -0.2554000      0.6494000
  1 1 1     -22  -24    8 o    6.791000      0.5160000       7.595000 0.8145000       5.987000      0.6336000       1.609000       1.032000
  1 1 1     -22  -24    9 o    7.978000      0.5125000       8.852000 0.7324000       7.103000      0.7172000       1.749000       1.025000
  1 1 1     -22  -24   10 o    6.497000      0.3711000       6.390000 0.5387000       6.603000      0.5105000     -0.2131000      0.7421000
  1 1 1     -22  -24   11 o    6.013000      0.4123000       5.931000 0.5477000       6.096000      0.6164000     -0.1648000      0.8246000
  1 1 1     -22  -24   12 o    3.732000      0.5516000       4.265000 0.7248000       3.198000      0.8316000       1.067000       1.103000
  1 1 1     -22  -24   13 o    5.955000      0.6600000       6.258000 0.6732000       5.652000       1.135000      0.6058000       1.320000
  1 1 1     -22  -24   14 o    2.992000      0.6920000       2.402000 0.9463000       3.581000       1.010000      -1.179000       1.384000
  1 1 1     -22  -24   15 o    2.972000      0.6289000       3.852000 0.8765000       2.092000      0.9020000       1.760000       1.258000
  1 1 1     -22  -24   16 o    2.366000      0.6650000       2.553000 0.9489000       2.180000      0.9320000      0.3731000       1.330000
  1 1 1     -22  -24   17 o    7.883000      0.3989000       8.575000 0.4882000       7.191000      0.6311000       1.384000      0.7979000
  1 1 1     -22  -24   18 f    7.326000      0.4062000       7.405000 0.5369000       7.248000      0.6098000      0.1565000      0.8125000
  1 1 1     -22  -24   19 o    2.732000      0.7252000       3.054000 1.030000       2.410000       1.022000      0.6444000       1.450000
  1 1 1     -22  -24   20 f    2.311000      0.6832000       2.600000 1.023000       2.023000      0.9054000      0.5777000       1.366000
  1 1 1     -22  -24   21 o    3.402000      0.7234000       3.898000 0.9878000       2.906000       1.057000      0.9926000       1.447000
  1 1 1     -22  -24   22 o    2.469000      0.6974000       2.393000 0.9661000       2.545000       1.006000     -0.1516000       1.395000
  1 1 1     -22  -24   23 o    1.870000      0.5902000       1.363000 0.6738000       2.378000      0.9693000      -1.016000       1.180000
  1 1 1     -22  -24   24 o    2.874000      0.7093000       2.289000 0.9640000       3.460000       1.041000      -1.171000       1.419000
  1 1 1     -22  -24   25 o    2.145000      0.6550000       2.140000 0.9121000       2.150000      0.9405000     -0.1034000E-01   1.310000
  1 1 1     -22  -23    1 o    6.398000      0.3013000       6.333000 0.4052000       6.463000      0.4459000     -0.1300000      0.6025000
  1 1 1     -22  -23    2 o    4.372000      0.4283000       4.564000 0.5607000       4.180000      0.6476000      0.3837000      0.8566000
  1 1 1     -22  -23    3 o    5.815000      0.3378000       5.846000 0.4686000       5.784000      0.4867000      0.6247000E-01  0.6756000
  1 1 1     -22  -23    4 o    5.138000      0.3704000       4.736000 0.5465000       5.541000      0.5001000     -0.8055000      0.7408000
  1 1 1     -22  -23    5 f    2.362000      0.5876000       2.340000 0.8190000       2.383000      0.8429000     -0.4298000E-01   1.175000
  1 1 1     -22  -23    6 o    5.474000      0.3749000       6.110000 0.4707000       4.839000      0.5837000       1.271000      0.7498000
  1 1 1     -22  -23    7 o    10.19000      0.2769000       10.07000 0.3833000       10.30000      0.3998000     -0.2323000      0.5539000
  1 1 1     -22  -23    8 o    13.16000      0.2787000       12.59000 0.3871000       13.73000      0.4011000      -1.141000      0.5575000
  1 1 1     -22  -23    9 o    14.48000      0.2902000       14.62000 0.4025000       14.34000      0.4180000      0.2739000      0.5803000
  1 1 1     -22  -23   10 o    13.96000      0.4292000       13.06000 0.6417000       14.86000      0.5701000      -1.798000      0.8583000
  1 1 1     -22  -23   11 o    2.161000      0.6892000       1.932000 0.9272000       2.389000       1.020000     -0.4570000       1.378000
  1 1 1     -22  -23   12 o    4.104000      0.5585000       4.207000 0.7511000       4.001000      0.8268000      0.2061000       1.117000
  1 1 1     -22  -23   13 o    7.751000      0.3541000       7.821000 0.4765000       7.682000      0.5240000      0.1390000      0.7082000
  1 1 1     -22  -23   14 f    3.566000      0.8124000       3.973000 1.041000       3.159000       1.247000      0.8143000       1.625000
  1 1 1     -22  -23   15 o    8.863000      0.4936000       9.360000 0.5879000       8.366000      0.7930000      0.9936000      0.9872000
  1 1 1     -22  -23   16 o    2.227000      0.5901000       3.130000 0.9794000       1.323000      0.6587000       1.807000       1.180000
  1 1 1     -22  -23   17 o    9.006000      0.3574000       8.742000 0.5110000       9.269000      0.4997000     -0.5272000      0.7147000
  1 1 1     -22  -23   18 o    3.661000      0.6618000       3.040000 0.9943000       4.281000      0.8737000      -1.241000       1.324000
  1 1 1     -22  -23   19 o    2.512000      0.6994000       2.611000 0.9868000       2.414000      0.9914000      0.1964000       1.399000
  1 1 1     -22  -23   20 o    2.929000      0.7347000       2.961000 1.016000       2.897000       1.062000      0.6435000E-01   1.469000
  1 1 1     -22  -23   21 o    6.378000      0.4529000       6.907000 0.5776000       5.849000      0.6977000       1.058000      0.9058000
  1 1 1     -22  -23   22 o    4.050000      0.7043000       4.439000 0.9536000       3.662000       1.037000      0.7769000       1.409000
  1 1 1     -22  -23   23 o    3.319000      0.7194000       3.522000 1.004000       3.116000       1.030000      0.4060000       1.439000
  1 1 1     -22  -23   24 o    2.783000      0.7123000       2.108000 0.9341000       3.458000       1.076000      -1.350000       1.425000
  1 1 1     -22  -23   25 o    2.257000      0.6493000       2.560000 0.9553000       1.953000      0.8796000      0.6070000       1.299000
  1 1 1     -22  -23   26 o    2.335000      0.6873000       2.277000 0.9501000       2.393000      0.9934000     -0.1162000       1.375000
  1 1 1     -22  -22    1 o    12.94000      0.2580000       13.04000 0.3631000       12.85000      0.3666000      0.1905000      0.5159000
  1 1 1     -22  -22    2 o    9.524000      0.2573000       9.670000 0.3642000       9.378000      0.3636000      0.2916000      0.5146000
  1 1 1     -22  -22    3 o    8.761000      0.2654000       8.852000 0.3681000       8.670000      0.3825000      0.1826000      0.5308000
  1 1 1     -22  -22    4 o    8.239000      0.2780000       8.179000 0.3844000       8.300000      0.4017000     -0.1212000      0.5560000
  1 1 1     -22  -22    5 o    12.51000      0.2629000       12.17000 0.3663000       12.86000      0.3772000     -0.6881000      0.5258000
  1 1 1     -22  -22    6 f    8.868000      0.2810000       8.504000 0.3943000       9.233000      0.4005000     -0.7293000      0.5621000
  1 1 1     -22  -22    7 o    12.43000      0.2714000       12.32000 0.3884000       12.54000      0.3791000     -0.2171000      0.5428000
  1 1 1     -22  -22    8 o    9.808000      0.2896000       9.910000 0.4036000       9.705000      0.4154000      0.2045000      0.5792000
  1 1 1     -22  -22    9 o    9.858000      0.2873000       9.704000 0.4052000       10.01000      0.4074000     -0.3070000      0.5746000
  1 1 1     -22  -22   10 o    2.886000      0.6202000       2.893000 0.8688000       2.879000      0.8854000      0.1358000E-01   1.240000
  1 1 1     -22  -22   11 o    3.003000      0.7825000       2.949000 1.139000       3.058000       1.074000     -0.1099000       1.565000
  1 1 1     -22  -22   12 o    5.737000      0.7141000       4.552000 1.217000       6.921000      0.7465000      -2.369000       1.428000
  1 1 1     -22  -22   13 o    3.934000      0.6006000       3.517000 0.8683000       4.352000      0.8302000     -0.8354000       1.201000
  1 1 1     -22  -22   14 o    7.753000      0.3582000       7.799000 0.4865000       7.708000      0.5259000      0.9085000E-01  0.7164000
  1 1 1     -22  -22   15 o    13.69000      0.4249000       13.43000 0.5696000       13.96000      0.6307000     -0.5305000      0.8498000
  1 1 1     -22  -22   16 o    5.726000      0.6488000       5.277000 0.8919000       6.174000      0.9425000     -0.8971000       1.298000
  1 1 1     -22  -22   17 o    6.152000      0.4486000       6.426000 0.5776000       5.878000      0.6867000      0.5482000      0.8973000
  1 1 1     -22  -22   18 o    6.581000      0.4521000       6.115000 0.6619000       7.047000      0.6160000     -0.9323000      0.9042000
  1 1 1     -22  -22   19 o    1.838000      0.5970000       1.878000 0.8539000       1.798000      0.8344000      0.8059000E-01   1.194000
  1 1 1     -22  -22   20 o    3.687000      0.6999000       4.237000 0.8963000       3.137000       1.075000       1.101000       1.400000
  1 1 1     -22  -22   21 o    4.388000      0.6671000       4.716000 0.8602000       4.061000       1.020000      0.6557000       1.334000
  1 1 1     -22  -22   22 o    4.570000      0.6778000       3.775000 1.045000       5.364000      0.8634000      -1.589000       1.356000
  1 1 1     -22  -22   23 o    2.486000      0.6992000       2.112000 0.9387000       2.859000       1.037000     -0.7466000       1.398000
  1 1 1     -22  -22   24 o    3.365000      0.6676000       2.317000 0.9752000       4.412000      0.9119000      -2.095000       1.335000
  1 1 1     -22  -22   25 o    2.194000      0.6649000       2.155000 0.9330000       2.234000      0.9476000     -0.7959000E-01   1.330000
  1 1 1     -22  -22   26 o    3.812000      0.7073000       4.295000 0.9158000       3.330000       1.078000      0.9648000       1.415000
  1 1 1     -22  -22   27 o    2.054000      0.6285000       2.412000 0.9621000       1.696000      0.8090000      0.7157000       1.257000
  1 1 1     -22  -21    1 o    3.415000      0.5130000       2.501000 0.8095000       4.330000      0.6304000      -1.829000       1.026000
  1 1 1     -22  -21    2 o    2.379000      0.5539000       1.913000 0.7565000       2.845000      0.8092000     -0.9321000       1.108000
  1 1 1     -22  -21    3 o    2.009000      0.5602000       1.755000 0.7290000       2.264000      0.8507000     -0.5086000       1.120000
  1 1 1     -22  -21    4 o    9.601000      0.2703000       9.477000 0.3661000       9.725000      0.3978000     -0.2476000      0.5406000
  1 1 1     -22  -21    5 o    11.95000      0.2670000       11.89000 0.3678000       12.00000      0.3873000     -0.1100000      0.5341000
  1 1 1     -22  -21    6 o    7.836000      0.3149000       8.443000 0.4045000       7.230000      0.4828000       1.213000      0.6298000
  1 1 1     -22  -21    7 o    8.518000      0.2805000       8.308000 0.3962000       8.728000      0.3972000     -0.4202000      0.5610000
  1 1 1     -22  -21    8 o    5.258000      0.3954000       5.718000 0.5261000       4.799000      0.5903000      0.9188000      0.7907000
  1 1 1     -22  -21    9 o    9.703000      0.2869000       9.351000 0.4020000       10.05000      0.4095000     -0.7030000      0.5738000
  1 1 1     -22  -21   10 o    6.249000      0.3593000       6.427000 0.4765000       6.071000      0.5377000      0.3563000      0.7185000
  1 1 1     -22  -21   11 o    7.697000      0.3393000       7.669000 0.4785000       7.725000      0.4812000     -0.5637000E-01  0.6786000
  1 1 1     -22  -21   12 o    6.630000      0.5271000       6.301000 0.9439000       6.959000      0.4694000     -0.6573000       1.054000
  1 1 1     -22  -21   13 o    16.52000      0.4394000       16.50000 0.6384000       16.54000      0.6039000     -0.4065000E-01  0.8788000
  1 1 1     -22  -21   14 f    8.867000      0.3358000       8.628000 0.4716000       9.107000      0.4781000     -0.4789000      0.6716000
  1 1 1     -22  -21   15 o    4.650000      0.5478000       4.605000 0.7936000       4.696000      0.7554000     -0.9135000E-01   1.096000
  1 1 1     -22  -21   16 o    8.941000      0.4698000       9.234000 0.6016000       8.649000      0.7217000      0.5849000      0.9396000
  1 1 1     -22  -21   17 o    3.588000      0.8247000       3.828000 1.098000       3.348000       1.231000      0.4801000       1.649000
  1 1 1     -22  -21   18 f    4.154000      0.6224000       3.256000 0.9682000       5.051000      0.7822000      -1.795000       1.245000
  1 1 1     -22  -21   19 o    3.381000      0.7218000       3.601000 0.9965000       3.161000       1.044000      0.4405000       1.444000
  1 1 1     -22  -21   20 o    3.604000      0.6836000       2.842000 1.015000       4.365000      0.9160000      -1.522000       1.367000
  1 1 1     -22  -21   21 o    8.831000      0.3942000       8.888000 0.5216000       8.774000      0.5912000      0.1146000      0.7884000
  1 1 1     -22  -21   22 o    4.861000      0.5980000       4.806000 0.7759000       4.916000      0.9101000     -0.1104000       1.196000
  1 1 1     -22  -21   23 o    3.257000      0.7418000       3.421000 1.010000       3.093000       1.087000      0.3283000       1.484000
  1 1 1     -22  -21   24 o    5.098000      0.5867000       5.252000 0.8187000       4.945000      0.8406000      0.3069000       1.173000
  1 1 1     -22  -21   25 o    4.836000      0.6378000       5.625000 0.7865000       4.047000       1.004000       1.578000       1.276000
  1 1 1     -22  -21   26 o    2.302000      0.6877000       2.065000 0.9089000       2.538000       1.032000     -0.4723000       1.375000
  1 1 1     -22  -21   27 f    2.552000      0.6820000       3.065000 1.013000       2.038000      0.9136000       1.028000       1.364000
  1 1 1     -22  -20    1 o    2.637000      0.5745000       2.626000 0.7691000       2.649000      0.8535000     -0.2235000E-01   1.149000
  1 1 1     -22  -20    2 o    4.576000      0.3988000       4.502000 0.5345000       4.650000      0.5920000     -0.1477000      0.7976000
  1 1 1     -22  -20    3 o    7.170000      0.2808000       7.208000 0.3906000       7.132000      0.4034000      0.7568000E-01  0.5615000
  1 1 1     -22  -20    4 o    4.008000      0.4629000       3.949000 0.6694000       4.067000      0.6397000     -0.1182000      0.9259000
  1 1 1     -22  -20    5 o    8.331000      0.2790000       8.247000 0.3833000       8.415000      0.4055000     -0.1676000      0.5580000
  1 1 1     -22  -20    6 o    18.77000      0.3061000       19.42000 0.4400000       18.13000      0.4258000       1.290000      0.6123000
  1 1 1     -22  -20    7 o    7.706000      0.3097000       7.376000 0.4394000       8.036000      0.4366000     -0.6602000      0.6195000
  1 1 1     -22  -20    8 o    10.38000      0.2722000       10.11000 0.3830000       10.65000      0.3868000     -0.5389000      0.5443000
  1 1 1     -22  -20    9 o    16.51000      0.2898000       16.57000 0.4102000       16.45000      0.4095000      0.1128000      0.5796000
  1 1 1     -22  -20   10 o    2.109000      0.6106000       2.101000 0.8527000       2.117000      0.8741000     -0.1592000E-01   1.221000
  1 1 1     -22  -20   11 o    7.140000      0.3362000       7.558000 0.4605000       6.722000      0.4899000      0.8358000      0.6723000
  1 1 1     -22  -20   12 o    9.165000      0.2962000       8.934000 0.4122000       9.395000      0.4254000     -0.4612000      0.5924000
  1 1 1     -22  -20   13 o    6.798000      0.3683000       6.829000 0.4673000       6.767000      0.5695000      0.6189000E-01  0.7367000
  1 1 1     -22  -20   14 o    8.031000      0.4944000       8.848000 0.7287000       7.214000      0.6684000       1.633000      0.9888000
  1 1 1     -22  -20   15 o    3.999000      0.5884000       4.070000 0.7932000       3.927000      0.8694000      0.1428000       1.177000
  1 1 1     -22  -20   16 o    6.082000      0.4290000       6.636000 0.5574000       5.528000      0.6522000       1.109000      0.8579000
  1 1 1     -22  -20   17 o    3.418000      0.7328000       2.208000 0.9654000       4.628000       1.103000      -2.419000       1.466000
  1 1 1     -22  -20   18 o    2.421000      0.7461000       2.246000 0.9813000       2.596000       1.124000     -0.3495000       1.492000
  1 1 1     -22  -20   19 o    6.698000      0.4266000       7.071000 0.5496000       6.325000      0.6525000      0.7461000      0.8531000
  1 1 1     -22  -20   20 f    4.069000      0.6905000       3.547000 1.019000       4.590000      0.9323000      -1.043000       1.381000
  1 1 1     -22  -20   21 o    7.480000      0.4148000       6.782000 0.5979000       8.179000      0.5750000      -1.397000      0.8295000
  1 1 1     -22  -20   22 o    5.846000      0.5153000       6.111000 0.6261000       5.581000      0.8187000      0.5306000       1.031000
  1 1 1     -22  -20   23 o    2.413000      0.6891000       2.759000 1.011000       2.068000      0.9368000      0.6905000       1.378000
  1 1 1     -22  -20   24 o    3.298000      0.7532000       2.942000 1.072000       3.654000       1.059000     -0.7119000       1.506000
  1 1 1     -22  -20   25 o    3.450000      0.6010000       5.090000 0.8541000       1.811000      0.8456000       3.279000       1.202000
  1 1 1     -22  -20   26 o    2.673000      0.7298000       2.818000 1.025000       2.529000       1.039000      0.2883000       1.460000
  1 1 1     -22  -20   27 o    2.752000      0.7291000       2.819000 1.017000       2.684000       1.045000      0.1347000       1.458000
  1 1 1     -22  -20   28 o    3.689000      0.7704000       3.791000 1.003000       3.587000       1.170000      0.2033000       1.541000
  1 1 1     -22  -19    1 f    2.289000      0.8436000                  ?       ?   2.289000      0.8436000                  ?              ?
  1 1 1     -22  -19    2 o    2.234000      0.5332000       1.564000 0.7045000       2.904000      0.8007000      -1.340000       1.066000
  1 1 1     -22  -19    3 f    9.239000      0.2631000       9.175000 0.3625000       9.303000      0.3813000     -0.1281000      0.5262000
  1 1 1     -22  -19    4 o    9.957000      0.2602000       9.978000 0.3649000       9.936000      0.3710000      0.4189000E-01  0.5203000
  1 1 1     -22  -19    5 o    4.867000      0.3938000       4.798000 0.5376000       4.937000      0.5755000     -0.1391000      0.7876000
  1 1 1     -22  -19    6 o    8.485000      0.2840000       8.217000 0.3939000       8.753000      0.4092000     -0.5356000      0.5680000
  1 1 1     -22  -19    7 o    2.796000      0.5905000       2.716000 0.8249000       2.876000      0.8451000     -0.1601000       1.181000
  1 1 1     -22  -19    8 o    8.116000      0.2894000       8.193000 0.4121000       8.038000      0.4065000      0.1549000      0.5788000
  1 1 1     -22  -19    9 o    10.55000      0.2733000       10.76000 0.3695000       10.33000      0.4027000      0.4333000      0.5466000
  1 1 1     -22  -19   10 o    4.816000      0.4394000       4.382000 0.6464000       5.249000      0.5953000     -0.8674000      0.8787000
  1 1 1     -22  -19   11 o    6.889000      0.3419000       6.970000 0.4533000       6.808000      0.5118000      0.1619000      0.6837000
  1 1 1     -22  -19   12 o    6.712000      0.3565000       6.847000 0.4780000       6.577000      0.5291000      0.2699000      0.7131000
  1 1 1     -22  -19   13 o    14.05000      0.2915000       14.36000 0.4095000       13.74000      0.4149000      0.6180000      0.5829000
  1 1 1     -22  -19   14 o    15.00000      0.4284000       14.27000 0.6247000       15.73000      0.5864000      -1.461000      0.8568000
  1 1 1     -22  -19   15 o    7.142000      0.5305000       6.544000 0.8112000       7.741000      0.6839000      -1.197000       1.061000
  1 1 1     -22  -19   16 o    2.911000      0.6309000       2.296000 0.8985000       3.525000      0.8859000      -1.229000       1.262000
  1 1 1     -22  -19   17 o    8.265000      0.3442000       8.308000 0.4557000       8.222000      0.5160000      0.8570000E-01  0.6884000
  1 1 1     -22  -19   18 o    7.884000      0.4950000       7.482000 0.6776000       8.285000      0.7217000     -0.8034000      0.9899000
  1 1 1     -22  -19   19 o    8.163000      0.3920000       7.755000 0.5685000       8.572000      0.5398000     -0.8170000      0.7839000
  1 1 1     -22  -19   20 o    5.691000      0.5030000       5.453000 0.7354000       5.930000      0.6864000     -0.4769000       1.006000
  1 1 1     -22  -19   21 o    6.030000      0.5008000       6.052000 0.6729000       6.009000      0.7418000      0.4325000E-01   1.002000
  1 1 1     -22  -19   22 o    6.576000      0.4634000       6.865000 0.5923000       6.287000      0.7128000      0.5777000      0.9268000
  1 1 1     -22  -19   23 o    2.822000      0.7416000       2.823000 1.025000       2.822000       1.072000      0.1478000E-02   1.483000
  1 1 1     -22  -19   24 o    2.976000      0.6522000       4.083000 0.9728000       1.868000      0.8691000       2.215000       1.304000
  1 1 1     -22  -19   25 o    3.028000      0.6752000       2.116000 0.9333000       3.940000      0.9760000      -1.824000       1.350000
  1 1 1     -22  -19   26 o    2.239000      0.6718000       2.182000 0.9435000       2.296000      0.9565000     -0.1142000       1.344000
  1 1 1     -22  -19   27 f    3.385000      0.7092000       2.445000 0.9879000       4.324000       1.018000      -1.879000       1.418000
  1 1 1     -22  -19   28 o    2.551000      0.9976000       2.551000 0.9976000                  ?              ?              ?              ?
  1 1 1     -22  -18    1 o    2.478000      0.8238000                  ?       ?   2.478000      0.8238000                  ?              ?
  1 1 1     -22  -18    2 o    6.484000      0.2999000       6.557000 0.4130000       6.410000      0.4348000      0.1466000      0.5997000
  1 1 1     -22  -18    3 o    4.651000      0.3924000       4.901000 0.5095000       4.402000      0.5968000      0.4991000      0.7847000
  1 1 1     -22  -18    4 f    6.822000      0.3118000       6.747000 0.4263000       6.896000      0.4553000     -0.1486000      0.6237000
  1 1 1     -22  -18    5 o    5.705000      0.3623000       5.534000 0.5027000       5.876000      0.5217000     -0.3424000      0.7245000
  1 1 1     -22  -18    6 o    6.921000      0.3057000       6.999000 0.4156000       6.843000      0.4483000      0.1561000      0.6113000
  1 1 1     -22  -18    7 o    2.490000      0.5790000       2.810000 0.8037000       2.171000      0.8336000      0.6393000       1.158000
  1 1 1     -22  -18    8 o    2.094000      0.5805000       1.683000 0.7444000       2.506000      0.8908000     -0.8230000       1.161000
  1 1 1     -22  -18    9 o    7.568000      0.2945000       7.548000 0.4133000       7.588000      0.4195000     -0.4017000E-01  0.5889000
  1 1 1     -22  -18   10 o    5.667000      0.3794000       5.901000 0.4928000       5.432000      0.5769000      0.4684000      0.7588000
  1 1 1     -22  -18   11 o    4.965000      0.4460000       5.298000 0.5711000       4.633000      0.6853000      0.6653000      0.8920000
  1 1 1     -22  -18   12 f    12.49000      0.2770000       12.45000 0.3929000       12.53000      0.3905000     -0.7449000E-01  0.5539000
  1 1 1     -22  -18   13 o    22.98000      0.3568000       23.51000 0.5113000       22.44000      0.4979000       1.072000      0.7137000
  1 1 1     -22  -18   14 o    15.38000      0.2970000       15.58000 0.4204000       15.18000      0.4196000      0.4002000      0.5940000
  1 1 1     -22  -18   15 o    8.950000      0.4727000       9.158000 0.6942000       8.741000      0.6417000      0.4168000      0.9453000
  1 1 1     -22  -18   16 o    2.477000      0.7194000       2.130000 0.9800000       2.823000       1.053000     -0.6929000       1.439000
  1 1 1     -22  -18   17 o    3.232000      0.6523000       2.403000 0.9301000       4.061000      0.9150000      -1.658000       1.305000
  1 1 1     -22  -18   18 o    4.434000      0.5510000       5.066000 0.6916000       3.802000      0.8580000       1.264000       1.102000
  1 1 1     -22  -18   19 o    2.728000      0.7791000       2.568000 1.050000       2.888000       1.151000     -0.3205000       1.558000
  1 1 1     -22  -18   20 o    3.512000      0.7004000       2.994000 1.013000       4.031000      0.9675000      -1.037000       1.401000
  1 1 1     -22  -18   21 o    2.734000      0.6690000       1.942000 0.8666000       3.526000       1.019000      -1.584000       1.338000
  1 1 1     -22  -18   22 o    8.287000      0.3998000       8.543000 0.5354000       8.030000      0.5938000      0.5131000      0.7995000
  1 1 1     -22  -18   23 o    2.341000      0.6956000       2.226000 0.9430000       2.455000       1.023000     -0.2292000       1.391000
  1 1 1     -22  -18   24 o    4.363000      0.6572000       4.614000 0.8654000       4.112000      0.9892000      0.5023000       1.314000
  1 1 1     -22  -18   25 o    3.141000      0.7425000       2.725000 1.044000       3.558000       1.056000     -0.8333000       1.485000
  1 1 1     -22  -18   26 o    2.586000      0.7018000       2.414000 0.9817000       2.757000       1.003000     -0.3434000       1.404000
  1 1 1     -22  -18   27 o    2.735000      0.6861000       3.310000 0.9989000       2.159000      0.9409000       1.151000       1.372000
  1 1 1     -22  -18   28 o    3.016000      0.7167000       2.930000 1.024000       3.101000       1.003000     -0.1707000       1.433000
  1 1 1     -22  -18   29 o    5.339000      0.5508000       5.968000 0.6695000       4.711000      0.8749000       1.257000       1.102000
  1 1 1     -22  -17    1 f    13.68000      0.3611000       14.13000 0.4963000       13.24000      0.5246000      0.8891000      0.7221000
  1 1 1     -22  -17    2 o    1.934000      0.5499000       2.052000 0.7917000       1.816000      0.7635000      0.2358000       1.100000
  1 1 1     -22  -17    3 o    14.87000      0.2666000       15.10000 0.3795000       14.64000      0.3746000      0.4612000      0.5332000
  1 1 1     -22  -17    4 o    9.346000      0.2620000       9.243000 0.3761000       9.449000      0.3650000     -0.2060000      0.5241000
  1 1 1     -22  -17    5 o    9.173000      0.2693000       9.001000 0.3772000       9.345000      0.3844000     -0.3436000      0.5386000
  1 1 1     -22  -17    6 o    8.046000      0.2810000       8.303000 0.3647000       7.790000      0.4275000      0.5124000      0.5620000
  1 1 1     -22  -17    7 o    12.23000      0.2668000       12.58000 0.3754000       11.87000      0.3794000      0.7140000      0.5337000
  1 1 1     -22  -17    8 f    11.30000      0.2678000       10.96000 0.3777000       11.64000      0.3798000     -0.6783000      0.5356000
  1 1 1     -22  -17    9 o    3.514000      0.5311000       2.989000 0.8092000       4.040000      0.6881000      -1.051000       1.062000
  1 1 1     -22  -17   10 o    4.715000      0.4310000       4.178000 0.6415000       5.251000      0.5757000      -1.073000      0.8620000
  1 1 1     -22  -17   11 o    8.326000      0.2988000       8.420000 0.4043000       8.232000      0.4402000      0.1877000      0.5976000
  1 1 1     -22  -17   12 o    6.326000      0.3699000       6.838000 0.4907000       5.814000      0.5535000       1.024000      0.7397000
  1 1 1     -22  -17   13 o    7.542000      0.3230000       7.614000 0.4456000       7.470000      0.4677000      0.1442000      0.6460000
  1 1 1     -22  -17   14 o    9.814000      0.3008000       10.04000 0.4191000       9.592000      0.4316000      0.4452000      0.6016000
  1 1 1     -22  -17   15 o    9.281000      0.3036000       9.361000 0.4228000       9.201000      0.4357000      0.1602000      0.6071000
  1 1 1     -22  -17   16 f    4.926000      0.6920000       3.337000 1.182000       6.516000      0.7198000      -3.178000       1.384000
  1 1 1     -22  -17   17 o    7.142000      0.3763000       6.924000 0.5295000       7.361000      0.5348000     -0.4376000      0.7525000
  1 1 1     -22  -17   18 o    3.813000      0.6342000       4.014000 0.8064000       3.612000      0.9789000      0.4026000       1.268000
  1 1 1     -22  -17   19 o    5.127000      0.7281000       5.538000 0.8638000       4.717000       1.172000      0.8209000       1.456000
  1 1 1     -22  -17   20 o    6.467000      0.6466000       6.694000 0.7993000       6.239000       1.017000      0.4547000       1.293000
  1 1 1     -22  -17   21 o    2.362000      0.6843000       2.262000 0.9378000       2.463000      0.9968000     -0.2009000       1.369000
  1 1 1     -22  -17   22 o    2.179000      0.6621000       2.109000 0.9103000       2.248000      0.9617000     -0.1391000       1.324000
  1 1 1     -22  -17   23 o    3.796000      0.7092000       4.283000 0.9087000       3.309000       1.089000      0.9743000       1.418000
  1 1 1     -22  -17   24 o    3.910000      0.6555000       2.701000 1.005000       5.118000      0.8422000      -2.417000       1.311000
  1 1 1     -22  -17   25 o    3.595000      0.6604000       2.463000 0.9847000       4.727000      0.8802000      -2.263000       1.321000
  1 1 1     -22  -17   26 o    1.861000      0.6030000       1.638000 0.7857000       2.083000      0.9150000     -0.4450000       1.206000
  1 1 1     -22  -17   27 o    2.146000      0.6433000       1.784000 0.8321000       2.508000      0.9813000     -0.7236000       1.287000
  1 1 1     -22  -17   28 o    2.625000      0.6961000       2.071000 0.8991000       3.179000       1.063000      -1.108000       1.392000
  1 1 1     -22  -17   29 o    4.152000      0.6376000       4.293000 0.8759000       4.012000      0.9269000      0.2811000       1.275000
  1 1 1     -22  -16    1 o    10.43000      0.3414000       10.51000 0.4564000       10.34000      0.5078000      0.1702000      0.6827000
  1 1 1     -22  -16    2 o    12.70000      0.3496000       12.32000 0.4779000       13.09000      0.5103000     -0.7704000      0.6992000
  1 1 1     -22  -16    3 o    15.86000      0.2735000       15.72000 0.3855000       15.99000      0.3881000     -0.2767000      0.5470000
  1 1 1     -22  -16    4 o    7.884000      0.2666000       8.176000 0.3723000       7.593000      0.3819000      0.5836000      0.5333000
  1 1 1     -22  -16    5 o    3.493000      0.4933000       4.161000 0.5949000       2.824000      0.7872000       1.337000      0.9867000
  1 1 1     -22  -16    6 o    5.996000      0.3335000       6.002000 0.4473000       5.990000      0.4947000      0.1229000E-01  0.6670000
  1 1 1     -22  -16    7 o    9.035000      0.2764000       8.928000 0.3861000       9.143000      0.3957000     -0.2149000      0.5529000
  1 1 1     -22  -16    8 o    6.280000      0.3341000       6.477000 0.4458000       6.082000      0.4978000      0.3952000      0.6683000
  1 1 1     -22  -16    9 o    4.203000      0.4760000       4.542000 0.6023000       3.864000      0.7373000      0.6773000      0.9520000
  1 1 1     -22  -16   10 o    5.335000      0.3811000       5.571000 0.4922000       5.099000      0.5819000      0.4726000      0.7622000
  1 1 1     -22  -16   11 o    9.394000      0.2853000       9.333000 0.4009000       9.455000      0.4061000     -0.1223000      0.5707000
  1 1 1     -22  -16   12 o    5.953000      0.3715000       6.178000 0.4908000       5.728000      0.5578000      0.4496000      0.7430000
  1 1 1     -22  -16   13 o    9.226000      0.2952000       9.348000 0.4106000       9.103000      0.4243000      0.2449000      0.5904000
  1 1 1     -22  -16   14 o    8.520000      0.3120000       8.718000 0.4256000       8.322000      0.4563000      0.3967000      0.6240000
  1 1 1     -22  -16   15 o    13.79000      0.2897000       13.77000 0.4026000       13.82000      0.4168000     -0.4446000E-01  0.5795000
  1 1 1     -22  -16   16 o    9.776000      0.3976000       9.511000 0.6779000       10.04000      0.4158000     -0.5305000      0.7952000
  1 1 1     -22  -16   17 o    10.15000      0.4454000       10.03000 0.6532000       10.27000      0.6057000     -0.2443000      0.8908000
  1 1 1     -22  -16   18 o    3.205000      0.6618000       2.380000 0.9277000       4.030000      0.9439000      -1.650000       1.324000
  1 1 1     -22  -16   19 o    2.556000      0.6681000       2.071000 0.8821000       3.041000       1.004000     -0.9704000       1.336000
  1 1 1     -22  -16   20 o    14.40000      0.4385000       14.19000 0.5956000       14.60000      0.6439000     -0.4182000      0.8771000
  1 1 1     -22  -16   21 o    5.378000      0.5062000       4.880000 0.7480000       5.876000      0.6822000     -0.9966000       1.012000
  1 1 1     -22  -16   22 o    3.808000      0.6836000       3.453000 0.9903000       4.163000      0.9426000     -0.7099000       1.367000
  1 1 1     -22  -16   23 o    3.639000      0.7101000       3.525000 0.9902000       3.753000       1.018000     -0.2283000       1.420000
  1 1 1     -22  -16   24 o    3.347000      0.7317000       3.513000 1.009000       3.181000       1.060000      0.3317000       1.463000
  1 1 1     -22  -16   25 o    2.662000      0.7011000       2.228000 0.9421000       3.096000       1.039000     -0.8680000       1.402000
  1 1 1     -22  -16   26 o    4.948000      0.5801000       4.738000 0.8387000       5.159000      0.8016000     -0.4217000       1.160000
  1 1 1     -22  -16   27 o    3.765000      0.6969000       3.354000 1.033000       4.177000      0.9361000     -0.8233000       1.394000
  1 1 1     -22  -16   28 o    3.006000      0.7108000       3.212000 0.9899000       2.800000       1.020000      0.4117000       1.422000
  1 1 1     -22  -16   29 o    2.858000      0.6222000       3.893000 0.9179000       1.824000      0.8402000       2.069000       1.244000
  1 1 1     -22  -15    1 o    7.102000      0.2780000       7.384000 0.3787000       6.819000      0.4072000      0.5646000      0.5561000
  1 1 1     -22  -15    2 o    11.43000      0.3405000       11.48000 0.4525000       11.38000      0.5089000      0.1030000      0.6810000
  1 1 1     -22  -15    3 o    4.393000      0.5457000       5.107000 0.6575000       3.679000      0.8712000       1.428000       1.091000
  1 1 1     -22  -15    4 o    8.565000      0.2608000       8.374000 0.3669000       8.756000      0.3706000     -0.3818000      0.5215000
  1 1 1     -22  -15    5 o    9.526000      0.2550000       9.510000 0.3621000       9.543000      0.3592000     -0.3349000E-01  0.5100000
  1 1 1     -22  -15    6 o    4.196000      0.4224000       4.381000 0.5658000       4.011000      0.6274000      0.3699000      0.8448000
  1 1 1     -22  -15    7 o    5.589000      0.3581000       5.591000 0.4908000       5.586000      0.5216000      0.5607000E-02  0.7162000
  1 1 1     -22  -15    8 o    1.764000      0.5391000       1.556000 0.7068000       1.973000      0.8143000     -0.4169000       1.078000
  1 1 1     -22  -15    9 o    5.272000      0.3875000       5.568000 0.5137000       4.976000      0.5802000      0.5920000      0.7749000
  1 1 1     -22  -15   10 o    6.806000      0.3238000       6.872000 0.4409000       6.740000      0.4742000      0.1314000      0.6475000
  1 1 1     -22  -15   11 o    8.630000      0.2934000       9.216000 0.3990000       8.044000      0.4303000       1.172000      0.5868000
  1 1 1     -22  -15   12 o    4.589000      0.4560000       4.595000 0.6358000       4.582000      0.6539000      0.1252000E-01  0.9121000
  1 1 1     -22  -15   13 o    16.94000      0.2987000       16.95000 0.4234000       16.92000      0.4213000      0.2893000E-01  0.5973000
  1 1 1     -22  -15   14 o    2.990000      0.5638000       2.101000 0.8288000       3.878000      0.7646000      -1.777000       1.128000
  1 1 1     -22  -15   15 o    10.41000      0.2960000       10.03000 0.4246000       10.78000      0.4124000     -0.7547000      0.5919000
  1 1 1     -22  -15   16 o    10.17000      0.3021000       10.38000 0.4240000       9.967000      0.4304000      0.4133000      0.6042000
  1 1 1     -22  -15   17 o    7.021000      0.5263000       7.569000 0.7249000       6.474000      0.7631000       1.096000       1.053000
  1 1 1     -22  -15   18 o    3.103000      0.6532000       3.386000 0.9032000       2.821000      0.9440000      0.5644000       1.306000
  1 1 1     -22  -15   19 o    5.530000      0.4729000       5.694000 0.6056000       5.366000      0.7264000      0.3280000      0.9457000
  1 1 1     -22  -15   20 o    11.46000      0.4330000       11.02000 0.5920000       11.91000      0.6321000     -0.8876000      0.8660000
  1 1 1     -22  -15   21 o    5.247000      0.4959000       4.695000 0.7498000       5.799000      0.6493000      -1.104000      0.9919000
  1 1 1     -22  -15   22 o    7.151000      0.4076000       6.510000 0.6099000       7.791000      0.5408000      -1.281000      0.8152000
  1 1 1     -22  -15   23 o    3.155000      0.7273000       3.192000 1.009000       3.117000       1.048000      0.7477000E-01   1.455000
  1 1 1     -22  -15   24 o    2.264000      0.6773000       2.297000 0.9518000       2.232000      0.9638000      0.6477000E-01   1.355000
  1 1 1     -22  -15   25 o    2.941000      0.6449000       1.871000 0.8566000       4.011000      0.9642000      -2.140000       1.290000
  1 1 1     -22  -15   26 o    4.426000      0.6400000       3.991000 0.9729000       4.862000      0.8318000     -0.8710000       1.280000
  1 1 1     -22  -15   27 o    2.368000      0.6418000       3.132000 1.026000       1.603000      0.7718000       1.529000       1.284000
  1 1 1     -22  -15   28 o    3.743000      0.6938000       3.137000 1.028000       4.349000      0.9315000      -1.212000       1.388000
  1 1 1     -22  -15   29 o    3.065000       1.042000       3.065000 1.042000                  ?              ?              ?              ?
  1 1 1     -22  -15   30 o    2.819000      0.7837000       3.250000 1.231000       2.388000      0.9700000      0.8620000       1.567000
  1 1 1     -22  -14    1 o    13.09000      0.2522000       13.39000 0.3593000       12.80000      0.3539000      0.5959000      0.5043000
  1 1 1     -22  -14    2 o    8.761000      0.3705000                  ?       ?   8.761000      0.3705000                  ?              ?
  1 1 1     -22  -14    3 o    4.917000      0.5058000       5.274000 0.6278000       4.559000      0.7932000      0.7149000       1.012000
  1 1 1     -22  -14    4 o    2.547000      0.5548000       2.191000 0.7991000       2.903000      0.7697000     -0.7111000       1.110000
  1 1 1     -22  -14    5 o    3.038000      0.5412000       3.004000 0.7723000       3.073000      0.7585000     -0.6944000E-01   1.082000
  1 1 1     -22  -14    6 o    6.059000      0.3088000       6.399000 0.4152000       5.720000      0.4573000      0.6791000      0.6176000
  1 1 1     -22  -14    7 o    6.498000      0.3038000       6.527000 0.4106000       6.469000      0.4479000      0.5802000E-01  0.6077000
  1 1 1     -22  -14    8 o    1.790000      0.5238000       1.231000 0.5962000       2.349000      0.8613000      -1.118000       1.048000
  1 1 1     -22  -14    9 o    6.639000      0.3175000       6.616000 0.4569000       6.662000      0.4409000     -0.4615000E-01  0.6349000
  1 1 1     -22  -14   10 o    8.139000      0.2886000       7.956000 0.4059000       8.322000      0.4105000     -0.3657000      0.5773000
  1 1 1     -22  -14   11 o    5.644000      0.3723000       5.731000 0.5141000       5.557000      0.5388000      0.1743000      0.7447000
  1 1 1     -22  -14   12 o    8.057000      0.2913000       8.314000 0.4104000       7.800000      0.4135000      0.5136000      0.5826000
  1 1 1     -22  -14   13 o    6.705000      0.3371000       6.303000 0.4973000       7.108000      0.4551000     -0.8058000      0.6741000
  1 1 1     -22  -14   14 o    8.904000      0.2987000       8.975000 0.4195000       8.834000      0.4253000      0.1404000      0.5974000
  1 1 1     -22  -14   15 o    5.770000      0.3953000       5.394000 0.5667000       6.145000      0.5513000     -0.7511000      0.7907000
  1 1 1     -22  -14   16 o    11.93000      0.2841000       11.56000 0.4050000       12.30000      0.3985000     -0.7381000      0.5682000
  1 1 1     -22  -14   17 o    8.611000      0.4456000       8.939000 0.6334000       8.283000      0.6270000      0.6557000      0.8913000
  1 1 1     -22  -14   18 o    7.864000      0.4860000       7.137000 0.7467000       8.591000      0.6223000      -1.454000      0.9720000
  1 1 1     -22  -14   19 o    13.70000      0.3055000       13.34000 0.4240000       14.06000      0.4400000     -0.7204000      0.6111000
  1 1 1     -22  -14   20 o    5.196000      0.7253000       5.513000 0.8882000       4.878000       1.147000      0.6352000       1.451000
  1 1 1     -22  -14   21 o    3.856000      0.8304000       3.713000 1.142000       3.999000       1.206000     -0.2866000       1.661000
  1 1 1     -22  -14   22 o    6.063000      0.4628000       5.820000 0.6778000       6.305000      0.6303000     -0.4851000      0.9255000
  1 1 1     -22  -14   23 o    4.759000      0.6169000       5.371000 0.7414000       4.148000      0.9862000       1.223000       1.234000
  1 1 1     -22  -14   24 o    3.790000      0.7108000       3.527000 1.011000       4.053000      0.9989000     -0.5261000       1.422000
  1 1 1     -22  -14   25 o    2.319000      0.6708000       2.718000 1.015000       1.921000      0.8773000      0.7974000       1.342000
  1 1 1     -22  -14   26 o    2.585000      0.6991000       2.083000 0.9203000       3.086000       1.053000      -1.003000       1.398000
  1 1 1     -22  -14   27 o    4.268000      0.6595000       3.924000 0.9797000       4.613000      0.8832000     -0.6893000       1.319000
  1 1 1     -22  -14   28 o    2.730000      0.7019000       3.289000 1.034000       2.171000      0.9497000       1.118000       1.404000
  1 1 1     -22  -14   29 o    3.170000       1.026000       3.170000 1.026000                  ?              ?              ?              ?
  1 1 1     -22  -14   30 o    2.309000      0.6601000       2.562000 0.9732000       2.056000      0.8921000      0.5067000       1.320000
  1 1 1     -22  -13    1 o    7.964000      0.3891000       8.271000 0.5689000       7.658000      0.5309000      0.6133000      0.7782000
  1 1 1     -22  -13    2 o    9.340000      0.3509000                  ?       ?   9.340000      0.3509000                  ?              ?
  1 1 1     -22  -13    3 o    6.023000      0.4518000       7.049000 0.5192000       4.997000      0.7394000       2.052000      0.9035000
  1 1 1     -22  -13    4 o    6.820000      0.3849000       7.205000 0.5245000       6.436000      0.5635000      0.7685000      0.7698000
  1 1 1     -22  -13    5 o    5.758000      0.3232000       5.204000 0.4825000       6.313000      0.4303000      -1.109000      0.6465000
  1 1 1     -22  -13    6 o    3.508000      0.4997000       3.931000 0.6092000       3.084000      0.7922000      0.8468000      0.9994000
  1 1 1     -22  -13    7 o    9.798000      0.2570000       9.914000 0.3649000       9.682000      0.3620000      0.2320000      0.5140000
  1 1 1     -22  -13    8 o    11.64000      0.2622000       11.63000 0.3690000       11.64000      0.3726000     -0.6140000E-02  0.5244000
  1 1 1     -22  -13    9 o    13.61000      0.2710000       13.62000 0.3816000       13.60000      0.3849000      0.1429000E-01  0.5420000
  1 1 1     -22  -13   10 o    10.09000      0.2730000       9.995000 0.3794000       10.18000      0.3927000     -0.1830000      0.5461000
  1 1 1     -22  -13   11 o    4.216000      0.4769000       4.723000 0.5721000       3.709000      0.7631000       1.014000      0.9538000
  1 1 1     -22  -13   12 o    6.038000      0.3470000       5.998000 0.4935000       6.077000      0.4881000     -0.7977000E-01  0.6941000
  1 1 1     -22  -13   13 o    5.651000      0.3804000       5.954000 0.5016000       5.347000      0.5721000      0.6068000      0.7608000
  1 1 1     -22  -13   14 o    4.759000      0.4378000       4.437000 0.6403000       5.080000      0.5972000     -0.6438000      0.8755000
  1 1 1     -22  -13   15 o    4.933000      0.4635000       5.515000 0.5690000       4.352000      0.7318000       1.163000      0.9270000
  1 1 1     -22  -13   16 o    9.543000      0.2952000       9.824000 0.4114000       9.261000      0.4236000      0.5627000      0.5905000
  1 1 1     -22  -13   17 o    8.900000      0.3177000       8.916000 0.4489000       8.884000      0.4498000      0.3124000E-01  0.6355000
  1 1 1     -22  -13   18 o    11.10000      0.4229000       10.64000 0.6178000       11.56000      0.5777000     -0.9167000      0.8458000
  1 1 1     -22  -13   19 o    3.926000      0.6135000       3.607000 0.8940000       4.246000      0.8403000     -0.6389000       1.227000
  1 1 1     -22  -13   20 o    9.178000      0.3400000       8.817000 0.4793000       9.539000      0.4823000     -0.7217000      0.6800000
  1 1 1     -22  -13   21 o    3.056000      0.8071000       3.295000 1.133000       2.817000       1.150000      0.4778000       1.614000
  1 1 1     -22  -13   22 o    2.594000      0.6931000       2.551000 0.9677000       2.637000      0.9926000     -0.8629000E-01   1.386000
  1 1 1     -22  -13   23 f    6.163000      0.4744000       6.081000 0.6746000       6.246000      0.6672000     -0.1650000      0.9487000
  1 1 1     -22  -13   24 o    1.800000      0.5927000       1.938000 0.8792000       1.661000      0.7951000      0.2767000       1.185000
  1 1 1     -22  -13   25 o    3.894000      0.7059000       3.669000 1.042000       4.120000      0.9521000     -0.4511000       1.412000
  1 1 1     -22  -13   26 o    2.368000      0.6931000       2.127000 0.9375000       2.609000       1.021000     -0.4827000       1.386000
  1 1 1     -22  -13   27 o    5.494000      0.5510000       5.410000 0.8000000       5.578000      0.7579000     -0.1680000       1.102000
  1 1 1     -22  -13   28 o    2.644000      0.7065000       3.042000 1.041000       2.246000      0.9555000      0.7951000       1.413000
  1 1 1     -22  -13   29 o    3.449000      0.7198000       3.464000 1.006000       3.435000       1.030000      0.2933000E-01   1.440000
  1 1 1     -22  -13   30 o    2.269000      0.6423000       1.866000 0.8410000       2.672000      0.9709000     -0.8055000       1.285000
  1 1 1     -22  -12    1 o    9.402000      0.3560000       9.638000 0.5194000       9.167000      0.4871000      0.4710000      0.7121000
  1 1 1     -22  -12    2 o    1.640000      0.4862000       1.391000 0.6328000       1.889000      0.7384000     -0.4979000      0.9725000
  1 1 1     -22  -12    3 f    7.475000      0.2667000       8.062000 0.3576000       6.888000      0.3957000       1.174000      0.5334000
  1 1 1     -22  -12    5 o    5.423000      0.3363000       5.445000 0.4701000       5.402000      0.4811000      0.4325000E-01  0.6727000
  1 1 1     -22  -12    6 o    4.561000      0.3944000       4.016000 0.6042000       5.107000      0.5072000      -1.092000      0.7889000
  1 1 1     -22  -12    7 o    3.308000      0.5172000       2.972000 0.7810000       3.644000      0.6783000     -0.6723000       1.034000
  1 1 1     -22  -12    8 o    5.508000      0.3570000       5.480000 0.5051000       5.536000      0.5047000     -0.5542000E-01  0.7140000
  1 1 1     -22  -12    9 o    6.808000      0.3126000       6.905000 0.4323000       6.711000      0.4517000      0.1938000      0.6252000
  1 1 1     -22  -12   10 o    5.125000      0.3880000       4.858000 0.5497000       5.392000      0.5478000     -0.5341000      0.7760000
  1 1 1     -22  -12   11 o    11.22000      0.2671000       11.43000 0.3735000       11.00000      0.3818000      0.4314000      0.5341000
  1 1 1     -22  -12   12 o    11.42000      0.2727000       11.51000 0.3838000       11.33000      0.3876000      0.1854000      0.5455000
  1 1 1     -22  -12   13 o    15.02000      0.2822000       15.14000 0.3986000       14.91000      0.3995000      0.2265000      0.5644000
  1 1 1     -22  -12   14 o    8.923000      0.2905000       8.880000 0.4088000       8.967000      0.4130000     -0.8684000E-01  0.5811000
  1 1 1     -22  -12   15 o    9.636000      0.2949000       9.646000 0.4094000       9.627000      0.4245000      0.1873000E-01  0.5898000
  1 1 1     -22  -12   16 f    10.34000      0.2915000       10.47000 0.4034000       10.21000      0.4210000      0.2593000      0.5831000
  1 1 1     -22  -12   17 f    9.565000      0.3108000       9.231000 0.4392000       9.900000      0.4400000     -0.6685000      0.6217000
  1 1 1     -22  -12   18 o    10.31000      0.4500000       9.636000 0.6757000       10.98000      0.5944000      -1.348000      0.9000000
  1 1 1     -22  -12   19 o    2.293000      0.6343000       1.737000 0.7975000       2.850000      0.9866000      -1.114000       1.269000
  1 1 1     -22  -12   20 o    2.705000      0.6630000       3.236000 0.9609000       2.174000      0.9137000       1.062000       1.326000
  1 1 1     -22  -12   21 o    5.316000      0.7242000       4.522000 1.084000       6.111000      0.9603000      -1.589000       1.448000
  1 1 1     -22  -12   22 o    2.497000      0.6940000       2.612000 0.9887000       2.382000      0.9741000      0.2293000       1.388000
  1 1 1     -22  -12   23 o    5.598000      0.5318000       5.184000 0.7958000       6.013000      0.7056000     -0.8285000       1.064000
  1 1 1     -22  -12   24 o    3.207000      0.7047000       3.940000 0.9932000       2.473000       1.000000       1.467000       1.409000
  1 1 1     -22  -12   25 o    2.725000      0.7033000       2.270000 0.9504000       3.179000       1.037000     -0.9091000       1.407000
  1 1 1     -22  -12   26 o    2.626000      0.7062000       2.360000 0.9628000       2.892000       1.033000     -0.5316000       1.412000
  1 1 1     -22  -12   27 f    3.319000      0.6752000       2.445000 0.9913000       4.193000      0.9171000      -1.748000       1.350000
  1 1 1     -22  -12   28 o    2.982000      0.6664000       2.036000 0.8999000       3.928000      0.9832000      -1.893000       1.333000
  1 1 1     -22  -12   29 o    3.853000      0.6816000       3.614000 1.006000       4.092000      0.9202000     -0.4782000       1.363000
  1 1 1     -22  -12   30 o    2.073000      0.6138000       2.552000 0.9634000       1.593000      0.7608000      0.9593000       1.228000
  1 1 1     -22  -11    1 o    15.24000      0.3723000       15.59000 0.5316000       14.89000      0.5215000      0.6951000      0.7447000
  1 1 1     -22  -11    2 o    10.05000      0.2920000       9.835000 0.3223000       10.26000      0.4871000     -0.4251000      0.5841000
  1 1 1     -22  -11    3 o    10.78000      0.2462000       10.84000 0.3474000       10.71000      0.3489000      0.1334000      0.4924000
  1 1 1     -22  -11    4 f    8.323000      0.3549000       8.684000 0.4898000       7.962000      0.5136000      0.7223000      0.7097000
  1 1 1     -22  -11    5 o    4.249000      0.5663000       4.451000 0.7575000       4.047000      0.8420000      0.4047000       1.133000
  1 1 1     -22  -11    6 o    14.64000      0.2673000       14.88000 0.3771000       14.40000      0.3789000      0.4799000      0.5345000
  1 1 1     -22  -11    7 o    12.13000      0.2583000       12.25000 0.3627000       12.01000      0.3678000      0.2338000      0.5165000
  1 1 1     -22  -11    8 o    6.967000      0.2950000       6.808000 0.4195000       7.126000      0.4149000     -0.3176000      0.5900000
  1 1 1     -22  -11    9 o    1.956000      0.5627000       1.883000 0.7849000       2.028000      0.8065000     -0.1446000       1.125000
  1 1 1     -22  -11   10 f    6.647000      0.3213000       6.579000 0.4461000       6.715000      0.4627000     -0.1359000      0.6427000
  1 1 1     -22  -11   11 o    15.96000      0.2857000       15.97000 0.4036000       15.96000      0.4045000      0.1441000E-01  0.5714000
  1 1 1     -22  -11   12 o    10.48000      0.2722000       10.40000 0.3872000       10.55000      0.3828000     -0.1519000      0.5445000
  1 1 1     -22  -11   13 o    10.46000      0.2776000       9.821000 0.3991000       11.11000      0.3861000      -1.288000      0.5553000
  1 1 1     -22  -11   14 o    7.666000      0.3092000       7.498000 0.4430000       7.834000      0.4316000     -0.3368000      0.6185000
  1 1 1     -22  -11   15 o    10.31000      0.2828000       11.01000 0.3905000       9.623000      0.4092000       1.383000      0.5657000
  1 1 1     -22  -11   16 o    9.098000      0.3015000       9.418000 0.4121000       8.777000      0.4401000      0.6409000      0.6030000
  1 1 1     -22  -11   17 o    5.378000      0.4338000       5.425000 0.5985000       5.330000      0.6281000      0.9427000E-01  0.8676000
  1 1 1     -22  -11   19 o    7.263000      0.3576000       6.818000 0.5168000       7.707000      0.4943000     -0.8897000      0.7151000
  1 1 1     -22  -11   20 o    6.626000      0.4043000       5.634000 0.6182000       7.618000      0.5212000      -1.984000      0.8086000
  1 1 1     -22  -11   21 o    7.741000      0.5272000       7.285000 0.7449000       8.198000      0.7461000     -0.9138000       1.054000
  1 1 1     -22  -11   22 o    5.507000      0.4941000       5.400000 0.7039000       5.613000      0.6937000     -0.2129000      0.9883000
  1 1 1     -22  -11   23 o    5.190000      0.5482000       4.566000 0.8630000       5.814000      0.6762000      -1.248000       1.096000
  1 1 1     -22  -11   24 o    2.822000      0.6488000       1.783000 0.8320000       3.860000      0.9958000      -2.077000       1.298000
  1 1 1     -22  -11   25 o    7.719000      0.4053000       7.355000 0.5894000       8.083000      0.5565000     -0.7280000      0.8106000
  1 1 1     -22  -11   26 o    5.353000      0.5405000       5.731000 0.7022000       4.975000      0.8219000      0.7563000       1.081000
  1 1 1     -22  -11   27 o    2.698000      0.6735000       3.402000 1.013000       1.995000      0.8880000       1.408000       1.347000
  1 1 1     -22  -11   28 o    2.868000      0.6772000       3.620000 0.9932000       2.115000      0.9207000       1.505000       1.354000
  1 1 1     -22  -11   29 o    3.367000      0.7285000       3.086000 1.056000       3.647000       1.004000     -0.5614000       1.457000
  1 1 1     -22  -11   30 o    2.626000      0.7153000       2.258000 0.9486000       2.995000       1.071000     -0.7377000       1.431000
  1 1 1     -22  -10    1 o    8.371000      0.4887000       8.371000 0.4887000                  ?              ?              ?              ?
  1 1 1     -22  -10    2 o    16.35000      0.3843000       16.18000 0.5414000       16.53000      0.5457000     -0.3423000      0.7687000
  1 1 1     -22  -10    3 o    4.271000      0.5254000                  ?       ?   4.271000      0.5254000                  ?              ?
  1 1 1     -22  -10    4 o    11.40000      0.3046000       11.36000 0.3389000       11.44000      0.5064000     -0.7835000E-01  0.6093000
  1 1 1     -22  -10    5 o    11.25000      0.3468000       11.89000 0.4895000       10.60000      0.4914000       1.294000      0.6937000
  1 1 1     -22  -10    6 o    17.92000      0.2914000       18.09000 0.4142000       17.76000      0.4100000      0.3290000      0.5828000
  1 1 1     -22  -10    7 o    13.22000      0.2568000       13.32000 0.3622000       13.13000      0.3643000      0.1875000      0.5137000
  1 1 1     -22  -10    8 o    5.311000      0.3525000       5.599000 0.4810000       5.023000      0.5154000      0.5764000      0.7050000
  1 1 1     -22  -10    9 o    5.425000      0.3597000       5.733000 0.4759000       5.118000      0.5396000      0.6144000      0.7195000
  1 1 1     -22  -10   10 o    7.934000      0.2865000       8.226000 0.3935000       7.641000      0.4167000      0.5852000      0.5731000
  1 1 1     -22  -10   11 o    2.252000      0.5905000       2.094000 0.8173000       2.409000      0.8525000     -0.3153000       1.181000
  1 1 1     -22  -10   12 o    12.81000      0.2709000       12.93000 0.3841000       12.70000      0.3822000      0.2253000      0.5418000
  1 1 1     -22  -10   13 o    5.560000      0.3782000       5.511000 0.5367000       5.609000      0.5328000     -0.9852000E-01  0.7563000
  1 1 1     -22  -10   14 o    8.810000      0.2899000       8.943000 0.4022000       8.676000      0.4175000      0.2673000      0.5797000
  1 1 1     -22  -10   15 o    3.408000      0.5804000       3.654000 0.7774000       3.162000      0.8621000      0.4919000       1.161000
  1 1 1     -22  -10   16 o    3.671000      0.5586000       3.741000 0.7807000       3.601000      0.7991000      0.1405000       1.117000
  1 1 1     -22  -10   17 o    6.286000      0.3626000       6.193000 0.5116000       6.378000      0.5139000     -0.1845000      0.7251000
  1 1 1     -22  -10   18 o    8.224000      0.4597000       8.788000 0.6463000       7.660000      0.6539000       1.128000      0.9194000
  1 1 1     -22  -10   19 o    2.862000      0.6416000       2.573000 0.8963000       3.151000      0.9183000     -0.5778000       1.283000
  1 1 1     -22  -10   20 o    12.32000      0.3030000       11.92000 0.4263000       12.72000      0.4306000     -0.7971000      0.6059000
  1 1 1     -22  -10   21 o    7.616000      0.5458000       7.892000 0.7135000       7.341000      0.8262000      0.5510000       1.092000
  1 1 1     -22  -10   22 o    6.949000      0.4791000       7.529000 0.7277000       6.370000      0.6235000       1.159000      0.9582000
  1 1 1     -22  -10   23 o    3.240000      0.7020000       3.772000 0.9779000       2.709000       1.007000       1.063000       1.404000
  1 1 1     -22  -10   24 o    6.048000      0.4883000       6.151000 0.6674000       5.944000      0.7130000      0.2066000      0.9766000
  1 1 1     -22  -10   25 o    12.33000      0.3290000       12.36000 0.4656000       12.30000      0.4650000      0.5485000E-01  0.6581000
  1 1 1     -22  -10   26 o    4.834000      0.5893000       4.745000 0.8417000       4.923000      0.8251000     -0.1786000       1.179000
  1 1 1     -22  -10   27 o    2.741000      0.7156000       2.911000 1.021000       2.572000       1.003000      0.3398000       1.431000
  1 1 1     -22  -10   28 o    6.147000      0.4892000       5.283000 0.7757000       7.010000      0.5964000      -1.727000      0.9785000
  1 1 1     -22  -10   29 o    3.477000      0.6965000       3.798000 0.9663000       3.157000       1.003000      0.6405000       1.393000
  1 1 1     -22  -10   30 o    1.750000      0.8093000       1.750000 0.8093000                  ?              ?              ?              ?
  1 1 1     -22   -9    1 o    2.237000      0.8928000       2.237000 0.8928000                  ?              ?              ?              ?
  1 1 1     -22   -9    2 o    8.382000      0.3389000       8.260000 0.4845000       8.503000      0.4739000     -0.2434000      0.6777000
  1 1 1     -22   -9    3 o    14.76000      0.3680000                  ?       ?   14.76000      0.3680000                  ?              ?
  1 1 1     -22   -9    4 o    6.180000      0.2951000       6.275000 0.4115000       6.086000      0.4230000      0.1883000      0.5902000
  1 1 1     -22   -9    5 o    9.521000      0.3493000       9.688000 0.4896000       9.355000      0.4983000      0.3329000      0.6986000
  1 1 1     -22   -9    6 o    4.414000      0.3842000       4.385000 0.5591000       4.444000      0.5273000     -0.5981000E-01  0.7685000
  1 1 1     -22   -9    7 o    2.932000      0.5411000       2.627000 0.7895000       3.237000      0.7402000     -0.6096000       1.082000
  1 1 1     -22   -9    8 o    5.680000      0.3251000       5.408000 0.4702000       5.951000      0.4492000     -0.5427000      0.6502000
  1 1 1     -22   -9    9 o    8.690000      0.2696000       8.574000 0.3810000       8.806000      0.3815000     -0.2323000      0.5392000
  1 1 1     -22   -9   10 o    6.921000      0.3119000       6.951000 0.4347000       6.892000      0.4474000      0.5895000E-01  0.6238000
  1 1 1     -22   -9   11 o    9.139000      0.2770000       8.919000 0.3897000       9.358000      0.3938000     -0.4392000      0.5540000
  1 1 1     -22   -9   12 o    12.15000      0.2686000       12.44000 0.3785000       11.85000      0.3812000      0.5847000      0.5372000
  1 1 1     -22   -9   13 o    7.517000      0.3096000       7.324000 0.4414000       7.710000      0.4343000     -0.3865000      0.6193000
  1 1 1     -22   -9   14 o    7.368000      0.3146000       7.303000 0.4411000       7.433000      0.4486000     -0.1305000      0.6292000
  1 1 1     -22   -9   15 o    5.096000      0.4160000       5.497000 0.5273000       4.695000      0.6436000      0.8015000      0.8320000
  1 1 1     -22   -9   16 o    5.398000      0.4168000       5.480000 0.5759000       5.316000      0.6026000      0.1638000      0.8335000
  1 1 1     -22   -9   17 o    3.361000      0.6097000       3.454000 0.8467000       3.269000      0.8776000      0.1846000       1.219000
  1 1 1     -22   -9   18 o    8.030000      0.4560000       7.755000 0.6666000       8.305000      0.6222000     -0.5496000      0.9119000
  1 1 1     -22   -9   19 o    8.596000      0.3126000       8.658000 0.4358000       8.533000      0.4484000      0.1253000      0.6253000
  1 1 1     -22   -9   20 o    13.32000      0.3026000       13.86000 0.4258000       12.78000      0.4300000       1.086000      0.6051000
  1 1 1     -22   -9   21 o    9.547000      0.4532000       10.12000 0.6221000       8.975000      0.6592000       1.145000      0.9064000
  1 1 1     -22   -9   22 o    3.834000      0.6295000       4.447000 0.7971000       3.221000      0.9744000       1.226000       1.259000
  1 1 1     -22   -9   23 o    9.502000      0.3434000       9.987000 0.4718000       9.017000      0.4992000      0.9700000      0.6868000
  1 1 1     -22   -9   24 o    4.871000      0.5826000       5.784000 0.6807000       3.958000      0.9457000       1.826000       1.165000
  1 1 1     -22   -9   25 o    5.553000      0.5132000       5.005000 0.7841000       6.101000      0.6623000      -1.096000       1.026000
  1 1 1     -22   -9   26 o    4.847000      0.6006000       5.860000 0.6864000       3.833000      0.9857000       2.027000       1.201000
  1 1 1     -22   -9   27 o    3.963000      0.6886000       4.128000 0.9707000       3.797000      0.9769000      0.3304000       1.377000
  1 1 1     -22   -9   28 o    7.875000      0.3807000       8.014000 0.5373000       7.736000      0.5395000      0.2784000      0.7614000
  1 1 1     -22   -9   29 o    2.629000      0.6634000       1.978000 0.8729000       3.279000      0.9992000      -1.301000       1.327000
  1 1 1     -22   -9   30 o    3.674000      0.6429000       2.889000 1.013000       4.460000      0.7917000      -1.571000       1.286000
  1 1 1     -22   -8    1 o    1.743000      0.5359000       2.148000 0.8706000       1.338000      0.6253000      0.8102000       1.072000
  1 1 1     -22   -8    2 o    12.90000      0.3449000       12.26000 0.4822000       13.54000      0.4933000      -1.286000      0.6898000
  1 1 1     -22   -8    3 f    9.344000      0.2458000       9.234000 0.3498000       9.454000      0.3454000     -0.2200000      0.4916000
  1 1 1     -22   -8    4 o    3.967000      0.4218000       4.215000 0.5561000       3.719000      0.6344000      0.4956000      0.8436000
  1 1 1     -22   -8    5 o    6.549000      0.3913000       6.738000 0.5356000       6.359000      0.5705000      0.3794000      0.7825000
  1 1 1     -22   -8    6 o    5.871000      0.3110000       6.067000 0.4314000       5.676000      0.4482000      0.3913000      0.6221000
  1 1 1     -22   -8    7 o    4.280000      0.4019000       4.422000 0.5518000       4.137000      0.5844000      0.2842000      0.8038000
  1 1 1     -22   -8    8 o    5.769000      0.3217000       5.799000 0.4493000       5.739000      0.4606000      0.6035000E-01  0.6435000
  1 1 1     -22   -8    9 o    10.30000      0.2635000       10.22000 0.3714000       10.37000      0.3738000     -0.1558000      0.5269000
  1 1 1     -22   -8   10 o    2.261000      0.5784000       2.272000 0.8245000       2.250000      0.8114000      0.2232000E-01   1.157000
  1 1 1     -22   -8   11 o    12.93000      0.2681000       12.98000 0.3781000       12.88000      0.3801000      0.1013000      0.5362000
  1 1 1     -22   -8   12 o    11.80000      0.2657000       11.95000 0.3761000       11.65000      0.3753000      0.3039000      0.5313000
  1 1 1     -22   -8   13 o    12.80000      0.2711000       12.42000 0.3832000       13.18000      0.3837000     -0.7600000      0.5423000
  1 1 1     -22   -8   14 o    6.322000      0.3477000       6.700000 0.4785000       5.943000      0.5045000      0.7572000      0.6953000
  1 1 1     -22   -8   15 o    5.351000      0.4040000       5.014000 0.5971000       5.689000      0.5442000     -0.6757000      0.8079000
  1 1 1     -22   -8   16 o    5.519000      0.4094000       5.883000 0.5575000       5.155000      0.5998000      0.7283000      0.8189000
  1 1 1     -22   -8   17 o    13.00000      0.3501000       12.58000 0.3937000       13.41000      0.5790000     -0.8250000      0.7002000
  1 1 1     -22   -8   19 o    13.08000      0.2908000       13.22000 0.4105000       12.94000      0.4120000      0.2850000      0.5816000
  1 1 1     -22   -8   20 o    9.902000      0.3112000       10.40000 0.4228000       9.407000      0.4567000      0.9918000      0.6224000
  1 1 1     -22   -8   21 o    6.981000      0.5379000       6.871000 0.7501000       7.091000      0.7712000     -0.2197000       1.076000
  1 1 1     -22   -8   22 o    4.596000      0.5558000       4.783000 0.7447000       4.409000      0.8254000      0.3738000       1.112000
  1 1 1     -22   -8   23 o    4.083000      0.6353000       4.333000 0.8631000       3.833000      0.9324000      0.4999000       1.271000
  1 1 1     -22   -8   24 o    11.76000      0.3236000       11.90000 0.4563000       11.63000      0.4590000      0.2716000      0.6472000
  1 1 1     -22   -8   25 o    8.640000      0.3705000       8.473000 0.5277000       8.808000      0.5201000     -0.3345000      0.7409000
  1 1 1     -22   -8   26 o    4.710000      0.5921000       4.501000 0.8738000       4.919000      0.7994000     -0.4179000       1.184000
  1 1 1     -22   -8   27 o    3.710000      0.6728000       4.016000 0.9371000       3.405000      0.9658000      0.6108000       1.346000
  1 1 1     -22   -8   28 o    6.739000      0.4045000       6.775000 0.5581000       6.703000      0.5858000      0.7164000E-01  0.8091000
  1 1 1     -22   -8   29 o    4.154000      0.6511000       4.751000 0.8210000       3.557000       1.011000       1.193000       1.302000
  1 1 1     -22   -8   30 o    2.623000      0.6862000       2.607000 0.9582000       2.639000      0.9826000     -0.3231000E-01   1.372000
  1 1 1     -22   -7    1 f    8.728000      0.3507000       8.899000 0.4974000       8.556000      0.4945000      0.3430000      0.7014000
  1 1 1     -22   -7    2 o    11.16000      0.3401000       11.28000 0.4892000       11.05000      0.4726000      0.2322000      0.6802000
  1 1 1     -22   -7    3 o    13.36000      0.2493000       13.01000 0.3494000       13.70000      0.3555000     -0.6953000      0.4985000
  1 1 1     -22   -7    4 o    9.205000      0.2508000       8.707000 0.3629000       9.703000      0.3463000     -0.9959000      0.5016000
  1 1 1     -22   -7    5 o    5.670000      0.4340000       5.310000 0.6391000       6.030000      0.5873000     -0.7199000      0.8680000
  1 1 1     -22   -7    6 o    2.498000      0.5526000       2.490000 0.7754000       2.506000      0.7874000     -0.1628000E-01   1.105000
  1 1 1     -22   -7    7 o    9.076000      0.2562000       8.857000 0.3631000       9.296000      0.3615000     -0.4393000      0.5124000
  1 1 1     -22   -7    8 o    2.223000      0.5542000       2.259000 0.7794000       2.188000      0.7881000      0.7135000E-01   1.108000
  1 1 1     -22   -7    9 o    8.737000      0.2675000       9.091000 0.3747000       8.382000      0.3818000      0.7097000      0.5349000
  1 1 1     -22   -7   10 o    10.73000      0.3120000       11.00000 0.3639000       10.45000      0.5069000      0.5569000      0.6240000
  1 1 1     -22   -7   11 o    11.57000      0.2629000       11.23000 0.3702000       11.92000      0.3733000     -0.6829000      0.5257000
  1 1 1     -22   -7   12 o    17.61000      0.2954000       17.76000 0.4194000       17.47000      0.4161000      0.2911000      0.5908000
  1 1 1     -22   -7   13 o    4.776000      0.4322000       5.280000 0.5343000       4.271000      0.6795000       1.009000      0.8645000
  1 1 1     -22   -7   14 o    9.355000      0.2764000       9.376000 0.3876000       9.333000      0.3941000      0.4255000E-01  0.5528000
  1 1 1     -22   -7   15 o    10.10000      0.2803000       10.33000 0.3957000       9.875000      0.3972000      0.4563000      0.5606000
  1 1 1     -22   -7   16 o    22.30000      0.3491000       21.97000 0.4896000       22.63000      0.4978000     -0.6619000      0.6982000
  1 1 1     -22   -7   17 o    11.96000      0.2848000       11.88000 0.4043000       12.04000      0.4012000     -0.1574000      0.5696000
  1 1 1     -22   -7   18 o    6.891000      0.4969000       7.463000 0.6679000       6.320000      0.7359000       1.143000      0.9939000
  1 1 1     -22   -7   19 o    3.922000      0.5905000       3.643000 0.8847000       4.200000      0.7825000     -0.5579000       1.181000
  1 1 1     -22   -7   20 f    1.651000      0.5404000       1.463000 0.7005000       1.840000      0.8231000     -0.3775000       1.081000
  1 1 1     -22   -7   21 o    5.011000      0.7213000       4.495000 1.062000       5.527000      0.9765000      -1.032000       1.443000
  1 1 1     -22   -7   22 f    8.395000      0.3380000       8.515000 0.4756000       8.275000      0.4803000      0.2395000      0.6759000
  1 1 1     -22   -7   23 o    6.883000      0.4164000       7.285000 0.5597000       6.482000      0.6167000      0.8031000      0.8328000
  1 1 1     -22   -7   24 o    11.10000      0.3237000       10.89000 0.4603000       11.30000      0.4552000     -0.4004000      0.6474000
  1 1 1     -22   -7   25 o    5.541000      0.4837000       5.844000 0.6427000       5.238000      0.7231000      0.6064000      0.9674000
  1 1 1     -22   -7   26 o    3.270000      0.6596000       2.550000 0.9714000       3.990000      0.8927000      -1.439000       1.319000
  1 1 1     -22   -7   27 o    2.876000      0.6484000       3.692000 0.9595000       2.060000      0.8724000       1.632000       1.297000
  1 1 1     -22   -7   28 o    5.252000      0.5223000       5.695000 0.6927000       4.808000      0.7820000      0.8870000       1.045000
  1 1 1     -22   -7   29 o    2.218000      0.6451000       1.935000 0.8597000       2.500000      0.9621000     -0.5653000       1.290000
  1 1 1     -22   -7   30 o    2.465000      0.6328000       1.844000 0.8268000       3.086000      0.9583000      -1.242000       1.266000
  1 1 1     -22   -6    1 o    10.90000      0.3325000       10.98000 0.4753000       10.82000      0.4650000      0.1555000      0.6650000
  1 1 1     -22   -6    2 o    4.542000      0.4844000       4.431000 0.7579000       4.653000      0.6033000     -0.2214000      0.9688000
  1 1 1     -22   -6    3 o    7.495000      0.2568000       7.776000 0.3605000       7.215000      0.3657000      0.5609000      0.5135000
  1 1 1     -22   -6    4 o    2.384000      0.6176000       2.690000 0.8791000       2.078000      0.8676000      0.6128000       1.235000
  1 1 1     -22   -6    5 o    12.13000      0.3535000       12.29000 0.4996000       11.97000      0.5001000      0.3133000      0.7069000
  1 1 1     -22   -6    6 f    15.66000      0.2706000       15.66000 0.3840000       15.66000      0.3814000     -0.4771000E-02  0.5413000
  1 1 1     -22   -6    7 o    15.59000      0.2693000       15.84000 0.3840000       15.33000      0.3778000      0.5086000      0.5387000
  1 1 1     -22   -6    8 o    7.335000      0.2686000       7.590000 0.3739000       7.080000      0.3858000      0.5106000      0.5372000
  1 1 1     -22   -6    9 o    15.33000      0.2743000       15.25000 0.3869000       15.40000      0.3889000     -0.1485000      0.5485000
  1 1 1     -22   -6   10 o    13.92000      0.2652000       13.85000 0.3746000       13.98000      0.3757000     -0.1267000      0.5305000
  1 1 1     -22   -6   11 o    21.68000      0.3342000       21.44000 0.4690000       21.93000      0.4762000     -0.4898000      0.6684000
  1 1 1     -22   -6   12 f    14.41000      0.2730000       14.21000 0.3866000       14.61000      0.3855000     -0.3989000      0.5460000
  1 1 1     -22   -6   13 o    9.602000      0.2747000       9.244000 0.3902000       9.960000      0.3867000     -0.7160000      0.5494000
  1 1 1     -22   -6   14 o    7.410000      0.3025000       7.652000 0.4156000       7.168000      0.4396000      0.4845000      0.6049000
  1 1 1     -22   -6   15 o    14.63000      0.2814000       14.43000 0.3969000       14.84000      0.3990000     -0.4153000      0.5628000
  1 1 1     -22   -6   16 o    20.01000      0.3247000       20.33000 0.4636000       19.69000      0.4547000      0.6414000      0.6494000
  1 1 1     -22   -6   17 o    3.004000      0.5961000       2.684000 0.8665000       3.324000      0.8190000     -0.6403000       1.192000
  1 1 1     -22   -6   18 o    4.989000      0.6256000       4.221000 0.9971000       5.756000      0.7558000      -1.535000       1.251000
  1 1 1     -22   -6   19 o    12.69000      0.2857000       12.77000 0.4063000       12.60000      0.4017000      0.1712000      0.5714000
  1 1 1     -22   -6   20 o    7.227000      0.3297000       7.091000 0.4787000       7.363000      0.4535000     -0.2727000      0.6594000
  1 1 1     -22   -6   21 o    5.288000      0.6800000       5.369000 0.9304000       5.208000      0.9921000      0.1613000       1.360000
  1 1 1     -22   -6   22 o    3.423000      0.6452000       3.759000 0.8859000       3.087000      0.9383000      0.6723000       1.290000
  1 1 1     -22   -6   23 o    4.139000      0.6038000       3.584000 0.9405000       4.694000      0.7576000      -1.110000       1.208000
  1 1 1     -22   -6   24 o    6.497000      0.4276000       5.721000 0.6576000       7.272000      0.5466000      -1.551000      0.8551000
  1 1 1     -22   -6   25 o    4.243000      0.6017000       4.071000 0.8591000       4.415000      0.8427000     -0.3437000       1.203000
  1 1 1     -22   -6   26 o    3.022000      0.6579000       2.461000 0.9436000       3.584000      0.9169000      -1.124000       1.316000
  1 1 1     -22   -6   27 o    5.009000      0.5278000       5.041000 0.7582000       4.976000      0.7343000      0.6558000E-01   1.056000
  1 1 1     -22   -6   28 o    5.477000      0.4841000       6.056000 0.6226000       4.898000      0.7415000       1.158000      0.9683000
  1 1 1     -22   -6   29 o    2.480000      0.6658000       2.228000 0.9136000       2.732000      0.9689000     -0.5035000       1.332000
  1 1 1     -22   -6   30 o    2.413000      0.6299000       3.066000 0.9665000       1.761000      0.8081000       1.305000       1.260000
  1 1 1     -22   -5    1 o    3.933000      0.5172000       3.806000 0.7659000       4.060000      0.6953000     -0.2537000       1.034000
  1 1 1     -22   -5    2 o    2.908000      0.9017000       2.908000 0.9017000                  ?              ?              ?              ?
  1 1 1     -22   -5    3 o    9.157000      0.2384000       9.169000 0.3428000       9.144000      0.3314000      0.2520000E-01  0.4767000
  1 1 1     -22   -5    4 o    9.006000      0.5056000                  ?       ?   9.006000      0.5056000                  ?              ?
  1 1 1     -22   -5    6 o    11.82000      0.2457000       11.92000 0.3481000       11.71000      0.3467000      0.2083000      0.4913000
  1 1 1     -22   -5    7 o    11.28000      0.2407000       11.26000 0.3412000       11.31000      0.3396000     -0.4701000E-01  0.4814000
  1 1 1     -22   -5    8 o    11.29000      0.2500000       11.51000 0.3514000       11.06000      0.3556000      0.4535000      0.5000000
  1 1 1     -22   -5    9 o    3.628000      0.4716000       3.515000 0.6916000       3.740000      0.6414000     -0.2248000      0.9433000
  1 1 1     -22   -5   10 o    4.349000      0.3935000       4.291000 0.5793000       4.406000      0.5328000     -0.1154000      0.7871000
  1 1 1     -22   -5   11 o    9.521000      0.2575000       9.682000 0.3670000       9.360000      0.3613000      0.3210000      0.5150000
  1 1 1     -22   -5   12 o    10.33000      0.2581000       10.47000 0.3673000       10.18000      0.3628000      0.2877000      0.5163000
  1 1 1     -22   -5   13 o    20.30000      0.4006000       19.72000 0.4480000       20.88000      0.6643000      -1.166000      0.8013000
  1 1 1     -22   -5   14 o    5.448000      0.3554000       5.240000 0.5179000       5.656000      0.4867000     -0.4154000      0.7107000
  1 1 1     -22   -5   15 o    9.908000      0.2735000       9.672000 0.3901000       10.15000      0.3833000     -0.4737000      0.5469000
  1 1 1     -22   -5   16 o    9.669000      0.2812000       9.192000 0.4093000       10.15000      0.3856000     -0.9539000      0.5623000
  1 1 1     -22   -5   17 o    6.627000      0.4922000       6.861000 0.6879000       6.394000      0.7042000      0.4665000      0.9844000
  1 1 1     -22   -5   18 o    8.947000      0.3981000       8.669000 0.5784000       9.225000      0.5472000     -0.5564000      0.7962000
  1 1 1     -22   -5   19 o    11.87000      0.2898000       11.78000 0.4142000       11.97000      0.4054000     -0.1883000      0.5796000
  1 1 1     -22   -5   20 o    2.558000      0.7474000       2.085000 0.9516000       3.030000       1.153000     -0.9448000       1.495000
  1 1 1     -22   -5   21 o    2.989000      0.7980000       2.743000 1.088000       3.235000       1.168000     -0.4912000       1.596000
  1 1 1     -22   -5   22 o    10.27000      0.3092000       10.04000 0.4421000       10.51000      0.4324000     -0.4753000      0.6184000
  1 1 1     -22   -5   23 o    5.291000      0.5064000       5.395000 0.6879000       5.186000      0.7434000      0.2096000       1.013000
  1 1 1     -22   -5   24 o    4.516000      0.5687000       3.787000 0.8942000       5.245000      0.7029000      -1.459000       1.137000
  1 1 1     -22   -5   25 o    2.660000      0.6776000       2.734000 0.9525000       2.585000      0.9639000      0.1489000       1.355000
  1 1 1     -22   -5   26 o    3.280000      0.6095000       2.278000 0.9215000       4.283000      0.7980000      -2.005000       1.219000
  1 1 1     -22   -5   27 o    3.462000      0.6832000       3.566000 0.9790000       3.359000      0.9531000      0.2079000       1.366000
  1 1 1     -22   -5   28 o    7.834000      0.3626000       8.152000 0.5049000       7.517000      0.5207000      0.6347000      0.7253000
  1 1 1     -22   -5   29 o    1.920000      0.6009000       1.999000 0.8646000       1.840000      0.8346000      0.1597000       1.202000
  1 1 1     -22   -5   30 o    3.942000      0.5970000       4.950000 0.7044000       2.933000      0.9642000       2.018000       1.194000
  1 1 1     -22   -4    1 o    5.758000      0.3784000       5.123000 0.5839000       6.392000      0.4816000      -1.269000      0.7568000
  1 1 1     -22   -4    2 o    12.86000      0.3439000       12.86000 0.3439000                  ?              ?              ?              ?
  1 1 1     -22   -4    3 o    10.25000      0.2393000       10.17000 0.3385000       10.34000      0.3385000     -0.1751000      0.4787000
  1 1 1     -22   -4    4 o    19.55000      0.6163000                  ?       ?   19.55000      0.6163000                  ?              ?
  1 1 1     -22   -4    5 o    8.572000      0.2488000       8.444000 0.3528000       8.701000      0.3510000     -0.2577000      0.4976000
  1 1 1     -22   -4    6 o    10.25000      0.2443000       10.27000 0.3471000       10.23000      0.3440000      0.3814000E-01  0.4887000
  1 1 1     -22   -4    7 o    12.54000      0.2506000       12.68000 0.3570000       12.39000      0.3518000      0.2826000      0.5012000
  1 1 1     -22   -4    8 f    16.96000      0.2842000       16.70000 0.3973000       17.22000      0.4065000     -0.5169000      0.5684000
  1 1 1     -22   -4    9 o    6.560000      0.2960000       6.159000 0.4350000       6.962000      0.4014000     -0.8029000      0.5919000
  1 1 1     -22   -4   10 o    7.436000      0.2839000       6.956000 0.4283000       7.915000      0.3728000     -0.9591000      0.5678000
  1 1 1     -22   -4   11 o    5.334000      0.3450000       5.365000 0.4958000       5.303000      0.4799000      0.6242000E-01  0.6900000
  1 1 1     -22   -4   12 o    5.061000      0.3653000       4.930000 0.5142000       5.192000      0.5189000     -0.2624000      0.7305000
  1 1 1     -22   -4   13 o    5.984000      0.3434000       6.121000 0.4785000       5.847000      0.4927000      0.2730000      0.6868000
  1 1 1     -22   -4   14 o    13.92000      0.2750000       13.98000 0.3886000       13.86000      0.3891000      0.1178000      0.5499000
  1 1 1     -22   -4   15 o    14.88000      0.2808000       15.06000 0.4011000       14.70000      0.3931000      0.3600000      0.5616000
  1 1 1     -22   -4   16 o    16.49000      0.2929000       16.28000 0.4122000       16.69000      0.4161000     -0.4141000      0.5857000
  1 1 1     -22   -4   17 o    3.084000      0.6741000       3.907000 0.9675000       2.260000      0.9390000       1.646000       1.348000
  1 1 1     -22   -4   18 o    7.621000      0.3227000       7.622000 0.4633000       7.619000      0.4493000      0.3398000E-02  0.6454000
  1 1 1     -22   -4   19 o    9.047000      0.3088000       9.284000 0.4284000       8.810000      0.4448000      0.4743000      0.6175000
  1 1 1     -22   -4   20 o    10.30000      0.4440000       10.05000 0.6260000       10.56000      0.6298000     -0.5092000      0.8880000
  1 1 1     -22   -4   21 o    2.969000      0.5944000       3.852000 0.8221000       2.085000      0.8586000       1.767000       1.189000
  1 1 1     -22   -4   22 o    11.85000      0.3023000       11.71000 0.4278000       11.98000      0.4273000     -0.2663000      0.6046000
  1 1 1     -22   -4   23 o    4.932000      0.5235000       4.807000 0.7607000       5.057000      0.7195000     -0.2495000       1.047000
  1 1 1     -22   -4   24 o    5.964000      0.4043000       5.716000 0.5859000       6.211000      0.5574000     -0.4947000      0.8087000
  1 1 1     -22   -4   25 o    6.071000      0.4289000       6.240000 0.5853000       5.903000      0.6269000      0.3374000      0.8577000
  1 1 1     -22   -4   26 o    3.012000      0.6827000       2.955000 0.9970000       3.069000      0.9330000     -0.1142000       1.365000
  1 1 1     -22   -4   27 o    4.695000      0.5280000       4.010000 0.8541000       5.381000      0.6211000      -1.371000       1.056000
  1 1 1     -22   -4   28 o    6.562000      0.4203000       6.683000 0.5995000       6.441000      0.5892000      0.2421000      0.8406000
  1 1 1     -22   -4   29 o    2.283000      0.6483000       2.090000 0.8910000       2.476000      0.9420000     -0.3864000       1.297000
  1 1 1     -22   -4   30 o    1.688000      0.5467000       1.890000 0.8252000       1.486000      0.7173000      0.4040000       1.093000
  1 1 1     -22   -3    1 o    6.306000      0.3636000       6.429000 0.5025000       6.183000      0.5257000      0.2461000      0.7273000
  1 1 1     -22   -3    2 o    5.597000      0.2826000       5.659000 0.3984000       5.535000      0.4009000      0.1236000      0.5651000
  1 1 1     -22   -3    3 o    8.025000      0.3541000       8.137000 0.4805000       7.913000      0.5204000      0.2243000      0.7083000
  1 1 1     -22   -3    4 o    8.492000      0.3636000       8.608000 0.4880000       8.376000      0.5392000      0.2327000      0.7273000
  1 1 1     -22   -3    5 o    4.958000      0.3265000       4.827000 0.4381000       5.090000      0.4841000     -0.2629000      0.6529000
  1 1 1     -22   -3    6 o    5.455000      0.3050000       5.731000 0.4248000       5.179000      0.4379000      0.5528000      0.6101000
  1 1 1     -22   -3    7 o    14.48000      0.2585000       14.27000 0.3642000       14.68000      0.3670000     -0.4038000      0.5171000
  1 1 1     -22   -3    8 o    14.38000      0.2616000       14.09000 0.3654000       14.67000      0.3744000     -0.5860000      0.5232000
  1 1 1     -22   -3    9 o    5.685000      0.3186000       5.712000 0.4346000       5.657000      0.4659000      0.5554000E-01  0.6372000
  1 1 1     -22   -3   10 o    4.053000      0.4425000       3.333000 0.7043000       4.772000      0.5361000      -1.440000      0.8851000
  1 1 1     -22   -3   11 o    6.800000      0.2924000       6.965000 0.4137000       6.634000      0.4132000      0.3301000      0.5847000
  1 1 1     -22   -3   12 o    7.762000      0.2804000       7.562000 0.4017000       7.961000      0.3912000     -0.3990000      0.5607000
  1 1 1     -22   -3   13 o    13.04000      0.2651000       12.63000 0.3741000       13.45000      0.3756000     -0.8218000      0.5301000
  1 1 1     -22   -3   14 o    7.455000      0.2890000       7.001000 0.4253000       7.910000      0.3915000     -0.9094000      0.5781000
  1 1 1     -22   -3   15 o    5.036000      0.4018000       4.816000 0.6068000       5.256000      0.5270000     -0.4399000      0.8037000
  1 1 1     -22   -3   16 o    14.63000      0.2860000       14.59000 0.4061000       14.67000      0.4027000     -0.8111000E-01  0.5720000
  1 1 1     -22   -3   17 o    11.49000      0.3883000       11.13000 0.5575000       11.85000      0.5407000     -0.7188000      0.7766000
  1 1 1     -22   -3   18 o    4.231000      0.5245000       3.726000 0.8104000       4.736000      0.6659000      -1.010000       1.049000
  1 1 1     -22   -3   19 o    14.20000      0.4250000       14.54000 0.5968000       13.86000      0.6051000      0.6835000      0.8499000
  1 1 1     -22   -3   20 o    9.738000      0.4484000       9.312000 0.6330000       10.16000      0.6353000     -0.8512000      0.8969000
  1 1 1     -22   -3   21 o    5.668000      0.4112000       6.223000 0.5434000       5.113000      0.6172000       1.111000      0.8223000
  1 1 1     -22   -3   22 o    6.936000      0.3888000       6.890000 0.5459000       6.983000      0.5538000     -0.9307000E-01  0.7777000
  1 1 1     -22   -3   23 o    2.959000      0.6777000       3.247000 0.9591000       2.672000      0.9577000      0.5757000       1.355000
  1 1 1     -22   -3   24 o    14.38000      0.3054000       14.46000 0.4330000       14.30000      0.4309000      0.1611000      0.6108000
  1 1 1     -22   -3   25 o    10.58000      0.3067000       10.58000 0.4426000       10.57000      0.4246000      0.3348000E-02  0.6133000
  1 1 1     -22   -3   26 o    3.078000      0.6462000       3.908000 0.9095000       2.249000      0.9183000       1.659000       1.292000
  1 1 1     -22   -3   27 o    4.389000      0.5606000       4.330000 0.8323000       4.447000      0.7511000     -0.1167000       1.121000
  1 1 1     -22   -3   28 f    6.191000      0.4239000       5.846000 0.6407000       6.536000      0.5553000     -0.6904000      0.8478000
  1 1 1     -22   -3   29 o    6.698000      0.3888000       6.594000 0.5687000       6.802000      0.5304000     -0.2078000      0.7777000
  1 1 1     -22   -2    1 o    14.41000      0.2511000       14.24000 0.3499000       14.57000      0.3603000     -0.3254000      0.5022000
  1 1 1     -22   -2    2 o    7.095000      0.2537000       7.267000 0.3444000       6.923000      0.3725000      0.3440000      0.5073000
  1 1 1     -22   -2    3 o    19.22000      0.4270000       19.13000 0.5954000       19.31000      0.6122000     -0.1816000      0.8540000
  1 1 1     -22   -2    4 f    6.749000      0.2601000       6.502000 0.3647000       6.997000      0.3710000     -0.4950000      0.5202000
  1 1 1     -22   -2    5 o    3.125000      0.4858000       2.893000 0.7217000       3.356000      0.6506000     -0.4629000      0.9716000
  1 1 1     -22   -2    6 o    10.08000      0.2406000       10.05000 0.3413000       10.11000      0.3391000     -0.6311000E-01  0.4811000
  1 1 1     -22   -2    7 o    9.431000      0.2443000       9.296000 0.3457000       9.566000      0.3452000     -0.2708000      0.4885000
  1 1 1     -22   -2    8 o    6.087000      0.2821000       5.940000 0.4139000       6.233000      0.3836000     -0.2925000      0.5643000
  1 1 1     -22   -2    9 o    6.224000      0.2984000       6.181000 0.4164000       6.267000      0.4274000     -0.8636000E-01  0.5967000
  1 1 1     -22   -2   10 o    9.031000      0.2583000       8.649000 0.3700000       9.414000      0.3607000     -0.7653000      0.5167000
  1 1 1     -22   -2   11 o    5.592000      0.3411000       5.126000 0.5132000       6.057000      0.4494000     -0.9304000      0.6821000
  1 1 1     -22   -2   12 o    8.732000      0.2553000       8.954000 0.3588000       8.511000      0.3633000      0.4438000      0.5106000
  1 1 1     -22   -2   13 o    7.009000      0.2865000       6.847000 0.4164000       7.171000      0.3937000     -0.3242000      0.5731000
  1 1 1     -22   -2   14 o    8.374000      0.2867000       8.380000 0.4064000       8.369000      0.4046000      0.1133000E-01  0.5735000
  1 1 1     -22   -2   15 o    15.61000      0.2855000       15.53000 0.4042000       15.70000      0.4034000     -0.1703000      0.5711000
  1 1 1     -22   -2   16 o    10.15000      0.3826000       10.67000 0.5491000       9.627000      0.5329000       1.045000      0.7651000
  1 1 1     -22   -2   17 o    6.528000      0.3353000       6.428000 0.4739000       6.628000      0.4746000     -0.1995000      0.6707000
  1 1 1     -22   -2   18 o    9.155000      0.3027000       9.481000 0.4184000       8.829000      0.4374000      0.6526000      0.6053000
  1 1 1     -22   -2   19 o    8.226000      0.4533000       8.462000 0.6182000       7.989000      0.6631000      0.4728000      0.9066000
  1 1 1     -22   -2   20 o    9.886000      0.2973000       9.602000 0.4256000       10.17000      0.4154000     -0.5693000      0.5947000
  1 1 1     -22   -2   21 o    8.850000      0.4079000       9.530000 0.4291000       8.169000      0.6939000       1.362000      0.8159000
  1 1 1     -22   -2   22 o    8.372000      0.3444000       8.680000 0.4762000       8.064000      0.4978000      0.6162000      0.6889000
  1 1 1     -22   -2   23 f    2.321000      0.6376000       2.662000 0.9452000       1.979000      0.8561000      0.6827000       1.275000
  1 1 1     -22   -2   24 o    7.091000      0.3919000       7.875000 0.5175000       6.306000      0.5887000       1.569000      0.7838000
  1 1 1     -22   -2   25 o    4.930000      0.5111000       5.073000 0.7273000       4.786000      0.7183000      0.2867000       1.022000
  1 1 1     -22   -2   26 o    2.985000      0.6413000       3.255000 0.9368000       2.714000      0.8760000      0.5405000       1.283000
  1 1 1     -22   -2   27 o    4.230000      0.6080000       4.091000 0.8962000       4.370000      0.8218000     -0.2788000       1.216000
  1 1 1     -22   -2   28 o    6.788000      0.4054000       7.301000 0.5493000       6.275000      0.5963000       1.026000      0.8107000
  1 1 1     -22   -2   29 o    5.933000      0.4372000       6.195000 0.6015000       5.670000      0.6348000      0.5244000      0.8745000
  1 1 1     -22   -1    1 o    15.83000      0.2624000       15.34000 0.3633000       16.31000      0.3787000     -0.9701000      0.5248000
  1 1 1     -22   -1    2 o    7.801000      0.3403000       7.703000 0.4721000       7.899000      0.4902000     -0.1957000      0.6806000
  1 1 1     -22   -1    3 o    9.806000      0.4731000       9.806000 0.4731000                  ?              ?              ?              ?
  1 1 1     -22   -1    4 o    9.021000      0.2357000       9.177000 0.3328000       8.865000      0.3337000      0.3123000      0.4713000
  1 1 1     -22   -1    5 o    12.87000      0.3534000                  ?       ?   12.87000      0.3534000                  ?              ?
  1 1 1     -22   -1    6 f    9.847000      0.2431000       9.173000 0.3418000       10.52000      0.3458000      -1.347000      0.4862000
  1 1 1     -22   -1    7 o    7.218000      0.2602000       7.236000 0.3646000       7.199000      0.3713000      0.3774000E-01  0.5204000
  1 1 1     -22   -1    8 o    11.66000      0.2490000       11.61000 0.3517000       11.72000      0.3525000     -0.1129000      0.4979000
  1 1 1     -22   -1    9 f    14.73000      0.2661000       14.71000 0.3771000       14.74000      0.3756000     -0.2391000E-01  0.5322000
  1 1 1     -22   -1   10 o    10.65000      0.2567000       10.45000 0.3618000       10.85000      0.3642000     -0.3941000      0.5133000
  1 1 1     -22   -1   11 o    9.119000      0.2488000       9.081000 0.3560000       9.157000      0.3477000     -0.7575000E-01  0.4976000
  1 1 1     -22   -1   12 o    11.90000      0.2578000       12.07000 0.3671000       11.73000      0.3619000      0.3390000      0.5155000
  1 1 1     -22   -1   13 o    8.617000      0.2655000       8.281000 0.3807000       8.952000      0.3700000     -0.6715000      0.5309000
  1 1 1     -22   -1   14 o    13.01000      0.2738000       13.38000 0.3916000       12.64000      0.3828000      0.7463000      0.5476000
  1 1 1     -22   -1   15 f    9.772000      0.2687000       9.438000 0.3773000       10.11000      0.3827000     -0.6681000      0.5374000
  1 1 1     -22   -1   16 o    4.169000      0.5825000       4.307000 0.8678000       4.031000      0.7772000      0.2763000       1.165000
  1 1 1     -22   -1   17 o    2.392000      0.5560000       1.888000 0.7727000       2.897000      0.7997000      -1.009000       1.112000
  1 1 1     -22   -1   18 o    6.360000      0.5713000       5.752000 0.8444000       6.968000      0.7698000      -1.217000       1.143000
  1 1 1     -22   -1   19 o    4.623000      0.7084000       4.906000 0.9555000       4.339000       1.046000      0.5665000       1.417000
  1 1 1     -22   -1   20 f    4.702000      0.4709000       4.296000 0.7304000       5.107000      0.5945000     -0.8111000      0.9418000
  1 1 1     -22   -1   21 o    8.836000      0.3124000       8.982000 0.4375000       8.689000      0.4461000      0.2930000      0.6248000
  1 1 1     -22   -1   22 o    4.082000      0.5247000       4.614000 0.6738000       3.549000      0.8046000       1.065000       1.049000
  1 1 1     -22   -1   23 o    4.875000      0.5468000       5.697000 0.6328000       4.052000      0.8918000       1.645000       1.094000
  1 1 1     -22   -1   24 o    2.457000      0.6555000       2.288000 0.9014000       2.626000      0.9520000     -0.3385000       1.311000
  1 1 1     -22   -1   25 o    4.367000      0.5864000       4.931000 0.7766000       3.803000      0.8789000       1.127000       1.173000
  1 1 1     -22   -1   26 o    2.540000      0.6162000       3.436000 0.9685000       1.645000      0.7622000       1.791000       1.232000
  1 1 1     -22   -1   27 o    1.596000      0.5282000       1.591000 0.7528000       1.601000      0.7412000     -0.1005000E-01   1.056000
  1 1 1     -22   -1   28 o    4.666000      0.5249000       4.309000 0.8269000       5.024000      0.6468000     -0.7147000       1.050000
  1 1 1     -22   -1   29 o    3.601000      0.6209000       4.477000 0.7967000       2.724000      0.9525000       1.753000       1.242000
  1 1 1     -22    0    1 f    20.78000      0.4467000       20.52000 0.6211000       21.05000      0.6422000     -0.5262000      0.8934000
  1 1 1     -22    0    2 o    8.784000      0.3451000       8.880000 0.4771000       8.688000      0.4986000      0.1919000      0.6901000
  1 1 1     -22    0    3 o    13.17000      0.3458000       13.17000 0.3458000                  ?              ?              ?              ?
  1 1 1     -22    0    4 o    12.15000      0.2412000       12.62000 0.3424000       11.68000      0.3399000      0.9364000      0.4825000
  1 1 1     -22    0    5 o    11.73000      0.3433000                  ?       ?   11.73000      0.3433000                  ?              ?
  1 1 1     -22    0    6 o    6.978000      0.2538000       6.664000 0.3714000       7.292000      0.3459000     -0.6275000      0.5076000
  1 1 1     -22    0    7 o    5.168000      0.3077000       5.249000 0.4366000       5.087000      0.4338000      0.1619000      0.6155000
  1 1 1     -22    0    8 o    4.918000      0.3239000       4.902000 0.4789000       4.934000      0.4363000     -0.3208000E-01  0.6479000
  1 1 1     -22    0    9 o    9.443000      0.2522000       9.210000 0.3598000       9.675000      0.3535000     -0.4646000      0.5044000
  1 1 1     -22    0   10 o    4.551000      0.3884000       5.257000 0.4705000       3.846000      0.6180000       1.411000      0.7767000
  1 1 1     -22    0   11 f    8.111000      0.2579000       7.731000 0.3717000       8.491000      0.3576000     -0.7607000      0.5158000
  1 1 1     -22    0   12 o    16.54000      0.2840000       16.26000 0.3993000       16.82000      0.4040000     -0.5573000      0.5680000
  1 1 1     -22    0   13 o    5.262000      0.3495000       4.615000 0.5548000       5.908000      0.4250000      -1.293000      0.6989000
  1 1 1     -22    0   14 o    2.368000      0.5715000       2.253000 0.8141000       2.483000      0.8022000     -0.2298000       1.143000
  1 1 1     -22    0   15 o    7.311000      0.4147000       7.508000 0.5959000       7.113000      0.5769000      0.3952000      0.8294000
  1 1 1     -22    0   16 f    5.831000      0.3667000       6.185000 0.4969000       5.477000      0.5395000      0.7078000      0.7335000
  1 1 1     -22    0   17 f    9.018000      0.3017000       9.332000 0.4253000       8.704000      0.4280000      0.6278000      0.6034000
  1 1 1     -22    0   18 o    13.51000      0.4136000       13.67000 0.5687000       13.35000      0.6006000      0.3271000      0.8271000
  1 1 1     -22    0   19 o    4.471000      0.4761000       4.291000 0.7037000       4.650000      0.6415000     -0.3585000      0.9522000
  1 1 1     -22    0   20 o    4.258000      0.5159000       3.873000 0.8139000       4.643000      0.6341000     -0.7697000       1.032000
  1 1 1     -22    0   21 o    6.622000      0.3712000       6.296000 0.5450000       6.947000      0.5040000     -0.6505000      0.7423000
  1 1 1     -22    0   22 o    2.142000      0.6052000       1.832000 0.8157000       2.451000      0.8944000     -0.6190000       1.210000
  1 1 1     -22    0   23 o    2.522000      0.6286000       2.194000 0.8697000       2.850000      0.9078000     -0.6564000       1.257000
  1 1 1     -22    0   24 o    2.626000      0.6548000       2.578000 0.9397000       2.674000      0.9123000     -0.9587000E-01   1.310000
  1 1 1     -22    0   25 o    4.592000      0.5104000       5.142000 0.6962000       4.042000      0.7466000       1.100000       1.021000
  1 1 1     -22    0   26 o    3.333000      0.6419000       3.601000 0.8925000       3.065000      0.9229000      0.5363000       1.284000
  1 1 1     -22    0   27 o    2.357000      0.6387000       2.955000 0.9892000       1.758000      0.8083000       1.197000       1.277000
  1 1 1     -22    0   28 o    3.604000      0.6568000       3.400000 0.9610000       3.807000      0.8955000     -0.4070000       1.314000
  1 1 1     -22    1    1 o    11.93000      0.3318000       11.93000 0.4588000       11.93000      0.4793000      0.4995000E-02  0.6635000
  1 1 1     -22    1    2 o    14.87000      0.2642000       15.08000 0.3613000       14.65000      0.3856000      0.4212000      0.5284000
  1 1 1     -22    1    3 o    5.184000      0.2987000       5.692000 0.3906000       4.676000      0.4520000       1.015000      0.5973000
  1 1 1     -22    1    4 o    9.097000      0.2351000       9.167000 0.3299000       9.027000      0.3350000      0.1398000      0.4702000
  1 1 1     -22    1    5 o    11.09000      0.2407000       11.44000 0.3424000       10.75000      0.3384000      0.6956000      0.4814000
  1 1 1     -22    1    6 o    10.40000      0.2368000       10.47000 0.3332000       10.34000      0.3364000      0.1316000      0.4735000
  1 1 1     -22    1    7 o    7.764000      0.2468000       7.986000 0.3472000       7.541000      0.3509000      0.4452000      0.4936000
  1 1 1     -22    1    8 o    5.689000      0.2982000       5.834000 0.4300000       5.544000      0.4134000      0.2900000      0.5964000
  1 1 1     -22    1    9 o    3.901000      0.4067000       3.456000 0.6324000       4.347000      0.5117000     -0.8907000      0.8134000
  1 1 1     -22    1   10 o    5.198000      0.3147000       4.948000 0.4603000       5.448000      0.4294000     -0.4996000      0.6295000
  1 1 1     -22    1   11 o    10.79000      0.2559000       11.33000 0.3648000       10.25000      0.3590000       1.077000      0.5118000
  1 1 1     -22    1   12 f    7.759000      0.2678000       7.761000 0.3837000       7.757000      0.3737000      0.3972000E-02  0.5356000
  1 1 1     -22    1   13 o    6.149000      0.3125000       6.095000 0.4433000       6.203000      0.4405000     -0.1075000      0.6249000
  1 1 1     -22    1   14 f    3.748000      0.6268000       3.270000 0.9974000       4.225000      0.7596000     -0.9549000       1.254000
  1 1 1     -22    1   15 o    8.435000      0.3685000       9.272000 0.5257000       7.598000      0.5166000       1.673000      0.7370000
  1 1 1     -22    1   16 o    2.480000      0.5853000       2.616000 0.8450000       2.344000      0.8103000      0.2725000       1.171000
  1 1 1     -22    1   17 o    9.384000      0.4359000       9.094000 0.6178000       9.675000      0.6151000     -0.5809000      0.8718000
  1 1 1     -22    1   18 o    8.603000      0.3029000       9.088000 0.4243000       8.117000      0.4323000      0.9710000      0.6057000
  1 1 1     -22    1   19 o    8.892000      0.2948000       8.575000 0.4279000       9.209000      0.4058000     -0.6333000      0.5897000
  1 1 1     -22    1   20 o    5.146000      0.4728000       4.155000 0.7822000       6.138000      0.5312000      -1.983000      0.9455000
  1 1 1     -22    1   21 o    5.977000      0.3871000       5.512000 0.5874000       6.443000      0.5045000     -0.9309000      0.7743000
  1 1 1     -22    1   22 o    7.482000      0.3415000       7.724000 0.4837000       7.240000      0.4823000      0.4840000      0.6831000
  1 1 1     -22    1   23 o    2.200000      0.6166000       1.845000 0.8183000       2.554000      0.9227000     -0.7084000       1.233000
  1 1 1     -22    1   24 o    3.726000      0.6329000       4.335000 0.8433000       3.117000      0.9439000       1.218000       1.266000
  1 1 1     -22    1   25 o    2.187000      0.6104000       1.786000 0.8042000       2.588000      0.9183000     -0.8021000       1.221000
  1 1 1     -22    1   26 o    5.130000      0.4820000       5.109000 0.6932000       5.151000      0.6698000     -0.4212000E-01  0.9639000
  1 1 1     -22    1   27 o    4.269000      0.5617000       3.576000 0.9132000       4.963000      0.6543000      -1.387000       1.123000
  1 1 1     -22    1   28 f    1.922000      0.5830000       1.873000 0.8198000       1.971000      0.8291000     -0.9766000E-01   1.166000
  1 1 1     -22    2    1 o    4.712000      0.3222000       4.274000 0.4328000       5.150000      0.4774000     -0.8754000      0.6444000
  1 1 1     -22    2    2 f    7.197000      0.2672000       7.212000 0.3399000       7.182000      0.4124000      0.3063000E-01  0.5344000
  1 1 1     -22    2    3 o    6.366000      0.2906000       6.255000 0.3792000       6.477000      0.4404000     -0.2212000      0.5811000
  1 1 1     -22    2    4 o    7.636000      0.2620000       8.043000 0.3380000       7.229000      0.4003000      0.8135000      0.5239000
  1 1 1     -22    2    5 o    9.757000      0.2484000       9.896000 0.3291000       9.617000      0.3721000      0.2793000      0.4968000
  1 1 1     -22    2    6 o    6.921000      0.2836000       6.682000 0.3680000       7.161000      0.4317000     -0.4795000      0.5673000
  1 1 1     -22    2    7 o    14.55000      0.2677000       14.52000 0.3669000       14.57000      0.3900000     -0.5142000E-01  0.5354000
  1 1 1     -22    2    8 o    12.76000      0.3117000       12.98000 0.3575000       12.54000      0.5107000      0.4412000      0.6234000
  1 1 1     -22    2    9 o    7.091000      0.2659000       6.859000 0.3861000       7.323000      0.3657000     -0.4639000      0.5318000
  1 1 1     -22    2   10 o    4.044000      0.4209000       4.483000 0.5369000       3.605000      0.6485000      0.8781000      0.8419000
  1 1 1     -22    2   11 o    10.19000      0.2544000       10.66000 0.3593000       9.708000      0.3601000      0.9557000      0.5087000
  1 1 1     -22    2   12 o    4.233000      0.4215000       4.564000 0.5426000       3.902000      0.6452000      0.6623000      0.8430000
  1 1 1     -22    2   13 f    2.016000      0.5948000       1.870000 0.8256000       2.162000      0.8563000     -0.2924000       1.190000
  1 1 1     -22    2   14 o    11.12000      0.3613000       10.79000 0.5184000       11.44000      0.5035000     -0.6439000      0.7227000
  1 1 1     -22    2   15 o    5.636000      0.3659000       5.905000 0.5069000       5.368000      0.5277000      0.5364000      0.7318000
  1 1 1     -22    2   16 f    10.92000      0.4094000       11.38000 0.5678000       10.47000      0.5900000      0.9121000      0.8188000
  1 1 1     -22    2   17 o    2.151000      0.6409000       1.677000 0.7938000       2.625000       1.006000     -0.9476000       1.282000
  1 1 1     -22    2   18 o    4.620000      0.4550000       4.670000 0.6107000       4.569000      0.6746000      0.1002000      0.9100000
  1 1 1     -22    2   19 o    10.01000      0.2942000       9.897000 0.4165000       10.12000      0.4156000     -0.2211000      0.5884000
  1 1 1     -22    2   20 o    3.451000      0.5756000       3.394000 0.8353000       3.508000      0.7923000     -0.1134000       1.151000
  1 1 1     -22    2   21 f    3.547000      0.5792000       3.560000 0.8340000       3.535000      0.8038000      0.2565000E-01   1.158000
  1 1 1     -22    2   22 o    2.760000      0.6393000       3.062000 0.9110000       2.458000      0.8972000      0.6038000       1.279000
  1 1 1     -22    2   23 o    3.997000      0.5933000       3.622000 0.9169000       4.372000      0.7533000     -0.7494000       1.187000
  1 1 1     -22    2   24 o    4.413000      0.5360000       3.816000 0.8555000       5.010000      0.6461000      -1.194000       1.072000
  1 1 1     -22    2   25 o    5.992000      0.4007000       5.466000 0.6150000       6.519000      0.5139000      -1.053000      0.8014000
  1 1 1     -22    2   26 o    6.703000      0.3831000       6.168000 0.5770000       7.237000      0.5039000      -1.069000      0.7661000
  1 1 1     -22    2   27 o    2.124000      0.6127000       2.578000 0.9545000       1.669000      0.7684000      0.9098000       1.225000
  1 1 1     -22    3    1 o    2.809000      0.5072000       2.931000 0.6412000       2.687000      0.7862000      0.2433000       1.014000
  1 1 1     -22    3    2 o    7.755000      0.3058000       7.812000 0.3396000       7.699000      0.5086000      0.1128000      0.6116000
  1 1 1     -22    3    3 o    6.802000      0.2762000       7.000000 0.3404000       6.604000      0.4351000      0.3957000      0.5525000
  1 1 1     -22    3    4 o    7.908000      0.3421000       7.908000 0.3421000                  ?              ?              ?              ?
  1 1 1     -22    3    5 o    8.445000      0.2591000       8.322000 0.3333000       8.568000      0.3968000     -0.2454000      0.5182000
  1 1 1     -22    3    6 f    5.150000      0.5423000                  ?       ?   5.150000      0.5423000                  ?              ?
  1 1 1     -22    3    7 o    5.177000      0.3480000       5.195000 0.4552000       5.159000      0.5266000      0.3632000E-01  0.6960000
  1 1 1     -22    3    8 o    12.57000      0.2626000       12.38000 0.3547000       12.75000      0.3872000     -0.3640000      0.5251000
  1 1 1     -22    3    9 o    9.319000      0.2617000       9.002000 0.3500000       9.636000      0.3891000     -0.6337000      0.5233000
  1 1 1     -22    3   10 o    5.408000      0.3694000       5.555000 0.4516000       5.261000      0.5847000      0.2942000      0.7388000
  1 1 1     -22    3   11 o    14.04000      0.2802000       13.91000 0.3818000       14.18000      0.4103000     -0.2662000      0.5605000
  1 1 1     -22    3   12 o    6.513000      0.3051000       6.292000 0.3916000       6.734000      0.4680000     -0.4420000      0.6103000
  1 1 1     -22    3   13 o    12.19000      0.4007000       11.61000 0.5260000       12.78000      0.6046000      -1.173000      0.8014000
  1 1 1     -22    3   14 o    10.85000      0.2824000       10.64000 0.3767000       11.06000      0.4207000     -0.4181000      0.5647000
  1 1 1     -22    3   15 o    3.561000      0.6312000       3.236000 0.7218000       3.886000       1.036000     -0.6503000       1.262000
  1 1 1     -22    3   16 o    8.706000      0.4620000       8.111000 0.6667000       9.302000      0.6398000      -1.191000      0.9241000
  1 1 1     -22    3   17 o    9.036000      0.2994000       8.862000 0.4384000       9.210000      0.4079000     -0.3484000      0.5988000
  1 1 1     -22    3   18 o    8.594000      0.3067000       8.849000 0.4373000       8.339000      0.4303000      0.5098000      0.6135000
  1 1 1     -22    3   19 o    8.538000      0.3109000       8.819000 0.4306000       8.258000      0.4487000      0.5618000      0.6219000
  1 1 1     -22    3   20 o    4.359000      0.5107000       3.525000 0.8371000       5.192000      0.5850000      -1.666000       1.021000
  1 1 1     -22    3   21 o    4.167000      0.5587000       5.156000 0.6545000       3.178000      0.9058000       1.977000       1.117000
  1 1 1     -22    3   22 o    4.219000      0.5347000       4.208000 0.7791000       4.229000      0.7325000     -0.2097000E-01   1.069000
  1 1 1     -22    3   23 o    3.295000      0.5956000       3.852000 0.7886000       2.737000      0.8927000       1.115000       1.191000
  1 1 1     -22    3   24 o    3.906000      0.5374000       4.077000 0.7246000       3.734000      0.7938000      0.3426000       1.075000
  1 1 1     -22    3   25 o    5.275000      0.4410000       4.691000 0.7023000       5.860000      0.5337000      -1.169000      0.8821000
  1 1 1     -22    3   26 o    3.533000      0.6463000       3.218000 0.9578000       3.847000      0.8679000     -0.6288000       1.293000
  1 1 1     -22    3   27 o    1.841000      0.5742000       1.660000 0.7682000       2.021000      0.8537000     -0.3610000       1.148000
  1 1 1     -22    4    1 o    10.30000      0.2431000       10.43000 0.3218000       10.17000      0.3645000      0.2614000      0.4862000
  1 1 1     -22    4    2 o    7.565000      0.2639000       7.482000 0.3360000       7.648000      0.4070000     -0.1660000      0.5278000
  1 1 1     -22    4    3 o    7.191000      0.2678000       6.906000 0.3437000       7.477000      0.4108000     -0.5711000      0.5356000
  1 1 1     -22    4    4 o    10.91000      0.3334000       10.91000 0.3334000                  ?              ?              ?              ?
  1 1 1     -22    4    5 o    11.06000      0.2547000       10.86000 0.3415000       11.26000      0.3781000     -0.3964000      0.5095000
  1 1 1     -22    4    6 o    8.730000      0.4140000                  ?       ?   8.730000      0.4140000                  ?              ?
  1 1 1     -22    4    7 o    2.447000      0.5727000       2.156000 0.7765000       2.738000      0.8419000     -0.5819000       1.145000
  1 1 1     -22    4    8 o    8.005000      0.2807000       8.331000 0.3628000       7.680000      0.4283000      0.6516000      0.5613000
  1 1 1     -22    4    9 o    3.082000      0.5252000       3.892000 0.6168000       2.273000      0.8502000       1.619000       1.050000
  1 1 1     -22    4   10 o    6.976000      0.3099000       6.634000 0.4188000       7.317000      0.4570000     -0.6826000      0.6198000
  1 1 1     -22    4   11 o    8.558000      0.2844000       8.540000 0.3613000       8.576000      0.4392000     -0.3551000E-01  0.5687000
  1 1 1     -22    4   12 o    8.489000      0.4241000       8.797000 0.4945000       8.181000      0.6891000      0.6167000      0.8482000
  1 1 1     -22    4   13 o    2.371000      0.6012000       2.754000 0.8552000       1.988000      0.8451000      0.7656000       1.202000
  1 1 1     -22    4   14 o    7.117000      0.3561000       7.429000 0.4403000       6.805000      0.5599000      0.6239000      0.7123000
  1 1 1     -22    4   15 o    2.532000      0.7130000       2.382000 0.9890000       2.683000       1.027000     -0.3008000       1.426000
  1 1 1     -22    4   16 o    5.573000      0.4374000       6.130000 0.4957000       5.017000      0.7208000       1.113000      0.8748000
  1 1 1     -22    4   17 o    8.789000      0.3290000       8.956000 0.4300000       8.622000      0.4981000      0.3340000      0.6580000
  1 1 1     -22    4   18 o    2.563000      0.5716000       3.283000 0.7887000       1.842000      0.8277000       1.440000       1.143000
  1 1 1     -22    4   19 o    4.466000      0.5402000       4.581000 0.6627000       4.352000      0.8534000      0.2290000       1.080000
  1 1 1     -22    4   20 o    8.217000      0.3590000       8.678000 0.4621000       7.756000      0.5497000      0.9223000      0.7181000
  1 1 1     -22    4   21 o    5.207000      0.5094000       5.689000 0.5533000       4.726000      0.8556000      0.9630000       1.019000
  1 1 1     -22    4   22 o    2.167000      0.6355000       1.776000 0.7996000       2.557000      0.9881000     -0.7810000       1.271000
  1 1 1     -22    4   23 o    3.094000      0.6590000       3.452000 0.8874000       2.736000      0.9744000      0.7154000       1.318000
  1 1 1     -22    4   24 o    3.266000      0.6321000       2.651000 0.9238000       3.881000      0.8631000      -1.230000       1.264000
  1 1 1     -22    4   25 o    2.492000      0.6542000       2.603000 0.9474000       2.380000      0.9023000      0.2224000       1.308000
  1 1 1     -22    4   26 o    2.066000      0.5916000       2.382000 0.8770000       1.751000      0.7943000      0.6310000       1.183000
  1 1 1     -22    5    1 o    3.800000      0.4205000       4.043000 0.4814000       3.558000      0.6895000      0.4851000      0.8409000
  1 1 1     -22    5    2 o    5.275000      0.3194000       5.020000 0.4088000       5.531000      0.4908000     -0.5112000      0.6388000
  1 1 1     -22    5    3 o    5.755000      0.3124000       5.172000 0.4181000       6.338000      0.4643000      -1.166000      0.6249000
  1 1 1     -22    5    4 o    1.811000      0.5266000       1.813000 0.7070000       1.809000      0.7808000      0.4525000E-02   1.053000
  1 1 1     -22    5    5 o    5.477000      0.3410000       5.755000 0.3998000       5.198000      0.5525000      0.5564000      0.6820000
  1 1 1     -22    5    6 o    4.381000      0.4191000       4.658000 0.4965000       4.103000      0.6754000      0.5544000      0.8383000
  1 1 1     -22    5    7 o    10.95000      0.2645000       11.19000 0.3527000       10.71000      0.3941000      0.4743000      0.5289000
  1 1 1     -22    5    8 o    6.770000      0.3244000       6.842000 0.4159000       6.697000      0.4981000      0.1449000      0.6489000
  1 1 1     -22    5    9 o    2.717000      0.5677000       1.974000 0.7871000       3.461000      0.8183000      -1.487000       1.135000
  1 1 1     -22    5   10 o    5.683000      0.3316000       5.083000 0.4373000       6.282000      0.4985000      -1.198000      0.6632000
  1 1 1     -22    5   11 o    4.551000      0.6581000       5.062000 0.6898000       4.039000       1.121000       1.023000       1.316000
  1 1 1     -22    5   12 o    7.179000      0.3221000       7.166000 0.4289000       7.193000      0.4808000     -0.2697000E-01  0.6443000
  1 1 1     -22    5   13 o    8.099000      0.3140000       8.449000 0.4086000       7.750000      0.4768000      0.6990000      0.6279000
  1 1 1     -22    5   14 o    3.416000      0.7030000       2.632000 1.025000       4.201000      0.9625000      -1.570000       1.406000
  1 1 1     -22    5   15 o    5.817000      0.4020000       5.912000 0.5295000       5.722000      0.6050000      0.1902000      0.8040000
  1 1 1     -22    5   16 o    9.716000      0.3136000       10.07000 0.3974000       9.358000      0.4851000      0.7174000      0.6271000
  1 1 1     -22    5   17 o    4.405000      0.5382000       5.242000 0.5447000       3.568000      0.9284000       1.674000       1.076000
  1 1 1     -22    5   18 o    8.600000      0.3289000       8.545000 0.4185000       8.655000      0.5076000     -0.1101000      0.6579000
  1 1 1     -22    5   19 o    4.384000      0.6053000       4.927000 0.6929000       3.841000      0.9926000       1.086000       1.211000
  1 1 1     -22    5   20 o    2.809000      0.6866000       2.551000 0.9075000       3.068000       1.031000     -0.5171000       1.373000
  1 1 1     -22    5   21 o    3.288000      0.6882000       3.213000 0.9127000       3.363000       1.030000     -0.1499000       1.376000
  1 1 1     -22    5   22 o    3.662000      0.6256000       3.477000 0.8795000       3.847000      0.8900000     -0.3701000       1.251000
  1 1 1     -22    5   23 f    4.163000      0.5550000       4.831000 0.6299000       3.494000      0.9141000       1.337000       1.110000
  1 1 1     -22    5   24 o    3.009000      0.6366000       3.358000 0.8634000       2.661000      0.9358000      0.6977000       1.273000
  1 1 1     -22    5   25 o    3.311000      0.6320000       3.490000 0.8685000       3.131000      0.9184000      0.3588000       1.264000
  1 1 1     -22    5   26 o    2.541000      0.7526000       2.719000 1.116000       2.363000       1.010000      0.3556000       1.505000
  1 1 1     -22    6    1 o    12.58000      0.2484000       12.68000 0.3379000       12.49000      0.3643000      0.1862000      0.4969000
  1 1 1     -22    6    2 o    7.780000      0.2626000       8.032000 0.3381000       7.528000      0.4019000      0.5033000      0.5251000
  1 1 1     -22    6    3 o    10.52000      0.2503000       10.01000 0.3332000       11.03000      0.3736000      -1.017000      0.5006000
  1 1 1     -22    6    4 o    4.356000      0.3999000       4.152000 0.5257000       4.561000      0.6029000     -0.4094000      0.7999000
  1 1 1     -22    6    5 o    2.840000      0.5572000       2.512000 0.7451000       3.168000      0.8287000     -0.6557000       1.114000
  1 1 1     -22    6    6 o    2.659000      0.5640000       2.265000 0.7594000       3.053000      0.8341000     -0.7881000       1.128000
  1 1 1     -22    6    7 o    7.844000      0.2871000       7.751000 0.3681000       7.936000      0.4406000     -0.1850000      0.5742000
  1 1 1     -22    6    8 o    7.914000      0.2926000       7.795000 0.3918000       8.032000      0.4347000     -0.2374000      0.5852000
  1 1 1     -22    6    9 o    6.413000      0.5031000       6.428000 0.6165000       6.398000      0.7951000      0.2975000E-01   1.006000
  1 1 1     -22    6   10 o    11.22000      0.3894000       10.40000 0.4874000       12.03000      0.6073000      -1.634000      0.7787000
  1 1 1     -22    6   11 o    7.484000      0.3028000       7.374000 0.3928000       7.594000      0.4608000     -0.2192000      0.6055000
  1 1 1     -22    6   12 o    2.323000      0.5883000       2.230000 0.7412000       2.416000      0.9137000     -0.1857000       1.177000
  1 1 1     -22    6   13 o    4.943000      0.5779000       4.996000 0.7803000       4.890000      0.8528000      0.1061000       1.156000
  1 1 1     -22    6   14 o    2.239000      0.6178000       2.049000 0.8187000       2.429000      0.9255000     -0.3799000       1.236000
  1 1 1     -22    6   15 o    6.769000      0.3636000       7.348000 0.4248000       6.189000      0.5902000       1.159000      0.7272000
  1 1 1     -22    6   16 o    3.684000      0.6085000       3.641000 0.7744000       3.728000      0.9389000     -0.8709000E-01   1.217000
  1 1 1     -22    6   17 o    2.316000      0.6292000       1.834000 0.7840000       2.797000      0.9844000     -0.9627000       1.258000
  1 1 1     -22    6   18 o    5.931000      0.4241000       5.367000 0.5628000       6.495000      0.6347000      -1.128000      0.8482000
  1 1 1     -22    6   19 o    2.282000      0.6561000       2.061000 0.8506000       2.502000      0.9992000     -0.4408000       1.312000
  1 1 1     -22    6   20 o    3.698000      0.6525000       3.448000 0.8937000       3.948000      0.9510000     -0.4998000       1.305000
  1 1 1     -22    6   21 o    1.603000      0.5326000       1.330000 0.6446000       1.875000      0.8481000     -0.5446000       1.065000
  1 1 1     -22    6   22 o    2.654000      0.6165000       3.297000 0.8699000       2.011000      0.8739000       1.286000       1.233000
  1 1 1     -22    6   23 o    2.855000      0.6551000       2.858000 0.9467000       2.853000      0.9056000      0.5680000E-02   1.310000
  1 1 1     -22    6   24 o    2.618000      0.6382000       2.486000 0.8870000       2.749000      0.9178000     -0.2629000       1.276000
  1 1 1     -22    6   25 o    2.778000      0.6619000       2.779000 0.9334000       2.776000      0.9387000      0.3249000E-02   1.324000
  1 1 1     -22    7    1 o    6.977000      0.2736000       6.844000 0.3628000       7.109000      0.4097000     -0.2646000      0.5473000
  1 1 1     -22    7    2 o    3.922000      0.4379000       4.116000 0.5430000       3.729000      0.6870000      0.3871000      0.8757000
  1 1 1     -22    7    3 o    7.689000      0.2742000       7.553000 0.3560000       7.826000      0.4171000     -0.2734000      0.5484000
  1 1 1     -22    7    4 o    4.776000      0.3775000       4.430000 0.4801000       5.122000      0.5827000     -0.6926000      0.7550000
  1 1 1     -22    7    5 o    4.970000      0.4695000       4.970000 0.4695000                  ?              ?              ?              ?
  1 1 1     -22    7    6 o    4.874000      0.3958000       5.029000 0.4599000       4.718000      0.6443000      0.3105000      0.7916000
  1 1 1     -22    7    7 o    3.718000      0.8082000                  ?       ?   3.718000      0.8082000                  ?              ?
  1 1 1     -22    7    8 o    5.091000      0.5817000       5.561000 0.5741000       4.622000       1.012000      0.9387000       1.163000
  1 1 1     -22    7    9 o    2.732000      0.7254000       2.810000 0.9508000       2.654000       1.096000      0.1553000       1.451000
  1 1 1     -22    7   10 o    3.657000      0.5130000       2.433000 0.8096000       4.882000      0.6303000      -2.449000       1.026000
  1 1 1     -22    7   11 o    2.758000      0.7011000       2.286000 0.9210000       3.230000       1.057000     -0.9442000       1.402000
  1 1 1     -22    7   12 o    2.550000      0.7007000       2.324000 0.9386000       2.776000       1.041000     -0.4521000       1.401000
  1 1 1     -22    7   13 o    3.041000      0.5986000       3.495000 0.7521000       2.587000      0.9314000      0.9086000       1.197000
  1 1 1     -22    7   14 o    6.660000      0.3708000       7.178000 0.4445000       6.143000      0.5938000       1.034000      0.7417000
  1 1 1     -22    7   15 o    4.121000      0.5586000       4.088000 0.7108000       4.154000      0.8620000     -0.6640000E-01   1.117000
  1 1 1     -22    7   16 o    3.836000      0.5803000       4.217000 0.6484000       3.456000      0.9625000      0.7604000       1.161000
  1 1 1     -22    7   17 o    4.583000      0.5302000       4.834000 0.6008000       4.332000      0.8737000      0.5021000       1.060000
  1 1 1     -22    7   18 o    2.963000      0.6383000       3.149000 0.7841000       2.777000       1.007000      0.3724000       1.277000
  1 1 1     -22    7   19 o    5.216000      0.4656000       5.117000 0.5787000       5.316000      0.7295000     -0.1992000      0.9312000
  1 1 1     -22    7   20 o    2.888000      0.6462000       2.933000 0.8331000       2.842000      0.9881000      0.9046000E-01   1.292000
  1 1 1     -22    7   21 o    3.243000      0.6051000       4.179000 0.7598000       2.308000      0.9420000       1.871000       1.210000
  1 1 1     -22    7   22 o    4.370000      0.5340000       4.208000 0.7423000       4.532000      0.7678000     -0.3235000       1.068000
  1 1 1     -22    7   23 o    3.797000      0.5901000       5.047000 0.6978000       2.547000      0.9519000       2.500000       1.180000
  1 1 1     -22    7   24 o    2.775000      0.6706000       2.609000 0.9329000       2.941000      0.9637000     -0.3318000       1.341000
  1 1 1     -22    8    1 o    14.23000      0.2745000       14.04000 0.3920000       14.42000      0.3844000     -0.3727000      0.5490000
  1 1 1     -22    8    2 o    5.897000      0.3402000       6.078000 0.4579000       5.715000      0.5033000      0.3629000      0.6804000
  1 1 1     -22    8    3 o    5.206000      0.3920000       5.648000 0.4845000       4.764000      0.6164000      0.8843000      0.7840000
  1 1 1     -22    8    4 o    4.168000      0.4364000       3.904000 0.5411000       4.432000      0.6847000     -0.5282000      0.8727000
  1 1 1     -22    8    5 o    3.796000      0.6195000       3.796000 0.6195000                  ?              ?              ?              ?
  1 1 1     -22    8    6 o    3.413000      0.5473000       3.664000 0.6443000       3.161000      0.8847000      0.5029000       1.095000
  1 1 1     -22    8    7 o    2.489000       1.032000                  ?       ?   2.489000       1.032000                  ?              ?
  1 1 1     -22    8    8 o    7.405000      0.3166000       6.947000 0.4122000       7.864000      0.4807000     -0.9170000      0.6332000
  1 1 1     -22    8    9 o    10.13000      0.2848000       10.49000 0.3621000       9.771000      0.4396000      0.7227000      0.5695000
  1 1 1     -22    8   10 o    5.084000      0.5691000       5.019000 0.7791000       5.148000      0.8297000     -0.1292000       1.138000
  1 1 1     -22    8   11 o    3.355000      0.6711000       4.187000 0.8908000       2.524000       1.004000       1.663000       1.342000
  1 1 1     -22    8   12 o    8.959000      0.3103000       9.250000 0.3909000       8.668000      0.4819000      0.5817000      0.6205000
  1 1 1     -22    8   13 o    6.583000      0.3738000       6.843000 0.4546000       6.324000      0.5935000      0.5192000      0.7476000
  1 1 1     -22    8   14 o    6.948000      0.3487000       6.879000 0.4349000       7.017000      0.5451000     -0.1375000      0.6973000
  1 1 1     -22    8   15 o    2.479000      0.6305000       2.520000 0.8451000       2.439000      0.9359000      0.8063000E-01   1.261000
  1 1 1     -22    8   16 o    1.958000      0.5980000       1.739000 0.7647000       2.177000      0.9197000     -0.4380000       1.196000
  1 1 1     -22    8   17 o    5.133000      0.4859000       5.679000 0.4856000       4.586000      0.8418000       1.092000      0.9718000
  1 1 1     -22    8   18 o    4.135000      0.5721000       4.453000 0.6368000       3.818000      0.9507000      0.6347000       1.144000
  1 1 1     -22    8   19 o    3.899000      0.5756000       4.989000 0.6036000       2.808000      0.9804000       2.181000       1.151000
  1 1 1     -22    8   20 o    6.356000      0.3896000       5.851000 0.5382000       6.861000      0.5635000      -1.010000      0.7792000
  1 1 1     -22    8   21 o    2.233000      0.6248000       2.510000 0.9094000       1.956000      0.8568000      0.5543000       1.250000
  1 1 1     -22    8   22 o    3.833000      0.6036000       4.277000 0.7403000       3.389000      0.9535000      0.8880000       1.207000
  1 1 1     -22    8   23 o    2.043000      0.6003000       1.850000 0.7988000       2.236000      0.8962000     -0.3865000       1.201000
  1 1 1     -22    9    1 o    10.29000      0.2704000       10.15000 0.3836000       10.42000      0.3811000     -0.2671000      0.5407000
  1 1 1     -22    9    2 o    8.064000      0.2927000       7.963000 0.4021000       8.166000      0.4256000     -0.2031000      0.5855000
  1 1 1     -22    9    3 o    4.813000      0.4078000       5.170000 0.5329000       4.456000      0.6175000      0.7143000      0.8157000
  1 1 1     -22    9    4 o    2.678000      0.5695000       3.374000 0.7933000       1.983000      0.8174000       1.391000       1.139000
  1 1 1     -22    9    5 o    5.281000      0.5165000       4.954000 0.5628000       5.608000      0.8663000     -0.6544000       1.033000
  1 1 1     -22    9    6 o    6.371000      0.4664000       6.279000 0.5481000       6.464000      0.7547000     -0.1853000      0.9327000
  1 1 1     -22    9    7 o    8.450000      0.2970000       8.705000 0.3756000       8.196000      0.4602000      0.5096000      0.5940000
  1 1 1     -22    9    8 o    4.421000      0.5071000       4.860000 0.5422000       3.982000      0.8570000      0.8785000       1.014000
  1 1 1     -22    9    9 f    2.717000      0.7134000       2.859000 0.9917000       2.575000       1.026000      0.2847000       1.427000
  1 1 1     -22    9   10 o    7.834000      0.3146000       7.753000 0.4024000       7.915000      0.4836000     -0.1616000      0.6291000
  1 1 1     -22    9   11 o    12.44000      0.2861000       11.89000 0.3795000       12.98000      0.4282000      -1.095000      0.5722000
  1 1 1     -22    9   12 o    5.533000      0.4221000       5.384000 0.5325000       5.682000      0.6550000     -0.2976000      0.8442000
  1 1 1     -22    9   13 f    2.681000      0.6307000       2.768000 0.8552000       2.595000      0.9273000      0.1733000       1.261000
  1 1 1     -22    9   14 o    2.719000      0.6464000       2.276000 0.8738000       3.162000      0.9527000     -0.8861000       1.293000
  1 1 1     -22    9   15 o    2.242000      0.6356000       2.043000 0.8339000       2.441000      0.9593000     -0.3986000       1.271000
  1 1 1     -22    9   16 o    4.470000      0.5124000       4.011000 0.7141000       4.929000      0.7350000     -0.9183000       1.025000
  1 1 1     -22    9   17 o    3.458000      0.5998000       2.504000 0.8743000       4.411000      0.8214000      -1.908000       1.200000
  1 1 1     -22    9   18 o    1.965000      0.5951000       2.046000 0.8406000       1.885000      0.8425000      0.1614000       1.190000
  1 1 1     -22    9   19 o    2.800000      0.6489000       2.717000 0.8569000       2.884000      0.9747000     -0.1663000       1.298000
  1 1 1     -22    9   20 o    2.858000      0.6526000       2.378000 0.9088000       3.338000      0.9366000     -0.9593000       1.305000
  1 1 1     -22    9   21 f    2.501000      0.6381000       2.241000 0.8603000       2.760000      0.9426000     -0.5195000       1.276000
  1 1 1     -22    9   22 o    3.059000      0.6464000       2.576000 0.9151000       3.543000      0.9131000     -0.9671000       1.293000
  1 1 1     -22   10    1 o    3.822000      0.4923000       3.812000 0.6672000       3.831000      0.7240000     -0.1859000E-01  0.9845000
  1 1 1     -22   10    2 o    6.725000      0.3351000       5.952000 0.5048000       7.499000      0.4409000      -1.547000      0.6702000
  1 1 1     -22   10    3 o    4.544000      0.4574000       4.710000 0.5706000       4.378000      0.7151000      0.3320000      0.9149000
  1 1 1     -22   10    4 o    2.604000      0.6947000       2.492000 0.8988000       2.716000       1.059000     -0.2239000       1.389000
  1 1 1     -22   10    5 o    6.609000      0.3685000       6.613000 0.5306000       6.606000      0.5117000      0.7030000E-02  0.7371000
  1 1 1     -22   10    6 f    10.33000      0.3044000       10.68000 0.4231000       9.976000      0.4378000      0.7070000      0.6088000
  1 1 1     -22   10    7 o    6.180000      0.7017000       6.264000 1.145000       6.096000      0.8121000      0.1677000       1.403000
  1 1 1     -22   10    8 o    8.815000      0.5121000       9.194000 0.7841000       8.436000      0.6590000      0.7578000       1.024000
  1 1 1     -22   10    9 o    8.713000      0.3534000       8.654000 0.5326000       8.773000      0.4645000     -0.1191000      0.7067000
  1 1 1     -22   10   10 o    7.008000      0.3487000       7.216000 0.4504000       6.800000      0.5325000      0.4154000      0.6975000
  1 1 1     -22   10   11 o    7.617000      0.3441000       8.072000 0.4242000       7.162000      0.5419000      0.9095000      0.6882000
  1 1 1     -22   10   12 o    2.687000      0.6532000       2.513000 0.8828000       2.860000      0.9630000     -0.3470000       1.306000
  1 1 1     -22   10   13 o    1.846000      0.5791000       1.809000 0.7963000       1.882000      0.8410000     -0.7368000E-01   1.158000
  1 1 1     -22   10   14 o    2.678000      0.6464000       3.030000 0.8670000       2.326000      0.9591000      0.7043000       1.293000
  1 1 1     -22   10   15 o    2.917000      0.6625000       3.013000 0.8294000       2.820000       1.033000      0.1938000       1.325000
  1 1 1     -22   10   16 f    2.417000      0.6523000       2.301000 0.8575000       2.534000      0.9833000     -0.2337000       1.305000
  1 1 1     -22   10   17 o    4.317000      0.5818000       4.504000 0.6758000       4.130000      0.9473000      0.3742000       1.164000
  1 1 1     -22   10   18 o    2.329000      0.6386000       2.227000 0.8566000       2.431000      0.9474000     -0.2038000       1.277000
  1 1 1     -22   10   19 o    3.897000      0.5918000       4.401000 0.7026000       3.394000      0.9525000       1.007000       1.184000
  1 1 1     -22   10   20 o    2.899000      0.6596000       2.533000 0.9178000       3.265000      0.9475000     -0.7325000       1.319000
  1 1 1     -22   10   21 o    2.590000      0.6236000       3.072000 0.8808000       2.108000      0.8829000      0.9649000       1.247000
  1 1 1     -22   11    1 o    5.578000      0.3828000       5.829000 0.5082000       5.326000      0.5726000      0.5033000      0.7656000
  1 1 1     -22   11    2 o    4.616000      0.5610000       4.676000 0.6611000       4.555000      0.9067000      0.1206000       1.122000
  1 1 1     -22   11    3 o    2.534000      0.6797000       2.398000 0.8868000       2.670000       1.030000     -0.2724000       1.359000
  1 1 1     -22   11    4 o    3.666000      0.5803000       4.280000 0.6931000       3.052000      0.9308000       1.228000       1.161000
  1 1 1     -22   11    5 f    6.677000      0.3745000       6.640000 0.5155000       6.713000      0.5433000     -0.7264000E-01  0.7490000
  1 1 1     -22   11    6 o    5.229000       1.248000       5.229000 1.248000                  ?              ?              ?              ?
  1 1 1     -22   11    7 o    1.576000      0.5178000       1.973000 0.8519000       1.178000      0.5889000      0.7950000       1.036000
  1 1 1     -22   11    8 o    2.934000      0.7584000       3.269000 1.197000       2.598000      0.9321000      0.6710000       1.517000
  1 1 1     -22   11    9 o    6.181000      0.3996000       5.873000 0.5669000       6.489000      0.5634000     -0.6152000      0.7992000
  1 1 1     -22   11   10 o    3.691000      0.6318000       3.916000 0.8283000       3.466000      0.9542000      0.4497000       1.264000
  1 1 1     -22   11   11 o    4.557000      0.5789000       5.086000 0.7405000       4.028000      0.8901000       1.058000       1.158000
  1 1 1     -22   11   12 o    1.783000      0.5600000       1.797000 0.7684000       1.768000      0.8148000      0.2823000E-01   1.120000
  1 1 1     -22   11   13 o    3.511000      0.5840000       4.260000 0.6187000       2.762000      0.9906000       1.498000       1.168000
  1 1 1     -22   11   14 o    5.750000      0.4310000       6.085000 0.4797000       5.415000      0.7163000      0.6707000      0.8621000
  1 1 1     -22   11   15 o    2.176000      0.6097000       2.256000 0.8310000       2.097000      0.8925000      0.1589000       1.219000
  1 1 1     -22   11   16 o    3.147000      0.6351000       3.462000 0.8274000       2.832000      0.9638000      0.6298000       1.270000
  1 1 1     -22   11   17 o    2.596000      0.6626000       2.466000 0.9046000       2.725000      0.9684000     -0.2593000       1.325000
  1 1 1     -22   11   18 o    2.627000      0.6597000       2.645000 0.8931000       2.609000      0.9710000      0.3624000E-01   1.319000
  1 1 1     -22   11   19 o    3.444000      0.6441000       3.028000 0.9225000       3.860000      0.8991000     -0.8320000       1.288000
  1 1 1     -22   11   20 o    2.526000      0.6371000       2.666000 0.8623000       2.386000      0.9381000      0.2799000       1.274000
  1 1 1     -22   12    1 o    4.949000      0.5381000       5.146000 0.6052000       4.751000      0.8900000      0.3952000       1.076000
  1 1 1     -22   12    2 o    4.280000      0.4799000       4.183000 0.6692000       4.377000      0.6879000     -0.1945000      0.9597000
  1 1 1     -22   12    3 o    4.343000      0.5035000       4.623000 0.6549000       4.063000      0.7649000      0.5599000       1.007000
  1 1 1     -22   12    4 o    3.661000      0.8477000       3.668000 1.349000       3.653000       1.027000      0.1535000E-01   1.695000
  1 1 1     -22   12    5 f    3.034000      0.7820000       2.595000 1.176000       3.473000       1.031000     -0.8783000       1.564000
  1 1 1     -22   12    6 o    1.990000      0.8292000       1.990000 0.8292000                  ?              ?              ?              ?
  1 1 1     -22   12    7 o    3.834000      0.5900000       4.336000 0.7187000       3.331000      0.9359000       1.005000       1.180000
  1 1 1     -22   12    8 f    2.580000      0.9482000                  ?       ?   2.580000      0.9482000                  ?              ?
  1 1 1     -22   12    9 o    3.426000      0.5794000       2.398000 0.9152000       4.455000      0.7109000      -2.057000       1.159000
  1 1 1     -22   12   10 f    6.467000      0.3917000       6.820000 0.5485000       6.113000      0.5594000      0.7068000      0.7834000
  1 1 1     -22   12   11 o    4.800000      0.4869000       4.591000 0.7009000       5.009000      0.6762000     -0.4180000      0.9739000
  1 1 1     -22   12   12 o    5.351000      0.4595000       5.754000 0.5709000       4.948000      0.7201000      0.8057000      0.9190000
  1 1 1     -22   12   13 o    4.860000      0.5035000       4.905000 0.6538000       4.815000      0.7660000      0.8998000E-01   1.007000
  1 1 1     -22   12   14 o    3.171000      0.6050000       3.756000 0.7112000       2.586000      0.9790000       1.170000       1.210000
  1 1 1     -22   12   15 o    4.049000      0.5732000       3.804000 0.7434000       4.295000      0.8728000     -0.4902000       1.146000
  1 1 1     -22   12   16 o    2.162000      0.6472000       2.156000 0.8596000       2.168000      0.9676000     -0.1114000E-01   1.294000
  1 1 1     -22   12   17 o    3.146000      0.6183000       3.875000 0.8052000       2.417000      0.9387000       1.458000       1.237000
  1 1 1     -22   12   18 o    2.692000      0.6309000       3.163000 0.8690000       2.220000      0.9150000      0.9428000       1.262000
  1 1 1     -22   13    1 o    3.426000      0.5897000       3.698000 0.7872000       3.154000      0.8781000      0.5437000       1.179000
  1 1 1     -22   13    2 o    5.946000      0.6816000       6.100000 1.167000       5.792000      0.7045000      0.3088000       1.363000
  1 1 1     -22   13    3 o    5.994000      0.6725000       6.473000 1.125000       5.516000      0.7377000      0.9566000       1.345000
  1 1 1     -22   13    4 o    3.052000      0.6213000       3.342000 0.8334000       2.761000      0.9218000      0.5809000       1.243000
  1 1 1     -22   13    5 o    1.957000      0.5902000       1.960000 0.8301000       1.954000      0.8393000      0.6309000E-02   1.180000
  1 1 1     -22   13    6 o    2.965000      0.6280000       2.463000 0.8983000       3.467000      0.8777000      -1.004000       1.256000
  1 1 1     -22   13    7 o    2.044000      0.5914000       2.250000 0.8584000       1.839000      0.8138000      0.4110000       1.183000
  1 1 1     -22   13    8 o    1.533000      0.5116000       1.674000 0.7706000       1.392000      0.6730000      0.2825000       1.023000
  1 1 1     -22   13    9 o    5.207000      0.4872000       5.622000 0.6411000       4.791000      0.7338000      0.8310000      0.9744000
  1 1 1     -22   13   10 o    6.815000      0.3867000       6.895000 0.5221000       6.735000      0.5707000      0.1598000      0.7735000
  1 1 1     -22   13   11 f    3.581000      0.5643000       4.754000 0.6446000       2.408000      0.9265000       2.346000       1.129000
  1 1 1     -22   13   12 o    3.431000      0.6267000       3.186000 0.8905000       3.677000      0.8821000     -0.4912000       1.253000
  1 1 1     -22   13   13 o    3.449000      0.6192000       2.685000 0.9004000       4.214000      0.8503000      -1.530000       1.238000
  1 1 1     -22   13   14 o    3.256000      0.6529000       3.119000 0.9005000       3.393000      0.9457000     -0.2744000       1.306000
  1 1 1     -22   13   15 o    3.703000      0.6278000       3.263000 0.8976000       4.142000      0.8780000     -0.8787000       1.256000
  1 1 1     -22   13   16 o    1.832000      0.5814000       1.758000 0.7862000       1.906000      0.8567000     -0.1477000       1.163000
  1 1 1     -22   13   17 o    1.984000      0.6020000       1.894000 0.8095000       2.075000      0.8913000     -0.1809000       1.204000
  1 1 1     -22   14    1 o    2.552000      0.7502000       2.327000 1.059000       2.776000       1.063000     -0.4496000       1.500000
  1 1 1     -22   14    2 o    3.027000      0.6461000       3.093000 0.9161000       2.962000      0.9114000      0.1309000       1.292000
  1 1 1     -22   14    3 o    2.080000      0.5937000       1.824000 0.7962000       2.336000      0.8809000     -0.5116000       1.187000
  1 1 1     -22   14    4 o    2.078000      0.5966000       2.500000 0.9221000       1.655000      0.7574000      0.8449000       1.193000
  1 1 1     -22   14    5 o    3.078000      0.6109000       2.334000 0.8872000       3.822000      0.8400000      -1.489000       1.222000
  1 1 1     -22   14    6 o    4.950000      0.4954000       5.488000 0.5887000       4.412000      0.7970000       1.076000      0.9908000
  1 1 1     -22   14    7 o    2.562000      0.6244000       2.980000 0.8878000       2.145000      0.8781000      0.8351000       1.249000
  1 1 1     -22   14    8 o    3.628000      0.6180000       3.992000 0.8260000       3.264000      0.9195000      0.7282000       1.236000
  1 1 1     -22   14    9 o    3.976000      0.5824000       2.748000 0.9600000       5.204000      0.6598000      -2.455000       1.165000
  1 1 1     -22   14   10 o    5.971000      0.4219000       5.754000 0.5858000       6.188000      0.6072000     -0.4340000      0.8438000
  1 1 1     -22   14   11 o    2.152000      0.6276000       2.231000 0.8886000       2.074000      0.8865000      0.1573000       1.255000
  1 1 1     -22   14   12 o    1.844000      0.5789000       1.554000 0.7317000       2.135000      0.8972000     -0.5812000       1.158000
  1 1 1     -22   14   13 o    2.654000      0.6618000       2.620000 0.9253000       2.688000      0.9466000     -0.6743000E-01   1.324000
  1 1 1     -22   14   14 o    3.976000      0.6054000       3.684000 0.8971000       4.267000      0.8131000     -0.5827000       1.211000
  1 1 1     -22   14   15 o    3.063000      0.6640000       2.815000 0.9488000       3.311000      0.9293000     -0.4957000       1.328000
  1 1 1     -22   15    1 o    2.799000      0.6345000       3.287000 0.8852000       2.311000      0.9093000      0.9762000       1.269000
  1 1 1     -22   15    2 o    7.078000      0.3598000       6.600000 0.5295000       7.556000      0.4871000     -0.9558000      0.7195000
  1 1 1     -22   15    3 o    5.525000      0.4270000       5.578000 0.5981000       5.472000      0.6097000      0.1058000      0.8541000
  1 1 1     -22   15    4 f    7.205000      0.3513000       7.163000 0.5152000       7.248000      0.4777000     -0.8538000E-01  0.7026000
  1 1 1     -22   15    5 o    3.808000      0.6104000       4.603000 0.7601000       3.014000      0.9554000       1.589000       1.221000
  1 1 1     -22   15    6 f    3.026000      0.6525000       2.363000 0.9126000       3.690000      0.9329000      -1.327000       1.305000
  1 1 1     -22   15    7 o    2.940000      0.9145000       2.940000 0.9145000                  ?              ?              ?              ?
  1 1 1     -22   15    8 o    1.826000      0.5694000       2.215000 0.9005000       1.437000      0.6970000      0.7779000       1.139000
  1 1 1     -22   15    9 o    4.179000      0.6608000       3.919000 1.040000       4.439000      0.8154000     -0.5200000       1.322000
  1 1 1     -22   15   10 o    2.974000      0.6566000       2.483000 0.9269000       3.466000      0.9302000     -0.9825000       1.313000
  1 1 1     -22   15   11 o    2.315000      0.6354000       2.698000 0.9352000       1.933000      0.8605000      0.7649000       1.271000
  1 1 1     -22   15   12 f    3.165000      0.6598000       3.138000 0.8845000       3.191000      0.9792000     -0.5268000E-01   1.320000
  1 1 1     -22   15   13 o    3.704000      0.8477000       3.634000 1.172000       3.774000       1.225000     -0.1399000       1.695000
  1 1 1     -22   16    1 o    1.963000      0.5966000       1.900000 0.8138000       2.027000      0.8727000     -0.1273000       1.193000
  1 1 1     -22   16    2 o    4.689000      0.5131000       4.789000 0.6524000       4.589000      0.7921000      0.2001000       1.026000
  1 1 1     -22   16    3 o    4.126000      0.5625000       3.125000 0.9149000       5.127000      0.6547000      -2.002000       1.125000
  1 1 1     -22   16    4 o    2.774000      0.6321000       3.205000 0.8908000       2.343000      0.8971000      0.8623000       1.264000
  1 1 1     -22   16    5 o    2.726000      0.6717000       2.521000 0.9444000       2.930000      0.9553000     -0.4094000       1.343000
  1 1 1     -22   16    6 o    3.444000      0.6434000       3.639000 0.8526000       3.249000      0.9637000      0.3898000       1.287000
  1 1 1     -22   16    7 o    3.674000      0.8838000       3.674000 0.8838000                  ?              ?              ?              ?
  1 1 1     -22   16    8 o    5.655000      0.4593000       6.015000 0.5917000       5.295000      0.7028000      0.7200000      0.9187000
  1 1 1     -22   16    9 o    3.075000      0.9453000                  ?       ?   3.075000      0.9453000                  ?              ?
  1 1 1     -22   16   10 o    1.883000      0.5925000       1.944000 0.8462000       1.823000      0.8295000      0.1210000       1.185000
  1 1 1     -22   17    1 o    2.349000      0.6490000       2.032000 0.8751000       2.667000      0.9587000     -0.6351000       1.298000
  1 1 1     -22   17    2 o    2.099000      0.6105000       1.644000 0.7675000       2.555000      0.9497000     -0.9115000       1.221000
  1 1 1     -22   17    3 o    2.292000      0.6353000       2.634000 0.9462000       1.951000      0.8480000      0.6835000       1.271000
  1 1 1     -22   17    4 o    2.367000      0.6416000       1.812000 0.8215000       2.921000      0.9858000      -1.108000       1.283000
  1 1 1     -22   17    5 o    2.637000      0.6446000       3.094000 0.9083000       2.179000      0.9149000      0.9152000       1.289000
  1 1 1     -22   17    6 o    3.379000      0.8139000       2.695000 1.129000       4.062000       1.173000      -1.367000       1.628000
  1 1 1     -21  -36    1 o    2.993000      0.7040000       3.428000 0.9801000       2.558000       1.011000      0.8697000       1.408000
  1 1 1     -21  -36    2 o    2.991000      0.7591000       2.918000 1.068000       3.064000       1.079000     -0.1463000       1.518000
  1 1 1     -21  -36    3 o    5.415000      0.6064000       6.450000 0.6862000       4.380000       1.000000       2.070000       1.213000
  1 1 1     -21  -36    4 o    4.141000      0.6767000       5.231000 0.7941000       3.051000       1.096000       2.180000       1.353000
  1 1 1     -21  -36    5 o    3.333000      0.7348000       3.597000 0.9916000       3.069000       1.085000      0.5282000       1.470000
  1 1 1     -21  -36    6 f    2.725000      0.7404000       2.850000 1.051000       2.601000       1.043000      0.2487000       1.481000
  1 1 1     -21  -36    7 o    2.934000      0.7490000       3.458000 1.096000       2.411000       1.022000       1.047000       1.498000
  1 1 1     -21  -36    8 o    3.377000       1.169000       3.377000 1.169000                  ?              ?              ?              ?
  1 1 1     -21  -35    1 o    4.170000      0.6401000       4.844000 0.7529000       3.496000       1.035000       1.348000       1.280000
  1 1 1     -21  -35    2 o    2.278000      0.6640000       1.974000 0.8585000       2.583000       1.013000     -0.6092000       1.328000
  1 1 1     -21  -35    3 o    4.068000      0.6783000       4.309000 0.9152000       3.827000       1.001000      0.4824000       1.357000
  1 1 1     -21  -35    4 o    3.234000      0.7343000       3.534000 1.003000       2.935000       1.072000      0.5992000       1.469000
  1 1 1     -21  -35    5 o    2.953000      0.7344000       2.736000 1.004000       3.170000       1.072000     -0.4345000       1.469000
  1 1 1     -21  -35    6 f    3.946000      0.6380000       4.913000 0.7166000       2.980000       1.056000       1.932000       1.276000
  1 1 1     -21  -35    7 o    2.997000      0.7022000       2.461000 0.9803000       3.532000       1.006000      -1.071000       1.404000
  1 1 1     -21  -35    8 o    3.869000      0.7156000       4.140000 0.9264000       3.598000       1.091000      0.5415000       1.431000
  1 1 1     -21  -35    9 o    2.209000      0.6794000       2.238000 0.9556000       2.180000      0.9659000      0.5783000E-01   1.359000
  1 1 1     -21  -35   10 o    4.237000      0.7337000       3.704000 1.099000       4.770000      0.9723000      -1.066000       1.467000
  1 1 1     -21  -35   11 o    2.793000      0.8281000       2.404000 1.108000       3.183000       1.231000     -0.7787000       1.656000
  1 1 1     -21  -34    1 o    2.943000      0.7104000       3.004000 0.9656000       2.881000       1.042000      0.1227000       1.421000
  1 1 1     -21  -34    2 o    1.900000      0.6117000       1.966000 0.8736000       1.834000      0.8564000      0.1312000       1.223000
  1 1 1     -21  -34    3 o    2.427000      0.6824000       2.064000 0.8782000       2.790000       1.045000     -0.7254000       1.365000
  1 1 1     -21  -34    4 o    2.459000      0.6845000       2.587000 0.9514000       2.332000      0.9845000      0.2542000       1.369000
  1 1 1     -21  -34    5 o    3.201000      0.6993000       3.771000 0.9677000       2.630000       1.010000       1.142000       1.399000
  1 1 1     -21  -34    6 o    2.305000      0.6756000       1.998000 0.8856000       2.611000       1.020000     -0.6126000       1.351000
  1 1 1     -21  -34    7 o    3.400000      0.6906000       2.765000 0.9575000       4.036000      0.9955000      -1.270000       1.381000
  1 1 1     -21  -34    8 o    2.660000      0.7065000       2.878000 0.9947000       2.442000       1.004000      0.4360000       1.413000
  1 1 1     -21  -34    9 o    2.390000      0.7017000       2.550000 1.019000       2.231000      0.9652000      0.3191000       1.403000
  1 1 1     -21  -34   10 o    2.323000      0.6800000       2.142000 0.9096000       2.503000       1.011000     -0.3610000       1.360000
  1 1 1     -21  -34   11 o    3.563000      0.8000000       3.540000 1.191000       3.587000       1.069000     -0.4722000E-01   1.600000
  1 1 1     -21  -34   12 o    2.489000      0.7007000       2.759000 1.004000       2.219000      0.9773000      0.5400000       1.401000
  1 1 1     -21  -34   13 o    2.297000      0.7017000       2.389000 1.007000       2.206000      0.9779000      0.1825000       1.403000
  1 1 1     -21  -33    1 o    3.251000      0.6580000       3.445000 0.9111000       3.057000      0.9496000      0.3882000       1.316000
  1 1 1     -21  -33    2 o    2.687000      0.6509000       2.302000 0.9124000       3.071000      0.9285000     -0.7686000       1.302000
  1 1 1     -21  -33    3 o    2.784000      0.6222000       3.524000 0.8853000       2.045000      0.8744000       1.479000       1.244000
  1 1 1     -21  -33    4 o    2.680000      0.6535000       3.077000 0.9118000       2.283000      0.9365000      0.7945000       1.307000
  1 1 1     -21  -33    5 o    2.532000      0.6697000       2.025000 0.8641000       3.039000       1.023000      -1.014000       1.339000
  1 1 1     -21  -33    6 o    3.006000      0.5838000       4.150000 0.7960000       1.863000      0.8542000       2.287000       1.168000
  1 1 1     -21  -33    7 o    2.710000      0.7026000       2.937000 1.014000       2.483000      0.9729000      0.4544000       1.405000
  1 1 1     -21  -33    8 o    4.837000      0.6107000       4.744000 0.8816000       4.931000      0.8452000     -0.1864000       1.221000
  1 1 1     -21  -33    9 o    2.763000      0.6844000       3.194000 0.9702000       2.332000      0.9654000      0.8621000       1.369000
  1 1 1     -21  -33   10 o    2.160000      0.6521000       1.851000 0.8507000       2.470000      0.9885000     -0.6190000       1.304000
  1 1 1     -21  -33   11 o    2.316000      0.6486000       2.826000 0.9731000       1.807000      0.8579000       1.019000       1.297000
  1 1 1     -21  -33   12 o    3.671000      0.7781000       4.197000 0.9306000       3.145000       1.247000       1.053000       1.556000
  1 1 1     -21  -33   13 f    3.237000      0.7636000       3.111000 1.026000       3.363000       1.132000     -0.2518000       1.527000
  1 1 1     -21  -33   14 o    2.981000      0.7389000       3.345000 1.052000       2.617000       1.038000      0.7280000       1.478000
  1 1 1     -21  -33   15 o    2.542000      0.7208000       2.464000 0.9740000       2.620000       1.063000     -0.1563000       1.442000
  1 1 1     -21  -32    1 o    3.283000      0.5896000       3.371000 0.7605000       3.196000      0.9012000      0.1750000       1.179000
  1 1 1     -21  -32    2 o    2.598000      0.6258000       2.636000 0.8507000       2.560000      0.9180000      0.7615000E-01   1.252000
  1 1 1     -21  -32    3 o    2.843000      0.6206000       3.159000 0.8319000       2.526000      0.9212000      0.6331000       1.241000
  1 1 1     -21  -32    4 o    2.815000      0.6285000       2.197000 0.8440000       3.434000      0.9315000      -1.237000       1.257000
  1 1 1     -21  -32    5 f    2.322000      0.6249000       1.708000 0.7652000       2.936000      0.9881000      -1.228000       1.250000
  1 1 1     -21  -32    6 o    3.751000      0.6258000       4.262000 0.7972000       3.239000      0.9649000       1.024000       1.252000
  1 1 1     -21  -32    7 o    4.764000      0.5777000       5.619000 0.6442000       3.908000      0.9592000       1.712000       1.155000
  1 1 1     -21  -32    8 o    2.045000      0.6084000       1.614000 0.7436000       2.477000      0.9632000     -0.8632000       1.217000
  1 1 1     -21  -32    9 o    2.480000      0.6652000       2.650000 0.9442000       2.311000      0.9373000      0.3385000       1.330000
  1 1 1     -21  -32   10 f    5.016000      0.5526000       4.450000 0.8363000       5.583000      0.7226000      -1.134000       1.105000
  1 1 1     -21  -32   11 o    2.825000      0.7005000       3.127000 0.9618000       2.524000       1.019000      0.6033000       1.401000
  1 1 1     -21  -32   12 o    2.224000      0.6750000       2.017000 0.9002000       2.431000       1.006000     -0.4137000       1.350000
  1 1 1     -21  -32   13 o    3.524000      0.7253000       3.351000 0.9796000       3.697000       1.070000     -0.3461000       1.451000
  1 1 1     -21  -32   14 o    3.776000      0.6400000       5.008000 0.7561000       2.543000       1.033000       2.465000       1.280000
  1 1 1     -21  -32   15 o    3.578000      0.6969000       3.182000 0.9724000       3.973000      0.9986000     -0.7907000       1.394000
  1 1 1     -21  -32   16 o    2.124000      0.6434000       1.486000 0.7237000       2.762000       1.064000      -1.276000       1.287000
  1 1 1     -21  -32   17 o    2.268000      0.6928000       2.165000 0.9396000       2.371000       1.018000     -0.2061000       1.386000
  1 1 1     -21  -31    1 o    4.013000      0.4907000       4.288000 0.6345000       3.738000      0.7487000      0.5505000      0.9814000
  1 1 1     -21  -31    2 o    2.250000      0.5962000       2.158000 0.8211000       2.342000      0.8648000     -0.1837000       1.192000
  1 1 1     -21  -31    3 o    1.852000      0.5653000       1.986000 0.8232000       1.717000      0.7750000      0.2696000       1.131000
  1 1 1     -21  -31    4 o    4.194000      0.5339000       4.839000 0.6287000       3.548000      0.8630000       1.291000       1.068000
  1 1 1     -21  -31    5 o    3.305000      0.6224000       2.809000 0.9057000       3.802000      0.8540000     -0.9926000       1.245000
  1 1 1     -21  -31    6 o    2.140000      0.6127000       2.532000 0.9254000       1.749000      0.8033000      0.7828000       1.225000
  1 1 1     -21  -31    7 o    3.613000      0.6275000       4.258000 0.7750000       2.967000      0.9872000       1.291000       1.255000
  1 1 1     -21  -31    8 o    3.095000      0.6340000       3.615000 0.8309000       2.575000      0.9579000       1.041000       1.268000
  1 1 1     -21  -31    9 o    1.845000      0.5832000       1.854000 0.8181000       1.836000      0.8315000      0.1769000E-01   1.166000
  1 1 1     -21  -31   10 o    3.789000      0.6280000       3.129000 0.9186000       4.448000      0.8565000      -1.319000       1.256000
  1 1 1     -21  -31   11 o    2.273000      0.6265000       1.549000 0.7289000       2.997000       1.019000      -1.448000       1.253000
  1 1 1     -21  -31   12 o    4.097000      0.6510000       4.099000 0.8620000       4.096000      0.9757000      0.3335000E-02   1.302000
  1 1 1     -21  -31   13 o    1.858000      0.6003000       1.734000 0.8017000       1.983000      0.8937000     -0.2491000       1.201000
  1 1 1     -21  -31   14 o    2.671000      0.7121000       2.951000 1.008000       2.391000       1.006000      0.5603000       1.424000
  1 1 1     -21  -31   15 o    2.838000      0.7185000       2.687000 1.001000       2.990000       1.031000     -0.3029000       1.437000
  1 1 1     -21  -31   16 o    2.023000      0.6325000       2.028000 0.8881000       2.017000      0.9009000      0.1100000E-01   1.265000
  1 1 1     -21  -31   17 o    3.017000      0.7289000       3.494000 1.030000       2.541000       1.031000      0.9534000       1.458000
  1 1 1     -21  -31   18 o    1.865000      0.6135000       1.836000 0.8557000       1.894000      0.8795000     -0.5793000E-01   1.227000
  1 1 1     -21  -31   19 o    1.998000      0.6738000       2.334000 1.086000       1.662000      0.7978000      0.6722000       1.348000
  1 1 1     -21  -30    1 o    3.224000      0.6889000       3.071000 0.8328000       3.378000       1.098000     -0.3067000       1.378000
  1 1 1     -21  -30    2 o    2.529000      0.5611000       3.498000 0.8543000       1.560000      0.7277000       1.939000       1.122000
  1 1 1     -21  -30    3 o    2.872000      0.6225000       2.339000 0.8567000       3.405000      0.9034000      -1.066000       1.245000
  1 1 1     -21  -30    4 o    4.374000      0.5241000       4.630000 0.6558000       4.117000      0.8176000      0.5130000       1.048000
  1 1 1     -21  -30    5 o    2.543000      0.6107000       1.766000 0.7897000       3.319000      0.9316000      -1.553000       1.221000
  1 1 1     -21  -30    6 o    2.525000      0.6493000       2.765000 0.9142000       2.286000      0.9225000      0.4787000       1.299000
  1 1 1     -21  -30    7 o    2.279000      0.6365000       2.393000 0.8875000       2.165000      0.9127000      0.2275000       1.273000
  1 1 1     -21  -30    8 o    2.177000      0.6175000       2.411000 0.8819000       1.942000      0.8644000      0.4687000       1.235000
  1 1 1     -21  -30    9 o    1.736000      0.5658000       1.459000 0.6983000       2.014000      0.8905000     -0.5552000       1.132000
  1 1 1     -21  -30   10 o    3.316000      0.6537000       3.747000 0.8561000       2.886000      0.9880000      0.8617000       1.307000
  1 1 1     -21  -30   11 f    3.825000      0.6066000       4.324000 0.7322000       3.326000      0.9672000      0.9978000       1.213000
  1 1 1     -21  -30   12 o    2.074000      0.6319000       1.827000 0.8216000       2.320000      0.9603000     -0.4923000       1.264000
  1 1 1     -21  -30   13 o    2.466000      0.6736000       2.660000 0.9487000       2.272000      0.9565000      0.3876000       1.347000
  1 1 1     -21  -30   14 o    3.085000      0.6445000       4.080000 0.8934000       2.090000      0.9292000       1.990000       1.289000
  1 1 1     -21  -30   15 o    3.036000      0.7199000       3.054000 0.9985000       3.018000       1.037000      0.3571000E-01   1.440000
  1 1 1     -21  -30   16 o    2.462000      0.6925000       2.546000 0.9674000       2.377000      0.9910000      0.1693000       1.385000
  1 1 1     -21  -30   17 o    2.944000      0.6822000       2.062000 0.9111000       3.826000       1.016000      -1.764000       1.364000
  1 1 1     -21  -30   18 o    2.074000      0.6456000       1.878000 0.8617000       2.270000      0.9616000     -0.3920000       1.291000
  1 1 1     -21  -30   19 o    3.571000      0.7013000       4.147000 0.9136000       2.994000       1.064000       1.153000       1.403000
  1 1 1     -21  -30   20 o    2.308000      0.6850000       2.125000 0.9191000       2.491000       1.016000     -0.3664000       1.370000
  1 1 1     -21  -29    1 o    5.003000      0.4266000       5.863000 0.4743000       4.142000      0.7093000       1.721000      0.8533000
  1 1 1     -21  -29    2 o    2.891000      0.5972000       3.043000 0.8219000       2.739000      0.8668000      0.3043000       1.194000
  1 1 1     -21  -29    3 o    5.821000      0.5465000       6.190000 0.5756000       5.452000      0.9291000      0.7381000       1.093000
  1 1 1     -21  -29    4 o    3.949000      0.6914000       4.230000 0.7775000       3.667000       1.144000      0.5626000       1.383000
  1 1 1     -21  -29    5 o    2.388000      0.6372000       2.611000 0.9382000       2.164000      0.8623000      0.4462000       1.274000
  1 1 1     -21  -29    6 o    2.786000      0.6438000       2.807000 0.8709000       2.765000      0.9483000      0.4163000E-01   1.288000
  1 1 1     -21  -29    7 o    4.390000      0.5509000       5.077000 0.5887000       3.703000      0.9314000       1.374000       1.102000
  1 1 1     -21  -29    8 o    6.038000      0.4019000       6.043000 0.5253000       6.032000      0.6084000      0.1128000E-01  0.8038000
  1 1 1     -21  -29    9 o    2.097000      0.6170000       2.113000 0.8515000       2.080000      0.8932000      0.3391000E-01   1.234000
  1 1 1     -21  -29   10 o    2.908000      0.6173000       1.866000 0.8188000       3.949000      0.9239000      -2.083000       1.235000
  1 1 1     -21  -29   11 o    7.033000      0.3891000       6.835000 0.5209000       7.232000      0.5782000     -0.3972000      0.7782000
  1 1 1     -21  -29   12 o    4.703000      0.5764000       5.188000 0.7163000       4.218000      0.9032000      0.9701000       1.153000
  1 1 1     -21  -29   13 o    2.221000      0.6466000       2.064000 0.8638000       2.378000      0.9623000     -0.3135000       1.293000
  1 1 1     -21  -29   14 o    3.414000      0.6716000       2.707000 0.9706000       4.121000      0.9286000      -1.414000       1.343000
  1 1 1     -21  -29   15 o    2.887000      0.6439000       1.900000 0.8401000       3.874000      0.9761000      -1.974000       1.288000
  1 1 1     -21  -29   16 o    4.816000      0.6071000       5.048000 0.7207000       4.583000      0.9772000      0.4649000       1.214000
  1 1 1     -21  -29   17 o    2.343000      0.6941000       2.383000 0.9700000       2.304000      0.9931000      0.7831000E-01   1.388000
  1 1 1     -21  -29   18 o    2.723000      0.6516000       3.732000 1.019000       1.714000      0.8121000       2.018000       1.303000
  1 1 1     -21  -29   19 o    2.391000      0.6725000       1.919000 0.8572000       2.863000       1.036000     -0.9439000       1.345000
  1 1 1     -21  -29   20 o    2.140000      0.6580000       2.144000 0.9201000       2.136000      0.9408000      0.7473000E-02   1.316000
  1 1 1     -21  -29   21 o    2.171000      0.6649000       2.211000 0.9413000       2.131000      0.9393000      0.7954000E-01   1.330000
  1 1 1     -21  -28    1 o    7.532000      0.5145000       8.568000 0.8085000       6.497000      0.6367000       2.071000       1.029000
  1 1 1     -21  -28    2 o    6.121000      0.4263000       6.560000 0.4419000       5.682000      0.7293000      0.8775000      0.8527000
  1 1 1     -21  -28    3 o    8.673000      0.2880000       8.952000 0.4006000       8.393000      0.4138000      0.5590000      0.5760000
  1 1 1     -21  -28    4 o    1.826000      0.5555000       2.062000 0.8328000       1.591000      0.7353000      0.4708000       1.111000
  1 1 1     -21  -28    5 o    4.696000      0.4661000       4.832000 0.6371000       4.560000      0.6806000      0.2717000      0.9323000
  1 1 1     -21  -28    6 o    6.517000      0.4795000       6.324000 0.5806000       6.710000      0.7632000     -0.3855000      0.9589000
  1 1 1     -21  -28    7 o    3.946000      0.7234000       4.062000 0.7981000       3.830000       1.207000      0.2326000       1.447000
  1 1 1     -21  -28    8 o    2.691000      0.6145000       3.261000 0.8538000       2.120000      0.8839000       1.141000       1.229000
  1 1 1     -21  -28    9 o    2.027000      0.6053000       1.987000 0.8265000       2.066000      0.8847000     -0.7848000E-01   1.211000
  1 1 1     -21  -28   10 o    3.843000      0.5906000       3.220000 0.8975000       4.467000      0.7679000      -1.248000       1.181000
  1 1 1     -21  -28   11 f    3.852000      0.6144000       3.918000 0.8010000       3.785000      0.9320000      0.1337000       1.229000
  1 1 1     -21  -28   12 o    5.481000      0.4517000       5.553000 0.5835000       5.408000      0.6897000      0.1443000      0.9034000
  1 1 1     -21  -28   13 o    2.818000      0.6895000       3.106000 0.9508000       2.531000      0.9987000      0.5756000       1.379000
  1 1 1     -21  -28   14 o    4.738000      0.5856000       5.519000 0.6356000       3.957000      0.9837000       1.562000       1.171000
  1 1 1     -21  -28   15 f    2.563000      0.6967000       2.440000 0.9352000       2.687000       1.033000     -0.2472000       1.393000
  1 1 1     -21  -28   16 o    5.971000      0.4947000       6.441000 0.6219000       5.501000      0.7695000      0.9405000      0.9894000
  1 1 1     -21  -28   17 o    2.523000      0.6947000       2.558000 0.9832000       2.488000      0.9818000      0.7064000E-01   1.389000
  1 1 1     -21  -28   18 o    4.169000      0.6539000       4.482000 0.8368000       3.857000       1.005000      0.6244000       1.308000
  1 1 1     -21  -28   19 o    2.086000      0.6235000       2.605000 0.9855000       1.567000      0.7640000       1.038000       1.247000
  1 1 1     -21  -28   20 o    2.614000      0.6567000       1.681000 0.8033000       3.548000       1.039000      -1.867000       1.313000
  1 1 1     -21  -28   21 o    2.376000      0.6939000       2.089000 0.9186000       2.663000       1.040000     -0.5736000       1.388000
  1 1 1     -21  -28   22 o    3.113000      0.6707000       4.141000 0.9515000       2.084000      0.9455000       2.057000       1.341000
  1 1 1     -21  -27    1 o    1.475000      0.4749000       1.767000 0.7490000       1.183000      0.5842000      0.5841000      0.9499000
  1 1 1     -21  -27    2 o    3.711000      0.4930000       4.117000 0.5726000       3.304000      0.8028000      0.8133000      0.9860000
  1 1 1     -21  -27    3 o    4.680000      0.6813000       4.154000 1.145000       5.206000      0.7389000      -1.052000       1.363000
  1 1 1     -21  -27    4 o    6.206000      0.5564000       6.312000 0.8742000       6.100000      0.6885000      0.2113000       1.113000
  1 1 1     -21  -27    5 o    12.97000      0.3302000       13.02000 0.3842000       12.91000      0.5371000      0.1131000      0.6604000
  1 1 1     -21  -27    6 o    9.425000      0.2826000       9.146000 0.3921000       9.703000      0.4070000     -0.5572000      0.5651000
  1 1 1     -21  -27    7 o    1.931000      0.5661000       2.171000 0.8291000       1.690000      0.7709000      0.4815000       1.132000
  1 1 1     -21  -27    8 f    3.908000      0.6879000       4.585000 0.7564000       3.231000       1.149000       1.354000       1.376000
  1 1 1     -21  -27    9 o    2.776000      0.6816000       3.409000 0.9301000       2.144000      0.9967000       1.265000       1.363000
  1 1 1     -21  -27   10 o    2.485000      0.6258000       1.915000 0.7975000       3.055000      0.9647000      -1.140000       1.252000
  1 1 1     -21  -27   11 o    2.104000      0.6111000       2.357000 0.8917000       1.852000      0.8358000      0.5050000       1.222000
  1 1 1     -21  -27   12 o    3.065000      0.6503000       2.231000 0.8767000       3.900000      0.9607000      -1.669000       1.301000
  1 1 1     -21  -27   13 o    2.650000      0.6792000       2.741000 0.9446000       2.559000      0.9763000      0.1819000       1.358000
  1 1 1     -21  -27   14 o    1.797000      0.5776000       1.704000 0.7806000       1.891000      0.8515000     -0.1873000       1.155000
  1 1 1     -21  -27   15 o    3.902000      0.5996000       5.252000 0.6742000       2.552000      0.9918000       2.700000       1.199000
  1 1 1     -21  -27   16 o    4.007000      0.6332000       4.614000 0.7516000       3.399000       1.019000       1.215000       1.266000
  1 1 1     -21  -27   17 o    4.943000      0.5958000       5.570000 0.6709000       4.315000      0.9849000       1.255000       1.192000
  1 1 1     -21  -27   18 o    3.296000      0.7522000       3.062000 1.050000       3.530000       1.077000     -0.4680000       1.504000
  1 1 1     -21  -27   19 o    2.182000      0.6647000       2.351000 0.9706000       2.013000      0.9085000      0.3374000       1.329000
  1 1 1     -21  -27   20 o    5.001000      0.5991000       4.799000 0.8369000       5.202000      0.8574000     -0.4024000       1.198000
  1 1 1     -21  -27   21 o    3.297000      0.7565000       3.197000 1.050000       3.397000       1.089000     -0.2003000       1.513000
  1 1 1     -21  -27   22 o    2.309000      0.6975000       2.262000 0.9720000       2.356000       1.001000     -0.9458000E-01   1.395000
  1 1 1     -21  -27   23 o    2.834000      0.7191000       2.395000 0.9552000       3.273000       1.075000     -0.8778000       1.438000
  1 1 1     -21  -26    1 o    1.653000      0.5116000       1.571000 0.6976000       1.736000      0.7484000     -0.1653000       1.023000
  1 1 1     -21  -26    2 o    2.874000      0.5545000       3.185000 0.6864000       2.562000      0.8711000      0.6228000       1.109000
  1 1 1     -21  -26    3 o    1.951000      0.5492000       2.151000 0.7724000       1.751000      0.7810000      0.3995000       1.098000
  1 1 1     -21  -26    4 o    9.381000      0.2809000       9.176000 0.3882000       9.586000      0.4061000     -0.4100000      0.5618000
  1 1 1     -21  -26    5 o    9.623000      0.4311000       10.11000 0.6545000       9.138000      0.5614000      0.9704000      0.8623000
  1 1 1     -21  -26    6 o    5.582000      0.6313000       6.183000 0.9297000       4.981000      0.8542000       1.202000       1.263000
  1 1 1     -21  -26    7 o    2.928000      0.7892000       2.998000 1.178000       2.857000       1.051000      0.1410000       1.578000
  1 1 1     -21  -26    8 o    3.606000      0.5720000       3.394000 0.7677000       3.819000      0.8480000     -0.4257000       1.144000
  1 1 1     -21  -26    9 f    4.835000      0.4534000       4.943000 0.5874000       4.728000      0.6907000      0.2147000      0.9067000
  1 1 1     -21  -26   10 o    4.564000      0.7111000       4.819000 0.7540000       4.309000       1.206000      0.5098000       1.422000
  1 1 1     -21  -26   11 o    4.392000      0.7189000       4.892000 0.7094000       3.892000       1.251000      0.9998000       1.438000
  1 1 1     -21  -26   12 o    10.27000      0.3134000       10.31000 0.4382000       10.24000      0.4482000      0.6582000E-01  0.6268000
  1 1 1     -21  -26   13 o    4.118000      0.5881000       5.145000 0.6316000       3.090000      0.9921000       2.055000       1.176000
  1 1 1     -21  -26   14 o    2.506000      0.6392000       1.774000 0.8050000       3.239000      0.9932000      -1.465000       1.278000
  1 1 1     -21  -26   15 o    2.139000      0.6313000       1.805000 0.8071000       2.473000      0.9711000     -0.6677000       1.263000
  1 1 1     -21  -26   16 o    4.814000      0.6035000       5.040000 0.7588000       4.588000      0.9386000      0.4524000       1.207000
  1 1 1     -21  -26   17 o    3.355000      0.7382000       3.328000 1.010000       3.382000       1.077000     -0.5415000E-01   1.476000
  1 1 1     -21  -26   18 o    2.511000      0.7101000       2.578000 0.9941000       2.444000       1.014000      0.1337000       1.420000
  1 1 1     -21  -26   19 o    2.327000      0.6547000       1.730000 0.8010000       2.924000       1.036000      -1.194000       1.309000
  1 1 1     -21  -26   20 o    3.146000      0.7199000       2.942000 0.9886000       3.350000       1.047000     -0.4077000       1.440000
  1 1 1     -21  -26   21 o    3.595000      0.6896000       4.191000 0.8951000       3.000000       1.049000       1.191000       1.379000
  1 1 1     -21  -26   22 o    2.166000      0.6491000       2.138000 0.9081000       2.194000      0.9277000     -0.5600000E-01   1.298000
  1 1 1     -21  -26   23 f    2.336000      0.6867000       2.328000 0.9717000       2.343000      0.9704000     -0.1556000E-01   1.373000
  1 1 1     -21  -26   24 o    2.329000      0.6854000       1.905000 0.8683000       2.752000       1.061000     -0.8463000       1.371000
  1 1 1     -21  -25    1 o    5.179000      0.3567000       5.332000 0.4388000       5.026000      0.5625000      0.3059000      0.7134000
  1 1 1     -21  -25    2 o    4.551000      0.3990000       4.493000 0.5396000       4.610000      0.5880000     -0.1174000      0.7981000
  1 1 1     -21  -25    3 o    1.910000      0.5477000       2.113000 0.7932000       1.706000      0.7555000      0.4066000       1.095000
  1 1 1     -21  -25    4 o    4.314000      0.4574000       4.782000 0.5215000       3.847000      0.7515000      0.9351000      0.9148000
  1 1 1     -21  -25    5 o    6.214000      0.3323000       5.980000 0.4541000       6.449000      0.4853000     -0.4686000      0.6646000
  1 1 1     -21  -25    6 o    4.367000      0.4548000       4.308000 0.5928000       4.426000      0.6898000     -0.1179000      0.9095000
  1 1 1     -21  -25    7 f    4.258000      0.4294000       3.230000 0.6451000       5.286000      0.5668000      -2.056000      0.8587000
  1 1 1     -21  -25    8 o    2.739000      0.7616000       2.822000 1.132000       2.656000       1.019000      0.1662000       1.523000
  1 1 1     -21  -25    9 o    2.261000      0.7065000       2.420000 1.062000       2.102000      0.9318000      0.3176000       1.413000
  1 1 1     -21  -25   10 o    2.200000      0.6158000       1.803000 0.7804000       2.598000      0.9529000     -0.7948000       1.232000
  1 1 1     -21  -25   11 o    8.219000      0.3677000       8.232000 0.5588000       8.206000      0.4780000      0.2601000E-01  0.7354000
  1 1 1     -21  -25   12 o    9.695000      0.4440000       9.216000 0.5455000       10.17000      0.7007000     -0.9575000      0.8880000
  1 1 1     -21  -25   13 o    2.104000      0.6719000       1.865000 0.8527000       2.343000       1.039000     -0.4777000       1.344000
  1 1 1     -21  -25   14 o    9.615000      0.3174000       9.517000 0.4341000       9.713000      0.4631000     -0.1958000      0.6347000
  1 1 1     -21  -25   15 o    8.821000      0.3498000       8.794000 0.4734000       8.848000      0.5152000     -0.5341000E-01  0.6996000
  1 1 1     -21  -25   16 o    2.722000      0.6720000       2.069000 0.8769000       3.375000       1.019000      -1.306000       1.344000
  1 1 1     -21  -25   17 o    2.525000      0.6809000       2.614000 0.9493000       2.435000      0.9764000      0.1789000       1.362000
  1 1 1     -21  -25   18 o    3.371000      0.6977000       3.457000 0.9440000       3.285000       1.028000      0.1720000       1.395000
  1 1 1     -21  -25   19 o    2.275000      0.6764000       2.119000 0.9042000       2.431000       1.006000     -0.3124000       1.353000
  1 1 1     -21  -25   20 o    2.387000      0.7019000       2.015000 0.8946000       2.760000       1.082000     -0.7451000       1.404000
  1 1 1     -21  -25   21 o    2.254000      0.6892000       2.111000 0.9289000       2.397000       1.018000     -0.2851000       1.378000
  1 1 1     -21  -25   22 o    2.559000      0.6941000       3.014000 1.021000       2.103000      0.9408000      0.9114000       1.388000
  1 1 1     -21  -25   23 f    2.914000      0.7253000       2.409000 0.9715000       3.420000       1.077000      -1.011000       1.451000
  1 1 1     -21  -25   24 o    3.628000      0.6676000       2.739000 1.015000       4.517000      0.8672000      -1.778000       1.335000
  1 1 1     -21  -25   25 o    5.130000      0.5514000       5.237000 0.7028000       5.022000      0.8499000      0.2147000       1.103000
  1 1 1     -21  -24    1 o    9.615000      0.2469000       9.637000 0.3400000       9.593000      0.3582000      0.4452000E-01  0.4939000
  1 1 1     -21  -24    2 o    13.14000      0.2605000       13.21000 0.3619000       13.08000      0.3748000      0.1337000      0.5210000
  1 1 1     -21  -24    3 o    6.697000      0.3149000       6.739000 0.4127000       6.656000      0.4757000      0.8283000E-01  0.6298000
  1 1 1     -21  -24    4 o    5.841000      0.3369000       5.452000 0.4824000       6.231000      0.4704000     -0.7789000      0.6738000
  1 1 1     -21  -24    5 o    7.100000      0.3025000       6.584000 0.4368000       7.617000      0.4185000      -1.033000      0.6049000
  1 1 1     -21  -24    6 o    7.317000      0.3072000       7.776000 0.4052000       6.858000      0.4618000      0.9177000      0.6144000
  1 1 1     -21  -24    7 o    8.333000      0.2935000       7.919000 0.4190000       8.748000      0.4110000     -0.8290000      0.5869000
  1 1 1     -21  -24    8 o    4.175000      0.5800000       3.130000 0.8350000       5.220000      0.8052000      -2.090000       1.160000
  1 1 1     -21  -24    9 o    3.463000      0.7067000       3.167000 1.176000       3.760000      0.7837000     -0.5933000       1.413000
  1 1 1     -21  -24   10 o    2.615000      0.7465000       2.483000 1.078000       2.746000       1.033000     -0.2630000       1.493000
  1 1 1     -21  -24   11 o    8.578000      0.3193000       8.516000 0.4360000       8.641000      0.4667000     -0.1251000      0.6387000
  1 1 1     -21  -24   12 o    2.407000      0.5905000       3.104000 0.8743000       1.709000      0.7940000       1.395000       1.181000
  1 1 1     -21  -24   13 o    9.460000      0.4733000       9.257000 0.8304000       9.664000      0.4546000     -0.4066000      0.9467000
  1 1 1     -21  -24   14 o    7.789000      0.4698000       8.038000 0.5707000       7.540000      0.7465000      0.4976000      0.9397000
  1 1 1     -21  -24   15 o    6.330000      0.4800000       7.376000 0.5918000       5.283000      0.7560000       2.093000      0.9601000
  1 1 1     -21  -24   16 o    6.194000      0.4432000       5.861000 0.6329000       6.527000      0.6206000     -0.6659000      0.8864000
  1 1 1     -21  -24   17 o    4.892000      0.5818000       5.358000 0.7099000       4.426000      0.9219000      0.9327000       1.164000
  1 1 1     -21  -24   18 o    5.219000      0.5161000       5.424000 0.7072000       5.014000      0.7519000      0.4095000       1.032000
  1 1 1     -21  -24   19 o    6.899000      0.4150000       7.362000 0.5194000       6.436000      0.6474000      0.9252000      0.8300000
  1 1 1     -21  -24   20 o    4.504000      0.6204000       3.855000 0.9194000       5.154000      0.8331000      -1.299000       1.241000
  1 1 1     -21  -24   21 o    3.376000      0.7107000       2.912000 1.016000       3.841000      0.9936000     -0.9294000       1.421000
  1 1 1     -21  -24   22 o    2.291000      0.6703000       1.924000 0.8734000       2.658000       1.017000     -0.7336000       1.341000
  1 1 1     -21  -24   23 o    2.515000      0.7098000       2.463000 0.9890000       2.568000       1.019000     -0.1048000       1.420000
  1 1 1     -21  -24   24 o    2.240000      0.6720000       2.331000 0.9692000       2.149000      0.9312000      0.1822000       1.344000
  1 1 1     -21  -24   25 o    2.752000      0.7276000       2.926000 1.010000       2.578000       1.047000      0.3483000       1.455000
  1 1 1     -21  -24   26 o    2.148000      0.9164000       2.148000 0.9164000                  ?              ?              ?              ?
  1 1 1     -21  -23    1 o    9.529000      0.2511000       9.543000 0.3504000       9.514000      0.3596000      0.2955000E-01  0.5021000
  1 1 1     -21  -23    2 o    9.880000      0.2575000       9.796000 0.3536000       9.965000      0.3743000     -0.1690000      0.5149000
  1 1 1     -21  -23    3 o    8.602000      0.2662000       8.603000 0.3568000       8.601000      0.3952000      0.1755000E-02  0.5324000
  1 1 1     -21  -23    4 f    7.979000      0.2820000       8.471000 0.3735000       7.487000      0.4228000      0.9844000      0.5641000
  1 1 1     -21  -23    5 o    1.824000      0.5409000       1.898000 0.7788000       1.750000      0.7507000      0.1474000       1.082000
  1 1 1     -21  -23    6 o    5.022000      0.3975000       5.164000 0.5493000       4.880000      0.5748000      0.2834000      0.7951000
  1 1 1     -21  -23    7 o    8.271000      0.2968000       8.126000 0.4230000       8.417000      0.4163000     -0.2903000      0.5935000
  1 1 1     -21  -23    8 o    6.993000      0.3310000       7.298000 0.4505000       6.687000      0.4850000      0.6104000      0.6620000
  1 1 1     -21  -23    9 o    4.254000      0.4895000       3.355000 0.7785000       5.154000      0.5937000      -1.799000      0.9790000
  1 1 1     -21  -23   10 o    5.818000      0.3750000       5.648000 0.5346000       5.988000      0.5260000     -0.3395000      0.7500000
  1 1 1     -21  -23   11 o    5.438000      0.6296000       5.388000 0.9582000       5.488000      0.8170000     -0.9966000E-01   1.259000
  1 1 1     -21  -23   12 o    6.757000      0.5699000       6.804000 0.8963000       6.711000      0.7040000      0.9279000E-01   1.140000
  1 1 1     -21  -23   13 o    11.60000      0.3048000       11.21000 0.4183000       11.99000      0.4434000     -0.7745000      0.6096000
  1 1 1     -21  -23   14 o    11.10000      0.4334000       10.58000 0.7398000       11.63000      0.4516000      -1.058000      0.8668000
  1 1 1     -21  -23   15 o    8.209000      0.4599000       7.670000 0.5936000       8.747000      0.7027000      -1.077000      0.9199000
  1 1 1     -21  -23   16 o    9.421000      0.4508000       8.571000 0.5622000       10.27000      0.7048000      -1.700000      0.9015000
  1 1 1     -21  -23   17 o    4.755000      0.5924000       4.919000 0.7529000       4.590000      0.9148000      0.3285000       1.185000
  1 1 1     -21  -23   18 o    7.361000      0.4112000       7.302000 0.5739000       7.420000      0.5890000     -0.1180000      0.8224000
  1 1 1     -21  -23   19 o    7.431000      0.3927000       7.106000 0.5566000       7.756000      0.5541000     -0.6505000      0.7854000
  1 1 1     -21  -23   20 o    2.723000      0.7121000       2.673000 0.9767000       2.773000       1.036000     -0.1005000       1.424000
  1 1 1     -21  -23   21 o    4.111000      0.6679000       5.251000 0.7633000       2.971000       1.096000       2.280000       1.336000
  1 1 1     -21  -23   22 o    2.245000      0.6788000       2.225000 0.9445000       2.266000      0.9751000     -0.4066000E-01   1.358000
  1 1 1     -21  -23   23 o    3.376000      0.7626000       3.484000 1.062000       3.269000       1.095000      0.2153000       1.525000
  1 1 1     -21  -23   24 o    3.596000      0.6787000       2.957000 1.018000       4.235000      0.8984000      -1.278000       1.357000
  1 1 1     -21  -23   25 f    3.226000      0.6731000       3.913000 0.8832000       2.540000       1.016000       1.373000       1.346000
  1 1 1     -21  -23   26 o    2.269000      0.6705000       2.029000 0.9000000       2.509000      0.9941000     -0.4801000       1.341000
  1 1 1     -21  -23   27 o    2.752000      0.7164000       2.729000 0.9984000       2.775000       1.028000     -0.4550000E-01   1.433000
  1 1 1     -21  -22    1 o    2.362000      0.5589000       2.175000 0.7763000       2.549000      0.8044000     -0.3744000       1.118000
  1 1 1     -21  -22    2 o    4.208000      0.4163000       4.259000 0.5050000       4.156000      0.6621000      0.1027000      0.8327000
  1 1 1     -21  -22    3 o    6.589000      0.3087000       6.662000 0.4084000       6.517000      0.4629000      0.1446000      0.6173000
  1 1 1     -21  -22    4 o    2.298000      0.5771000       2.113000 0.8046000       2.483000      0.8275000     -0.3699000       1.154000
  1 1 1     -21  -22    5 o    10.96000      0.2607000       11.48000 0.3693000       10.44000      0.3681000       1.042000      0.5214000
  1 1 1     -21  -22    6 o    7.431000      0.2947000       7.345000 0.4188000       7.517000      0.4147000     -0.1712000      0.5893000
  1 1 1     -21  -22    7 o    3.044000      0.5900000       3.221000 0.7819000       2.866000      0.8838000      0.3555000       1.180000
  1 1 1     -21  -22    8 o    3.830000      0.5280000       3.676000 0.7486000       3.984000      0.7446000     -0.3079000       1.056000
  1 1 1     -21  -22    9 f    8.639000      0.3030000       8.934000 0.4031000       8.343000      0.4525000      0.5911000      0.6060000
  1 1 1     -21  -22   10 o    6.261000      0.3571000       6.372000 0.4801000       6.150000      0.5287000      0.2226000      0.7142000
  1 1 1     -21  -22   11 o    5.678000      0.4147000       5.764000 0.5608000       5.592000      0.6112000      0.1721000      0.8295000
  1 1 1     -21  -22   12 o    8.166000      0.4996000       7.702000 0.7726000       8.630000      0.6336000     -0.9286000      0.9992000
  1 1 1     -21  -22   13 o    3.586000      0.7631000       3.919000 1.110000       3.253000       1.047000      0.6655000       1.526000
  1 1 1     -21  -22   14 o    14.68000      0.3022000       14.85000 0.4224000       14.51000      0.4322000      0.3403000      0.6043000
  1 1 1     -21  -22   15 o    4.794000      0.5511000       5.316000 0.6427000       4.273000      0.8954000       1.043000       1.102000
  1 1 1     -21  -22   16 o    2.262000      0.7138000       1.910000 0.8651000       2.613000       1.136000     -0.7027000       1.428000
  1 1 1     -21  -22   17 o    5.212000      0.7333000       5.083000 0.9333000       5.342000       1.131000     -0.2581000       1.467000
  1 1 1     -21  -22   18 o    5.033000      0.5969000       6.268000 0.6018000       3.798000       1.031000       2.470000       1.194000
  1 1 1     -21  -22   19 o    2.004000      0.6356000       1.931000 0.8713000       2.077000      0.9255000     -0.1465000       1.271000
  1 1 1     -21  -22   20 o    6.524000      0.4470000       6.243000 0.6232000       6.805000      0.6409000     -0.5621000      0.8940000
  1 1 1     -21  -22   21 o    3.403000      0.7571000       3.291000 1.031000       3.516000       1.109000     -0.2246000       1.514000
  1 1 1     -21  -22   22 o    2.448000      0.6953000       2.504000 0.9839000       2.392000      0.9826000      0.1120000       1.391000
  1 1 1     -21  -22   23 o    5.185000      0.5651000       5.749000 0.7046000       4.621000      0.8838000       1.128000       1.130000
  1 1 1     -21  -22   24 o    2.817000      0.7303000       2.816000 1.034000       2.817000       1.031000     -0.4773000E-03   1.461000
  1 1 1     -21  -22   25 o    2.618000      0.7051000       2.095000 0.9232000       3.141000       1.066000      -1.046000       1.410000
  1 1 1     -21  -22   26 o    3.519000      0.7317000       3.654000 0.9973000       3.384000       1.071000      0.2708000       1.463000
  1 1 1     -21  -22   27 o    4.195000      0.6314000       3.557000 0.9612000       4.833000      0.8189000      -1.276000       1.263000
  1 1 1     -21  -21    1 o    6.395000      0.2977000       6.347000 0.3905000       6.443000      0.4494000     -0.9647000E-01  0.5954000
  1 1 1     -21  -21    2 o    6.707000      0.2995000       7.123000 0.3954000       6.291000      0.4500000      0.8318000      0.5990000
  1 1 1     -21  -21    3 o    8.841000      0.2641000       8.779000 0.3701000       8.902000      0.3769000     -0.1231000      0.5282000
  1 1 1     -21  -21    4 o    7.690000      0.2795000       7.729000 0.3766000       7.650000      0.4132000      0.7953000E-01  0.5591000
  1 1 1     -21  -21    5 o    9.250000      0.2678000       9.414000 0.3651000       9.086000      0.3917000      0.3287000      0.5355000
  1 1 1     -21  -21    6 o    2.488000      0.5986000       2.595000 0.8058000       2.381000      0.8856000      0.2134000       1.197000
  1 1 1     -21  -21    7 o    10.67000      0.2654000       10.79000 0.3721000       10.55000      0.3787000      0.2446000      0.5309000
  1 1 1     -21  -21    8 o    8.163000      0.2939000       8.545000 0.4078000       7.782000      0.4233000      0.7627000      0.5878000
  1 1 1     -21  -21    9 o    10.14000      0.2842000       9.997000 0.4035000       10.28000      0.4003000     -0.2817000      0.5684000
  1 1 1     -21  -21   10 o    9.599000      0.2864000       9.419000 0.4077000       9.779000      0.4024000     -0.3602000      0.5728000
  1 1 1     -21  -21   11 o    8.509000      0.3013000       8.660000 0.4153000       8.358000      0.4365000      0.3026000      0.6025000
  1 1 1     -21  -21   12 o    3.815000      0.5448000       3.246000 0.8086000       4.384000      0.7303000      -1.138000       1.090000
  1 1 1     -21  -21   13 o    10.33000      0.3011000       10.08000 0.4154000       10.58000      0.4358000     -0.5012000      0.6021000
  1 1 1     -21  -21   14 o    8.709000      0.5026000       8.771000 0.7652000       8.647000      0.6519000      0.1246000       1.005000
  1 1 1     -21  -21   15 o    2.432000      0.6394000       2.734000 0.9318000       2.131000      0.8759000      0.6038000       1.279000
  1 1 1     -21  -21   16 o    5.000000      0.5438000       5.874000 0.5964000       4.126000      0.9094000       1.747000       1.088000
  1 1 1     -21  -21   17 o    2.909000      0.7814000       3.262000 1.092000       2.556000       1.119000      0.7054000       1.563000
  1 1 1     -21  -21   18 o    6.560000      0.6621000       7.298000 0.7020000       5.822000       1.123000       1.476000       1.324000
  1 1 1     -21  -21   19 o    8.861000      0.3604000       8.941000 0.4908000       8.781000      0.5280000      0.1604000      0.7209000
  1 1 1     -21  -21   20 o    4.084000      0.6755000       3.321000 1.025000       4.846000      0.8800000      -1.525000       1.351000
  1 1 1     -21  -21   21 o    2.220000      0.6685000       2.322000 0.9504000       2.118000      0.9404000      0.2042000       1.337000
  1 1 1     -21  -21   22 o    5.793000      0.5076000       5.041000 0.7477000       6.545000      0.6869000      -1.504000       1.015000
  1 1 1     -21  -21   23 o    3.380000      0.7299000       3.033000 1.028000       3.726000       1.037000     -0.6928000       1.460000
  1 1 1     -21  -21   24 o    4.176000      0.7168000       4.992000 0.8712000       3.360000       1.139000       1.632000       1.434000
  1 1 1     -21  -21   25 o    2.386000      0.6893000       2.333000 0.9651000       2.439000      0.9845000     -0.1062000       1.379000
  1 1 1     -21  -21   26 o    2.299000      0.6880000       2.265000 0.9554000       2.334000      0.9902000     -0.6987000E-01   1.376000
  1 1 1     -21  -21   27 o    4.093000      0.6455000       4.930000 0.8076000       3.256000       1.007000       1.675000       1.291000
  1 1 1     -21  -21   28 o    3.809000      0.6745000       4.136000 0.8898000       3.482000       1.014000      0.6542000       1.349000
  1 1 1     -21  -20    1 o    2.493000      0.5526000       2.251000 0.7885000       2.734000      0.7745000     -0.4828000       1.105000
  1 1 1     -21  -20    2 o    1.971000      0.5342000       2.039000 0.7526000       1.904000      0.7584000      0.1350000       1.068000
  1 1 1     -21  -20    3 o    2.765000      0.5616000       2.094000 0.7851000       3.436000      0.8033000      -1.343000       1.123000
  1 1 1     -21  -20    4 o    1.925000      0.5423000       2.209000 0.7912000       1.641000      0.7419000      0.5676000       1.085000
  1 1 1     -21  -20    5 o    6.055000      0.3383000       5.732000 0.4735000       6.379000      0.4834000     -0.6471000      0.6767000
  1 1 1     -21  -20    6 f    6.167000      0.3405000       6.107000 0.4728000       6.228000      0.4901000     -0.1209000      0.6810000
  1 1 1     -21  -20    7 o    8.338000      0.2960000       9.102000 0.3831000       7.574000      0.4514000       1.529000      0.5920000
  1 1 1     -21  -20    8 o    2.580000      0.5686000       1.727000 0.7449000       3.433000      0.8594000      -1.706000       1.137000
  1 1 1     -21  -20    9 o    3.002000      0.5966000       3.237000 0.8041000       2.767000      0.8816000      0.4692000       1.193000
  1 1 1     -21  -20   10 o    7.121000      0.3228000       7.364000 0.4488000       6.878000      0.4641000      0.4861000      0.6456000
  1 1 1     -21  -20   11 o    9.418000      0.2807000       9.123000 0.3881000       9.713000      0.4056000     -0.5900000      0.5614000
  1 1 1     -21  -20   12 o    6.390000      0.3716000       5.766000 0.5421000       7.013000      0.5083000      -1.248000      0.7431000
  1 1 1     -21  -20   13 o    9.140000      0.3085000       9.368000 0.4276000       8.913000      0.4448000      0.4555000      0.6170000
  1 1 1     -21  -20   14 o    1.904000      0.5815000       1.981000 0.8367000       1.826000      0.8079000      0.1548000       1.163000
  1 1 1     -21  -20   15 o    7.566000      0.5086000       7.842000 0.7414000       7.290000      0.6964000      0.5515000       1.017000
  1 1 1     -21  -20   16 o    4.211000      0.6148000       4.412000 0.8149000       4.011000      0.9207000      0.4012000       1.230000
  1 1 1     -21  -20   17 o    5.152000      0.5118000       5.557000 0.6629000       4.746000      0.7799000      0.8108000       1.024000
  1 1 1     -21  -20   18 o    2.418000      0.7463000       2.112000 0.9447000       2.724000       1.156000     -0.6119000       1.493000
  1 1 1     -21  -20   19 o    6.680000      0.6277000       7.116000 0.7423000       6.244000       1.012000      0.8721000       1.255000
  1 1 1     -21  -20   20 o    7.434000      0.4042000       7.224000 0.5642000       7.645000      0.5789000     -0.4211000      0.8083000
  1 1 1     -21  -20   21 o    4.028000      0.6580000       4.388000 0.8315000       3.668000       1.020000      0.7207000       1.316000
  1 1 1     -21  -20   22 o    4.258000      0.6758000       4.121000 0.9360000       4.396000      0.9751000     -0.2752000       1.352000
  1 1 1     -21  -20   23 o    7.262000      0.4491000       7.122000 0.6258000       7.401000      0.6442000     -0.2798000      0.8981000
  1 1 1     -21  -20   24 o    4.582000      0.6593000       3.288000 1.054000       5.875000      0.7930000      -2.586000       1.319000
  1 1 1     -21  -20   25 o    3.416000      0.6521000       4.703000 0.9037000       2.129000      0.9402000       2.574000       1.304000
  1 1 1     -21  -20   26 o    4.153000      0.7160000       4.166000 1.004000       4.141000       1.021000      0.2550000E-01   1.432000
  1 1 1     -21  -20   27 o    3.289000      0.9906000       3.289000 0.9906000                  ?              ?              ?              ?
  1 1 1     -21  -20   28 o    3.095000      0.7484000       3.255000 1.056000       2.936000       1.061000      0.3194000       1.497000
  1 1 1     -21  -19    1 o    8.048000      0.2624000       8.112000 0.3644000       7.985000      0.3777000      0.1264000      0.5248000
  1 1 1     -21  -19    2 o    3.251000      0.4940000       2.932000 0.7459000       3.569000      0.6478000     -0.6367000      0.9879000
  1 1 1     -21  -19    3 o    4.443000      0.3813000       4.424000 0.5174000       4.462000      0.5603000     -0.3737000E-01  0.7627000
  1 1 1     -21  -19    4 o    2.277000      0.5636000       2.475000 0.7691000       2.080000      0.8240000      0.3950000       1.127000
  1 1 1     -21  -19    5 o    8.959000      0.2647000       9.269000 0.3506000       8.649000      0.3968000      0.6197000      0.5295000
  1 1 1     -21  -19    6 o    3.014000      0.5671000       3.253000 0.7326000       2.775000      0.8658000      0.4780000       1.134000
  1 1 1     -21  -19    7 o    5.603000      0.3599000       6.348000 0.4423000       4.858000      0.5678000       1.490000      0.7198000
  1 1 1     -21  -19    8 o    9.865000      0.2695000       10.23000 0.3700000       9.495000      0.3919000      0.7395000      0.5389000
  1 1 1     -21  -19    9 o    3.957000      0.5305000       3.952000 0.7297000       3.961000      0.7701000     -0.8832000E-02   1.061000
  1 1 1     -21  -19   10 o    6.356000      0.3326000       6.341000 0.4670000       6.372000      0.4737000     -0.3062000E-01  0.6652000
  1 1 1     -21  -19   11 o    4.482000      0.4644000       4.344000 0.6423000       4.621000      0.6710000     -0.2777000      0.9288000
  1 1 1     -21  -19   12 o    3.699000      0.5645000       4.307000 0.6727000       3.091000      0.9066000       1.215000       1.129000
  1 1 1     -21  -19   13 o    13.25000      0.2874000       12.75000 0.3998000       13.75000      0.4131000      -1.002000      0.5749000
  1 1 1     -21  -19   14 o    13.63000      0.2866000       14.01000 0.4034000       13.26000      0.4072000      0.7461000      0.5732000
  1 1 1     -21  -19   15 o    12.59000      0.2947000       12.52000 0.4129000       12.65000      0.4207000     -0.1314000      0.5895000
  1 1 1     -21  -19   16 o    3.299000      0.8106000       3.008000 1.168000       3.589000       1.124000     -0.5813000       1.621000
  1 1 1     -21  -19   17 o    2.312000      0.6495000       2.193000 0.8861000       2.431000      0.9499000     -0.2386000       1.299000
  1 1 1     -21  -19   18 o    2.060000      0.6337000       2.076000 0.8960000       2.044000      0.8964000      0.3174000E-01   1.267000
  1 1 1     -21  -19   19 o    3.585000      0.7185000       4.869000 0.9738000       2.300000       1.057000       2.569000       1.437000
  1 1 1     -21  -19   20 o    4.269000      0.8323000       3.612000 1.114000       4.926000       1.237000      -1.314000       1.665000
  1 1 1     -21  -19   21 o    1.885000      0.5940000       2.059000 0.8770000       1.711000      0.8012000      0.3483000       1.188000
  1 1 1     -21  -19   22 o    3.154000      0.7158000       2.373000 0.9801000       3.936000       1.043000      -1.563000       1.432000
  1 1 1     -21  -19   23 o    4.157000      0.6891000       3.580000 1.013000       4.733000      0.9345000      -1.153000       1.378000
  1 1 1     -21  -19   24 o    4.371000      0.6637000       4.249000 0.9262000       4.493000      0.9508000     -0.2432000       1.327000
  1 1 1     -21  -19   25 o    5.147000      0.6093000       5.967000 0.7073000       4.328000      0.9922000       1.638000       1.219000
  1 1 1     -21  -19   26 o    2.464000      0.7034000       2.374000 0.9834000       2.555000       1.006000     -0.1806000       1.407000
  1 1 1     -21  -19   27 o    2.859000      0.7281000       3.350000 1.055000       2.368000       1.003000      0.9822000       1.456000
  1 1 1     -21  -19   28 o    2.801000      0.7291000       2.763000 1.014000       2.839000       1.048000     -0.7651000E-01   1.458000
  1 1 1     -21  -19   29 o    1.440000      0.7100000                  ?       ?   1.440000      0.7100000                  ?              ?
  1 1 1     -21  -18    1 o    11.07000      0.3380000       11.15000 0.4508000       10.99000      0.5037000      0.1604000      0.6759000
  1 1 1     -21  -18    2 o    9.347000      0.2485000       9.430000 0.3497000       9.264000      0.3533000      0.1658000      0.4971000
  1 1 1     -21  -18    3 o    11.47000      0.2468000       11.21000 0.3391000       11.74000      0.3586000     -0.5312000      0.4935000
  1 1 1     -21  -18    4 o    6.571000      0.2962000       6.677000 0.3905000       6.465000      0.4454000      0.2121000      0.5923000
  1 1 1     -21  -18    5 o    5.461000      0.3565000       5.640000 0.4579000       5.283000      0.5466000      0.3570000      0.7131000
  1 1 1     -21  -18    6 o    14.34000      0.2693000       14.33000 0.3813000       14.34000      0.3804000     -0.6964000E-02  0.5386000
  1 1 1     -21  -18    7 o    8.147000      0.2823000       8.467000 0.4015000       7.828000      0.3969000      0.6390000      0.5645000
  1 1 1     -21  -18    8 o    12.81000      0.2665000       13.02000 0.3708000       12.60000      0.3830000      0.4153000      0.5330000
  1 1 1     -21  -18    9 o    6.351000      0.3279000       5.838000 0.4609000       6.863000      0.4666000      -1.025000      0.6558000
  1 1 1     -21  -18   10 f    1.641000      0.5228000       1.503000 0.6968000       1.779000      0.7796000     -0.2768000       1.046000
  1 1 1     -21  -18   11 o    2.555000      0.5876000       2.923000 0.8208000       2.186000      0.8410000      0.7370000       1.175000
  1 1 1     -21  -18   12 o    9.995000      0.2832000       10.24000 0.3900000       9.752000      0.4107000      0.4862000      0.5664000
  1 1 1     -21  -18   13 o    10.22000      0.2906000       10.27000 0.4091000       10.17000      0.4128000      0.9891000E-01  0.5811000
  1 1 1     -21  -18   14 o    4.199000      0.5113000       3.781000 0.7987000       4.617000      0.6385000     -0.8364000       1.023000
  1 1 1     -21  -18   15 o    4.186000      0.5338000       3.598000 0.8270000       4.773000      0.6752000      -1.175000       1.068000
  1 1 1     -21  -18   16 o    13.75000      0.4231000       13.14000 0.6238000       14.37000      0.5716000      -1.224000      0.8461000
  1 1 1     -21  -18   17 o    9.499000      0.4405000       9.538000 0.6438000       9.460000      0.6014000      0.7828000E-01  0.8811000
  1 1 1     -21  -18   18 o    2.280000      0.6374000       1.819000 0.8192000       2.741000      0.9768000     -0.9213000       1.275000
  1 1 1     -21  -18   19 o    6.731000      0.4196000       6.426000 0.5961000       7.036000      0.5907000     -0.6101000      0.8392000
  1 1 1     -21  -18   20 o    3.566000      0.7784000       4.324000 1.018000       2.809000       1.178000       1.515000       1.557000
  1 1 1     -21  -18   21 o    2.590000      0.6989000       2.453000 0.9548000       2.727000       1.021000     -0.2741000       1.398000
  1 1 1     -21  -18   22 o    5.868000      0.4854000       5.845000 0.6800000       5.891000      0.6929000     -0.4568000E-01  0.9709000
  1 1 1     -21  -18   23 o    5.221000      0.5825000       5.341000 0.7711000       5.100000      0.8732000      0.2407000       1.165000
  1 1 1     -21  -18   24 o    3.481000      0.7224000       3.032000 1.013000       3.931000       1.030000     -0.8998000       1.445000
  1 1 1     -21  -18   25 o    2.257000      0.6671000       2.759000 1.044000       1.755000      0.8312000       1.004000       1.334000
  1 1 1     -21  -18   26 o    2.463000      0.6916000       1.974000 0.8932000       2.953000       1.056000     -0.9793000       1.383000
  1 1 1     -21  -18   27 f    3.130000      0.7212000       3.843000 1.043000       2.416000      0.9960000       1.426000       1.442000
  1 1 1     -21  -18   28 o    3.825000      0.6584000       4.760000 0.8166000       2.890000       1.033000       1.870000       1.317000
  1 1 1     -21  -18   29 o    2.553000      0.6963000       2.956000 1.037000       2.150000      0.9298000      0.8061000       1.393000
  1 1 1     -21  -17    1 o    11.92000      0.3343000       12.73000 0.4692000       11.11000      0.4763000       1.623000      0.6686000
  1 1 1     -21  -17    2 o    6.305000      0.3792000       6.612000 0.4773000       5.998000      0.5894000      0.6146000      0.7584000
  1 1 1     -21  -17    3 o    10.56000      0.2507000       10.23000 0.3534000       10.88000      0.3557000     -0.6504000      0.5014000
  1 1 1     -21  -17    4 o    3.643000      0.4877000       4.130000 0.5921000       3.156000      0.7752000      0.9738000      0.9755000
  1 1 1     -21  -17    5 o    2.432000      0.5557000       2.037000 0.7842000       2.826000      0.7875000     -0.7888000       1.111000
  1 1 1     -21  -17    6 o    11.18000      0.2562000       10.62000 0.3514000       11.75000      0.3729000      -1.129000      0.5124000
  1 1 1     -21  -17    7 o    2.258000      0.5723000       2.011000 0.7924000       2.505000      0.8259000     -0.4937000       1.145000
  1 1 1     -21  -17    8 o    5.760000      0.3611000       5.655000 0.5087000       5.864000      0.5127000     -0.2095000      0.7223000
  1 1 1     -21  -17    9 o    11.32000      0.2620000       11.53000 0.3672000       11.10000      0.3739000      0.4304000      0.5241000
  1 1 1     -21  -17   10 o    3.616000      0.5346000       3.177000 0.7948000       4.054000      0.7152000     -0.8775000       1.069000
  1 1 1     -21  -17   11 o    3.720000      0.5334000       3.255000 0.7959000       4.185000      0.7103000     -0.9299000       1.067000
  1 1 1     -21  -17   12 f    10.42000      0.2705000       10.46000 0.3782000       10.38000      0.3868000      0.8481000E-01  0.5410000
  1 1 1     -21  -17   13 o    6.058000      0.3652000       6.029000 0.5018000       6.086000      0.5307000     -0.5632000E-01  0.7303000
  1 1 1     -21  -17   14 o    1.735000      0.5528000       1.753000 0.7825000       1.717000      0.7809000      0.3644000E-01   1.106000
  1 1 1     -21  -17   15 o    8.715000      0.3087000       8.777000 0.4212000       8.654000      0.4515000      0.1229000      0.6174000
  1 1 1     -21  -17   16 o    9.030000      0.3172000       8.632000 0.4527000       9.427000      0.4444000     -0.7958000      0.6344000
  1 1 1     -21  -17   17 o    3.029000      0.7750000       2.540000 1.076000       3.518000       1.116000     -0.9778000       1.550000
  1 1 1     -21  -17   18 f    4.713000      0.7595000       4.379000 1.184000       5.048000      0.9512000     -0.6688000       1.519000
  1 1 1     -21  -17   19 o    8.823000      0.3448000       8.644000 0.4785000       9.002000      0.4965000     -0.3580000      0.6895000
  1 1 1     -21  -17   20 o    4.655000      0.7935000       4.859000 1.005000       4.450000       1.228000      0.4090000       1.587000
  1 1 1     -21  -17   21 f    3.703000      0.8392000       3.509000 1.093000       3.896000       1.273000     -0.3872000       1.678000
  1 1 1     -21  -17   22 o    3.843000      0.6852000       3.516000 0.9962000       4.170000      0.9412000     -0.6547000       1.370000
  1 1 1     -21  -17   23 o    2.380000      0.6858000       1.995000 0.8885000       2.765000       1.045000     -0.7697000       1.372000
  1 1 1     -21  -17   24 o    3.028000      0.7249000       3.561000 1.028000       2.495000       1.022000       1.067000       1.450000
  1 1 1     -21  -17   25 o    3.407000      0.7118000       4.106000 0.9611000       2.709000       1.050000       1.397000       1.424000
  1 1 1     -21  -17   26 o    3.324000      0.7358000       3.562000 1.001000       3.086000       1.079000      0.4765000       1.472000
  1 1 1     -21  -17   27 o    2.229000      0.6571000       2.618000 1.003000       1.841000      0.8488000      0.7762000       1.314000
  1 1 1     -21  -17   28 o    2.229000      0.6723000       2.096000 0.9173000       2.363000      0.9832000     -0.2671000       1.345000
  1 1 1     -21  -17   29 o    2.199000      0.6640000       2.117000 0.9257000       2.280000      0.9522000     -0.1629000       1.328000
  1 1 1     -21  -17   30 o    2.233000      0.6364000       1.639000 0.7788000       2.826000       1.007000      -1.187000       1.273000
  1 1 1     -21  -16    1 o    3.279000      0.4788000       3.239000 0.6638000       3.320000      0.6901000     -0.8113000E-01  0.9576000
  1 1 1     -21  -16    2 o    4.843000      0.5123000       5.806000 0.5590000       3.880000      0.8586000       1.926000       1.025000
  1 1 1     -21  -16    3 o    4.257000      0.5267000       3.455000 0.8320000       5.059000      0.6462000      -1.604000       1.053000
  1 1 1     -21  -16    4 o    7.919000      0.2616000       7.690000 0.3730000       8.148000      0.3669000     -0.4576000      0.5232000
  1 1 1     -21  -16    5 o    7.168000      0.2829000       7.041000 0.4117000       7.295000      0.3882000     -0.2538000      0.5658000
  1 1 1     -21  -16    6 o    4.899000      0.3709000       5.113000 0.4872000       4.685000      0.5595000      0.4282000      0.7419000
  1 1 1     -21  -16    7 o    8.553000      0.2731000       8.802000 0.3677000       8.304000      0.4040000      0.4987000      0.5463000
  1 1 1     -21  -16    8 o    7.514000      0.3017000       7.790000 0.4131000       7.239000      0.4398000      0.5506000      0.6034000
  1 1 1     -21  -16    9 o    5.319000      0.3664000       5.521000 0.4756000       5.116000      0.5574000      0.4050000      0.7328000
  1 1 1     -21  -16   10 o    2.743000      0.6133000       2.938000 0.8405000       2.548000      0.8933000      0.3904000       1.227000
  1 1 1     -21  -16   11 o    4.354000      0.4538000       4.067000 0.6845000       4.641000      0.5960000     -0.5736000      0.9076000
  1 1 1     -21  -16   12 o    5.899000      0.3639000       5.924000 0.4974000       5.873000      0.5313000      0.5091000E-01  0.7277000
  1 1 1     -21  -16   13 o    2.307000      0.5961000       2.464000 0.8485000       2.150000      0.8374000      0.3136000       1.192000
  1 1 1     -21  -16   14 o    13.35000      0.2804000       12.69000 0.3923000       14.00000      0.4007000      -1.315000      0.5607000
  1 1 1     -21  -16   15 o    5.957000      0.3812000       5.677000 0.5541000       6.237000      0.5236000     -0.5597000      0.7624000
  1 1 1     -21  -16   16 o    5.242000      0.4433000       5.311000 0.6034000       5.173000      0.6497000      0.1380000      0.8867000
  1 1 1     -21  -16   17 o    8.695000      0.3177000       8.517000 0.4459000       8.872000      0.4527000     -0.3547000      0.6354000
  1 1 1     -21  -16   18 o    3.837000      0.8095000       4.191000 1.178000       3.482000       1.111000      0.7097000       1.619000
  1 1 1     -21  -16   19 o    6.176000      0.4417000       6.334000 0.5898000       6.019000      0.6577000      0.3151000      0.8834000
  1 1 1     -21  -16   20 o    1.710000      0.5572000       1.970000 0.8616000       1.449000      0.7069000      0.5212000       1.114000
  1 1 1     -21  -16   21 o    8.439000      0.5091000       8.383000 0.6504000       8.494000      0.7834000     -0.1114000       1.018000
  1 1 1     -21  -16   22 o    3.943000      0.6631000       3.912000 0.9304000       3.975000      0.9452000     -0.6295000E-01   1.326000
  1 1 1     -21  -16   23 o    3.066000      0.7022000       3.460000 0.9675000       2.671000       1.018000      0.7897000       1.404000
  1 1 1     -21  -16   24 o    3.126000      0.7159000       3.287000 1.001000       2.965000       1.023000      0.3214000       1.432000
  1 1 1     -21  -16   25 o    3.900000      0.6951000       3.427000 1.015000       4.373000      0.9502000     -0.9459000       1.390000
  1 1 1     -21  -16   26 o    3.783000      0.6925000       3.264000 1.008000       4.303000      0.9502000      -1.039000       1.385000
  1 1 1     -21  -16   27 o    2.783000      0.6873000       2.282000 0.9470000       3.283000      0.9964000      -1.000000       1.375000
  1 1 1     -21  -16   28 o    2.617000      0.9893000       2.617000 0.9893000                  ?              ?              ?              ?
  1 1 1     -21  -16   29 o    2.833000      0.7144000       2.764000 1.009000       2.903000       1.011000     -0.1386000       1.429000
  1 1 1     -21  -16   30 o    3.053000      0.7481000       3.098000 1.103000       3.009000       1.011000      0.8868000E-01   1.496000
  1 1 1     -21  -15    1 o    7.950000      0.3614000                  ?       ?   7.950000      0.3614000                  ?              ?
  1 1 1     -21  -15    2 o    8.800000      0.2447000       9.144000 0.3437000       8.456000      0.3483000      0.6878000      0.4894000
  1 1 1     -21  -15    3 o    5.436000      0.4531000       5.444000 0.5886000       5.429000      0.6891000      0.1451000E-01  0.9062000
  1 1 1     -21  -15    4 o    8.596000      0.3497000       8.894000 0.4693000       8.298000      0.5185000      0.5967000      0.6993000
  1 1 1     -21  -15    5 o    8.757000      0.2568000       8.646000 0.3535000       8.868000      0.3726000     -0.2225000      0.5136000
  1 1 1     -21  -15    6 o    10.49000      0.2507000       10.61000 0.3550000       10.37000      0.3540000      0.2372000      0.5013000
  1 1 1     -21  -15    7 o    6.021000      0.3161000       6.149000 0.4305000       5.894000      0.4631000      0.2552000      0.6322000
  1 1 1     -21  -15    8 o    2.456000      0.5749000       2.827000 0.8091000       2.085000      0.8169000      0.7420000       1.150000
  1 1 1     -21  -15    9 o    3.908000      0.4803000       3.523000 0.7185000       4.294000      0.6375000     -0.7714000      0.9605000
  1 1 1     -21  -15   10 o    8.161000      0.2965000       8.698000 0.4053000       7.624000      0.4328000       1.074000      0.5930000
  1 1 1     -21  -15   11 o    10.43000      0.2698000       10.64000 0.3767000       10.22000      0.3863000      0.4105000      0.5396000
  1 1 1     -21  -15   12 o    7.941000      0.3008000       8.213000 0.4153000       7.669000      0.4352000      0.5440000      0.6016000
  1 1 1     -21  -15   13 o    3.073000      0.6048000       2.802000 0.8553000       3.345000      0.8554000     -0.5425000       1.210000
  1 1 1     -21  -15   14 o    16.58000      0.2945000       16.07000 0.4104000       17.09000      0.4226000      -1.024000      0.5890000
  1 1 1     -21  -15   15 o    4.837000      0.4564000       5.106000 0.5999000       4.568000      0.6880000      0.5379000      0.9128000
  1 1 1     -21  -15   16 o    10.01000      0.2957000       9.868000 0.4138000       10.15000      0.4225000     -0.2800000      0.5914000
  1 1 1     -21  -15   17 o    11.90000      0.2907000       11.59000 0.4110000       12.21000      0.4111000     -0.6259000      0.5813000
  1 1 1     -21  -15   18 o    5.421000      0.6897000       4.869000 1.106000       5.972000      0.8250000      -1.103000       1.379000
  1 1 1     -21  -15   19 o    8.460000      0.4821000       8.598000 0.7183000       8.321000      0.6431000      0.2777000      0.9642000
  1 1 1     -21  -15   20 o    5.708000      0.4562000       5.409000 0.6478000       6.006000      0.6424000     -0.5972000      0.9123000
  1 1 1     -21  -15   21 o    6.690000      0.5906000       7.452000 0.6937000       5.928000      0.9560000       1.523000       1.181000
  1 1 1     -21  -15   22 o    3.411000      0.8232000       3.575000 1.111000       3.248000       1.215000      0.3269000       1.646000
  1 1 1     -21  -15   23 o    3.291000      0.7074000       3.540000 0.9735000       3.042000       1.027000      0.4985000       1.415000
  1 1 1     -21  -15   24 o    4.040000      0.6398000       3.493000 0.9675000       4.587000      0.8375000      -1.094000       1.280000
  1 1 1     -21  -15   25 o    2.643000      0.6911000       1.994000 0.8856000       3.292000       1.061000      -1.299000       1.382000
  1 1 1     -21  -15   26 f    3.307000      0.6854000       4.104000 0.9370000       2.511000       1.000000       1.593000       1.371000
  1 1 1     -21  -15   27 o    2.352000      0.6839000       2.082000 0.9129000       2.621000       1.018000     -0.5392000       1.368000
  1 1 1     -21  -15   28 o    6.771000      0.6344000       6.771000 0.6344000                  ?              ?              ?              ?
  1 1 1     -21  -15   29 o    3.636000      0.6853000       2.936000 1.022000       4.335000      0.9134000      -1.399000       1.371000
  1 1 1     -21  -15   30 o    2.441000      0.9802000                  ?       ?   2.441000      0.9802000                  ?              ?
  1 1 1     -21  -14    1 o    2.280000      0.8636000                  ?       ?   2.280000      0.8636000                  ?              ?
  1 1 1     -21  -14    2 o    7.046000      0.2639000       7.311000 0.3682000       6.780000      0.3783000      0.5307000      0.5279000
  1 1 1     -21  -14    3 o    9.661000      0.2426000       9.939000 0.3392000       9.383000      0.3470000      0.5557000      0.4852000
  1 1 1     -21  -14    4 o    3.871000      0.5488000       3.663000 0.7083000       4.079000      0.8384000     -0.4152000       1.098000
  1 1 1     -21  -14    5 o    5.254000      0.4382000       5.228000 0.5994000       5.280000      0.6395000     -0.5239000E-01  0.8765000
  1 1 1     -21  -14    6 o    12.82000      0.2568000       12.77000 0.3618000       12.87000      0.3646000     -0.9832000E-01  0.5137000
  1 1 1     -21  -14    7 o    7.145000      0.2776000       7.539000 0.3876000       6.752000      0.3975000      0.7874000      0.5551000
  1 1 1     -21  -14    8 o    5.487000      0.3427000       5.580000 0.4640000       5.394000      0.5044000      0.1860000      0.6853000
  1 1 1     -21  -14    9 o    6.914000      0.3092000       7.003000 0.4189000       6.825000      0.4548000      0.1776000      0.6184000
  1 1 1     -21  -14   10 o    3.686000      0.5223000       3.345000 0.7948000       4.026000      0.6779000     -0.6810000       1.045000
  1 1 1     -21  -14   11 o    2.708000      0.6040000       2.625000 0.8576000       2.791000      0.8508000     -0.1667000       1.208000
  1 1 1     -21  -14   12 o    12.31000      0.2654000       12.33000 0.3764000       12.29000      0.3743000      0.4228000E-01  0.5308000
  1 1 1     -21  -14   13 o    13.45000      0.2767000       14.09000 0.3933000       12.80000      0.3892000       1.282000      0.5533000
  1 1 1     -21  -14   14 o    7.697000      0.3144000       8.087000 0.4319000       7.308000      0.4569000      0.7789000      0.6287000
  1 1 1     -21  -14   15 o    4.219000      0.5063000       4.688000 0.6287000       3.749000      0.7938000      0.9389000       1.013000
  1 1 1     -21  -14   16 f    9.427000      0.2960000       8.739000 0.4227000       10.11000      0.4145000      -1.376000      0.5920000
  1 1 1     -21  -14   17 o    2.504000      0.6172000       1.890000 0.8230000       3.119000      0.9201000      -1.229000       1.234000
  1 1 1     -21  -14   18 o    6.300000      0.3929000       6.017000 0.5548000       6.584000      0.5565000     -0.5672000      0.7858000
  1 1 1     -21  -14   19 o    10.47000      0.4217000       10.69000 0.6085000       10.25000      0.5839000      0.4427000      0.8434000
  1 1 1     -21  -14   20 o    8.141000      0.3552000       8.422000 0.4707000       7.860000      0.5321000      0.5627000      0.7104000
  1 1 1     -21  -14   21 o    8.876000      0.3476000       9.117000 0.4756000       8.635000      0.5070000      0.4821000      0.6951000
  1 1 1     -21  -14   22 o    2.772000      0.7973000       2.755000 1.083000       2.789000       1.170000     -0.3392000E-01   1.595000
  1 1 1     -21  -14   23 o    4.181000      0.6451000       4.295000 0.8775000       4.067000      0.9457000      0.2283000       1.290000
  1 1 1     -21  -14   24 o    2.814000      0.7112000       3.085000 1.013000       2.543000      0.9986000      0.5422000       1.422000
  1 1 1     -21  -14   25 o    3.229000      0.7180000       3.760000 0.9983000       2.697000       1.032000       1.062000       1.436000
  1 1 1     -21  -14   26 o    3.248000      0.7038000       2.554000 0.9994000       3.942000      0.9913000      -1.389000       1.408000
  1 1 1     -21  -14   27 o    6.659000      0.4701000       6.730000 0.6407000       6.588000      0.6881000      0.1418000      0.9402000
  1 1 1     -21  -14   28 f    2.156000      0.6548000       2.372000 0.9682000       1.940000      0.8818000      0.4322000       1.310000
  1 1 1     -21  -14   29 o    5.354000      0.5434000       6.374000 0.6359000       4.334000      0.8814000       2.040000       1.087000
  1 1 1     -21  -14   30 o    3.988000      0.6199000       3.262000 0.9411000       4.714000      0.8071000      -1.452000       1.240000
  1 1 1     -21  -13    1 o    12.46000      0.3496000       12.12000 0.4995000       12.80000      0.4893000     -0.6787000      0.6992000
  1 1 1     -21  -13    2 o    6.606000      0.3930000       6.865000 0.5806000       6.347000      0.5297000      0.5172000      0.7860000
  1 1 1     -21  -13    3 o    5.656000      0.3040000       5.381000 0.4441000       5.931000      0.4153000     -0.5501000      0.6080000
  1 1 1     -21  -13    4 o    6.634000      0.2792000       6.746000 0.3925000       6.523000      0.3971000      0.2229000      0.5584000
  1 1 1     -21  -13    5 o    6.684000      0.3756000       6.513000 0.5246000       6.855000      0.5376000     -0.3416000      0.7512000
  1 1 1     -21  -13    6 o    3.071000      0.5110000       2.450000 0.7854000       3.691000      0.6540000      -1.241000       1.022000
  1 1 1     -21  -13    7 o    6.811000      0.2930000       6.950000 0.4030000       6.672000      0.4254000      0.2779000      0.5860000
  1 1 1     -21  -13    8 o    6.543000      0.3090000       5.929000 0.4628000       7.158000      0.4096000      -1.230000      0.6180000
  1 1 1     -21  -13    9 o    7.420000      0.2933000       7.735000 0.4055000       7.105000      0.4239000      0.6305000      0.5866000
  1 1 1     -21  -13   10 o    7.210000      0.3041000       6.909000 0.4369000       7.511000      0.4232000     -0.6021000      0.6082000
  1 1 1     -21  -13   11 o    6.188000      0.3318000       6.155000 0.4726000       6.220000      0.4659000     -0.6517000E-01  0.6636000
  1 1 1     -21  -13   12 o    9.529000      0.2739000       9.038000 0.3911000       10.02000      0.3837000     -0.9820000      0.5479000
  1 1 1     -21  -13   13 o    8.766000      0.2905000       8.871000 0.3990000       8.661000      0.4223000      0.2100000      0.5810000
  1 1 1     -21  -13   14 o    6.382000      0.3520000       6.684000 0.4731000       6.079000      0.5212000      0.6044000      0.7039000
  1 1 1     -21  -13   15 o    5.712000      0.3722000       5.758000 0.5120000       5.667000      0.5404000      0.9110000E-01  0.7444000
  1 1 1     -21  -13   16 o    8.033000      0.3091000       7.819000 0.4457000       8.248000      0.4284000     -0.4283000      0.6182000
  1 1 1     -21  -13   17 o    5.542000      0.4056000       5.559000 0.5552000       5.525000      0.5915000      0.3408000E-01  0.8113000
  1 1 1     -21  -13   18 o    5.982000      0.3899000       6.138000 0.5353000       5.826000      0.5672000      0.3113000      0.7799000
  1 1 1     -21  -13   19 o    11.68000      0.4179000       11.55000 0.6090000       11.82000      0.5724000     -0.2672000      0.8358000
  1 1 1     -21  -13   20 o    7.645000      0.3640000       8.185000 0.4797000       7.106000      0.5475000       1.079000      0.7279000
  1 1 1     -21  -13   21 o    14.57000      0.3081000       14.59000 0.4317000       14.54000      0.4397000      0.5458000E-01  0.6162000
  1 1 1     -21  -13   22 o    7.960000      0.5185000       7.356000 0.6997000       8.564000      0.7653000      -1.208000       1.037000
  1 1 1     -21  -13   23 o    6.239000      0.4645000       5.985000 0.6809000       6.493000      0.6319000     -0.5079000      0.9289000
  1 1 1     -21  -13   24 o    2.722000      0.7198000       2.790000 1.020000       2.653000       1.015000      0.1369000       1.440000
  1 1 1     -21  -13   25 o    4.145000      0.6799000       3.527000 1.028000       4.763000      0.8906000      -1.236000       1.360000
  1 1 1     -21  -13   26 f    2.814000      0.7326000       2.964000 1.041000       2.664000       1.031000      0.3005000       1.465000
  1 1 1     -21  -13   27 o    4.943000      0.6101000       4.612000 0.8735000       5.274000      0.8521000     -0.6621000       1.220000
  1 1 1     -21  -13   28 o    2.426000      0.6966000       2.419000 0.9757000       2.432000      0.9946000     -0.1339000E-01   1.393000
  1 1 1     -21  -13   29 o    5.585000      0.5156000       5.692000 0.7247000       5.478000      0.7337000      0.2145000       1.031000
  1 1 1     -21  -13   30 o    4.214000      0.6246000       4.904000 0.7972000       3.525000      0.9617000       1.379000       1.249000
  1 1 1     -21  -13   31 o    2.847000      0.6730000       3.411000 0.9766000       2.283000      0.9263000       1.128000       1.346000
  1 1 1     -21  -12    1 o    5.992000      0.2777000       6.264000 0.3804000       5.720000      0.4047000      0.5438000      0.5555000
  1 1 1     -21  -12    2 o    1.811000      0.5570000       1.714000 0.7649000       1.907000      0.8100000     -0.1933000       1.114000
  1 1 1     -21  -12    3 o    3.060000      0.4864000       3.489000 0.6184000       2.632000      0.7510000      0.8565000      0.9728000
  1 1 1     -21  -12    4 o    5.220000      0.3042000       4.877000 0.4434000       5.564000      0.4166000     -0.6868000      0.6085000
  1 1 1     -21  -12    5 o    2.131000      0.5963000       2.397000 0.8741000       1.865000      0.8114000      0.5323000       1.193000
  1 1 1     -21  -12    6 f    13.41000      0.3545000       13.30000 0.4909000       13.52000      0.5116000     -0.2267000      0.7090000
  1 1 1     -21  -12    7 o    6.750000      0.2879000       7.162000 0.4000000       6.337000      0.4142000      0.8253000      0.5758000
  1 1 1     -21  -12    8 o    11.40000      0.2547000       11.30000 0.3589000       11.49000      0.3615000     -0.1938000      0.5094000
  1 1 1     -21  -12    9 o    5.420000      0.3470000       5.530000 0.4716000       5.310000      0.5090000      0.2206000      0.6939000
  1 1 1     -21  -12   10 o    6.946000      0.3062000       7.172000 0.4151000       6.719000      0.4502000      0.4533000      0.6124000
  1 1 1     -21  -12   11 o    8.624000      0.2800000       8.669000 0.3968000       8.579000      0.3951000      0.8995000E-01  0.5600000
  1 1 1     -21  -12   12 o    10.12000      0.2693000       10.23000 0.3772000       10.01000      0.3844000      0.2189000      0.5386000
  1 1 1     -21  -12   13 o    6.062000      0.3450000       6.140000 0.4702000       5.985000      0.5050000      0.1546000      0.6900000
  1 1 1     -21  -12   14 o    13.10000      0.2742000       13.50000 0.3884000       12.70000      0.3872000      0.8029000      0.5484000
  1 1 1     -21  -12   15 o    7.049000      0.3248000       7.127000 0.4548000       6.970000      0.4636000      0.1573000      0.6495000
  1 1 1     -21  -12   16 o    5.096000      0.4173000       5.192000 0.5632000       5.000000      0.6161000      0.1928000      0.8347000
  1 1 1     -21  -12   17 o    8.474000      0.3115000       8.504000 0.4421000       8.444000      0.4390000      0.6076000E-01  0.6230000
  1 1 1     -21  -12   18 o    1.700000      0.5485000       1.683000 0.7704000       1.718000      0.7810000     -0.3532000E-01   1.097000
  1 1 1     -21  -12   19 f    8.752000      0.4522000       8.193000 0.6849000       9.311000      0.5905000      -1.119000      0.9043000
  1 1 1     -21  -12   20 f    3.239000      0.7732000       4.162000 1.181000       2.315000      0.9985000       1.846000       1.546000
  1 1 1     -21  -12   21 o    11.87000      0.3062000       12.11000 0.4268000       11.62000      0.4392000      0.4910000      0.6124000
  1 1 1     -21  -12   22 o    12.98000      0.4388000       13.34000 0.5856000       12.61000      0.6536000      0.7314000      0.8775000
  1 1 1     -21  -12   23 o    5.673000      0.6854000       4.932000 1.014000       6.414000      0.9222000      -1.482000       1.371000
  1 1 1     -21  -12   24 o    3.924000      0.6761000       3.498000 0.9992000       4.350000      0.9110000     -0.8518000       1.352000
  1 1 1     -21  -12   25 o    3.348000      0.7382000       3.346000 1.033000       3.349000       1.055000     -0.3613000E-02   1.476000
  1 1 1     -21  -12   26 o    2.474000      0.6987000       2.176000 0.9408000       2.772000       1.033000     -0.5969000       1.397000
  1 1 1     -21  -12   27 o    4.067000      0.6866000       4.585000 0.8542000       3.550000       1.075000       1.034000       1.373000
  1 1 1     -21  -12   28 o    2.379000      0.6833000       2.737000 1.022000       2.022000      0.9070000      0.7154000       1.367000
  1 1 1     -21  -12   29 o    4.476000      0.5804000       5.978000 0.6687000       2.974000      0.9489000       3.004000       1.161000
  1 1 1     -21  -12   30 o    3.042000      0.7274000       3.107000 1.045000       2.977000       1.012000      0.1298000       1.455000
  1 1 1     -21  -12   31 o    2.378000      0.6713000       2.292000 0.9440000       2.463000      0.9547000     -0.1711000       1.343000
  1 1 1     -21  -11    1 o    4.272000      0.3473000       3.900000 0.5228000       4.644000      0.4573000     -0.7438000      0.6946000
  1 1 1     -21  -11    2 o    5.146000      0.4164000       4.785000 0.6198000       5.507000      0.5562000     -0.7223000      0.8327000
  1 1 1     -21  -11    3 o    5.942000      0.4122000       5.427000 0.6343000       6.458000      0.5265000      -1.031000      0.8243000
  1 1 1     -21  -11    4 o    9.931000      0.2389000       10.35000 0.3347000       9.511000      0.3409000      0.8410000      0.4777000
  1 1 1     -21  -11    5 o    4.786000      0.3368000       4.506000 0.5033000       5.067000      0.4476000     -0.5605000      0.6735000
  1 1 1     -21  -11    6 o    14.00000      0.3621000       14.32000 0.5063000       13.67000      0.5178000      0.6542000      0.7242000
  1 1 1     -21  -11    7 o    7.182000      0.2837000       7.325000 0.3920000       7.039000      0.4101000      0.2862000      0.5673000
  1 1 1     -21  -11    8 o    11.94000      0.2534000       11.80000 0.3552000       12.07000      0.3615000     -0.2765000      0.5068000
  1 1 1     -21  -11    9 o    4.020000      0.4258000       3.858000 0.6299000       4.182000      0.5732000     -0.3241000      0.8516000
  1 1 1     -21  -11   10 o    4.647000      0.4073000       4.568000 0.5618000       4.726000      0.5898000     -0.1573000      0.8146000
  1 1 1     -21  -11   11 o    6.676000      0.3152000       6.835000 0.4343000       6.518000      0.4569000      0.3165000      0.6304000
  1 1 1     -21  -11   12 o    14.34000      0.2731000       14.37000 0.3846000       14.32000      0.3877000      0.5619000E-01  0.5461000
  1 1 1     -21  -11   13 o    7.535000      0.3001000       7.487000 0.4231000       7.583000      0.4259000     -0.9570000E-01  0.6003000
  1 1 1     -21  -11   14 o    15.45000      0.2833000       15.62000 0.4010000       15.28000      0.4003000      0.3377000      0.5667000
  1 1 1     -21  -11   15 o    2.770000      0.6111000       2.920000 0.8496000       2.619000      0.8786000      0.3004000       1.222000
  1 1 1     -21  -11   16 o    6.021000      0.3705000       6.266000 0.5045000       5.776000      0.5428000      0.4899000      0.7410000
  1 1 1     -21  -11   17 o    8.368000      0.3089000       7.900000 0.4444000       8.836000      0.4291000     -0.9356000      0.6177000
  1 1 1     -21  -11   18 o    9.376000      0.3027000       9.882000 0.4170000       8.871000      0.4390000       1.011000      0.6055000
  1 1 1     -21  -11   19 o    10.32000      0.4184000       10.73000 0.6066000       9.905000      0.5764000      0.8297000      0.8368000
  1 1 1     -21  -11   20 o    3.103000      0.7810000       3.306000 1.139000       2.901000       1.069000      0.4054000       1.562000
  1 1 1     -21  -11   21 o    4.661000      0.5284000       4.790000 0.7011000       4.532000      0.7908000      0.2580000       1.057000
  1 1 1     -21  -11   22 o    4.275000      0.8042000       4.279000 1.078000       4.271000       1.194000      0.8475000E-02   1.608000
  1 1 1     -21  -11   23 o    7.797000      0.5280000       7.715000 0.6964000       7.880000      0.7938000     -0.1651000       1.056000
  1 1 1     -21  -11   24 o    8.306000      0.3834000       8.607000 0.5295000       8.005000      0.5546000      0.6018000      0.7668000
  1 1 1     -21  -11   25 o    5.307000      0.5487000       5.279000 0.7843000       5.335000      0.7677000     -0.5599000E-01   1.097000
  1 1 1     -21  -11   26 o    4.258000      0.6633000       3.936000 0.9742000       4.580000      0.9005000     -0.6438000       1.327000
  1 1 1     -21  -11   27 o    3.216000      0.7203000       3.375000 1.000000       3.057000       1.037000      0.3186000       1.441000
  1 1 1     -21  -11   28 o    3.085000      0.7190000       3.486000 1.008000       2.684000       1.025000      0.8022000       1.438000
  1 1 1     -21  -11   29 o    6.669000      0.6339000       6.669000 0.6339000                  ?              ?              ?              ?
  1 1 1     -21  -11   30 o    4.997000      0.5693000       4.789000 0.8633000       5.205000      0.7423000     -0.4163000       1.139000
  1 1 1     -21  -11   31 o    2.988000      0.9952000                  ?       ?   2.988000      0.9952000                  ?              ?
  1 1 1     -21  -10    1 o    8.816000      0.2341000       8.470000 0.3286000       9.163000      0.3335000     -0.6928000      0.4681000
  1 1 1     -21  -10    2 o    6.938000      0.3745000                  ?       ?   6.938000      0.3745000                  ?              ?
  1 1 1     -21  -10    3 o    7.658000      0.3550000       7.337000 0.5235000       7.978000      0.4798000     -0.6408000      0.7101000
  1 1 1     -21  -10    4 o    16.34000      0.2715000       15.99000 0.3786000       16.70000      0.3893000     -0.7128000      0.5431000
  1 1 1     -21  -10    5 o    7.621000      0.2597000       7.907000 0.3626000       7.335000      0.3719000      0.5716000      0.5193000
  1 1 1     -21  -10    6 o    2.511000      0.6370000       2.829000 0.9170000       2.194000      0.8844000      0.6352000       1.274000
  1 1 1     -21  -10    7 f    22.22000      0.3361000       22.23000 0.4756000       22.21000      0.4750000      0.1138000E-01  0.6722000
  1 1 1     -21  -10    8 o    6.031000      0.3114000       6.796000 0.3972000       5.266000      0.4798000       1.530000      0.6229000
  1 1 1     -21  -10    9 o    6.873000      0.2866000       7.228000 0.3910000       6.519000      0.4193000      0.7085000      0.5733000
  1 1 1     -21  -10   10 o    7.987000      0.2823000       7.698000 0.4021000       8.276000      0.3964000     -0.5781000      0.5646000
  1 1 1     -21  -10   11 o    8.620000      0.2734000       8.245000 0.3916000       8.995000      0.3815000     -0.7501000      0.5467000
  1 1 1     -21  -10   12 o    14.10000      0.2714000       14.38000 0.3863000       13.83000      0.3813000      0.5475000      0.5427000
  1 1 1     -21  -10   13 o    13.56000      0.2717000       13.51000 0.3836000       13.61000      0.3850000     -0.9920000E-01  0.5434000
  1 1 1     -21  -10   14 o    12.70000      0.2687000       12.67000 0.3804000       12.73000      0.3796000     -0.5800000E-01  0.5374000
  1 1 1     -21  -10   15 o    8.800000      0.2853000       8.844000 0.3984000       8.756000      0.4087000      0.8865000E-01  0.5707000
  1 1 1     -21  -10   16 o    3.760000      0.5363000       3.588000 0.7805000       3.931000      0.7358000     -0.3425000       1.073000
  1 1 1     -21  -10   17 f    9.757000      0.2908000       9.777000 0.4086000       9.738000      0.4138000      0.3913000E-01  0.5815000
  1 1 1     -21  -10   18 o    4.766000      0.4653000       4.809000 0.6508000       4.723000      0.6651000      0.8676000E-01  0.9306000
  1 1 1     -21  -10   19 o    4.150000      0.5239000       4.040000 0.7286000       4.259000      0.7529000     -0.2187000       1.048000
  1 1 1     -21  -10   20 o    4.059000      0.7712000       4.004000 1.117000       4.113000       1.064000     -0.1083000       1.542000
  1 1 1     -21  -10   21 o    5.730000      0.4429000       5.419000 0.6424000       6.040000      0.6098000     -0.6215000      0.8858000
  1 1 1     -21  -10   22 o    8.974000      0.4857000       8.384000 0.6798000       9.563000      0.6938000      -1.180000      0.9713000
  1 1 1     -21  -10   23 o    11.99000      0.4465000       12.06000 0.5932000       11.91000      0.6675000      0.1583000      0.8930000
  1 1 1     -21  -10   24 o    6.357000      0.4563000       6.543000 0.6329000       6.171000      0.6573000      0.3716000      0.9125000
  1 1 1     -21  -10   25 f    1.960000      0.6262000       1.882000 0.8628000       2.038000      0.9079000     -0.1554000       1.252000
  1 1 1     -21  -10   26 o    6.089000      0.4756000       5.966000 0.6699000       6.213000      0.6752000     -0.2465000      0.9512000
  1 1 1     -21  -10   27 o    2.943000      0.6770000       2.090000 0.9176000       3.796000      0.9956000      -1.706000       1.354000
  1 1 1     -21  -10   28 o    2.152000      0.6593000       2.110000 0.9164000       2.194000      0.9480000     -0.8438000E-01   1.319000
  1 1 1     -21  -10   29 o    5.967000      0.5840000       6.463000 0.6400000       5.472000      0.9770000      0.9911000       1.168000
  1 1 1     -21  -10   30 o    5.164000      0.5556000       4.652000 0.8824000       5.676000      0.6754000      -1.024000       1.111000
  1 1 1     -21  -10   31 o    4.654000      0.8369000                  ?       ?   4.654000      0.8369000                  ?              ?
  1 1 1     -21   -9    1 o    12.87000      0.2403000       12.83000 0.3368000       12.92000      0.3429000     -0.9172000E-01  0.4806000
  1 1 1     -21   -9    2 o    9.623000      0.3275000                  ?       ?   9.623000      0.3275000                  ?              ?
  1 1 1     -21   -9    3 o    5.939000      0.3961000       6.829000 0.5148000       5.049000      0.6022000       1.780000      0.7923000
  1 1 1     -21   -9    4 o    10.98000      0.2400000       10.84000 0.3368000       11.11000      0.3419000     -0.2766000      0.4799000
  1 1 1     -21   -9    5 o    11.30000      0.2395000       10.80000 0.3380000       11.80000      0.3393000      -1.002000      0.4789000
  1 1 1     -21   -9    6 o    13.30000      0.3517000       12.82000 0.4809000       13.78000      0.5133000     -0.9575000      0.7034000
  1 1 1     -21   -9    7 o    13.81000      0.2599000       13.66000 0.3675000       13.97000      0.3675000     -0.3035000      0.5197000
  1 1 1     -21   -9    8 o    2.455000      0.5314000       1.840000 0.7536000       3.069000      0.7494000      -1.229000       1.063000
  1 1 1     -21   -9    9 o    9.565000      0.2573000       8.986000 0.3697000       10.15000      0.3579000      -1.159000      0.5146000
  1 1 1     -21   -9   10 o    6.254000      0.3187000       6.496000 0.4394000       6.013000      0.4617000      0.4833000      0.6374000
  1 1 1     -21   -9   11 o    4.918000      0.3879000       4.974000 0.5484000       4.862000      0.5488000      0.1116000      0.7759000
  1 1 1     -21   -9   12 f    8.249000      0.2845000       8.009000 0.4023000       8.488000      0.4024000     -0.4790000      0.5690000
  1 1 1     -21   -9   13 o    17.50000      0.2966000       17.13000 0.4149000       17.86000      0.4240000     -0.7330000      0.5932000
  1 1 1     -21   -9   14 o    11.74000      0.2677000       11.75000 0.3799000       11.72000      0.3772000      0.2661000E-01  0.5353000
  1 1 1     -21   -9   15 o    5.257000      0.3983000       5.686000 0.5118000       4.827000      0.6104000      0.8590000      0.7966000
  1 1 1     -21   -9   16 o    6.627000      0.3406000       6.101000 0.4996000       7.153000      0.4631000      -1.052000      0.6812000
  1 1 1     -21   -9   17 o    2.899000      0.6292000       2.916000 0.8730000       2.883000      0.9064000      0.3265000E-01   1.258000
  1 1 1     -21   -9   18 o    6.318000      0.3641000       6.441000 0.5097000       6.194000      0.5202000      0.2476000      0.7282000
  1 1 1     -21   -9   19 o    3.255000      0.6035000       3.506000 0.8178000       3.004000      0.8876000      0.5028000       1.207000
  1 1 1     -21   -9   20 o    8.763000      0.4516000       8.519000 0.6584000       9.007000      0.6183000     -0.4885000      0.9032000
  1 1 1     -21   -9   21 o    11.33000      0.3060000       11.15000 0.4320000       11.51000      0.4334000     -0.3572000      0.6119000
  1 1 1     -21   -9   22 o    16.59000      0.4470000       15.90000 0.6162000       17.29000      0.6475000      -1.388000      0.8939000
  1 1 1     -21   -9   23 o    17.79000      0.4556000       17.05000 0.6229000       18.53000      0.6651000      -1.477000      0.9113000
  1 1 1     -21   -9   24 o    7.559000      0.3978000       7.727000 0.5527000       7.391000      0.5724000      0.3361000      0.7957000
  1 1 1     -21   -9   25 o    7.839000      0.3940000       7.596000 0.5679000       8.081000      0.5464000     -0.4848000      0.7880000
  1 1 1     -21   -9   26 o    2.759000      0.6728000       3.535000 1.014000       1.983000      0.8846000       1.552000       1.346000
  1 1 1     -21   -9   27 o    3.971000      0.6717000       3.701000 0.9789000       4.241000      0.9200000     -0.5401000       1.343000
  1 1 1     -21   -9   28 f    2.262000      0.6712000       2.299000 0.9484000       2.226000      0.9501000      0.7359000E-01   1.342000
  1 1 1     -21   -9   29 o    2.926000      0.7143000       3.045000 0.9947000       2.807000       1.025000      0.2380000       1.429000
  1 1 1     -21   -9   30 o    2.777000      0.6950000       2.399000 0.9753000       3.156000      0.9903000     -0.7570000       1.390000
  1 1 1     -21   -9   31 o    1.820000      0.5883000       1.818000 0.8332000       1.821000      0.8308000     -0.2361000E-02   1.177000
  1 1 1     -21   -8    1 o    10.82000      0.2297000       10.95000 0.3232000       10.69000      0.3263000      0.2562000      0.4593000
  1 1 1     -21   -8    2 o    13.74000      0.2467000       13.59000 0.3487000       13.89000      0.3490000     -0.2928000      0.4934000
  1 1 1     -21   -8    3 o    6.134000      0.3790000       6.050000 0.5559000       6.219000      0.5152000     -0.1690000      0.7579000
  1 1 1     -21   -8    4 o    8.132000      0.2454000       7.869000 0.3547000       8.395000      0.3393000     -0.5258000      0.4908000
  1 1 1     -21   -8    5 o    9.758000      0.2854000       10.14000 0.3402000       9.376000      0.4582000      0.7651000      0.5707000
  1 1 1     -21   -8    6 f    7.129000      0.3567000       6.723000 0.4946000       7.535000      0.5142000     -0.8122000      0.7135000
  1 1 1     -21   -8    7 o    4.131000      0.5387000       3.676000 0.8263000       4.586000      0.6915000     -0.9098000       1.077000
  1 1 1     -21   -8    8 o    10.80000      0.2505000       10.74000 0.3576000       10.86000      0.3509000     -0.1165000      0.5010000
  1 1 1     -21   -8    9 o    2.032000      0.5271000       2.465000 0.7882000       1.600000      0.7000000      0.8642000       1.054000
  1 1 1     -21   -8   10 o    3.791000      0.4795000       3.608000 0.7056000       3.975000      0.6495000     -0.3672000      0.9590000
  1 1 1     -21   -8   11 o    6.801000      0.3069000       6.702000 0.4473000       6.901000      0.4204000     -0.1996000      0.6138000
  1 1 1     -21   -8   12 o    11.95000      0.2620000       11.51000 0.3690000       12.39000      0.3722000     -0.8815000      0.5241000
  1 1 1     -21   -8   13 o    11.24000      0.2672000       11.07000 0.3776000       11.41000      0.3781000     -0.3335000      0.5343000
  1 1 1     -21   -8   14 o    9.303000      0.2752000       8.690000 0.3955000       9.915000      0.3829000      -1.225000      0.5505000
  1 1 1     -21   -8   15 o    6.071000      0.3505000       5.647000 0.5216000       6.496000      0.4684000     -0.8490000      0.7010000
  1 1 1     -21   -8   16 o    10.88000      0.2757000       10.79000 0.3876000       10.98000      0.3923000     -0.1916000      0.5514000
  1 1 1     -21   -8   17 o    12.32000      0.2799000       12.54000 0.3966000       12.09000      0.3952000      0.4585000      0.5599000
  1 1 1     -21   -8   18 o    4.529000      0.4892000       3.866000 0.7750000       5.192000      0.5974000      -1.327000      0.9785000
  1 1 1     -21   -8   19 o    5.921000      0.4388000       5.938000 0.6108000       5.904000      0.6302000      0.3413000E-01  0.8776000
  1 1 1     -21   -8   20 o    7.442000      0.4707000       6.791000 0.7260000       8.094000      0.5993000      -1.303000      0.9414000
  1 1 1     -21   -8   21 o    3.070000      0.6477000       3.475000 0.8947000       2.665000      0.9367000      0.8102000       1.295000
  1 1 1     -21   -8   22 o    11.63000      0.4356000       11.35000 0.6180000       11.90000      0.6140000     -0.5593000      0.8712000
  1 1 1     -21   -8   23 o    12.07000      0.4398000       12.63000 0.6009000       11.50000      0.6425000       1.133000      0.8797000
  1 1 1     -21   -8   24 o    11.66000      0.3975000       12.25000 0.4408000       11.07000      0.6615000       1.177000      0.7949000
  1 1 1     -21   -8   25 o    2.786000      0.7196000       2.494000 1.006000       3.077000       1.029000     -0.5830000       1.439000
  1 1 1     -21   -8   26 o    5.473000      0.5254000       4.735000 0.8436000       6.211000      0.6263000      -1.476000       1.051000
  1 1 1     -21   -8   27 o    2.256000      0.6667000       2.157000 0.9157000       2.356000      0.9692000     -0.1985000       1.333000
  1 1 1     -21   -8   28 o    2.644000      0.7028000       2.733000 0.9922000       2.555000      0.9957000      0.1780000       1.406000
  1 1 1     -21   -8   29 o    4.298000      0.6251000       4.808000 0.8199000       3.788000      0.9438000       1.020000       1.250000
  1 1 1     -21   -8   30 o    2.765000      0.6582000       3.491000 0.9802000       2.038000      0.8787000       1.453000       1.316000
  1 1 1     -21   -8   31 o    2.286000      0.6550000       1.992000 0.8773000       2.579000      0.9728000     -0.5865000       1.310000
  1 1 1     -21   -7    1 o    1.755000      0.4868000       1.584000 0.6679000       1.926000      0.7085000     -0.3427000      0.9737000
  1 1 1     -21   -7    2 f    7.655000      0.2405000       7.675000 0.3387000       7.634000      0.3416000      0.4016000E-01  0.4810000
  1 1 1     -21   -7    3 o    14.00000      0.3554000       13.92000 0.5097000       14.08000      0.4954000     -0.1576000      0.7108000
  1 1 1     -21   -7    4 o    5.149000      0.3123000       5.488000 0.4235000       4.810000      0.4590000      0.6782000      0.6245000
  1 1 1     -21   -7    5 o    7.195000      0.2543000       7.331000 0.3626000       7.059000      0.3568000      0.2723000      0.5087000
  1 1 1     -21   -7    6 o    8.972000      0.3358000       8.651000 0.4684000       9.293000      0.4814000     -0.6419000      0.6716000
  1 1 1     -21   -7    7 o    9.404000      0.2526000       9.592000 0.3559000       9.215000      0.3586000      0.3778000      0.5053000
  1 1 1     -21   -7    8 o    11.31000      0.2513000       11.44000 0.3562000       11.19000      0.3547000      0.2577000      0.5027000
  1 1 1     -21   -7    9 f    5.531000      0.3265000       5.967000 0.4434000       5.095000      0.4793000      0.8717000      0.6529000
  1 1 1     -21   -7   10 o    8.252000      0.2735000       8.386000 0.3867000       8.119000      0.3869000      0.2677000      0.5470000
  1 1 1     -21   -7   11 o    6.861000      0.3070000       7.011000 0.4268000       6.710000      0.4413000      0.3005000      0.6139000
  1 1 1     -21   -7   12 o    10.72000      0.2589000       10.80000 0.3677000       10.64000      0.3645000      0.1675000      0.5177000
  1 1 1     -21   -7   13 o    3.904000      0.4818000       3.902000 0.6841000       3.905000      0.6788000     -0.3446000E-02  0.9637000
  1 1 1     -21   -7   14 o    4.018000      0.4879000       4.731000 0.5938000       3.305000      0.7744000       1.426000      0.9759000
  1 1 1     -21   -7   15 o    18.27000      0.3047000       18.70000 0.4354000       17.84000      0.4262000      0.8625000      0.6093000
  1 1 1     -21   -7   16 o    5.185000      0.4012000       5.554000 0.5389000       4.816000      0.5944000      0.7379000      0.8023000
  1 1 1     -21   -7   17 o    14.12000      0.3495000       13.82000 0.3953000       14.41000      0.5764000     -0.5889000      0.6990000
  1 1 1     -21   -7   18 o    3.561000      0.5707000       3.558000 0.8108000       3.564000      0.8032000     -0.6076000E-02   1.141000
  1 1 1     -21   -7   19 o    5.498000      0.5752000       5.465000 0.8383000       5.530000      0.7879000     -0.6516000E-01   1.150000
  1 1 1     -21   -7   20 o    9.230000      0.4354000       9.416000 0.6259000       9.045000      0.6055000      0.3708000      0.8708000
  1 1 1     -21   -7   21 o    6.700000      0.3875000       6.304000 0.5702000       7.095000      0.5249000     -0.7908000      0.7750000
  1 1 1     -21   -7   22 o    6.656000      0.5771000       6.955000 0.7578000       6.357000      0.8707000      0.5973000       1.154000
  1 1 1     -21   -7   23 o    7.698000      0.3573000       7.447000 0.5173000       7.949000      0.4930000     -0.5014000      0.7146000
  1 1 1     -21   -7   24 o    3.177000      0.6691000       3.543000 0.9209000       2.811000      0.9711000      0.7320000       1.338000
  1 1 1     -21   -7   25 f    9.141000      0.3635000       8.905000 0.5166000       9.376000      0.5114000     -0.4713000      0.7269000
  1 1 1     -21   -7   26 o    8.266000      0.3736000       8.009000 0.5252000       8.522000      0.5314000     -0.5137000      0.7471000
  1 1 1     -21   -7   27 o    2.434000      0.6654000       2.628000 0.9649000       2.240000      0.9165000      0.3880000       1.331000
  1 1 1     -21   -7   28 o    5.590000      0.4822000       5.398000 0.7187000       5.781000      0.6430000     -0.3832000      0.9643000
  1 1 1     -21   -7   29 o    2.687000      0.6916000       2.598000 0.9766000       2.775000      0.9795000     -0.1767000       1.383000
  1 1 1     -21   -7   30 o    4.967000      0.7937000       4.967000 0.7937000                  ?              ?              ?              ?
  1 1 1     -21   -7   31 o    3.446000      0.6599000       3.205000 0.9632000       3.687000      0.9021000     -0.4823000       1.320000
  1 1 1     -21   -6    1 o    2.728000      0.6810000       2.728000 0.6810000                  ?              ?              ?              ?
  1 1 1     -21   -6    2 o    8.157000      0.2336000       8.469000 0.3246000       7.845000      0.3361000      0.6236000      0.4672000
  1 1 1     -21   -6    3 o    5.366000      0.5526000                  ?       ?   5.366000      0.5526000                  ?              ?
  1 1 1     -21   -6    4 o    7.632000      0.2517000       7.257000 0.3639000       8.008000      0.3477000     -0.7502000      0.5033000
  1 1 1     -21   -6    5 o    4.491000      0.3384000       4.297000 0.4870000       4.684000      0.4702000     -0.3866000      0.6769000
  1 1 1     -21   -6    6 o    13.22000      0.3493000       13.43000 0.4938000       13.02000      0.4941000      0.4122000      0.6985000
  1 1 1     -21   -6    7 o    8.672000      0.2545000       8.405000 0.3658000       8.938000      0.3539000     -0.5334000      0.5090000
  1 1 1     -21   -6    8 o    2.062000      0.5302000       2.287000 0.7687000       1.837000      0.7303000      0.4497000       1.060000
  1 1 1     -21   -6    9 o    12.22000      0.2524000       12.59000 0.3595000       11.85000      0.3544000      0.7407000      0.5048000
  1 1 1     -21   -6   10 o    6.474000      0.3069000       6.794000 0.4214000       6.153000      0.4463000      0.6412000      0.6138000
  1 1 1     -21   -6   11 o    10.33000      0.2591000       10.32000 0.3696000       10.33000      0.3632000     -0.8576000E-02  0.5182000
  1 1 1     -21   -6   12 o    16.73000      0.2876000       16.58000 0.4068000       16.89000      0.4067000     -0.3107000      0.5752000
  1 1 1     -21   -6   13 o    6.063000      0.3273000       6.080000 0.4615000       6.045000      0.4642000      0.3514000E-01  0.6546000
  1 1 1     -21   -6   14 o    11.33000      0.2660000       11.05000 0.3787000       11.62000      0.3736000     -0.5687000      0.5320000
  1 1 1     -21   -6   15 o    12.26000      0.2684000       12.06000 0.3762000       12.47000      0.3828000     -0.4089000      0.5367000
  1 1 1     -21   -6   16 o    7.067000      0.3141000       6.830000 0.4582000       7.304000      0.4299000     -0.4737000      0.6283000
  1 1 1     -21   -6   17 o    4.194000      0.5023000       3.974000 0.7348000       4.414000      0.6851000     -0.4402000       1.005000
  1 1 1     -21   -6   18 o    3.240000      0.5959000       3.009000 0.8610000       3.471000      0.8240000     -0.4623000       1.192000
  1 1 1     -21   -6   19 o    5.763000      0.5534000       5.611000 0.8244000       5.916000      0.7384000     -0.3044000       1.107000
  1 1 1     -21   -6   20 o    10.74000      0.2833000       10.40000 0.3983000       11.08000      0.4029000     -0.6863000      0.5666000
  1 1 1     -21   -6   21 o    9.777000      0.3079000       9.759000 0.4384000       9.795000      0.4325000     -0.3666000E-01  0.6158000
  1 1 1     -21   -6   22 o    7.643000      0.5150000       8.576000 0.6515000       6.711000      0.7979000       1.865000       1.030000
  1 1 1     -21   -6   23 o    5.964000      0.4337000       5.967000 0.6098000       5.960000      0.6169000      0.6399000E-02  0.8674000
  1 1 1     -21   -6   24 o    3.904000      0.6044000       3.348000 0.9414000       4.460000      0.7584000      -1.111000       1.209000
  1 1 1     -21   -6   25 o    7.930000      0.3790000       7.550000 0.5506000       8.309000      0.5210000     -0.7591000      0.7580000
  1 1 1     -21   -6   26 o    4.831000      0.5241000       4.358000 0.8124000       5.305000      0.6624000     -0.9470000       1.048000
  1 1 1     -21   -6   27 f    2.979000      0.6809000       3.285000 0.9634000       2.674000      0.9623000      0.6110000       1.362000
  1 1 1     -21   -6   28 o    6.686000      0.4091000       6.482000 0.6004000       6.890000      0.5559000     -0.4074000      0.8182000
  1 1 1     -21   -6   29 o    4.589000      0.5740000       4.807000 0.7684000       4.371000      0.8529000      0.4355000       1.148000
  1 1 1     -21   -6   30 o    2.506000      0.9616000       2.506000 0.9616000                  ?              ?              ?              ?
  1 1 1     -21   -6   31 o    4.606000      0.5457000       4.394000 0.8160000       4.818000      0.7247000     -0.4237000       1.091000
  1 1 1     -21   -5    1 o    5.803000      0.3664000       5.803000 0.3664000                  ?              ?              ?              ?
  1 1 1     -21   -5    2 o    12.74000      0.2384000       12.61000 0.3334000       12.88000      0.3409000     -0.2632000      0.4768000
  1 1 1     -21   -5    3 f    10.79000      0.4549000                  ?       ?   10.79000      0.4549000                  ?              ?
  1 1 1     -21   -5    4 o    4.926000      0.3103000       4.838000 0.4456000       5.013000      0.4320000     -0.1743000      0.6207000
  1 1 1     -21   -5    5 o    1.952000      0.4895000       1.464000 0.6562000       2.440000      0.7266000     -0.9760000      0.9790000
  1 1 1     -21   -5    6 o    7.090000      0.3751000       7.066000 0.5383000       7.115000      0.5224000     -0.4843000E-01  0.7501000
  1 1 1     -21   -5    7 o    13.13000      0.2512000       13.05000 0.3547000       13.22000      0.3559000     -0.1737000      0.5025000
  1 1 1     -21   -5    8 o    3.626000      0.4320000       3.249000 0.6592000       4.003000      0.5584000     -0.7543000      0.8639000
  1 1 1     -21   -5    9 o    13.39000      0.2544000       13.42000 0.3598000       13.37000      0.3597000      0.5838000E-01  0.5088000
  1 1 1     -21   -5   10 o    5.083000      0.3562000       4.549000 0.5537000       5.618000      0.4481000      -1.069000      0.7123000
  1 1 1     -21   -5   11 o    3.153000      0.5289000       3.258000 0.7378000       3.047000      0.7580000      0.2113000       1.058000
  1 1 1     -21   -5   12 o    9.119000      0.2630000       9.249000 0.3709000       8.988000      0.3730000      0.2608000      0.5260000
  1 1 1     -21   -5   13 o    14.37000      0.2697000       14.21000 0.3808000       14.53000      0.3820000     -0.3152000      0.5394000
  1 1 1     -21   -5   14 o    7.490000      0.2921000       8.073000 0.4016000       6.906000      0.4243000       1.167000      0.5842000
  1 1 1     -21   -5   15 o    8.589000      0.2752000       8.717000 0.3883000       8.461000      0.3900000      0.2558000      0.5503000
  1 1 1     -21   -5   16 o    12.48000      0.2668000       12.36000 0.3772000       12.59000      0.3775000     -0.2272000      0.5336000
  1 1 1     -21   -5   17 o    3.750000      0.5278000       3.570000 0.7825000       3.930000      0.7085000     -0.3597000       1.056000
  1 1 1     -21   -5   18 o    7.795000      0.3241000       8.296000 0.4337000       7.294000      0.4818000       1.001000      0.6482000
  1 1 1     -21   -5   19 o    6.805000      0.4459000       6.915000 0.6237000       6.694000      0.6374000      0.2210000      0.8918000
  1 1 1     -21   -5   20 o    7.725000      0.3187000       7.654000 0.4503000       7.796000      0.4511000     -0.1427000      0.6374000
  1 1 1     -21   -5   21 o    2.760000      0.6369000       2.379000 0.8883000       3.141000      0.9129000     -0.7628000       1.274000
  1 1 1     -21   -5   22 o    6.820000      0.5550000       6.534000 0.7978000       7.105000      0.7717000     -0.5712000       1.110000
  1 1 1     -21   -5   23 o    5.362000      0.4886000       4.936000 0.7255000       5.788000      0.6546000     -0.8527000      0.9772000
  1 1 1     -21   -5   24 o    8.507000      0.3449000       8.142000 0.5005000       8.872000      0.4747000     -0.7300000      0.6899000
  1 1 1     -21   -5   25 o    7.776000      0.3743000       7.932000 0.5192000       7.619000      0.5392000      0.3126000      0.7485000
  1 1 1     -21   -5   26 o    2.787000      0.6503000       2.225000 0.9040000       3.348000      0.9351000      -1.124000       1.301000
  1 1 1     -21   -5   27 o    3.443000      0.6708000       3.487000 0.9685000       3.400000      0.9284000      0.8749000E-01   1.342000
  1 1 1     -21   -5   28 o    2.465000      0.6161000       1.726000 0.8012000       3.205000      0.9363000      -1.479000       1.232000
  1 1 1     -21   -5   29 o    5.836000      0.4543000       6.198000 0.5969000       5.474000      0.6850000      0.7247000      0.9086000
  1 1 1     -21   -5   30 o    2.674000      0.6659000       3.115000 0.9683000       2.234000      0.9144000      0.8811000       1.332000
  1 1 1     -21   -5   31 o    2.187000      0.6379000       2.296000 0.9248000       2.079000      0.8789000      0.2172000       1.276000
  1 1 1     -21   -4    1 o    5.040000      0.2988000       4.861000 0.4123000       5.220000      0.4325000     -0.3583000      0.5975000
  1 1 1     -21   -4    2 o    15.17000      0.3602000       15.04000 0.5089000       15.30000      0.5100000     -0.2505000      0.7205000
  1 1 1     -21   -4    3 o    8.290000      0.3349000       8.276000 0.4778000       8.304000      0.4694000     -0.2762000E-01  0.6698000
  1 1 1     -21   -4    4 o    6.422000      0.2631000       6.515000 0.3791000       6.328000      0.3649000      0.1867000      0.5262000
  1 1 1     -21   -4    5 o    4.457000      0.5011000       5.152000 0.5776000       3.763000      0.8190000       1.390000       1.002000
  1 1 1     -21   -4    6 o    3.745000      0.5512000       3.600000 0.7384000       3.889000      0.8186000     -0.2890000       1.102000
  1 1 1     -21   -4    7 o    9.800000      0.2400000       9.559000 0.3394000       10.04000      0.3393000     -0.4826000      0.4799000
  1 1 1     -21   -4    8 o    4.970000      0.3285000       5.344000 0.4267000       4.596000      0.4995000      0.7478000      0.6569000
  1 1 1     -21   -4    9 f    11.53000      0.2493000       11.40000 0.3515000       11.65000      0.3537000     -0.2446000      0.4987000
  1 1 1     -21   -4   10 o    3.791000      0.4385000       3.661000 0.6523000       3.921000      0.5862000     -0.2597000      0.8770000
  1 1 1     -21   -4   11 o    9.179000      0.2582000       8.540000 0.3721000       9.818000      0.3580000      -1.278000      0.5164000
  1 1 1     -21   -4   12 o    7.835000      0.2715000       7.721000 0.3857000       7.949000      0.3822000     -0.2288000      0.5430000
  1 1 1     -21   -4   13 o    17.90000      0.2961000       17.97000 0.4213000       17.82000      0.4161000      0.1541000      0.5922000
  1 1 1     -21   -4   14 o    14.99000      0.2745000       15.30000 0.3904000       14.68000      0.3859000      0.6155000      0.5490000
  1 1 1     -21   -4   15 o    8.767000      0.2737000       8.885000 0.3924000       8.649000      0.3816000      0.2358000      0.5474000
  1 1 1     -21   -4   16 o    16.70000      0.2945000       16.92000 0.4197000       16.48000      0.4132000      0.4460000      0.5890000
  1 1 1     -21   -4   17 f    4.118000      0.4700000       3.932000 0.7147000       4.303000      0.6106000     -0.3714000      0.9400000
  1 1 1     -21   -4   18 o    12.52000      0.2710000       12.48000 0.3848000       12.56000      0.3818000     -0.8212000E-01  0.5421000
  1 1 1     -21   -4   19 o    3.403000      0.7059000       3.887000 1.002000       2.919000      0.9947000      0.9683000       1.412000
  1 1 1     -21   -4   20 o    6.024000      0.3775000       5.758000 0.5523000       6.290000      0.5149000     -0.5316000      0.7551000
  1 1 1     -21   -4   21 o    3.404000      0.7256000       2.605000 1.038000       4.203000       1.014000      -1.599000       1.451000
  1 1 1     -21   -4   22 o    5.631000      0.6572000       5.492000 0.9360000       5.770000      0.9227000     -0.2781000       1.314000
  1 1 1     -21   -4   23 o    12.01000      0.3725000       12.41000 0.6102000       11.62000      0.4273000      0.7934000      0.7450000
  1 1 1     -21   -4   24 o    7.320000      0.3690000       7.508000 0.5150000       7.132000      0.5286000      0.3766000      0.7380000
  1 1 1     -21   -4   25 o    3.833000      0.6066000       3.362000 0.9197000       4.303000      0.7912000     -0.9407000       1.213000
  1 1 1     -21   -4   26 o    2.251000      0.6449000       2.341000 0.9209000       2.160000      0.9031000      0.1809000       1.290000
  1 1 1     -21   -4   27 o    3.082000      0.6490000       3.608000 0.9052000       2.556000      0.9303000       1.052000       1.298000
  1 1 1     -21   -4   28 o    4.517000      0.5755000       4.095000 0.8846000       4.939000      0.7364000     -0.8442000       1.151000
  1 1 1     -21   -4   29 o    2.051000      0.6221000       2.184000 0.9062000       1.919000      0.8525000      0.2653000       1.244000
  1 1 1     -21   -4   30 o    3.074000      0.6797000       3.318000 0.9389000       2.831000      0.9831000      0.4872000       1.359000
  1 1 1     -21   -3    1 o    11.51000      0.2313000       11.33000 0.3214000       11.68000      0.3326000     -0.3528000      0.4625000
  1 1 1     -21   -3    2 o    6.905000      0.3447000       6.868000 0.4939000       6.943000      0.4811000     -0.7548000E-01  0.6895000
  1 1 1     -21   -3    3 o    15.08000      0.2563000       15.34000 0.3625000       14.81000      0.3624000      0.5367000      0.5126000
  1 1 1     -21   -3    4 o    5.594000      0.2885000       5.621000 0.4098000       5.566000      0.4061000      0.5435000E-01  0.5769000
  1 1 1     -21   -3    5 o    14.45000      0.3636000       14.20000 0.5089000       14.70000      0.5194000     -0.5047000      0.7271000
  1 1 1     -21   -3    6 o    5.772000      0.2895000       5.887000 0.4144000       5.658000      0.4044000      0.2283000      0.5790000
  1 1 1     -21   -3    7 o    5.375000      0.3156000       4.905000 0.4723000       5.845000      0.4188000     -0.9398000      0.6312000
  1 1 1     -21   -3    8 f    8.249000      0.2536000       8.267000 0.3591000       8.231000      0.3583000      0.3605000E-01  0.5073000
  1 1 1     -21   -3    9 o    7.474000      0.2667000       7.444000 0.3810000       7.503000      0.3733000     -0.5893000E-01  0.5334000
  1 1 1     -21   -3   10 o    3.018000      0.4988000       2.802000 0.7376000       3.235000      0.6718000     -0.4327000      0.9977000
  1 1 1     -21   -3   11 o    13.70000      0.2596000       13.24000 0.3615000       14.15000      0.3726000     -0.9142000      0.5191000
  1 1 1     -21   -3   12 o    8.389000      0.2596000       8.390000 0.3720000       8.387000      0.3622000      0.2925000E-02  0.5192000
  1 1 1     -21   -3   13 o    4.327000      0.3869000       4.698000 0.5239000       3.956000      0.5695000      0.7417000      0.7738000
  1 1 1     -21   -3   14 o    13.34000      0.2667000       13.12000 0.3754000       13.57000      0.3790000     -0.4517000      0.5335000
  1 1 1     -21   -3   15 o    11.29000      0.2607000       11.48000 0.3682000       11.09000      0.3690000      0.3822000      0.5213000
  1 1 1     -21   -3   16 o    2.741000      0.5537000       3.206000 0.7620000       2.277000      0.8035000      0.9294000       1.107000
  1 1 1     -21   -3   17 o    4.705000      0.4270000       4.425000 0.6395000       4.986000      0.5662000     -0.5608000      0.8541000
  1 1 1     -21   -3   18 o    10.66000      0.3910000       11.01000 0.5653000       10.31000      0.5404000      0.7070000      0.7821000
  1 1 1     -21   -3   19 o    2.161000      0.5785000       2.754000 0.8992000       1.569000      0.7281000       1.185000       1.157000
  1 1 1     -21   -3   20 o    3.570000      0.5792000       4.256000 0.7382000       2.885000      0.8927000       1.371000       1.158000
  1 1 1     -21   -3   21 o    5.809000      0.6021000       5.510000 0.8896000       6.108000      0.8115000     -0.5989000       1.204000
  1 1 1     -21   -3   22 o    3.865000      0.6001000       4.374000 0.7705000       3.356000      0.9202000       1.019000       1.200000
  1 1 1     -21   -3   23 o    4.472000      0.5375000       4.170000 0.8086000       4.774000      0.7082000     -0.6037000       1.075000
  1 1 1     -21   -3   24 o    4.670000      0.5393000       5.000000 0.6982000       4.339000      0.8221000      0.6615000       1.079000
  1 1 1     -21   -3   25 o    2.154000      0.6154000       1.961000 0.8388000       2.348000      0.9008000     -0.3874000       1.231000
  1 1 1     -21   -3   26 f    2.338000      0.6464000       2.750000 0.9702000       1.925000      0.8544000      0.8251000       1.293000
  1 1 1     -21   -3   27 o    2.442000      0.6624000       2.526000 0.9557000       2.359000      0.9175000      0.1672000       1.325000
  1 1 1     -21   -3   28 o    2.071000      0.6147000       2.176000 0.8938000       1.966000      0.8441000      0.2096000       1.229000
  1 1 1     -21   -3   29 o    3.969000      0.6119000       3.762000 0.8820000       4.177000      0.8484000     -0.4149000       1.224000
  1 1 1     -21   -3   30 o    3.340000      0.6422000       3.851000 0.8559000       2.828000      0.9577000       1.022000       1.284000
  1 1 1     -21   -2    1 o    11.00000      0.3137000       11.05000 0.4477000       10.95000      0.4395000      0.1042000      0.6274000
  1 1 1     -21   -2    2 o    4.211000      0.4099000       4.788000 0.5728000       3.634000      0.5866000       1.154000      0.8199000
  1 1 1     -21   -2    3 f    17.35000      0.2777000       17.59000 0.3943000       17.11000      0.3911000      0.4792000      0.5553000
  1 1 1     -21   -2    4 f    4.706000      0.4289000       4.470000 0.5493000       4.941000      0.6589000     -0.4716000      0.8578000
  1 1 1     -21   -2    5 o    11.79000      0.3436000       11.96000 0.4813000       11.61000      0.4906000      0.3482000      0.6873000
  1 1 1     -21   -2    6 o    2.948000      0.4733000       2.329000 0.7289000       3.567000      0.6038000      -1.238000      0.9465000
  1 1 1     -21   -2    7 o    12.30000      0.2423000       12.33000 0.3459000       12.27000      0.3393000      0.6288000E-01  0.4845000
  1 1 1     -21   -2    8 o    9.776000      0.2427000       9.513000 0.3427000       10.04000      0.3436000     -0.5269000      0.4854000
  1 1 1     -21   -2    9 o    11.65000      0.2490000       11.47000 0.3478000       11.83000      0.3564000     -0.3660000      0.4980000
  1 1 1     -21   -2   10 o    12.48000      0.2519000       12.18000 0.3553000       12.77000      0.3572000     -0.5908000      0.5039000
  1 1 1     -21   -2   11 o    12.52000      0.2554000       12.84000 0.3578000       12.19000      0.3644000      0.6446000      0.5107000
  1 1 1     -21   -2   12 o    1.615000      0.4820000       1.446000 0.6408000       1.785000      0.7202000     -0.3398000      0.9640000
  1 1 1     -21   -2   13 o    4.738000      0.3841000       4.254000 0.5917000       5.221000      0.4899000     -0.9668000      0.7682000
  1 1 1     -21   -2   14 o    19.62000      0.3149000       19.78000 0.4468000       19.47000      0.4438000      0.3091000      0.6297000
  1 1 1     -21   -2   15 o    18.84000      0.3099000       18.48000 0.4348000       19.19000      0.4417000     -0.7104000      0.6198000
  1 1 1     -21   -2   16 o    14.03000      0.2752000       14.11000 0.3894000       13.94000      0.3889000      0.1667000      0.5504000
  1 1 1     -21   -2   17 o    6.556000      0.3347000       6.477000 0.4781000       6.635000      0.4685000     -0.1573000      0.6694000
  1 1 1     -21   -2   18 o    2.581000      0.6916000       2.799000 0.9972000       2.364000      0.9586000      0.4352000       1.383000
  1 1 1     -21   -2   19 o    9.376000      0.2880000       9.507000 0.4142000       9.245000      0.4004000      0.2620000      0.5761000
  1 1 1     -21   -2   20 o    13.63000      0.4226000       13.26000 0.5883000       14.00000      0.6067000     -0.7439000      0.8451000
  1 1 1     -21   -2   21 o    8.733000      0.4672000       8.716000 0.6518000       8.751000      0.6696000     -0.3472000E-01  0.9345000
  1 1 1     -21   -2   22 o    4.616000      0.5360000       4.383000 0.7940000       4.848000      0.7202000     -0.4659000       1.072000
  1 1 1     -21   -2   23 o    8.387000      0.3439000       8.524000 0.4793000       8.250000      0.4932000      0.2735000      0.6877000
  1 1 1     -21   -2   24 f    3.644000      0.6323000       3.888000 0.8452000       3.399000      0.9406000      0.4893000       1.265000
  1 1 1     -21   -2   25 o    3.218000      0.6354000       3.584000 0.8871000       2.851000      0.9101000      0.7325000       1.271000
  1 1 1     -21   -2   26 o    2.089000      0.6244000       2.274000 0.9183000       1.904000      0.8464000      0.3702000       1.249000
  1 1 1     -21   -2   27 o    3.444000      0.6659000       3.898000 0.9159000       2.990000      0.9668000      0.9076000       1.332000
  1 1 1     -21   -2   28 o    2.361000      0.6530000       2.294000 0.9219000       2.429000      0.9250000     -0.1344000       1.306000
  1 1 1     -21   -2   29 o    7.447000      0.3608000       7.757000 0.5115000       7.137000      0.5090000      0.6192000      0.7216000
  1 1 1     -21   -2   30 o    5.702000      0.4477000       5.890000 0.6112000       5.515000      0.6545000      0.3751000      0.8955000
  1 1 1     -21   -1    1 o    8.550000      0.3105000       8.546000 0.4400000       8.554000      0.4381000     -0.8864000E-02  0.6209000
  1 1 1     -21   -1    2 o    6.681000      0.3464000       6.681000 0.3464000                  ?              ?              ?              ?
  1 1 1     -21   -1    3 o    2.027000      0.5081000       2.214000 0.7253000       1.839000      0.7118000      0.3753000       1.016000
  1 1 1     -21   -1    4 o    8.400000      0.5041000                  ?       ?   8.400000      0.5041000                  ?              ?
  1 1 1     -21   -1    5 o    11.96000      0.2387000       11.68000 0.3359000       12.24000      0.3392000     -0.5598000      0.4774000
  1 1 1     -21   -1    6 o    5.720000      0.2932000       5.952000 0.4116000       5.488000      0.4176000      0.4634000      0.5863000
  1 1 1     -21   -1    7 o    16.25000      0.2701000       16.20000 0.3826000       16.30000      0.3813000     -0.9393000E-01  0.5401000
  1 1 1     -21   -1    8 o    13.05000      0.2521000       12.68000 0.3524000       13.43000      0.3605000     -0.7506000      0.5041000
  1 1 1     -21   -1    9 o    22.08000      0.3334000       22.23000 0.4731000       21.93000      0.4698000      0.3029000      0.6668000
  1 1 1     -21   -1   10 o    13.15000      0.2576000       13.13000 0.3640000       13.17000      0.3646000     -0.4266000E-01  0.5152000
  1 1 1     -21   -1   11 o    3.536000      0.4310000       3.299000 0.6650000       3.772000      0.5483000     -0.4725000      0.8619000
  1 1 1     -21   -1   12 o    5.999000      0.3023000       5.744000 0.4435000       6.253000      0.4109000     -0.5086000      0.6046000
  1 1 1     -21   -1   13 o    7.605000      0.2695000       7.373000 0.3862000       7.836000      0.3760000     -0.4632000      0.5390000
  1 1 1     -21   -1   14 o    20.96000      0.3281000       21.92000 0.4778000       20.00000      0.4499000       1.924000      0.6563000
  1 1 1     -21   -1   15 o    12.45000      0.2659000       12.42000 0.3737000       12.48000      0.3783000     -0.5639000E-01  0.5317000
  1 1 1     -21   -1   16 o    4.522000      0.4386000       4.381000 0.6369000       4.663000      0.6030000     -0.2822000      0.8771000
  1 1 1     -21   -1   17 o    6.075000      0.4484000       6.513000 0.6422000       5.636000      0.6259000      0.8765000      0.8968000
  1 1 1     -21   -1   18 o    6.209000      0.3563000       5.728000 0.5548000       6.690000      0.4470000     -0.9616000      0.7125000
  1 1 1     -21   -1   19 o    5.792000      0.3658000       5.732000 0.5358000       5.853000      0.4982000     -0.1215000      0.7317000
  1 1 1     -21   -1   20 o    11.54000      0.4004000       11.85000 0.5458000       11.23000      0.5861000      0.6172000      0.8009000
  1 1 1     -21   -1   21 o    10.37000      0.3004000       10.02000 0.4250000       10.71000      0.4247000     -0.6904000      0.6008000
  1 1 1     -21   -1   22 o    2.828000      0.6125000       2.141000 0.8557000       3.515000      0.8767000      -1.374000       1.225000
  1 1 1     -21   -1   23 f    9.483000      0.3235000       9.410000 0.4573000       9.556000      0.4577000     -0.1464000      0.6470000
  1 1 1     -21   -1   24 f    2.209000      0.6321000       2.359000 0.9185000       2.058000      0.8686000      0.3005000       1.264000
  1 1 1     -21   -1   25 o    3.764000      0.6363000       3.788000 0.9275000       3.740000      0.8713000      0.4795000E-01   1.273000
  1 1 1     -21   -1   26 o    3.761000      0.6097000       3.421000 0.9420000       4.101000      0.7743000     -0.6800000       1.219000
  1 1 1     -21   -1   27 o    2.578000      0.6448000       2.744000 0.9512000       2.411000      0.8709000      0.3332000       1.290000
  1 1 1     -21   -1   28 o    3.276000      0.6740000       3.755000 0.9322000       2.797000      0.9736000      0.9580000       1.348000
  1 1 1     -21   -1   29 o    6.121000      0.4268000       6.304000 0.5878000       5.939000      0.6188000      0.3651000      0.8535000
  1 1 1     -21   -1   30 o    1.843000      0.5717000       1.614000 0.7596000       2.072000      0.8545000     -0.4573000       1.143000
  1 1 1     -21    0    1 o    9.197000      0.2276000       8.818000 0.3194000       9.576000      0.3243000     -0.7572000      0.4552000
  1 1 1     -21    0    2 o    8.441000      0.2301000       8.742000 0.3238000       8.140000      0.3270000      0.6018000      0.4601000
  1 1 1     -21    0    3 o    13.75000      0.3520000       13.64000 0.4863000       13.86000      0.5091000     -0.2173000      0.7041000
  1 1 1     -21    0    4 o    2.742000      0.4929000       2.731000 0.6971000       2.754000      0.6969000     -0.2332000E-01  0.9857000
  1 1 1     -21    0    5 o    7.290000      0.2467000       7.019000 0.3594000       7.560000      0.3380000     -0.5414000      0.4934000
  1 1 1     -21    0    6 o    11.77000      0.2412000       11.98000 0.3448000       11.55000      0.3373000      0.4325000      0.4824000
  1 1 1     -21    0    7 o    11.17000      0.2371000       11.06000 0.3371000       11.29000      0.3335000     -0.2250000      0.4742000
  1 1 1     -21    0    8 o    11.87000      0.2463000       11.62000 0.3465000       12.12000      0.3501000     -0.4927000      0.4926000
  1 1 1     -21    0    9 o    17.26000      0.2825000       17.24000 0.3981000       17.27000      0.4009000     -0.2871000E-01  0.5650000
  1 1 1     -21    0   10 o    2.927000      0.5167000       2.912000 0.7148000       2.943000      0.7464000     -0.3103000E-01   1.033000
  1 1 1     -21    0   11 o    3.048000      0.4834000       3.539000 0.6428000       2.558000      0.7222000      0.9819000      0.9668000
  1 1 1     -21    0   12 o    7.108000      0.2742000       7.536000 0.3812000       6.680000      0.3942000      0.8560000      0.5483000
  1 1 1     -21    0   13 o    8.094000      0.2781000       8.228000 0.3891000       7.960000      0.3974000      0.2684000      0.5562000
  1 1 1     -21    0   14 o    3.417000      0.4848000       3.496000 0.6833000       3.339000      0.6879000      0.1573000      0.9696000
  1 1 1     -21    0   15 o    5.437000      0.3308000       5.357000 0.4788000       5.517000      0.4565000     -0.1598000      0.6615000
  1 1 1     -21    0   16 o    4.603000      0.5771000       4.431000 0.8757000       4.775000      0.7518000     -0.3439000       1.154000
  1 1 1     -21    0   17 o    6.602000      0.4446000       7.109000 0.6237000       6.095000      0.6339000       1.014000      0.8893000
  1 1 1     -21    0   18 o    4.925000      0.4201000       5.064000 0.5888000       4.785000      0.5994000      0.2784000      0.8402000
  1 1 1     -21    0   19 o    3.179000      0.7333000       2.289000 0.9816000       4.068000       1.090000      -1.780000       1.467000
  1 1 1     -21    0   20 o    12.49000      0.4040000       11.76000 0.5558000       13.21000      0.5865000      -1.448000      0.8081000
  1 1 1     -21    0   21 o    4.917000      0.4968000       4.290000 0.7772000       5.544000      0.6191000      -1.254000      0.9937000
  1 1 1     -21    0   22 o    2.963000      0.6638000       3.148000 0.9338000       2.778000      0.9435000      0.3704000       1.328000
  1 1 1     -21    0   23 o    9.326000      0.3124000       9.328000 0.4365000       9.324000      0.4472000      0.4637000E-02  0.6249000
  1 1 1     -21    0   24 o    3.990000      0.5909000       2.727000 0.9637000       5.254000      0.6841000      -2.527000       1.182000
  1 1 1     -21    0   25 o    4.104000      0.6064000       3.997000 0.8932000       4.211000      0.8204000     -0.2145000       1.213000
  1 1 1     -21    0   26 o    3.752000      0.5978000       3.960000 0.8228000       3.544000      0.8674000      0.4160000       1.196000
  1 1 1     -21    0   27 o    3.752000      0.6228000       4.190000 0.8452000       3.313000      0.9149000      0.8771000       1.246000
  1 1 1     -21    0   28 o    3.120000      0.6461000       3.500000 0.9120000       2.739000      0.9154000      0.7608000       1.292000
  1 1 1     -21    0   29 o    4.561000      0.4946000       4.315000 0.7337000       4.808000      0.6636000     -0.4929000      0.9893000
  1 1 1     -21    1    1 o    8.217000      0.2352000       8.440000 0.3105000       7.994000      0.3534000      0.4458000      0.4704000
  1 1 1     -21    1    2 o    3.936000      0.5159000       3.300000 0.7674000       4.572000      0.6898000      -1.272000       1.032000
  1 1 1     -21    1    3 o    5.210000      0.3657000       4.737000 0.6223000       5.683000      0.3843000     -0.9457000      0.7314000
  1 1 1     -21    1    4 o    12.73000      0.2390000       12.74000 0.3365000       12.72000      0.3394000      0.2110000E-01  0.4779000
  1 1 1     -21    1    5 f    3.846000      0.3564000       4.130000 0.4581000       3.563000      0.5461000      0.5670000      0.7128000
  1 1 1     -21    1    6 o    8.316000      0.2401000       8.343000 0.3425000       8.288000      0.3366000      0.5443000E-01  0.4802000
  1 1 1     -21    1    7 o    6.284000      0.2726000       6.105000 0.3969000       6.462000      0.3737000     -0.3574000      0.5452000
  1 1 1     -21    1    8 o    11.59000      0.2420000       11.77000 0.3436000       11.42000      0.3409000      0.3463000      0.4840000
  1 1 1     -21    1    9 o    7.147000      0.2592000       7.274000 0.3655000       7.020000      0.3675000      0.2540000      0.5183000
  1 1 1     -21    1   10 o    2.916000      0.5190000       2.867000 0.7490000       2.966000      0.7188000     -0.9964000E-01   1.038000
  1 1 1     -21    1   11 o    3.299000      0.4547000       3.078000 0.6957000       3.520000      0.5857000     -0.4413000      0.9095000
  1 1 1     -21    1   12 o    4.661000      0.3690000       4.690000 0.5133000       4.632000      0.5303000      0.5811000E-01  0.7381000
  1 1 1     -21    1   13 o    9.560000      0.2597000       9.875000 0.3719000       9.244000      0.3626000      0.6316000      0.5194000
  1 1 1     -21    1   14 o    8.222000      0.2725000       7.781000 0.3993000       8.663000      0.3709000     -0.8815000      0.5450000
  1 1 1     -21    1   15 o    6.360000      0.3127000       6.838000 0.4317000       5.883000      0.4525000      0.9550000      0.6253000
  1 1 1     -21    1   16 o    3.899000      0.5854000       4.853000 0.7364000       2.945000      0.9102000       1.908000       1.171000
  1 1 1     -21    1   17 o    5.942000      0.3484000       6.124000 0.4880000       5.759000      0.4975000      0.3653000      0.6969000
  1 1 1     -21    1   18 o    7.226000      0.3103000       7.142000 0.4470000       7.310000      0.4306000     -0.1681000      0.6207000
  1 1 1     -21    1   19 o    4.346000      0.7062000       4.825000 0.8885000       3.867000       1.098000      0.9580000       1.412000
  1 1 1     -21    1   20 o    8.888000      0.3108000       9.738000 0.4276000       8.038000      0.4512000       1.699000      0.6216000
  1 1 1     -21    1   21 o    5.783000      0.3889000       6.002000 0.5415000       5.564000      0.5583000      0.4377000      0.7778000
  1 1 1     -21    1   22 o    6.522000      0.3614000       6.666000 0.5121000       6.377000      0.5100000      0.2889000      0.7227000
  1 1 1     -21    1   23 o    6.446000      0.3873000       6.449000 0.5547000       6.443000      0.5407000      0.5721000E-02  0.7746000
  1 1 1     -21    1   24 o    4.664000      0.5121000       4.412000 0.7662000       4.917000      0.6798000     -0.5043000       1.024000
  1 1 1     -21    1   25 o    2.659000      0.5906000       3.516000 0.8733000       1.801000      0.7953000       1.716000       1.181000
  1 1 1     -21    1   26 o    3.393000      0.6088000       2.762000 0.9564000       4.023000      0.7535000      -1.261000       1.218000
  1 1 1     -21    1   27 o    2.832000      0.6747000       2.694000 0.9662000       2.971000      0.9419000     -0.2764000       1.349000
  1 1 1     -21    1   28 o    3.102000      0.6648000       3.533000 0.9286000       2.671000      0.9516000      0.8625000       1.330000
  1 1 1     -21    1   29 o    2.590000      0.6266000       3.042000 0.9117000       2.138000      0.8600000      0.9046000       1.253000
  1 1 1     -21    2    1 o    9.932000      0.3258000       10.15000 0.4440000       9.715000      0.4769000      0.4340000      0.6516000
  1 1 1     -21    2    2 o    4.277000      0.4690000       4.039000 0.6344000       4.514000      0.6911000     -0.4752000      0.9381000
  1 1 1     -21    2    3 o    1.245000      0.4149000       1.204000 0.5639000       1.285000      0.6087000     -0.8102000E-01  0.8297000
  1 1 1     -21    2    4 o    5.962000      0.2879000       5.622000 0.3961000       6.301000      0.4179000     -0.6784000      0.5758000
  1 1 1     -21    2    5 o    7.633000      0.2503000       7.360000 0.3214000       7.905000      0.3837000     -0.5453000      0.5006000
  1 1 1     -21    2    6 o    16.82000      0.2799000       16.86000 0.3903000       16.78000      0.4012000      0.7163000E-01  0.5598000
  1 1 1     -21    2    7 o    12.40000      0.3053000       12.51000 0.3441000       12.29000      0.5045000      0.2277000      0.6107000
  1 1 1     -21    2    8 o    15.46000      0.2669000       15.53000 0.3776000       15.40000      0.3773000      0.1339000      0.5338000
  1 1 1     -21    2    9 o    5.361000      0.2997000       5.700000 0.4074000       5.022000      0.4396000      0.6781000      0.5993000
  1 1 1     -21    2   10 o    8.241000      0.2543000       8.586000 0.3566000       7.895000      0.3626000      0.6910000      0.5085000
  1 1 1     -21    2   11 o    8.972000      0.2476000       8.873000 0.3525000       9.072000      0.3479000     -0.1993000      0.4953000
  1 1 1     -21    2   12 f    4.351000      0.3833000       4.325000 0.5613000       4.376000      0.5222000     -0.5104000E-01  0.7667000
  1 1 1     -21    2   13 o    2.083000      0.5428000       2.512000 0.8142000       1.653000      0.7180000      0.8586000       1.086000
  1 1 1     -21    2   14 o    11.82000      0.2610000       12.17000 0.3698000       11.47000      0.3684000      0.6957000      0.5220000
  1 1 1     -21    2   15 o    2.558000      0.6414000       2.093000 0.8733000       3.023000      0.9397000     -0.9296000       1.283000
  1 1 1     -21    2   16 o    5.751000      0.3460000       5.414000 0.5334000       6.087000      0.4410000     -0.6737000      0.6921000
  1 1 1     -21    2   17 o    3.391000      0.5431000       3.481000 0.7942000       3.302000      0.7410000      0.1784000       1.086000
  1 1 1     -21    2   18 o    3.755000      0.7530000       3.673000 1.030000       3.837000       1.098000     -0.1641000       1.506000
  1 1 1     -21    2   19 o    4.444000      0.4891000       3.811000 0.7820000       5.076000      0.5876000      -1.265000      0.9782000
  1 1 1     -21    2   20 o    8.695000      0.2976000       8.749000 0.4290000       8.641000      0.4125000      0.1082000      0.5951000
  1 1 1     -21    2   21 o    6.219000      0.3813000       5.891000 0.5708000       6.546000      0.5056000     -0.6548000      0.7625000
  1 1 1     -21    2   22 o    5.969000      0.3909000       6.072000 0.5637000       5.866000      0.5418000      0.2052000      0.7819000
  1 1 1     -21    2   23 o    2.861000      0.6275000       2.985000 0.8820000       2.738000      0.8927000      0.2466000       1.255000
  1 1 1     -21    2   24 o    6.314000      0.3662000       5.728000 0.5677000       6.899000      0.4626000      -1.171000      0.7324000
  1 1 1     -21    2   25 o    3.802000      0.5703000       4.399000 0.7561000       3.205000      0.8540000       1.194000       1.141000
  1 1 1     -21    2   26 o    4.669000      0.5004000       4.773000 0.7288000       4.566000      0.6858000      0.2074000       1.001000
  1 1 1     -21    2   27 o    3.098000      0.6440000       2.850000 0.9581000       3.347000      0.8609000     -0.4975000       1.288000
  1 1 1     -21    2   28 o    4.183000      0.5195000       4.229000 0.7402000       4.136000      0.7291000      0.9310000E-01   1.039000
  1 1 1     -21    3    2 o    2.544000      0.4945000       2.927000 0.5970000       2.161000      0.7885000      0.7660000      0.9890000
  1 1 1     -21    3    3 o    9.077000      0.3251000       9.077000 0.3251000                  ?              ?              ?              ?
  1 1 1     -21    3    4 o    15.04000      0.2635000       14.71000 0.3569000       15.37000      0.3877000     -0.6608000      0.5270000
  1 1 1     -21    3    5 o    6.760000      0.4289000                  ?       ?   6.760000      0.4289000                  ?              ?
  1 1 1     -21    3    6 o    8.362000      0.2615000       8.059000 0.3565000       8.664000      0.3826000     -0.6044000      0.5230000
  1 1 1     -21    3    7 o    5.072000      0.3493000       4.723000 0.4871000       5.422000      0.5008000     -0.6988000      0.6986000
  1 1 1     -21    3    8 o    5.268000      0.3337000       5.473000 0.4407000       5.064000      0.5012000      0.4084000      0.6674000
  1 1 1     -21    3    9 o    3.867000      0.4361000       3.981000 0.5440000       3.753000      0.6817000      0.2286000      0.8721000
  1 1 1     -21    3   10 o    7.008000      0.2901000       7.142000 0.3816000       6.875000      0.4370000      0.2670000      0.5802000
  1 1 1     -21    3   11 o    8.763000      0.2705000       8.995000 0.3615000       8.531000      0.4025000      0.4643000      0.5410000
  1 1 1     -21    3   12 o    6.862000      0.3066000       6.464000 0.4089000       7.260000      0.4570000     -0.7964000      0.6133000
  1 1 1     -21    3   13 o    1.941000      0.5582000       1.692000 0.7203000       2.190000      0.8530000     -0.4980000       1.116000
  1 1 1     -21    3   14 o    7.800000      0.5718000       7.800000 0.5718000                  ?              ?              ?              ?
  1 1 1     -21    3   15 o    9.558000      0.3334000       9.690000 0.3717000       9.426000      0.5536000      0.2642000      0.6668000
  1 1 1     -21    3   16 o    9.692000      0.2737000       9.407000 0.4036000       9.978000      0.3697000     -0.5715000      0.5474000
  1 1 1     -21    3   17 o    2.608000      0.6822000       2.100000 0.8995000       3.116000       1.026000      -1.016000       1.364000
  1 1 1     -21    3   18 o    1.915000      0.5460000       2.327000 0.8348000       1.503000      0.7039000      0.8238000       1.092000
  1 1 1     -21    3   19 o    4.104000      0.5492000       3.157000 0.9071000       5.052000      0.6195000      -1.895000       1.098000
  1 1 1     -21    3   20 o    2.591000      0.6361000       2.450000 0.9112000       2.732000      0.8878000     -0.2814000       1.272000
  1 1 1     -21    3   21 o    2.590000      0.6206000       2.679000 0.8891000       2.501000      0.8661000      0.1780000       1.241000
  1 1 1     -21    3   22 o    3.035000      0.5960000       2.316000 0.8846000       3.753000      0.7990000      -1.437000       1.192000
  1 1 1     -21    3   23 o    2.358000      0.6220000       2.313000 0.8805000       2.403000      0.8788000     -0.8952000E-01   1.244000
  1 1 1     -21    3   24 o    7.617000      0.3461000       7.763000 0.4824000       7.471000      0.4964000      0.2928000      0.6922000
  1 1 1     -21    3   25 o    7.260000      0.3628000       7.485000 0.5195000       7.036000      0.5066000      0.4489000      0.7256000
  1 1 1     -21    3   26 o    4.118000      0.5699000       3.810000 0.8611000       4.426000      0.7468000     -0.6159000       1.140000
  1 1 1     -21    3   27 o    3.170000      0.6251000       2.878000 0.9258000       3.461000      0.8403000     -0.5836000       1.250000
  1 1 1     -21    3   28 o    2.544000      0.6341000       2.830000 0.9132000       2.258000      0.8799000      0.5725000       1.268000
  1 1 1     -21    4    1 o    1.555000      0.4710000       1.569000 0.6497000       1.540000      0.6822000      0.2868000E-01  0.9421000
  1 1 1     -21    4    2 o    10.62000      0.2435000       10.90000 0.3233000       10.33000      0.3642000      0.5642000      0.4870000
  1 1 1     -21    4    3 o    5.102000      0.3581000       5.359000 0.3999000       4.845000      0.5942000      0.5142000      0.7163000
  1 1 1     -21    4    4 o    9.642000      0.2481000       9.461000 0.3338000       9.823000      0.3671000     -0.3616000      0.4962000
  1 1 1     -21    4    5 o    7.366000      0.3220000       7.192000 0.4997000       7.541000      0.4064000     -0.3493000      0.6441000
  1 1 1     -21    4    6 o    6.710000      0.2893000       7.207000 0.3683000       6.212000      0.4463000      0.9948000      0.5786000
  1 1 1     -21    4    7 o    4.835000      0.3514000       5.066000 0.4609000       4.605000      0.5307000      0.4610000      0.7029000
  1 1 1     -21    4    8 o    1.423000      0.4605000       1.282000 0.5984000       1.564000      0.7001000     -0.2814000      0.9210000
  1 1 1     -21    4    9 o    8.433000      0.2719000       8.529000 0.3575000       8.338000      0.4097000      0.1904000      0.5438000
  1 1 1     -21    4   10 o    3.542000      0.5083000       3.772000 0.6289000       3.311000      0.7987000      0.4606000       1.017000
  1 1 1     -21    4   11 o    3.981000      0.4788000       4.520000 0.5432000       3.442000      0.7886000       1.079000      0.9576000
  1 1 1     -21    4   12 o    11.99000      0.2687000       12.03000 0.3583000       11.95000      0.4005000      0.7988000E-01  0.5374000
  1 1 1     -21    4   13 o    5.599000      0.5691000       6.098000 0.6547000       5.100000      0.9310000      0.9974000       1.138000
  1 1 1     -21    4   14 o    7.478000      0.4639000       7.013000 0.5942000       7.944000      0.7125000     -0.9317000      0.9277000
  1 1 1     -21    4   15 o    8.062000      0.3179000       8.309000 0.4063000       7.815000      0.4890000      0.4937000      0.6358000
  1 1 1     -21    4   16 f    12.94000      0.4133000       13.55000 0.5784000       12.32000      0.5905000       1.230000      0.8265000
  1 1 1     -21    4   17 o    4.113000      0.7070000       5.104000 0.8743000       3.122000       1.111000       1.982000       1.414000
  1 1 1     -21    4   18 o    4.985000      0.4751000       5.277000 0.5693000       4.692000      0.7608000      0.5844000      0.9502000
  1 1 1     -21    4   19 f    3.329000      0.6383000       3.585000 0.8544000       3.073000      0.9486000      0.5121000       1.277000
  1 1 1     -21    4   20 o    5.469000      0.4454000       4.807000 0.6313000       6.131000      0.6285000      -1.324000      0.8909000
  1 1 1     -21    4   21 o    6.402000      0.4083000       6.401000 0.5057000       6.403000      0.6413000     -0.1923000E-02  0.8167000
  1 1 1     -21    4   22 o    3.778000      0.6111000       3.169000 0.8904000       4.387000      0.8373000      -1.218000       1.222000
  1 1 1     -21    4   23 o    6.061000      0.4363000       6.030000 0.6044000       6.091000      0.6294000     -0.6135000E-01  0.8726000
  1 1 1     -21    4   24 o    7.481000      0.3620000       7.373000 0.4742000       7.590000      0.5471000     -0.2167000      0.7240000
  1 1 1     -21    4   25 o    5.249000      0.4734000       5.785000 0.5712000       4.713000      0.7552000       1.072000      0.9469000
  1 1 1     -21    4   26 o    3.155000      0.6183000       3.930000 0.8388000       2.380000      0.9087000       1.550000       1.237000
  1 1 1     -21    4   27 o    2.183000      0.6124000       1.861000 0.8124000       2.504000      0.9166000     -0.6430000       1.225000
  1 1 1     -21    5    1 o    6.963000      0.2581000       7.217000 0.3203000       6.708000      0.4049000      0.5096000      0.5163000
  1 1 1     -21    5    2 o    11.33000      0.2434000       11.83000 0.3235000       10.83000      0.3636000       1.002000      0.4867000
  1 1 1     -21    5    3 f    5.171000      0.3260000       5.341000 0.4110000       5.001000      0.5061000      0.3396000      0.6519000
  1 1 1     -21    5    4 o    5.228000      0.3479000       5.653000 0.4066000       4.802000      0.5645000      0.8503000      0.6957000
  1 1 1     -21    5    5 o    3.594000      0.4802000       3.711000 0.5946000       3.477000      0.7543000      0.2337000      0.9605000
  1 1 1     -21    5    6 o    1.778000      0.5280000       1.652000 0.7022000       1.904000      0.7888000     -0.2521000       1.056000
  1 1 1     -21    5    7 f    4.359000      0.4276000       4.699000 0.5147000       4.019000      0.6829000      0.6799000      0.8551000
  1 1 1     -21    5    8 o    7.896000      0.2811000       8.173000 0.3626000       7.618000      0.4296000      0.5550000      0.5622000
  1 1 1     -21    5    9 o    6.487000      0.3234000       6.515000 0.4196000       6.459000      0.4922000      0.5685000E-01  0.6468000
  1 1 1     -21    5   10 o    4.807000      0.4226000       5.243000 0.4927000       4.370000      0.6866000      0.8728000      0.8451000
  1 1 1     -21    5   11 o    11.43000      0.2719000       11.37000 0.3616000       11.48000      0.4062000     -0.1101000      0.5439000
  1 1 1     -21    5   12 o    8.426000      0.4336000       9.229000 0.5196000       7.624000      0.6942000       1.605000      0.8671000
  1 1 1     -21    5   13 o    5.977000      0.5848000       6.628000 0.6210000       5.327000      0.9911000       1.302000       1.170000
  1 1 1     -21    5   14 o    9.820000      0.2870000       9.831000 0.3801000       9.808000      0.4300000      0.2264000E-01  0.5739000
  1 1 1     -21    5   15 o    7.704000      0.4404000       8.287000 0.5812000       7.121000      0.6619000       1.167000      0.8809000
  1 1 1     -21    5   16 o    10.21000      0.4086000       10.63000 0.5615000       9.788000      0.5938000      0.8465000      0.8173000
  1 1 1     -21    5   17 f    8.042000      0.3292000       8.153000 0.4140000       7.932000      0.5119000      0.2213000      0.6584000
  1 1 1     -21    5   18 o    3.399000      0.6222000       3.926000 0.7855000       2.872000      0.9651000       1.054000       1.244000
  1 1 1     -21    5   19 o    2.782000      0.6422000       2.943000 0.8506000       2.621000      0.9624000      0.3215000       1.284000
  1 1 1     -21    5   20 o    6.087000      0.4090000       5.646000 0.5607000       6.529000      0.5955000     -0.8822000      0.8179000
  1 1 1     -21    5   21 o    6.927000      0.3776000       7.160000 0.4825000       6.694000      0.5809000      0.4651000      0.7551000
  1 1 1     -21    5   22 o    6.324000      0.3916000       6.087000 0.5145000       6.561000      0.5905000     -0.4743000      0.7832000
  1 1 1     -21    5   23 o    6.452000      0.4133000       6.532000 0.5359000       6.371000      0.6294000      0.1607000      0.8266000
  1 1 1     -21    5   24 o    5.965000      0.4390000       6.081000 0.5755000       5.849000      0.6630000      0.2323000      0.8780000
  1 1 1     -21    5   25 o    2.156000      0.6208000       2.363000 0.9209000       1.949000      0.8327000      0.4145000       1.242000
  1 1 1     -21    5   26 o    2.556000      0.6453000       2.110000 0.8612000       3.002000      0.9613000     -0.8921000       1.291000
  1 1 1     -21    5   27 o    3.300000      0.5998000       4.057000 0.7557000       2.543000      0.9317000       1.514000       1.200000
  1 1 1     -21    6    1 o    5.113000      0.3173000       5.226000 0.3865000       5.000000      0.5034000      0.2255000      0.6347000
  1 1 1     -21    6    2 o    8.848000      0.2440000       8.948000 0.3227000       8.748000      0.3661000      0.2003000      0.4881000
  1 1 1     -21    6    3 o    8.681000      0.2551000       9.046000 0.3226000       8.315000      0.3953000      0.7305000      0.5102000
  1 1 1     -21    6    4 o    5.664000      0.3111000       5.748000 0.3798000       5.580000      0.4928000      0.1677000      0.6222000
  1 1 1     -21    6    5 o    4.164000      0.4092000       4.292000 0.4900000       4.035000      0.6555000      0.2563000      0.8184000
  1 1 1     -21    6    6 o    2.539000      0.5242000       2.892000 0.6488000       2.185000      0.8236000      0.7069000       1.048000
  1 1 1     -21    6    7 o    6.927000      0.2929000       6.634000 0.3910000       7.220000      0.4361000     -0.5856000      0.5858000
  1 1 1     -21    6    8 o    5.910000      0.3130000       5.859000 0.3921000       5.961000      0.4881000     -0.1021000      0.6261000
  1 1 1     -21    6    9 o    2.179000      0.5563000       1.840000 0.7179000       2.519000      0.8499000     -0.6794000       1.113000
  1 1 1     -21    6   10 o    9.650000      0.2682000       9.422000 0.3498000       9.879000      0.4067000     -0.4566000      0.5364000
  1 1 1     -21    6   11 o    3.546000      0.6926000       3.679000 0.7976000       3.414000       1.132000      0.2647000       1.385000
  1 1 1     -21    6   12 o    8.767000      0.2821000       8.518000 0.3777000       9.016000      0.4191000     -0.4985000      0.5642000
  1 1 1     -21    6   13 o    10.12000      0.2809000       9.622000 0.3746000       10.61000      0.4188000     -0.9899000      0.5619000
  1 1 1     -21    6   14 o    5.467000      0.5272000       4.936000 0.7618000       5.997000      0.7290000      -1.061000       1.054000
  1 1 1     -21    6   15 o    3.027000      0.7101000       2.588000 0.9555000       3.466000       1.051000     -0.8779000       1.420000
  1 1 1     -21    6   16 o    4.071000      0.5365000       4.222000 0.6434000       3.920000      0.8586000      0.3015000       1.073000
  1 1 1     -21    6   17 o    7.577000      0.3454000       7.922000 0.4263000       7.231000      0.5437000      0.6910000      0.6909000
  1 1 1     -21    6   18 o    5.004000      0.4875000       4.244000 0.6978000       5.763000      0.6810000      -1.520000      0.9750000
  1 1 1     -21    6   19 o    5.428000      0.4472000       5.076000 0.5943000       5.780000      0.6685000     -0.7042000      0.8945000
  1 1 1     -21    6   20 o    2.069000      0.6153000       1.870000 0.8022000       2.268000      0.9333000     -0.3980000       1.231000
  1 1 1     -21    6   21 o    6.212000      0.3950000       5.694000 0.5404000       6.730000      0.5762000      -1.036000      0.7900000
  1 1 1     -21    6   22 o    7.220000      0.3683000       7.512000 0.4758000       6.928000      0.5624000      0.5847000      0.7367000
  1 1 1     -21    6   23 o    3.628000      0.6211000       3.353000 0.8498000       3.903000      0.9060000     -0.5494000       1.242000
  1 1 1     -21    6   24 o    3.010000      0.6637000       3.111000 0.9179000       2.908000      0.9588000      0.2034000       1.327000
  1 1 1     -21    6   25 o    3.444000      0.6397000       3.045000 0.9391000       3.843000      0.8688000     -0.7977000       1.279000
  1 1 1     -21    6   26 o    3.189000      0.6487000       3.746000 0.8957000       2.632000      0.9385000       1.114000       1.297000
  1 1 1     -21    7    1 o    6.303000      0.2926000       6.194000 0.4185000       6.412000      0.4089000     -0.2180000      0.5851000
  1 1 1     -21    7    2 o    11.17000      0.2906000       10.95000 0.4494000       11.38000      0.3686000     -0.4221000      0.5812000
  1 1 1     -21    7    3 o    3.624000      0.4522000       3.761000 0.5185000       3.487000      0.7411000      0.2744000      0.9045000
  1 1 1     -21    7    4 o    6.295000      0.3641000       6.295000 0.3641000                  ?              ?              ?              ?
  1 1 1     -21    7    5 o    8.899000      0.2568000       8.956000 0.3390000       8.842000      0.3858000      0.1133000      0.5136000
  1 1 1     -21    7    6 o    5.195000      0.5280000                  ?       ?   5.195000      0.5280000                  ?              ?
  1 1 1     -21    7    7 o    3.164000      0.5400000       2.874000 0.7497000       3.453000      0.7775000     -0.5793000       1.080000
  1 1 1     -21    7    8 o    8.329000      0.2812000       8.222000 0.3736000       8.437000      0.4202000     -0.2154000      0.5623000
  1 1 1     -21    7    9 o    5.605000      0.3501000       5.474000 0.4351000       5.735000      0.5486000     -0.2610000      0.7002000
  1 1 1     -21    7   10 o    12.37000      0.3824000       12.27000 0.4820000       12.47000      0.5938000     -0.1972000      0.7648000
  1 1 1     -21    7   11 o    10.75000      0.2755000       10.96000 0.3533000       10.53000      0.4229000      0.4332000      0.5511000
  1 1 1     -21    7   12 o    7.687000      0.3017000       7.416000 0.3936000       7.959000      0.4573000     -0.5437000      0.6034000
  1 1 1     -21    7   13 o    5.487000      0.5265000       5.516000 0.7075000       5.458000      0.7798000      0.5873000E-01   1.053000
  1 1 1     -21    7   14 o    1.502000      0.5078000       1.427000 0.6708000       1.577000      0.7625000     -0.1497000       1.016000
  1 1 1     -21    7   15 o    3.984000      0.5447000       3.865000 0.7222000       4.102000      0.8157000     -0.2366000       1.089000
  1 1 1     -21    7   16 o    3.899000      0.5557000       4.746000 0.5653000       3.052000      0.9569000       1.695000       1.111000
  1 1 1     -21    7   17 o    7.015000      0.3680000       7.150000 0.4498000       6.880000      0.5825000      0.2699000      0.7360000
  1 1 1     -21    7   18 o    2.624000      0.6559000       2.381000 0.8708000       2.867000      0.9810000     -0.4869000       1.312000
  1 1 1     -21    7   19 o    6.619000      0.3854000       6.227000 0.4993000       7.011000      0.5872000     -0.7844000      0.7708000
  1 1 1     -21    7   20 o    4.040000      0.5880000       3.997000 0.7583000       4.084000      0.8989000     -0.8710000E-01   1.176000
  1 1 1     -21    7   21 o    4.931000      0.4927000       4.798000 0.6464000       5.063000      0.7438000     -0.2651000      0.9854000
  1 1 1     -21    7   22 o    3.481000      0.6078000       3.176000 0.8211000       3.786000      0.8963000     -0.6094000       1.216000
  1 1 1     -21    7   23 o    2.312000      0.6202000       1.886000 0.8146000       2.739000      0.9354000     -0.8532000       1.240000
  1 1 1     -21    7   24 o    2.273000      0.6179000       1.859000 0.8068000       2.686000      0.9361000     -0.8264000       1.236000
  1 1 1     -21    7   25 o    2.244000      0.6257000       2.152000 0.8680000       2.336000      0.9016000     -0.1841000       1.251000
  1 1 1     -21    8    1 o    9.604000      0.3110000       9.870000 0.3546000       9.337000      0.5111000      0.5321000      0.6220000
  1 1 1     -21    8    2 f    8.704000      0.2645000       8.453000 0.3844000       8.955000      0.3633000     -0.5022000      0.5290000
  1 1 1     -21    8    3 o    10.10000      0.2570000       10.02000 0.3588000       10.19000      0.3682000     -0.1730000      0.5141000
  1 1 1     -21    8    4 o    13.63000      0.3868000       13.63000 0.3868000                  ?              ?              ?              ?
  1 1 1     -21    8    5 o    10.84000      0.3050000       11.20000 0.4670000       10.49000      0.3924000      0.7144000      0.6100000
  1 1 1     -21    8    6 o    7.298000      0.3351000       6.697000 0.5144000       7.899000      0.4295000      -1.202000      0.6701000
  1 1 1     -21    8    7 o    8.495000      0.2770000       8.603000 0.3633000       8.388000      0.4183000      0.2150000      0.5540000
  1 1 1     -21    8    8 f    11.76000      0.3057000       11.56000 0.4721000       11.97000      0.3886000     -0.4117000      0.6115000
  1 1 1     -21    8    9 o    10.70000      0.3798000       10.76000 0.4758000       10.65000      0.5922000      0.1086000      0.7597000
  1 1 1     -21    8   10 o    7.054000      0.3202000       7.522000 0.3881000       6.586000      0.5093000      0.9367000      0.6403000
  1 1 1     -21    8   11 o    2.882000      0.6134000       2.691000 0.8078000       3.074000      0.9233000     -0.3827000       1.227000
  1 1 1     -21    8   12 o    7.341000      0.4493000       6.943000 0.6074000       7.738000      0.6622000     -0.7956000      0.8985000
  1 1 1     -21    8   13 o    9.309000      0.2898000       9.304000 0.3719000       9.315000      0.4446000     -0.1052000E-01  0.5796000
  1 1 1     -21    8   14 o    2.092000      0.5880000       2.184000 0.8063000       1.999000      0.8561000      0.1854000       1.176000
  1 1 1     -21    8   15 o    3.478000      0.5896000       3.915000 0.6844000       3.040000      0.9603000      0.8755000       1.179000
  1 1 1     -21    8   16 o    6.264000      0.3854000       6.455000 0.4887000       6.073000      0.5962000      0.3823000      0.7709000
  1 1 1     -21    8   17 o    2.372000      0.6015000       2.679000 0.8127000       2.065000      0.8870000      0.6133000       1.203000
  1 1 1     -21    8   18 o    3.235000      0.6275000       3.329000 0.7935000       3.140000      0.9722000      0.1894000       1.255000
  1 1 1     -21    8   19 o    2.357000      0.6411000       2.179000 0.8474000       2.536000      0.9623000     -0.3570000       1.282000
  1 1 1     -21    8   20 o    3.111000      0.6120000       2.237000 0.8630000       3.986000      0.8680000      -1.750000       1.224000
  1 1 1     -21    8   21 o    2.357000      0.6462000       2.421000 0.9008000       2.293000      0.9266000      0.1280000       1.292000
  1 1 1     -21    8   22 o    5.572000      0.4375000       4.822000 0.6571000       6.323000      0.5779000      -1.501000      0.8751000
  1 1 1     -21    8   23 o    4.867000      0.5297000       5.657000 0.6207000       4.078000      0.8585000       1.579000       1.059000
  1 1 1     -21    8   24 o    1.829000      0.5742000       1.671000 0.7735000       1.988000      0.8489000     -0.3180000       1.148000
  1 1 1     -21    8   25 o    2.343000      0.8931000                  ?       ?   2.343000      0.8931000                  ?              ?
  1 1 1     -21    9    1 o    4.094000      0.4464000       4.338000 0.5653000       3.850000      0.6910000      0.4879000      0.8927000
  1 1 1     -21    9    2 o    5.664000      0.3414000       5.387000 0.4891000       5.941000      0.4764000     -0.5544000      0.6828000
  1 1 1     -21    9    3 o    18.41000      0.3068000       18.17000 0.4309000       18.66000      0.4370000     -0.4915000      0.6137000
  1 1 1     -21    9    4 o    9.458000      0.2761000       9.543000 0.3875000       9.373000      0.3934000      0.1703000      0.5522000
  1 1 1     -21    9    5 o    10.29000      0.2816000       10.51000 0.3946000       10.07000      0.4017000      0.4372000      0.5631000
  1 1 1     -21    9    6 o    8.597000      0.2969000       8.238000 0.4161000       8.956000      0.4237000     -0.7188000      0.5938000
  1 1 1     -21    9    7 o    2.818000      0.7031000       2.402000 0.8953000       3.234000       1.084000     -0.8320000       1.406000
  1 1 1     -21    9    8 o    3.305000      0.6937000       3.801000 0.8458000       2.809000       1.100000      0.9918000       1.387000
  1 1 1     -21    9    9 o    2.281000      0.5960000       2.014000 0.7778000       2.548000      0.9033000     -0.5336000       1.192000
  1 1 1     -21    9   10 o    5.430000      0.4753000       5.438000 0.7411000       5.423000      0.5952000      0.1538000E-01  0.9505000
  1 1 1     -21    9   11 o    13.43000      0.3982000       13.03000 0.5379000       13.82000      0.5874000     -0.7911000      0.7965000
  1 1 1     -21    9   12 o    9.000000      0.3105000       9.374000 0.3911000       8.626000      0.4823000      0.7480000      0.6210000
  1 1 1     -21    9   13 o    7.145000      0.3428000       6.725000 0.4564000       7.565000      0.5115000     -0.8399000      0.6855000
  1 1 1     -21    9   14 o    3.939000      0.5615000       4.215000 0.6685000       3.662000      0.9024000      0.5531000       1.123000
  1 1 1     -21    9   15 o    3.049000      0.6236000       2.638000 0.8300000       3.461000      0.9308000     -0.8230000       1.247000
  1 1 1     -21    9   16 o    4.213000      0.5580000       3.426000 0.8307000       5.000000      0.7452000      -1.574000       1.116000
  1 1 1     -21    9   17 o    6.317000      0.3985000       6.452000 0.4892000       6.183000      0.6293000      0.2695000      0.7971000
  1 1 1     -21    9   18 o    5.699000      0.4439000       6.182000 0.5042000       5.216000      0.7307000      0.9659000      0.8878000
  1 1 1     -21    9   19 o    7.118000      0.3852000       7.605000 0.4546000       6.632000      0.6218000      0.9733000      0.7703000
  1 1 1     -21    9   20 f    2.885000      0.6649000       3.153000 0.8889000       2.617000      0.9890000      0.5357000       1.330000
  1 1 1     -21    9   21 f    3.692000      0.6139000       3.455000 0.8226000       3.929000      0.9115000     -0.4738000       1.228000
  1 1 1     -21    9   22 o    5.281000      0.4791000       5.322000 0.6467000       5.241000      0.7071000      0.8127000E-01  0.9583000
  1 1 1     -21    9   23 o    2.372000      0.6407000       2.171000 0.8608000       2.574000      0.9493000     -0.4033000       1.281000
  1 1 1     -21    9   24 o    2.971000       1.081000                  ?       ?   2.971000       1.081000                  ?              ?
  1 1 1     -21   10    1 o    4.591000      0.3997000       4.768000 0.5243000       4.414000      0.6036000      0.3545000      0.7995000
  1 1 1     -21   10    2 o    5.920000      0.3318000       6.107000 0.4391000       5.734000      0.4975000      0.3729000      0.6635000
  1 1 1     -21   10    3 o    11.33000      0.2716000       11.44000 0.3844000       11.22000      0.3839000      0.2147000      0.5433000
  1 1 1     -21   10    4 o    11.39000      0.2767000       11.40000 0.3878000       11.38000      0.3948000      0.2545000E-01  0.5535000
  1 1 1     -21   10    5 o    8.253000      0.3070000       8.098000 0.4327000       8.408000      0.4355000     -0.3095000      0.6139000
  1 1 1     -21   10    6 o    6.054000      0.4806000       6.399000 0.5228000       5.709000      0.8065000      0.6899000      0.9611000
  1 1 1     -21   10    7 o    7.504000      0.3162000       6.973000 0.4555000       8.035000      0.4389000      -1.062000      0.6325000
  1 1 1     -21   10    8 o    8.736000      0.3076000       8.084000 0.4531000       9.388000      0.4162000      -1.304000      0.6152000
  1 1 1     -21   10    9 o    9.137000      0.5058000       8.832000 0.8248000       9.443000      0.5859000     -0.6111000       1.012000
  1 1 1     -21   10   10 o    4.003000       1.086000                  ?       ?   4.003000       1.086000                  ?              ?
  1 1 1     -21   10   11 o    11.79000      0.2867000       12.18000 0.3687000       11.40000      0.4390000      0.7713000      0.5733000
  1 1 1     -21   10   12 o    6.553000      0.3724000       6.936000 0.4309000       6.170000      0.6074000      0.7655000      0.7447000
  1 1 1     -21   10   13 o    6.188000      0.3699000       6.094000 0.4822000       6.281000      0.5610000     -0.1876000      0.7398000
  1 1 1     -21   10   14 o    5.512000      0.4287000       5.801000 0.5102000       5.222000      0.6890000      0.5784000      0.8573000
  1 1 1     -21   10   15 o    3.667000      0.6026000       3.300000 0.8207000       4.033000      0.8825000     -0.7329000       1.205000
  1 1 1     -21   10   16 o    3.233000      0.6576000       3.182000 0.8521000       3.283000       1.002000     -0.1012000       1.315000
  1 1 1     -21   10   17 o    2.397000      0.6566000       2.403000 0.8793000       2.392000      0.9753000      0.1090000E-01   1.313000
  1 1 1     -21   10   18 o    5.753000      0.4355000       5.711000 0.5194000       5.795000      0.6992000     -0.8370000E-01  0.8710000
  1 1 1     -21   10   19 o    2.786000      0.6323000       3.124000 0.8415000       2.449000      0.9439000      0.6751000       1.265000
  1 1 1     -21   10   20 o    2.149000      0.6223000       2.164000 0.8561000       2.135000      0.9033000      0.2963000E-01   1.245000
  1 1 1     -21   10   21 o    2.547000      0.6470000       2.763000 0.9057000       2.331000      0.9241000      0.4325000       1.294000
  1 1 1     -21   10   22 o    2.585000      0.6375000       2.129000 0.8638000       3.040000      0.9379000     -0.9110000       1.275000
  1 1 1     -21   11    1 o    11.44000      0.2620000       11.42000 0.3734000       11.46000      0.3677000     -0.4435000E-01  0.5240000
  1 1 1     -21   11    2 f    1.565000      0.4991000       1.718000 0.7433000       1.411000      0.6664000      0.3072000      0.9983000
  1 1 1     -21   11    3 o    8.458000      0.2862000       8.632000 0.4021000       8.285000      0.4073000      0.3470000      0.5723000
  1 1 1     -21   11    4 o    2.728000      0.6767000       2.136000 0.8534000       3.320000       1.050000      -1.184000       1.353000
  1 1 1     -21   11    5 o    7.812000      0.4849000       7.812000 0.4849000                  ?              ?              ?              ?
  1 1 1     -21   11    6 o    8.742000      0.3024000       8.763000 0.4320000       8.720000      0.4233000      0.4309000E-01  0.6048000
  1 1 1     -21   11    7 o    4.346000      0.7198000                  ?       ?   4.346000      0.7198000                  ?              ?
  1 1 1     -21   11    8 o    2.344000      0.7491000       2.757000 1.199000       1.931000      0.8988000      0.8263000       1.498000
  1 1 1     -21   11    9 o    4.214000      0.5619000       4.920000 0.6585000       3.508000      0.9106000       1.412000       1.124000
  1 1 1     -21   11   10 o    2.492000      0.6489000       2.643000 0.9338000       2.341000      0.9012000      0.3021000       1.298000
  1 1 1     -21   11   11 o    7.699000      0.3482000       7.901000 0.4658000       7.496000      0.5177000      0.4051000      0.6964000
  1 1 1     -21   11   12 o    5.095000      0.4682000       4.913000 0.6771000       5.278000      0.6468000     -0.3650000      0.9364000
  1 1 1     -21   11   13 o    3.823000      0.5799000       3.720000 0.7080000       3.925000      0.9187000     -0.2051000       1.160000
  1 1 1     -21   11   14 o    4.952000      0.5055000       5.270000 0.5555000       4.634000      0.8446000      0.6356000       1.011000
  1 1 1     -21   11   15 o    2.944000      0.6465000       2.431000 0.8582000       3.457000      0.9671000      -1.026000       1.293000
  1 1 1     -21   11   16 o    4.339000      0.5401000       4.490000 0.6537000       4.188000      0.8600000      0.3023000       1.080000
  1 1 1     -21   11   17 o    2.291000      0.6180000       2.390000 0.8374000       2.192000      0.9091000      0.1980000       1.236000
  1 1 1     -21   11   18 o    4.128000      0.5731000       3.909000 0.7568000       4.347000      0.8609000     -0.4388000       1.146000
  1 1 1     -21   11   19 o    2.939000      0.6412000       2.296000 0.8837000       3.582000      0.9292000      -1.286000       1.282000
  1 1 1     -21   11   20 o    2.631000      0.6558000       2.569000 0.8918000       2.694000      0.9619000     -0.1251000       1.312000
  1 1 1     -21   11   21 o    1.988000      0.6116000       1.978000 0.8495000       1.998000      0.8802000     -0.1939000E-01   1.223000
  1 1 1     -21   12    1 o    6.434000      0.3293000       6.504000 0.4466000       6.364000      0.4841000      0.1398000      0.6586000
  1 1 1     -21   12    2 o    1.846000      0.5792000       1.363000 0.6533000       2.328000      0.9566000     -0.9654000       1.158000
  1 1 1     -21   12    3 o    3.258000      0.6440000       3.757000 0.8032000       2.760000       1.007000      0.9976000       1.288000
  1 1 1     -21   12    4 o    11.66000      0.2796000       11.38000 0.4030000       11.94000      0.3876000     -0.5556000      0.5592000
  1 1 1     -21   12    5 o    10.54000      0.3267000       10.78000 0.4129000       10.30000      0.5065000      0.4788000      0.6535000
  1 1 1     -21   12    6 o    5.775000      0.7173000       5.847000 1.170000       5.704000      0.8307000      0.1429000       1.435000
  1 1 1     -21   12    7 o    4.752000      0.6171000       4.254000 0.8185000       5.251000      0.9238000     -0.9972000       1.234000
  1 1 1     -21   12    8 o    2.823000      0.5722000       3.803000 0.8080000       1.842000      0.8105000       1.961000       1.144000
  1 1 1     -21   12    9 o    5.506000      0.4248000       5.130000 0.6243000       5.883000      0.5761000     -0.7531000      0.8495000
  1 1 1     -21   12   10 o    3.758000      0.6206000       3.865000 0.8378000       3.651000      0.9157000      0.2137000       1.241000
  1 1 1     -21   12   11 o    1.779000      0.5758000       1.658000 0.7736000       1.899000      0.8532000     -0.2403000       1.152000
  1 1 1     -21   12   12 o    5.794000      0.4343000       5.958000 0.5962000       5.629000      0.6316000      0.3289000      0.8686000
  1 1 1     -21   12   13 o    3.702000      0.6226000       3.637000 0.8943000       3.767000      0.8665000     -0.1308000       1.245000
  1 1 1     -21   12   14 o    3.563000      0.6422000       3.667000 0.8821000       3.458000      0.9337000      0.2090000       1.284000
  1 1 1     -21   12   15 o    6.718000      0.3767000       7.281000 0.4305000       6.154000      0.6183000       1.127000      0.7534000
  1 1 1     -21   12   16 o    2.510000      0.6227000       2.983000 0.8736000       2.037000      0.8875000      0.9459000       1.245000
  1 1 1     -21   12   17 o    2.109000      0.6057000       2.344000 0.8608000       1.875000      0.8523000      0.4684000       1.211000
  1 1 1     -21   12   18 o    2.872000      0.6584000       2.685000 0.8856000       3.058000      0.9745000     -0.3723000       1.317000
  1 1 1     -21   12   19 o    2.257000      0.6142000       2.645000 0.8972000       1.869000      0.8390000      0.7758000       1.228000
  1 1 1     -21   12   20 o    2.478000      0.6451000       2.376000 0.8727000       2.580000      0.9502000     -0.2040000       1.290000
  1 1 1     -21   13    1 o    5.482000      0.4645000       5.362000 0.5750000       5.602000      0.7297000     -0.2398000      0.9290000
  1 1 1     -21   13    2 o    5.979000      0.3633000       6.484000 0.4932000       5.474000      0.5335000       1.010000      0.7266000
  1 1 1     -21   13    3 o    2.444000      0.5955000       1.948000 0.8271000       2.939000      0.8569000     -0.9912000       1.191000
  1 1 1     -21   13    4 o    9.833000      0.4750000       9.763000 0.7347000       9.902000      0.6022000     -0.1387000      0.9499000
  1 1 1     -21   13    5 o    2.642000      0.7873000       2.675000 1.196000       2.610000       1.024000      0.6498000E-01   1.575000
  1 1 1     -21   13    6 o    3.554000      0.5887000       3.490000 0.8583000       3.618000      0.8058000     -0.1275000       1.177000
  1 1 1     -21   13    7 o    2.715000      0.6370000       3.059000 0.9144000       2.372000      0.8871000      0.6869000       1.274000
  1 1 1     -21   13    8 o    3.048000      0.6060000       3.804000 0.8029000       2.291000      0.9079000       1.513000       1.212000
  1 1 1     -21   13    9 o    3.838000      0.7866000       3.408000 1.358000       4.268000      0.7951000     -0.8603000       1.573000
  1 1 1     -21   13   10 o    3.391000      0.6184000       3.499000 0.8239000       3.283000      0.9224000      0.2165000       1.237000
  1 1 1     -21   13   11 o    3.217000      0.5884000       4.237000 0.7664000       2.197000      0.8930000       2.041000       1.177000
  1 1 1     -21   13   12 o    5.346000      0.4606000       5.560000 0.6082000       5.132000      0.6919000      0.4279000      0.9212000
  1 1 1     -21   13   13 o    3.304000      0.6541000       3.698000 0.8761000       2.911000      0.9716000      0.7878000       1.308000
  1 1 1     -21   13   14 o    4.063000      0.5704000       3.762000 0.8425000       4.364000      0.7692000     -0.6026000       1.141000
  1 1 1     -21   13   15 o    6.233000      0.4126000       6.223000 0.5605000       6.242000      0.6058000     -0.1910000E-01  0.8253000
  1 1 1     -21   13   16 f    2.053000      0.5535000       2.778000 0.8904000       1.329000      0.6578000       1.449000       1.107000
  1 1 1     -21   13   17 o    2.623000      0.6406000       2.792000 0.8632000       2.455000      0.9467000      0.3373000       1.281000
  1 1 1     -21   13   18 f    5.812000      0.4380000       5.739000 0.5903000       5.886000      0.6472000     -0.1473000      0.8760000
  1 1 1     -21   13   19 o    3.105000      0.6191000       2.685000 0.8197000       3.524000      0.9281000     -0.8396000       1.238000
  1 1 1     -21   14    1 o    10.17000      0.2867000       9.941000 0.4160000       10.40000      0.3946000     -0.4554000      0.5734000
  1 1 1     -21   14    2 o    7.912000      0.5669000       7.520000 0.9515000       8.305000      0.6167000     -0.7851000       1.134000
  1 1 1     -21   14    3 o    4.186000      0.8162000       3.846000 1.346000       4.526000      0.9234000     -0.6809000       1.632000
  1 1 1     -21   14    4 o    6.681000      0.3460000       7.074000 0.4809000       6.287000      0.4976000      0.7865000      0.6920000
  1 1 1     -21   14    5 f    4.379000      0.5218000       4.553000 0.7004000       4.204000      0.7738000      0.3493000       1.044000
  1 1 1     -21   14    6 o    2.509000      0.6300000       2.378000 0.8918000       2.639000      0.8901000     -0.2614000       1.260000
  1 1 1     -21   14    7 o    3.021000      0.6428000       3.106000 0.9193000       2.936000      0.8986000      0.1700000       1.286000
  1 1 1     -21   14    8 o    3.162000      0.5959000       2.545000 0.8258000       3.778000      0.8592000      -1.234000       1.192000
  1 1 1     -21   14    9 o    6.301000      0.3957000       6.475000 0.5537000       6.126000      0.5655000      0.3488000      0.7914000
  1 1 1     -21   14   10 o    1.867000      0.5727000       2.069000 0.8475000       1.665000      0.7704000      0.4034000       1.145000
  1 1 1     -21   14   11 o    2.585000      0.5926000       3.425000 0.8781000       1.745000      0.7960000       1.680000       1.185000
  1 1 1     -21   14   12 o    2.358000      0.6371000       2.686000 0.9299000       2.029000      0.8712000      0.6570000       1.274000
  1 1 1     -21   14   13 o    2.974000      0.6794000       2.700000 0.9213000       3.248000      0.9989000     -0.5484000       1.359000
  1 1 1     -21   14   14 o    2.610000      0.6749000       2.484000 0.9241000       2.737000      0.9839000     -0.2535000       1.350000
  1 1 1     -21   14   15 o    2.104000      0.6171000       2.222000 0.8833000       1.987000      0.8620000      0.2350000       1.234000
  1 1 1     -21   14   16 o    2.139000      0.6182000       2.434000 0.9221000       1.844000      0.8238000      0.5901000       1.236000
  1 1 1     -21   14   17 f    2.208000      0.6241000       2.603000 0.9411000       1.812000      0.8200000      0.7917000       1.248000
  1 1 1     -21   15    1 o    2.854000      0.7806000       2.512000 1.120000       3.196000       1.087000     -0.6834000       1.561000
  1 1 1     -21   15    2 o    2.980000      0.6359000       2.797000 0.8923000       3.162000      0.9062000     -0.3644000       1.272000
  1 1 1     -21   15    3 f    2.778000      0.6305000       2.353000 0.9063000       3.202000      0.8768000     -0.8485000       1.261000
  1 1 1     -21   15    4 o    3.194000      0.6252000       3.510000 0.8731000       2.878000      0.8951000      0.6324000       1.250000
  1 1 1     -21   15    5 o    2.374000      0.5808000       3.250000 0.9135000       1.498000      0.7176000       1.752000       1.162000
  1 1 1     -21   15    6 o    2.733000      0.9221000       2.733000 0.9221000                  ?              ?              ?              ?
  1 1 1     -21   15    7 o    2.313000      0.6397000       2.325000 0.9202000       2.300000      0.8887000      0.2532000E-01   1.279000
  1 1 1     -21   15    8 f    4.185000      0.7898000                  ?       ?   4.185000      0.7898000                  ?              ?
  1 1 1     -21   15    9 o    2.460000      0.6384000       2.697000 0.9023000       2.223000      0.9032000      0.4738000       1.277000
  1 1 1     -21   15   10 o    3.167000      0.6667000       3.284000 0.9244000       3.051000      0.9609000      0.2329000       1.333000
  1 1 1     -21   15   11 o    4.929000      0.4947000       4.859000 0.7252000       4.999000      0.6730000     -0.1395000      0.9894000
  1 1 1     -21   15   12 o    2.767000      0.6735000       2.996000 0.9530000       2.538000      0.9520000      0.4583000       1.347000
  1 1 1     -21   15   13 o    2.538000      0.6605000       2.821000 0.9424000       2.254000      0.9257000      0.5671000       1.321000
  1 1 1     -21   15   14 o    3.778000      0.6295000       3.252000 0.9543000       4.303000      0.8212000      -1.050000       1.259000
  1 1 1     -21   15   15 o    3.491000      0.6645000       3.478000 0.9042000       3.504000      0.9740000     -0.2620000E-01   1.329000
  1 1 1     -21   16    1 o    3.216000      0.6365000       3.221000 0.8756000       3.211000      0.9241000      0.1011000E-01   1.273000
  1 1 1     -21   16    2 o    2.418000      0.6302000       1.881000 0.8219000       2.955000      0.9556000      -1.073000       1.260000
  1 1 1     -21   16    3 o    3.109000      0.6472000       3.118000 0.9499000       3.100000      0.8793000      0.1815000E-01   1.294000
  1 1 1     -21   16    4 o    5.235000      0.4315000       5.665000 0.5723000       4.805000      0.6460000      0.8602000      0.8630000
  1 1 1     -21   16    5 o    4.279000      0.5558000       3.632000 0.8629000       4.926000      0.7007000      -1.294000       1.112000
  1 1 1     -21   16    6 o    2.147000      0.5957000       1.834000 0.8084000       2.460000      0.8753000     -0.6259000       1.191000
  1 1 1     -21   16    7 o    2.749000      0.6678000       2.938000 0.9638000       2.561000      0.9246000      0.3774000       1.336000
  1 1 1     -21   16    8 o    5.046000      0.5421000       5.915000 0.7345000       4.177000      0.7974000       1.739000       1.084000
  1 1 1     -21   16    9 o    2.151000      0.6293000       2.359000 0.9204000       1.943000      0.8584000      0.4169000       1.259000
  1 1 1     -21   16   10 f    3.842000      0.6297000       3.999000 0.8662000       3.684000      0.9142000      0.3154000       1.259000
  1 1 1     -21   16   11 o    3.029000      0.6723000       3.125000 0.9459000       2.932000      0.9557000      0.1932000       1.345000
  1 1 1     -21   16   12 o    1.904000      0.5862000       1.469000 0.7076000       2.339000      0.9348000     -0.8706000       1.172000
  1 1 1     -21   16   13 o    3.553000      0.6456000       4.087000 0.8461000       3.019000      0.9753000       1.068000       1.291000
  1 1 1     -21   17    1 o    4.457000      0.5402000       3.826000 0.8368000       5.088000      0.6834000      -1.262000       1.080000
  1 1 1     -21   17    2 o    3.783000      0.5758000       4.685000 0.6462000       2.882000      0.9532000       1.803000       1.152000
  1 1 1     -21   17    3 o    3.484000      0.6234000       3.657000 0.8566000       3.311000      0.9061000      0.3461000       1.247000
  1 1 1     -21   17    4 o    2.599000      0.6577000       2.971000 0.9592000       2.226000      0.9003000      0.7452000       1.315000
  1 1 1     -21   17    5 o    2.508000      0.6539000       2.508000 0.9197000       2.508000      0.9299000      0.6359000E-03   1.308000
  1 1 1     -21   17    6 o    2.623000      0.6585000       2.975000 0.9535000       2.271000      0.9086000      0.7041000       1.317000
  1 1 1     -21   17    7 o    2.439000      0.6242000       2.998000 0.9308000       1.880000      0.8320000       1.117000       1.248000
  1 1 1     -21   17    8 o    2.031000      0.5998000       2.346000 0.8944000       1.715000      0.7993000      0.6313000       1.200000
  1 1 1     -21   17    9 o    3.627000      0.6457000       3.013000 0.9679000       4.240000      0.8549000      -1.227000       1.291000
  1 1 1     -21   17   10 o    2.728000      0.6152000       3.552000 0.8977000       1.904000      0.8416000       1.648000       1.230000
  1 1 1     -21   18    1 o    3.183000      0.6666000       2.688000 0.9629000       3.678000      0.9221000     -0.9902000       1.333000
  1 1 1     -21   18    2 o    3.345000      0.6147000       4.277000 0.8021000       2.414000      0.9318000       1.863000       1.229000
  1 1 1     -21   18    3 o    3.525000      0.6303000       4.502000 0.8089000       2.548000      0.9668000       1.953000       1.261000
  1 1 1     -21   18    4 f    3.192000      0.6518000       3.789000 0.8810000       2.595000      0.9610000       1.194000       1.304000
  1 1 1     -21   18    5 o    3.675000      0.6491000       4.414000 0.8498000       2.936000      0.9815000       1.478000       1.298000
  1 1 1     -21   18    6 o    2.385000      0.6594000       2.173000 0.9033000       2.596000      0.9608000     -0.4230000       1.319000
  1 1 1     -20  -37    1 o    3.560000       1.445000       3.560000 1.445000                  ?              ?              ?              ?
  1 1 1     -20  -37    2 o    2.459000       1.170000       2.459000 1.170000                  ?              ?              ?              ?
  1 1 1     -20  -36    1 o    3.308000      0.7130000       3.172000 0.9693000       3.443000       1.046000     -0.2704000       1.426000
  1 1 1     -20  -36    2 f    3.866000      0.7128000       3.625000 0.9851000       4.108000       1.031000     -0.4832000       1.426000
  1 1 1     -20  -36    3 o    3.279000      0.7188000       3.747000 0.9903000       2.811000       1.042000      0.9361000       1.438000
  1 1 1     -20  -36    4 o    2.843000      0.7138000       3.482000 1.063000       2.204000      0.9530000       1.278000       1.428000
  1 1 1     -20  -36    5 o    2.106000      0.6589000       2.047000 0.9039000       2.165000      0.9589000     -0.1185000       1.318000
  1 1 1     -20  -36    6 o    2.250000      0.6809000       2.227000 0.9373000       2.272000      0.9879000     -0.4469000E-01   1.362000
  1 1 1     -20  -36    7 o    2.422000      0.6941000       2.937000 1.069000       1.907000      0.8853000       1.030000       1.388000
  1 1 1     -20  -36    8 o    2.940000      0.8384000       2.916000 1.297000       2.965000       1.063000     -0.4935000E-01   1.677000
  1 1 1     -20  -35    1 o    2.886000      0.6995000       2.392000 0.9547000       3.380000       1.023000     -0.9880000       1.399000
  1 1 1     -20  -35    2 o    4.136000      0.6252000       4.666000 0.7378000       3.606000       1.010000       1.060000       1.250000
  1 1 1     -20  -35    3 o    3.782000      0.6780000       3.724000 0.9158000       3.840000       1.000000     -0.1156000       1.356000
  1 1 1     -20  -35    4 o    2.934000      0.6257000       1.728000 0.8040000       4.140000      0.9589000      -2.412000       1.251000
  1 1 1     -20  -35    5 o    2.794000      0.7370000       2.803000 1.026000       2.786000       1.058000      0.1761000E-01   1.474000
  1 1 1     -20  -35    6 o    2.929000      0.7196000       2.574000 0.9951000       3.283000       1.040000     -0.7096000       1.439000
  1 1 1     -20  -35    7 o    3.099000      0.7050000       3.413000 0.9422000       2.784000       1.049000      0.6291000       1.410000
  1 1 1     -20  -35    8 o    2.054000      0.6418000       1.989000 0.8904000       2.118000      0.9245000     -0.1286000       1.284000
  1 1 1     -20  -35    9 o    3.599000      0.7410000       3.114000 1.052000       4.083000       1.044000     -0.9685000       1.482000
  1 1 1     -20  -35   10 o    4.207000      0.6967000       4.696000 0.8951000       3.718000       1.068000      0.9787000       1.393000
  1 1 1     -20  -35   11 o    2.356000      0.7051000       2.003000 0.9270000       2.709000       1.063000     -0.7063000       1.410000
  1 1 1     -20  -34    1 o    2.523000      0.6848000       2.752000 0.9798000       2.294000      0.9571000      0.4580000       1.370000
  1 1 1     -20  -34    2 o    4.481000      0.5954000       4.292000 0.8105000       4.671000      0.8723000     -0.3793000       1.191000
  1 1 1     -20  -34    3 o    4.107000      0.6374000       4.392000 0.8347000       3.821000      0.9636000      0.5714000       1.275000
  1 1 1     -20  -34    4 o    4.573000      0.5826000       4.395000 0.7788000       4.750000      0.8668000     -0.3550000       1.165000
  1 1 1     -20  -34    5 o    2.947000      0.6973000       3.114000 0.9524000       2.781000       1.019000      0.3323000       1.395000
  1 1 1     -20  -34    6 o    3.615000      0.6796000       4.331000 0.8832000       2.899000       1.033000       1.432000       1.359000
  1 1 1     -20  -34    7 o    5.521000      0.5408000       5.725000 0.6910000       5.318000      0.8322000      0.4066000       1.082000
  1 1 1     -20  -34    8 o    3.076000      0.7191000       2.835000 0.9701000       3.316000       1.062000     -0.4812000       1.438000
  1 1 1     -20  -34    9 o    1.869000      0.6062000       2.082000 0.9183000       1.656000      0.7917000      0.4257000       1.212000
  1 1 1     -20  -34   10 o    2.418000      0.6781000       2.922000 1.031000       1.914000      0.8810000       1.007000       1.356000
  1 1 1     -20  -34   11 o    2.473000      0.6908000       2.136000 0.9051000       2.811000       1.044000     -0.6751000       1.382000
  1 1 1     -20  -34   12 o    2.560000      0.7046000       2.018000 0.9161000       3.102000       1.071000      -1.084000       1.409000
  1 1 1     -20  -34   13 o    2.017000      0.6410000       2.201000 0.9473000       1.832000      0.8637000      0.3685000       1.282000
  1 1 1     -20  -34   14 o    3.524000      0.8531000       3.105000 1.301000       3.942000       1.103000     -0.8369000       1.706000
  1 1 1     -20  -33    1 o    2.505000      0.6409000       2.188000 0.8915000       2.821000      0.9210000     -0.6331000       1.282000
  1 1 1     -20  -33    2 o    2.874000      0.6555000       2.555000 0.9351000       3.194000      0.9189000     -0.6391000       1.311000
  1 1 1     -20  -33    3 o    3.319000      0.6428000       3.018000 0.9386000       3.619000      0.8785000     -0.6008000       1.286000
  1 1 1     -20  -33    4 o    2.704000      0.5807000       3.712000 0.8489000       1.696000      0.7927000       2.016000       1.161000
  1 1 1     -20  -33    5 o    1.760000      0.5663000       1.880000 0.8250000       1.639000      0.7761000      0.2405000       1.133000
  1 1 1     -20  -33    6 o    2.596000      0.6389000       3.213000 0.9331000       1.980000      0.8731000       1.234000       1.278000
  1 1 1     -20  -33    7 o    2.951000      0.6739000       3.120000 0.9233000       2.782000      0.9820000      0.3385000       1.348000
  1 1 1     -20  -33    8 o    3.845000      0.6706000       3.723000 0.9708000       3.968000      0.9255000     -0.2453000       1.341000
  1 1 1     -20  -33    9 o    3.313000      0.6711000       2.413000 0.9805000       4.212000      0.9164000      -1.799000       1.342000
  1 1 1     -20  -33   10 o    4.820000      0.5659000       4.692000 0.7936000       4.948000      0.8069000     -0.2553000       1.132000
  1 1 1     -20  -33   11 o    2.632000      0.7094000       3.075000 1.052000       2.189000      0.9519000      0.8863000       1.419000
  1 1 1     -20  -33   12 o    2.231000      0.6679000       1.772000 0.8204000       2.690000       1.054000     -0.9173000       1.336000
  1 1 1     -20  -33   13 o    2.939000      0.7471000       3.226000 1.058000       2.651000       1.055000      0.5746000       1.494000
  1 1 1     -20  -33   14 o    3.686000      0.7375000       3.307000 1.007000       4.065000       1.077000     -0.7577000       1.475000
  1 1 1     -20  -33   15 o    2.864000      0.7211000       2.234000 0.9458000       3.493000       1.089000      -1.259000       1.442000
  1 1 1     -20  -33   16 o    2.778000      0.7329000       2.816000 1.016000       2.739000       1.056000      0.7762000E-01   1.466000
  1 1 1     -20  -32    1 o    3.682000      0.5629000       3.826000 0.7082000       3.538000      0.8753000      0.2886000       1.126000
  1 1 1     -20  -32    2 o    5.375000      0.4152000       5.217000 0.5893000       5.534000      0.5850000     -0.3173000      0.8303000
  1 1 1     -20  -32    3 o    2.835000      0.6225000       2.828000 0.8491000       2.842000      0.9104000     -0.1427000E-01   1.245000
  1 1 1     -20  -32    4 o    2.448000      0.6231000       2.140000 0.8221000       2.756000      0.9366000     -0.6163000       1.246000
  1 1 1     -20  -32    5 o    2.748000      0.6309000       2.644000 0.8615000       2.853000      0.9221000     -0.2086000       1.262000
  1 1 1     -20  -32    6 o    3.526000      0.6016000       3.613000 0.7878000       3.440000      0.9095000      0.1733000       1.203000
  1 1 1     -20  -32    7 o    3.887000      0.6128000       3.627000 0.9064000       4.147000      0.8249000     -0.5206000       1.226000
  1 1 1     -20  -32    8 o    7.256000      0.3792000       7.376000 0.5102000       7.136000      0.5612000      0.2398000      0.7585000
  1 1 1     -20  -32    9 o    4.296000      0.5715000       4.100000 0.7828000       4.493000      0.8329000     -0.3924000       1.143000
  1 1 1     -20  -32   10 o    3.451000      0.6667000       3.878000 0.9007000       3.023000      0.9832000      0.8548000       1.333000
  1 1 1     -20  -32   11 o    7.753000      0.3852000       7.698000 0.4992000       7.807000      0.5868000     -0.1089000      0.7704000
  1 1 1     -20  -32   12 o    2.922000      0.6849000       2.094000 0.9158000       3.750000       1.019000      -1.655000       1.370000
  1 1 1     -20  -32   13 o    2.158000      0.6655000       2.019000 0.8893000       2.297000      0.9904000     -0.2785000       1.331000
  1 1 1     -20  -32   14 o    3.007000      0.7176000       2.507000 0.9692000       3.508000       1.059000      -1.001000       1.435000
  1 1 1     -20  -32   15 o    2.219000      0.6624000       2.199000 0.9058000       2.238000      0.9667000     -0.3896000E-01   1.325000
  1 1 1     -20  -32   16 o    2.777000      0.7315000       2.676000 1.014000       2.878000       1.054000     -0.2021000       1.463000
  1 1 1     -20  -32   17 o    2.407000      0.6895000       2.696000 1.005000       2.117000      0.9447000      0.5793000       1.379000
  1 1 1     -20  -32   18 o    2.609000      0.7666000       2.160000 1.034000       3.059000       1.132000     -0.8994000       1.533000
  1 1 1     -20  -31    1 o    4.762000      0.4160000       5.100000 0.5259000       4.425000      0.6448000      0.6742000      0.8321000
  1 1 1     -20  -31    2 o    5.402000      0.3769000       5.259000 0.5347000       5.546000      0.5312000     -0.2873000      0.7537000
  1 1 1     -20  -31    3 o    3.056000      0.5904000       3.258000 0.7979000       2.855000      0.8705000      0.4026000       1.181000
  1 1 1     -20  -31    4 o    2.233000      0.5962000       2.502000 0.8570000       1.963000      0.8290000      0.5384000       1.192000
  1 1 1     -20  -31    5 f    7.278000      0.3357000       7.992000 0.4408000       6.564000      0.5063000       1.428000      0.6713000
  1 1 1     -20  -31    6 o    4.355000      0.5351000       4.437000 0.7307000       4.273000      0.7820000      0.1644000       1.070000
  1 1 1     -20  -31    7 o    3.026000      0.6501000       3.404000 0.8891000       2.647000      0.9486000      0.7571000       1.300000
  1 1 1     -20  -31    8 o    4.670000      0.4964000       4.600000 0.6519000       4.739000      0.7486000     -0.1386000      0.9927000
  1 1 1     -20  -31    9 o    3.879000      0.5966000       4.221000 0.7784000       3.536000      0.9044000      0.6847000       1.193000
  1 1 1     -20  -31   10 o    3.287000      0.6824000       3.051000 0.9505000       3.523000      0.9794000     -0.4724000       1.365000
  1 1 1     -20  -31   11 f    5.150000      0.5346000       5.988000 0.5404000       4.312000      0.9226000       1.676000       1.069000
  1 1 1     -20  -31   12 o    2.309000      0.6553000       2.459000 0.9263000       2.159000      0.9271000      0.2993000       1.311000
  1 1 1     -20  -31   13 f    3.195000      0.7140000       3.362000 0.9670000       3.028000       1.051000      0.3335000       1.428000
  1 1 1     -20  -31   14 o    2.406000      0.6697000       2.923000 1.016000       1.889000      0.8735000       1.034000       1.339000
  1 1 1     -20  -31   15 o    2.781000      0.7221000       2.406000 0.9451000       3.156000       1.092000     -0.7500000       1.444000
  1 1 1     -20  -31   16 o    3.718000      0.6887000       4.143000 0.8889000       3.293000       1.052000      0.8501000       1.377000
  1 1 1     -20  -31   17 o    3.262000      0.7270000       3.123000 1.029000       3.400000       1.027000     -0.2773000       1.454000
  1 1 1     -20  -31   18 f    2.337000      0.6829000       2.230000 0.9331000       2.444000      0.9975000     -0.2142000       1.366000
  1 1 1     -20  -31   19 o    3.076000      0.7055000       3.686000 0.9592000       2.466000       1.035000       1.220000       1.411000
  1 1 1     -20  -30    1 o    3.166000      0.6729000       2.495000 0.8382000       3.837000       1.053000      -1.343000       1.346000
  1 1 1     -20  -30    2 o    5.489000      0.5604000       6.631000 0.4644000       4.348000       1.020000       2.283000       1.121000
  1 1 1     -20  -30    3 o    1.535000      0.4995000       1.647000 0.7279000       1.423000      0.6841000      0.2233000      0.9989000
  1 1 1     -20  -30    4 o    6.792000      0.3411000       6.692000 0.4753000       6.892000      0.4895000     -0.2000000      0.6823000
  1 1 1     -20  -30    5 o    4.826000      0.4738000       4.522000 0.6907000       5.131000      0.6488000     -0.6092000      0.9477000
  1 1 1     -20  -30    6 o    1.868000      0.5717000       1.501000 0.7124000       2.235000      0.8944000     -0.7341000       1.143000
  1 1 1     -20  -30    7 o    5.265000      0.4252000       5.166000 0.5856000       5.365000      0.6167000     -0.1994000      0.8505000
  1 1 1     -20  -30    8 o    4.433000      0.5009000       3.895000 0.7414000       4.971000      0.6736000      -1.076000       1.002000
  1 1 1     -20  -30    9 o    3.001000      0.6472000       3.344000 0.8837000       2.659000      0.9458000      0.6849000       1.294000
  1 1 1     -20  -30   10 f    3.447000      0.6183000       4.074000 0.7773000       2.819000      0.9618000       1.254000       1.237000
  1 1 1     -20  -30   11 o    2.653000      0.6691000       2.435000 0.9056000       2.870000      0.9851000     -0.4354000       1.338000
  1 1 1     -20  -30   12 o    3.814000      0.6239000       4.522000 0.7784000       3.106000      0.9754000       1.416000       1.248000
  1 1 1     -20  -30   13 o    5.975000      0.4778000       6.931000 0.5234000       5.019000      0.7994000       1.912000      0.9555000
  1 1 1     -20  -30   14 o    6.239000      0.4488000       6.359000 0.5972000       6.118000      0.6701000      0.2409000      0.8976000
  1 1 1     -20  -30   15 o    4.873000      0.5936000       5.252000 0.6733000       4.494000      0.9777000      0.7571000       1.187000
  1 1 1     -20  -30   16 o    4.671000      0.6305000       3.874000 0.9820000       5.468000      0.7911000      -1.595000       1.261000
  1 1 1     -20  -30   17 o    2.621000      0.6993000       2.792000 0.9979000       2.451000      0.9801000      0.3413000       1.399000
  1 1 1     -20  -30   18 o    2.498000      0.6756000       2.048000 0.8935000       2.948000       1.014000     -0.8999000       1.351000
  1 1 1     -20  -30   19 o    2.305000      0.6787000       2.327000 0.9430000       2.283000      0.9764000      0.4418000E-01   1.357000
  1 1 1     -20  -30   20 o    2.235000      0.6848000       2.168000 0.9446000       2.303000      0.9918000     -0.1350000       1.370000
  1 1 1     -20  -30   21 f    2.987000      0.8579000       2.166000 1.031000       3.809000       1.371000      -1.643000       1.716000
  1 1 1     -20  -29    1 o    5.529000      0.3343000       4.925000 0.4629000       6.133000      0.4823000      -1.208000      0.6685000
  1 1 1     -20  -29    2 o    2.090000      0.5249000       2.695000 0.7842000       1.484000      0.6978000       1.212000       1.050000
  1 1 1     -20  -29    3 o    2.364000      0.6599000       2.298000 0.8355000       2.430000       1.022000     -0.1322000       1.320000
  1 1 1     -20  -29    4 o    7.767000      0.4089000       7.659000 0.4923000       7.874000      0.6530000     -0.2141000      0.8178000
  1 1 1     -20  -29    5 o    2.672000      0.6596000       3.223000 0.8990000       2.122000      0.9654000       1.101000       1.319000
  1 1 1     -20  -29    6 f    3.109000      0.6333000       3.758000 0.8644000       2.460000      0.9258000       1.298000       1.267000
  1 1 1     -20  -29    7 o    8.935000      0.3047000       8.964000 0.4174000       8.906000      0.4439000      0.5746000E-01  0.6093000
  1 1 1     -20  -29    8 o    4.657000      0.4871000       4.250000 0.6765000       5.064000      0.7010000     -0.8140000      0.9742000
  1 1 1     -20  -29    9 o    3.118000      0.6381000       3.313000 0.8422000       2.923000      0.9587000      0.3905000       1.276000
  1 1 1     -20  -29   10 o    4.513000      0.5419000       4.736000 0.6985000       4.289000      0.8286000      0.4473000       1.084000
  1 1 1     -20  -29   11 o    2.427000      0.6397000       2.586000 0.8942000       2.267000      0.9150000      0.3190000       1.279000
  1 1 1     -20  -29   12 f    6.339000      0.4020000       6.471000 0.5412000       6.207000      0.5946000      0.2637000      0.8040000
  1 1 1     -20  -29   13 o    6.626000      0.5858000       7.145000 0.9766000       6.107000      0.6475000       1.038000       1.172000
  1 1 1     -20  -29   14 o    5.354000      0.5711000       5.414000 0.6318000       5.293000      0.9517000      0.1203000       1.142000
  1 1 1     -20  -29   15 o    3.353000      0.6843000       3.242000 0.9014000       3.463000       1.030000     -0.2208000       1.369000
  1 1 1     -20  -29   16 o    4.658000      0.6223000       5.587000 0.6620000       3.730000       1.054000       1.857000       1.245000
  1 1 1     -20  -29   17 o    4.020000      0.6614000       4.811000 0.7936000       3.229000       1.058000       1.582000       1.323000
  1 1 1     -20  -29   18 o    3.020000      0.6536000       1.860000 0.8547000       4.179000      0.9890000      -2.318000       1.307000
  1 1 1     -20  -29   19 o    3.894000      0.7168000       4.309000 0.9399000       3.479000       1.082000      0.8304000       1.434000
  1 1 1     -20  -29   20 o    3.658000      0.6915000       4.120000 0.9036000       3.195000       1.047000      0.9257000       1.383000
  1 1 1     -20  -29   21 o    2.460000      0.7064000       2.559000 1.001000       2.360000      0.9966000      0.1990000       1.413000
  1 1 1     -20  -29   22 o    2.044000      0.6479000       2.188000 0.9530000       1.899000      0.8779000      0.2884000       1.296000
  1 1 1     -20  -28    1 o    5.809000      0.5869000       5.720000 0.9728000       5.898000      0.6569000     -0.1785000       1.174000
  1 1 1     -20  -28    2 o    2.196000      0.6856000       2.304000 1.038000       2.088000      0.8966000      0.2162000       1.371000
  1 1 1     -20  -28    3 o    2.863000      0.5864000       3.158000 0.8018000       2.568000      0.8559000      0.5905000       1.173000
  1 1 1     -20  -28    4 o    6.468000      0.3293000       6.288000 0.4643000       6.648000      0.4670000     -0.3600000      0.6585000
  1 1 1     -20  -28    5 o    2.876000      0.5608000       3.715000 0.7328000       2.038000      0.8490000       1.677000       1.122000
  1 1 1     -20  -28    6 o    2.728000      0.7070000       2.028000 0.8192000       3.427000       1.153000      -1.399000       1.414000
  1 1 1     -20  -28    8 o    2.061000      0.6564000       1.852000 0.8142000       2.270000       1.030000     -0.4179000       1.313000
  1 1 1     -20  -28    9 o    5.369000      0.4213000       5.203000 0.5392000       5.535000      0.6475000     -0.3314000      0.8426000
  1 1 1     -20  -28   10 o    4.541000      0.5293000       4.555000 0.6854000       4.527000      0.8068000      0.2758000E-01   1.059000
  1 1 1     -20  -28   11 o    2.099000      0.6218000       2.181000 0.8731000       2.017000      0.8855000      0.1636000       1.244000
  1 1 1     -20  -28   12 o    2.524000      0.6604000       2.233000 0.8767000       2.815000      0.9878000     -0.5822000       1.321000
  1 1 1     -20  -28   13 o    5.857000      0.4567000       6.359000 0.5463000       5.356000      0.7321000       1.004000      0.9134000
  1 1 1     -20  -28   14 o    3.058000      0.6861000       3.027000 0.9253000       3.089000       1.013000     -0.6179000E-01   1.372000
  1 1 1     -20  -28   15 o    2.529000      0.6672000       2.928000 0.9552000       2.131000      0.9317000      0.7979000       1.334000
  1 1 1     -20  -28   16 o    4.293000      0.6129000       4.644000 0.7329000       3.941000      0.9826000      0.7030000       1.226000
  1 1 1     -20  -28   17 o    4.970000      0.5513000       5.787000 0.6148000       4.153000      0.9152000       1.635000       1.103000
  1 1 1     -20  -28   18 o    2.145000      0.6353000       2.583000 0.9789000       1.708000      0.8101000      0.8751000       1.271000
  1 1 1     -20  -28   19 o    3.188000      0.7220000       3.723000 1.000000       2.653000       1.041000       1.070000       1.444000
  1 1 1     -20  -28   20 o    5.435000      0.5641000       5.319000 0.7818000       5.550000      0.8134000     -0.2313000       1.128000
  1 1 1     -20  -28   21 f    2.747000      0.7208000       2.628000 1.000000       2.866000       1.038000     -0.2378000       1.442000
  1 1 1     -20  -28   22 o    3.022000      0.7015000       2.601000 0.9735000       3.442000       1.010000     -0.8412000       1.403000
  1 1 1     -20  -28   23 o    1.942000      0.6133000       1.508000 0.7297000       2.376000      0.9859000     -0.8674000       1.227000
  1 1 1     -20  -27    1 o    4.425000      0.3933000       4.783000 0.4694000       4.067000      0.6312000      0.7165000      0.7866000
  1 1 1     -20  -27    2 o    3.065000      0.5364000       2.826000 0.7518000       3.305000      0.7653000     -0.4795000       1.073000
  1 1 1     -20  -27    3 o    2.378000      0.6284000       2.005000 0.9628000       2.751000      0.8079000     -0.7462000       1.257000
  1 1 1     -20  -27    4 o    2.245000      0.7086000       2.616000 1.145000       1.874000      0.8358000      0.7422000       1.417000
  1 1 1     -20  -27    5 o    3.080000      0.6785000       2.003000 0.9592000       4.156000      0.9599000      -2.153000       1.357000
  1 1 1     -20  -27    6 o    5.399000      0.3963000       5.502000 0.5190000       5.296000      0.5992000      0.2062000      0.7927000
  1 1 1     -20  -27    7 o    2.172000      0.6038000       1.831000 0.7944000       2.513000      0.9094000     -0.6820000       1.208000
  1 1 1     -20  -27    8 o    2.832000      0.6366000       2.915000 0.8754000       2.750000      0.9246000      0.1650000       1.273000
  1 1 1     -20  -27    9 o    3.524000      0.7319000       3.867000 0.8621000       3.181000       1.183000      0.6866000       1.464000
  1 1 1     -20  -27   10 o    2.599000      0.7293000       2.393000 0.8868000       2.804000       1.158000     -0.4108000       1.459000
  1 1 1     -20  -27   11 o    1.839000      0.5698000       1.865000 0.7888000       1.812000      0.8223000      0.5377000E-01   1.140000
  1 1 1     -20  -27   12 o    5.372000      0.4701000       5.306000 0.6235000       5.437000      0.7038000     -0.1310000      0.9403000
  1 1 1     -20  -27   13 o    4.625000      0.5268000       4.917000 0.6359000       4.334000      0.8400000      0.5830000       1.054000
  1 1 1     -20  -27   14 o    2.067000      0.6193000       1.878000 0.8229000       2.256000      0.9258000     -0.3781000       1.239000
  1 1 1     -20  -27   15 o    2.007000      0.5938000       2.298000 0.8797000       1.716000      0.7978000      0.5820000       1.188000
  1 1 1     -20  -27   16 o    2.642000      0.6833000       2.444000 0.9156000       2.840000       1.015000     -0.3962000       1.367000
  1 1 1     -20  -27   17 o    2.575000      0.6860000       3.013000 0.9968000       2.138000      0.9427000      0.8756000       1.372000
  1 1 1     -20  -27   18 o    3.088000      0.6882000       2.073000 0.9122000       4.104000       1.031000      -2.032000       1.376000
  1 1 1     -20  -27   19 o    4.169000      0.6531000       5.131000 0.7599000       3.206000       1.062000       1.925000       1.306000
  1 1 1     -20  -27   20 o    2.759000      0.6954000       2.397000 0.9496000       3.120000       1.016000     -0.7236000       1.391000
  1 1 1     -20  -27   21 o    4.405000      0.6046000       4.038000 0.8556000       4.772000      0.8545000     -0.7341000       1.209000
  1 1 1     -20  -27   22 o    2.641000      0.7067000       2.554000 0.9628000       2.729000       1.035000     -0.1745000       1.413000
  1 1 1     -20  -27   23 o    2.095000      0.6493000       1.705000 0.7988000       2.485000       1.024000     -0.7800000       1.299000
  1 1 1     -20  -27   24 o    2.710000      0.6621000       3.425000 0.9761000       1.995000      0.8947000       1.431000       1.324000
  1 1 1     -20  -26    1 o    2.604000      0.5467000       2.213000 0.7401000       2.995000      0.8049000     -0.7820000       1.093000
  1 1 1     -20  -26    2 o    3.738000      0.4945000       4.470000 0.5501000       3.006000      0.8220000       1.464000      0.9891000
  1 1 1     -20  -26    3 o    6.243000      0.3127000       5.930000 0.4403000       6.556000      0.4442000     -0.6263000      0.6255000
  1 1 1     -20  -26    4 o    3.273000      0.5277000       3.244000 0.6863000       3.302000      0.8017000     -0.5738000E-01   1.055000
  1 1 1     -20  -26    5 o    2.118000      0.5476000       1.491000 0.6693000       2.744000      0.8668000      -1.253000       1.095000
  1 1 1     -20  -26    6 o    1.913000      0.6284000       2.130000 0.9714000       1.696000      0.7976000      0.4339000       1.257000
  1 1 1     -20  -26    7 o    4.190000      0.7457000       5.391000 1.096000       2.990000       1.012000       2.401000       1.491000
  1 1 1     -20  -26    8 o    2.587000      0.7470000       2.634000 1.139000       2.540000      0.9670000      0.9409000E-01   1.494000
  1 1 1     -20  -26    9 o    2.676000      0.6114000       2.604000 0.8467000       2.749000      0.8822000     -0.1452000       1.223000
  1 1 1     -20  -26   10 o    1.526000      0.5004000       1.700000 0.7514000       1.351000      0.6611000      0.3493000       1.001000
  1 1 1     -20  -26   11 o    3.419000      0.7227000       3.839000 0.8265000       2.999000       1.186000      0.8400000       1.445000
  1 1 1     -20  -26   12 o    4.632000      0.6516000       4.332000 0.7744000       4.931000       1.048000     -0.5991000       1.303000
  1 1 1     -20  -26   13 o    2.439000      0.6085000       3.095000 0.9010000       1.783000      0.8180000       1.313000       1.217000
  1 1 1     -20  -26   14 o    5.620000      0.4200000       5.623000 0.5664000       5.617000      0.6203000      0.5706000E-02  0.8400000
  1 1 1     -20  -26   15 o    5.856000      0.4408000       5.978000 0.5421000       5.733000      0.6951000      0.2456000      0.8815000
  1 1 1     -20  -26   16 o    3.215000      0.7076000       3.230000 0.9664000       3.201000       1.034000      0.2855000E-01   1.415000
  1 1 1     -20  -26   17 o    8.905000      0.3497000       8.873000 0.4677000       8.937000      0.5200000     -0.6453000E-01  0.6994000
  1 1 1     -20  -26   18 o    4.754000      0.5913000       5.423000 0.6599000       4.086000      0.9813000       1.337000       1.183000
  1 1 1     -20  -26   19 f    3.638000      0.6896000       2.839000 1.004000       4.438000      0.9454000      -1.599000       1.379000
  1 1 1     -20  -26   20 f    2.493000      0.6932000       2.722000 0.9922000       2.264000      0.9684000      0.4580000       1.386000
  1 1 1     -20  -26   21 o    5.046000      0.5872000       5.306000 0.7375000       4.787000      0.9140000      0.5196000       1.174000
  1 1 1     -20  -26   22 o    2.138000      0.6665000       2.091000 0.9145000       2.186000      0.9700000     -0.9569000E-01   1.333000
  1 1 1     -20  -26   23 o    2.706000      0.7336000       2.419000 0.9811000       2.993000       1.091000     -0.5737000       1.467000
  1 1 1     -20  -26   24 o    5.041000      0.5910000       4.681000 0.8378000       5.402000      0.8337000     -0.7208000       1.182000
  1 1 1     -20  -26   25 o    2.836000      0.6584000       3.810000 0.9988000       1.861000      0.8580000       1.949000       1.317000
  1 1 1     -20  -25    1 o    4.487000      0.4014000       4.825000 0.5132000       4.148000      0.6175000      0.6771000      0.8029000
  1 1 1     -20  -25    2 o    6.616000      0.2877000       6.754000 0.3808000       6.478000      0.4312000      0.2759000      0.5753000
  1 1 1     -20  -25    3 o    4.949000      0.3784000       5.245000 0.4649000       4.653000      0.5973000      0.5920000      0.7569000
  1 1 1     -20  -25    4 o    3.471000      0.5136000       3.018000 0.7663000       3.924000      0.6840000     -0.9067000       1.027000
  1 1 1     -20  -25    5 o    4.199000      0.4685000       4.497000 0.5800000       3.901000      0.7360000      0.5957000      0.9370000
  1 1 1     -20  -25    6 o    6.433000      0.3190000       6.123000 0.4564000       6.742000      0.4459000     -0.6190000      0.6381000
  1 1 1     -20  -25    7 f    6.298000      0.3347000       6.117000 0.4720000       6.479000      0.4747000     -0.3615000      0.6694000
  1 1 1     -20  -25    8 o    2.513000      0.6392000       2.117000 0.9582000       2.909000      0.8463000     -0.7916000       1.278000
  1 1 1     -20  -25    9 o    4.382000      0.6750000       3.108000 1.147000       5.655000      0.7125000      -2.547000       1.350000
  1 1 1     -20  -25   10 o    3.749000      0.7447000       3.296000 1.179000       4.202000      0.9102000     -0.9055000       1.489000
  1 1 1     -20  -25   11 o    2.716000      0.6102000       2.265000 0.8455000       3.168000      0.8801000     -0.9029000       1.220000
  1 1 1     -20  -25   12 o    6.307000      0.3966000       6.839000 0.4857000       5.775000      0.6269000       1.064000      0.7931000
  1 1 1     -20  -25   13 o    7.223000      0.4904000       7.479000 0.5537000       6.967000      0.8096000      0.5122000      0.9808000
  1 1 1     -20  -25   14 o    2.742000      0.7632000       2.786000 0.9947000       2.697000       1.158000      0.8952000E-01   1.526000
  1 1 1     -20  -25   15 o    5.572000      0.4631000       5.704000 0.6280000       5.440000      0.6807000      0.2635000      0.9261000
  1 1 1     -20  -25   16 o    5.622000      0.4604000       5.662000 0.5897000       5.582000      0.7072000      0.8008000E-01  0.9208000
  1 1 1     -20  -25   17 o    1.992000      0.6275000       1.880000 0.8451000       2.104000      0.9277000     -0.2235000       1.255000
  1 1 1     -20  -25   18 o    4.766000      0.5896000       4.552000 0.8021000       4.980000      0.8643000     -0.4282000       1.179000
  1 1 1     -20  -25   19 o    3.529000      0.6815000       3.832000 0.8921000       3.227000       1.030000      0.6049000       1.363000
  1 1 1     -20  -25   20 o    2.352000      0.6319000       2.954000 0.9547000       1.749000      0.8280000       1.205000       1.264000
  1 1 1     -20  -25   21 o    2.829000      0.6898000       3.430000 0.9853000       2.227000      0.9657000       1.203000       1.380000
  1 1 1     -20  -25   22 o    2.025000      0.6320000       2.163000 0.9190000       1.886000      0.8677000      0.2768000       1.264000
  1 1 1     -20  -25   23 o    4.203000      0.6056000       3.062000 0.9765000       5.343000      0.7166000      -2.281000       1.211000
  1 1 1     -20  -25   24 o    3.532000      0.7147000       3.961000 0.9530000       3.103000       1.065000      0.8579000       1.429000
  1 1 1     -20  -25   25 o    4.309000      0.9308000       4.309000 0.9308000                  ?              ?              ?              ?
  1 1 1     -20  -25   26 o    2.541000      0.6941000       2.740000 0.9854000       2.342000      0.9777000      0.3976000       1.388000
  1 1 1     -20  -24    1 o    14.87000      0.2635000       15.19000 0.3757000       14.55000      0.3694000      0.6425000      0.5269000
  1 1 1     -20  -24    2 o    1.961000      0.5387000       2.210000 0.7772000       1.711000      0.7461000      0.4986000       1.077000
  1 1 1     -20  -24    3 o    9.725000      0.2537000       9.463000 0.3450000       9.987000      0.3720000     -0.5234000      0.5073000
  1 1 1     -20  -24    4 o    4.549000      0.4309000       5.290000 0.4317000       3.808000      0.7460000       1.481000      0.8619000
  1 1 1     -20  -24    5 o    9.154000      0.2637000       9.180000 0.3657000       9.128000      0.3799000      0.5231000E-01  0.5273000
  1 1 1     -20  -24    6 o    2.608000      0.5563000       1.932000 0.7700000       3.284000      0.8031000      -1.352000       1.113000
  1 1 1     -20  -24    7 o    4.983000      0.3929000       4.560000 0.5656000       5.406000      0.5456000     -0.8463000      0.7859000
  1 1 1     -20  -24    8 o    7.283000      0.3145000       7.551000 0.4281000       7.016000      0.4609000      0.5355000      0.6290000
  1 1 1     -20  -24    9 o    5.020000      0.4436000       5.837000 0.4900000       4.204000      0.7395000       1.633000      0.8871000
  1 1 1     -20  -24   10 o    3.711000      0.6459000       2.801000 1.156000       4.622000      0.5756000      -1.822000       1.292000
  1 1 1     -20  -24   11 o    5.335000      0.6752000       4.861000 1.146000       5.808000      0.7142000     -0.9463000       1.350000
  1 1 1     -20  -24   12 o    4.176000      0.5092000       4.122000 0.7201000       4.229000      0.7200000     -0.1065000       1.018000
  1 1 1     -20  -24   13 o    2.431000      0.6452000       2.114000 0.8599000       2.749000      0.9621000     -0.6348000       1.290000
  1 1 1     -20  -24   14 o    6.048000      0.3968000       5.648000 0.5519000       6.448000      0.5702000     -0.8002000      0.7936000
  1 1 1     -20  -24   15 o    3.710000      0.7684000       4.335000 0.9155000       3.085000       1.234000       1.250000       1.537000
  1 1 1     -20  -24   16 o    3.477000      0.6849000       3.192000 1.054000       3.762000      0.8748000     -0.5704000       1.370000
  1 1 1     -20  -24   17 o    4.123000      0.6218000       4.629000 0.7516000       3.617000      0.9908000       1.012000       1.244000
  1 1 1     -20  -24   18 o    5.221000      0.5264000       4.919000 0.7260000       5.523000      0.7623000     -0.6042000       1.053000
  1 1 1     -20  -24   19 o    4.021000      0.6490000       4.078000 0.8658000       3.965000      0.9672000      0.1129000       1.298000
  1 1 1     -20  -24   20 o    5.939000      0.4910000       5.999000 0.6415000       5.879000      0.7435000      0.1199000      0.9820000
  1 1 1     -20  -24   21 o    4.164000      0.6877000       4.569000 0.8501000       3.760000       1.081000      0.8097000       1.375000
  1 1 1     -20  -24   22 o    2.717000      0.7035000       1.842000 0.8512000       3.591000       1.120000      -1.749000       1.407000
  1 1 1     -20  -24   23 o    3.120000      0.7078000       2.508000 0.9670000       3.733000       1.034000      -1.226000       1.416000
  1 1 1     -20  -24   24 o    2.422000      0.7003000       2.626000 1.007000       2.219000      0.9739000      0.4077000       1.401000
  1 1 1     -20  -24   25 o    4.804000      0.6428000       5.028000 0.7811000       4.580000       1.021000      0.4480000       1.286000
  1 1 1     -20  -24   26 o    2.203000      0.6553000       1.899000 0.8621000       2.506000      0.9871000     -0.6070000       1.311000
  1 1 1     -20  -23    1 o    10.79000      0.2411000       10.82000 0.3304000       10.77000      0.3512000      0.4626000E-01  0.4822000
  1 1 1     -20  -23    2 o    4.613000      0.3813000       4.274000 0.5293000       4.951000      0.5489000     -0.6763000      0.7625000
  1 1 1     -20  -23    3 o    9.044000      0.2512000       9.316000 0.3383000       8.771000      0.3714000      0.5455000      0.5024000
  1 1 1     -20  -23    4 o    4.344000      0.4092000       4.556000 0.5061000       4.131000      0.6430000      0.4244000      0.8183000
  1 1 1     -20  -23    5 o    2.860000      0.5649000       2.793000 0.7399000       2.927000      0.8537000     -0.1345000       1.130000
  1 1 1     -20  -23    6 o    4.018000      0.4778000       3.489000 0.7078000       4.546000      0.6419000      -1.057000      0.9556000
  1 1 1     -20  -23    7 o    5.790000      0.3635000       6.021000 0.4791000       5.559000      0.5468000      0.4628000      0.7271000
  1 1 1     -20  -23    8 o    7.438000      0.3139000       7.410000 0.4385000       7.465000      0.4494000     -0.5511000E-01  0.6279000
  1 1 1     -20  -23    9 o    6.395000      0.3409000       6.166000 0.4708000       6.624000      0.4932000     -0.4576000      0.6818000
  1 1 1     -20  -23   10 f    2.143000      0.5935000       1.804000 0.7822000       2.482000      0.8929000     -0.6779000       1.187000
  1 1 1     -20  -23   11 o    4.488000      0.5288000       5.468000 0.5553000       3.507000      0.9000000       1.961000       1.058000
  1 1 1     -20  -23   12 o    4.546000      0.7706000       5.291000 1.108000       3.801000       1.071000       1.490000       1.541000
  1 1 1     -20  -23   13 o    9.264000      0.4741000       9.935000 0.6908000       8.593000      0.6495000       1.342000      0.9482000
  1 1 1     -20  -23   14 o    8.010000      0.3384000       8.382000 0.4472000       7.638000      0.5080000      0.7444000      0.6768000
  1 1 1     -20  -23   15 o    4.670000      0.5462000       5.485000 0.5989000       3.855000      0.9137000       1.630000       1.092000
  1 1 1     -20  -23   16 o    10.95000      0.4341000       11.26000 0.5444000       10.64000      0.6763000      0.6147000      0.8682000
  1 1 1     -20  -23   17 o    3.201000      0.7898000       3.255000 1.064000       3.148000       1.167000      0.1069000       1.580000
  1 1 1     -20  -23   18 o    3.104000      0.6854000       2.705000 0.9460000       3.502000      0.9921000     -0.7966000       1.371000
  1 1 1     -20  -23   19 o    5.046000      0.5353000       5.565000 0.6311000       4.528000      0.8648000       1.037000       1.071000
  1 1 1     -20  -23   20 o    5.979000      0.4662000       6.149000 0.5939000       5.810000      0.7187000      0.3387000      0.9324000
  1 1 1     -20  -23   21 o    2.519000      0.6929000       2.780000 0.9851000       2.259000      0.9748000      0.5213000       1.386000
  1 1 1     -20  -23   22 o    3.875000      0.8135000       5.257000 1.278000       2.492000       1.007000       2.765000       1.627000
  1 1 1     -20  -23   23 o    4.180000      0.6369000       4.309000 0.8540000       4.051000      0.9452000      0.2577000       1.274000
  1 1 1     -20  -23   24 o    4.159000      0.6588000       4.199000 0.8665000       4.119000      0.9925000      0.8020000E-01   1.318000
  1 1 1     -20  -23   25 o    2.160000      0.6646000       1.914000 0.8758000       2.407000      0.9998000     -0.4936000       1.329000
  1 1 1     -20  -23   26 o    1.516000      0.5249000       1.447000 0.7116000       1.586000      0.7718000     -0.1389000       1.050000
  1 1 1     -20  -23   27 o    1.983000      0.6258000       1.920000 0.8657000       2.046000      0.9039000     -0.1263000       1.252000
  1 1 1     -20  -22    1 o    11.29000      0.2424000       11.52000 0.3320000       11.05000      0.3532000      0.4706000      0.4848000
  1 1 1     -20  -22    2 o    9.103000      0.2548000       9.182000 0.3479000       9.023000      0.3724000      0.1590000      0.5096000
  1 1 1     -20  -22    3 o    7.172000      0.2720000       6.922000 0.3678000       7.421000      0.4008000     -0.4985000      0.5439000
  1 1 1     -20  -22    4 o    2.119000      0.5083000       1.190000 0.5697000       3.047000      0.8420000      -1.857000       1.017000
  1 1 1     -20  -22    5 o    4.792000      0.3989000       5.049000 0.5079000       4.534000      0.6152000      0.5144000      0.7978000
  1 1 1     -20  -22    6 o    2.042000      0.5319000       2.566000 0.7976000       1.518000      0.7039000       1.048000       1.064000
  1 1 1     -20  -22    7 o    3.617000      0.5110000       2.879000 0.8056000       4.355000      0.6289000      -1.476000       1.022000
  1 1 1     -20  -22    8 o    9.372000      0.2722000       9.191000 0.3820000       9.552000      0.3880000     -0.3615000      0.5445000
  1 1 1     -20  -22    9 o    4.131000      0.4566000       4.111000 0.6173000       4.151000      0.6731000     -0.3987000E-01  0.9133000
  1 1 1     -20  -22   10 o    9.737000      0.2700000       9.643000 0.3765000       9.832000      0.3871000     -0.1882000      0.5401000
  1 1 1     -20  -22   11 o    9.835000      0.2797000       9.869000 0.3895000       9.801000      0.4014000      0.6804000E-01  0.5593000
  1 1 1     -20  -22   12 o    15.18000      0.2857000       15.43000 0.4038000       14.93000      0.4043000      0.5032000      0.5714000
  1 1 1     -20  -22   13 o    8.948000      0.4031000       9.547000 0.6688000       8.348000      0.4502000       1.200000      0.8062000
  1 1 1     -20  -22   14 f    7.146000      0.5402000       6.652000 0.8347000       7.640000      0.6860000     -0.9884000       1.080000
  1 1 1     -20  -22   15 o    8.394000      0.3377000       8.203000 0.4572000       8.585000      0.4972000     -0.3817000      0.6754000
  1 1 1     -20  -22   16 o    10.52000      0.3210000       10.58000 0.4381000       10.46000      0.4694000      0.1200000      0.6421000
  1 1 1     -20  -22   17 o    6.789000      0.5551000       5.984000 0.7681000       7.594000      0.8015000      -1.610000       1.110000
  1 1 1     -20  -22   18 o    2.777000      0.7539000       2.601000 0.9917000       2.953000       1.136000     -0.3522000       1.508000
  1 1 1     -20  -22   19 o    3.623000      0.6719000       3.958000 0.8678000       3.288000       1.026000      0.6698000       1.344000
  1 1 1     -20  -22   20 o    4.016000      0.6517000       4.091000 0.8714000       3.941000      0.9693000      0.1491000       1.303000
  1 1 1     -20  -22   21 o    3.845000      0.6296000       4.921000 0.7301000       2.770000       1.026000       2.151000       1.259000
  1 1 1     -20  -22   22 o    3.838000      0.6707000       4.648000 0.8018000       3.028000       1.075000       1.620000       1.341000
  1 1 1     -20  -22   23 o    8.642000      0.3828000       8.453000 0.5424000       8.831000      0.5403000     -0.3783000      0.7656000
  1 1 1     -20  -22   24 o    4.455000      0.6741000       3.633000 1.036000       5.278000      0.8623000      -1.645000       1.348000
  1 1 1     -20  -22   25 o    3.566000      0.7434000       3.652000 1.029000       3.480000       1.073000      0.1726000       1.487000
  1 1 1     -20  -22   26 o    1.898000      0.6052000       1.862000 0.8421000       1.934000      0.8693000     -0.7229000E-01   1.210000
  1 1 1     -20  -22   27 o    2.706000      0.7289000       2.734000 1.018000       2.679000       1.043000      0.5539000E-01   1.458000
  1 1 1     -20  -22   28 o    3.806000      0.6875000       3.417000 1.023000       4.195000      0.9183000     -0.7776000       1.375000
  1 1 1     -20  -21    1 f    2.316000      0.5482000       2.363000 0.7498000       2.268000      0.7999000      0.9571000E-01   1.096000
  1 1 1     -20  -21    2 f    2.312000      0.5314000       1.896000 0.7319000       2.729000      0.7707000     -0.8323000       1.063000
  1 1 1     -20  -21    3 o    3.023000      0.5209000       3.136000 0.6700000       2.910000      0.7978000      0.2262000       1.042000
  1 1 1     -20  -21    4 o    4.420000      0.4165000       4.523000 0.5437000       4.318000      0.6312000      0.2048000      0.8331000
  1 1 1     -20  -21    5 o    8.868000      0.2684000       8.867000 0.3728000       8.869000      0.3862000     -0.1955000E-02  0.5368000
  1 1 1     -20  -21    6 o    3.394000      0.5185000       3.320000 0.7249000       3.469000      0.7417000     -0.1489000       1.037000
  1 1 1     -20  -21    7 o    1.986000      0.5514000       1.562000 0.7054000       2.409000      0.8476000     -0.8473000       1.103000
  1 1 1     -20  -21    8 o    16.88000      0.2891000       16.83000 0.4089000       16.94000      0.4087000     -0.1142000      0.5782000
  1 1 1     -20  -21    9 o    2.653000      0.5560000       1.734000 0.7610000       3.572000      0.8110000      -1.838000       1.112000
  1 1 1     -20  -21   10 o    17.30000      0.2949000       17.33000 0.4175000       17.27000      0.4167000      0.6171000E-01  0.5898000
  1 1 1     -20  -21   11 o    8.041000      0.3087000       7.520000 0.4348000       8.562000      0.4383000      -1.042000      0.6174000
  1 1 1     -20  -21   12 o    9.418000      0.2995000       9.676000 0.4035000       9.160000      0.4429000      0.5160000      0.5991000
  1 1 1     -20  -21   13 o    4.814000      0.4843000       4.358000 0.7229000       5.270000      0.6446000     -0.9112000      0.9685000
  1 1 1     -20  -21   14 o    14.60000      0.2910000       14.48000 0.4110000       14.72000      0.4123000     -0.2411000      0.5821000
  1 1 1     -20  -21   15 o    2.312000      0.7039000       2.513000 1.058000       2.111000      0.9287000      0.4025000       1.408000
  1 1 1     -20  -21   16 o    6.157000      0.4827000       5.760000 0.5637000       6.555000      0.7836000     -0.7953000      0.9653000
  1 1 1     -20  -21   17 o    8.402000      0.4670000       8.839000 0.7778000       7.966000      0.5171000      0.8727000      0.9340000
  1 1 1     -20  -21   18 o    3.905000      0.6814000       4.196000 0.7347000       3.615000       1.148000      0.5811000       1.363000
  1 1 1     -20  -21   19 o    2.984000      0.7689000       3.163000 1.040000       2.805000       1.132000      0.3576000       1.538000
  1 1 1     -20  -21   20 o    4.311000      0.6140000       4.752000 0.7290000       3.870000      0.9882000      0.8819000       1.228000
  1 1 1     -20  -21   21 o    2.079000      0.6476000       1.932000 0.8751000       2.226000      0.9548000     -0.2939000       1.295000
  1 1 1     -20  -21   22 o    2.246000      0.6537000       2.648000 0.9860000       1.844000      0.8586000      0.8040000       1.307000
  1 1 1     -20  -21   23 o    6.527000      0.4967000       6.073000 0.7072000       6.981000      0.6975000     -0.9077000      0.9933000
  1 1 1     -20  -21   24 o    3.231000      0.7542000       2.984000 1.060000       3.477000       1.073000     -0.4932000       1.508000
  1 1 1     -20  -21   25 f    2.581000      0.6796000       3.137000 1.009000       2.025000      0.9106000       1.112000       1.359000
  1 1 1     -20  -21   26 o    3.409000       1.043000       3.409000 1.043000                  ?              ?              ?              ?
  1 1 1     -20  -21   27 o    2.791000      0.7188000       2.992000 1.017000       2.589000       1.016000      0.4023000       1.438000
  1 1 1     -20  -21   28 o    3.935000      0.9620000                  ?       ?   3.935000      0.9620000                  ?              ?
  1 1 1     -20  -20    1 o    1.848000      0.4988000       2.280000 0.7615000       1.417000      0.6445000      0.8627000      0.9976000
  1 1 1     -20  -20    2 o    5.521000      0.3010000       5.705000 0.4043000       5.337000      0.4459000      0.3682000      0.6019000
  1 1 1     -20  -20    3 o    6.103000      0.2848000       6.005000 0.4096000       6.201000      0.3957000     -0.1951000      0.5695000
  1 1 1     -20  -20    4 o    8.509000      0.2632000       8.417000 0.3689000       8.601000      0.3756000     -0.1834000      0.5265000
  1 1 1     -20  -20    5 o    3.033000      0.5594000       2.964000 0.7461000       3.101000      0.8336000     -0.1369000       1.119000
  1 1 1     -20  -20    6 o    10.22000      0.2604000       10.12000 0.3593000       10.33000      0.3769000     -0.2180000      0.5208000
  1 1 1     -20  -20    7 f    5.944000      0.3414000       5.461000 0.4851000       6.427000      0.4805000     -0.9658000      0.6827000
  1 1 1     -20  -20    8 f    9.837000      0.2645000       10.18000 0.3691000       9.491000      0.3790000      0.6927000      0.5290000
  1 1 1     -20  -20    9 o    7.142000      0.3076000       6.830000 0.4382000       7.455000      0.4318000     -0.6254000      0.6152000
  1 1 1     -20  -20   10 o    13.59000      0.2753000       13.38000 0.3803000       13.79000      0.3981000     -0.4083000      0.5505000
  1 1 1     -20  -20   11 o    5.232000      0.3861000       5.149000 0.5284000       5.316000      0.5630000     -0.1662000      0.7721000
  1 1 1     -20  -20   12 o    6.417000      0.3567000       6.224000 0.5117000       6.609000      0.4970000     -0.3856000      0.7133000
  1 1 1     -20  -20   13 o    12.34000      0.2746000       12.35000 0.3908000       12.33000      0.3860000      0.1833000E-01  0.5493000
  1 1 1     -20  -20   14 o    14.95000      0.2913000       14.85000 0.4058000       15.05000      0.4180000     -0.2056000      0.5826000
  1 1 1     -20  -20   15 o    7.506000      0.3432000       7.424000 0.4792000       7.589000      0.4915000     -0.1650000      0.6864000
  1 1 1     -20  -20   16 o    5.983000      0.6362000       6.570000 0.8831000       5.396000      0.9160000       1.174000       1.272000
  1 1 1     -20  -20   17 o    5.674000      0.4853000       5.346000 0.5582000       6.003000      0.7939000     -0.6563000      0.9705000
  1 1 1     -20  -20   18 o    4.026000      0.5948000       3.730000 0.8483000       4.323000      0.8339000     -0.5931000       1.190000
  1 1 1     -20  -20   19 o    4.751000      0.6494000       5.366000 0.5541000       4.136000       1.175000       1.230000       1.299000
  1 1 1     -20  -20   20 o    5.944000      0.6510000       6.796000 0.6618000       5.093000       1.121000       1.703000       1.302000
  1 1 1     -20  -20   21 f    4.108000      0.6486000       3.591000 0.9648000       4.624000      0.8671000      -1.033000       1.297000
  1 1 1     -20  -20   22 o    4.257000      0.6711000       4.788000 0.8518000       3.726000       1.037000       1.062000       1.342000
  1 1 1     -20  -20   23 o    2.584000      0.7149000       2.650000 1.002000       2.518000       1.020000      0.1319000       1.430000
  1 1 1     -20  -20   24 o    5.755000      0.5242000       5.715000 0.6839000       5.795000      0.7947000     -0.7981000E-01   1.048000
  1 1 1     -20  -20   25 o    4.272000      0.6766000       4.640000 0.8305000       3.905000       1.068000      0.7350000       1.353000
  1 1 1     -20  -20   26 o    2.173000      0.9529000       2.173000 0.9529000                  ?              ?              ?              ?
  1 1 1     -20  -20   27 o    5.710000      0.4925000       6.004000 0.6676000       5.417000      0.7243000      0.5865000      0.9850000
  1 1 1     -20  -20   28 o    4.607000      0.9495000                  ?       ?   4.607000      0.9495000                  ?              ?
  1 1 1     -20  -20   29 o    2.288000      0.6650000       1.993000 0.8786000       2.582000      0.9984000     -0.5890000       1.330000
  1 1 1     -20  -19    1 o    4.353000      0.3719000       4.824000 0.4681000       3.882000      0.5780000      0.9416000      0.7438000
  1 1 1     -20  -19    2 o    10.27000      0.2408000       10.33000 0.3360000       10.22000      0.3450000      0.1136000      0.4816000
  1 1 1     -20  -19    3 o    8.466000      0.2546000       8.439000 0.3475000       8.493000      0.3722000     -0.5383000E-01  0.5092000
  1 1 1     -20  -19    4 o    8.754000      0.2511000       8.630000 0.3532000       8.878000      0.3571000     -0.2478000      0.5023000
  1 1 1     -20  -19    5 o    4.654000      0.3983000       3.979000 0.6279000       5.329000      0.4903000      -1.349000      0.7966000
  1 1 1     -20  -19    6 o    6.937000      0.2838000       6.742000 0.3968000       7.133000      0.4060000     -0.3909000      0.5677000
  1 1 1     -20  -19    7 o    10.36000      0.2569000       10.36000 0.3565000       10.36000      0.3698000     -0.4244000E-02  0.5137000
  1 1 1     -20  -19    8 o    7.434000      0.2993000       7.691000 0.4035000       7.178000      0.4421000      0.5136000      0.5986000
  1 1 1     -20  -19    9 o    9.563000      0.2735000       9.947000 0.3748000       9.179000      0.3985000      0.7681000      0.5470000
  1 1 1     -20  -19   10 o    8.697000      0.2777000       8.440000 0.3874000       8.955000      0.3982000     -0.5149000      0.5555000
  1 1 1     -20  -19   11 o    15.35000      0.2827000       15.27000 0.3997000       15.43000      0.3999000     -0.1579000      0.5654000
  1 1 1     -20  -19   12 o    7.365000      0.3171000       7.315000 0.4387000       7.415000      0.4580000     -0.9989000E-01  0.6342000
  1 1 1     -20  -19   13 o    16.43000      0.2932000       16.40000 0.4158000       16.45000      0.4135000     -0.4887000E-01  0.5864000
  1 1 1     -20  -19   14 o    15.84000      0.2933000       15.90000 0.4107000       15.78000      0.4189000      0.1141000      0.5867000
  1 1 1     -20  -19   15 o    5.084000      0.4393000       5.380000 0.5481000       4.787000      0.6866000      0.5928000      0.8786000
  1 1 1     -20  -19   16 o    4.839000      0.4722000       4.732000 0.6523000       4.947000      0.6830000     -0.2154000      0.9445000
  1 1 1     -20  -19   17 o    6.515000      0.5463000       6.789000 0.7965000       6.240000      0.7479000      0.5491000       1.093000
  1 1 1     -20  -19   18 o    9.349000      0.4111000       8.988000 0.6895000       9.710000      0.4480000     -0.7219000      0.8223000
  1 1 1     -20  -19   19 o    3.313000      0.6314000       4.056000 0.8043000       2.570000      0.9735000       1.486000       1.263000
  1 1 1     -20  -19   20 o    4.122000      0.7170000       5.133000 0.8205000       3.110000       1.176000       2.023000       1.434000
  1 1 1     -20  -19   21 o    4.903000      0.7300000       4.450000 1.041000       5.357000       1.024000     -0.9070000       1.460000
  1 1 1     -20  -19   22 o    5.806000      0.4782000       6.063000 0.6365000       5.549000      0.7139000      0.5139000      0.9565000
  1 1 1     -20  -19   23 o    3.783000      0.7370000       3.971000 0.9946000       3.596000       1.088000      0.3754000       1.474000
  1 1 1     -20  -19   24 o    7.191000      0.4169000       6.392000 0.6137000       7.991000      0.5644000      -1.599000      0.8338000
  1 1 1     -20  -19   25 o    2.267000      0.6889000       2.361000 0.9784000       2.172000      0.9701000      0.1890000       1.378000
  1 1 1     -20  -19   26 f    3.034000      0.7551000       2.862000 1.024000       3.206000       1.110000     -0.3443000       1.510000
  1 1 1     -20  -19   27 o    4.834000      0.6146000       4.652000 0.9069000       5.016000      0.8298000     -0.3636000       1.229000
  1 1 1     -20  -19   28 o    2.584000      0.7095000       2.308000 0.9510000       2.860000       1.053000     -0.5528000       1.419000
  1 1 1     -20  -19   29 o    2.635000      0.6774000       3.239000 1.014000       2.032000      0.8982000       1.208000       1.355000
  1 1 1     -20  -18    1 o    4.886000      0.4557000       5.430000 0.5389000       4.342000      0.7350000       1.088000      0.9114000
  1 1 1     -20  -18    2 o    8.902000      0.3226000       9.290000 0.4219000       8.514000      0.4882000      0.7768000      0.6452000
  1 1 1     -20  -18    3 o    2.262000      0.5480000       2.274000 0.7745000       2.249000      0.7755000      0.2479000E-01   1.096000
  1 1 1     -20  -18    4 o    6.674000      0.2835000       6.665000 0.3936000       6.682000      0.4080000     -0.1698000E-01  0.5670000
  1 1 1     -20  -18    5 f    10.05000      0.2487000       9.981000 0.3490000       10.12000      0.3543000     -0.1374000      0.4973000
  1 1 1     -20  -18    6 o    3.857000      0.4354000       3.772000 0.6234000       3.942000      0.6082000     -0.1699000      0.8709000
  1 1 1     -20  -18    7 o    6.253000      0.3215000       6.468000 0.4339000       6.037000      0.4746000      0.4315000      0.6431000
  1 1 1     -20  -18    8 o    3.469000      0.5365000       3.235000 0.7988000       3.703000      0.7163000     -0.4677000       1.073000
  1 1 1     -20  -18    9 o    5.269000      0.3738000       5.350000 0.5139000       5.188000      0.5430000      0.1626000      0.7477000
  1 1 1     -20  -18   10 o    3.307000      0.5498000       3.682000 0.6964000       2.932000      0.8510000      0.7501000       1.100000
  1 1 1     -20  -18   11 o    11.23000      0.2692000       11.08000 0.3778000       11.38000      0.3836000     -0.2968000      0.5383000
  1 1 1     -20  -18   12 o    2.226000      0.5947000       2.527000 0.8642000       1.924000      0.8172000      0.6034000       1.189000
  1 1 1     -20  -18   13 o    9.756000      0.2778000       10.00000 0.3879000       9.510000      0.3979000      0.4906000      0.5557000
  1 1 1     -20  -18   14 o    3.061000      0.5828000       2.296000 0.8608000       3.827000      0.7859000      -1.532000       1.166000
  1 1 1     -20  -18   15 o    10.03000      0.2952000       9.711000 0.4077000       10.35000      0.4271000     -0.6371000      0.5905000
  1 1 1     -20  -18   16 o    4.241000      0.5630000       5.186000 0.6214000       3.296000      0.9389000       1.890000       1.126000
  1 1 1     -20  -18   17 o    10.05000      0.3042000       9.822000 0.4257000       10.28000      0.4346000     -0.4532000      0.6084000
  1 1 1     -20  -18   18 o    6.143000      0.6425000       6.557000 0.9089000       5.728000      0.9084000      0.8293000       1.285000
  1 1 1     -20  -18   19 o    6.415000      0.4221000       6.280000 0.6078000       6.549000      0.5859000     -0.2687000      0.8443000
  1 1 1     -20  -18   20 o    8.837000      0.3494000       8.576000 0.4844000       9.099000      0.5038000     -0.5229000      0.6989000
  1 1 1     -20  -18   21 o    11.57000      0.4392000       11.68000 0.5751000       11.46000      0.6640000      0.2209000      0.8784000
  1 1 1     -20  -18   22 o    2.406000      0.6896000       2.227000 0.9801000       2.585000      0.9703000     -0.3585000       1.379000
  1 1 1     -20  -18   23 o    8.520000      0.3803000       9.124000 0.5010000       7.916000      0.5724000       1.208000      0.7607000
  1 1 1     -20  -18   24 o    4.222000      0.6664000       3.534000 0.9877000       4.911000      0.8948000      -1.378000       1.333000
  1 1 1     -20  -18   25 o    3.474000      0.7253000       3.927000 0.9517000       3.021000       1.095000      0.9052000       1.451000
  1 1 1     -20  -18   26 o    6.418000      0.4839000       6.867000 0.6175000       5.969000      0.7453000      0.8980000      0.9678000
  1 1 1     -20  -18   27 f    2.999000      0.7462000       2.862000 1.056000       3.136000       1.054000     -0.2736000       1.492000
  1 1 1     -20  -18   28 o    3.806000      0.6887000       3.589000 1.009000       4.023000      0.9380000     -0.4336000       1.377000
  1 1 1     -20  -18   29 o    3.103000      0.7134000       2.418000 0.9839000       3.787000       1.033000      -1.368000       1.427000
  1 1 1     -20  -18   30 o    3.272000      0.6640000       2.623000 0.9900000       3.922000      0.8850000      -1.299000       1.328000
  1 1 1     -20  -17    1 o    6.462000      0.2661000       6.603000 0.3706000       6.322000      0.3820000      0.2812000      0.5323000
  1 1 1     -20  -17    2 o    10.36000      0.3302000       10.59000 0.4441000       10.13000      0.4888000      0.4606000      0.6605000
  1 1 1     -20  -17    3 o    4.835000      0.4420000       4.697000 0.5851000       4.973000      0.6628000     -0.2765000      0.8841000
  1 1 1     -20  -17    4 o    6.622000      0.2760000       6.453000 0.3993000       6.792000      0.3812000     -0.3390000      0.5521000
  1 1 1     -20  -17    5 o    5.059000      0.3311000       5.115000 0.4715000       5.004000      0.4651000      0.1108000      0.6623000
  1 1 1     -20  -17    6 o    4.858000      0.3514000       5.252000 0.4373000       4.463000      0.5503000      0.7886000      0.7029000
  1 1 1     -20  -17    7 o    4.657000      0.3752000       4.593000 0.5133000       4.721000      0.5474000     -0.1279000      0.7504000
  1 1 1     -20  -17    8 o    3.345000      0.5361000       4.102000 0.6416000       2.589000      0.8590000       1.513000       1.072000
  1 1 1     -20  -17    9 o    7.465000      0.2932000       7.394000 0.3923000       7.536000      0.4358000     -0.1418000      0.5864000
  1 1 1     -20  -17   10 o    12.28000      0.2677000       12.47000 0.3773000       12.08000      0.3798000      0.3952000      0.5354000
  1 1 1     -20  -17   11 o    13.34000      0.2652000       13.45000 0.3777000       13.22000      0.3723000      0.2274000      0.5304000
  1 1 1     -20  -17   12 o    2.061000      0.5831000       1.948000 0.7928000       2.173000      0.8552000     -0.2248000       1.166000
  1 1 1     -20  -17   13 o    4.510000      0.4695000       4.610000 0.6180000       4.409000      0.7069000      0.2017000      0.9389000
  1 1 1     -20  -17   14 o    9.702000      0.2816000       9.759000 0.4024000       9.645000      0.3941000      0.1136000      0.5632000
  1 1 1     -20  -17   15 o    16.19000      0.2920000       16.00000 0.4078000       16.39000      0.4180000     -0.3828000      0.5840000
  1 1 1     -20  -17   16 o    2.746000      0.6452000       2.629000 0.8935000       2.863000      0.9310000     -0.2346000       1.290000
  1 1 1     -20  -17   17 o    5.855000      0.3848000       5.747000 0.5365000       5.963000      0.5517000     -0.2160000      0.7695000
  1 1 1     -20  -17   18 o    2.877000      0.7167000       2.904000 1.169000       2.851000      0.8300000      0.5312000E-01   1.433000
  1 1 1     -20  -17   19 o    8.295000      0.4827000       8.010000 0.7438000       8.579000      0.6155000     -0.5687000      0.9654000
  1 1 1     -20  -17   20 o    3.945000      0.6373000       3.307000 0.9508000       4.584000      0.8488000      -1.277000       1.275000
  1 1 1     -20  -17   21 o    9.818000      0.3306000       9.928000 0.4469000       9.709000      0.4873000      0.2185000      0.6612000
  1 1 1     -20  -17   22 o    5.401000      0.7150000       4.602000 1.010000       6.199000       1.012000      -1.597000       1.430000
  1 1 1     -20  -17   23 f    7.232000      0.4276000       6.622000 0.6224000       7.841000      0.5865000      -1.219000      0.8552000
  1 1 1     -20  -17   24 o    10.02000      0.3517000       10.27000 0.4803000       9.762000      0.5140000      0.5065000      0.7035000
  1 1 1     -20  -17   25 o    6.600000      0.4744000       6.111000 0.6718000       7.088000      0.6700000     -0.9775000      0.9488000
  1 1 1     -20  -17   26 o    5.674000      0.5137000       5.536000 0.7011000       5.811000      0.7509000     -0.2749000       1.027000
  1 1 1     -20  -17   27 o    1.871000      0.8620000       1.871000 0.8620000                  ?              ?              ?              ?
  1 1 1     -20  -17   28 o    4.864000      0.5740000       4.845000 0.8359000       4.884000      0.7869000     -0.3833000E-01   1.148000
  1 1 1     -20  -17   29 o    1.909000      0.6043000       1.749000 0.7966000       2.068000      0.9088000     -0.3198000       1.209000
  1 1 1     -20  -17   30 o    2.969000      0.7134000       3.124000 1.024000       2.814000      0.9941000      0.3098000       1.427000
  1 1 1     -20  -16    1 o    2.123000      0.5092000       2.600000 0.7385000       1.646000      0.7011000      0.9535000       1.018000
  1 1 1     -20  -16    2 o    2.963000      0.4753000       3.335000 0.6128000       2.592000      0.7266000      0.7427000      0.9505000
  1 1 1     -20  -16    3 o    2.828000      0.6237000       2.456000 0.8381000       3.201000      0.9239000     -0.7458000       1.247000
  1 1 1     -20  -16    4 o    5.572000      0.4294000       6.009000 0.5044000       5.136000      0.6951000      0.8728000      0.8588000
  1 1 1     -20  -16    5 o    1.685000      0.5035000       1.972000 0.7713000       1.399000      0.6474000      0.5727000       1.007000
  1 1 1     -20  -16    6 o    2.262000      0.5461000       1.884000 0.7438000       2.640000      0.7999000     -0.7568000       1.092000
  1 1 1     -20  -16    7 o    11.00000      0.2482000       11.15000 0.3470000       10.86000      0.3551000      0.2946000      0.4965000
  1 1 1     -20  -16    8 o    3.098000      0.5419000       3.030000 0.7613000       3.165000      0.7715000     -0.1349000       1.084000
  1 1 1     -20  -16    9 o    9.866000      0.2704000       9.467000 0.3846000       10.26000      0.3802000     -0.7978000      0.5408000
  1 1 1     -20  -16   10 o    11.24000      0.2619000       11.47000 0.3704000       11.01000      0.3703000      0.4632000      0.5238000
  1 1 1     -20  -16   11 o    12.27000      0.2635000       12.00000 0.3675000       12.54000      0.3777000     -0.5388000      0.5270000
  1 1 1     -20  -16   12 o    6.117000      0.3506000       6.396000 0.4618000       5.839000      0.5277000      0.5571000      0.7012000
  1 1 1     -20  -16   13 o    6.083000      0.3462000       6.440000 0.4594000       5.725000      0.5181000      0.7148000      0.6925000
  1 1 1     -20  -16   14 o    8.509000      0.2986000       8.345000 0.4227000       8.673000      0.4219000     -0.3278000      0.5973000
  1 1 1     -20  -16   15 o    11.72000      0.2754000       11.93000 0.3915000       11.51000      0.3875000      0.4160000      0.5509000
  1 1 1     -20  -16   16 o    8.243000      0.3125000       8.388000 0.4336000       8.097000      0.4501000      0.2910000      0.6250000
  1 1 1     -20  -16   17 f    2.461000      0.6338000       2.080000 0.8570000       2.843000      0.9341000     -0.7628000       1.268000
  1 1 1     -20  -16   18 o    4.697000      0.5096000       4.663000 0.6970000       4.731000      0.7436000     -0.6742000E-01   1.019000
  1 1 1     -20  -16   19 o    8.431000      0.4701000       8.473000 0.7008000       8.388000      0.6269000      0.8551000E-01  0.9402000
  1 1 1     -20  -16   20 o    3.474000      0.7233000       2.652000 0.9054000       4.296000       1.128000      -1.645000       1.447000
  1 1 1     -20  -16   21 o    5.071000      0.5303000       4.707000 0.7504000       5.435000      0.7496000     -0.7286000       1.061000
  1 1 1     -20  -16   22 o    10.25000      0.4588000       10.20000 0.6054000       10.30000      0.6896000     -0.9223000E-01  0.9177000
  1 1 1     -20  -16   23 o    2.777000      0.7963000       2.993000 1.123000       2.561000       1.130000      0.4317000       1.593000
  1 1 1     -20  -16   24 o    10.64000      0.3333000       10.36000 0.4570000       10.91000      0.4854000     -0.5454000      0.6667000
  1 1 1     -20  -16   25 o    3.780000      0.7077000       3.992000 0.9434000       3.568000       1.055000      0.4238000       1.415000
  1 1 1     -20  -16   26 o    2.407000      0.6963000       2.119000 0.9220000       2.695000       1.044000     -0.5764000       1.393000
  1 1 1     -20  -16   27 o    3.163000       1.019000       3.163000 1.019000                  ?              ?              ?              ?
  1 1 1     -20  -16   28 o    3.573000      0.6872000       3.152000 1.022000       3.994000      0.9195000     -0.8420000       1.374000
  1 1 1     -20  -16   29 o    4.273000      0.8834000                  ?       ?   4.273000      0.8834000                  ?              ?
  1 1 1     -20  -16   30 o    4.493000      0.6091000       3.870000 0.9642000       5.116000      0.7447000      -1.246000       1.218000
  1 1 1     -20  -16   31 o    2.642000      0.7334000       3.493000 1.209000       1.790000      0.8310000       1.704000       1.467000
  1 1 1     -20  -15    1 o    4.714000      0.4833000       4.898000 0.6643000       4.529000      0.7021000      0.3687000      0.9665000
  1 1 1     -20  -15    2 o    6.853000      0.2516000       6.716000 0.3567000       6.990000      0.3549000     -0.2747000      0.5032000
  1 1 1     -20  -15    3 o    1.788000      0.4909000       2.087000 0.7251000       1.489000      0.6619000      0.5987000      0.9818000
  1 1 1     -20  -15    4 o    4.997000      0.4412000       4.035000 0.6357000       5.958000      0.6119000      -1.923000      0.8824000
  1 1 1     -20  -15    5 o    8.096000      0.3370000       8.656000 0.4520000       7.537000      0.4999000       1.119000      0.6740000
  1 1 1     -20  -15    6 o    11.08000      0.2472000       10.80000 0.3526000       11.36000      0.3464000     -0.5511000      0.4943000
  1 1 1     -20  -15    7 o    10.83000      0.2500000       11.00000 0.3468000       10.65000      0.3602000      0.3565000      0.5000000
  1 1 1     -20  -15    8 o    2.469000      0.5189000       1.728000 0.7260000       3.209000      0.7416000      -1.481000       1.038000
  1 1 1     -20  -15    9 o    10.27000      0.2638000       10.38000 0.3739000       10.15000      0.3723000      0.2315000      0.5276000
  1 1 1     -20  -15   10 o    6.993000      0.2981000       6.802000 0.4163000       7.184000      0.4268000     -0.3819000      0.5962000
  1 1 1     -20  -15   11 o    3.848000      0.5198000       3.963000 0.6875000       3.733000      0.7799000      0.2305000       1.040000
  1 1 1     -20  -15   12 o    11.15000      0.2664000       11.23000 0.3769000       11.06000      0.3766000      0.1750000      0.5328000
  1 1 1     -20  -15   13 o    5.340000      0.3978000       5.117000 0.5596000       5.563000      0.5656000     -0.4466000      0.7957000
  1 1 1     -20  -15   14 o    7.191000      0.3190000       6.724000 0.4639000       7.657000      0.4379000     -0.9330000      0.6380000
  1 1 1     -20  -15   15 o    4.794000      0.4602000       5.182000 0.5669000       4.406000      0.7252000      0.7764000      0.9205000
  1 1 1     -20  -15   16 o    3.250000      0.5822000       2.570000 0.8693000       3.931000      0.7746000      -1.361000       1.164000
  1 1 1     -20  -15   17 o    5.000000      0.4543000       5.177000 0.5928000       4.823000      0.6886000      0.3540000      0.9086000
  1 1 1     -20  -15   18 o    6.305000      0.3887000       6.680000 0.4999000       5.929000      0.5953000      0.7512000      0.7773000
  1 1 1     -20  -15   19 o    8.398000      0.3303000       8.727000 0.4540000       8.069000      0.4798000      0.6577000      0.6605000
  1 1 1     -20  -15   20 o    8.514000      0.4908000       8.478000 0.7252000       8.549000      0.6614000     -0.7037000E-01  0.9815000
  1 1 1     -20  -15   21 o    3.261000      0.6751000       3.315000 0.9153000       3.207000      0.9927000      0.1076000       1.350000
  1 1 1     -20  -15   22 o    16.61000      0.3186000       16.76000 0.4448000       16.46000      0.4563000      0.3028000      0.6372000
  1 1 1     -20  -15   23 o    3.124000      0.8078000       2.528000 1.058000       3.721000       1.221000      -1.193000       1.616000
  1 1 1     -20  -15   24 o    7.659000      0.3959000       7.207000 0.5647000       8.112000      0.5550000     -0.9048000      0.7918000
  1 1 1     -20  -15   25 o    2.938000      0.7180000       3.044000 0.9974000       2.832000       1.033000      0.2115000       1.436000
  1 1 1     -20  -15   26 o    2.246000      0.6607000       1.836000 0.8426000       2.656000       1.018000     -0.8207000       1.321000
  1 1 1     -20  -15   27 o    3.188000      0.7124000       3.736000 1.002000       2.640000       1.013000       1.096000       1.425000
  1 1 1     -20  -15   28 o    2.709000      0.7018000       3.211000 1.037000       2.207000      0.9463000       1.004000       1.404000
  1 1 1     -20  -15   29 o    4.095000      0.6953000       3.061000 1.164000       5.128000      0.7614000      -2.067000       1.391000
  1 1 1     -20  -15   30 o    2.795000      0.6247000       1.882000 0.8566000       3.707000      0.9096000      -1.826000       1.249000
  1 1 1     -20  -15   31 o    2.542000      0.6703000       2.204000 0.9229000       2.881000      0.9723000     -0.6768000       1.341000
  1 1 1     -20  -14    1 f    3.903000      0.3800000       3.620000 0.5674000       4.186000      0.5057000     -0.5665000      0.7600000
  1 1 1     -20  -14    2 o    6.241000      0.3874000       6.087000 0.5690000       6.394000      0.5259000     -0.3066000      0.7748000
  1 1 1     -20  -14    3 o    4.027000      0.3851000       4.581000 0.4765000       3.474000      0.6051000       1.107000      0.7701000
  1 1 1     -20  -14    4 o    11.54000      0.2381000       11.15000 0.3375000       11.93000      0.3359000     -0.7806000      0.4762000
  1 1 1     -20  -14    5 o    6.294000      0.3811000       5.857000 0.5298000       6.732000      0.5480000     -0.8754000      0.7623000
  1 1 1     -20  -14    6 o    12.39000      0.3416000       12.44000 0.4741000       12.34000      0.4919000      0.1016000      0.6831000
  1 1 1     -20  -14    7 o    10.71000      0.2482000       10.50000 0.3514000       10.93000      0.3505000     -0.4340000      0.4963000
  1 1 1     -20  -14    8 o    3.550000      0.4809000       3.480000 0.6906000       3.620000      0.6695000     -0.1403000      0.9618000
  1 1 1     -20  -14    9 o    8.461000      0.2672000       9.063000 0.3724000       7.859000      0.3834000       1.204000      0.5345000
  1 1 1     -20  -14   10 o    4.203000      0.4534000       3.515000 0.7280000       4.891000      0.5406000      -1.376000      0.9067000
  1 1 1     -20  -14   11 o    3.524000      0.5473000       3.244000 0.7893000       3.804000      0.7584000     -0.5600000       1.095000
  1 1 1     -20  -14   12 o    7.283000      0.3101000       7.721000 0.4055000       6.845000      0.4691000      0.8760000      0.6201000
  1 1 1     -20  -14   13 o    4.444000      0.4633000       4.778000 0.5841000       4.111000      0.7194000      0.6667000      0.9267000
  1 1 1     -20  -14   14 o    1.743000      0.5354000       1.999000 0.8095000       1.486000      0.7008000      0.5135000       1.071000
  1 1 1     -20  -14   15 o    6.306000      0.3523000       6.295000 0.4853000       6.317000      0.5108000     -0.2124000E-01  0.7046000
  1 1 1     -20  -14   16 o    9.906000      0.2824000       9.812000 0.3974000       9.999000      0.4013000     -0.1867000      0.5648000
  1 1 1     -20  -14   17 o    11.50000      0.2852000       11.41000 0.3949000       11.58000      0.4115000     -0.1640000      0.5703000
  1 1 1     -20  -14   18 o    4.864000      0.4787000       5.397000 0.5816000       4.331000      0.7605000       1.065000      0.9574000
  1 1 1     -20  -14   19 o    4.760000      0.4947000       4.176000 0.7689000       5.343000      0.6227000      -1.167000      0.9895000
  1 1 1     -20  -14   20 o    8.607000      0.4701000       9.399000 0.6585000       7.815000      0.6712000       1.584000      0.9403000
  1 1 1     -20  -14   21 o    4.023000      0.5998000       4.479000 0.7475000       3.567000      0.9381000      0.9125000       1.200000
  1 1 1     -20  -14   22 o    4.591000      0.5787000       4.223000 0.8526000       4.960000      0.7826000     -0.7367000       1.157000
  1 1 1     -20  -14   23 o    9.387000      0.4700000       8.711000 0.6580000       10.06000      0.6712000      -1.351000      0.9399000
  1 1 1     -20  -14   24 o    2.178000      0.6575000       2.377000 0.9609000       1.979000      0.8978000      0.3977000       1.315000
  1 1 1     -20  -14   25 o    1.998000      0.6215000       2.314000 0.9496000       1.682000      0.8021000      0.6318000       1.243000
  1 1 1     -20  -14   26 o    2.661000      0.6729000       3.281000 0.9968000       2.041000      0.9043000       1.240000       1.346000
  1 1 1     -20  -14   27 o    3.492000      0.6979000       2.684000 1.001000       4.299000      0.9731000      -1.615000       1.396000
  1 1 1     -20  -14   28 o    3.436000      0.7263000       3.633000 1.008000       3.239000       1.046000      0.3939000       1.453000
  1 1 1     -20  -14   29 o    4.476000      0.6342000       4.097000 0.9795000       4.855000      0.8060000     -0.7579000       1.268000
  1 1 1     -20  -14   30 o    3.062000      0.7293000       3.265000 1.047000       2.860000       1.016000      0.4049000       1.459000
  1 1 1     -20  -14   31 o    3.202000      0.6786000       3.985000 0.9738000       2.419000      0.9454000       1.565000       1.357000
  1 1 1     -20  -13    1 o    1.566000      0.4624000       1.288000 0.5911000       1.844000      0.7112000     -0.5562000      0.9248000
  1 1 1     -20  -13    2 o    7.662000      0.3678000       7.142000 0.5659000       8.182000      0.4699000      -1.040000      0.7355000
  1 1 1     -20  -13    3 o    9.176000      0.3389000       8.856000 0.4992000       9.497000      0.4585000     -0.6413000      0.6778000
  1 1 1     -20  -13    4 o    15.63000      0.2640000       15.76000 0.3757000       15.50000      0.3711000      0.2615000      0.5281000
  1 1 1     -20  -13    5 o    2.306000      0.5311000       2.202000 0.7488000       2.410000      0.7535000     -0.2080000       1.062000
  1 1 1     -20  -13    6 o    5.120000      0.4681000       5.440000 0.5881000       4.801000      0.7285000      0.6395000      0.9362000
  1 1 1     -20  -13    7 o    2.394000      0.6186000       2.205000 0.8541000       2.582000      0.8951000     -0.3767000       1.237000
  1 1 1     -20  -13    8 o    9.818000      0.3180000       10.06000 0.5241000       9.574000      0.3604000      0.4866000      0.6361000
  1 1 1     -20  -13    9 o    10.09000      0.2508000       10.40000 0.3517000       9.768000      0.3576000      0.6340000      0.5016000
  1 1 1     -20  -13   10 o    1.937000      0.5462000       2.187000 0.8142000       1.687000      0.7282000      0.5001000       1.092000
  1 1 1     -20  -13   11 o    6.201000      0.3344000       5.916000 0.4799000       6.486000      0.4658000     -0.5704000      0.6688000
  1 1 1     -20  -13   12 o    1.771000      0.5408000       1.556000 0.7065000       1.986000      0.8191000     -0.4296000       1.082000
  1 1 1     -20  -13   13 o    7.146000      0.3191000       7.629000 0.4272000       6.664000      0.4741000      0.9654000      0.6382000
  1 1 1     -20  -13   14 o    2.341000      0.5985000       1.985000 0.8085000       2.697000      0.8827000     -0.7115000       1.197000
  1 1 1     -20  -13   15 o    13.06000      0.2728000       13.65000 0.3838000       12.47000      0.3876000       1.186000      0.5455000
  1 1 1     -20  -13   16 o    5.449000      0.3826000       5.355000 0.5486000       5.543000      0.5335000     -0.1876000      0.7652000
  1 1 1     -20  -13   17 o    3.903000      0.5508000       4.677000 0.6455000       3.129000      0.8925000       1.548000       1.102000
  1 1 1     -20  -13   18 f    7.738000      0.3206000       8.002000 0.4325000       7.474000      0.4735000      0.5275000      0.6413000
  1 1 1     -20  -13   19 o    7.996000      0.3249000       7.411000 0.4739000       8.582000      0.4447000      -1.171000      0.6499000
  1 1 1     -20  -13   20 o    8.726000      0.4407000       8.850000 0.6405000       8.603000      0.6054000      0.2479000      0.8813000
  1 1 1     -20  -13   21 o    7.664000      0.5075000       7.588000 0.7498000       7.740000      0.6840000     -0.1523000       1.015000
  1 1 1     -20  -13   22 o    7.152000      0.3849000       6.871000 0.5482000       7.433000      0.5405000     -0.5615000      0.7698000
  1 1 1     -20  -13   23 o    14.73000      0.4386000       14.70000 0.5928000       14.75000      0.6465000     -0.5546000E-01  0.8771000
  1 1 1     -20  -13   24 o    4.746000      0.7949000       4.660000 1.044000       4.832000       1.199000     -0.1726000       1.590000
  1 1 1     -20  -13   25 o    2.328000      0.6807000       2.156000 0.9228000       2.500000       1.001000     -0.3444000       1.361000
  1 1 1     -20  -13   26 o    6.227000      0.4760000       6.825000 0.6199000       5.629000      0.7226000       1.196000      0.9521000
  1 1 1     -20  -13   27 o    5.260000      0.5650000       4.703000 0.8383000       5.818000      0.7577000      -1.115000       1.130000
  1 1 1     -20  -13   28 o    2.459000      0.6813000       2.007000 0.8966000       2.912000       1.026000     -0.9052000       1.363000
  1 1 1     -20  -13   29 o    2.474000      0.7005000       2.401000 0.9746000       2.546000       1.007000     -0.1451000       1.401000
  1 1 1     -20  -13   30 o    2.193000      0.6582000       1.874000 0.8630000       2.513000      0.9941000     -0.6388000       1.316000
  1 1 1     -20  -13   31 o    3.270000      0.6698000       3.880000 0.9281000       2.661000      0.9659000       1.219000       1.340000
  1 1 1     -20  -12    1 o    8.820000      0.2300000       8.318000 0.3286000       9.322000      0.3219000      -1.004000      0.4601000
  1 1 1     -20  -12    2 o    6.439000      0.2627000       5.898000 0.3920000       6.980000      0.3498000      -1.081000      0.5254000
  1 1 1     -20  -12    3 o    13.11000      0.3450000       13.49000 0.5046000       12.73000      0.4707000      0.7616000      0.6901000
  1 1 1     -20  -12    4 o    3.156000      0.6134000       2.719000 0.9358000       3.593000      0.7933000     -0.8742000       1.227000
  1 1 1     -20  -12    5 o    5.267000      0.2976000       5.465000 0.4145000       5.070000      0.4273000      0.3953000      0.5953000
  1 1 1     -20  -12    6 o    6.583000      0.2562000       7.156000 0.3490000       6.010000      0.3752000       1.146000      0.5124000
  1 1 1     -20  -12    7 o    2.284000      0.5918000       1.762000 0.7676000       2.805000      0.9008000      -1.043000       1.184000
  1 1 1     -20  -12    8 o    3.036000      0.5045000       3.262000 0.6642000       2.810000      0.7595000      0.4517000       1.009000
  1 1 1     -20  -12    9 f    14.96000      0.2677000       14.70000 0.3756000       15.22000      0.3816000     -0.5196000      0.5355000
  1 1 1     -20  -12   10 o    4.635000      0.3830000       4.779000 0.5230000       4.490000      0.5597000      0.2895000      0.7660000
  1 1 1     -20  -12   11 o    5.353000      0.3576000       5.281000 0.4967000       5.425000      0.5147000     -0.1434000      0.7153000
  1 1 1     -20  -12   12 o    9.690000      0.2661000       9.608000 0.3769000       9.773000      0.3757000     -0.1647000      0.5322000
  1 1 1     -20  -12   13 o    8.970000      0.2746000       8.807000 0.3827000       9.133000      0.3940000     -0.3261000      0.5493000
  1 1 1     -20  -12   14 o    4.781000      0.4233000       4.791000 0.5858000       4.771000      0.6112000      0.2012000E-01  0.8466000
  1 1 1     -20  -12   15 o    9.289000      0.2809000       9.586000 0.3879000       8.991000      0.4064000      0.5946000      0.5618000
  1 1 1     -20  -12   16 o    5.534000      0.3655000       5.252000 0.5212000       5.815000      0.5126000     -0.5629000      0.7310000
  1 1 1     -20  -12   17 o    11.79000      0.2783000       12.15000 0.3893000       11.43000      0.3978000      0.7191000      0.5566000
  1 1 1     -20  -12   18 o    12.19000      0.2811000       11.59000 0.3927000       12.79000      0.4021000      -1.193000      0.5621000
  1 1 1     -20  -12   19 o    5.842000      0.3979000       5.753000 0.5590000       5.930000      0.5663000     -0.1767000      0.7958000
  1 1 1     -20  -12   20 o    4.257000      0.5521000       4.452000 0.7472000       4.062000      0.8130000      0.3898000       1.104000
  1 1 1     -20  -12   21 o    8.925000      0.4638000       8.609000 0.6989000       9.240000      0.6100000     -0.6306000      0.9276000
  1 1 1     -20  -12   22 o    4.470000      0.5781000       5.572000 0.6411000       3.367000      0.9622000       2.204000       1.156000
  1 1 1     -20  -12   23 f    11.20000      0.3170000       10.77000 0.4471000       11.63000      0.4496000     -0.8661000      0.6340000
  1 1 1     -20  -12   24 o    2.753000      0.7818000       3.070000 1.113000       2.436000       1.099000      0.6348000       1.564000
  1 1 1     -20  -12   25 o    2.624000      0.6780000       1.996000 0.8883000       3.252000       1.025000      -1.256000       1.356000
  1 1 1     -20  -12   26 o    3.998000      0.6862000       4.200000 0.9290000       3.796000       1.010000      0.4039000       1.372000
  1 1 1     -20  -12   27 o    5.976000      0.4935000       6.493000 0.6132000       5.460000      0.7734000       1.033000      0.9870000
  1 1 1     -20  -12   28 o    2.192000      0.9358000       2.192000 0.9358000                  ?              ?              ?              ?
  1 1 1     -20  -12   29 o    4.283000      0.6297000       3.821000 0.9525000       4.745000      0.8238000     -0.9248000       1.259000
  1 1 1     -20  -12   30 o    5.236000      0.7343000                  ?       ?   5.236000      0.7343000                  ?              ?
  1 1 1     -20  -12   31 o    3.144000      0.6744000       2.685000 0.9857000       3.604000      0.9207000     -0.9192000       1.349000
  1 1 1     -20  -11    1 o    9.921000      0.3186000                  ?       ?   9.921000      0.3186000                  ?              ?
  1 1 1     -20  -11    2 o    4.844000      0.3195000       5.160000 0.4197000       4.529000      0.4818000      0.6313000      0.6390000
  1 1 1     -20  -11    3 o    2.711000      0.4798000       2.279000 0.7037000       3.142000      0.6524000     -0.8626000      0.9596000
  1 1 1     -20  -11    4 o    9.574000      0.3281000       9.915000 0.4706000       9.233000      0.4574000      0.6814000      0.6562000
  1 1 1     -20  -11    5 o    4.461000      0.3559000       4.088000 0.5279000       4.833000      0.4776000     -0.7451000      0.7119000
  1 1 1     -20  -11    6 o    2.576000      0.5237000       2.890000 0.7193000       2.263000      0.7615000      0.6278000       1.047000
  1 1 1     -20  -11    7 o    9.643000      0.3378000       9.383000 0.4654000       9.902000      0.4896000     -0.5189000      0.6755000
  1 1 1     -20  -11    8 o    6.266000      0.3013000       6.480000 0.4082000       6.052000      0.4432000      0.4282000      0.6026000
  1 1 1     -20  -11    9 o    5.866000      0.3090000       5.776000 0.4280000       5.956000      0.4458000     -0.1803000      0.6180000
  1 1 1     -20  -11   10 o    6.645000      0.2906000       6.761000 0.4092000       6.529000      0.4127000      0.2317000      0.5812000
  1 1 1     -20  -11   11 o    4.740000      0.4005000       4.525000 0.5815000       4.954000      0.5510000     -0.4296000      0.8011000
  1 1 1     -20  -11   12 o    12.75000      0.2651000       12.72000 0.3722000       12.78000      0.3777000     -0.6047000E-01  0.5302000
  1 1 1     -20  -11   13 o    11.67000      0.2637000       11.04000 0.3734000       12.29000      0.3725000      -1.252000      0.5275000
  1 1 1     -20  -11   14 o    2.234000      0.5877000       2.407000 0.8436000       2.061000      0.8185000      0.3466000       1.175000
  1 1 1     -20  -11   15 o    6.083000      0.3505000       5.630000 0.5267000       6.535000      0.4625000     -0.9049000      0.7010000
  1 1 1     -20  -11   16 o    5.201000      0.4134000       5.044000 0.5896000       5.358000      0.5798000     -0.3136000      0.8269000
  1 1 1     -20  -11   17 o    8.611000      0.2987000       8.379000 0.4209000       8.842000      0.4240000     -0.4632000      0.5975000
  1 1 1     -20  -11   18 o    14.32000      0.2882000       14.32000 0.4039000       14.32000      0.4113000     -0.4491000E-02  0.5764000
  1 1 1     -20  -11   19 o    2.155000      0.6047000       1.731000 0.7787000       2.579000      0.9253000     -0.8477000       1.209000
  1 1 1     -20  -11   20 f    6.062000      0.4083000       5.732000 0.5983000       6.392000      0.5557000     -0.6598000      0.8165000
  1 1 1     -20  -11   21 o    7.100000      0.5383000       6.919000 0.7964000       7.281000      0.7245000     -0.3619000       1.077000
  1 1 1     -20  -11   22 o    3.535000      0.6472000       3.966000 0.8458000       3.103000      0.9798000      0.8638000       1.294000
  1 1 1     -20  -11   23 o    1.660000      0.5516000       1.609000 0.7589000       1.711000      0.8007000     -0.1026000       1.103000
  1 1 1     -20  -11   24 o    5.347000      0.7232000       4.736000 1.062000       5.959000      0.9823000      -1.223000       1.446000
  1 1 1     -20  -11   25 o    4.160000      0.6429000       3.824000 0.9514000       4.496000      0.8651000     -0.6722000       1.286000
  1 1 1     -20  -11   26 o    3.369000      0.7172000       3.105000 1.009000       3.634000       1.019000     -0.5285000       1.434000
  1 1 1     -20  -11   27 o    4.827000      0.6020000       4.144000 0.9310000       5.510000      0.7636000      -1.366000       1.204000
  1 1 1     -20  -11   28 o    4.026000      0.6454000       5.437000 0.7223000       2.615000       1.070000       2.822000       1.291000
  1 1 1     -20  -11   29 f    5.009000      0.5843000       5.681000 0.7124000       4.338000      0.9262000       1.343000       1.169000
  1 1 1     -20  -11   30 o    1.987000      0.8873000                  ?       ?   1.987000      0.8873000                  ?              ?
  1 1 1     -20  -11   31 o    2.852000      0.6820000       3.394000 1.009000       2.311000      0.9179000       1.083000       1.364000
  1 1 1     -20  -11   32 o    4.609000      0.7019000       3.943000 1.211000       5.274000      0.7096000      -1.331000       1.404000
  1 1 1     -20  -10    1 o    7.038000      0.3362000                  ?       ?   7.038000      0.3362000                  ?              ?
  1 1 1     -20  -10    2 o    3.599000      0.3995000       3.801000 0.5185000       3.397000      0.6079000      0.4046000      0.7990000
  1 1 1     -20  -10    3 o    2.833000      0.4840000       2.378000 0.7356000       3.288000      0.6291000     -0.9104000      0.9680000
  1 1 1     -20  -10    4 o    4.288000      0.5035000       4.101000 0.7807000       4.475000      0.6359000     -0.3744000       1.007000
  1 1 1     -20  -10    5 o    8.396000      0.2879000       8.195000 0.3305000       8.597000      0.4715000     -0.4018000      0.5758000
  1 1 1     -20  -10    6 o    3.176000      0.4735000       2.716000 0.7214000       3.635000      0.6135000     -0.9190000      0.9470000
  1 1 1     -20  -10    7 o    3.333000      0.5813000       4.227000 0.7301000       2.438000      0.9048000       1.789000       1.163000
  1 1 1     -20  -10    8 o    12.81000      0.3546000       12.39000 0.4820000       13.23000      0.5203000     -0.8417000      0.7093000
  1 1 1     -20  -10    9 f    2.114000      0.5515000       2.075000 0.7668000       2.152000      0.7929000     -0.7635000E-01   1.103000
  1 1 1     -20  -10   10 o    11.05000      0.2511000       11.08000 0.3558000       11.02000      0.3544000      0.6155000E-01  0.5022000
  1 1 1     -20  -10   11 o    2.435000      0.5543000       2.709000 0.7831000       2.160000      0.7847000      0.5486000       1.109000
  1 1 1     -20  -10   12 f    7.907000      0.2832000       7.956000 0.4052000       7.858000      0.3957000      0.9759000E-01  0.5664000
  1 1 1     -20  -10   13 o    10.06000      0.2648000       9.841000 0.3777000       10.27000      0.3711000     -0.4328000      0.5295000
  1 1 1     -20  -10   14 o    2.629000      0.5290000       1.771000 0.7644000       3.487000      0.7315000      -1.717000       1.058000
  1 1 1     -20  -10   15 f    4.882000      0.4133000       4.824000 0.6020000       4.940000      0.5666000     -0.1167000      0.8267000
  1 1 1     -20  -10   16 o    3.351000      0.5763000       3.289000 0.8286000       3.413000      0.8012000     -0.1238000       1.153000
  1 1 1     -20  -10   17 f    11.05000      0.2784000       11.16000 0.3931000       10.94000      0.3943000      0.2249000      0.5568000
  1 1 1     -20  -10   18 o    5.567000      0.4096000       4.813000 0.6340000       6.321000      0.5188000      -1.509000      0.8192000
  1 1 1     -20  -10   19 o    4.560000      0.4791000       4.327000 0.7075000       4.793000      0.6461000     -0.4661000      0.9581000
  1 1 1     -20  -10   20 o    6.433000      0.3663000       6.351000 0.5348000       6.515000      0.5008000     -0.1641000      0.7327000
  1 1 1     -20  -10   21 o    3.260000      0.7462000       2.498000 1.056000       4.022000       1.055000      -1.525000       1.492000
  1 1 1     -20  -10   22 o    5.583000      0.4493000       5.438000 0.6411000       5.729000      0.6297000     -0.2910000      0.8986000
  1 1 1     -20  -10   23 o    7.985000      0.3594000       7.541000 0.5152000       8.429000      0.5013000     -0.8882000      0.7188000
  1 1 1     -20  -10   24 o    5.194000      0.7501000       4.933000 1.024000       5.455000       1.097000     -0.5225000       1.500000
  1 1 1     -20  -10   25 o    5.231000      0.5283000       5.022000 0.7605000       5.441000      0.7336000     -0.4188000       1.057000
  1 1 1     -20  -10   26 o    3.072000      0.7173000       2.804000 1.013000       3.340000       1.016000     -0.5359000       1.435000
  1 1 1     -20  -10   27 o    3.834000      0.6914000       4.448000 0.8773000       3.219000       1.069000       1.228000       1.383000
  1 1 1     -20  -10   28 o    8.414000      0.3832000       8.276000 0.5374000       8.553000      0.5465000     -0.2770000      0.7665000
  1 1 1     -20  -10   29 o    5.997000      0.4922000       6.119000 0.6705000       5.875000      0.7208000      0.2441000      0.9844000
  1 1 1     -20  -10   30 o    2.503000      0.6982000       2.346000 0.9770000       2.660000      0.9978000     -0.3141000       1.396000
  1 1 1     -20  -10   31 o    2.509000      0.6884000       2.776000 1.018000       2.241000      0.9271000      0.5346000       1.377000
  1 1 1     -20  -10   32 o    6.318000      0.4339000       6.318000 0.6279000       6.319000      0.5989000     -0.1225000E-02  0.8677000
  1 1 1     -20   -9    1 o    5.188000      0.2863000       5.473000 0.3821000       4.903000      0.4265000      0.5702000      0.5727000
  1 1 1     -20   -9    2 o    5.460000      0.2772000       5.366000 0.3989000       5.553000      0.3850000     -0.1868000      0.5544000
  1 1 1     -20   -9    3 o    7.492000      0.2389000       7.324000 0.3415000       7.661000      0.3343000     -0.3370000      0.4779000
  1 1 1     -20   -9    4 o    7.649000      0.3390000       7.641000 0.4861000       7.656000      0.4726000     -0.1523000E-01  0.6780000
  1 1 1     -20   -9    5 o    2.969000      0.5744000       2.280000 0.8534000       3.657000      0.7692000      -1.377000       1.149000
  1 1 1     -20   -9    6 o    7.006000      0.2589000       7.237000 0.3617000       6.776000      0.3706000      0.4618000      0.5179000
  1 1 1     -20   -9    7 o    13.82000      0.3578000       13.53000 0.4937000       14.10000      0.5180000     -0.5637000      0.7156000
  1 1 1     -20   -9    8 o    9.724000      0.3374000       8.904000 0.4741000       10.54000      0.4802000      -1.639000      0.6748000
  1 1 1     -20   -9    9 o    4.117000      0.4143000       3.778000 0.6298000       4.457000      0.5383000     -0.6790000      0.8285000
  1 1 1     -20   -9   10 o    8.597000      0.3313000       7.766000 0.5537000       9.427000      0.3641000      -1.661000      0.6627000
  1 1 1     -20   -9   11 o    8.444000      0.2632000       8.145000 0.3804000       8.744000      0.3640000     -0.5994000      0.5265000
  1 1 1     -20   -9   12 o    14.00000      0.2679000       13.74000 0.3765000       14.26000      0.3812000     -0.5279000      0.5358000
  1 1 1     -20   -9   13 o    12.32000      0.2617000       12.16000 0.3693000       12.48000      0.3710000     -0.3142000      0.5235000
  1 1 1     -20   -9   14 o    11.58000      0.2662000       11.56000 0.3752000       11.60000      0.3778000     -0.4116000E-01  0.5325000
  1 1 1     -20   -9   15 o    7.064000      0.3152000       6.741000 0.4593000       7.386000      0.4317000     -0.6458000      0.6303000
  1 1 1     -20   -9   16 o    9.839000      0.2781000       9.651000 0.3963000       10.03000      0.3903000     -0.3758000      0.5562000
  1 1 1     -20   -9   17 o    14.84000      0.2819000       14.51000 0.3943000       15.18000      0.4030000     -0.6665000      0.5638000
  1 1 1     -20   -9   18 o    4.572000      0.4644000       4.295000 0.6788000       4.848000      0.6340000     -0.5523000      0.9288000
  1 1 1     -20   -9   19 o    8.181000      0.3165000       8.839000 0.4236000       7.522000      0.4704000       1.317000      0.6330000
  1 1 1     -20   -9   20 f    10.01000      0.2999000       9.905000 0.4251000       10.12000      0.4230000     -0.2129000      0.5998000
  1 1 1     -20   -9   21 o    6.646000      0.5345000       6.780000 0.7780000       6.512000      0.7332000      0.2680000       1.069000
  1 1 1     -20   -9   22 o    5.760000      0.4752000       4.605000 0.7666000       6.914000      0.5618000      -2.310000      0.9504000
  1 1 1     -20   -9   23 f    8.923000      0.3417000       9.202000 0.4695000       8.643000      0.4966000      0.5594000      0.6834000
  1 1 1     -20   -9   24 o    5.490000      0.7111000       5.796000 0.9117000       5.185000       1.092000      0.6113000       1.422000
  1 1 1     -20   -9   25 o    6.339000      0.4548000       6.826000 0.5998000       5.852000      0.6837000      0.9738000      0.9096000
  1 1 1     -20   -9   26 o    2.866000      0.7191000       3.028000 1.019000       2.705000       1.015000      0.3228000       1.438000
  1 1 1     -20   -9   27 o    3.595000      0.7017000       2.928000 1.022000       4.263000      0.9619000      -1.336000       1.403000
  1 1 1     -20   -9   28 o    5.545000      0.5169000       6.165000 0.6307000       4.925000      0.8192000       1.240000       1.034000
  1 1 1     -20   -9   29 o    3.161000      0.7035000       2.807000 0.9969000       3.515000      0.9928000     -0.7072000       1.407000
  1 1 1     -20   -9   30 o    3.079000      0.6259000       4.173000 0.8911000       1.985000      0.8793000       2.188000       1.252000
  1 1 1     -20   -9   31 o    2.370000      0.6524000       1.885000 0.8633000       2.854000      0.9784000     -0.9695000       1.305000
  1 1 1     -20   -9   32 o    5.705000      0.4791000       5.573000 0.7025000       5.836000      0.6517000     -0.2629000      0.9582000
  1 1 1     -20   -8    1 o    3.172000      0.4261000       3.097000 0.5910000       3.246000      0.6138000     -0.1485000      0.8521000
  1 1 1     -20   -8    2 o    7.825000      0.2291000       7.550000 0.3278000       8.101000      0.3200000     -0.5501000      0.4581000
  1 1 1     -20   -8    3 o    2.268000      0.4970000       2.622000 0.6926000       1.914000      0.7129000      0.7078000      0.9939000
  1 1 1     -20   -8    4 o    4.065000      0.5096000       4.488000 0.6725000       3.642000      0.7659000      0.8456000       1.019000
  1 1 1     -20   -8    5 o    7.707000      0.3405000       8.262000 0.4782000       7.152000      0.4848000       1.110000      0.6810000
  1 1 1     -20   -8    6 o    8.098000      0.2452000       8.151000 0.3474000       8.044000      0.3461000      0.1078000      0.4904000
  1 1 1     -20   -8    7 o    7.054000      0.3118000       6.774000 0.3330000       7.334000      0.5272000     -0.5607000      0.6235000
  1 1 1     -20   -8    8 o    9.105000      0.3398000       8.565000 0.4793000       9.645000      0.4817000      -1.080000      0.6795000
  1 1 1     -20   -8    9 o    4.603000      0.3741000       5.047000 0.4825000       4.158000      0.5718000      0.8886000      0.7482000
  1 1 1     -20   -8   10 o    5.891000      0.3109000       5.981000 0.4468000       5.802000      0.4324000      0.1794000      0.6218000
  1 1 1     -20   -8   11 o    14.98000      0.2680000       14.67000 0.3787000       15.29000      0.3792000     -0.6154000      0.5360000
  1 1 1     -20   -8   12 o    7.429000      0.2889000       7.627000 0.4098000       7.231000      0.4073000      0.3954000      0.5778000
  1 1 1     -20   -8   13 f    10.10000      0.2628000       9.896000 0.3703000       10.31000      0.3730000     -0.4179000      0.5256000
  1 1 1     -20   -8   14 o    11.43000      0.2623000       11.76000 0.3689000       11.11000      0.3729000      0.6512000      0.5245000
  1 1 1     -20   -8   15 o    9.591000      0.2726000       9.743000 0.3838000       9.440000      0.3872000      0.3034000      0.5452000
  1 1 1     -20   -8   16 o    8.506000      0.2896000       8.399000 0.4090000       8.613000      0.4100000     -0.2136000      0.5791000
  1 1 1     -20   -8   17 o    9.980000      0.2737000       10.11000 0.3872000       9.853000      0.3870000      0.2532000      0.5475000
  1 1 1     -20   -8   18 o    2.701000      0.6138000       2.909000 0.8589000       2.493000      0.8769000      0.4160000       1.228000
  1 1 1     -20   -8   19 f    8.247000      0.3089000       8.273000 0.4349000       8.221000      0.4389000      0.5202000E-01  0.6179000
  1 1 1     -20   -8   20 o    6.120000      0.3878000       6.181000 0.5347000       6.059000      0.5619000      0.1216000      0.7757000
  1 1 1     -20   -8   21 o    6.780000      0.5202000       6.440000 0.7869000       7.119000      0.6806000     -0.6797000       1.040000
  1 1 1     -20   -8   22 o    9.963000      0.3056000       9.562000 0.4374000       10.36000      0.4268000     -0.8012000      0.6112000
  1 1 1     -20   -8   23 o    2.850000      0.6857000       3.018000 0.9573000       2.681000      0.9820000      0.3379000       1.371000
  1 1 1     -20   -8   24 o    10.12000      0.4544000       9.928000 0.6364000       10.31000      0.6488000     -0.3812000      0.9088000
  1 1 1     -20   -8   25 o    6.572000      0.4258000       6.392000 0.6228000       6.753000      0.5810000     -0.3609000      0.8517000
  1 1 1     -20   -8   26 o    4.151000      0.6405000       4.370000 0.8574000       3.932000      0.9519000      0.4380000       1.281000
  1 1 1     -20   -8   27 o    6.830000      0.4349000       7.109000 0.5848000       6.551000      0.6438000      0.5579000      0.8698000
  1 1 1     -20   -8   28 o    2.524000      0.6886000       2.741000 0.9930000       2.307000      0.9542000      0.4340000       1.377000
  1 1 1     -20   -8   29 o    4.588000      0.8360000       4.588000 0.8360000                  ?              ?              ?              ?
  1 1 1     -20   -8   30 o    3.331000      0.6918000       3.013000 1.009000       3.649000      0.9467000     -0.6365000       1.384000
  1 1 1     -20   -8   31 o    2.683000      0.6214000       1.757000 0.8049000       3.608000      0.9470000      -1.851000       1.243000
  1 1 1     -20   -8   32 o    3.098000      0.6399000       3.865000 0.8925000       2.330000      0.9173000       1.535000       1.280000
  1 1 1     -20   -7    1 o    9.649000      0.2188000       9.794000 0.3124000       9.505000      0.3065000      0.2891000      0.4376000
  1 1 1     -20   -7    2 o    6.157000      0.2387000       5.686000 0.3280000       6.629000      0.3468000     -0.9440000      0.4773000
  1 1 1     -20   -7    3 o    6.909000      0.2477000       6.606000 0.3567000       7.212000      0.3437000     -0.6062000      0.4953000
  1 1 1     -20   -7    4 o    6.473000      0.3654000       7.023000 0.5124000       5.923000      0.5212000       1.101000      0.7309000
  1 1 1     -20   -7    5 o    7.861000      0.3432000       8.528000 0.4809000       7.194000      0.4897000       1.334000      0.6864000
  1 1 1     -20   -7    6 o    10.07000      0.2353000       10.07000 0.3356000       10.07000      0.3300000      0.3662000E-03  0.4707000
  1 1 1     -20   -7    7 o    11.25000      0.3369000       11.51000 0.4706000       11.00000      0.4821000      0.5114000      0.6737000
  1 1 1     -20   -7    8 o    3.568000      0.5712000       2.709000 0.8882000       4.428000      0.7184000      -1.719000       1.142000
  1 1 1     -20   -7    9 o    4.446000      0.3768000       4.410000 0.5448000       4.481000      0.5206000     -0.7149000E-01  0.7535000
  1 1 1     -20   -7   10 o    8.543000      0.2559000       8.755000 0.3616000       8.331000      0.3623000      0.4243000      0.5119000
  1 1 1     -20   -7   11 o    11.78000      0.2537000       11.95000 0.3616000       11.61000      0.3560000      0.3403000      0.5074000
  1 1 1     -20   -7   12 o    16.09000      0.2805000       16.38000 0.4006000       15.80000      0.3927000      0.5808000      0.5610000
  1 1 1     -20   -7   13 o    13.00000      0.2662000       13.01000 0.3754000       12.99000      0.3775000      0.1680000E-01  0.5324000
  1 1 1     -20   -7   14 f    4.692000      0.4225000       4.419000 0.6343000       4.966000      0.5583000     -0.5469000      0.8450000
  1 1 1     -20   -7   15 o    10.57000      0.2646000       10.44000 0.3761000       10.70000      0.3724000     -0.2627000      0.5293000
  1 1 1     -20   -7   16 o    13.01000      0.2690000       13.14000 0.3813000       12.89000      0.3795000      0.2478000      0.5380000
  1 1 1     -20   -7   17 o    10.24000      0.2740000       10.01000 0.3895000       10.47000      0.3856000     -0.4604000      0.5481000
  1 1 1     -20   -7   18 o    4.562000      0.4524000       4.441000 0.6526000       4.684000      0.6266000     -0.2431000      0.9047000
  1 1 1     -20   -7   19 o    11.42000      0.2822000       11.01000 0.4008000       11.82000      0.3973000     -0.8116000      0.5643000
  1 1 1     -20   -7   20 o    4.841000      0.4745000       5.386000 0.5957000       4.297000      0.7388000       1.090000      0.9491000
  1 1 1     -20   -7   21 o    5.623000      0.6094000       5.839000 0.8699000       5.408000      0.8537000      0.4310000       1.219000
  1 1 1     -20   -7   22 o    5.851000      0.4216000       5.824000 0.5953000       5.878000      0.5972000     -0.5344000E-01  0.8432000
  1 1 1     -20   -7   23 o    6.096000      0.4069000       5.998000 0.5804000       6.194000      0.5705000     -0.1962000      0.8139000
  1 1 1     -20   -7   24 o    6.361000      0.6216000       5.904000 0.9210000       6.818000      0.8351000     -0.9140000       1.243000
  1 1 1     -20   -7   25 o    7.341000      0.3912000       7.949000 0.5347000       6.733000      0.5711000       1.216000      0.7823000
  1 1 1     -20   -7   26 o    9.453000      0.3399000       9.241000 0.4843000       9.665000      0.4771000     -0.4239000      0.6799000
  1 1 1     -20   -7   27 o    8.348000      0.3751000       7.983000 0.5377000       8.712000      0.5231000     -0.7293000      0.7502000
  1 1 1     -20   -7   28 o    2.965000      0.7115000       2.915000 0.9862000       3.015000       1.026000     -0.1009000       1.423000
  1 1 1     -20   -7   29 o    3.558000      0.9555000       3.558000 0.9555000                  ?              ?              ?              ?
  1 1 1     -20   -7   30 o    3.572000      0.6721000       3.547000 0.9688000       3.596000      0.9317000     -0.4875000E-01   1.344000
  1 1 1     -20   -7   31 o    2.404000      0.9258000                  ?       ?   2.404000      0.9258000                  ?              ?
  1 1 1     -20   -7   32 o    2.327000      0.6502000       2.364000 0.9361000       2.291000      0.9028000      0.7358000E-01   1.300000
  1 1 1     -20   -6    1 f    9.636000      0.2195000       9.688000 0.3119000       9.584000      0.3088000      0.1038000      0.4389000
  1 1 1     -20   -6    2 o    5.394000      0.3873000                  ?       ?   5.394000      0.3873000                  ?              ?
  1 1 1     -20   -6    3 o    8.721000      0.2257000       8.984000 0.3181000       8.458000      0.3204000      0.5260000      0.4515000
  1 1 1     -20   -6    4 o    3.441000      0.5579000       3.322000 0.8275000       3.560000      0.7486000     -0.2378000       1.116000
  1 1 1     -20   -6    5 o    6.524000      0.3463000       6.832000 0.4945000       6.216000      0.4851000      0.6155000      0.6927000
  1 1 1     -20   -6    6 o    9.714000      0.2342000       9.592000 0.3328000       9.835000      0.3296000     -0.2432000      0.4684000
  1 1 1     -20   -6    7 o    2.845000      0.6220000       3.080000 0.8512000       2.610000      0.9073000      0.4696000       1.244000
  1 1 1     -20   -6    8 o    6.406000      0.3791000       5.920000 0.5467000       6.891000      0.5253000     -0.9705000      0.7582000
  1 1 1     -20   -6    9 o    2.067000      0.5198000       2.483000 0.7696000       1.651000      0.6989000      0.8321000       1.040000
  1 1 1     -20   -6   10 o    12.91000      0.2517000       13.11000 0.3591000       12.71000      0.3529000      0.3961000      0.5035000
  1 1 1     -20   -6   11 o    5.233000      0.3357000       4.644000 0.5242000       5.822000      0.4195000      -1.178000      0.6714000
  1 1 1     -20   -6   12 o    8.065000      0.2806000       7.445000 0.4108000       8.685000      0.3824000      -1.240000      0.5612000
  1 1 1     -20   -6   13 o    3.847000      0.4775000       3.869000 0.6717000       3.825000      0.6788000      0.4370000E-01  0.9549000
  1 1 1     -20   -6   14 o    12.84000      0.2620000       12.90000 0.3723000       12.78000      0.3687000      0.1204000      0.5240000
  1 1 1     -20   -6   15 o    19.94000      0.3178000       20.66000 0.4592000       19.22000      0.4395000       1.445000      0.6356000
  1 1 1     -20   -6   16 o    7.477000      0.3022000       6.986000 0.4468000       7.967000      0.4070000     -0.9801000      0.6044000
  1 1 1     -20   -6   17 o    15.30000      0.2842000       15.68000 0.4044000       14.92000      0.3995000      0.7532000      0.5685000
  1 1 1     -20   -6   18 o    12.41000      0.2751000       12.35000 0.3903000       12.47000      0.3876000     -0.1224000      0.5501000
  1 1 1     -20   -6   19 o    12.67000      0.2789000       12.55000 0.3938000       12.78000      0.3949000     -0.2306000      0.5577000
  1 1 1     -20   -6   20 o    8.779000      0.3082000       8.424000 0.4418000       9.134000      0.4299000     -0.7096000      0.6164000
  1 1 1     -20   -6   21 o    9.803000      0.4217000       10.28000 0.5908000       9.322000      0.6018000      0.9611000      0.8433000
  1 1 1     -20   -6   22 f    5.801000      0.4154000       6.045000 0.5609000       5.557000      0.6128000      0.4881000      0.8307000
  1 1 1     -20   -6   23 o    5.593000      0.6286000       5.612000 0.8589000       5.574000      0.9179000      0.3781000E-01   1.257000
  1 1 1     -20   -6   24 o    3.401000      0.8269000       3.388000 1.125000       3.414000       1.212000     -0.2543000E-01   1.654000
  1 1 1     -20   -6   25 o    6.391000      0.4028000       6.705000 0.5521000       6.077000      0.5867000      0.6280000      0.8056000
  1 1 1     -20   -6   26 o    5.373000      0.4908000       5.001000 0.7319000       5.745000      0.6542000     -0.7442000      0.9817000
  1 1 1     -20   -6   27 o    6.533000      0.4219000       6.774000 0.5643000       6.291000      0.6274000      0.4832000      0.8438000
  1 1 1     -20   -6   28 o    3.806000      0.6250000       3.219000 0.9543000       4.394000      0.8072000      -1.175000       1.250000
  1 1 1     -20   -6   29 o    2.391000      0.6672000       2.435000 0.9640000       2.347000      0.9228000      0.8830000E-01   1.334000
  1 1 1     -20   -6   30 o    4.237000      0.5991000       4.410000 0.8224000       4.065000      0.8714000      0.3450000       1.198000
  1 1 1     -20   -6   31 o    3.483000      0.6458000       4.433000 0.8810000       2.533000      0.9445000       1.901000       1.292000
  1 1 1     -20   -6   32 o    3.198000      0.6963000       3.364000 1.005000       3.032000      0.9643000      0.3324000       1.393000
  1 1 1     -20   -5    1 o    7.768000      0.2268000       7.757000 0.3211000       7.779000      0.3203000     -0.2232000E-01  0.4535000
  1 1 1     -20   -5    2 o    9.741000      0.2686000       10.01000 0.4300000       9.477000      0.3221000      0.5287000      0.5372000
  1 1 1     -20   -5    3 o    4.401000      0.3335000       4.391000 0.4650000       4.410000      0.4783000     -0.1880000E-01  0.6670000
  1 1 1     -20   -5    4 o    2.351000      0.5941000       2.245000 0.8365000       2.456000      0.8439000     -0.2107000       1.188000
  1 1 1     -20   -5    5 o    6.706000      0.2502000       6.568000 0.3605000       6.845000      0.3470000     -0.2767000      0.5004000
  1 1 1     -20   -5    6 o    2.035000      0.5068000       2.422000 0.7371000       1.649000      0.6959000      0.7728000       1.014000
  1 1 1     -20   -5    7 o    4.832000      0.4610000       4.498000 0.6696000       5.166000      0.6337000     -0.6677000      0.9220000
  1 1 1     -20   -5    8 f    3.590000      0.5791000       4.107000 0.7538000       3.073000      0.8794000       1.033000       1.158000
  1 1 1     -20   -5    9 o    8.232000      0.2505000       7.952000 0.3582000       8.511000      0.3502000     -0.5597000      0.5010000
  1 1 1     -20   -5   10 o    10.05000      0.2470000       9.655000 0.3502000       10.44000      0.3486000     -0.7871000      0.4941000
  1 1 1     -20   -5   11 o    10.36000      0.2498000       10.68000 0.3564000       10.05000      0.3503000      0.6311000      0.4997000
  1 1 1     -20   -5   12 o    8.520000      0.2595000       8.800000 0.3640000       8.240000      0.3699000      0.5604000      0.5189000
  1 1 1     -20   -5   13 o    15.94000      0.2770000       16.30000 0.3971000       15.57000      0.3862000      0.7293000      0.5539000
  1 1 1     -20   -5   14 o    12.25000      0.2582000       12.24000 0.3660000       12.26000      0.3642000     -0.1673000E-01  0.5164000
  1 1 1     -20   -5   15 o    15.02000      0.2757000       15.41000 0.3947000       14.64000      0.3851000      0.7657000      0.5514000
  1 1 1     -20   -5   16 o    5.019000      0.3793000       5.053000 0.5453000       4.984000      0.5274000      0.6927000E-01  0.7586000
  1 1 1     -20   -5   17 o    3.264000      0.5466000       2.794000 0.8144000       3.735000      0.7292000     -0.9410000       1.093000
  1 1 1     -20   -5   18 o    12.82000      0.2719000       13.45000 0.3865000       12.19000      0.3827000       1.259000      0.5439000
  1 1 1     -20   -5   19 o    10.67000      0.2831000       10.88000 0.3999000       10.46000      0.4008000      0.4135000      0.5662000
  1 1 1     -20   -5   20 o    7.782000      0.4251000       7.778000 0.6292000       7.785000      0.5717000     -0.7648000E-02  0.8501000
  1 1 1     -20   -5   21 o    9.611000      0.4190000       9.520000 0.6152000       9.701000      0.5689000     -0.1813000      0.8379000
  1 1 1     -20   -5   22 o    4.775000      0.4733000       4.810000 0.6577000       4.741000      0.6808000      0.6880000E-01  0.9466000
  1 1 1     -20   -5   23 o    4.527000      0.7731000       4.576000 1.040000       4.479000       1.145000      0.9713000E-01   1.546000
  1 1 1     -20   -5   24 o    1.632000      0.5402000       1.781000 0.8090000       1.483000      0.7162000      0.2979000       1.080000
  1 1 1     -20   -5   25 o    3.013000      0.6891000       3.135000 0.9758000       2.891000      0.9732000      0.2440000       1.378000
  1 1 1     -20   -5   26 o    3.756000      0.5941000       2.394000 0.9499000       5.117000      0.7138000      -2.723000       1.188000
  1 1 1     -20   -5   27 o    5.014000      0.5112000       5.609000 0.6476000       4.420000      0.7910000       1.189000       1.022000
  1 1 1     -20   -5   28 o    5.449000      0.4762000       5.690000 0.6296000       5.208000      0.7145000      0.4820000      0.9523000
  1 1 1     -20   -5   29 o    2.975000      0.6811000       3.335000 0.9726000       2.615000      0.9536000      0.7206000       1.362000
  1 1 1     -20   -5   30 f    2.396000      0.6494000       1.965000 0.8654000       2.827000      0.9685000     -0.8623000       1.299000
  1 1 1     -20   -5   31 o    3.534000      0.6394000       4.350000 0.8380000       2.719000      0.9659000       1.631000       1.279000
  1 1 1     -20   -4    1 o    5.209000      0.2708000       5.083000 0.3789000       5.335000      0.3870000     -0.2520000      0.5416000
  1 1 1     -20   -4    2 o    7.897000      0.2282000       7.876000 0.3182000       7.918000      0.3272000     -0.4156000E-01  0.4564000
  1 1 1     -20   -4    3 o    7.535000      0.2349000       7.589000 0.3322000       7.481000      0.3322000      0.1074000      0.4698000
  1 1 1     -20   -4    4 o    6.342000      0.3584000       6.222000 0.5298000       6.462000      0.4828000     -0.2403000      0.7168000
  1 1 1     -20   -4    5 o    9.112000      0.2298000       8.948000 0.3232000       9.275000      0.3267000     -0.3271000      0.4595000
  1 1 1     -20   -4    6 o    7.603000      0.2408000       7.743000 0.3375000       7.463000      0.3436000      0.2800000      0.4816000
  1 1 1     -20   -4    7 o    6.552000      0.3743000       6.753000 0.5073000       6.350000      0.5506000      0.4026000      0.7487000
  1 1 1     -20   -4    8 o    5.618000      0.2987000       6.060000 0.4048000       5.176000      0.4394000      0.8843000      0.5974000
  1 1 1     -20   -4    9 o    6.458000      0.2707000       6.509000 0.3825000       6.406000      0.3832000      0.1025000      0.5414000
  1 1 1     -20   -4   10 o    10.12000      0.2441000       9.577000 0.3465000       10.67000      0.3440000      -1.089000      0.4883000
  1 1 1     -20   -4   11 o    6.437000      0.2922000       6.369000 0.4310000       6.504000      0.3946000     -0.1354000      0.5844000
  1 1 1     -20   -4   12 o    4.604000      0.3773000       4.627000 0.5474000       4.581000      0.5193000      0.4551000E-01  0.7545000
  1 1 1     -20   -4   13 o    6.431000      0.3047000       6.791000 0.4241000       6.071000      0.4377000      0.7197000      0.6095000
  1 1 1     -20   -4   14 o    13.51000      0.2639000       13.72000 0.3754000       13.31000      0.3709000      0.4027000      0.5277000
  1 1 1     -20   -4   15 o    7.247000      0.2881000       7.344000 0.4189000       7.150000      0.3957000      0.1936000      0.5762000
  1 1 1     -20   -4   16 o    7.715000      0.2892000       8.258000 0.3916000       7.173000      0.4256000       1.084000      0.5783000
  1 1 1     -20   -4   17 o    12.11000      0.2684000       11.84000 0.3793000       12.38000      0.3797000     -0.5363000      0.5367000
  1 1 1     -20   -4   18 o    9.534000      0.2812000       9.306000 0.4013000       9.761000      0.3940000     -0.4552000      0.5624000
  1 1 1     -20   -4   19 o    8.664000      0.2903000       8.719000 0.4146000       8.610000      0.4065000      0.1090000      0.5806000
  1 1 1     -20   -4   20 o    2.969000      0.7351000       2.951000 1.057000       2.986000       1.022000     -0.3527000E-01   1.470000
  1 1 1     -20   -4   21 o    16.24000      0.3014000       15.93000 0.4264000       16.54000      0.4263000     -0.6091000      0.6029000
  1 1 1     -20   -4   22 o    2.018000      0.5776000       1.569000 0.7323000       2.466000      0.8935000     -0.8969000       1.155000
  1 1 1     -20   -4   23 o    10.44000      0.4409000       10.04000 0.6076000       10.84000      0.6391000     -0.8075000      0.8819000
  1 1 1     -20   -4   24 o    4.887000      0.4913000       5.142000 0.6530000       4.631000      0.7342000      0.5117000      0.9825000
  1 1 1     -20   -4   25 o    4.835000      0.5109000       5.149000 0.6816000       4.522000      0.7612000      0.6273000       1.022000
  1 1 1     -20   -4   26 f    8.204000      0.3513000       9.069000 0.4652000       7.339000      0.5266000       1.729000      0.7027000
  1 1 1     -20   -4   27 o    3.840000      0.6191000       3.535000 0.9226000       4.145000      0.8258000     -0.6105000       1.238000
  1 1 1     -20   -4   28 o    4.966000      0.5290000       5.128000 0.7202000       4.803000      0.7751000      0.3249000       1.058000
  1 1 1     -20   -4   29 o    3.006000      0.6405000       3.694000 0.9019000       2.318000      0.9096000       1.376000       1.281000
  1 1 1     -20   -4   30 o    2.258000      0.6244000       2.872000 0.9820000       1.644000      0.7714000       1.228000       1.249000
  1 1 1     -20   -4   31 o    4.135000      0.5831000       4.248000 0.8169000       4.022000      0.8322000      0.2257000       1.166000
  1 1 1     -20   -3    1 o    5.854000      0.2559000       6.048000 0.3429000       5.660000      0.3799000      0.3881000      0.5118000
  1 1 1     -20   -3    2 o    8.169000      0.2232000       8.069000 0.3149000       8.268000      0.3165000     -0.1989000      0.4464000
  1 1 1     -20   -3    3 o    5.684000      0.3792000       5.237000 0.5782000       6.130000      0.4910000     -0.8932000      0.7585000
  1 1 1     -20   -3    4 o    5.829000      0.3486000       5.884000 0.4930000       5.775000      0.4930000      0.1089000      0.6972000
  1 1 1     -20   -3    5 o    2.969000      0.4492000       2.386000 0.7085000       3.552000      0.5522000      -1.166000      0.8983000
  1 1 1     -20   -3    6 o    5.430000      0.4465000       6.271000 0.5214000       4.590000      0.7249000       1.682000      0.8929000
  1 1 1     -20   -3    7 o    6.533000      0.3883000       6.053000 0.5664000       7.013000      0.5314000     -0.9596000      0.7767000
  1 1 1     -20   -3    8 o    3.391000      0.4410000       3.332000 0.6458000       3.450000      0.6006000     -0.1182000      0.8820000
  1 1 1     -20   -3    9 o    2.943000      0.4889000       2.957000 0.6991000       2.929000      0.6835000      0.2798000E-01  0.9777000
  1 1 1     -20   -3   10 o    6.559000      0.2780000       6.307000 0.3997000       6.811000      0.3866000     -0.5040000      0.5561000
  1 1 1     -20   -3   11 f    5.656000      0.3226000       5.980000 0.4347000       5.333000      0.4768000      0.6464000      0.6452000
  1 1 1     -20   -3   12 o    10.24000      0.2504000       10.30000 0.3571000       10.17000      0.3510000      0.1310000      0.5007000
  1 1 1     -20   -3   13 o    8.186000      0.3438000       8.767000 0.3674000       7.605000      0.5812000       1.163000      0.6876000
  1 1 1     -20   -3   14 o    12.33000      0.2573000       12.13000 0.3629000       12.53000      0.3649000     -0.4006000      0.5146000
  1 1 1     -20   -3   15 o    11.60000      0.2582000       11.53000 0.3652000       11.68000      0.3652000     -0.1533000      0.5165000
  1 1 1     -20   -3   16 o    5.503000      0.3439000       5.453000 0.4947000       5.554000      0.4778000     -0.1006000      0.6878000
  1 1 1     -20   -3   17 o    16.40000      0.2876000       16.34000 0.4050000       16.47000      0.4085000     -0.1367000      0.5752000
  1 1 1     -20   -3   18 o    6.202000      0.3471000       6.899000 0.4419000       5.505000      0.5354000       1.394000      0.6942000
  1 1 1     -20   -3   19 o    2.269000      0.5977000       2.621000 0.8771000       1.918000      0.8121000      0.7027000       1.195000
  1 1 1     -20   -3   20 o    9.244000      0.3985000       9.382000 0.5719000       9.107000      0.5550000      0.2748000      0.7969000
  1 1 1     -20   -3   21 o    16.38000      0.3633000       16.05000 0.5856000       16.72000      0.4300000     -0.6786000      0.7265000
  1 1 1     -20   -3   22 o    3.673000      0.7441000       2.898000 1.071000       4.449000       1.033000      -1.550000       1.488000
  1 1 1     -20   -3   24 o    7.337000      0.3568000       6.848000 0.5242000       7.827000      0.4843000     -0.9792000      0.7137000
  1 1 1     -20   -3   25 o    5.055000      0.4844000       4.717000 0.7157000       5.393000      0.6529000     -0.6759000      0.9688000
  1 1 1     -20   -3   26 o    10.66000      0.3135000       10.70000 0.4409000       10.62000      0.4458000      0.7322000E-01  0.6270000
  1 1 1     -20   -3   27 o    4.776000      0.5207000       4.718000 0.7519000       4.833000      0.7206000     -0.1142000       1.041000
  1 1 1     -20   -3   28 o    2.642000      0.5987000       3.515000 0.8838000       1.769000      0.8080000       1.746000       1.197000
  1 1 1     -20   -3   29 o    5.761000      0.4514000       5.510000 0.6622000       6.012000      0.6135000     -0.5021000      0.9027000
  1 1 1     -20   -3   30 o    3.936000      0.8205000       3.936000 0.8205000                  ?              ?              ?              ?
  1 1 1     -20   -3   31 o    4.015000      0.6194000       3.624000 0.9427000       4.406000      0.8036000     -0.7822000       1.239000
  1 1 1     -20   -2    1 o    9.336000      0.3043000       9.336000 0.3043000                  ?              ?              ?              ?
  1 1 1     -20   -2    2 o    14.22000      0.2449000       14.06000 0.3442000       14.38000      0.3486000     -0.3166000      0.4899000
  1 1 1     -20   -2    3 o    3.380000      0.7362000                  ?       ?   3.380000      0.7362000                  ?              ?
  1 1 1     -20   -2    4 o    10.82000      0.2310000       10.87000 0.3267000       10.78000      0.3267000      0.9142000E-01  0.4620000
  1 1 1     -20   -2    5 o    1.788000      0.4747000       1.425000 0.6351000       2.150000      0.7058000     -0.7247000      0.9495000
  1 1 1     -20   -2    6 o    5.029000      0.4234000       5.234000 0.5658000       4.824000      0.6301000      0.4102000      0.8468000
  1 1 1     -20   -2    7 o    9.411000      0.2373000       9.346000 0.3342000       9.475000      0.3371000     -0.1283000      0.4747000
  1 1 1     -20   -2    8 o    2.453000      0.5038000       2.015000 0.7305000       2.891000      0.6940000     -0.8760000       1.008000
  1 1 1     -20   -2    9 o    4.762000      0.3350000       4.410000 0.4804000       5.113000      0.4671000     -0.7028000      0.6700000
  1 1 1     -20   -2   10 o    3.970000      0.4093000       4.802000 0.4670000       3.137000      0.6723000       1.666000      0.8186000
  1 1 1     -20   -2   11 o    4.990000      0.3267000       5.110000 0.4477000       4.870000      0.4760000      0.2397000      0.6534000
  1 1 1     -20   -2   12 o    11.76000      0.2483000       11.62000 0.3494000       11.90000      0.3529000     -0.2794000      0.4966000
  1 1 1     -20   -2   13 o    7.744000      0.2701000       7.647000 0.3854000       7.841000      0.3785000     -0.1939000      0.5402000
  1 1 1     -20   -2   14 o    7.734000      0.2678000       7.998000 0.3657000       7.470000      0.3913000      0.5286000      0.5356000
  1 1 1     -20   -2   15 o    4.503000      0.4093000       4.850000 0.5262000       4.156000      0.6270000      0.6938000      0.8185000
  1 1 1     -20   -2   16 o    3.091000      0.5211000       3.728000 0.6592000       2.453000      0.8072000       1.275000       1.042000
  1 1 1     -20   -2   17 o    19.32000      0.3138000       18.97000 0.4396000       19.67000      0.4478000     -0.6989000      0.6275000
  1 1 1     -20   -2   18 o    7.952000      0.2901000       8.306000 0.4033000       7.598000      0.4170000      0.7089000      0.5801000
  1 1 1     -20   -2   19 f    8.977000      0.3835000       8.570000 0.5577000       9.384000      0.5267000     -0.8145000      0.7671000
  1 1 1     -20   -2   20 f    3.584000      0.5372000       3.369000 0.7777000       3.800000      0.7412000     -0.4310000       1.074000
  1 1 1     -20   -2   21 o    8.554000      0.3132000       9.078000 0.4250000       8.029000      0.4601000       1.049000      0.6263000
  1 1 1     -20   -2   22 o    5.444000      0.6276000       5.249000 0.9059000       5.639000      0.8689000     -0.3899000       1.255000
  1 1 1     -20   -2   23 o    3.581000      0.6053000       2.850000 0.9380000       4.312000      0.7652000      -1.463000       1.211000
  1 1 1     -20   -2   24 o    3.804000      0.5986000       4.369000 0.7697000       3.238000      0.9169000       1.131000       1.197000
  1 1 1     -20   -2   25 o    9.009000      0.3227000       8.922000 0.4603000       9.095000      0.4525000     -0.1725000      0.6455000
  1 1 1     -20   -2   26 o    11.81000      0.3073000       11.92000 0.4289000       11.70000      0.4402000      0.2206000      0.6146000
  1 1 1     -20   -2   27 o    2.656000      0.6663000       2.748000 0.9450000       2.564000      0.9396000      0.1843000       1.333000
  1 1 1     -20   -2   28 o    6.297000      0.4087000       5.999000 0.6289000       6.596000      0.5221000     -0.5968000      0.8174000
  1 1 1     -20   -2   29 o    3.016000      0.6753000       2.832000 0.9539000       3.201000      0.9562000     -0.3692000       1.351000
  1 1 1     -20   -2   30 o    3.000000      0.9638000       3.000000 0.9638000                  ?              ?              ?              ?
  1 1 1     -20   -2   31 o    2.545000      0.6271000       3.157000 0.9461000       1.932000      0.8234000       1.225000       1.254000
  1 1 1     -20   -1    1 o    8.605000      0.3077000       8.605000 0.3077000                  ?              ?              ?              ?
  1 1 1     -20   -1    2 o    20.30000      0.4304000       19.94000 0.6015000       20.65000      0.6159000     -0.7115000      0.8608000
  1 1 1     -20   -1    3 o    10.17000      0.4461000                  ?       ?   10.17000      0.4461000                  ?              ?
  1 1 1     -20   -1    4 f    11.71000      0.2325000       11.76000 0.3286000       11.66000      0.3289000      0.1052000      0.4649000
  1 1 1     -20   -1    5 o    3.877000      0.5125000       4.689000 0.5885000       3.065000      0.8392000       1.624000       1.025000
  1 1 1     -20   -1    6 o    9.224000      0.3286000       9.280000 0.4637000       9.169000      0.4656000      0.1112000      0.6571000
  1 1 1     -20   -1    7 o    2.592000      0.4874000       2.601000 0.6759000       2.582000      0.7025000      0.1959000E-01  0.9748000
  1 1 1     -20   -1    8 o    7.902000      0.2460000       8.221000 0.3456000       7.584000      0.3502000      0.6367000      0.4920000
  1 1 1     -20   -1    9 f    8.994000      0.2434000       9.127000 0.3385000       8.861000      0.3498000      0.2666000      0.4868000
  1 1 1     -20   -1   10 o    7.271000      0.2694000       7.460000 0.3808000       7.082000      0.3811000      0.3788000      0.5387000
  1 1 1     -20   -1   11 o    5.621000      0.2935000       5.525000 0.4267000       5.717000      0.4032000     -0.1914000      0.5871000
  1 1 1     -20   -1   12 o    2.696000      0.5146000       2.405000 0.7695000       2.988000      0.6835000     -0.5822000       1.029000
  1 1 1     -20   -1   13 o    8.922000      0.2518000       9.170000 0.3528000       8.675000      0.3595000      0.4948000      0.5037000
  1 1 1     -20   -1   14 o    6.386000      0.3026000       6.359000 0.4312000       6.412000      0.4246000     -0.5239000E-01  0.6052000
  1 1 1     -20   -1   15 o    9.713000      0.2577000       9.387000 0.3640000       10.04000      0.3649000     -0.6516000      0.5154000
  1 1 1     -20   -1   16 o    7.305000      0.3041000       6.762000 0.4476000       7.847000      0.4119000      -1.085000      0.6083000
  1 1 1     -20   -1   17 o    17.02000      0.2941000       17.22000 0.4188000       16.83000      0.4129000      0.3952000      0.5881000
  1 1 1     -20   -1   18 o    9.729000      0.3356000       9.378000 0.4072000       10.08000      0.5336000     -0.7023000      0.6712000
  1 1 1     -20   -1   19 o    10.54000      0.3879000       10.88000 0.5593000       10.20000      0.5375000      0.6771000      0.7757000
  1 1 1     -20   -1   20 o    1.893000      0.5587000       1.692000 0.7433000       2.094000      0.8344000     -0.4013000       1.117000
  1 1 1     -20   -1   21 o    3.451000      0.7758000       3.794000 1.089000       3.108000       1.105000      0.6860000       1.552000
  1 1 1     -20   -1   22 o    6.720000      0.5390000       6.998000 0.7347000       6.441000      0.7888000      0.5567000       1.078000
  1 1 1     -20   -1   23 o    2.082000      0.6005000       1.697000 0.7794000       2.467000      0.9138000     -0.7704000       1.201000
  1 1 1     -20   -1   24 o    2.270000      0.6037000       1.874000 0.8141000       2.666000      0.8917000     -0.7919000       1.207000
  1 1 1     -20   -1   25 o    8.153000      0.3234000       7.981000 0.4618000       8.325000      0.4529000     -0.3442000      0.6468000
  1 1 1     -20   -1   26 o    4.734000      0.5453000       4.974000 0.7211000       4.493000      0.8183000      0.4807000       1.091000
  1 1 1     -20   -1   27 o    4.623000      0.5687000       4.970000 0.7641000       4.276000      0.8426000      0.6936000       1.137000
  1 1 1     -20   -1   28 o    6.571000      0.3911000       6.105000 0.5926000       7.037000      0.5107000     -0.9327000      0.7823000
  1 1 1     -20   -1   29 o    4.199000      0.5548000       4.816000 0.6954000       3.583000      0.8646000       1.233000       1.110000
  1 1 1     -20   -1   30 o    4.917000      0.5144000       4.562000 0.7434000       5.273000      0.7111000     -0.7118000       1.029000
  1 1 1     -20   -1   31 o    2.947000      0.8020000       2.922000 1.155000       2.971000       1.113000     -0.4939000E-01   1.604000
  1 1 1     -20    0    1 o    10.13000      0.3049000       10.73000 0.4271000       9.529000      0.4353000       1.205000      0.6098000
  1 1 1     -20    0    2 o    11.56000      0.3147000       11.47000 0.4476000       11.64000      0.4424000     -0.1689000      0.6293000
  1 1 1     -20    0    3 o    6.163000      0.2510000       6.614000 0.3327000       5.712000      0.3760000      0.9019000      0.5021000
  1 1 1     -20    0    4 o    7.292000      0.2825000       6.862000 0.3047000       7.722000      0.4757000     -0.8601000      0.5649000
  1 1 1     -20    0    5 f    5.356000      0.4243000       5.092000 0.6218000       5.620000      0.5775000     -0.5287000      0.8486000
  1 1 1     -20    0    6 o    4.476000      0.3157000       4.253000 0.4652000       4.699000      0.4268000     -0.4465000      0.6313000
  1 1 1     -20    0    7 o    8.037000      0.2478000       7.476000 0.3594000       8.598000      0.3413000      -1.123000      0.4956000
  1 1 1     -20    0    8 f    6.625000      0.2564000       6.662000 0.3607000       6.588000      0.3644000      0.7381000E-01  0.5127000
  1 1 1     -20    0    9 o    11.21000      0.2377000       11.35000 0.3417000       11.08000      0.3305000      0.2680000      0.4754000
  1 1 1     -20    0   10 o    9.928000      0.2443000       10.15000 0.3487000       9.711000      0.3422000      0.4348000      0.4886000
  1 1 1     -20    0   11 o    7.435000      0.2672000       7.414000 0.3795000       7.457000      0.3763000     -0.4347000E-01  0.5345000
  1 1 1     -20    0   12 o    4.552000      0.3405000       4.456000 0.4833000       4.647000      0.4797000     -0.1909000      0.6809000
  1 1 1     -20    0   13 o    2.976000      0.5327000       2.939000 0.7655000       3.013000      0.7410000     -0.7392000E-01   1.065000
  1 1 1     -20    0   14 o    5.278000      0.3434000       5.138000 0.5011000       5.418000      0.4697000     -0.2801000      0.6868000
  1 1 1     -20    0   15 o    2.015000      0.5337000       2.125000 0.7606000       1.904000      0.7490000      0.2208000       1.067000
  1 1 1     -20    0   16 o    4.225000      0.4175000       4.045000 0.6201000       4.405000      0.5593000     -0.3600000      0.8351000
  1 1 1     -20    0   17 o    7.823000      0.2847000       7.717000 0.4064000       7.929000      0.3987000     -0.2119000      0.5693000
  1 1 1     -20    0   18 o    8.468000      0.3982000       8.860000 0.5719000       8.076000      0.5543000      0.7836000      0.7965000
  1 1 1     -20    0   19 o    6.131000      0.3617000       6.110000 0.5178000       6.152000      0.5050000     -0.4124000E-01  0.7233000
  1 1 1     -20    0   20 o    4.992000      0.4073000       4.996000 0.5574000       4.988000      0.5940000      0.8002000E-02  0.8145000
  1 1 1     -20    0   21 o    6.466000      0.5586000       6.768000 0.7261000       6.164000      0.8491000      0.6040000       1.117000
  1 1 1     -20    0   22 o    5.672000      0.4127000       5.408000 0.5999000       5.937000      0.5670000     -0.5282000      0.8255000
  1 1 1     -20    0   23 o    4.940000      0.4459000       5.012000 0.6121000       4.869000      0.6484000      0.1430000      0.8917000
  1 1 1     -20    0   24 o    5.478000      0.4445000       5.374000 0.6339000       5.582000      0.6234000     -0.2080000      0.8890000
  1 1 1     -20    0   25 o    4.277000      0.5397000       4.714000 0.7101000       3.840000      0.8131000      0.8741000       1.079000
  1 1 1     -20    0   26 o    3.054000      0.5659000       2.017000 0.8399000       4.092000      0.7587000      -2.075000       1.132000
  1 1 1     -20    0   27 o    10.91000      0.3022000       10.36000 0.4506000       11.45000      0.4027000      -1.097000      0.6043000
  1 1 1     -20    0   28 o    7.423000      0.3705000       7.513000 0.5234000       7.333000      0.5245000      0.1799000      0.7410000
  1 1 1     -20    0   29 o    4.997000      0.5064000       5.288000 0.6746000       4.706000      0.7553000      0.5826000       1.013000
  1 1 1     -20    0   30 o    2.168000      0.6228000       2.096000 0.8683000       2.240000      0.8930000     -0.1443000       1.246000
  1 1 1     -20    1    1 o    4.146000      0.4928000       3.411000 0.6948000       4.881000      0.6991000      -1.470000      0.9857000
  1 1 1     -20    1    2 o    9.437000      0.2800000       9.951000 0.3032000       8.923000      0.4708000       1.027000      0.5600000
  1 1 1     -20    1    3 o    8.552000      0.2247000       8.398000 0.3084000       8.706000      0.3269000     -0.3082000      0.4494000
  1 1 1     -20    1    4 o    5.316000      0.4322000       4.697000 0.6538000       5.934000      0.5653000      -1.237000      0.8643000
  1 1 1     -20    1    5 o    5.378000      0.2780000       5.625000 0.3734000       5.131000      0.4121000      0.4937000      0.5561000
  1 1 1     -20    1    6 o    3.993000      0.3378000       3.753000 0.4983000       4.233000      0.4563000     -0.4799000      0.6757000
  1 1 1     -20    1    7 o    6.009000      0.2695000       5.901000 0.3778000       6.117000      0.3846000     -0.2159000      0.5391000
  1 1 1     -20    1    8 o    6.098000      0.2737000       6.048000 0.3860000       6.148000      0.3880000     -0.1004000      0.5473000
  1 1 1     -20    1    9 o    7.542000      0.2554000       7.882000 0.3510000       7.202000      0.3711000      0.6804000      0.5108000
  1 1 1     -20    1   10 o    7.475000      0.2444000       7.461000 0.3469000       7.488000      0.3445000     -0.2621000E-01  0.4889000
  1 1 1     -20    1   11 o    9.420000      0.2470000       9.216000 0.3563000       9.623000      0.3424000     -0.4066000      0.4941000
  1 1 1     -20    1   12 o    9.472000      0.2457000       9.465000 0.3468000       9.480000      0.3480000     -0.1503000E-01  0.4913000
  1 1 1     -20    1   13 o    2.914000      0.5172000       2.604000 0.7764000       3.224000      0.6835000     -0.6205000       1.034000
  1 1 1     -20    1   14 o    14.26000      0.2628000       14.61000 0.3762000       13.91000      0.3669000      0.6963000      0.5255000
  1 1 1     -20    1   15 o    10.23000      0.2632000       9.715000 0.3796000       10.75000      0.3647000      -1.034000      0.5264000
  1 1 1     -20    1   16 o    5.401000      0.3563000       5.178000 0.5240000       5.624000      0.4830000     -0.4465000      0.7126000
  1 1 1     -20    1   17 o    8.925000      0.3639000       8.988000 0.5169000       8.862000      0.5125000      0.1264000      0.7279000
  1 1 1     -20    1   18 o    8.552000      0.3722000       8.835000 0.5364000       8.270000      0.5161000      0.5647000      0.7443000
  1 1 1     -20    1   19 o    8.341000      0.2872000       8.297000 0.4122000       8.384000      0.4002000     -0.8752000E-01  0.5745000
  1 1 1     -20    1   20 o    7.098000      0.4846000       7.631000 0.6431000       6.565000      0.7252000       1.065000      0.9693000
  1 1 1     -20    1   21 o    3.576000      0.5386000       3.506000 0.7518000       3.645000      0.7714000     -0.1384000       1.077000
  1 1 1     -20    1   22 o    4.828000      0.4693000       4.516000 0.7005000       5.140000      0.6248000     -0.6242000      0.9386000
  1 1 1     -20    1   23 o    9.529000      0.3161000       9.397000 0.4480000       9.661000      0.4460000     -0.2647000      0.6321000
  1 1 1     -20    1   24 o    2.114000      0.6074000       1.821000 0.8094000       2.406000      0.9059000     -0.5844000       1.215000
  1 1 1     -20    1   25 o    4.336000      0.5374000       5.186000 0.6185000       3.487000      0.8791000       1.698000       1.075000
  1 1 1     -20    1   26 o    2.415000      0.6530000       2.596000 0.9514000       2.235000      0.8945000      0.3616000       1.306000
  1 1 1     -20    1   27 o    4.844000      0.5005000       4.760000 0.7431000       4.927000      0.6706000     -0.1668000       1.001000
  1 1 1     -20    1   28 o    3.458000      0.6249000       3.729000 0.8899000       3.188000      0.8776000      0.5413000       1.250000
  1 1 1     -20    1   29 o    4.416000      0.5097000       4.766000 0.6348000       4.066000      0.7978000      0.6991000       1.019000
  1 1 1     -20    1   30 o    2.724000      0.6660000       3.290000 0.8961000       2.157000      0.9855000       1.132000       1.332000
  1 1 1     -20    2    1 o    9.534000      0.2279000       9.730000 0.3011000       9.338000      0.3422000      0.3929000      0.4558000
  1 1 1     -20    2    2 o    6.911000      0.3113000       6.911000 0.3113000                  ?              ?              ?              ?
  1 1 1     -20    2    3 o    4.912000      0.4594000       5.665000 0.5383000       4.160000      0.7447000       1.505000      0.9189000
  1 1 1     -20    2    4 o    6.645000      0.4021000                  ?       ?   6.645000      0.4021000                  ?              ?
  1 1 1     -20    2    5 o    9.265000      0.2391000       9.214000 0.3272000       9.317000      0.3489000     -0.1035000      0.4783000
  1 1 1     -20    2    6 o    8.986000      0.2375000       8.755000 0.3247000       9.216000      0.3468000     -0.4613000      0.4751000
  1 1 1     -20    2    7 o    8.534000      0.2885000       8.338000 0.3401000       8.731000      0.4662000     -0.3933000      0.5771000
  1 1 1     -20    2    8 o    6.385000      0.2608000       6.515000 0.3624000       6.254000      0.3751000      0.2606000      0.5216000
  1 1 1     -20    2    9 o    9.949000      0.2438000       9.903000 0.3429000       9.995000      0.3467000     -0.9132000E-01  0.4877000
  1 1 1     -20    2   10 o    5.831000      0.2939000       6.385000 0.3921000       5.276000      0.4378000       1.109000      0.5877000
  1 1 1     -20    2   11 o    4.246000      0.3742000       4.600000 0.4843000       3.891000      0.5705000      0.7083000      0.7484000
  1 1 1     -20    2   12 o    12.20000      0.2509000       12.01000 0.3541000       12.38000      0.3555000     -0.3707000      0.5017000
  1 1 1     -20    2   13 o    4.092000      0.3752000       4.197000 0.5251000       3.986000      0.5360000      0.2110000      0.7503000
  1 1 1     -20    2   14 f    7.772000      0.2692000       7.773000 0.3707000       7.770000      0.3905000      0.2606000E-02  0.5384000
  1 1 1     -20    2   15 o    9.373000      0.2661000       9.317000 0.3749000       9.430000      0.3777000     -0.1132000      0.5322000
  1 1 1     -20    2   16 o    8.379000      0.2647000       8.319000 0.3696000       8.439000      0.3789000     -0.1205000      0.5293000
  1 1 1     -20    2   17 o    6.479000      0.4357000       6.147000 0.6433000       6.811000      0.5878000     -0.6636000      0.8714000
  1 1 1     -20    2   18 o    5.136000      0.3585000       4.856000 0.5308000       5.416000      0.4820000     -0.5601000      0.7170000
  1 1 1     -20    2   19 o    5.426000      0.5363000       5.366000 0.7646000       5.486000      0.7522000     -0.1205000       1.073000
  1 1 1     -20    2   20 o    3.387000      0.7691000       2.760000 1.067000       4.014000       1.108000      -1.254000       1.538000
  1 1 1     -20    2   21 o    2.169000      0.5745000       2.779000 0.8937000       1.559000      0.7222000       1.220000       1.149000
  1 1 1     -20    2   22 o    2.156000      0.5883000       2.654000 0.9044000       1.658000      0.7527000      0.9961000       1.177000
  1 1 1     -20    2   23 o    2.827000      0.6282000       3.343000 0.8874000       2.312000      0.8894000       1.031000       1.256000
  1 1 1     -20    2   24 o    6.640000      0.3661000       6.808000 0.5082000       6.472000      0.5270000      0.3368000      0.7321000
  1 1 1     -20    2   25 o    4.239000      0.5645000       4.778000 0.7334000       3.701000      0.8583000       1.077000       1.129000
  1 1 1     -20    2   26 o    4.980000      0.4846000       5.391000 0.6559000       4.568000      0.7137000      0.8232000      0.9693000
  1 1 1     -20    2   27 o    2.955000      0.6642000       2.916000 0.9690000       2.994000      0.9085000     -0.7755000E-01   1.328000
  1 1 1     -20    2   28 o    1.822000      0.5721000       1.794000 0.8046000       1.850000      0.8134000     -0.5607000E-01   1.144000
  1 1 1     -20    2   29 o    3.474000      0.6453000       3.504000 0.9146000       3.443000      0.9105000      0.6070000E-01   1.291000
  1 1 1     -20    3    1 o    13.98000      0.2474000       14.28000 0.3393000       13.67000      0.3601000      0.6120000      0.4947000
  1 1 1     -20    3    2 o    7.235000      0.4409000       7.235000 0.4409000                  ?              ?              ?              ?
  1 1 1     -20    3    3 o    13.30000      0.2490000       13.71000 0.3411000       12.88000      0.3629000      0.8238000      0.4981000
  1 1 1     -20    3    4 o    9.294000      0.3637000                  ?       ?   9.294000      0.3637000                  ?              ?
  1 1 1     -20    3    5 o    10.74000      0.2412000       10.82000 0.3281000       10.66000      0.3536000      0.1544000      0.4824000
  1 1 1     -20    3    6 o    8.598000      0.2478000       8.324000 0.3401000       8.872000      0.3605000     -0.5479000      0.4956000
  1 1 1     -20    3    7 o    10.84000      0.2458000       11.06000 0.3358000       10.61000      0.3591000      0.4535000      0.4916000
  1 1 1     -20    3    8 o    13.40000      0.2580000       12.94000 0.3502000       13.85000      0.3789000     -0.9129000      0.5160000
  1 1 1     -20    3    9 o    10.98000      0.2518000       10.99000 0.3411000       10.98000      0.3704000      0.1313000E-01  0.5035000
  1 1 1     -20    3   10 o    10.84000      0.2500000       10.76000 0.3402000       10.92000      0.3664000     -0.1662000      0.4999000
  1 1 1     -20    3   11 o    7.033000      0.2812000       7.252000 0.3680000       6.815000      0.4254000      0.4371000      0.5625000
  1 1 1     -20    3   12 o    5.915000      0.3196000       5.915000 0.4347000       5.915000      0.4687000     -0.4768000E-04  0.6393000
  1 1 1     -20    3   13 o    7.434000      0.2920000       7.317000 0.3846000       7.551000      0.4396000     -0.2344000      0.5841000
  1 1 1     -20    3   14 o    4.987000      0.4558000       5.518000 0.4349000       4.455000      0.8011000       1.063000      0.9115000
  1 1 1     -20    3   15 o    3.013000      0.5443000       2.673000 0.8338000       3.353000      0.6997000     -0.6803000       1.089000
  1 1 1     -20    3   16 o    2.343000      0.5951000       1.800000 0.7912000       2.887000      0.8892000      -1.087000       1.190000
  1 1 1     -20    3   17 f    7.417000      0.3036000       7.786000 0.4157000       7.048000      0.4427000      0.7375000      0.6073000
  1 1 1     -20    3   18 o    7.509000      0.3131000       7.386000 0.4542000       7.633000      0.4310000     -0.2466000      0.6262000
  1 1 1     -20    3   19 o    6.100000      0.5466000       6.713000 0.7007000       5.486000      0.8392000       1.227000       1.093000
  1 1 1     -20    3   20 o    9.042000      0.2916000       9.244000 0.4157000       8.841000      0.4091000      0.4026000      0.5832000
  1 1 1     -20    3   21 o    3.076000      0.6050000       3.294000 0.8525000       2.859000      0.8588000      0.4344000       1.210000
  1 1 1     -20    3   22 o    6.791000      0.3566000       6.725000 0.5246000       6.858000      0.4830000     -0.1325000      0.7131000
  1 1 1     -20    3   23 o    7.670000      0.3406000       8.039000 0.4692000       7.301000      0.4937000      0.7374000      0.6811000
  1 1 1     -20    3   24 o    9.709000      0.3080000       9.783000 0.4363000       9.635000      0.4349000      0.1484000      0.6160000
  1 1 1     -20    3   25 o    6.975000      0.3414000       6.973000 0.5015000       6.977000      0.4635000     -0.3515000E-02  0.6829000
  1 1 1     -20    3   26 o    6.072000      0.3736000       5.883000 0.5439000       6.261000      0.5124000     -0.3780000      0.7472000
  1 1 1     -20    3   27 o    1.973000      0.5606000       2.435000 0.8729000       1.511000      0.7038000      0.9241000       1.121000
  1 1 1     -20    3   28 f    3.259000      0.5948000       3.406000 0.8414000       3.113000      0.8411000      0.2926000       1.190000
  1 1 1     -20    3   29 o    3.527000      0.6056000       3.422000 0.8657000       3.632000      0.8472000     -0.2108000       1.211000
  1 1 1     -20    4    1 o    16.84000      0.3856000       17.15000 0.5411000       16.53000      0.5494000      0.6207000      0.7711000
  1 1 1     -20    4    2 o    8.219000      0.2408000       8.113000 0.3100000       8.325000      0.3685000     -0.2124000      0.4816000
  1 1 1     -20    4    3 o    5.002000      0.3080000       5.220000 0.3694000       4.784000      0.4928000      0.4357000      0.6159000
  1 1 1     -20    4    4 o    10.68000      0.2382000       10.53000 0.3220000       10.84000      0.3510000     -0.3037000      0.4763000
  1 1 1     -20    4    5 o    7.893000      0.2501000       8.357000 0.3242000       7.429000      0.3809000      0.9272000      0.5002000
  1 1 1     -20    4    6 o    4.561000      0.3310000       4.653000 0.4296000       4.470000      0.5036000      0.1829000      0.6620000
  1 1 1     -20    4    7 o    6.207000      0.2795000       6.149000 0.3760000       6.265000      0.4137000     -0.1155000      0.5590000
  1 1 1     -20    4    8 o    6.217000      0.2889000       6.286000 0.3704000       6.148000      0.4436000      0.1376000      0.5779000
  1 1 1     -20    4    9 o    15.01000      0.2681000       14.89000 0.3660000       15.13000      0.3919000     -0.2410000      0.5362000
  1 1 1     -20    4   10 o    6.427000      0.2933000       6.298000 0.4040000       6.557000      0.4253000     -0.2590000      0.5867000
  1 1 1     -20    4   11 o    13.16000      0.2642000       12.99000 0.3618000       13.33000      0.3852000     -0.3398000      0.5284000
  1 1 1     -20    4   12 o    12.28000      0.2660000       12.56000 0.3588000       12.00000      0.3928000      0.5660000      0.5320000
  1 1 1     -20    4   13 f    8.274000      0.2842000       8.541000 0.3621000       8.007000      0.4380000      0.5347000      0.5683000
  1 1 1     -20    4   14 o    6.681000      0.3314000       7.302000 0.4060000       6.061000      0.5238000       1.241000      0.6627000
  1 1 1     -20    4   15 o    5.168000      0.5798000       5.174000 0.6781000       5.163000      0.9406000      0.1124000E-01   1.160000
  1 1 1     -20    4   16 o    9.067000      0.2921000       8.855000 0.3920000       9.279000      0.4332000     -0.4242000      0.5842000
  1 1 1     -20    4   17 o    12.05000      0.2863000       12.07000 0.3824000       12.02000      0.4262000      0.5717000E-01  0.5726000
  1 1 1     -20    4   18 o    6.340000      0.4932000       6.650000 0.6539000       6.030000      0.7386000      0.6205000      0.9865000
  1 1 1     -20    4   19 o    4.342000      0.5246000       4.728000 0.6017000       3.955000      0.8595000      0.7735000       1.049000
  1 1 1     -20    4   20 o    3.994000      0.5879000       3.836000 0.7706000       4.152000      0.8880000     -0.3160000       1.176000
  1 1 1     -20    4   21 o    2.395000      0.6534000       1.963000 0.8467000       2.828000      0.9955000     -0.8652000       1.307000
  1 1 1     -20    4   22 o    2.362000      0.6214000       2.792000 0.8895000       1.933000      0.8681000      0.8591000       1.243000
  1 1 1     -20    4   23 o    3.459000      0.6476000       3.295000 0.8614000       3.623000      0.9673000     -0.3278000       1.295000
  1 1 1     -20    4   24 o    9.076000      0.3300000       9.460000 0.4400000       8.693000      0.4921000      0.7669000      0.6601000
  1 1 1     -20    4   25 o    6.800000      0.3942000       7.600000 0.4855000       6.000000      0.6212000       1.600000      0.7884000
  1 1 1     -20    4   26 o    4.748000      0.5098000       4.174000 0.7608000       5.323000      0.6789000      -1.149000       1.020000
  1 1 1     -20    4   27 o    4.276000      0.5384000       4.771000 0.7019000       3.781000      0.8166000      0.9900000       1.077000
  1 1 1     -20    4   28 f    3.082000      0.6397000       2.908000 0.9193000       3.257000      0.8899000     -0.3494000       1.279000
  1 1 1     -20    5    1 o    8.930000      0.2346000       8.566000 0.3080000       9.294000      0.3540000     -0.7275000      0.4693000
  1 1 1     -20    5    2 o    5.021000      0.3124000       4.528000 0.4167000       5.515000      0.4655000     -0.9870000      0.6247000
  1 1 1     -20    5    3 o    9.333000      0.2382000       9.251000 0.3121000       9.415000      0.3599000     -0.1635000      0.4764000
  1 1 1     -20    5    4 o    12.76000      0.2464000       12.74000 0.3339000       12.79000      0.3623000     -0.5144000E-01  0.4927000
  1 1 1     -20    5    5 o    9.080000      0.2434000       8.847000 0.3262000       9.313000      0.3614000     -0.4660000      0.4868000
  1 1 1     -20    5    6 o    3.981000      0.3749000       3.716000 0.5129000       4.246000      0.5468000     -0.5291000      0.7497000
  1 1 1     -20    5    7 o    7.659000      0.2566000       7.544000 0.3494000       7.774000      0.3759000     -0.2295000      0.5132000
  1 1 1     -20    5    8 o    8.615000      0.2597000       8.628000 0.3467000       8.603000      0.3868000      0.2496000E-01  0.5194000
  1 1 1     -20    5    9 o    11.71000      0.2572000       11.50000 0.3467000       11.93000      0.3801000     -0.4274000      0.5144000
  1 1 1     -20    5   10 o    6.115000      0.3175000       6.204000 0.4217000       6.027000      0.4748000      0.1767000      0.6351000
  1 1 1     -20    5   11 o    10.25000      0.2656000       10.22000 0.3527000       10.28000      0.3973000     -0.5866000E-01  0.5313000
  1 1 1     -20    5   12 o    4.553000      0.4294000       4.431000 0.5554000       4.674000      0.6551000     -0.2430000      0.8589000
  1 1 1     -20    5   13 o    5.315000      0.3992000       5.480000 0.4868000       5.151000      0.6329000      0.3291000      0.7985000
  1 1 1     -20    5   14 o    6.471000      0.4854000       5.926000 0.6536000       7.016000      0.7178000      -1.090000      0.9708000
  1 1 1     -20    5   15 o    5.024000      0.4165000       4.746000 0.5629000       5.302000      0.6140000     -0.5560000      0.8330000
  1 1 1     -20    5   16 o    17.50000      0.3114000       17.11000 0.4259000       17.89000      0.4543000     -0.7769000      0.6227000
  1 1 1     -20    5   17 f    4.296000      0.7199000       4.729000 0.9515000       3.862000       1.081000      0.8668000       1.440000
  1 1 1     -20    5   18 o    8.684000      0.3295000       8.464000 0.4375000       8.904000      0.4928000     -0.4401000      0.6590000
  1 1 1     -20    5   19 o    9.998000      0.3092000       9.792000 0.4088000       10.20000      0.4641000     -0.4114000      0.6184000
  1 1 1     -20    5   20 o    3.249000      0.6623000       3.022000 0.9107000       3.477000      0.9619000     -0.4550000       1.325000
  1 1 1     -20    5   21 o    2.588000      0.6622000       2.462000 0.8785000       2.713000      0.9910000     -0.2511000       1.324000
  1 1 1     -20    5   22 o    7.915000      0.3507000       7.870000 0.4550000       7.961000      0.5338000     -0.9181000E-01  0.7014000
  1 1 1     -20    5   23 o    6.125000      0.4240000       5.789000 0.5892000       6.460000      0.6099000     -0.6710000      0.8480000
  1 1 1     -20    5   24 o    8.366000      0.3452000       8.483000 0.4662000       8.249000      0.5093000      0.2343000      0.6905000
  1 1 1     -20    5   25 o    3.622000      0.5912000       2.726000 0.8842000       4.518000      0.7852000      -1.792000       1.182000
  1 1 1     -20    5   26 o    4.354000      0.5160000       4.448000 0.6953000       4.260000      0.7626000      0.1878000       1.032000
  1 1 1     -20    5   27 o    2.398000      0.5845000       3.104000 0.8811000       1.692000      0.7682000       1.412000       1.169000
  1 1 1     -20    5   28 o    1.662000      0.5343000       1.874000 0.8143000       1.451000      0.6921000      0.4236000       1.069000
  1 1 1     -20    6    1 o    9.389000      0.2321000       9.191000 0.3068000       9.587000      0.3483000     -0.3962000      0.4642000
  1 1 1     -20    6    2 o    7.115000      0.2581000       7.049000 0.3257000       7.181000      0.4004000     -0.1330000      0.5161000
  1 1 1     -20    6    3 o    3.816000      0.4597000       4.130000 0.4546000       3.501000      0.7991000      0.6293000      0.9194000
  1 1 1     -20    6    4 o    10.51000      0.2375000       10.46000 0.3177000       10.55000      0.3530000     -0.9087000E-01  0.4749000
  1 1 1     -20    6    5 f    6.045000      0.3189000       5.584000 0.4682000       6.505000      0.4331000     -0.9212000      0.6379000
  1 1 1     -20    6    6 o    1.958000      0.5191000       2.151000 0.7301000       1.765000      0.7382000      0.3853000       1.038000
  1 1 1     -20    6    7 o    7.960000      0.2610000       7.750000 0.3535000       8.171000      0.3842000     -0.4201000      0.5221000
  1 1 1     -20    6    8 o    6.550000      0.2974000       6.039000 0.3993000       7.061000      0.4408000      -1.022000      0.5948000
  1 1 1     -20    6    9 o    5.495000      0.3342000       5.190000 0.4256000       5.801000      0.5154000     -0.6109000      0.6683000
  1 1 1     -20    6   10 o    14.83000      0.2748000       14.99000 0.3772000       14.66000      0.3997000      0.3357000      0.5496000
  1 1 1     -20    6   11 o    7.202000      0.2942000       7.312000 0.3724000       7.092000      0.4556000      0.2199000      0.5884000
  1 1 1     -20    6   12 o    11.15000      0.2724000       11.13000 0.3602000       11.17000      0.4086000     -0.4191000E-01  0.5448000
  1 1 1     -20    6   13 o    8.516000      0.4359000       8.746000 0.5224000       8.287000      0.6979000      0.4588000      0.8718000
  1 1 1     -20    6   14 o    8.223000      0.2933000       8.655000 0.3813000       7.790000      0.4458000      0.8649000      0.5866000
  1 1 1     -20    6   15 o    7.331000      0.3162000       6.965000 0.4245000       7.697000      0.4688000     -0.7324000      0.6324000
  1 1 1     -20    6   16 o    4.967000      0.5901000       4.474000 0.8861000       5.461000      0.7794000     -0.9878000       1.180000
  1 1 1     -20    6   17 o    6.283000      0.3655000       5.869000 0.4935000       6.697000      0.5392000     -0.8289000      0.7309000
  1 1 1     -20    6   18 o    8.746000      0.3165000       8.798000 0.4168000       8.694000      0.4765000      0.1038000      0.6331000
  1 1 1     -20    6   19 o    7.009000      0.3655000       6.743000 0.4933000       7.276000      0.5394000     -0.5327000      0.7309000
  1 1 1     -20    6   20 o    3.638000      0.5753000       4.762000 0.6493000       2.514000      0.9498000       2.248000       1.151000
  1 1 1     -20    6   21 o    2.197000      0.6232000       2.373000 0.8865000       2.021000      0.8762000      0.3524000       1.246000
  1 1 1     -20    6   22 o    2.391000      0.6467000       2.224000 0.8845000       2.559000      0.9437000     -0.3344000       1.293000
  1 1 1     -20    6   23 o    4.598000      0.5241000       4.455000 0.6681000       4.740000      0.8077000     -0.2844000       1.048000
  1 1 1     -20    6   24 o    3.419000      0.6362000       2.857000 0.9275000       3.981000      0.8710000      -1.124000       1.272000
  1 1 1     -20    6   25 o    3.321000      0.6432000       3.051000 0.9272000       3.590000      0.8917000     -0.5397000       1.286000
  1 1 1     -20    6   26 o    2.186000      0.6056000       2.501000 0.9004000       1.871000      0.8101000      0.6299000       1.211000
  1 1 1     -20    6   27 o    1.849000      0.5524000       1.303000 0.6334000       2.396000      0.9053000      -1.093000       1.105000
  1 1 1     -20    7    1 o    8.787000      0.2496000       8.666000 0.3447000       8.909000      0.3611000     -0.2433000      0.4992000
  1 1 1     -20    7    2 o    7.691000      0.2653000       7.531000 0.3655000       7.851000      0.3846000     -0.3201000      0.5305000
  1 1 1     -20    7    3 o    6.224000      0.4171000       6.224000 0.4171000                  ?              ?              ?              ?
  1 1 1     -20    7    4 o    2.674000      0.4898000       3.245000 0.5725000       2.102000      0.7949000       1.143000      0.9796000
  1 1 1     -20    7    5 o    12.43000      0.3683000                  ?       ?   12.43000      0.3683000                  ?              ?
  1 1 1     -20    7    6 o    8.039000      0.2634000       8.053000 0.3410000       8.025000      0.4014000      0.2765000E-01  0.5267000
  1 1 1     -20    7    7 o    7.565000      0.3182000       7.812000 0.4864000       7.319000      0.4102000      0.4932000      0.6363000
  1 1 1     -20    7    8 f    6.437000      0.2890000       6.293000 0.3756000       6.582000      0.4393000     -0.2889000      0.5780000
  1 1 1     -20    7    9 o    3.450000      0.5035000       3.446000 0.6386000       3.454000      0.7787000     -0.8008000E-02   1.007000
  1 1 1     -20    7   10 o    13.50000      0.2683000       13.45000 0.3634000       13.55000      0.3950000     -0.9793000E-01  0.5367000
  1 1 1     -20    7   11 o    7.870000      0.3317000       8.380000 0.5049000       7.359000      0.4304000       1.021000      0.6635000
  1 1 1     -20    7   12 o    3.637000      0.6404000       4.700000 0.7393000       2.574000       1.046000       2.126000       1.281000
  1 1 1     -20    7   13 o    10.56000      0.2744000       10.59000 0.3604000       10.53000      0.4138000      0.6092000E-01  0.5488000
  1 1 1     -20    7   14 o    6.250000      0.3622000       6.131000 0.4718000       6.368000      0.5498000     -0.2368000      0.7244000
  1 1 1     -20    7   15 o    3.598000      0.7106000       3.753000 0.9931000       3.442000       1.017000      0.3115000       1.421000
  1 1 1     -20    7   16 o    4.602000      0.4664000       4.748000 0.5293000       4.456000      0.7680000      0.2920000      0.9328000
  1 1 1     -20    7   17 o    5.971000      0.3801000       6.153000 0.4688000       5.788000      0.5984000      0.3654000      0.7601000
  1 1 1     -20    7   18 o    3.002000      0.6371000       2.635000 0.8783000       3.370000      0.9233000     -0.7348000       1.274000
  1 1 1     -20    7   19 o    3.157000      0.6412000       3.158000 0.8589000       3.156000      0.9524000      0.1302000E-02   1.282000
  1 1 1     -20    7   20 o    3.764000      0.6140000       3.762000 0.8000000       3.765000      0.9316000     -0.2678000E-02   1.228000
  1 1 1     -20    7   21 o    3.576000      0.6144000       2.904000 0.8870000       4.249000      0.8504000      -1.345000       1.229000
  1 1 1     -20    7   22 o    4.974000      0.4895000       5.430000 0.5380000       4.519000      0.8179000      0.9110000      0.9790000
  1 1 1     -20    7   23 o    2.827000      0.6694000       2.485000 0.9119000       3.169000      0.9803000     -0.6838000       1.339000
  1 1 1     -20    7   24 o    2.433000      0.6483000       2.552000 0.9065000       2.314000      0.9271000      0.2380000       1.297000
  1 1 1     -20    7   25 o    2.307000      0.6002000       2.909000 0.9161000       1.705000      0.7757000       1.204000       1.200000
  1 1 1     -20    7   26 o    2.597000      0.6552000       2.702000 0.9296000       2.493000      0.9236000      0.2088000       1.310000
  1 1 1     -20    8    1 o    10.48000      0.2472000       10.39000 0.3491000       10.57000      0.3501000     -0.1783000      0.4944000
  1 1 1     -20    8    2 o    9.021000      0.2582000       9.258000 0.3641000       8.783000      0.3662000      0.4747000      0.5164000
  1 1 1     -20    8    3 o    12.50000      0.2592000       12.45000 0.3670000       12.56000      0.3661000     -0.1086000      0.5184000
  1 1 1     -20    8    4 o    16.13000      0.2822000       16.22000 0.4008000       16.05000      0.3973000      0.1672000      0.5644000
  1 1 1     -20    8    5 o    13.59000      0.2665000       13.33000 0.3773000       13.86000      0.3765000     -0.5362000      0.5330000
  1 1 1     -20    8    6 o    4.457000      0.4023000       4.286000 0.5675000       4.627000      0.5704000     -0.3409000      0.8046000
  1 1 1     -20    8    7 o    9.072000      0.2658000       9.385000 0.3412000       8.760000      0.4077000      0.6243000      0.5316000
  1 1 1     -20    8    8 f    7.351000      0.2845000       7.533000 0.3599000       7.170000      0.4408000      0.3627000      0.5691000
  1 1 1     -20    8    9 o    1.650000      0.5062000       1.279000 0.6001000       2.021000      0.8154000     -0.7427000       1.012000
  1 1 1     -20    8   10 o    7.385000      0.4301000       7.483000 0.4907000       7.288000      0.7066000      0.1949000      0.8603000
  1 1 1     -20    8   11 o    7.564000      0.4316000       7.749000 0.5040000       7.379000      0.7009000      0.3700000      0.8633000
  1 1 1     -20    8   12 o    12.97000      0.2711000       12.92000 0.3663000       13.01000      0.3996000     -0.9296000E-01  0.5421000
  1 1 1     -20    8   13 o    3.511000      0.6247000       3.742000 0.9039000       3.280000      0.8626000      0.4619000       1.249000
  1 1 1     -20    8   14 o    1.926000      0.6083000       2.135000 0.8988000       1.718000      0.8198000      0.4173000       1.217000
  1 1 1     -20    8   15 o    4.291000      0.5026000       4.448000 0.5954000       4.134000      0.8100000      0.3138000       1.005000
  1 1 1     -20    8   16 o    7.130000      0.3382000       6.854000 0.4486000       7.406000      0.5063000     -0.5511000      0.6765000
  1 1 1     -20    8   17 o    6.369000      0.3612000       6.638000 0.4407000       6.100000      0.5723000      0.5378000      0.7223000
  1 1 1     -20    8   18 o    3.189000      0.6106000       3.828000 0.7586000       2.550000      0.9570000       1.277000       1.221000
  1 1 1     -20    8   19 o    3.321000      0.6438000       3.451000 0.8451000       3.190000      0.9714000      0.2608000       1.288000
  1 1 1     -20    8   20 o    4.432000      0.5433000       4.118000 0.7359000       4.747000      0.7993000     -0.6289000       1.087000
  1 1 1     -20    8   21 o    6.353000      0.4098000       6.758000 0.5046000       5.947000      0.6460000      0.8104000      0.8197000
  1 1 1     -20    8   22 o    4.600000      0.5292000       4.549000 0.6730000       4.652000      0.8170000     -0.1031000       1.058000
  1 1 1     -20    8   23 o    3.063000      0.6606000       3.448000 0.8775000       2.679000      0.9876000      0.7689000       1.321000
  1 1 1     -20    8   24 o    2.129000      0.5718000       2.901000 0.9287000       1.357000      0.6674000       1.545000       1.144000
  1 1 1     -20    8   25 o    2.291000      0.6181000       1.749000 0.7938000       2.833000      0.9475000      -1.084000       1.236000
  1 1 1     -20    8   26 o    2.502000      0.6716000       2.475000 0.9486000       2.529000      0.9510000     -0.5381000E-01   1.343000
  1 1 1     -20    9    1 o    3.467000      0.4641000       3.017000 0.6927000       3.917000      0.6177000     -0.9001000      0.9281000
  1 1 1     -20    9    2 o    11.47000      0.2870000       11.69000 0.4443000       11.24000      0.3633000      0.4480000      0.5739000
  1 1 1     -20    9    3 o    15.13000      0.2751000       15.01000 0.3906000       15.25000      0.3874000     -0.2366000      0.5501000
  1 1 1     -20    9    4 o    15.26000      0.2784000       15.37000 0.3952000       15.16000      0.3922000      0.2146000      0.5567000
  1 1 1     -20    9    5 o    12.57000      0.2670000       12.67000 0.3777000       12.48000      0.3774000      0.1859000      0.5339000
  1 1 1     -20    9    6 o    7.657000      0.2912000       7.669000 0.4154000       7.644000      0.4083000      0.2457000E-01  0.5825000
  1 1 1     -20    9    7 o    4.866000      0.4244000       5.610000 0.5134000       4.122000      0.6758000       1.488000      0.8487000
  1 1 1     -20    9    8 o    11.48000      0.2768000       11.52000 0.3860000       11.43000      0.3968000      0.8540000E-01  0.5536000
  1 1 1     -20    9    9 o    8.783000      0.3938000       9.209000 0.4564000       8.358000      0.6420000      0.8507000      0.7877000
  1 1 1     -20    9   10 o    6.497000      0.3225000       6.660000 0.4001000       6.334000      0.5059000      0.3261000      0.6450000
  1 1 1     -20    9   11 o    6.620000      0.3315000       6.935000 0.4191000       6.306000      0.5138000      0.6283000      0.6631000
  1 1 1     -20    9   12 o    6.480000      0.4964000       7.227000 0.6331000       5.732000      0.7647000       1.495000      0.9928000
  1 1 1     -20    9   13 o    7.583000      0.4607000       8.005000 0.5788000       7.161000      0.7170000      0.8446000      0.9214000
  1 1 1     -20    9   14 o    4.290000      0.4893000       4.455000 0.5678000       4.125000      0.7969000      0.3303000      0.9785000
  1 1 1     -20    9   15 o    3.426000      0.5911000       3.611000 0.7046000       3.241000      0.9493000      0.3704000       1.182000
  1 1 1     -20    9   16 o    11.26000      0.2883000       11.51000 0.3783000       11.01000      0.4353000      0.4957000      0.5767000
  1 1 1     -20    9   17 o    6.095000      0.4128000       6.410000 0.4967000       5.781000      0.6596000      0.6287000      0.8257000
  1 1 1     -20    9   18 o    3.266000      0.6536000       3.300000 0.8743000       3.233000      0.9718000      0.6771000E-01   1.307000
  1 1 1     -20    9   19 o    2.398000      0.6524000       2.390000 0.8766000       2.407000      0.9664000     -0.1634000E-01   1.305000
  1 1 1     -20    9   20 f    5.933000      0.4475000       6.165000 0.5451000       5.700000      0.7098000      0.4651000      0.8949000
  1 1 1     -20    9   21 o    2.801000      0.6449000       3.202000 0.8670000       2.401000      0.9550000      0.8007000       1.290000
  1 1 1     -20    9   22 o    6.534000      0.3987000       6.630000 0.5259000       6.437000      0.5994000      0.1928000      0.7974000
  1 1 1     -20    9   23 o    5.956000      0.3938000       5.600000 0.5481000       6.313000      0.5656000     -0.7134000      0.7876000
  1 1 1     -20    9   24 o    3.802000      0.5994000       4.107000 0.7773000       3.496000      0.9126000      0.6112000       1.199000
  1 1 1     -20    9   25 o    3.890000      0.5853000       3.425000 0.8809000       4.356000      0.7710000     -0.9305000       1.171000
  1 1 1     -20   10    1 o    2.820000      0.5419000       2.881000 0.7384000       2.759000      0.7933000      0.1213000       1.084000
  1 1 1     -20   10    2 o    2.802000      0.5535000       2.494000 0.7790000       3.110000      0.7866000     -0.6164000       1.107000
  1 1 1     -20   10    3 o    10.27000      0.2633000       10.28000 0.3688000       10.25000      0.3759000      0.3510000E-01  0.5266000
  1 1 1     -20   10    4 o    11.88000      0.3895000       11.88000 0.3895000                  ?              ?              ?              ?
  1 1 1     -20   10    5 o    18.93000      0.3133000       18.97000 0.4479000       18.90000      0.4383000      0.6178000E-01  0.6267000
  1 1 1     -20   10    6 o    10.93000      0.3832000       10.87000 0.6609000       11.00000      0.3882000     -0.1252000      0.7665000
  1 1 1     -20   10    7 o    6.127000      0.4281000       6.296000 0.4305000       5.958000      0.7402000      0.3387000      0.8563000
  1 1 1     -20   10    8 f    7.935000      0.4018000       8.443000 0.4726000       7.427000      0.6500000       1.016000      0.8037000
  1 1 1     -20   10    9 o    7.509000      0.3156000       8.026000 0.4388000       6.992000      0.4538000       1.034000      0.6313000
  1 1 1     -20   10   10 o    5.793000      0.3889000       5.783000 0.5493000       5.803000      0.5507000     -0.2013000E-01  0.7778000
  1 1 1     -20   10   11 o    2.766000      0.7941000       2.830000 1.204000       2.702000       1.036000      0.1284000       1.588000
  1 1 1     -20   10   12 o    2.956000      0.5595000       3.677000 0.6487000       2.236000      0.9118000       1.441000       1.119000
  1 1 1     -20   10   13 o    6.480000      0.3534000       6.201000 0.4650000       6.759000      0.5324000     -0.5586000      0.7069000
  1 1 1     -20   10   14 o    3.659000      0.5745000       3.734000 0.6956000       3.583000      0.9145000      0.1511000       1.149000
  1 1 1     -20   10   15 o    8.420000      0.3219000       8.361000 0.4234000       8.479000      0.4851000     -0.1182000      0.6439000
  1 1 1     -20   10   16 o    6.398000      0.3893000       6.598000 0.4807000       6.197000      0.6124000      0.4012000      0.7785000
  1 1 1     -20   10   17 o    6.072000      0.4262000       6.512000 0.4686000       5.633000      0.7120000      0.8785000      0.8524000
  1 1 1     -20   10   18 o    4.338000      0.5553000       4.395000 0.6434000       4.280000      0.9051000      0.1151000       1.111000
  1 1 1     -20   10   19 o    3.159000      0.6586000       3.116000 0.8806000       3.202000      0.9794000     -0.8587000E-01   1.317000
  1 1 1     -20   10   20 o    3.731000      0.5860000       3.689000 0.7447000       3.773000      0.9049000     -0.8349000E-01   1.172000
  1 1 1     -20   10   21 o    5.725000      0.4281000       5.973000 0.5120000       5.477000      0.6863000      0.4953000      0.8562000
  1 1 1     -20   10   22 o    6.455000      0.3844000       6.101000 0.5336000       6.809000      0.5533000     -0.7088000      0.7687000
  1 1 1     -20   10   23 o    5.570000      0.4496000       6.179000 0.5491000       4.961000      0.7122000       1.218000      0.8993000
  1 1 1     -20   10   24 f    3.837000      0.6119000       3.539000 0.9036000       4.135000      0.8254000     -0.5959000       1.224000
  1 1 1     -20   11    1 o    5.014000      0.3497000       5.094000 0.4699000       4.935000      0.5180000      0.1592000      0.6994000
  1 1 1     -20   11    2 o    5.650000      0.3336000       5.692000 0.4584000       5.608000      0.4849000      0.8374000E-01  0.6672000
  1 1 1     -20   11    3 o    14.91000      0.2753000       14.99000 0.3956000       14.83000      0.3829000      0.1576000      0.5506000
  1 1 1     -20   11    4 o    9.812000      0.3766000       9.812000 0.3766000                  ?              ?              ?              ?
  1 1 1     -20   11    5 o    15.12000      0.2857000       14.90000 0.4081000       15.33000      0.3998000     -0.4316000      0.5713000
  1 1 1     -20   11    6 o    1.784000      0.8353000                  ?       ?   1.784000      0.8353000                  ?              ?
  1 1 1     -20   11    7 o    4.767000      0.4763000       5.297000 0.6210000       4.236000      0.7223000       1.060000      0.9526000
  1 1 1     -20   11    8 o    2.366000      0.6120000       2.245000 0.8577000       2.487000      0.8732000     -0.2424000       1.224000
  1 1 1     -20   11    9 o    7.108000      0.5973000       7.132000 0.9960000       7.085000      0.6595000      0.4696000E-01   1.195000
  1 1 1     -20   11   10 o    6.918000      0.6067000       6.804000 0.9989000       7.032000      0.6889000     -0.2273000       1.213000
  1 1 1     -20   11   11 o    3.383000      0.6044000       4.093000 0.7481000       2.673000      0.9496000       1.420000       1.209000
  1 1 1     -20   11   12 o    4.523000      0.5232000       4.934000 0.6619000       4.112000      0.8104000      0.8219000       1.046000
  1 1 1     -20   11   13 o    3.684000      0.5920000       4.415000 0.7366000       2.953000      0.9271000       1.462000       1.184000
  1 1 1     -20   11   14 f    7.410000      0.3346000       7.255000 0.4303000       7.564000      0.5126000     -0.3099000      0.6693000
  1 1 1     -20   11   15 f    9.090000      0.3246000       9.324000 0.4073000       8.857000      0.5054000      0.4666000      0.6491000
  1 1 1     -20   11   16 f    5.987000      0.4030000       5.772000 0.4978000       6.202000      0.6338000     -0.4296000      0.8059000
  1 1 1     -20   11   17 o    4.160000      0.5430000       3.948000 0.6706000       4.372000      0.8542000     -0.4241000       1.086000
  1 1 1     -20   11   18 o    5.921000      0.4239000       6.357000 0.4702000       5.485000      0.7054000      0.8720000      0.8478000
  1 1 1     -20   11   19 o    2.633000      0.6608000       2.750000 0.8990000       2.516000      0.9688000      0.2343000       1.322000
  1 1 1     -20   11   20 o    2.739000      0.6433000       2.953000 0.8613000       2.524000      0.9558000      0.4292000       1.287000
  1 1 1     -20   11   21 o    3.284000      0.6413000       3.793000 0.8293000       2.775000      0.9783000       1.017000       1.283000
  1 1 1     -20   11   22 o    1.993000      0.5922000       2.261000 0.8695000       1.726000      0.8043000      0.5348000       1.184000
  1 1 1     -20   11   23 o    3.715000      0.6209000       3.769000 0.8377000       3.660000      0.9166000      0.1091000       1.242000
  1 1 1     -20   12    1 o    9.609000      0.2572000       9.700000 0.3643000       9.518000      0.3632000      0.1819000      0.5144000
  1 1 1     -20   12    2 o    7.366000      0.2846000       7.335000 0.3981000       7.398000      0.4070000     -0.6303000E-01  0.5693000
  1 1 1     -20   12    3 o    8.200000      0.2800000       7.961000 0.3855000       8.439000      0.4062000     -0.4779000      0.5600000
  1 1 1     -20   12    4 o    3.107000      0.6776000       3.301000 0.8628000       2.912000       1.045000      0.3890000       1.355000
  1 1 1     -20   12    5 o    10.70000      0.3575000       11.09000 0.4613000       10.32000      0.5463000      0.7748000      0.7150000
  1 1 1     -20   12    6 o    11.19000      0.2798000       10.81000 0.4003000       11.57000      0.3911000     -0.7658000      0.5597000
  1 1 1     -20   12    7 f    8.355000      0.2967000       8.796000 0.4059000       7.913000      0.4328000      0.8828000      0.5934000
  1 1 1     -20   12    8 o    3.363000      0.8044000       4.546000 1.310000       2.181000      0.9338000       2.365000       1.609000
  1 1 1     -20   12    9 o    3.536000      0.6024000       4.308000 0.7531000       2.765000      0.9403000       1.543000       1.205000
  1 1 1     -20   12   10 o    6.728000      0.3591000       6.807000 0.4972000       6.648000      0.5182000      0.1594000      0.7181000
  1 1 1     -20   12   11 o    3.935000      0.5969000       3.699000 0.8394000       4.171000      0.8487000     -0.4725000       1.194000
  1 1 1     -20   12   12 o    2.979000      0.5762000       3.979000 0.7758000       1.979000      0.8521000       2.000000       1.152000
  1 1 1     -20   12   13 o    4.412000      0.5519000       4.674000 0.7046000       4.149000      0.8498000      0.5257000       1.104000
  1 1 1     -20   12   14 o    6.747000      0.3915000       7.039000 0.5109000       6.455000      0.5933000      0.5839000      0.7830000
  1 1 1     -20   12   15 o    3.894000      0.5893000       4.576000 0.7180000       3.213000      0.9345000       1.363000       1.179000
  1 1 1     -20   12   16 o    7.078000      0.3578000       7.741000 0.4226000       6.415000      0.5774000       1.326000      0.7155000
  1 1 1     -20   12   17 o    5.510000      0.4331000       5.478000 0.5477000       5.543000      0.6712000     -0.6507000E-01  0.8663000
  1 1 1     -20   12   18 o    4.902000      0.5093000       4.544000 0.6762000       5.260000      0.7618000     -0.7160000       1.019000
  1 1 1     -20   12   19 o    2.793000      0.6511000       3.027000 0.8793000       2.559000      0.9606000      0.4685000       1.302000
  1 1 1     -20   12   20 o    2.205000      0.6189000       2.344000 0.8687000       2.065000      0.8816000      0.2789000       1.238000
  1 1 1     -20   12   21 o    2.861000      0.6497000       3.129000 0.8918000       2.594000      0.9450000      0.5348000       1.299000
  1 1 1     -20   12   22 o    3.166000      0.5995000       3.782000 0.7293000       2.549000      0.9517000       1.233000       1.199000
  1 1 1     -20   13    1 o    4.443000      0.4205000       4.541000 0.5365000       4.344000      0.6476000      0.1973000      0.8410000
  1 1 1     -20   13    2 o    3.167000      0.6314000       2.530000 0.8681000       3.805000      0.9172000      -1.275000       1.263000
  1 1 1     -20   13    3 o    3.924000      0.6251000       3.528000 0.8448000       4.319000      0.9215000     -0.7909000       1.250000
  1 1 1     -20   13    4 o    3.539000      0.5365000       2.523000 0.8409000       4.555000      0.6666000      -2.032000       1.073000
  1 1 1     -20   13    5 o    5.665000      0.3813000       5.812000 0.5257000       5.519000      0.5524000      0.2931000      0.7626000
  1 1 1     -20   13    6 o    9.423000      0.4892000       9.287000 0.8031000       9.559000      0.5590000     -0.2718000      0.9785000
  1 1 1     -20   13    7 f    6.329000      0.4621000       6.733000 0.4683000       5.925000      0.7969000      0.8082000      0.9243000
  1 1 1     -20   13    8 o    3.637000      0.5640000       3.904000 0.7058000       3.370000      0.8798000      0.5337000       1.128000
  1 1 1     -20   13    9 o    2.210000      0.6162000       2.005000 0.8435000       2.416000      0.8986000     -0.4111000       1.232000
  1 1 1     -20   13   10 o    4.474000      0.5412000       5.460000 0.5975000       3.488000      0.9025000       1.972000       1.082000
  1 1 1     -20   13   11 o    4.734000      0.4952000       4.643000 0.6729000       4.825000      0.7267000     -0.1820000      0.9904000
  1 1 1     -20   13   12 o    5.391000      0.4406000       5.514000 0.6023000       5.267000      0.6432000      0.2467000      0.8812000
  1 1 1     -20   13   13 o    5.294000      0.4432000       5.531000 0.5701000       5.057000      0.6787000      0.4749000      0.8863000
  1 1 1     -20   13   14 o    2.733000      0.6176000       1.935000 0.8138000       3.532000      0.9293000      -1.596000       1.235000
  1 1 1     -20   13   15 o    6.829000      0.3922000       6.946000 0.5256000       6.712000      0.5823000      0.2342000      0.7845000
  1 1 1     -20   13   16 o    6.721000      0.3764000       6.301000 0.5445000       7.140000      0.5199000     -0.8394000      0.7528000
  1 1 1     -20   13   17 f    1.964000      0.5985000       2.046000 0.8513000       1.883000      0.8415000      0.1630000       1.197000
  1 1 1     -20   13   18 o    2.819000      0.6410000       2.256000 0.8581000       3.382000      0.9524000      -1.126000       1.282000
  1 1 1     -20   13   19 o    1.970000      0.6039000       1.979000 0.8367000       1.961000      0.8711000      0.1794000E-01   1.208000
  1 1 1     -20   13   20 o    1.817000      0.5788000       1.785000 0.8004000       1.849000      0.8364000     -0.6362000E-01   1.158000
  1 1 1     -20   14    1 o    3.566000      0.6293000       3.478000 0.7853000       3.655000      0.9835000     -0.1770000       1.259000
  1 1 1     -20   14    2 o    3.636000      0.5377000       3.007000 0.8368000       4.264000      0.6753000      -1.256000       1.075000
  1 1 1     -20   14    3 o    8.430000      0.3060000       8.153000 0.4466000       8.707000      0.4185000     -0.5538000      0.6121000
  1 1 1     -20   14    4 o    4.166000      0.8057000       4.168000 1.309000       4.165000      0.9394000      0.2738000E-02   1.611000
  1 1 1     -20   14    5 o    5.383000       1.121000       5.383000 1.121000                  ?              ?              ?              ?
  1 1 1     -20   14    6 o    4.796000      0.4369000       4.959000 0.5895000       4.633000      0.6450000      0.3264000      0.8738000
  1 1 1     -20   14    7 o    3.371000      0.7020000       4.940000 1.160000       1.803000      0.7913000       3.137000       1.404000
  1 1 1     -20   14    8 o    7.193000      0.3474000       7.235000 0.4853000       7.150000      0.4972000      0.8543000E-01  0.6948000
  1 1 1     -20   14    9 o    6.101000      0.3784000       5.925000 0.5566000       6.276000      0.5128000     -0.3518000      0.7568000
  1 1 1     -20   14   10 f    4.468000      0.5201000       4.760000 0.6976000       4.175000      0.7715000      0.5856000       1.040000
  1 1 1     -20   14   11 o    4.340000      0.5284000       3.798000 0.7908000       4.883000      0.7010000      -1.086000       1.057000
  1 1 1     -20   14   12 o    6.360000      0.3949000       6.683000 0.5126000       6.037000      0.6009000      0.6462000      0.7898000
  1 1 1     -20   14   13 o    1.726000      0.5530000       1.590000 0.7375000       1.862000      0.8243000     -0.2722000       1.106000
  1 1 1     -20   14   14 o    1.825000      0.5755000       1.829000 0.8038000       1.821000      0.8239000      0.8038000E-02   1.151000
  1 1 1     -20   14   15 o    4.229000      0.5658000       3.431000 0.8700000       5.026000      0.7236000      -1.595000       1.132000
  1 1 1     -20   14   16 o    3.470000      0.6401000       3.949000 0.8132000       2.991000      0.9889000      0.9587000       1.280000
  1 1 1     -20   14   17 o    2.102000      0.6193000       2.080000 0.8518000       2.125000      0.8991000     -0.4548000E-01   1.239000
  1 1 1     -20   14   18 o    2.490000      0.6343000       1.946000 0.8541000       3.033000      0.9380000      -1.088000       1.269000
  1 1 1     -20   14   19 o    1.584000      0.5284000       1.506000 0.7187000       1.663000      0.7749000     -0.1571000       1.057000
  1 1 1     -20   15    1 o    1.729000      0.5430000       1.575000 0.7326000       1.883000      0.8018000     -0.3080000       1.086000
  1 1 1     -20   15    2 o    5.939000      0.6688000       6.346000 1.031000       5.532000      0.8518000      0.8138000       1.338000
  1 1 1     -20   15    3 o    8.830000      0.5019000       8.892000 0.7864000       8.768000      0.6240000      0.1241000       1.004000
  1 1 1     -20   15    4 o    2.811000      0.5768000       3.664000 0.8022000       1.958000      0.8291000       1.706000       1.154000
  1 1 1     -20   15    5 o    3.995000      0.8069000       3.995000 0.8069000                  ?              ?              ?              ?
  1 1 1     -20   15    6 o    3.083000      0.5267000       4.422000 0.7002000       1.745000      0.7869000       2.677000       1.053000
  1 1 1     -20   15    7 o    4.346000      0.7336000                  ?       ?   4.346000      0.7336000                  ?              ?
  1 1 1     -20   15    8 o    4.779000      0.4948000       4.356000 0.7658000       5.202000      0.6268000     -0.8458000      0.9896000
  1 1 1     -20   15    9 o    2.240000      0.6286000       2.443000 0.9188000       2.037000      0.8581000      0.4061000       1.257000
  1 1 1     -20   15   10 o    6.593000      0.3748000       6.451000 0.5446000       6.735000      0.5151000     -0.2836000      0.7496000
  1 1 1     -20   15   11 o    5.880000      0.4093000       6.022000 0.5434000       5.738000      0.6123000      0.2843000      0.8187000
  1 1 1     -20   15   12 o    3.247000      0.6466000       2.994000 0.8901000       3.499000      0.9380000     -0.5049000       1.293000
  1 1 1     -20   15   13 f    3.271000      0.6463000       3.304000 0.8834000       3.238000      0.9434000      0.6561000E-01   1.293000
  1 1 1     -20   15   14 o    3.570000      0.6374000       3.297000 0.8927000       3.843000      0.9099000     -0.5457000       1.275000
  1 1 1     -20   15   15 o    2.317000      0.6474000       2.167000 0.8806000       2.467000      0.9493000     -0.2994000       1.295000
  1 1 1     -20   15   16 o    2.810000      0.6651000       2.287000 0.9085000       3.334000      0.9716000      -1.047000       1.330000
  1 1 1     -20   15   17 o    1.922000      0.5931000       2.225000 0.9025000       1.618000      0.7698000      0.6073000       1.186000
  1 1 1     -20   16    1 o    3.016000      0.6560000       2.636000 0.8519000       3.396000      0.9978000     -0.7601000       1.312000
  1 1 1     -20   16    2 o    3.546000      0.5806000       2.959000 0.8808000       4.133000      0.7567000      -1.173000       1.161000
  1 1 1     -20   16    3 o    4.313000      0.5224000       4.659000 0.6903000       3.966000      0.7843000      0.6928000       1.045000
  1 1 1     -20   16    4 o    1.730000      0.5514000       1.751000 0.7841000       1.709000      0.7754000      0.4200000E-01   1.103000
  1 1 1     -20   16    5 o    1.654000      0.5421000       1.643000 0.7587000       1.665000      0.7745000     -0.2260000E-01   1.084000
  1 1 1     -20   16    6 o    4.229000      0.5599000       5.192000 0.6584000       3.267000      0.9057000       1.925000       1.120000
  1 1 1     -20   16    7 o    4.561000      0.5117000       4.292000 0.7664000       4.829000      0.6783000     -0.5367000       1.023000
  1 1 1     -20   16    8 f    3.612000      0.6182000       3.667000 0.8545000       3.558000      0.8937000      0.1094000       1.236000
  1 1 1     -20   16    9 o    4.966000      0.5061000       5.183000 0.6735000       4.748000      0.7555000      0.4349000       1.012000
  1 1 1     -20   16   10 o    3.423000      0.5923000       4.496000 0.7517000       2.349000      0.9155000       2.147000       1.185000
  1 1 1     -20   16   11 o    2.383000      0.6478000       2.585000 0.9381000       2.182000      0.8937000      0.4026000       1.296000
  1 1 1     -20   16   12 o    2.585000      0.6674000       2.663000 0.9134000       2.506000      0.9733000      0.1570000       1.335000
  1 1 1     -20   16   13 o    2.278000      0.6877000       2.227000 0.8927000       2.330000       1.046000     -0.1026000       1.375000
  1 1 1     -20   16   14 o    2.912000      0.6664000       3.287000 0.9199000       2.537000      0.9645000      0.7497000       1.333000
  1 1 1     -20   16   15 o    2.697000      0.6735000       2.670000 0.9403000       2.725000      0.9646000     -0.5526000E-01   1.347000
  1 1 1     -20   16   16 o    2.822000       1.083000       2.822000 1.083000                  ?              ?              ?              ?
  1 1 1     -20   17    1 o    2.854000      0.6284000       2.382000 0.9182000       3.326000      0.8580000     -0.9441000       1.257000
  1 1 1     -20   17    2 o    1.918000      0.5828000       1.740000 0.7755000       2.097000      0.8703000     -0.3569000       1.166000
  1 1 1     -20   17    3 o    3.888000      0.5609000       3.854000 0.8307000       3.922000      0.7537000     -0.6782000E-01   1.122000
  1 1 1     -20   17    4 o    2.960000      0.6493000       2.733000 0.9557000       3.188000      0.8790000     -0.4557000       1.299000
  1 1 1     -20   17    5 o    3.229000      0.6088000       4.109000 0.8009000       2.349000      0.9172000       1.760000       1.218000
  1 1 1     -20   17    6 o    2.897000      0.6361000       3.532000 0.8994000       2.262000      0.8997000       1.269000       1.272000
  1 1 1     -20   17    7 o    2.843000      0.6434000       3.268000 0.9058000       2.418000      0.9141000      0.8498000       1.287000
  1 1 1     -20   17    8 o    2.522000      0.6708000       2.417000 0.9407000       2.627000      0.9564000     -0.2105000       1.342000
  1 1 1     -20   17    9 o    4.523000      0.5496000       5.727000 0.6147000       3.319000      0.9113000       2.408000       1.099000
  1 1 1     -20   17   10 o    4.884000      0.5212000       4.456000 0.8202000       5.311000      0.6431000     -0.8554000       1.042000
  1 1 1     -20   17   11 o    3.777000      0.6247000       4.005000 0.8037000       3.548000      0.9567000      0.4565000       1.249000
  1 1 1     -20   17   12 o    2.361000      0.6642000       2.178000 0.9032000       2.544000      0.9741000     -0.3664000       1.328000
  1 1 1     -20   17   13 o    2.720000      0.6606000       3.196000 0.9583000       2.245000      0.9094000      0.9512000       1.321000
  1 1 1     -20   18    1 o    2.510000      0.6493000       2.588000 0.8954000       2.431000      0.9404000      0.1571000       1.299000
  1 1 1     -20   18    2 o    3.263000      0.6447000       3.383000 0.9084000       3.142000      0.9151000      0.2412000       1.289000
  1 1 1     -20   18    3 o    3.912000      0.5758000       3.305000 0.9406000       4.519000      0.6645000      -1.214000       1.152000
  1 1 1     -20   18    4 o    4.096000      0.5642000       4.235000 0.7708000       3.956000      0.8242000      0.2788000       1.128000
  1 1 1     -20   18    5 o    2.515000      0.6366000       3.069000 0.9551000       1.960000      0.8419000       1.109000       1.273000
  1 1 1     -20   18    6 o    4.620000      0.7637000       4.620000 0.7637000                  ?              ?              ?              ?
  1 1 1     -20   18    7 o    3.092000      0.6657000       2.536000 0.9491000       3.647000      0.9338000      -1.111000       1.331000
  1 1 1     -20   18    8 o    2.288000      0.6813000       2.695000 1.074000       1.881000      0.8387000      0.8134000       1.363000
  1 1 1     -20   18    9 o    3.319000      0.6432000       2.728000 0.9382000       3.910000      0.8800000      -1.182000       1.286000
  1 1 1     -20   18   10 o    2.545000      0.6494000       3.052000 0.9522000       2.037000      0.8832000       1.015000       1.299000
  1 1 1     -20   18   11 o    2.895000       1.162000       2.895000 1.162000                  ?              ?              ?              ?
  1 1 1     -20   19    1 o    2.275000      0.6499000       1.963000 0.8700000       2.587000      0.9658000     -0.6240000       1.300000
  1 1 1     -20   19    2 o    2.315000      0.6479000       1.942000 0.8600000       2.688000      0.9693000     -0.7456000       1.296000
  1 1 1     -20   19    3 o    2.612000      0.6729000       2.466000 0.9323000       2.757000      0.9706000     -0.2917000       1.346000
  1 1 1     -20   19    4 o    3.081000      0.6826000       3.178000 0.9879000       2.984000      0.9422000      0.1940000       1.365000
  1 1 1     -20   19    5 o    3.082000      0.6834000       3.248000 0.9829000       2.916000      0.9496000      0.3319000       1.367000
  1 1 1     -20   19    6 o    2.153000      0.9234000       2.153000 0.9234000                  ?              ?              ?              ?
  1 1 1     -20   19    7 f    2.069000      0.9802000       2.069000 0.9802000                  ?              ?              ?              ?
  1 1 1     -19  -37    1 o    2.784000      0.7098000       3.270000 1.006000       2.298000       1.001000      0.9717000       1.420000
  1 1 1     -19  -37    2 o    2.368000      0.7696000       2.504000 1.181000       2.233000      0.9870000      0.2707000       1.539000
  1 1 1     -19  -37    3 o    3.149000      0.8840000       3.331000 1.393000       2.966000       1.088000      0.3658000       1.768000
  1 1 1     -19  -37    4 o    3.310000       1.275000       3.310000 1.275000                  ?              ?              ?              ?
  1 1 1     -19  -36    1 o    3.329000      0.7126000       3.109000 0.9750000       3.549000       1.039000     -0.4395000       1.425000
  1 1 1     -19  -36    2 o    2.612000      0.7180000       2.901000 1.032000       2.323000      0.9983000      0.5779000       1.436000
  1 1 1     -19  -36    3 o    2.277000      0.6779000       2.124000 0.9119000       2.429000       1.003000     -0.3044000       1.356000
  1 1 1     -19  -36    4 o    2.393000      0.6847000       1.966000 0.8839000       2.820000       1.046000     -0.8534000       1.369000
  1 1 1     -19  -36    5 o    2.628000      0.7234000       2.828000 1.046000       2.428000      0.9998000      0.3994000       1.447000
  1 1 1     -19  -36    6 o    2.786000      0.7401000       2.633000 1.020000       2.940000       1.073000     -0.3070000       1.480000
  1 1 1     -19  -36    7 o    2.038000      0.6416000       1.922000 0.8704000       2.153000      0.9430000     -0.2312000       1.283000
  1 1 1     -19  -36    8 o    1.966000      0.6411000       2.074000 0.9376000       1.857000      0.8745000      0.2170000       1.282000
  1 1 1     -19  -36    9 o    2.067000       1.017000       2.067000 1.017000                  ?              ?              ?              ?
  1 1 1     -19  -35    1 o    2.406000      0.6772000       2.081000 0.9035000       2.732000       1.009000     -0.6516000       1.354000
  1 1 1     -19  -35    2 f    3.145000      0.6865000       3.656000 0.9334000       2.633000       1.007000       1.022000       1.373000
  1 1 1     -19  -35    3 o    2.428000      0.6859000       1.990000 0.8784000       2.866000       1.054000     -0.8756000       1.372000
  1 1 1     -19  -35    4 f    3.050000      0.7128000       3.242000 0.9598000       2.857000       1.054000      0.3846000       1.426000
  1 1 1     -19  -35    5 o    4.178000      0.6206000       5.518000 0.6858000       2.838000       1.034000       2.680000       1.241000
  1 1 1     -19  -35    6 o    2.499000      0.6905000       1.880000 0.8696000       3.118000       1.073000      -1.238000       1.381000
  1 1 1     -19  -35    7 o    2.359000      0.6830000       2.524000 0.9811000       2.195000      0.9504000      0.3285000       1.366000
  1 1 1     -19  -35    8 o    2.970000      0.6931000       2.451000 0.9453000       3.488000       1.014000      -1.037000       1.386000
  1 1 1     -19  -35    9 o    2.412000      0.6842000       2.006000 0.8939000       2.818000       1.036000     -0.8122000       1.368000
  1 1 1     -19  -35   10 o    2.031000      0.6370000       2.289000 0.9530000       1.773000      0.8456000      0.5155000       1.274000
  1 1 1     -19  -35   11 o    3.699000      0.7440000       3.288000 1.093000       4.111000       1.009000     -0.8236000       1.488000
  1 1 1     -19  -35   12 f    2.994000      0.6922000       3.127000 0.8667000       2.861000       1.080000      0.2659000       1.384000
  1 1 1     -19  -34    1 o    2.459000      0.6349000       1.744000 0.8014000       3.173000      0.9850000      -1.429000       1.270000
  1 1 1     -19  -34    2 o    2.123000      0.6252000       2.440000 0.9389000       1.807000      0.8259000      0.6333000       1.250000
  1 1 1     -19  -34    3 o    2.761000      0.6714000       2.224000 0.9007000       3.297000      0.9958000      -1.073000       1.343000
  1 1 1     -19  -34    4 o    2.332000      0.6257000       2.982000 0.9629000       1.682000      0.7994000       1.301000       1.251000
  1 1 1     -19  -34    5 o    2.309000      0.6603000       1.894000 0.8335000       2.724000       1.024000     -0.8298000       1.321000
  1 1 1     -19  -34    6 o    3.503000      0.6692000       2.840000 0.9641000       4.166000      0.9283000      -1.326000       1.338000
  1 1 1     -19  -34    7 o    4.783000      0.6130000       5.410000 0.7463000       4.155000      0.9727000       1.255000       1.226000
  1 1 1     -19  -34    8 o    1.972000      0.6297000       1.801000 0.8330000       2.143000      0.9445000     -0.3417000       1.259000
  1 1 1     -19  -34    9 o    1.962000      0.6081000       2.269000 0.9271000       1.656000      0.7871000      0.6134000       1.216000
  1 1 1     -19  -34   10 o    2.082000      0.6473000       2.008000 0.9001000       2.156000      0.9306000     -0.1480000       1.295000
  1 1 1     -19  -34   11 o    2.274000      0.6619000       1.832000 0.8338000       2.715000       1.028000     -0.8828000       1.324000
  1 1 1     -19  -34   12 o    2.315000      0.6819000       2.224000 0.9470000       2.406000      0.9814000     -0.1817000       1.364000
  1 1 1     -19  -34   13 o    1.844000      0.6055000       1.777000 0.8252000       1.911000      0.8863000     -0.1335000       1.211000
  1 1 1     -19  -34   14 o    2.870000      0.7558000       2.598000 1.028000       3.141000       1.108000     -0.5433000       1.512000
  1 1 1     -19  -33    1 o    4.575000      0.4881000       5.037000 0.5816000       4.113000      0.7840000      0.9238000      0.9762000
  1 1 1     -19  -33    2 o    1.771000      0.5607000       1.779000 0.7855000       1.763000      0.8004000      0.1651000E-01   1.121000
  1 1 1     -19  -33    3 o    3.346000      0.5900000       2.205000 0.8994000       4.486000      0.7638000      -2.281000       1.180000
  1 1 1     -19  -33    4 o    5.009000      0.4836000       4.813000 0.7196000       5.205000      0.6462000     -0.3917000      0.9672000
  1 1 1     -19  -33    5 o    2.024000      0.6077000       1.782000 0.8010000       2.266000      0.9142000     -0.4840000       1.215000
  1 1 1     -19  -33    6 o    2.690000      0.6550000       3.104000 0.9176000       2.275000      0.9348000      0.8291000       1.310000
  1 1 1     -19  -33    7 o    3.229000      0.6420000       3.550000 0.8502000       2.907000      0.9623000      0.6430000       1.284000
  1 1 1     -19  -33    8 o    2.984000      0.6620000       3.419000 0.9177000       2.550000      0.9542000      0.8687000       1.324000
  1 1 1     -19  -33    9 o    3.470000      0.6814000       3.850000 0.9120000       3.091000       1.013000      0.7593000       1.363000
  1 1 1     -19  -33   10 o    3.917000      0.6533000       3.756000 0.9166000       4.077000      0.9311000     -0.3215000       1.307000
  1 1 1     -19  -33   11 o    2.970000      0.6624000       3.840000 0.9631000       2.100000      0.9096000       1.740000       1.325000
  1 1 1     -19  -33   12 o    4.287000      0.6527000       5.611000 0.7502000       2.964000       1.068000       2.648000       1.305000
  1 1 1     -19  -33   13 o    2.831000      0.7215000       2.474000 0.9894000       3.188000       1.050000     -0.7140000       1.443000
  1 1 1     -19  -33   14 o    3.786000      0.7168000       4.258000 0.9047000       3.315000       1.112000      0.9433000       1.434000
  1 1 1     -19  -33   15 o    3.227000      0.7177000       2.263000 0.9703000       4.192000       1.058000      -1.929000       1.435000
  1 1 1     -19  -33   16 o    3.507000      0.7328000       3.772000 0.9889000       3.243000       1.082000      0.5296000       1.466000
  1 1 1     -19  -32    1 o    2.512000      0.5955000       2.851000 0.8197000       2.173000      0.8640000      0.6782000       1.191000
  1 1 1     -19  -32    2 o    2.692000      0.5991000       2.281000 0.8356000       3.103000      0.8587000     -0.8223000       1.198000
  1 1 1     -19  -32    3 o    2.270000      0.6012000       2.175000 0.8195000       2.365000      0.8799000     -0.1897000       1.202000
  1 1 1     -19  -32    4 o    2.610000      0.6084000       2.225000 0.8220000       2.996000      0.8971000     -0.7715000       1.217000
  1 1 1     -19  -32    5 o    1.793000      0.5393000       2.102000 0.8127000       1.485000      0.7093000      0.6176000       1.079000
  1 1 1     -19  -32    6 o    3.120000      0.5022000       4.459000 0.6116000       1.781000      0.7967000       2.678000       1.004000
  1 1 1     -19  -32    7 o    2.700000      0.6414000       2.846000 0.8878000       2.555000      0.9259000      0.2911000       1.283000
  1 1 1     -19  -32    8 o    3.090000      0.6808000       3.276000 0.9402000       2.904000      0.9848000      0.3723000       1.362000
  1 1 1     -19  -32    9 o    6.293000      0.4056000       6.724000 0.5042000       5.863000      0.6355000      0.8610000      0.8112000
  1 1 1     -19  -32   10 o    1.948000      0.6043000       1.993000 0.8623000       1.902000      0.8467000      0.9092000E-01   1.209000
  1 1 1     -19  -32   11 o    3.095000      0.7070000       3.457000 0.9792000       2.733000       1.020000      0.7239000       1.414000
  1 1 1     -19  -32   12 o    4.949000      0.5778000       5.551000 0.6678000       4.346000      0.9431000       1.205000       1.156000
  1 1 1     -19  -32   13 o    3.435000      0.7431000       3.271000 1.049000       3.600000       1.053000     -0.3290000       1.486000
  1 1 1     -19  -32   14 o    3.511000      0.7160000       2.973000 0.9932000       4.048000       1.032000      -1.075000       1.432000
  1 1 1     -19  -32   15 o    2.194000      0.6761000       2.348000 0.9786000       2.040000      0.9332000      0.3078000       1.352000
  1 1 1     -19  -32   16 o    3.067000      0.7145000       2.712000 0.9887000       3.422000       1.032000     -0.7101000       1.429000
  1 1 1     -19  -32   17 o    2.284000      0.6441000       2.843000 0.9893000       1.726000      0.8252000       1.117000       1.288000
  1 1 1     -19  -32   18 o    2.008000      0.6375000       1.721000 0.8119000       2.296000      0.9829000     -0.5751000       1.275000
  1 1 1     -19  -31    1 o    1.880000      0.5631000       1.736000 0.7571000       2.025000      0.8337000     -0.2892000       1.126000
  1 1 1     -19  -31    2 o    1.999000      0.5652000       1.794000 0.7641000       2.204000      0.8330000     -0.4099000       1.130000
  1 1 1     -19  -31    3 o    2.503000      0.5771000       2.910000 0.8040000       2.095000      0.8282000      0.8151000       1.154000
  1 1 1     -19  -31    4 o    4.162000      0.4739000       4.491000 0.5836000       3.833000      0.7469000      0.6584000      0.9479000
  1 1 1     -19  -31    5 o    3.447000      0.5351000       4.206000 0.6150000       2.688000      0.8760000       1.518000       1.070000
  1 1 1     -19  -31    6 o    6.523000      0.3484000       6.585000 0.4578000       6.461000      0.5252000      0.1241000      0.6967000
  1 1 1     -19  -31    7 o    4.488000      0.5216000       4.908000 0.6425000       4.067000      0.8218000      0.8406000       1.043000
  1 1 1     -19  -31    8 o    3.191000      0.6311000       3.275000 0.8212000       3.108000      0.9585000      0.1672000       1.262000
  1 1 1     -19  -31    9 o    4.410000      0.5168000       4.290000 0.6886000       4.529000      0.7709000     -0.2396000       1.034000
  1 1 1     -19  -31   10 o    3.553000      0.6442000       3.174000 0.9321000       3.931000      0.8896000     -0.7571000       1.288000
  1 1 1     -19  -31   11 o    4.004000      0.6105000       4.092000 0.7681000       3.916000      0.9492000      0.1759000       1.221000
  1 1 1     -19  -31   12 o    5.473000      0.4821000       5.520000 0.6520000       5.427000      0.7103000      0.9338000E-01  0.9642000
  1 1 1     -19  -31   13 o    3.497000      0.6876000       3.913000 0.8860000       3.081000       1.052000      0.8326000       1.375000
  1 1 1     -19  -31   14 o    2.554000      0.6854000       2.796000 0.9673000       2.313000      0.9714000      0.4827000       1.371000
  1 1 1     -19  -31   15 o    3.091000      0.7300000       2.630000 0.9866000       3.552000       1.076000     -0.9218000       1.460000
  1 1 1     -19  -31   16 o    2.605000      0.6622000       1.859000 0.8429000       3.352000       1.021000      -1.493000       1.324000
  1 1 1     -19  -31   17 o    3.156000      0.6936000       3.604000 0.9313000       2.707000       1.028000      0.8964000       1.387000
  1 1 1     -19  -31   18 o    2.069000      0.6395000       1.750000 0.8153000       2.388000      0.9854000     -0.6384000       1.279000
  1 1 1     -19  -31   19 o    4.660000      0.6414000       4.092000 0.9940000       5.228000      0.8108000      -1.136000       1.283000
  1 1 1     -19  -31   20 o    3.217000      0.8873000       3.500000 1.285000       2.935000       1.224000      0.5651000       1.775000
  1 1 1     -19  -30    1 o    4.527000      0.5369000       4.606000 0.5399000       4.447000      0.9283000      0.1593000       1.074000
  1 1 1     -19  -30    2 o    2.999000      0.6711000       2.791000 0.8212000       3.207000       1.062000     -0.4155000       1.342000
  1 1 1     -19  -30    3 o    2.100000      0.5660000       2.127000 0.8152000       2.074000      0.7854000      0.5231000E-01   1.132000
  1 1 1     -19  -30    4 o    3.731000      0.5186000       3.587000 0.6930000       3.876000      0.7718000     -0.2895000       1.037000
  1 1 1     -19  -30    5 o    7.259000      0.3189000       7.222000 0.4436000       7.295000      0.4583000     -0.7289000E-01  0.6378000
  1 1 1     -19  -30    6 o    6.168000      0.3767000       6.950000 0.4581000       5.385000      0.5982000       1.565000      0.7534000
  1 1 1     -19  -30    7 o    1.899000      0.5674000       1.995000 0.7959000       1.804000      0.8089000      0.1909000       1.135000
  1 1 1     -19  -30    8 o    1.793000      0.5464000       2.047000 0.8154000       1.539000      0.7274000      0.5084000       1.093000
  1 1 1     -19  -30    9 o    2.833000      0.6291000       3.240000 0.8676000       2.425000      0.9113000      0.8144000       1.258000
  1 1 1     -19  -30   10 o    4.269000      0.5539000       4.361000 0.7585000       4.178000      0.8074000      0.1838000       1.108000
  1 1 1     -19  -30   11 o    4.068000      0.5863000       4.310000 0.7445000       3.826000      0.9060000      0.4843000       1.173000
  1 1 1     -19  -30   12 o    5.228000      0.4875000       5.730000 0.5685000       4.725000      0.7920000       1.005000      0.9749000
  1 1 1     -19  -30   13 o    4.127000      0.6285000       4.464000 0.7757000       3.790000      0.9890000      0.6741000       1.257000
  1 1 1     -19  -30   14 o    2.232000      0.6509000       2.102000 0.8703000       2.361000      0.9681000     -0.2594000       1.302000
  1 1 1     -19  -30   15 o    2.626000      0.6925000       2.772000 0.9491000       2.481000       1.009000      0.2908000       1.385000
  1 1 1     -19  -30   16 o    3.299000      0.7309000       3.583000 1.005000       3.014000       1.061000      0.5689000       1.462000
  1 1 1     -19  -30   17 o    3.972000      0.6832000       3.767000 0.9531000       4.177000      0.9790000     -0.4093000       1.366000
  1 1 1     -19  -30   18 o    2.575000      0.7120000       2.230000 0.9454000       2.920000       1.065000     -0.6901000       1.424000
  1 1 1     -19  -30   19 o    2.135000      0.6517000       2.105000 0.9176000       2.164000      0.9256000     -0.5990000E-01   1.303000
  1 1 1     -19  -30   20 o    2.073000      0.6325000       1.704000 0.7965000       2.441000      0.9828000     -0.7368000       1.265000
  1 1 1     -19  -30   21 o    2.703000      0.6889000       3.221000 0.9973000       2.184000      0.9506000       1.037000       1.378000
  1 1 1     -19  -29    1 o    6.031000      0.3085000       5.951000 0.4285000       6.110000      0.4438000     -0.1585000      0.6169000
  1 1 1     -19  -29    2 o    3.741000      0.4615000       3.459000 0.6136000       4.024000      0.6896000     -0.5652000      0.9231000
  1 1 1     -19  -29    3 o    2.584000      0.5732000       2.347000 0.7659000       2.821000      0.8531000     -0.4742000       1.146000
  1 1 1     -19  -29    4 o    6.228000      0.4512000       6.474000 0.4634000       5.982000      0.7743000      0.4924000      0.9024000
  1 1 1     -19  -29    5 o    7.679000      0.4297000       8.365000 0.4556000       6.992000      0.7286000       1.373000      0.8593000
  1 1 1     -19  -29    6 o    2.850000      0.7065000       2.265000 0.8342000       3.434000       1.140000      -1.170000       1.413000
  1 1 1     -19  -29    7 o    2.152000      0.5914000       1.959000 0.7817000       2.345000      0.8876000     -0.3863000       1.183000
  1 1 1     -19  -29    8 o    1.708000      0.5318000       1.823000 0.7625000       1.593000      0.7415000      0.2296000       1.064000
  1 1 1     -19  -29    9 o    2.108000      0.6023000       1.877000 0.8068000       2.338000      0.8944000     -0.4601000       1.205000
  1 1 1     -19  -29   10 o    1.766000      0.5608000       1.618000 0.7488000       1.914000      0.8349000     -0.2954000       1.122000
  1 1 1     -19  -29   11 o    4.466000      0.5413000       3.846000 0.8295000       5.087000      0.6958000      -1.241000       1.083000
  1 1 1     -19  -29   12 o    3.255000      0.6400000       3.271000 0.8673000       3.238000      0.9415000      0.3320000E-01   1.280000
  1 1 1     -19  -29   13 o    2.535000      0.5700000       1.398000 0.6784000       3.672000      0.9162000      -2.273000       1.140000
  1 1 1     -19  -29   14 f    3.317000      0.6406000       2.631000 0.9173000       4.003000      0.8943000      -1.372000       1.281000
  1 1 1     -19  -29   15 o    2.786000      0.6902000       2.626000 0.9310000       2.947000       1.019000     -0.3211000       1.380000
  1 1 1     -19  -29   16 o    1.930000      0.6022000       1.531000 0.7295000       2.329000      0.9582000     -0.7985000       1.204000
  1 1 1     -19  -29   17 o    3.704000      0.6436000       4.608000 0.7464000       2.800000       1.049000       1.808000       1.287000
  1 1 1     -19  -29   18 o    3.561000      0.6856000       2.633000 0.9987000       4.490000      0.9396000      -1.858000       1.371000
  1 1 1     -19  -29   19 o    2.755000      0.6990000       2.125000 0.9314000       3.385000       1.043000      -1.260000       1.398000
  1 1 1     -19  -29   20 o    3.326000      0.6957000       2.604000 0.9813000       4.047000      0.9863000      -1.443000       1.391000
  1 1 1     -19  -29   21 o    3.224000      0.7020000       2.712000 0.9917000       3.736000      0.9938000      -1.024000       1.404000
  1 1 1     -19  -29   22 f    2.679000      0.7015000       2.872000 0.9739000       2.485000       1.010000      0.3872000       1.403000
  1 1 1     -19  -28    1 o    4.293000      0.6955000       4.147000 1.103000       4.438000      0.8473000     -0.2913000       1.391000
  1 1 1     -19  -28    2 o    1.953000      0.6298000       2.508000 1.058000       1.397000      0.6835000       1.112000       1.260000
  1 1 1     -19  -28    3 o    4.141000      0.7133000       4.487000 1.111000       3.794000      0.8953000      0.6922000       1.427000
  1 1 1     -19  -28    4 o    5.048000      0.3624000       4.994000 0.4742000       5.101000      0.5482000     -0.1065000      0.7248000
  1 1 1     -19  -28    5 o    6.245000      0.3221000       6.219000 0.4236000       6.271000      0.4852000     -0.5161000E-01  0.6441000
  1 1 1     -19  -28    6 o    3.992000      0.4872000       4.107000 0.6069000       3.877000      0.7623000      0.2307000      0.9743000
  1 1 1     -19  -28    7 o    3.349000      0.6688000       3.588000 0.7156000       3.111000       1.130000      0.4773000       1.338000
  1 1 1     -19  -28    8 o    2.114000      0.6480000       1.877000 0.7952000       2.350000       1.023000     -0.4729000       1.296000
  1 1 1     -19  -28    9 o    4.848000      0.6092000       4.907000 0.6411000       4.789000       1.036000      0.1177000       1.218000
  1 1 1     -19  -28   10 o    2.925000      0.6352000       2.734000 0.8506000       3.115000      0.9435000     -0.3813000       1.270000
  1 1 1     -19  -28   11 o    4.797000      0.5136000       5.282000 0.5917000       4.312000      0.8398000      0.9708000       1.027000
  1 1 1     -19  -28   12 o    6.489000      0.3800000       6.207000 0.5228000       6.771000      0.5516000     -0.5637000      0.7600000
  1 1 1     -19  -28   13 o    3.621000      0.6493000       3.621000 0.8841000       3.622000      0.9512000     -0.3028000E-03   1.299000
  1 1 1     -19  -28   14 o    2.952000      0.6481000       3.393000 0.8479000       2.511000      0.9803000      0.8822000       1.296000
  1 1 1     -19  -28   15 o    1.895000      0.6015000       1.726000 0.7931000       2.064000      0.9046000     -0.3384000       1.203000
  1 1 1     -19  -28   16 o    5.025000      0.5193000       4.953000 0.6897000       5.098000      0.7765000     -0.1448000       1.039000
  1 1 1     -19  -28   17 o    2.883000      0.7147000       2.629000 0.9630000       3.138000       1.056000     -0.5094000       1.429000
  1 1 1     -19  -28   18 o    4.033000      0.6476000       4.267000 0.8662000       3.799000      0.9629000      0.4680000       1.295000
  1 1 1     -19  -28   19 o    2.684000      0.6913000       2.829000 0.9695000       2.540000      0.9859000      0.2889000       1.383000
  1 1 1     -19  -28   20 o    2.325000      0.6767000       2.077000 0.9022000       2.574000       1.009000     -0.4969000       1.353000
  1 1 1     -19  -28   21 o    2.983000      0.7431000       2.691000 1.011000       3.274000       1.089000     -0.5828000       1.486000
  1 1 1     -19  -28   22 o    2.540000      0.7026000       3.014000 1.047000       2.066000      0.9369000      0.9485000       1.405000
  1 1 1     -19  -28   23 o    3.065000      0.7516000       3.085000 1.029000       3.046000       1.096000      0.3839000E-01   1.503000
  1 1 1     -19  -27    1 o    3.476000      0.4698000       4.002000 0.5724000       2.949000      0.7452000       1.053000      0.9397000
  1 1 1     -19  -27    2 o    1.781000      0.5267000       1.685000 0.7193000       1.877000      0.7697000     -0.1916000       1.053000
  1 1 1     -19  -27    3 o    4.321000      0.4244000       3.276000 0.6796000       5.366000      0.5086000      -2.090000      0.8489000
  1 1 1     -19  -27    4 o    3.416000      0.7135000       4.863000 1.132000       1.970000      0.8692000       2.893000       1.427000
  1 1 1     -19  -27    5 o    4.185000      0.7195000       3.542000 1.195000       4.828000      0.8012000      -1.286000       1.439000
  1 1 1     -19  -27    6 o    5.864000      0.6044000       5.767000 0.9783000       5.960000      0.7100000     -0.1937000       1.209000
  1 1 1     -19  -27    7 o    2.032000      0.5629000       1.503000 0.6926000       2.561000      0.8875000      -1.058000       1.126000
  1 1 1     -19  -27    8 o    3.514000      0.5665000       3.236000 0.8008000       3.792000      0.8016000     -0.5557000       1.133000
  1 1 1     -19  -27    9 o    1.938000      0.5696000       2.115000 0.8155000       1.761000      0.7955000      0.3535000       1.139000
  1 1 1     -19  -27   10 o    6.271000      0.4783000       6.270000 0.5390000       6.273000      0.7903000     -0.2914000E-02  0.9566000
  1 1 1     -19  -27   11 o    7.070000      0.4799000       6.995000 0.5846000       7.144000      0.7613000     -0.1494000      0.9599000
  1 1 1     -19  -27   12 o    5.575000      0.4178000       5.453000 0.5583000       5.698000      0.6216000     -0.2447000      0.8355000
  1 1 1     -19  -27   13 o    5.662000      0.4067000       5.707000 0.5312000       5.616000      0.6159000      0.9121000E-01  0.8133000
  1 1 1     -19  -27   14 o    5.282000      0.4559000       5.358000 0.5773000       5.205000      0.7058000      0.1532000      0.9118000
  1 1 1     -19  -27   15 o    2.556000      0.6568000       2.439000 0.8921000       2.672000      0.9643000     -0.2331000       1.314000
  1 1 1     -19  -27   16 o    2.639000      0.6680000       2.863000 0.9266000       2.415000      0.9624000      0.4482000       1.336000
  1 1 1     -19  -27   17 o    2.981000      0.6548000       3.672000 0.8872000       2.291000      0.9633000       1.381000       1.310000
  1 1 1     -19  -27   18 o    6.634000      0.4218000       6.822000 0.5445000       6.445000      0.6443000      0.3768000      0.8435000
  1 1 1     -19  -27   19 o    5.751000      0.5370000       6.319000 0.6308000       5.184000      0.8692000       1.135000       1.074000
  1 1 1     -19  -27   20 o    2.801000      0.7273000       2.409000 0.9849000       3.192000       1.071000     -0.7832000       1.455000
  1 1 1     -19  -27   21 o    2.772000      0.7180000       3.074000 1.012000       2.469000       1.019000      0.6046000       1.436000
  1 1 1     -19  -27   22 o    4.931000      0.5967000       5.534000 0.6994000       4.328000      0.9669000       1.206000       1.193000
  1 1 1     -19  -27   23 f    3.370000      0.7351000       3.564000 1.002000       3.177000       1.076000      0.3865000       1.470000
  1 1 1     -19  -27   24 o    2.557000      0.7185000       2.411000 0.9784000       2.704000       1.052000     -0.2936000       1.437000
  1 1 1     -19  -26    1 o    4.765000      0.3612000       4.157000 0.5578000       5.373000      0.4591000      -1.216000      0.7225000
  1 1 1     -19  -26    2 o    2.041000      0.5141000       2.483000 0.7346000       1.599000      0.7195000      0.8836000       1.028000
  1 1 1     -19  -26    3 o    7.215000      0.2821000       7.436000 0.3794000       6.993000      0.4177000      0.4434000      0.5643000
  1 1 1     -19  -26    4 f    1.979000      0.5548000       1.956000 0.7716000       2.002000      0.7974000     -0.4545000E-01   1.110000
  1 1 1     -19  -26    5 o    3.314000      0.5189000       3.258000 0.7244000       3.369000      0.7433000     -0.1115000       1.038000
  1 1 1     -19  -26    6 o    4.193000      0.4823000       5.001000 0.5076000       3.384000      0.8203000       1.617000      0.9647000
  1 1 1     -19  -26    7 o    6.759000      0.5593000       6.099000 0.9436000       7.420000      0.6008000      -1.320000       1.119000
  1 1 1     -19  -26    8 o    8.967000      0.4548000       8.943000 0.7023000       8.991000      0.5781000     -0.4846000E-01  0.9096000
  1 1 1     -19  -26    9 o    2.403000      0.6406000       1.754000 0.7501000       3.051000       1.039000      -1.297000       1.281000
  1 1 1     -19  -26   10 o    4.442000      0.5309000       5.237000 0.5601000       3.648000      0.9021000       1.588000       1.062000
  1 1 1     -19  -26   11 o    6.451000      0.3626000       5.724000 0.5173000       7.177000      0.5081000      -1.452000      0.7251000
  1 1 1     -19  -26   12 o    2.082000      0.6488000       1.710000 0.7723000       2.453000       1.043000     -0.7428000       1.298000
  1 1 1     -19  -26   13 o    9.967000      0.4243000       10.23000 0.4939000       9.708000      0.6900000      0.5168000      0.8485000
  1 1 1     -19  -26   14 o    8.901000      0.3206000       8.850000 0.4369000       8.952000      0.4694000     -0.1027000      0.6413000
  1 1 1     -19  -26   15 o    2.775000      0.6438000       3.356000 0.8922000       2.194000      0.9285000       1.162000       1.288000
  1 1 1     -19  -26   16 o    2.660000      0.5746000       3.643000 0.8363000       1.676000      0.7881000       1.966000       1.149000
  1 1 1     -19  -26   17 o    3.222000      0.6705000       3.577000 0.8575000       2.867000       1.031000      0.7103000       1.341000
  1 1 1     -19  -26   18 o    4.001000      0.6780000       3.362000 0.9900000       4.640000      0.9266000      -1.278000       1.356000
  1 1 1     -19  -26   19 o    2.103000      0.6464000       2.293000 0.9413000       1.912000      0.8861000      0.3818000       1.293000
  1 1 1     -19  -26   20 o    2.796000      0.7133000       3.100000 1.030000       2.492000      0.9866000      0.6079000       1.427000
  1 1 1     -19  -26   21 o    3.699000      0.6659000       4.157000 0.8472000       3.241000       1.028000      0.9158000       1.332000
  1 1 1     -19  -26   22 o    5.836000      0.4717000       5.465000 0.6505000       6.208000      0.6832000     -0.7430000      0.9433000
  1 1 1     -19  -26   23 o    2.729000      0.6930000       3.243000 0.9955000       2.215000      0.9645000       1.028000       1.386000
  1 1 1     -19  -26   24 o    2.466000      0.9722000       2.466000 0.9722000                  ?              ?              ?              ?
  1 1 1     -19  -26   25 o    3.349000      0.6569000       4.048000 0.8623000       2.650000      0.9912000       1.398000       1.314000
  1 1 1     -19  -25    1 o    11.51000      0.2415000       11.35000 0.3356000       11.66000      0.3475000     -0.3099000      0.4831000
  1 1 1     -19  -25    2 o    3.706000      0.4688000       3.581000 0.6615000       3.831000      0.6646000     -0.2508000      0.9377000
  1 1 1     -19  -25    3 f    2.685000      0.5321000       2.159000 0.7681000       3.210000      0.7366000      -1.051000       1.064000
  1 1 1     -19  -25    4 o    5.206000      0.3365000       4.971000 0.4533000       5.441000      0.4974000     -0.4704000      0.6730000
  1 1 1     -19  -25    5 o    6.473000      0.3008000       6.160000 0.4186000       6.787000      0.4321000     -0.6266000      0.6017000
  1 1 1     -19  -25    6 o    5.623000      0.3432000       5.528000 0.4755000       5.718000      0.4951000     -0.1896000      0.6865000
  1 1 1     -19  -25    7 f    2.278000      0.5969000       2.097000 0.8010000       2.460000      0.8853000     -0.3622000       1.194000
  1 1 1     -19  -25    8 o    7.407000      0.3119000       7.435000 0.4137000       7.378000      0.4668000      0.5774000E-01  0.6237000
  1 1 1     -19  -25    9 o    2.623000      0.6680000       2.155000 0.9972000       3.091000      0.8890000     -0.9363000       1.336000
  1 1 1     -19  -25   10 o    6.308000      0.5882000       5.607000 0.9922000       7.008000      0.6319000      -1.401000       1.176000
  1 1 1     -19  -25   11 o    3.118000      0.7961000       3.462000 1.205000       2.774000       1.041000      0.6887000       1.592000
  1 1 1     -19  -25   12 o    7.487000      0.3342000       7.320000 0.4547000       7.653000      0.4899000     -0.3328000      0.6684000
  1 1 1     -19  -25   13 o    9.060000      0.3035000       8.509000 0.4184000       9.611000      0.4397000      -1.102000      0.6070000
  1 1 1     -19  -25   14 o    6.235000      0.6246000       7.143000 0.5940000       5.327000       1.099000       1.816000       1.249000
  1 1 1     -19  -25   15 o    6.628000      0.5269000       6.732000 0.5947000       6.524000      0.8700000      0.2076000       1.054000
  1 1 1     -19  -25   16 o    2.134000      0.6405000       2.213000 0.8972000       2.056000      0.9143000      0.1570000       1.281000
  1 1 1     -19  -25   17 o    3.449000      0.6571000       4.217000 0.8363000       2.682000       1.014000       1.535000       1.314000
  1 1 1     -19  -25   18 o    3.192000      0.6773000       2.672000 0.9375000       3.712000      0.9778000      -1.040000       1.355000
  1 1 1     -19  -25   19 o    1.968000      0.6087000       1.374000 0.6728000       2.561000       1.015000      -1.187000       1.217000
  1 1 1     -19  -25   20 o    4.470000      0.6093000       5.302000 0.6728000       3.638000       1.016000       1.664000       1.219000
  1 1 1     -19  -25   21 o    5.939000      0.5094000       6.447000 0.5963000       5.430000      0.8261000       1.016000       1.019000
  1 1 1     -19  -25   22 o    2.399000      0.7014000       2.201000 0.9298000       2.597000       1.050000     -0.3958000       1.403000
  1 1 1     -19  -25   23 o    3.337000      0.7451000       3.479000 1.010000       3.194000       1.096000      0.2853000       1.490000
  1 1 1     -19  -25   24 f    4.637000      0.8882000       4.637000 0.8882000                  ?              ?              ?              ?
  1 1 1     -19  -25   25 o    2.267000      0.6719000       1.803000 0.8345000       2.732000       1.053000     -0.9298000       1.344000
  1 1 1     -19  -25   26 o    3.392000       1.027000                  ?       ?   3.392000       1.027000                  ?              ?
  1 1 1     -19  -24    1 o    7.440000      0.2586000       7.035000 0.3615000       7.844000      0.3700000     -0.8092000      0.5173000
  1 1 1     -19  -24    2 o    4.548000      0.3672000       4.721000 0.4491000       4.375000      0.5812000      0.3459000      0.7344000
  1 1 1     -19  -24    3 o    2.640000      0.5577000       2.332000 0.7671000       2.949000      0.8099000     -0.6169000       1.115000
  1 1 1     -19  -24    4 o    2.568000      0.5527000       2.202000 0.7751000       2.933000      0.7882000     -0.7304000       1.105000
  1 1 1     -19  -24    5 o    10.73000      0.2469000       10.65000 0.3392000       10.81000      0.3588000     -0.1684000      0.4937000
  1 1 1     -19  -24    6 f    5.229000      0.3497000       4.768000 0.4967000       5.690000      0.4924000     -0.9224000      0.6994000
  1 1 1     -19  -24    7 o    4.691000      0.4144000       4.893000 0.4989000       4.489000      0.6618000      0.4045000      0.8288000
  1 1 1     -19  -24    8 o    8.216000      0.2846000       8.421000 0.3835000       8.011000      0.4205000      0.4096000      0.5692000
  1 1 1     -19  -24    9 o    4.870000      0.3987000       4.741000 0.5285000       4.999000      0.5971000     -0.2583000      0.7974000
  1 1 1     -19  -24   10 o    3.998000      0.5136000       4.432000 0.6200000       3.564000      0.8189000      0.8677000       1.027000
  1 1 1     -19  -24   11 o    6.320000      0.5694000       7.238000 0.7900000       5.402000      0.8201000       1.835000       1.139000
  1 1 1     -19  -24   12 o    8.959000      0.4579000       8.767000 0.7093000       9.151000      0.5794000     -0.3838000      0.9159000
  1 1 1     -19  -24   13 o    13.65000      0.3440000       13.00000 0.3926000       14.30000      0.5651000      -1.301000      0.6881000
  1 1 1     -19  -24   14 o    5.356000      0.4535000       5.540000 0.5421000       5.173000      0.7271000      0.3671000      0.9069000
  1 1 1     -19  -24   15 o    5.018000      0.5234000       5.356000 0.6351000       4.680000      0.8322000      0.6760000       1.047000
  1 1 1     -19  -24   16 o    2.598000      0.7394000       2.261000 0.9182000       2.935000       1.159000     -0.6743000       1.479000
  1 1 1     -19  -24   17 o    3.636000      0.8171000       3.784000 1.012000       3.488000       1.283000      0.2962000       1.634000
  1 1 1     -19  -24   18 o    2.734000      0.6949000       2.434000 0.9353000       3.033000       1.028000     -0.5989000       1.390000
  1 1 1     -19  -24   19 o    3.115000      0.6811000       2.434000 0.9524000       3.797000      0.9740000      -1.363000       1.362000
  1 1 1     -19  -24   20 o    7.460000      0.3734000       7.668000 0.5000000       7.252000      0.5546000      0.4163000      0.7467000
  1 1 1     -19  -24   21 o    8.183000      0.3645000       8.059000 0.5031000       8.306000      0.5277000     -0.2466000      0.7291000
  1 1 1     -19  -24   22 o    3.170000      0.7179000       2.965000 0.9682000       3.375000       1.060000     -0.4100000       1.436000
  1 1 1     -19  -24   23 o    4.012000      0.6738000       4.670000 0.8010000       3.353000       1.084000       1.317000       1.348000
  1 1 1     -19  -24   24 o    3.238000      0.7138000       2.926000 1.019000       3.550000      0.9998000     -0.6239000       1.428000
  1 1 1     -19  -24   25 o    3.028000      0.7293000       3.101000 1.017000       2.954000       1.046000      0.1477000       1.459000
  1 1 1     -19  -24   26 o    3.361000      0.7239000       2.580000 1.026000       4.143000       1.021000      -1.563000       1.448000
  1 1 1     -19  -24   27 o    2.693000      0.7045000       2.262000 0.9602000       3.124000       1.031000     -0.8618000       1.409000
  1 1 1     -19  -23    1 o    8.166000      0.2482000       8.004000 0.3384000       8.328000      0.3631000     -0.3243000      0.4964000
  1 1 1     -19  -23    2 o    4.538000      0.3556000       4.001000 0.5112000       5.076000      0.4945000      -1.076000      0.7112000
  1 1 1     -19  -23    3 o    8.930000      0.2526000       8.931000 0.3358000       8.929000      0.3774000      0.2027000E-02  0.5052000
  1 1 1     -19  -23    4 f    5.523000      0.3231000       5.820000 0.4216000       5.225000      0.4896000      0.5951000      0.6461000
  1 1 1     -19  -23    5 o    9.995000      0.2485000       9.772000 0.3523000       10.22000      0.3507000     -0.4448000      0.4971000
  1 1 1     -19  -23    6 o    8.006000      0.2718000       8.125000 0.3713000       7.886000      0.3971000      0.2388000      0.5436000
  1 1 1     -19  -23    7 o    7.284000      0.2871000       7.486000 0.3760000       7.081000      0.4339000      0.4046000      0.5741000
  1 1 1     -19  -23    8 o    5.533000      0.3429000       5.241000 0.4781000       5.824000      0.4918000     -0.5830000      0.6858000
  1 1 1     -19  -23    9 o    7.122000      0.2978000       6.573000 0.4260000       7.671000      0.4162000      -1.098000      0.5956000
  1 1 1     -19  -23   10 o    3.885000      0.5126000       3.762000 0.7253000       4.009000      0.7245000     -0.2465000       1.025000
  1 1 1     -19  -23   11 o    6.322000      0.3523000       6.671000 0.4595000       5.973000      0.5342000      0.6982000      0.7046000
  1 1 1     -19  -23   12 o    3.817000      0.5166000       3.810000 0.7012000       3.824000      0.7587000     -0.1442000E-01   1.033000
  1 1 1     -19  -23   13 o    4.183000      0.7262000       4.005000 1.115000       4.360000      0.9306000     -0.3548000       1.452000
  1 1 1     -19  -23   14 o    14.80000      0.4171000       14.33000 0.6077000       15.27000      0.5714000     -0.9372000      0.8341000
  1 1 1     -19  -23   15 o    12.40000      0.2911000       12.16000 0.3986000       12.65000      0.4243000     -0.4972000      0.5822000
  1 1 1     -19  -23   16 o    6.644000      0.3939000       7.347000 0.4871000       5.941000      0.6192000       1.406000      0.7878000
  1 1 1     -19  -23   17 o    4.789000      0.7207000       3.640000 0.9852000       5.938000       1.052000      -2.298000       1.441000
  1 1 1     -19  -23   18 o    5.323000      0.7010000       5.606000 0.7308000       5.040000       1.197000      0.5659000       1.402000
  1 1 1     -19  -23   19 o    5.740000      0.4820000       5.864000 0.6289000       5.617000      0.7306000      0.2465000      0.9640000
  1 1 1     -19  -23   20 o    4.830000      0.5692000       4.391000 0.8308000       5.269000      0.7783000     -0.8783000       1.138000
  1 1 1     -19  -23   21 o    6.990000      0.4168000       7.567000 0.5220000       6.413000      0.6499000       1.154000      0.8336000
  1 1 1     -19  -23   22 o    3.441000      0.6400000       4.534000 0.8095000       2.348000      0.9915000       2.186000       1.280000
  1 1 1     -19  -23   23 o    4.398000      0.6807000       4.221000 0.9394000       4.575000      0.9854000     -0.3540000       1.361000
  1 1 1     -19  -23   24 o    3.538000      0.6977000       4.280000 0.9218000       2.796000       1.048000       1.483000       1.395000
  1 1 1     -19  -23   25 f    3.408000      0.7129000       3.941000 0.9496000       2.874000       1.063000       1.068000       1.426000
  1 1 1     -19  -23   26 o    5.013000      0.5600000       5.431000 0.7133000       4.596000      0.8636000      0.8351000       1.120000
  1 1 1     -19  -23   27 o    2.922000      0.7184000       3.111000 1.029000       2.733000       1.002000      0.3776000       1.437000
  1 1 1     -19  -23   28 o    2.570000      0.7011000       2.576000 1.001000       2.564000      0.9822000      0.1187000E-01   1.402000
  1 1 1     -19  -22    1 o    4.813000      0.3496000       5.223000 0.3997000       4.403000      0.5737000      0.8206000      0.6992000
  1 1 1     -19  -22    2 o    4.463000      0.3707000       4.525000 0.4849000       4.401000      0.5608000      0.1236000      0.7414000
  1 1 1     -19  -22    3 f    12.53000      0.2494000       12.55000 0.3486000       12.52000      0.3568000      0.3367000E-01  0.4988000
  1 1 1     -19  -22    4 o    3.613000      0.4806000       3.680000 0.6397000       3.545000      0.7174000      0.1343000      0.9612000
  1 1 1     -19  -22    5 o    1.311000      0.4401000       1.225000 0.5816000       1.397000      0.6606000     -0.1718000      0.8802000
  1 1 1     -19  -22    6 o    9.256000      0.2542000       9.025000 0.3487000       9.487000      0.3700000     -0.4613000      0.5084000
  1 1 1     -19  -22    7 o    3.993000      0.4393000       4.278000 0.5540000       3.708000      0.6820000      0.5701000      0.8786000
  1 1 1     -19  -22    8 o    3.361000      0.5202000       3.296000 0.7329000       3.426000      0.7384000     -0.1300000       1.040000
  1 1 1     -19  -22    9 o    4.079000      0.4674000       4.091000 0.6248000       4.067000      0.6955000      0.2350000E-01  0.9349000
  1 1 1     -19  -22   10 o    6.296000      0.3557000       6.833000 0.4478000       5.759000      0.5527000       1.074000      0.7113000
  1 1 1     -19  -22   11 o    1.636000      0.5270000       1.369000 0.6565000       1.903000      0.8247000     -0.5344000       1.054000
  1 1 1     -19  -22   12 o    3.134000      0.5967000       2.791000 0.8580000       3.478000      0.8295000     -0.6873000       1.193000
  1 1 1     -19  -22   13 o    6.238000      0.3783000       5.893000 0.5485000       6.584000      0.5212000     -0.6910000      0.7567000
  1 1 1     -19  -22   14 o    12.80000      0.2846000       12.65000 0.3964000       12.95000      0.4085000     -0.3055000      0.5692000
  1 1 1     -19  -22   15 o    3.582000      0.8246000       4.018000 1.213000       3.146000       1.118000      0.8725000       1.649000
  1 1 1     -19  -22   16 o    3.013000      0.6597000       2.979000 0.9384000       3.047000      0.9276000     -0.6802000E-01   1.319000
  1 1 1     -19  -22   17 o    2.063000      0.5949000       2.380000 0.8848000       1.747000      0.7953000      0.6331000       1.190000
  1 1 1     -19  -22   18 o    8.821000      0.4322000       8.300000 0.4213000       9.341000      0.7547000      -1.041000      0.8643000
  1 1 1     -19  -22   19 o    3.606000      0.7222000       4.733000 0.9276000       2.479000       1.107000       2.253000       1.444000
  1 1 1     -19  -22   20 o    2.185000      0.6616000       2.014000 0.8872000       2.356000      0.9817000     -0.3423000       1.323000
  1 1 1     -19  -22   21 o    9.215000      0.3636000       9.572000 0.4943000       8.859000      0.5333000      0.7133000      0.7272000
  1 1 1     -19  -22   22 o    5.034000      0.5567000       4.775000 0.7924000       5.293000      0.7821000     -0.5178000       1.113000
  1 1 1     -19  -22   23 o    2.181000      0.6689000       2.299000 0.9538000       2.064000      0.9379000      0.2357000       1.338000
  1 1 1     -19  -22   24 o    2.222000      0.6739000       2.032000 0.9049000       2.411000      0.9988000     -0.3787000       1.348000
  1 1 1     -19  -22   25 o    5.268000      0.7248000       5.268000 0.7248000                  ?              ?              ?              ?
  1 1 1     -19  -22   26 o    2.702000      0.6765000       3.400000 1.009000       2.004000      0.9017000       1.396000       1.353000
  1 1 1     -19  -22   27 o    2.527000      0.7238000       2.767000 1.075000       2.287000      0.9694000      0.4800000       1.448000
  1 1 1     -19  -22   28 f    2.261000      0.6415000       2.430000 0.9296000       2.092000      0.8843000      0.3378000       1.283000
  1 1 1     -19  -21    1 o    3.889000      0.3832000       4.067000 0.4983000       3.711000      0.5824000      0.3563000      0.7665000
  1 1 1     -19  -21    2 o    5.097000      0.3204000       5.606000 0.3881000       4.588000      0.5099000       1.018000      0.6408000
  1 1 1     -19  -21    3 o    2.351000      0.5400000       1.737000 0.7082000       2.965000      0.8153000      -1.229000       1.080000
  1 1 1     -19  -21    4 o    10.76000      0.2416000       10.94000 0.3344000       10.58000      0.3488000      0.3627000      0.4832000
  1 1 1     -19  -21    5 o    9.303000      0.2548000       9.109000 0.3538000       9.497000      0.3668000     -0.3883000      0.5097000
  1 1 1     -19  -21    6 o    7.234000      0.2962000       7.314000 0.4028000       7.154000      0.4344000      0.1595000      0.5925000
  1 1 1     -19  -21    7 o    4.966000      0.3827000       5.006000 0.5109000       4.926000      0.5698000      0.7961000E-01  0.7653000
  1 1 1     -19  -21    8 o    6.319000      0.3259000       5.890000 0.4678000       6.748000      0.4539000     -0.8582000      0.6518000
  1 1 1     -19  -21    9 o    12.60000      0.2633000       12.40000 0.3648000       12.79000      0.3798000     -0.3903000      0.5266000
  1 1 1     -19  -21   10 o    10.91000      0.2559000       10.87000 0.3582000       10.95000      0.3654000     -0.7859000E-01  0.5117000
  1 1 1     -19  -21   11 o    9.165000      0.2767000       9.468000 0.3807000       8.862000      0.4017000      0.6060000      0.5535000
  1 1 1     -19  -21   12 o    11.46000      0.2691000       11.05000 0.3721000       11.87000      0.3889000     -0.8225000      0.5383000
  1 1 1     -19  -21   13 o    6.341000      0.3411000       6.086000 0.4914000       6.596000      0.4732000     -0.5098000      0.6822000
  1 1 1     -19  -21   14 f    1.694000      0.5338000       1.340000 0.6436000       2.048000      0.8518000     -0.7086000       1.068000
  1 1 1     -19  -21   15 o    6.529000      0.3672000       6.540000 0.5059000       6.519000      0.5324000      0.2146000E-01  0.7345000
  1 1 1     -19  -21   16 o    4.438000      0.7131000       3.183000 1.161000       5.694000      0.8290000      -2.511000       1.426000
  1 1 1     -19  -21   17 o    5.532000      0.7134000       6.248000 0.9727000       4.816000       1.044000       1.432000       1.427000
  1 1 1     -19  -21   18 o    9.940000      0.3276000       10.40000 0.4351000       9.485000      0.4900000      0.9101000      0.6553000
  1 1 1     -19  -21   19 o    4.518000      0.5677000       4.147000 0.8765000       4.889000      0.7218000     -0.7422000       1.135000
  1 1 1     -19  -21   20 o    3.877000      0.8278000       2.958000 1.089000       4.796000       1.247000      -1.839000       1.656000
  1 1 1     -19  -21   21 o    2.832000      0.6884000       3.427000 0.9813000       2.237000      0.9657000       1.190000       1.377000
  1 1 1     -19  -21   22 o    4.160000      0.6875000       3.943000 0.9683000       4.378000      0.9761000     -0.4344000       1.375000
  1 1 1     -19  -21   23 o    6.274000      0.4421000       5.967000 0.6245000       6.582000      0.6258000     -0.6149000      0.8841000
  1 1 1     -19  -21   24 o    3.621000      0.6853000       4.285000 0.8530000       2.957000       1.073000       1.328000       1.371000
  1 1 1     -19  -21   25 o    4.782000      0.8942000       4.782000 0.8942000                  ?              ?              ?              ?
  1 1 1     -19  -21   26 o    3.725000      0.7160000       3.543000 1.010000       3.906000       1.016000     -0.3626000       1.432000
  1 1 1     -19  -21   27 o    3.536000       1.055000                  ?       ?   3.536000       1.055000                  ?              ?
  1 1 1     -19  -21   28 o    2.964000      0.6799000       3.634000 0.9971000       2.294000      0.9245000       1.340000       1.360000
  1 1 1     -19  -21   29 o    1.942000      0.6166000       2.133000 0.9271000       1.751000      0.8132000      0.3814000       1.233000
  1 1 1     -19  -20    1 o    2.064000      0.4498000       1.286000 0.5865000       2.842000      0.6820000      -1.557000      0.8995000
  1 1 1     -19  -20    2 o    1.967000      0.5251000       1.911000 0.7158000       2.023000      0.7685000     -0.1119000       1.050000
  1 1 1     -19  -20    3 o    9.732000      0.2331000       9.372000 0.3260000       10.09000      0.3332000     -0.7197000      0.4661000
  1 1 1     -19  -20    4 o    12.66000      0.2468000       12.34000 0.3459000       12.98000      0.3523000     -0.6409000      0.4937000
  1 1 1     -19  -20    5 o    14.82000      0.2656000       15.00000 0.3751000       14.64000      0.3763000      0.3636000      0.5313000
  1 1 1     -19  -20    6 o    8.514000      0.2661000       8.849000 0.3679000       8.178000      0.3847000      0.6712000      0.5323000
  1 1 1     -19  -20    7 o    6.900000      0.3015000       7.054000 0.4239000       6.746000      0.4287000      0.3087000      0.6029000
  1 1 1     -19  -20    8 o    3.920000      0.4742000       4.105000 0.6360000       3.736000      0.7036000      0.3690000      0.9484000
  1 1 1     -19  -20    9 f    5.910000      0.3394000       5.862000 0.4623000       5.958000      0.4970000     -0.9649000E-01  0.6788000
  1 1 1     -19  -20   10 o    6.040000      0.3438000       6.602000 0.4286000       5.479000      0.5377000       1.123000      0.6877000
  1 1 1     -19  -20   11 o    9.100000      0.2706000       9.479000 0.3682000       8.720000      0.3967000      0.7589000      0.5412000
  1 1 1     -19  -20   12 f    5.389000      0.3851000       5.287000 0.5284000       5.491000      0.5603000     -0.2043000      0.7701000
  1 1 1     -19  -20   13 o    4.472000      0.4627000       3.980000 0.6994000       4.963000      0.6059000     -0.9827000      0.9254000
  1 1 1     -19  -20   14 o    3.141000      0.6284000       3.284000 0.8550000       2.998000      0.9212000      0.2859000       1.257000
  1 1 1     -19  -20   15 o    1.821000      0.5699000       1.780000 0.7910000       1.862000      0.8207000     -0.8178000E-01   1.140000
  1 1 1     -19  -20   16 o    4.857000      0.4988000       5.494000 0.5872000       4.220000      0.8064000       1.275000      0.9975000
  1 1 1     -19  -20   17 o    4.751000      0.7314000       5.406000 1.058000       4.095000       1.010000       1.311000       1.463000
  1 1 1     -19  -20   18 o    6.928000      0.5279000       6.839000 0.7972000       7.017000      0.6922000     -0.1780000       1.056000
  1 1 1     -19  -20   19 o    12.48000      0.3006000       12.66000 0.4179000       12.29000      0.4321000      0.3687000      0.6012000
  1 1 1     -19  -20   20 o    5.690000      0.4795000       5.635000 0.6820000       5.746000      0.6743000     -0.1109000      0.9591000
  1 1 1     -19  -20   21 o    6.138000      0.6581000       5.632000 0.8705000       6.643000      0.9873000      -1.011000       1.316000
  1 1 1     -19  -20   22 o    6.675000      0.4370000       6.293000 0.6269000       7.056000      0.6088000     -0.7627000      0.8739000
  1 1 1     -19  -20   23 o    3.230000      0.7185000       2.843000 0.9843000       3.617000       1.047000     -0.7744000       1.437000
  1 1 1     -19  -20   24 o    5.540000      0.5442000       4.681000 0.8615000       6.399000      0.6652000      -1.717000       1.088000
  1 1 1     -19  -20   25 o    2.506000      0.7233000       2.688000 1.036000       2.324000       1.010000      0.3645000       1.447000
  1 1 1     -19  -20   26 o    2.908000      0.7476000       2.447000 1.005000       3.369000       1.107000     -0.9219000       1.495000
  1 1 1     -19  -20   27 o    6.348000      0.4413000       6.225000 0.5884000       6.471000      0.6579000     -0.2458000      0.8826000
  1 1 1     -19  -20   28 o    5.104000      0.5852000       5.642000 0.7421000       4.566000      0.9051000       1.076000       1.170000
  1 1 1     -19  -20   29 o    2.471000      0.6530000       2.955000 0.9847000       1.988000      0.8580000      0.9669000       1.306000
  1 1 1     -19  -19    1 o    9.309000      0.3088000       9.257000 0.4233000       9.360000      0.4499000     -0.1030000      0.6177000
  1 1 1     -19  -19    2 o    3.613000      0.4237000       3.460000 0.5664000       3.767000      0.6303000     -0.3076000      0.8475000
  1 1 1     -19  -19    3 o    6.779000      0.2617000       6.434000 0.3685000       7.125000      0.3716000     -0.6919000      0.5234000
  1 1 1     -19  -19    4 o    4.611000      0.3514000       4.877000 0.4559000       4.344000      0.5349000      0.5329000      0.7028000
  1 1 1     -19  -19    5 o    4.469000      0.3826000       3.988000 0.5688000       4.949000      0.5119000     -0.9615000      0.7652000
  1 1 1     -19  -19    6 o    6.004000      0.3295000       6.052000 0.4420000       5.956000      0.4888000      0.9590000E-01  0.6590000
  1 1 1     -19  -19    7 o    9.913000      0.2555000       9.984000 0.3568000       9.842000      0.3659000      0.1417000      0.5110000
  1 1 1     -19  -19    8 o    7.051000      0.3039000       7.609000 0.3915000       6.493000      0.4649000       1.116000      0.6078000
  1 1 1     -19  -19    9 o    2.741000      0.5648000       3.047000 0.7455000       2.435000      0.8486000      0.6121000       1.130000
  1 1 1     -19  -19   10 o    10.94000      0.2576000       10.87000 0.3623000       11.02000      0.3662000     -0.1508000      0.5151000
  1 1 1     -19  -19   11 f    12.95000      0.2658000       13.15000 0.3752000       12.75000      0.3766000      0.3998000      0.5316000
  1 1 1     -19  -19   12 o    5.850000      0.3486000       5.421000 0.5038000       6.279000      0.4821000     -0.8583000      0.6973000
  1 1 1     -19  -19   13 o    15.93000      0.2886000       15.40000 0.4008000       16.46000      0.4152000      -1.056000      0.5771000
  1 1 1     -19  -19   14 o    15.13000      0.2811000       15.17000 0.3944000       15.09000      0.4007000      0.8296000E-01  0.5622000
  1 1 1     -19  -19   15 o    8.656000      0.3045000       8.593000 0.4249000       8.719000      0.4363000     -0.1266000      0.6090000
  1 1 1     -19  -19   16 o    3.255000      0.5912000       4.146000 0.7704000       2.364000      0.8970000       1.782000       1.182000
  1 1 1     -19  -19   17 o    9.038000      0.3098000       8.953000 0.4339000       9.123000      0.4424000     -0.1700000      0.6196000
  1 1 1     -19  -19   18 o    3.734000      0.7296000       5.099000 1.055000       2.369000       1.009000       2.730000       1.459000
  1 1 1     -19  -19   19 o    4.637000      0.8207000       5.142000 1.160000       4.132000       1.162000       1.010000       1.641000
  1 1 1     -19  -19   20 f    2.872000      0.6839000       3.114000 0.9673000       2.630000      0.9672000      0.4839000       1.368000
  1 1 1     -19  -19   21 o    6.460000      0.5741000       6.632000 0.5202000       6.288000       1.024000      0.3447000       1.148000
  1 1 1     -19  -19   22 o    7.468000      0.5622000       7.015000 0.7463000       7.920000      0.8411000     -0.9052000       1.124000
  1 1 1     -19  -19   23 o    3.082000      0.6639000       2.423000 0.9331000       3.740000      0.9447000      -1.317000       1.328000
  1 1 1     -19  -19   24 f    8.072000      0.4081000       8.166000 0.5505000       7.977000      0.6027000      0.1890000      0.8163000
  1 1 1     -19  -19   25 f    4.555000      0.6743000       4.813000 0.8639000       4.296000       1.036000      0.5163000       1.349000
  1 1 1     -19  -19   26 o    1.769000      0.5866000       1.883000 0.8574000       1.655000      0.8007000      0.2280000       1.173000
  1 1 1     -19  -19   27 o    4.812000      0.6035000       5.217000 0.7919000       4.406000      0.9108000      0.8108000       1.207000
  1 1 1     -19  -19   28 o    5.301000      0.5576000       5.245000 0.8197000       5.357000      0.7561000     -0.1121000       1.115000
  1 1 1     -19  -19   29 o    3.637000      0.6662000       3.056000 1.012000       4.218000      0.8670000      -1.162000       1.332000
  1 1 1     -19  -19   30 o    4.757000      0.5782000       4.012000 0.9451000       5.503000      0.6665000      -1.491000       1.156000
  1 1 1     -19  -18    1 o    7.851000      0.2346000       7.593000 0.3295000       8.110000      0.3342000     -0.5165000      0.4693000
  1 1 1     -19  -18    2 o    5.800000      0.3662000       5.584000 0.4423000       6.017000      0.5838000     -0.4323000      0.7325000
  1 1 1     -19  -18    3 f    6.141000      0.3736000       6.759000 0.4430000       5.523000      0.6017000       1.236000      0.7473000
  1 1 1     -19  -18    4 o    9.246000      0.2459000       8.942000 0.3389000       9.551000      0.3565000     -0.6093000      0.4919000
  1 1 1     -19  -18    5 o    10.84000      0.2437000       11.21000 0.3373000       10.47000      0.3520000      0.7360000      0.4875000
  1 1 1     -19  -18    6 o    8.446000      0.2615000       8.562000 0.3584000       8.331000      0.3809000      0.2307000      0.5230000
  1 1 1     -19  -18    7 o    5.877000      0.3201000       5.967000 0.4404000       5.786000      0.4646000      0.1807000      0.6402000
  1 1 1     -19  -18    8 o    8.714000      0.2693000       8.458000 0.3783000       8.971000      0.3835000     -0.5128000      0.5387000
  1 1 1     -19  -18    9 o    5.224000      0.3658000       5.247000 0.5111000       5.202000      0.5236000      0.4517000E-01  0.7317000
  1 1 1     -19  -18   10 o    7.440000      0.2986000       7.605000 0.4134000       7.274000      0.4310000      0.3313000      0.5972000
  1 1 1     -19  -18   11 f    6.106000      0.3383000       6.497000 0.4478000       5.715000      0.5071000      0.7817000      0.6765000
  1 1 1     -19  -18   12 o    4.391000      0.4460000       4.798000 0.5848000       3.983000      0.6736000      0.8149000      0.8921000
  1 1 1     -19  -18   13 o    18.72000      0.3073000       18.68000 0.4307000       18.75000      0.4383000     -0.7150000E-01  0.6146000
  1 1 1     -19  -18   14 f    10.90000      0.2752000       10.99000 0.3807000       10.81000      0.3977000      0.1823000      0.5505000
  1 1 1     -19  -18   15 o    7.706000      0.3209000       7.548000 0.4535000       7.865000      0.4540000     -0.3177000      0.6417000
  1 1 1     -19  -18   16 f    5.635000      0.3951000       5.945000 0.5443000       5.326000      0.5727000      0.6187000      0.7901000
  1 1 1     -19  -18   17 o    12.18000      0.2807000       12.49000 0.3891000       11.86000      0.4047000      0.6300000      0.5614000
  1 1 1     -19  -18   18 o    5.835000      0.3900000       5.669000 0.5458000       6.001000      0.5573000     -0.3322000      0.7801000
  1 1 1     -19  -18   19 f    4.732000      0.7341000       6.003000 0.9187000       3.461000       1.145000       2.542000       1.468000
  1 1 1     -19  -18   20 o    4.620000      0.5018000       4.212000 0.7878000       5.028000      0.6217000     -0.8159000       1.004000
  1 1 1     -19  -18   21 o    5.927000      0.4739000       6.292000 0.6157000       5.562000      0.7206000      0.7305000      0.9478000
  1 1 1     -19  -18   22 o    7.860000      0.5601000       8.170000 0.6851000       7.551000      0.8862000      0.6180000       1.120000
  1 1 1     -19  -18   23 o    3.837000      0.7734000       2.467000 1.028000       5.206000       1.156000      -2.739000       1.547000
  1 1 1     -19  -18   24 o    2.233000      0.6404000       2.843000 1.014000       1.624000      0.7821000       1.220000       1.281000
  1 1 1     -19  -18   25 o    8.089000      0.4033000       7.775000 0.5575000       8.402000      0.5828000     -0.6272000      0.8065000
  1 1 1     -19  -18   26 o    4.698000      0.6741000       3.838000 0.9851000       5.558000      0.9204000      -1.721000       1.348000
  1 1 1     -19  -18   27 o    2.902000      0.7423000       2.507000 1.015000       3.298000       1.083000     -0.7904000       1.485000
  1 1 1     -19  -18   28 o    2.179000      0.6528000       2.132000 0.9277000       2.226000      0.9186000     -0.9470000E-01   1.306000
  1 1 1     -19  -18   29 o    2.251000      0.6654000       1.945000 0.8827000       2.557000      0.9960000     -0.6123000       1.331000
  1 1 1     -19  -18   30 o    3.793000      0.6559000       4.447000 0.8986000       3.139000      0.9557000       1.308000       1.312000
  1 1 1     -19  -17    1 o    3.912000      0.3569000       3.969000 0.4875000       3.854000      0.5213000      0.1154000      0.7138000
  1 1 1     -19  -17    2 o    2.573000      0.5075000       2.447000 0.7341000       2.698000      0.7010000     -0.2506000       1.015000
  1 1 1     -19  -17    3 o    7.321000      0.3304000       6.893000 0.4483000       7.749000      0.4856000     -0.8568000      0.6609000
  1 1 1     -19  -17    4 o    1.862000      0.5566000       1.877000 0.7460000       1.846000      0.8263000      0.3091000E-01   1.113000
  1 1 1     -19  -17    5 o    4.344000      0.3948000       4.088000 0.5685000       4.601000      0.5481000     -0.5130000      0.7896000
  1 1 1     -19  -17    6 o    6.568000      0.2851000       6.635000 0.3849000       6.501000      0.4206000      0.1340000      0.5702000
  1 1 1     -19  -17    7 o    6.459000      0.2927000       6.450000 0.3988000       6.467000      0.4286000     -0.1701000E-01  0.5855000
  1 1 1     -19  -17    8 o    6.852000      0.2857000       6.738000 0.3953000       6.965000      0.4125000     -0.2266000      0.5714000
  1 1 1     -19  -17    9 o    3.870000      0.4636000       4.145000 0.5848000       3.594000      0.7196000      0.5505000      0.9273000
  1 1 1     -19  -17   10 o    8.465000      0.2729000       8.452000 0.3795000       8.478000      0.3922000     -0.2626000E-01  0.5457000
  1 1 1     -19  -17   11 o    6.517000      0.3162000       6.566000 0.4180000       6.467000      0.4744000      0.9898000E-01  0.6323000
  1 1 1     -19  -17   12 o    12.53000      0.2694000       12.37000 0.3792000       12.70000      0.3827000     -0.3230000      0.5388000
  1 1 1     -19  -17   13 o    3.429000      0.5355000       3.076000 0.7962000       3.782000      0.7164000     -0.7059000       1.071000
  1 1 1     -19  -17   14 o    8.933000      0.2777000       8.853000 0.3807000       9.013000      0.4043000     -0.1607000      0.5553000
  1 1 1     -19  -17   15 o    11.96000      0.2744000       12.24000 0.3825000       11.69000      0.3935000      0.5435000      0.5488000
  1 1 1     -19  -17   16 o    6.840000      0.3519000       6.556000 0.5032000       7.124000      0.4920000     -0.5681000      0.7037000
  1 1 1     -19  -17   17 o    3.749000      0.5779000       4.369000 0.7195000       3.130000      0.9044000       1.239000       1.156000
  1 1 1     -19  -17   18 o    10.09000      0.2952000       10.28000 0.4047000       9.912000      0.4298000      0.3653000      0.5904000
  1 1 1     -19  -17   19 o    3.298000      0.6373000       3.972000 0.8370000       2.625000      0.9612000       1.347000       1.275000
  1 1 1     -19  -17   20 o    6.553000      0.5931000       6.390000 0.9014000       6.715000      0.7712000     -0.3253000       1.186000
  1 1 1     -19  -17   21 o    10.78000      0.3172000       10.57000 0.4428000       10.99000      0.4544000     -0.4122000      0.6344000
  1 1 1     -19  -17   22 o    7.085000      0.4035000       7.600000 0.5278000       6.570000      0.6104000       1.030000      0.8070000
  1 1 1     -19  -17   23 o    3.886000      0.8394000       3.220000 1.128000       4.552000       1.244000      -1.333000       1.679000
  1 1 1     -19  -17   24 o    3.416000      0.7180000       3.932000 0.9593000       2.901000       1.068000       1.031000       1.436000
  1 1 1     -19  -17   25 o    2.151000      0.6621000       1.862000 0.8571000       2.440000       1.009000     -0.5777000       1.324000
  1 1 1     -19  -17   26 o    6.021000      0.6775000       6.021000 0.6775000                  ?              ?              ?              ?
  1 1 1     -19  -17   27 o    4.896000      0.6025000       4.963000 0.8451000       4.828000      0.8589000      0.1349000       1.205000
  1 1 1     -19  -17   28 o    2.557000      0.9827000                  ?       ?   2.557000      0.9827000                  ?              ?
  1 1 1     -19  -17   29 o    5.629000      0.4855000       5.684000 0.7249000       5.574000      0.6461000      0.1097000      0.9711000
  1 1 1     -19  -17   30 o    2.399000      0.6680000       2.070000 0.9029000       2.728000      0.9847000     -0.6581000       1.336000
  1 1 1     -19  -17   31 o    3.160000      0.6822000       3.581000 0.9730000       2.739000      0.9565000      0.8414000       1.364000
  1 1 1     -19  -16    1 o    7.047000      0.3571000       7.300000 0.5447000       6.795000      0.4620000      0.5049000      0.7143000
  1 1 1     -19  -16    2 o    1.547000      0.4596000       1.793000 0.6943000       1.302000      0.6024000      0.4910000      0.9193000
  1 1 1     -19  -16    3 o    7.117000      0.2588000       7.587000 0.3405000       6.647000      0.3897000      0.9402000      0.5175000
  1 1 1     -19  -16    4 f    5.002000      0.3045000       4.888000 0.4394000       5.116000      0.4217000     -0.2288000      0.6090000
  1 1 1     -19  -16    5 o    4.431000      0.4639000       4.323000 0.6292000       4.539000      0.6818000     -0.2159000      0.9277000
  1 1 1     -19  -16    6 o    6.125000      0.2990000       6.293000 0.4090000       5.958000      0.4363000      0.3357000      0.5980000
  1 1 1     -19  -16    7 o    3.981000      0.4191000       4.022000 0.5686000       3.940000      0.6157000      0.8201000E-01  0.8381000
  1 1 1     -19  -16    8 o    6.528000      0.2934000       6.537000 0.4156000       6.520000      0.4143000      0.1657000E-01  0.5868000
  1 1 1     -19  -16    9 o    3.717000      0.4690000       3.591000 0.6674000       3.844000      0.6591000     -0.2533000      0.9379000
  1 1 1     -19  -16   10 o    8.153000      0.2794000       8.421000 0.3895000       7.885000      0.4006000      0.5359000      0.5588000
  1 1 1     -19  -16   11 o    4.442000      0.4373000       4.360000 0.6393000       4.524000      0.5967000     -0.1640000      0.8745000
  1 1 1     -19  -16   12 o    3.311000      0.5560000       3.040000 0.8264000       3.583000      0.7442000     -0.5426000       1.112000
  1 1 1     -19  -16   13 o    2.311000      0.5646000       1.738000 0.7461000       2.884000      0.8475000      -1.147000       1.129000
  1 1 1     -19  -16   14 o    7.962000      0.2987000       8.149000 0.4041000       7.774000      0.4400000      0.3756000      0.5974000
  1 1 1     -19  -16   15 f    10.22000      0.2732000       10.24000 0.3892000       10.19000      0.3834000      0.4349000E-01  0.5463000
  1 1 1     -19  -16   16 o    12.96000      0.2734000       13.02000 0.3830000       12.90000      0.3902000      0.1121000      0.5467000
  1 1 1     -19  -16   17 o    4.395000      0.5000000       3.878000 0.7566000       4.911000      0.6539000      -1.032000      0.9999000
  1 1 1     -19  -16   18 o    10.48000      0.2955000       10.10000 0.4152000       10.86000      0.4205000     -0.7551000      0.5910000
  1 1 1     -19  -16   19 o    10.05000      0.3029000       10.29000 0.4202000       9.809000      0.4364000      0.4849000      0.6058000
  1 1 1     -19  -16   20 o    2.289000      0.6963000       1.922000 0.9032000       2.657000       1.060000     -0.7355000       1.393000
  1 1 1     -19  -16   21 o    4.659000      0.7860000       5.222000 1.101000       4.097000       1.123000       1.125000       1.572000
  1 1 1     -19  -16   22 o    13.01000      0.3109000       12.98000 0.4403000       13.04000      0.4390000     -0.6605000E-01  0.6217000
  1 1 1     -19  -16   23 o    10.17000      0.4203000       10.08000 0.4356000       10.26000      0.7189000     -0.1811000      0.8406000
  1 1 1     -19  -16   24 o    2.442000      0.7421000       2.482000 1.029000       2.401000       1.070000      0.8105000E-01   1.484000
  1 1 1     -19  -16   25 o    2.620000      0.7089000       2.764000 1.011000       2.476000      0.9943000      0.2872000       1.418000
  1 1 1     -19  -16   26 o    6.427000      0.4477000       7.687000 0.5582000       5.168000      0.7000000       2.519000      0.8954000
  1 1 1     -19  -16   27 o    8.553000      0.3851000       8.164000 0.5501000       8.942000      0.5390000     -0.7781000      0.7702000
  1 1 1     -19  -16   28 o    6.115000      0.6612000                  ?       ?   6.115000      0.6612000                  ?              ?
  1 1 1     -19  -16   29 o    5.065000      0.7222000       5.274000 1.215000       4.856000      0.7814000      0.4180000       1.444000
  1 1 1     -19  -16   30 o    2.464000      0.6735000       2.846000 1.003000       2.082000      0.8988000      0.7643000       1.347000
  1 1 1     -19  -16   31 o    2.487000      0.6634000       2.842000 0.9812000       2.133000      0.8932000      0.7086000       1.327000
  1 1 1     -19  -15    1 o    4.257000      0.3369000       3.950000 0.4891000       4.564000      0.4635000     -0.6141000      0.6738000
  1 1 1     -19  -15    2 o    5.409000      0.4212000       5.300000 0.6423000       5.517000      0.5452000     -0.2177000      0.8425000
  1 1 1     -19  -15    3 o    9.140000      0.3384000       8.546000 0.5129000       9.734000      0.4417000      -1.189000      0.6769000
  1 1 1     -19  -15    4 f    5.652000      0.2929000       5.992000 0.3870000       5.313000      0.4399000      0.6789000      0.5859000
  1 1 1     -19  -15    5 o    1.997000      0.5240000       1.904000 0.7412000       2.090000      0.7409000     -0.1860000       1.048000
  1 1 1     -19  -15    6 o    8.308000      0.3427000       8.450000 0.4568000       8.165000      0.5109000      0.2848000      0.6854000
  1 1 1     -19  -15    7 o    10.21000      0.2482000       10.19000 0.3413000       10.24000      0.3606000     -0.5295000E-01  0.4965000
  1 1 1     -19  -15    8 o    9.043000      0.2463000       9.134000 0.3399000       8.951000      0.3566000      0.1830000      0.4926000
  1 1 1     -19  -15    9 o    8.723000      0.2622000       8.910000 0.3634000       8.536000      0.3781000      0.3737000      0.5245000
  1 1 1     -19  -15   10 o    1.949000      0.5431000       2.038000 0.7773000       1.859000      0.7588000      0.1790000       1.086000
  1 1 1     -19  -15   11 o    4.920000      0.3826000       5.095000 0.5221000       4.745000      0.5595000      0.3504000      0.7652000
  1 1 1     -19  -15   12 f    12.32000      0.2615000       12.55000 0.3689000       12.10000      0.3707000      0.4462000      0.5230000
  1 1 1     -19  -15   13 o    8.013000      0.2918000       7.976000 0.4087000       8.049000      0.4166000     -0.7225000E-01  0.5836000
  1 1 1     -19  -15   14 o    6.105000      0.3386000       5.996000 0.4800000       6.215000      0.4777000     -0.2185000      0.6772000
  1 1 1     -19  -15   15 o    8.198000      0.2927000       8.355000 0.4033000       8.042000      0.4244000      0.3129000      0.5855000
  1 1 1     -19  -15   16 o    5.632000      0.3809000       5.786000 0.5156000       5.477000      0.5609000      0.3085000      0.7619000
  1 1 1     -19  -15   17 o    5.749000      0.3850000       5.798000 0.5445000       5.701000      0.5445000      0.9622000E-01  0.7701000
  1 1 1     -19  -15   18 o    3.825000      0.5781000       3.347000 0.8787000       4.302000      0.7516000     -0.9550000       1.156000
  1 1 1     -19  -15   19 o    10.48000      0.2998000       10.68000 0.4157000       10.29000      0.4321000      0.3953000      0.5996000
  1 1 1     -19  -15   20 o    3.879000      0.5851000       3.631000 0.8549000       4.127000      0.7991000     -0.4961000       1.170000
  1 1 1     -19  -15   21 o    3.519000      0.8233000       4.167000 1.202000       2.872000       1.125000       1.295000       1.647000
  1 1 1     -19  -15   22 o    13.53000      0.3079000       13.20000 0.4308000       13.86000      0.4399000     -0.6636000      0.6157000
  1 1 1     -19  -15   23 o    6.286000      0.4354000       6.776000 0.5698000       5.797000      0.6586000      0.9794000      0.8709000
  1 1 1     -19  -15   24 o    3.187000      0.7906000       2.249000 0.9908000       4.124000       1.232000      -1.874000       1.581000
  1 1 1     -19  -15   25 o    3.557000      0.6651000       2.754000 0.9944000       4.360000      0.8837000      -1.606000       1.330000
  1 1 1     -19  -15   26 o    3.449000      0.6630000       4.377000 0.8678000       2.521000       1.003000       1.856000       1.326000
  1 1 1     -19  -15   27 o    10.16000      0.3510000       10.22000 0.4936000       10.11000      0.4993000      0.1059000      0.7021000
  1 1 1     -19  -15   28 o    3.316000      0.7370000       2.957000 1.043000       3.675000       1.041000     -0.7180000       1.474000
  1 1 1     -19  -15   29 o    2.371000      0.6379000       1.908000 0.8612000       2.834000      0.9413000     -0.9252000       1.276000
  1 1 1     -19  -15   30 o    5.090000      0.5297000       4.857000 0.7971000       5.323000      0.6978000     -0.4657000       1.059000
  1 1 1     -19  -15   31 f    5.533000      0.5104000       4.981000 0.8075000       6.085000      0.6243000      -1.104000       1.021000
  1 1 1     -19  -14    1 o    2.158000      0.5099000       1.991000 0.7237000       2.324000      0.7186000     -0.3324000       1.020000
  1 1 1     -19  -14    2 o    4.048000      0.3373000       4.099000 0.4516000       3.998000      0.5010000      0.1008000      0.6745000
  1 1 1     -19  -14    3 o    7.924000      0.3443000       7.560000 0.5184000       8.288000      0.4532000     -0.7284000      0.6886000
  1 1 1     -19  -14    4 o    4.942000      0.4440000       5.432000 0.5928000       4.453000      0.6612000      0.9794000      0.8881000
  1 1 1     -19  -14    5 o    4.487000      0.3531000       4.896000 0.4486000       4.078000      0.5455000      0.8181000      0.7062000
  1 1 1     -19  -14    6 o    6.083000      0.3658000       6.087000 0.3716000       6.079000      0.6302000      0.8506000E-02  0.7316000
  1 1 1     -19  -14    7 o    11.41000      0.3339000       11.48000 0.4515000       11.33000      0.4922000      0.1507000      0.6679000
  1 1 1     -19  -14    8 o    11.28000      0.2483000       11.37000 0.3523000       11.20000      0.3499000      0.1737000      0.4966000
  1 1 1     -19  -14    9 o    8.602000      0.2560000       8.771000 0.3553000       8.433000      0.3687000      0.3386000      0.5120000
  1 1 1     -19  -14   10 o    5.242000      0.3555000       5.215000 0.4981000       5.270000      0.5073000     -0.5544000E-01  0.7110000
  1 1 1     -19  -14   11 o    2.525000      0.5114000       3.467000 0.7344000       1.584000      0.7120000       1.883000       1.023000
  1 1 1     -19  -14   12 o    15.44000      0.2782000       15.81000 0.3960000       15.07000      0.3908000      0.7325000      0.5564000
  1 1 1     -19  -14   13 o    9.780000      0.2694000       9.902000 0.3799000       9.657000      0.3820000      0.2447000      0.5388000
  1 1 1     -19  -14   14 o    4.516000      0.4509000       4.908000 0.5672000       4.123000      0.7011000      0.7853000      0.9018000
  1 1 1     -19  -14   15 o    2.764000      0.5500000       3.600000 0.7557000       1.928000      0.7993000       1.672000       1.100000
  1 1 1     -19  -14   16 o    10.22000      0.2787000       9.804000 0.4011000       10.63000      0.3870000     -0.8233000      0.5573000
  1 1 1     -19  -14   17 o    7.944000      0.3110000       7.988000 0.4432000       7.900000      0.4365000      0.8852000E-01  0.6221000
  1 1 1     -19  -14   18 o    3.710000      0.5848000       3.606000 0.8152000       3.813000      0.8388000     -0.2076000       1.170000
  1 1 1     -19  -14   19 o    6.328000      0.3624000       6.429000 0.5071000       6.228000      0.5179000      0.2016000      0.7249000
  1 1 1     -19  -14   20 o    7.329000      0.3485000       6.835000 0.5123000       7.823000      0.4727000     -0.9876000      0.6971000
  1 1 1     -19  -14   21 o    9.965000      0.4301000       10.27000 0.6226000       9.658000      0.5936000      0.6139000      0.8602000
  1 1 1     -19  -14   22 o    8.143000      0.4865000       7.928000 0.7140000       8.358000      0.6611000     -0.4293000      0.9730000
  1 1 1     -19  -14   23 o    4.736000      0.5451000       4.356000 0.8068000       5.115000      0.7331000     -0.7585000       1.090000
  1 1 1     -19  -14   24 o    5.875000      0.6920000       6.171000 0.8603000       5.578000       1.084000      0.5928000       1.384000
  1 1 1     -19  -14   25 o    2.219000      0.7120000       2.161000 0.9857000       2.278000       1.028000     -0.1169000       1.424000
  1 1 1     -19  -14   26 o    4.207000      0.6504000       3.695000 0.9555000       4.718000      0.8827000      -1.023000       1.301000
  1 1 1     -19  -14   27 o    4.624000      0.6290000       4.386000 0.9162000       4.862000      0.8622000     -0.4759000       1.258000
  1 1 1     -19  -14   28 o    6.546000      0.4587000       6.475000 0.6553000       6.617000      0.6422000     -0.1427000      0.9175000
  1 1 1     -19  -14   29 o    2.863000      0.6921000       3.345000 1.023000       2.381000      0.9323000      0.9637000       1.384000
  1 1 1     -19  -14   30 f    4.646000      0.5755000       5.465000 0.7167000       3.828000      0.9007000       1.638000       1.151000
  1 1 1     -19  -14   31 o    2.222000      0.6473000       2.515000 0.9736000       1.928000      0.8533000      0.5869000       1.295000
  1 1 1     -19  -14   32 o    2.550000      0.6573000       1.976000 0.8779000       3.124000      0.9785000      -1.148000       1.315000
  1 1 1     -19  -13    1 o    5.172000      0.2829000       5.505000 0.3799000       4.839000      0.4193000      0.6657000      0.5658000
  1 1 1     -19  -13    2 o    2.798000      0.4634000       3.268000 0.6012000       2.328000      0.7053000      0.9401000      0.9268000
  1 1 1     -19  -13    3 o    2.111000      0.5107000       2.163000 0.7299000       2.059000      0.7144000      0.1035000       1.021000
  1 1 1     -19  -13    4 o    7.547000      0.3594000       7.722000 0.5342000       7.371000      0.4810000      0.3509000      0.7189000
  1 1 1     -19  -13    5 o    5.316000      0.3099000       5.454000 0.4332000       5.178000      0.4432000      0.2758000      0.6197000
  1 1 1     -19  -13    6 o    2.204000      0.5280000       1.902000 0.7357000       2.507000      0.7575000     -0.6043000       1.056000
  1 1 1     -19  -13    7 o    4.957000      0.4357000       5.005000 0.5967000       4.909000      0.6351000      0.9650000E-01  0.8714000
  1 1 1     -19  -13    8 o    13.10000      0.3496000       12.94000 0.4811000       13.25000      0.5074000     -0.3083000      0.6992000
  1 1 1     -19  -13    9 o    7.025000      0.2821000       6.875000 0.4050000       7.175000      0.3927000     -0.3002000      0.5642000
  1 1 1     -19  -13   10 o    4.535000      0.3735000       4.625000 0.5169000       4.445000      0.5392000      0.1804000      0.7469000
  1 1 1     -19  -13   11 o    2.216000      0.5607000       2.110000 0.7826000       2.323000      0.8031000     -0.2127000       1.121000
  1 1 1     -19  -13   12 o    9.400000      0.2665000       9.219000 0.3669000       9.582000      0.3865000     -0.3629000      0.5329000
  1 1 1     -19  -13   13 o    15.30000      0.2778000       15.31000 0.3912000       15.29000      0.3946000      0.1861000E-01  0.5556000
  1 1 1     -19  -13   14 o    5.820000      0.3552000       5.647000 0.5057000       5.992000      0.4989000     -0.3452000      0.7103000
  1 1 1     -19  -13   15 o    2.475000      0.5663000       1.909000 0.7904000       3.040000      0.8112000      -1.131000       1.133000
  1 1 1     -19  -13   16 o    2.333000      0.6126000       2.234000 0.8508000       2.431000      0.8815000     -0.1968000       1.225000
  1 1 1     -19  -13   17 o    2.355000      0.6092000       2.562000 0.8731000       2.148000      0.8497000      0.4137000       1.218000
  1 1 1     -19  -13   18 o    2.687000      0.6206000       2.900000 0.8561000       2.474000      0.8987000      0.4257000       1.241000
  1 1 1     -19  -13   19 o    8.212000      0.3213000       8.432000 0.4330000       7.993000      0.4749000      0.4395000      0.6426000
  1 1 1     -19  -13   20 o    7.973000      0.3237000       7.931000 0.4498000       8.015000      0.4655000     -0.8398000E-01  0.6473000
  1 1 1     -19  -13   21 o    3.139000      0.6467000       2.804000 0.9232000       3.474000      0.9057000     -0.6699000       1.293000
  1 1 1     -19  -13   22 o    3.274000      0.8038000       3.371000 1.167000       3.177000       1.106000      0.1948000       1.608000
  1 1 1     -19  -13   23 o    2.336000      0.6210000       1.562000 0.7461000       3.110000      0.9928000      -1.548000       1.242000
  1 1 1     -19  -13   24 o    8.821000      0.4675000       8.605000 0.7855000       9.037000      0.5071000     -0.4326000      0.9350000
  1 1 1     -19  -13   25 f    2.359000      0.7157000       2.760000 1.086000       1.958000      0.9321000      0.8020000       1.431000
  1 1 1     -19  -13   26 o    2.242000      0.6601000       1.874000 0.8524000       2.609000       1.008000     -0.7349000       1.320000
  1 1 1     -19  -13   27 o    2.695000       1.017000       2.695000 1.017000                  ?              ?              ?              ?
  1 1 1     -19  -13   28 o    8.533000      0.3825000       8.782000 0.5297000       8.285000      0.5520000      0.4973000      0.7650000
  1 1 1     -19  -13   29 o    4.680000      0.8183000                  ?       ?   4.680000      0.8183000                  ?              ?
  1 1 1     -19  -13   30 o    3.452000      0.7035000       3.505000 1.032000       3.400000      0.9565000      0.1052000       1.407000
  1 1 1     -19  -13   31 o    2.967000      0.6901000       3.337000 0.9821000       2.596000      0.9698000      0.7412000       1.380000
  1 1 1     -19  -13   32 o    3.671000      0.6204000       4.530000 0.7849000       2.811000      0.9611000       1.718000       1.241000
  1 1 1     -19  -12    1 f    12.69000      0.2320000       12.54000 0.3255000       12.83000      0.3308000     -0.2839000      0.4641000
  1 1 1     -19  -12    2 o    15.51000      0.2561000       15.58000 0.3631000       15.45000      0.3612000      0.1268000      0.5121000
  1 1 1     -19  -12    3 o    10.99000      0.2278000       11.01000 0.3198000       10.97000      0.3244000      0.4326000E-01  0.4556000
  1 1 1     -19  -12    4 o    7.985000      0.3434000       7.773000 0.5134000       8.196000      0.4562000     -0.4237000      0.6868000
  1 1 1     -19  -12    5 o    5.252000      0.4403000       5.510000 0.6395000       4.993000      0.6053000      0.5167000      0.8806000
  1 1 1     -19  -12    6 o    3.201000      0.4610000       2.967000 0.6822000       3.434000      0.6201000     -0.4668000      0.9219000
  1 1 1     -19  -12    7 o    2.575000      0.5018000       3.111000 0.6620000       2.039000      0.7542000       1.072000       1.004000
  1 1 1     -19  -12    8 o    7.946000      0.3568000       8.176000 0.4624000       7.715000      0.5436000      0.4607000      0.7136000
  1 1 1     -19  -12    9 o    3.891000      0.4387000       4.407000 0.5464000       3.376000      0.6865000       1.031000      0.8774000
  1 1 1     -19  -12   10 o    9.875000      0.2526000       10.07000 0.3566000       9.681000      0.3579000      0.3897000      0.5052000
  1 1 1     -19  -12   11 o    4.111000      0.4218000       3.815000 0.6266000       4.408000      0.5649000     -0.5923000      0.8437000
  1 1 1     -19  -12   12 o    3.019000      0.5268000       2.119000 0.8076000       3.918000      0.6767000      -1.799000       1.054000
  1 1 1     -19  -12   13 o    12.78000      0.2653000       12.87000 0.3754000       12.69000      0.3751000      0.1776000      0.5307000
  1 1 1     -19  -12   14 o    2.153000      0.5817000       2.032000 0.8067000       2.274000      0.8383000     -0.2423000       1.163000
  1 1 1     -19  -12   15 o    8.371000      0.2796000       8.455000 0.3888000       8.287000      0.4021000      0.1678000      0.5593000
  1 1 1     -19  -12   16 o    10.27000      0.2711000       10.20000 0.3801000       10.33000      0.3867000     -0.1224000      0.5422000
  1 1 1     -19  -12   17 o    2.098000      0.5863000       1.834000 0.7838000       2.362000      0.8722000     -0.5287000       1.173000
  1 1 1     -19  -12   18 o    6.915000      0.3335000       7.212000 0.4619000       6.618000      0.4811000      0.5939000      0.6669000
  1 1 1     -19  -12   19 o    4.053000      0.5426000       4.666000 0.6357000       3.440000      0.8795000       1.226000       1.085000
  1 1 1     -19  -12   20 o    3.280000      0.6157000       3.277000 0.8659000       3.283000      0.8755000     -0.5928000E-02   1.231000
  1 1 1     -19  -12   21 o    6.938000      0.3600000       7.377000 0.4848000       6.499000      0.5322000      0.8782000      0.7199000
  1 1 1     -19  -12   22 o    8.389000      0.4739000       8.252000 0.7147000       8.525000      0.6224000     -0.2732000      0.9478000
  1 1 1     -19  -12   23 o    8.212000      0.3503000       8.414000 0.4889000       8.011000      0.5017000      0.4028000      0.7005000
  1 1 1     -19  -12   24 o    9.393000      0.3345000       9.137000 0.4761000       9.648000      0.4699000     -0.5115000      0.6690000
  1 1 1     -19  -12   25 o    5.601000      0.7084000       5.749000 0.8863000       5.452000       1.105000      0.2970000       1.417000
  1 1 1     -19  -12   26 o    3.793000      0.6925000       3.606000 0.9820000       3.981000      0.9767000     -0.3747000       1.385000
  1 1 1     -19  -12   27 o    3.208000       1.038000       3.208000 1.038000                  ?              ?              ?              ?
  1 1 1     -19  -12   28 o    5.061000      0.5852000       5.161000 0.8014000       4.962000      0.8529000      0.1993000       1.170000
  1 1 1     -19  -12   29 o    7.013000      0.5869000                  ?       ?   7.013000      0.5869000                  ?              ?
  1 1 1     -19  -12   30 o    5.993000      0.4775000       6.873000 0.6115000       5.112000      0.7334000       1.761000      0.9549000
  1 1 1     -19  -12   31 o    4.146000      0.6105000       4.410000 0.8690000       3.883000      0.8578000      0.5265000       1.221000
  1 1 1     -19  -12   32 o    1.937000      0.5977000       2.020000 0.8704000       1.853000      0.8194000      0.1662000       1.195000
  1 1 1     -19  -11    1 f    9.047000      0.2193000       8.884000 0.3078000       9.210000      0.3126000     -0.3258000      0.4387000
  1 1 1     -19  -11    2 o    14.59000      0.2464000       14.47000 0.3467000       14.72000      0.3503000     -0.2579000      0.4929000
  1 1 1     -19  -11    3 o    6.978000      0.2385000       7.040000 0.3272000       6.916000      0.3472000      0.1238000      0.4771000
  1 1 1     -19  -11    4 o    10.34000      0.2264000       10.65000 0.3224000       10.03000      0.3180000      0.6192000      0.4528000
  1 1 1     -19  -11    5 o    5.852000      0.3934000       6.305000 0.5614000       5.400000      0.5513000      0.9055000      0.7869000
  1 1 1     -19  -11    6 o    9.159000      0.2251000       8.878000 0.3181000       9.440000      0.3184000     -0.5618000      0.4501000
  1 1 1     -19  -11    7 o    12.82000      0.2938000       13.18000 0.3471000       12.46000      0.4742000      0.7140000      0.5876000
  1 1 1     -19  -11    8 o    3.374000      0.6163000       3.249000 0.8289000       3.500000      0.9121000     -0.2509000       1.233000
  1 1 1     -19  -11    9 o    8.087000      0.3615000       8.403000 0.4921000       7.770000      0.5297000      0.6337000      0.7230000
  1 1 1     -19  -11   10 o    13.25000      0.2541000       13.21000 0.3586000       13.29000      0.3602000     -0.8309000E-01  0.5082000
  1 1 1     -19  -11   11 o    11.35000      0.2521000       11.17000 0.3517000       11.53000      0.3612000     -0.3676000      0.5041000
  1 1 1     -19  -11   12 o    9.430000      0.2569000       9.625000 0.3609000       9.235000      0.3658000      0.3898000      0.5139000
  1 1 1     -19  -11   13 o    8.892000      0.2723000       9.312000 0.3743000       8.472000      0.3956000      0.8408000      0.5446000
  1 1 1     -19  -11   14 o    2.811000      0.5823000       2.847000 0.8046000       2.775000      0.8421000      0.7172000E-01   1.165000
  1 1 1     -19  -11   15 o    9.842000      0.2724000       9.768000 0.3793000       9.915000      0.3911000     -0.1478000      0.5448000
  1 1 1     -19  -11   16 o    3.491000      0.5426000       3.383000 0.7867000       3.600000      0.7474000     -0.2167000       1.085000
  1 1 1     -19  -11   17 o    11.30000      0.2713000       11.14000 0.3819000       11.45000      0.3855000     -0.3144000      0.5426000
  1 1 1     -19  -11   18 o    4.414000      0.4818000       4.762000 0.6231000       4.067000      0.7350000      0.6951000      0.9636000
  1 1 1     -19  -11   19 o    2.328000      0.5954000       1.807000 0.7925000       2.849000      0.8889000      -1.042000       1.191000
  1 1 1     -19  -11   20 f    2.426000      0.6380000       2.256000 0.8816000       2.597000      0.9225000     -0.3415000       1.276000
  1 1 1     -19  -11   21 o    6.247000      0.3825000       6.284000 0.5406000       6.210000      0.5413000      0.7354000E-01  0.7650000
  1 1 1     -19  -11   22 o    4.127000      0.7428000       3.397000 1.153000       4.858000      0.9368000      -1.461000       1.486000
  1 1 1     -19  -11   23 o    3.972000      0.5852000       4.292000 0.7645000       3.652000      0.8861000      0.6398000       1.170000
  1 1 1     -19  -11   24 o    5.989000      0.4388000       6.201000 0.6005000       5.777000      0.6400000      0.4246000      0.8776000
  1 1 1     -19  -11   25 o    6.724000      0.6126000       6.305000 0.8453000       7.144000      0.8869000     -0.8392000       1.225000
  1 1 1     -19  -11   26 o    3.109000      0.6201000       4.327000 0.8864000       1.891000      0.8674000       2.436000       1.240000
  1 1 1     -19  -11   27 o    2.276000      0.6697000       2.444000 0.9710000       2.108000      0.9226000      0.3369000       1.339000
  1 1 1     -19  -11   28 o    3.931000      0.6786000       3.426000 1.013000       4.436000      0.9030000      -1.009000       1.357000
  1 1 1     -19  -11   29 o    4.574000      0.6126000       5.452000 0.6838000       3.696000       1.017000       1.757000       1.225000
  1 1 1     -19  -11   30 o    2.912000      0.6278000       1.965000 0.8805000       3.858000      0.8950000      -1.893000       1.256000
  1 1 1     -19  -11   31 o    4.271000      0.6042000       3.951000 0.9569000       4.591000      0.7379000     -0.6401000       1.208000
  1 1 1     -19  -11   32 o    2.975000      0.6481000       2.322000 0.9358000       3.628000      0.8970000      -1.306000       1.296000
  1 1 1     -19  -10    1 o    9.176000      0.2182000       9.231000 0.3108000       9.120000      0.3063000      0.1103000      0.4364000
  1 1 1     -19  -10    2 o    8.945000      0.2211000       8.915000 0.3095000       8.975000      0.3157000     -0.6026000E-01  0.4422000
  1 1 1     -19  -10    3 o    7.832000      0.2265000       8.271000 0.3140000       7.394000      0.3264000      0.8769000      0.4529000
  1 1 1     -19  -10    4 o    6.813000      0.2461000       6.608000 0.3530000       7.017000      0.3432000     -0.4093000      0.4923000
  1 1 1     -19  -10    5 o    6.600000      0.3603000       6.473000 0.5189000       6.726000      0.4999000     -0.2530000      0.7205000
  1 1 1     -19  -10    6 o    5.908000      0.3857000       5.822000 0.5841000       5.993000      0.5037000     -0.1708000      0.7713000
  1 1 1     -19  -10    7 o    5.018000      0.3223000       4.709000 0.4796000       5.328000      0.4306000     -0.6189000      0.6445000
  1 1 1     -19  -10    8 o    5.117000      0.3172000       5.041000 0.4583000       5.193000      0.4388000     -0.1522000      0.6344000
  1 1 1     -19  -10    9 o    5.521000      0.4533000       5.049000 0.6582000       5.993000      0.6235000     -0.9441000      0.9067000
  1 1 1     -19  -10   10 o    11.09000      0.2490000       10.70000 0.3485000       11.47000      0.3559000     -0.7730000      0.4981000
  1 1 1     -19  -10   11 o    12.66000      0.2547000       12.33000 0.3572000       13.00000      0.3632000     -0.6723000      0.5095000
  1 1 1     -19  -10   12 o    8.744000      0.2545000       9.103000 0.3612000       8.385000      0.3586000      0.7189000      0.5090000
  1 1 1     -19  -10   13 o    10.99000      0.2609000       10.86000 0.3694000       11.13000      0.3686000     -0.2721000      0.5219000
  1 1 1     -19  -10   14 o    4.231000      0.4607000       4.510000 0.6073000       3.952000      0.6930000      0.5590000      0.9215000
  1 1 1     -19  -10   15 o    10.59000      0.2635000       11.16000 0.3679000       10.02000      0.3774000       1.137000      0.5270000
  1 1 1     -19  -10   16 o    5.206000      0.3885000       5.500000 0.5107000       4.911000      0.5857000      0.5895000      0.7771000
  1 1 1     -19  -10   17 o    7.532000      0.3076000       7.526000 0.4363000       7.537000      0.4336000     -0.1161000E-01  0.6152000
  1 1 1     -19  -10   18 o    6.309000      0.3458000       6.519000 0.4767000       6.100000      0.5012000      0.4194000      0.6917000
  1 1 1     -19  -10   19 o    2.013000      0.5841000       1.740000 0.7702000       2.287000      0.8782000     -0.5469000       1.168000
  1 1 1     -19  -10   20 o    2.497000      0.6323000       2.616000 0.8982000       2.377000      0.8902000      0.2389000       1.265000
  1 1 1     -19  -10   21 o    6.662000      0.3670000       6.328000 0.5420000       6.997000      0.4950000     -0.6697000      0.7340000
  1 1 1     -19  -10   22 o    8.742000      0.4518000       8.530000 0.6665000       8.954000      0.6101000     -0.4245000      0.9036000
  1 1 1     -19  -10   23 o    5.851000      0.6263000       5.195000 1.015000       6.506000      0.7337000      -1.311000       1.253000
  1 1 1     -19  -10   24 o    2.885000      0.6797000       2.872000 0.9575000       2.898000      0.9649000     -0.2578000E-01   1.359000
  1 1 1     -19  -10   25 o    3.659000      0.7916000       2.944000 1.104000       4.374000       1.135000      -1.430000       1.583000
  1 1 1     -19  -10   26 o    5.008000      0.5479000       4.687000 0.8123000       5.330000      0.7356000     -0.6428000       1.096000
  1 1 1     -19  -10   27 o    2.186000      0.6476000       1.819000 0.8368000       2.554000      0.9886000     -0.7353000       1.295000
  1 1 1     -19  -10   28 o    8.817000      0.3643000       8.943000 0.5087000       8.691000      0.5218000      0.2520000      0.7287000
  1 1 1     -19  -10   29 o    6.470000      0.4425000       6.381000 0.6309000       6.558000      0.6207000     -0.1763000      0.8850000
  1 1 1     -19  -10   30 o    2.844000      0.6578000       2.102000 0.9164000       3.586000      0.9438000      -1.484000       1.316000
  1 1 1     -19  -10   31 o    3.246000      0.6681000       2.685000 1.017000       3.807000      0.8673000      -1.122000       1.336000
  1 1 1     -19  -10   32 o    2.556000      0.6728000       2.979000 1.007000       2.132000      0.8922000      0.8478000       1.346000
  1 1 1     -19   -9    1 o    7.182000      0.2239000       7.300000 0.3124000       7.064000      0.3208000      0.2353000      0.4477000
  1 1 1     -19   -9    2 o    3.424000      0.3770000       3.593000 0.5206000       3.255000      0.5453000      0.3379000      0.7539000
  1 1 1     -19   -9    3 o    6.763000      0.2415000       6.712000 0.3367000       6.815000      0.3463000     -0.1038000      0.4830000
  1 1 1     -19   -9    4 o    4.626000      0.3145000       4.835000 0.4300000       4.416000      0.4590000      0.4187000      0.6290000
  1 1 1     -19   -9    5 o    3.809000      0.3758000       3.589000 0.5458000       4.028000      0.5166000     -0.4386000      0.7515000
  1 1 1     -19   -9    6 o    4.098000      0.5121000       4.427000 0.6826000       3.769000      0.7636000      0.6585000       1.024000
  1 1 1     -19   -9    7 o    1.804000      0.4835000       2.178000 0.7242000       1.430000      0.6409000      0.7478000      0.9670000
  1 1 1     -19   -9    8 o    8.888000      0.2418000       8.740000 0.3385000       9.036000      0.3454000     -0.2954000      0.4837000
  1 1 1     -19   -9    9 o    2.256000      0.6034000       1.875000 0.8050000       2.636000      0.8991000     -0.7610000       1.207000
  1 1 1     -19   -9   10 o    13.74000      0.2576000       13.86000 0.3660000       13.61000      0.3626000      0.2499000      0.5152000
  1 1 1     -19   -9   11 o    8.318000      0.2570000       8.079000 0.3615000       8.557000      0.3655000     -0.4779000      0.5140000
  1 1 1     -19   -9   12 o    8.219000      0.2643000       8.255000 0.3718000       8.183000      0.3758000      0.7195000E-01  0.5286000
  1 1 1     -19   -9   13 f    3.117000      0.5434000       3.546000 0.7118000       2.689000      0.8213000      0.8578000       1.087000
  1 1 1     -19   -9   14 o    5.843000      0.3447000       6.275000 0.4554000       5.410000      0.5175000      0.8654000      0.6893000
  1 1 1     -19   -9   15 o    8.187000      0.2846000       7.806000 0.4110000       8.568000      0.3938000     -0.7624000      0.5692000
  1 1 1     -19   -9   16 o    5.187000      0.3825000       5.182000 0.5400000       5.192000      0.5417000     -0.9977000E-02  0.7649000
  1 1 1     -19   -9   17 o    5.341000      0.3944000       5.349000 0.5543000       5.334000      0.5611000      0.1505000E-01  0.7887000
  1 1 1     -19   -9   18 o    3.227000      0.5829000       3.550000 0.7942000       2.904000      0.8535000      0.6456000       1.166000
  1 1 1     -19   -9   19 o    7.473000      0.3175000       7.865000 0.4321000       7.080000      0.4655000      0.7850000      0.6351000
  1 1 1     -19   -9   20 o    6.747000      0.3448000       6.967000 0.4709000       6.526000      0.5039000      0.4410000      0.6897000
  1 1 1     -19   -9   21 o    9.907000      0.2971000       9.971000 0.4171000       9.842000      0.4233000      0.1291000      0.5943000
  1 1 1     -19   -9   22 o    9.339000      0.4378000       8.917000 0.6510000       9.760000      0.5857000     -0.8428000      0.8757000
  1 1 1     -19   -9   23 f    4.252000      0.7509000       3.579000 1.155000       4.925000      0.9596000      -1.346000       1.502000
  1 1 1     -19   -9   24 o    13.99000      0.3071000       14.20000 0.4308000       13.78000      0.4379000      0.4181000      0.6143000
  1 1 1     -19   -9   25 o    5.927000      0.6735000       5.813000 0.9023000       6.041000       1.000000     -0.2285000       1.347000
  1 1 1     -19   -9   26 o    11.39000      0.3259000       11.32000 0.4648000       11.46000      0.4569000     -0.1422000      0.6517000
  1 1 1     -19   -9   27 o    2.663000      0.7068000       2.501000 0.9835000       2.824000       1.015000     -0.3229000       1.414000
  1 1 1     -19   -9   28 o    9.204000      0.4121000       8.829000 0.5207000       9.579000      0.6389000     -0.7494000      0.8242000
  1 1 1     -19   -9   29 o    4.971000      0.5618000       5.643000 0.6911000       4.299000      0.8860000       1.344000       1.124000
  1 1 1     -19   -9   30 o    2.825000      0.7048000       2.752000 0.9892000       2.898000       1.004000     -0.1460000       1.410000
  1 1 1     -19   -9   31 f    2.457000      0.6844000       2.501000 0.9915000       2.414000      0.9435000      0.8639000E-01   1.369000
  1 1 1     -19   -9   32 o    3.230000      0.6587000       2.568000 0.9783000       3.892000      0.8824000      -1.324000       1.317000
  1 1 1     -19   -8    1 o    11.70000      0.2243000       11.73000 0.3183000       11.67000      0.3163000      0.6640000E-01  0.4487000
  1 1 1     -19   -8    2 o    5.363000      0.2649000       5.200000 0.3790000       5.527000      0.3700000     -0.3263000      0.5297000
  1 1 1     -19   -8    3 o    6.972000      0.2335000       7.155000 0.3309000       6.789000      0.3295000      0.3660000      0.4670000
  1 1 1     -19   -8    4 o    2.362000      0.4905000       2.247000 0.7014000       2.476000      0.6859000     -0.2285000      0.9811000
  1 1 1     -19   -8    5 o    10.15000      0.2266000       10.35000 0.3216000       9.944000      0.3191000      0.4048000      0.4531000
  1 1 1     -19   -8    6 o    8.110000      0.3392000       8.040000 0.4920000       8.180000      0.4672000     -0.1402000      0.6785000
  1 1 1     -19   -8    7 o    8.932000      0.2389000       9.353000 0.3307000       8.512000      0.3449000      0.8409000      0.4779000
  1 1 1     -19   -8    8 o    8.673000      0.2381000       8.919000 0.3276000       8.427000      0.3457000      0.4920000      0.4762000
  1 1 1     -19   -8    9 o    5.068000      0.4542000       5.248000 0.6036000       4.888000      0.6789000      0.3605000      0.9085000
  1 1 1     -19   -8   10 o    6.449000      0.2929000       6.792000 0.3989000       6.105000      0.4291000      0.6868000      0.5859000
  1 1 1     -19   -8   11 o    10.06000      0.2451000       10.15000 0.3484000       9.970000      0.3450000      0.1819000      0.4903000
  1 1 1     -19   -8   12 o    9.033000      0.2548000       9.052000 0.3633000       9.015000      0.3574000      0.3705000E-01  0.5097000
  1 1 1     -19   -8   13 o    11.15000      0.2557000       11.13000 0.3639000       11.18000      0.3594000     -0.5367000E-01  0.5114000
  1 1 1     -19   -8   14 o    15.12000      0.2755000       14.85000 0.3870000       15.39000      0.3921000     -0.5396000      0.5509000
  1 1 1     -19   -8   15 o    11.41000      0.2644000       11.32000 0.3723000       11.50000      0.3755000     -0.1806000      0.5288000
  1 1 1     -19   -8   16 o    6.639000      0.3196000       6.111000 0.4728000       7.167000      0.4301000      -1.056000      0.6392000
  1 1 1     -19   -8   17 o    5.451000      0.3842000       5.530000 0.5379000       5.372000      0.5488000      0.1584000      0.7685000
  1 1 1     -19   -8   18 o    3.126000      0.5780000       2.696000 0.8636000       3.556000      0.7686000     -0.8598000       1.156000
  1 1 1     -19   -8   19 o    4.015000      0.5160000       4.769000 0.6130000       3.261000      0.8302000       1.507000       1.032000
  1 1 1     -19   -8   20 o    3.036000      0.6053000       3.520000 0.8320000       2.552000      0.8794000      0.9680000       1.211000
  1 1 1     -19   -8   21 o    8.453000      0.3142000       8.040000 0.4565000       8.866000      0.4320000     -0.8264000      0.6285000
  1 1 1     -19   -8   22 o    8.034000      0.4743000       8.305000 0.6846000       7.763000      0.6567000      0.5422000      0.9487000
  1 1 1     -19   -8   23 o    4.292000      0.7216000       3.649000 1.118000       4.935000      0.9129000      -1.286000       1.443000
  1 1 1     -19   -8   24 o    11.35000      0.3017000       11.45000 0.4311000       11.26000      0.4222000      0.1900000      0.6035000
  1 1 1     -19   -8   25 o    3.911000      0.8086000       3.361000 1.152000       4.460000       1.135000      -1.099000       1.617000
  1 1 1     -19   -8   26 o    12.70000      0.3141000       12.64000 0.4448000       12.76000      0.4436000     -0.1283000      0.6281000
  1 1 1     -19   -8   27 o    5.867000      0.4747000       6.104000 0.6495000       5.629000      0.6924000      0.4756000      0.9493000
  1 1 1     -19   -8   28 o    2.535000      0.9773000       2.535000 0.9773000                  ?              ?              ?              ?
  1 1 1     -19   -8   29 o    1.989000      0.6278000       2.058000 0.9120000       1.920000      0.8631000      0.1384000       1.256000
  1 1 1     -19   -8   30 o    4.491000      0.8409000                  ?       ?   4.491000      0.8409000                  ?              ?
  1 1 1     -19   -8   31 o    2.811000      0.6984000       2.641000 0.9958000       2.981000      0.9794000     -0.3396000       1.397000
  1 1 1     -19   -8   32 o    5.314000      0.4773000       5.641000 0.6598000       4.988000      0.6899000      0.6531000      0.9546000
  1 1 1     -19   -7    1 o    10.16000      0.3055000                  ?       ?   10.16000      0.3055000                  ?              ?
  1 1 1     -19   -7    2 o    4.202000      0.3165000       3.751000 0.4895000       4.653000      0.4014000     -0.9021000      0.6330000
  1 1 1     -19   -7    3 o    7.761000      0.2259000       8.001000 0.3193000       7.522000      0.3197000      0.4794000      0.4519000
  1 1 1     -19   -7    4 o    12.83000      0.2343000       12.80000 0.3299000       12.86000      0.3329000     -0.6235000E-01  0.4686000
  1 1 1     -19   -7    5 o    15.18000      0.2544000       14.72000 0.3540000       15.63000      0.3654000     -0.9105000      0.5088000
  1 1 1     -19   -7    6 o    7.486000      0.3416000       7.548000 0.4893000       7.424000      0.4767000      0.1241000      0.6832000
  1 1 1     -19   -7    7 o    6.927000      0.2509000       6.828000 0.3564000       7.026000      0.3533000     -0.1985000      0.5018000
  1 1 1     -19   -7    8 o    6.011000      0.2801000       6.252000 0.3921000       5.770000      0.4002000      0.4829000      0.5603000
  1 1 1     -19   -7    9 o    6.260000      0.3863000       5.783000 0.5584000       6.737000      0.5339000     -0.9543000      0.7726000
  1 1 1     -19   -7   10 o    8.015000      0.2592000       8.492000 0.3596000       7.537000      0.3735000      0.9548000      0.5185000
  1 1 1     -19   -7   11 o    4.214000      0.3976000       4.561000 0.5298000       3.868000      0.5930000      0.6932000      0.7952000
  1 1 1     -19   -7   12 o    2.295000      0.5585000       2.419000 0.7946000       2.170000      0.7850000      0.2485000       1.117000
  1 1 1     -19   -7   13 o    9.240000      0.2643000       9.590000 0.3735000       8.890000      0.3739000      0.7001000      0.5285000
  1 1 1     -19   -7   14 o    16.31000      0.2844000       16.11000 0.4026000       16.52000      0.4018000     -0.4089000      0.5688000
  1 1 1     -19   -7   15 o    13.63000      0.2665000       13.54000 0.3777000       13.71000      0.3762000     -0.1664000      0.5331000
  1 1 1     -19   -7   16 o    12.68000      0.2675000       12.71000 0.3783000       12.64000      0.3783000      0.6462000E-01  0.5350000
  1 1 1     -19   -7   17 o    2.246000      0.6017000       2.186000 0.8499000       2.305000      0.8520000     -0.1185000       1.203000
  1 1 1     -19   -7   18 o    6.007000      0.3511000       6.460000 0.4647000       5.555000      0.5263000      0.9051000      0.7021000
  1 1 1     -19   -7   19 o    11.30000      0.2777000       11.16000 0.3911000       11.43000      0.3943000     -0.2706000      0.5554000
  1 1 1     -19   -7   20 o    7.511000      0.3171000       7.185000 0.4579000       7.838000      0.4388000     -0.6523000      0.6342000
  1 1 1     -19   -7   21 o    4.189000      0.5400000       3.152000 0.8961000       5.227000      0.6027000      -2.076000       1.080000
  1 1 1     -19   -7   22 o    16.25000      0.4233000       16.69000 0.6080000       15.82000      0.5890000      0.8730000      0.8465000
  1 1 1     -19   -7   23 o    3.194000      0.6156000       2.691000 0.9114000       3.697000      0.8277000      -1.007000       1.231000
  1 1 1     -19   -7   24 o    3.794000      0.6107000       4.248000 0.7938000       3.340000      0.9284000      0.9081000       1.221000
  1 1 1     -19   -7   25 o    11.23000      0.4398000       11.63000 0.6031000       10.83000      0.6402000      0.8037000      0.8796000
  1 1 1     -19   -7   26 o    10.81000      0.3250000       10.02000 0.4678000       11.60000      0.4512000      -1.585000      0.6499000
  1 1 1     -19   -7   27 f    6.596000      0.4324000       6.998000 0.5831000       6.193000      0.6388000      0.8058000      0.8649000
  1 1 1     -19   -7   28 o    5.283000      0.4569000       5.680000 0.6742000       4.886000      0.6168000      0.7943000      0.9138000
  1 1 1     -19   -7   29 o    4.986000      0.5527000       5.318000 0.7390000       4.654000      0.8221000      0.6635000       1.105000
  1 1 1     -19   -7   30 o    3.932000      0.8876000                  ?       ?   3.932000      0.8876000                  ?              ?
  1 1 1     -19   -7   31 o    2.671000      0.6749000       3.096000 0.9842000       2.245000      0.9239000      0.8506000       1.350000
  1 1 1     -19   -7   32 o    3.737000      0.6320000       4.419000 0.8364000       3.055000      0.9477000       1.364000       1.264000
  1 1 1     -19   -6    1 o    7.852000      0.3120000                  ?       ?   7.852000      0.3120000                  ?              ?
  1 1 1     -19   -6    2 o    7.887000      0.2221000       8.006000 0.3119000       7.767000      0.3164000      0.2399000      0.4443000
  1 1 1     -19   -6    3 o    5.597000      0.2646000       5.488000 0.3789000       5.706000      0.3694000     -0.2184000      0.5291000
  1 1 1     -19   -6    4 o    8.289000      0.2285000       7.953000 0.3262000       8.625000      0.3201000     -0.6724000      0.4570000
  1 1 1     -19   -6    5 o    3.658000      0.3891000       4.097000 0.4815000       3.220000      0.6114000      0.8766000      0.7783000
  1 1 1     -19   -6    6 o    8.085000      0.3323000       8.442000 0.4698000       7.728000      0.4699000      0.7143000      0.6645000
  1 1 1     -19   -6    7 o    5.927000      0.2760000       6.056000 0.3777000       5.799000      0.4025000      0.2567000      0.5519000
  1 1 1     -19   -6    8 o    3.583000      0.4323000       4.233000 0.5131000       2.933000      0.6959000       1.300000      0.8646000
  1 1 1     -19   -6    9 o    3.757000      0.5552000       3.779000 0.7578000       3.736000      0.8117000      0.4284000E-01   1.110000
  1 1 1     -19   -6   10 o    6.492000      0.2781000       6.471000 0.3926000       6.513000      0.3939000     -0.4275000E-01  0.5561000
  1 1 1     -19   -6   11 o    12.84000      0.2497000       12.94000 0.3535000       12.75000      0.3529000      0.1894000      0.4995000
  1 1 1     -19   -6   12 o    4.637000      0.3606000       4.359000 0.5356000       4.916000      0.4830000     -0.5564000      0.7213000
  1 1 1     -19   -6   13 o    3.252000      0.5201000       3.031000 0.7693000       3.474000      0.7001000     -0.4433000       1.040000
  1 1 1     -19   -6   14 o    10.59000      0.2604000       10.81000 0.3710000       10.37000      0.3655000      0.4368000      0.5208000
  1 1 1     -19   -6   15 o    5.439000      0.3414000       5.291000 0.5009000       5.587000      0.4640000     -0.2961000      0.6828000
  1 1 1     -19   -6   16 o    6.432000      0.3218000       6.266000 0.4614000       6.598000      0.4487000     -0.3314000      0.6436000
  1 1 1     -19   -6   17 o    6.192000      0.3374000       6.509000 0.4609000       5.875000      0.4929000      0.6342000      0.6748000
  1 1 1     -19   -6   18 o    6.153000      0.3427000       5.865000 0.4935000       6.440000      0.4758000     -0.5759000      0.6855000
  1 1 1     -19   -6   19 o    2.449000      0.6051000       2.432000 0.8524000       2.466000      0.8592000     -0.3450000E-01   1.210000
  1 1 1     -19   -6   20 o    3.463000      0.5770000       3.072000 0.8563000       3.854000      0.7738000     -0.7820000       1.154000
  1 1 1     -19   -6   21 o    2.472000      0.6236000       2.616000 0.8893000       2.327000      0.8745000      0.2897000       1.247000
  1 1 1     -19   -6   22 o    9.765000      0.4134000       9.550000 0.5919000       9.979000      0.5772000     -0.4284000      0.8267000
  1 1 1     -19   -6   23 o    5.953000      0.4243000       5.540000 0.6259000       6.367000      0.5730000     -0.8277000      0.8486000
  1 1 1     -19   -6   24 o    7.156000      0.3577000       6.946000 0.5196000       7.366000      0.4916000     -0.4199000      0.7153000
  1 1 1     -19   -6   25 o    5.012000      0.7066000       6.392000 0.7970000       3.632000       1.167000       2.760000       1.413000
  1 1 1     -19   -6   26 o    3.674000      0.6665000       3.664000 0.9426000       3.684000      0.9426000     -0.2046000E-01   1.333000
  1 1 1     -19   -6   27 o    3.136000      0.6790000       3.357000 0.9403000       2.915000      0.9798000      0.4422000       1.358000
  1 1 1     -19   -6   28 o    6.959000      0.3983000       6.636000 0.5702000       7.281000      0.5564000     -0.6454000      0.7966000
  1 1 1     -19   -6   29 o    6.942000      0.4022000       7.015000 0.5718000       6.869000      0.5658000      0.1460000      0.8044000
  1 1 1     -19   -6   30 o    2.137000      0.6265000       1.712000 0.8031000       2.562000      0.9618000     -0.8496000       1.253000
  1 1 1     -19   -6   31 o    2.399000      0.6582000       2.164000 0.9165000       2.634000      0.9448000     -0.4697000       1.316000
  1 1 1     -19   -6   32 o    3.692000      0.6373000       4.198000 0.8755000       3.187000      0.9263000       1.012000       1.275000
  1 1 1     -19   -5    1 o    4.534000      0.2827000       4.508000 0.4053000       4.559000      0.3942000     -0.5160000E-01  0.5653000
  1 1 1     -19   -5    2 o    7.730000      0.2221000       7.956000 0.3100000       7.504000      0.3180000      0.4517000      0.4441000
  1 1 1     -19   -5    3 o    8.767000      0.2204000       8.911000 0.3118000       8.622000      0.3115000      0.2883000      0.4407000
  1 1 1     -19   -5    4 o    7.026000      0.2322000       7.011000 0.3296000       7.041000      0.3271000     -0.2988000E-01  0.4644000
  1 1 1     -19   -5    5 o    10.12000      0.3161000       9.569000 0.4514000       10.67000      0.4426000      -1.104000      0.6322000
  1 1 1     -19   -5    6 o    12.47000      0.3303000       12.25000 0.4704000       12.70000      0.4639000     -0.4493000      0.6607000
  1 1 1     -19   -5    7 o    9.430000      0.2348000       9.800000 0.3322000       9.060000      0.3318000      0.7402000      0.4695000
  1 1 1     -19   -5    8 o    10.33000      0.2279000       10.41000 0.3223000       10.24000      0.3223000      0.1732000      0.4558000
  1 1 1     -19   -5    9 o    5.060000      0.4339000       5.093000 0.5863000       5.028000      0.6399000      0.6474000E-01  0.8679000
  1 1 1     -19   -5   10 o    6.253000      0.2838000       5.974000 0.4107000       6.531000      0.3918000     -0.5568000      0.5676000
  1 1 1     -19   -5   11 o    6.976000      0.2615000       6.556000 0.3844000       7.396000      0.3547000     -0.8404000      0.5231000
  1 1 1     -19   -5   12 o    12.34000      0.2475000       12.09000 0.3496000       12.59000      0.3503000     -0.5015000      0.4949000
  1 1 1     -19   -5   13 o    10.85000      0.2540000       10.88000 0.3577000       10.82000      0.3607000      0.6183000E-01  0.5080000
  1 1 1     -19   -5   14 o    11.88000      0.2573000       11.83000 0.3637000       11.93000      0.3639000     -0.9874000E-01  0.5145000
  1 1 1     -19   -5   15 o    6.295000      0.3170000       6.374000 0.4477000       6.216000      0.4489000      0.1583000      0.6339000
  1 1 1     -19   -5   16 o    6.099000      0.3278000       6.256000 0.4527000       5.942000      0.4743000      0.3135000      0.6557000
  1 1 1     -19   -5   17 o    4.672000      0.3860000       5.040000 0.4973000       4.303000      0.5905000      0.7363000      0.7720000
  1 1 1     -19   -5   18 o    8.715000      0.2793000       8.219000 0.4036000       9.211000      0.3862000     -0.9927000      0.5585000
  1 1 1     -19   -5   19 o    5.704000      0.3547000       5.544000 0.5136000       5.864000      0.4892000     -0.3197000      0.7093000
  1 1 1     -19   -5   20 o    8.075000      0.3101000       8.238000 0.4320000       7.911000      0.4449000      0.3273000      0.6202000
  1 1 1     -19   -5   21 o    4.460000      0.4572000       4.465000 0.6692000       4.454000      0.6231000      0.1102000E-01  0.9143000
  1 1 1     -19   -5   22 o    3.567000      0.7508000       3.486000 1.085000       3.648000       1.038000     -0.1621000       1.502000
  1 1 1     -19   -5   23 o    9.066000      0.3013000       9.127000 0.4243000       9.005000      0.4280000      0.1214000      0.6027000
  1 1 1     -19   -5   24 o    4.020000      0.5718000       3.744000 0.8588000       4.296000      0.7553000     -0.5524000       1.144000
  1 1 1     -19   -5   25 f    2.922000      0.7599000       2.375000 1.019000       3.470000       1.127000      -1.095000       1.520000
  1 1 1     -19   -5   26 o    2.996000      0.6734000       2.495000 0.9492000       3.497000      0.9554000      -1.003000       1.347000
  1 1 1     -19   -5   27 o    2.687000      0.6800000       2.808000 0.9657000       2.567000      0.9576000      0.2406000       1.360000
  1 1 1     -19   -5   28 o    5.011000      0.5051000       5.368000 0.6420000       4.653000      0.7800000      0.7153000       1.010000
  1 1 1     -19   -5   29 o    5.051000      0.5208000       5.559000 0.6734000       4.543000      0.7947000       1.016000       1.042000
  1 1 1     -19   -5   30 o    2.964000      0.6722000       2.545000 0.9520000       3.383000      0.9494000     -0.8384000       1.344000
  1 1 1     -19   -5   31 o    2.269000      0.6358000       1.816000 0.8354000       2.721000      0.9586000     -0.9050000       1.272000
  1 1 1     -19   -5   32 o    2.603000      0.6435000       2.232000 0.9010000       2.974000      0.9190000     -0.7421000       1.287000
  1 1 1     -19   -4    1 o    4.743000      0.2776000       4.922000 0.3883000       4.563000      0.3968000      0.3589000      0.5551000
  1 1 1     -19   -4    2 o    2.806000      0.4251000       3.598000 0.5042000       2.014000      0.6844000       1.584000      0.8501000
  1 1 1     -19   -4    3 o    6.789000      0.2367000       6.735000 0.3371000       6.843000      0.3322000     -0.1082000      0.4733000
  1 1 1     -19   -4    4 o    5.529000      0.2613000       5.819000 0.3573000       5.239000      0.3813000      0.5802000      0.5226000
  1 1 1     -19   -4    5 o    2.405000      0.5398000       3.180000 0.8157000       1.631000      0.7074000       1.550000       1.080000
  1 1 1     -19   -4    6 o    1.953000      0.5437000       2.321000 0.8387000       1.584000      0.6920000      0.7368000       1.087000
  1 1 1     -19   -4    7 o    2.106000      0.4912000       1.772000 0.6996000       2.439000      0.6895000     -0.6665000      0.9823000
  1 1 1     -19   -4    8 o    5.815000      0.3859000       5.956000 0.5310000       5.675000      0.5601000      0.2804000      0.7718000
  1 1 1     -19   -4    9 o    4.933000      0.4567000       4.601000 0.6717000       5.265000      0.6190000     -0.6633000      0.9134000
  1 1 1     -19   -4   10 o    8.540000      0.2529000       8.626000 0.3550000       8.454000      0.3602000      0.1724000      0.5057000
  1 1 1     -19   -4   11 o    4.583000      0.3570000       4.663000 0.5018000       4.502000      0.5079000      0.1613000      0.7140000
  1 1 1     -19   -4   12 o    17.24000      0.2836000       17.45000 0.4047000       17.03000      0.3974000      0.4131000      0.5672000
  1 1 1     -19   -4   13 o    10.42000      0.2477000       10.54000 0.3563000       10.30000      0.3443000      0.2430000      0.4954000
  1 1 1     -19   -4   14 o    20.33000      0.3166000       20.44000 0.4490000       20.22000      0.4464000      0.2213000      0.6331000
  1 1 1     -19   -4   15 o    7.081000      0.2949000       6.395000 0.4429000       7.767000      0.3896000      -1.373000      0.5899000
  1 1 1     -19   -4   16 o    20.41000      0.3216000       20.86000 0.4606000       19.96000      0.4489000      0.9060000      0.6432000
  1 1 1     -19   -4   17 o    8.002000      0.2806000       7.832000 0.3997000       8.172000      0.3939000     -0.3400000      0.5612000
  1 1 1     -19   -4   18 o    9.679000      0.2707000       9.605000 0.3840000       9.754000      0.3817000     -0.1493000      0.5414000
  1 1 1     -19   -4   19 o    8.489000      0.2860000       8.424000 0.4029000       8.554000      0.4060000     -0.1300000      0.5720000
  1 1 1     -19   -4   20 o    8.143000      0.2992000       8.568000 0.4078000       7.718000      0.4380000      0.8506000      0.5985000
  1 1 1     -19   -4   21 f    6.218000      0.5200000       7.035000 0.6754000       5.400000      0.7910000       1.635000       1.040000
  1 1 1     -19   -4   22 o    5.232000      0.5622000       5.470000 0.7727000       4.993000      0.8168000      0.4776000       1.124000
  1 1 1     -19   -4   23 o    7.766000      0.3320000       7.651000 0.4703000       7.881000      0.4689000     -0.2300000      0.6641000
  1 1 1     -19   -4   24 o    9.362000      0.4820000       9.795000 0.6442000       8.929000      0.7172000      0.8657000      0.9640000
  1 1 1     -19   -4   25 o    9.143000      0.4704000       9.039000 0.6437000       9.247000      0.6862000     -0.2080000      0.9408000
  1 1 1     -19   -4   26 o    3.828000      0.6373000       3.755000 0.9001000       3.901000      0.9026000     -0.1451000       1.275000
  1 1 1     -19   -4   27 f    5.568000      0.4502000       5.598000 0.6250000       5.538000      0.6482000      0.5912000E-01  0.9004000
  1 1 1     -19   -4   28 o    2.730000      0.6619000       2.137000 0.8906000       3.322000      0.9794000      -1.185000       1.324000
  1 1 1     -19   -4   29 o    2.175000      0.8979000       2.175000 0.8979000                  ?              ?              ?              ?
  1 1 1     -19   -4   30 o    2.414000      0.6388000       1.825000 0.8261000       3.003000      0.9746000      -1.177000       1.278000
  1 1 1     -19   -4   31 o    3.827000      0.6822000       3.577000 1.107000       4.077000      0.7971000     -0.5003000       1.364000
  1 1 1     -19   -4   32 f    3.602000      0.6425000       3.219000 0.9653000       3.985000      0.8481000     -0.7663000       1.285000
  1 1 1     -19   -3    1 o    6.322000      0.2302000       6.059000 0.3315000       6.585000      0.3195000     -0.5263000      0.4604000
  1 1 1     -19   -3    2 o    11.28000      0.3122000                  ?       ?   11.28000      0.3122000                  ?              ?
  1 1 1     -19   -3    3 o    3.769000      0.3485000       3.907000 0.4695000       3.631000      0.5151000      0.2756000      0.6970000
  1 1 1     -19   -3    4 o    5.657000      0.2627000       5.730000 0.3690000       5.584000      0.3740000      0.1460000      0.5254000
  1 1 1     -19   -3    5 o    3.513000      0.5034000       3.666000 0.7214000       3.361000      0.7024000      0.3052000       1.007000
  1 1 1     -19   -3    6 o    8.520000      0.2291000       8.713000 0.3216000       8.326000      0.3263000      0.3870000      0.4582000
  1 1 1     -19   -3    7 o    12.90000      0.2419000       12.76000 0.3406000       13.03000      0.3436000     -0.2706000      0.4838000
  1 1 1     -19   -3    8 o    2.136000      0.5939000       2.383000 0.8696000       1.888000      0.8092000      0.4952000       1.188000
  1 1 1     -19   -3    9 o    6.226000      0.2809000       6.016000 0.4023000       6.436000      0.3921000     -0.4203000      0.5618000
  1 1 1     -19   -3   10 o    10.14000      0.2404000       9.898000 0.3477000       10.38000      0.3321000     -0.4862000      0.4808000
  1 1 1     -19   -3   11 o    11.44000      0.2411000       11.70000 0.3476000       11.18000      0.3342000      0.5223000      0.4822000
  1 1 1     -19   -3   12 o    13.45000      0.2554000       13.40000 0.3622000       13.50000      0.3602000     -0.1053000      0.5109000
  1 1 1     -19   -3   13 o    4.876000      0.3632000       4.498000 0.5578000       5.254000      0.4654000     -0.7562000      0.7264000
  1 1 1     -19   -3   14 o    15.44000      0.2727000       15.24000 0.3839000       15.65000      0.3875000     -0.4108000      0.5455000
  1 1 1     -19   -3   15 o    6.194000      0.3154000       6.231000 0.4431000       6.158000      0.4489000      0.7275000E-01  0.6308000
  1 1 1     -19   -3   16 o    10.95000      0.2557000       11.31000 0.3635000       10.60000      0.3596000      0.7073000      0.5114000
  1 1 1     -19   -3   17 o    4.896000      0.3715000       4.747000 0.5488000       5.046000      0.5010000     -0.2994000      0.7431000
  1 1 1     -19   -3   18 o    13.08000      0.2678000       13.34000 0.3799000       12.82000      0.3775000      0.5192000      0.5356000
  1 1 1     -19   -3   19 o    11.56000      0.2718000       11.30000 0.3826000       11.83000      0.3863000     -0.5372000      0.5436000
  1 1 1     -19   -3   20 o    6.677000      0.3381000       6.552000 0.4893000       6.801000      0.4668000     -0.2489000      0.6763000
  1 1 1     -19   -3   21 o    1.860000      0.5791000       1.651000 0.7850000       2.069000      0.8517000     -0.4182000       1.158000
  1 1 1     -19   -3   22 o    5.367000      0.4170000       5.755000 0.5476000       4.979000      0.6289000      0.7765000      0.8339000
  1 1 1     -19   -3   23 o    4.902000      0.4767000       4.256000 0.7502000       5.548000      0.5884000      -1.292000      0.9534000
  1 1 1     -19   -3   24 o    6.955000      0.5567000       6.560000 0.8082000       7.349000      0.7657000     -0.7891000       1.113000
  1 1 1     -19   -3   25 o    6.905000      0.3710000       7.249000 0.5039000       6.561000      0.5447000      0.6886000      0.7421000
  1 1 1     -19   -3   26 o    5.254000      0.4883000       5.682000 0.6217000       4.826000      0.7532000      0.8560000      0.9766000
  1 1 1     -19   -3   27 o    8.813000      0.3270000       8.895000 0.4625000       8.730000      0.4624000      0.1657000      0.6539000
  1 1 1     -19   -3   28 o    8.372000      0.3486000       8.438000 0.4779000       8.307000      0.5077000      0.1311000      0.6972000
  1 1 1     -19   -3   29 o    4.385000      0.7892000       4.385000 0.7892000                  ?              ?              ?              ?
  1 1 1     -19   -3   30 o    2.051000      0.6156000       2.155000 0.8839000       1.946000      0.8571000      0.2092000       1.231000
  1 1 1     -19   -3   31 o    3.127000      0.9422000                  ?       ?   3.127000      0.9422000                  ?              ?
  1 1 1     -19   -3   32 o    2.129000      0.6173000       2.282000 0.9002000       1.977000      0.8450000      0.3043000       1.235000
  1 1 1     -19   -2    1 o    7.201000      0.2182000       7.073000 0.3138000       7.328000      0.3033000     -0.2551000      0.4365000
  1 1 1     -19   -2    2 o    6.675000      0.3281000                  ?       ?   6.675000      0.3281000                  ?              ?
  1 1 1     -19   -2    3 o    9.043000      0.2185000       9.168000 0.3077000       8.919000      0.3103000      0.2485000      0.4370000
  1 1 1     -19   -2    4 o    2.670000      0.5387000       2.949000 0.7579000       2.392000      0.7658000      0.5567000       1.077000
  1 1 1     -19   -2    5 o    8.048000      0.3163000       7.918000 0.4595000       8.179000      0.4347000     -0.2611000      0.6325000
  1 1 1     -19   -2    6 o    6.170000      0.2428000       6.536000 0.3373000       5.804000      0.3495000      0.7314000      0.4857000
  1 1 1     -19   -2    7 o    5.146000      0.4229000       4.871000 0.6138000       5.421000      0.5819000     -0.5507000      0.8458000
  1 1 1     -19   -2    8 o    4.560000      0.5136000       5.680000 0.5658000       3.440000      0.8573000       2.240000       1.027000
  1 1 1     -19   -2    9 o    5.138000      0.2838000       5.099000 0.4080000       5.177000      0.3945000     -0.7894000E-01  0.5675000
  1 1 1     -19   -2   10 f    11.53000      0.2438000       11.70000 0.3424000       11.37000      0.3471000      0.3297000      0.4876000
  1 1 1     -19   -2   11 o    19.00000      0.2993000       19.29000 0.4275000       18.70000      0.4191000      0.5910000      0.5987000
  1 1 1     -19   -2   12 o    14.61000      0.2628000       14.55000 0.3704000       14.67000      0.3728000     -0.1253000      0.5256000
  1 1 1     -19   -2   13 o    7.600000      0.2710000       7.604000 0.3782000       7.595000      0.3882000      0.9233000E-02  0.5420000
  1 1 1     -19   -2   14 o    6.006000      0.3107000       5.828000 0.4487000       6.185000      0.4297000     -0.3562000      0.6213000
  1 1 1     -19   -2   15 o    15.17000      0.2731000       15.12000 0.3853000       15.22000      0.3871000     -0.9698000E-01  0.5462000
  1 1 1     -19   -2   16 o    7.096000      0.2891000       6.744000 0.4205000       7.447000      0.3968000     -0.7033000      0.5782000
  1 1 1     -19   -2   17 o    8.223000      0.2813000       8.017000 0.3954000       8.429000      0.4003000     -0.4122000      0.5627000
  1 1 1     -19   -2   18 o    22.81000      0.3494000       22.77000 0.4935000       22.84000      0.4948000     -0.7242000E-01  0.6988000
  1 1 1     -19   -2   19 o    15.22000      0.2846000       15.32000 0.4006000       15.12000      0.4043000      0.1979000      0.5691000
  1 1 1     -19   -2   20 o    4.221000      0.4647000       4.412000 0.6436000       4.030000      0.6704000      0.3828000      0.9293000
  1 1 1     -19   -2   21 o    4.109000      0.7030000       4.295000 0.9911000       3.922000      0.9974000      0.3724000       1.406000
  1 1 1     -19   -2   22 o    5.531000      0.4187000       6.043000 0.5511000       5.019000      0.6304000       1.024000      0.8373000
  1 1 1     -19   -2   23 o    2.680000      0.7520000       2.816000 1.068000       2.545000       1.060000      0.2711000       1.504000
  1 1 1     -19   -2   24 o    2.562000      0.7479000       2.559000 1.049000       2.565000       1.066000     -0.5362000E-02   1.496000
  1 1 1     -19   -2   25 f    6.717000      0.3801000       6.789000 0.5298000       6.646000      0.5452000      0.1437000      0.7602000
  1 1 1     -19   -2   26 o    9.373000      0.3318000       9.263000 0.4680000       9.483000      0.4704000     -0.2203000      0.6636000
  1 1 1     -19   -2   27 o    7.100000      0.3745000       7.087000 0.5368000       7.113000      0.5223000     -0.2654000E-01  0.7490000
  1 1 1     -19   -2   28 o    7.558000      0.3533000       8.121000 0.4778000       6.995000      0.5205000       1.125000      0.7065000
  1 1 1     -19   -2   29 f    1.820000      0.5769000       1.430000 0.6978000       2.209000      0.9189000     -0.7790000       1.154000
  1 1 1     -19   -2   30 o    2.067000      0.6231000       2.161000 0.9068000       1.974000      0.8548000      0.1870000       1.246000
  1 1 1     -19   -2   31 o    2.308000      0.6662000       2.037000 0.9306000       2.580000      0.9535000     -0.5425000       1.332000
  1 1 1     -19   -2   32 o    3.822000      0.6145000       3.344000 0.9641000       4.300000      0.7624000     -0.9558000       1.229000
  1 1 1     -19   -1    1 o    7.706000      0.2172000       7.458000 0.3091000       7.954000      0.3052000     -0.4964000      0.4344000
  1 1 1     -19   -1    2 o    6.132000      0.2385000       6.077000 0.3307000       6.186000      0.3438000     -0.1097000      0.4771000
  1 1 1     -19   -1    3 o    7.481000      0.2276000       7.795000 0.3164000       7.167000      0.3271000      0.6279000      0.4551000
  1 1 1     -19   -1    4 o    15.42000      0.3583000       15.28000 0.5074000       15.56000      0.5060000     -0.2886000      0.7166000
  1 1 1     -19   -1    5 o    10.36000      0.2242000       10.30000 0.3175000       10.42000      0.3167000     -0.1189000      0.4484000
  1 1 1     -19   -1    6 o    4.652000      0.3765000       4.725000 0.6043000       4.579000      0.4492000      0.1457000      0.7529000
  1 1 1     -19   -1    7 o    10.88000      0.3282000       10.90000 0.4541000       10.85000      0.4741000      0.5602000E-01  0.6565000
  1 1 1     -19   -1    8 o    8.756000      0.2396000       8.389000 0.3500000       9.123000      0.3272000     -0.7338000      0.4791000
  1 1 1     -19   -1    9 f    5.166000      0.2953000       5.099000 0.4171000       5.233000      0.4180000     -0.1337000      0.5905000
  1 1 1     -19   -1   10 o    4.486000      0.3524000       4.482000 0.5137000       4.491000      0.4827000     -0.8530000E-02  0.7049000
  1 1 1     -19   -1   11 o    3.107000      0.4581000       3.191000 0.6658000       3.023000      0.6292000      0.1685000      0.9161000
  1 1 1     -19   -1   12 o    5.200000      0.4093000       4.082000 0.5552000       6.318000      0.6015000      -2.237000      0.8185000
  1 1 1     -19   -1   13 o    16.27000      0.2750000       16.21000 0.3890000       16.32000      0.3887000     -0.1134000      0.5499000
  1 1 1     -19   -1   14 o    8.453000      0.2619000       8.881000 0.3642000       8.025000      0.3765000      0.8560000      0.5238000
  1 1 1     -19   -1   15 o    2.014000      0.5119000       2.529000 0.7719000       1.498000      0.6724000       1.031000       1.024000
  1 1 1     -19   -1   16 o    1.527000      0.4867000       1.321000 0.6286000       1.734000      0.7431000     -0.4137000      0.9734000
  1 1 1     -19   -1   17 o    2.523000      0.5814000       2.287000 0.8163000       2.759000      0.8280000     -0.4718000       1.163000
  1 1 1     -19   -1   18 f    7.709000      0.2882000       7.502000 0.4097000       7.916000      0.4055000     -0.4144000      0.5765000
  1 1 1     -19   -1   19 o    7.931000      0.3012000       7.975000 0.4230000       7.887000      0.4289000      0.8767000E-01  0.6023000
  1 1 1     -19   -1   20 o    3.753000      0.6837000       3.891000 0.9740000       3.614000      0.9597000      0.2777000       1.367000
  1 1 1     -19   -1   21 o    8.770000      0.3595000       9.047000 0.5761000       8.494000      0.4302000      0.5530000      0.7190000
  1 1 1     -19   -1   22 o    4.002000      0.5288000       3.620000 0.7946000       4.384000      0.6980000     -0.7632000       1.058000
  1 1 1     -19   -1   23 o    8.996000      0.4216000       8.841000 0.5737000       9.150000      0.6178000     -0.3089000      0.8431000
  1 1 1     -19   -1   24 o    6.242000      0.3772000       6.175000 0.5394000       6.309000      0.5274000     -0.1338000      0.7544000
  1 1 1     -19   -1   25 o    5.677000      0.4492000       5.318000 0.6773000       6.037000      0.5904000     -0.7187000      0.8985000
  1 1 1     -19   -1   26 o    8.443000      0.3442000       8.766000 0.4883000       8.120000      0.4853000      0.6460000      0.6884000
  1 1 1     -19   -1   27 o    6.461000      0.3948000       6.815000 0.5448000       6.108000      0.5716000      0.7067000      0.7896000
  1 1 1     -19   -1   28 o    2.552000      0.6410000       2.210000 0.8882000       2.894000      0.9245000     -0.6843000       1.282000
  1 1 1     -19   -1   29 o    3.538000      0.6632000       3.270000 0.9799000       3.806000      0.8939000     -0.5365000       1.326000
  1 1 1     -19   -1   30 o    2.261000      0.6097000       3.035000 0.9867000       1.487000      0.7164000       1.548000       1.219000
  1 1 1     -19   -1   31 o    3.475000      0.6387000       3.181000 0.9563000       3.768000      0.8469000     -0.5867000       1.277000
  1 1 1     -19    0    1 o    2.264000      0.4371000       2.777000 0.5834000       1.752000      0.6511000       1.025000      0.8743000
  1 1 1     -19    0    2 o    10.94000      0.2166000       10.80000 0.3048000       11.09000      0.3079000     -0.2961000      0.4332000
  1 1 1     -19    0    3 o    10.27000      0.3014000       10.28000 0.4338000       10.26000      0.4187000      0.1885000E-01  0.6029000
  1 1 1     -19    0    4 o    9.364000      0.2233000       9.281000 0.3196000       9.446000      0.3120000     -0.1652000      0.4466000
  1 1 1     -19    0    5 o    5.851000      0.2521000       6.090000 0.3515000       5.613000      0.3615000      0.4776000      0.5042000
  1 1 1     -19    0    6 o    5.575000      0.4007000       4.783000 0.5867000       6.366000      0.5460000      -1.584000      0.8015000
  1 1 1     -19    0    7 o    15.58000      0.2633000       15.56000 0.3722000       15.59000      0.3724000     -0.2995000E-01  0.5265000
  1 1 1     -19    0    8 f    7.836000      0.2336000       7.919000 0.3366000       7.753000      0.3239000      0.1669000      0.4671000
  1 1 1     -19    0    9 o    7.259000      0.2583000       7.519000 0.3611000       6.999000      0.3694000      0.5202000      0.5166000
  1 1 1     -19    0   10 o    4.107000      0.3544000       4.075000 0.5087000       4.139000      0.4936000     -0.6403000E-01  0.7088000
  1 1 1     -19    0   11 o    10.93000      0.2410000       11.04000 0.3439000       10.82000      0.3378000      0.2289000      0.4821000
  1 1 1     -19    0   12 o    9.195000      0.2451000       8.860000 0.3537000       9.529000      0.3394000     -0.6693000      0.4902000
  1 1 1     -19    0   13 o    7.895000      0.2511000       7.910000 0.3521000       7.881000      0.3580000      0.2926000E-01  0.5021000
  1 1 1     -19    0   14 o    18.27000      0.2950000       18.49000 0.4210000       18.04000      0.4133000      0.4479000      0.5900000
  1 1 1     -19    0   15 o    5.813000      0.3281000       6.164000 0.4473000       5.463000      0.4802000      0.7013000      0.6562000
  1 1 1     -19    0   16 o    10.16000      0.2532000       10.15000 0.3644000       10.18000      0.3516000     -0.2673000E-01  0.5064000
  1 1 1     -19    0   17 o    13.96000      0.2672000       14.34000 0.3822000       13.58000      0.3735000      0.7526000      0.5344000
  1 1 1     -19    0   18 o    8.534000      0.2714000       8.628000 0.3843000       8.439000      0.3832000      0.1885000      0.5427000
  1 1 1     -19    0   19 o    4.934000      0.3534000       4.902000 0.5133000       4.966000      0.4859000     -0.6453000E-01  0.7069000
  1 1 1     -19    0   20 o    6.339000      0.4169000       6.813000 0.5743000       5.864000      0.6045000      0.9494000      0.8338000
  1 1 1     -19    0   21 o    7.583000      0.3070000       7.571000 0.4332000       7.596000      0.4352000     -0.2583000E-01  0.6140000
  1 1 1     -19    0   22 o    3.158000      0.7388000       2.289000 0.9828000       4.028000       1.103000      -1.739000       1.478000
  1 1 1     -19    0   23 o    8.399000      0.4564000       8.991000 0.5724000       7.806000      0.7111000       1.185000      0.9129000
  1 1 1     -19    0   24 o    7.140000      0.3398000       7.289000 0.4933000       6.991000      0.4674000      0.2982000      0.6796000
  1 1 1     -19    0   25 o    3.348000      0.6337000       4.037000 0.8270000       2.659000      0.9604000       1.378000       1.267000
  1 1 1     -19    0   26 o    3.737000      0.6275000       4.059000 0.8505000       3.415000      0.9230000      0.6442000       1.255000
  1 1 1     -19    0   27 o    2.317000      0.6327000       2.153000 0.8711000       2.481000      0.9177000     -0.3273000       1.265000
  1 1 1     -19    0   28 o    4.536000      0.5484000       4.374000 0.8214000       4.699000      0.7269000     -0.3253000       1.097000
  1 1 1     -19    0   29 o    6.322000      0.3924000       5.808000 0.6090000       6.836000      0.4951000      -1.028000      0.7848000
  1 1 1     -19    0   30 o    2.745000      0.5532000       3.861000 0.8170000       1.630000      0.7461000       2.231000       1.106000
  1 1 1     -19    0   31 o    3.003000      0.6803000       2.673000 0.9718000       3.333000      0.9524000     -0.6598000       1.361000
  1 1 1     -19    1    1 o    4.182000      0.3159000       4.048000 0.4126000       4.317000      0.4784000     -0.2689000      0.6318000
  1 1 1     -19    1    2 o    16.11000      0.3628000       15.91000 0.5107000       16.32000      0.5155000     -0.4063000      0.7256000
  1 1 1     -19    1    4 o    8.202000      0.2178000       8.284000 0.3064000       8.120000      0.3097000      0.1644000      0.4357000
  1 1 1     -19    1    5 f    3.629000      0.5380000       3.882000 0.7266000       3.376000      0.7935000      0.5055000       1.076000
  1 1 1     -19    1    6 o    7.372000      0.3316000       7.524000 0.4677000       7.220000      0.4703000      0.3040000      0.6633000
  1 1 1     -19    1    7 o    7.524000      0.2380000       7.544000 0.3417000       7.504000      0.3315000      0.3970000E-01  0.4761000
  1 1 1     -19    1    8 o    6.877000      0.2473000       6.621000 0.3524000       7.133000      0.3469000     -0.5113000      0.4945000
  1 1 1     -19    1    9 o    5.923000      0.2722000       5.866000 0.3907000       5.979000      0.3790000     -0.1127000      0.5443000
  1 1 1     -19    1   10 o    3.346000      0.4425000       3.634000 0.5926000       3.058000      0.6573000      0.5751000      0.8850000
  1 1 1     -19    1   11 o    9.176000      0.2403000       9.137000 0.3425000       9.215000      0.3370000     -0.7794000E-01  0.4805000
  1 1 1     -19    1   12 o    6.408000      0.2658000       6.380000 0.3819000       6.436000      0.3699000     -0.5638000E-01  0.5317000
  1 1 1     -19    1   13 o    4.998000      0.3406000       4.489000 0.5170000       5.507000      0.4436000      -1.018000      0.6812000
  1 1 1     -19    1   14 o    9.623000      0.2561000       10.08000 0.3590000       9.169000      0.3653000      0.9073000      0.5122000
  1 1 1     -19    1   15 o    7.311000      0.2646000       7.601000 0.3687000       7.022000      0.3796000      0.5793000      0.5292000
  1 1 1     -19    1   16 o    8.429000      0.2651000       8.711000 0.3721000       8.146000      0.3776000      0.5651000      0.5301000
  1 1 1     -19    1   17 o    7.333000      0.2806000       7.521000 0.3957000       7.145000      0.3981000      0.3759000      0.5613000
  1 1 1     -19    1   18 o    5.037000      0.3985000       4.590000 0.6160000       5.485000      0.5055000     -0.8948000      0.7969000
  1 1 1     -19    1   19 o    3.587000      0.6449000       3.340000 0.9713000       3.835000      0.8487000     -0.4955000       1.290000
  1 1 1     -19    1   20 o    5.274000      0.3703000       5.237000 0.5276000       5.312000      0.5196000     -0.7472000E-01  0.7405000
  1 1 1     -19    1   21 o    5.021000      0.3946000       4.588000 0.5930000       5.454000      0.5207000     -0.8664000      0.7892000
  1 1 1     -19    1   22 o    4.864000      0.6865000       5.051000 0.9328000       4.678000       1.008000      0.3733000       1.373000
  1 1 1     -19    1   23 o    5.977000      0.3809000       6.102000 0.5484000       5.852000      0.5287000      0.2496000      0.7618000
  1 1 1     -19    1   24 o    2.824000      0.6293000       3.278000 0.8884000       2.369000      0.8916000      0.9091000       1.259000
  1 1 1     -19    1   25 o    2.217000      0.6083000       2.392000 0.8739000       2.043000      0.8463000      0.3492000       1.217000
  1 1 1     -19    1   26 o    4.708000      0.5242000       3.627000 0.8779000       5.789000      0.5732000      -2.162000       1.048000
  1 1 1     -19    1   27 o    3.443000      0.6396000       3.297000 0.9347000       3.589000      0.8732000     -0.2920000       1.279000
  1 1 1     -19    1   28 f    4.020000      0.5812000       3.492000 0.9156000       4.549000      0.7161000      -1.057000       1.162000
  1 1 1     -19    1   29 o    7.510000      0.3499000       7.437000 0.4948000       7.584000      0.4948000     -0.1472000      0.6998000
  1 1 1     -19    1   30 o    2.689000      0.9474000       2.689000 0.9474000                  ?              ?              ?              ?
  1 1 1     -19    1   31 o    1.811000      0.5694000       2.086000 0.8808000       1.536000      0.7220000      0.5495000       1.139000
  1 1 1     -19    2    1 o    4.397000      0.5593000       4.397000 0.5593000                  ?              ?              ?              ?
  1 1 1     -19    2    2 o    4.964000      0.4392000       5.123000 0.5079000       4.804000      0.7167000      0.3184000      0.8784000
  1 1 1     -19    2    3 o    8.009000      0.3524000                  ?       ?   8.009000      0.3524000                  ?              ?
  1 1 1     -19    2    4 o    7.352000      0.3430000       7.091000 0.4817000       7.613000      0.4884000     -0.5218000      0.6859000
  1 1 1     -19    2    5 o    5.512000      0.3903000       5.937000 0.5176000       5.088000      0.5844000      0.8484000      0.7806000
  1 1 1     -19    2    6 o    8.942000      0.2361000       9.040000 0.3154000       8.843000      0.3513000      0.1972000      0.4721000
  1 1 1     -19    2    7 o    2.694000      0.4591000       2.842000 0.6422000       2.546000      0.6562000      0.2967000      0.9182000
  1 1 1     -19    2    8 o    2.829000      0.4613000       3.230000 0.5819000       2.427000      0.7159000      0.8035000      0.9225000
  1 1 1     -19    2    9 o    7.114000      0.2439000       6.685000 0.3533000       7.542000      0.3363000     -0.8572000      0.4877000
  1 1 1     -19    2   10 o    4.259000      0.3508000       4.719000 0.4530000       3.798000      0.5357000      0.9208000      0.7015000
  1 1 1     -19    2   11 o    2.646000      0.4903000       3.322000 0.6532000       1.971000      0.7314000       1.350000      0.9806000
  1 1 1     -19    2   12 o    6.960000      0.2702000       6.396000 0.4072000       7.524000      0.3553000      -1.128000      0.5405000
  1 1 1     -19    2   13 o    6.422000      0.2824000       6.644000 0.3894000       6.200000      0.4091000      0.4437000      0.5648000
  1 1 1     -19    2   14 o    2.786000      0.5184000       2.689000 0.7417000       2.883000      0.7245000     -0.1941000       1.037000
  1 1 1     -19    2   15 o    18.83000      0.3025000       19.31000 0.4343000       18.35000      0.4212000      0.9518000      0.6050000
  1 1 1     -19    2   16 o    17.59000      0.2931000       17.20000 0.4099000       17.98000      0.4192000     -0.7759000      0.5863000
  1 1 1     -19    2   17 o    4.406000      0.3854000       4.082000 0.5934000       4.731000      0.4918000     -0.6494000      0.7707000
  1 1 1     -19    2   18 f    2.435000      0.6217000       3.050000 0.9423000       1.819000      0.8113000       1.231000       1.243000
  1 1 1     -19    2   19 o    8.120000      0.2969000       8.052000 0.4238000       8.188000      0.4159000     -0.1358000      0.5938000
  1 1 1     -19    2   20 o    6.932000      0.3213000       6.434000 0.4762000       7.431000      0.4315000     -0.9970000      0.6426000
  1 1 1     -19    2   21 o    3.839000      0.7212000       4.208000 0.9675000       3.470000       1.070000      0.7376000       1.442000
  1 1 1     -19    2   22 o    7.612000      0.3116000       7.624000 0.4354000       7.600000      0.4458000      0.2497000E-01  0.6231000
  1 1 1     -19    2   23 o    5.797000      0.3650000       5.552000 0.5396000       6.042000      0.4917000     -0.4901000      0.7300000
  1 1 1     -19    2   24 o    3.952000      0.5433000       5.074000 0.6120000       2.830000      0.8979000       2.245000       1.087000
  1 1 1     -19    2   25 o    5.169000      0.4235000       5.377000 0.5717000       4.962000      0.6251000      0.4159000      0.8471000
  1 1 1     -19    2   26 o    6.082000      0.3758000       6.344000 0.5253000       5.820000      0.5375000      0.5239000      0.7515000
  1 1 1     -19    2   27 o    3.319000      0.5894000       3.814000 0.7797000       2.824000      0.8840000      0.9907000       1.179000
  1 1 1     -19    2   28 f    3.606000      0.5690000       3.235000 0.8726000       3.978000      0.7304000     -0.7426000       1.138000
  1 1 1     -19    2   29 o    3.471000      0.6313000       3.321000 0.8981000       3.622000      0.8874000     -0.3003000       1.263000
  1 1 1     -19    2   30 o    2.607000      0.9241000       2.607000 0.9241000                  ?              ?              ?              ?
  1 1 1     -19    3    1 o    1.840000      0.6404000       1.840000 0.6404000                  ?              ?              ?              ?
  1 1 1     -19    3    2 o    11.01000      0.2322000       11.33000 0.3139000       10.69000      0.3423000      0.6424000      0.4644000
  1 1 1     -19    3    3 o    17.28000      0.5607000                  ?       ?   17.28000      0.5607000                  ?              ?
  1 1 1     -19    3    4 o    17.08000      0.3902000       16.92000 0.5412000       17.25000      0.5623000     -0.3271000      0.7804000
  1 1 1     -19    3    5 o    2.787000      0.5001000       3.052000 0.6391000       2.522000      0.7694000      0.5299000       1.000000
  1 1 1     -19    3    6 f    10.01000      0.2374000       10.50000 0.3182000       9.522000      0.3523000      0.9738000      0.4747000
  1 1 1     -19    3    7 o    3.253000      0.4591000       2.544000 0.6911000       3.961000      0.6046000      -1.417000      0.9182000
  1 1 1     -19    3    8 o    9.799000      0.2408000       9.665000 0.3249000       9.934000      0.3556000     -0.2694000      0.4816000
  1 1 1     -19    3    9 o    9.252000      0.2443000       9.162000 0.3296000       9.342000      0.3608000     -0.1803000      0.4887000
  1 1 1     -19    3   10 o    6.504000      0.2913000       6.588000 0.3897000       6.419000      0.4332000      0.1696000      0.5826000
  1 1 1     -19    3   11 o    3.174000      0.5045000       2.939000 0.7112000       3.410000      0.7158000     -0.4714000       1.009000
  1 1 1     -19    3   12 o    2.276000      0.5275000       2.538000 0.7185000       2.015000      0.7727000      0.5237000       1.055000
  1 1 1     -19    3   13 o    16.25000      0.3438000       16.14000 0.3900000       16.37000      0.5663000     -0.2277000      0.6876000
  1 1 1     -19    3   14 o    12.34000      0.2528000       12.04000 0.3550000       12.65000      0.3600000     -0.6123000      0.5056000
  1 1 1     -19    3   15 o    14.53000      0.2686000       14.40000 0.3810000       14.67000      0.3786000     -0.2669000      0.5371000
  1 1 1     -19    3   16 o    8.464000      0.2641000       8.370000 0.3749000       8.559000      0.3721000     -0.1887000      0.5282000
  1 1 1     -19    3   17 o    6.948000      0.4017000       6.471000 0.6104000       7.425000      0.5223000     -0.9542000      0.8034000
  1 1 1     -19    3   18 o    4.527000      0.5238000       3.797000 0.8252000       5.257000      0.6453000      -1.460000       1.048000
  1 1 1     -19    3   19 o    2.397000      0.5735000       2.750000 0.8125000       2.044000      0.8095000      0.7060000       1.147000
  1 1 1     -19    3   20 o    4.650000      0.7220000       4.526000 1.005000       4.774000       1.037000     -0.2477000       1.444000
  1 1 1     -19    3   21 o    6.807000      0.4332000       6.890000 0.7359000       6.724000      0.4571000      0.1657000      0.8664000
  1 1 1     -19    3   22 o    2.673000      0.5808000       3.312000 0.8115000       2.034000      0.8311000       1.278000       1.162000
  1 1 1     -19    3   23 f    2.394000      0.5878000       3.050000 0.8928000       1.737000      0.7647000       1.313000       1.176000
  1 1 1     -19    3   24 o    2.900000      0.6245000       3.262000 0.8647000       2.537000      0.9013000      0.7252000       1.249000
  1 1 1     -19    3   25 f    2.043000      0.5963000       2.327000 0.8896000       1.759000      0.7944000      0.5680000       1.193000
  1 1 1     -19    3   26 o    2.996000      0.5823000       3.834000 0.8046000       2.157000      0.8419000       1.677000       1.165000
  1 1 1     -19    3   27 o    6.530000      0.3579000       6.244000 0.5328000       6.815000      0.4781000     -0.5709000      0.7158000
  1 1 1     -19    3   28 o    1.773000      0.5546000       1.383000 0.6726000       2.163000      0.8820000     -0.7808000       1.109000
  1 1 1     -19    3   29 o    3.322000      0.6440000       3.077000 0.9260000       3.566000      0.8953000     -0.4892000       1.288000
  1 1 1     -19    3   30 o    2.828000      0.6170000       2.021000 0.8592000       3.635000      0.8857000      -1.614000       1.234000
  1 1 1     -19    4    1 o    2.323000      0.4805000       2.755000 0.6142000       1.890000      0.7391000      0.8651000      0.9610000
  1 1 1     -19    4    2 o    3.594000      0.5376000       3.433000 0.7160000       3.755000      0.8021000     -0.3215000       1.075000
  1 1 1     -19    4    3 o    7.507000      0.3397000       7.099000 0.4583000       7.914000      0.5016000     -0.8145000      0.6794000
  1 1 1     -19    4    4 o    11.08000      0.2361000       11.47000 0.3205000       10.70000      0.3467000      0.7767000      0.4721000
  1 1 1     -19    4    5 o    9.015000      0.2354000       9.171000 0.3118000       8.859000      0.3528000      0.3120000      0.4708000
  1 1 1     -19    4    6 o    6.729000      0.2579000       6.938000 0.3301000       6.521000      0.3964000      0.4164000      0.5159000
  1 1 1     -19    4    7 o    2.176000      0.4964000       1.592000 0.6622000       2.760000      0.7398000      -1.168000      0.9929000
  1 1 1     -19    4    8 f    5.659000      0.2970000       5.286000 0.4108000       6.032000      0.4290000     -0.7466000      0.5939000
  1 1 1     -19    4    9 o    5.114000      0.3133000       4.862000 0.4211000       5.365000      0.4639000     -0.5029000      0.6265000
  1 1 1     -19    4   10 o    6.797000      0.2703000       6.418000 0.3675000       7.175000      0.3965000     -0.7566000      0.5406000
  1 1 1     -19    4   11 o    8.978000      0.2563000       8.907000 0.3489000       9.048000      0.3756000     -0.1404000      0.5127000
  1 1 1     -19    4   12 o    12.37000      0.2577000       12.40000 0.3535000       12.34000      0.3750000      0.5226000E-01  0.5153000
  1 1 1     -19    4   13 o    16.33000      0.2841000       16.05000 0.3891000       16.62000      0.4141000     -0.5613000      0.5682000
  1 1 1     -19    4   14 o    6.695000      0.3064000       7.039000 0.3823000       6.351000      0.4790000      0.6885000      0.6129000
  1 1 1     -19    4   15 o    3.789000      0.5007000       4.055000 0.6154000       3.522000      0.7899000      0.5334000       1.001000
  1 1 1     -19    4   16 o    4.103000      0.6303000       5.180000 0.6282000       3.027000       1.093000       2.154000       1.261000
  1 1 1     -19    4   17 o    8.312000      0.4363000       8.637000 0.5371000       7.987000      0.6878000      0.6493000      0.8726000
  1 1 1     -19    4   18 o    4.170000      0.4993000       3.956000 0.6607000       4.385000      0.7489000     -0.4299000      0.9987000
  1 1 1     -19    4   19 o    5.516000      0.5662000       5.021000 0.8597000       6.012000      0.7372000     -0.9916000       1.132000
  1 1 1     -19    4   20 o    7.423000      0.4804000       6.854000 0.7093000       7.991000      0.6481000      -1.137000      0.9608000
  1 1 1     -19    4   21 o    3.078000      0.6191000       2.444000 0.8534000       3.712000      0.8971000      -1.268000       1.238000
  1 1 1     -19    4   22 o    6.066000      0.4047000       5.423000 0.5697000       6.709000      0.5749000      -1.286000      0.8094000
  1 1 1     -19    4   23 o    7.023000      0.3660000       7.267000 0.4590000       6.780000      0.5702000      0.4873000      0.7320000
  1 1 1     -19    4   24 f    6.673000      0.3953000       6.654000 0.4995000       6.693000      0.6130000     -0.3852000E-01  0.7907000
  1 1 1     -19    4   25 o    4.419000      0.5579000       4.465000 0.7334000       4.373000      0.8409000      0.9162000E-01   1.116000
  1 1 1     -19    4   26 o    2.146000      0.6547000       2.162000 0.8717000       2.131000      0.9771000      0.3102000E-01   1.309000
  1 1 1     -19    4   27 o    2.756000      0.6948000       3.025000 0.8800000       2.487000       1.075000      0.5372000       1.390000
  1 1 1     -19    4   28 o    2.597000      0.6985000       1.655000 0.7559000       3.540000       1.175000      -1.885000       1.397000
  1 1 1     -19    4   29 o    3.011000      0.7264000       2.132000 0.8531000       3.890000       1.176000      -1.758000       1.453000
  1 1 1     -19    5    1 o    11.46000      0.3269000       11.66000 0.4469000       11.25000      0.4773000      0.4028000      0.6539000
  1 1 1     -19    5    2 o    4.496000      0.3917000       4.515000 0.3985000       4.477000      0.6744000      0.3861000E-01  0.7833000
  1 1 1     -19    5    3 o    7.039000      0.2483000       6.527000 0.3310000       7.550000      0.3702000      -1.023000      0.4966000
  1 1 1     -19    5    4 o    8.920000      0.2363000       9.043000 0.3052000       8.796000      0.3608000      0.2473000      0.4725000
  1 1 1     -19    5    5 o    8.958000      0.2391000       9.160000 0.3150000       8.757000      0.3599000      0.4028000      0.4782000
  1 1 1     -19    5    6 o    7.077000      0.2545000       6.777000 0.3414000       7.377000      0.3776000     -0.6002000      0.5091000
  1 1 1     -19    5    7 f    5.521000      0.2827000       5.254000 0.3738000       5.787000      0.4241000     -0.5328000      0.5654000
  1 1 1     -19    5    8 o    1.749000      0.4996000       1.503000 0.6580000       1.996000      0.7520000     -0.4937000      0.9992000
  1 1 1     -19    5    9 o    7.361000      0.2628000       7.365000 0.3554000       7.358000      0.3871000      0.6625000E-02  0.5255000
  1 1 1     -19    5   10 o    4.239000      0.3914000       3.923000 0.5774000       4.554000      0.5286000     -0.6309000      0.7828000
  1 1 1     -19    5   11 o    7.755000      0.2731000       7.363000 0.3663000       8.148000      0.4051000     -0.7856000      0.5461000
  1 1 1     -19    5   12 o    10.61000      0.2616000       10.60000 0.3533000       10.63000      0.3859000     -0.2889000E-01  0.5233000
  1 1 1     -19    5   13 o    6.055000      0.3332000       6.039000 0.4398000       6.072000      0.5006000     -0.3258000E-01  0.6664000
  1 1 1     -19    5   14 o    8.431000      0.2924000       8.943000 0.3742000       7.919000      0.4494000       1.023000      0.5848000
  1 1 1     -19    5   15 o    10.90000      0.3927000       11.16000 0.4983000       10.64000      0.6071000      0.5195000      0.7854000
  1 1 1     -19    5   16 o    5.644000      0.5299000       5.669000 0.6088000       5.619000      0.8674000      0.4970000E-01   1.060000
  1 1 1     -19    5   17 o    10.36000      0.3438000       9.672000 0.5445000       11.04000      0.4198000      -1.371000      0.6875000
  1 1 1     -19    5   18 o    7.026000      0.4589000       7.157000 0.6253000       6.895000      0.6719000      0.2619000      0.9179000
  1 1 1     -19    5   19 o    6.062000      0.5094000       6.230000 0.6823000       5.894000      0.7565000      0.3362000       1.019000
  1 1 1     -19    5   20 o    3.075000      0.6313000       2.895000 0.8720000       3.254000      0.9130000     -0.3583000       1.263000
  1 1 1     -19    5   21 o    8.852000      0.3166000       8.896000 0.4053000       8.808000      0.4865000      0.8809000E-01  0.6332000
  1 1 1     -19    5   22 o    7.906000      0.3573000       7.634000 0.4806000       8.179000      0.5288000     -0.5447000      0.7146000
  1 1 1     -19    5   23 o    8.266000      0.3515000       8.041000 0.4795000       8.490000      0.5141000     -0.4487000      0.7030000
  1 1 1     -19    5   24 o    3.984000      0.6156000       3.102000 0.8863000       4.867000      0.8547000      -1.765000       1.231000
  1 1 1     -19    5   25 o    1.983000      0.6034000       2.142000 0.8706000       1.824000      0.8356000      0.3173000       1.207000
  1 1 1     -19    5   26 o    3.263000      0.6657000       3.083000 0.9183000       3.443000      0.9641000     -0.3604000       1.331000
  1 1 1     -19    5   27 o    3.616000      0.6343000       3.900000 0.8461000       3.332000      0.9453000      0.5684000       1.269000
  1 1 1     -19    5   28 o    2.301000      0.6359000       2.568000 0.9369000       2.035000      0.8601000      0.5324000       1.272000
  1 1 1     -19    5   29 o    1.703000      0.5501000       1.886000 0.8272000       1.520000      0.7253000      0.3657000       1.100000
  1 1 1     -19    6    1 o    9.746000      0.2407000       9.745000 0.3314000       9.748000      0.3491000     -0.2953000E-02  0.4814000
  1 1 1     -19    6    2 o    3.993000      0.6443000       3.993000 0.6443000                  ?              ?              ?              ?
  1 1 1     -19    6    3 o    7.829000      0.2417000       7.774000 0.3190000       7.884000      0.3631000     -0.1101000      0.4833000
  1 1 1     -19    6    4 o    7.507000      0.3757000                  ?       ?   7.507000      0.3757000                  ?              ?
  1 1 1     -19    6    5 o    7.346000      0.2578000       7.686000 0.3278000       7.006000      0.3980000      0.6809000      0.5156000
  1 1 1     -19    6    6 o    6.340000      0.2745000       6.362000 0.3563000       6.317000      0.4176000      0.4439000E-01  0.5490000
  1 1 1     -19    6    7 o    3.244000      0.4591000       3.211000 0.5947000       3.277000      0.6997000     -0.6573000E-01  0.9183000
  1 1 1     -19    6    8 o    1.853000      0.5178000       1.791000 0.6941000       1.916000      0.7685000     -0.1246000       1.036000
  1 1 1     -19    6    9 o    4.731000      0.3601000       4.762000 0.4675000       4.701000      0.5479000      0.6174000E-01  0.7202000
  1 1 1     -19    6   10 o    8.623000      0.2645000       8.718000 0.3473000       8.528000      0.3991000      0.1900000      0.5291000
  1 1 1     -19    6   11 o    5.036000      0.3667000       5.470000 0.4379000       4.602000      0.5883000      0.8681000      0.7334000
  1 1 1     -19    6   12 o    6.286000      0.3113000       6.266000 0.4045000       6.306000      0.4733000     -0.4024000E-01  0.6226000
  1 1 1     -19    6   13 o    7.964000      0.2938000       8.369000 0.3682000       7.558000      0.4579000      0.8110000      0.5876000
  1 1 1     -19    6   14 f    3.604000      0.6959000       4.169000 0.8647000       3.039000       1.091000       1.130000       1.392000
  1 1 1     -19    6   15 o    6.593000      0.4688000       6.385000 0.5556000       6.801000      0.7552000     -0.4162000      0.9376000
  1 1 1     -19    6   16 o    14.31000      0.2842000       14.38000 0.3848000       14.25000      0.4183000      0.1390000      0.5684000
  1 1 1     -19    6   17 f    11.99000      0.3885000       11.50000 0.5460000       12.47000      0.5529000     -0.9758000      0.7771000
  1 1 1     -19    6   18 o    5.870000      0.5520000       6.100000 0.7087000       5.639000      0.8465000      0.4606000       1.104000
  1 1 1     -19    6   19 o    2.166000      0.6211000       1.923000 0.8139000       2.409000      0.9385000     -0.4855000       1.242000
  1 1 1     -19    6   20 o    7.074000      0.3665000       7.032000 0.4791000       7.115000      0.5548000     -0.8235000E-01  0.7331000
  1 1 1     -19    6   21 o    2.577000      0.6658000       2.278000 0.8776000       2.876000       1.002000     -0.5976000       1.332000
  1 1 1     -19    6   22 o    5.002000      0.5330000       5.233000 0.6335000       4.770000      0.8572000      0.4627000       1.066000
  1 1 1     -19    6   23 o    3.900000      0.6282000       4.191000 0.7392000       3.608000       1.016000      0.5830000       1.256000
  1 1 1     -19    6   24 o    2.850000      0.6369000       3.518000 0.8738000       2.181000      0.9269000       1.337000       1.274000
  1 1 1     -19    6   25 o    3.152000      0.6645000       2.887000 0.9433000       3.418000      0.9362000     -0.5312000       1.329000
  1 1 1     -19    6   26 f    3.485000      0.6141000       2.673000 0.8928000       4.298000      0.8435000      -1.625000       1.228000
  1 1 1     -19    6   27 o    1.930000      0.5929000       1.928000 0.8373000       1.932000      0.8398000     -0.3941000E-02   1.186000
  1 1 1     -19    6   28 f    2.556000      0.6524000       2.429000 0.9071000       2.683000      0.9380000     -0.2539000       1.305000
  1 1 1     -19    7    1 o    15.17000      0.2627000       15.07000 0.3715000       15.27000      0.3714000     -0.1978000      0.5253000
  1 1 1     -19    7    2 o    7.249000      0.3691000       7.249000 0.3691000                  ?              ?              ?              ?
  1 1 1     -19    7    3 o    10.79000      0.2460000       10.54000 0.3464000       11.03000      0.3495000     -0.4983000      0.4920000
  1 1 1     -19    7    4 o    5.262000      0.3247000       5.163000 0.4506000       5.360000      0.4678000     -0.1971000      0.6495000
  1 1 1     -19    7    5 o    6.480000      0.3334000       5.882000 0.5284000       7.078000      0.4069000      -1.196000      0.6669000
  1 1 1     -19    7    6 f    11.90000      0.2443000       12.10000 0.3367000       11.70000      0.3540000      0.3934000      0.4886000
  1 1 1     -19    7    7 o    17.01000      0.2806000       16.81000 0.3850000       17.21000      0.4083000     -0.4020000      0.5611000
  1 1 1     -19    7    8 o    5.237000      0.3409000       5.404000 0.4063000       5.070000      0.5476000      0.3341000      0.6819000
  1 1 1     -19    7    9 o    9.749000      0.2973000       9.645000 0.4615000       9.854000      0.3749000     -0.2095000      0.5946000
  1 1 1     -19    7   10 o    13.08000      0.2594000       12.91000 0.3483000       13.25000      0.3845000     -0.3403000      0.5188000
  1 1 1     -19    7   11 o    6.948000      0.2983000       7.326000 0.3739000       6.571000      0.4649000      0.7555000      0.5966000
  1 1 1     -19    7   12 o    15.45000      0.2812000       15.30000 0.3821000       15.61000      0.4127000     -0.3085000      0.5624000
  1 1 1     -19    7   13 o    10.67000      0.4018000       11.50000 0.5010000       9.847000      0.6284000       1.649000      0.8036000
  1 1 1     -19    7   14 o    4.900000      0.5991000       4.906000 0.7506000       4.895000      0.9339000      0.1004000E-01   1.198000
  1 1 1     -19    7   15 o    2.489000      0.5978000       2.132000 0.8084000       2.846000      0.8808000     -0.7144000       1.196000
  1 1 1     -19    7   16 f    2.921000      0.6549000       2.220000 0.9018000       3.621000      0.9498000      -1.401000       1.310000
  1 1 1     -19    7   17 o    5.838000      0.5321000       5.532000 0.7549000       6.145000      0.7501000     -0.6128000       1.064000
  1 1 1     -19    7   18 o    4.396000      0.5251000       5.646000 0.5280000       3.145000      0.9079000       2.501000       1.050000
  1 1 1     -19    7   19 o    2.193000      0.5779000       2.707000 0.8565000       1.679000      0.7760000       1.028000       1.156000
  1 1 1     -19    7   20 o    4.041000      0.5932000       4.149000 0.7466000       3.933000      0.9220000      0.2158000       1.186000
  1 1 1     -19    7   21 o    7.718000      0.3534000       7.399000 0.4598000       8.037000      0.5368000     -0.6373000      0.7068000
  1 1 1     -19    7   22 o    5.366000      0.4713000       5.523000 0.5436000       5.209000      0.7699000      0.3137000      0.9425000
  1 1 1     -19    7   23 o    3.601000      0.6437000       3.983000 0.7972000       3.218000       1.011000      0.7652000       1.287000
  1 1 1     -19    7   24 o    3.471000      0.6666000       3.208000 0.9246000       3.734000      0.9606000     -0.5255000       1.333000
  1 1 1     -19    7   25 o    4.688000      0.5549000       5.567000 0.6057000       3.810000      0.9299000       1.756000       1.110000
  1 1 1     -19    7   26 o    2.016000      0.6060000       2.263000 0.9064000       1.770000      0.8046000      0.4925000       1.212000
  1 1 1     -19    7   27 o    2.912000      0.6529000       3.316000 0.9327000       2.507000      0.9139000      0.8091000       1.306000
  1 1 1     -19    7   28 o    1.826000      0.8708000                  ?       ?   1.826000      0.8708000                  ?              ?
  1 1 1     -19    8    1 o    17.17000      0.2817000       17.00000 0.3967000       17.35000      0.4001000     -0.3481000      0.5634000
  1 1 1     -19    8    2 o    4.275000      0.3823000       4.377000 0.5138000       4.174000      0.5663000      0.2028000      0.7647000
  1 1 1     -19    8    3 o    2.279000      0.5493000       2.287000 0.7562000       2.270000      0.7969000      0.1663000E-01   1.099000
  1 1 1     -19    8    4 o    3.637000      0.4584000       3.774000 0.6274000       3.501000      0.6686000      0.2727000      0.9169000
  1 1 1     -19    8    5 o    7.566000      0.2645000       7.597000 0.3740000       7.535000      0.3742000      0.6206000E-01  0.5291000
  1 1 1     -19    8    6 o    12.54000      0.2630000       12.17000 0.3776000       12.92000      0.3661000     -0.7434000      0.5259000
  1 1 1     -19    8    7 o    7.077000      0.2842000       6.912000 0.3920000       7.242000      0.4117000     -0.3296000      0.5685000
  1 1 1     -19    8    8 o    7.857000      0.2669000       7.685000 0.3512000       8.028000      0.4021000     -0.3436000      0.5339000
  1 1 1     -19    8    9 o    15.32000      0.2736000       15.34000 0.3746000       15.31000      0.3988000      0.3210000E-01  0.5471000
  1 1 1     -19    8   10 o    3.194000      0.5297000       3.799000 0.5936000       2.590000      0.8776000       1.209000       1.059000
  1 1 1     -19    8   11 o    5.511000      0.3431000       5.537000 0.4276000       5.485000      0.5367000      0.5236000E-01  0.6863000
  1 1 1     -19    8   12 o    1.932000      0.6088000       1.575000 0.7312000       2.288000      0.9737000     -0.7122000       1.218000
  1 1 1     -19    8   13 o    6.990000      0.3219000       7.283000 0.3861000       6.697000      0.5151000      0.5855000      0.6437000
  1 1 1     -19    8   14 o    2.071000      0.5594000       2.432000 0.8066000       1.711000      0.7752000      0.7208000       1.119000
  1 1 1     -19    8   15 o    2.180000      0.6451000       2.393000 0.9351000       1.967000      0.8890000      0.4259000       1.290000
  1 1 1     -19    8   16 o    3.844000      0.6502000       2.695000 0.9646000       4.993000      0.8722000      -2.298000       1.300000
  1 1 1     -19    8   17 o    1.906000      0.5402000       1.206000 0.5882000       2.607000      0.9063000      -1.401000       1.080000
  1 1 1     -19    8   18 o    4.589000      0.5083000       3.423000 0.8130000       5.754000      0.6105000      -2.331000       1.017000
  1 1 1     -19    8   19 o    8.859000      0.3121000       8.636000 0.4081000       9.082000      0.4722000     -0.4458000      0.6241000
  1 1 1     -19    8   20 o    9.786000      0.3113000       9.355000 0.4105000       10.22000      0.4682000     -0.8624000      0.6227000
  1 1 1     -19    8   21 o    6.191000      0.4265000       6.305000 0.5324000       6.077000      0.6664000      0.2284000      0.8530000
  1 1 1     -19    8   22 o    3.540000      0.6491000       3.157000 0.8913000       3.922000      0.9439000     -0.7648000       1.298000
  1 1 1     -19    8   23 o    2.703000      0.6468000       2.084000 0.8344000       3.322000      0.9886000      -1.238000       1.294000
  1 1 1     -19    8   24 o    2.769000      0.6522000       3.001000 0.8974000       2.537000      0.9466000      0.4644000       1.304000
  1 1 1     -19    8   25 o    2.302000      0.6059000       2.816000 0.9004000       1.788000      0.8111000       1.028000       1.212000
  1 1 1     -19    8   26 o    1.954000      0.5955000       1.848000 0.8154000       2.060000      0.8682000     -0.2128000       1.191000
  1 1 1     -19    8   27 o    2.411000      0.6346000       2.176000 0.8768000       2.645000      0.9178000     -0.4687000       1.269000
  1 1 1     -19    9    1 o    6.135000      0.2840000       6.084000 0.4052000       6.185000      0.3981000     -0.1013000      0.5680000
  1 1 1     -19    9    2 o    12.10000      0.2505000       12.12000 0.3529000       12.09000      0.3558000      0.2836000E-01  0.5011000
  1 1 1     -19    9    3 o    2.087000      0.5379000       1.762000 0.7245000       2.412000      0.7953000     -0.6498000       1.076000
  1 1 1     -19    9    4 o    8.210000      0.2666000       8.208000 0.3773000       8.211000      0.3766000     -0.2443000E-02  0.5331000
  1 1 1     -19    9    5 o    9.536000      0.2569000       9.410000 0.3672000       9.662000      0.3594000     -0.2516000      0.5138000
  1 1 1     -19    9    6 o    13.31000      0.2655000       13.19000 0.3806000       13.43000      0.3704000     -0.2422000      0.5311000
  1 1 1     -19    9    7 o    14.98000      0.2763000       14.75000 0.3910000       15.21000      0.3905000     -0.4601000      0.5526000
  1 1 1     -19    9    8 o    13.04000      0.2707000       12.75000 0.3841000       13.33000      0.3817000     -0.5820000      0.5415000
  1 1 1     -19    9    9 o    5.685000      0.3568000       5.588000 0.4965000       5.781000      0.5125000     -0.1923000      0.7136000
  1 1 1     -19    9   10 f    7.648000      0.3312000       7.850000 0.4879000       7.447000      0.4481000      0.4032000      0.6624000
  1 1 1     -19    9   11 o    3.826000      0.6566000       4.355000 0.7430000       3.297000       1.083000       1.058000       1.313000
  1 1 1     -19    9   12 o    4.212000      0.4451000       4.712000 0.4812000       3.712000      0.7490000       1.000000      0.8903000
  1 1 1     -19    9   13 o    7.452000      0.3052000       7.344000 0.3887000       7.559000      0.4706000     -0.2150000      0.6104000
  1 1 1     -19    9   14 o    3.461000      0.7303000       3.767000 0.9756000       3.154000       1.087000      0.6124000       1.461000
  1 1 1     -19    9   15 o    4.010000      0.5308000       4.403000 0.5856000       3.617000      0.8854000      0.7864000       1.062000
  1 1 1     -19    9   16 o    6.681000      0.3546000       6.825000 0.4349000       6.536000      0.5601000      0.2894000      0.7092000
  1 1 1     -19    9   17 o    1.703000      0.5408000       1.386000 0.6570000       2.019000      0.8592000     -0.6330000       1.082000
  1 1 1     -19    9   18 o    2.128000      0.6071000       1.713000 0.7470000       2.542000      0.9571000     -0.8294000       1.214000
  1 1 1     -19    9   19 o    6.887000      0.3807000       6.858000 0.4814000       6.916000      0.5900000     -0.5780000E-01  0.7615000
  1 1 1     -19    9   20 o    2.150000      0.6248000       1.666000 0.7636000       2.635000      0.9890000     -0.9690000       1.250000
  1 1 1     -19    9   21 o    5.892000      0.4248000       5.869000 0.5455000       5.914000      0.6513000     -0.4406000E-01  0.8495000
  1 1 1     -19    9   22 o    5.335000      0.4727000       5.919000 0.5398000       4.751000      0.7761000       1.168000      0.9454000
  1 1 1     -19    9   23 o    3.707000      0.5653000       4.960000 0.5998000       2.455000      0.9583000       2.505000       1.131000
  1 1 1     -19    9   24 o    2.096000      0.6137000       1.919000 0.8317000       2.272000      0.9028000     -0.3532000       1.227000
  1 1 1     -19    9   25 o    2.581000      0.6466000       2.875000 0.9182000       2.288000      0.9105000      0.5869000       1.293000
  1 1 1     -19    9   26 o    2.588000      0.5697000       3.435000 0.8234000       1.740000      0.7874000       1.695000       1.139000
  1 1 1     -19   10    1 o    5.588000      0.3055000       5.352000 0.4411000       5.824000      0.4229000     -0.4719000      0.6110000
  1 1 1     -19   10    2 o    3.461000      0.4674000       3.626000 0.5951000       3.296000      0.7208000      0.3296000      0.9347000
  1 1 1     -19   10    3 o    5.318000      0.4682000       5.318000 0.4682000                  ?              ?              ?              ?
  1 1 1     -19   10    4 o    14.66000      0.2728000       14.96000 0.3949000       14.36000      0.3764000      0.5974000      0.5455000
  1 1 1     -19   10    5 o    14.56000      0.3818000                  ?       ?   14.56000      0.3818000                  ?              ?
  1 1 1     -19   10    6 o    10.29000      0.2625000       10.84000 0.3714000       9.734000      0.3710000       1.110000      0.5249000
  1 1 1     -19   10    7 o    7.546000      0.2946000       7.175000 0.4190000       7.917000      0.4142000     -0.7427000      0.5892000
  1 1 1     -19   10    8 o    1.936000      0.5546000       2.165000 0.8241000       1.708000      0.7423000      0.4574000       1.109000
  1 1 1     -19   10    9 o    10.13000      0.3641000       9.957000 0.4606000       10.30000      0.5640000     -0.3472000      0.7282000
  1 1 1     -19   10   10 o    11.24000      0.3664000       10.87000 0.4702000       11.61000      0.5620000     -0.7386000      0.7328000
  1 1 1     -19   10   11 o    6.901000      0.3343000       6.754000 0.4823000       7.049000      0.4631000     -0.2954000      0.6687000
  1 1 1     -19   10   12 o    2.842000      0.7374000       3.234000 1.204000       2.450000      0.8518000      0.7841000       1.475000
  1 1 1     -19   10   13 o    3.723000      0.6689000       3.866000 0.8636000       3.579000       1.022000      0.2868000       1.338000
  1 1 1     -19   10   14 o    6.390000      0.3717000       7.007000 0.4275000       5.774000      0.6082000       1.234000      0.7434000
  1 1 1     -19   10   15 o    9.544000      0.2919000       9.356000 0.3759000       9.732000      0.4467000     -0.3768000      0.5839000
  1 1 1     -19   10   16 o    8.178000      0.3141000       8.093000 0.3994000       8.264000      0.4848000     -0.1718000      0.6282000
  1 1 1     -19   10   17 o    2.058000      0.6039000       1.891000 0.7922000       2.224000      0.9117000     -0.3334000       1.208000
  1 1 1     -19   10   18 o    3.864000      0.6087000       4.351000 0.6838000       3.377000       1.007000      0.9734000       1.217000
  1 1 1     -19   10   19 o    8.155000      0.3514000       8.650000 0.4227000       7.661000      0.5615000      0.9893000      0.7028000
  1 1 1     -19   10   20 o    6.381000      0.3846000       6.352000 0.4849000       6.409000      0.5971000     -0.5672000E-01  0.7692000
  1 1 1     -19   10   21 o    5.709000      0.4367000       6.382000 0.5040000       5.035000      0.7132000       1.347000      0.8733000
  1 1 1     -19   10   22 o    4.356000      0.5407000       4.396000 0.6618000       4.315000      0.8553000      0.8080000E-01   1.081000
  1 1 1     -19   10   23 o    2.703000      0.6590000       2.749000 0.9034000       2.658000      0.9597000      0.9065000E-01   1.318000
  1 1 1     -19   10   24 o    2.627000      0.6552000       2.264000 0.8743000       2.990000      0.9761000     -0.7264000       1.310000
  1 1 1     -19   10   25 o    3.825000      0.6136000       4.250000 0.7907000       3.401000      0.9385000      0.8493000       1.227000
  1 1 1     -19   11    1 o    6.912000      0.2785000       7.043000 0.3866000       6.782000      0.4009000      0.2606000      0.5570000
  1 1 1     -19   11    2 o    5.788000      0.3274000       6.182000 0.4199000       5.395000      0.5024000      0.7868000      0.6548000
  1 1 1     -19   11    3 o    6.076000      0.4189000       6.076000 0.4189000                  ?              ?              ?              ?
  1 1 1     -19   11    4 o    8.029000      0.2747000       7.934000 0.3854000       8.125000      0.3916000     -0.1913000      0.5495000
  1 1 1     -19   11    5 o    6.929000      0.3085000       6.258000 0.4662000       7.601000      0.4042000      -1.343000      0.6170000
  1 1 1     -19   11    6 o    2.742000      0.5831000       2.731000 0.7937000       2.753000      0.8545000     -0.2154000E-01   1.166000
  1 1 1     -19   11    7 o    5.874000      0.3407000       6.007000 0.4912000       5.741000      0.4722000      0.2664000      0.6813000
  1 1 1     -19   11    8 o    10.57000      0.3631000       10.94000 0.4603000       10.21000      0.5616000      0.7331000      0.7261000
  1 1 1     -19   11    9 o    4.988000      0.4316000       5.054000 0.5922000       4.921000      0.6281000      0.1330000      0.8632000
  1 1 1     -19   11   10 o    2.810000      0.5618000       1.830000 0.7893000       3.790000      0.7996000      -1.960000       1.124000
  1 1 1     -19   11   11 o    4.095000      0.8188000       4.266000 1.297000       3.924000      0.9997000      0.3423000       1.638000
  1 1 1     -19   11   12 o    5.394000      0.4651000       5.333000 0.5220000       5.456000      0.7699000     -0.1236000      0.9301000
  1 1 1     -19   11   13 o    3.166000      0.6334000       3.173000 0.8626000       3.159000      0.9277000      0.1420000E-01   1.267000
  1 1 1     -19   11   14 o    3.290000      0.5559000       2.059000 0.8480000       4.521000      0.7191000      -2.462000       1.112000
  1 1 1     -19   11   15 o    6.817000      0.3480000       6.524000 0.4480000       7.110000      0.5326000     -0.5863000      0.6960000
  1 1 1     -19   11   16 o    3.866000      0.5786000       3.555000 0.7576000       4.177000      0.8748000     -0.6222000       1.157000
  1 1 1     -19   11   17 o    3.004000      0.6396000       3.246000 0.8057000       2.761000      0.9936000      0.4854000       1.279000
  1 1 1     -19   11   18 o    4.501000      0.5142000       4.318000 0.6598000       4.684000      0.7889000     -0.3662000       1.028000
  1 1 1     -19   11   19 o    2.139000      0.5836000       2.514000 0.8394000       1.764000      0.8111000      0.7501000       1.167000
  1 1 1     -19   11   20 o    6.040000      0.4283000       6.392000 0.5066000       5.688000      0.6908000      0.7038000      0.8567000
  1 1 1     -19   11   21 o    4.827000      0.5158000       4.949000 0.6398000       4.705000      0.8093000      0.2441000       1.032000
  1 1 1     -19   11   22 o    4.182000      0.5679000       4.608000 0.6623000       3.757000      0.9228000      0.8508000       1.136000
  1 1 1     -19   11   23 o    1.981000      0.5972000       1.581000 0.7370000       2.380000      0.9398000     -0.7993000       1.194000
  1 1 1     -19   11   24 o    2.528000      0.6390000       2.299000 0.8734000       2.756000      0.9331000     -0.4569000       1.278000
  1 1 1     -19   12    1 o    4.445000      0.3781000       4.630000 0.4824000       4.259000      0.5824000      0.3714000      0.7563000
  1 1 1     -19   12    2 o    7.865000      0.2683000       7.549000 0.3797000       8.182000      0.3792000     -0.6323000      0.5366000
  1 1 1     -19   12    3 o    4.407000      0.4339000       4.743000 0.5514000       4.071000      0.6701000      0.6718000      0.8678000
  1 1 1     -19   12    4 o    4.021000      0.4566000       4.167000 0.6244000       3.874000      0.6663000      0.2931000      0.9132000
  1 1 1     -19   12    5 o    13.80000      0.2741000       13.82000 0.3955000       13.77000      0.3797000      0.4792000E-01  0.5483000
  1 1 1     -19   12    6 o    7.908000      0.3683000       7.448000 0.4764000       8.367000      0.5617000     -0.9194000      0.7365000
  1 1 1     -19   12    7 o    9.680000      0.2964000       9.913000 0.4504000       9.447000      0.3855000      0.4662000      0.5928000
  1 1 1     -19   12    8 o    7.523000      0.3124000       7.723000 0.4320000       7.322000      0.4513000      0.4009000      0.6248000
  1 1 1     -19   12    9 o    2.886000      0.7583000       4.028000 1.324000       1.745000      0.7402000       2.283000       1.517000
  1 1 1     -19   12   10 o    6.933000      0.5693000       7.472000 0.9136000       6.393000      0.6793000       1.079000       1.139000
  1 1 1     -19   12   11 o    3.099000      0.5360000       4.376000 0.7060000       1.822000      0.8067000       2.554000       1.072000
  1 1 1     -19   12   12 o    2.457000      0.6449000       2.483000 0.9003000       2.431000      0.9237000      0.5126000E-01   1.290000
  1 1 1     -19   12   13 o    2.808000      0.6657000       2.795000 0.9299000       2.822000      0.9530000     -0.2661000E-01   1.331000
  1 1 1     -19   12   14 o    4.413000      0.5461000       3.615000 0.8715000       5.211000      0.6583000      -1.596000       1.092000
  1 1 1     -19   12   15 o    2.604000      0.6516000       3.152000 0.9472000       2.056000      0.8950000       1.096000       1.303000
  1 1 1     -19   12   16 o    3.676000      0.6206000       3.307000 0.9173000       4.045000      0.8360000     -0.7373000       1.241000
  1 1 1     -19   12   17 o    5.527000      0.4369000       5.950000 0.4980000       5.104000      0.7180000      0.8457000      0.8738000
  1 1 1     -19   12   18 o    3.248000      0.6298000       2.646000 0.8649000       3.849000      0.9157000      -1.203000       1.260000
  1 1 1     -19   12   19 o    8.638000      0.3330000       8.918000 0.4069000       8.357000      0.5273000      0.5604000      0.6661000
  1 1 1     -19   12   20 o    3.426000      0.6387000       3.440000 0.8379000       3.411000      0.9642000      0.2932000E-01   1.277000
  1 1 1     -19   12   21 o    2.926000      0.6272000       2.304000 0.8727000       3.548000      0.9009000      -1.244000       1.254000
  1 1 1     -19   12   22 o    1.634000      0.5333000       1.356000 0.6590000       1.913000      0.8388000     -0.5569000       1.067000
  1 1 1     -19   12   23 f    3.194000      0.6079000       2.232000 0.8913000       4.157000      0.8269000      -1.925000       1.216000
  1 1 1     -19   13    1 o    3.641000      0.4523000       3.512000 0.6556000       3.770000      0.6235000     -0.2576000      0.9047000
  1 1 1     -19   13    2 o    8.164000      0.2691000       8.306000 0.3702000       8.023000      0.3906000      0.2833000      0.5382000
  1 1 1     -19   13    3 o    4.935000      0.3924000       5.449000 0.4852000       4.421000      0.6168000       1.028000      0.7848000
  1 1 1     -19   13    4 o    2.379000      0.6317000       2.356000 0.8150000       2.402000      0.9655000     -0.4581000E-01   1.263000
  1 1 1     -19   13    5 o    4.780000      0.5188000       4.493000 0.6388000       5.068000      0.8177000     -0.5754000       1.038000
  1 1 1     -19   13    6 o    3.920000      0.4896000       3.972000 0.6807000       3.868000      0.7038000      0.1036000      0.9791000
  1 1 1     -19   13    7 o    2.529000      0.6010000       2.845000 0.8410000       2.213000      0.8588000      0.6323000       1.202000
  1 1 1     -19   13    8 o    2.503000      0.7459000       2.538000 1.132000       2.469000      0.9722000      0.6867000E-01   1.492000
  1 1 1     -19   13    9 o    5.146000      0.4308000       5.124000 0.6052000       5.167000      0.6131000     -0.4383000E-01  0.8615000
  1 1 1     -19   13   10 o    4.055000      0.5463000       4.740000 0.6348000       3.370000      0.8894000       1.370000       1.093000
  1 1 1     -19   13   11 o    3.684000      0.5761000       3.479000 0.8277000       3.889000      0.8016000     -0.4102000       1.152000
  1 1 1     -19   13   12 o    4.014000      0.5594000       3.741000 0.8302000       4.287000      0.7499000     -0.5456000       1.119000
  1 1 1     -19   13   13 o    2.551000      0.6396000       3.032000 0.9305000       2.071000      0.8780000      0.9609000       1.279000
  1 1 1     -19   13   14 o    3.270000      0.6446000       3.782000 0.8758000       2.757000      0.9461000       1.025000       1.289000
  1 1 1     -19   13   15 o    3.316000      0.6573000       3.131000 0.9565000       3.500000      0.9018000     -0.3686000       1.315000
  1 1 1     -19   13   16 o    3.637000      0.6507000       3.731000 0.8804000       3.543000      0.9586000      0.1883000       1.301000
  1 1 1     -19   13   17 o    7.108000      0.3743000       7.325000 0.4963000       6.890000      0.5603000      0.4354000      0.7486000
  1 1 1     -19   13   18 o    2.733000      0.6571000       2.609000 0.9045000       2.858000      0.9533000     -0.2495000       1.314000
  1 1 1     -19   13   19 o    2.906000      0.6277000       2.189000 0.8367000       3.622000      0.9361000      -1.433000       1.255000
  1 1 1     -19   13   20 o    2.357000      0.6489000       2.242000 0.8865000       2.472000      0.9479000     -0.2294000       1.298000
  1 1 1     -19   13   21 o    2.470000      0.6585000       2.436000 0.8909000       2.503000      0.9699000     -0.6640000E-01   1.317000
  1 1 1     -19   13   22 o    2.104000      0.6189000       1.787000 0.7908000       2.421000      0.9522000     -0.6342000       1.238000
  1 1 1     -19   14    1 o    1.833000      0.5294000       2.108000 0.7885000       1.557000      0.7067000      0.5508000       1.059000
  1 1 1     -19   14    2 o    5.219000      0.4487000       4.868000 0.6126000       5.570000      0.6559000     -0.7027000      0.8974000
  1 1 1     -19   14    3 o    2.239000      0.6287000       1.987000 0.8092000       2.490000      0.9626000     -0.5033000       1.257000
  1 1 1     -19   14    4 o    2.229000      0.8169000       2.229000 0.8169000                  ?              ?              ?              ?
  1 1 1     -19   14    5 o    3.106000      0.5987000       3.324000 0.8154000       2.889000      0.8767000      0.4345000       1.197000
  1 1 1     -19   14    6 o    5.144000      0.7852000                  ?       ?   5.144000      0.7852000                  ?              ?
  1 1 1     -19   14    7 o    8.487000      0.3537000       7.813000 0.4358000       9.161000      0.5571000      -1.348000      0.7073000
  1 1 1     -19   14    8 o    11.13000      0.2806000       11.07000 0.3935000       11.19000      0.4002000     -0.1201000      0.5613000
  1 1 1     -19   14    9 o    11.47000      0.2875000       11.15000 0.4186000       11.79000      0.3942000     -0.6386000      0.5749000
  1 1 1     -19   14   10 o    1.910000      0.5699000       1.555000 0.7196000       2.265000      0.8840000     -0.7106000       1.140000
  1 1 1     -19   14   11 o    2.995000      0.6107000       2.409000 0.8742000       3.581000      0.8529000      -1.172000       1.221000
  1 1 1     -19   14   12 o    5.758000      0.3968000       5.566000 0.5649000       5.950000      0.5575000     -0.3841000      0.7937000
  1 1 1     -19   14   13 o    2.974000      0.6585000       3.258000 0.9082000       2.690000      0.9539000      0.5682000       1.317000
  1 1 1     -19   14   14 o    2.882000      0.5811000       3.998000 0.8305000       1.765000      0.8130000       2.233000       1.162000
  1 1 1     -19   14   15 o    3.929000      0.6000000       4.613000 0.7605000       3.245000      0.9283000       1.368000       1.200000
  1 1 1     -19   14   16 o    1.625000      0.5341000       1.810000 0.8084000       1.440000      0.6984000      0.3704000       1.068000
  1 1 1     -19   14   17 o    3.156000      0.5958000       4.127000 0.7505000       2.186000      0.9254000       1.941000       1.192000
  1 1 1     -19   14   18 o    3.979000      0.6034000       3.806000 0.8140000       4.152000      0.8908000     -0.3460000       1.207000
  1 1 1     -19   14   19 f    2.148000      0.6220000       1.944000 0.8329000       2.351000      0.9241000     -0.4077000       1.244000
  1 1 1     -19   14   20 o    1.729000      0.5603000       1.882000 0.8315000       1.575000      0.7511000      0.3070000       1.121000
  1 1 1     -19   14   21 o    2.750000      0.6750000       2.716000 1.000000       2.784000      0.9067000     -0.6794000E-01   1.350000
  1 1 1     -19   15    1 o    3.780000      0.6082000       3.473000 0.8405000       4.087000      0.8794000     -0.6137000       1.216000
  1 1 1     -19   15    2 o    3.260000      0.5640000       3.168000 0.8184000       3.352000      0.7763000     -0.1835000       1.128000
  1 1 1     -19   15    3 o    3.308000      0.5961000       3.254000 0.8331000       3.362000      0.8528000     -0.1083000       1.192000
  1 1 1     -19   15    4 o    4.906000       1.211000       4.906000 1.211000                  ?              ?              ?              ?
  1 1 1     -19   15    5 o    3.586000      0.6356000       2.637000 0.8362000       4.534000      0.9575000      -1.897000       1.271000
  1 1 1     -19   15    6 o    4.769000      0.4547000       4.722000 0.6293000       4.816000      0.6566000     -0.9445000E-01  0.9094000
  1 1 1     -19   15    7 o    8.228000      0.3096000       8.485000 0.4339000       7.972000      0.4417000      0.5129000      0.6191000
  1 1 1     -19   15    8 o    8.768000      0.3110000       8.776000 0.4447000       8.760000      0.4348000      0.1590000E-01  0.6219000
  1 1 1     -19   15    9 o    5.312000      0.4330000       5.687000 0.5924000       4.938000      0.6317000      0.7491000      0.8660000
  1 1 1     -19   15   10 o    6.754000      0.3535000       7.044000 0.4814000       6.464000      0.5178000      0.5803000      0.7070000
  1 1 1     -19   15   11 o    2.819000      0.6392000       2.469000 0.8804000       3.168000      0.9268000     -0.6991000       1.278000
  1 1 1     -19   15   12 o    2.642000      0.6317000       2.598000 0.8718000       2.685000      0.9143000     -0.8658000E-01   1.263000
  1 1 1     -19   15   13 o    2.272000      0.5816000       1.492000 0.7108000       3.052000      0.9208000      -1.561000       1.163000
  1 1 1     -19   15   14 o    5.660000      0.4522000       5.011000 0.6799000       6.308000      0.5965000      -1.297000      0.9045000
  1 1 1     -19   15   15 o    5.578000      0.4463000       5.986000 0.5889000       5.170000      0.6707000      0.8158000      0.8926000
  1 1 1     -19   15   16 f    5.884000      0.4494000       6.474000 0.5637000       5.295000      0.7001000       1.179000      0.8988000
  1 1 1     -19   15   17 o    4.419000      0.5642000       3.901000 0.8496000       4.937000      0.7426000      -1.036000       1.128000
  1 1 1     -19   15   18 o    4.436000      0.5860000       4.782000 0.7162000       4.090000      0.9277000      0.6920000       1.172000
  1 1 1     -19   15   19 o    3.545000      0.6331000       4.185000 0.8299000       2.905000      0.9564000       1.281000       1.266000
  1 1 1     -19   16    1 o    6.401000      0.3055000       5.798000 0.4115000       7.004000      0.4516000      -1.206000      0.6110000
  1 1 1     -19   16    2 o    2.597000      0.7621000       2.899000 1.196000       2.295000      0.9448000      0.6040000       1.524000
  1 1 1     -19   16    3 o    2.922000      0.6887000       2.176000 0.8725000       3.668000       1.066000      -1.492000       1.377000
  1 1 1     -19   16    4 o    1.570000      0.5116000       1.397000 0.6652000       1.744000      0.7776000     -0.3469000       1.023000
  1 1 1     -19   16    5 o    3.572000      0.5805000       2.899000 0.8957000       4.245000      0.7386000      -1.346000       1.161000
  1 1 1     -19   16    6 o    5.737000      0.4103000       6.004000 0.5676000       5.469000      0.5926000      0.5348000      0.8206000
  1 1 1     -19   16    7 o    3.235000      0.6165000       3.147000 0.8987000       3.323000      0.8442000     -0.1758000       1.233000
  1 1 1     -19   16    8 o    4.702000      0.4974000       5.081000 0.6569000       4.323000      0.7471000      0.7582000      0.9948000
  1 1 1     -19   16    9 o    6.695000      0.3732000       7.243000 0.5149000       6.147000      0.5404000       1.096000      0.7464000
  1 1 1     -19   16   10 o    5.729000      0.4309000       5.312000 0.6641000       6.145000      0.5492000     -0.8335000      0.8618000
  1 1 1     -19   16   11 o    2.646000      0.6446000       2.204000 0.8695000       3.088000      0.9518000     -0.8847000       1.289000
  1 1 1     -19   16   12 o    2.518000      0.6498000       2.732000 0.9317000       2.304000      0.9061000      0.4278000       1.300000
  1 1 1     -19   16   13 o    2.195000      0.6241000       2.483000 0.9336000       1.907000      0.8286000      0.5761000       1.248000
  1 1 1     -19   16   14 o    5.444000      0.4828000       5.704000 0.6187000       5.185000      0.7413000      0.5189000      0.9656000
  1 1 1     -19   16   15 o    3.597000      0.6419000       4.204000 0.8196000       2.991000      0.9880000       1.213000       1.284000
  1 1 1     -19   16   16 o    2.696000      0.6793000       2.859000 0.9702000       2.534000      0.9510000      0.3256000       1.359000
  1 1 1     -19   16   17 o    2.757000      0.6781000       2.878000 0.9633000       2.637000      0.9545000      0.2407000       1.356000
  1 1 1     -19   16   18 o    2.409000      0.7169000       1.992000 0.9235000       2.825000       1.097000     -0.8331000       1.434000
  1 1 1     -19   17    1 o    3.534000      0.5635000       4.275000 0.6523000       2.793000      0.9192000       1.481000       1.127000
  1 1 1     -19   17    2 o    2.373000      0.6244000       2.482000 0.8845000       2.264000      0.8814000      0.2188000       1.249000
  1 1 1     -19   17    3 o    2.115000      0.5988000       1.860000 0.7971000       2.369000      0.8937000     -0.5089000       1.198000
  1 1 1     -19   17    4 o    3.257000      0.6198000       3.435000 0.8708000       3.078000      0.8823000      0.3574000       1.240000
  1 1 1     -19   17    5 o    2.213000      0.6200000       2.408000 0.9083000       2.018000      0.8442000      0.3905000       1.240000
  1 1 1     -19   17    6 o    2.964000      0.5646000       4.134000 0.7999000       1.794000      0.7971000       2.340000       1.129000
  1 1 1     -19   17    7 o    2.492000      0.5910000       1.832000 0.7874000       3.152000      0.8814000      -1.320000       1.182000
  1 1 1     -19   17    8 o    4.109000      0.5816000       3.713000 0.8986000       4.505000      0.7387000     -0.7919000       1.163000
  1 1 1     -19   17    9 o    2.475000      0.6423000       2.736000 0.9323000       2.215000      0.8837000      0.5203000       1.285000
  1 1 1     -19   17   10 o    5.347000      0.4377000       5.545000 0.5924000       5.148000      0.6444000      0.3965000      0.8753000
  1 1 1     -19   17   11 o    2.712000      0.6596000       2.206000 0.8975000       3.217000      0.9667000      -1.011000       1.319000
  1 1 1     -19   17   12 o    2.406000      0.6419000       2.890000 0.9649000       1.922000      0.8467000      0.9682000       1.284000
  1 1 1     -19   17   13 o    2.597000      0.6189000       1.773000 0.8044000       3.421000      0.9407000      -1.648000       1.238000
  1 1 1     -19   17   14 o    2.915000      0.6659000       2.300000 0.8997000       3.531000      0.9820000      -1.232000       1.332000
  1 1 1     -19   17   15 o    2.532000      0.6296000       3.109000 0.9287000       1.956000      0.8503000       1.153000       1.259000
  1 1 1     -19   17   16 o    1.995000      0.6439000       2.189000 1.015000       1.800000      0.7930000      0.3892000       1.288000
  1 1 1     -19   18    1 o    2.257000      0.6362000       2.387000 0.9340000       2.126000      0.8642000      0.2618000       1.272000
  1 1 1     -19   18    2 o    2.148000      0.6223000       2.240000 0.8994000       2.056000      0.8603000      0.1844000       1.245000
  1 1 1     -19   18    3 o    3.282000      0.6210000       3.231000 0.8823000       3.333000      0.8742000     -0.1018000       1.242000
  1 1 1     -19   18    4 o    3.270000      0.6371000       3.575000 0.8615000       2.965000      0.9389000      0.6093000       1.274000
  1 1 1     -19   18    5 o    3.417000      0.9193000       3.417000 0.9193000                  ?              ?              ?              ?
  1 1 1     -19   18    6 o    4.136000      0.5628000       4.159000 0.8192000       4.113000      0.7718000      0.4568000E-01   1.126000
  1 1 1     -19   18    7 o    1.515000      0.7276000                  ?       ?   1.515000      0.7276000                  ?              ?
  1 1 1     -19   18    8 o    2.353000      0.6463000       2.441000 0.9260000       2.265000      0.9019000      0.1760000       1.293000
  1 1 1     -19   18    9 o    2.573000      0.6375000       3.180000 0.9492000       1.966000      0.8513000       1.215000       1.275000
  1 1 1     -19   18   10 o    2.767000      0.6602000       2.129000 0.8979000       3.405000      0.9681000      -1.275000       1.320000
  1 1 1     -19   18   11 o    1.942000      0.5969000       1.652000 0.7683000       2.232000      0.9137000     -0.5796000       1.194000
  1 1 1     -19   18   12 o    4.023000      0.5935000       4.197000 0.8059000       3.849000      0.8713000      0.3480000       1.187000
  1 1 1     -19   18   13 o    2.267000      0.5950000       2.986000 0.9271000       1.549000      0.7462000       1.437000       1.190000
  1 1 1     -19   18   14 o    2.170000      0.9696000       2.170000 0.9696000                  ?              ?              ?              ?
  1 1 1     -19   19    1 o    2.405000      0.6633000       2.501000 0.9397000       2.309000      0.9364000      0.1917000       1.327000
  1 1 1     -19   19    2 o    2.573000      0.6665000       2.925000 0.9961000       2.222000      0.8858000      0.7029000       1.333000
  1 1 1     -19   19    3 o    2.148000      0.6348000       2.257000 0.9365000       2.039000      0.8573000      0.2190000       1.270000
  1 1 1     -19   19    4 o    2.414000      0.6578000       2.571000 0.9623000       2.256000      0.8970000      0.3149000       1.316000
  1 1 1     -19   19    5 o    2.473000      0.6345000       2.563000 0.9502000       2.384000      0.8411000      0.1793000       1.269000
  1 1 1     -19   19    6 o    2.612000      0.6695000       2.865000 0.9718000       2.360000      0.9212000      0.5050000       1.339000
  1 1 1     -19   19    7 o    3.577000      0.6403000       2.738000 1.042000       4.416000      0.7441000      -1.678000       1.281000
  1 1 1     -19   19    8 o    3.833000      0.6421000       3.815000 0.9521000       3.851000      0.8617000     -0.3552000E-01   1.284000
  1 1 1     -19   19    9 o    3.267000      0.6902000       3.259000 0.9641000       3.275000      0.9880000     -0.1644000E-01   1.380000
  1 1 1     -19   19   10 o    2.282000      0.6508000       2.176000 0.9015000       2.388000      0.9389000     -0.2117000       1.302000
  1 1 1     -19   19   11 o    4.191000      0.8849000       4.159000 1.255000       4.222000       1.248000     -0.6324000E-01   1.770000
  1 1 1     -19   20    1 o    2.895000      0.6906000       2.752000 0.9858000       3.037000      0.9673000     -0.2850000       1.381000
  1 1 1     -19   20    2 o    2.181000      0.6387000       2.504000 0.9660000       1.857000      0.8360000      0.6470000       1.277000
  1 1 1     -19   20    3 f    3.811000      0.6592000       4.117000 0.9180000       3.505000      0.9464000      0.6127000       1.318000
  1 1 1     -19   20    4 o    3.653000      0.6700000       3.603000 0.9643000       3.704000      0.9303000     -0.1013000       1.340000
  1 1 1     -19   20    5 f    2.414000      0.6691000       2.731000 0.9877000       2.096000      0.9028000      0.6355000       1.338000
  1 1 1     -19   20    6 f    2.321000      0.6636000       2.252000 0.9302000       2.390000      0.9468000     -0.1383000       1.327000
  1 1 1     -19   20    7 o    3.193000       1.227000       3.193000 1.227000                  ?              ?              ?              ?
  1 1 1     -18  -37    1 o    2.463000      0.7059000       2.590000 1.007000       2.335000      0.9900000      0.2546000       1.412000
  1 1 1     -18  -37    2 o    2.693000      0.7507000       2.604000 1.035000       2.783000       1.088000     -0.1792000       1.501000
  1 1 1     -18  -37    3 o    2.256000      0.6673000       2.349000 0.9290000       2.162000      0.9582000      0.1868000       1.335000
  1 1 1     -18  -37    4 o    3.016000      0.8805000       3.746000 1.470000       2.286000      0.9699000       1.459000       1.761000
  1 1 1     -18  -37    5 o    2.639000       1.072000       2.639000 1.072000                  ?              ?              ?              ?
  1 1 1     -18  -36    1 o    2.670000      0.7240000       2.821000 1.025000       2.519000       1.022000      0.3022000       1.448000
  1 1 1     -18  -36    2 o    2.367000      0.6868000       2.672000 1.012000       2.062000      0.9291000      0.6102000       1.374000
  1 1 1     -18  -36    3 o    3.164000      0.7330000       3.382000 0.9967000       2.946000       1.075000      0.4358000       1.466000
  1 1 1     -18  -36    4 o    2.543000      0.6991000       2.117000 0.9126000       2.969000       1.059000     -0.8523000       1.398000
  1 1 1     -18  -36    5 o    3.510000      0.7262000       3.613000 1.008000       3.407000       1.046000      0.2056000       1.452000
  1 1 1     -18  -36    6 o    2.571000      0.6927000       3.263000 1.071000       1.878000      0.8792000       1.385000       1.385000
  1 1 1     -18  -36    7 o    2.245000      0.6525000       2.861000 1.037000       1.628000      0.7930000       1.233000       1.305000
  1 1 1     -18  -36    8 o    4.053000      0.6908000       3.972000 0.9418000       4.134000       1.011000     -0.1620000       1.382000
  1 1 1     -18  -36    9 o    3.127000      0.8127000       2.719000 1.226000       3.535000       1.067000     -0.8163000       1.625000
  1 1 1     -18  -35    1 o    2.571000      0.6734000       3.067000 0.9972000       2.074000      0.9053000      0.9933000       1.347000
  1 1 1     -18  -35    2 o    3.689000      0.6591000       2.906000 0.9910000       4.472000      0.8691000      -1.566000       1.318000
  1 1 1     -18  -35    3 o    3.822000      0.6942000       3.677000 0.9602000       3.966000       1.003000     -0.2893000       1.388000
  1 1 1     -18  -35    4 f    3.113000      0.7287000       3.198000 1.015000       3.028000       1.046000      0.1699000       1.457000
  1 1 1     -18  -35    5 o    3.256000      0.7062000       3.230000 0.9635000       3.282000       1.033000     -0.5249000E-01   1.412000
  1 1 1     -18  -35    6 o    2.343000      0.6862000       2.067000 0.9228000       2.618000       1.016000     -0.5507000       1.372000
  1 1 1     -18  -35    7 o    4.048000      0.6468000       5.196000 0.7665000       2.901000       1.042000       2.295000       1.294000
  1 1 1     -18  -35    8 o    4.867000      0.5889000       5.380000 0.6859000       4.355000      0.9576000       1.025000       1.178000
  1 1 1     -18  -35    9 o    3.043000      0.7315000       3.112000 1.042000       2.974000       1.027000      0.1377000       1.463000
  1 1 1     -18  -35   10 o    2.667000      0.7163000       2.936000 1.020000       2.398000       1.006000      0.5376000       1.433000
  1 1 1     -18  -35   11 o    2.819000      0.7230000       3.179000 1.030000       2.459000       1.015000      0.7198000       1.446000
  1 1 1     -18  -35   12 o    2.081000      0.6632000       2.117000 0.9399000       2.045000      0.9361000      0.7198000E-01   1.326000
  1 1 1     -18  -34    1 o    3.463000      0.6638000       3.751000 0.9238000       3.175000      0.9534000      0.5762000       1.328000
  1 1 1     -18  -34    2 f    6.165000      0.4274000       6.873000 0.5314000       5.456000      0.6695000       1.417000      0.8547000
  1 1 1     -18  -34    3 o    5.485000      0.4681000       5.855000 0.5962000       5.115000      0.7219000      0.7399000      0.9363000
  1 1 1     -18  -34    4 o    3.981000      0.6251000       3.870000 0.8718000       4.092000      0.8962000     -0.2219000       1.250000
  1 1 1     -18  -34    5 o    2.449000      0.6687000       2.140000 0.8928000       2.758000      0.9958000     -0.6184000       1.337000
  1 1 1     -18  -34    6 o    3.386000      0.6725000       3.778000 0.8602000       2.994000       1.034000      0.7838000       1.345000
  1 1 1     -18  -34    7 o    2.235000      0.6626000       2.583000 1.003000       1.887000      0.8665000      0.6955000       1.325000
  1 1 1     -18  -34    8 o    2.659000      0.7096000       2.872000 0.9976000       2.446000       1.009000      0.4257000       1.419000
  1 1 1     -18  -34    9 f    2.283000      0.6641000       1.836000 0.8298000       2.731000       1.037000     -0.8945000       1.328000
  1 1 1     -18  -34   10 o    4.253000      0.6283000       4.992000 0.7435000       3.514000       1.013000       1.478000       1.257000
  1 1 1     -18  -34   11 o    2.456000      0.6917000       2.707000 1.002000       2.206000      0.9534000      0.5010000       1.383000
  1 1 1     -18  -34   12 o    2.712000      0.6761000       2.121000 0.8970000       3.302000       1.012000      -1.180000       1.352000
  1 1 1     -18  -34   13 o    2.327000      0.6944000       2.216000 0.9559000       2.439000       1.007000     -0.2224000       1.389000
  1 1 1     -18  -34   14 o    3.608000      0.6973000       4.216000 0.9116000       3.001000       1.056000       1.215000       1.395000
  1 1 1     -18  -34   15 o    2.968000       1.255000       2.968000 1.255000                  ?              ?              ?              ?
  1 1 1     -18  -33    1 o    4.154000      0.5314000       4.879000 0.6485000       3.429000      0.8420000       1.451000       1.063000
  1 1 1     -18  -33    2 o    7.001000      0.3358000       7.507000 0.4527000       6.496000      0.4962000       1.011000      0.6717000
  1 1 1     -18  -33    3 o    1.666000      0.5355000       1.964000 0.8391000       1.368000      0.6655000      0.5965000       1.071000
  1 1 1     -18  -33    4 o    2.388000      0.6485000       2.459000 0.9261000       2.317000      0.9080000      0.1420000       1.297000
  1 1 1     -18  -33    5 o    1.802000      0.5794000       1.652000 0.7641000       1.952000      0.8713000     -0.3000000       1.159000
  1 1 1     -18  -33    6 o    2.269000      0.6426000       2.020000 0.8630000       2.518000      0.9523000     -0.4974000       1.285000
  1 1 1     -18  -33    7 o    3.831000      0.6179000       4.684000 0.7598000       2.979000      0.9747000       1.704000       1.236000
  1 1 1     -18  -33    8 o    4.055000      0.5735000       4.853000 0.6593000       3.258000      0.9386000       1.594000       1.147000
  1 1 1     -18  -33    9 o    4.361000      0.5900000       4.257000 0.8562000       4.466000      0.8118000     -0.2089000       1.180000
  1 1 1     -18  -33   10 o    2.221000      0.6592000       2.264000 0.9321000       2.177000      0.9323000      0.8738000E-01   1.318000
  1 1 1     -18  -33   11 o    2.449000      0.6801000       2.322000 0.9306000       2.576000      0.9921000     -0.2541000       1.360000
  1 1 1     -18  -33   12 o    2.498000      0.6788000       3.042000 1.033000       1.953000      0.8812000       1.089000       1.358000
  1 1 1     -18  -33   13 o    2.185000      0.6554000       1.870000 0.8486000       2.500000      0.9991000     -0.6294000       1.311000
  1 1 1     -18  -33   14 o    3.416000      0.7486000       3.563000 1.032000       3.268000       1.085000      0.2944000       1.497000
  1 1 1     -18  -33   15 o    2.216000      0.6493000       2.692000 0.9938000       1.741000      0.8358000      0.9515000       1.299000
  1 1 1     -18  -33   16 o    3.332000      0.7384000       4.034000 1.026000       2.630000       1.062000       1.404000       1.477000
  1 1 1     -18  -33   17 o    2.871000       1.242000       2.871000 1.242000                  ?              ?              ?              ?
  1 1 1     -18  -32    1 o    4.677000      0.4247000       4.845000 0.5478000       4.509000      0.6491000      0.3363000      0.8494000
  1 1 1     -18  -32    2 f    5.044000      0.3926000       4.798000 0.5479000       5.290000      0.5623000     -0.4923000      0.7851000
  1 1 1     -18  -32    3 o    1.422000      0.4754000       1.420000 0.6612000       1.424000      0.6834000     -0.4714000E-02  0.9508000
  1 1 1     -18  -32    4 o    3.521000      0.5609000       4.195000 0.6453000       2.847000      0.9176000       1.348000       1.122000
  1 1 1     -18  -32    5 o    4.510000      0.4763000       4.889000 0.5445000       4.131000      0.7816000      0.7576000      0.9525000
  1 1 1     -18  -32    6 o    4.283000      0.4848000       4.262000 0.6391000       4.303000      0.7293000     -0.4159000E-01  0.9697000
  1 1 1     -18  -32    7 o    1.866000      0.5619000       1.422000 0.6814000       2.309000      0.8937000     -0.8862000       1.124000
  1 1 1     -18  -32    8 o    2.481000      0.6321000       2.829000 0.8966000       2.133000      0.8913000      0.6960000       1.264000
  1 1 1     -18  -32    9 o    2.177000      0.6282000       1.848000 0.8175000       2.506000      0.9541000     -0.6581000       1.256000
  1 1 1     -18  -32   10 o    3.715000      0.6208000       4.080000 0.7852000       3.351000      0.9619000      0.7288000       1.242000
  1 1 1     -18  -32   11 o    3.147000      0.7051000       3.048000 0.9848000       3.245000       1.009000     -0.1965000       1.410000
  1 1 1     -18  -32   12 f    2.522000      0.6790000       2.638000 0.9446000       2.406000      0.9757000      0.2324000       1.358000
  1 1 1     -18  -32   13 o    2.272000      0.6384000       1.569000 0.7583000       2.974000       1.027000      -1.405000       1.277000
  1 1 1     -18  -32   14 o    3.424000      0.7247000       3.410000 0.9924000       3.438000       1.056000     -0.2841000E-01   1.449000
  1 1 1     -18  -32   15 o    2.315000      0.6923000       2.142000 0.9346000       2.488000       1.022000     -0.3460000       1.385000
  1 1 1     -18  -32   16 o    1.763000      0.5869000       1.673000 0.7894000       1.853000      0.8687000     -0.1802000       1.174000
  1 1 1     -18  -32   17 o    2.944000      0.7471000       3.259000 1.056000       2.628000       1.057000      0.6313000       1.494000
  1 1 1     -18  -32   18 o    3.207000      0.7219000       2.757000 1.021000       3.657000       1.021000     -0.9006000       1.444000
  1 1 1     -18  -31    1 o    5.504000      0.3779000       6.020000 0.4647000       4.988000      0.5961000       1.032000      0.7558000
  1 1 1     -18  -31    2 o    4.733000      0.4226000       4.639000 0.5782000       4.826000      0.6164000     -0.1876000      0.8452000
  1 1 1     -18  -31    3 o    3.692000      0.5411000       3.379000 0.7882000       4.004000      0.7417000     -0.6250000       1.082000
  1 1 1     -18  -31    4 o    4.119000      0.4697000       4.197000 0.6189000       4.040000      0.7066000      0.1572000      0.9393000
  1 1 1     -18  -31    5 o    7.280000      0.3106000       7.845000 0.4031000       6.715000      0.4725000       1.130000      0.6211000
  1 1 1     -18  -31    6 o    4.078000      0.5080000       3.955000 0.6703000       4.202000      0.7636000     -0.2465000       1.016000
  1 1 1     -18  -31    7 o    2.733000      0.6250000       2.921000 0.8410000       2.546000      0.9247000      0.3751000       1.250000
  1 1 1     -18  -31    8 o    3.757000      0.5588000       4.715000 0.5927000       2.798000      0.9476000       1.917000       1.118000
  1 1 1     -18  -31    9 o    2.876000      0.6169000       3.418000 0.8112000       2.333000      0.9296000       1.085000       1.234000
  1 1 1     -18  -31   10 o    2.102000      0.6159000       2.318000 0.9015000       1.886000      0.8394000      0.4324000       1.232000
  1 1 1     -18  -31   11 o    4.980000      0.5376000       5.695000 0.6310000       4.265000      0.8705000       1.430000       1.075000
  1 1 1     -18  -31   12 o    2.476000      0.6605000       2.136000 0.8660000       2.817000      0.9975000     -0.6809000       1.321000
  1 1 1     -18  -31   13 o    3.850000      0.6587000       4.139000 0.8358000       3.561000       1.018000      0.5780000       1.317000
  1 1 1     -18  -31   14 o    4.219000      0.6260000       4.372000 0.7722000       4.065000      0.9855000      0.3067000       1.252000
  1 1 1     -18  -31   15 o    3.265000      0.7381000       3.468000 1.028000       3.063000       1.060000      0.4050000       1.476000
  1 1 1     -18  -31   16 o    2.413000      0.6551000       1.670000 0.7861000       3.156000       1.048000      -1.487000       1.310000
  1 1 1     -18  -31   17 f    3.010000      0.6652000       3.912000 0.9361000       2.107000      0.9455000       1.805000       1.330000
  1 1 1     -18  -31   18 o    2.612000      0.7165000       2.930000 1.045000       2.294000      0.9807000      0.6365000       1.433000
  1 1 1     -18  -31   19 o    2.872000      0.7091000       2.327000 0.9355000       3.418000       1.066000      -1.091000       1.418000
  1 1 1     -18  -31   20 o    2.677000      0.6778000       3.210000 0.9704000       2.144000      0.9465000       1.065000       1.356000
  1 1 1     -18  -30    1 o    4.188000      0.5167000       4.441000 0.5643000       3.936000      0.8657000      0.5052000       1.033000
  1 1 1     -18  -30    2 o    2.649000      0.5977000       3.123000 0.7393000       2.176000      0.9393000      0.9478000       1.195000
  1 1 1     -18  -30    3 o    2.068000      0.5982000       2.130000 0.7797000       2.005000      0.9075000      0.1248000       1.196000
  1 1 1     -18  -30    4 o    2.676000      0.5738000       3.027000 0.7444000       2.326000      0.8734000      0.7005000       1.148000
  1 1 1     -18  -30    5 o    6.268000      0.3288000       5.747000 0.4682000       6.789000      0.4618000      -1.042000      0.6576000
  1 1 1     -18  -30    6 o    2.936000      0.5605000       3.448000 0.6748000       2.424000      0.8950000       1.025000       1.121000
  1 1 1     -18  -30    7 o    4.943000      0.4149000       4.978000 0.5335000       4.908000      0.6355000      0.7064000E-01  0.8298000
  1 1 1     -18  -30    8 o    2.029000      0.5868000       2.018000 0.7943000       2.040000      0.8641000     -0.2192000E-01   1.174000
  1 1 1     -18  -30    9 o    1.937000      0.5782000       1.580000 0.7319000       2.293000      0.8954000     -0.7128000       1.156000
  1 1 1     -18  -30   10 o    2.609000      0.6527000       2.236000 0.8869000       2.982000      0.9579000     -0.7462000       1.305000
  1 1 1     -18  -30   11 o    1.657000      0.5382000       1.713000 0.7664000       1.601000      0.7558000      0.1129000       1.076000
  1 1 1     -18  -30   12 o    2.215000      0.6304000       2.442000 0.9138000       1.989000      0.8687000      0.4526000       1.261000
  1 1 1     -18  -30   13 o    3.023000      0.6781000       3.454000 0.9160000       2.592000       1.000000      0.8623000       1.356000
  1 1 1     -18  -30   14 o    4.686000      0.5691000       5.281000 0.6260000       4.092000      0.9506000       1.189000       1.138000
  1 1 1     -18  -30   15 o    2.392000      0.6166000       3.188000 0.9632000       1.596000      0.7700000       1.592000       1.233000
  1 1 1     -18  -30   16 o    2.268000      0.6292000       2.727000 0.9376000       1.809000      0.8393000      0.9182000       1.258000
  1 1 1     -18  -30   17 o    2.455000      0.7009000       2.127000 0.9122000       2.782000       1.064000     -0.6559000       1.402000
  1 1 1     -18  -30   18 o    2.266000      0.6815000       2.244000 0.9506000       2.287000      0.9768000     -0.4307000E-01   1.363000
  1 1 1     -18  -30   19 o    2.779000      0.7018000       2.284000 0.9347000       3.274000       1.047000     -0.9901000       1.404000
  1 1 1     -18  -30   20 o    2.311000      0.6639000       1.640000 0.7774000       2.983000       1.076000      -1.343000       1.328000
  1 1 1     -18  -30   21 o    3.657000      0.6771000       2.663000 0.9823000       4.652000      0.9321000      -1.988000       1.354000
  1 1 1     -18  -29    1 o    3.665000      0.4629000       3.528000 0.6394000       3.802000      0.6696000     -0.2746000      0.9259000
  1 1 1     -18  -29    2 o    3.517000      0.4707000       3.726000 0.5973000       3.308000      0.7277000      0.4180000      0.9414000
  1 1 1     -18  -29    3 o    3.252000      0.4859000       2.692000 0.7176000       3.811000      0.6552000      -1.120000      0.9717000
  1 1 1     -18  -29    4 o    3.803000      0.4477000       3.866000 0.5802000       3.740000      0.6820000      0.1263000      0.8954000
  1 1 1     -18  -29    5 o    4.787000      0.5168000       4.586000 0.5679000       4.988000      0.8637000     -0.4026000       1.034000
  1 1 1     -18  -29    6 o    3.067000      0.6703000       3.183000 0.7976000       2.952000       1.077000      0.2313000       1.341000
  1 1 1     -18  -29    7 o    3.826000      0.6542000       2.902000 0.8393000       4.750000       1.004000      -1.848000       1.308000
  1 1 1     -18  -29    8 o    3.836000      0.5331000       3.105000 0.8241000       4.567000      0.6763000      -1.462000       1.066000
  1 1 1     -18  -29    9 o    4.062000      0.5172000       3.743000 0.7575000       4.380000      0.7044000     -0.6375000       1.034000
  1 1 1     -18  -29   10 o    6.577000      0.3605000       6.664000 0.4896000       6.491000      0.5292000      0.1725000      0.7209000
  1 1 1     -18  -29   11 o    2.803000      0.6431000       3.045000 0.8753000       2.561000      0.9425000      0.4839000       1.286000
  1 1 1     -18  -29   12 o    4.041000      0.5442000       3.882000 0.7537000       4.201000      0.7851000     -0.3197000       1.088000
  1 1 1     -18  -29   13 o    2.977000      0.6696000       2.883000 0.9231000       3.071000      0.9703000     -0.1874000       1.339000
  1 1 1     -18  -29   14 o    3.083000      0.6574000       3.129000 0.8720000       3.036000      0.9840000      0.9279000E-01   1.315000
  1 1 1     -18  -29   15 o    2.290000      0.6520000       2.339000 0.9127000       2.242000      0.9314000      0.9755000E-01   1.304000
  1 1 1     -18  -29   16 o    2.484000      0.6425000       2.875000 0.9170000       2.092000      0.9004000      0.7838000       1.285000
  1 1 1     -18  -29   17 o    2.897000      0.7063000       2.760000 0.9677000       3.035000       1.029000     -0.2755000       1.413000
  1 1 1     -18  -29   18 o    2.357000      0.6727000       2.656000 0.9929000       2.059000      0.9078000      0.5974000       1.345000
  1 1 1     -18  -29   19 o    2.082000      0.6306000       1.636000 0.7753000       2.527000      0.9948000     -0.8908000       1.261000
  1 1 1     -18  -29   20 o    2.406000      0.6568000       1.628000 0.7748000       3.183000       1.061000      -1.555000       1.314000
  1 1 1     -18  -29   21 o    2.532000      0.7196000       2.566000 0.9946000       2.497000       1.040000      0.6907000E-01   1.439000
  1 1 1     -18  -29   22 o    2.232000      0.6688000       2.521000 0.9858000       1.944000      0.9042000      0.5768000       1.338000
  1 1 1     -18  -29   23 o    3.177000      0.8912000       3.474000 1.289000       2.881000       1.231000      0.5933000       1.782000
  1 1 1     -18  -28    1 o    6.175000      0.4253000       6.701000 0.7464000       5.650000      0.4080000       1.051000      0.8507000
  1 1 1     -18  -28    2 o    3.650000      0.6704000       2.821000 1.108000       4.480000      0.7545000      -1.659000       1.341000
  1 1 1     -18  -28    3 o    3.340000      0.7658000       3.949000 1.210000       2.732000      0.9388000       1.217000       1.532000
  1 1 1     -18  -28    4 o    3.649000      0.7053000       2.740000 1.151000       4.559000      0.8159000      -1.820000       1.411000
  1 1 1     -18  -28    5 o    4.659000      0.3994000       4.625000 0.5234000       4.693000      0.6035000     -0.6836000E-01  0.7988000
  1 1 1     -18  -28    6 o    1.892000      0.5369000       2.170000 0.7822000       1.613000      0.7356000      0.5564000       1.074000
  1 1 1     -18  -28    7 o    3.933000      0.5939000       4.874000 0.5102000       2.991000       1.073000       1.883000       1.188000
  1 1 1     -18  -28    8 o    4.930000      0.5556000       5.367000 0.5935000       4.492000      0.9394000      0.8751000       1.111000
  1 1 1     -18  -28    9 o    3.337000      0.6974000       2.756000 0.9126000       3.918000       1.055000      -1.163000       1.395000
  1 1 1     -18  -28   10 o    2.383000      0.6974000       1.901000 0.8386000       2.865000       1.115000     -0.9635000       1.395000
  1 1 1     -18  -28   11 o    5.262000      0.4357000       5.363000 0.5674000       5.161000      0.6614000      0.2019000      0.8714000
  1 1 1     -18  -28   12 f    6.521000      0.3822000       6.733000 0.4807000       6.308000      0.5943000      0.4243000      0.7644000
  1 1 1     -18  -28   13 o    2.410000      0.6487000       1.997000 0.8535000       2.824000      0.9772000     -0.8266000       1.297000
  1 1 1     -18  -28   14 o    2.134000      0.6245000       2.199000 0.8642000       2.069000      0.9018000      0.1302000       1.249000
  1 1 1     -18  -28   15 o    2.732000      0.6850000       2.658000 0.9455000       2.806000      0.9914000     -0.1480000       1.370000
  1 1 1     -18  -28   16 o    2.155000      0.6388000       2.065000 0.8447000       2.245000      0.9585000     -0.1809000       1.278000
  1 1 1     -18  -28   17 o    7.224000      0.4015000       6.949000 0.5359000       7.498000      0.5979000     -0.5481000      0.8029000
  1 1 1     -18  -28   18 o    3.458000      0.6797000       3.827000 0.8781000       3.089000       1.038000      0.7382000       1.359000
  1 1 1     -18  -28   19 o    2.784000      0.6930000       2.680000 0.9389000       2.888000       1.020000     -0.2081000       1.386000
  1 1 1     -18  -28   20 o    2.520000      0.6973000       2.360000 0.9534000       2.680000       1.018000     -0.3202000       1.395000
  1 1 1     -18  -28   21 o    2.532000      0.7054000       2.504000 0.9743000       2.560000       1.020000     -0.5606000E-01   1.411000
  1 1 1     -18  -28   22 o    2.640000      0.7086000       2.322000 0.9570000       2.957000       1.045000     -0.6355000       1.417000
  1 1 1     -18  -28   23 o    3.015000      0.7150000       3.339000 1.005000       2.691000       1.018000      0.6479000       1.430000
  1 1 1     -18  -28   24 o    2.052000      0.6390000       2.421000 0.9912000       1.683000      0.8066000      0.7383000       1.278000
  1 1 1     -18  -27    1 o    6.272000      0.2780000       6.508000 0.3530000       6.035000      0.4296000      0.4732000      0.5561000
  1 1 1     -18  -27    2 o    2.216000      0.5333000       1.783000 0.7169000       2.650000      0.7898000     -0.8663000       1.067000
  1 1 1     -18  -27    3 o    3.730000      0.4513000       3.875000 0.5962000       3.586000      0.6777000      0.2899000      0.9026000
  1 1 1     -18  -27    4 o    2.392000      0.4844000       3.310000 0.6803000       1.475000      0.6896000       1.835000      0.9687000
  1 1 1     -18  -27    5 o    2.715000      0.7061000       2.413000 1.040000       3.016000      0.9549000     -0.6033000       1.412000
  1 1 1     -18  -27    6 o    3.719000      0.7263000       3.784000 1.150000       3.654000      0.8880000      0.1295000       1.453000
  1 1 1     -18  -27    7 f    5.175000      0.7014000       5.195000 1.194000       5.155000      0.7355000      0.3966000E-01   1.403000
  1 1 1     -18  -27    8 o    3.714000      0.5218000       4.100000 0.6231000       3.327000      0.8371000      0.7727000       1.044000
  1 1 1     -18  -27    9 o    3.098000      0.6045000       2.932000 0.8006000       3.265000      0.9059000     -0.3338000       1.209000
  1 1 1     -18  -27   10 o    3.307000      0.5958000       2.869000 0.8326000       3.745000      0.8524000     -0.8762000       1.192000
  1 1 1     -18  -27   11 o    4.338000      0.6714000       4.472000 0.7670000       4.204000       1.102000      0.2683000       1.343000
  1 1 1     -18  -27   12 o    3.611000      0.7266000       4.100000 0.8289000       3.121000       1.194000      0.9787000       1.453000
  1 1 1     -18  -27   13 o    6.575000      0.3661000       6.686000 0.4670000       6.464000      0.5640000      0.2215000      0.7322000
  1 1 1     -18  -27   14 o    5.945000      0.4088000       5.799000 0.5491000       6.092000      0.6056000     -0.2934000      0.8175000
  1 1 1     -18  -27   15 o    3.704000      0.5930000       4.269000 0.6984000       3.140000      0.9585000       1.129000       1.186000
  1 1 1     -18  -27   16 o    2.477000      0.6196000       3.020000 0.8846000       1.935000      0.8680000       1.085000       1.239000
  1 1 1     -18  -27   17 o    5.969000      0.4257000       6.303000 0.5389000       5.635000      0.6592000      0.6678000      0.8515000
  1 1 1     -18  -27   18 o    2.192000      0.6503000       2.041000 0.8561000       2.344000      0.9790000     -0.3030000       1.301000
  1 1 1     -18  -27   19 o    4.705000      0.5975000       5.076000 0.6985000       4.333000      0.9696000      0.7436000       1.195000
  1 1 1     -18  -27   20 o    4.264000      0.6456000       4.374000 0.8821000       4.154000      0.9430000      0.2206000       1.291000
  1 1 1     -18  -27   21 o    2.621000      0.6733000       3.200000 0.9829000       2.041000      0.9206000       1.159000       1.347000
  1 1 1     -18  -27   22 o    2.144000      0.6497000       2.345000 0.9467000       1.943000      0.8900000      0.4023000       1.299000
  1 1 1     -18  -27   23 o    2.868000       1.007000       2.868000 1.007000                  ?              ?              ?              ?
  1 1 1     -18  -27   24 o    2.765000      0.6920000       3.147000 0.9935000       2.382000      0.9636000      0.7653000       1.384000
  1 1 1     -18  -27   25 o    2.389000      0.6738000       2.212000 0.8901000       2.567000       1.012000     -0.3549000       1.348000
  1 1 1     -18  -26    1 f    1.427000      0.4577000       1.186000 0.5635000       1.667000      0.7213000     -0.4811000      0.9154000
  1 1 1     -18  -26    2 o    3.484000      0.4747000       3.507000 0.6533000       3.460000      0.6888000      0.4669000E-01  0.9493000
  1 1 1     -18  -26    3 o    4.492000      0.3723000       4.908000 0.4743000       4.076000      0.5739000      0.8313000      0.7445000
  1 1 1     -18  -26    4 o    2.122000      0.5255000       2.531000 0.7473000       1.713000      0.7389000      0.8178000       1.051000
  1 1 1     -18  -26    5 o    3.767000      0.4854000       4.272000 0.5551000       3.262000      0.7963000       1.011000      0.9707000
  1 1 1     -18  -26    6 o    11.46000      0.2595000       12.12000 0.3628000       10.81000      0.3713000       1.308000      0.5191000
  1 1 1     -18  -26    7 o    7.330000      0.2951000       7.534000 0.4022000       7.126000      0.4318000      0.4087000      0.5901000
  1 1 1     -18  -26    8 o    4.343000      0.6937000       3.969000 1.135000       4.717000      0.7978000     -0.7489000       1.387000
  1 1 1     -18  -26    9 o    9.613000      0.4352000       9.856000 0.6887000       9.369000      0.5322000      0.4863000      0.8704000
  1 1 1     -18  -26   10 o    7.178000      0.3648000       6.978000 0.4322000       7.379000      0.5879000     -0.4005000      0.7297000
  1 1 1     -18  -26   11 o    3.490000      0.5730000       3.762000 0.7141000       3.217000      0.8963000      0.5451000       1.146000
  1 1 1     -18  -26   12 o    3.127000      0.5743000       2.084000 0.8264000       4.170000      0.7977000      -2.085000       1.149000
  1 1 1     -18  -26   13 f    3.165000      0.7665000       2.970000 0.9429000       3.360000       1.209000     -0.3904000       1.533000
  1 1 1     -18  -26   14 o    2.997000      0.6798000       1.716000 0.7810000       4.278000       1.113000      -2.562000       1.360000
  1 1 1     -18  -26   15 o    2.996000      0.6090000       3.926000 0.8115000       2.066000      0.9084000       1.860000       1.218000
  1 1 1     -18  -26   16 o    3.262000      0.6459000       3.227000 0.8618000       3.296000      0.9622000     -0.6809000E-01   1.292000
  1 1 1     -18  -26   17 o    4.918000      0.5420000       5.186000 0.6618000       4.649000      0.8584000      0.5365000       1.084000
  1 1 1     -18  -26   18 o    2.346000      0.6755000       1.954000 0.8596000       2.738000       1.042000     -0.7843000       1.351000
  1 1 1     -18  -26   19 o    3.523000      0.6752000       4.025000 0.8649000       3.020000       1.037000       1.004000       1.350000
  1 1 1     -18  -26   20 o    3.259000      0.6884000       2.568000 0.9593000       3.950000      0.9877000      -1.382000       1.377000
  1 1 1     -18  -26   21 o    4.906000      0.6157000       5.034000 0.7915000       4.778000      0.9433000      0.2565000       1.231000
  1 1 1     -18  -26   22 o    2.256000      0.6515000       2.745000 0.9915000       1.767000      0.8453000      0.9780000       1.303000
  1 1 1     -18  -26   23 o    3.709000      0.9345000       3.709000 0.9345000                  ?              ?              ?              ?
  1 1 1     -18  -26   24 o    2.653000      0.7129000       2.894000 1.010000       2.411000       1.006000      0.4837000       1.426000
  1 1 1     -18  -26   25 o    4.450000      0.9755000                  ?       ?   4.450000      0.9755000                  ?              ?
  1 1 1     -18  -26   26 o    3.484000      0.8171000       3.319000 1.237000       3.649000       1.068000     -0.3300000       1.634000
  1 1 1     -18  -25    1 o    1.823000      0.5058000       1.411000 0.6369000       2.235000      0.7858000     -0.8239000       1.012000
  1 1 1     -18  -25    2 o    1.235000      0.4150000       1.179000 0.5655000       1.291000      0.6075000     -0.1119000      0.8300000
  1 1 1     -18  -25    3 o    1.949000      0.5266000       1.653000 0.6786000       2.246000      0.8053000     -0.5925000       1.053000
  1 1 1     -18  -25    4 o    4.095000      0.4320000       4.362000 0.5230000       3.828000      0.6877000      0.5342000      0.8640000
  1 1 1     -18  -25    5 f    2.269000      0.5338000       1.790000 0.7214000       2.748000      0.7871000     -0.9582000       1.068000
  1 1 1     -18  -25    6 o    11.00000      0.2541000       10.93000 0.3571000       11.07000      0.3616000     -0.1470000      0.5082000
  1 1 1     -18  -25    7 f    9.243000      0.2629000       9.267000 0.3536000       9.219000      0.3892000      0.4884000E-01  0.5258000
  1 1 1     -18  -25    8 o    10.67000      0.2619000       10.85000 0.3643000       10.49000      0.3765000      0.3669000      0.5239000
  1 1 1     -18  -25    9 o    6.610000      0.3077000       6.374000 0.4272000       6.846000      0.4429000     -0.4728000      0.6154000
  1 1 1     -18  -25   10 o    6.303000      0.4606000       6.603000 0.8049000       6.004000      0.4481000      0.5995000      0.9212000
  1 1 1     -18  -25   11 o    4.316000      0.7755000       4.638000 1.171000       3.994000       1.017000      0.6436000       1.551000
  1 1 1     -18  -25   12 o    5.222000      0.6920000       5.091000 1.103000       5.353000      0.8353000     -0.2616000       1.384000
  1 1 1     -18  -25   13 o    4.709000      0.4738000       4.979000 0.5660000       4.438000      0.7601000      0.5410000      0.9476000
  1 1 1     -18  -25   14 o    9.639000      0.3079000       9.851000 0.4124000       9.427000      0.4574000      0.4239000      0.6158000
  1 1 1     -18  -25   15 o    6.312000      0.5327000       6.605000 0.5705000       6.020000      0.8997000      0.5850000       1.065000
  1 1 1     -18  -25   16 o    5.319000      0.7088000       6.587000 0.6204000       4.051000       1.275000       2.536000       1.418000
  1 1 1     -18  -25   17 o    2.662000      0.6716000       2.765000 0.9198000       2.559000      0.9788000      0.2062000       1.343000
  1 1 1     -18  -25   18 o    4.467000      0.5617000       3.839000 0.8291000       5.095000      0.7580000      -1.257000       1.123000
  1 1 1     -18  -25   19 o    1.761000      0.5797000       1.763000 0.8091000       1.759000      0.8303000      0.4295000E-02   1.159000
  1 1 1     -18  -25   20 o    3.442000      0.6505000       4.436000 0.8234000       2.448000       1.007000       1.988000       1.301000
  1 1 1     -18  -25   21 o    3.410000      0.7138000       3.359000 0.9855000       3.462000       1.033000     -0.1028000       1.428000
  1 1 1     -18  -25   22 o    3.697000      0.7062000       3.287000 0.9758000       4.107000       1.021000     -0.8202000       1.412000
  1 1 1     -18  -25   23 o    3.260000      0.6659000       3.980000 0.8651000       2.540000       1.013000       1.440000       1.332000
  1 1 1     -18  -25   24 o    2.618000      0.7182000       2.360000 0.9652000       2.877000       1.064000     -0.5172000       1.436000
  1 1 1     -18  -25   25 f    2.063000      0.6371000       1.885000 0.8360000       2.241000      0.9617000     -0.3568000       1.274000
  1 1 1     -18  -25   26 o    2.796000      0.6561000       1.904000 0.8712000       3.687000      0.9813000      -1.783000       1.312000
  1 1 1     -18  -25   27 o    2.703000       1.130000       2.703000 1.130000                  ?              ?              ?              ?
  1 1 1     -18  -24    1 o    5.326000      0.2978000       4.618000 0.4388000       6.034000      0.4029000      -1.417000      0.5957000
  1 1 1     -18  -24    2 o    6.006000      0.2854000       6.256000 0.3692000       5.756000      0.4352000      0.4998000      0.5707000
  1 1 1     -18  -24    3 o    5.371000      0.3162000       5.507000 0.4311000       5.236000      0.4626000      0.2702000      0.6323000
  1 1 1     -18  -24    4 o    2.918000      0.5257000       2.638000 0.7064000       3.198000      0.7787000     -0.5600000       1.051000
  1 1 1     -18  -24    5 o    3.859000      0.4498000       4.091000 0.5373000       3.626000      0.7215000      0.4643000      0.8996000
  1 1 1     -18  -24    6 o    9.242000      0.2504000       9.257000 0.3506000       9.227000      0.3577000      0.2947000E-01  0.5009000
  1 1 1     -18  -24    7 o    4.952000      0.3765000       4.891000 0.5210000       5.012000      0.5436000     -0.1214000      0.7530000
  1 1 1     -18  -24    8 o    6.172000      0.3239000       5.956000 0.4571000       6.388000      0.4591000     -0.4327000      0.6478000
  1 1 1     -18  -24    9 o    2.905000      0.5713000       2.511000 0.8232000       3.300000      0.7924000     -0.7889000       1.143000
  1 1 1     -18  -24   10 o    9.747000      0.2702000       9.703000 0.3672000       9.792000      0.3965000     -0.8912000E-01  0.5404000
  1 1 1     -18  -24   11 o    11.30000      0.2735000       11.68000 0.3731000       10.93000      0.4001000      0.7552000      0.5470000
  1 1 1     -18  -24   12 o    14.49000      0.4237000       13.69000 0.6325000       15.29000      0.5640000      -1.604000      0.8474000
  1 1 1     -18  -24   13 o    3.132000      0.7737000       2.712000 1.134000       3.551000       1.053000     -0.8391000       1.547000
  1 1 1     -18  -24   14 o    4.605000      0.5633000       3.982000 0.6907000       5.227000      0.8901000      -1.245000       1.127000
  1 1 1     -18  -24   15 o    4.317000      0.5762000       3.817000 0.8463000       4.817000      0.7822000     -0.9994000       1.152000
  1 1 1     -18  -24   16 o    3.182000      0.6606000       2.987000 0.8864000       3.378000      0.9798000     -0.3912000       1.321000
  1 1 1     -18  -24   17 o    6.088000      0.5892000       5.907000 0.6639000       6.269000      0.9736000     -0.3620000       1.178000
  1 1 1     -18  -24   18 o    4.252000      0.7934000       3.670000 1.012000       4.833000       1.222000      -1.163000       1.587000
  1 1 1     -18  -24   19 o    3.040000      0.6766000       3.309000 0.9083000       2.771000       1.003000      0.5385000       1.353000
  1 1 1     -18  -24   20 o    2.510000      0.6491000       3.081000 0.9455000       1.938000      0.8896000       1.143000       1.298000
  1 1 1     -18  -24   21 o    2.578000      0.6882000       2.893000 0.9958000       2.264000      0.9502000      0.6289000       1.376000
  1 1 1     -18  -24   22 o    3.327000      0.7120000       3.522000 0.9492000       3.132000       1.061000      0.3903000       1.424000
  1 1 1     -18  -24   23 o    2.904000      0.7291000       3.136000 0.9952000       2.672000       1.066000      0.4647000       1.458000
  1 1 1     -18  -24   24 o    3.184000      0.7173000       3.774000 0.9861000       2.594000       1.042000       1.180000       1.435000
  1 1 1     -18  -24   25 o    2.785000      0.7315000       2.707000 1.003000       2.863000       1.065000     -0.1558000       1.463000
  1 1 1     -18  -24   26 o    2.045000      0.6347000       1.825000 0.8413000       2.265000      0.9507000     -0.4405000       1.269000
  1 1 1     -18  -24   27 o    3.212000      0.6648000       2.584000 0.9631000       3.841000      0.9166000      -1.257000       1.330000
  1 1 1     -18  -23    1 o    3.574000      0.4448000       3.754000 0.5165000       3.393000      0.7243000      0.3609000      0.8896000
  1 1 1     -18  -23    2 o    9.337000      0.2378000       9.418000 0.3260000       9.255000      0.3464000      0.1635000      0.4757000
  1 1 1     -18  -23    3 o    5.001000      0.3576000       5.816000 0.4128000       4.186000      0.5841000       1.629000      0.7153000
  1 1 1     -18  -23    4 o    4.122000      0.3983000       3.670000 0.5854000       4.574000      0.5403000     -0.9040000      0.7966000
  1 1 1     -18  -23    5 o    2.659000      0.5432000       2.508000 0.7266000       2.809000      0.8077000     -0.3013000       1.086000
  1 1 1     -18  -23    6 o    2.957000      0.5465000       3.388000 0.6792000       2.526000      0.8563000      0.8619000       1.093000
  1 1 1     -18  -23    7 o    4.683000      0.4014000       4.695000 0.5168000       4.670000      0.6145000      0.2505000E-01  0.8029000
  1 1 1     -18  -23    8 o    9.115000      0.2629000       8.879000 0.3572000       9.352000      0.3857000     -0.4728000      0.5257000
  1 1 1     -18  -23    9 o    2.325000      0.5741000       2.420000 0.7853000       2.230000      0.8377000      0.1901000       1.148000
  1 1 1     -18  -23   10 o    6.089000      0.3479000       5.812000 0.4884000       6.365000      0.4955000     -0.5530000      0.6958000
  1 1 1     -18  -23   11 o    4.430000      0.4997000       5.443000 0.4976000       3.416000      0.8668000       2.028000      0.9995000
  1 1 1     -18  -23   12 o    10.45000      0.2788000       10.90000 0.3871000       10.00000      0.4012000      0.8998000      0.5575000
  1 1 1     -18  -23   13 o    10.75000      0.2911000       10.63000 0.4101000       10.88000      0.4132000     -0.2438000      0.5822000
  1 1 1     -18  -23   14 f    7.098000      0.5299000       6.775000 0.8417000       7.420000      0.6438000     -0.6448000       1.060000
  1 1 1     -18  -23   15 o    4.083000      0.7880000       3.979000 1.219000       4.188000      0.9992000     -0.2096000       1.576000
  1 1 1     -18  -23   16 o    2.708000      0.6554000       2.576000 0.8979000       2.840000      0.9551000     -0.2642000       1.311000
  1 1 1     -18  -23   17 o    7.471000      0.3621000       7.017000 0.4915000       7.924000      0.5319000     -0.9064000      0.7243000
  1 1 1     -18  -23   18 o    2.467000      0.7224000       1.628000 0.7822000       3.306000       1.215000      -1.678000       1.445000
  1 1 1     -18  -23   19 o    2.457000      0.7407000       2.259000 0.9625000       2.654000       1.126000     -0.3948000       1.481000
  1 1 1     -18  -23   20 o    3.104000      0.6490000       2.271000 0.9033000       3.937000      0.9322000      -1.667000       1.298000
  1 1 1     -18  -23   21 o    2.864000      0.6826000       2.319000 0.9094000       3.408000       1.018000      -1.089000       1.365000
  1 1 1     -18  -23   22 o    2.326000      0.6576000       2.400000 0.9222000       2.252000      0.9377000      0.1481000       1.315000
  1 1 1     -18  -23   23 o    3.508000      0.6835000       2.846000 0.9564000       4.170000      0.9767000      -1.324000       1.367000
  1 1 1     -18  -23   24 o    2.513000      0.7152000       1.747000 0.8084000       3.278000       1.180000      -1.531000       1.430000
  1 1 1     -18  -23   25 o    3.730000      0.6632000       4.797000 0.8309000       2.662000       1.034000       2.134000       1.326000
  1 1 1     -18  -23   26 o    2.302000      0.6677000       2.179000 0.9189000       2.424000      0.9690000     -0.2448000       1.335000
  1 1 1     -18  -23   27 o    3.038000      0.6803000       3.786000 0.9770000       2.290000      0.9468000       1.496000       1.361000
  1 1 1     -18  -23   28 o    2.360000      0.6339000       3.196000 1.031000       1.524000      0.7372000       1.672000       1.268000
  1 1 1     -18  -22    1 o    5.119000      0.3114000       5.150000 0.3979000       5.089000      0.4792000      0.6067000E-01  0.6228000
  1 1 1     -18  -22    2 o    5.020000      0.3092000       5.046000 0.4132000       4.994000      0.4601000      0.5211000E-01  0.6184000
  1 1 1     -18  -22    3 o    8.823000      0.2495000       8.698000 0.3443000       8.947000      0.3613000     -0.2489000      0.4990000
  1 1 1     -18  -22    4 o    9.184000      0.2446000       8.949000 0.3433000       9.419000      0.3486000     -0.4704000      0.4892000
  1 1 1     -18  -22    5 o    6.115000      0.3107000       5.993000 0.4141000       6.236000      0.4633000     -0.2426000      0.6214000
  1 1 1     -18  -22    6 o    10.32000      0.2546000       10.46000 0.3522000       10.18000      0.3677000      0.2746000      0.5092000
  1 1 1     -18  -22    7 o    6.456000      0.2955000       6.220000 0.4041000       6.693000      0.4314000     -0.4732000      0.5911000
  1 1 1     -18  -22    8 o    3.785000      0.4952000       3.542000 0.6960000       4.028000      0.7045000     -0.4854000      0.9903000
  1 1 1     -18  -22    9 o    6.882000      0.3120000       7.043000 0.4268000       6.721000      0.4551000      0.3223000      0.6239000
  1 1 1     -18  -22   10 o    5.718000      0.3622000       6.075000 0.4590000       5.360000      0.5604000      0.7148000      0.7244000
  1 1 1     -18  -22   11 o    14.63000      0.2757000       14.80000 0.3884000       14.47000      0.3914000      0.3306000      0.5514000
  1 1 1     -18  -22   12 o    16.28000      0.2847000       16.45000 0.4042000       16.11000      0.4012000      0.3423000      0.5695000
  1 1 1     -18  -22   13 o    11.31000      0.2764000       11.54000 0.3826000       11.08000      0.3990000      0.4623000      0.5528000
  1 1 1     -18  -22   14 o    3.046000      0.5941000       3.113000 0.8070000       2.979000      0.8720000      0.1341000       1.188000
  1 1 1     -18  -22   15 o    2.145000      0.6107000       1.946000 0.8252000       2.343000      0.9006000     -0.3976000       1.221000
  1 1 1     -18  -22   16 o    5.252000      0.6323000       5.512000 0.9466000       4.992000      0.8386000      0.5206000       1.265000
  1 1 1     -18  -22   17 o    5.731000      0.4593000       5.245000 0.5383000       6.216000      0.7443000     -0.9705000      0.9185000
  1 1 1     -18  -22   18 o    2.793000      0.6028000       3.660000 0.8400000       1.926000      0.8647000       1.734000       1.206000
  1 1 1     -18  -22   19 o    2.351000      0.6160000       1.731000 0.7938000       2.972000      0.9422000      -1.242000       1.232000
  1 1 1     -18  -22   20 o    3.729000      0.8265000       3.613000 1.058000       3.844000       1.270000     -0.2309000       1.653000
  1 1 1     -18  -22   21 o    2.146000      0.6438000       2.289000 0.9295000       2.002000      0.8909000      0.2871000       1.288000
  1 1 1     -18  -22   22 o    2.386000      0.6860000       2.197000 0.9196000       2.575000       1.018000     -0.3781000       1.372000
  1 1 1     -18  -22   23 o    3.184000      0.7200000       3.305000 0.9996000       3.063000       1.037000      0.2416000       1.440000
  1 1 1     -18  -22   24 o    2.399000      0.9613000       2.399000 0.9613000                  ?              ?              ?              ?
  1 1 1     -18  -22   25 o    3.808000      0.7368000       3.825000 1.019000       3.790000       1.065000      0.3445000E-01   1.474000
  1 1 1     -18  -22   26 o    3.587000       1.044000                  ?       ?   3.587000       1.044000                  ?              ?
  1 1 1     -18  -22   27 o    3.866000      0.6199000       4.771000 0.7602000       2.962000      0.9794000       1.809000       1.240000
  1 1 1     -18  -22   28 o    2.730000      0.6231000       1.819000 0.8399000       3.642000      0.9207000      -1.823000       1.246000
  1 1 1     -18  -22   29 o    2.156000      0.6462000       2.005000 0.8864000       2.307000      0.9405000     -0.3020000       1.292000
  1 1 1     -18  -21    1 o    7.624000      0.2480000       7.726000 0.3361000       7.523000      0.3648000      0.2035000      0.4960000
  1 1 1     -18  -21    2 o    1.872000      0.5088000       1.812000 0.6851000       1.932000      0.7525000     -0.1196000       1.018000
  1 1 1     -18  -21    3 o    5.784000      0.2774000       5.813000 0.3886000       5.755000      0.3959000      0.5767000E-01  0.5547000
  1 1 1     -18  -21    4 o    10.98000      0.2449000       11.38000 0.3399000       10.59000      0.3527000      0.7873000      0.4898000
  1 1 1     -18  -21    5 f    5.160000      0.3319000       5.028000 0.4532000       5.292000      0.4849000     -0.2642000      0.6637000
  1 1 1     -18  -21    6 f    11.10000      0.2481000       11.16000 0.3513000       11.03000      0.3504000      0.1383000      0.4962000
  1 1 1     -18  -21    7 o    9.966000      0.2517000       10.07000 0.3561000       9.862000      0.3558000      0.2079000      0.5034000
  1 1 1     -18  -21    8 o    10.06000      0.2504000       9.948000 0.3518000       10.18000      0.3563000     -0.2291000      0.5007000
  1 1 1     -18  -21    9 o    8.221000      0.2698000       8.181000 0.3857000       8.260000      0.3773000     -0.7908000E-01  0.5396000
  1 1 1     -18  -21   10 o    12.21000      0.2658000       12.06000 0.3727000       12.36000      0.3790000     -0.3026000      0.5315000
  1 1 1     -18  -21   11 f    2.568000      0.6148000       2.438000 0.8412000       2.698000      0.8969000     -0.2601000       1.230000
  1 1 1     -18  -21   12 o    6.912000      0.3182000       7.000000 0.4349000       6.825000      0.4647000      0.1752000      0.6364000
  1 1 1     -18  -21   13 o    4.438000      0.4804000       4.574000 0.6171000       4.303000      0.7365000      0.2711000      0.9609000
  1 1 1     -18  -21   14 o    13.70000      0.2817000       14.00000 0.3880000       13.39000      0.4087000      0.6148000      0.5635000
  1 1 1     -18  -21   15 o    2.597000      0.6463000       2.680000 0.8974000       2.513000      0.9303000      0.1666000       1.293000
  1 1 1     -18  -21   16 o    6.020000      0.3928000       6.340000 0.5056000       5.700000      0.6013000      0.6407000      0.7856000
  1 1 1     -18  -21   17 o    8.281000      0.5226000       7.650000 0.8317000       8.912000      0.6331000      -1.262000       1.045000
  1 1 1     -18  -21   18 f    5.711000      0.6788000       5.438000 1.067000       5.985000      0.8394000     -0.5473000       1.358000
  1 1 1     -18  -21   19 o    5.720000      0.4447000       5.505000 0.6470000       5.936000      0.6103000     -0.4316000      0.8894000
  1 1 1     -18  -21   20 o    3.650000      0.6524000       3.670000 0.9299000       3.630000      0.9153000      0.4055000E-01   1.305000
  1 1 1     -18  -21   21 o    4.412000      0.7874000       4.510000 1.008000       4.314000       1.210000      0.1958000       1.575000
  1 1 1     -18  -21   22 o    3.112000      0.6609000       2.183000 0.9121000       4.041000      0.9567000      -1.858000       1.322000
  1 1 1     -18  -21   23 o    3.470000      0.7172000       3.260000 1.007000       3.680000       1.022000     -0.4202000       1.434000
  1 1 1     -18  -21   24 o    3.162000      0.6699000       4.070000 0.9703000       2.253000      0.9238000       1.817000       1.340000
  1 1 1     -18  -21   25 o    4.666000      0.6343000       5.738000 0.7076000       3.595000       1.053000       2.143000       1.269000
  1 1 1     -18  -21   26 o    4.046000      0.7723000       4.470000 1.149000       3.622000       1.032000      0.8483000       1.545000
  1 1 1     -18  -21   27 o    2.732000      0.7130000       2.816000 1.038000       2.648000      0.9772000      0.1682000       1.426000
  1 1 1     -18  -21   28 o    3.191000      0.7072000       3.129000 1.005000       3.252000      0.9952000     -0.1228000       1.414000
  1 1 1     -18  -21   29 o    2.579000      0.6389000       1.776000 0.8235000       3.382000      0.9770000      -1.605000       1.278000
  1 1 1     -18  -20    1 o    9.693000      0.2280000       9.509000 0.3243000       9.876000      0.3207000     -0.3676000      0.4561000
  1 1 1     -18  -20    2 o    1.703000      0.4838000       1.968000 0.7131000       1.437000      0.6539000      0.5313000      0.9675000
  1 1 1     -18  -20    3 o    2.414000      0.5010000       2.215000 0.7033000       2.613000      0.7137000     -0.3981000       1.002000
  1 1 1     -18  -20    4 o    9.597000      0.2421000       9.457000 0.3389000       9.737000      0.3458000     -0.2808000      0.4842000
  1 1 1     -18  -20    5 o    2.872000      0.5200000       2.297000 0.8068000       3.447000      0.6562000      -1.149000       1.040000
  1 1 1     -18  -20    6 o    3.597000      0.4665000       4.252000 0.5369000       2.941000      0.7631000       1.311000      0.9331000
  1 1 1     -18  -20    7 f    5.704000      0.3270000       5.597000 0.4394000       5.811000      0.4843000     -0.2141000      0.6539000
  1 1 1     -18  -20    8 o    6.032000      0.3250000       5.834000 0.4521000       6.231000      0.4669000     -0.3972000      0.6500000
  1 1 1     -18  -20    9 o    12.88000      0.2566000       12.71000 0.3560000       13.05000      0.3696000     -0.3366000      0.5131000
  1 1 1     -18  -20   10 o    7.364000      0.2847000       7.326000 0.4044000       7.401000      0.4009000     -0.7499000E-01  0.5694000
  1 1 1     -18  -20   11 o    7.167000      0.2996000       7.122000 0.4297000       7.212000      0.4177000     -0.9027000E-01  0.5993000
  1 1 1     -18  -20   12 o    7.514000      0.3116000       7.761000 0.4159000       7.268000      0.4642000      0.4931000      0.6232000
  1 1 1     -18  -20   13 o    5.400000      0.3712000       5.624000 0.4851000       5.175000      0.5618000      0.4492000      0.7423000
  1 1 1     -18  -20   14 o    5.828000      0.3788000       5.590000 0.5251000       6.066000      0.5462000     -0.4769000      0.7577000
  1 1 1     -18  -20   15 o    6.574000      0.3442000       6.560000 0.4716000       6.588000      0.5013000     -0.2807000E-01  0.6883000
  1 1 1     -18  -20   16 o    9.462000      0.3041000       9.819000 0.4131000       9.104000      0.4464000      0.7151000      0.6082000
  1 1 1     -18  -20   17 o    11.30000      0.2936000       11.59000 0.4179000       11.01000      0.4125000      0.5790000      0.5873000
  1 1 1     -18  -20   18 o    6.684000      0.5198000       6.612000 0.7867000       6.756000      0.6796000     -0.1434000       1.040000
  1 1 1     -18  -20   19 o    5.141000      0.7143000       4.511000 1.144000       5.770000      0.8563000      -1.259000       1.429000
  1 1 1     -18  -20   20 o    3.058000      0.5839000       4.202000 0.7967000       1.914000      0.8539000       2.288000       1.168000
  1 1 1     -18  -20   21 o    3.442000      0.6917000       3.612000 0.9503000       3.272000       1.005000      0.3405000       1.383000
  1 1 1     -18  -20   22 o    3.788000      0.8234000       3.320000 1.109000       4.255000       1.218000     -0.9354000       1.647000
  1 1 1     -18  -20   23 o    3.045000      0.7223000       3.332000 0.9954000       2.758000       1.047000      0.5734000       1.445000
  1 1 1     -18  -20   24 o    6.307000      0.4971000       6.345000 0.6595000       6.269000      0.7439000      0.7548000E-01  0.9942000
  1 1 1     -18  -20   25 o    2.392000      0.7017000       2.558000 1.009000       2.227000      0.9758000      0.3307000       1.403000
  1 1 1     -18  -20   26 o    4.891000      0.5856000       4.683000 0.8064000       5.099000      0.8495000     -0.4162000       1.171000
  1 1 1     -18  -20   27 o    3.718000      0.7058000       3.493000 1.055000       3.944000      0.9378000     -0.4504000       1.412000
  1 1 1     -18  -20   28 o    5.525000      0.5060000       6.486000 0.6492000       4.564000      0.7764000       1.922000       1.012000
  1 1 1     -18  -20   29 o    2.264000      0.6508000       1.941000 0.8688000       2.588000      0.9692000     -0.6476000       1.302000
  1 1 1     -18  -20   30 o    1.877000      0.5947000       1.757000 0.8067000       1.997000      0.8739000     -0.2401000       1.189000
  1 1 1     -18  -19    1 o    3.970000      0.4738000       4.220000 0.5182000       3.719000      0.7934000      0.5017000      0.9476000
  1 1 1     -18  -19    2 o    2.009000      0.5600000       1.654000 0.6822000       2.364000      0.8883000     -0.7105000       1.120000
  1 1 1     -18  -19    3 o    7.134000      0.2614000       7.030000 0.3755000       7.238000      0.3638000     -0.2079000      0.5229000
  1 1 1     -18  -19    4 o    7.357000      0.2560000       7.712000 0.3366000       7.002000      0.3859000      0.7099000      0.5121000
  1 1 1     -18  -19    5 o    2.115000      0.5331000       2.230000 0.7491000       1.999000      0.7587000      0.2311000       1.066000
  1 1 1     -18  -19    6 o    10.07000      0.2444000       9.981000 0.3491000       10.17000      0.3422000     -0.1874000      0.4888000
  1 1 1     -18  -19    7 o    10.33000      0.2471000       10.43000 0.3430000       10.23000      0.3557000      0.2008000      0.4941000
  1 1 1     -18  -19    8 o    6.196000      0.2971000       6.044000 0.4107000       6.348000      0.4293000     -0.3032000      0.5941000
  1 1 1     -18  -19    9 o    10.39000      0.2514000       10.59000 0.3544000       10.18000      0.3567000      0.4183000      0.5028000
  1 1 1     -18  -19   10 o    2.254000      0.5649000       1.797000 0.7658000       2.711000      0.8306000     -0.9143000       1.130000
  1 1 1     -18  -19   11 o    10.86000      0.2643000       11.02000 0.3639000       10.70000      0.3834000      0.3262000      0.5286000
  1 1 1     -18  -19   12 o    3.172000      0.5670000       3.008000 0.7897000       3.335000      0.8137000     -0.3270000       1.134000
  1 1 1     -18  -19   13 o    9.663000      0.2783000       9.959000 0.3830000       9.367000      0.4040000      0.5930000      0.5567000
  1 1 1     -18  -19   14 o    5.702000      0.3742000       5.828000 0.5022000       5.577000      0.5550000      0.2513000      0.7485000
  1 1 1     -18  -19   15 o    4.542000      0.4692000       4.454000 0.6744000       4.630000      0.6525000     -0.1763000      0.9384000
  1 1 1     -18  -19   16 o    5.701000      0.3970000       5.219000 0.5938000       6.182000      0.5272000     -0.9637000      0.7940000
  1 1 1     -18  -19   17 o    5.562000      0.4044000       5.791000 0.5304000       5.333000      0.6107000      0.4583000      0.8089000
  1 1 1     -18  -19   18 o    3.460000      0.6010000       3.057000 0.8744000       3.862000      0.8247000     -0.8046000       1.202000
  1 1 1     -18  -19   19 o    3.016000      0.8111000       2.896000 1.165000       3.136000       1.129000     -0.2402000       1.622000
  1 1 1     -18  -19   20 o    4.222000      0.7546000       2.979000 1.212000       5.464000      0.8988000      -2.484000       1.509000
  1 1 1     -18  -19   21 o    2.340000      0.6345000       2.679000 0.9345000       2.001000      0.8585000      0.6785000       1.269000
  1 1 1     -18  -19   22 o    1.739000      0.5645000       1.443000 0.7010000       2.034000      0.8851000     -0.5910000       1.129000
  1 1 1     -18  -19   23 o    3.517000      0.8037000       4.104000 1.082000       2.930000       1.189000       1.174000       1.607000
  1 1 1     -18  -19   24 o    2.419000      0.6916000       2.240000 0.9524000       2.598000       1.003000     -0.3581000       1.383000
  1 1 1     -18  -19   25 o    5.275000      0.5919000       6.617000 0.6448000       3.933000      0.9929000       2.684000       1.184000
  1 1 1     -18  -19   26 o    3.447000      0.7381000       2.823000 1.032000       4.071000       1.056000      -1.248000       1.476000
  1 1 1     -18  -19   27 o    4.639000      0.6380000       4.873000 0.8957000       4.405000      0.9086000      0.4687000       1.276000
  1 1 1     -18  -19   28 f    5.629000      0.4829000       6.279000 0.6446000       4.979000      0.7192000       1.300000      0.9658000
  1 1 1     -18  -19   29 o    2.612000      0.6854000       2.901000 0.9805000       2.324000      0.9580000      0.5772000       1.371000
  1 1 1     -18  -19   30 o    3.263000      0.6216000       2.292000 0.9249000       4.234000      0.8308000      -1.942000       1.243000
  1 1 1     -18  -18    1 o    6.228000      0.2508000       5.665000 0.3623000       6.792000      0.3470000      -1.127000      0.5017000
  1 1 1     -18  -18    2 o    9.554000      0.2270000       9.676000 0.3127000       9.433000      0.3291000      0.2429000      0.4540000
  1 1 1     -18  -18    3 o    3.395000      0.5516000       3.528000 0.6673000       3.262000      0.8785000      0.2659000       1.103000
  1 1 1     -18  -18    4 f    6.906000      0.3471000       7.009000 0.4165000       6.804000      0.5555000      0.2053000      0.6943000
  1 1 1     -18  -18    5 o    6.488000      0.2839000       6.204000 0.4009000       6.771000      0.4022000     -0.5671000      0.5679000
  1 1 1     -18  -18    6 o    3.184000      0.4951000       3.416000 0.6213000       2.952000      0.7711000      0.4640000      0.9902000
  1 1 1     -18  -18    7 o    4.176000      0.3853000       4.709000 0.4827000       3.644000      0.6007000       1.065000      0.7706000
  1 1 1     -18  -18    8 o    7.522000      0.2677000       7.255000 0.3824000       7.790000      0.3748000     -0.5351000      0.5355000
  1 1 1     -18  -18    9 o    9.907000      0.2573000       9.845000 0.3552000       9.969000      0.3723000     -0.1240000      0.5145000
  1 1 1     -18  -18   10 o    3.573000      0.5375000       3.265000 0.7906000       3.882000      0.7284000     -0.6174000       1.075000
  1 1 1     -18  -18   11 o    5.655000      0.3447000       5.387000 0.4928000       5.923000      0.4822000     -0.5365000      0.6895000
  1 1 1     -18  -18   12 o    4.073000      0.4860000       4.210000 0.6581000       3.936000      0.7152000      0.2737000      0.9719000
  1 1 1     -18  -18   13 o    15.65000      0.2808000       15.65000 0.3975000       15.66000      0.3967000     -0.3522000E-02  0.5616000
  1 1 1     -18  -18   14 o    5.762000      0.3825000       5.963000 0.5142000       5.561000      0.5664000      0.4018000      0.7649000
  1 1 1     -18  -18   15 o    10.12000      0.2791000       10.24000 0.3892000       10.01000      0.4001000      0.2276000      0.5582000
  1 1 1     -18  -18   16 o    15.81000      0.2894000       15.31000 0.4039000       16.31000      0.4144000      -1.007000      0.5787000
  1 1 1     -18  -18   17 o    7.469000      0.3283000       7.869000 0.4286000       7.068000      0.4973000      0.8009000      0.6565000
  1 1 1     -18  -18   18 o    7.968000      0.3296000       8.022000 0.4493000       7.913000      0.4822000      0.1093000      0.6591000
  1 1 1     -18  -18   19 o    4.866000      0.4999000       4.664000 0.7095000       5.069000      0.7044000     -0.4048000      0.9998000
  1 1 1     -18  -18   20 o    6.402000      0.5753000       6.667000 0.8761000       6.137000      0.7458000      0.5303000       1.151000
  1 1 1     -18  -18   21 o    2.691000      0.7677000       2.525000 1.087000       2.858000       1.084000     -0.3327000       1.535000
  1 1 1     -18  -18   22 o    3.700000      0.6480000       3.913000 0.8535000       3.488000      0.9753000      0.4249000       1.296000
  1 1 1     -18  -18   23 o    3.506000      0.7624000       2.531000 0.9326000       4.481000       1.206000      -1.951000       1.525000
  1 1 1     -18  -18   24 o    7.743000      0.5765000       8.381000 0.6824000       7.105000      0.9294000       1.276000       1.153000
  1 1 1     -18  -18   25 o    5.758000      0.7278000       5.758000 0.7278000                  ?              ?              ?              ?
  1 1 1     -18  -18   26 o    2.752000      0.7391000       2.358000 0.9837000       3.146000       1.103000     -0.7880000       1.478000
  1 1 1     -18  -18   27 o    2.224000      0.9571000                  ?       ?   2.224000      0.9571000                  ?              ?
  1 1 1     -18  -18   28 o    2.801000      0.7152000       3.039000 1.071000       2.564000      0.9485000      0.4755000       1.430000
  1 1 1     -18  -18   29 o    2.054000      0.6417000       2.080000 0.9161000       2.028000      0.8989000      0.5215000E-01   1.283000
  1 1 1     -18  -18   30 o    3.011000      0.7078000       2.836000 1.005000       3.186000      0.9970000     -0.3503000       1.416000
  1 1 1     -18  -18   31 o    3.440000      0.6554000       3.957000 0.8816000       2.923000      0.9701000       1.034000       1.311000
  1 1 1     -18  -17    1 o    7.911000      0.3346000       8.595000 0.4867000       7.227000      0.4593000       1.368000      0.6692000
  1 1 1     -18  -17    2 o    3.039000      0.4626000       2.945000 0.6572000       3.133000      0.6511000     -0.1883000      0.9252000
  1 1 1     -18  -17    3 o    4.301000      0.3420000       4.505000 0.4532000       4.097000      0.5122000      0.4079000      0.6839000
  1 1 1     -18  -17    4 o    3.389000      0.5840000       3.615000 0.6938000       3.163000      0.9396000      0.4523000       1.168000
  1 1 1     -18  -17    5 o    7.054000      0.3497000       6.508000 0.4679000       7.599000      0.5198000      -1.092000      0.6993000
  1 1 1     -18  -17    6 o    5.957000      0.3044000       5.805000 0.4288000       6.110000      0.4323000     -0.3052000      0.6089000
  1 1 1     -18  -17    7 o    5.926000      0.2948000       5.884000 0.4020000       5.967000      0.4314000     -0.8344000E-01  0.5896000
  1 1 1     -18  -17    8 o    5.719000      0.2970000       5.753000 0.3999000       5.685000      0.4391000      0.6776000E-01  0.5939000
  1 1 1     -18  -17    9 o    3.438000      0.4830000       3.928000 0.5911000       2.948000      0.7641000      0.9792000      0.9661000
  1 1 1     -18  -17   10 o    2.414000      0.5745000       2.623000 0.8042000       2.204000      0.8205000      0.4192000       1.149000
  1 1 1     -18  -17   11 o    8.616000      0.2652000       8.550000 0.3712000       8.682000      0.3788000     -0.1321000      0.5303000
  1 1 1     -18  -17   12 o    3.060000      0.5695000       3.125000 0.7779000       2.995000      0.8320000      0.1297000       1.139000
  1 1 1     -18  -17   13 o    9.523000      0.2644000       9.778000 0.3641000       9.269000      0.3836000      0.5090000      0.5289000
  1 1 1     -18  -17   14 o    11.81000      0.2700000       11.62000 0.3768000       12.00000      0.3868000     -0.3813000      0.5400000
  1 1 1     -18  -17   15 o    4.921000      0.4391000       5.188000 0.5793000       4.655000      0.6601000      0.5333000      0.8782000
  1 1 1     -18  -17   16 o    9.931000      0.2854000       10.30000 0.3945000       9.566000      0.4125000      0.7303000      0.5708000
  1 1 1     -18  -17   17 o    8.845000      0.2904000       9.017000 0.4116000       8.673000      0.4098000      0.3447000      0.5808000
  1 1 1     -18  -17   18 f    3.164000      0.5931000       3.574000 0.7568000       2.753000      0.9135000      0.8209000       1.186000
  1 1 1     -18  -17   19 o    5.997000      0.4027000       6.492000 0.5232000       5.501000      0.6124000      0.9911000      0.8055000
  1 1 1     -18  -17   20 o    5.531000      0.4383000       5.994000 0.5626000       5.068000      0.6721000      0.9262000      0.8765000
  1 1 1     -18  -17   21 o    5.491000      0.6524000       6.406000 0.8490000       4.577000      0.9908000       1.830000       1.305000
  1 1 1     -18  -17   22 o    6.819000      0.4116000       6.495000 0.5976000       7.143000      0.5662000     -0.6480000      0.8232000
  1 1 1     -18  -17   23 o    8.589000      0.3407000       8.538000 0.4821000       8.641000      0.4815000     -0.1032000      0.6814000
  1 1 1     -18  -17   24 f    15.23000      0.4362000       15.03000 0.5916000       15.42000      0.6411000     -0.3888000      0.8724000
  1 1 1     -18  -17   26 o    2.337000      0.6953000       2.264000 0.9598000       2.410000       1.006000     -0.1462000       1.391000
  1 1 1     -18  -17   27 o    4.391000      0.8980000                  ?       ?   4.391000      0.8980000                  ?              ?
  1 1 1     -18  -17   28 o    4.676000      0.6239000       4.213000 1.009000       5.139000      0.7334000     -0.9261000       1.248000
  1 1 1     -18  -17   29 f    7.344000      0.5532000       7.174000 0.9774000       7.513000      0.5185000     -0.3389000       1.106000
  1 1 1     -18  -17   30 o    2.813000      0.6779000       3.339000 0.9762000       2.288000      0.9409000       1.052000       1.356000
  1 1 1     -18  -17   31 o    2.023000      0.5945000       1.634000 0.7659000       2.411000      0.9094000     -0.7765000       1.189000
  1 1 1     -18  -16    1 o    3.708000      0.5038000       3.964000 0.8321000       3.451000      0.5680000      0.5131000       1.008000
  1 1 1     -18  -16    2 o    6.773000      0.3719000       6.818000 0.5652000       6.728000      0.4836000      0.8966000E-01  0.7438000
  1 1 1     -18  -16    3 o    7.277000      0.3607000       7.825000 0.5273000       6.728000      0.4923000       1.097000      0.7214000
  1 1 1     -18  -16    4 o    4.921000      0.2986000       5.250000 0.4070000       4.591000      0.4371000      0.6594000      0.5973000
  1 1 1     -18  -16    5 o    5.957000      0.2821000       6.009000 0.3807000       5.905000      0.4163000      0.1042000      0.5641000
  1 1 1     -18  -16    6 o    7.477000      0.3643000       8.280000 0.4434000       6.675000      0.5781000       1.605000      0.7286000
  1 1 1     -18  -16    7 o    4.879000      0.4838000       3.760000 0.7454000       5.997000      0.6171000      -2.237000      0.9677000
  1 1 1     -18  -16    8 o    4.351000      0.3831000       4.377000 0.4895000       4.326000      0.5893000      0.5065000E-01  0.7661000
  1 1 1     -18  -16    9 o    2.259000      0.5408000       2.420000 0.7484000       2.097000      0.7809000      0.3225000       1.082000
  1 1 1     -18  -16   10 f    3.058000      0.5263000       2.812000 0.7714000       3.304000      0.7162000     -0.4929000       1.053000
  1 1 1     -18  -16   11 o    6.966000      0.3028000       7.304000 0.3895000       6.629000      0.4638000      0.6751000      0.6057000
  1 1 1     -18  -16   12 o    1.637000      0.5185000       1.524000 0.6983000       1.750000      0.7665000     -0.2259000       1.037000
  1 1 1     -18  -16   13 o    14.95000      0.2752000       14.70000 0.3863000       15.20000      0.3920000     -0.4921000      0.5503000
  1 1 1     -18  -16   14 o    8.941000      0.2819000       8.915000 0.3958000       8.967000      0.4015000     -0.5132000E-01  0.5638000
  1 1 1     -18  -16   15 o    6.407000      0.3358000       6.938000 0.4390000       5.876000      0.5083000       1.062000      0.6716000
  1 1 1     -18  -16   16 o    1.978000      0.5721000       2.070000 0.8175000       1.887000      0.8005000      0.1825000       1.144000
  1 1 1     -18  -16   17 o    9.120000      0.2942000       9.298000 0.4105000       8.942000      0.4215000      0.3564000      0.5884000
  1 1 1     -18  -16   18 o    7.621000      0.3224000       7.744000 0.4561000       7.498000      0.4559000      0.2466000      0.6449000
  1 1 1     -18  -16   19 o    8.929000      0.3080000       8.765000 0.4320000       9.092000      0.4393000     -0.3278000      0.6161000
  1 1 1     -18  -16   20 o    2.454000      0.6531000       2.361000 0.9011000       2.547000      0.9457000     -0.1860000       1.306000
  1 1 1     -18  -16   21 o    3.405000      0.6012000       4.105000 0.7404000       2.705000      0.9474000       1.400000       1.202000
  1 1 1     -18  -16   22 o    6.978000      0.5907000       6.902000 0.9158000       7.054000      0.7464000     -0.1519000       1.181000
  1 1 1     -18  -16   23 o    3.483000      0.6775000       3.303000 0.9407000       3.662000      0.9753000     -0.3585000       1.355000
  1 1 1     -18  -16   24 o    11.29000      0.3263000       11.26000 0.4568000       11.32000      0.4663000     -0.6157000E-01  0.6527000
  1 1 1     -18  -16   25 o    2.773000      0.7908000       3.137000 1.141000       2.408000       1.095000      0.7297000       1.582000
  1 1 1     -18  -16   26 o    2.549000      0.7040000       2.508000 0.9756000       2.590000       1.015000     -0.8279000E-01   1.408000
  1 1 1     -18  -16   27 o    3.788000      0.6784000       4.641000 0.8895000       2.935000       1.025000       1.706000       1.357000
  1 1 1     -18  -16   28 o    3.639000      0.6960000       3.405000 1.038000       3.873000      0.9276000     -0.4683000       1.392000
  1 1 1     -18  -16   29 o    3.863000      0.6578000       4.177000 0.9252000       3.548000      0.9352000      0.6283000       1.316000
  1 1 1     -18  -16   30 o    5.900000      0.4659000       5.336000 0.7119000       6.463000      0.6013000      -1.127000      0.9318000
  1 1 1     -18  -16   31 o    2.816000      0.6884000       3.046000 0.9890000       2.586000      0.9579000      0.4602000       1.377000
  1 1 1     -18  -16   32 o    3.385000      0.8384000       3.482000 1.212000       3.288000       1.159000      0.1942000       1.677000
  1 1 1     -18  -15    1 o    6.284000      0.2421000       6.318000 0.3286000       6.250000      0.3557000      0.6812000E-01  0.4843000
  1 1 1     -18  -15    2 o    2.465000      0.4786000       2.817000 0.6565000       2.112000      0.6966000      0.7053000      0.9572000
  1 1 1     -18  -15    3 o    4.649000      0.4909000       4.796000 0.7431000       4.502000      0.6417000      0.2941000      0.9818000
  1 1 1     -18  -15    4 o    6.757000      0.3799000       7.303000 0.5487000       6.212000      0.5255000       1.092000      0.7597000
  1 1 1     -18  -15    5 o    5.982000      0.2672000       6.115000 0.3653000       5.849000      0.3902000      0.2660000      0.5345000
  1 1 1     -18  -15    6 o    6.390000      0.2689000       5.966000 0.3753000       6.813000      0.3853000     -0.8466000      0.5379000
  1 1 1     -18  -15    7 o    6.809000      0.3450000       6.702000 0.4567000       6.916000      0.5173000     -0.2138000      0.6901000
  1 1 1     -18  -15    8 o    3.304000      0.5581000       4.153000 0.6753000       2.455000      0.8887000       1.698000       1.116000
  1 1 1     -18  -15    9 o    2.549000      0.5200000       1.846000 0.7462000       3.253000      0.7243000      -1.407000       1.040000
  1 1 1     -18  -15   10 o    1.686000      0.5055000       1.572000 0.6819000       1.801000      0.7463000     -0.2290000       1.011000
  1 1 1     -18  -15   11 o    6.480000      0.3077000       6.454000 0.4323000       6.505000      0.4381000     -0.5136000E-01  0.6154000
  1 1 1     -18  -15   12 o    3.872000      0.4885000       3.883000 0.6727000       3.861000      0.7085000      0.2154000E-01  0.9770000
  1 1 1     -18  -15   13 o    20.39000      0.3209000       20.42000 0.4549000       20.37000      0.4526000      0.4910000E-01  0.6417000
  1 1 1     -18  -15   14 o    4.086000      0.4612000       3.837000 0.6573000       4.335000      0.6470000     -0.4975000      0.9223000
  1 1 1     -18  -15   15 o    2.694000      0.5854000       1.957000 0.8109000       3.432000      0.8445000      -1.476000       1.171000
  1 1 1     -18  -15   16 o    6.153000      0.3539000       6.150000 0.4897000       6.156000      0.5111000     -0.6388000E-02  0.7079000
  1 1 1     -18  -15   17 o    9.479000      0.2847000       9.262000 0.3993000       9.696000      0.4059000     -0.4331000      0.5694000
  1 1 1     -18  -15   18 o    7.802000      0.3192000       7.849000 0.4376000       7.755000      0.4647000      0.9419000E-01  0.6383000
  1 1 1     -18  -15   19 o    12.05000      0.2798000       11.57000 0.3869000       12.53000      0.4042000     -0.9596000      0.5595000
  1 1 1     -18  -15   20 o    3.671000      0.6028000       3.702000 0.8283000       3.640000      0.8759000      0.6174000E-01   1.206000
  1 1 1     -18  -15   21 o    3.794000      0.5951000       3.950000 0.8092000       3.637000      0.8728000      0.3130000       1.190000
  1 1 1     -18  -15   22 o    9.538000      0.4781000       9.097000 0.7199000       9.980000      0.6294000     -0.8834000      0.9562000
  1 1 1     -18  -15   23 o    5.537000      0.6856000       4.497000 1.115000       6.578000      0.7977000      -2.080000       1.371000
  1 1 1     -18  -15   24 o    5.058000      0.5282000       5.170000 0.7147000       4.946000      0.7778000      0.2241000       1.056000
  1 1 1     -18  -15   25 o    4.669000      0.7858000       4.727000 1.010000       4.612000       1.204000      0.1150000       1.572000
  1 1 1     -18  -15   26 o    8.993000      0.4921000       8.058000 0.6758000       9.928000      0.7154000      -1.870000      0.9842000
  1 1 1     -18  -15   27 f    3.373000      0.7228000       3.133000 1.033000       3.613000       1.011000     -0.4808000       1.446000
  1 1 1     -18  -15   28 o    3.005000      0.7210000       3.415000 1.044000       2.595000      0.9949000      0.8199000       1.442000
  1 1 1     -18  -15   29 o    5.394000      0.4955000       5.422000 0.7223000       5.367000      0.6785000      0.5536000E-01  0.9910000
  1 1 1     -18  -15   30 o    7.386000      0.3944000       7.506000 0.5648000       7.266000      0.5507000      0.2404000      0.7888000
  1 1 1     -18  -15   31 o    1.971000      0.6092000       1.989000 0.8613000       1.954000      0.8618000      0.3546000E-01   1.218000
  1 1 1     -18  -15   32 o    1.829000      0.5764000       1.613000 0.7612000       2.045000      0.8657000     -0.4315000       1.153000
  1 1 1     -18  -14    1 o    7.111000      0.2333000       7.180000 0.3182000       7.042000      0.3414000      0.1381000      0.4667000
  1 1 1     -18  -14    2 o    3.425000      0.3837000       3.444000 0.5073000       3.406000      0.5759000      0.3808000E-01  0.7675000
  1 1 1     -18  -14    3 o    2.804000      0.4768000       2.972000 0.6580000       2.636000      0.6902000      0.3354000      0.9536000
  1 1 1     -18  -14    4 o    11.32000      0.3303000       12.03000 0.4912000       10.61000      0.4418000       1.416000      0.6606000
  1 1 1     -18  -14    5 o    3.816000      0.5786000       3.465000 0.9223000       4.166000      0.6987000     -0.7006000       1.157000
  1 1 1     -18  -14    6 o    4.427000      0.3417000       4.625000 0.4639000       4.228000      0.5019000      0.3973000      0.6834000
  1 1 1     -18  -14    7 o    1.592000      0.4824000       1.669000 0.7018000       1.515000      0.6621000      0.1537000      0.9649000
  1 1 1     -18  -14    8 o    6.083000      0.3999000       6.343000 0.5185000       5.822000      0.6090000      0.5205000      0.7998000
  1 1 1     -18  -14    9 o    8.155000      0.2588000       8.110000 0.3690000       8.201000      0.3631000     -0.9099000E-01  0.5176000
  1 1 1     -18  -14   10 o    7.557000      0.2654000       7.463000 0.3745000       7.651000      0.3762000     -0.1889000      0.5308000
  1 1 1     -18  -14   11 o    2.587000      0.5563000       2.828000 0.7727000       2.346000      0.8006000      0.4823000       1.113000
  1 1 1     -18  -14   12 o    3.099000      0.5324000       3.296000 0.7161000       2.901000      0.7880000      0.3952000       1.065000
  1 1 1     -18  -14   13 o    17.38000      0.2923000       17.58000 0.4164000       17.18000      0.4102000      0.3991000      0.5845000
  1 1 1     -18  -14   14 o    2.635000      0.6009000       2.720000 0.8382000       2.550000      0.8612000      0.1704000       1.202000
  1 1 1     -18  -14   15 o    2.839000      0.6103000       2.713000 0.8525000       2.964000      0.8736000     -0.2512000       1.221000
  1 1 1     -18  -14   16 o    7.691000      0.3062000       7.842000 0.4038000       7.541000      0.4603000      0.3010000      0.6123000
  1 1 1     -18  -14   17 o    6.120000      0.3656000       6.106000 0.5009000       6.135000      0.5326000     -0.2862000E-01  0.7311000
  1 1 1     -18  -14   18 o    2.711000      0.6022000       2.285000 0.8419000       3.137000      0.8612000     -0.8526000       1.204000
  1 1 1     -18  -14   19 o    7.189000      0.3400000       7.269000 0.4665000       7.109000      0.4947000      0.1605000      0.6800000
  1 1 1     -18  -14   20 o    2.433000      0.6462000       2.434000 0.9030000       2.431000      0.9245000      0.2712000E-02   1.292000
  1 1 1     -18  -14   21 o    3.878000      0.5759000       4.390000 0.7177000       3.367000      0.9009000       1.023000       1.152000
  1 1 1     -18  -14   22 o    9.673000      0.3084000       9.335000 0.4370000       10.01000      0.4355000     -0.6765000      0.6169000
  1 1 1     -18  -14   23 o    7.657000      0.5152000       6.992000 0.7942000       8.323000      0.6565000      -1.331000       1.030000
  1 1 1     -18  -14   24 o    9.206000      0.3369000       8.823000 0.4838000       9.589000      0.4691000     -0.7664000      0.6739000
  1 1 1     -18  -14   25 f    8.330000      0.3612000       8.475000 0.5010000       8.184000      0.5205000      0.2913000      0.7224000
  1 1 1     -18  -14   26 o    13.06000      0.5816000       13.06000 0.5816000                  ?              ?              ?              ?
  1 1 1     -18  -14   27 o    5.477000      0.5130000       5.515000 0.7292000       5.439000      0.7218000      0.7608000E-01   1.026000
  1 1 1     -18  -14   28 o    3.697000      0.6877000       3.634000 1.010000       3.759000      0.9337000     -0.1247000       1.375000
  1 1 1     -18  -14   29 o    2.247000      0.6591000       2.566000 0.9949000       1.927000      0.8648000      0.6381000       1.318000
  1 1 1     -18  -14   30 o    1.842000      0.5890000       2.071000 0.8977000       1.612000      0.7626000      0.4590000       1.178000
  1 1 1     -18  -14   31 f    3.082000      0.6834000       2.682000 0.9782000       3.482000      0.9547000     -0.7998000       1.367000
  1 1 1     -18  -14   32 o    1.878000      0.5911000       1.729000 0.7996000       2.026000      0.8707000     -0.2965000       1.182000
  1 1 1     -18  -13    1 o    8.801000      0.2118000       8.869000 0.2979000       8.732000      0.3010000      0.1378000      0.4235000
  1 1 1     -18  -13    2 o    7.015000      0.2325000       6.759000 0.3320000       7.272000      0.3257000     -0.5126000      0.4651000
  1 1 1     -18  -13    3 o    12.42000      0.2303000       12.56000 0.3259000       12.28000      0.3256000      0.2814000      0.4606000
  1 1 1     -18  -13    4 o    13.69000      0.2415000       13.49000 0.3391000       13.90000      0.3439000     -0.4170000      0.4830000
  1 1 1     -18  -13    5 o    2.531000      0.6107000       2.152000 0.8754000       2.911000      0.8516000     -0.7594000       1.221000
  1 1 1     -18  -13    6 o    3.683000      0.5857000       4.133000 0.8122000       3.232000      0.8441000      0.9012000       1.171000
  1 1 1     -18  -13    7 o    5.961000      0.2793000       5.595000 0.4095000       6.326000      0.3799000     -0.7310000      0.5586000
  1 1 1     -18  -13    8 f    4.255000      0.3249000       4.645000 0.4254000       3.866000      0.4911000      0.7791000      0.6497000
  1 1 1     -18  -13    9 o    6.236000      0.3727000       6.078000 0.5300000       6.393000      0.5243000     -0.3156000      0.7455000
  1 1 1     -18  -13   10 o    8.696000      0.2579000       8.706000 0.3634000       8.686000      0.3659000      0.2009000E-01  0.5157000
  1 1 1     -18  -13   11 o    5.464000      0.3251000       5.433000 0.4602000       5.496000      0.4595000     -0.6273000E-01  0.6503000
  1 1 1     -18  -13   12 o    4.209000      0.4064000       3.958000 0.6006000       4.461000      0.5476000     -0.5033000      0.8128000
  1 1 1     -18  -13   13 o    2.699000      0.5845000       2.662000 0.8334000       2.735000      0.8197000     -0.7335000E-01   1.169000
  1 1 1     -18  -13   14 o    9.491000      0.2707000       9.397000 0.3807000       9.585000      0.3849000     -0.1885000      0.5414000
  1 1 1     -18  -13   15 f    9.151000      0.2778000       9.338000 0.3894000       8.963000      0.3964000      0.3750000      0.5557000
  1 1 1     -18  -13   16 o    6.879000      0.3224000       7.114000 0.4390000       6.645000      0.4722000      0.4688000      0.6448000
  1 1 1     -18  -13   17 f    7.742000      0.3039000       7.259000 0.4403000       8.224000      0.4191000     -0.9651000      0.6079000
  1 1 1     -18  -13   18 o    4.638000      0.4515000       4.996000 0.5889000       4.279000      0.6847000      0.7169000      0.9031000
  1 1 1     -18  -13   19 o    7.816000      0.3074000       8.021000 0.4208000       7.611000      0.4481000      0.4102000      0.6147000
  1 1 1     -18  -13   20 o    10.45000      0.2853000       10.20000 0.3983000       10.70000      0.4085000     -0.4966000      0.5705000
  1 1 1     -18  -13   21 o    2.917000      0.6433000       2.948000 0.8991000       2.886000      0.9204000      0.6159000E-01   1.287000
  1 1 1     -18  -13   22 o    3.811000      0.5742000       4.346000 0.7089000       3.276000      0.9034000       1.070000       1.148000
  1 1 1     -18  -13   23 f    4.466000      0.7643000       4.685000 1.079000       4.247000       1.083000      0.4377000       1.529000
  1 1 1     -18  -13   24 o    10.87000      0.3179000       11.14000 0.4469000       10.60000      0.4523000      0.5457000      0.6358000
  1 1 1     -18  -13   25 o    2.594000      0.6806000       2.188000 0.9183000       2.999000       1.005000     -0.8109000       1.361000
  1 1 1     -18  -13   26 o    9.482000      0.6429000       9.482000 0.6429000                  ?              ?              ?              ?
  1 1 1     -18  -13   27 o    5.077000      0.5908000       6.271000 0.6757000       3.883000      0.9692000       2.388000       1.182000
  1 1 1     -18  -13   28 o    3.335000      0.9955000                  ?       ?   3.335000      0.9955000                  ?              ?
  1 1 1     -18  -13   29 o    2.436000      0.6860000       2.377000 0.9783000       2.495000      0.9620000     -0.1174000       1.372000
  1 1 1     -18  -13   30 o    2.164000      0.6446000       2.243000 0.9366000       2.086000      0.8859000      0.1574000       1.289000
  1 1 1     -18  -13   31 o    3.193000      0.6552000       3.753000 0.8940000       2.632000      0.9581000       1.121000       1.310000
  1 1 1     -18  -13   32 o    2.812000      0.6568000       2.296000 0.9253000       3.328000      0.9323000      -1.032000       1.314000
  1 1 1     -18  -12    1 o    7.220000      0.2193000       7.050000 0.3047000       7.391000      0.3156000     -0.3409000      0.4386000
  1 1 1     -18  -12    2 o    7.821000      0.2209000       8.230000 0.3091000       7.411000      0.3156000      0.8187000      0.4418000
  1 1 1     -18  -12    3 f    4.009000      0.3367000       3.845000 0.4910000       4.172000      0.4610000     -0.3273000      0.6735000
  1 1 1     -18  -12    4 o    6.626000      0.2454000       6.583000 0.3487000       6.670000      0.3452000     -0.8767000E-01  0.4907000
  1 1 1     -18  -12    5 o    2.191000      0.5062000       2.456000 0.7149000       1.926000      0.7168000      0.5299000       1.012000
  1 1 1     -18  -12    6 o    3.755000      0.5769000       3.623000 0.8831000       3.887000      0.7425000     -0.2648000       1.154000
  1 1 1     -18  -12    7 o    8.795000      0.2390000       8.932000 0.3306000       8.658000      0.3451000      0.2740000      0.4779000
  1 1 1     -18  -12    8 o    11.95000      0.2404000       12.36000 0.3415000       11.54000      0.3384000      0.8202000      0.4808000
  1 1 1     -18  -12    9 o    2.180000      0.5889000       2.288000 0.8363000       2.072000      0.8295000      0.2164000       1.178000
  1 1 1     -18  -12   10 o    8.457000      0.3408000       8.611000 0.4497000       8.304000      0.5123000      0.3068000      0.6817000
  1 1 1     -18  -12   11 o    8.026000      0.2617000       8.151000 0.3592000       7.900000      0.3806000      0.2511000      0.5234000
  1 1 1     -18  -12   12 o    2.597000      0.5556000       2.252000 0.7930000       2.942000      0.7785000     -0.6902000       1.111000
  1 1 1     -18  -12   13 o    2.916000      0.5555000       2.978000 0.7621000       2.854000      0.8085000      0.1240000       1.111000
  1 1 1     -18  -12   14 o    10.75000      0.2659000       11.12000 0.3720000       10.38000      0.3801000      0.7361000      0.5318000
  1 1 1     -18  -12   15 o    3.861000      0.4807000       3.543000 0.7196000       4.178000      0.6376000     -0.6345000      0.9614000
  1 1 1     -18  -12   16 o    7.516000      0.3022000       7.527000 0.4169000       7.506000      0.4376000      0.2033000E-01  0.6044000
  1 1 1     -18  -12   17 o    7.215000      0.3103000       7.474000 0.4200000       6.956000      0.4570000      0.5179000      0.6207000
  1 1 1     -18  -12   18 o    11.91000      0.2694000       11.97000 0.3819000       11.85000      0.3801000      0.1204000      0.5389000
  1 1 1     -18  -12   19 o    13.88000      0.2802000       14.34000 0.3964000       13.42000      0.3960000      0.9185000      0.5603000
  1 1 1     -18  -12   20 o    9.973000      0.2838000       9.602000 0.4022000       10.34000      0.4006000     -0.7412000      0.5676000
  1 1 1     -18  -12   21 o    4.311000      0.5225000       4.153000 0.7443000       4.470000      0.7335000     -0.3164000       1.045000
  1 1 1     -18  -12   22 o    6.365000      0.3848000       6.489000 0.5334000       6.241000      0.5547000      0.2478000      0.7696000
  1 1 1     -18  -12   23 o    7.299000      0.5603000       6.143000 0.9283000       8.456000      0.6277000      -2.312000       1.121000
  1 1 1     -18  -12   24 o    5.903000      0.6495000       5.080000 1.043000       6.726000      0.7746000      -1.646000       1.299000
  1 1 1     -18  -12   25 o    9.140000      0.3390000       9.354000 0.4587000       8.927000      0.4992000      0.4270000      0.6780000
  1 1 1     -18  -12   26 o    9.137000      0.4973000       9.177000 0.6632000       9.098000      0.7412000      0.7877000E-01  0.9946000
  1 1 1     -18  -12   27 o    8.470000      0.5236000       8.290000 0.7157000       8.651000      0.7644000     -0.3617000       1.047000
  1 1 1     -18  -12   28 o    2.944000      0.6892000       2.747000 0.9445000       3.140000       1.004000     -0.3930000       1.378000
  1 1 1     -18  -12   29 o    1.948000      0.6204000       1.805000 0.8427000       2.091000      0.9108000     -0.2860000       1.241000
  1 1 1     -18  -12   30 o    2.411000      0.6765000       2.255000 0.9426000       2.567000      0.9706000     -0.3127000       1.353000
  1 1 1     -18  -12   31 o    3.918000      0.6259000       4.662000 0.7770000       3.175000      0.9815000       1.487000       1.252000
  1 1 1     -18  -12   32 o    2.410000      0.5896000       1.539000 0.7382000       3.280000      0.9195000      -1.741000       1.179000
  1 1 1     -18  -12   33 o    2.750000      0.7015000       3.805000 1.162000       1.696000      0.7858000       2.109000       1.403000
  1 1 1     -18  -11    1 o    9.294000      0.2120000       9.245000 0.3019000       9.343000      0.2976000     -0.9758000E-01  0.4240000
  1 1 1     -18  -11    2 o    4.416000      0.2921000       4.530000 0.4138000       4.302000      0.4123000      0.2282000      0.5841000
  1 1 1     -18  -11    3 o    8.995000      0.2194000       9.212000 0.3094000       8.779000      0.3113000      0.4326000      0.4389000
  1 1 1     -18  -11    4 o    4.970000      0.2907000       5.223000 0.3940000       4.716000      0.4275000      0.5066000      0.5814000
  1 1 1     -18  -11    5 o    4.094000      0.3499000       3.909000 0.5172000       4.280000      0.4715000     -0.3710000      0.6998000
  1 1 1     -18  -11    6 o    6.782000      0.3628000       6.556000 0.5419000       7.008000      0.4825000     -0.4520000      0.7256000
  1 1 1     -18  -11    7 o    8.999000      0.3352000       8.553000 0.4922000       9.445000      0.4552000     -0.8926000      0.6704000
  1 1 1     -18  -11    8 o    7.948000      0.2459000       7.979000 0.3460000       7.918000      0.3494000      0.6084000E-01  0.4918000
  1 1 1     -18  -11    9 o    4.600000      0.3371000       4.789000 0.4553000       4.411000      0.4974000      0.3780000      0.6743000
  1 1 1     -18  -11   10 o    5.302000      0.4248000       5.158000 0.5596000       5.445000      0.6391000     -0.2872000      0.8495000
  1 1 1     -18  -11   11 o    2.506000      0.5419000       2.452000 0.7725000       2.559000      0.7602000     -0.1071000       1.084000
  1 1 1     -18  -11   12 o    3.452000      0.4887000       4.016000 0.5851000       2.888000      0.7830000       1.129000      0.9775000
  1 1 1     -18  -11   13 o    1.734000      0.5203000       1.733000 0.7351000       1.735000      0.7366000     -0.2274000E-02   1.041000
  1 1 1     -18  -11   14 o    6.626000      0.3093000       6.499000 0.4325000       6.752000      0.4423000     -0.2522000      0.6186000
  1 1 1     -18  -11   15 o    10.97000      0.2629000       10.56000 0.3717000       11.37000      0.3718000     -0.8080000      0.5257000
  1 1 1     -18  -11   16 o    6.911000      0.3128000       6.918000 0.4380000       6.905000      0.4467000      0.1268000E-01  0.6256000
  1 1 1     -18  -11   17 f    6.285000      0.3327000       6.343000 0.4585000       6.227000      0.4823000      0.1160000      0.6655000
  1 1 1     -18  -11   18 o    9.818000      0.2777000       9.835000 0.3910000       9.800000      0.3945000      0.3517000E-01  0.5555000
  1 1 1     -18  -11   19 o    12.65000      0.2744000       13.14000 0.3893000       12.17000      0.3867000      0.9760000      0.5488000
  1 1 1     -18  -11   20 o    6.792000      0.3437000       6.821000 0.4841000       6.764000      0.4881000      0.5714000E-01  0.6875000
  1 1 1     -18  -11   21 o    4.384000      0.5171000       4.134000 0.7539000       4.633000      0.7080000     -0.4992000       1.034000
  1 1 1     -18  -11   22 o    2.014000      0.6063000       1.947000 0.8415000       2.082000      0.8730000     -0.1350000       1.213000
  1 1 1     -18  -11   23 o    6.714000      0.3218000       6.255000 0.4603000       7.173000      0.4499000     -0.9183000      0.6436000
  1 1 1     -18  -11   24 o    8.504000      0.4763000       9.296000 0.6533000       7.712000      0.6934000       1.585000      0.9527000
  1 1 1     -18  -11   25 o    7.867000      0.3711000       7.146000 0.5540000       8.588000      0.4940000      -1.441000      0.7423000
  1 1 1     -18  -11   26 o    7.253000      0.5626000       7.062000 0.7499000       7.444000      0.8388000     -0.3819000       1.125000
  1 1 1     -18  -11   27 o    5.915000      0.6957000       4.991000 1.061000       6.840000      0.9006000      -1.849000       1.391000
  1 1 1     -18  -11   28 o    4.805000      0.5750000       4.755000 0.8397000       4.856000      0.7858000     -0.1015000       1.150000
  1 1 1     -18  -11   29 o    3.345000      0.7158000       3.137000 1.029000       3.553000      0.9958000     -0.4157000       1.432000
  1 1 1     -18  -11   30 o    2.800000      0.6999000       2.991000 1.012000       2.610000      0.9669000      0.3807000       1.400000
  1 1 1     -18  -11   31 o    3.644000      0.6607000       3.299000 0.9973000       3.989000      0.8670000     -0.6909000       1.321000
  1 1 1     -18  -11   32 o    2.431000      0.6250000       1.780000 0.8200000       3.082000      0.9434000      -1.303000       1.250000
  1 1 1     -18  -11   33 f    1.945000      0.5972000       2.094000 0.8821000       1.796000      0.8052000      0.2978000       1.194000
  1 1 1     -18  -10    1 o    6.964000      0.2267000       7.211000 0.3152000       6.717000      0.3259000      0.4935000      0.4534000
  1 1 1     -18  -10    2 o    2.605000      0.4477000       2.419000 0.6301000       2.791000      0.6361000     -0.3721000      0.8954000
  1 1 1     -18  -10    3 o    5.941000      0.2539000       5.921000 0.3527000       5.961000      0.3652000     -0.3969000E-01  0.5077000
  1 1 1     -18  -10    4 o    8.634000      0.2215000       8.636000 0.3088000       8.631000      0.3176000      0.4707000E-02  0.4429000
  1 1 1     -18  -10    5 o    2.685000      0.4629000       3.296000 0.5790000       2.074000      0.7223000       1.222000      0.9257000
  1 1 1     -18  -10    6 o    6.486000      0.2529000       6.712000 0.3571000       6.259000      0.3583000      0.4527000      0.5058000
  1 1 1     -18  -10    7 o    8.903000      0.3304000       8.377000 0.4796000       9.428000      0.4545000      -1.052000      0.6608000
  1 1 1     -18  -10    8 o    3.410000      0.4255000       3.465000 0.5875000       3.355000      0.6158000      0.1092000      0.8511000
  1 1 1     -18  -10    9 o    9.602000      0.2389000       9.897000 0.3337000       9.307000      0.3419000      0.5901000      0.4777000
  1 1 1     -18  -10   10 o    4.119000      0.5515000       3.221000 0.8561000       5.017000      0.6954000      -1.796000       1.103000
  1 1 1     -18  -10   11 f    3.087000      0.5231000       2.646000 0.7776000       3.528000      0.7000000     -0.8816000       1.046000
  1 1 1     -18  -10   12 o    6.947000      0.2825000       7.083000 0.3900000       6.811000      0.4089000      0.2720000      0.5651000
  1 1 1     -18  -10   13 o    7.261000      0.2820000       7.298000 0.3992000       7.223000      0.3984000      0.7494000E-01  0.5640000
  1 1 1     -18  -10   14 o    11.67000      0.2613000       11.96000 0.3653000       11.37000      0.3736000      0.5840000      0.5226000
  1 1 1     -18  -10   15 o    17.04000      0.2899000       16.95000 0.4084000       17.13000      0.4114000     -0.1722000      0.5797000
  1 1 1     -18  -10   16 o    8.377000      0.2898000       9.082000 0.3891000       7.672000      0.4297000       1.410000      0.5797000
  1 1 1     -18  -10   17 o    4.091000      0.4865000       3.577000 0.7541000       4.605000      0.6148000      -1.028000      0.9730000
  1 1 1     -18  -10   18 o    1.912000      0.5638000       1.939000 0.7972000       1.885000      0.7974000      0.5413000E-01   1.128000
  1 1 1     -18  -10   19 o    4.148000      0.4946000       4.481000 0.6367000       3.814000      0.7571000      0.6667000      0.9892000
  1 1 1     -18  -10   20 o    4.470000      0.4769000       4.025000 0.7288000       4.914000      0.6154000     -0.8884000      0.9539000
  1 1 1     -18  -10   21 o    4.938000      0.4463000       4.778000 0.6389000       5.098000      0.6233000     -0.3194000      0.8926000
  1 1 1     -18  -10   22 o    8.618000      0.3171000       8.031000 0.4637000       9.205000      0.4327000      -1.174000      0.6342000
  1 1 1     -18  -10   23 o    6.867000      0.3724000       7.121000 0.5227000       6.612000      0.5305000      0.5083000      0.7448000
  1 1 1     -18  -10   24 o    8.786000      0.4551000       8.734000 0.6592000       8.838000      0.6275000     -0.1042000      0.9101000
  1 1 1     -18  -10   25 o    2.828000      0.6841000       2.464000 0.9431000       3.191000      0.9912000     -0.7279000       1.368000
  1 1 1     -18  -10   26 o    4.002000      0.5663000       4.174000 0.7444000       3.831000      0.8535000      0.3431000       1.133000
  1 1 1     -18  -10   27 o    3.758000      0.8302000       3.905000 1.215000       3.612000       1.132000      0.2930000       1.660000
  1 1 1     -18  -10   28 o    4.702000      0.5824000       4.640000 0.8552000       4.764000      0.7910000     -0.1241000       1.165000
  1 1 1     -18  -10   29 o    4.140000      0.6455000       3.343000 1.039000       4.936000      0.7666000      -1.593000       1.291000
  1 1 1     -18  -10   30 o    6.288000      0.4671000       5.448000 0.7485000       7.128000      0.5590000      -1.680000      0.9342000
  1 1 1     -18  -10   31 o    3.027000      0.6874000       3.425000 0.9639000       2.630000      0.9801000      0.7953000       1.375000
  1 1 1     -18  -10   32 o    4.407000      0.5937000       4.658000 0.8259000       4.156000      0.8530000      0.5027000       1.187000
  1 1 1     -18  -10   33 o    2.690000      0.6612000       2.391000 0.9233000       2.989000      0.9467000     -0.5974000       1.322000
  1 1 1     -18   -9    1 o    9.269000      0.2091000       9.561000 0.2983000       8.977000      0.2930000      0.5833000      0.4181000
  1 1 1     -18   -9    2 o    6.531000      0.2266000       6.518000 0.3211000       6.543000      0.3198000     -0.2486000E-01  0.4532000
  1 1 1     -18   -9    3 o    11.41000      0.2197000       11.33000 0.3089000       11.49000      0.3125000     -0.1669000      0.4395000
  1 1 1     -18   -9    4 o    4.228000      0.3142000       4.249000 0.4305000       4.207000      0.4578000      0.4159000E-01  0.6284000
  1 1 1     -18   -9    5 o    3.753000      0.3656000       4.328000 0.4524000       3.179000      0.5743000       1.149000      0.7311000
  1 1 1     -18   -9    6 o    6.520000      0.2524000       6.358000 0.3644000       6.683000      0.3492000     -0.3253000      0.5048000
  1 1 1     -18   -9    7 o    2.813000      0.6159000       3.059000 0.8904000       2.566000      0.8512000      0.4936000       1.232000
  1 1 1     -18   -9    8 f    5.530000      0.2886000       5.489000 0.4123000       5.571000      0.4039000     -0.8250000E-01  0.5772000
  1 1 1     -18   -9    9 o    2.079000      0.5052000       2.492000 0.7350000       1.666000      0.6933000      0.8259000       1.010000
  1 1 1     -18   -9   10 o    7.800000      0.3549000       8.195000 0.4754000       7.406000      0.5270000      0.7892000      0.7098000
  1 1 1     -18   -9   11 o    7.701000      0.3543000       7.528000 0.4859000       7.874000      0.5158000     -0.3461000      0.7086000
  1 1 1     -18   -9   12 o    9.946000      0.2498000       9.979000 0.3583000       9.914000      0.3482000      0.6502000E-01  0.4996000
  1 1 1     -18   -9   13 o    4.609000      0.3654000       5.064000 0.4767000       4.155000      0.5539000      0.9089000      0.7308000
  1 1 1     -18   -9   14 o    14.91000      0.2728000       15.07000 0.3854000       14.75000      0.3863000      0.3240000      0.5457000
  1 1 1     -18   -9   15 o    12.17000      0.2611000       12.30000 0.3704000       12.04000      0.3682000      0.2602000      0.5223000
  1 1 1     -18   -9   16 o    8.586000      0.2779000       8.909000 0.3919000       8.263000      0.3941000      0.6461000      0.5558000
  1 1 1     -18   -9   17 o    2.590000      0.5709000       2.094000 0.8074000       3.086000      0.8073000     -0.9915000       1.142000
  1 1 1     -18   -9   18 o    6.278000      0.3442000       5.693000 0.5096000       6.864000      0.4627000      -1.171000      0.6883000
  1 1 1     -18   -9   19 o    3.607000      0.5491000       3.983000 0.7160000       3.231000      0.8328000      0.7527000       1.098000
  1 1 1     -18   -9   20 f    9.042000      0.2879000       9.261000 0.4014000       8.823000      0.4129000      0.4381000      0.5758000
  1 1 1     -18   -9   21 o    4.605000      0.4660000       4.533000 0.6766000       4.677000      0.6408000     -0.1443000      0.9319000
  1 1 1     -18   -9   22 o    6.625000      0.3625000       6.984000 0.4961000       6.265000      0.5288000      0.7186000      0.7250000
  1 1 1     -18   -9   23 o    10.36000      0.3001000       10.31000 0.4270000       10.40000      0.4218000     -0.9757000E-01  0.6002000
  1 1 1     -18   -9   24 o    3.362000      0.7634000       2.843000 1.088000       3.880000       1.071000      -1.037000       1.527000
  1 1 1     -18   -9   25 o    10.06000      0.3134000       10.40000 0.4364000       9.715000      0.4500000      0.6825000      0.6269000
  1 1 1     -18   -9   26 o    5.064000      0.4936000       5.557000 0.6319000       4.570000      0.7584000      0.9866000      0.9872000
  1 1 1     -18   -9   27 o    3.846000       1.155000       3.846000 1.155000                  ?              ?              ?              ?
  1 1 1     -18   -9   28 o    3.058000      0.7109000       3.614000 1.027000       2.503000      0.9836000       1.111000       1.422000
  1 1 1     -18   -9   29 o    4.603000      0.8407000                  ?       ?   4.603000      0.8407000                  ?              ?
  1 1 1     -18   -9   30 o    5.705000      0.4814000       5.909000 0.6865000       5.502000      0.6749000      0.4071000      0.9627000
  1 1 1     -18   -9   31 o    2.441000      0.6562000       2.023000 0.8823000       2.858000      0.9716000     -0.8353000       1.312000
  1 1 1     -18   -9   32 o    7.411000      0.3839000       6.525000 0.5947000       8.296000      0.4855000      -1.771000      0.7677000
  1 1 1     -18   -9   33 o    2.004000      0.6050000       1.772000 0.8024000       2.236000      0.9056000     -0.4642000       1.210000
  1 1 1     -18   -8    1 o    2.069000      0.4745000       2.258000 0.6744000       1.879000      0.6676000      0.3793000      0.9490000
  1 1 1     -18   -8    2 o    5.435000      0.2478000       5.315000 0.3647000       5.555000      0.3355000     -0.2400000      0.4955000
  1 1 1     -18   -8    3 f    16.80000      0.2626000       17.08000 0.3769000       16.52000      0.3658000      0.5601000      0.5252000
  1 1 1     -18   -8    4 o    10.58000      0.2184000       10.38000 0.3070000       10.77000      0.3106000     -0.3975000      0.4367000
  1 1 1     -18   -8    5 o    1.716000      0.4507000       1.244000 0.5777000       2.189000      0.6919000     -0.9451000      0.9014000
  1 1 1     -18   -8    6 o    8.408000      0.2286000       8.217000 0.3247000       8.598000      0.3218000     -0.3809000      0.4572000
  1 1 1     -18   -8    7 o    5.581000      0.3943000       5.625000 0.5590000       5.537000      0.5563000      0.8753000E-01  0.7886000
  1 1 1     -18   -8    8 o    4.062000      0.5122000       3.915000 0.7589000       4.209000      0.6881000     -0.2947000       1.024000
  1 1 1     -18   -8    9 o    9.316000      0.2338000       9.887000 0.3324000       8.744000      0.3289000       1.143000      0.4676000
  1 1 1     -18   -8   10 o    11.37000      0.3378000       11.65000 0.4678000       11.09000      0.4875000      0.5592000      0.6757000
  1 1 1     -18   -8   11 o    12.13000      0.3440000       12.22000 0.4760000       12.04000      0.4967000      0.1822000      0.6880000
  1 1 1     -18   -8   12 o    5.514000      0.3168000       5.641000 0.4439000       5.386000      0.4521000      0.2551000      0.6335000
  1 1 1     -18   -8   13 o    8.521000      0.2566000       8.935000 0.3611000       8.108000      0.3648000      0.8269000      0.5133000
  1 1 1     -18   -8   14 o    10.86000      0.2512000       10.81000 0.3565000       10.90000      0.3540000     -0.8489000E-01  0.5024000
  1 1 1     -18   -8   15 o    9.599000      0.2640000       9.627000 0.3735000       9.570000      0.3732000      0.5726000E-01  0.5280000
  1 1 1     -18   -8   16 o    10.74000      0.2639000       10.49000 0.3734000       10.99000      0.3731000     -0.5021000      0.5279000
  1 1 1     -18   -8   17 o    3.125000      0.5664000       2.986000 0.8072000       3.264000      0.7949000     -0.2776000       1.133000
  1 1 1     -18   -8   18 o    10.33000      0.2741000       10.61000 0.3829000       10.05000      0.3923000      0.5621000      0.5482000
  1 1 1     -18   -8   19 o    3.678000      0.5334000       4.405000 0.6442000       2.951000      0.8502000       1.454000       1.067000
  1 1 1     -18   -8   20 o    10.16000      0.2798000       10.36000 0.3956000       9.962000      0.3958000      0.4032000      0.5596000
  1 1 1     -18   -8   21 o    3.815000      0.5533000       4.153000 0.7337000       3.476000      0.8285000      0.6776000       1.107000
  1 1 1     -18   -8   22 o    7.311000      0.3454000       7.212000 0.4894000       7.410000      0.4875000     -0.1985000      0.6907000
  1 1 1     -18   -8   23 o    9.313000      0.3154000       9.142000 0.4548000       9.484000      0.4373000     -0.3426000      0.6309000
  1 1 1     -18   -8   24 o    4.872000      0.7093000       5.692000 0.9223000       4.051000       1.078000       1.640000       1.419000
  1 1 1     -18   -8   25 o    5.649000      0.4466000       6.021000 0.5936000       5.276000      0.6675000      0.7445000      0.8932000
  1 1 1     -18   -8   26 o    2.624000      0.6217000       2.667000 0.8595000       2.581000      0.8985000      0.8583000E-01   1.243000
  1 1 1     -18   -8   27 o    4.150000      0.7724000       4.125000 1.134000       4.176000       1.049000     -0.5069000E-01   1.545000
  1 1 1     -18   -8   28 o    6.732000      0.4370000       6.609000 0.6338000       6.855000      0.6018000     -0.2463000      0.8740000
  1 1 1     -18   -8   29 o    5.879000      0.6509000                  ?       ?   5.879000      0.6509000                  ?              ?
  1 1 1     -18   -8   30 o    3.082000      0.7022000       3.092000 1.028000       3.071000      0.9566000      0.2181000E-01   1.404000
  1 1 1     -18   -8   31 o    1.913000      0.6024000       2.051000 0.8900000       1.776000      0.8121000      0.2744000       1.205000
  1 1 1     -18   -8   32 o    4.359000      0.5692000       4.549000 0.7953000       4.169000      0.8144000      0.3796000       1.138000
  1 1 1     -18   -8   33 o    2.659000      0.7228000       2.444000 0.9311000       2.873000       1.106000     -0.4286000       1.446000
  1 1 1     -18   -7    1 o    7.027000      0.2138000       6.971000 0.3053000       7.082000      0.2993000     -0.1111000      0.4276000
  1 1 1     -18   -7    2 o    13.44000      0.2301000       13.63000 0.3284000       13.26000      0.3224000      0.3740000      0.4603000
  1 1 1     -18   -7    3 o    2.174000      0.4608000       1.849000 0.6682000       2.499000      0.6347000     -0.6499000      0.9216000
  1 1 1     -18   -7    4 o    11.18000      0.2194000       10.78000 0.3079000       11.58000      0.3127000     -0.7979000      0.4389000
  1 1 1     -18   -7    5 o    6.561000      0.2396000       6.491000 0.3446000       6.630000      0.3331000     -0.1384000      0.4793000
  1 1 1     -18   -7    6 o    9.384000      0.2228000       9.193000 0.3177000       9.575000      0.3125000     -0.3821000      0.4457000
  1 1 1     -18   -7    7 f    3.737000      0.5292000       4.271000 0.6730000       3.202000      0.8169000       1.069000       1.058000
  1 1 1     -18   -7    8 o    2.214000      0.5934000       2.077000 0.8287000       2.352000      0.8496000     -0.2750000       1.187000
  1 1 1     -18   -7    9 o    6.950000      0.2561000       6.672000 0.3684000       7.228000      0.3559000     -0.5570000      0.5122000
  1 1 1     -18   -7   10 o    12.62000      0.3415000       12.62000 0.4755000       12.62000      0.4904000      0.4534000E-02  0.6831000
  1 1 1     -18   -7   11 o    6.666000      0.3693000       5.983000 0.5298000       7.348000      0.5146000      -1.365000      0.7386000
  1 1 1     -18   -7   12 o    10.92000      0.2452000       10.59000 0.3484000       11.25000      0.3451000     -0.6573000      0.4904000
  1 1 1     -18   -7   13 o    4.843000      0.3520000       4.742000 0.5225000       4.943000      0.4719000     -0.2017000      0.7040000
  1 1 1     -18   -7   14 o    14.62000      0.3247000       14.79000 0.5321000       14.46000      0.3724000      0.3226000      0.6495000
  1 1 1     -18   -7   15 o    6.385000      0.3110000       6.351000 0.4398000       6.420000      0.4399000     -0.6811000E-01  0.6220000
  1 1 1     -18   -7   16 o    14.69000      0.2724000       14.66000 0.3859000       14.72000      0.3847000     -0.5895000E-01  0.5449000
  1 1 1     -18   -7   17 o    2.827000      0.5828000       2.595000 0.8354000       3.059000      0.8129000     -0.4643000       1.166000
  1 1 1     -18   -7   18 o    9.227000      0.2744000       9.379000 0.3891000       9.075000      0.3871000      0.3043000      0.5488000
  1 1 1     -18   -7   19 o    9.282000      0.2791000       9.215000 0.3972000       9.348000      0.3922000     -0.1335000      0.5582000
  1 1 1     -18   -7   20 o    11.05000      0.2761000       11.45000 0.3870000       10.66000      0.3940000      0.7877000      0.5522000
  1 1 1     -18   -7   21 o    5.950000      0.3685000       6.043000 0.5109000       5.858000      0.5311000      0.1850000      0.7369000
  1 1 1     -18   -7   22 o    6.986000      0.3406000       6.608000 0.4972000       7.364000      0.4657000     -0.7559000      0.6813000
  1 1 1     -18   -7   23 o    7.164000      0.3438000       7.879000 0.4495000       6.449000      0.5204000       1.429000      0.6877000
  1 1 1     -18   -7   24 o    5.656000      0.6491000       4.423000 1.092000       6.890000      0.7025000      -2.467000       1.298000
  1 1 1     -18   -7   25 o    2.540000      0.6482000       2.975000 0.9582000       2.104000      0.8732000      0.8708000       1.296000
  1 1 1     -18   -7   26 o    3.643000      0.8059000       4.232000 1.129000       3.055000       1.150000       1.177000       1.612000
  1 1 1     -18   -7   27 o    3.810000      0.8405000       4.330000 1.142000       3.290000       1.234000       1.039000       1.681000
  1 1 1     -18   -7   28 o    6.395000      0.4431000       6.073000 0.6608000       6.717000      0.5903000     -0.6445000      0.8861000
  1 1 1     -18   -7   29 o    7.647000      0.3839000       8.126000 0.5360000       7.168000      0.5499000      0.9580000      0.7679000
  1 1 1     -18   -7   30 o    2.621000      0.6544000       3.347000 0.9961000       1.895000      0.8491000       1.452000       1.309000
  1 1 1     -18   -7   31 o    5.842000      0.4577000       6.106000 0.6258000       5.579000      0.6681000      0.5279000      0.9154000
  1 1 1     -18   -7   32 o    3.379000      0.6559000       3.994000 0.9029000       2.764000      0.9517000       1.230000       1.312000
  1 1 1     -18   -7   33 o    4.920000      0.5077000       4.301000 0.8171000       5.540000      0.6029000      -1.239000       1.015000
  1 1 1     -18   -6    1 o    9.044000      0.2042000       8.800000 0.2908000       9.288000      0.2869000     -0.4884000      0.4085000
  1 1 1     -18   -6    2 o    16.80000      0.2610000       17.02000 0.3731000       16.58000      0.3652000      0.4404000      0.5220000
  1 1 1     -18   -6    3 o    6.875000      0.2207000       6.879000 0.3098000       6.870000      0.3144000      0.8627000E-02  0.4414000
  1 1 1     -18   -6    4 o    4.428000      0.2960000       3.966000 0.4418000       4.890000      0.3941000     -0.9237000      0.5921000
  1 1 1     -18   -6    5 o    6.521000      0.2344000       6.734000 0.3271000       6.308000      0.3359000      0.4263000      0.4688000
  1 1 1     -18   -6    6 o    13.16000      0.2389000       12.96000 0.3370000       13.36000      0.3386000     -0.4041000      0.4778000
  1 1 1     -18   -6    7 o    5.771000      0.3732000       5.286000 0.5596000       6.256000      0.4940000     -0.9703000      0.7465000
  1 1 1     -18   -6    8 o    3.942000      0.5382000       3.470000 0.8521000       4.415000      0.6578000     -0.9453000       1.076000
  1 1 1     -18   -6    9 f    2.167000      0.5212000       2.336000 0.7396000       1.998000      0.7347000      0.3384000       1.042000
  1 1 1     -18   -6   10 o    12.72000      0.3415000       12.75000 0.4791000       12.69000      0.4868000      0.6711000E-01  0.6831000
  1 1 1     -18   -6   11 o    7.865000      0.3484000       7.685000 0.4842000       8.044000      0.5012000     -0.3588000      0.6969000
  1 1 1     -18   -6   12 o    9.427000      0.2453000       9.526000 0.3440000       9.328000      0.3496000      0.1984000      0.4905000
  1 1 1     -18   -6   13 o    10.51000      0.2461000       10.86000 0.3474000       10.16000      0.3485000      0.7028000      0.4921000
  1 1 1     -18   -6   14 o    17.23000      0.2884000       17.03000 0.4063000       17.43000      0.4093000     -0.4006000      0.5767000
  1 1 1     -18   -6   15 o    14.28000      0.2695000       14.18000 0.3820000       14.38000      0.3801000     -0.2031000      0.5389000
  1 1 1     -18   -6   16 o    15.37000      0.2757000       15.28000 0.3911000       15.46000      0.3886000     -0.1802000      0.5513000
  1 1 1     -18   -6   17 o    13.50000      0.2679000       13.15000 0.3776000       13.86000      0.3800000     -0.7091000      0.5357000
  1 1 1     -18   -6   18 o    3.373000      0.5143000       2.872000 0.8044000       3.875000      0.6409000      -1.003000       1.029000
  1 1 1     -18   -6   19 o    9.664000      0.2747000       9.556000 0.3837000       9.772000      0.3932000     -0.2156000      0.5494000
  1 1 1     -18   -6   20 o    4.951000      0.4067000       4.862000 0.5822000       5.039000      0.5680000     -0.1773000      0.8134000
  1 1 1     -18   -6   21 o    8.771000      0.2887000       8.899000 0.4044000       8.644000      0.4122000      0.2546000      0.5774000
  1 1 1     -18   -6   22 o    2.179000      0.6098000       2.158000 0.8590000       2.200000      0.8657000     -0.4208000E-01   1.220000
  1 1 1     -18   -6   23 o    8.028000      0.4541000       8.314000 0.6567000       7.743000      0.6273000      0.5706000      0.9081000
  1 1 1     -18   -6   24 o    2.363000      0.6786000       2.918000 1.068000       1.807000      0.8378000       1.111000       1.357000
  1 1 1     -18   -6   25 o    4.467000      0.5616000       4.343000 0.8042000       4.590000      0.7841000     -0.2469000       1.123000
  1 1 1     -18   -6   26 f    4.355000      0.7946000       3.967000 1.153000       4.743000       1.093000     -0.7758000       1.589000
  1 1 1     -18   -6   27 o    3.085000      0.7189000       1.799000 0.8046000       4.371000       1.192000      -2.572000       1.438000
  1 1 1     -18   -6   28 o    6.714000      0.4210000       6.325000 0.6154000       7.103000      0.5748000     -0.7784000      0.8421000
  1 1 1     -18   -6   29 o    3.898000      0.6128000       2.968000 0.9906000       4.827000      0.7217000      -1.859000       1.226000
  1 1 1     -18   -6   30 o    2.402000      0.6306000       1.867000 0.8513000       2.937000      0.9304000      -1.070000       1.261000
  1 1 1     -18   -6   31 o    6.295000      0.4203000       6.233000 0.6153000       6.357000      0.5727000     -0.1242000      0.8406000
  1 1 1     -18   -6   32 o    2.171000      0.6377000       2.055000 0.8951000       2.287000      0.9086000     -0.2327000       1.275000
  1 1 1     -18   -6   33 o    2.662000      0.6511000       3.225000 0.9614000       2.100000      0.8784000       1.125000       1.302000
  1 1 1     -18   -5    1 o    5.935000      0.2281000       5.443000 0.3352000       6.426000      0.3095000     -0.9824000      0.4562000
  1 1 1     -18   -5    2 f    5.286000      0.2474000       5.218000 0.3535000       5.354000      0.3462000     -0.1361000      0.4948000
  1 1 1     -18   -5    3 o    8.639000      0.2117000       8.794000 0.2999000       8.483000      0.2989000      0.3111000      0.4234000
  1 1 1     -18   -5    4 o    9.709000      0.2158000       10.10000 0.3056000       9.322000      0.3049000      0.7757000      0.4317000
  1 1 1     -18   -5    5 o    10.07000      0.2179000       10.21000 0.3072000       9.924000      0.3091000      0.2894000      0.4358000
  1 1 1     -18   -5    6 o    3.537000      0.3839000       3.826000 0.5163000       3.248000      0.5684000      0.5773000      0.7679000
  1 1 1     -18   -5    7 o    5.304000      0.3913000       5.561000 0.5438000       5.046000      0.5628000      0.5148000      0.7826000
  1 1 1     -18   -5    8 o    9.720000      0.2311000       9.815000 0.3251000       9.625000      0.3285000      0.1906000      0.4621000
  1 1 1     -18   -5    9 o    8.904000      0.2352000       9.021000 0.3344000       8.788000      0.3308000      0.2326000      0.4704000
  1 1 1     -18   -5   10 o    16.16000      0.3798000       16.19000 0.5329000       16.14000      0.5413000      0.4668000E-01  0.7597000
  1 1 1     -18   -5   11 o    5.391000      0.3013000       5.628000 0.4071000       5.153000      0.4443000      0.4751000      0.6026000
  1 1 1     -18   -5   12 o    12.16000      0.2462000       12.38000 0.3484000       11.93000      0.3479000      0.4509000      0.4923000
  1 1 1     -18   -5   13 o    6.159000      0.2884000       5.911000 0.4177000       6.406000      0.3979000     -0.4941000      0.5769000
  1 1 1     -18   -5   14 o    19.72000      0.3104000       19.80000 0.4419000       19.64000      0.4361000      0.1576000      0.6208000
  1 1 1     -18   -5   15 o    11.60000      0.2544000       11.24000 0.3590000       11.96000      0.3604000     -0.7275000      0.5087000
  1 1 1     -18   -5   16 o    6.004000      0.3204000       5.794000 0.4693000       6.214000      0.4364000     -0.4195000      0.6409000
  1 1 1     -18   -5   17 o    12.12000      0.2655000       11.75000 0.3745000       12.50000      0.3766000     -0.7536000      0.5311000
  1 1 1     -18   -5   18 o    5.296000      0.3696000       5.407000 0.5043000       5.186000      0.5405000      0.2214000      0.7392000
  1 1 1     -18   -5   19 o    11.54000      0.2657000       11.22000 0.3737000       11.86000      0.3778000     -0.6398000      0.5314000
  1 1 1     -18   -5   20 o    5.305000      0.3729000       5.200000 0.5402000       5.410000      0.5142000     -0.2091000      0.7458000
  1 1 1     -18   -5   21 f    8.219000      0.2994000       7.870000 0.4308000       8.568000      0.4158000     -0.6980000      0.5987000
  1 1 1     -18   -5   22 o    11.67000      0.2781000       11.13000 0.3934000       12.21000      0.3932000      -1.084000      0.5563000
  1 1 1     -18   -5   23 o    14.51000      0.4016000       13.90000 0.5720000       15.13000      0.5639000      -1.223000      0.8032000
  1 1 1     -18   -5   24 o    5.411000      0.4016000       6.003000 0.5268000       4.818000      0.6064000       1.185000      0.8033000
  1 1 1     -18   -5   25 o    3.668000      0.5865000       3.719000 0.8216000       3.618000      0.8371000      0.1013000       1.173000
  1 1 1     -18   -5   26 o    3.495000      0.7828000       2.822000 1.081000       4.167000       1.133000      -1.345000       1.566000
  1 1 1     -18   -5   27 o    3.977000      0.6225000       4.494000 0.8009000       3.461000      0.9532000       1.033000       1.245000
  1 1 1     -18   -5   28 o    4.295000      0.8284000       4.295000 0.8284000                  ?              ?              ?              ?
  1 1 1     -18   -5   29 o    2.383000      0.6589000       2.570000 0.9536000       2.197000      0.9094000      0.3734000       1.318000
  1 1 1     -18   -5   30 o    4.713000      0.6604000       4.846000 1.099000       4.580000      0.7320000      0.2663000       1.321000
  1 1 1     -18   -5   31 o    5.243000      0.4842000       5.023000 0.7361000       5.462000      0.6292000     -0.4388000      0.9684000
  1 1 1     -18   -5   32 o    3.093000      0.6699000       3.472000 0.9491000       2.713000      0.9457000      0.7592000       1.340000
  1 1 1     -18   -5   33 o    2.229000      0.6329000       2.047000 0.8858000       2.411000      0.9042000     -0.3637000       1.266000
  1 1 1     -18   -4    1 o    5.564000      0.2374000       5.773000 0.3356000       5.355000      0.3360000      0.4178000      0.4749000
  1 1 1     -18   -4    2 o    7.417000      0.2130000       7.063000 0.3078000       7.770000      0.2944000     -0.7068000      0.4260000
  1 1 1     -18   -4    3 o    8.096000      0.2122000       8.254000 0.3045000       7.937000      0.2957000      0.3171000      0.4245000
  1 1 1     -18   -4    4 o    3.928000      0.3181000       3.724000 0.4801000       4.132000      0.4176000     -0.4081000      0.6363000
  1 1 1     -18   -4    5 o    7.901000      0.2234000       8.013000 0.3170000       7.789000      0.3149000      0.2244000      0.4468000
  1 1 1     -18   -4    6 o    10.01000      0.2245000       10.03000 0.3213000       9.991000      0.3136000      0.3538000E-01  0.4490000
  1 1 1     -18   -4    7 o    5.007000      0.3912000       5.149000 0.5721000       4.866000      0.5336000      0.2833000      0.7823000
  1 1 1     -18   -4    8 o    5.235000      0.2901000       5.191000 0.4163000       5.280000      0.4042000     -0.8851000E-01  0.5802000
  1 1 1     -18   -4    9 f    6.750000      0.2607000       6.769000 0.3646000       6.731000      0.3726000      0.3834000E-01  0.5213000
  1 1 1     -18   -4   10 o    6.870000      0.3642000       7.183000 0.4976000       6.557000      0.5318000      0.6256000      0.7283000
  1 1 1     -18   -4   11 o    2.173000      0.5237000       1.935000 0.7379000       2.411000      0.7434000     -0.4757000       1.047000
  1 1 1     -18   -4   12 o    5.929000      0.2855000       5.447000 0.4204000       6.412000      0.3865000     -0.9648000      0.5711000
  1 1 1     -18   -4   13 o    4.582000      0.3606000       4.269000 0.5479000       4.896000      0.4691000     -0.6275000      0.7213000
  1 1 1     -18   -4   14 o    11.81000      0.2491000       11.82000 0.3561000       11.81000      0.3485000      0.1626000E-01  0.4983000
  1 1 1     -18   -4   15 o    12.85000      0.2562000       12.65000 0.3624000       13.04000      0.3623000     -0.3921000      0.5124000
  1 1 1     -18   -4   16 o    13.82000      0.2627000       13.86000 0.3746000       13.79000      0.3685000      0.6624000E-01  0.5255000
  1 1 1     -18   -4   17 o    4.529000      0.4035000       4.474000 0.5790000       4.585000      0.5622000     -0.1111000      0.8070000
  1 1 1     -18   -4   18 f    4.308000      0.4324000       3.435000 0.7055000       5.181000      0.5002000      -1.746000      0.8648000
  1 1 1     -18   -4   19 o    13.44000      0.2711000       13.08000 0.3802000       13.79000      0.3865000     -0.7106000      0.5421000
  1 1 1     -18   -4   20 o    5.085000      0.3906000       5.144000 0.5543000       5.026000      0.5504000      0.1181000      0.7812000
  1 1 1     -18   -4   21 o    2.284000      0.5898000       2.485000 0.8501000       2.082000      0.8177000      0.4038000       1.180000
  1 1 1     -18   -4   22 o    9.320000      0.2883000       9.231000 0.4122000       9.409000      0.4033000     -0.1785000      0.5766000
  1 1 1     -18   -4   23 o    5.297000      0.5609000       5.439000 0.8019000       5.156000      0.7843000      0.2832000       1.122000
  1 1 1     -18   -4   24 o    7.027000      0.3461000       6.674000 0.5105000       7.380000      0.4674000     -0.7062000      0.6922000
  1 1 1     -18   -4   25 o    6.388000      0.3921000       6.565000 0.5525000       6.211000      0.5565000      0.3537000      0.7842000
  1 1 1     -18   -4   26 o    6.374000      0.6026000       6.058000 0.8952000       6.691000      0.8069000     -0.6333000       1.205000
  1 1 1     -18   -4   27 o    8.628000      0.3394000       8.575000 0.4801000       8.681000      0.4799000     -0.1068000      0.6788000
  1 1 1     -18   -4   28 o    2.582000      0.9548000       2.582000 0.9548000                  ?              ?              ?              ?
  1 1 1     -18   -4   29 o    2.716000      0.6723000       2.726000 0.9449000       2.705000      0.9568000      0.2056000E-01   1.345000
  1 1 1     -18   -4   30 f    4.066000      0.8556000                  ?       ?   4.066000      0.8556000                  ?              ?
  1 1 1     -18   -4   31 o    3.135000      0.6554000       2.742000 0.9666000       3.529000      0.8855000     -0.7869000       1.311000
  1 1 1     -18   -4   32 o    2.791000      0.6100000       1.986000 0.8609000       3.597000      0.8643000      -1.610000       1.220000
  1 1 1     -18   -4   33 o    4.017000      0.5797000       5.008000 0.6618000       3.027000      0.9520000       1.981000       1.159000
  1 1 1     -18   -3    1 o    10.84000      0.2973000                  ?       ?   10.84000      0.2973000                  ?              ?
  1 1 1     -18   -3    2 o    6.536000      0.2209000       6.242000 0.3174000       6.829000      0.3073000     -0.5873000      0.4418000
  1 1 1     -18   -3    3 o    5.519000      0.2447000       5.411000 0.3493000       5.628000      0.3427000     -0.2169000      0.4893000
  1 1 1     -18   -3    4 o    5.500000      0.2528000       5.403000 0.3602000       5.597000      0.3547000     -0.1938000      0.5056000
  1 1 1     -18   -3    5 o    4.808000      0.2889000       5.022000 0.3931000       4.595000      0.4233000      0.4276000      0.5777000
  1 1 1     -18   -3    6 o    8.867000      0.3059000       8.707000 0.4406000       9.028000      0.4243000     -0.3211000      0.6117000
  1 1 1     -18   -3    7 f    6.840000      0.3303000       6.834000 0.4781000       6.846000      0.4558000     -0.1176000E-01  0.6605000
  1 1 1     -18   -3    8 o    3.639000      0.3795000       3.517000 0.5591000       3.762000      0.5132000     -0.2451000      0.7589000
  1 1 1     -18   -3    9 o    6.142000      0.4009000       5.163000 0.5986000       7.121000      0.5336000      -1.958000      0.8019000
  1 1 1     -18   -3   10 o    3.002000      0.5713000       2.054000 0.8265000       3.950000      0.7890000      -1.896000       1.143000
  1 1 1     -18   -3   11 o    2.901000      0.4687000       3.765000 0.5733000       2.037000      0.7417000       1.727000      0.9375000
  1 1 1     -18   -3   12 o    4.402000      0.3583000       4.220000 0.5225000       4.585000      0.4906000     -0.3650000      0.7167000
  1 1 1     -18   -3   13 o    8.091000      0.2481000       8.100000 0.3485000       8.082000      0.3532000      0.1846000E-01  0.4962000
  1 1 1     -18   -3   14 f    5.426000      0.3208000       5.368000 0.4577000       5.484000      0.4498000     -0.1163000      0.6417000
  1 1 1     -18   -3   15 o    10.87000      0.2489000       11.06000 0.3530000       10.68000      0.3511000      0.3833000      0.4979000
  1 1 1     -18   -3   16 o    5.334000      0.3488000       5.587000 0.4680000       5.080000      0.5175000      0.5070000      0.6977000
  1 1 1     -18   -3   17 o    12.69000      0.2598000       13.28000 0.3715000       12.10000      0.3634000       1.182000      0.5197000
  1 1 1     -18   -3   18 o    7.253000      0.2873000       6.857000 0.4212000       7.648000      0.3909000     -0.7907000      0.5747000
  1 1 1     -18   -3   19 o    10.89000      0.2639000       10.67000 0.3747000       11.11000      0.3717000     -0.4466000      0.5278000
  1 1 1     -18   -3   20 o    8.538000      0.2881000       8.499000 0.4036000       8.577000      0.4111000     -0.7847000E-01  0.5761000
  1 1 1     -18   -3   21 o    7.626000      0.3073000       7.428000 0.4411000       7.824000      0.4281000     -0.3952000      0.6147000
  1 1 1     -18   -3   22 o    3.655000      0.5054000       3.087000 0.8095000       4.224000      0.6052000      -1.137000       1.011000
  1 1 1     -18   -3   23 o    5.057000      0.6193000       5.238000 0.8795000       4.876000      0.8721000      0.3621000       1.239000
  1 1 1     -18   -3   24 o    2.782000      0.6327000       2.539000 0.9030000       3.025000      0.8864000     -0.4860000       1.265000
  1 1 1     -18   -3   25 o    8.277000      0.5030000       8.191000 0.7159000       8.362000      0.7068000     -0.1705000       1.006000
  1 1 1     -18   -3   26 o    7.162000      0.5335000       6.731000 0.7645000       7.594000      0.7444000     -0.8629000       1.067000
  1 1 1     -18   -3   27 o    9.187000      0.3199000       9.225000 0.4536000       9.148000      0.4512000      0.7722000E-01  0.6398000
  1 1 1     -18   -3   28 o    2.811000      0.6652000       2.819000 0.9555000       2.802000      0.9257000      0.1737000E-01   1.330000
  1 1 1     -18   -3   29 o    3.092000      0.6503000       3.797000 0.8945000       2.387000      0.9443000       1.410000       1.301000
  1 1 1     -18   -3   30 o    4.947000      0.5850000       4.366000 0.9667000       5.527000      0.6591000      -1.160000       1.170000
  1 1 1     -18   -3   31 o    2.605000      0.6651000       2.820000 0.9695000       2.389000      0.9108000      0.4308000       1.330000
  1 1 1     -18   -3   32 o    2.540000      0.6641000       2.383000 0.9317000       2.697000      0.9466000     -0.3140000       1.328000
  1 1 1     -18   -2    1 o    11.11000      0.3057000                  ?       ?   11.11000      0.3057000                  ?              ?
  1 1 1     -18   -2    2 o    2.043000      0.4520000       1.844000 0.6541000       2.242000      0.6239000     -0.3985000      0.9040000
  1 1 1     -18   -2    3 o    2.328000      0.4659000       2.272000 0.6657000       2.385000      0.6522000     -0.1122000      0.9319000
  1 1 1     -18   -2    4 o    1.930000      0.4720000       2.018000 0.6676000       1.843000      0.6675000      0.1748000      0.9441000
  1 1 1     -18   -2    5 o    4.741000      0.2705000       4.858000 0.3777000       4.625000      0.3875000      0.2333000      0.5411000
  1 1 1     -18   -2    6 o    4.820000      0.3894000       5.155000 0.5296000       4.486000      0.5710000      0.6685000      0.7788000
  1 1 1     -18   -2    7 o    10.82000      0.2281000       10.77000 0.3220000       10.87000      0.3231000     -0.9639000E-01  0.4561000
  1 1 1     -18   -2    8 o    2.624000      0.4468000       3.011000 0.5903000       2.237000      0.6708000      0.7738000      0.8935000
  1 1 1     -18   -2    9 o    11.56000      0.3355000       11.52000 0.4666000       11.60000      0.4823000     -0.8151000E-01  0.6711000
  1 1 1     -18   -2   10 o    8.704000      0.2410000       8.866000 0.3396000       8.543000      0.3421000      0.3238000      0.4821000
  1 1 1     -18   -2   11 f    13.92000      0.2520000       13.84000 0.3568000       14.00000      0.3560000     -0.1641000      0.5041000
  1 1 1     -18   -2   12 o    7.006000      0.2650000       7.125000 0.3712000       6.886000      0.3782000      0.2389000      0.5299000
  1 1 1     -18   -2   13 o    6.983000      0.2637000       6.969000 0.3711000       6.998000      0.3747000     -0.2995000E-01  0.5274000
  1 1 1     -18   -2   14 o    8.184000      0.2625000       7.700000 0.3764000       8.668000      0.3659000     -0.9677000      0.5249000
  1 1 1     -18   -2   15 o    2.338000      0.5302000       2.083000 0.7454000       2.593000      0.7541000     -0.5105000       1.060000
  1 1 1     -18   -2   16 o    7.834000      0.2754000       7.826000 0.3855000       7.842000      0.3935000     -0.1565000E-01  0.5508000
  1 1 1     -18   -2   17 o    11.16000      0.2544000       11.21000 0.3565000       11.11000      0.3629000      0.1031000      0.5087000
  1 1 1     -18   -2   18 o    11.93000      0.2626000       11.90000 0.3698000       11.96000      0.3729000     -0.5702000E-01  0.5251000
  1 1 1     -18   -2   19 o    7.556000      0.2780000       7.352000 0.3999000       7.759000      0.3864000     -0.4072000      0.5561000
  1 1 1     -18   -2   20 o    13.45000      0.2714000       13.82000 0.3821000       13.08000      0.3856000      0.7401000      0.5428000
  1 1 1     -18   -2   21 o    4.804000      0.4287000       4.510000 0.6471000       5.098000      0.5624000     -0.5884000      0.8574000
  1 1 1     -18   -2   22 o    7.893000      0.4306000       6.863000 0.6580000       8.924000      0.5555000      -2.061000      0.8611000
  1 1 1     -18   -2   23 o    13.52000      0.2910000       13.80000 0.4115000       13.24000      0.4116000      0.5571000      0.5820000
  1 1 1     -18   -2   24 o    2.698000      0.6221000       2.840000 0.8767000       2.555000      0.8829000      0.2848000       1.244000
  1 1 1     -18   -2   25 o    3.447000      0.8126000       3.817000 1.146000       3.077000       1.152000      0.7406000       1.625000
  1 1 1     -18   -2   26 o    2.482000      0.6545000       2.496000 0.9222000       2.468000      0.9290000      0.2760000E-01   1.309000
  1 1 1     -18   -2   27 o    2.643000      0.6553000       2.733000 0.9286000       2.553000      0.9250000      0.1808000       1.311000
  1 1 1     -18   -2   28 o    4.548000      0.5576000       4.645000 0.7589000       4.452000      0.8170000      0.1928000       1.115000
  1 1 1     -18   -2   29 o    7.040000      0.3876000       7.244000 0.5517000       6.837000      0.5444000      0.4072000      0.7751000
  1 1 1     -18   -2   30 o    7.212000      0.3699000       7.139000 0.5324000       7.285000      0.5138000     -0.1467000      0.7399000
  1 1 1     -18   -2   31 o    4.640000      0.5470000       4.043000 0.8698000       5.237000      0.6634000      -1.194000       1.094000
  1 1 1     -18   -2   32 o    4.394000      0.5460000       4.498000 0.7837000       4.291000      0.7605000      0.2076000       1.092000
  1 1 1     -18   -1    1 f    2.700000      0.4120000       3.027000 0.5277000       2.373000      0.6327000      0.6537000      0.8239000
  1 1 1     -18   -1    2 o    1.587000      0.4286000       1.280000 0.5692000       1.894000      0.6409000     -0.6147000      0.8572000
  1 1 1     -18   -1    3 o    3.836000      0.3294000       4.326000 0.4107000       3.346000      0.5151000      0.9795000      0.6588000
  1 1 1     -18   -1    4 o    4.331000      0.2956000       4.305000 0.4132000       4.356000      0.4230000     -0.5039000E-01  0.5913000
  1 1 1     -18   -1    5 o    11.88000      0.3128000       12.41000 0.4569000       11.35000      0.4274000       1.055000      0.6257000
  1 1 1     -18   -1    6 o    5.319000      0.3670000       5.112000 0.5733000       5.525000      0.4583000     -0.4135000      0.7339000
  1 1 1     -18   -1    7 o    5.904000      0.2562000       5.841000 0.3636000       5.967000      0.3611000     -0.1263000      0.5124000
  1 1 1     -18   -1    8 o    9.504000      0.3298000       9.903000 0.4559000       9.104000      0.4767000      0.7991000      0.6597000
  1 1 1     -18   -1    9 o    10.58000      0.3358000       10.46000 0.4647000       10.70000      0.4847000     -0.2400000      0.6715000
  1 1 1     -18   -1   10 o    7.206000      0.2644000       6.700000 0.3886000       7.713000      0.3586000      -1.014000      0.5288000
  1 1 1     -18   -1   11 o    9.749000      0.2335000       9.601000 0.3336000       9.897000      0.3267000     -0.2953000      0.4669000
  1 1 1     -18   -1   12 o    6.670000      0.2590000       6.658000 0.3770000       6.681000      0.3552000     -0.2261000E-01  0.5180000
  1 1 1     -18   -1   13 o    7.642000      0.2528000       7.601000 0.3576000       7.683000      0.3576000     -0.8259000E-01  0.5057000
  1 1 1     -18   -1   14 o    6.356000      0.2931000       6.162000 0.4236000       6.550000      0.4052000     -0.3878000      0.5862000
  1 1 1     -18   -1   15 o    8.205000      0.2584000       8.550000 0.3587000       7.860000      0.3722000      0.6901000      0.5169000
  1 1 1     -18   -1   16 o    10.25000      0.2571000       10.06000 0.3599000       10.44000      0.3671000     -0.3727000      0.5141000
  1 1 1     -18   -1   17 f    2.172000      0.5698000       2.181000 0.8039000       2.164000      0.8077000      0.1633000E-01   1.140000
  1 1 1     -18   -1   18 o    7.184000      0.2905000       7.206000 0.4114000       7.162000      0.4102000      0.4426000E-01  0.5810000
  1 1 1     -18   -1   19 o    9.001000      0.2755000       9.196000 0.3851000       8.806000      0.3940000      0.3900000      0.5510000
  1 1 1     -18   -1   20 o    10.19000      0.2710000       9.503000 0.3869000       10.88000      0.3797000      -1.375000      0.5421000
  1 1 1     -18   -1   21 o    2.971000      0.5412000       2.384000 0.8148000       3.557000      0.7126000      -1.173000       1.082000
  1 1 1     -18   -1   22 o    4.297000      0.6024000       4.634000 0.8692000       3.959000      0.8345000      0.6751000       1.205000
  1 1 1     -18   -1   23 o    9.141000      0.2844000       9.099000 0.4042000       9.183000      0.4001000     -0.8444000E-01  0.5688000
  1 1 1     -18   -1   24 o    2.926000      0.7845000       2.899000 1.118000       2.954000       1.101000     -0.5509000E-01   1.569000
  1 1 1     -18   -1   25 o    3.346000      0.8160000       3.543000 1.144000       3.150000       1.164000      0.3933000       1.632000
  1 1 1     -18   -1   26 o    8.578000      0.3249000       8.718000 0.4541000       8.438000      0.4647000      0.2799000      0.6497000
  1 1 1     -18   -1   27 o    3.396000      0.6540000       3.310000 0.9682000       3.481000      0.8795000     -0.1705000       1.308000
  1 1 1     -18   -1   28 o    2.731000      0.6658000       3.256000 0.9624000       2.206000      0.9202000       1.050000       1.332000
  1 1 1     -18   -1   29 o    2.597000      0.6681000       2.862000 0.9665000       2.332000      0.9225000      0.5303000       1.336000
  1 1 1     -18   -1   30 f    3.843000      0.6015000       3.747000 0.9307000       3.939000      0.7623000     -0.1923000       1.203000
  1 1 1     -18   -1   31 o    6.281000      0.6246000       7.405000 0.5328000       5.157000       1.130000       2.248000       1.249000
  1 1 1     -18   -1   32 o    2.872000      0.6291000       3.571000 0.9025000       2.172000      0.8766000       1.398000       1.258000
  1 1 1     -18    0    1 o    10.14000      0.2080000       10.10000 0.2931000       10.18000      0.2952000     -0.7936000E-01  0.4160000
  1 1 1     -18    0    2 o    10.06000      0.2119000       10.08000 0.3015000       10.04000      0.2978000      0.4463000E-01  0.4238000
  1 1 1     -18    0    3 o    7.583000      0.2155000       7.307000 0.3106000       7.858000      0.2990000     -0.5508000      0.4311000
  1 1 1     -18    0    4 o    15.69000      0.3549000       16.16000 0.5167000       15.22000      0.4868000      0.9422000      0.7099000
  1 1 1     -18    0    5 o    15.41000      0.3539000       15.55000 0.5083000       15.27000      0.4926000      0.2883000      0.7078000
  1 1 1     -18    0    6 o    4.729000      0.3016000       5.304000 0.3805000       4.154000      0.4681000       1.150000      0.6032000
  1 1 1     -18    0    7 o    8.319000      0.2308000       8.079000 0.3292000       8.560000      0.3235000     -0.4804000      0.4616000
  1 1 1     -18    0    8 o    8.800000      0.3332000       9.198000 0.4600000       8.402000      0.4821000      0.7955000      0.6663000
  1 1 1     -18    0    9 o    8.288000      0.2397000       8.394000 0.3408000       8.181000      0.3370000      0.2132000      0.4793000
  1 1 1     -18    0   10 o    3.098000      0.4440000       2.739000 0.6971000       3.457000      0.5500000     -0.7180000      0.8879000
  1 1 1     -18    0   11 o    5.619000      0.2815000       5.631000 0.3946000       5.607000      0.4016000      0.2380000E-01  0.5630000
  1 1 1     -18    0   12 o    3.122000      0.5022000       2.986000 0.7294000       3.259000      0.6906000     -0.2728000       1.004000
  1 1 1     -18    0   13 o    5.485000      0.3402000       4.934000 0.4504000       6.037000      0.5101000      -1.103000      0.6805000
  1 1 1     -18    0   14 o    7.757000      0.2500000       7.560000 0.3601000       7.954000      0.3470000     -0.3934000      0.5000000
  1 1 1     -18    0   15 o    8.971000      0.2567000       8.501000 0.3696000       9.441000      0.3564000     -0.9395000      0.5134000
  1 1 1     -18    0   16 o    7.993000      0.2737000       7.722000 0.3940000       8.263000      0.3799000     -0.5403000      0.5473000
  1 1 1     -18    0   17 f    9.494000      0.2602000       9.230000 0.3716000       9.759000      0.3644000     -0.5290000      0.5204000
  1 1 1     -18    0   18 o    6.435000      0.3146000       6.431000 0.4632000       6.439000      0.4257000     -0.8307000E-02  0.6291000
  1 1 1     -18    0   19 o    2.262000      0.5130000       3.064000 0.7802000       1.461000      0.6663000       1.603000       1.026000
  1 1 1     -18    0   20 o    5.976000      0.3196000       5.750000 0.4674000       6.202000      0.4362000     -0.4525000      0.6393000
  1 1 1     -18    0   21 o    6.534000      0.4220000       6.119000 0.6494000       6.948000      0.5392000     -0.8296000      0.8441000
  1 1 1     -18    0   22 o    15.31000      0.2945000       14.99000 0.4118000       15.63000      0.4212000     -0.6433000      0.5890000
  1 1 1     -18    0   23 o    5.213000      0.4328000       5.128000 0.6151000       5.297000      0.6091000     -0.1693000      0.8657000
  1 1 1     -18    0   24 o    4.844000      0.6380000       5.008000 0.8334000       4.679000      0.9662000      0.3291000       1.276000
  1 1 1     -18    0   25 o    6.546000      0.3757000       6.371000 0.5504000       6.720000      0.5116000     -0.3487000      0.7514000
  1 1 1     -18    0   26 o    5.673000      0.4350000       5.754000 0.5882000       5.592000      0.6411000      0.1615000      0.8700000
  1 1 1     -18    0   27 o    2.211000      0.6117000       2.057000 0.8351000       2.364000      0.8939000     -0.3061000       1.223000
  1 1 1     -18    0   28 o    3.004000      0.5974000       3.819000 0.8266000       2.189000      0.8627000       1.630000       1.195000
  1 1 1     -18    0   29 o    3.011000      0.9762000       3.011000 0.9762000                  ?              ?              ?              ?
  1 1 1     -18    0   30 o    4.398000      0.5550000       4.152000 0.8533000       4.644000      0.7098000     -0.4924000       1.110000
  1 1 1     -18    0   31 o    3.929000      0.6505000       3.531000 1.058000       4.327000      0.7574000     -0.7957000       1.301000
  1 1 1     -18    0   32 o    3.689000      0.5937000       3.138000 0.9295000       4.239000      0.7390000      -1.101000       1.187000
  1 1 1     -18    1    1 f    9.477000      0.2612000       9.209000 0.2902000       9.744000      0.4344000     -0.5345000      0.5224000
  1 1 1     -18    1    2 o    4.593000      0.3783000                  ?       ?   4.593000      0.3783000                  ?              ?
  1 1 1     -18    1    3 o    3.268000      0.3663000       3.459000 0.4855000       3.076000      0.5487000      0.3822000      0.7327000
  1 1 1     -18    1    4 o    7.912000      0.3013000       7.634000 0.4319000       8.190000      0.4203000     -0.5561000      0.6026000
  1 1 1     -18    1    5 o    2.110000      0.4609000       1.816000 0.6518000       2.405000      0.6519000     -0.5887000      0.9218000
  1 1 1     -18    1    6 o    2.942000      0.4384000       3.060000 0.5948000       2.825000      0.6443000      0.2346000      0.8769000
  1 1 1     -18    1    7 o    4.533000      0.4568000       4.406000 0.6396000       4.659000      0.6524000     -0.2529000      0.9137000
  1 1 1     -18    1    8 o    8.298000      0.2296000       8.527000 0.3257000       8.069000      0.3237000      0.4576000      0.4592000
  1 1 1     -18    1    9 o    10.55000      0.2309000       10.67000 0.3271000       10.44000      0.3259000      0.2309000      0.4617000
  1 1 1     -18    1   10 o    7.490000      0.2400000       7.335000 0.3399000       7.646000      0.3389000     -0.3113000      0.4800000
  1 1 1     -18    1   11 o    4.678000      0.3089000       4.714000 0.4476000       4.642000      0.4258000      0.7121000E-01  0.6178000
  1 1 1     -18    1   12 o    5.835000      0.2929000       5.659000 0.4233000       6.011000      0.4048000     -0.3522000      0.5857000
  1 1 1     -18    1   13 o    3.297000      0.4580000       2.910000 0.7091000       3.683000      0.5798000     -0.7733000      0.9160000
  1 1 1     -18    1   14 o    10.71000      0.2422000       10.62000 0.3437000       10.80000      0.3415000     -0.1815000      0.4845000
  1 1 1     -18    1   15 f    10.63000      0.2500000       10.41000 0.3546000       10.85000      0.3525000     -0.4436000      0.5000000
  1 1 1     -18    1   16 o    2.715000      0.5114000       2.913000 0.7111000       2.516000      0.7353000      0.3969000       1.023000
  1 1 1     -18    1   17 f    12.93000      0.2581000       13.27000 0.3680000       12.60000      0.3620000      0.6707000      0.5162000
  1 1 1     -18    1   18 o    13.11000      0.2665000       12.72000 0.3746000       13.49000      0.3793000     -0.7733000      0.5331000
  1 1 1     -18    1   19 o    6.889000      0.3015000       6.851000 0.4256000       6.927000      0.4270000     -0.7593000E-01  0.6029000
  1 1 1     -18    1   20 o    6.937000      0.4418000       6.592000 0.6705000       7.283000      0.5755000     -0.6911000      0.8836000
  1 1 1     -18    1   21 o    8.827000      0.4109000       8.364000 0.6177000       9.291000      0.5421000     -0.9265000      0.8219000
  1 1 1     -18    1   22 o    17.80000      0.3090000       17.80000 0.4357000       17.80000      0.4384000      0.6439000E-02  0.6181000
  1 1 1     -18    1   23 o    5.740000      0.6311000       5.478000 0.9042000       6.003000      0.8807000     -0.5258000       1.262000
  1 1 1     -18    1   24 o    11.43000      0.3565000       11.44000 0.5912000       11.43000      0.3984000      0.9884000E-02  0.7129000
  1 1 1     -18    1   25 o    8.109000      0.3237000       8.469000 0.4447000       7.749000      0.4706000      0.7197000      0.6475000
  1 1 1     -18    1   26 o    2.797000      0.6595000       3.067000 0.9300000       2.526000      0.9354000      0.5403000       1.319000
  1 1 1     -18    1   27 o    4.955000      0.5238000       3.705000 0.8764000       6.206000      0.5740000      -2.501000       1.048000
  1 1 1     -18    1   28 o    2.047000      0.5850000       1.520000 0.7250000       2.574000      0.9183000      -1.054000       1.170000
  1 1 1     -18    1   29 o    1.961000      0.8225000       1.961000 0.8225000                  ?              ?              ?              ?
  1 1 1     -18    1   30 o    2.070000      0.6008000       2.310000 0.8999000       1.830000      0.7962000      0.4801000       1.202000
  1 1 1     -18    1   31 o    2.332000      0.9129000                  ?       ?   2.332000      0.9129000                  ?              ?
  1 1 1     -18    2    1 o    4.636000      0.2955000       4.892000 0.3661000       4.380000      0.4640000      0.5118000      0.5911000
  1 1 1     -18    2    2 o    7.335000      0.3477000                  ?       ?   7.335000      0.3477000                  ?              ?
  1 1 1     -18    2    3 o    4.143000      0.4629000       3.734000 0.5949000       4.552000      0.7092000     -0.8184000      0.9257000
  1 1 1     -18    2    4 o    1.806000      0.4812000       1.932000 0.6705000       1.680000      0.6905000      0.2523000      0.9624000
  1 1 1     -18    2    5 f    6.066000      0.2625000       6.152000 0.3479000       5.980000      0.3931000      0.1721000      0.5250000
  1 1 1     -18    2    6 o    2.184000      0.5557000       1.593000 0.7172000       2.774000      0.8489000      -1.181000       1.111000
  1 1 1     -18    2    7 o    9.778000      0.2273000       9.674000 0.3264000       9.883000      0.3164000     -0.2087000      0.4546000
  1 1 1     -18    2    8 o    9.801000      0.2295000       9.998000 0.3258000       9.605000      0.3233000      0.3927000      0.4590000
  1 1 1     -18    2    9 o    9.594000      0.2297000       9.560000 0.3290000       9.628000      0.3207000     -0.6729000E-01  0.4594000
  1 1 1     -18    2   10 o    1.862000      0.4894000       1.845000 0.6936000       1.880000      0.6905000     -0.3532000E-01  0.9787000
  1 1 1     -18    2   11 o    7.739000      0.2444000       7.678000 0.3530000       7.799000      0.3381000     -0.1212000      0.4888000
  1 1 1     -18    2   12 o    4.093000      0.3545000       4.107000 0.5023000       4.079000      0.5002000      0.2847000E-01  0.7089000
  1 1 1     -18    2   13 o    6.453000      0.3058000       6.041000 0.3823000       6.865000      0.4773000     -0.8236000      0.6115000
  1 1 1     -18    2   14 o    7.101000      0.2604000       7.203000 0.3618000       6.999000      0.3746000      0.2038000      0.5208000
  1 1 1     -18    2   15 o    5.205000      0.3264000       4.923000 0.4888000       5.486000      0.4327000     -0.5633000      0.6529000
  1 1 1     -18    2   16 o    10.66000      0.2513000       10.15000 0.3579000       11.16000      0.3529000      -1.011000      0.5026000
  1 1 1     -18    2   17 o    7.172000      0.2873000       6.986000 0.4167000       7.358000      0.3956000     -0.3718000      0.5746000
  1 1 1     -18    2   18 o    7.114000      0.2919000       6.830000 0.4262000       7.398000      0.3989000     -0.5681000      0.5838000
  1 1 1     -18    2   19 o    8.577000      0.2733000       8.575000 0.3891000       8.579000      0.3839000     -0.4158000E-02  0.5466000
  1 1 1     -18    2   20 o    2.243000      0.6134000       2.458000 0.8954000       2.028000      0.8385000      0.4307000       1.227000
  1 1 1     -18    2   21 o    6.597000      0.3069000       6.691000 0.4287000       6.504000      0.4393000      0.1878000      0.6138000
  1 1 1     -18    2   22 o    9.182000      0.2596000       9.466000 0.3681000       8.897000      0.3662000      0.5687000      0.5193000
  1 1 1     -18    2   23 o    2.515000      0.7306000       2.172000 0.9589000       2.857000       1.103000     -0.6852000       1.461000
  1 1 1     -18    2   24 o    2.469000      0.6305000       2.225000 0.8824000       2.713000      0.9007000     -0.4881000       1.261000
  1 1 1     -18    2   25 o    1.888000      0.5664000       1.387000 0.6769000       2.390000      0.9082000      -1.003000       1.133000
  1 1 1     -18    2   26 o    4.296000      0.5532000       2.796000 0.9458000       5.796000      0.5740000      -3.000000       1.106000
  1 1 1     -18    2   27 o    5.402000      0.4374000       4.754000 0.6901000       6.050000      0.5376000      -1.296000      0.8748000
  1 1 1     -18    2   28 o    3.078000      0.6380000       3.192000 0.8887000       2.964000      0.9158000      0.2282000       1.276000
  1 1 1     -18    2   29 o    1.892000      0.5751000       2.163000 0.8692000       1.620000      0.7532000      0.5434000       1.150000
  1 1 1     -18    2   30 o    1.988000      0.5870000       1.691000 0.7795000       2.284000      0.8777000     -0.5930000       1.174000
  1 1 1     -18    2   31 o    2.510000      0.5894000       2.990000 0.8273000       2.031000      0.8397000      0.9597000       1.179000
  1 1 1     -18    3    1 o    2.064000      0.4804000       1.928000 0.6410000       2.199000      0.7157000     -0.2714000      0.9608000
  1 1 1     -18    3    2 o    8.445000      0.3243000       7.856000 0.4284000       9.035000      0.4870000      -1.179000      0.6486000
  1 1 1     -18    3    3 o    3.838000      0.3552000       4.046000 0.4390000       3.630000      0.5584000      0.4164000      0.7103000
  1 1 1     -18    3    4 o    3.960000      0.3638000       4.236000 0.4487000       3.685000      0.5728000      0.5509000      0.7277000
  1 1 1     -18    3    5 o    2.712000      0.5855000       3.221000 0.8098000       2.203000      0.8458000       1.018000       1.171000
  1 1 1     -18    3    6 o    3.435000      0.5111000       4.012000 0.4841000       2.858000      0.9002000       1.155000       1.022000
  1 1 1     -18    3    7 o    7.343000      0.2507000       7.393000 0.3353000       7.293000      0.3728000      0.9991000E-01  0.5015000
  1 1 1     -18    3    8 o    2.418000      0.5257000       2.189000 0.7105000       2.647000      0.7750000     -0.4582000       1.051000
  1 1 1     -18    3    9 o    3.781000      0.4120000       3.757000 0.5352000       3.805000      0.6265000     -0.4806000E-01  0.8240000
  1 1 1     -18    3   10 o    8.462000      0.2464000       8.255000 0.3346000       8.670000      0.3619000     -0.4150000      0.4929000
  1 1 1     -18    3   11 f    5.575000      0.3178000       5.046000 0.4622000       6.104000      0.4362000      -1.059000      0.6355000
  1 1 1     -18    3   12 o    2.664000      0.5184000       3.262000 0.6665000       2.067000      0.7943000       1.196000       1.037000
  1 1 1     -18    3   13 o    6.337000      0.3659000       6.089000 0.4015000       6.586000      0.6118000     -0.4975000      0.7318000
  1 1 1     -18    3   14 o    13.99000      0.2598000       14.14000 0.3707000       13.83000      0.3640000      0.3119000      0.5196000
  1 1 1     -18    3   15 o    11.34000      0.2493000       11.47000 0.3541000       11.22000      0.3510000      0.2485000      0.4986000
  1 1 1     -18    3   16 o    8.665000      0.2652000       8.447000 0.3825000       8.884000      0.3676000     -0.4367000      0.5305000
  1 1 1     -18    3   17 o    12.23000      0.2600000       12.32000 0.3676000       12.15000      0.3678000      0.1673000      0.5200000
  1 1 1     -18    3   18 o    10.51000      0.2628000       10.74000 0.3717000       10.29000      0.3716000      0.4494000      0.5256000
  1 1 1     -18    3   19 o    15.32000      0.3897000       14.69000 0.5479000       15.95000      0.5543000      -1.256000      0.7794000
  1 1 1     -18    3   20 o    4.195000      0.4318000       4.203000 0.6204000       4.188000      0.6009000      0.1558000E-01  0.8637000
  1 1 1     -18    3   21 o    8.466000      0.2891000       8.354000 0.4197000       8.579000      0.3975000     -0.2254000      0.5781000
  1 1 1     -18    3   22 o    4.686000      0.6616000       5.316000 0.8167000       4.056000       1.041000       1.260000       1.323000
  1 1 1     -18    3   23 o    10.08000      0.2914000       9.953000 0.4125000       10.22000      0.4116000     -0.2639000      0.5827000
  1 1 1     -18    3   24 o    5.497000      0.4174000       5.173000 0.6115000       5.822000      0.5683000     -0.6495000      0.8348000
  1 1 1     -18    3   25 o    1.622000      0.5225000       1.619000 0.7414000       1.626000      0.7364000     -0.7252000E-02   1.045000
  1 1 1     -18    3   26 o    4.568000      0.4717000       4.944000 0.6284000       4.192000      0.7036000      0.7513000      0.9433000
  1 1 1     -18    3   27 o    3.097000      0.6220000       2.651000 0.9198000       3.542000      0.8376000     -0.8914000       1.244000
  1 1 1     -18    3   28 o    5.036000      0.4663000       4.703000 0.6913000       5.369000      0.6261000     -0.6658000      0.9327000
  1 1 1     -18    3   29 o    2.097000      0.6053000       2.366000 0.9011000       1.829000      0.8084000      0.5369000       1.211000
  1 1 1     -18    3   30 o    2.854000      0.6279000       2.205000 0.8913000       3.503000      0.8846000      -1.299000       1.256000
  1 1 1     -18    3   31 o    1.876000      0.6078000       1.472000 0.7148000       2.280000      0.9833000     -0.8087000       1.216000
  1 1 1     -18    4    1 o    2.628000      0.5760000       2.757000 0.7238000       2.500000      0.8961000      0.2562000       1.152000
  1 1 1     -18    4    2 o    5.220000      0.2607000       4.903000 0.3455000       5.538000      0.3906000     -0.6349000      0.5214000
  1 1 1     -18    4    3 o    10.03000      0.2244000       10.24000 0.3069000       9.815000      0.3275000      0.4202000      0.4489000
  1 1 1     -18    4    4 o    10.79000      0.3207000       10.75000 0.4480000       10.84000      0.4589000     -0.9220000E-01  0.6413000
  1 1 1     -18    4    5 o    8.004000      0.2459000       8.461000 0.3149000       7.546000      0.3778000      0.9152000      0.4918000
  1 1 1     -18    4    6 o    3.262000      0.4363000       2.974000 0.6093000       3.550000      0.6246000     -0.5757000      0.8726000
  1 1 1     -18    4    7 o    5.923000      0.2751000       6.033000 0.3615000       5.814000      0.4148000      0.2184000      0.5502000
  1 1 1     -18    4    8 o    6.871000      0.2580000       6.715000 0.3490000       7.027000      0.3801000     -0.3124000      0.5160000
  1 1 1     -18    4    9 o    5.414000      0.2989000       5.469000 0.3990000       5.359000      0.4453000      0.1107000      0.5979000
  1 1 1     -18    4   10 o    2.630000      0.5064000       2.409000 0.6924000       2.851000      0.7391000     -0.4423000       1.013000
  1 1 1     -18    4   11 o    6.037000      0.2962000       6.089000 0.3794000       5.985000      0.4550000      0.1042000      0.5924000
  1 1 1     -18    4   12 o    3.452000      0.4924000       2.816000 0.7465000       4.089000      0.6424000      -1.274000      0.9849000
  1 1 1     -18    4   13 o    7.680000      0.2769000       7.766000 0.3662000       7.594000      0.4156000      0.1718000      0.5539000
  1 1 1     -18    4   14 o    9.988000      0.2583000       9.829000 0.3470000       10.15000      0.3827000     -0.3183000      0.5166000
  1 1 1     -18    4   15 o    8.335000      0.2801000       7.884000 0.3852000       8.787000      0.4067000     -0.9031000      0.5602000
  1 1 1     -18    4   16 o    3.000000      0.5593000       3.396000 0.6749000       2.605000      0.8922000      0.7910000       1.119000
  1 1 1     -18    4   17 o    3.842000      0.5174000       3.543000 0.7389000       4.141000      0.7245000     -0.5977000       1.035000
  1 1 1     -18    4   18 o    15.12000      0.4107000       15.46000 0.5509000       14.78000      0.6093000      0.6834000      0.8214000
  1 1 1     -18    4   19 o    18.73000      0.3207000       19.12000 0.4466000       18.33000      0.4604000      0.7890000      0.6415000
  1 1 1     -18    4   20 o    11.45000      0.2879000       10.74000 0.3844000       12.16000      0.4286000      -1.421000      0.5758000
  1 1 1     -18    4   21 o    12.42000      0.4177000       11.58000 0.5899000       13.25000      0.5915000      -1.671000      0.8354000
  1 1 1     -18    4   22 o    5.999000      0.4207000       6.130000 0.5225000       5.867000      0.6595000      0.2632000      0.8414000
  1 1 1     -18    4   23 o    13.20000      0.3106000       13.21000 0.4123000       13.18000      0.4647000      0.3507000E-01  0.6213000
  1 1 1     -18    4   24 o    2.996000      0.7089000       1.834000 0.8168000       4.159000       1.159000      -2.325000       1.418000
  1 1 1     -18    4   25 o    1.978000      0.6303000       1.782000 0.7784000       2.175000      0.9914000     -0.3932000       1.261000
  1 1 1     -18    4   26 o    4.247000      0.6801000       4.651000 0.6724000       3.843000       1.182000      0.8084000       1.360000
  1 1 1     -18    4   27 o    3.218000      0.7449000       2.477000 0.9060000       3.959000       1.183000      -1.483000       1.490000
  1 1 1     -18    4   28 o    3.192000      0.7284000       3.313000 0.8766000       3.071000       1.164000      0.2430000       1.457000
  1 1 1     -18    4   29 o    2.797000      0.6504000       2.685000 0.9036000       2.910000      0.9358000     -0.2252000       1.301000
  1 1 1     -18    4   30 o    2.773000      0.6439000       2.957000 0.9151000       2.589000      0.9062000      0.3679000       1.288000
  1 1 1     -18    5    1 o    6.833000      0.2858000       6.984000 0.3032000       6.682000      0.4845000      0.3013000      0.5715000
  1 1 1     -18    5    2 o    4.126000      0.3249000       3.542000 0.4665000       4.710000      0.4522000      -1.168000      0.6497000
  1 1 1     -18    5    3 o    7.796000      0.3190000       7.359000 0.3986000       8.233000      0.4981000     -0.8742000      0.6380000
  1 1 1     -18    5    4 o    4.403000      0.3404000       4.971000 0.3699000       3.836000      0.5714000       1.135000      0.6807000
  1 1 1     -18    5    5 o    7.997000      0.2381000       7.923000 0.3202000       8.071000      0.3524000     -0.1480000      0.4761000
  1 1 1     -18    5    6 o    10.22000      0.2350000       10.31000 0.3175000       10.13000      0.3466000      0.1786000      0.4700000
  1 1 1     -18    5    7 o    10.52000      0.2368000       10.34000 0.3148000       10.71000      0.3538000     -0.3690000      0.4736000
  1 1 1     -18    5    8 o    4.619000      0.3164000       4.442000 0.4018000       4.796000      0.4889000     -0.3545000      0.6328000
  1 1 1     -18    5    9 o    8.770000      0.2437000       8.433000 0.3335000       9.107000      0.3556000     -0.6733000      0.4875000
  1 1 1     -18    5   10 o    10.82000      0.2439000       10.83000 0.3340000       10.81000      0.3554000      0.2710000E-01  0.4877000
  1 1 1     -18    5   11 o    17.17000      0.2848000       17.24000 0.3949000       17.10000      0.4104000      0.1363000      0.5695000
  1 1 1     -18    5   12 f    8.708000      0.3205000       8.596000 0.3517000       8.821000      0.5359000     -0.2251000      0.6410000
  1 1 1     -18    5   13 o    4.496000      0.3919000       4.646000 0.5025000       4.346000      0.6016000      0.3001000      0.7838000
  1 1 1     -18    5   14 o    4.738000      0.3974000       3.934000 0.5987000       5.542000      0.5228000      -1.609000      0.7948000
  1 1 1     -18    5   15 o    3.841000      0.4648000       3.598000 0.6293000       4.085000      0.6840000     -0.4870000      0.9295000
  1 1 1     -18    5   16 o    2.333000      0.5531000       1.649000 0.6988000       3.017000      0.8576000      -1.368000       1.106000
  1 1 1     -18    5   17 o    6.833000      0.4689000       6.785000 0.5803000       6.881000      0.7366000     -0.9615000E-01  0.9378000
  1 1 1     -18    5   18 o    5.203000      0.3964000       4.777000 0.5399000       5.628000      0.5805000     -0.8511000      0.7928000
  1 1 1     -18    5   19 o    8.628000      0.3076000       8.570000 0.4044000       8.686000      0.4636000     -0.1163000      0.6152000
  1 1 1     -18    5   20 o    2.711000      0.7130000       3.125000 1.039000       2.297000      0.9764000      0.8279000       1.426000
  1 1 1     -18    5   21 o    2.205000      0.6170000       2.013000 0.8132000       2.397000      0.9283000     -0.3843000       1.234000
  1 1 1     -18    5   22 o    9.785000      0.3127000       9.946000 0.4166000       9.625000      0.4666000      0.3216000      0.6255000
  1 1 1     -18    5   23 o    2.773000      0.6518000       2.966000 0.8731000       2.581000      0.9680000      0.3851000       1.304000
  1 1 1     -18    5   24 o    8.222000      0.3413000       8.682000 0.4228000       7.762000      0.5358000      0.9195000      0.6825000
  1 1 1     -18    5   25 f    4.123000      0.5778000       3.389000 0.8475000       4.858000      0.7854000      -1.469000       1.156000
  1 1 1     -18    5   26 o    5.977000      0.4341000       5.759000 0.5860000       6.195000      0.6407000     -0.4367000      0.8683000
  1 1 1     -18    5   27 o    7.282000      0.3630000       7.902000 0.4648000       6.662000      0.5578000       1.240000      0.7261000
  1 1 1     -18    5   28 o    5.850000      0.4098000       6.065000 0.5645000       5.634000      0.5942000      0.4308000      0.8196000
  1 1 1     -18    5   29 o    3.173000      0.6339000       3.231000 0.8837000       3.115000      0.9091000      0.1162000       1.268000
  1 1 1     -18    5   30 o    2.390000      0.8603000       2.390000 0.8603000                  ?              ?              ?              ?
  1 1 1     -18    6    1 o    2.038000      0.8741000       2.038000 0.8741000                  ?              ?              ?              ?
  1 1 1     -18    6    2 o    8.659000      0.3677000       8.597000 0.5576000       8.722000      0.4796000     -0.1248000      0.7355000
  1 1 1     -18    6    3 o    5.797000      0.4236000                  ?       ?   5.797000      0.4236000                  ?              ?
  1 1 1     -18    6    4 o    3.780000      0.3788000       3.822000 0.4425000       3.738000      0.6151000      0.8469000E-01  0.7577000
  1 1 1     -18    6    5 o    4.314000      0.3348000       4.475000 0.4141000       4.153000      0.5261000      0.3217000      0.6695000
  1 1 1     -18    6    6 o    11.90000      0.2376000       11.96000 0.3237000       11.84000      0.3479000      0.1183000      0.4752000
  1 1 1     -18    6    7 o    6.400000      0.2783000       6.656000 0.3524000       6.144000      0.4309000      0.5120000      0.5566000
  1 1 1     -18    6    8 o    8.611000      0.2473000       8.522000 0.3233000       8.700000      0.3743000     -0.1778000      0.4946000
  1 1 1     -18    6    9 o    7.665000      0.2563000       7.794000 0.3369000       7.535000      0.3862000      0.2587000      0.5126000
  1 1 1     -18    6   10 o    3.312000      0.4636000       3.397000 0.5911000       3.227000      0.7145000      0.1704000      0.9273000
  1 1 1     -18    6   11 o    9.844000      0.2503000       9.681000 0.3356000       10.01000      0.3716000     -0.3277000      0.5007000
  1 1 1     -18    6   12 o    9.415000      0.2542000       8.988000 0.3449000       9.841000      0.3735000     -0.8523000      0.5084000
  1 1 1     -18    6   13 o    6.899000      0.2959000       6.838000 0.3825000       6.960000      0.4515000     -0.1223000      0.5917000
  1 1 1     -18    6   14 o    6.371000      0.3188000       6.468000 0.4196000       6.274000      0.4800000      0.1940000      0.6376000
  1 1 1     -18    6   15 o    8.204000      0.2821000       8.582000 0.3615000       7.826000      0.4333000      0.7559000      0.5642000
  1 1 1     -18    6   16 o    8.226000      0.4418000       8.631000 0.5208000       7.821000      0.7137000      0.8107000      0.8835000
  1 1 1     -18    6   17 o    6.772000      0.3420000       7.004000 0.4346000       6.539000      0.5283000      0.4653000      0.6841000
  1 1 1     -18    6   18 o    6.187000      0.3855000       6.983000 0.4329000       5.392000      0.6381000       1.591000      0.7710000
  1 1 1     -18    6   19 f    7.293000      0.4502000       6.956000 0.6304000       7.630000      0.6428000     -0.6742000      0.9004000
  1 1 1     -18    6   20 o    8.583000      0.3056000       8.341000 0.3957000       8.824000      0.4659000     -0.4822000      0.6112000
  1 1 1     -18    6   21 o    6.383000      0.3805000       6.019000 0.5108000       6.747000      0.5640000     -0.7284000      0.7609000
  1 1 1     -18    6   22 o    5.190000      0.4470000       4.779000 0.5942000       5.601000      0.6680000     -0.8218000      0.8940000
  1 1 1     -18    6   23 o    3.971000      0.5691000       3.193000 0.8446000       4.749000      0.7632000      -1.555000       1.138000
  1 1 1     -18    6   24 o    3.119000      0.5630000       1.694000 0.7625000       4.543000      0.8286000      -2.849000       1.126000
  1 1 1     -18    6   25 o    2.905000      0.6365000       2.068000 0.8678000       3.742000      0.9315000      -1.674000       1.273000
  1 1 1     -18    6   26 o    2.444000      0.6243000       1.919000 0.8041000       2.969000      0.9552000      -1.051000       1.249000
  1 1 1     -18    6   27 o    5.714000      0.4181000       5.455000 0.5922000       5.972000      0.5904000     -0.5173000      0.8362000
  1 1 1     -18    6   28 o    2.994000      0.6155000       3.596000 0.8303000       2.391000      0.9088000       1.205000       1.231000
  1 1 1     -18    6   29 o    2.748000      0.6424000       3.158000 0.9045000       2.338000      0.9125000      0.8201000       1.285000
  1 1 1     -18    7    1 o    9.194000      0.2334000       9.249000 0.3279000       9.138000      0.3322000      0.1112000      0.4668000
  1 1 1     -18    7    2 o    3.658000      0.4079000       3.613000 0.5640000       3.702000      0.5895000     -0.8939000E-01  0.8158000
  1 1 1     -18    7    3 o    3.617000      0.4158000       3.693000 0.5687000       3.540000      0.6066000      0.1526000      0.8315000
  1 1 1     -18    7    4 o    8.928000      0.2417000       9.046000 0.3372000       8.810000      0.3463000      0.2361000      0.4834000
  1 1 1     -18    7    5 f    2.492000      0.5289000       2.641000 0.7327000       2.342000      0.7630000      0.2982000       1.058000
  1 1 1     -18    7    6 o    8.736000      0.2907000       9.229000 0.4463000       8.244000      0.3726000      0.9851000      0.5814000
  1 1 1     -18    7    7 o    4.533000      0.3509000       4.840000 0.3958000       4.226000      0.5795000      0.6137000      0.7017000
  1 1 1     -18    7    8 o    5.503000      0.2955000       5.333000 0.3897000       5.674000      0.4444000     -0.3405000      0.5911000
  1 1 1     -18    7    9 o    9.321000      0.2486000       9.383000 0.3341000       9.258000      0.3682000      0.1250000      0.4972000
  1 1 1     -18    7   10 o    11.88000      0.2514000       11.95000 0.3415000       11.82000      0.3690000      0.1335000      0.5028000
  1 1 1     -18    7   11 o    6.463000      0.2907000       6.273000 0.3828000       6.653000      0.4377000     -0.3804000      0.5815000
  1 1 1     -18    7   12 o    10.00000      0.2612000       10.49000 0.3460000       9.516000      0.3914000      0.9728000      0.5224000
  1 1 1     -18    7   13 o    1.982000      0.5573000       1.794000 0.7452000       2.170000      0.8288000     -0.3758000       1.115000
  1 1 1     -18    7   14 o    11.17000      0.2738000       11.63000 0.3622000       10.72000      0.4108000      0.9127000      0.5477000
  1 1 1     -18    7   15 o    2.933000      0.6753000       3.309000 0.8599000       2.557000       1.041000      0.7522000       1.351000
  1 1 1     -18    7   16 o    4.990000      0.3934000       5.363000 0.4827000       4.617000      0.6212000      0.7455000      0.7867000
  1 1 1     -18    7   17 o    10.67000      0.2773000       10.52000 0.3751000       10.82000      0.4084000     -0.3048000      0.5545000
  1 1 1     -18    7   18 o    9.914000      0.3944000       9.602000 0.5580000       10.23000      0.5575000     -0.6249000      0.7888000
  1 1 1     -18    7   19 o    5.940000      0.4046000       6.447000 0.4722000       5.433000      0.6571000       1.015000      0.8091000
  1 1 1     -18    7   20 o    5.205000      0.4459000       5.116000 0.5914000       5.293000      0.6675000     -0.1767000      0.8918000
  1 1 1     -18    7   21 o    2.107000      0.6014000       1.614000 0.7348000       2.600000      0.9524000     -0.9865000       1.203000
  1 1 1     -18    7   22 o    4.461000      0.5303000       4.865000 0.5790000       4.057000      0.8885000      0.8081000       1.061000
  1 1 1     -18    7   23 o    9.218000      0.3250000       9.576000 0.4113000       8.859000      0.5034000      0.7167000      0.6500000
  1 1 1     -18    7   24 o    7.387000      0.3634000       7.680000 0.4446000       7.094000      0.5749000      0.5867000      0.7268000
  1 1 1     -18    7   25 o    3.557000      0.5801000       4.601000 0.6677000       2.513000      0.9487000       2.088000       1.160000
  1 1 1     -18    7   26 o    1.850000      0.5783000       1.945000 0.8363000       1.755000      0.7991000      0.1907000       1.157000
  1 1 1     -18    7   27 o    2.224000      0.6200000       2.548000 0.9170000       1.900000      0.8347000      0.6472000       1.240000
  1 1 1     -18    7   28 o    2.854000      0.6315000       3.091000 0.8594000       2.618000      0.9255000      0.4730000       1.263000
  1 1 1     -18    8    1 o    3.896000      0.4064000       4.453000 0.4538000       3.339000      0.6744000       1.115000      0.8128000
  1 1 1     -18    8    2 o    1.384000      0.4439000       1.348000 0.6089000       1.420000      0.6462000     -0.7255000E-01  0.8879000
  1 1 1     -18    8    3 f    3.192000      0.4725000       2.850000 0.7002000       3.534000      0.6346000     -0.6840000      0.9450000
  1 1 1     -18    8    4 o    3.363000      0.4432000       3.110000 0.6689000       3.616000      0.5817000     -0.5060000      0.8865000
  1 1 1     -18    8    5 o    1.715000      0.5060000       1.584000 0.6920000       1.847000      0.7383000     -0.2626000       1.012000
  1 1 1     -18    8    6 o    3.469000      0.4721000       3.071000 0.7112000       3.867000      0.6210000     -0.7959000      0.9442000
  1 1 1     -18    8    7 o    3.517000      0.4683000       3.530000 0.6500000       3.504000      0.6743000      0.2613000E-01  0.9366000
  1 1 1     -18    8    8 o    17.87000      0.2962000       17.97000 0.4205000       17.76000      0.4173000      0.2087000      0.5924000
  1 1 1     -18    8    9 f    12.01000      0.2987000       12.63000 0.4710000       11.38000      0.3674000       1.249000      0.5974000
  1 1 1     -18    8   10 o    5.059000      0.3485000       5.311000 0.4332000       4.807000      0.5462000      0.5039000      0.6971000
  1 1 1     -18    8   11 o    13.22000      0.2621000       13.11000 0.3540000       13.33000      0.3867000     -0.2185000      0.5242000
  1 1 1     -18    8   12 o    7.757000      0.2871000       7.934000 0.3677000       7.580000      0.4409000      0.3542000      0.5742000
  1 1 1     -18    8   13 o    13.51000      0.3229000       13.07000 0.5074000       13.95000      0.3995000     -0.8842000      0.6458000
  1 1 1     -18    8   14 o    14.78000      0.3980000       15.00000 0.5387000       14.56000      0.5859000      0.4415000      0.7960000
  1 1 1     -18    8   15 o    4.097000      0.4905000       3.665000 0.6834000       4.529000      0.7040000     -0.8639000      0.9811000
  1 1 1     -18    8   16 f    2.908000      0.5986000       3.051000 0.7837000       2.766000      0.9051000      0.2851000       1.197000
  1 1 1     -18    8   17 o    2.508000      0.6783000       2.642000 0.9652000       2.374000      0.9532000      0.2677000       1.357000
  1 1 1     -18    8   18 o    2.191000      0.5989000       2.350000 0.8473000       2.032000      0.8466000      0.3179000       1.198000
  1 1 1     -18    8   19 o    4.201000      0.5407000       4.874000 0.5437000       3.527000      0.9348000       1.347000       1.081000
  1 1 1     -18    8   20 o    3.473000      0.6339000       3.299000 0.8559000       3.648000      0.9353000     -0.3496000       1.268000
  1 1 1     -18    8   21 o    4.058000      0.5661000       4.263000 0.6510000       3.853000      0.9263000      0.4100000       1.132000
  1 1 1     -18    8   22 o    5.890000      0.4253000       6.148000 0.4945000       5.633000      0.6920000      0.5154000      0.8505000
  1 1 1     -18    8   23 o    6.088000      0.4084000       6.460000 0.4709000       5.716000      0.6674000      0.7437000      0.8168000
  1 1 1     -18    8   24 o    3.494000      0.6232000       3.466000 0.8161000       3.522000      0.9421000     -0.5596000E-01   1.246000
  1 1 1     -18    8   25 o    2.547000      0.6488000       2.215000 0.8754000       2.879000      0.9578000     -0.6640000       1.298000
  1 1 1     -18    8   26 o    2.054000      0.6033000       2.453000 0.9299000       1.656000      0.7690000      0.7976000       1.207000
  1 1 1     -18    8   27 o    1.845000      0.5792000       1.746000 0.7919000       1.944000      0.8456000     -0.1972000       1.158000
  1 1 1     -18    8   28 o    2.195000      0.6318000       2.167000 0.8808000       2.222000      0.9061000     -0.5462000E-01   1.264000
  1 1 1     -18    9    1 o    6.263000      0.2668000       5.777000 0.3813000       6.749000      0.3733000     -0.9720000      0.5336000
  1 1 1     -18    9    2 o    1.932000      0.5293000       1.634000 0.6799000       2.229000      0.8114000     -0.5954000       1.059000
  1 1 1     -18    9    3 o    2.584000      0.5019000       2.022000 0.7289000       3.146000      0.6902000      -1.124000       1.004000
  1 1 1     -18    9    4 o    8.896000      0.3376000       8.990000 0.5720000       8.802000      0.3587000      0.1872000      0.6751000
  1 1 1     -18    9    5 o    7.957000      0.2581000       8.021000 0.3718000       7.893000      0.3581000      0.1278000      0.5162000
  1 1 1     -18    9    6 o    8.540000      0.2592000       8.412000 0.3683000       8.669000      0.3647000     -0.2562000      0.5183000
  1 1 1     -18    9    7 o    2.703000      0.5490000       2.480000 0.8037000       2.925000      0.7480000     -0.4449000       1.098000
  1 1 1     -18    9    8 o    5.249000      0.3461000       5.451000 0.4718000       5.047000      0.5065000      0.4043000      0.6922000
  1 1 1     -18    9    9 o    12.22000      0.2691000       12.31000 0.3828000       12.13000      0.3783000      0.1870000      0.5382000
  1 1 1     -18    9   10 o    5.923000      0.3422000       6.177000 0.4750000       5.670000      0.4929000      0.5066000      0.6845000
  1 1 1     -18    9   11 o    6.386000      0.3397000       5.806000 0.5006000       6.965000      0.4593000      -1.159000      0.6794000
  1 1 1     -18    9   12 o    2.100000      0.5909000       2.651000 0.9032000       1.549000      0.7622000       1.102000       1.182000
  1 1 1     -18    9   13 o    5.744000      0.5380000       6.320000 0.5769000       5.168000      0.9083000       1.152000       1.076000
  1 1 1     -18    9   14 o    10.85000      0.2692000       10.34000 0.3639000       11.37000      0.3969000      -1.032000      0.5384000
  1 1 1     -18    9   15 o    4.508000      0.4204000       4.420000 0.5066000       4.597000      0.6710000     -0.1772000      0.8408000
  1 1 1     -18    9   16 o    7.655000      0.4311000       7.120000 0.6011000       8.189000      0.6182000      -1.070000      0.8622000
  1 1 1     -18    9   17 o    5.205000      0.3904000       4.915000 0.5029000       5.495000      0.5973000     -0.5798000      0.7809000
  1 1 1     -18    9   18 o    2.898000      0.6364000       2.871000 0.8424000       2.925000      0.9541000     -0.5370000E-01   1.273000
  1 1 1     -18    9   19 o    5.054000      0.4831000       4.960000 0.6361000       5.149000      0.7273000     -0.1888000      0.9663000
  1 1 1     -18    9   20 o    4.176000      0.5676000       4.670000 0.6010000       3.681000      0.9631000      0.9891000       1.135000
  1 1 1     -18    9   21 o    3.119000      0.6168000       3.683000 0.7681000       2.555000      0.9653000       1.128000       1.234000
  1 1 1     -18    9   22 o    2.434000      0.6569000       2.291000 0.8759000       2.577000      0.9791000     -0.2863000       1.314000
  1 1 1     -18    9   23 o    5.082000      0.4715000       4.827000 0.6480000       5.336000      0.6851000     -0.5090000      0.9430000
  1 1 1     -18    9   24 o    2.006000      0.5941000       1.960000 0.8057000       2.053000      0.8732000     -0.9327000E-01   1.188000
  1 1 1     -18    9   25 o    2.654000      0.6505000       2.214000 0.8824000       3.094000      0.9559000     -0.8803000       1.301000
  1 1 1     -18    9   26 o    2.109000      0.6133000       2.075000 0.8506000       2.143000      0.8837000     -0.6813000E-01   1.227000
  1 1 1     -18    9   27 o    2.177000      0.6324000       2.022000 0.8695000       2.332000      0.9187000     -0.3100000       1.265000
  1 1 1     -18   10    1 o    9.854000      0.2378000       9.663000 0.3334000       10.04000      0.3393000     -0.3820000      0.4757000
  1 1 1     -18   10    2 o    4.359000      0.5097000       4.359000 0.5097000                  ?              ?              ?              ?
  1 1 1     -18   10    3 o    3.443000      0.4497000       3.249000 0.6578000       3.638000      0.6134000     -0.3887000      0.8994000
  1 1 1     -18   10    4 o    6.765000      0.4005000                  ?       ?   6.765000      0.4005000                  ?              ?
  1 1 1     -18   10    5 o    12.00000      0.2556000       12.06000 0.3670000       11.94000      0.3558000      0.1242000      0.5112000
  1 1 1     -18   10    6 o    7.632000      0.2720000       7.431000 0.3950000       7.834000      0.3742000     -0.4029000      0.5441000
  1 1 1     -18   10    7 o    2.951000      0.5404000       2.321000 0.8129000       3.580000      0.7121000      -1.259000       1.081000
  1 1 1     -18   10    8 o    15.19000      0.2789000       15.13000 0.3973000       15.24000      0.3917000     -0.1107000      0.5579000
  1 1 1     -18   10    9 o    11.08000      0.2690000       10.82000 0.3837000       11.33000      0.3770000     -0.5115000      0.5379000
  1 1 1     -18   10   10 o    6.475000      0.3270000       7.066000 0.4345000       5.885000      0.4888000       1.181000      0.6540000
  1 1 1     -18   10   11 o    2.227000      0.6042000       2.652000 0.8639000       1.802000      0.8449000      0.8496000       1.208000
  1 1 1     -18   10   12 o    3.646000      0.5484000       4.381000 0.6041000       2.910000      0.9155000       1.471000       1.097000
  1 1 1     -18   10   13 o    1.937000      0.5510000       2.362000 0.8450000       1.511000      0.7074000      0.8513000       1.102000
  1 1 1     -18   10   14 o    6.095000      0.4612000       5.740000 0.6213000       6.450000      0.6818000     -0.7105000      0.9224000
  1 1 1     -18   10   15 f    2.380000      0.6832000       1.857000 0.8359000       2.903000       1.081000      -1.047000       1.366000
  1 1 1     -18   10   16 o    5.726000      0.3735000       4.954000 0.5192000       6.498000      0.5371000      -1.544000      0.7471000
  1 1 1     -18   10   17 o    3.685000      0.5671000       3.766000 0.7295000       3.605000      0.8684000      0.1607000       1.134000
  1 1 1     -18   10   18 o    9.055000      0.3126000       9.103000 0.4101000       9.007000      0.4717000      0.9593000E-01  0.6251000
  1 1 1     -18   10   19 o    12.03000      0.2974000       12.27000 0.3872000       11.79000      0.4515000      0.4835000      0.5947000
  1 1 1     -18   10   20 o    4.104000      0.5728000       4.493000 0.6619000       3.715000      0.9350000      0.7784000       1.146000
  1 1 1     -18   10   21 o    2.432000      0.6343000       2.585000 0.8675000       2.279000      0.9256000      0.3068000       1.269000
  1 1 1     -18   10   22 o    4.600000      0.5223000       4.441000 0.6930000       4.758000      0.7815000     -0.3164000       1.045000
  1 1 1     -18   10   23 o    3.917000      0.6091000       4.503000 0.6836000       3.331000       1.008000       1.173000       1.218000
  1 1 1     -18   10   24 o    3.397000      0.6688000       3.374000 0.8946000       3.420000      0.9944000     -0.4654000E-01   1.338000
  1 1 1     -18   10   25 o    4.360000      0.5657000       5.336000 0.6177000       3.384000      0.9479000       1.952000       1.131000
  1 1 1     -18   10   26 o    2.237000      0.6225000       1.885000 0.8144000       2.588000      0.9416000     -0.7028000       1.245000
  1 1 1     -18   11    1 o    9.484000      0.2447000       9.639000 0.3476000       9.330000      0.3445000      0.3092000      0.4894000
  1 1 1     -18   11    2 o    1.873000      0.5147000       2.209000 0.7689000       1.537000      0.6844000      0.6719000       1.029000
  1 1 1     -18   11    3 o    8.840000      0.2517000       8.940000 0.3562000       8.739000      0.3558000      0.2005000      0.5035000
  1 1 1     -18   11    4 o    4.726000      0.3742000       4.347000 0.5609000       5.105000      0.4955000     -0.7578000      0.7484000
  1 1 1     -18   11    5 o    7.449000      0.2782000       7.321000 0.4045000       7.576000      0.3820000     -0.2553000      0.5564000
  1 1 1     -18   11    6 o    2.098000      0.5523000       1.711000 0.7310000       2.485000      0.8280000     -0.7737000       1.105000
  1 1 1     -18   11    7 o    8.715000      0.2691000       9.066000 0.3799000       8.364000      0.3811000      0.7013000      0.5381000
  1 1 1     -18   11    8 o    16.81000      0.2918000       16.71000 0.4136000       16.91000      0.4117000     -0.1952000      0.5836000
  1 1 1     -18   11    9 o    3.364000      0.6632000       2.957000 0.8555000       3.772000       1.014000     -0.8152000       1.326000
  1 1 1     -18   11   10 o    5.243000      0.5342000       5.903000 0.5428000       4.583000      0.9203000       1.320000       1.068000
  1 1 1     -18   11   11 o    3.437000      0.5456000       2.668000 0.8277000       4.206000      0.7110000      -1.538000       1.091000
  1 1 1     -18   11   12 o    5.998000      0.3691000       5.800000 0.5297000       6.195000      0.5143000     -0.3944000      0.7383000
  1 1 1     -18   11   13 o    2.768000      0.7888000       2.896000 1.212000       2.640000       1.010000      0.2558000       1.578000
  1 1 1     -18   11   14 o    2.469000      0.6332000       2.179000 0.8646000       2.759000      0.9254000     -0.5801000       1.266000
  1 1 1     -18   11   15 o    6.105000      0.3907000       5.959000 0.5573000       6.250000      0.5478000     -0.2907000      0.7814000
  1 1 1     -18   11   16 f    5.217000      0.4495000       5.445000 0.5445000       4.990000      0.7154000      0.4557000      0.8990000
  1 1 1     -18   11   17 o    3.754000      0.5803000       4.018000 0.6791000       3.490000      0.9411000      0.5276000       1.161000
  1 1 1     -18   11   18 o    8.122000      0.3304000       8.232000 0.4110000       8.011000      0.5174000      0.2210000      0.6608000
  1 1 1     -18   11   19 f    3.102000      0.6363000       3.402000 0.7979000       2.801000      0.9915000      0.6015000       1.273000
  1 1 1     -18   11   20 o    3.346000      0.6438000       2.860000 0.9025000       3.831000      0.9182000     -0.9716000       1.288000
  1 1 1     -18   11   21 o    2.274000      0.6319000       1.955000 0.8079000       2.593000      0.9719000     -0.6383000       1.264000
  1 1 1     -18   11   22 o    5.760000      0.4586000       6.375000 0.4989000       5.145000      0.7697000       1.230000      0.9172000
  1 1 1     -18   11   23 o    3.554000      0.6096000       3.097000 0.8586000       4.011000      0.8656000     -0.9140000       1.219000
  1 1 1     -18   11   24 o    4.251000      0.5474000       4.335000 0.7089000       4.167000      0.8344000      0.1675000       1.095000
  1 1 1     -18   11   25 o    2.630000      0.6455000       2.726000 0.8992000       2.535000      0.9262000      0.1913000       1.291000
  1 1 1     -18   12    1 o    2.376000      0.5346000       2.474000 0.7479000       2.277000      0.7641000      0.1972000       1.069000
  1 1 1     -18   12    2 o    10.24000      0.2490000       9.928000 0.3548000       10.56000      0.3495000     -0.6301000      0.4980000
  1 1 1     -18   12    3 f    11.14000      0.2530000       11.03000 0.3650000       11.24000      0.3503000     -0.2097000      0.5059000
  1 1 1     -18   12    4 o    4.512000      0.3951000       4.569000 0.5471000       4.455000      0.5702000      0.1138000      0.7902000
  1 1 1     -18   12    5 o    3.629000      0.4693000       3.365000 0.6881000       3.893000      0.6384000     -0.5282000      0.9386000
  1 1 1     -18   12    6 o    13.50000      0.2664000       13.54000 0.3793000       13.47000      0.3742000      0.7029000E-01  0.5329000
  1 1 1     -18   12    7 o    10.62000      0.2621000       10.40000 0.3808000       10.85000      0.3602000     -0.4464000      0.5242000
  1 1 1     -18   12    8 o    7.829000      0.3735000       7.577000 0.4658000       8.081000      0.5841000     -0.5036000      0.7471000
  1 1 1     -18   12    9 o    6.891000      0.3116000       7.235000 0.4140000       6.548000      0.4659000      0.6870000      0.6233000
  1 1 1     -18   12   10 o    4.183000      0.5031000       4.605000 0.6148000       3.760000      0.7965000      0.8450000       1.006000
  1 1 1     -18   12   11 o    7.709000      0.5233000       7.939000 0.8602000       7.480000      0.5962000      0.4595000       1.047000
  1 1 1     -18   12   12 o    4.616000      0.7820000       4.302000 1.324000       4.930000      0.8318000     -0.6287000       1.564000
  1 1 1     -18   12   13 o    8.725000      0.3113000       8.634000 0.4358000       8.817000      0.4445000     -0.1833000      0.6225000
  1 1 1     -18   12   14 o    8.191000      0.3283000       8.293000 0.4588000       8.090000      0.4697000      0.2028000      0.6566000
  1 1 1     -18   12   15 o    5.395000      0.4369000       4.888000 0.6423000       5.902000      0.5925000      -1.015000      0.8739000
  1 1 1     -18   12   16 o    3.089000      0.6531000       3.108000 0.8506000       3.071000      0.9914000      0.3671000E-01   1.306000
  1 1 1     -18   12   17 o    3.667000      0.6117000       3.481000 0.8693000       3.852000      0.8609000     -0.3716000       1.223000
  1 1 1     -18   12   18 o    4.050000      0.5468000       3.717000 0.7562000       4.384000      0.7902000     -0.6671000       1.094000
  1 1 1     -18   12   19 o    4.598000      0.5238000       4.993000 0.6217000       4.203000      0.8431000      0.7907000       1.048000
  1 1 1     -18   12   20 f    1.751000      0.5625000       1.591000 0.7235000       1.911000      0.8616000     -0.3196000       1.125000
  1 1 1     -18   12   21 o    3.256000      0.6314000       2.837000 0.8570000       3.675000      0.9275000     -0.8377000       1.263000
  1 1 1     -18   12   22 o    7.543000      0.3384000       7.195000 0.4656000       7.891000      0.4912000     -0.6964000      0.6768000
  1 1 1     -18   12   23 o    3.419000      0.6365000       3.782000 0.8048000       3.055000      0.9863000      0.7270000       1.273000
  1 1 1     -18   12   24 o    2.096000      0.6181000       1.706000 0.7797000       2.486000      0.9592000     -0.7796000       1.236000
  1 1 1     -18   13    1 o    9.243000      0.2486000       9.013000 0.3501000       9.473000      0.3530000     -0.4606000      0.4971000
  1 1 1     -18   13    2 o    3.435000      0.4821000       3.178000 0.7106000       3.691000      0.6517000     -0.5132000      0.9642000
  1 1 1     -18   13    3 o    4.883000      0.4057000       5.615000 0.4484000       4.150000      0.6763000       1.465000      0.8114000
  1 1 1     -18   13    4 o    8.548000      0.2629000       8.778000 0.3742000       8.319000      0.3695000      0.4594000      0.5259000
  1 1 1     -18   13    5 o    10.81000      0.3934000       10.33000 0.6903000       11.28000      0.3775000     -0.9527000      0.7867000
  1 1 1     -18   13    6 o    5.501000      0.4864000       6.323000 0.5095000       4.678000      0.8286000       1.645000      0.9727000
  1 1 1     -18   13    7 o    6.757000      0.3363000       6.317000 0.5193000       7.198000      0.4274000     -0.8814000      0.6726000
  1 1 1     -18   13    8 o    3.118000      0.5628000       3.171000 0.7976000       3.066000      0.7942000      0.1052000       1.126000
  1 1 1     -18   13    9 o    2.847000      0.7484000       3.250000 1.247000       2.444000      0.8279000      0.8056000       1.497000
  1 1 1     -18   13   10 o    2.048000      0.6710000       2.271000 1.054000       1.825000      0.8314000      0.4460000       1.342000
  1 1 1     -18   13   11 o    6.667000      0.3538000       6.605000 0.5085000       6.729000      0.4920000     -0.1236000      0.7075000
  1 1 1     -18   13   12 o    4.268000      0.5284000       4.453000 0.6811000       4.084000      0.8081000      0.3682000       1.057000
  1 1 1     -18   13   13 o    5.885000      0.3997000       5.725000 0.5572000       6.045000      0.5733000     -0.3196000      0.7994000
  1 1 1     -18   13   14 o    3.092000      0.6497000       2.828000 0.9208000       3.357000      0.9167000     -0.5292000       1.299000
  1 1 1     -18   13   15 o    2.020000      0.6012000       1.901000 0.8176000       2.139000      0.8815000     -0.2386000       1.202000
  1 1 1     -18   13   16 o    2.646000      0.6402000       3.072000 0.9082000       2.219000      0.9027000      0.8531000       1.280000
  1 1 1     -18   13   17 o    3.291000      0.6542000       2.768000 0.9354000       3.814000      0.9149000      -1.045000       1.308000
  1 1 1     -18   13   18 o    4.702000      0.5406000       4.972000 0.7370000       4.432000      0.7911000      0.5400000       1.081000
  1 1 1     -18   13   19 o    3.940000      0.5869000       3.136000 0.9224000       4.743000      0.7258000      -1.607000       1.174000
  1 1 1     -18   13   20 o    2.124000      0.6104000       2.079000 0.8252000       2.169000      0.8997000     -0.9039000E-01   1.221000
  1 1 1     -18   13   21 o    3.519000      0.6322000       3.793000 0.7756000       3.245000      0.9986000      0.5487000       1.264000
  1 1 1     -18   13   22 o    3.001000      0.6069000       3.813000 0.8064000       2.189000      0.9072000       1.624000       1.214000
  1 1 1     -18   13   23 o    3.773000      0.5953000       3.534000 0.8242000       4.013000      0.8590000     -0.4792000       1.191000
  1 1 1     -18   14    1 o    7.100000      0.2837000       6.556000 0.4103000       7.644000      0.3918000      -1.089000      0.5674000
  1 1 1     -18   14    2 o    3.784000      0.4571000       3.731000 0.6465000       3.836000      0.6464000     -0.1044000      0.9142000
  1 1 1     -18   14    3 o    2.633000      0.7411000       2.633000 0.7411000                  ?              ?              ?              ?
  1 1 1     -18   14    4 o    6.713000      0.3627000       6.553000 0.4627000       6.874000      0.5586000     -0.3212000      0.7254000
  1 1 1     -18   14    5 o    7.068000      0.5830000                  ?       ?   7.068000      0.5830000                  ?              ?
  1 1 1     -18   14    6 o    3.248000      0.5423000       3.190000 0.7566000       3.306000      0.7770000     -0.1158000       1.085000
  1 1 1     -18   14    7 o    2.621000      0.5698000       2.251000 0.7814000       2.990000      0.8296000     -0.7394000       1.140000
  1 1 1     -18   14    8 o    2.726000      0.7884000       3.195000 1.249000       2.256000      0.9627000      0.9387000       1.577000
  1 1 1     -18   14    9 f    5.600000      0.3815000       5.369000 0.5534000       5.831000      0.5252000     -0.4621000      0.7629000
  1 1 1     -18   14   10 o    3.261000      0.5950000       3.244000 0.7920000       3.278000      0.8881000     -0.3396000E-01   1.190000
  1 1 1     -18   14   11 o    2.262000      0.6100000       2.023000 0.8357000       2.502000      0.8888000     -0.4789000       1.220000
  1 1 1     -18   14   12 o    1.980000      0.5781000       1.727000 0.7797000       2.232000      0.8538000     -0.5055000       1.156000
  1 1 1     -18   14   13 o    2.562000      0.6440000       2.710000 0.9100000       2.414000      0.9116000      0.2964000       1.288000
  1 1 1     -18   14   14 o    2.252000      0.6175000       2.584000 0.9079000       1.920000      0.8373000      0.6636000       1.235000
  1 1 1     -18   14   15 o    3.056000      0.6504000       2.550000 0.9115000       3.561000      0.9281000      -1.011000       1.301000
  1 1 1     -18   14   16 o    6.462000      0.3870000       6.442000 0.5261000       6.483000      0.5676000     -0.4101000E-01  0.7739000
  1 1 1     -18   14   17 o    5.016000      0.5002000       5.723000 0.5879000       4.310000      0.8094000       1.412000       1.000000
  1 1 1     -18   14   18 o    3.070000      0.6316000       2.305000 0.9089000       3.834000      0.8772000      -1.529000       1.263000
  1 1 1     -18   14   19 o    3.174000      0.6777000       3.070000 0.9476000       3.277000      0.9691000     -0.2065000       1.355000
  1 1 1     -18   14   20 o    2.285000      0.6281000       2.562000 0.9103000       2.009000      0.8657000      0.5531000       1.256000
  1 1 1     -18   14   21 o    3.011000      0.6554000       3.065000 0.8889000       2.958000      0.9632000      0.1068000       1.311000
  1 1 1     -18   14   22 o    2.064000      0.6124000       2.057000 0.8498000       2.070000      0.8820000     -0.1385000E-01   1.225000
  1 1 1     -18   15    1 o    9.517000      0.2550000       9.368000 0.3806000       9.667000      0.3395000     -0.2986000      0.5101000
  1 1 1     -18   15    2 o    7.474000      0.3728000       7.752000 0.4346000       7.195000      0.6060000      0.5565000      0.7457000
  1 1 1     -18   15    3 o    4.059000      0.4800000       4.523000 0.6608000       3.596000      0.6963000      0.9270000      0.9600000
  1 1 1     -18   15    4 o    5.950000      0.3360000       6.262000 0.4491000       5.638000      0.4999000      0.6236000      0.6720000
  1 1 1     -18   15    5 o    5.053000      0.3775000       4.709000 0.5445000       5.396000      0.5231000     -0.6869000      0.7551000
  1 1 1     -18   15    6 f    3.071000      0.8145000       3.393000 1.251000       2.749000       1.044000      0.6441000       1.629000
  1 1 1     -18   15    7 o    2.086000      0.5460000       1.523000 0.7072000       2.648000      0.8320000      -1.125000       1.092000
  1 1 1     -18   15    8 o    2.474000      0.6105000       2.616000 0.8458000       2.331000      0.8807000      0.2853000       1.221000
  1 1 1     -18   15    9 o    6.870000      0.3451000       6.725000 0.4933000       7.015000      0.4827000     -0.2896000      0.6902000
  1 1 1     -18   15   10 o    6.596000      0.3720000       7.554000 0.4725000       5.638000      0.5748000       1.916000      0.7441000
  1 1 1     -18   15   11 o    1.883000      0.5749000       1.917000 0.8219000       1.849000      0.8040000      0.6727000E-01   1.150000
  1 1 1     -18   15   12 o    1.934000      0.5740000       2.303000 0.8926000       1.565000      0.7219000      0.7387000       1.148000
  1 1 1     -18   15   13 o    2.787000      0.6185000       2.011000 0.8417000       3.563000      0.9066000      -1.552000       1.237000
  1 1 1     -18   15   14 o    3.415000      0.6206000       3.560000 0.8456000       3.270000      0.9087000      0.2905000       1.241000
  1 1 1     -18   15   15 o    4.487000      0.5208000       4.351000 0.7307000       4.624000      0.7423000     -0.2738000       1.042000
  1 1 1     -18   15   16 o    7.735000      0.3598000       7.431000 0.5023000       8.039000      0.5152000     -0.6073000      0.7195000
  1 1 1     -18   15   17 f    2.409000      0.6336000       2.768000 0.9168000       2.051000      0.8747000      0.7172000       1.267000
  1 1 1     -18   15   18 o    2.147000      0.6324000       2.220000 0.9015000       2.073000      0.8871000      0.1468000       1.265000
  1 1 1     -18   15   19 o    2.046000      0.6209000       1.964000 0.8436000       2.128000      0.9112000     -0.1642000       1.242000
  1 1 1     -18   15   20 o    2.592000      0.6460000       3.042000 0.9272000       2.142000      0.8998000      0.9000000       1.292000
  1 1 1     -18   15   21 o    2.007000      0.6083000       1.805000 0.8145000       2.209000      0.9038000     -0.4035000       1.217000
  1 1 1     -18   16    1 f    6.697000      0.3100000       6.695000 0.4460000       6.699000      0.4306000     -0.3444000E-02  0.6200000
  1 1 1     -18   16    2 o    5.384000      0.3710000       5.635000 0.4978000       5.132000      0.5503000      0.5032000      0.7420000
  1 1 1     -18   16    3 o    3.134000      0.7536000       3.885000 1.283000       2.383000      0.7908000       1.502000       1.507000
  1 1 1     -18   16    4 o    3.437000      0.8127000       3.425000 1.229000       3.450000       1.063000     -0.2521000E-01   1.625000
  1 1 1     -18   16    5 o    4.924000      0.4235000       4.680000 0.6455000       5.167000      0.5484000     -0.4869000      0.8470000
  1 1 1     -18   16    6 o    6.052000      0.3764000       5.785000 0.5513000       6.320000      0.5127000     -0.5353000      0.7529000
  1 1 1     -18   16    7 o    4.919000      0.4455000       4.942000 0.6230000       4.897000      0.6369000      0.4459000E-01  0.8910000
  1 1 1     -18   16    8 o    5.144000      0.4447000       5.353000 0.6056000       4.935000      0.6513000      0.4181000      0.8893000
  1 1 1     -18   16    9 o    7.155000      0.3445000       6.889000 0.4988000       7.422000      0.4753000     -0.5326000      0.6890000
  1 1 1     -18   16   10 o    3.916000      0.5586000       3.820000 0.7786000       4.011000      0.8011000     -0.1908000       1.117000
  1 1 1     -18   16   11 o    3.711000      0.5630000       2.410000 0.9252000       5.013000      0.6420000      -2.603000       1.126000
  1 1 1     -18   16   12 o    2.817000      0.6535000       2.914000 0.9185000       2.719000      0.9299000      0.1943000       1.307000
  1 1 1     -18   16   13 o    3.300000      0.5564000       1.903000 0.8156000       4.696000      0.7571000      -2.793000       1.113000
  1 1 1     -18   16   14 o    2.619000      0.6310000       2.109000 0.8614000       3.128000      0.9224000      -1.018000       1.262000
  1 1 1     -18   16   15 o    3.035000      0.6581000       3.125000 0.9134000       2.945000      0.9475000      0.1799000       1.316000
  1 1 1     -18   16   16 o    2.334000      0.6511000       2.334000 0.9037000       2.335000      0.9375000     -0.6175000E-03   1.302000
  1 1 1     -18   16   17 o    6.519000      0.3952000       6.248000 0.5691000       6.790000      0.5486000     -0.5420000      0.7905000
  1 1 1     -18   16   18 o    3.872000      0.7561000       3.568000 0.9048000       4.177000       1.212000     -0.6089000       1.512000
  1 1 1     -18   16   19 o    3.335000      0.6740000       3.259000 0.9377000       3.411000      0.9686000     -0.1519000       1.348000
  1 1 1     -18   17    1 o    2.530000      0.7626000       3.039000 1.233000       2.021000      0.8972000       1.019000       1.525000
  1 1 1     -18   17    2 f    3.480000      0.7655000       4.912000 1.241000       2.048000      0.8972000       2.864000       1.531000
  1 1 1     -18   17    3 o    2.090000      0.6007000       2.190000 0.8692000       1.990000      0.8293000      0.1993000       1.201000
  1 1 1     -18   17    4 o    1.874000      0.8069000       1.874000 0.8069000                  ?              ?              ?              ?
  1 1 1     -18   17    5 o    7.625000      0.3226000       7.620000 0.4656000       7.629000      0.4467000     -0.9028000E-02  0.6452000
  1 1 1     -18   17    6 o    5.464000      0.6691000       4.306000 1.239000       6.622000      0.5042000      -2.316000       1.338000
  1 1 1     -18   17    7 o    3.140000      0.6212000       3.246000 0.8843000       3.034000      0.8728000      0.2123000       1.242000
  1 1 1     -18   17    8 o    2.368000      0.6394000       2.492000 0.9130000       2.243000      0.8954000      0.2492000       1.279000
  1 1 1     -18   17    9 o    2.801000      0.6125000       3.509000 0.8630000       2.094000      0.8694000       1.415000       1.225000
  1 1 1     -18   17   10 o    2.175000      0.6079000       2.567000 0.9065000       1.784000      0.8103000      0.7821000       1.216000
  1 1 1     -18   17   11 o    3.672000      0.6206000       3.565000 0.8989000       3.778000      0.8559000     -0.2129000       1.241000
  1 1 1     -18   17   12 o    2.993000      0.6149000       3.800000 0.8453000       2.186000      0.8932000       1.614000       1.230000
  1 1 1     -18   17   13 o    4.912000      0.5153000       5.074000 0.6814000       4.751000      0.7732000      0.3223000       1.031000
  1 1 1     -18   17   14 o    2.340000      0.6408000       2.546000 0.9252000       2.134000      0.8869000      0.4126000       1.282000
  1 1 1     -18   17   15 f    3.809000      0.6117000       3.917000 0.8418000       3.702000      0.8876000      0.2154000       1.223000
  1 1 1     -18   17   16 o    1.849000      0.5821000       1.472000 0.7050000       2.227000      0.9265000     -0.7545000       1.164000
  1 1 1     -18   17   17 o    2.746000      0.6571000       2.982000 0.9195000       2.510000      0.9389000      0.4715000       1.314000
  1 1 1     -18   17   18 o    2.133000      0.5663000       2.460000 0.8323000       1.805000      0.7680000      0.6546000       1.133000
  1 1 1     -18   18    1 o    4.298000      0.5328000       5.093000 0.6343000       3.503000      0.8563000       1.590000       1.066000
  1 1 1     -18   18    2 o    5.953000      0.3729000       5.844000 0.5366000       6.063000      0.5179000     -0.2185000      0.7458000
  1 1 1     -18   18    3 o    5.099000      0.4329000       4.999000 0.6227000       5.200000      0.6014000     -0.2007000      0.8657000
  1 1 1     -18   18    4 o    3.036000      0.8979000       3.036000 0.8979000                  ?              ?              ?              ?
  1 1 1     -18   18    5 o    5.293000      0.4398000       5.209000 0.6365000       5.377000      0.6071000     -0.1685000      0.8796000
  1 1 1     -18   18    6 o    2.418000      0.8844000                  ?       ?   2.418000      0.8844000                  ?              ?
  1 1 1     -18   18    7 o    1.929000      0.5994000       1.903000 0.8459000       1.954000      0.8493000     -0.5046000E-01   1.199000
  1 1 1     -18   18    8 o    2.040000      0.5899000       2.598000 0.9429000       1.482000      0.7093000       1.115000       1.180000
  1 1 1     -18   18    9 o    5.217000      0.4548000       5.031000 0.6834000       5.403000      0.6002000     -0.3718000      0.9095000
  1 1 1     -18   18   10 o    2.431000      0.6596000       2.468000 0.9354000       2.394000      0.9301000      0.7362000E-01   1.319000
  1 1 1     -18   18   11 o    2.398000      0.6390000       2.059000 0.8688000       2.736000      0.9374000     -0.6765000       1.278000
  1 1 1     -18   18   12 o    3.000000      0.6332000       3.660000 0.8522000       2.341000      0.9368000       1.319000       1.266000
  1 1 1     -18   18   13 o    4.929000      0.5136000       4.841000 0.7389000       5.017000      0.7135000     -0.1760000       1.027000
  1 1 1     -18   18   14 o    6.391000      0.4166000       6.845000 0.5612000       5.937000      0.6157000      0.9079000      0.8331000
  1 1 1     -18   18   15 o    5.376000      0.5123000       5.991000 0.6272000       4.760000      0.8102000       1.231000       1.025000
  1 1 1     -18   18   16 o    3.268000      0.6690000       3.538000 0.9316000       2.999000      0.9603000      0.5385000       1.338000
  1 1 1     -18   19    1 o    2.646000      0.6539000       2.845000 0.9520000       2.446000      0.8966000      0.3990000       1.308000
  1 1 1     -18   19    2 o    1.525000      0.5144000       1.618000 0.7649000       1.431000      0.6879000      0.1876000       1.029000
  1 1 1     -18   19    3 o    4.249000      0.5815000       4.117000 0.8706000       4.380000      0.7711000     -0.2639000       1.163000
  1 1 1     -18   19    4 o    2.939000      0.6586000       2.764000 0.9271000       3.113000      0.9358000     -0.3495000       1.317000
  1 1 1     -18   19    5 o    2.299000      0.6289000       2.079000 0.8732000       2.518000      0.9053000     -0.4390000       1.258000
  1 1 1     -18   19    6 o    2.146000      0.6183000       1.790000 0.8165000       2.502000      0.9287000     -0.7123000       1.237000
  1 1 1     -18   19    7 o    2.216000      0.5945000       1.601000 0.7548000       2.832000      0.9187000      -1.232000       1.189000
  1 1 1     -18   19    8 o    2.523000      0.6624000       2.447000 0.9459000       2.598000      0.9275000     -0.1502000       1.325000
  1 1 1     -18   19    9 o    5.107000      0.4971000       5.592000 0.6343000       4.622000      0.7657000      0.9695000      0.9943000
  1 1 1     -18   19   10 o    2.002000      0.6095000       1.892000 0.8376000       2.112000      0.8856000     -0.2192000       1.219000
  1 1 1     -18   19   11 o    4.003000      0.6029000       3.037000 0.9703000       4.969000      0.7159000      -1.932000       1.206000
  1 1 1     -18   19   12 o    6.146000      0.4480000       5.440000 0.6891000       6.852000      0.5725000      -1.412000      0.8959000
  1 1 1     -18   19   13 o    4.576000      0.5610000       4.170000 0.8368000       4.982000      0.7474000     -0.8113000       1.122000
  1 1 1     -18   19   14 o    2.867000       1.096000                  ?       ?   2.867000       1.096000                  ?              ?
  1 1 1     -18   20    1 o    3.319000      0.6863000       3.607000 0.9795000       3.030000      0.9617000      0.5771000       1.373000
  1 1 1     -18   20    2 o    3.452000      0.6313000       4.616000 0.8814000       2.288000      0.9040000       2.328000       1.263000
  1 1 1     -18   20    3 o    3.019000      0.6076000       1.971000 0.8751000       4.066000      0.8432000      -2.094000       1.215000
  1 1 1     -18   20    4 o    2.513000      0.6712000       2.315000 0.9395000       2.711000      0.9587000     -0.3960000       1.342000
  1 1 1     -18   20    5 o    3.048000      0.6941000       3.048000 1.001000       3.049000      0.9618000     -0.1021000E-02   1.388000
  1 1 1     -18   20    6 o    2.907000      0.6732000       2.753000 0.9754000       3.061000      0.9283000     -0.3076000       1.346000
  1 1 1     -18   20    7 f    2.569000      0.6630000       2.221000 0.9398000       2.916000      0.9354000     -0.6953000       1.326000
  1 1 1     -18   20    8 o    2.069000      0.6250000       1.823000 0.8357000       2.315000      0.9296000     -0.4928000       1.250000
  1 1 1     -18   20    9 o    3.928000      0.6379000       3.143000 1.003000       4.714000      0.7885000      -1.571000       1.276000
  1 1 1     -18   20   10 o    2.109000      0.6387000       1.999000 0.8852000       2.218000      0.9209000     -0.2190000       1.277000
  1 1 1     -18   20   11 o    4.541000       1.194000       4.541000 1.194000                  ?              ?              ?              ?
  1 1 1     -18   21    1 f    1.800000      0.5895000       1.868000 0.8594000       1.733000      0.8071000      0.1358000       1.179000
  1 1 1     -18   21    2 o    2.158000      0.6410000       2.094000 0.9030000       2.221000      0.9098000     -0.1268000       1.282000
  1 1 1     -18   21    3 o    1.656000      0.5508000       1.664000 0.7834000       1.647000      0.7744000      0.1636000E-01   1.102000
  1 1 1     -18   21    4 o    2.455000      0.6883000       2.421000 0.9769000       2.489000      0.9700000     -0.6740000E-01   1.377000
  1 1 1     -18   21    5 o    3.110000       1.020000       3.110000 1.020000                  ?              ?              ?              ?
  1 1 1     -18   21    6 o    2.058000      0.6318000       1.787000 0.8281000       2.329000      0.9543000     -0.5415000       1.264000
  1 1 1     -17  -37    1 o    3.633000      0.7304000       3.606000 0.9899000       3.659000       1.074000     -0.5324000E-01   1.461000
  1 1 1     -17  -37    2 o    1.893000      0.6133000       1.994000 0.8863000       1.793000      0.8481000      0.2007000       1.227000
  1 1 1     -17  -37    3 o    2.037000      0.6476000       2.272000 0.9672000       1.801000      0.8613000      0.4712000       1.295000
  1 1 1     -17  -37    4 o    3.614000      0.8447000       3.347000 1.409000       3.881000      0.9319000     -0.5339000       1.689000
  1 1 1     -17  -37    5 f    2.435000       1.117000       2.435000 1.117000                  ?              ?              ?              ?
  1 1 1     -17  -36    1 o    3.039000      0.7118000       2.728000 0.9767000       3.349000       1.036000     -0.6206000       1.424000
  1 1 1     -17  -36    2 o    2.297000      0.6865000       2.375000 0.9773000       2.219000      0.9643000      0.1566000       1.373000
  1 1 1     -17  -36    3 o    3.303000      0.7598000       3.291000 1.061000       3.314000       1.088000     -0.2337000E-01   1.520000
  1 1 1     -17  -36    4 o    2.413000      0.6766000       2.795000 0.9926000       2.032000      0.9199000      0.7632000       1.353000
  1 1 1     -17  -36    5 o    2.916000      0.7272000       2.638000 0.9887000       3.194000       1.067000     -0.5554000       1.454000
  1 1 1     -17  -36    6 o    3.419000      0.7310000       3.019000 1.072000       3.820000      0.9942000     -0.8014000       1.462000
  1 1 1     -17  -36    7 o    3.827000      0.7351000       3.317000 1.075000       4.338000       1.002000      -1.022000       1.470000
  1 1 1     -17  -36    8 o    3.253000      0.6949000       3.959000 0.9236000       2.547000       1.039000       1.412000       1.390000
  1 1 1     -17  -36    9 o    2.535000      0.6864000       3.210000 1.063000       1.859000      0.8685000       1.352000       1.373000
  1 1 1     -17  -35    1 o    3.175000      0.6367000       2.098000 0.9155000       4.252000      0.8850000      -2.154000       1.273000
  1 1 1     -17  -35    2 o    3.280000      0.7092000       2.897000 1.004000       3.663000       1.002000     -0.7656000       1.418000
  1 1 1     -17  -35    3 o    2.273000      0.6738000       2.095000 0.9141000       2.450000      0.9903000     -0.3543000       1.348000
  1 1 1     -17  -35    4 o    2.704000      0.6841000       3.284000 0.9986000       2.123000      0.9352000       1.160000       1.368000
  1 1 1     -17  -35    5 o    2.300000      0.6525000       2.724000 0.9790000       1.877000      0.8628000      0.8479000       1.305000
  1 1 1     -17  -35    6 o    3.793000      0.6665000       4.323000 0.8563000       3.262000       1.021000       1.062000       1.333000
  1 1 1     -17  -35    7 o    1.911000      0.6118000       2.372000 0.9920000       1.451000      0.7164000      0.9208000       1.224000
  1 1 1     -17  -35    8 o    3.823000      0.6809000       4.669000 0.8475000       2.978000       1.066000       1.691000       1.362000
  1 1 1     -17  -35    9 o    3.790000      0.6696000       4.290000 0.8665000       3.290000       1.021000      0.9998000       1.339000
  1 1 1     -17  -35   10 o    4.059000      0.6694000       5.201000 0.8061000       2.916000       1.069000       2.285000       1.339000
  1 1 1     -17  -35   11 o    2.492000      0.7171000       2.447000 1.002000       2.537000       1.026000     -0.9029000E-01   1.434000
  1 1 1     -17  -35   12 o    3.664000      0.7473000       3.562000 1.068000       3.767000       1.045000     -0.2045000       1.495000
  1 1 1     -17  -35   13 o    3.162000       1.294000       3.162000 1.294000                  ?              ?              ?              ?
  1 1 1     -17  -34    1 o    2.518000      0.7702000       3.015000 1.270000       2.021000      0.8720000      0.9944000       1.540000
  1 1 1     -17  -34    2 o    2.960000      0.6756000       2.659000 0.9538000       3.262000      0.9571000     -0.6023000       1.351000
  1 1 1     -17  -34    3 o    2.176000      0.6319000       1.840000 0.8332000       2.512000      0.9501000     -0.6727000       1.264000
  1 1 1     -17  -34    4 o    3.239000      0.6591000       3.743000 0.8811000       2.736000      0.9804000       1.007000       1.318000
  1 1 1     -17  -34    5 o    2.600000      0.6550000       1.985000 0.8551000       3.215000      0.9924000      -1.230000       1.310000
  1 1 1     -17  -34    6 o    2.330000      0.6645000       2.343000 0.9172000       2.316000      0.9619000      0.2707000E-01   1.329000
  1 1 1     -17  -34    7 o    3.455000      0.6649000       3.978000 0.8530000       2.932000       1.020000       1.046000       1.330000
  1 1 1     -17  -34    8 o    4.989000      0.5855000       5.419000 0.7213000       4.560000      0.9224000      0.8584000       1.171000
  1 1 1     -17  -34    9 o    5.621000      0.5155000       5.434000 0.7241000       5.807000      0.7340000     -0.3724000       1.031000
  1 1 1     -17  -34   10 o    2.429000      0.6791000       2.536000 0.9632000       2.322000      0.9575000      0.2141000       1.358000
  1 1 1     -17  -34   11 o    4.101000      0.6661000       4.357000 0.9009000       3.845000      0.9813000      0.5120000       1.332000
  1 1 1     -17  -34   12 f    3.302000      0.7185000       3.098000 0.9794000       3.505000       1.052000     -0.4074000       1.437000
  1 1 1     -17  -34   13 o    2.011000      0.6412000       2.041000 0.9146000       1.981000      0.8989000      0.6034000E-01   1.282000
  1 1 1     -17  -34   14 o    2.132000      0.6585000       1.877000 0.8532000       2.387000       1.003000     -0.5096000       1.317000
  1 1 1     -17  -34   15 o    3.237000      0.8449000       3.443000 1.303000       3.031000       1.076000      0.4122000       1.690000
  1 1 1     -17  -33    1 f    2.698000      0.6381000       3.093000 0.9363000       2.303000      0.8673000      0.7897000       1.276000
  1 1 1     -17  -33    2 f    6.404000      0.3577000       7.033000 0.4867000       5.775000      0.5243000       1.258000      0.7154000
  1 1 1     -17  -33    3 o    5.214000      0.4152000       4.879000 0.6178000       5.549000      0.5548000     -0.6696000      0.8303000
  1 1 1     -17  -33    4 o    4.175000      0.5444000       4.794000 0.6786000       3.556000      0.8514000       1.238000       1.089000
  1 1 1     -17  -33    5 o    5.178000      0.4593000       5.534000 0.5850000       4.823000      0.7083000      0.7106000      0.9186000
  1 1 1     -17  -33    6 o    4.295000      0.5480000       4.205000 0.7612000       4.385000      0.7886000     -0.1802000       1.096000
  1 1 1     -17  -33    7 o    2.489000      0.6234000       3.126000 0.9321000       1.852000      0.8280000       1.274000       1.247000
  1 1 1     -17  -33    8 o    2.482000      0.6389000       1.985000 0.8357000       2.979000      0.9668000     -0.9940000       1.278000
  1 1 1     -17  -33    9 o    4.320000      0.5539000       3.684000 0.8616000       4.955000      0.6963000      -1.271000       1.108000
  1 1 1     -17  -33   10 o    5.437000      0.5219000       6.202000 0.6190000       4.672000      0.8404000       1.530000       1.044000
  1 1 1     -17  -33   11 f    2.591000      0.6968000       2.614000 0.9595000       2.568000       1.011000      0.4559000E-01   1.394000
  1 1 1     -17  -33   12 o    3.050000      0.7158000       3.014000 1.007000       3.086000       1.017000     -0.7232000E-01   1.432000
  1 1 1     -17  -33   13 o    2.475000      0.6841000       2.208000 0.9173000       2.742000       1.015000     -0.5337000       1.368000
  1 1 1     -17  -33   14 o    2.293000      0.6568000       2.792000 1.017000       1.793000      0.8315000      0.9990000       1.314000
  1 1 1     -17  -33   15 o    2.837000      0.7211000       2.783000 0.9999000       2.890000       1.039000     -0.1068000       1.442000
  1 1 1     -17  -33   16 o    1.993000      0.6382000       2.255000 0.9690000       1.731000      0.8308000      0.5234000       1.276000
  1 1 1     -17  -33   17 o    2.126000      0.6639000       1.846000 0.8517000       2.406000       1.019000     -0.5601000       1.328000
  1 1 1     -17  -32    1 f    8.989000      0.4393000       8.674000 0.7903000       9.303000      0.3838000     -0.6283000      0.8786000
  1 1 1     -17  -32    2 o    8.375000      0.2894000       8.774000 0.3904000       7.976000      0.4272000      0.7984000      0.5787000
  1 1 1     -17  -32    3 o    2.293000      0.6056000       2.330000 0.8309000       2.256000      0.8811000      0.7425000E-01   1.211000
  1 1 1     -17  -32    4 o    2.742000      0.5614000       3.478000 0.7360000       2.007000      0.8479000       1.471000       1.123000
  1 1 1     -17  -32    5 o    3.098000      0.5916000       2.563000 0.8483000       3.633000      0.8248000      -1.070000       1.183000
  1 1 1     -17  -32    6 o    3.829000      0.5445000       3.999000 0.6892000       3.659000      0.8431000      0.3402000       1.089000
  1 1 1     -17  -32    7 f    4.114000      0.7200000       3.388000 1.291000       4.839000      0.6368000      -1.450000       1.440000
  1 1 1     -17  -32    8 o    4.561000      0.4999000       4.665000 0.6642000       4.456000      0.7472000      0.2094000      0.9997000
  1 1 1     -17  -32    9 o    3.300000      0.6298000       3.692000 0.8283000       2.908000      0.9489000      0.7833000       1.260000
  1 1 1     -17  -32   10 f    3.384000      0.6226000       3.745000 0.8244000       3.023000      0.9333000      0.7219000       1.245000
  1 1 1     -17  -32   11 o    2.516000      0.6671000       2.513000 0.9455000       2.519000      0.9412000     -0.6159000E-02   1.334000
  1 1 1     -17  -32   12 o    3.858000      0.6735000       4.088000 0.8853000       3.628000       1.015000      0.4599000       1.347000
  1 1 1     -17  -32   13 o    3.042000      0.6258000       4.164000 0.8998000       1.921000      0.8698000       2.243000       1.252000
  1 1 1     -17  -32   14 o    3.258000      0.7448000       3.087000 1.064000       3.429000       1.043000     -0.3425000       1.490000
  1 1 1     -17  -32   15 o    2.877000      0.7215000       2.671000 1.012000       3.082000       1.029000     -0.4105000       1.443000
  1 1 1     -17  -32   16 o    3.325000      0.6932000       4.115000 0.9228000       2.535000       1.035000       1.580000       1.386000
  1 1 1     -17  -32   17 o    3.932000      0.7103000       4.544000 0.8922000       3.320000       1.106000       1.224000       1.421000
  1 1 1     -17  -32   18 o    3.149000      0.7364000       2.736000 1.002000       3.562000       1.080000     -0.8262000       1.473000
  1 1 1     -17  -32   19 o    3.569000      0.9328000       4.195000 1.363000       2.943000       1.274000       1.251000       1.866000
  1 1 1     -17  -31    1 f    6.715000      0.2960000       7.140000 0.3903000       6.289000      0.4450000      0.8512000      0.5919000
  1 1 1     -17  -31    2 o    2.838000      0.5822000       3.114000 0.7791000       2.562000      0.8652000      0.5517000       1.164000
  1 1 1     -17  -31    3 o    3.873000      0.4961000       3.895000 0.6662000       3.851000      0.7353000      0.4456000E-01  0.9922000
  1 1 1     -17  -31    4 o    2.541000      0.5988000       2.557000 0.8133000       2.526000      0.8792000      0.3116000E-01   1.198000
  1 1 1     -17  -31    5 o    2.578000      0.6190000       2.639000 0.8432000       2.516000      0.9063000      0.1225000       1.238000
  1 1 1     -17  -31    6 f    2.649000      0.6099000       2.390000 0.8242000       2.908000      0.8993000     -0.5174000       1.220000
  1 1 1     -17  -31    7 o    3.122000      0.5670000       3.820000 0.6943000       2.425000      0.8967000       1.394000       1.134000
  1 1 1     -17  -31    8 o    3.663000      0.5403000       3.928000 0.6500000       3.397000      0.8632000      0.5319000       1.081000
  1 1 1     -17  -31    9 o    2.181000      0.5970000       2.024000 0.8153000       2.338000      0.8722000     -0.3133000       1.194000
  1 1 1     -17  -31   10 o    1.984000      0.5963000       1.832000 0.8103000       2.137000      0.8749000     -0.3056000       1.193000
  1 1 1     -17  -31   11 o    2.468000      0.6152000       3.226000 0.9354000       1.710000      0.7993000       1.516000       1.230000
  1 1 1     -17  -31   12 o    1.949000      0.6011000       1.885000 0.8139000       2.012000      0.8849000     -0.1275000       1.202000
  1 1 1     -17  -31   13 o    2.789000      0.6703000       3.258000 0.9384000       2.320000      0.9574000      0.9378000       1.341000
  1 1 1     -17  -31   14 o    1.906000      0.6000000       1.756000 0.7969000       2.057000      0.8972000     -0.3011000       1.200000
  1 1 1     -17  -31   15 o    4.246000      0.6528000       4.530000 0.8635000       3.962000      0.9792000      0.5682000       1.306000
  1 1 1     -17  -31   16 o    3.577000      0.7059000       3.744000 0.9259000       3.410000       1.066000      0.3339000       1.412000
  1 1 1     -17  -31   17 o    2.744000      0.7392000       2.777000 1.025000       2.711000       1.065000      0.6647000E-01   1.478000
  1 1 1     -17  -31   18 o    3.727000      0.7055000       3.543000 0.9700000       3.912000       1.025000     -0.3687000       1.411000
  1 1 1     -17  -31   19 o    2.902000      0.6580000       3.886000 0.9683000       1.918000      0.8912000       1.968000       1.316000
  1 1 1     -17  -31   20 o    2.534000      0.7286000       2.480000 0.9949000       2.587000       1.065000     -0.1072000       1.457000
  1 1 1     -17  -30    1 o    4.465000      0.5190000       4.761000 0.5746000       4.169000      0.8644000      0.5922000       1.038000
  1 1 1     -17  -30    2 o    2.638000      0.6314000       2.635000 0.8439000       2.642000      0.9393000     -0.7115000E-02   1.263000
  1 1 1     -17  -30    3 o    2.108000      0.5953000       1.841000 0.7421000       2.375000      0.9311000     -0.5339000       1.191000
  1 1 1     -17  -30    4 o    4.272000      0.5454000       4.038000 0.5829000       4.507000      0.9221000     -0.4694000       1.091000
  1 1 1     -17  -30    5 o    2.495000      0.5150000       1.517000 0.6701000       3.474000      0.7822000      -1.958000       1.030000
  1 1 1     -17  -30    6 o    1.725000      0.5198000       1.659000 0.7022000       1.791000      0.7666000     -0.1317000       1.040000
  1 1 1     -17  -30    7 o    2.045000      0.5635000       1.967000 0.7599000       2.124000      0.8323000     -0.1575000       1.127000
  1 1 1     -17  -30    8 f    3.340000      0.5357000       2.584000 0.8083000       4.096000      0.7032000      -1.512000       1.071000
  1 1 1     -17  -30    9 o    2.825000      0.6200000       2.573000 0.8887000       3.076000      0.8647000     -0.5031000       1.240000
  1 1 1     -17  -30   10 o    2.065000      0.6021000       1.719000 0.7780000       2.410000      0.9191000     -0.6914000       1.204000
  1 1 1     -17  -30   11 o    2.181000      0.5854000       1.534000 0.7094000       2.829000      0.9313000      -1.295000       1.171000
  1 1 1     -17  -30   12 o    1.993000      0.6019000       1.923000 0.8294000       2.063000      0.8725000     -0.1404000       1.204000
  1 1 1     -17  -30   13 o    2.307000      0.6472000       2.513000 0.9320000       2.102000      0.8983000      0.4106000       1.294000
  1 1 1     -17  -30   14 o    2.812000      0.6756000       2.575000 0.8954000       3.049000       1.012000     -0.4739000       1.351000
  1 1 1     -17  -30   15 o    3.617000      0.6567000       2.843000 0.9747000       4.392000      0.8804000      -1.549000       1.313000
  1 1 1     -17  -30   16 o    3.411000      0.6916000       3.272000 0.9266000       3.549000       1.027000     -0.2775000       1.383000
  1 1 1     -17  -30   17 o    2.382000      0.6836000       2.171000 0.9154000       2.592000       1.015000     -0.4210000       1.367000
  1 1 1     -17  -30   18 o    3.835000      0.6715000       4.120000 0.8625000       3.550000       1.029000      0.5700000       1.343000
  1 1 1     -17  -30   19 o    3.252000      0.7110000       3.544000 0.9324000       2.961000       1.074000      0.5830000       1.422000
  1 1 1     -17  -30   20 o    4.537000      0.6605000       4.615000 0.8434000       4.460000       1.017000      0.1548000       1.321000
  1 1 1     -17  -30   21 f    4.534000      0.6585000       5.128000 0.8216000       3.941000       1.029000       1.187000       1.317000
  1 1 1     -17  -30   22 o    2.707000      0.8236000       2.319000 1.083000       3.095000       1.241000     -0.7761000       1.647000
  1 1 1     -17  -29    1 o    1.328000      0.4238000       1.641000 0.6791000       1.016000      0.5072000      0.6249000      0.8476000
  1 1 1     -17  -29    2 o    3.184000      0.5041000       2.787000 0.7281000       3.580000      0.6973000     -0.7933000       1.008000
  1 1 1     -17  -29    3 o    4.294000      0.3985000       4.412000 0.5189000       4.177000      0.6050000      0.2353000      0.7970000
  1 1 1     -17  -29    4 o    2.804000      0.5188000       3.381000 0.6540000       2.227000      0.8056000       1.154000       1.038000
  1 1 1     -17  -29    5 o    2.472000      0.5677000       1.419000 0.6502000       3.525000      0.9308000      -2.106000       1.135000
  1 1 1     -17  -29    6 o    4.489000      0.5229000       4.389000 0.6336000       4.590000      0.8321000     -0.2009000       1.046000
  1 1 1     -17  -29    7 o    3.811000      0.6074000       4.632000 0.6346000       2.990000       1.036000       1.643000       1.215000
  1 1 1     -17  -29    8 o    1.992000      0.5810000       2.078000 0.8459000       1.907000      0.7967000      0.1716000       1.162000
  1 1 1     -17  -29    9 o    5.780000      0.4032000       6.417000 0.4951000       5.144000      0.6364000       1.273000      0.8063000
  1 1 1     -17  -29   10 o    2.684000      0.6135000       3.203000 0.8507000       2.166000      0.8843000       1.037000       1.227000
  1 1 1     -17  -29   11 o    3.112000      0.5474000       4.134000 0.6502000       2.091000      0.8808000       2.043000       1.095000
  1 1 1     -17  -29   12 o    5.156000      0.4487000       5.236000 0.6027000       5.076000      0.6649000      0.1597000      0.8974000
  1 1 1     -17  -29   13 o    3.491000      0.6387000       3.517000 0.8597000       3.464000      0.9448000      0.5379000E-01   1.277000
  1 1 1     -17  -29   14 o    2.937000      0.6489000       2.901000 0.8684000       2.974000      0.9644000     -0.7342000E-01   1.298000
  1 1 1     -17  -29   15 o    2.971000      0.6632000       3.362000 0.9011000       2.580000      0.9734000      0.7819000       1.326000
  1 1 1     -17  -29   16 o    3.353000      0.6630000       3.186000 0.8780000       3.520000      0.9936000     -0.3343000       1.326000
  1 1 1     -17  -29   17 o    3.544000      0.6690000       3.426000 0.9079000       3.661000      0.9829000     -0.2358000       1.338000
  1 1 1     -17  -29   18 o    2.452000      0.6649000       2.590000 0.9327000       2.315000      0.9480000      0.2751000       1.330000
  1 1 1     -17  -29   19 o    2.613000      0.6947000       2.518000 0.9519000       2.708000       1.012000     -0.1896000       1.389000
  1 1 1     -17  -29   20 o    2.305000      0.6512000       2.893000 1.011000       1.718000      0.8207000       1.175000       1.302000
  1 1 1     -17  -29   21 o    2.001000      0.6312000       1.917000 0.8650000       2.085000      0.9194000     -0.1680000       1.262000
  1 1 1     -17  -29   22 o    2.406000      0.6867000       2.535000 0.9773000       2.277000      0.9649000      0.2584000       1.373000
  1 1 1     -17  -29   23 o    2.413000      0.6953000       2.171000 0.9331000       2.656000       1.031000     -0.4852000       1.391000
  1 1 1     -17  -28    1 o    3.328000      0.4203000       3.351000 0.5357000       3.305000      0.6478000      0.4557000E-01  0.8406000
  1 1 1     -17  -28    2 o    6.567000      0.5403000       6.192000 0.9070000       6.941000      0.5872000     -0.7486000       1.081000
  1 1 1     -17  -28    3 o    6.027000      0.5297000       6.302000 0.8500000       5.752000      0.6321000      0.5491000       1.059000
  1 1 1     -17  -28    4 o    2.496000      0.7047000       2.476000 1.053000       2.517000      0.9369000     -0.4138000E-01   1.409000
  1 1 1     -17  -28    5 o    1.454000      0.4643000       1.705000 0.7234000       1.204000      0.5823000      0.5007000      0.9286000
  1 1 1     -17  -28    6 o    5.844000      0.3204000       5.427000 0.4751000       6.260000      0.4301000     -0.8330000      0.6409000
  1 1 1     -17  -28    7 o    6.645000      0.3114000       6.749000 0.4341000       6.542000      0.4467000      0.2070000      0.6228000
  1 1 1     -17  -28    8 o    4.705000      0.4304000       4.900000 0.5653000       4.511000      0.6490000      0.3887000      0.8607000
  1 1 1     -17  -28    9 f    4.200000      0.6388000       4.438000 0.7102000       3.963000       1.062000      0.4753000       1.278000
  1 1 1     -17  -28   10 o    5.539000      0.5369000       5.231000 0.6492000       5.847000      0.8553000     -0.6162000       1.074000
  1 1 1     -17  -28   11 o    4.811000      0.4534000       4.877000 0.6693000       4.744000      0.6117000      0.1325000      0.9067000
  1 1 1     -17  -28   12 o    2.543000      0.6251000       2.466000 0.8474000       2.620000      0.9193000     -0.1548000       1.250000
  1 1 1     -17  -28   13 o    2.172000      0.6158000       2.360000 0.8892000       1.983000      0.8521000      0.3770000       1.232000
  1 1 1     -17  -28   14 o    5.315000      0.4434000       5.546000 0.5649000       5.085000      0.6837000      0.4608000      0.8869000
  1 1 1     -17  -28   15 o    3.179000      0.6728000       3.240000 0.9165000       3.118000      0.9852000      0.1225000       1.346000
  1 1 1     -17  -28   16 o    3.099000      0.6796000       2.965000 0.9013000       3.233000       1.017000     -0.2677000       1.359000
  1 1 1     -17  -28   17 o    4.818000      0.5548000       4.883000 0.7344000       4.753000      0.8319000      0.1301000       1.110000
  1 1 1     -17  -28   18 o    2.730000      0.6859000       2.780000 0.9280000       2.681000       1.010000      0.9933000E-01   1.372000
  1 1 1     -17  -28   19 o    2.069000      0.6411000       2.018000 0.8755000       2.120000      0.9368000     -0.1012000       1.282000
  1 1 1     -17  -28   20 o    2.402000      0.6907000       2.642000 0.9995000       2.162000      0.9535000      0.4797000       1.381000
  1 1 1     -17  -28   21 o    2.709000      0.6956000       2.171000 0.9142000       3.247000       1.049000      -1.076000       1.391000
  1 1 1     -17  -28   22 o    1.806000      0.5751000       2.255000 0.9365000       1.358000      0.6679000      0.8961000       1.150000
  1 1 1     -17  -28   23 o    3.495000      0.6891000       2.971000 0.9747000       4.018000      0.9745000      -1.047000       1.378000
  1 1 1     -17  -28   24 o    2.014000      0.6231000       1.636000 0.7687000       2.392000      0.9808000     -0.7558000       1.246000
  1 1 1     -17  -27    1 o    3.091000      0.4849000       3.537000 0.5779000       2.646000      0.7789000      0.8905000      0.9698000
  1 1 1     -17  -27    2 o    3.732000      0.4106000       3.856000 0.5213000       3.607000      0.6344000      0.2483000      0.8211000
  1 1 1     -17  -27    3 o    1.955000      0.5254000       1.916000 0.6995000       1.993000      0.7841000     -0.7694000E-01   1.051000
  1 1 1     -17  -27    4 o    7.826000      0.2659000       7.738000 0.3706000       7.914000      0.3813000     -0.1760000      0.5318000
  1 1 1     -17  -27    5 o    2.836000      0.5412000       3.011000 0.7133000       2.661000      0.8142000      0.3504000       1.082000
  1 1 1     -17  -27    6 o    5.234000      0.6862000       4.697000 1.212000       5.771000      0.6439000      -1.075000       1.372000
  1 1 1     -17  -27    7 o    4.321000      0.7217000       4.903000 1.074000       3.739000      0.9643000       1.163000       1.443000
  1 1 1     -17  -27    8 o    1.849000      0.6169000       2.219000 1.005000       1.479000      0.7164000      0.7406000       1.234000
  1 1 1     -17  -27    9 o    2.510000      0.5835000       2.792000 0.8159000       2.229000      0.8345000      0.5627000       1.167000
  1 1 1     -17  -27   10 o    4.830000      0.4301000       4.631000 0.6279000       5.028000      0.5879000     -0.3970000      0.8601000
  1 1 1     -17  -27   11 o    2.866000      0.5841000       3.606000 0.7582000       2.126000      0.8887000       1.480000       1.168000
  1 1 1     -17  -27   12 o    5.260000      0.5774000       5.140000 0.6091000       5.381000      0.9812000     -0.2407000       1.155000
  1 1 1     -17  -27   13 o    6.093000      0.5029000       5.939000 0.5845000       6.247000      0.8185000     -0.3080000       1.006000
  1 1 1     -17  -27   14 o    6.441000      0.3984000       6.963000 0.4806000       5.919000      0.6355000       1.045000      0.7968000
  1 1 1     -17  -27   15 o    1.694000      0.5675000       1.401000 0.6691000       1.986000      0.9169000     -0.5851000       1.135000
  1 1 1     -17  -27   16 o    8.200000      0.3440000       8.178000 0.4564000       8.222000      0.5149000     -0.4376000E-01  0.6881000
  1 1 1     -17  -27   17 o    5.461000      0.4450000       5.216000 0.6141000       5.706000      0.6443000     -0.4899000      0.8900000
  1 1 1     -17  -27   18 o    2.198000      0.6469000       2.187000 0.8985000       2.209000      0.9310000     -0.2279000E-01   1.294000
  1 1 1     -17  -27   19 o    4.518000      0.5773000       4.776000 0.7264000       4.260000      0.8976000      0.5156000       1.155000
  1 1 1     -17  -27   20 o    4.121000      0.6136000       5.041000 0.6710000       3.200000       1.028000       1.841000       1.227000
  1 1 1     -17  -27   21 o    3.321000      0.6743000       2.521000 0.9433000       4.120000      0.9638000      -1.599000       1.349000
  1 1 1     -17  -27   22 o    1.714000      0.8082000       1.714000 0.8082000                  ?              ?              ?              ?
  1 1 1     -17  -27   23 o    3.075000      0.7328000       3.343000 1.016000       2.806000       1.056000      0.5369000       1.466000
  1 1 1     -17  -27   24 o    4.159000       1.017000                  ?       ?   4.159000       1.017000                  ?              ?
  1 1 1     -17  -27   25 o    3.451000      0.7180000       2.689000 1.026000       4.212000       1.005000      -1.523000       1.436000
  1 1 1     -17  -26    1 o    3.161000      0.4433000       4.341000 0.4611000       1.980000      0.7573000       2.361000      0.8866000
  1 1 1     -17  -26    2 o    5.451000      0.2923000       5.790000 0.3735000       5.112000      0.4498000      0.6783000      0.5846000
  1 1 1     -17  -26    3 o    2.366000      0.5308000       2.046000 0.7170000       2.686000      0.7828000     -0.6397000       1.062000
  1 1 1     -17  -26    4 o    2.620000      0.5494000       2.930000 0.7617000       2.309000      0.7920000      0.6203000       1.099000
  1 1 1     -17  -26    5 o    11.24000      0.2466000       10.72000 0.3501000       11.75000      0.3474000      -1.031000      0.4932000
  1 1 1     -17  -26    6 o    4.166000      0.4089000       4.109000 0.5253000       4.223000      0.6268000     -0.1142000      0.8178000
  1 1 1     -17  -26    7 o    7.076000      0.2848000       7.448000 0.3716000       6.704000      0.4317000      0.7438000      0.5696000
  1 1 1     -17  -26    8 o    13.66000      0.2680000       13.63000 0.3801000       13.68000      0.3778000     -0.4904000E-01  0.5359000
  1 1 1     -17  -26    9 o    2.545000      0.7387000       2.857000 1.143000       2.232000      0.9355000      0.6252000       1.477000
  1 1 1     -17  -26   10 o    3.666000      0.7794000       3.288000 1.209000       4.044000      0.9835000     -0.7554000       1.559000
  1 1 1     -17  -26   11 o    2.819000      0.5962000       2.924000 0.8087000       2.715000      0.8761000      0.2089000       1.192000
  1 1 1     -17  -26   12 o    3.756000      0.5483000       4.601000 0.5948000       2.912000      0.9213000       1.688000       1.097000
  1 1 1     -17  -26   13 o    6.817000      0.3492000       6.932000 0.4508000       6.701000      0.5333000      0.2309000      0.6984000
  1 1 1     -17  -26   14 o    4.772000      0.6012000       4.304000 0.7478000       5.240000      0.9417000     -0.9363000       1.202000
  1 1 1     -17  -26   15 o    3.475000      0.7261000       4.006000 0.8447000       2.944000       1.181000       1.063000       1.452000
  1 1 1     -17  -26   16 o    7.773000      0.6033000       7.164000 1.096000       8.382000      0.5038000      -1.218000       1.207000
  1 1 1     -17  -26   17 o    1.945000      0.5945000       2.229000 0.8870000       1.660000      0.7917000      0.5688000       1.189000
  1 1 1     -17  -26   18 o    3.275000      0.6826000       3.144000 0.9370000       3.406000      0.9927000     -0.2616000       1.365000
  1 1 1     -17  -26   19 o    2.432000      0.6571000       2.759000 0.9381000       2.104000      0.9203000      0.6550000       1.314000
  1 1 1     -17  -26   20 o    3.194000      0.7300000       3.332000 0.9777000       3.056000       1.084000      0.2757000       1.460000
  1 1 1     -17  -26   21 o    3.581000      0.7376000       3.164000 1.026000       3.998000       1.060000     -0.8340000       1.475000
  1 1 1     -17  -26   22 f    2.092000      0.6254000       2.583000 0.9884000       1.601000      0.7666000      0.9811000       1.251000
  1 1 1     -17  -26   23 f    3.022000      0.7390000       2.833000 1.006000       3.212000       1.083000     -0.3791000       1.478000
  1 1 1     -17  -26   24 o    2.904000       1.060000                  ?       ?   2.904000       1.060000                  ?              ?
  1 1 1     -17  -26   25 o    2.673000      0.6987000       2.639000 0.9916000       2.708000      0.9846000     -0.6955000E-01   1.397000
  1 1 1     -17  -26   26 o    1.946000      0.6110000       2.195000 0.9268000       1.696000      0.7965000      0.4982000       1.222000
  1 1 1     -17  -25    1 o    3.942000      0.3875000       3.744000 0.5455000       4.140000      0.5506000     -0.3967000      0.7751000
  1 1 1     -17  -25    2 o    1.946000      0.5113000       1.947000 0.7010000       1.945000      0.7445000      0.2351000E-02   1.023000
  1 1 1     -17  -25    3 o    4.498000      0.3820000       5.063000 0.4511000       3.933000      0.6167000       1.130000      0.7641000
  1 1 1     -17  -25    4 o    2.428000      0.5104000       2.982000 0.6859000       1.874000      0.7561000       1.108000       1.021000
  1 1 1     -17  -25    5 o    6.060000      0.2917000       5.997000 0.3968000       6.123000      0.4275000     -0.1260000      0.5833000
  1 1 1     -17  -25    6 o    9.469000      0.2547000       9.458000 0.3563000       9.481000      0.3640000     -0.2239000E-01  0.5094000
  1 1 1     -17  -25    7 o    11.38000      0.2545000       11.24000 0.3582000       11.52000      0.3618000     -0.2844000      0.5091000
  1 1 1     -17  -25    8 o    7.842000      0.2778000       8.055000 0.3756000       7.628000      0.4093000      0.4265000      0.5556000
  1 1 1     -17  -25    9 o    4.275000      0.4444000       4.546000 0.5667000       4.005000      0.6846000      0.5405000      0.8887000
  1 1 1     -17  -25   10 o    6.051000      0.3492000       5.925000 0.4702000       6.177000      0.5165000     -0.2522000      0.6984000
  1 1 1     -17  -25   11 o    2.362000      0.6895000       2.879000 1.155000       1.844000      0.7540000       1.035000       1.379000
  1 1 1     -17  -25   12 f    1.956000      0.6403000       2.043000 0.9464000       1.870000      0.8627000      0.1724000       1.281000
  1 1 1     -17  -25   13 o    3.458000      0.6012000       3.156000 0.6852000       3.761000      0.9881000     -0.6054000       1.202000
  1 1 1     -17  -25   14 o    2.278000      0.6126000       2.383000 0.8444000       2.173000      0.8876000      0.2096000       1.225000
  1 1 1     -17  -25   15 o    3.474000      0.5851000       2.591000 0.8742000       4.357000      0.7778000      -1.765000       1.170000
  1 1 1     -17  -25   16 o    4.119000      0.7142000       4.893000 0.7172000       3.346000       1.235000       1.547000       1.428000
  1 1 1     -17  -25   17 o    7.996000      0.4487000       7.156000 0.5608000       8.836000      0.7006000      -1.680000      0.8974000
  1 1 1     -17  -25   18 o    2.202000      0.6507000       2.238000 0.9127000       2.166000      0.9276000      0.7236000E-01   1.301000
  1 1 1     -17  -25   19 o    6.191000      0.4494000       6.139000 0.6038000       6.243000      0.6659000     -0.1046000      0.8989000
  1 1 1     -17  -25   20 o    5.619000      0.4980000       5.263000 0.7077000       5.976000      0.7009000     -0.7135000      0.9961000
  1 1 1     -17  -25   21 o    2.622000      0.7011000       2.298000 0.9224000       2.945000       1.056000     -0.6473000       1.402000
  1 1 1     -17  -25   22 o    3.568000      0.6351000       4.625000 0.7542000       2.511000       1.022000       2.114000       1.270000
  1 1 1     -17  -25   23 o    2.746000      0.7105000       2.780000 0.9609000       2.711000       1.047000      0.6926000E-01   1.421000
  1 1 1     -17  -25   24 o    2.614000      0.6639000       1.885000 0.8449000       3.342000       1.024000      -1.457000       1.328000
  1 1 1     -17  -25   25 f    2.191000      0.6542000       2.312000 0.9400000       2.071000      0.9100000      0.2405000       1.308000
  1 1 1     -17  -25   26 o    3.627000      0.6378000       4.633000 0.8071000       2.620000      0.9879000       2.012000       1.276000
  1 1 1     -17  -25   27 o    2.743000      0.6622000       3.408000 0.9805000       2.079000      0.8902000       1.329000       1.324000
  1 1 1     -17  -24    1 o    2.388000      0.4708000       1.624000 0.6775000       3.153000      0.6539000      -1.528000      0.9416000
  1 1 1     -17  -24    2 o    10.82000      0.2386000       10.88000 0.3410000       10.76000      0.3339000      0.1192000      0.4773000
  1 1 1     -17  -24    3 o    3.564000      0.4290000       3.535000 0.5741000       3.593000      0.6376000     -0.5793000E-01  0.8580000
  1 1 1     -17  -24    4 o    5.621000      0.3099000       5.474000 0.4159000       5.768000      0.4596000     -0.2936000      0.6199000
  1 1 1     -17  -24    5 o    8.756000      0.2505000       9.122000 0.3477000       8.390000      0.3605000      0.7324000      0.5009000
  1 1 1     -17  -24    6 o    2.511000      0.5515000       2.565000 0.7487000       2.456000      0.8101000      0.1094000       1.103000
  1 1 1     -17  -24    7 o    5.640000      0.3203000       5.619000 0.4117000       5.661000      0.4907000     -0.4164000E-01  0.6405000
  1 1 1     -17  -24    8 o    4.285000      0.3971000       4.027000 0.5431000       4.543000      0.5796000     -0.5163000      0.7942000
  1 1 1     -17  -24    9 o    7.006000      0.2940000       7.375000 0.3847000       6.636000      0.4447000      0.7389000      0.5880000
  1 1 1     -17  -24   10 o    10.74000      0.2659000       10.60000 0.3608000       10.88000      0.3906000     -0.2782000      0.5317000
  1 1 1     -17  -24   11 o    7.036000      0.3128000       7.279000 0.4096000       6.793000      0.4730000      0.4864000      0.6257000
  1 1 1     -17  -24   12 o    4.213000      0.4611000       3.860000 0.6628000       4.567000      0.6413000     -0.7066000      0.9222000
  1 1 1     -17  -24   13 o    4.666000      0.5918000       4.830000 1.019000       4.501000      0.6025000      0.3290000       1.184000
  1 1 1     -17  -24   14 o    4.570000      0.6996000       4.183000 1.140000       4.958000      0.8117000     -0.7745000       1.399000
  1 1 1     -17  -24   15 o    3.512000      0.6558000       3.927000 0.7231000       3.098000       1.094000      0.8285000       1.312000
  1 1 1     -17  -24   16 o    2.346000      0.6186000       2.566000 0.8562000       2.125000      0.8930000      0.4410000       1.237000
  1 1 1     -17  -24   17 f    4.570000      0.5673000       5.101000 0.6674000       4.038000      0.9176000       1.063000       1.135000
  1 1 1     -17  -24   18 o    2.534000      0.7045000       2.777000 0.9648000       2.291000       1.027000      0.4858000       1.409000
  1 1 1     -17  -24   19 o    3.483000      0.7705000       2.787000 0.9728000       4.178000       1.195000      -1.391000       1.541000
  1 1 1     -17  -24   20 o    2.447000      0.6700000       2.710000 0.9487000       2.185000      0.9463000      0.5243000       1.340000
  1 1 1     -17  -24   21 o    4.495000      0.6181000       4.020000 0.8938000       4.971000      0.8539000     -0.9509000       1.236000
  1 1 1     -17  -24   22 o    6.025000      0.5281000       7.058000 0.5663000       4.991000      0.8914000       2.067000       1.056000
  1 1 1     -17  -24   23 o    2.560000      0.6960000       2.712000 0.9945000       2.409000      0.9740000      0.3025000       1.392000
  1 1 1     -17  -24   24 o    3.626000      0.6675000       4.256000 0.8420000       2.996000       1.036000       1.261000       1.335000
  1 1 1     -17  -24   25 o    3.404000      0.7170000       3.323000 1.021000       3.485000       1.006000     -0.1617000       1.434000
  1 1 1     -17  -24   26 o    2.739000      0.7052000       2.376000 0.9809000       3.103000       1.013000     -0.7275000       1.410000
  1 1 1     -17  -24   27 o    3.078000      0.6684000       2.296000 0.9572000       3.860000      0.9331000      -1.564000       1.337000
  1 1 1     -17  -24   28 o    2.497000      0.7273000       2.602000 1.093000       2.392000      0.9594000      0.2104000       1.455000
  1 1 1     -17  -23    1 o    10.32000      0.2317000       10.64000 0.3238000       10.01000      0.3316000      0.6324000      0.4635000
  1 1 1     -17  -23    2 o    11.52000      0.2339000       11.59000 0.3262000       11.45000      0.3354000      0.1355000      0.4678000
  1 1 1     -17  -23    3 o    2.375000      0.5307000       1.923000 0.7401000       2.827000      0.7608000     -0.9036000       1.061000
  1 1 1     -17  -23    4 o    4.990000      0.3289000       4.791000 0.4485000       5.189000      0.4813000     -0.3977000      0.6579000
  1 1 1     -17  -23    5 o    7.717000      0.2591000       8.031000 0.3512000       7.402000      0.3809000      0.6292000      0.5181000
  1 1 1     -17  -23    6 o    8.641000      0.2537000       8.974000 0.3539000       8.308000      0.3635000      0.6657000      0.5073000
  1 1 1     -17  -23    7 o    6.226000      0.2971000       6.235000 0.3934000       6.218000      0.4453000      0.1689000E-01  0.5942000
  1 1 1     -17  -23    8 o    8.947000      0.2532000       8.806000 0.3518000       9.088000      0.3643000     -0.2828000      0.5065000
  1 1 1     -17  -23    9 o    5.337000      0.3424000       5.811000 0.4344000       4.863000      0.5293000      0.9477000      0.6847000
  1 1 1     -17  -23   10 o    4.790000      0.4073000       5.253000 0.4758000       4.328000      0.6613000      0.9250000      0.8147000
  1 1 1     -17  -23   11 o    2.877000      0.5736000       2.596000 0.7919000       3.158000      0.8299000     -0.5623000       1.147000
  1 1 1     -17  -23   12 o    6.532000      0.3367000       6.986000 0.4329000       6.078000      0.5157000      0.9081000      0.6733000
  1 1 1     -17  -23   13 o    2.790000      0.5862000       3.384000 0.7908000       2.195000      0.8656000       1.190000       1.172000
  1 1 1     -17  -23   14 o    3.578000      0.5621000       3.560000 0.7595000       3.597000      0.8289000     -0.3758000E-01   1.124000
  1 1 1     -17  -23   15 o    4.164000      0.7837000       3.614000 1.240000       4.715000      0.9590000      -1.101000       1.567000
  1 1 1     -17  -23   16 o    10.22000      0.4578000       10.69000 0.6981000       9.753000      0.5923000      0.9336000      0.9155000
  1 1 1     -17  -23   17 o    4.219000      0.5824000       4.046000 0.7950000       4.391000      0.8512000     -0.3449000       1.165000
  1 1 1     -17  -23   18 o    2.734000      0.6864000       2.827000 0.9423000       2.640000      0.9984000      0.1871000       1.373000
  1 1 1     -17  -23   19 o    2.301000      0.6882000       2.434000 0.9553000       2.167000      0.9910000      0.2670000       1.376000
  1 1 1     -17  -23   20 o    2.612000      0.7599000       2.553000 0.9836000       2.671000       1.159000     -0.1185000       1.520000
  1 1 1     -17  -23   21 f    2.298000      0.6682000       2.060000 0.8783000       2.536000       1.007000     -0.4763000       1.336000
  1 1 1     -17  -23   22 o    3.147000      0.7201000       3.066000 0.9855000       3.227000       1.050000     -0.1604000       1.440000
  1 1 1     -17  -23   23 o    2.437000      0.9709000       2.437000 0.9709000                  ?              ?              ?              ?
  1 1 1     -17  -23   24 o    2.163000      0.6232000       2.718000 0.9740000       1.607000      0.7778000       1.111000       1.246000
  1 1 1     -17  -23   25 o    2.501000      0.9908000                  ?       ?   2.501000      0.9908000                  ?              ?
  1 1 1     -17  -23   26 o    2.249000      0.6532000       1.976000 0.8728000       2.523000      0.9720000     -0.5467000       1.306000
  1 1 1     -17  -23   27 o    3.005000      0.6477000       3.910000 0.9400000       2.100000      0.8915000       1.811000       1.295000
  1 1 1     -17  -23   28 f    1.825000      0.5887000       1.846000 0.8394000       1.803000      0.8256000      0.4288000E-01   1.177000
  1 1 1     -17  -22    1 o    5.045000      0.2896000       5.644000 0.3521000       4.446000      0.4600000       1.198000      0.5793000
  1 1 1     -17  -22    2 o    7.335000      0.2479000       7.428000 0.3382000       7.243000      0.3626000      0.1844000      0.4958000
  1 1 1     -17  -22    3 o    6.838000      0.2610000       6.498000 0.3701000       7.178000      0.3681000     -0.6794000      0.5220000
  1 1 1     -17  -22    4 o    7.946000      0.2459000       7.529000 0.3397000       8.363000      0.3557000     -0.8336000      0.4919000
  1 1 1     -17  -22    5 o    12.30000      0.2505000       12.28000 0.3526000       12.32000      0.3558000     -0.4178000E-01  0.5009000
  1 1 1     -17  -22    6 o    8.713000      0.2536000       8.885000 0.3508000       8.542000      0.3664000      0.3431000      0.5072000
  1 1 1     -17  -22    7 o    3.812000      0.4322000       3.276000 0.6534000       4.347000      0.5657000      -1.071000      0.8643000
  1 1 1     -17  -22    8 o    7.867000      0.2719000       8.087000 0.3635000       7.648000      0.4043000      0.4384000      0.5437000
  1 1 1     -17  -22    9 o    2.456000      0.5493000       1.941000 0.7404000       2.971000      0.8117000      -1.030000       1.099000
  1 1 1     -17  -22   10 o    4.074000      0.4316000       3.569000 0.6465000       4.580000      0.5721000      -1.011000      0.8633000
  1 1 1     -17  -22   11 f    7.279000      0.2830000       7.359000 0.3924000       7.200000      0.4078000      0.1593000      0.5659000
  1 1 1     -17  -22   12 o    2.416000      0.6071000       2.138000 0.8271000       2.693000      0.8889000     -0.5554000       1.214000
  1 1 1     -17  -22   13 o    2.734000      0.6250000       2.375000 0.8627000       3.094000      0.9046000     -0.7191000       1.250000
  1 1 1     -17  -22   14 f    7.159000      0.3264000       7.231000 0.4374000       7.086000      0.4847000      0.1456000      0.6529000
  1 1 1     -17  -22   15 o    5.334000      0.4256000       5.028000 0.6051000       5.640000      0.5988000     -0.6117000      0.8513000
  1 1 1     -17  -22   16 o    5.817000      0.3822000       6.226000 0.4944000       5.407000      0.5831000      0.8185000      0.7645000
  1 1 1     -17  -22   17 o    4.209000      0.7409000       5.356000 1.030000       3.063000       1.065000       2.293000       1.482000
  1 1 1     -17  -22   18 o    2.433000      0.7404000       2.522000 1.102000       2.343000      0.9895000      0.1794000       1.481000
  1 1 1     -17  -22   19 o    5.792000      0.4234000       5.591000 0.6019000       5.993000      0.5956000     -0.4024000      0.8468000
  1 1 1     -17  -22   20 o    3.040000      0.6712000       3.077000 0.9187000       3.004000      0.9788000      0.7304000E-01   1.342000
  1 1 1     -17  -22   21 o    7.481000      0.4832000       6.821000 0.6384000       8.141000      0.7255000      -1.321000      0.9664000
  1 1 1     -17  -22   22 o    2.513000      0.6774000       1.922000 0.8365000       3.104000       1.066000      -1.182000       1.355000
  1 1 1     -17  -22   23 o    3.241000      0.7367000       3.634000 0.9304000       2.848000       1.143000      0.7861000       1.473000
  1 1 1     -17  -22   24 o    3.103000      0.7168000       3.465000 0.9916000       2.741000       1.035000      0.7239000       1.434000
  1 1 1     -17  -22   25 o    2.276000      0.9284000                  ?       ?   2.276000      0.9284000                  ?              ?
  1 1 1     -17  -22   26 o    2.945000      0.6575000       2.244000 0.9440000       3.646000      0.9154000      -1.402000       1.315000
  1 1 1     -17  -22   27 o    2.134000      0.6296000       2.666000 0.9978000       1.603000      0.7681000       1.063000       1.259000
  1 1 1     -17  -22   28 o    2.247000      0.6270000       2.893000 0.9936000       1.602000      0.7648000       1.291000       1.254000
  1 1 1     -17  -22   29 o    3.499000      0.6090000       2.674000 0.9225000       4.323000      0.7953000      -1.649000       1.218000
  1 1 1     -17  -21    1 o    8.372000      0.2265000       8.304000 0.3136000       8.440000      0.3268000     -0.1364000      0.4529000
  1 1 1     -17  -21    2 o    6.195000      0.2474000       5.933000 0.3479000       6.458000      0.3518000     -0.5242000      0.4948000
  1 1 1     -17  -21    3 o    6.986000      0.2531000       6.949000 0.3527000       7.023000      0.3632000     -0.7404000E-01  0.5063000
  1 1 1     -17  -21    4 o    4.175000      0.3630000       4.491000 0.4480000       3.859000      0.5713000      0.6324000      0.7260000
  1 1 1     -17  -21    5 f    14.17000      0.2557000       14.11000 0.3588000       14.23000      0.3645000     -0.1137000      0.5114000
  1 1 1     -17  -21    6 o    4.752000      0.3316000       4.475000 0.4677000       5.029000      0.4702000     -0.5536000      0.6632000
  1 1 1     -17  -21    7 o    8.741000      0.2540000       8.708000 0.3535000       8.775000      0.3648000     -0.6685000E-01  0.5080000
  1 1 1     -17  -21    8 o    7.297000      0.2792000       7.547000 0.3635000       7.047000      0.4239000      0.4998000      0.5584000
  1 1 1     -17  -21    9 o    2.244000      0.5510000       2.672000 0.7884000       1.815000      0.7699000      0.8572000       1.102000
  1 1 1     -17  -21   10 o    9.360000      0.2630000       9.216000 0.3627000       9.504000      0.3810000     -0.2878000      0.5260000
  1 1 1     -17  -21   11 o    12.38000      0.2599000       12.36000 0.3634000       12.40000      0.3715000     -0.4284000E-01  0.5197000
  1 1 1     -17  -21   12 o    5.727000      0.3477000       5.657000 0.4920000       5.798000      0.4914000     -0.1408000      0.6954000
  1 1 1     -17  -21   13 o    10.36000      0.2686000       10.06000 0.3713000       10.65000      0.3882000     -0.5939000      0.5372000
  1 1 1     -17  -21   14 o    12.22000      0.2676000       12.50000 0.3827000       11.93000      0.3742000      0.5753000      0.5353000
  1 1 1     -17  -21   15 o    11.11000      0.2808000       11.09000 0.3928000       11.13000      0.4015000     -0.3816000E-01  0.5617000
  1 1 1     -17  -21   16 o    2.450000      0.5918000       2.960000 0.8453000       1.940000      0.8285000       1.020000       1.184000
  1 1 1     -17  -21   17 o    7.287000      0.3483000       7.695000 0.4497000       6.880000      0.5321000      0.8154000      0.6967000
  1 1 1     -17  -21   18 o    3.478000      0.7294000       2.386000 1.063000       4.570000      0.9993000      -2.183000       1.459000
  1 1 1     -17  -21   19 o    4.594000      0.7888000       5.079000 1.136000       4.109000       1.095000      0.9701000       1.578000
  1 1 1     -17  -21   20 o    1.860000      0.5868000       1.781000 0.7986000       1.939000      0.8599000     -0.1582000       1.174000
  1 1 1     -17  -21   21 o    3.835000      0.6094000       3.544000 0.8646000       4.126000      0.8591000     -0.5819000       1.219000
  1 1 1     -17  -21   22 o    4.886000      0.7008000       5.862000 0.7471000       3.910000       1.186000       1.952000       1.402000
  1 1 1     -17  -21   23 o    3.746000      0.6794000       4.612000 0.9389000       2.879000      0.9821000       1.733000       1.359000
  1 1 1     -17  -21   24 o    4.011000      0.6720000       4.530000 0.8443000       3.491000       1.046000       1.040000       1.344000
  1 1 1     -17  -21   25 o    3.433000      0.7197000       3.260000 1.041000       3.606000      0.9937000     -0.3464000       1.439000
  1 1 1     -17  -21   26 o    6.693000      0.4406000       6.547000 0.6628000       6.838000      0.5806000     -0.2915000      0.8811000
  1 1 1     -17  -21   27 o    2.804000      0.7014000       2.798000 1.005000       2.810000      0.9782000     -0.1253000E-01   1.403000
  1 1 1     -17  -21   28 o    2.197000      0.6268000       2.686000 0.9668000       1.707000      0.7982000      0.9790000       1.254000
  1 1 1     -17  -21   29 o    2.651000      0.6622000       2.292000 0.9197000       3.009000      0.9531000     -0.7175000       1.324000
  1 1 1     -17  -21   30 o    2.303000      0.6400000       1.891000 0.8363000       2.714000      0.9689000     -0.8230000       1.280000
  1 1 1     -17  -20    1 o    4.936000      0.3686000       4.913000 0.4339000       4.959000      0.5960000     -0.4590000E-01  0.7372000
  1 1 1     -17  -20    2 o    3.662000      0.3872000       2.967000 0.5916000       4.356000      0.4998000      -1.389000      0.7744000
  1 1 1     -17  -20    3 o    2.419000      0.4769000       1.732000 0.6823000       3.106000      0.6665000      -1.374000      0.9538000
  1 1 1     -17  -20    4 o    4.176000      0.3541000       4.230000 0.4657000       4.122000      0.5336000      0.1077000      0.7082000
  1 1 1     -17  -20    5 o    6.521000      0.2651000       6.930000 0.3498000       6.113000      0.3984000      0.8173000      0.5302000
  1 1 1     -17  -20    6 o    8.864000      0.2405000       8.869000 0.3316000       8.859000      0.3485000      0.9960000E-02  0.4810000
  1 1 1     -17  -20    7 o    5.161000      0.3495000       4.706000 0.5074000       5.616000      0.4808000     -0.9106000      0.6990000
  1 1 1     -17  -20    8 o    8.571000      0.2620000       8.652000 0.3600000       8.490000      0.3807000      0.1622000      0.5239000
  1 1 1     -17  -20    9 o    2.296000      0.5535000       1.858000 0.7557000       2.733000      0.8090000     -0.8758000       1.107000
  1 1 1     -17  -20   10 o    8.730000      0.2640000       8.342000 0.3756000       9.117000      0.3712000     -0.7754000      0.5281000
  1 1 1     -17  -20   11 o    7.875000      0.2916000       8.234000 0.3923000       7.515000      0.4315000      0.7192000      0.5832000
  1 1 1     -17  -20   12 o    3.669000      0.5191000       3.097000 0.7680000       4.240000      0.6986000      -1.143000       1.038000
  1 1 1     -17  -20   13 o    3.184000      0.5678000       3.284000 0.7859000       3.083000      0.8197000      0.2014000       1.136000
  1 1 1     -17  -20   14 o    3.728000      0.5361000       4.388000 0.6160000       3.069000      0.8777000       1.319000       1.072000
  1 1 1     -17  -20   15 o    11.88000      0.2668000       12.08000 0.3746000       11.68000      0.3800000      0.3978000      0.5336000
  1 1 1     -17  -20   16 o    9.825000      0.2825000       9.938000 0.3838000       9.712000      0.4147000      0.2263000      0.5650000
  1 1 1     -17  -20   17 o    3.469000      0.5877000       3.408000 0.8236000       3.531000      0.8384000     -0.1231000       1.175000
  1 1 1     -17  -20   18 o    1.716000      0.5450000       1.544000 0.7197000       1.887000      0.8186000     -0.3422000       1.090000
  1 1 1     -17  -20   19 o    3.456000      0.8043000       3.738000 1.172000       3.173000       1.102000      0.5652000       1.609000
  1 1 1     -17  -20   20 o    5.597000      0.6767000       5.103000 1.092000       6.091000      0.7993000     -0.9885000       1.353000
  1 1 1     -17  -20   21 o    4.246000      0.5867000       4.906000 0.6858000       3.585000      0.9522000       1.321000       1.173000
  1 1 1     -17  -20   22 o    4.658000      0.5837000       5.907000 0.6110000       3.409000      0.9948000       2.498000       1.167000
  1 1 1     -17  -20   23 o    5.806000      0.6466000       6.566000 0.6970000       5.045000       1.089000       1.521000       1.293000
  1 1 1     -17  -20   24 o    3.616000      0.9544000                  ?       ?   3.616000      0.9544000                  ?              ?
  1 1 1     -17  -20   25 o    5.675000      0.4867000       5.859000 0.6600000       5.490000      0.7156000      0.3696000      0.9735000
  1 1 1     -17  -20   26 o    2.706000      0.7084000       2.174000 0.9542000       3.238000       1.047000      -1.064000       1.417000
  1 1 1     -17  -20   27 o    4.213000      0.6573000       3.828000 1.024000       4.599000      0.8248000     -0.7707000       1.315000
  1 1 1     -17  -20   28 o    2.361000      0.6473000       2.112000 0.8857000       2.610000      0.9441000     -0.4979000       1.295000
  1 1 1     -17  -20   29 o    3.460000      0.6650000       2.663000 0.9960000       4.257000      0.8814000      -1.594000       1.330000
  1 1 1     -17  -20   30 o    2.004000      0.5811000       2.609000 0.9398000       1.399000      0.6838000       1.210000       1.162000
  1 1 1     -17  -19    1 o    5.703000      0.2521000       5.916000 0.3491000       5.489000      0.3639000      0.4270000      0.5042000
  1 1 1     -17  -19    2 o    4.833000      0.3883000       5.131000 0.4438000       4.535000      0.6373000      0.5956000      0.7766000
  1 1 1     -17  -19    3 o    1.709000      0.5242000       1.426000 0.6377000       1.993000      0.8323000     -0.5667000       1.048000
  1 1 1     -17  -19    4 f    3.812000      0.3833000       3.574000 0.5371000       4.050000      0.5470000     -0.4764000      0.7666000
  1 1 1     -17  -19    5 o    4.730000      0.3501000       4.740000 0.4781000       4.720000      0.5115000      0.1957000E-01  0.7001000
  1 1 1     -17  -19    6 o    3.161000      0.4476000       3.390000 0.5759000       2.932000      0.6854000      0.4583000      0.8952000
  1 1 1     -17  -19    7 o    3.823000      0.4173000       3.215000 0.6282000       4.430000      0.5495000      -1.215000      0.8346000
  1 1 1     -17  -19    8 o    13.21000      0.2518000       13.03000 0.3474000       13.39000      0.3647000     -0.3643000      0.5037000
  1 1 1     -17  -19    9 o    8.493000      0.2576000       8.387000 0.3504000       8.599000      0.3777000     -0.2119000      0.5153000
  1 1 1     -17  -19   10 o    4.856000      0.3854000       4.587000 0.5309000       5.126000      0.5587000     -0.5383000      0.7708000
  1 1 1     -17  -19   11 o    7.948000      0.2785000       7.986000 0.3902000       7.909000      0.3974000      0.7738000E-01  0.5570000
  1 1 1     -17  -19   12 o    11.68000      0.2614000       11.14000 0.3659000       12.21000      0.3735000      -1.068000      0.5229000
  1 1 1     -17  -19   13 o    5.848000      0.3493000       5.738000 0.4711000       5.957000      0.5158000     -0.2194000      0.6985000
  1 1 1     -17  -19   14 o    11.77000      0.2653000       12.00000 0.3762000       11.53000      0.3743000      0.4685000      0.5307000
  1 1 1     -17  -19   15 o    10.44000      0.2747000       10.34000 0.3821000       10.53000      0.3948000     -0.1898000      0.5494000
  1 1 1     -17  -19   16 o    8.628000      0.2893000       8.545000 0.4071000       8.711000      0.4112000     -0.1658000      0.5786000
  1 1 1     -17  -19   17 o    5.649000      0.3782000       5.574000 0.5118000       5.723000      0.5568000     -0.1484000      0.7563000
  1 1 1     -17  -19   18 o    10.11000      0.2847000       10.42000 0.3936000       9.803000      0.4114000      0.6118000      0.5694000
  1 1 1     -17  -19   19 o    5.284000      0.4541000       4.928000 0.6541000       5.639000      0.6300000     -0.7108000      0.9082000
  1 1 1     -17  -19   20 o    4.332000      0.7970000       3.720000 1.266000       4.944000      0.9684000      -1.223000       1.594000
  1 1 1     -17  -19   21 o    3.504000      0.8496000       3.954000 1.261000       3.053000       1.139000      0.9003000       1.699000
  1 1 1     -17  -19   22 o    2.519000      0.6693000       2.159000 0.9063000       2.879000      0.9852000     -0.7195000       1.339000
  1 1 1     -17  -19   23 o    4.232000      0.6252000       4.016000 0.8933000       4.449000      0.8748000     -0.4331000       1.250000
  1 1 1     -17  -19   24 o    6.367000      0.7117000       6.367000 0.7117000                  ?              ?              ?              ?
  1 1 1     -17  -19   25 o    5.560000      0.5151000       5.848000 0.6782000       5.271000      0.7755000      0.5778000       1.030000
  1 1 1     -17  -19   26 o    4.869000      0.8281000                  ?       ?   4.869000      0.8281000                  ?              ?
  1 1 1     -17  -19   27 o    5.223000      0.5715000       5.726000 0.7260000       4.721000      0.8828000       1.006000       1.143000
  1 1 1     -17  -19   28 o    2.110000      0.6369000       1.902000 0.8638000       2.318000      0.9361000     -0.4163000       1.274000
  1 1 1     -17  -19   29 o    3.267000      0.6730000       3.608000 0.9171000       2.925000      0.9851000      0.6828000       1.346000
  1 1 1     -17  -19   30 o    2.018000      0.6195000       2.286000 0.9391000       1.749000      0.8082000      0.5373000       1.239000
  1 1 1     -17  -19   31 o    3.092000      0.6916000       3.123000 0.9754000       3.061000      0.9809000      0.6193000E-01   1.383000
  1 1 1     -17  -18    1 o    2.308000      0.4764000       2.099000 0.6619000       2.518000      0.6855000     -0.4189000      0.9529000
  1 1 1     -17  -18    2 o    7.224000      0.2334000       7.223000 0.3294000       7.225000      0.3307000     -0.1789000E-02  0.4667000
  1 1 1     -17  -18    3 o    7.427000      0.2357000       7.462000 0.3247000       7.391000      0.3417000      0.7097000E-01  0.4714000
  1 1 1     -17  -18    4 o    4.173000      0.4738000       4.310000 0.5141000       4.036000      0.7959000      0.2742000      0.9475000
  1 1 1     -17  -18    5 o    5.846000      0.3735000       5.861000 0.4599000       5.831000      0.5887000      0.2951000E-01  0.7471000
  1 1 1     -17  -18    6 o    5.181000      0.3118000       5.291000 0.4146000       5.072000      0.4657000      0.2198000      0.6235000
  1 1 1     -17  -18    7 o    2.678000      0.4980000       1.882000 0.7225000       3.475000      0.6855000      -1.593000      0.9959000
  1 1 1     -17  -18    8 o    5.645000      0.3012000       5.274000 0.4257000       6.017000      0.4261000     -0.7436000      0.6024000
  1 1 1     -17  -18    9 o    5.154000      0.3433000       5.197000 0.4561000       5.111000      0.5131000      0.8648000E-01  0.6865000
  1 1 1     -17  -18   10 o    7.469000      0.2787000       7.492000 0.3832000       7.445000      0.4048000      0.4703000E-01  0.5575000
  1 1 1     -17  -18   11 o    1.543000      0.4956000       1.572000 0.7081000       1.513000      0.6937000      0.5815000E-01  0.9913000
  1 1 1     -17  -18   12 o    2.089000      0.5498000       2.553000 0.8184000       1.626000      0.7345000      0.9268000       1.100000
  1 1 1     -17  -18   13 o    12.31000      0.2595000       12.21000 0.3631000       12.40000      0.3709000     -0.1909000      0.5190000
  1 1 1     -17  -18   14 o    6.570000      0.3255000       6.502000 0.4476000       6.637000      0.4726000     -0.1350000      0.6510000
  1 1 1     -17  -18   15 o    5.753000      0.3493000       5.669000 0.4781000       5.837000      0.5094000     -0.1677000      0.6986000
  1 1 1     -17  -18   16 o    7.468000      0.3027000       7.166000 0.4231000       7.769000      0.4330000     -0.6026000      0.6054000
  1 1 1     -17  -18   17 o    2.169000      0.5555000       2.861000 0.8601000       1.477000      0.7031000       1.384000       1.111000
  1 1 1     -17  -18   18 o    6.103000      0.3831000       6.508000 0.4913000       5.698000      0.5879000      0.8103000      0.7661000
  1 1 1     -17  -18   19 o    3.900000      0.5733000       4.467000 0.7082000       3.332000      0.9016000       1.134000       1.147000
  1 1 1     -17  -18   20 o    2.215000      0.6314000       2.233000 0.8897000       2.196000      0.8960000      0.3743000E-01   1.263000
  1 1 1     -17  -18   21 o    2.655000      0.7392000       2.274000 1.033000       3.037000       1.058000     -0.7630000       1.478000
  1 1 1     -17  -18   22 o    3.814000      0.8150000       3.753000 1.177000       3.874000       1.128000     -0.1205000       1.630000
  1 1 1     -17  -18   23 o    7.174000      0.4082000       7.073000 0.5698000       7.275000      0.5848000     -0.2021000      0.8165000
  1 1 1     -17  -18   24 o    3.833000      0.9600000       3.833000 0.9600000                  ?              ?              ?              ?
  1 1 1     -17  -18   25 o    8.411000      0.5101000       8.279000 0.6546000       8.543000      0.7824000     -0.2637000       1.020000
  1 1 1     -17  -18   26 o    7.144000      0.6171000                  ?       ?   7.144000      0.6171000                  ?              ?
  1 1 1     -17  -18   27 o    2.867000      0.7060000       3.319000 1.025000       2.414000      0.9710000      0.9043000       1.412000
  1 1 1     -17  -18   28 o    2.405000      0.6736000       2.078000 0.9034000       2.732000      0.9995000     -0.6540000       1.347000
  1 1 1     -17  -18   29 o    3.123000      0.7024000       3.195000 0.9858000       3.050000       1.001000      0.1452000       1.405000
  1 1 1     -17  -18   30 o    5.385000      0.4785000       5.071000 0.7240000       5.699000      0.6260000     -0.6277000      0.9571000
  1 1 1     -17  -18   31 o    3.899000      0.6316000       4.166000 0.8717000       3.632000      0.9143000      0.5344000       1.263000
  1 1 1     -17  -17    1 o    11.05000      0.3273000       10.75000 0.4862000       11.35000      0.4385000     -0.5946000      0.6547000
  1 1 1     -17  -17    2 o    8.909000      0.3184000       8.791000 0.4792000       9.026000      0.4195000     -0.2354000      0.6368000
  1 1 1     -17  -17    3 o    4.705000      0.2997000       4.566000 0.4252000       4.843000      0.4224000     -0.2769000      0.5994000
  1 1 1     -17  -17    4 o    12.77000      0.2377000       12.57000 0.3365000       12.96000      0.3359000     -0.3830000      0.4754000
  1 1 1     -17  -17    5 o    2.159000      0.5273000       2.363000 0.6749000       1.956000      0.8104000      0.4071000       1.055000
  1 1 1     -17  -17    6 o    3.859000      0.5042000       4.091000 0.5959000       3.627000      0.8136000      0.4641000       1.008000
  1 1 1     -17  -17    7 o    2.126000      0.5575000       2.395000 0.8184000       1.857000      0.7574000      0.5383000       1.115000
  1 1 1     -17  -17    8 o    5.492000      0.3290000       5.486000 0.4457000       5.499000      0.4841000     -0.1258000E-01  0.6581000
  1 1 1     -17  -17    9 o    4.308000      0.3901000       3.800000 0.5702000       4.816000      0.5325000      -1.016000      0.7802000
  1 1 1     -17  -17   10 o    9.134000      0.2442000       8.919000 0.3443000       9.350000      0.3464000     -0.4311000      0.4884000
  1 1 1     -17  -17   11 o    6.674000      0.3000000       6.289000 0.4458000       7.058000      0.4016000     -0.7697000      0.6000000
  1 1 1     -17  -17   12 o    3.778000      0.5120000       3.879000 0.6742000       3.676000      0.7708000      0.2030000       1.024000
  1 1 1     -17  -17   13 o    10.71000      0.2621000       10.62000 0.3687000       10.81000      0.3726000     -0.1939000      0.5242000
  1 1 1     -17  -17   14 o    5.476000      0.3820000       5.163000 0.5443000       5.789000      0.5361000     -0.6261000      0.7640000
  1 1 1     -17  -17   15 o    8.092000      0.2870000       8.607000 0.3975000       7.578000      0.4140000       1.030000      0.5740000
  1 1 1     -17  -17   16 o    4.338000      0.4627000       3.456000 0.7521000       5.220000      0.5393000      -1.765000      0.9255000
  1 1 1     -17  -17   17 o    2.559000      0.5691000       3.032000 0.7775000       2.086000      0.8313000      0.9459000       1.138000
  1 1 1     -17  -17   18 o    5.817000      0.3819000       5.348000 0.5613000       6.286000      0.5180000     -0.9380000      0.7638000
  1 1 1     -17  -17   19 o    9.434000      0.3001000       9.014000 0.4250000       9.853000      0.4237000     -0.8388000      0.6001000
  1 1 1     -17  -17   20 o    4.700000      0.5019000       5.170000 0.6327000       4.229000      0.7794000      0.9413000       1.004000
  1 1 1     -17  -17   21 o    4.739000      0.4779000       4.175000 0.7416000       5.304000      0.6028000      -1.128000      0.9557000
  1 1 1     -17  -17   22 o    3.026000      0.7838000       3.415000 1.155000       2.638000       1.060000      0.7763000       1.568000
  1 1 1     -17  -17   23 o    3.883000      0.8350000       3.330000 1.253000       4.436000       1.105000      -1.106000       1.670000
  1 1 1     -17  -17   24 o    2.157000      0.6343000       2.639000 0.9879000       1.674000      0.7959000      0.9645000       1.269000
  1 1 1     -17  -17   26 o    6.329000      0.6301000       6.748000 0.7326000       5.910000       1.025000      0.8377000       1.260000
  1 1 1     -17  -17   27 o    7.441000      0.3980000       7.103000 0.5849000       7.779000      0.5400000     -0.6765000      0.7960000
  1 1 1     -17  -17   28 o    2.764000      0.6855000       2.248000 0.9542000       3.281000      0.9846000      -1.033000       1.371000
  1 1 1     -17  -17   29 o    3.848000      0.6326000       4.069000 0.8765000       3.627000      0.9123000      0.4415000       1.265000
  1 1 1     -17  -17   30 o    6.279000      0.4430000       6.906000 0.5860000       5.651000      0.6647000       1.255000      0.8861000
  1 1 1     -17  -17   31 o    3.074000      0.6595000       2.652000 0.9648000       3.495000      0.8993000     -0.8432000       1.319000
  1 1 1     -17  -17   32 o    3.502000      0.6674000       3.919000 0.9289000       3.084000      0.9586000      0.8345000       1.335000
  1 1 1     -17  -16    1 o    1.978000      0.4893000       1.959000 0.6803000       1.996000      0.7034000     -0.3680000E-01  0.9786000
  1 1 1     -17  -16    2 o    3.112000      0.5141000       2.322000 0.9130000       3.902000      0.4732000      -1.580000       1.028000
  1 1 1     -17  -16    3 o    2.072000      0.5904000       2.219000 0.8769000       1.925000      0.7908000      0.2945000       1.181000
  1 1 1     -17  -16    4 o    12.56000      0.3378000       12.39000 0.4963000       12.74000      0.4584000     -0.3517000      0.6756000
  1 1 1     -17  -16    5 o    6.435000      0.2600000       6.425000 0.3505000       6.444000      0.3840000     -0.1892000E-01  0.5199000
  1 1 1     -17  -16    6 o    5.587000      0.2824000       5.527000 0.4004000       5.647000      0.3984000     -0.1203000      0.5649000
  1 1 1     -17  -16    7 o    2.765000      0.6019000       2.764000 0.8062000       2.765000      0.8939000     -0.5999000E-03   1.204000
  1 1 1     -17  -16    8 o    9.312000      0.3226000       8.816000 0.4345000       9.808000      0.4769000     -0.9918000      0.6451000
  1 1 1     -17  -16    9 o    11.76000      0.2465000       11.55000 0.3445000       11.97000      0.3526000     -0.4286000      0.4930000
  1 1 1     -17  -16   10 o    5.901000      0.3170000       5.626000 0.4495000       6.176000      0.4471000     -0.5500000      0.6340000
  1 1 1     -17  -16   11 f    6.693000      0.2763000       6.746000 0.3775000       6.640000      0.4036000      0.1058000      0.5526000
  1 1 1     -17  -16   12 o    4.457000      0.4188000       4.370000 0.5897000       4.545000      0.5948000     -0.1751000      0.8376000
  1 1 1     -17  -16   13 o    12.52000      0.2572000       12.29000 0.3581000       12.75000      0.3692000     -0.4563000      0.5143000
  1 1 1     -17  -16   14 o    15.98000      0.3493000       15.71000 0.3975000       16.25000      0.5745000     -0.5360000      0.6986000
  1 1 1     -17  -16   15 o    7.371000      0.3028000       7.303000 0.4171000       7.438000      0.4390000     -0.1343000      0.6055000
  1 1 1     -17  -16   16 o    5.388000      0.3931000       5.321000 0.5354000       5.455000      0.5758000     -0.1342000      0.7863000
  1 1 1     -17  -16   17 o    2.048000      0.5861000       2.059000 0.8295000       2.037000      0.8284000      0.2165000E-01   1.172000
  1 1 1     -17  -16   18 o    2.876000      0.6031000       3.089000 0.8390000       2.664000      0.8667000      0.4250000       1.206000
  1 1 1     -17  -16   19 o    10.50000      0.2823000       10.88000 0.3907000       10.13000      0.4075000      0.7513000      0.5646000
  1 1 1     -17  -16   20 o    7.080000      0.3505000       7.273000 0.4715000       6.886000      0.5188000      0.3874000      0.7010000
  1 1 1     -17  -16   21 o    7.749000      0.3387000       7.511000 0.4843000       7.987000      0.4735000     -0.4764000      0.6773000
  1 1 1     -17  -16   22 o    9.864000      0.3101000       9.627000 0.4325000       10.10000      0.4446000     -0.4738000      0.6203000
  1 1 1     -17  -16   23 o    2.522000      0.7577000       2.234000 1.025000       2.810000       1.116000     -0.5759000       1.515000
  1 1 1     -17  -16   24 o    5.623000      0.4731000       5.533000 0.6596000       5.714000      0.6783000     -0.1802000      0.9462000
  1 1 1     -17  -16   25 o    2.606000      0.6560000       3.328000 0.9894000       1.883000      0.8615000       1.445000       1.312000
  1 1 1     -17  -16   26 o    4.351000      0.7967000       3.530000 1.154000       5.173000       1.098000      -1.643000       1.593000
  1 1 1     -17  -16   27 o    5.952000      0.4899000       5.440000 0.7283000       6.464000      0.6554000      -1.024000      0.9798000
  1 1 1     -17  -16   28 o    2.152000      0.6436000       2.386000 0.9626000       1.918000      0.8548000      0.4678000       1.287000
  1 1 1     -17  -16   29 o    3.534000      0.6441000       4.401000 0.8468000       2.667000      0.9708000       1.734000       1.288000
  1 1 1     -17  -16   30 o    6.475000      0.4276000       7.135000 0.5721000       5.815000      0.6356000       1.320000      0.8552000
  1 1 1     -17  -16   31 o    2.836000      0.6910000       3.133000 1.008000       2.538000      0.9453000      0.5948000       1.382000
  1 1 1     -17  -16   32 o    5.775000      0.4459000       6.400000 0.5897000       5.150000      0.6689000       1.251000      0.8917000
  1 1 1     -17  -15    1 o    10.50000      0.2148000       10.62000 0.3043000       10.38000      0.3033000      0.2383000      0.4296000
  1 1 1     -17  -15    2 o    10.55000      0.2195000       10.29000 0.3081000       10.81000      0.3126000     -0.5208000      0.4389000
  1 1 1     -17  -15    3 o    6.222000      0.2501000       6.184000 0.3471000       6.260000      0.3602000     -0.7631000E-01  0.5002000
  1 1 1     -17  -15    4 o    6.450000      0.3784000       6.491000 0.5530000       6.410000      0.5167000      0.8150000E-01  0.7569000
  1 1 1     -17  -15    5 o    8.800000      0.3246000       8.536000 0.4796000       9.064000      0.4377000     -0.5272000      0.6493000
  1 1 1     -17  -15    6 o    4.405000      0.3551000       3.887000 0.5439000       4.923000      0.4565000      -1.037000      0.7101000
  1 1 1     -17  -15    7 o    10.88000      0.2363000       10.59000 0.3305000       11.16000      0.3377000     -0.5791000      0.4725000
  1 1 1     -17  -15    8 o    6.862000      0.3619000       6.752000 0.4713000       6.972000      0.5494000     -0.2201000      0.7239000
  1 1 1     -17  -15    9 o    6.548000      0.3647000       6.022000 0.4727000       7.075000      0.5554000      -1.053000      0.7294000
  1 1 1     -17  -15   10 o    2.512000      0.5393000       2.649000 0.7461000       2.376000      0.7789000      0.2731000       1.079000
  1 1 1     -17  -15   11 o    8.167000      0.2641000       8.396000 0.3640000       7.938000      0.3829000      0.4584000      0.5283000
  1 1 1     -17  -15   12 o    12.48000      0.2531000       12.16000 0.3554000       12.81000      0.3606000     -0.6482000      0.5063000
  1 1 1     -17  -15   13 o    8.667000      0.2694000       8.561000 0.3649000       8.773000      0.3965000     -0.2111000      0.5389000
  1 1 1     -17  -15   14 o    20.14000      0.3196000       20.32000 0.4544000       19.97000      0.4495000      0.3541000      0.6391000
  1 1 1     -17  -15   15 o    4.630000      0.4385000       5.212000 0.5264000       4.047000      0.7015000       1.165000      0.8771000
  1 1 1     -17  -15   16 o    2.580000      0.6033000       2.466000 0.8590000       2.693000      0.8474000     -0.2270000       1.207000
  1 1 1     -17  -15   17 o    11.55000      0.2671000       11.42000 0.3756000       11.68000      0.3800000     -0.2587000      0.5343000
  1 1 1     -17  -15   18 o    13.91000      0.2793000       14.08000 0.3939000       13.73000      0.3960000      0.3449000      0.5585000
  1 1 1     -17  -15   19 o    4.508000      0.4866000       4.867000 0.6156000       4.149000      0.7539000      0.7185000      0.9733000
  1 1 1     -17  -15   20 o    5.225000      0.4587000       5.971000 0.5327000       4.479000      0.7470000       1.492000      0.9174000
  1 1 1     -17  -15   21 o    4.252000      0.5447000       4.595000 0.6811000       3.909000      0.8501000      0.6853000       1.089000
  1 1 1     -17  -15   22 o    8.476000      0.3320000       8.273000 0.4629000       8.679000      0.4761000     -0.4063000      0.6641000
  1 1 1     -17  -15   23 o    3.891000      0.8181000       3.427000 1.215000       4.355000       1.096000     -0.9286000       1.636000
  1 1 1     -17  -15   24 o    2.983000      0.7669000       3.810000 1.193000       2.155000      0.9645000       1.656000       1.534000
  1 1 1     -17  -15   25 o    11.34000      0.4479000       11.34000 0.4479000                  ?              ?              ?              ?
  1 1 1     -17  -15   26 o    5.796000      0.3851000       6.172000 0.5407000       5.420000      0.5485000      0.7517000      0.7702000
  1 1 1     -17  -15   27 o    4.236000      0.7838000       3.002000 1.110000       5.471000       1.107000      -2.469000       1.568000
  1 1 1     -17  -15   28 o    4.732000      0.5775000       5.026000 0.7809000       4.438000      0.8510000      0.5876000       1.155000
  1 1 1     -17  -15   29 o    2.687000      0.6729000       2.182000 0.9098000       3.192000      0.9917000      -1.009000       1.346000
  1 1 1     -17  -15   30 o    4.645000      0.5786000       4.012000 0.9210000       5.278000      0.7005000      -1.265000       1.157000
  1 1 1     -17  -15   31 f    2.132000      0.6387000       2.185000 0.9210000       2.080000      0.8852000      0.1049000       1.277000
  1 1 1     -17  -15   32 f    2.920000      0.6737000       3.219000 0.9596000       2.621000      0.9459000      0.5984000       1.347000
  1 1 1     -17  -14    1 o    8.079000      0.2138000       7.943000 0.3039000       8.216000      0.3010000     -0.2726000      0.4277000
  1 1 1     -17  -14    2 o    4.233000      0.3065000       4.061000 0.4358000       4.405000      0.4310000     -0.3443000      0.6129000
  1 1 1     -17  -14    3 o    5.809000      0.2599000       6.137000 0.3616000       5.482000      0.3735000      0.6548000      0.5198000
  1 1 1     -17  -14    4 f    4.473000      0.3115000       4.337000 0.4629000       4.609000      0.4169000     -0.2720000      0.6229000
  1 1 1     -17  -14    5 o    9.243000      0.3317000       8.832000 0.4868000       9.654000      0.4508000     -0.8219000      0.6635000
  1 1 1     -17  -14    6 o    7.107000      0.3514000       6.803000 0.5101000       7.411000      0.4834000     -0.6076000      0.7028000
  1 1 1     -17  -14    7 o    8.729000      0.2363000       8.597000 0.3363000       8.861000      0.3320000     -0.2641000      0.4726000
  1 1 1     -17  -14    8 o    7.374000      0.2467000       7.394000 0.3431000       7.355000      0.3545000      0.3894000E-01  0.4934000
  1 1 1     -17  -14    9 o    2.230000      0.5918000       1.956000 0.7919000       2.505000      0.8798000     -0.5483000       1.184000
  1 1 1     -17  -14   10 o    7.531000      0.3688000       8.162000 0.4600000       6.900000      0.5767000       1.262000      0.7376000
  1 1 1     -17  -14   11 o    4.146000      0.3921000       3.899000 0.5691000       4.393000      0.5396000     -0.4935000      0.7843000
  1 1 1     -17  -14   12 o    4.710000      0.3765000       4.397000 0.5522000       5.024000      0.5118000     -0.6272000      0.7529000
  1 1 1     -17  -14   13 o    3.544000      0.4879000       4.099000 0.6055000       2.989000      0.7652000       1.111000      0.9758000
  1 1 1     -17  -14   14 f    15.77000      0.2804000       15.79000 0.3967000       15.75000      0.3963000      0.4047000E-01  0.5608000
  1 1 1     -17  -14   15 o    14.27000      0.2728000       14.32000 0.3843000       14.22000      0.3871000      0.1028000      0.5455000
  1 1 1     -17  -14   16 f    3.832000      0.5093000       3.857000 0.6734000       3.806000      0.7643000      0.5116000E-01   1.019000
  1 1 1     -17  -14   17 o    8.693000      0.2857000       8.353000 0.4070000       9.034000      0.4010000     -0.6808000      0.5714000
  1 1 1     -17  -14   18 o    7.389000      0.3121000       7.537000 0.4310000       7.241000      0.4515000      0.2962000      0.6242000
  1 1 1     -17  -14   19 o    9.280000      0.2954000       9.419000 0.4055000       9.142000      0.4296000      0.2765000      0.5908000
  1 1 1     -17  -14   20 o    3.317000      0.5991000       3.781000 0.7717000       2.853000      0.9167000      0.9289000       1.198000
  1 1 1     -17  -14   21 o    2.871000      0.6465000       3.025000 0.9039000       2.716000      0.9244000      0.3096000       1.293000
  1 1 1     -17  -14   22 o    3.673000      0.5908000       4.598000 0.6977000       2.748000      0.9536000       1.849000       1.182000
  1 1 1     -17  -14   23 o    6.987000      0.3716000       6.664000 0.5396000       7.309000      0.5110000     -0.6451000      0.7431000
  1 1 1     -17  -14   24 o    8.228000      0.4990000       8.315000 0.7097000       8.141000      0.7015000      0.1743000      0.9979000
  1 1 1     -17  -14   25 o    7.606000      0.5135000       7.606000 0.5135000                  ?              ?              ?              ?
  1 1 1     -17  -14   26 o    1.844000      0.5836000       2.016000 0.8705000       1.673000      0.7775000      0.3424000       1.167000
  1 1 1     -17  -14   27 f    5.730000       1.042000                  ?       ?   5.730000       1.042000                  ?              ?
  1 1 1     -17  -14   28 o    6.167000      0.4445000       6.042000 0.6366000       6.291000      0.6206000     -0.2487000      0.8890000
  1 1 1     -17  -14   29 o    4.934000      0.5386000       4.190000 0.8633000       5.678000      0.6442000      -1.488000       1.077000
  1 1 1     -17  -14   30 o    8.114000      0.4600000       8.904000 0.7429000       7.324000      0.5426000       1.580000      0.9200000
  1 1 1     -17  -14   31 o    1.810000      0.5844000       1.883000 0.8542000       1.738000      0.7977000      0.1447000       1.169000
  1 1 1     -17  -14   32 o    2.808000      0.6562000       3.011000 0.9554000       2.605000      0.8998000      0.4061000       1.312000
  1 1 1     -17  -14   33 o    2.900000      0.6724000       2.685000 0.9649000       3.116000      0.9368000     -0.4314000       1.345000
  1 1 1     -17  -13    1 o    7.402000      0.2155000       7.641000 0.3005000       7.163000      0.3091000      0.4780000      0.4311000
  1 1 1     -17  -13    2 o    8.129000      0.2164000       8.341000 0.3022000       7.918000      0.3098000      0.4233000      0.4328000
  1 1 1     -17  -13    3 o    7.112000      0.2316000       7.141000 0.3237000       7.083000      0.3313000      0.5835000E-01  0.4632000
  1 1 1     -17  -13    4 o    9.610000      0.2207000       9.488000 0.3083000       9.731000      0.3159000     -0.2433000      0.4414000
  1 1 1     -17  -13    5 o    2.463000      0.4956000       2.348000 0.7110000       2.578000      0.6907000     -0.2302000      0.9912000
  1 1 1     -17  -13    6 o    8.742000      0.3239000       8.571000 0.4688000       8.914000      0.4471000     -0.3431000      0.6479000
  1 1 1     -17  -13    7 f    10.67000      0.3306000       10.25000 0.4781000       11.10000      0.4569000     -0.8487000      0.6613000
  1 1 1     -17  -13    8 o    7.005000      0.2477000       6.910000 0.3381000       7.099000      0.3621000     -0.1894000      0.4954000
  1 1 1     -17  -13    9 o    2.980000      0.4802000       3.606000 0.5828000       2.355000      0.7634000       1.251000      0.9604000
  1 1 1     -17  -13   10 o    7.639000      0.3501000       7.822000 0.4621000       7.455000      0.5259000      0.3668000      0.7001000
  1 1 1     -17  -13   11 o    5.483000      0.3378000       5.483000 0.4785000       5.484000      0.4770000     -0.1001000E-02  0.6756000
  1 1 1     -17  -13   12 o    12.18000      0.2526000       12.32000 0.3621000       12.04000      0.3525000      0.2787000      0.5053000
  1 1 1     -17  -13   13 o    10.07000      0.2532000       10.14000 0.3619000       10.00000      0.3543000      0.1409000      0.5065000
  1 1 1     -17  -13   14 o    8.203000      0.2743000       8.102000 0.3713000       8.305000      0.4038000     -0.2031000      0.5486000
  1 1 1     -17  -13   15 o    10.29000      0.2628000       10.16000 0.3671000       10.41000      0.3761000     -0.2537000      0.5255000
  1 1 1     -17  -13   16 o    1.841000      0.5428000       1.469000 0.6832000       2.214000      0.8438000     -0.7449000       1.086000
  1 1 1     -17  -13   17 o    14.53000      0.2759000       14.41000 0.3873000       14.64000      0.3930000     -0.2376000      0.5518000
  1 1 1     -17  -13   18 o    10.55000      0.2760000       10.72000 0.3889000       10.37000      0.3916000      0.3505000      0.5519000
  1 1 1     -17  -13   19 o    10.72000      0.2770000       10.82000 0.3880000       10.62000      0.3955000      0.1986000      0.5541000
  1 1 1     -17  -13   20 o    7.818000      0.3133000       7.724000 0.4392000       7.912000      0.4469000     -0.1879000      0.6266000
  1 1 1     -17  -13   21 o    3.153000      0.6139000       2.951000 0.8786000       3.354000      0.8576000     -0.4030000       1.228000
  1 1 1     -17  -13   22 o    2.488000      0.5877000       1.714000 0.7647000       3.262000      0.8927000      -1.548000       1.175000
  1 1 1     -17  -13   23 o    9.965000      0.3771000       10.74000 0.6070000       9.187000      0.4475000       1.557000      0.7541000
  1 1 1     -17  -13   24 o    6.904000      0.5690000       7.670000 0.7542000       6.137000      0.8523000       1.533000       1.138000
  1 1 1     -17  -13   25 o    4.160000      0.7573000       5.003000 1.070000       3.317000       1.072000       1.686000       1.515000
  1 1 1     -17  -13   26 o    6.496000      0.4085000       6.739000 0.5697000       6.252000      0.5855000      0.4874000      0.8169000
  1 1 1     -17  -13   27 o    1.781000      0.8594000                  ?       ?   1.781000      0.8594000                  ?              ?
  1 1 1     -17  -13   28 o    6.917000      0.6145000       7.434000 0.7424000       6.400000      0.9795000       1.033000       1.229000
  1 1 1     -17  -13   29 o    4.148000      0.6313000       3.706000 0.9768000       4.589000      0.8000000     -0.8834000       1.263000
  1 1 1     -17  -13   30 o    5.460000      0.4854000       5.997000 0.6072000       4.923000      0.7575000       1.073000      0.9708000
  1 1 1     -17  -13   31 o    2.528000      0.6572000       2.012000 0.8890000       3.043000      0.9681000      -1.031000       1.314000
  1 1 1     -17  -13   32 o    5.402000      0.4967000       5.182000 0.7748000       5.622000      0.6218000     -0.4400000      0.9934000
  1 1 1     -17  -13   33 o    2.775000      0.6634000       2.673000 0.9466000       2.876000      0.9297000     -0.2027000       1.327000
  1 1 1     -17  -12    1 o    2.727000      0.4120000       2.801000 0.5675000       2.653000      0.5973000      0.1482000      0.8239000
  1 1 1     -17  -12    2 o    6.670000      0.2308000       6.886000 0.3171000       6.453000      0.3356000      0.4333000      0.4617000
  1 1 1     -17  -12    3 o    5.312000      0.2549000       5.398000 0.3640000       5.226000      0.3569000      0.1720000      0.5097000
  1 1 1     -17  -12    4 o    15.50000      0.2517000       15.26000 0.3524000       15.74000      0.3596000     -0.4816000      0.5035000
  1 1 1     -17  -12    5 o    3.408000      0.4085000       3.895000 0.5068000       2.920000      0.6409000      0.9746000      0.8171000
  1 1 1     -17  -12    6 f    11.69000      0.2284000       11.25000 0.3180000       12.12000      0.3281000     -0.8715000      0.4569000
  1 1 1     -17  -12    7 o    10.05000      0.3284000       10.48000 0.4848000       9.626000      0.4433000      0.8507000      0.6569000
  1 1 1     -17  -12    8 f    4.649000      0.5157000       3.597000 0.8623000       5.702000      0.5659000      -2.105000       1.031000
  1 1 1     -17  -12    9 o    8.167000      0.2410000       8.280000 0.3395000       8.054000      0.3422000      0.2260000      0.4820000
  1 1 1     -17  -12   10 o    4.094000      0.5216000       3.689000 0.7304000       4.499000      0.7448000     -0.8098000       1.043000
  1 1 1     -17  -12   11 o    4.026000      0.5263000       4.485000 0.6510000       3.567000      0.8271000      0.9181000       1.053000
  1 1 1     -17  -12   12 o    7.542000      0.2658000       7.251000 0.3781000       7.832000      0.3736000     -0.5809000      0.5315000
  1 1 1     -17  -12   13 o    4.611000      0.3746000       4.326000 0.5654000       4.896000      0.4914000     -0.5701000      0.7491000
  1 1 1     -17  -12   14 o    10.43000      0.2521000       10.45000 0.3531000       10.41000      0.3598000      0.3929000E-01  0.5041000
  1 1 1     -17  -12   15 o    4.870000      0.4213000       5.584000 0.5003000       4.157000      0.6780000       1.426000      0.8426000
  1 1 1     -17  -12   16 o    7.190000      0.3136000       7.059000 0.4372000       7.321000      0.4496000     -0.2621000      0.6272000
  1 1 1     -17  -12   17 o    15.28000      0.2794000       15.41000 0.3954000       15.15000      0.3949000      0.2618000      0.5589000
  1 1 1     -17  -12   18 o    11.33000      0.2704000       11.52000 0.3761000       11.14000      0.3887000      0.3881000      0.5409000
  1 1 1     -17  -12   19 o    5.291000      0.4036000       5.792000 0.4995000       4.790000      0.6340000       1.002000      0.8072000
  1 1 1     -17  -12   20 o    12.03000      0.2762000       12.24000 0.3879000       11.83000      0.3932000      0.4100000      0.5523000
  1 1 1     -17  -12   21 o    7.413000      0.3284000       7.536000 0.4534000       7.290000      0.4751000      0.2460000      0.6567000
  1 1 1     -17  -12   22 o    14.35000      0.2921000       13.80000 0.4112000       14.89000      0.4150000      -1.086000      0.5842000
  1 1 1     -17  -12   23 o    16.05000      0.2999000       15.59000 0.4183000       16.51000      0.4299000     -0.9278000      0.5998000
  1 1 1     -17  -12   24 o    10.14000      0.3129000       10.22000 0.4319000       10.06000      0.4529000      0.1589000      0.6258000
  1 1 1     -17  -12   25 o    6.872000      0.5586000       7.575000 0.7553000       6.170000      0.8232000       1.405000       1.117000
  1 1 1     -17  -12   26 o    7.290000      0.3783000       6.940000 0.5612000       7.640000      0.5075000     -0.7003000      0.7567000
  1 1 1     -17  -12   27 o    4.313000      0.5715000       4.472000 0.8139000       4.153000      0.8026000      0.3189000       1.143000
  1 1 1     -17  -12   28 o    5.493000      0.7464000       5.114000 1.056000       5.872000       1.055000     -0.7586000       1.493000
  1 1 1     -17  -12   29 o    2.159000      0.6363000       2.553000 0.9780000       1.764000      0.8142000      0.7890000       1.273000
  1 1 1     -17  -12   30 o    2.239000      0.6555000       2.178000 0.9155000       2.299000      0.9384000     -0.1214000       1.311000
  1 1 1     -17  -12   31 o    4.730000      0.5487000       4.869000 0.7607000       4.591000      0.7910000      0.2781000       1.097000
  1 1 1     -17  -12   32 o    2.946000      0.6666000       3.435000 0.9718000       2.458000      0.9128000      0.9771000       1.333000
  1 1 1     -17  -12   33 o    1.772000      0.5674000       1.770000 0.8071000       1.774000      0.7978000     -0.4009000E-02   1.135000
  1 1 1     -17  -11    1 o    1.786000      0.4543000       1.473000 0.6189000       2.100000      0.6654000     -0.6272000      0.9087000
  1 1 1     -17  -11    2 o    10.44000      0.2106000       10.43000 0.2978000       10.45000      0.2980000     -0.1734000E-01  0.4213000
  1 1 1     -17  -11    3 o    3.733000      0.3277000       3.921000 0.4219000       3.545000      0.5016000      0.3764000      0.6555000
  1 1 1     -17  -11    4 o    9.566000      0.2159000       9.395000 0.3097000       9.738000      0.3010000     -0.3424000      0.4319000
  1 1 1     -17  -11    5 o    1.958000      0.4872000       1.856000 0.6746000       2.060000      0.7031000     -0.2035000      0.9744000
  1 1 1     -17  -11    6 o    8.080000      0.2246000       8.112000 0.3188000       8.048000      0.3166000      0.6398000E-01  0.4492000
  1 1 1     -17  -11    7 f    7.799000      0.3350000       7.652000 0.4874000       7.945000      0.4596000     -0.2934000      0.6699000
  1 1 1     -17  -11    8 o    7.878000      0.3423000       7.760000 0.5047000       7.996000      0.4625000     -0.2362000      0.6846000
  1 1 1     -17  -11    9 o    10.40000      0.2835000       10.41000 0.3257000       10.39000      0.4642000      0.1990000E-01  0.5670000
  1 1 1     -17  -11   10 o    7.052000      0.2606000       7.125000 0.3593000       6.980000      0.3775000      0.1444000      0.5212000
  1 1 1     -17  -11   11 o    2.115000      0.6025000       1.968000 0.8169000       2.262000      0.8859000     -0.2945000       1.205000
  1 1 1     -17  -11   12 o    5.521000      0.3272000       5.290000 0.4740000       5.751000      0.4512000     -0.4609000      0.6544000
  1 1 1     -17  -11   13 o    1.599000      0.4970000       1.631000 0.7072000       1.567000      0.6987000      0.6321000E-01  0.9941000
  1 1 1     -17  -11   14 o    2.782000      0.5546000       2.683000 0.7874000       2.881000      0.7814000     -0.1982000       1.109000
  1 1 1     -17  -11   15 o    4.762000      0.4043000       5.010000 0.5244000       4.514000      0.6156000      0.4964000      0.8087000
  1 1 1     -17  -11   16 o    12.97000      0.2641000       13.59000 0.3722000       12.35000      0.3749000       1.245000      0.5283000
  1 1 1     -17  -11   17 o    10.68000      0.2693000       10.52000 0.3795000       10.84000      0.3822000     -0.3246000      0.5386000
  1 1 1     -17  -11   18 o    10.08000      0.2702000       9.741000 0.3831000       10.43000      0.3812000     -0.6864000      0.5404000
  1 1 1     -17  -11   19 o    7.794000      0.3013000       7.564000 0.4221000       8.024000      0.4301000     -0.4592000      0.6026000
  1 1 1     -17  -11   20 o    13.95000      0.2773000       13.41000 0.3894000       14.49000      0.3949000      -1.082000      0.5546000
  1 1 1     -17  -11   21 o    9.768000      0.2860000       9.772000 0.4012000       9.763000      0.4077000      0.9114000E-02  0.5720000
  1 1 1     -17  -11   22 o    7.772000      0.3302000       7.523000 0.4732000       8.022000      0.4607000     -0.4987000      0.6605000
  1 1 1     -17  -11   23 o    15.96000      0.2996000       15.85000 0.4209000       16.06000      0.4264000     -0.2046000      0.5992000
  1 1 1     -17  -11   24 o    5.198000      0.4877000       5.949000 0.5731000       4.447000      0.7893000       1.501000      0.9754000
  1 1 1     -17  -11   25 o    8.709000      0.4752000       8.742000 0.6949000       8.676000      0.6484000      0.6646000E-01  0.9504000
  1 1 1     -17  -11   26 o    1.973000      0.6051000       1.631000 0.7697000       2.314000      0.9340000     -0.6829000       1.210000
  1 1 1     -17  -11   27 o    7.527000      0.3896000       7.574000 0.5535000       7.479000      0.5485000      0.9500000E-01  0.7792000
  1 1 1     -17  -11   28 o    6.005000      0.7042000       5.794000 0.9899000       6.215000       1.002000     -0.4208000       1.408000
  1 1 1     -17  -11   29 f    4.555000      0.5966000       5.218000 0.7566000       3.892000      0.9227000       1.326000       1.193000
  1 1 1     -17  -11   30 o    4.847000      0.5480000       4.617000 0.8008000       5.078000      0.7482000     -0.4604000       1.096000
  1 1 1     -17  -11   31 o    2.497000      0.6650000       2.147000 0.9065000       2.847000      0.9734000     -0.6999000       1.330000
  1 1 1     -17  -11   32 o    2.652000      0.6464000       2.161000 0.9146000       3.143000      0.9136000     -0.9814000       1.293000
  1 1 1     -17  -11   33 o    2.576000      0.6630000       2.672000 0.9528000       2.481000      0.9221000      0.1908000       1.326000
  1 1 1     -17  -10    1 o    3.990000      0.3014000       3.819000 0.4408000       4.162000      0.4113000     -0.3431000      0.6029000
  1 1 1     -17  -10    2 o    9.678000      0.2086000       9.872000 0.2966000       9.485000      0.2935000      0.3869000      0.4172000
  1 1 1     -17  -10    3 o    2.471000      0.4568000       2.613000 0.6212000       2.329000      0.6699000      0.2840000      0.9136000
  1 1 1     -17  -10    4 o    17.06000      0.2665000       17.09000 0.3778000       17.02000      0.3758000      0.6565000E-01  0.5329000
  1 1 1     -17  -10    5 o    3.885000      0.3386000       4.305000 0.4257000       3.464000      0.5268000      0.8412000      0.6772000
  1 1 1     -17  -10    6 f    7.040000      0.2362000       7.100000 0.3294000       6.979000      0.3386000      0.1213000      0.4724000
  1 1 1     -17  -10    7 o    7.140000      0.2384000       6.914000 0.3391000       7.366000      0.3353000     -0.4519000      0.4769000
  1 1 1     -17  -10    8 o    7.570000      0.3523000       7.474000 0.5167000       7.665000      0.4791000     -0.1907000      0.7046000
  1 1 1     -17  -10    9 o    2.408000      0.5868000       2.221000 0.7769000       2.595000      0.8798000     -0.3740000       1.174000
  1 1 1     -17  -10   10 o    7.362000      0.2520000       7.347000 0.3577000       7.377000      0.3552000     -0.2931000E-01  0.5041000
  1 1 1     -17  -10   11 o    10.71000      0.3307000       9.954000 0.4499000       11.47000      0.4848000      -1.521000      0.6614000
  1 1 1     -17  -10   12 o    4.650000      0.4994000       4.739000 0.6731000       4.560000      0.7378000      0.1787000      0.9988000
  1 1 1     -17  -10   13 o    8.192000      0.2668000       8.358000 0.3718000       8.027000      0.3828000      0.3313000      0.5336000
  1 1 1     -17  -10   14 o    6.510000      0.2917000       6.582000 0.4006000       6.437000      0.4241000      0.1447000      0.5834000
  1 1 1     -17  -10   15 o    7.542000      0.2769000       7.544000 0.3915000       7.539000      0.3918000      0.5756000E-02  0.5539000
  1 1 1     -17  -10   16 o    15.03000      0.2737000       15.03000 0.3860000       15.02000      0.3881000      0.1807000E-01  0.5474000
  1 1 1     -17  -10   17 o    8.437000      0.2873000       8.570000 0.3967000       8.303000      0.4158000      0.2670000      0.5747000
  1 1 1     -17  -10   18 o    13.25000      0.2712000       13.54000 0.3830000       12.96000      0.3839000      0.5812000      0.5423000
  1 1 1     -17  -10   19 o    5.040000      0.4240000       5.455000 0.5372000       4.626000      0.6560000      0.8287000      0.8479000
  1 1 1     -17  -10   20 o    8.887000      0.2911000       9.013000 0.4031000       8.762000      0.4201000      0.2510000      0.5822000
  1 1 1     -17  -10   21 o    5.508000      0.4058000       5.395000 0.5654000       5.620000      0.5822000     -0.2252000      0.8115000
  1 1 1     -17  -10   22 o    10.31000      0.2889000       10.15000 0.4101000       10.47000      0.4069000     -0.3286000      0.5777000
  1 1 1     -17  -10   23 o    13.22000      0.2906000       13.58000 0.4092000       12.87000      0.4129000      0.7105000      0.5813000
  1 1 1     -17  -10   24 o    13.88000      0.2971000       13.93000 0.4195000       13.84000      0.4208000      0.9192000E-01  0.5942000
  1 1 1     -17  -10   25 o    8.885000      0.4607000       8.805000 0.6758000       8.965000      0.6263000     -0.1606000      0.9214000
  1 1 1     -17  -10   26 o    4.610000      0.7942000       4.610000 0.7942000                  ?              ?              ?              ?
  1 1 1     -17  -10   27 o    9.415000      0.3357000       9.168000 0.4847000       9.662000      0.4645000     -0.4940000      0.6713000
  1 1 1     -17  -10   28 f    6.005000      0.9912000                  ?       ?   6.005000      0.9912000                  ?              ?
  1 1 1     -17  -10   29 o    2.157000      0.6315000       1.744000 0.8160000       2.570000      0.9641000     -0.8266000       1.263000
  1 1 1     -17  -10   30 f    7.296000      0.3827000       7.240000 0.5385000       7.352000      0.5438000     -0.1118000      0.7653000
  1 1 1     -17  -10   31 o    6.326000      0.4211000       6.092000 0.6045000       6.561000      0.5865000     -0.4686000      0.8423000
  1 1 1     -17  -10   32 o    2.495000      0.6625000       2.924000 1.001000       2.065000      0.8680000      0.8585000       1.325000
  1 1 1     -17  -10   33 o    4.863000      0.5088000       5.162000 0.7199000       4.563000      0.7191000      0.5988000       1.018000
  1 1 1     -17   -9    1 o    13.80000      0.2293000       13.48000 0.3211000       14.12000      0.3274000     -0.6411000      0.4586000
  1 1 1     -17   -9    2 o    7.506000      0.2106000       7.437000 0.3003000       7.575000      0.2954000     -0.1374000      0.4212000
  1 1 1     -17   -9    3 o    3.472000      0.3481000       3.381000 0.5010000       3.564000      0.4836000     -0.1829000      0.6963000
  1 1 1     -17   -9    4 o    6.656000      0.2258000       6.896000 0.3089000       6.416000      0.3295000      0.4796000      0.4516000
  1 1 1     -17   -9    5 o    13.11000      0.2308000       13.35000 0.3290000       12.87000      0.3238000      0.4783000      0.4616000
  1 1 1     -17   -9    6 o    6.505000      0.2408000       6.466000 0.3464000       6.544000      0.3347000     -0.7774000E-01  0.4816000
  1 1 1     -17   -9    7 o    4.569000      0.3051000       4.576000 0.4110000       4.562000      0.4511000      0.1368000E-01  0.6103000
  1 1 1     -17   -9    8 o    6.025000      0.3799000       6.714000 0.5276000       5.335000      0.5468000       1.379000      0.7599000
  1 1 1     -17   -9    9 o    8.902000      0.3339000       9.149000 0.4838000       8.654000      0.4603000      0.4947000      0.6678000
  1 1 1     -17   -9   10 o    7.765000      0.2488000       7.684000 0.3496000       7.846000      0.3542000     -0.1621000      0.4976000
  1 1 1     -17   -9   11 o    8.357000      0.2303000       8.173000 0.3291000       8.542000      0.3223000     -0.3689000      0.4606000
  1 1 1     -17   -9   12 f    5.857000      0.4073000       6.147000 0.5349000       5.566000      0.6144000      0.5807000      0.8146000
  1 1 1     -17   -9   13 o    10.40000      0.2500000       10.40000 0.3557000       10.39000      0.3513000      0.1140000E-01  0.4999000
  1 1 1     -17   -9   14 o    7.931000      0.2648000       8.108000 0.3754000       7.754000      0.3736000      0.3537000      0.5297000
  1 1 1     -17   -9   15 o    19.05000      0.3035000       19.02000 0.4286000       19.09000      0.4297000     -0.7680000E-01  0.6069000
  1 1 1     -17   -9   16 o    2.172000      0.5397000       1.525000 0.7027000       2.819000      0.8193000      -1.295000       1.079000
  1 1 1     -17   -9   17 o    2.917000      0.5706000       3.533000 0.7603000       2.301000      0.8510000       1.232000       1.141000
  1 1 1     -17   -9   18 o    10.09000      0.2723000       9.865000 0.3889000       10.32000      0.3811000     -0.4580000      0.5445000
  1 1 1     -17   -9   19 o    3.771000      0.5191000       4.157000 0.6751000       3.386000      0.7888000      0.7718000       1.038000
  1 1 1     -17   -9   20 o    12.70000      0.2720000       13.06000 0.3847000       12.35000      0.3845000      0.7120000      0.5439000
  1 1 1     -17   -9   21 o    6.875000      0.3348000       7.084000 0.4636000       6.667000      0.4830000      0.4178000      0.6695000
  1 1 1     -17   -9   22 f    4.669000      0.4635000       4.327000 0.6908000       5.010000      0.6180000     -0.6831000      0.9269000
  1 1 1     -17   -9   23 f    7.014000      0.3481000       6.885000 0.4919000       7.143000      0.4927000     -0.2583000      0.6963000
  1 1 1     -17   -9   24 f    12.45000      0.2915000       12.42000 0.4097000       12.49000      0.4147000     -0.6716000E-01  0.5829000
  1 1 1     -17   -9   25 o    8.200000      0.4616000       8.198000 0.6681000       8.202000      0.6372000     -0.3683000E-02  0.9232000
  1 1 1     -17   -9   26 o    2.778000      0.9694000       2.778000 0.9694000                  ?              ?              ?              ?
  1 1 1     -17   -9   27 o    5.107000      0.5108000       4.812000 0.7677000       5.402000      0.6742000     -0.5899000       1.022000
  1 1 1     -17   -9   28 f    3.699000       1.277000                  ?       ?   3.699000       1.277000                  ?              ?
  1 1 1     -17   -9   29 o    4.213000      0.6368000       4.594000 0.8777000       3.832000      0.9228000      0.7617000       1.274000
  1 1 1     -17   -9   30 o    5.020000      0.5365000       5.389000 0.7203000       4.651000      0.7954000      0.7386000       1.073000
  1 1 1     -17   -9   31 o    5.584000      0.4655000       5.387000 0.6666000       5.782000      0.6499000     -0.3952000      0.9310000
  1 1 1     -17   -9   32 o    5.117000      0.4892000       5.208000 0.7298000       5.027000      0.6515000      0.1807000      0.9783000
  1 1 1     -17   -9   33 f    5.380000      0.4703000       5.186000 0.7212000       5.575000      0.6039000     -0.3893000      0.9407000
  1 1 1     -17   -8    1 f    5.943000      0.2243000       5.973000 0.3089000       5.914000      0.3253000      0.5921000E-01  0.4486000
  1 1 1     -17   -8    2 o    4.894000      0.2519000       5.294000 0.3418000       4.494000      0.3700000      0.8002000      0.5037000
  1 1 1     -17   -8    3 o    6.173000      0.2297000       6.135000 0.3239000       6.211000      0.3258000     -0.7554000E-01  0.4594000
  1 1 1     -17   -8    4 o    2.252000      0.4548000       1.885000 0.6757000       2.619000      0.6091000     -0.7338000      0.9096000
  1 1 1     -17   -8    5 o    4.888000      0.3415000       4.947000 0.5548000       4.829000      0.3984000      0.1177000      0.6830000
  1 1 1     -17   -8    6 o    2.630000      0.4534000       2.975000 0.5925000       2.285000      0.6865000      0.6894000      0.9068000
  1 1 1     -17   -8    7 o    2.461000      0.4778000       2.228000 0.7054000       2.693000      0.6447000     -0.4651000      0.9557000
  1 1 1     -17   -8    8 o    9.603000      0.3175000       10.20000 0.4612000       9.008000      0.4365000       1.189000      0.6350000
  1 1 1     -17   -8    9 f    5.276000      0.4021000       5.109000 0.6048000       5.443000      0.5301000     -0.3340000      0.8042000
  1 1 1     -17   -8   10 o    6.397000      0.2691000       6.761000 0.3657000       6.034000      0.3949000      0.7270000      0.5382000
  1 1 1     -17   -8   11 o    4.283000      0.3729000       3.780000 0.5644000       4.786000      0.4876000      -1.006000      0.7458000
  1 1 1     -17   -8   12 o    5.832000      0.3918000       5.792000 0.5430000       5.871000      0.5650000     -0.7937000E-01  0.7836000
  1 1 1     -17   -8   13 o    7.000000      0.2781000       6.879000 0.4010000       7.120000      0.3853000     -0.2411000      0.5561000
  1 1 1     -17   -8   14 o    11.95000      0.2504000       11.97000 0.3545000       11.93000      0.3536000      0.4844000E-01  0.5007000
  1 1 1     -17   -8   15 o    15.68000      0.2725000       15.51000 0.3829000       15.84000      0.3878000     -0.3336000      0.5449000
  1 1 1     -17   -8   16 o    8.105000      0.2790000       8.114000 0.3924000       8.097000      0.3968000      0.1697000E-01  0.5581000
  1 1 1     -17   -8   17 o    7.550000      0.2913000       7.348000 0.4201000       7.752000      0.4037000     -0.4040000      0.5826000
  1 1 1     -17   -8   18 o    7.409000      0.2988000       7.102000 0.4348000       7.716000      0.4099000     -0.6137000      0.5976000
  1 1 1     -17   -8   19 o    10.10000      0.2729000       10.11000 0.3864000       10.10000      0.3856000      0.1147000E-01  0.5459000
  1 1 1     -17   -8   20 f    8.260000      0.2915000       8.391000 0.4044000       8.130000      0.4199000      0.2610000      0.5830000
  1 1 1     -17   -8   21 o    4.260000      0.4799000       3.828000 0.7292000       4.693000      0.6243000     -0.8644000      0.9599000
  1 1 1     -17   -8   22 o    5.337000      0.4023000       5.239000 0.5829000       5.434000      0.5547000     -0.1946000      0.8046000
  1 1 1     -17   -8   23 o    5.010000      0.4538000       4.695000 0.6751000       5.326000      0.6067000     -0.6318000      0.9077000
  1 1 1     -17   -8   24 o    4.725000      0.5062000       4.900000 0.6807000       4.551000      0.7492000      0.3496000       1.012000
  1 1 1     -17   -8   25 o    4.360000      0.7800000       4.733000 1.120000       3.987000       1.085000      0.7460000       1.560000
  1 1 1     -17   -8   26 o    2.151000      0.6385000       1.841000 0.8367000       2.462000      0.9647000     -0.6217000       1.277000
  1 1 1     -17   -8   27 o    2.645000      0.6476000       3.362000 0.9709000       1.928000      0.8573000       1.433000       1.295000
  1 1 1     -17   -8   28 o    3.376000      0.8373000       3.740000 1.182000       3.012000       1.187000      0.7283000       1.675000
  1 1 1     -17   -8   29 o    5.196000      0.5185000       5.242000 0.7484000       5.150000      0.7178000      0.9255000E-01   1.037000
  1 1 1     -17   -8   30 o    6.315000      0.4352000       6.485000 0.5997000       6.145000      0.6307000      0.3399000      0.8703000
  1 1 1     -17   -8   31 o    2.522000      0.6476000       2.965000 0.9330000       2.080000      0.8985000      0.8843000       1.295000
  1 1 1     -17   -8   32 o    6.142000      0.4293000       6.505000 0.5943000       5.779000      0.6197000      0.7267000      0.8586000
  1 1 1     -17   -8   33 o    2.095000      0.6303000       2.166000 0.9166000       2.024000      0.8655000      0.1426000       1.261000
  1 1 1     -17   -7    1 o    8.020000      0.2016000       8.233000 0.2875000       7.807000      0.2827000      0.4262000      0.4032000
  1 1 1     -17   -7    2 o    7.130000      0.2119000       7.444000 0.2980000       6.817000      0.3013000      0.6265000      0.4238000
  1 1 1     -17   -7    3 o    6.375000      0.2261000       6.170000 0.3196000       6.579000      0.3200000     -0.4096000      0.4523000
  1 1 1     -17   -7    4 o    3.533000      0.3606000       4.169000 0.4276000       2.897000      0.5808000       1.272000      0.7213000
  1 1 1     -17   -7    5 o    5.902000      0.2408000       5.921000 0.3420000       5.882000      0.3392000      0.3932000E-01  0.4817000
  1 1 1     -17   -7    6 o    11.00000      0.2205000       10.93000 0.3125000       11.06000      0.3112000     -0.1243000      0.4410000
  1 1 1     -17   -7    7 o    3.759000      0.3506000       3.536000 0.5143000       3.983000      0.4766000     -0.4468000      0.7012000
  1 1 1     -17   -7    8 o    6.439000      0.2519000       6.620000 0.3601000       6.259000      0.3522000      0.3618000      0.5037000
  1 1 1     -17   -7    9 o    12.30000      0.3339000       12.67000 0.4832000       11.94000      0.4610000      0.7265000      0.6679000
  1 1 1     -17   -7   10 o    6.468000      0.2588000       6.415000 0.3681000       6.521000      0.3639000     -0.1060000      0.5176000
  1 1 1     -17   -7   11 o    4.960000      0.3236000       4.794000 0.4650000       5.127000      0.4503000     -0.3334000      0.6473000
  1 1 1     -17   -7   12 o    2.926000      0.6096000       2.462000 0.8755000       3.391000      0.8485000     -0.9286000       1.219000
  1 1 1     -17   -7   13 o    6.829000      0.2731000       7.008000 0.3806000       6.651000      0.3917000      0.3565000      0.5462000
  1 1 1     -17   -7   14 o    6.389000      0.2887000       6.215000 0.4196000       6.563000      0.3967000     -0.3479000      0.5774000
  1 1 1     -17   -7   15 f    4.712000      0.3609000       4.705000 0.5129000       4.719000      0.5078000     -0.1403000E-01  0.7217000
  1 1 1     -17   -7   16 o    9.981000      0.2612000       10.23000 0.3683000       9.727000      0.3706000      0.5077000      0.5225000
  1 1 1     -17   -7   17 o    12.17000      0.2636000       12.46000 0.3746000       11.89000      0.3710000      0.5739000      0.5273000
  1 1 1     -17   -7   18 o    10.39000      0.2629000       9.770000 0.3720000       11.01000      0.3717000      -1.239000      0.5259000
  1 1 1     -17   -7   19 o    11.00000      0.2650000       11.03000 0.3752000       10.97000      0.3743000      0.6530000E-01  0.5300000
  1 1 1     -17   -7   20 o    7.047000      0.3098000       6.533000 0.4541000       7.561000      0.4216000      -1.028000      0.6197000
  1 1 1     -17   -7   21 o    10.68000      0.2781000       10.52000 0.3908000       10.84000      0.3957000     -0.3208000      0.5562000
  1 1 1     -17   -7   22 o    11.00000      0.2825000       11.41000 0.3932000       10.59000      0.4058000      0.8184000      0.5651000
  1 1 1     -17   -7   23 o    8.841000      0.3010000       9.201000 0.4246000       8.480000      0.4268000      0.7207000      0.6021000
  1 1 1     -17   -7   24 o    7.577000      0.3334000       7.110000 0.4895000       8.044000      0.4529000     -0.9336000      0.6669000
  1 1 1     -17   -7   25 o    4.257000      0.7206000       4.121000 1.055000       4.392000      0.9816000     -0.2716000       1.441000
  1 1 1     -17   -7   26 o    9.720000      0.3160000       9.313000 0.4603000       10.13000      0.4332000     -0.8148000      0.6321000
  1 1 1     -17   -7   27 o    1.734000      0.5663000       1.783000 0.8122000       1.685000      0.7894000      0.9755000E-01   1.133000
  1 1 1     -17   -7   28 o    2.929000      0.7843000       2.137000 0.9894000       3.722000       1.217000      -1.584000       1.569000
  1 1 1     -17   -7   29 o    2.788000      0.6827000       2.537000 0.9690000       3.039000      0.9620000     -0.5019000       1.365000
  1 1 1     -17   -7   30 o    6.159000      0.4289000       6.353000 0.6064000       5.965000      0.6066000      0.3877000      0.8577000
  1 1 1     -17   -7   31 o    3.529000      0.6343000       4.116000 0.8287000       2.941000      0.9605000       1.174000       1.269000
  1 1 1     -17   -7   32 o    6.306000      0.4248000       6.443000 0.6112000       6.170000      0.5901000      0.2731000      0.8496000
  1 1 1     -17   -7   33 o    3.526000      0.6452000       3.710000 0.9320000       3.343000      0.8924000      0.3679000       1.290000
  1 1 1     -17   -6    1 o    2.962000      0.3638000       2.991000 0.5038000       2.933000      0.5249000      0.5789000E-01  0.7276000
  1 1 1     -17   -6    2 o    4.830000      0.2458000       4.885000 0.3432000       4.775000      0.3521000      0.1101000      0.4917000
  1 1 1     -17   -6    3 o    5.349000      0.2380000       5.157000 0.3393000       5.542000      0.3339000     -0.3852000      0.4760000
  1 1 1     -17   -6    4 f    4.501000      0.2753000       4.277000 0.3957000       4.725000      0.3830000     -0.4474000      0.5507000
  1 1 1     -17   -6    5 o    16.03000      0.2556000       16.52000 0.3696000       15.53000      0.3532000      0.9873000      0.5112000
  1 1 1     -17   -6    6 o    5.396000      0.2589000       5.481000 0.3667000       5.311000      0.3656000      0.1703000      0.5178000
  1 1 1     -17   -6    7 o    7.635000      0.2243000       7.744000 0.3117000       7.525000      0.3226000      0.2194000      0.4486000
  1 1 1     -17   -6    8 o    3.006000      0.5440000       3.928000 0.7260000       2.084000      0.8103000       1.843000       1.088000
  1 1 1     -17   -6    9 o    9.316000      0.3283000       9.367000 0.4780000       9.265000      0.4501000      0.1017000      0.6566000
  1 1 1     -17   -6   10 o    3.411000      0.4350000       3.469000 0.6023000       3.353000      0.6277000      0.1153000      0.8699000
  1 1 1     -17   -6   11 o    8.893000      0.2419000       9.215000 0.3381000       8.572000      0.3461000      0.6425000      0.4839000
  1 1 1     -17   -6   12 o    5.942000      0.3931000       6.105000 0.5321000       5.778000      0.5788000      0.3275000      0.7863000
  1 1 1     -17   -6   13 o    6.725000      0.2810000       6.695000 0.3958000       6.755000      0.3989000     -0.5984000E-01  0.5620000
  1 1 1     -17   -6   14 o    10.16000      0.2490000       10.36000 0.3519000       9.955000      0.3522000      0.4012000      0.4979000
  1 1 1     -17   -6   15 o    6.512000      0.2870000       6.309000 0.4163000       6.714000      0.3953000     -0.4052000      0.5741000
  1 1 1     -17   -6   16 o    12.67000      0.2613000       13.13000 0.3730000       12.21000      0.3662000      0.9209000      0.5227000
  1 1 1     -17   -6   17 o    8.783000      0.2705000       9.029000 0.3772000       8.536000      0.3878000      0.4936000      0.5410000
  1 1 1     -17   -6   18 o    10.12000      0.2643000       9.870000 0.3750000       10.37000      0.3724000     -0.5030000      0.5285000
  1 1 1     -17   -6   19 o    9.043000      0.2739000       8.817000 0.3892000       9.269000      0.3856000     -0.4514000      0.5478000
  1 1 1     -17   -6   20 f    5.169000      0.3913000       5.980000 0.4779000       4.359000      0.6198000       1.621000      0.7826000
  1 1 1     -17   -6   21 o    12.99000      0.2719000       13.14000 0.3848000       12.84000      0.3843000      0.2924000      0.5438000
  1 1 1     -17   -6   22 o    19.88000      0.3235000       19.61000 0.4543000       20.15000      0.4606000     -0.5395000      0.6470000
  1 1 1     -17   -6   23 o    5.258000      0.4267000       5.637000 0.5669000       4.878000      0.6379000      0.7594000      0.8535000
  1 1 1     -17   -6   24 o    10.02000      0.2982000       9.571000 0.4239000       10.47000      0.4194000     -0.8974000      0.5963000
  1 1 1     -17   -6   25 o    5.401000      0.6311000       6.279000 0.8198000       4.522000      0.9597000       1.757000       1.262000
  1 1 1     -17   -6   26 o    6.406000      0.3908000       6.107000 0.5781000       6.706000      0.5259000     -0.5990000      0.7815000
  1 1 1     -17   -6   27 o    3.545000      0.7140000       4.041000 0.8801000       3.049000       1.125000      0.9923000       1.428000
  1 1 1     -17   -6   28 o    5.206000      0.7265000       5.400000 0.9338000       5.012000       1.113000      0.3877000       1.453000
  1 1 1     -17   -6   29 o    1.970000      0.5997000       1.811000 0.8084000       2.129000      0.8860000     -0.3183000       1.199000
  1 1 1     -17   -6   30 o    2.837000      0.6611000       3.274000 0.9581000       2.399000      0.9111000      0.8748000       1.322000
  1 1 1     -17   -6   31 o    3.291000      0.6523000       3.716000 0.8849000       2.865000      0.9587000      0.8517000       1.305000
  1 1 1     -17   -6   32 o    5.657000      0.4394000       5.288000 0.6713000       6.027000      0.5670000     -0.7385000      0.8787000
  1 1 1     -17   -6   33 o    5.460000      0.4708000       5.626000 0.6759000       5.294000      0.6556000      0.3324000      0.9416000
  1 1 1     -17   -5    1 o    6.890000      0.2083000       7.254000 0.2917000       6.526000      0.2975000      0.7277000      0.4166000
  1 1 1     -17   -5    2 o    3.367000      0.3309000       3.219000 0.4943000       3.515000      0.4402000     -0.2959000      0.6619000
  1 1 1     -17   -5    3 o    7.033000      0.2147000       7.204000 0.3032000       6.862000      0.3039000      0.3417000      0.4293000
  1 1 1     -17   -5    4 o    11.36000      0.2163000       11.31000 0.3046000       11.40000      0.3072000     -0.9034000E-01  0.4326000
  1 1 1     -17   -5    5 o    5.079000      0.2665000       4.933000 0.3868000       5.226000      0.3666000     -0.2931000      0.5329000
  1 1 1     -17   -5    6 o    9.551000      0.2150000       10.12000 0.3076000       8.978000      0.3005000       1.145000      0.4300000
  1 1 1     -17   -5    7 o    10.59000      0.2218000       10.63000 0.3178000       10.54000      0.3096000      0.8519000E-01  0.4437000
  1 1 1     -17   -5    8 o    2.860000      0.5309000       1.948000 0.7973000       3.771000      0.7012000      -1.823000       1.062000
  1 1 1     -17   -5    9 o    11.28000      0.3217000       10.81000 0.4564000       11.74000      0.4536000     -0.9269000      0.6435000
  1 1 1     -17   -5   10 o    5.183000      0.2965000       5.632000 0.3936000       4.733000      0.4437000      0.8985000      0.5931000
  1 1 1     -17   -5   11 o    11.87000      0.3386000       12.28000 0.4708000       11.47000      0.4869000      0.8135000      0.6773000
  1 1 1     -17   -5   12 o    11.80000      0.3356000       11.71000 0.4645000       11.88000      0.4846000     -0.1687000      0.6712000
  1 1 1     -17   -5   13 o    5.336000      0.3054000       5.614000 0.4106000       5.058000      0.4523000      0.5564000      0.6109000
  1 1 1     -17   -5   14 o    9.064000      0.2504000       9.520000 0.3500000       8.608000      0.3580000      0.9123000      0.5007000
  1 1 1     -17   -5   15 o    17.71000      0.2888000       18.04000 0.4128000       17.37000      0.4041000      0.6689000      0.5777000
  1 1 1     -17   -5   16 o    8.311000      0.2753000       8.644000 0.3846000       7.978000      0.3940000      0.6660000      0.5506000
  1 1 1     -17   -5   17 o    9.309000      0.2659000       9.173000 0.3766000       9.445000      0.3755000     -0.2715000      0.5318000
  1 1 1     -17   -5   18 o    3.472000      0.5192000       3.543000 0.7214000       3.401000      0.7470000      0.1416000       1.038000
  1 1 1     -17   -5   19 o    8.303000      0.2835000       8.421000 0.3935000       8.185000      0.4083000      0.2358000      0.5671000
  1 1 1     -17   -5   20 o    9.724000      0.2753000       9.617000 0.3903000       9.830000      0.3884000     -0.2127000      0.5506000
  1 1 1     -17   -5   21 f    16.67000      0.2936000       16.41000 0.4120000       16.94000      0.4184000     -0.5306000      0.5872000
  1 1 1     -17   -5   22 o    11.97000      0.2722000       11.93000 0.3882000       12.00000      0.3816000     -0.7099000E-01  0.5443000
  1 1 1     -17   -5   23 o    7.612000      0.3180000       7.428000 0.4608000       7.796000      0.4383000     -0.3674000      0.6359000
  1 1 1     -17   -5   24 o    8.038000      0.3097000       8.280000 0.4338000       7.796000      0.4422000      0.4837000      0.6195000
  1 1 1     -17   -5   25 o    5.946000      0.5618000       5.361000 0.8818000       6.530000      0.6961000      -1.169000       1.124000
  1 1 1     -17   -5   26 o    3.366000      0.6357000       3.894000 0.8436000       2.838000      0.9513000       1.056000       1.271000
  1 1 1     -17   -5   27 o    2.551000       1.062000       2.551000 1.062000                  ?              ?              ?              ?
  1 1 1     -17   -5   28 o    6.868000      0.5737000       6.004000 0.8833000       7.731000      0.7324000      -1.727000       1.147000
  1 1 1     -17   -5   29 o    5.400000      0.6279000                  ?       ?   5.400000      0.6279000                  ?              ?
  1 1 1     -17   -5   30 o    2.513000      0.6140000       3.316000 0.9470000       1.710000      0.7817000       1.606000       1.228000
  1 1 1     -17   -5   31 o    3.106000      0.6510000       3.768000 0.9038000       2.443000      0.9372000       1.325000       1.302000
  1 1 1     -17   -5   32 o    1.928000      0.5988000       2.132000 0.8984000       1.724000      0.7918000      0.4076000       1.198000
  1 1 1     -17   -5   33 o    8.399000      0.3357000       8.620000 0.4789000       8.178000      0.4706000      0.4415000      0.6714000
  1 1 1     -17   -4    1 o    4.119000      0.2729000       4.336000 0.3777000       3.902000      0.3941000      0.4344000      0.5459000
  1 1 1     -17   -4    2 o    11.68000      0.2137000       11.82000 0.3017000       11.54000      0.3026000      0.2847000      0.4273000
  1 1 1     -17   -4    3 o    9.509000      0.2039000       9.700000 0.2863000       9.319000      0.2903000      0.3805000      0.4077000
  1 1 1     -17   -4    4 o    5.123000      0.2520000       5.570000 0.3305000       4.676000      0.3806000      0.8941000      0.5041000
  1 1 1     -17   -4    5 o    2.470000      0.4421000       2.666000 0.6011000       2.273000      0.6484000      0.3931000      0.8842000
  1 1 1     -17   -4    6 o    4.710000      0.2829000       4.374000 0.4107000       5.045000      0.3890000     -0.6708000      0.5657000
  1 1 1     -17   -4    7 o    8.508000      0.2226000       8.628000 0.3162000       8.388000      0.3132000      0.2401000      0.4451000
  1 1 1     -17   -4    8 o    7.480000      0.3260000       7.634000 0.4709000       7.326000      0.4509000      0.3083000      0.6520000
  1 1 1     -17   -4    9 o    6.918000      0.3408000       7.120000 0.4890000       6.716000      0.4749000      0.4038000      0.6817000
  1 1 1     -17   -4   10 o    6.550000      0.2546000       6.413000 0.3661000       6.687000      0.3540000     -0.2742000      0.5092000
  1 1 1     -17   -4   11 o    7.543000      0.3467000       7.112000 0.4901000       7.974000      0.4904000     -0.8617000      0.6933000
  1 1 1     -17   -4   12 o    7.626000      0.3489000       8.177000 0.4690000       7.075000      0.5167000       1.103000      0.6979000
  1 1 1     -17   -4   13 o    12.47000      0.2483000       12.02000 0.3474000       12.92000      0.3549000     -0.8974000      0.4966000
  1 1 1     -17   -4   14 o    3.741000      0.4094000       3.832000 0.5663000       3.650000      0.5913000      0.1815000      0.8187000
  1 1 1     -17   -4   15 o    18.42000      0.2958000       18.33000 0.4171000       18.51000      0.4195000     -0.1838000      0.5915000
  1 1 1     -17   -4   16 o    3.850000      0.4422000       3.455000 0.6880000       4.245000      0.5557000     -0.7898000      0.8844000
  1 1 1     -17   -4   17 o    14.40000      0.2688000       14.68000 0.3826000       14.12000      0.3777000      0.5591000      0.5376000
  1 1 1     -17   -4   18 o    8.158000      0.2752000       8.161000 0.3896000       8.155000      0.3887000      0.6441000E-02  0.5504000
  1 1 1     -17   -4   19 o    8.969000      0.2660000       9.457000 0.3684000       8.481000      0.3839000      0.9762000      0.5320000
  1 1 1     -17   -4   20 f    13.59000      0.2715000       13.78000 0.3841000       13.39000      0.3839000      0.3922000      0.5430000
  1 1 1     -17   -4   21 o    12.05000      0.2690000       12.31000 0.3827000       11.78000      0.3781000      0.5336000      0.5379000
  1 1 1     -17   -4   22 o    3.345000      0.5747000       3.076000 0.8426000       3.613000      0.7818000     -0.5375000       1.149000
  1 1 1     -17   -4   23 o    10.52000      0.2796000       10.41000 0.4004000       10.63000      0.3904000     -0.2154000      0.5592000
  1 1 1     -17   -4   24 o    3.116000      0.7115000       2.399000 1.008000       3.834000       1.004000      -1.436000       1.423000
  1 1 1     -17   -4   25 o    7.488000      0.4478000       7.608000 0.6524000       7.368000      0.6134000      0.2398000      0.8955000
  1 1 1     -17   -4   26 o    2.778000      0.6261000       3.459000 0.8968000       2.098000      0.8740000       1.361000       1.252000
  1 1 1     -17   -4   27 o    3.481000      0.8093000       3.530000 1.135000       3.433000       1.154000      0.9716000E-01   1.619000
  1 1 1     -17   -4   28 o    5.748000      0.4615000       6.020000 0.6369000       5.477000      0.6679000      0.5429000      0.9229000
  1 1 1     -17   -4   29 o    3.546000      0.8809000                  ?       ?   3.546000      0.8809000                  ?              ?
  1 1 1     -17   -4   30 o    3.961000      0.6094000       4.074000 0.8889000       3.847000      0.8339000      0.2265000       1.219000
  1 1 1     -17   -4   31 o    4.136000      0.5760000       4.124000 0.8304000       4.149000      0.7985000     -0.2587000E-01   1.152000
  1 1 1     -17   -4   32 o    3.245000      0.6422000       2.853000 0.9456000       3.638000      0.8693000     -0.7851000       1.284000
  1 1 1     -17   -4   33 o    4.171000      0.5786000       4.342000 0.8069000       3.999000      0.8294000      0.3424000       1.157000
  1 1 1     -17   -3    1 o    8.046000      0.1986000       8.052000 0.2840000       8.041000      0.2776000      0.1061000E-01  0.3972000
  1 1 1     -17   -3    2 o    18.70000      0.2801000       19.23000 0.4052000       18.18000      0.3867000       1.047000      0.5601000
  1 1 1     -17   -3    3 o    5.279000      0.2385000       5.310000 0.3335000       5.248000      0.3410000      0.6224000E-01  0.4770000
  1 1 1     -17   -3    4 o    2.771000      0.4036000       2.795000 0.5550000       2.746000      0.5861000      0.4919000E-01  0.8072000
  1 1 1     -17   -3    5 o    14.51000      0.2414000       14.67000 0.3432000       14.35000      0.3395000      0.3217000      0.4828000
  1 1 1     -17   -3    6 o    5.691000      0.2471000       6.234000 0.3392000       5.147000      0.3596000       1.088000      0.4943000
  1 1 1     -17   -3    7 o    6.960000      0.2323000       6.818000 0.3368000       7.102000      0.3199000     -0.2837000      0.4646000
  1 1 1     -17   -3    8 o    4.760000      0.4009000       4.724000 0.5797000       4.796000      0.5540000     -0.7236000E-01  0.8019000
  1 1 1     -17   -3    9 o    1.762000      0.4850000       1.655000 0.6663000       1.869000      0.7050000     -0.2136000      0.9700000
  1 1 1     -17   -3   10 o    5.990000      0.2681000       5.948000 0.3802000       6.033000      0.3780000     -0.8522000E-01  0.5361000
  1 1 1     -17   -3   11 o    4.857000      0.4505000       4.275000 0.6786000       5.439000      0.5925000      -1.163000      0.9009000
  1 1 1     -17   -3   12 o    6.640000      0.2763000       6.813000 0.3862000       6.466000      0.3952000      0.3470000      0.5525000
  1 1 1     -17   -3   13 o    14.39000      0.2595000       14.40000 0.3688000       14.39000      0.3651000      0.6249000E-02  0.5189000
  1 1 1     -17   -3   14 o    7.198000      0.2623000       7.059000 0.3767000       7.338000      0.3650000     -0.2785000      0.5246000
  1 1 1     -17   -3   15 o    5.199000      0.3337000       4.963000 0.4882000       5.435000      0.4550000     -0.4724000      0.6674000
  1 1 1     -17   -3   16 o    16.60000      0.2812000       16.90000 0.4012000       16.30000      0.3942000      0.6007000      0.5625000
  1 1 1     -17   -3   17 o    15.62000      0.2750000       15.30000 0.3853000       15.93000      0.3923000     -0.6275000      0.5499000
  1 1 1     -17   -3   18 o    13.48000      0.2619000       13.60000 0.3724000       13.37000      0.3684000      0.2327000      0.5238000
  1 1 1     -17   -3   19 o    7.753000      0.2818000       7.535000 0.4086000       7.971000      0.3882000     -0.4352000      0.5636000
  1 1 1     -17   -3   20 o    15.75000      0.2840000       15.47000 0.3996000       16.02000      0.4037000     -0.5496000      0.5680000
  1 1 1     -17   -3   21 o    15.45000      0.2809000       15.12000 0.3936000       15.78000      0.4009000     -0.6579000      0.5618000
  1 1 1     -17   -3   22 o    11.90000      0.2764000       12.43000 0.3868000       11.38000      0.3949000       1.042000      0.5528000
  1 1 1     -17   -3   23 o    2.921000      0.6121000       2.729000 0.8711000       3.113000      0.8602000     -0.3841000       1.224000
  1 1 1     -17   -3   24 o    14.38000      0.3982000       14.46000 0.5716000       14.29000      0.5546000      0.1732000      0.7964000
  1 1 1     -17   -3   25 o    3.888000      0.5555000       4.435000 0.7081000       3.342000      0.8560000       1.093000       1.111000
  1 1 1     -17   -3   26 o    7.146000      0.3583000       6.823000 0.5183000       7.469000      0.4947000     -0.6462000      0.7165000
  1 1 1     -17   -3   27 o    6.245000      0.6011000       5.555000 0.8941000       6.935000      0.8036000      -1.380000       1.202000
  1 1 1     -17   -3   28 o    7.277000      0.3732000       7.435000 0.5253000       7.118000      0.5303000      0.3172000      0.7464000
  1 1 1     -17   -3   29 o    6.347000      0.3887000       5.947000 0.5811000       6.748000      0.5164000     -0.8007000      0.7774000
  1 1 1     -17   -3   30 f    4.127000      0.5944000       2.927000 0.9891000       5.326000      0.6593000      -2.399000       1.189000
  1 1 1     -17   -3   31 o    3.836000      0.5964000       3.034000 0.9769000       4.637000      0.6846000      -1.603000       1.193000
  1 1 1     -17   -3   32 o    4.346000      0.5597000       4.195000 0.8225000       4.496000      0.7594000     -0.3002000       1.119000
  1 1 1     -17   -3   33 o    3.665000      0.6118000       3.874000 0.8566000       3.457000      0.8739000      0.4176000       1.224000
  1 1 1     -17   -2    1 o    6.142000      0.2090000       6.201000 0.3026000       6.084000      0.2885000      0.1164000      0.4181000
  1 1 1     -17   -2    2 o    5.519000      0.2258000       5.374000 0.3261000       5.663000      0.3125000     -0.2884000      0.4517000
  1 1 1     -17   -2    3 o    7.434000      0.2053000       7.483000 0.2887000       7.385000      0.2920000      0.9810000E-01  0.4106000
  1 1 1     -17   -2    4 o    4.506000      0.2577000       4.402000 0.3718000       4.609000      0.3570000     -0.2066000      0.5154000
  1 1 1     -17   -2    5 o    8.287000      0.2132000       8.569000 0.2985000       8.005000      0.3044000      0.5643000      0.4264000
  1 1 1     -17   -2    6 o    7.396000      0.2259000       7.554000 0.3197000       7.238000      0.3193000      0.3155000      0.4518000
  1 1 1     -17   -2    7 o    10.07000      0.3026000       10.30000 0.4324000       9.831000      0.4235000      0.4705000      0.6052000
  1 1 1     -17   -2    8 o    5.896000      0.3427000       5.761000 0.5057000       6.031000      0.4626000     -0.2707000      0.6854000
  1 1 1     -17   -2    9 o    2.935000      0.4579000       2.396000 0.7115000       3.475000      0.5766000      -1.079000      0.9158000
  1 1 1     -17   -2   10 f    9.589000      0.3227000       9.648000 0.4491000       9.531000      0.4636000      0.1175000      0.6454000
  1 1 1     -17   -2   11 f    2.127000      0.5910000       2.307000 0.8518000       1.947000      0.8194000      0.3595000       1.182000
  1 1 1     -17   -2   12 o    4.112000      0.3369000       3.873000 0.4991000       4.352000      0.4528000     -0.4793000      0.6739000
  1 1 1     -17   -2   13 o    13.08000      0.2482000       13.09000 0.3538000       13.08000      0.3481000      0.9283000E-02  0.4963000
  1 1 1     -17   -2   14 o    7.201000      0.2627000       7.221000 0.3776000       7.181000      0.3653000      0.4019000E-01  0.5254000
  1 1 1     -17   -2   15 o    3.545000      0.4675000       3.369000 0.6843000       3.721000      0.6371000     -0.3513000      0.9349000
  1 1 1     -17   -2   16 o    7.563000      0.2681000       7.863000 0.3849000       7.262000      0.3734000      0.6016000      0.5363000
  1 1 1     -17   -2   17 o    3.641000      0.4821000       3.517000 0.6940000       3.766000      0.6693000     -0.2492000      0.9641000
  1 1 1     -17   -2   18 o    10.63000      0.2537000       11.10000 0.3578000       10.17000      0.3599000      0.9329000      0.5075000
  1 1 1     -17   -2   19 o    6.504000      0.3124000       6.954000 0.4133000       6.055000      0.4686000      0.8992000      0.6248000
  1 1 1     -17   -2   20 o    11.88000      0.2586000       11.86000 0.3647000       11.90000      0.3667000     -0.4426000E-01  0.5172000
  1 1 1     -17   -2   21 o    13.94000      0.3463000       13.83000 0.3855000       14.05000      0.5754000     -0.2106000      0.6926000
  1 1 1     -17   -2   22 o    5.802000      0.3602000       5.439000 0.5393000       6.165000      0.4776000     -0.7260000      0.7204000
  1 1 1     -17   -2   23 o    6.191000      0.3495000       6.158000 0.5122000       6.224000      0.4757000     -0.6602000E-01  0.6990000
  1 1 1     -17   -2   24 o    13.27000      0.3872000       13.16000 0.5542000       13.38000      0.5410000     -0.2266000      0.7745000
  1 1 1     -17   -2   25 o    2.327000      0.6318000       2.300000 0.8960000       2.353000      0.8910000     -0.5221000E-01   1.264000
  1 1 1     -17   -2   26 o    7.907000      0.5167000       6.986000 0.7783000       8.829000      0.6797000      -1.843000       1.033000
  1 1 1     -17   -2   27 o    5.651000      0.6337000       6.244000 0.7987000       5.057000      0.9840000       1.186000       1.267000
  1 1 1     -17   -2   28 o    2.572000      0.6654000       2.850000 0.9629000       2.294000      0.9187000      0.5567000       1.331000
  1 1 1     -17   -2   29 o    7.869000      0.3495000       7.889000 0.5066000       7.849000      0.4817000      0.3989000E-01  0.6990000
  1 1 1     -17   -2   30 o    2.615000      0.6687000       2.946000 0.9858000       2.285000      0.9039000      0.6600000       1.337000
  1 1 1     -17   -2   31 o    5.594000      0.4533000       4.768000 0.7338000       6.419000      0.5326000      -1.651000      0.9067000
  1 1 1     -17   -2   32 o    3.337000      0.6615000       3.369000 0.9424000       3.305000      0.9287000      0.6465000E-01   1.323000
  1 1 1     -17   -2   33 o    7.490000      0.3482000       7.455000 0.5085000       7.525000      0.4759000     -0.7072000E-01  0.6964000
  1 1 1     -17   -1    1 o    9.831000      0.2000000       10.04000 0.2895000       9.626000      0.2760000      0.4102000      0.4000000
  1 1 1     -17   -1    2 o    8.487000      0.1997000       8.524000 0.2875000       8.451000      0.2773000      0.7353000E-01  0.3994000
  1 1 1     -17   -1    3 o    11.02000      0.2099000       10.96000 0.2977000       11.09000      0.2960000     -0.1292000      0.4198000
  1 1 1     -17   -1    4 o    4.121000      0.2898000       4.178000 0.3998000       4.063000      0.4197000      0.1151000      0.5797000
  1 1 1     -17   -1    5 o    3.312000      0.3599000       3.192000 0.5205000       3.431000      0.4971000     -0.2388000      0.7197000
  1 1 1     -17   -1    6 o    6.167000      0.2350000       6.537000 0.3273000       5.798000      0.3373000      0.7383000      0.4700000
  1 1 1     -17   -1    7 o    8.801000      0.3062000       8.649000 0.4415000       8.952000      0.4245000     -0.3031000      0.6124000
  1 1 1     -17   -1    8 o    4.649000      0.2906000       4.332000 0.4327000       4.966000      0.3880000     -0.6341000      0.5812000
  1 1 1     -17   -1    9 o    6.220000      0.2513000       6.092000 0.3625000       6.348000      0.3480000     -0.2560000      0.5025000
  1 1 1     -17   -1   10 o    9.514000      0.3387000       9.556000 0.4750000       9.472000      0.4829000      0.8448000E-01  0.6774000
  1 1 1     -17   -1   11 o    8.932000      0.2352000       9.112000 0.3331000       8.752000      0.3322000      0.3596000      0.4704000
  1 1 1     -17   -1   12 f    9.213000      0.2403000       9.180000 0.3398000       9.246000      0.3399000     -0.6677000E-01  0.4806000
  1 1 1     -17   -1   13 f    11.83000      0.2394000       11.57000 0.3346000       12.10000      0.3424000     -0.5269000      0.4787000
  1 1 1     -17   -1   14 o    6.888000      0.2750000       6.720000 0.3896000       7.057000      0.3884000     -0.3369000      0.5501000
  1 1 1     -17   -1   15 o    4.974000      0.3460000       5.118000 0.4759000       4.830000      0.5022000      0.2882000      0.6919000
  1 1 1     -17   -1   16 o    5.981000      0.2925000       5.852000 0.4081000       6.110000      0.4193000     -0.2577000      0.5851000
  1 1 1     -17   -1   17 o    8.923000      0.2618000       8.932000 0.3676000       8.913000      0.3729000      0.1977000E-01  0.5236000
  1 1 1     -17   -1   18 o    3.230000      0.5097000       2.523000 0.8034000       3.936000      0.6275000      -1.413000       1.019000
  1 1 1     -17   -1   19 o    10.18000      0.2587000       9.957000 0.3716000       10.41000      0.3599000     -0.4535000      0.5173000
  1 1 1     -17   -1   20 o    3.206000      0.5414000       3.208000 0.7598000       3.204000      0.7714000      0.4711000E-02   1.083000
  1 1 1     -17   -1   21 o    3.156000      0.5313000       2.465000 0.8481000       3.847000      0.6403000      -1.382000       1.063000
  1 1 1     -17   -1   22 o    9.688000      0.2718000       9.910000 0.3876000       9.466000      0.3811000      0.4439000      0.5436000
  1 1 1     -17   -1   23 o    8.033000      0.4329000       7.146000 0.6622000       8.920000      0.5578000      -1.774000      0.8658000
  1 1 1     -17   -1   24 o    10.70000      0.2915000       11.21000 0.4136000       10.20000      0.4110000       1.001000      0.5831000
  1 1 1     -17   -1   25 o    4.410000      0.5325000       3.291000 0.8900000       5.530000      0.5850000      -2.239000       1.065000
  1 1 1     -17   -1   26 o    6.432000      0.6004000       5.927000 0.8923000       6.936000      0.8035000      -1.008000       1.201000
  1 1 1     -17   -1   27 o    4.127000      0.5796000       4.492000 0.7526000       3.762000      0.8816000      0.7302000       1.159000
  1 1 1     -17   -1   28 o    7.745000      0.5187000       7.745000 0.5187000                  ?              ?              ?              ?
  1 1 1     -17   -1   29 o    4.549000      0.5557000       4.088000 0.8720000       5.011000      0.6892000     -0.9236000       1.111000
  1 1 1     -17   -1   30 o    2.771000      0.7486000       3.067000 1.178000       2.475000      0.9243000      0.5920000       1.497000
  1 1 1     -17   -1   31 o    2.486000      0.6474000       2.290000 0.9248000       2.683000      0.9063000     -0.3929000       1.295000
  1 1 1     -17   -1   32 o    3.226000      0.6292000       2.681000 0.9599000       3.771000      0.8139000      -1.091000       1.258000
  1 1 1     -17   -1   33 o    5.967000      0.4198000       5.648000 0.6384000       6.286000      0.5454000     -0.6383000      0.8397000
  1 1 1     -17    0    1 o    15.50000      0.2441000       15.55000 0.3452000       15.46000      0.3453000      0.9490000E-01  0.4882000
  1 1 1     -17    0    2 o    16.12000      0.2520000       16.16000 0.3575000       16.08000      0.3554000      0.8154000E-01  0.5041000
  1 1 1     -17    0    3 o    12.65000      0.2222000       12.63000 0.3121000       12.68000      0.3163000     -0.4791000E-01  0.4443000
  1 1 1     -17    0    4 o    5.502000      0.2426000       5.313000 0.3510000       5.691000      0.3351000     -0.3785000      0.4853000
  1 1 1     -17    0    5 o    5.730000      0.2424000       5.758000 0.3357000       5.702000      0.3499000      0.5540000E-01  0.4849000
  1 1 1     -17    0    6 f    4.453000      0.3985000       4.361000 0.5867000       4.545000      0.5395000     -0.1844000      0.7970000
  1 1 1     -17    0    7 o    1.725000      0.4395000       1.357000 0.5940000       2.093000      0.6479000     -0.7363000      0.8789000
  1 1 1     -17    0    8 o    5.325000      0.2761000       5.276000 0.3891000       5.374000      0.3919000     -0.9825000E-01  0.5523000
  1 1 1     -17    0    9 o    5.281000      0.3976000       5.115000 0.5641000       5.448000      0.5603000     -0.3327000      0.7951000
  1 1 1     -17    0   10 o    7.330000      0.3420000       7.647000 0.4726000       7.013000      0.4944000      0.6345000      0.6840000
  1 1 1     -17    0   11 o    14.65000      0.2562000       14.90000 0.3634000       14.40000      0.3614000      0.5005000      0.5125000
  1 1 1     -17    0   12 o    7.260000      0.2538000       7.216000 0.3607000       7.304000      0.3572000     -0.8767000E-01  0.5076000
  1 1 1     -17    0   13 o    9.119000      0.2376000       8.914000 0.3418000       9.323000      0.3303000     -0.4094000      0.4753000
  1 1 1     -17    0   14 f    11.67000      0.2422000       11.95000 0.3437000       11.39000      0.3414000      0.5543000      0.4844000
  1 1 1     -17    0   15 o    8.844000      0.2529000       9.350000 0.3533000       8.337000      0.3619000       1.013000      0.5058000
  1 1 1     -17    0   16 o    9.418000      0.2487000       9.029000 0.3557000       9.807000      0.3477000     -0.7781000      0.4974000
  1 1 1     -17    0   17 o    7.846000      0.2645000       7.825000 0.3743000       7.867000      0.3738000     -0.4244000E-01  0.5290000
  1 1 1     -17    0   18 o    6.809000      0.2987000       6.986000 0.4087000       6.632000      0.4357000      0.3532000      0.5974000
  1 1 1     -17    0   19 o    15.55000      0.2807000       16.17000 0.4014000       14.94000      0.3927000       1.235000      0.5615000
  1 1 1     -17    0   20 o    2.074000      0.5707000       2.288000 0.8368000       1.860000      0.7763000      0.4280000       1.141000
  1 1 1     -17    0   21 o    4.377000      0.4227000       4.006000 0.6405000       4.748000      0.5517000     -0.7420000      0.8454000
  1 1 1     -17    0   22 o    5.906000      0.4086000       6.242000 0.4545000       5.569000      0.6792000      0.6724000      0.8172000
  1 1 1     -17    0   23 o    2.917000      0.7003000       3.075000 1.014000       2.759000      0.9665000      0.3164000       1.401000
  1 1 1     -17    0   24 o    5.615000      0.3707000       5.507000 0.5196000       5.723000      0.5288000     -0.2153000      0.7414000
  1 1 1     -17    0   25 o    6.490000      0.5489000       6.518000 0.7893000       6.462000      0.7632000      0.5621000E-01   1.098000
  1 1 1     -17    0   26 o    4.748000      0.7472000       4.385000 1.069000       5.112000       1.045000     -0.7268000       1.494000
  1 1 1     -17    0   27 o    4.572000      0.5275000       4.283000 0.7906000       4.860000      0.6987000     -0.5776000       1.055000
  1 1 1     -17    0   28 o    5.356000      0.6227000       5.356000 0.6227000                  ?              ?              ?              ?
  1 1 1     -17    0   29 o    5.456000      0.4741000       4.947000 0.7311000       5.964000      0.6039000      -1.016000      0.9483000
  1 1 1     -17    0   30 o    2.920000      0.8751000                  ?       ?   2.920000      0.8751000                  ?              ?
  1 1 1     -17    0   31 o    5.443000      0.4728000       5.198000 0.7154000       5.688000      0.6185000     -0.4895000      0.9457000
  1 1 1     -17    0   32 o    4.294000      0.5326000       4.410000 0.7564000       4.178000      0.7498000      0.2322000       1.065000
  1 1 1     -17    1    1 o    13.74000      0.4667000                  ?       ?   13.74000      0.4667000                  ?              ?
  1 1 1     -17    1    2 o    8.788000      0.2029000       9.016000 0.2850000       8.559000      0.2888000      0.4573000      0.4057000
  1 1 1     -17    1    3 o    7.909000      0.2066000       7.943000 0.2956000       7.875000      0.2888000      0.6784000E-01  0.4133000
  1 1 1     -17    1    4 o    2.087000      0.4436000       2.010000 0.6424000       2.164000      0.6120000     -0.1546000      0.8873000
  1 1 1     -17    1    5 o    7.639000      0.2937000       7.801000 0.4288000       7.477000      0.4015000      0.3245000      0.5874000
  1 1 1     -17    1    6 o    8.982000      0.2940000       9.221000 0.4260000       8.744000      0.4053000      0.4767000      0.5880000
  1 1 1     -17    1    7 o    4.701000      0.2740000       4.950000 0.3757000       4.451000      0.3991000      0.4989000      0.5481000
  1 1 1     -17    1    8 o    8.301000      0.3125000       8.691000 0.4261000       7.911000      0.4573000      0.7799000      0.6250000
  1 1 1     -17    1    9 o    9.527000      0.3192000       9.815000 0.4299000       9.239000      0.4720000      0.5751000      0.6385000
  1 1 1     -17    1   10 o    9.596000      0.2318000       9.408000 0.3306000       9.784000      0.3250000     -0.3759000      0.4636000
  1 1 1     -17    1   11 o    10.88000      0.2365000       10.67000 0.3351000       11.10000      0.3338000     -0.4288000      0.4730000
  1 1 1     -17    1   12 o    7.191000      0.2409000       7.288000 0.3424000       7.095000      0.3390000      0.1931000      0.4818000
  1 1 1     -17    1   13 o    8.824000      0.2443000       8.821000 0.3465000       8.827000      0.3445000     -0.6141000E-02  0.4886000
  1 1 1     -17    1   14 o    6.247000      0.2665000       6.169000 0.3802000       6.326000      0.3736000     -0.1577000      0.5330000
  1 1 1     -17    1   15 o    11.07000      0.2419000       11.07000 0.3431000       11.06000      0.3412000      0.5067000E-02  0.4839000
  1 1 1     -17    1   16 o    8.537000      0.2589000       8.449000 0.3680000       8.626000      0.3641000     -0.1768000      0.5177000
  1 1 1     -17    1   17 o    7.356000      0.2802000       7.274000 0.3958000       7.438000      0.3967000     -0.1640000      0.5604000
  1 1 1     -17    1   18 o    8.863000      0.2524000       9.301000 0.3538000       8.425000      0.3602000      0.8758000      0.5049000
  1 1 1     -17    1   19 o    11.34000      0.2539000       11.76000 0.3596000       10.92000      0.3585000      0.8359000      0.5078000
  1 1 1     -17    1   20 o    8.696000      0.2629000       8.407000 0.3781000       8.984000      0.3655000     -0.5770000      0.5259000
  1 1 1     -17    1   21 o    13.87000      0.2716000       13.36000 0.3826000       14.38000      0.3856000      -1.028000      0.5432000
  1 1 1     -17    1   22 o    13.67000      0.3727000       13.11000 0.5265000       14.22000      0.5276000      -1.109000      0.7454000
  1 1 1     -17    1   23 f    6.720000      0.3262000       6.597000 0.4692000       6.844000      0.4532000     -0.2473000      0.6523000
  1 1 1     -17    1   24 o    16.60000      0.3008000       16.23000 0.4213000       16.97000      0.4295000     -0.7381000      0.6016000
  1 1 1     -17    1   25 f    6.291000      0.5283000       6.214000 0.7066000       6.369000      0.7854000     -0.1552000       1.057000
  1 1 1     -17    1   26 o    1.842000      0.5632000       1.675000 0.7648000       2.009000      0.8269000     -0.3342000       1.126000
  1 1 1     -17    1   27 o    5.146000      0.4706000       5.163000 0.6448000       5.129000      0.6857000      0.3411000E-01  0.9412000
  1 1 1     -17    1   28 o    5.019000      0.5307000       5.579000 0.6480000       4.459000      0.8405000       1.120000       1.061000
  1 1 1     -17    1   29 o    4.112000      0.5949000       3.358000 0.9631000       4.867000      0.6985000      -1.509000       1.190000
  1 1 1     -17    1   30 o    2.418000      0.6316000       1.929000 0.8921000       2.908000      0.8943000     -0.9792000       1.263000
  1 1 1     -17    1   31 f    3.157000      0.6273000       2.918000 0.9562000       3.395000      0.8121000     -0.4768000       1.255000
  1 1 1     -17    1   32 o    3.601000      0.5930000       3.983000 0.8005000       3.219000      0.8751000      0.7638000       1.186000
  1 1 1     -17    2    1 o    7.506000      0.2397000       7.005000 0.3676000       8.006000      0.3077000      -1.001000      0.4793000
  1 1 1     -17    2    2 o    1.375000      0.4247000       1.370000 0.5900000       1.381000      0.6109000     -0.1123000E-01  0.8493000
  1 1 1     -17    2    3 o    6.799000      0.2288000       6.628000 0.3067000       6.970000      0.3396000     -0.3426000      0.4576000
  1 1 1     -17    2    4 o    3.412000      0.5449000       3.803000 0.6381000       3.020000      0.8835000      0.7831000       1.090000
  1 1 1     -17    2    6 o    5.788000      0.3287000       6.116000 0.3338000       5.460000      0.5663000      0.6560000      0.6574000
  1 1 1     -17    2    7 o    6.969000      0.2963000       6.938000 0.3108000       7.000000      0.5046000     -0.6203000E-01  0.5926000
  1 1 1     -17    2    8 o    5.932000      0.3740000       5.489000 0.5434000       6.376000      0.5140000     -0.8876000      0.7480000
  1 1 1     -17    2    9 o    13.82000      0.2474000       13.60000 0.3472000       14.04000      0.3525000     -0.4441000      0.4948000
  1 1 1     -17    2   10 o    7.784000      0.2411000       7.727000 0.3459000       7.842000      0.3359000     -0.1151000      0.4822000
  1 1 1     -17    2   11 f    5.789000      0.2772000       5.949000 0.3890000       5.629000      0.3951000      0.3200000      0.5545000
  1 1 1     -17    2   12 o    2.953000      0.4646000       2.414000 0.7352000       3.491000      0.5682000      -1.077000      0.9292000
  1 1 1     -17    2   13 o    6.382000      0.2723000       6.331000 0.3851000       6.434000      0.3850000     -0.1034000      0.5445000
  1 1 1     -17    2   14 o    4.215000      0.3677000       4.479000 0.4937000       3.952000      0.5452000      0.5264000      0.7355000
  1 1 1     -17    2   15 o    13.93000      0.2561000       13.68000 0.3600000       14.18000      0.3644000     -0.4931000      0.5122000
  1 1 1     -17    2   16 o    1.806000      0.5137000       1.730000 0.7153000       1.882000      0.7374000     -0.1520000       1.027000
  1 1 1     -17    2   17 o    8.992000      0.2482000       8.977000 0.3558000       9.007000      0.3461000     -0.3002000E-01  0.4964000
  1 1 1     -17    2   18 o    5.467000      0.3257000       5.243000 0.4906000       5.690000      0.4284000     -0.4476000      0.6513000
  1 1 1     -17    2   19 o    10.35000      0.2606000       10.31000 0.3629000       10.39000      0.3740000     -0.8220000E-01  0.5211000
  1 1 1     -17    2   20 o    12.75000      0.2655000       12.62000 0.3760000       12.88000      0.3749000     -0.2563000      0.5309000
  1 1 1     -17    2   21 o    12.19000      0.3616000       11.34000 0.5125000       13.04000      0.5102000      -1.702000      0.7231000
  1 1 1     -17    2   22 o    10.65000      0.2617000       10.65000 0.3668000       10.66000      0.3732000     -0.1283000E-01  0.5233000
  1 1 1     -17    2   23 o    5.535000      0.3729000       5.110000 0.5654000       5.960000      0.4863000     -0.8507000      0.7458000
  1 1 1     -17    2   24 o    3.778000      0.7901000       4.077000 1.067000       3.479000       1.166000      0.5981000       1.580000
  1 1 1     -17    2   25 o    4.718000      0.4677000       5.252000 0.5856000       4.183000      0.7295000       1.069000      0.9355000
  1 1 1     -17    2   26 o    8.473000      0.3162000       8.477000 0.4480000       8.469000      0.4465000      0.8072000E-02  0.6324000
  1 1 1     -17    2   27 o    7.368000      0.3391000       7.993000 0.4456000       6.744000      0.5114000       1.249000      0.6783000
  1 1 1     -17    2   28 o    8.124000      0.3170000       8.430000 0.4344000       7.818000      0.4619000      0.6121000      0.6341000
  1 1 1     -17    2   29 o    2.311000      0.6332000       2.485000 0.9191000       2.138000      0.8713000      0.3468000       1.266000
  1 1 1     -17    2   30 o    2.314000      0.6421000       2.419000 0.9261000       2.208000      0.8898000      0.2108000       1.284000
  1 1 1     -17    2   31 o    1.747000      0.5589000       2.006000 0.8640000       1.488000      0.7092000      0.5179000       1.118000
  1 1 1     -17    2   32 o    2.739000      0.6467000       3.159000 0.9394000       2.319000      0.8890000      0.8395000       1.293000
  1 1 1     -17    3    1 o    1.782000      0.4548000       2.006000 0.6346000       1.558000      0.6517000      0.4475000      0.9096000
  1 1 1     -17    3    2 o    8.912000      0.2176000       9.054000 0.2918000       8.771000      0.3228000      0.2829000      0.4352000
  1 1 1     -17    3    3 o    3.106000      0.5803000       3.118000 0.7567000       3.095000      0.8799000      0.2284000E-01   1.161000
  1 1 1     -17    3    4 o    11.70000      0.3243000       11.52000 0.4340000       11.88000      0.4820000     -0.3570000      0.6486000
  1 1 1     -17    3    5 o    4.584000      0.3028000       4.279000 0.4157000       4.890000      0.4404000     -0.6113000      0.6056000
  1 1 1     -17    3    6 o    6.953000      0.2457000       6.898000 0.3245000       7.008000      0.3690000     -0.1095000      0.4914000
  1 1 1     -17    3    7 o    8.464000      0.3346000       7.706000 0.4781000       9.222000      0.4683000      -1.516000      0.6692000
  1 1 1     -17    3    8 o    6.980000      0.2538000       6.968000 0.3328000       6.992000      0.3832000     -0.2435000E-01  0.5076000
  1 1 1     -17    3    9 o    13.02000      0.2463000       12.84000 0.3362000       13.20000      0.3600000     -0.3571000      0.4926000
  1 1 1     -17    3   10 o    3.761000      0.3941000       3.704000 0.5087000       3.818000      0.6020000     -0.1132000      0.7881000
  1 1 1     -17    3   11 o    6.479000      0.2624000       6.329000 0.3570000       6.628000      0.3847000     -0.2996000      0.5248000
  1 1 1     -17    3   12 o    8.765000      0.2891000       8.602000 0.3329000       8.929000      0.4727000     -0.3270000      0.5782000
  1 1 1     -17    3   13 o    5.344000      0.2851000       5.415000 0.4029000       5.273000      0.4034000      0.1425000      0.5702000
  1 1 1     -17    3   14 o    8.038000      0.2379000       8.266000 0.3345000       7.809000      0.3385000      0.4570000      0.4759000
  1 1 1     -17    3   15 o    5.062000      0.3158000       4.705000 0.4709000       5.420000      0.4210000     -0.7149000      0.6317000
  1 1 1     -17    3   16 o    16.71000      0.2811000       16.38000 0.3934000       17.04000      0.4017000     -0.6663000      0.5622000
  1 1 1     -17    3   17 o    7.579000      0.2649000       7.596000 0.3686000       7.562000      0.3806000      0.3391000E-01  0.5298000
  1 1 1     -17    3   18 o    8.816000      0.2579000       8.907000 0.3618000       8.725000      0.3676000      0.1817000      0.5158000
  1 1 1     -17    3   19 o    10.70000      0.3024000       11.16000 0.3568000       10.24000      0.4882000      0.9267000      0.6047000
  1 1 1     -17    3   20 o    5.273000      0.4854000       5.035000 0.7043000       5.512000      0.6681000     -0.4776000      0.9708000
  1 1 1     -17    3   21 o    8.639000      0.3848000       8.394000 0.5534000       8.884000      0.5348000     -0.4902000      0.7696000
  1 1 1     -17    3   22 o    9.557000      0.2712000       9.411000 0.3855000       9.703000      0.3817000     -0.2922000      0.5425000
  1 1 1     -17    3   23 o    2.560000      0.7073000       2.459000 0.9761000       2.661000       1.024000     -0.2013000       1.415000
  1 1 1     -17    3   24 o    7.001000      0.4903000       7.534000 0.6493000       6.467000      0.7349000       1.068000      0.9807000
  1 1 1     -17    3   25 o    2.752000      0.6143000       3.020000 0.8603000       2.484000      0.8772000      0.5363000       1.229000
  1 1 1     -17    3   26 o    4.580000      0.4724000       4.453000 0.6889000       4.708000      0.6467000     -0.2555000      0.9449000
  1 1 1     -17    3   27 f    6.015000      0.3928000       6.479000 0.5297000       5.551000      0.5801000      0.9285000      0.7856000
  1 1 1     -17    3   28 o    6.901000      0.3647000       6.131000 0.5592000       7.670000      0.4682000      -1.539000      0.7294000
  1 1 1     -17    3   29 f    2.212000      0.6001000       2.440000 0.8706000       1.984000      0.8263000      0.4565000       1.200000
  1 1 1     -17    3   30 o    2.316000      0.5994000       1.877000 0.8054000       2.754000      0.8879000     -0.8768000       1.199000
  1 1 1     -17    3   31 o    2.416000      0.6364000       2.741000 0.9446000       2.091000      0.8531000      0.6503000       1.273000
  1 1 1     -17    4    1 o    2.571000      0.3909000       3.570000 0.4345000       1.572000      0.6499000       1.998000      0.7817000
  1 1 1     -17    4    2 o    5.307000      0.3931000       5.907000 0.4631000       4.707000      0.6354000       1.200000      0.7862000
  1 1 1     -17    4    3 o    6.083000      0.3444000       5.475000 0.4442000       6.691000      0.5263000      -1.216000      0.6887000
  1 1 1     -17    4    4 o    14.64000      0.2470000       14.19000 0.3364000       15.09000      0.3619000     -0.9030000      0.4941000
  1 1 1     -17    4    5 o    10.63000      0.2684000       10.78000 0.4356000       10.47000      0.3138000      0.3190000      0.5368000
  1 1 1     -17    4    6 f    1.912000      0.5435000       2.152000 0.7981000       1.672000      0.7380000      0.4808000       1.087000
  1 1 1     -17    4    7 o    10.40000      0.2356000       10.25000 0.3200000       10.56000      0.3460000     -0.3122000      0.4713000
  1 1 1     -17    4    8 o    2.787000      0.4524000       3.475000 0.5058000       2.100000      0.7502000       1.375000      0.9047000
  1 1 1     -17    4    9 o    7.857000      0.2465000       8.134000 0.3261000       7.580000      0.3699000      0.5542000      0.4931000
  1 1 1     -17    4   10 o    9.307000      0.2388000       9.375000 0.3195000       9.239000      0.3550000      0.1365000      0.4775000
  1 1 1     -17    4   11 o    8.200000      0.2541000       8.427000 0.3349000       7.973000      0.3823000      0.4539000      0.5082000
  1 1 1     -17    4   12 o    8.977000      0.2500000       8.851000 0.3443000       9.102000      0.3625000     -0.2506000      0.4999000
  1 1 1     -17    4   13 o    3.227000      0.4844000       3.497000 0.5947000       2.956000      0.7647000      0.5409000      0.9688000
  1 1 1     -17    4   14 o    5.844000      0.2982000       5.397000 0.4065000       6.290000      0.4364000     -0.8934000      0.5964000
  1 1 1     -17    4   15 o    4.234000      0.4037000       4.346000 0.4918000       4.122000      0.6403000      0.2238000      0.8074000
  1 1 1     -17    4   16 o    4.069000      0.4200000       4.300000 0.5138000       3.838000      0.6646000      0.4624000      0.8400000
  1 1 1     -17    4   17 f    15.29000      0.2817000       15.50000 0.3855000       15.08000      0.4109000      0.4243000      0.5635000
  1 1 1     -17    4   18 o    12.63000      0.2734000       13.11000 0.3714000       12.15000      0.4013000      0.9615000      0.5469000
  1 1 1     -17    4   19 o    6.328000      0.3586000       6.008000 0.4234000       6.648000      0.5788000     -0.6403000      0.7171000
  1 1 1     -17    4   20 o    6.488000      0.4687000       6.542000 0.5592000       6.433000      0.7524000      0.1089000      0.9375000
  1 1 1     -17    4   21 f    1.957000      0.5666000       2.135000 0.8132000       1.780000      0.7892000      0.3551000       1.133000
  1 1 1     -17    4   22 o    3.967000      0.6293000       3.415000 1.062000       4.520000      0.6753000      -1.104000       1.259000
  1 1 1     -17    4   23 o    7.544000      0.4753000       7.660000 0.6570000       7.427000      0.6871000      0.2333000      0.9507000
  1 1 1     -17    4   24 o    11.70000      0.3638000       11.91000 0.4005000       11.49000      0.6074000      0.4198000      0.7276000
  1 1 1     -17    4   25 o    3.407000      0.7213000       2.775000 0.9190000       4.039000       1.112000      -1.264000       1.443000
  1 1 1     -17    4   26 o    4.688000      0.4626000       4.871000 0.6345000       4.505000      0.6733000      0.3660000      0.9252000
  1 1 1     -17    4   27 o    7.894000      0.3198000       7.571000 0.4699000       8.218000      0.4339000     -0.6462000      0.6396000
  1 1 1     -17    4   28 o    3.525000      0.5837000       2.922000 0.9216000       4.127000      0.7167000      -1.205000       1.167000
  1 1 1     -17    4   29 o    1.982000      0.8488000       1.982000 0.8488000                  ?              ?              ?              ?
  1 1 1     -17    4   30 o    3.784000      0.5725000       2.967000 0.9360000       4.601000      0.6596000      -1.634000       1.145000
  1 1 1     -17    4   31 o    1.550000      0.7148000                  ?       ?   1.550000      0.7148000                  ?              ?
  1 1 1     -17    5    1 o    9.423000      0.3031000       9.197000 0.3924000       9.649000      0.4620000     -0.4521000      0.6061000
  1 1 1     -17    5    2 o    7.751000      0.3321000                  ?       ?   7.751000      0.3321000                  ?              ?
  1 1 1     -17    5    3 o    3.228000      0.3997000       3.046000 0.5601000       3.411000      0.5703000     -0.3647000      0.7993000
  1 1 1     -17    5    4 o    4.053000      0.4503000       4.012000 0.6329000       4.095000      0.6408000     -0.8259000E-01  0.9007000
  1 1 1     -17    5    5 o    5.157000      0.3924000       5.541000 0.4904000       4.773000      0.6127000      0.7673000      0.7848000
  1 1 1     -17    5    6 o    4.164000      0.3392000       3.898000 0.4709000       4.431000      0.4885000     -0.5327000      0.6785000
  1 1 1     -17    5    7 o    2.073000      0.5000000       2.349000 0.6955000       1.797000      0.7186000      0.5524000       1.000000
  1 1 1     -17    5    8 o    6.877000      0.2637000       6.915000 0.3496000       6.839000      0.3950000      0.7530000E-01  0.5275000
  1 1 1     -17    5    9 o    8.762000      0.2395000       9.286000 0.3142000       8.239000      0.3616000       1.047000      0.4790000
  1 1 1     -17    5   10 o    6.716000      0.2588000       6.624000 0.3407000       6.808000      0.3897000     -0.1836000      0.5176000
  1 1 1     -17    5   11 o    5.207000      0.3126000       4.761000 0.4427000       5.652000      0.4414000     -0.8908000      0.6251000
  1 1 1     -17    5   12 f    10.18000      0.2469000       9.822000 0.3398000       10.54000      0.3582000     -0.7174000      0.4937000
  1 1 1     -17    5   13 o    5.700000      0.3111000       5.905000 0.3977000       5.496000      0.4786000      0.4096000      0.6223000
  1 1 1     -17    5   14 f    2.201000      0.5509000       2.251000 0.7427000       2.152000      0.8137000      0.9876000E-01   1.102000
  1 1 1     -17    5   15 o    8.621000      0.2607000       8.398000 0.3521000       8.845000      0.3844000     -0.4470000      0.5213000
  1 1 1     -17    5   16 o    14.69000      0.2744000       14.52000 0.3748000       14.87000      0.4007000     -0.3527000      0.5487000
  1 1 1     -17    5   17 o    11.88000      0.2694000       12.09000 0.3660000       11.67000      0.3955000      0.4170000      0.5388000
  1 1 1     -17    5   18 f    4.422000      0.4541000       3.473000 0.7013000       5.371000      0.5770000      -1.898000      0.9082000
  1 1 1     -17    5   19 f    11.92000      0.3952000       11.04000 0.5080000       12.79000      0.6056000      -1.749000      0.7905000
  1 1 1     -17    5   20 o    6.800000      0.3424000       6.948000 0.4238000       6.651000      0.5378000      0.2971000      0.6847000
  1 1 1     -17    5   21 o    2.781000      0.6448000       2.695000 0.8409000       2.866000      0.9778000     -0.1705000       1.290000
  1 1 1     -17    5   22 o    3.421000      0.7804000       3.055000 1.104000       3.787000       1.103000     -0.7323000       1.561000
  1 1 1     -17    5   23 o    11.72000      0.2940000       11.57000 0.3864000       11.87000      0.4431000     -0.2956000      0.5879000
  1 1 1     -17    5   24 o    2.181000      0.5801000       1.327000 0.6438000       3.036000      0.9652000      -1.709000       1.160000
  1 1 1     -17    5   25 o    4.045000      0.5702000       4.473000 0.6481000       3.617000      0.9383000      0.8559000       1.140000
  1 1 1     -17    5   26 o    2.987000      0.6581000       2.800000 0.8856000       3.173000      0.9738000     -0.3732000       1.316000
  1 1 1     -17    5   27 o    3.378000      0.5844000       4.360000 0.6966000       2.396000      0.9385000       1.964000       1.169000
  1 1 1     -17    5   28 o    2.308000      0.5918000       2.763000 0.8394000       1.853000      0.8346000      0.9099000       1.184000
  1 1 1     -17    5   29 o    3.643000      0.7925000       3.643000 0.7925000                  ?              ?              ?              ?
  1 1 1     -17    5   30 o    2.680000      0.6347000       2.532000 0.8867000       2.827000      0.9084000     -0.2942000       1.269000
  1 1 1     -17    5   31 o    2.810000       1.091000                  ?       ?   2.810000       1.091000                  ?              ?
  1 1 1     -17    6    1 o    9.878000      0.2256000       10.11000 0.3135000       9.648000      0.3246000      0.4586000      0.4512000
  1 1 1     -17    6    2 o    7.560000      0.3560000                  ?       ?   7.560000      0.3560000                  ?              ?
  1 1 1     -17    6    3 o    7.599000      0.3674000       7.290000 0.5857000       7.909000      0.4439000     -0.6195000      0.7349000
  1 1 1     -17    6    4 o    8.825000      0.3466000       9.431000 0.5242000       8.219000      0.4536000       1.213000      0.6932000
  1 1 1     -17    6    5 o    4.918000      0.2818000       4.459000 0.3746000       5.378000      0.4209000     -0.9190000      0.5635000
  1 1 1     -17    6    6 o    10.74000      0.2344000       10.50000 0.3166000       10.99000      0.3457000     -0.4879000      0.4688000
  1 1 1     -17    6    7 o    9.166000      0.2343000       9.591000 0.3143000       8.741000      0.3477000      0.8500000      0.4687000
  1 1 1     -17    6    8 o    6.673000      0.2633000       6.574000 0.3575000       6.773000      0.3868000     -0.1989000      0.5267000
  1 1 1     -17    6    9 o    7.815000      0.2505000       8.368000 0.3291000       7.262000      0.3778000       1.105000      0.5010000
  1 1 1     -17    6   10 o    4.537000      0.3574000       5.156000 0.4049000       3.917000      0.5890000       1.239000      0.7147000
  1 1 1     -17    6   11 o    5.524000      0.3111000       5.416000 0.4115000       5.632000      0.4667000     -0.2164000      0.6222000
  1 1 1     -17    6   12 o    5.207000      0.3515000       5.588000 0.4137000       4.826000      0.5684000      0.7626000      0.7030000
  1 1 1     -17    6   13 o    7.115000      0.2728000       6.973000 0.3681000       7.256000      0.4027000     -0.2828000      0.5456000
  1 1 1     -17    6   14 o    2.545000      0.5372000       2.018000 0.7544000       3.073000      0.7651000      -1.055000       1.074000
  1 1 1     -17    6   15 o    14.19000      0.2707000       14.42000 0.3710000       13.95000      0.3944000      0.4694000      0.5415000
  1 1 1     -17    6   16 o    7.716000      0.3018000       7.755000 0.3890000       7.676000      0.4616000      0.7885000E-01  0.6037000
  1 1 1     -17    6   17 o    2.135000      0.5679000       2.108000 0.7657000       2.163000      0.8390000     -0.5529000E-01   1.136000
  1 1 1     -17    6   18 o    8.199000      0.4151000       8.222000 0.5095000       8.176000      0.6556000      0.4575000E-01  0.8303000
  1 1 1     -17    6   19 o    4.925000      0.4311000       3.758000 0.6769000       6.092000      0.5339000      -2.334000      0.8621000
  1 1 1     -17    6   20 o    2.006000      0.5516000       2.395000 0.8081000       1.616000      0.7509000      0.7788000       1.103000
  1 1 1     -17    6   21 o    2.658000      0.7148000       2.912000 1.040000       2.404000      0.9805000      0.5074000       1.430000
  1 1 1     -17    6   22 o    7.674000      0.3421000       7.920000 0.4227000       7.428000      0.5381000      0.4924000      0.6843000
  1 1 1     -17    6   23 o    5.389000      0.4637000       5.264000 0.5865000       5.514000      0.7184000     -0.2508000      0.9274000
  1 1 1     -17    6   24 o    8.576000      0.3497000       8.205000 0.4634000       8.948000      0.5238000     -0.7434000      0.6994000
  1 1 1     -17    6   25 o    4.221000      0.5879000       5.005000 0.5907000       3.437000       1.017000       1.568000       1.176000
  1 1 1     -17    6   26 o    4.069000      0.5722000       3.493000 0.8192000       4.644000      0.7990000      -1.152000       1.144000
  1 1 1     -17    6   27 o    2.703000      0.6342000       1.970000 0.8344000       3.437000      0.9553000      -1.467000       1.268000
  1 1 1     -17    6   28 o    1.856000      0.5809000       1.655000 0.7662000       2.057000      0.8733000     -0.4026000       1.162000
  1 1 1     -17    6   29 o    3.850000      0.5789000       4.339000 0.7147000       3.360000      0.9109000      0.9783000       1.158000
  1 1 1     -17    6   30 o    5.145000      0.4424000       4.989000 0.6431000       5.300000      0.6077000     -0.3106000      0.8848000
  1 1 1     -17    7    1 o    3.044000      0.6156000       2.589000 0.9717000       3.498000      0.7562000     -0.9084000       1.231000
  1 1 1     -17    7    2 o    9.806000      0.3652000       8.913000 0.5617000       10.70000      0.4668000      -1.787000      0.7304000
  1 1 1     -17    7    3 o    5.103000      0.3090000       5.574000 0.4017000       4.632000      0.4695000      0.9422000      0.6179000
  1 1 1     -17    7    4 o    5.822000      0.2844000       5.593000 0.4027000       6.051000      0.4018000     -0.4573000      0.5689000
  1 1 1     -17    7    5 o    8.956000      0.2356000       9.054000 0.3288000       8.858000      0.3375000      0.1962000      0.4712000
  1 1 1     -17    7    6 o    9.634000      0.2453000       9.887000 0.3425000       9.381000      0.3512000      0.5062000      0.4905000
  1 1 1     -17    7    7 o    6.367000      0.2756000       6.415000 0.3731000       6.319000      0.4058000      0.9531000E-01  0.5513000
  1 1 1     -17    7    8 o    12.82000      0.2488000       13.15000 0.3389000       12.50000      0.3643000      0.6589000      0.4975000
  1 1 1     -17    7    9 o    2.409000      0.5126000       2.566000 0.6753000       2.251000      0.7713000      0.3151000       1.025000
  1 1 1     -17    7   10 o    11.87000      0.2445000       12.01000 0.3293000       11.74000      0.3616000      0.2701000      0.4891000
  1 1 1     -17    7   11 o    9.397000      0.2513000       9.654000 0.3342000       9.141000      0.3755000      0.5134000      0.5027000
  1 1 1     -17    7   12 o    3.269000      0.4858000       3.574000 0.5844000       2.964000      0.7762000      0.6107000      0.9716000
  1 1 1     -17    7   13 o    6.006000      0.3129000       6.102000 0.4175000       5.910000      0.4660000      0.1920000      0.6257000
  1 1 1     -17    7   14 o    5.297000      0.3570000       4.888000 0.4854000       5.707000      0.5237000     -0.8197000      0.7140000
  1 1 1     -17    7   15 o    10.61000      0.2657000       10.71000 0.3597000       10.50000      0.3912000      0.2112000      0.5314000
  1 1 1     -17    7   16 o    2.653000      0.6935000       2.866000 0.9370000       2.439000       1.023000      0.4270000       1.387000
  1 1 1     -17    7   17 o    2.374000      0.6916000       2.198000 0.9037000       2.549000       1.047000     -0.3512000       1.383000
  1 1 1     -17    7   18 o    2.216000      0.5786000       2.387000 0.7794000       2.045000      0.8555000      0.3421000       1.157000
  1 1 1     -17    7   19 o    4.361000      0.4690000       4.114000 0.5751000       4.608000      0.7410000     -0.4932000      0.9380000
  1 1 1     -17    7   20 o    4.149000      0.6584000       3.765000 0.9520000       4.533000      0.9098000     -0.7680000       1.317000
  1 1 1     -17    7   21 o    4.858000      0.4690000       5.059000 0.5596000       4.658000      0.7527000      0.4008000      0.9380000
  1 1 1     -17    7   22 o    8.405000      0.3121000       7.864000 0.4113000       8.946000      0.4695000      -1.083000      0.6242000
  1 1 1     -17    7   23 o    5.211000      0.4579000       5.067000 0.6059000       5.355000      0.6866000     -0.2874000      0.9157000
  1 1 1     -17    7   24 o    5.723000      0.4423000       5.501000 0.5623000       5.945000      0.6829000     -0.4438000      0.8846000
  1 1 1     -17    7   25 o    8.296000      0.3501000       8.323000 0.4476000       8.270000      0.5383000      0.5379000E-01  0.7001000
  1 1 1     -17    7   26 o    4.428000      0.5829000       4.944000 0.6793000       3.912000      0.9475000       1.032000       1.166000
  1 1 1     -17    7   27 o    2.218000      0.6353000       2.118000 0.8691000       2.318000      0.9268000     -0.1999000       1.271000
  1 1 1     -17    7   28 o    1.927000      0.5884000       1.814000 0.8041000       2.039000      0.8593000     -0.2249000       1.177000
  1 1 1     -17    7   29 o    3.616000      0.5802000       3.290000 0.8417000       3.942000      0.7988000     -0.6527000       1.160000
  1 1 1     -17    8    1 o    6.501000      0.3219000       7.304000 0.3353000       5.697000      0.5497000       1.607000      0.6439000
  1 1 1     -17    8    2 o    2.029000      0.5008000       2.132000 0.6807000       1.926000      0.7348000      0.2061000       1.002000
  1 1 1     -17    8    3 o    5.278000      0.2921000       4.877000 0.4189000       5.678000      0.4072000     -0.8005000      0.5842000
  1 1 1     -17    8    4 o    4.980000      0.3038000       4.727000 0.4460000       5.233000      0.4127000     -0.5057000      0.6076000
  1 1 1     -17    8    5 o    9.792000      0.2416000       9.799000 0.3394000       9.784000      0.3440000      0.1458000E-01  0.4833000
  1 1 1     -17    8    6 o    5.516000      0.3114000       5.075000 0.4691000       5.956000      0.4096000     -0.8804000      0.6227000
  1 1 1     -17    8    7 o    1.694000      0.5044000       1.697000 0.7047000       1.691000      0.7217000      0.6120000E-02   1.009000
  1 1 1     -17    8    8 o    11.17000      0.2497000       11.17000 0.3522000       11.17000      0.3541000      0.8747000E-02  0.4995000
  1 1 1     -17    8    9 o    10.03000      0.2568000       10.06000 0.3652000       10.00000      0.3610000      0.6042000E-01  0.5135000
  1 1 1     -17    8   10 o    10.82000      0.2944000       11.41000 0.4589000       10.24000      0.3691000       1.173000      0.5889000
  1 1 1     -17    8   11 o    2.645000      0.4977000       3.238000 0.6075000       2.051000      0.7884000       1.187000      0.9953000
  1 1 1     -17    8   12 f    4.954000      0.3643000       5.158000 0.4391000       4.750000      0.5814000      0.4081000      0.7285000
  1 1 1     -17    8   13 o    7.401000      0.2740000       7.307000 0.3590000       7.495000      0.4141000     -0.1883000      0.5481000
  1 1 1     -17    8   14 f    5.276000      0.3439000       5.078000 0.4497000       5.474000      0.5204000     -0.3957000      0.6878000
  1 1 1     -17    8   15 o    6.055000      0.4812000       5.908000 0.5811000       6.203000      0.7672000     -0.2948000      0.9624000
  1 1 1     -17    8   16 o    7.280000      0.4366000       6.662000 0.5672000       7.898000      0.6639000      -1.236000      0.8732000
  1 1 1     -17    8   17 o    3.930000      0.4958000       3.220000 0.7566000       4.641000      0.6409000      -1.422000      0.9916000
  1 1 1     -17    8   18 o    4.461000      0.5161000       5.165000 0.7611000       3.757000      0.6971000       1.408000       1.032000
  1 1 1     -17    8   19 o    4.389000      0.6862000       5.041000 0.8421000       3.736000       1.084000       1.305000       1.372000
  1 1 1     -17    8   20 o    3.147000      0.6146000       2.806000 0.8480000       3.487000      0.8899000     -0.6802000       1.229000
  1 1 1     -17    8   21 o    2.994000      0.5571000       3.898000 0.6766000       2.090000      0.8853000       1.808000       1.114000
  1 1 1     -17    8   22 o    3.073000      0.5945000       2.313000 0.8454000       3.833000      0.8360000      -1.520000       1.189000
  1 1 1     -17    8   23 o    5.495000      0.4311000       5.618000 0.5085000       5.372000      0.6963000      0.2459000      0.8622000
  1 1 1     -17    8   24 o    2.412000      0.6552000       2.208000 0.8611000       2.616000      0.9877000     -0.4081000       1.310000
  1 1 1     -17    8   25 o    7.329000      0.3682000       6.821000 0.4973000       7.837000      0.5432000      -1.016000      0.7364000
  1 1 1     -17    8   26 o    4.781000      0.5113000       5.401000 0.5641000       4.161000      0.8528000       1.240000       1.023000
  1 1 1     -17    8   27 o    3.101000      0.6525000       3.160000 0.8862000       3.041000      0.9579000      0.1187000       1.305000
  1 1 1     -17    8   28 o    2.162000      0.6084000       1.865000 0.8024000       2.460000      0.9149000     -0.5954000       1.217000
  1 1 1     -17    8   29 o    2.481000      0.6430000       2.459000 0.8842000       2.503000      0.9340000     -0.4408000E-01   1.286000
  1 1 1     -17    9    1 o    2.361000      0.7022000       2.361000 0.7022000                  ?              ?              ?              ?
  1 1 1     -17    9    2 o    4.744000      0.3145000       4.900000 0.4182000       4.587000      0.4698000      0.3126000      0.6290000
  1 1 1     -17    9    3 o    4.697000      0.4909000                  ?       ?   4.697000      0.4909000                  ?              ?
  1 1 1     -17    9    4 o    4.452000      0.3554000       4.721000 0.4678000       4.183000      0.5352000      0.5380000      0.7108000
  1 1 1     -17    9    5 o    4.015000      0.3932000       3.661000 0.6097000       4.369000      0.4966000     -0.7074000      0.7864000
  1 1 1     -17    9    6 o    5.269000      0.3171000       5.519000 0.4159000       5.019000      0.4787000      0.5004000      0.6342000
  1 1 1     -17    9    7 o    13.16000      0.2549000       13.09000 0.3587000       13.24000      0.3622000     -0.1472000      0.5097000
  1 1 1     -17    9    8 f    1.941000      0.5309000       2.163000 0.7657000       1.720000      0.7357000      0.4436000       1.062000
  1 1 1     -17    9    9 f    12.24000      0.2577000       12.41000 0.3687000       12.07000      0.3600000      0.3447000      0.5153000
  1 1 1     -17    9   10 o    8.024000      0.2701000       8.128000 0.3733000       7.919000      0.3905000      0.2089000      0.5402000
  1 1 1     -17    9   11 o    5.706000      0.3326000       5.989000 0.4306000       5.422000      0.5070000      0.5669000      0.6652000
  1 1 1     -17    9   12 o    9.922000      0.2688000       9.988000 0.3777000       9.855000      0.3826000      0.1336000      0.5376000
  1 1 1     -17    9   13 o    8.057000      0.2784000       7.793000 0.3553000       8.321000      0.4287000     -0.5285000      0.5568000
  1 1 1     -17    9   14 o    6.886000      0.4249000       6.702000 0.5048000       7.071000      0.6836000     -0.3687000      0.8497000
  1 1 1     -17    9   15 o    6.652000      0.3173000       6.501000 0.4154000       6.804000      0.4797000     -0.3026000      0.6346000
  1 1 1     -17    9   16 o    4.031000      0.5073000       4.405000 0.5501000       3.657000      0.8526000      0.7487000       1.015000
  1 1 1     -17    9   17 o    13.02000      0.3855000       12.82000 0.5283000       13.22000      0.5616000     -0.3942000      0.7710000
  1 1 1     -17    9   18 o    10.01000      0.3850000       9.316000 0.5375000       10.70000      0.5514000      -1.384000      0.7700000
  1 1 1     -17    9   19 o    5.535000      0.4019000       5.597000 0.5137000       5.473000      0.6181000      0.1245000      0.8037000
  1 1 1     -17    9   20 o    2.121000      0.6159000       1.920000 0.7964000       2.322000      0.9396000     -0.4022000       1.232000
  1 1 1     -17    9   21 o    2.426000      0.6385000       2.275000 0.8513000       2.578000      0.9520000     -0.3025000       1.277000
  1 1 1     -17    9   22 o    2.227000      0.6187000       1.979000 0.8080000       2.476000      0.9371000     -0.4976000       1.237000
  1 1 1     -17    9   23 o    2.209000      0.6270000       2.240000 0.8694000       2.179000      0.9037000      0.6034000E-01   1.254000
  1 1 1     -17    9   24 o    5.390000      0.4471000       5.171000 0.5762000       5.608000      0.6839000     -0.4372000      0.8943000
  1 1 1     -17    9   25 o    4.717000      0.5232000       5.166000 0.6348000       4.268000      0.8318000      0.8982000       1.046000
  1 1 1     -17    9   26 f    3.094000      0.6022000       2.188000 0.8557000       3.999000      0.8476000      -1.811000       1.204000
  1 1 1     -17    9   27 o    2.194000      0.5847000       2.641000 0.8573000       1.746000      0.7954000      0.8949000       1.169000
  1 1 1     -17    9   28 o    2.993000      0.6471000       2.744000 0.9249000       3.243000      0.9052000     -0.4985000       1.294000
  1 1 1     -17   10    1 o    6.763000      0.3592000       6.763000 0.3592000                  ?              ?              ?              ?
  1 1 1     -17   10    2 o    7.773000      0.2417000       7.771000 0.3388000       7.775000      0.3449000     -0.3891000E-02  0.4835000
  1 1 1     -17   10    3 o    5.975000      0.4124000                  ?       ?   5.975000      0.4124000                  ?              ?
  1 1 1     -17   10    4 o    5.717000      0.2926000       5.627000 0.4260000       5.807000      0.4011000     -0.1805000      0.5851000
  1 1 1     -17   10    5 o    5.517000      0.3112000       5.231000 0.4504000       5.803000      0.4294000     -0.5721000      0.6223000
  1 1 1     -17   10    6 o    2.196000      0.5144000       2.543000 0.7266000       1.849000      0.7284000      0.6941000       1.029000
  1 1 1     -17   10    7 o    11.45000      0.2541000       11.58000 0.3605000       11.31000      0.3581000      0.2707000      0.5081000
  1 1 1     -17   10    8 o    6.910000      0.2875000       7.026000 0.4015000       6.795000      0.4115000      0.2309000      0.5750000
  1 1 1     -17   10    9 o    4.514000      0.4081000       5.171000 0.4956000       3.856000      0.6484000       1.315000      0.8161000
  1 1 1     -17   10   10 o    13.87000      0.2715000       13.88000 0.3899000       13.86000      0.3778000      0.2548000E-01  0.5429000
  1 1 1     -17   10   11 o    7.866000      0.2872000       7.768000 0.3963000       7.964000      0.4157000     -0.1958000      0.5743000
  1 1 1     -17   10   12 o    4.189000      0.4498000       4.598000 0.6148000       3.779000      0.6567000      0.8189000      0.8996000
  1 1 1     -17   10   13 o    2.126000      0.6419000       1.917000 0.8291000       2.335000      0.9801000     -0.4174000       1.284000
  1 1 1     -17   10   14 o    3.648000      0.5384000       2.965000 0.8556000       4.331000      0.6538000      -1.366000       1.077000
  1 1 1     -17   10   15 o    6.038000      0.3376000       5.850000 0.4457000       6.227000      0.5073000     -0.3770000      0.6753000
  1 1 1     -17   10   16 o    6.474000      0.4983000       6.585000 0.6249000       6.364000      0.7765000      0.2210000      0.9967000
  1 1 1     -17   10   17 o    8.184000      0.3010000       8.376000 0.3747000       7.992000      0.4712000      0.3842000      0.6020000
  1 1 1     -17   10   18 o    1.891000      0.5412000       2.266000 0.8075000       1.517000      0.7208000      0.7492000       1.082000
  1 1 1     -17   10   19 o    3.908000      0.5644000       3.137000 0.8305000       4.679000      0.7644000      -1.541000       1.129000
  1 1 1     -17   10   20 o    3.261000      0.6169000       3.583000 0.7722000       2.940000      0.9624000      0.6433000       1.234000
  1 1 1     -17   10   21 o    2.961000      0.6310000       2.760000 0.8346000       3.162000      0.9465000     -0.4021000       1.262000
  1 1 1     -17   10   22 o    5.018000      0.4808000       5.386000 0.5725000       4.649000      0.7726000      0.7370000      0.9616000
  1 1 1     -17   10   23 o    3.841000      0.6215000       3.647000 0.8130000       4.034000      0.9403000     -0.3863000       1.243000
  1 1 1     -17   10   24 o    2.728000      0.6475000       2.176000 0.8670000       3.280000      0.9620000      -1.104000       1.295000
  1 1 1     -17   10   25 o    1.882000      0.5868000       1.807000 0.8000000       1.957000      0.8587000     -0.1507000       1.174000
  1 1 1     -17   10   26 o    2.457000      0.6307000       2.879000 0.9161000       2.035000      0.8671000      0.8436000       1.261000
  1 1 1     -17   10   27 o    1.947000      0.5907000       2.058000 0.8565000       1.837000      0.8137000      0.2216000       1.181000
  1 1 1     -17   11    1 o    7.016000      0.2574000       7.218000 0.3404000       6.814000      0.3863000      0.4043000      0.5149000
  1 1 1     -17   11    2 o    3.491000      0.4237000       3.451000 0.5814000       3.531000      0.6165000     -0.8025000E-01  0.8474000
  1 1 1     -17   11    3 o    3.867000      0.4024000       3.844000 0.5685000       3.889000      0.5697000     -0.4414000E-01  0.8049000
  1 1 1     -17   11    4 o    11.00000      0.2437000       10.94000 0.3551000       11.05000      0.3338000     -0.1181000      0.4874000
  1 1 1     -17   11    5 o    4.720000      0.3594000       5.122000 0.4701000       4.317000      0.5438000      0.8054000      0.7188000
  1 1 1     -17   11    6 o    9.268000      0.2525000       9.289000 0.3634000       9.247000      0.3507000      0.4165000E-01  0.5050000
  1 1 1     -17   11    7 o    9.339000      0.2564000       9.053000 0.3687000       9.625000      0.3564000     -0.5722000      0.5128000
  1 1 1     -17   11    8 o    6.660000      0.3129000       7.228000 0.4168000       6.091000      0.4668000       1.137000      0.6258000
  1 1 1     -17   11    9 o    1.985000      0.5250000       1.477000 0.6684000       2.492000      0.8098000      -1.015000       1.050000
  1 1 1     -17   11   10 o    10.96000      0.2644000       10.93000 0.3720000       10.99000      0.3760000     -0.6169000E-01  0.5289000
  1 1 1     -17   11   11 o    4.646000      0.5281000       4.269000 0.7319000       5.024000      0.7616000     -0.7548000       1.056000
  1 1 1     -17   11   12 o    2.739000      0.6818000       2.446000 0.8676000       3.032000       1.052000     -0.5862000       1.364000
  1 1 1     -17   11   13 o    4.650000      0.4574000       4.878000 0.6036000       4.422000      0.6873000      0.4561000      0.9147000
  1 1 1     -17   11   14 o    5.774000      0.5552000       6.509000 0.9832000       5.040000      0.5159000       1.469000       1.110000
  1 1 1     -17   11   15 f    5.406000      0.7337000       4.389000 1.264000       6.423000      0.7450000      -2.034000       1.467000
  1 1 1     -17   11   16 o    4.362000      0.5084000       4.766000 0.6167000       3.958000      0.8085000      0.8084000       1.017000
  1 1 1     -17   11   17 f    6.164000      0.3711000       5.561000 0.5101000       6.767000      0.5392000      -1.205000      0.7423000
  1 1 1     -17   11   18 o    8.227000      0.3309000       8.176000 0.4240000       8.277000      0.5082000     -0.1011000      0.6618000
  1 1 1     -17   11   19 o    2.044000      0.5897000       1.556000 0.7172000       2.532000      0.9362000     -0.9759000       1.179000
  1 1 1     -17   11   20 o    5.513000      0.4407000       6.300000 0.4734000       4.726000      0.7436000       1.573000      0.8815000
  1 1 1     -17   11   21 o    5.869000      0.4282000       6.170000 0.5191000       5.568000      0.6812000      0.6013000      0.8564000
  1 1 1     -17   11   22 o    3.282000      0.5909000       4.289000 0.6989000       2.275000      0.9529000       2.014000       1.182000
  1 1 1     -17   11   23 o    5.513000      0.4532000       6.386000 0.5067000       4.639000      0.7517000       1.747000      0.9065000
  1 1 1     -17   11   24 o    2.570000      0.6525000       2.476000 0.8885000       2.664000      0.9558000     -0.1884000       1.305000
  1 1 1     -17   11   25 o    1.851000      0.5766000       1.582000 0.7389000       2.120000      0.8853000     -0.5377000       1.153000
  1 1 1     -17   11   26 o    2.278000      0.6474000       2.150000 0.8898000       2.405000      0.9408000     -0.2551000       1.295000
  1 1 1     -17   12    1 o    8.198000      0.2436000       8.105000 0.3365000       8.291000      0.3524000     -0.1858000      0.4872000
  1 1 1     -17   12    2 o    8.207000      0.2462000       8.436000 0.3469000       7.978000      0.3495000      0.4583000      0.4924000
  1 1 1     -17   12    3 o    9.603000      0.2449000       9.659000 0.3523000       9.547000      0.3401000      0.1117000      0.4897000
  1 1 1     -17   12    4 o    8.443000      0.2559000       8.231000 0.3677000       8.656000      0.3559000     -0.4245000      0.5118000
  1 1 1     -17   12    5 f    11.18000      0.2502000       11.48000 0.3566000       10.87000      0.3510000      0.6076000      0.5004000
  1 1 1     -17   12    6 o    9.546000      0.2578000       9.608000 0.3600000       9.484000      0.3690000      0.1235000      0.5155000
  1 1 1     -17   12    7 o    10.77000      0.2561000       10.53000 0.3684000       11.01000      0.3558000     -0.4789000      0.5122000
  1 1 1     -17   12    8 o    1.732000      0.5189000       1.404000 0.6477000       2.060000      0.8109000     -0.6561000       1.038000
  1 1 1     -17   12    9 o    2.168000      0.6093000       1.738000 0.7236000       2.598000      0.9806000     -0.8600000       1.219000
  1 1 1     -17   12   10 o    2.951000      0.6619000       2.957000 0.8511000       2.946000       1.014000      0.1127000E-01   1.324000
  1 1 1     -17   12   11 o    2.896000      0.5846000       3.173000 0.8057000       2.619000      0.8472000      0.5539000       1.169000
  1 1 1     -17   12   12 o    2.284000      0.5952000       2.569000 0.8439000       2.000000      0.8395000      0.5691000       1.190000
  1 1 1     -17   12   13 o    2.933000      0.7990000       3.346000 1.262000       2.521000      0.9809000      0.8254000       1.598000
  1 1 1     -17   12   14 o    6.847000      0.4393000       7.322000 0.4868000       6.371000      0.7313000      0.9504000      0.8785000
  1 1 1     -17   12   15 o    5.568000      0.4231000       6.009000 0.5552000       5.126000      0.6387000      0.8830000      0.8463000
  1 1 1     -17   12   16 o    7.052000      0.3641000       7.036000 0.5188000       7.069000      0.5109000     -0.3259000E-01  0.7281000
  1 1 1     -17   12   17 o    8.028000      0.3506000       7.868000 0.4827000       8.188000      0.5086000     -0.3195000      0.7012000
  1 1 1     -17   12   18 o    5.920000      0.4149000       5.981000 0.5600000       5.860000      0.6125000      0.1214000      0.8299000
  1 1 1     -17   12   19 o    2.440000      0.5975000       1.571000 0.7156000       3.308000      0.9570000      -1.737000       1.195000
  1 1 1     -17   12   20 o    5.805000      0.4347000       6.054000 0.5304000       5.557000      0.6889000      0.4966000      0.8694000
  1 1 1     -17   12   21 o    1.673000      0.5464000       1.659000 0.7533000       1.687000      0.7917000     -0.2807000E-01   1.093000
  1 1 1     -17   12   22 o    2.236000      0.6102000       1.705000 0.7481000       2.768000      0.9642000      -1.063000       1.220000
  1 1 1     -17   12   23 o    5.561000      0.4531000       5.881000 0.5423000       5.240000      0.7260000      0.6416000      0.9062000
  1 1 1     -17   12   24 o    2.704000      0.6704000       2.404000 0.9132000       3.005000      0.9817000     -0.6010000       1.341000
  1 1 1     -17   12   25 o    1.744000      0.5607000       1.547000 0.7246000       1.940000      0.8557000     -0.3927000       1.121000
  1 1 1     -17   13    1 o    2.822000      0.4628000       3.647000 0.5545000       1.997000      0.7411000       1.651000      0.9256000
  1 1 1     -17   13    2 o    8.431000      0.3578000       8.431000 0.3578000                  ?              ?              ?              ?
  1 1 1     -17   13    3 o    6.464000      0.2818000       6.671000 0.3941000       6.258000      0.4028000      0.4128000      0.5636000
  1 1 1     -17   13    4 o    8.873000      0.3500000                  ?       ?   8.873000      0.3500000                  ?              ?
  1 1 1     -17   13    5 o    4.095000      0.4433000       3.640000 0.6797000       4.550000      0.5693000     -0.9100000      0.8866000
  1 1 1     -17   13    6 o    9.214000      0.2605000       9.260000 0.3725000       9.168000      0.3643000      0.9236000E-01  0.5210000
  1 1 1     -17   13    7 o    6.830000      0.2887000       7.071000 0.4014000       6.589000      0.4151000      0.4825000      0.5774000
  1 1 1     -17   13    8 o    6.793000      0.3941000       6.388000 0.5181000       7.197000      0.5941000     -0.8086000      0.7883000
  1 1 1     -17   13    9 o    3.638000      0.5190000       3.669000 0.6955000       3.607000      0.7707000      0.6186000E-01   1.038000
  1 1 1     -17   13   10 o    2.702000      0.5913000       2.694000 0.8483000       2.711000      0.8241000     -0.1709000E-01   1.183000
  1 1 1     -17   13   11 o    2.799000      0.7811000       2.777000 1.157000       2.822000       1.050000     -0.4528000E-01   1.562000
  1 1 1     -17   13   13 o    3.121000      0.6057000       3.233000 0.8078000       3.009000      0.9026000      0.2242000       1.211000
  1 1 1     -17   13   14 o    3.395000      0.5842000       2.747000 0.8762000       4.043000      0.7731000      -1.296000       1.168000
  1 1 1     -17   13   15 o    4.940000      0.4637000       4.562000 0.6694000       5.318000      0.6419000     -0.7565000      0.9275000
  1 1 1     -17   13   16 o    3.371000      0.6391000       2.768000 0.9071000       3.974000      0.9004000      -1.205000       1.278000
  1 1 1     -17   13   17 o    4.889000      0.5110000       4.053000 0.8029000       5.725000      0.6324000      -1.672000       1.022000
  1 1 1     -17   13   18 o    7.521000      0.3609000       7.239000 0.5103000       7.802000      0.5104000     -0.5626000      0.7217000
  1 1 1     -17   13   19 o    4.503000      0.5491000       3.608000 0.8747000       5.398000      0.6640000      -1.790000       1.098000
  1 1 1     -17   13   20 o    3.617000      0.6368000       3.951000 0.8512000       3.282000      0.9473000      0.6693000       1.274000
  1 1 1     -17   13   21 o    4.282000      0.5296000       4.284000 0.6632000       4.279000      0.8259000      0.4770000E-02   1.059000
  1 1 1     -17   13   22 o    3.452000      0.6360000       3.167000 0.8518000       3.738000      0.9447000     -0.5705000       1.272000
  1 1 1     -17   13   23 o    1.830000      0.5726000       1.504000 0.7038000       2.156000      0.9033000     -0.6522000       1.145000
  1 1 1     -17   13   24 o    2.316000      0.6338000       1.780000 0.8027000       2.852000      0.9812000      -1.071000       1.268000
  1 1 1     -17   13   25 o    3.421000       1.138000                  ?       ?   3.421000       1.138000                  ?              ?
  1 1 1     -17   14    1 f    6.607000      0.2737000       6.394000 0.3789000       6.821000      0.3950000     -0.4266000      0.5474000
  1 1 1     -17   14    2 o    8.030000      0.3653000       8.030000 0.3653000                  ?              ?              ?              ?
  1 1 1     -17   14    3 o    3.181000      0.4904000       2.646000 0.7535000       3.716000      0.6280000      -1.070000      0.9809000
  1 1 1     -17   14    4 o    2.833000      0.4728000       1.800000 0.6933000       3.865000      0.6430000      -2.065000      0.9456000
  1 1 1     -17   14    5 o    4.097000      0.4241000       3.744000 0.6475000       4.450000      0.5479000     -0.7059000      0.8483000
  1 1 1     -17   14    6 o    8.609000      0.3328000       8.818000 0.4230000       8.399000      0.5139000      0.4191000      0.6657000
  1 1 1     -17   14    7 o    4.237000      0.4639000       4.916000 0.5679000       3.559000      0.7338000       1.358000      0.9279000
  1 1 1     -17   14    8 o    3.599000      0.5185000       4.139000 0.6239000       3.059000      0.8282000       1.080000       1.037000
  1 1 1     -17   14    9 o    4.976000      0.6865000       4.559000 1.292000       5.393000      0.4663000     -0.8340000       1.373000
  1 1 1     -17   14   10 o    4.534000      0.7570000       4.182000 1.266000       4.885000      0.8296000     -0.7029000       1.514000
  1 1 1     -17   14   11 o    7.248000      0.3188000       7.440000 0.4543000       7.055000      0.4475000      0.3848000      0.6376000
  1 1 1     -17   14   12 o    3.513000      0.5788000       3.175000 0.8235000       3.851000      0.8135000     -0.6761000       1.158000
  1 1 1     -17   14   13 o    2.764000      0.6231000       2.586000 0.8795000       2.943000      0.8828000     -0.3564000       1.246000
  1 1 1     -17   14   14 o    6.000000      0.3934000       6.247000 0.5076000       5.754000      0.6011000      0.4923000      0.7867000
  1 1 1     -17   14   15 o    2.840000      0.6344000       2.630000 0.8752000       3.050000      0.9188000     -0.4207000       1.269000
  1 1 1     -17   14   16 o    2.837000      0.6331000       2.321000 0.8732000       3.353000      0.9171000      -1.032000       1.266000
  1 1 1     -17   14   17 o    2.070000      0.6219000       1.954000 0.8390000       2.186000      0.9183000     -0.2325000       1.244000
  1 1 1     -17   14   18 o    6.065000      0.4036000       5.967000 0.5747000       6.163000      0.5669000     -0.1957000      0.8072000
  1 1 1     -17   14   19 o    5.213000      0.4745000       4.911000 0.6935000       5.515000      0.6479000     -0.6045000      0.9490000
  1 1 1     -17   14   20 o    4.589000      0.5502000       3.976000 0.8506000       5.201000      0.6980000      -1.225000       1.100000
  1 1 1     -17   14   21 o    3.188000      0.6321000       2.432000 0.9238000       3.943000      0.8631000      -1.511000       1.264000
  1 1 1     -17   14   22 o    2.233000      0.6312000       2.442000 0.9014000       2.024000      0.8840000      0.4185000       1.262000
  1 1 1     -17   14   23 o    4.696000      0.5242000       5.032000 0.6164000       4.361000      0.8480000      0.6713000       1.048000
  1 1 1     -17   15    1 o    6.689000      0.2867000       7.112000 0.3724000       6.265000      0.4361000      0.8470000      0.5735000
  1 1 1     -17   15    2 o    5.372000      0.3381000       5.450000 0.4656000       5.294000      0.4904000      0.1560000      0.6762000
  1 1 1     -17   15    3 o    2.069000      0.5311000       2.263000 0.7820000       1.875000      0.7189000      0.3880000       1.062000
  1 1 1     -17   15    4 o    5.530000      0.4136000       5.426000 0.5421000       5.635000      0.6249000     -0.2092000      0.8273000
  1 1 1     -17   15    5 o    2.496000      0.5560000       2.072000 0.7733000       2.919000      0.7991000     -0.8468000       1.112000
  1 1 1     -17   15    6 o    5.490000      0.3479000       5.794000 0.4515000       5.185000      0.5294000      0.6092000      0.6957000
  1 1 1     -17   15    7 o    3.226000      0.7372000       4.182000 1.240000       2.270000      0.7980000       1.912000       1.474000
  1 1 1     -17   15    8 f    3.839000      0.8129000       4.290000 1.245000       3.388000       1.045000      0.9027000       1.626000
  1 1 1     -17   15    9 o    7.639000      0.3122000       8.002000 0.4207000       7.276000      0.4614000      0.7252000      0.6244000
  1 1 1     -17   15   10 o    5.597000      0.3912000       5.996000 0.4899000       5.197000      0.6100000      0.7991000      0.7824000
  1 1 1     -17   15   11 o    3.250000      0.5925000       3.490000 0.8190000       3.010000      0.8565000      0.4797000       1.185000
  1 1 1     -17   15   12 o    3.444000      0.6053000       3.362000 0.8232000       3.526000      0.8876000     -0.1633000       1.211000
  1 1 1     -17   15   13 o    5.874000      0.3959000       6.771000 0.4909000       4.977000      0.6212000       1.794000      0.7918000
  1 1 1     -17   15   14 o    2.188000      0.5785000       2.789000 0.8920000       1.588000      0.7369000       1.202000       1.157000
  1 1 1     -17   15   15 o    2.631000      0.6488000       2.448000 0.8821000       2.813000      0.9515000     -0.3653000       1.298000
  1 1 1     -17   15   16 o    2.285000      0.6105000       2.683000 0.8920000       1.888000      0.8337000      0.7949000       1.221000
  1 1 1     -17   15   17 o    6.240000      0.4036000       5.793000 0.5827000       6.687000      0.5585000     -0.8933000      0.8071000
  1 1 1     -17   15   18 o    3.913000      0.5730000       3.244000 0.8848000       4.582000      0.7284000      -1.337000       1.146000
  1 1 1     -17   15   19 o    2.809000      0.6346000       2.065000 0.8678000       3.554000      0.9261000      -1.488000       1.269000
  1 1 1     -17   15   20 o    6.211000      0.4779000       6.997000 0.6503000       5.425000      0.7005000       1.572000      0.9558000
  1 1 1     -17   15   21 o    2.195000      0.6346000       2.340000 0.9197000       2.051000      0.8745000      0.2889000       1.269000
  1 1 1     -17   15   22 o    2.472000      0.5929000       1.564000 0.7400000       3.381000      0.9267000      -1.818000       1.186000
  1 1 1     -17   16    1 o    2.368000      0.5922000       1.580000 0.7053000       3.157000      0.9515000      -1.577000       1.184000
  1 1 1     -17   16    2 o    6.066000      0.4007000       6.111000 0.4790000       6.021000      0.6426000      0.8930000E-01  0.8015000
  1 1 1     -17   16    3 o    6.109000      0.3241000       6.260000 0.4500000       5.958000      0.4664000      0.3021000      0.6481000
  1 1 1     -17   16    4 o    3.812000      0.4832000       3.996000 0.6434000       3.627000      0.7212000      0.3694000      0.9664000
  1 1 1     -17   16    5 o    3.591000      0.7814000       4.578000 1.211000       2.604000      0.9876000       1.973000       1.563000
  1 1 1     -17   16    6 o    5.124000      0.7226000       4.483000 1.223000       5.764000      0.7699000      -1.281000       1.445000
  1 1 1     -17   16    7 f    2.470000      0.5989000       2.197000 0.8277000       2.744000      0.8658000     -0.5464000       1.198000
  1 1 1     -17   16    8 o    6.682000      0.3361000       6.455000 0.4868000       6.908000      0.4636000     -0.4530000      0.6722000
  1 1 1     -17   16    9 o    2.672000      0.6108000       2.385000 0.8578000       2.958000      0.8698000     -0.5729000       1.222000
  1 1 1     -17   16   10 o    3.158000      0.6099000       3.551000 0.8115000       2.765000      0.9107000      0.7852000       1.220000
  1 1 1     -17   16   11 o    3.421000      0.6073000       3.642000 0.8483000       3.200000      0.8693000      0.4420000       1.215000
  1 1 1     -17   16   12 o    2.838000      0.6159000       3.402000 0.8463000       2.273000      0.8952000       1.129000       1.232000
  1 1 1     -17   16   13 o    4.566000      0.5182000       3.763000 0.8447000       5.369000      0.6004000      -1.606000       1.036000
  1 1 1     -17   16   14 o    3.591000      0.5974000       3.684000 0.8275000       3.498000      0.8619000      0.1863000       1.195000
  1 1 1     -17   16   15 o    2.005000      0.6019000       1.916000 0.8115000       2.093000      0.8892000     -0.1767000       1.204000
  1 1 1     -17   16   16 o    3.010000      0.6353000       2.499000 0.8980000       3.521000      0.8989000      -1.021000       1.271000
  1 1 1     -17   16   17 o    5.550000      0.4376000       5.126000 0.6450000       5.975000      0.5915000     -0.8492000      0.8752000
  1 1 1     -17   16   18 o    3.255000      0.6348000       3.887000 0.8149000       2.624000      0.9736000       1.263000       1.270000
  1 1 1     -17   16   19 o    2.631000      0.6666000       2.547000 0.9159000       2.715000      0.9688000     -0.1677000       1.333000
  1 1 1     -17   16   20 o    2.246000      0.6437000       2.011000 0.8570000       2.482000      0.9608000     -0.4714000       1.287000
  1 1 1     -17   16   21 o    2.082000      0.6303000       1.871000 0.8375000       2.293000      0.9423000     -0.4217000       1.261000
  1 1 1     -17   17    1 o    3.697000      0.5377000       3.757000 0.7660000       3.637000      0.7547000      0.1194000       1.075000
  1 1 1     -17   17    2 o    3.633000      0.5367000       3.833000 0.7356000       3.432000      0.7818000      0.4010000       1.073000
  1 1 1     -17   17    3 o    2.604000       1.143000       2.604000 1.143000                  ?              ?              ?              ?
  1 1 1     -17   17    4 o    5.729000      0.6677000       5.320000 1.129000       6.139000      0.7131000     -0.8189000       1.335000
  1 1 1     -17   17    5 o    5.754000      0.5135000                  ?       ?   5.754000      0.5135000                  ?              ?
  1 1 1     -17   17    6 o    4.073000      0.5405000       5.111000 0.5929000       3.036000      0.9038000       2.075000       1.081000
  1 1 1     -17   17    7 o    3.435000      0.5755000       3.832000 0.7917000       3.039000      0.8356000      0.7935000       1.151000
  1 1 1     -17   17    8 f    4.183000      0.5278000       4.674000 0.6395000       3.691000      0.8398000      0.9833000       1.056000
  1 1 1     -17   17    9 o    4.566000      0.5054000       5.187000 0.6119000       3.946000      0.8046000       1.241000       1.011000
  1 1 1     -17   17   10 o    2.943000      0.6515000       2.868000 0.9196000       3.018000      0.9230000     -0.1504000       1.303000
  1 1 1     -17   17   11 o    2.552000      0.6254000       2.028000 0.8520000       3.076000      0.9157000      -1.048000       1.251000
  1 1 1     -17   17   12 o    3.622000      0.6200000       3.613000 0.8371000       3.631000      0.9148000     -0.1761000E-01   1.240000
  1 1 1     -17   17   13 o    7.224000      0.3543000       7.532000 0.4863000       6.916000      0.5154000      0.6161000      0.7086000
  1 1 1     -17   17   14 o    3.779000      0.6223000       4.178000 0.8506000       3.380000      0.9085000      0.7982000       1.245000
  1 1 1     -17   17   15 o    2.656000      0.6682000       2.268000 0.9147000       3.044000      0.9743000     -0.7756000       1.336000
  1 1 1     -17   17   16 o    3.513000      0.6468000       3.510000 0.9138000       3.515000      0.9155000     -0.5057000E-02   1.294000
  1 1 1     -17   17   17 o    3.186000      0.6811000       3.503000 0.9444000       2.870000      0.9817000      0.6331000       1.362000
  1 1 1     -17   17   18 o    2.469000      0.6744000       2.608000 0.9621000       2.329000      0.9454000      0.2790000       1.349000
  1 1 1     -17   17   19 o    2.903000      0.6768000       3.228000 0.9486000       2.578000      0.9656000      0.6501000       1.354000
  1 1 1     -17   18    1 o    6.200000      0.6312000       5.795000 1.087000       6.606000      0.6412000     -0.8112000       1.262000
  1 1 1     -17   18    2 o    2.759000      0.6743000       2.303000 0.8594000       3.214000       1.039000     -0.9112000       1.349000
  1 1 1     -17   18    3 o    3.770000      0.5682000       4.309000 0.7465000       3.231000      0.8568000       1.077000       1.136000
  1 1 1     -17   18    4 f    7.281000      0.3274000       7.213000 0.4880000       7.348000      0.4366000     -0.1349000      0.6548000
  1 1 1     -17   18    5 o    2.964000      0.5897000       2.269000 0.8677000       3.659000      0.7989000      -1.390000       1.179000
  1 1 1     -17   18    6 o    5.827000      0.3801000       5.769000 0.5641000       5.886000      0.5097000     -0.1171000      0.7603000
  1 1 1     -17   18    7 o    3.876000      0.5683000       3.624000 0.8798000       4.127000      0.7196000     -0.5034000       1.137000
  1 1 1     -17   18    8 o    4.296000      0.5175000       4.308000 0.7265000       4.284000      0.7373000      0.2376000E-01   1.035000
  1 1 1     -17   18    9 f    5.601000      0.4184000       5.647000 0.6065000       5.556000      0.5766000      0.9111000E-01  0.8368000
  1 1 1     -17   18   10 o    1.712000      0.5504000       1.823000 0.8024000       1.600000      0.7536000      0.2231000       1.101000
  1 1 1     -17   18   11 o    3.215000      0.6293000       3.731000 0.8425000       2.699000      0.9350000       1.031000       1.259000
  1 1 1     -17   18   12 o    2.965000      0.5710000       1.716000 0.7791000       4.215000      0.8351000      -2.500000       1.142000
  1 1 1     -17   18   13 f    3.074000      0.6405000       3.783000 0.8953000       2.365000      0.9160000       1.419000       1.281000
  1 1 1     -17   18   14 o    2.879000      0.6912000       2.783000 0.9695000       2.976000      0.9855000     -0.1924000       1.382000
  1 1 1     -17   18   15 o    3.203000      0.6809000       3.055000 0.9676000       3.352000      0.9583000     -0.2974000       1.362000
  1 1 1     -17   18   16 o    4.179000      0.5940000       5.271000 0.6728000       3.087000      0.9792000       2.184000       1.188000
  1 1 1     -17   18   17 o    3.222000      0.6808000       3.180000 0.9440000       3.264000      0.9813000     -0.8380000E-01   1.362000
  1 1 1     -17   18   18 o    2.504000      0.7210000       3.238000 1.219000       1.771000      0.7709000       1.467000       1.442000
  1 1 1     -17   19    1 o    4.989000      0.4633000       4.895000 0.6865000       5.083000      0.6225000     -0.1888000      0.9267000
  1 1 1     -17   19    2 o    6.288000      0.3816000       6.529000 0.5475000       6.048000      0.5316000      0.4812000      0.7631000
  1 1 1     -17   19    3 o    2.340000      0.6356000       2.272000 0.8881000       2.408000      0.9095000     -0.1358000       1.271000
  1 1 1     -17   19    4 o    2.599000      0.6485000       2.648000 0.9361000       2.551000      0.8977000      0.9643000E-01   1.297000
  1 1 1     -17   19    5 o    7.591000      0.3355000       7.052000 0.5083000       8.131000      0.4381000      -1.079000      0.6710000
  1 1 1     -17   19    6 o    5.184000      0.4363000       5.660000 0.5901000       4.708000      0.6427000      0.9524000      0.8725000
  1 1 1     -17   19    7 o    3.664000      0.5976000       4.276000 0.7623000       3.052000      0.9205000       1.223000       1.195000
  1 1 1     -17   19    8 o    3.007000      0.6539000       3.176000 0.9343000       2.837000      0.9152000      0.3393000       1.308000
  1 1 1     -17   19    9 o    1.870000      0.5853000       1.699000 0.7827000       2.042000      0.8705000     -0.3435000       1.171000
  1 1 1     -17   19   10 o    5.841000      0.4196000       5.789000 0.5985000       5.894000      0.5884000     -0.1058000      0.8393000
  1 1 1     -17   19   11 o    4.531000      0.5591000       4.641000 0.7611000       4.420000      0.8193000      0.2207000       1.118000
  1 1 1     -17   19   12 o    2.173000      0.6314000       2.077000 0.8737000       2.269000      0.9119000     -0.1919000       1.263000
  1 1 1     -17   19   13 o    2.102000      0.6109000       1.680000 0.7805000       2.524000      0.9401000     -0.8438000       1.222000
  1 1 1     -17   19   14 o    2.857000      0.6129000       3.795000 0.8696000       1.919000      0.8638000       1.876000       1.226000
  1 1 1     -17   19   15 o    4.286000      0.5852000       4.076000 0.8237000       4.495000      0.8313000     -0.4187000       1.170000
  1 1 1     -17   19   16 o    2.527000      0.6951000       2.608000 0.8802000       2.446000       1.076000      0.1614000       1.390000
  1 1 1     -17   20    1 o    4.771000      0.5114000       5.182000 0.7268000       4.359000      0.7197000      0.8234000       1.023000
  1 1 1     -17   20    2 o    4.522000      0.5525000       3.926000 0.8808000       5.117000      0.6672000      -1.191000       1.105000
  1 1 1     -17   20    3 f    2.118000      0.6249000       2.252000 0.9167000       1.984000      0.8495000      0.2678000       1.250000
  1 1 1     -17   20    4 o    3.731000      0.6102000       4.260000 0.8755000       3.203000      0.8501000       1.057000       1.220000
  1 1 1     -17   20    5 o    4.341000      0.5733000       3.925000 0.9095000       4.758000      0.6984000     -0.8335000       1.147000
  1 1 1     -17   20    6 o    2.172000      0.6126000       2.176000 0.8455000       2.169000      0.8867000      0.6501000E-02   1.225000
  1 1 1     -17   20    7 o    2.079000      0.6221000       2.220000 0.9187000       1.938000      0.8389000      0.2824000       1.244000
  1 1 1     -17   20    8 o    3.038000      0.6549000       3.499000 0.9134000       2.578000      0.9388000      0.9211000       1.310000
  1 1 1     -17   20    9 o    2.180000      0.6265000       2.468000 0.9310000       1.892000      0.8387000      0.5765000       1.253000
  1 1 1     -17   20   10 o    4.655000      0.5513000       3.494000 0.9339000       5.816000      0.5860000      -2.322000       1.103000
  1 1 1     -17   20   11 o    2.027000      0.6194000       2.157000 0.9061000       1.897000      0.8448000      0.2593000       1.239000
  1 1 1     -17   20   12 o    2.664000      0.6756000       2.284000 0.9286000       3.044000      0.9815000     -0.7596000       1.351000
  1 1 1     -17   20   13 f    2.445000      0.6660000       2.862000 0.9843000       2.028000      0.8973000      0.8343000       1.332000
  1 1 1     -17   21    1 o    2.937000      0.6870000       2.588000 1.011000       3.285000      0.9308000     -0.6969000       1.374000
  1 1 1     -17   21    2 o    2.848000      0.6674000       3.602000 0.9927000       2.094000      0.8924000       1.509000       1.335000
  1 1 1     -17   21    3 o    3.681000      0.6492000       2.846000 1.041000       4.516000      0.7756000      -1.670000       1.298000
  1 1 1     -17   21    4 o    2.169000      0.9373000       2.169000 0.9373000                  ?              ?              ?              ?
  1 1 1     -17   21    5 o    3.671000      0.6167000       2.708000 1.005000       4.635000      0.7147000      -1.926000       1.233000
  1 1 1     -17   21    6 f    1.643000      0.7746000                  ?       ?   1.643000      0.7746000                  ?              ?
  1 1 1     -17   21    7 o    2.432000      0.6826000       2.615000 1.014000       2.250000      0.9144000      0.3650000       1.365000
  1 1 1     -17   21    8 o    1.974000      0.6173000       1.926000 0.8726000       2.023000      0.8733000     -0.9640000E-01   1.235000
  1 1 1     -17   21    9 o    2.863000      0.6291000       3.861000 0.9310000       1.864000      0.8463000       1.996000       1.258000
  1 1 1     -17   21   10 o    2.059000      0.6212000       1.695000 0.7962000       2.424000      0.9538000     -0.7294000       1.242000
  1 1 1     -17   22    1 o    3.021000      0.6882000       2.627000 0.9917000       3.416000      0.9543000     -0.7881000       1.376000
  1 1 1     -17   22    2 o    2.473000      0.6888000       2.626000 1.017000       2.319000      0.9296000      0.3072000       1.378000
  1 1 1     -17   22    3 o    5.277000      0.5810000       3.852000 1.008000       6.702000      0.5772000      -2.850000       1.162000
  1 1 1     -17   22    4 o    2.354000      0.6607000       2.371000 0.9641000       2.338000      0.9036000      0.3270000E-01   1.321000
  1 1 1     -17   22    5 o    4.999000      0.5541000       4.856000 0.8056000       5.142000      0.7609000     -0.2857000       1.108000
  1 1 1     -16  -37    1 o    2.835000      0.6862000       3.853000 1.069000       1.818000      0.8604000       2.035000       1.372000
  1 1 1     -16  -37    2 o    2.895000      0.7340000       3.130000 1.031000       2.660000       1.045000      0.4702000       1.468000
  1 1 1     -16  -37    3 o    2.816000      0.7199000       3.164000 1.017000       2.468000       1.019000      0.6968000       1.440000
  1 1 1     -16  -37    4 o    3.553000      0.8967000       4.248000 1.488000       2.857000       1.001000       1.391000       1.793000
  1 1 1     -16  -37    5 o    3.022000       1.302000       3.022000 1.302000                  ?              ?              ?              ?
  1 1 1     -16  -36    1 o    2.627000      0.7068000       2.260000 0.9494000       2.994000       1.047000     -0.7335000       1.414000
  1 1 1     -16  -36    2 o    2.389000      0.6655000       2.859000 1.002000       1.918000      0.8757000      0.9416000       1.331000
  1 1 1     -16  -36    3 o    3.093000      0.7033000       3.928000 1.021000       2.259000      0.9678000       1.668000       1.407000
  1 1 1     -16  -36    4 o    2.905000      0.7150000       2.168000 0.9394000       3.642000       1.078000      -1.474000       1.430000
  1 1 1     -16  -36    5 o    2.923000      0.6379000       1.676000 0.8020000       4.170000      0.9922000      -2.493000       1.276000
  1 1 1     -16  -36    6 o    2.592000      0.7024000       2.619000 0.9825000       2.565000       1.004000      0.5385000E-01   1.405000
  1 1 1     -16  -36    7 o    1.958000      0.6331000       1.824000 0.8537000       2.093000      0.9353000     -0.2691000       1.266000
  1 1 1     -16  -36    8 o    2.643000      0.7264000       2.356000 0.9800000       2.931000       1.072000     -0.5757000       1.453000
  1 1 1     -16  -36    9 o    2.984000      0.7048000       3.557000 0.9901000       2.411000       1.003000       1.146000       1.410000
  1 1 1     -16  -35    1 o    2.279000      0.6439000       2.811000 0.9970000       1.747000      0.8152000       1.064000       1.288000
  1 1 1     -16  -35    2 o    1.812000      0.5891000       1.603000 0.7710000       2.020000      0.8908000     -0.4171000       1.178000
  1 1 1     -16  -35    3 o    2.827000      0.6947000       2.172000 0.9433000       3.482000       1.020000      -1.310000       1.389000
  1 1 1     -16  -35    4 o    2.537000      0.7063000       2.339000 0.9593000       2.736000       1.037000     -0.3964000       1.413000
  1 1 1     -16  -35    5 o    2.515000      0.6431000       1.613000 0.7727000       3.417000       1.028000      -1.803000       1.286000
  1 1 1     -16  -35    6 o    2.478000      0.6838000       2.107000 0.9024000       2.850000       1.028000     -0.7434000       1.368000
  1 1 1     -16  -35    7 o    3.972000      0.6310000       2.886000 0.9996000       5.058000      0.7705000      -2.172000       1.262000
  1 1 1     -16  -35    8 o    3.752000      0.7294000       3.741000 1.028000       3.763000       1.035000     -0.2262000E-01   1.459000
  1 1 1     -16  -35    9 o    2.945000      0.7294000       2.553000 0.9882000       3.337000       1.073000     -0.7836000       1.459000
  1 1 1     -16  -35   10 o    3.739000      0.6219000       5.056000 0.7652000       2.422000      0.9806000       2.634000       1.244000
  1 1 1     -16  -35   11 o    3.144000      0.7406000       3.537000 1.039000       2.750000       1.056000      0.7864000       1.481000
  1 1 1     -16  -35   12 o    3.686000      0.7065000       4.211000 0.9342000       3.161000       1.060000       1.050000       1.413000
  1 1 1     -16  -35   13 o    4.477000       1.381000       4.477000 1.381000                  ?              ?              ?              ?
  1 1 1     -16  -34    1 o    4.483000      0.5340000       4.143000 0.8260000       4.823000      0.6771000     -0.6803000       1.068000
  1 1 1     -16  -34    2 o    3.156000      0.5987000       2.087000 0.8857000       4.225000      0.8059000      -2.138000       1.197000
  1 1 1     -16  -34    3 o    2.880000      0.6830000       2.931000 0.9604000       2.829000      0.9714000      0.1016000       1.366000
  1 1 1     -16  -34    4 o    5.114000      0.5313000       6.019000 0.6042000       4.209000      0.8740000       1.810000       1.063000
  1 1 1     -16  -34    5 o    2.159000      0.6363000       2.378000 0.9350000       1.940000      0.8634000      0.4378000       1.273000
  1 1 1     -16  -34    6 o    2.193000      0.6341000       2.633000 0.9692000       1.753000      0.8177000      0.8804000       1.268000
  1 1 1     -16  -34    7 o    3.925000      0.6423000       3.988000 0.8813000       3.862000      0.9344000      0.1262000       1.285000
  1 1 1     -16  -34    8 o    3.754000      0.6561000       4.762000 0.8288000       2.746000       1.017000       2.016000       1.312000
  1 1 1     -16  -34    9 o    6.123000      0.4918000       6.709000 0.6088000       5.537000      0.7726000       1.171000      0.9837000
  1 1 1     -16  -34   10 o    4.022000      0.6533000       4.900000 0.7519000       3.144000       1.069000       1.756000       1.307000
  1 1 1     -16  -34   11 o    3.315000      0.7301000       3.166000 1.032000       3.465000       1.033000     -0.2989000       1.460000
  1 1 1     -16  -34   12 o    4.979000      0.5797000       5.443000 0.7322000       4.515000      0.8990000      0.9277000       1.159000
  1 1 1     -16  -34   13 o    2.707000      0.7022000       2.952000 0.9940000       2.462000      0.9921000      0.4902000       1.404000
  1 1 1     -16  -34   14 o    2.156000      0.6728000       2.053000 0.9195000       2.259000      0.9823000     -0.2058000       1.346000
  1 1 1     -16  -34   15 o    2.721000      0.7432000       2.812000 1.068000       2.629000       1.034000      0.1835000       1.486000
  1 1 1     -16  -33    1 o    4.560000      0.4573000       4.907000 0.6455000       4.214000      0.6480000      0.6933000      0.9146000
  1 1 1     -16  -33    2 o    2.362000      0.6190000       2.516000 0.9043000       2.208000      0.8454000      0.3078000       1.238000
  1 1 1     -16  -33    3 o    2.431000      0.6381000       2.544000 0.9195000       2.318000      0.8849000      0.2263000       1.276000
  1 1 1     -16  -33    4 o    2.872000      0.6450000       2.877000 0.8986000       2.866000      0.9255000      0.1081000E-01   1.290000
  1 1 1     -16  -33    5 o    6.125000      0.3888000       6.484000 0.5159000       5.767000      0.5819000      0.7166000      0.7776000
  1 1 1     -16  -33    6 o    2.678000      0.6434000       2.992000 0.8955000       2.364000      0.9240000      0.6276000       1.287000
  1 1 1     -16  -33    7 o    2.588000      0.6599000       2.778000 0.9427000       2.397000      0.9238000      0.3801000       1.320000
  1 1 1     -16  -33    8 o    5.196000      0.4517000       5.023000 0.6303000       5.369000      0.6471000     -0.3458000      0.9033000
  1 1 1     -16  -33    9 o    3.353000      0.6235000       2.477000 0.9564000       4.228000      0.8002000      -1.751000       1.247000
  1 1 1     -16  -33   10 o    4.776000      0.7713000       3.972000 1.379000       5.579000      0.6921000      -1.608000       1.543000
  1 1 1     -16  -33   11 o    5.940000      0.4666000       5.845000 0.6168000       6.035000      0.7002000     -0.1902000      0.9332000
  1 1 1     -16  -33   12 o    4.982000      0.5793000       5.744000 0.7143000       4.219000      0.9121000       1.525000       1.159000
  1 1 1     -16  -33   13 o    2.493000      0.6824000       2.065000 0.8996000       2.921000       1.026000     -0.8555000       1.365000
  1 1 1     -16  -33   14 o    3.134000      0.6997000       3.245000 0.9719000       3.023000       1.007000      0.2221000       1.399000
  1 1 1     -16  -33   15 o    2.039000      0.6423000       2.029000 0.9072000       2.049000      0.9095000     -0.2053000E-01   1.285000
  1 1 1     -16  -33   16 o    3.051000      0.7035000       3.757000 1.012000       2.344000      0.9775000       1.413000       1.407000
  1 1 1     -16  -33   17 o    2.457000      0.6980000       2.177000 0.9251000       2.737000       1.046000     -0.5599000       1.396000
  1 1 1     -16  -32    1 o    6.937000      0.3102000       6.508000 0.4794000       7.366000      0.3938000     -0.8585000      0.6204000
  1 1 1     -16  -32    2 o    4.425000      0.4355000       4.325000 0.6420000       4.525000      0.5887000     -0.2002000      0.8710000
  1 1 1     -16  -32    3 o    4.992000      0.3911000       5.155000 0.5268000       4.829000      0.5783000      0.3259000      0.7823000
  1 1 1     -16  -32    4 o    6.443000      0.3333000       6.822000 0.4425000       6.063000      0.4987000      0.7594000      0.6667000
  1 1 1     -16  -32    5 o    3.891000      0.5116000       4.065000 0.6647000       3.717000      0.7779000      0.3480000       1.023000
  1 1 1     -16  -32    6 o    2.245000      0.5975000       2.700000 0.8937000       1.790000      0.7934000      0.9097000       1.195000
  1 1 1     -16  -32    7 o    2.992000      0.6459000       3.367000 0.8958000       2.617000      0.9309000      0.7499000       1.292000
  1 1 1     -16  -32    8 o    2.465000      0.6441000       2.284000 0.8913000       2.646000      0.9299000     -0.3613000       1.288000
  1 1 1     -16  -32    9 o    3.183000      0.6455000       3.317000 0.8777000       3.049000      0.9468000      0.2676000       1.291000
  1 1 1     -16  -32   10 o    5.910000      0.4027000       6.404000 0.5129000       5.415000      0.6210000      0.9888000      0.8054000
  1 1 1     -16  -32   11 o    4.267000      0.5732000       4.274000 0.8089000       4.259000      0.8122000      0.1462000E-01   1.146000
  1 1 1     -16  -32   12 o    4.884000      0.5295000       5.382000 0.6547000       4.386000      0.8325000      0.9968000       1.059000
  1 1 1     -16  -32   13 o    2.073000      0.6272000       2.219000 0.9119000       1.927000      0.8613000      0.2915000       1.254000
  1 1 1     -16  -32   14 o    1.968000      0.6190000       2.357000 0.9787000       1.579000      0.7582000      0.7786000       1.238000
  1 1 1     -16  -32   15 o    4.131000      0.6387000       4.291000 0.8550000       3.970000      0.9492000      0.3215000       1.277000
  1 1 1     -16  -32   16 o    4.038000      0.6996000       4.189000 0.9868000       3.888000      0.9919000      0.3007000       1.399000
  1 1 1     -16  -32   17 o    1.995000      0.6359000       1.911000 0.8683000       2.078000      0.9294000     -0.1677000       1.272000
  1 1 1     -16  -32   18 o    2.281000      0.6854000       2.151000 0.9202000       2.412000       1.016000     -0.2614000       1.371000
  1 1 1     -16  -32   19 o    2.207000      0.6838000       2.423000 1.009000       1.991000      0.9234000      0.4320000       1.368000
  1 1 1     -16  -31    1 o    8.767000      0.2681000       9.065000 0.3776000       8.470000      0.3806000      0.5955000      0.5361000
  1 1 1     -16  -31    2 o    3.332000      0.5239000       3.806000 0.6322000       2.859000      0.8356000      0.9466000       1.048000
  1 1 1     -16  -31    3 o    4.126000      0.4304000       4.288000 0.5413000       3.963000      0.6692000      0.3251000      0.8607000
  1 1 1     -16  -31    4 o    4.443000      0.4306000       4.493000 0.5774000       4.392000      0.6391000      0.1013000      0.8613000
  1 1 1     -16  -31    5 o    1.986000      0.5690000       1.930000 0.7801000       2.043000      0.8286000     -0.1128000       1.138000
  1 1 1     -16  -31    6 o    6.840000      0.3188000       6.694000 0.4420000       6.986000      0.4596000     -0.2920000      0.6376000
  1 1 1     -16  -31    7 o    6.514000      0.3151000       6.054000 0.4378000       6.974000      0.4533000     -0.9196000      0.6302000
  1 1 1     -16  -31    8 o    4.684000      0.7096000       3.457000 1.329000       5.911000      0.4968000      -2.454000       1.419000
  1 1 1     -16  -31    9 o    6.045000      0.3647000       6.799000 0.4451000       5.291000      0.5778000       1.509000      0.7294000
  1 1 1     -16  -31   10 f    3.315000      0.5825000       4.228000 0.7196000       2.403000      0.9161000       1.825000       1.165000
  1 1 1     -16  -31   11 o    4.073000      0.5617000       3.394000 0.8595000       4.751000      0.7233000      -1.357000       1.123000
  1 1 1     -16  -31   12 o    3.508000      0.6256000       3.072000 0.8846000       3.945000      0.8849000     -0.8734000       1.251000
  1 1 1     -16  -31   13 o    3.040000      0.6823000       3.330000 0.9320000       2.750000      0.9966000      0.5805000       1.365000
  1 1 1     -16  -31   14 o    2.421000      0.6415000       2.808000 0.9227000       2.034000      0.8916000      0.7745000       1.283000
  1 1 1     -16  -31   15 o    3.144000      0.7038000       3.359000 0.9693000       2.929000       1.021000      0.4305000       1.408000
  1 1 1     -16  -31   16 o    2.630000      0.6969000       2.257000 0.9259000       3.003000       1.042000     -0.7455000       1.394000
  1 1 1     -16  -31   17 o    2.357000      0.6886000       1.985000 0.8904000       2.730000       1.051000     -0.7450000       1.377000
  1 1 1     -16  -31   18 o    3.774000      0.6115000       5.225000 0.7022000       2.323000       1.001000       2.902000       1.223000
  1 1 1     -16  -31   19 o    4.208000      0.7025000       4.416000 0.8669000       3.999000       1.106000      0.4170000       1.405000
  1 1 1     -16  -31   20 o    3.206000      0.7246000       4.022000 0.9948000       2.390000       1.054000       1.633000       1.449000
  1 1 1     -16  -30    1 o    2.301000      0.6076000       1.695000 0.7371000       2.907000      0.9660000      -1.212000       1.215000
  1 1 1     -16  -30    2 o    2.680000      0.6137000       2.987000 0.7769000       2.373000      0.9503000      0.6137000       1.227000
  1 1 1     -16  -30    3 o    1.902000      0.5866000       1.696000 0.7435000       2.107000      0.9075000     -0.4118000       1.173000
  1 1 1     -16  -30    4 o    3.337000      0.6054000       3.830000 0.7306000       2.844000      0.9656000      0.9858000       1.211000
  1 1 1     -16  -30    5 o    4.103000      0.4564000       4.186000 0.6080000       4.021000      0.6809000      0.1654000      0.9128000
  1 1 1     -16  -30    6 o    6.634000      0.3004000       6.385000 0.4095000       6.882000      0.4396000     -0.4967000      0.6008000
  1 1 1     -16  -30    7 o    7.174000      0.2986000       7.529000 0.4008000       6.820000      0.4428000      0.7093000      0.5973000
  1 1 1     -16  -30    8 o    2.834000      0.5693000       3.313000 0.7517000       2.355000      0.8552000      0.9576000       1.139000
  1 1 1     -16  -30    9 f    2.272000      0.5874000       2.453000 0.8209000       2.091000      0.8405000      0.3620000       1.175000
  1 1 1     -16  -30   10 o    4.174000      0.5148000       4.299000 0.6902000       4.049000      0.7641000      0.2502000       1.030000
  1 1 1     -16  -30   11 o    2.240000      0.6116000       2.295000 0.8443000       2.186000      0.8850000      0.1094000       1.223000
  1 1 1     -16  -30   12 o    2.039000      0.5832000       1.450000 0.6941000       2.627000      0.9375000      -1.178000       1.166000
  1 1 1     -16  -30   13 o    2.477000      0.6584000       2.629000 0.9284000       2.324000      0.9337000      0.3053000       1.317000
  1 1 1     -16  -30   14 o    3.892000      0.5964000       3.784000 0.7666000       3.999000      0.9139000     -0.2149000       1.193000
  1 1 1     -16  -30   15 o    7.231000      0.3954000       7.639000 0.4982000       6.824000      0.6140000      0.8151000      0.7907000
  1 1 1     -16  -30   16 o    7.562000      0.3693000       7.318000 0.5014000       7.805000      0.5423000     -0.4870000      0.7386000
  1 1 1     -16  -30   17 o    3.871000      0.6935000       4.178000 0.9131000       3.564000       1.044000      0.6147000       1.387000
  1 1 1     -16  -30   18 o    3.592000      0.6826000       3.959000 0.8751000       3.225000       1.048000      0.7348000       1.365000
  1 1 1     -16  -30   19 o    2.794000      0.6823000       3.445000 0.9749000       2.143000      0.9550000       1.301000       1.365000
  1 1 1     -16  -30   20 o    1.954000      0.6305000       1.908000 0.8665000       2.000000      0.9162000     -0.9140000E-01   1.261000
  1 1 1     -16  -30   21 o    2.488000      0.6807000       2.858000 0.9885000       2.119000      0.9361000      0.7394000       1.361000
  1 1 1     -16  -30   22 o    2.713000      0.6677000       1.707000 0.8039000       3.720000       1.066000      -2.013000       1.335000
  1 1 1     -16  -29    1 o    1.732000      0.5003000       1.939000 0.7434000       1.525000      0.6698000      0.4140000       1.001000
  1 1 1     -16  -29    2 o    4.620000      0.3543000       5.330000 0.3897000       3.909000      0.5919000       1.421000      0.7087000
  1 1 1     -16  -29    3 o    1.557000      0.4759000       1.622000 0.6693000       1.493000      0.6766000      0.1289000      0.9517000
  1 1 1     -16  -29    4 o    1.948000      0.5304000       1.555000 0.6811000       2.341000      0.8133000     -0.7857000       1.061000
  1 1 1     -16  -29    5 o    2.470000      0.5597000       2.009000 0.7605000       2.931000      0.8213000     -0.9215000       1.119000
  1 1 1     -16  -29    6 o    4.856000      0.5327000       4.991000 0.5519000       4.721000      0.9114000      0.2694000       1.065000
  1 1 1     -16  -29    7 o    2.396000      0.6624000       2.067000 0.8069000       2.725000       1.051000     -0.6583000       1.325000
  1 1 1     -16  -29    8 o    5.071000      0.5216000       5.191000 0.5465000       4.951000      0.8887000      0.2407000       1.043000
  1 1 1     -16  -29    9 o    2.248000      0.5322000       1.310000 0.6312000       3.186000      0.8570000      -1.877000       1.064000
  1 1 1     -16  -29   10 o    3.578000      0.5501000       4.103000 0.6336000       3.052000      0.8995000       1.051000       1.100000
  1 1 1     -16  -29   11 o    1.864000      0.5564000       2.033000 0.8025000       1.695000      0.7710000      0.3383000       1.113000
  1 1 1     -16  -29   12 o    2.430000      0.6359000       2.604000 0.8994000       2.255000      0.8993000      0.3493000       1.272000
  1 1 1     -16  -29   13 o    3.840000      0.5744000       2.598000 0.9198000       5.082000      0.6883000      -2.484000       1.149000
  1 1 1     -16  -29   14 o    6.083000      0.4080000       6.571000 0.4682000       5.594000      0.6684000      0.9770000      0.8160000
  1 1 1     -16  -29   15 o    7.018000      0.3710000       6.690000 0.5245000       7.345000      0.5249000     -0.6554000      0.7421000
  1 1 1     -16  -29   16 o    2.432000      0.6489000       2.527000 0.8877000       2.337000      0.9468000      0.1897000       1.298000
  1 1 1     -16  -29   17 o    3.204000      0.6369000       2.173000 0.8968000       4.235000      0.9047000      -2.063000       1.274000
  1 1 1     -16  -29   18 o    2.168000      0.6228000       2.428000 0.9031000       1.907000      0.8579000      0.5207000       1.246000
  1 1 1     -16  -29   19 o    3.557000      0.6139000       2.192000 0.9071000       4.922000      0.8273000      -2.729000       1.228000
  1 1 1     -16  -29   20 o    2.996000      0.7104000       2.709000 0.9782000       3.282000       1.031000     -0.5730000       1.421000
  1 1 1     -16  -29   21 o    2.730000      0.6651000       3.289000 0.9569000       2.170000      0.9239000       1.119000       1.330000
  1 1 1     -16  -29   22 o    2.418000      0.6710000       2.690000 0.9644000       2.146000      0.9333000      0.5434000       1.342000
  1 1 1     -16  -29   23 o    2.826000      0.7093000       2.366000 0.9609000       3.286000       1.044000     -0.9194000       1.419000
  1 1 1     -16  -28    1 o    5.444000      0.2878000       5.224000 0.4014000       5.663000      0.4125000     -0.4382000      0.5756000
  1 1 1     -16  -28    2 o    3.295000      0.6823000       2.542000 1.080000       4.048000      0.8339000      -1.506000       1.365000
  1 1 1     -16  -28    3 o    2.336000      0.6835000       2.650000 1.070000       2.023000      0.8508000      0.6266000       1.367000
  1 1 1     -16  -28    4 o    4.623000      0.6219000       4.952000 0.9795000       4.293000      0.7664000      0.6591000       1.244000
  1 1 1     -16  -28    5 o    5.440000      0.6611000       4.501000 1.176000       6.379000      0.6044000      -1.879000       1.322000
  1 1 1     -16  -28    6 o    5.496000      0.3425000       5.808000 0.4309000       5.185000      0.5324000      0.6226000      0.6849000
  1 1 1     -16  -28    7 o    4.004000      0.4563000       3.981000 0.6224000       4.026000      0.6673000     -0.4426000E-01  0.9125000
  1 1 1     -16  -28    8 o    4.647000      0.4243000       5.039000 0.5185000       4.255000      0.6717000      0.7847000      0.8486000
  1 1 1     -16  -28    9 o    6.282000      0.5894000       6.765000 1.074000       5.799000      0.4852000      0.9660000       1.179000
  1 1 1     -16  -28   10 o    3.646000      0.6358000       4.309000 0.6471000       2.982000       1.095000       1.326000       1.272000
  1 1 1     -16  -28   11 o    2.997000      0.6693000       3.054000 0.8227000       2.939000       1.056000      0.1153000       1.339000
  1 1 1     -16  -28   12 o    2.834000      0.6630000       2.893000 0.9255000       2.776000      0.9495000      0.1170000       1.326000
  1 1 1     -16  -28   13 o    7.594000      0.3324000       7.622000 0.4427000       7.566000      0.4960000      0.5563000E-01  0.6648000
  1 1 1     -16  -28   14 o    5.393000      0.4324000       5.966000 0.4961000       4.820000      0.7083000       1.146000      0.8647000
  1 1 1     -16  -28   15 o    3.134000      0.6373000       2.602000 0.9261000       3.666000      0.8757000      -1.063000       1.275000
  1 1 1     -16  -28   16 o    7.918000      0.3527000       7.957000 0.4609000       7.879000      0.5340000      0.7821000E-01  0.7054000
  1 1 1     -16  -28   17 o    2.474000      0.6709000       2.085000 0.8861000       2.863000       1.008000     -0.7786000       1.342000
  1 1 1     -16  -28   18 o    3.119000      0.6818000       2.537000 0.9162000       3.700000       1.010000      -1.163000       1.364000
  1 1 1     -16  -28   19 o    2.023000      0.6287000       2.098000 0.8825000       1.947000      0.8957000      0.1515000       1.257000
  1 1 1     -16  -28   20 o    2.262000      0.6643000       1.798000 0.8294000       2.726000       1.038000     -0.9283000       1.329000
  1 1 1     -16  -28   21 o    2.338000      0.9417000       2.338000 0.9417000                  ?              ?              ?              ?
  1 1 1     -16  -28   22 o    2.374000      0.6843000       2.375000 0.9403000       2.373000      0.9944000      0.2371000E-02   1.369000
  1 1 1     -16  -28   23 o    2.882000       1.064000                  ?       ?   2.882000       1.064000                  ?              ?
  1 1 1     -16  -28   24 o    3.569000      0.7013000       3.085000 1.035000       4.053000      0.9466000     -0.9676000       1.403000
  1 1 1     -16  -27    1 o    4.681000      0.3040000       5.073000 0.3835000       4.288000      0.4717000      0.7848000      0.6079000
  1 1 1     -16  -27    2 f    6.552000      0.2699000       6.984000 0.3575000       6.119000      0.4043000      0.8648000      0.5397000
  1 1 1     -16  -27    3 o    7.944000      0.2517000       7.817000 0.3512000       8.071000      0.3606000     -0.2541000      0.5034000
  1 1 1     -16  -27    4 f    5.939000      0.2812000       6.073000 0.3736000       5.805000      0.4202000      0.2678000      0.5623000
  1 1 1     -16  -27    5 o    3.754000      0.4329000       3.164000 0.6369000       4.345000      0.5864000      -1.181000      0.8657000
  1 1 1     -16  -27    6 o    5.011000      0.5595000       5.375000 0.9860000       4.647000      0.5293000      0.7279000       1.119000
  1 1 1     -16  -27    7 o    5.537000      0.5899000       4.924000 1.018000       6.149000      0.5956000      -1.225000       1.180000
  1 1 1     -16  -27    8 f    5.292000      0.6852000       4.910000 1.200000       5.674000      0.6622000     -0.7642000       1.370000
  1 1 1     -16  -27    9 o    3.908000      0.4911000       3.098000 0.8124000       4.717000      0.5521000      -1.618000      0.9823000
  1 1 1     -16  -27   10 o    2.142000      0.5820000       2.021000 0.7686000       2.263000      0.8742000     -0.2416000       1.164000
  1 1 1     -16  -27   11 o    7.278000      0.3034000       7.281000 0.4028000       7.275000      0.4540000      0.6333000E-02  0.6069000
  1 1 1     -16  -27   12 o    3.246000      0.6793000       3.185000 0.8035000       3.308000       1.096000     -0.1226000       1.359000
  1 1 1     -16  -27   13 o    6.692000      0.4870000       6.895000 0.5675000       6.489000      0.7916000      0.4060000      0.9740000
  1 1 1     -16  -27   14 o    4.142000      0.6864000       5.153000 0.6662000       3.130000       1.200000       2.023000       1.373000
  1 1 1     -16  -27   15 o    2.893000      0.6349000       3.051000 0.8398000       2.736000      0.9525000      0.3145000       1.270000
  1 1 1     -16  -27   16 o    2.962000      0.6650000       2.533000 0.9009000       3.392000      0.9784000     -0.8591000       1.330000
  1 1 1     -16  -27   17 o    7.035000      0.3607000       6.567000 0.5056000       7.503000      0.5147000     -0.9356000      0.7215000
  1 1 1     -16  -27   18 o    3.929000      0.6243000       4.297000 0.7667000       3.561000      0.9855000      0.7364000       1.249000
  1 1 1     -16  -27   19 o    1.856000      0.5779000       2.174000 0.8877000       1.538000      0.7401000      0.6362000       1.156000
  1 1 1     -16  -27   20 o    4.313000      0.5797000       4.062000 0.7749000       4.563000      0.8625000     -0.5015000       1.159000
  1 1 1     -16  -27   21 o    6.561000      0.5767000       6.561000 0.5767000                  ?              ?              ?              ?
  1 1 1     -16  -27   22 f    4.085000      0.6668000       3.972000 0.9184000       4.198000      0.9670000     -0.2263000       1.334000
  1 1 1     -16  -27   23 o    2.668000       1.022000                  ?       ?   2.668000       1.022000                  ?              ?
  1 1 1     -16  -27   24 o    1.915000      0.6052000       1.585000 0.7640000       2.245000      0.9389000     -0.6603000       1.210000
  1 1 1     -16  -27   25 o    3.096000      0.7014000       3.422000 1.023000       2.771000      0.9604000      0.6509000       1.403000
  1 1 1     -16  -26    1 f    1.616000      0.4779000       1.520000 0.6584000       1.712000      0.6927000     -0.1919000      0.9557000
  1 1 1     -16  -26    2 o    8.668000      0.2368000       8.707000 0.3274000       8.629000      0.3421000      0.7778000E-01  0.4736000
  1 1 1     -16  -26    3 o    5.236000      0.2999000       5.461000 0.4002000       5.010000      0.4468000      0.4502000      0.5998000
  1 1 1     -16  -26    4 o    7.708000      0.2486000       7.482000 0.3496000       7.933000      0.3537000     -0.4505000      0.4973000
  1 1 1     -16  -26    5 o    1.962000      0.5201000       2.164000 0.7213000       1.760000      0.7495000      0.4043000       1.040000
  1 1 1     -16  -26    6 o    5.442000      0.3311000       5.566000 0.4496000       5.318000      0.4862000      0.2478000      0.6623000
  1 1 1     -16  -26    7 o    3.693000      0.4886000       3.831000 0.6515000       3.555000      0.7284000      0.2760000      0.9772000
  1 1 1     -16  -26    8 o    5.857000      0.3307000       5.679000 0.4619000       6.034000      0.4733000     -0.3554000      0.6613000
  1 1 1     -16  -26    9 o    4.328000      0.3974000       4.312000 0.5127000       4.345000      0.6073000     -0.3309000E-01  0.7948000
  1 1 1     -16  -26   10 o    2.588000      0.7117000       3.306000 1.157000       1.871000      0.8299000       1.435000       1.423000
  1 1 1     -16  -26   11 o    2.936000      0.7900000       3.097000 1.215000       2.776000       1.010000      0.3208000       1.580000
  1 1 1     -16  -26   12 o    2.993000      0.6239000       3.060000 0.8487000       2.926000      0.9146000      0.1349000       1.248000
  1 1 1     -16  -26   13 o    2.454000      0.5849000       1.831000 0.7681000       3.078000      0.8823000      -1.247000       1.170000
  1 1 1     -16  -26   14 o    2.170000      0.5634000       2.876000 0.8787000       1.464000      0.7052000       1.412000       1.127000
  1 1 1     -16  -26   15 o    3.725000      0.7454000       3.732000 0.8732000       3.719000       1.208000      0.1323000E-01   1.491000
  1 1 1     -16  -26   16 o    2.095000      0.6312000       2.358000 0.9043000       1.832000      0.8809000      0.5262000       1.262000
  1 1 1     -16  -26   17 o    5.488000      0.4864000       6.172000 0.5481000       4.804000      0.8037000       1.367000      0.9728000
  1 1 1     -16  -26   18 o    2.433000      0.6074000       3.162000 0.9161000       1.704000      0.7977000       1.458000       1.215000
  1 1 1     -16  -26   19 o    3.529000      0.6385000       3.889000 0.7936000       3.170000       1.001000      0.7193000       1.277000
  1 1 1     -16  -26   20 o    3.021000      0.6738000       2.196000 0.9057000       3.847000      0.9977000      -1.651000       1.348000
  1 1 1     -16  -26   21 o    3.174000      0.7229000       3.120000 0.9641000       3.228000       1.077000     -0.1078000       1.446000
  1 1 1     -16  -26   22 o    5.283000      0.5619000       6.366000 0.5935000       4.199000      0.9543000       2.168000       1.124000
  1 1 1     -16  -26   23 o    2.589000      0.7026000       2.397000 0.9531000       2.780000       1.033000     -0.3829000       1.405000
  1 1 1     -16  -26   24 o    2.999000      0.7044000       3.329000 0.9818000       2.669000       1.010000      0.6601000       1.409000
  1 1 1     -16  -26   25 o    3.320000      0.6883000       2.953000 0.9889000       3.687000      0.9576000     -0.7335000       1.377000
  1 1 1     -16  -26   26 o    3.611000      0.6386000       4.520000 0.8088000       2.702000      0.9883000       1.818000       1.277000
  1 1 1     -16  -25    1 o    6.762000      0.2488000       6.858000 0.3482000       6.666000      0.3554000      0.1916000      0.4976000
  1 1 1     -16  -25    2 o    4.243000      0.3352000       4.480000 0.4064000       4.005000      0.5332000      0.4745000      0.6705000
  1 1 1     -16  -25    3 o    5.678000      0.2820000       5.458000 0.4142000       5.897000      0.3829000     -0.4385000      0.5640000
  1 1 1     -16  -25    4 o    2.376000      0.4984000       2.874000 0.6492000       1.878000      0.7565000      0.9956000      0.9969000
  1 1 1     -16  -25    5 o    8.899000      0.2452000       9.283000 0.3387000       8.514000      0.3548000      0.7688000      0.4905000
  1 1 1     -16  -25    6 o    8.259000      0.2530000       8.035000 0.3570000       8.484000      0.3585000     -0.4497000      0.5060000
  1 1 1     -16  -25    7 o    3.015000      0.5167000       2.836000 0.7355000       3.194000      0.7259000     -0.3581000       1.033000
  1 1 1     -16  -25    8 o    12.16000      0.2528000       12.15000 0.3579000       12.17000      0.3571000     -0.1587000E-01  0.5056000
  1 1 1     -16  -25    9 o    8.527000      0.2695000       8.563000 0.3630000       8.491000      0.3984000      0.7182000E-01  0.5390000
  1 1 1     -16  -25   10 o    8.601000      0.2679000       8.507000 0.3632000       8.696000      0.3939000     -0.1886000      0.5358000
  1 1 1     -16  -25   11 o    5.383000      0.3540000       5.229000 0.4852000       5.537000      0.5155000     -0.3078000      0.7079000
  1 1 1     -16  -25   12 o    4.866000      0.6941000       3.296000 1.210000       6.436000      0.6806000      -3.140000       1.388000
  1 1 1     -16  -25   13 o    6.218000      0.6007000       6.232000 0.9573000       6.203000      0.7259000      0.2837000E-01   1.201000
  1 1 1     -16  -25   14 o    2.662000      0.6684000       2.495000 0.8188000       2.829000       1.057000     -0.3330000       1.337000
  1 1 1     -16  -25   15 o    4.288000      0.4832000       4.526000 0.5932000       4.049000      0.7629000      0.4776000      0.9664000
  1 1 1     -16  -25   16 o    1.726000      0.5503000       1.757000 0.7735000       1.696000      0.7829000      0.6063000E-01   1.101000
  1 1 1     -16  -25   17 o    4.278000      0.6769000       5.190000 0.6781000       3.366000       1.172000       1.824000       1.354000
  1 1 1     -16  -25   18 o    3.854000      0.7653000       3.914000 0.8430000       3.794000       1.277000      0.1198000       1.531000
  1 1 1     -16  -25   19 f    3.586000      0.6635000       3.722000 0.8607000       3.450000       1.010000      0.2714000       1.327000
  1 1 1     -16  -25   20 o    2.846000      0.6826000       2.582000 0.9160000       3.111000       1.012000     -0.5286000       1.365000
  1 1 1     -16  -25   21 o    1.988000      0.6188000       2.004000 0.8607000       1.973000      0.8893000      0.3112000E-01   1.238000
  1 1 1     -16  -25   22 o    2.662000      0.7299000       2.583000 1.000000       2.741000       1.063000     -0.1581000       1.460000
  1 1 1     -16  -25   23 o    3.540000      0.6975000       4.352000 0.8962000       2.729000       1.069000       1.623000       1.395000
  1 1 1     -16  -25   24 o    1.850000      0.6038000       1.719000 0.8109000       1.980000      0.8948000     -0.2606000       1.208000
  1 1 1     -16  -25   25 o    3.919000      0.6674000       3.511000 0.9968000       4.327000      0.8878000     -0.8163000       1.335000
  1 1 1     -16  -25   26 o    1.680000      0.5619000       1.802000 0.8348000       1.558000      0.7522000      0.2434000       1.124000
  1 1 1     -16  -25   27 o    2.490000      0.6081000       1.590000 0.7540000       3.390000      0.9544000      -1.800000       1.216000
  1 1 1     -16  -24    1 f    8.409000      0.2211000       8.305000 0.3105000       8.512000      0.3147000     -0.2072000      0.4421000
  1 1 1     -16  -24    2 o    5.930000      0.2852000       5.684000 0.4040000       6.176000      0.4027000     -0.4917000      0.5705000
  1 1 1     -16  -24    3 o    1.940000      0.5050000       1.594000 0.6554000       2.286000      0.7685000     -0.6924000       1.010000
  1 1 1     -16  -24    4 o    5.797000      0.3053000       6.252000 0.4001000       5.342000      0.4612000      0.9102000      0.6106000
  1 1 1     -16  -24    5 o    2.676000      0.5268000       2.714000 0.7099000       2.638000      0.7786000      0.7597000E-01   1.054000
  1 1 1     -16  -24    6 o    12.81000      0.2503000       13.00000 0.3581000       12.62000      0.3497000      0.3778000      0.5005000
  1 1 1     -16  -24    7 o    2.554000      0.5228000       3.062000 0.6638000       2.045000      0.8078000       1.017000       1.046000
  1 1 1     -16  -24    8 o    8.891000      0.2534000       9.068000 0.3500000       8.714000      0.3666000      0.3539000      0.5069000
  1 1 1     -16  -24    9 o    4.409000      0.4143000       4.206000 0.5829000       4.611000      0.5889000     -0.4051000      0.8286000
  1 1 1     -16  -24   10 o    8.590000      0.2715000       8.686000 0.3722000       8.494000      0.3953000      0.1917000      0.5430000
  1 1 1     -16  -24   11 o    8.412000      0.2759000       8.037000 0.3834000       8.788000      0.3970000     -0.7504000      0.5519000
  1 1 1     -16  -24   12 o    2.225000      0.5805000       1.810000 0.7647000       2.639000      0.8735000     -0.8282000       1.161000
  1 1 1     -16  -24   13 o    8.078000      0.2976000       8.019000 0.4040000       8.136000      0.4372000     -0.1165000      0.5953000
  1 1 1     -16  -24   14 o    5.886000      0.4858000       6.620000 0.8375000       5.153000      0.4924000       1.466000      0.9715000
  1 1 1     -16  -24   15 o    5.495000      0.6029000       6.211000 0.8481000       4.778000      0.8572000       1.432000       1.206000
  1 1 1     -16  -24   16 f    2.514000      0.6277000       1.657000 0.7345000       3.371000       1.018000      -1.715000       1.255000
  1 1 1     -16  -24   17 o    5.678000      0.4682000       6.701000 0.4987000       4.654000      0.7926000       2.047000      0.9364000
  1 1 1     -16  -24   18 f    1.929000      0.5943000       1.881000 0.8160000       1.976000      0.8642000     -0.9538000E-01   1.189000
  1 1 1     -16  -24   19 o    3.829000      0.7729000       3.598000 0.9235000       4.060000       1.240000     -0.4620000       1.546000
  1 1 1     -16  -24   20 o    3.714000      0.7966000       4.078000 0.9548000       3.351000       1.275000      0.7272000       1.593000
  1 1 1     -16  -24   21 o    3.551000      0.6873000       3.767000 0.9083000       3.335000       1.032000      0.4322000       1.375000
  1 1 1     -16  -24   22 o    2.689000      0.9585000       2.689000 0.9585000                  ?              ?              ?              ?
  1 1 1     -16  -24   23 o    5.602000      0.5208000       6.232000 0.5988000       4.971000      0.8522000       1.261000       1.042000
  1 1 1     -16  -24   24 o    3.097000       1.019000                  ?       ?   3.097000       1.019000                  ?              ?
  1 1 1     -16  -24   25 o    3.317000      0.6547000       3.949000 0.8915000       2.684000      0.9589000       1.265000       1.309000
  1 1 1     -16  -24   26 o    2.865000      0.6830000       2.990000 0.9700000       2.741000      0.9618000      0.2486000       1.366000
  1 1 1     -16  -24   27 o    2.020000      0.6142000       1.686000 0.7905000       2.354000      0.9401000     -0.6673000       1.228000
  1 1 1     -16  -24   28 o    1.669000      0.5471000       1.727000 0.7869000       1.610000      0.7603000      0.1163000       1.094000
  1 1 1     -16  -23    1 o    13.22000      0.2373000       13.32000 0.3370000       13.11000      0.3341000      0.2077000      0.4745000
  1 1 1     -16  -23    2 o    10.56000      0.2281000       10.43000 0.3195000       10.69000      0.3257000     -0.2547000      0.4562000
  1 1 1     -16  -23    3 o    6.585000      0.2687000       6.863000 0.3625000       6.306000      0.3966000      0.5571000      0.5373000
  1 1 1     -16  -23    4 o    6.604000      0.2622000       6.078000 0.3766000       7.130000      0.3650000      -1.053000      0.5245000
  1 1 1     -16  -23    5 o    5.067000      0.3291000       4.948000 0.4605000       5.186000      0.4703000     -0.2376000      0.6582000
  1 1 1     -16  -23    6 o    8.629000      0.2429000       8.559000 0.3372000       8.699000      0.3497000     -0.1393000      0.4858000
  1 1 1     -16  -23    7 o    11.04000      0.2420000       10.90000 0.3333000       11.18000      0.3509000     -0.2838000      0.4839000
  1 1 1     -16  -23    8 o    4.704000      0.3633000       4.458000 0.4988000       4.949000      0.5283000     -0.4909000      0.7266000
  1 1 1     -16  -23    9 o    7.814000      0.2786000       8.186000 0.3709000       7.442000      0.4159000      0.7440000      0.5573000
  1 1 1     -16  -23   10 o    6.481000      0.3155000       6.967000 0.3967000       5.996000      0.4907000      0.9702000      0.6310000
  1 1 1     -16  -23   11 o    2.016000      0.5504000       1.580000 0.6983000       2.453000      0.8510000     -0.8730000       1.101000
  1 1 1     -16  -23   12 o    9.731000      0.2732000       9.576000 0.3725000       9.886000      0.3999000     -0.3103000      0.5465000
  1 1 1     -16  -23   13 o    7.445000      0.3039000       6.922000 0.4265000       7.968000      0.4330000      -1.046000      0.6078000
  1 1 1     -16  -23   14 o    6.102000      0.3615000       6.278000 0.4721000       5.925000      0.5475000      0.3530000      0.7229000
  1 1 1     -16  -23   15 o    13.71000      0.2767000       14.03000 0.3913000       13.39000      0.3912000      0.6343000      0.5533000
  1 1 1     -16  -23   16 o    5.987000      0.6088000       5.639000 1.024000       6.335000      0.6593000     -0.6961000       1.218000
  1 1 1     -16  -23   17 o    2.530000      0.7512000       2.401000 1.077000       2.659000       1.048000     -0.2583000       1.502000
  1 1 1     -16  -23   18 o    2.095000      0.6119000       2.415000 0.9120000       1.775000      0.8160000      0.6403000       1.224000
  1 1 1     -16  -23   19 o    3.461000      0.6214000       2.844000 0.8995000       4.079000      0.8575000      -1.235000       1.243000
  1 1 1     -16  -23   20 o    2.900000      0.7439000       1.868000 0.8148000       3.931000       1.245000      -2.063000       1.488000
  1 1 1     -16  -23   21 o    4.175000      0.7878000       4.632000 0.8902000       3.718000       1.300000      0.9138000       1.576000
  1 1 1     -16  -23   22 o    3.972000      0.9291000       3.972000 0.9291000                  ?              ?              ?              ?
  1 1 1     -16  -23   23 o    5.247000      0.5447000       4.411000 0.8395000       6.083000      0.6941000      -1.672000       1.089000
  1 1 1     -16  -23   24 o    4.159000      0.9457000                  ?       ?   4.159000      0.9457000                  ?              ?
  1 1 1     -16  -23   25 o    3.346000      0.7048000       3.261000 1.007000       3.432000      0.9862000     -0.1716000       1.410000
  1 1 1     -16  -23   26 o    2.136000      0.6383000       2.001000 0.8778000       2.272000      0.9269000     -0.2710000       1.277000
  1 1 1     -16  -23   27 o    2.935000      0.6843000       3.140000 0.9485000       2.731000      0.9867000      0.4083000       1.369000
  1 1 1     -16  -23   28 o    2.818000      0.6758000       3.206000 0.9598000       2.430000      0.9516000      0.7764000       1.352000
  1 1 1     -16  -23   29 o    1.972000      0.6116000       1.900000 0.8473000       2.044000      0.8823000     -0.1440000       1.223000
  1 1 1     -16  -22    1 o    7.915000      0.2234000       7.806000 0.3126000       8.024000      0.3193000     -0.2181000      0.4468000
  1 1 1     -16  -22    2 o    9.632000      0.2194000       9.484000 0.3086000       9.779000      0.3120000     -0.2949000      0.4388000
  1 1 1     -16  -22    3 o    5.842000      0.2845000       5.911000 0.3706000       5.772000      0.4316000      0.1391000      0.5689000
  1 1 1     -16  -22    4 o    3.174000      0.4533000       4.072000 0.5015000       2.277000      0.7553000       1.795000      0.9067000
  1 1 1     -16  -22    5 o    2.698000      0.4722000       3.563000 0.5660000       1.832000      0.7559000       1.731000      0.9444000
  1 1 1     -16  -22    6 o    3.913000      0.4303000       4.424000 0.4886000       3.402000      0.7085000       1.022000      0.8607000
  1 1 1     -16  -22    7 o    10.54000      0.2434000       10.49000 0.3318000       10.60000      0.3562000     -0.1183000      0.4868000
  1 1 1     -16  -22    8 o    11.38000      0.2512000       11.52000 0.3559000       11.24000      0.3545000      0.2840000      0.5023000
  1 1 1     -16  -22    9 o    3.375000      0.5121000       3.008000 0.7291000       3.742000      0.7194000     -0.7345000       1.024000
  1 1 1     -16  -22   10 o    6.888000      0.2892000       6.537000 0.4031000       7.239000      0.4150000     -0.7014000      0.5785000
  1 1 1     -16  -22   11 o    9.797000      0.2958000       9.922000 0.4541000       9.673000      0.3790000      0.2491000      0.5915000
  1 1 1     -16  -22   12 o    4.613000      0.4122000       4.653000 0.5205000       4.572000      0.6394000      0.8134000E-01  0.8244000
  1 1 1     -16  -22   13 o    6.080000      0.3236000       6.456000 0.4235000       5.703000      0.4893000      0.7536000      0.6472000
  1 1 1     -16  -22   14 o    10.55000      0.2746000       10.78000 0.3859000       10.33000      0.3907000      0.4533000      0.5491000
  1 1 1     -16  -22   15 o    9.563000      0.3191000       10.03000 0.4793000       9.092000      0.4213000      0.9413000      0.6382000
  1 1 1     -16  -22   16 o    5.741000      0.3975000       5.755000 0.5395000       5.728000      0.5840000      0.2687000E-01  0.7951000
  1 1 1     -16  -22   17 f    1.580000      0.5198000       1.410000 0.6689000       1.750000      0.7960000     -0.3400000       1.040000
  1 1 1     -16  -22   18 o    6.413000      0.5912000       6.200000 0.9652000       6.627000      0.6829000     -0.4265000       1.182000
  1 1 1     -16  -22   19 o    6.760000      0.5851000       6.543000 0.9343000       6.977000      0.7045000     -0.4335000       1.170000
  1 1 1     -16  -22   20 o    3.063000      0.5842000       2.007000 0.8408000       4.119000      0.8113000      -2.112000       1.168000
  1 1 1     -16  -22   21 o    3.135000      0.6853000       3.457000 0.9076000       2.814000       1.027000      0.6428000       1.371000
  1 1 1     -16  -22   22 o    2.644000      0.7828000       2.523000 1.024000       2.765000       1.184000     -0.2414000       1.566000
  1 1 1     -16  -22   23 o    4.005000      0.7013000       4.555000 0.9567000       3.455000       1.026000       1.100000       1.403000
  1 1 1     -16  -22   24 o    6.795000      0.4240000       6.737000 0.5748000       6.853000      0.6235000     -0.1157000      0.8480000
  1 1 1     -16  -22   25 o    5.851000      0.4867000       5.800000 0.6920000       5.901000      0.6846000     -0.1011000      0.9734000
  1 1 1     -16  -22   26 o    7.215000      0.4049000       7.584000 0.5401000       6.845000      0.6032000      0.7393000      0.8097000
  1 1 1     -16  -22   27 f    4.443000      0.5412000       4.073000 0.8098000       4.814000      0.7182000     -0.7406000       1.082000
  1 1 1     -16  -22   28 o    2.877000      0.6815000       3.150000 0.9624000       2.604000      0.9652000      0.5465000       1.363000
  1 1 1     -16  -22   29 o    4.084000      0.6076000       5.191000 0.7012000       2.977000      0.9925000       2.214000       1.215000
  1 1 1     -16  -21    1 o    1.996000      0.4725000       1.590000 0.6494000       2.402000      0.6864000     -0.8121000      0.9449000
  1 1 1     -16  -21    2 o    4.410000      0.3241000       4.922000 0.4112000       3.897000      0.5012000       1.025000      0.6483000
  1 1 1     -16  -21    3 o    7.323000      0.2368000       7.517000 0.3219000       7.129000      0.3472000      0.3887000      0.4735000
  1 1 1     -16  -21    4 o    5.206000      0.2905000       5.080000 0.4022000       5.332000      0.4192000     -0.2513000      0.5809000
  1 1 1     -16  -21    5 o    6.292000      0.2716000       6.171000 0.3744000       6.414000      0.3937000     -0.2437000      0.5433000
  1 1 1     -16  -21    6 o    9.075000      0.2399000       9.361000 0.3288000       8.788000      0.3495000      0.5722000      0.4798000
  1 1 1     -16  -21    7 o    7.931000      0.2528000       8.119000 0.3417000       7.743000      0.3725000      0.3757000      0.5055000
  1 1 1     -16  -21    8 o    5.987000      0.3076000       5.755000 0.4230000       6.220000      0.4467000     -0.4648000      0.6152000
  1 1 1     -16  -21    9 o    9.025000      0.2500000       9.088000 0.3393000       8.961000      0.3673000      0.1276000      0.5001000
  1 1 1     -16  -21   10 o    5.012000      0.3735000       4.685000 0.5259000       5.340000      0.5304000     -0.6545000      0.7469000
  1 1 1     -16  -21   11 o    6.465000      0.3079000       6.568000 0.4163000       6.363000      0.4537000      0.2050000      0.6158000
  1 1 1     -16  -21   12 o    6.332000      0.3175000       5.985000 0.4538000       6.678000      0.4442000     -0.6934000      0.6350000
  1 1 1     -16  -21   13 o    3.772000      0.4936000       3.777000 0.6678000       3.767000      0.7271000      0.1000000E-01  0.9872000
  1 1 1     -16  -21   14 o    4.595000      0.4736000       5.209000 0.5407000       3.981000      0.7776000       1.228000      0.9471000
  1 1 1     -16  -21   15 o    14.12000      0.2793000       14.03000 0.3898000       14.21000      0.4001000     -0.1797000      0.5586000
  1 1 1     -16  -21   16 o    8.604000      0.2837000       8.806000 0.3895000       8.402000      0.4126000      0.4041000      0.5674000
  1 1 1     -16  -21   17 o    5.887000      0.3738000       5.541000 0.5157000       6.234000      0.5413000     -0.6931000      0.7476000
  1 1 1     -16  -21   18 o    6.209000      0.3830000       5.961000 0.5419000       6.457000      0.5414000     -0.4958000      0.7660000
  1 1 1     -16  -21   19 o    5.223000      0.7185000       5.494000 1.054000       4.953000      0.9765000      0.5409000       1.437000
  1 1 1     -16  -21   20 o    2.746000      0.7965000       2.994000 1.194000       2.497000       1.055000      0.4969000       1.593000
  1 1 1     -16  -21   21 o    2.374000      0.6607000       2.412000 0.9060000       2.335000      0.9618000      0.7721000E-01   1.321000
  1 1 1     -16  -21   22 f    5.740000      0.4633000       5.622000 0.6569000       5.859000      0.6534000     -0.2363000      0.9266000
  1 1 1     -16  -21   23 o    2.047000      0.6822000       1.813000 0.8543000       2.281000       1.064000     -0.4681000       1.364000
  1 1 1     -16  -21   24 o    4.118000      0.8290000       4.471000 1.020000       3.766000       1.307000      0.7047000       1.658000
  1 1 1     -16  -21   25 o    8.638000      0.3599000       8.763000 0.5043000       8.512000      0.5136000      0.2505000      0.7198000
  1 1 1     -16  -21   26 o    3.748000      0.6488000       2.892000 1.002000       4.603000      0.8249000      -1.710000       1.298000
  1 1 1     -16  -21   27 o    5.990000      0.4363000       5.673000 0.6304000       6.307000      0.6035000     -0.6340000      0.8727000
  1 1 1     -16  -21   28 o    1.774000      0.5763000       1.667000 0.7784000       1.881000      0.8499000     -0.2148000       1.153000
  1 1 1     -16  -21   29 o    1.923000      0.5971000       1.811000 0.8205000       2.034000      0.8676000     -0.2226000       1.194000
  1 1 1     -16  -21   30 o    2.249000      0.6449000       2.368000 0.9319000       2.129000      0.8917000      0.2390000       1.290000
  1 1 1     -16  -20    1 o    8.561000      0.2818000       8.511000 0.3663000       8.612000      0.4284000     -0.1011000      0.5636000
  1 1 1     -16  -20    2 o    8.561000      0.2843000       8.685000 0.3720000       8.438000      0.4301000      0.2469000      0.5687000
  1 1 1     -16  -20    3 o    11.36000      0.2279000       11.41000 0.3223000       11.32000      0.3224000      0.8567000E-01  0.4559000
  1 1 1     -16  -20    4 o    8.320000      0.2334000       7.981000 0.3332000       8.660000      0.3269000     -0.6793000      0.4668000
  1 1 1     -16  -20    5 o    7.050000      0.2456000       6.974000 0.3372000       7.126000      0.3571000     -0.1516000      0.4911000
  1 1 1     -16  -20    6 o    5.724000      0.2865000       5.923000 0.3750000       5.525000      0.4332000      0.3973000      0.5729000
  1 1 1     -16  -20    7 o    3.885000      0.3762000       3.612000 0.5550000       4.158000      0.5079000     -0.5462000      0.7523000
  1 1 1     -16  -20    8 o    5.134000      0.3297000       5.033000 0.4626000       5.234000      0.4700000     -0.2011000      0.6595000
  1 1 1     -16  -20    9 o    6.170000      0.2899000       6.032000 0.4009000       6.308000      0.4190000     -0.2760000      0.5799000
  1 1 1     -16  -20   10 o    4.765000      0.3675000       5.175000 0.4705000       4.355000      0.5647000      0.8197000      0.7350000
  1 1 1     -16  -20   11 o    2.530000      0.5673000       2.344000 0.7779000       2.715000      0.8261000     -0.3708000       1.135000
  1 1 1     -16  -20   12 o    9.809000      0.2606000       9.736000 0.3615000       9.881000      0.3755000     -0.1453000      0.5212000
  1 1 1     -16  -20   13 o    12.98000      0.2660000       12.70000 0.3746000       13.26000      0.3776000     -0.5646000      0.5319000
  1 1 1     -16  -20   14 o    8.660000      0.2773000       8.709000 0.3894000       8.610000      0.3948000      0.9929000E-01  0.5545000
  1 1 1     -16  -20   15 o    8.109000      0.2993000       7.843000 0.4186000       8.374000      0.4281000     -0.5304000      0.5987000
  1 1 1     -16  -20   16 o    12.54000      0.2699000       12.43000 0.3766000       12.65000      0.3866000     -0.2145000      0.5397000
  1 1 1     -16  -20   17 o    5.678000      0.3914000       5.008000 0.5873000       6.347000      0.5174000      -1.339000      0.7827000
  1 1 1     -16  -20   18 o    4.433000      0.5160000       5.238000 0.5728000       3.628000      0.8583000       1.610000       1.032000
  1 1 1     -16  -20   19 o    9.262000      0.2954000       9.294000 0.4081000       9.230000      0.4273000      0.6374000E-01  0.5909000
  1 1 1     -16  -20   20 o    3.041000      0.5872000       2.150000 0.8323000       3.932000      0.8286000      -1.783000       1.174000
  1 1 1     -16  -20   21 o    3.670000      0.8108000       4.393000 1.172000       2.947000       1.120000       1.447000       1.622000
  1 1 1     -16  -20   22 o    3.163000      0.7110000       3.013000 0.9834000       3.314000       1.027000     -0.3011000       1.422000
  1 1 1     -16  -20   23 o    8.546000      0.5069000       8.546000 0.5069000                  ?              ?              ?              ?
  1 1 1     -16  -20   24 o    6.588000      0.6331000       6.747000 0.7465000       6.428000       1.023000      0.3187000       1.266000
  1 1 1     -16  -20   25 f    5.569000      0.6618000       5.895000 0.7316000       5.243000       1.103000      0.6524000       1.324000
  1 1 1     -16  -20   26 o    3.623000      0.6606000       3.808000 0.8955000       3.439000      0.9716000      0.3694000       1.321000
  1 1 1     -16  -20   27 o    2.614000      0.6649000       2.128000 0.9101000       3.100000      0.9696000     -0.9722000       1.330000
  1 1 1     -16  -20   28 o    2.146000      0.6413000       1.793000 0.8293000       2.500000      0.9784000     -0.7077000       1.283000
  1 1 1     -16  -20   29 o    2.466000      0.6572000       2.677000 0.9625000       2.256000      0.8952000      0.4209000       1.314000
  1 1 1     -16  -20   30 o    3.420000      0.6402000       2.916000 0.9449000       3.925000      0.8640000      -1.009000       1.280000
  1 1 1     -16  -20   31 o    3.306000      0.8309000       4.182000 1.266000       2.430000       1.077000       1.752000       1.662000
  1 1 1     -16  -19    1 o    5.082000      0.2577000       4.808000 0.3709000       5.355000      0.3579000     -0.5472000      0.5154000
  1 1 1     -16  -19    2 o    11.15000      0.2205000       11.16000 0.3123000       11.13000      0.3114000      0.2938000E-01  0.4410000
  1 1 1     -16  -19    3 o    5.190000      0.3708000       5.169000 0.4323000       5.210000      0.6024000     -0.4086000E-01  0.7415000
  1 1 1     -16  -19    4 o    1.870000      0.5128000       2.187000 0.7341000       1.552000      0.7161000      0.6350000       1.026000
  1 1 1     -16  -19    5 o    10.62000      0.2364000       10.37000 0.3301000       10.87000      0.3386000     -0.5000000      0.4729000
  1 1 1     -16  -19    6 o    2.557000      0.5063000       2.818000 0.6636000       2.296000      0.7649000      0.5224000       1.013000
  1 1 1     -16  -19    7 o    9.566000      0.2400000       9.800000 0.3344000       9.331000      0.3443000      0.4688000      0.4799000
  1 1 1     -16  -19    8 o    7.323000      0.2631000       7.711000 0.3518000       6.935000      0.3914000      0.7755000      0.5262000
  1 1 1     -16  -19    9 o    8.414000      0.2557000       8.072000 0.3540000       8.757000      0.3690000     -0.6844000      0.5114000
  1 1 1     -16  -19   10 o    5.748000      0.3246000       5.751000 0.4532000       5.745000      0.4648000      0.6501000E-02  0.6492000
  1 1 1     -16  -19   11 o    6.769000      0.3070000       6.517000 0.4365000       7.021000      0.4317000     -0.5033000      0.6139000
  1 1 1     -16  -19   12 o    5.682000      0.3389000       5.838000 0.4379000       5.525000      0.5173000      0.3132000      0.6777000
  1 1 1     -16  -19   13 o    7.083000      0.2874000       7.116000 0.3962000       7.049000      0.4164000      0.6623000E-01  0.5747000
  1 1 1     -16  -19   14 o    17.13000      0.2914000       16.68000 0.4060000       17.58000      0.4183000     -0.8953000      0.5829000
  1 1 1     -16  -19   15 o    4.527000      0.4386000       5.055000 0.5276000       3.998000      0.7009000       1.058000      0.8773000
  1 1 1     -16  -19   16 o    13.77000      0.2784000       13.71000 0.3921000       13.82000      0.3954000     -0.1186000      0.5569000
  1 1 1     -16  -19   17 o    12.63000      0.2723000       12.40000 0.3824000       12.87000      0.3878000     -0.4681000      0.5446000
  1 1 1     -16  -19   18 o    5.992000      0.3787000       6.295000 0.4930000       5.689000      0.5750000      0.6056000      0.7575000
  1 1 1     -16  -19   19 o    8.637000      0.3157000       8.676000 0.4362000       8.597000      0.4566000      0.7895000E-01  0.6314000
  1 1 1     -16  -19   20 o    5.279000      0.4676000       4.446000 0.7278000       6.111000      0.5872000      -1.665000      0.9352000
  1 1 1     -16  -19   21 o    4.272000      0.5700000       5.037000 0.6182000       3.507000      0.9578000       1.530000       1.140000
  1 1 1     -16  -19   22 o    8.544000      0.5114000       9.164000 0.7446000       7.925000      0.7013000       1.239000       1.023000
  1 1 1     -16  -19   23 o    1.983000      0.8800000       1.983000 0.8800000                  ?              ?              ?              ?
  1 1 1     -16  -19   24 o    2.792000      0.6950000       2.765000 0.9744000       2.818000      0.9912000     -0.5304000E-01   1.390000
  1 1 1     -16  -19   25 o    3.685000       1.247000                  ?       ?   3.685000       1.247000                  ?              ?
  1 1 1     -16  -19   26 o    4.063000      0.7660000       3.726000 1.040000       4.400000       1.125000     -0.6743000       1.532000
  1 1 1     -16  -19   27 f    4.323000      0.6204000       4.244000 0.8555000       4.403000      0.8988000     -0.1590000       1.241000
  1 1 1     -16  -19   28 o    2.514000      0.6837000       2.469000 0.9510000       2.558000      0.9825000     -0.8908000E-01   1.367000
  1 1 1     -16  -19   29 o    3.801000      0.6298000       3.775000 0.9234000       3.828000      0.8566000     -0.5301000E-01   1.260000
  1 1 1     -16  -19   30 o    2.478000      0.6654000       2.199000 0.9277000       2.758000      0.9542000     -0.5588000       1.331000
  1 1 1     -16  -19   31 o    2.183000      0.6304000       2.353000 0.9143000       2.013000      0.8683000      0.3399000       1.261000
  1 1 1     -16  -18    1 o    3.954000      0.5221000       3.484000 0.8958000       4.424000      0.5364000     -0.9400000       1.044000
  1 1 1     -16  -18    2 o    11.69000      0.2232000       11.85000 0.3173000       11.53000      0.3140000      0.3149000      0.4464000
  1 1 1     -16  -18    3 o    9.573000      0.2178000       9.271000 0.3030000       9.876000      0.3130000     -0.6056000      0.4357000
  1 1 1     -16  -18    4 o    2.693000      0.4494000       3.463000 0.5482000       1.923000      0.7122000       1.541000      0.8987000
  1 1 1     -16  -18    5 o    7.439000      0.3289000       7.938000 0.3980000       6.940000      0.5238000      0.9978000      0.6579000
  1 1 1     -16  -18    6 o    4.170000      0.4401000       3.670000 0.6062000       4.669000      0.6383000     -0.9991000      0.8803000
  1 1 1     -16  -18    7 o    10.08000      0.2363000       10.00000 0.3282000       10.16000      0.3401000     -0.1597000      0.4727000
  1 1 1     -16  -18    8 o    8.659000      0.2477000       8.352000 0.3425000       8.966000      0.3578000     -0.6143000      0.4953000
  1 1 1     -16  -18    9 o    4.175000      0.4162000       4.969000 0.4835000       3.382000      0.6775000       1.587000      0.8323000
  1 1 1     -16  -18   10 o    6.515000      0.2915000       6.747000 0.3953000       6.283000      0.4286000      0.4641000      0.5831000
  1 1 1     -16  -18   11 o    8.477000      0.2690000       8.802000 0.3557000       8.152000      0.4038000      0.6499000      0.5381000
  1 1 1     -16  -18   12 o    4.315000      0.3985000       4.583000 0.5033000       4.047000      0.6179000      0.5369000      0.7970000
  1 1 1     -16  -18   13 o    6.415000      0.3253000       6.084000 0.4599000       6.746000      0.4603000     -0.6612000      0.6507000
  1 1 1     -16  -18   14 o    2.438000      0.6050000       2.606000 0.8446000       2.271000      0.8665000      0.3348000       1.210000
  1 1 1     -16  -18   15 o    19.25000      0.3104000       19.25000 0.4400000       19.24000      0.4380000      0.8154000E-02  0.6209000
  1 1 1     -16  -18   16 o    10.94000      0.2691000       11.35000 0.3773000       10.52000      0.3839000      0.8294000      0.5383000
  1 1 1     -16  -18   17 o    10.67000      0.2791000       10.97000 0.3848000       10.38000      0.4043000      0.5884000      0.5581000
  1 1 1     -16  -18   18 o    8.429000      0.3057000       8.763000 0.4139000       8.095000      0.4501000      0.6682000      0.6115000
  1 1 1     -16  -18   19 o    2.235000      0.6118000       2.471000 0.8831000       2.000000      0.8468000      0.4707000       1.224000
  1 1 1     -16  -18   20 o    4.339000      0.5197000       4.576000 0.6511000       4.103000      0.8102000      0.4730000       1.039000
  1 1 1     -16  -18   21 o    8.184000      0.3246000       8.011000 0.4472000       8.357000      0.4706000     -0.3467000      0.6492000
  1 1 1     -16  -18   22 o    4.742000      0.4481000       4.734000 0.5868000       4.751000      0.6772000     -0.1751000E-01  0.8961000
  1 1 1     -16  -18   23 o    8.727000      0.4607000       9.089000 0.7013000       8.364000      0.5976000      0.7257000      0.9214000
  1 1 1     -16  -18   24 f    11.22000      0.3108000       11.30000 0.4435000       11.14000      0.4354000      0.1524000      0.6215000
  1 1 1     -16  -18   25 o    3.280000      0.6706000       2.758000 0.9327000       3.803000      0.9637000      -1.044000       1.341000
  1 1 1     -16  -18   26 o    6.911000      0.6021000       7.224000 0.7436000       6.598000      0.9471000      0.6264000       1.204000
  1 1 1     -16  -18   27 o    4.906000      0.5545000       4.387000 0.8369000       5.425000      0.7277000      -1.039000       1.109000
  1 1 1     -16  -18   28 o    3.662000      0.6944000       3.055000 1.002000       4.270000      0.9620000      -1.215000       1.389000
  1 1 1     -16  -18   29 o    3.938000      0.6043000       3.973000 0.8595000       3.903000      0.8497000      0.7009000E-01   1.209000
  1 1 1     -16  -18   30 o    4.344000      0.5973000       4.552000 0.8265000       4.137000      0.8625000      0.4141000       1.195000
  1 1 1     -16  -18   31 o    2.094000      0.6213000       2.069000 0.8727000       2.118000      0.8846000     -0.4893000E-01   1.243000
  1 1 1     -16  -18   32 o    3.080000      0.7935000       3.765000 1.189000       2.395000       1.051000       1.369000       1.587000
  1 1 1     -16  -17    1 o    9.370000      0.2092000       9.164000 0.2905000       9.577000      0.3011000     -0.4130000      0.4184000
  1 1 1     -16  -17    2 o    2.282000      0.5950000       2.025000 0.8478000       2.538000      0.8352000     -0.5139000       1.190000
  1 1 1     -16  -17    3 o    4.885000      0.4544000       5.382000 0.6685000       4.388000      0.6157000      0.9940000      0.9089000
  1 1 1     -16  -17    4 o    7.366000      0.2302000       7.380000 0.3277000       7.353000      0.3233000      0.2636000E-01  0.4604000
  1 1 1     -16  -17    5 o    7.097000      0.2395000       6.962000 0.3348000       7.231000      0.3426000     -0.2691000      0.4790000
  1 1 1     -16  -17    6 o    4.591000      0.3398000       5.161000 0.4726000       4.021000      0.4884000       1.140000      0.6796000
  1 1 1     -16  -17    7 o    10.11000      0.3179000       10.16000 0.4247000       10.05000      0.4730000      0.1159000      0.6357000
  1 1 1     -16  -17    8 o    8.848000      0.3226000       8.815000 0.4189000       8.881000      0.4908000     -0.6581000E-01  0.6452000
  1 1 1     -16  -17    9 o    3.092000      0.4922000       2.089000 0.7655000       4.094000      0.6188000      -2.005000      0.9843000
  1 1 1     -16  -17   10 o    1.805000      0.5196000       1.674000 0.7118000       1.935000      0.7572000     -0.2616000       1.039000
  1 1 1     -16  -17   11 o    5.383000      0.3421000       5.873000 0.4401000       4.893000      0.5238000      0.9801000      0.6841000
  1 1 1     -16  -17   12 f    3.952000      0.4567000       4.550000 0.5366000       3.354000      0.7393000       1.196000      0.9135000
  1 1 1     -16  -17   13 o    18.91000      0.3033000       19.00000 0.4288000       18.82000      0.4290000      0.1836000      0.6066000
  1 1 1     -16  -17   14 o    15.18000      0.2724000       15.30000 0.3858000       15.07000      0.3848000      0.2325000      0.5449000
  1 1 1     -16  -17   15 o    13.31000      0.2689000       13.68000 0.3801000       12.95000      0.3806000      0.7289000      0.5379000
  1 1 1     -16  -17   16 o    8.543000      0.2776000       8.396000 0.3870000       8.691000      0.3981000     -0.2957000      0.5552000
  1 1 1     -16  -17   17 o    11.11000      0.2708000       11.30000 0.3761000       10.91000      0.3896000      0.3857000      0.5415000
  1 1 1     -16  -17   18 o    9.628000      0.2875000       9.901000 0.3935000       9.356000      0.4192000      0.5447000      0.5749000
  1 1 1     -16  -17   19 o    3.089000      0.6302000       2.816000 0.8918000       3.362000      0.8908000     -0.5457000       1.260000
  1 1 1     -16  -17   20 o    6.013000      0.3999000       6.271000 0.5320000       5.755000      0.5972000      0.5156000      0.7998000
  1 1 1     -16  -17   21 o    7.884000      0.3345000       8.032000 0.4560000       7.737000      0.4896000      0.2948000      0.6691000
  1 1 1     -16  -17   22 o    7.271000      0.3584000       7.524000 0.4957000       7.018000      0.5178000      0.5064000      0.7168000
  1 1 1     -16  -17   23 o    3.675000      0.7531000       3.161000 1.165000       4.189000      0.9554000      -1.028000       1.506000
  1 1 1     -16  -17   24 o    9.913000      0.4782000       9.763000 0.7504000       10.06000      0.5930000     -0.2992000      0.9564000
  1 1 1     -16  -17   25 o    2.454000      0.6826000       2.495000 0.9798000       2.413000      0.9507000      0.8142000E-01   1.365000
  1 1 1     -16  -17   26 f    6.312000      0.4325000       6.544000 0.6073000       6.081000      0.6159000      0.4635000      0.8650000
  1 1 1     -16  -17   27 o    6.625000      0.6152000       6.920000 0.7284000       6.330000      0.9915000      0.5907000       1.230000
  1 1 1     -16  -17   28 o    5.576000      0.4914000       5.581000 0.6892000       5.571000      0.7008000      0.9593000E-02  0.9829000
  1 1 1     -16  -17   29 o    2.033000      0.6130000       2.432000 0.9521000       1.635000      0.7722000      0.7975000       1.226000
  1 1 1     -16  -17   30 f    5.997000      0.4592000       5.956000 0.6844000       6.038000      0.6124000     -0.8187000E-01  0.9184000
  1 1 1     -16  -17   31 f    3.797000      0.6405000       4.302000 0.8622000       3.293000      0.9474000       1.009000       1.281000
  1 1 1     -16  -17   32 o    3.543000      0.6492000       3.404000 0.9437000       3.682000      0.8918000     -0.2775000       1.298000
  1 1 1     -16  -16    1 o    12.08000      0.2185000       12.26000 0.3105000       11.89000      0.3074000      0.3699000      0.4370000
  1 1 1     -16  -16    2 o    4.622000      0.2755000       4.612000 0.3873000       4.632000      0.3919000     -0.2027000E-01  0.5510000
  1 1 1     -16  -16    3 o    6.357000      0.2423000       6.365000 0.3471000       6.350000      0.3383000      0.1531000E-01  0.4847000
  1 1 1     -16  -16    4 o    2.501000      0.6150000       2.518000 0.9348000       2.484000      0.7995000      0.3373000E-01   1.230000
  1 1 1     -16  -16    5 o    9.049000      0.3265000       8.806000 0.4784000       9.293000      0.4445000     -0.4874000      0.6530000
  1 1 1     -16  -16    6 o    2.237000      0.5117000       2.366000 0.7051000       2.108000      0.7418000      0.2578000       1.023000
  1 1 1     -16  -16    7 o    11.08000      0.2314000       11.13000 0.3251000       11.02000      0.3292000      0.1131000      0.4627000
  1 1 1     -16  -16    8 o    2.478000      0.5854000       2.653000 0.7997000       2.303000      0.8550000      0.3501000       1.171000
  1 1 1     -16  -16    9 o    9.751000      0.3156000       9.443000 0.4229000       10.06000      0.4687000     -0.6158000      0.6313000
  1 1 1     -16  -16   10 o    9.635000      0.2473000       9.842000 0.3416000       9.428000      0.3578000      0.4141000      0.4947000
  1 1 1     -16  -16   11 o    6.439000      0.2880000       6.274000 0.4122000       6.605000      0.4023000     -0.3306000      0.5760000
  1 1 1     -16  -16   12 o    8.327000      0.2560000       8.554000 0.3550000       8.100000      0.3690000      0.4535000      0.5120000
  1 1 1     -16  -16   13 o    10.97000      0.2550000       11.03000 0.3651000       10.92000      0.3560000      0.1102000      0.5099000
  1 1 1     -16  -16   14 o    11.07000      0.2646000       11.21000 0.3705000       10.94000      0.3778000      0.2626000      0.5291000
  1 1 1     -16  -16   15 o    17.15000      0.2915000       17.43000 0.4133000       16.86000      0.4112000      0.5704000      0.5830000
  1 1 1     -16  -16   16 o    5.379000      0.3769000       5.505000 0.5262000       5.253000      0.5398000      0.2516000      0.7539000
  1 1 1     -16  -16   17 o    12.33000      0.2627000       12.38000 0.3705000       12.28000      0.3724000      0.1002000      0.5253000
  1 1 1     -16  -16   18 o    11.55000      0.2666000       11.38000 0.3763000       11.71000      0.3779000     -0.3270000      0.5333000
  1 1 1     -16  -16   19 o    5.580000      0.3814000       5.477000 0.5316000       5.684000      0.5471000     -0.2063000      0.7628000
  1 1 1     -16  -16   20 o    6.160000      0.3613000       5.986000 0.5095000       6.334000      0.5124000     -0.3475000      0.7226000
  1 1 1     -16  -16   21 o    4.052000      0.5558000       4.753000 0.6416000       3.351000      0.9077000       1.402000       1.112000
  1 1 1     -16  -16   22 o    8.797000      0.3256000       9.125000 0.4419000       8.469000      0.4784000      0.6558000      0.6512000
  1 1 1     -16  -16   23 o    5.898000      0.4311000       5.662000 0.6185000       6.133000      0.6008000     -0.4706000      0.8622000
  1 1 1     -16  -16   24 o    8.398000      0.5151000       8.013000 0.8275000       8.783000      0.6135000     -0.7703000       1.030000
  1 1 1     -16  -16   25 o    6.945000      0.4334000       6.946000 0.5341000       6.944000      0.6826000      0.2678000E-02  0.8667000
  1 1 1     -16  -16   26 o    7.248000      0.3960000       7.574000 0.5483000       6.922000      0.5715000      0.6516000      0.7920000
  1 1 1     -16  -16   27 o    3.299000      0.7735000       3.881000 1.084000       2.717000       1.104000       1.164000       1.547000
  1 1 1     -16  -16   28 o    3.560000      0.8062000       2.484000 1.031000       4.636000       1.240000      -2.152000       1.612000
  1 1 1     -16  -16   29 o    3.794000      0.6518000       3.485000 0.9663000       4.104000      0.8749000     -0.6189000       1.304000
  1 1 1     -16  -16   30 o    2.529000      0.6624000       2.229000 0.9344000       2.829000      0.9392000     -0.6004000       1.325000
  1 1 1     -16  -16   31 o    8.679000      0.3462000       9.443000 0.4863000       7.915000      0.4929000       1.528000      0.6924000
  1 1 1     -16  -16   32 o    5.722000      0.4433000       5.399000 0.6653000       6.045000      0.5861000     -0.6456000      0.8866000
  1 1 1     -16  -15    1 o    9.239000      0.2066000       9.307000 0.2933000       9.171000      0.2910000      0.1356000      0.4132000
  1 1 1     -16  -15    2 o    6.703000      0.2288000       6.947000 0.3220000       6.459000      0.3251000      0.4884000      0.4576000
  1 1 1     -16  -15    3 o    5.926000      0.3240000       5.309000 0.5568000       6.543000      0.3314000      -1.234000      0.6480000
  1 1 1     -16  -15    4 o    2.918000      0.4605000       3.049000 0.6155000       2.788000      0.6850000      0.2604000      0.9209000
  1 1 1     -16  -15    5 o    8.819000      0.3353000       8.293000 0.5139000       9.345000      0.4307000      -1.052000      0.6705000
  1 1 1     -16  -15    6 o    3.181000      0.6049000       2.779000 0.9266000       3.582000      0.7779000     -0.8026000       1.210000
  1 1 1     -16  -15    7 o    5.440000      0.2840000       5.610000 0.3804000       5.270000      0.4218000      0.3398000      0.5680000
  1 1 1     -16  -15    8 o    11.87000      0.2370000       11.66000 0.3324000       12.07000      0.3379000     -0.4107000      0.4740000
  1 1 1     -16  -15    9 o    10.76000      0.3266000       10.58000 0.4318000       10.93000      0.4901000     -0.3554000      0.6532000
  1 1 1     -16  -15   10 o    8.171000      0.3443000       8.128000 0.4459000       8.214000      0.5248000     -0.8526000E-01  0.6886000
  1 1 1     -16  -15   11 o    12.49000      0.2460000       12.20000 0.3425000       12.78000      0.3532000     -0.5797000      0.4920000
  1 1 1     -16  -15   12 o    13.40000      0.2541000       13.43000 0.3591000       13.37000      0.3595000      0.6477000E-01  0.5081000
  1 1 1     -16  -15   13 o    14.16000      0.2622000       14.24000 0.3745000       14.07000      0.3672000      0.1706000      0.5245000
  1 1 1     -16  -15   14 o    6.273000      0.3189000       6.338000 0.4344000       6.207000      0.4669000      0.1306000      0.6377000
  1 1 1     -16  -15   15 o    9.284000      0.2666000       9.101000 0.3732000       9.466000      0.3808000     -0.3648000      0.5332000
  1 1 1     -16  -15   16 o    6.739000      0.3094000       6.737000 0.4232000       6.742000      0.4515000     -0.4335000E-02  0.6188000
  1 1 1     -16  -15   17 o    11.78000      0.2637000       11.63000 0.3676000       11.93000      0.3781000     -0.2942000      0.5273000
  1 1 1     -16  -15   18 o    4.682000      0.4346000       4.717000 0.5920000       4.646000      0.6366000      0.7174000E-01  0.8693000
  1 1 1     -16  -15   19 o    10.90000      0.2739000       10.65000 0.3860000       11.16000      0.3887000     -0.5046000      0.5478000
  1 1 1     -16  -15   20 o    10.96000      0.2841000       11.01000 0.4036000       10.90000      0.3998000      0.1136000      0.5681000
  1 1 1     -16  -15   21 o    4.117000      0.5368000       4.820000 0.6106000       3.413000      0.8831000       1.407000       1.074000
  1 1 1     -16  -15   22 o    4.854000      0.4894000       4.817000 0.6770000       4.891000      0.7071000     -0.7431000E-01  0.9789000
  1 1 1     -16  -15   23 o    8.477000      0.3249000       8.611000 0.4489000       8.344000      0.4699000      0.2663000      0.6499000
  1 1 1     -16  -15   24 o    7.333000      0.5236000       7.333000 0.5236000                  ?              ?              ?              ?
  1 1 1     -16  -15   25 o    3.957000      0.7596000       3.259000 1.223000       4.656000      0.9014000      -1.397000       1.519000
  1 1 1     -16  -15   26 o    6.797000      0.5593000                  ?       ?   6.797000      0.5593000                  ?              ?
  1 1 1     -16  -15   27 f    5.692000      0.4882000       6.052000 0.6539000       5.332000      0.7251000      0.7201000      0.9764000
  1 1 1     -16  -15   28 o    7.469000      0.5340000       7.328000 0.7040000       7.610000      0.8032000     -0.2819000       1.068000
  1 1 1     -16  -15   29 f    7.235000      0.3865000       6.817000 0.5704000       7.654000      0.5216000     -0.8368000      0.7729000
  1 1 1     -16  -15   30 o    3.427000      0.6667000       2.829000 1.011000       4.024000      0.8691000      -1.194000       1.333000
  1 1 1     -16  -15   31 o    4.354000      0.5844000       5.434000 0.7042000       3.274000      0.9327000       2.160000       1.169000
  1 1 1     -16  -15   32 o    4.703000      0.5671000       5.813000 0.6170000       3.594000      0.9516000       2.219000       1.134000
  1 1 1     -16  -15   33 f    3.003000      0.6792000       3.133000 0.9538000       2.873000      0.9672000      0.2602000       1.358000
  1 1 1     -16  -14    1 o    12.41000      0.2200000       12.47000 0.3113000       12.36000      0.3111000      0.1022000      0.4401000
  1 1 1     -16  -14    2 o    13.96000      0.2347000       13.97000 0.3317000       13.95000      0.3321000      0.2674000E-01  0.4694000
  1 1 1     -16  -14    3 o    8.079000      0.2135000       8.127000 0.3049000       8.032000      0.2990000      0.9566000E-01  0.4271000
  1 1 1     -16  -14    4 o    3.237000      0.4076000       3.223000 0.5886000       3.250000      0.5638000     -0.2693000E-01  0.8151000
  1 1 1     -16  -14    5 o    4.813000      0.2815000       5.087000 0.3622000       4.539000      0.4309000      0.5476000      0.5629000
  1 1 1     -16  -14    6 o    6.946000      0.3655000       6.933000 0.5424000       6.960000      0.4900000     -0.2693000E-01  0.7310000
  1 1 1     -16  -14    7 o    4.743000      0.4777000       5.286000 0.6338000       4.201000      0.7150000       1.085000      0.9555000
  1 1 1     -16  -14    8 o    13.25000      0.2432000       13.09000 0.3414000       13.41000      0.3464000     -0.3186000      0.4863000
  1 1 1     -16  -14    9 o    14.36000      0.2502000       13.87000 0.3451000       14.85000      0.3623000     -0.9808000      0.5004000
  1 1 1     -16  -14   10 o    10.07000      0.3251000       9.443000 0.4264000       10.69000      0.4908000      -1.250000      0.6502000
  1 1 1     -16  -14   11 o    3.987000      0.5393000       3.673000 0.7534000       4.302000      0.7718000     -0.6285000       1.079000
  1 1 1     -16  -14   12 o    5.853000      0.3118000       5.784000 0.4493000       5.922000      0.4325000     -0.1383000      0.6237000
  1 1 1     -16  -14   13 o    11.52000      0.2496000       11.79000 0.3569000       11.25000      0.3491000      0.5405000      0.4993000
  1 1 1     -16  -14   14 o    5.549000      0.3275000       5.696000 0.4582000       5.403000      0.4682000      0.2932000      0.6551000
  1 1 1     -16  -14   15 o    6.082000      0.3239000       5.830000 0.4533000       6.335000      0.4627000     -0.5052000      0.6477000
  1 1 1     -16  -14   16 o    8.755000      0.2723000       8.677000 0.3797000       8.833000      0.3905000     -0.1553000      0.5447000
  1 1 1     -16  -14   17 o    10.36000      0.2703000       10.60000 0.3740000       10.12000      0.3905000      0.4760000      0.5407000
  1 1 1     -16  -14   18 o    5.599000      0.3623000       5.510000 0.5115000       5.689000      0.5131000     -0.1793000      0.7245000
  1 1 1     -16  -14   19 o    6.382000      0.3379000       6.492000 0.4564000       6.271000      0.4983000      0.2218000      0.6757000
  1 1 1     -16  -14   20 o    14.03000      0.2814000       13.93000 0.3983000       14.12000      0.3976000     -0.1897000      0.5628000
  1 1 1     -16  -14   21 o    6.014000      0.3828000       5.498000 0.5669000       6.530000      0.5146000      -1.033000      0.7656000
  1 1 1     -16  -14   22 o    12.27000      0.2834000       11.93000 0.3962000       12.62000      0.4053000     -0.6857000      0.5668000
  1 1 1     -16  -14   23 o    3.939000      0.5925000       3.907000 0.8256000       3.972000      0.8500000     -0.6563000E-01   1.185000
  1 1 1     -16  -14   24 o    6.557000      0.5308000       7.651000 0.5065000       5.463000      0.9330000       2.187000       1.062000
  1 1 1     -16  -14   25 o    4.012000      0.7324000       3.086000 1.165000       4.939000      0.8881000      -1.853000       1.465000
  1 1 1     -16  -14   26 o    5.193000      0.9284000                  ?       ?   5.193000      0.9284000                  ?              ?
  1 1 1     -16  -14   27 o    5.601000      0.4735000       5.013000 0.7424000       6.189000      0.5881000      -1.176000      0.9471000
  1 1 1     -16  -14   28 o    6.639000      0.5492000       6.657000 0.6925000       6.622000      0.8526000      0.3435000E-01   1.098000
  1 1 1     -16  -14   29 o    5.680000      0.6786000       5.030000 0.9545000       6.330000      0.9649000      -1.301000       1.357000
  1 1 1     -16  -14   30 o    3.280000      0.6837000       3.474000 0.9551000       3.087000      0.9787000      0.3870000       1.367000
  1 1 1     -16  -14   31 o    4.453000      0.5861000       5.138000 0.7283000       3.768000      0.9185000       1.370000       1.172000
  1 1 1     -16  -14   32 o    2.779000      0.6077000       3.597000 0.8689000       1.961000      0.8498000       1.636000       1.215000
  1 1 1     -16  -14   33 o    2.732000      0.6791000       2.632000 0.9534000       2.831000      0.9674000     -0.1994000       1.358000
  1 1 1     -16  -13    1 o    7.709000      0.2074000       7.832000 0.2928000       7.586000      0.2939000      0.2452000      0.4149000
  1 1 1     -16  -13    2 o    1.147000      0.3784000       1.171000 0.5411000       1.122000      0.5292000      0.4910000E-01  0.7568000
  1 1 1     -16  -13    3 o    5.059000      0.2624000       5.156000 0.3774000       4.961000      0.3647000      0.1947000      0.5248000
  1 1 1     -16  -13    4 o    3.779000      0.3573000       4.325000 0.4063000       3.233000      0.5877000       1.092000      0.7145000
  1 1 1     -16  -13    5 o    10.16000      0.2208000       9.864000 0.3121000       10.46000      0.3125000     -0.6005000      0.4416000
  1 1 1     -16  -13    6 o    6.162000      0.2466000       6.162000 0.3564000       6.163000      0.3409000     -0.4587000E-03  0.4931000
  1 1 1     -16  -13    7 o    9.133000      0.3324000       8.329000 0.4927000       9.937000      0.4463000      -1.608000      0.6648000
  1 1 1     -16  -13    8 o    11.17000      0.3354000       10.86000 0.4837000       11.47000      0.4647000     -0.6098000      0.6708000
  1 1 1     -16  -13    9 o    10.93000      0.2348000       11.19000 0.3289000       10.68000      0.3352000      0.5139000      0.4696000
  1 1 1     -16  -13   10 o    6.930000      0.2515000       7.178000 0.3447000       6.682000      0.3663000      0.4964000      0.5030000
  1 1 1     -16  -13   11 o    7.598000      0.3493000       7.218000 0.4834000       7.977000      0.5045000     -0.7587000      0.6987000
  1 1 1     -16  -13   12 o    5.418000      0.4029000       5.658000 0.5492000       5.177000      0.5896000      0.4814000      0.8057000
  1 1 1     -16  -13   13 o    5.707000      0.3198000       5.830000 0.4464000       5.583000      0.4580000      0.2474000      0.6396000
  1 1 1     -16  -13   14 o    6.513000      0.3518000       6.170000 0.5720000       6.855000      0.4097000     -0.6844000      0.7036000
  1 1 1     -16  -13   15 o    15.65000      0.2738000       15.34000 0.3827000       15.95000      0.3917000     -0.6116000      0.5476000
  1 1 1     -16  -13   16 o    5.371000      0.3791000       5.600000 0.4950000       5.142000      0.5744000      0.4578000      0.7583000
  1 1 1     -16  -13   17 o    9.100000      0.2805000       9.214000 0.3859000       8.985000      0.4072000      0.2289000      0.5611000
  1 1 1     -16  -13   18 o    2.697000      0.4962000       3.818000 0.6847000       1.576000      0.7185000       2.242000      0.9925000
  1 1 1     -16  -13   19 o    2.118000      0.5902000       2.035000 0.8238000       2.202000      0.8454000     -0.1667000       1.180000
  1 1 1     -16  -13   20 o    12.99000      0.2753000       13.24000 0.3913000       12.74000      0.3874000      0.4943000      0.5506000
  1 1 1     -16  -13   21 o    3.688000      0.5651000       3.606000 0.7955000       3.770000      0.8029000     -0.1646000       1.130000
  1 1 1     -16  -13   22 o    4.037000      0.5248000       4.110000 0.7288000       3.963000      0.7554000      0.1470000       1.050000
  1 1 1     -16  -13   23 o    3.315000      0.5926000       2.467000 0.8908000       4.164000      0.7818000      -1.696000       1.185000
  1 1 1     -16  -13   24 o    5.191000      0.4758000       6.425000 0.5279000       3.958000      0.7917000       2.466000      0.9516000
  1 1 1     -16  -13   25 o    4.652000      0.5242000       4.904000 0.6861000       4.401000      0.7926000      0.5033000       1.048000
  1 1 1     -16  -13   26 o    4.696000      0.7371000       4.155000 1.195000       5.236000      0.8636000      -1.080000       1.474000
  1 1 1     -16  -13   27 o    6.000000      0.4398000       6.579000 0.5796000       5.421000      0.6617000       1.158000      0.8796000
  1 1 1     -16  -13   28 o    4.203000      0.5885000       4.609000 0.7601000       3.798000      0.8987000      0.8111000       1.177000
  1 1 1     -16  -13   29 o    3.288000      0.8321000       2.912000 1.111000       3.664000       1.239000     -0.7527000       1.664000
  1 1 1     -16  -13   30 o    4.347000      0.6016000       4.062000 0.9002000       4.633000      0.7983000     -0.5714000       1.203000
  1 1 1     -16  -13   31 o    5.761000      0.4405000       5.983000 0.6179000       5.539000      0.6279000      0.4434000      0.8809000
  1 1 1     -16  -13   32 o    3.993000      0.6014000       3.790000 0.8809000       4.195000      0.8188000     -0.4042000       1.203000
  1 1 1     -16  -13   33 o    2.041000      0.6143000       2.008000 0.8589000       2.073000      0.8786000     -0.6502000E-01   1.229000
  1 1 1     -16  -12    1 o    5.436000      0.2403000       5.076000 0.3440000       5.795000      0.3358000     -0.7191000      0.4807000
  1 1 1     -16  -12    2 o    1.742000      0.4527000       1.488000 0.6069000       1.995000      0.6718000     -0.5074000      0.9054000
  1 1 1     -16  -12    3 o    6.338000      0.2289000       6.383000 0.3239000       6.293000      0.3236000      0.8962000E-01  0.4579000
  1 1 1     -16  -12    4 o    2.787000      0.4234000       2.786000 0.5864000       2.789000      0.6108000     -0.2988000E-02  0.8468000
  1 1 1     -16  -12    5 o    7.053000      0.2321000       7.077000 0.3262000       7.029000      0.3304000      0.4739000E-01  0.4643000
  1 1 1     -16  -12    6 o    10.14000      0.2213000       10.30000 0.3117000       9.983000      0.3142000      0.3186000      0.4426000
  1 1 1     -16  -12    7 o    16.02000      0.2597000       16.18000 0.3689000       15.86000      0.3656000      0.3230000      0.5194000
  1 1 1     -16  -12    8 o    10.66000      0.3218000       10.56000 0.4641000       10.76000      0.4460000     -0.1931000      0.6437000
  1 1 1     -16  -12    9 o    7.610000      0.3501000       7.497000 0.5102000       7.724000      0.4795000     -0.2273000      0.7002000
  1 1 1     -16  -12   10 o    3.871000      0.3898000       3.838000 0.5166000       3.904000      0.5838000     -0.6516000E-01  0.7796000
  1 1 1     -16  -12   11 o    5.250000      0.3239000       5.472000 0.4463000       5.028000      0.4695000      0.4441000      0.6478000
  1 1 1     -16  -12   12 o    9.979000      0.3290000       10.10000 0.4540000       9.854000      0.4762000      0.2506000      0.6580000
  1 1 1     -16  -12   13 o    7.955000      0.2602000       7.652000 0.3799000       8.258000      0.3557000     -0.6055000      0.5204000
  1 1 1     -16  -12   14 o    6.422000      0.2850000       6.631000 0.3915000       6.214000      0.4143000      0.4172000      0.5700000
  1 1 1     -16  -12   15 o    12.00000      0.2526000       11.99000 0.3589000       12.02000      0.3556000     -0.3310000E-01  0.5053000
  1 1 1     -16  -12   16 o    7.942000      0.2829000       7.943000 0.3887000       7.941000      0.4113000      0.2265000E-02  0.5659000
  1 1 1     -16  -12   17 o    11.25000      0.2670000       11.09000 0.3756000       11.41000      0.3794000     -0.3175000      0.5339000
  1 1 1     -16  -12   18 o    11.43000      0.2682000       11.14000 0.3719000       11.71000      0.3865000     -0.5732000      0.5364000
  1 1 1     -16  -12   19 o    7.901000      0.2965000       7.376000 0.4283000       8.426000      0.4101000      -1.049000      0.5930000
  1 1 1     -16  -12   20 o    11.39000      0.2710000       11.27000 0.3815000       11.52000      0.3849000     -0.2494000      0.5419000
  1 1 1     -16  -12   21 o    5.468000      0.3945000       5.149000 0.5743000       5.786000      0.5412000     -0.6368000      0.7891000
  1 1 1     -16  -12   22 o    5.806000      0.4062000       5.280000 0.6097000       6.332000      0.5371000      -1.051000      0.8125000
  1 1 1     -16  -12   23 o    9.846000      0.2933000       9.630000 0.4111000       10.06000      0.4184000     -0.4318000      0.5866000
  1 1 1     -16  -12   24 o    4.231000      0.5542000       4.625000 0.7277000       3.837000      0.8362000      0.7875000       1.108000
  1 1 1     -16  -12   25 o    11.52000      0.3038000       11.51000 0.4233000       11.53000      0.4360000     -0.1283000E-01  0.6077000
  1 1 1     -16  -12   26 o    2.819000      0.7479000       2.563000 1.086000       3.076000       1.029000     -0.5130000       1.496000
  1 1 1     -16  -12   27 o    3.398000      0.6775000       2.967000 1.012000       3.829000      0.9013000     -0.8629000       1.355000
  1 1 1     -16  -12   28 o    4.164000      0.6202000       3.298000 0.9923000       5.030000      0.7444000      -1.732000       1.240000
  1 1 1     -16  -12   29 o    7.958000      0.5377000       8.277000 0.7007000       7.639000      0.8157000      0.6380000       1.075000
  1 1 1     -16  -12   30 o    2.641000      0.6774000       2.954000 0.9814000       2.328000      0.9340000      0.6256000       1.355000
  1 1 1     -16  -12   31 o    5.036000      0.5103000       4.870000 0.7551000       5.203000      0.6867000     -0.3331000       1.021000
  1 1 1     -16  -12   32 o    3.667000      0.6534000       3.010000 0.9895000       4.324000      0.8537000      -1.313000       1.307000
  1 1 1     -16  -12   33 o    2.556000      0.6468000       2.968000 0.9399000       2.144000      0.8888000      0.8238000       1.294000
  1 1 1     -16  -11    1 o    8.910000      0.1999000       8.709000 0.2787000       9.110000      0.2866000     -0.4008000      0.3997000
  1 1 1     -16  -11    2 o    2.389000      0.4485000       2.543000 0.6299000       2.235000      0.6387000      0.3080000      0.8971000
  1 1 1     -16  -11    3 f    10.68000      0.2109000       11.01000 0.3028000       10.34000      0.2937000      0.6629000      0.4218000
  1 1 1     -16  -11    4 o    2.267000      0.4643000       2.564000 0.6367000       1.969000      0.6759000      0.5954000      0.9285000
  1 1 1     -16  -11    5 o    2.387000      0.4749000       2.175000 0.6919000       2.600000      0.6507000     -0.4245000      0.9498000
  1 1 1     -16  -11    6 o    3.291000      0.4122000       3.111000 0.6179000       3.472000      0.5457000     -0.3618000      0.8244000
  1 1 1     -16  -11    7 o    16.71000      0.2661000       16.89000 0.3780000       16.53000      0.3746000      0.3519000      0.5321000
  1 1 1     -16  -11    8 o    4.185000      0.3359000       4.080000 0.4903000       4.290000      0.4592000     -0.2097000      0.6718000
  1 1 1     -16  -11    9 o    4.688000      0.4761000       5.325000 0.6351000       4.051000      0.7096000       1.274000      0.9523000
  1 1 1     -16  -11   10 o    4.261000      0.3636000       4.438000 0.4759000       4.084000      0.5498000      0.3547000      0.7272000
  1 1 1     -16  -11   11 o    3.927000      0.3836000       3.734000 0.5639000       4.121000      0.5202000     -0.3875000      0.7672000
  1 1 1     -16  -11   12 o    5.756000      0.3846000       5.549000 0.5478000       5.964000      0.5401000     -0.4151000      0.7692000
  1 1 1     -16  -11   13 f    4.695000      0.4427000       4.035000 0.6696000       5.355000      0.5794000      -1.320000      0.8855000
  1 1 1     -16  -11   14 o    13.22000      0.2566000       13.40000 0.3675000       13.03000      0.3582000      0.3768000      0.5132000
  1 1 1     -16  -11   15 o    13.58000      0.2597000       14.12000 0.3697000       13.03000      0.3648000       1.092000      0.5193000
  1 1 1     -16  -11   16 o    3.663000      0.4712000       3.739000 0.6461000       3.587000      0.6862000      0.1522000      0.9425000
  1 1 1     -16  -11   17 o    11.69000      0.2598000       11.80000 0.3647000       11.59000      0.3700000      0.2183000      0.5195000
  1 1 1     -16  -11   18 o    6.820000      0.3146000       7.208000 0.4098000       6.433000      0.4773000      0.7754000      0.6291000
  1 1 1     -16  -11   19 o    8.096000      0.2930000       7.674000 0.4217000       8.518000      0.4069000     -0.8441000      0.5860000
  1 1 1     -16  -11   20 o    13.63000      0.2771000       13.94000 0.3918000       13.33000      0.3919000      0.6086000      0.5542000
  1 1 1     -16  -11   21 o    2.271000      0.5811000       1.760000 0.7654000       2.783000      0.8745000      -1.023000       1.162000
  1 1 1     -16  -11   22 o    13.34000      0.2805000       13.52000 0.3955000       13.15000      0.3977000      0.3728000      0.5609000
  1 1 1     -16  -11   23 o    13.10000      0.2856000       12.56000 0.4030000       13.63000      0.4048000      -1.070000      0.5712000
  1 1 1     -16  -11   24 o    5.295000      0.4324000       4.781000 0.6708000       5.809000      0.5459000      -1.028000      0.8649000
  1 1 1     -16  -11   25 o    1.767000      0.7997000       1.767000 0.7997000                  ?              ?              ?              ?
  1 1 1     -16  -11   26 o    5.396000      0.6540000       5.222000 1.040000       5.569000      0.7934000     -0.3470000       1.308000
  1 1 1     -16  -11   27 o    7.283000      0.5165000                  ?       ?   7.283000      0.5165000                  ?              ?
  1 1 1     -16  -11   28 o    4.441000      0.5706000       4.306000 0.8448000       4.576000      0.7674000     -0.2700000       1.141000
  1 1 1     -16  -11   29 o    5.233000      0.7436000       5.799000 0.8907000       4.666000       1.191000       1.133000       1.487000
  1 1 1     -16  -11   30 o    2.088000      0.6174000       1.560000 0.7469000       2.617000      0.9832000      -1.057000       1.235000
  1 1 1     -16  -11   31 o    5.185000      0.5048000       4.974000 0.7450000       5.395000      0.6813000     -0.4212000       1.010000
  1 1 1     -16  -11   32 o    2.930000      0.6792000       2.792000 0.9822000       3.069000      0.9384000     -0.2778000       1.358000
  1 1 1     -16  -11   33 o    2.241000      0.6375000       1.977000 0.8600000       2.504000      0.9414000     -0.5262000       1.275000
  1 1 1     -16  -11   34 o    3.047000      0.6511000       3.476000 0.9078000       2.618000      0.9336000      0.8584000       1.302000
  1 1 1     -16  -10    1 o    1.781000      0.4189000       2.264000 0.6129000       1.298000      0.5713000      0.9657000      0.8379000
  1 1 1     -16  -10    2 o    7.811000      0.2036000       7.872000 0.2867000       7.750000      0.2893000      0.1213000      0.4073000
  1 1 1     -16  -10    3 o    7.027000      0.2128000       7.109000 0.3021000       6.945000      0.2997000      0.1643000      0.4256000
  1 1 1     -16  -10    4 o    13.72000      0.2309000       13.93000 0.3308000       13.50000      0.3222000      0.4341000      0.4618000
  1 1 1     -16  -10    5 o    1.610000      0.4524000       1.866000 0.6785000       1.354000      0.5985000      0.5128000      0.9048000
  1 1 1     -16  -10    6 o    8.795000      0.2190000       8.690000 0.3094000       8.899000      0.3099000     -0.2098000      0.4379000
  1 1 1     -16  -10    7 o    1.936000      0.4656000       1.447000 0.6241000       2.424000      0.6911000     -0.9768000      0.9312000
  1 1 1     -16  -10    8 o    11.97000      0.2292000       11.61000 0.3210000       12.33000      0.3273000     -0.7207000      0.4585000
  1 1 1     -16  -10    9 o    6.108000      0.3825000       6.615000 0.5402000       5.602000      0.5415000       1.013000      0.7649000
  1 1 1     -16  -10   10 o    12.17000      0.3373000       12.48000 0.4837000       11.86000      0.4703000      0.6240000      0.6746000
  1 1 1     -16  -10   11 o    7.636000      0.2473000       7.577000 0.3439000       7.696000      0.3556000     -0.1193000      0.4947000
  1 1 1     -16  -10   12 o    9.690000      0.2340000       9.851000 0.3307000       9.529000      0.3312000      0.3220000      0.4681000
  1 1 1     -16  -10   13 o    8.352000      0.3310000       7.952000 0.4678000       8.752000      0.4684000     -0.7997000      0.6620000
  1 1 1     -16  -10   14 o    6.173000      0.3046000       6.238000 0.4180000       6.108000      0.4432000      0.1293000      0.6093000
  1 1 1     -16  -10   15 o    12.66000      0.2543000       12.13000 0.3554000       13.20000      0.3640000      -1.069000      0.5087000
  1 1 1     -16  -10   16 o    10.40000      0.2547000       10.37000 0.3569000       10.43000      0.3635000     -0.6100000E-01  0.5094000
  1 1 1     -16  -10   17 o    2.347000      0.5946000       2.397000 0.8346000       2.298000      0.8472000      0.9936000E-01   1.189000
  1 1 1     -16  -10   18 o    3.378000      0.5428000       3.216000 0.7789000       3.540000      0.7563000     -0.3236000       1.086000
  1 1 1     -16  -10   19 o    6.570000      0.3271000       7.129000 0.4265000       6.011000      0.4961000       1.118000      0.6542000
  1 1 1     -16  -10   20 o    13.33000      0.2741000       13.14000 0.3877000       13.53000      0.3875000     -0.3889000      0.5481000
  1 1 1     -16  -10   21 o    11.89000      0.3430000       11.78000 0.5672000       12.01000      0.3857000     -0.2369000      0.6859000
  1 1 1     -16  -10   22 o    14.98000      0.2877000       15.30000 0.4087000       14.66000      0.4050000      0.6330000      0.5753000
  1 1 1     -16  -10   23 o    6.101000      0.3744000       6.569000 0.4948000       5.634000      0.5620000      0.9352000      0.7488000
  1 1 1     -16  -10   24 o    2.044000      0.6024000       2.060000 0.8594000       2.029000      0.8443000      0.3122000E-01   1.205000
  1 1 1     -16  -10   25 o    9.950000      0.4411000       9.950000 0.4411000                  ?              ?              ?              ?
  1 1 1     -16  -10   26 f    4.171000      0.7610000       4.118000 1.179000       4.224000      0.9630000     -0.1065000       1.522000
  1 1 1     -16  -10   27 o    6.439000      0.7415000                  ?       ?   6.439000      0.7415000                  ?              ?
  1 1 1     -16  -10   28 o    2.828000      0.6891000       2.899000 0.9791000       2.758000      0.9699000      0.1414000       1.378000
  1 1 1     -16  -10   29 o    2.838000      0.7773000       2.045000 0.9466000       3.630000       1.233000      -1.585000       1.555000
  1 1 1     -16  -10   30 o    2.997000      0.6423000       3.581000 0.8954000       2.414000      0.9212000       1.167000       1.285000
  1 1 1     -16  -10   31 o    6.489000      0.4237000       6.457000 0.5960000       6.521000      0.6023000     -0.6486000E-01  0.8473000
  1 1 1     -16  -10   32 o    2.629000      0.6580000       2.135000 0.9115000       3.122000      0.9493000     -0.9869000       1.316000
  1 1 1     -16  -10   33 o    1.800000      0.5675000       1.449000 0.7067000       2.152000      0.8882000     -0.7024000       1.135000
  1 1 1     -16  -10   34 f    3.080000      0.6612000       2.700000 0.9554000       3.459000      0.9144000     -0.7590000       1.322000
  1 1 1     -16   -9    1 o    11.64000      0.2076000       11.90000 0.2981000       11.37000      0.2892000      0.5323000      0.4153000
  1 1 1     -16   -9    2 o    14.84000      0.2376000       14.63000 0.3319000       15.05000      0.3401000     -0.4201000      0.4752000
  1 1 1     -16   -9    3 o    9.357000      0.2047000       9.212000 0.2911000       9.501000      0.2878000     -0.2895000      0.4093000
  1 1 1     -16   -9    4 o    21.23000      0.3092000       21.41000 0.4405000       21.05000      0.4339000      0.3657000      0.6183000
  1 1 1     -16   -9    5 o    7.008000      0.2225000       6.957000 0.3102000       7.059000      0.3192000     -0.1017000      0.4451000
  1 1 1     -16   -9    6 o    16.18000      0.2569000       16.37000 0.3664000       15.98000      0.3601000      0.3904000      0.5137000
  1 1 1     -16   -9    7 o    3.204000      0.4031000       2.901000 0.6251000       3.507000      0.5090000     -0.6062000      0.8062000
  1 1 1     -16   -9    8 o    9.929000      0.2214000       10.02000 0.3119000       9.842000      0.3144000      0.1734000      0.4428000
  1 1 1     -16   -9    9 o    9.662000      0.2236000       9.840000 0.3161000       9.485000      0.3163000      0.3557000      0.4471000
  1 1 1     -16   -9   10 f    1.576000      0.5111000       1.703000 0.7647000       1.449000      0.6783000      0.2538000       1.022000
  1 1 1     -16   -9   11 o    7.555000      0.2478000       7.572000 0.3465000       7.539000      0.3542000      0.3252000E-01  0.4955000
  1 1 1     -16   -9   12 o    6.700000      0.2670000       6.405000 0.3899000       6.995000      0.3647000     -0.5896000      0.5339000
  1 1 1     -16   -9   13 o    11.06000      0.3344000       10.45000 0.4664000       11.66000      0.4794000      -1.216000      0.6688000
  1 1 1     -16   -9   14 o    8.829000      0.2550000       8.868000 0.3598000       8.790000      0.3613000      0.7777000E-01  0.5099000
  1 1 1     -16   -9   15 o    4.854000      0.3512000       5.261000 0.4626000       4.446000      0.5286000      0.8157000      0.7024000
  1 1 1     -16   -9   16 o    17.92000      0.2930000       17.79000 0.4120000       18.05000      0.4168000     -0.2644000      0.5860000
  1 1 1     -16   -9   17 o    5.022000      0.3801000       4.667000 0.5561000       5.377000      0.5185000     -0.7104000      0.7603000
  1 1 1     -16   -9   18 o    4.158000      0.4539000       4.189000 0.6443000       4.128000      0.6395000      0.6159000E-01  0.9078000
  1 1 1     -16   -9   19 o    12.50000      0.2666000       12.50000 0.3775000       12.50000      0.3766000      0.1557000E-02  0.5332000
  1 1 1     -16   -9   20 o    10.71000      0.2722000       10.61000 0.3849000       10.81000      0.3851000     -0.1961000      0.5444000
  1 1 1     -16   -9   21 o    4.435000      0.4615000       4.259000 0.6790000       4.611000      0.6251000     -0.3515000      0.9229000
  1 1 1     -16   -9   22 o    13.65000      0.2789000       13.71000 0.3974000       13.59000      0.3914000      0.1212000      0.5578000
  1 1 1     -16   -9   23 o    7.991000      0.3092000       8.716000 0.4150000       7.266000      0.4586000       1.450000      0.6185000
  1 1 1     -16   -9   24 o    11.10000      0.2883000       11.09000 0.4062000       11.12000      0.4091000     -0.3173000E-01  0.5765000
  1 1 1     -16   -9   25 o    8.636000      0.3204000       8.425000 0.4634000       8.846000      0.4426000     -0.4211000      0.6408000
  1 1 1     -16   -9   26 o    6.214000      0.5593000       5.937000 0.8852000       6.492000      0.6837000     -0.5550000       1.119000
  1 1 1     -16   -9   27 o    4.328000      0.7665000       4.548000 1.119000       4.107000       1.048000      0.4405000       1.533000
  1 1 1     -16   -9   28 o    7.069000      0.3898000       6.456000 0.6015000       7.683000      0.4958000      -1.227000      0.7795000
  1 1 1     -16   -9   29 o    4.224000      0.7679000       3.287000 1.133000       5.161000       1.037000      -1.873000       1.536000
  1 1 1     -16   -9   30 o    4.739000      0.7608000       5.247000 0.9375000       4.231000       1.198000       1.016000       1.522000
  1 1 1     -16   -9   31 f    6.071000      0.4673000       5.429000 0.7075000       6.713000      0.6106000      -1.284000      0.9345000
  1 1 1     -16   -9   32 o    2.248000      0.6277000       2.847000 0.9841000       1.648000      0.7794000       1.199000       1.255000
  1 1 1     -16   -9   33 o    4.679000      0.5614000       5.261000 0.7154000       4.097000      0.8654000       1.165000       1.123000
  1 1 1     -16   -9   34 o    3.609000      0.6220000       4.383000 0.7882000       2.835000      0.9624000       1.548000       1.244000
  1 1 1     -16   -8    1 o    11.24000      0.2046000       11.40000 0.2907000       11.07000      0.2881000      0.3283000      0.4092000
  1 1 1     -16   -8    2 o    13.17000      0.2219000       13.10000 0.3110000       13.23000      0.3166000     -0.1260000      0.4438000
  1 1 1     -16   -8    3 o    9.113000      0.1999000       9.094000 0.2795000       9.131000      0.2858000     -0.3706000E-01  0.3998000
  1 1 1     -16   -8    4 o    11.66000      0.2138000       11.50000 0.3021000       11.81000      0.3026000     -0.3086000      0.4275000
  1 1 1     -16   -8    5 o    1.787000      0.4625000       1.603000 0.6428000       1.970000      0.6653000     -0.3668000      0.9250000
  1 1 1     -16   -8    6 o    6.287000      0.2313000       6.462000 0.3281000       6.111000      0.3260000      0.3507000      0.4625000
  1 1 1     -16   -8    7 o    14.25000      0.2412000       14.57000 0.3469000       13.93000      0.3352000      0.6373000      0.4824000
  1 1 1     -16   -8    8 o    2.758000      0.4465000       3.286000 0.5658000       2.230000      0.6908000       1.056000      0.8930000
  1 1 1     -16   -8    9 o    6.962000      0.2369000       6.988000 0.3332000       6.937000      0.3370000      0.5039000E-01  0.4738000
  1 1 1     -16   -8   10 o    6.485000      0.3466000       6.620000 0.5042000       6.350000      0.4757000      0.2700000      0.6932000
  1 1 1     -16   -8   11 o    8.375000      0.2413000       8.445000 0.3379000       8.306000      0.3446000      0.1389000      0.4826000
  1 1 1     -16   -8   12 o    8.645000      0.2398000       8.831000 0.3400000       8.459000      0.3383000      0.3726000      0.4796000
  1 1 1     -16   -8   13 o    18.51000      0.4097000       18.27000 0.5706000       18.75000      0.5882000     -0.4748000      0.8195000
  1 1 1     -16   -8   14 o    14.63000      0.2660000       14.60000 0.3792000       14.66000      0.3731000     -0.5806000E-01  0.5320000
  1 1 1     -16   -8   15 o    2.904000      0.5356000       3.176000 0.7259000       2.631000      0.7878000      0.5447000       1.071000
  1 1 1     -16   -8   16 o    6.597000      0.2898000       6.527000 0.4141000       6.666000      0.4055000     -0.1394000      0.5796000
  1 1 1     -16   -8   17 o    20.52000      0.3219000       20.82000 0.4588000       20.23000      0.4517000      0.5933000      0.6438000
  1 1 1     -16   -8   18 o    12.70000      0.2654000       12.88000 0.3757000       12.51000      0.3749000      0.3725000      0.5308000
  1 1 1     -16   -8   19 o    12.52000      0.2662000       12.39000 0.3750000       12.66000      0.3780000     -0.2735000      0.5325000
  1 1 1     -16   -8   20 o    13.23000      0.2711000       13.08000 0.3828000       13.37000      0.3841000     -0.2928000      0.5423000
  1 1 1     -16   -8   21 f    7.752000      0.3930000       8.361000 0.4154000       7.143000      0.6672000       1.218000      0.7860000
  1 1 1     -16   -8   22 o    2.795000      0.5882000       2.148000 0.8561000       3.441000      0.8067000      -1.293000       1.176000
  1 1 1     -16   -8   23 o    10.24000      0.2834000       10.31000 0.3985000       10.18000      0.4029000      0.1303000      0.5667000
  1 1 1     -16   -8   24 o    11.42000      0.2886000       11.33000 0.4055000       11.50000      0.4108000     -0.1790000      0.5773000
  1 1 1     -16   -8   25 o    6.933000      0.3606000       6.983000 0.5083000       6.884000      0.5116000      0.9881000E-01  0.7212000
  1 1 1     -16   -8   26 o    5.571000      0.6147000       5.288000 0.9678000       5.855000      0.7581000     -0.5679000       1.229000
  1 1 1     -16   -8   27 o    6.247000      0.5833000       6.491000 0.8683000       6.002000      0.7790000      0.4894000       1.167000
  1 1 1     -16   -8   28 o    6.865000      0.4186000       6.359000 0.6272000       7.371000      0.5544000      -1.012000      0.8371000
  1 1 1     -16   -8   29 o    5.287000      0.7260000       5.256000 0.9387000       5.319000       1.108000     -0.6312000E-01   1.452000
  1 1 1     -16   -8   30 o    2.155000      0.6984000       1.976000 0.9143000       2.335000       1.056000     -0.3592000       1.397000
  1 1 1     -16   -8   31 o    3.878000      0.6465000       4.141000 0.8490000       3.614000      0.9752000      0.5266000       1.293000
  1 1 1     -16   -8   32 f    4.209000      0.5922000       5.363000 0.6972000       3.055000      0.9576000       2.308000       1.184000
  1 1 1     -16   -8   33 o    9.432000      0.3290000       9.231000 0.4943000       9.633000      0.4342000     -0.4022000      0.6579000
  1 1 1     -16   -8   34 o    3.467000      0.6405000       3.153000 0.9331000       3.781000      0.8776000     -0.6277000       1.281000
  1 1 1     -16   -7    1 o    2.903000      0.3540000       2.751000 0.5392000       3.054000      0.4588000     -0.3029000      0.7080000
  1 1 1     -16   -7    2 o    20.09000      0.2936000       20.08000 0.4154000       20.10000      0.4151000     -0.1868000E-01  0.5873000
  1 1 1     -16   -7    3 o    8.647000      0.1991000       8.487000 0.2828000       8.808000      0.2802000     -0.3207000      0.3981000
  1 1 1     -16   -7    4 o    8.117000      0.2058000       7.890000 0.2946000       8.344000      0.2875000     -0.4544000      0.4116000
  1 1 1     -16   -7    5 o    6.747000      0.2191000       6.587000 0.3157000       6.907000      0.3039000     -0.3198000      0.4382000
  1 1 1     -16   -7    6 o    12.06000      0.2212000       12.05000 0.3135000       12.07000      0.3121000     -0.2264000E-01  0.4423000
  1 1 1     -16   -7    7 o    4.403000      0.2922000       4.462000 0.4134000       4.344000      0.4131000      0.1177000      0.5844000
  1 1 1     -16   -7    8 o    17.86000      0.2768000       18.01000 0.3944000       17.71000      0.3886000      0.3047000      0.5537000
  1 1 1     -16   -7    9 o    9.231000      0.2214000       9.420000 0.3115000       9.042000      0.3146000      0.3780000      0.4427000
  1 1 1     -16   -7   10 o    6.295000      0.3597000       6.551000 0.5048000       6.040000      0.5126000      0.5113000      0.7195000
  1 1 1     -16   -7   11 o    8.054000      0.2436000       8.247000 0.3394000       7.862000      0.3496000      0.3850000      0.4872000
  1 1 1     -16   -7   12 o    7.628000      0.2423000       7.826000 0.3360000       7.430000      0.3492000      0.3957000      0.4846000
  1 1 1     -16   -7   13 o    10.39000      0.3325000       10.24000 0.4612000       10.53000      0.4790000     -0.2881000      0.6649000
  1 1 1     -16   -7   14 o    5.029000      0.3340000       5.051000 0.4832000       5.007000      0.4613000      0.4386000E-01  0.6680000
  1 1 1     -16   -7   15 o    3.777000      0.4258000       4.082000 0.5688000       3.472000      0.6336000      0.6100000      0.8515000
  1 1 1     -16   -7   16 f    9.004000      0.2521000       9.382000 0.3561000       8.627000      0.3570000      0.7548000      0.5042000
  1 1 1     -16   -7   17 o    21.71000      0.3325000       22.12000 0.4760000       21.30000      0.4644000      0.8162000      0.6650000
  1 1 1     -16   -7   18 o    15.79000      0.2797000       15.79000 0.3971000       15.80000      0.3940000     -0.6637000E-02  0.5594000
  1 1 1     -16   -7   19 o    7.706000      0.2899000       7.240000 0.4211000       8.172000      0.3985000     -0.9322000      0.5797000
  1 1 1     -16   -7   20 o    11.01000      0.2666000       11.32000 0.3790000       10.69000      0.3749000      0.6262000      0.5331000
  1 1 1     -16   -7   21 o    7.048000      0.3152000       6.972000 0.4552000       7.124000      0.4360000     -0.1525000      0.6304000
  1 1 1     -16   -7   22 o    10.71000      0.2784000       10.78000 0.3987000       10.64000      0.3887000      0.1447000      0.5568000
  1 1 1     -16   -7   23 o    10.98000      0.2813000       11.04000 0.3938000       10.93000      0.4018000      0.1069000      0.5626000
  1 1 1     -16   -7   24 o    9.001000      0.3138000       9.549000 0.4265000       8.453000      0.4604000       1.097000      0.6276000
  1 1 1     -16   -7   25 o    5.176000      0.4420000       5.218000 0.6327000       5.134000      0.6175000      0.8387000E-01  0.8841000
  1 1 1     -16   -7   26 o    4.998000      0.6202000       5.710000 0.8723000       4.285000      0.8819000       1.426000       1.240000
  1 1 1     -16   -7   27 o    6.030000      0.5816000       5.494000 0.9296000       6.566000      0.6993000      -1.072000       1.163000
  1 1 1     -16   -7   28 o    4.055000      0.6116000       3.911000 0.9217000       4.199000      0.8042000     -0.2879000       1.223000
  1 1 1     -16   -7   29 o    2.908000      0.8095000       2.878000 1.150000       2.937000       1.140000     -0.5939000E-01   1.619000
  1 1 1     -16   -7   30 o    6.660000      0.4147000       6.345000 0.6086000       6.974000      0.5633000     -0.6293000      0.8293000
  1 1 1     -16   -7   31 o    5.627000      0.4625000       5.389000 0.6759000       5.865000      0.6316000     -0.4757000      0.9250000
  1 1 1     -16   -7   32 o    7.227000      0.3729000       7.499000 0.5388000       6.955000      0.5157000      0.5449000      0.7458000
  1 1 1     -16   -7   33 f    3.786000      0.6168000       4.421000 0.8192000       3.151000      0.9223000       1.271000       1.234000
  1 1 1     -16   -7   34 o    3.172000      0.6519000       2.929000 0.9532000       3.415000      0.8895000     -0.4855000       1.304000
  1 1 1     -16   -6    1 o    10.46000      0.1985000       10.45000 0.2820000       10.46000      0.2794000     -0.7655000E-02  0.3969000
  1 1 1     -16   -6    2 f    11.53000      0.2079000       11.56000 0.2942000       11.51000      0.2939000      0.5293000E-01  0.4158000
  1 1 1     -16   -6    3 o    15.35000      0.2414000       15.18000 0.3391000       15.52000      0.3436000     -0.3363000      0.4827000
  1 1 1     -16   -6    4 o    22.97000      0.3295000       22.93000 0.4661000       23.01000      0.4660000     -0.7800000E-01  0.6591000
  1 1 1     -16   -6    5 o    12.61000      0.2211000       12.59000 0.3138000       12.64000      0.3116000     -0.5135000E-01  0.4422000
  1 1 1     -16   -6    6 o    8.751000      0.2087000       8.595000 0.2974000       8.907000      0.2927000     -0.3118000      0.4173000
  1 1 1     -16   -6    7 o    4.244000      0.3110000       3.797000 0.4753000       4.691000      0.4013000     -0.8940000      0.6221000
  1 1 1     -16   -6    8 o    12.30000      0.2283000       12.09000 0.3221000       12.50000      0.3235000     -0.4094000      0.4565000
  1 1 1     -16   -6    9 o    3.153000      0.4164000       3.152000 0.5772000       3.154000      0.6004000     -0.1954000E-02  0.8328000
  1 1 1     -16   -6   10 o    4.779000      0.4337000       5.355000 0.5749000       4.202000      0.6495000       1.154000      0.8674000
  1 1 1     -16   -6   11 o    20.01000      0.3053000       19.89000 0.4293000       20.14000      0.4341000     -0.2510000      0.6105000
  1 1 1     -16   -6   12 o    6.156000      0.2717000       6.207000 0.3761000       6.105000      0.3923000      0.1026000      0.5435000
  1 1 1     -16   -6   13 f    6.828000      0.3701000       7.514000 0.4848000       6.142000      0.5594000       1.372000      0.7402000
  1 1 1     -16   -6   14 o    4.524000      0.3798000       5.304000 0.4693000       3.744000      0.5973000       1.560000      0.7596000
  1 1 1     -16   -6   15 o    4.797000      0.3473000       5.161000 0.4770000       4.432000      0.5049000      0.7283000      0.6946000
  1 1 1     -16   -6   16 o    8.113000      0.2545000       8.365000 0.3583000       7.862000      0.3616000      0.5033000      0.5090000
  1 1 1     -16   -6   17 o    7.703000      0.2791000       7.648000 0.3932000       7.758000      0.3962000     -0.1102000      0.5581000
  1 1 1     -16   -6   18 o    6.718000      0.3095000       6.962000 0.4247000       6.473000      0.4504000      0.4890000      0.6191000
  1 1 1     -16   -6   19 o    4.809000      0.3902000       4.635000 0.5830000       4.983000      0.5186000     -0.3484000      0.7803000
  1 1 1     -16   -6   20 o    9.206000      0.2711000       9.085000 0.3883000       9.327000      0.3783000     -0.2417000      0.5421000
  1 1 1     -16   -6   21 o    2.031000      0.5763000       1.883000 0.7912000       2.179000      0.8383000     -0.2955000       1.153000
  1 1 1     -16   -6   22 o    17.83000      0.3037000       17.55000 0.4276000       18.12000      0.4313000     -0.5673000      0.6073000
  1 1 1     -16   -6   23 o    12.98000      0.2758000       12.92000 0.3895000       13.03000      0.3904000     -0.1158000      0.5515000
  1 1 1     -16   -6   24 o    13.54000      0.2837000       13.80000 0.3997000       13.28000      0.4027000      0.5188000      0.5674000
  1 1 1     -16   -6   25 o    7.648000      0.3362000       7.354000 0.4924000       7.941000      0.4577000     -0.5872000      0.6723000
  1 1 1     -16   -6   26 o    4.981000       1.001000       4.981000 1.001000                  ?              ?              ?              ?
  1 1 1     -16   -6   27 o    8.189000      0.4610000       8.653000 0.6727000       7.725000      0.6304000      0.9271000      0.9219000
  1 1 1     -16   -6   28 o    2.614000      0.9496000                  ?       ?   2.614000      0.9496000                  ?              ?
  1 1 1     -16   -6   29 o    2.518000      0.7564000       2.365000 1.041000       2.672000       1.098000     -0.3066000       1.513000
  1 1 1     -16   -6   30 o    7.552000      0.3722000       7.766000 0.5086000       7.338000      0.5437000      0.4277000      0.7445000
  1 1 1     -16   -6   31 o    3.196000      0.6570000       2.804000 0.9573000       3.587000      0.9001000     -0.7835000       1.314000
  1 1 1     -16   -6   32 o    5.589000      0.4388000       5.754000 0.6267000       5.424000      0.6143000      0.3305000      0.8776000
  1 1 1     -16   -6   33 o    4.100000      0.5919000       4.060000 0.9177000       4.139000      0.7480000     -0.7851000E-01   1.184000
  1 1 1     -16   -6   34 o    6.081000      0.4076000       5.652000 0.6196000       6.511000      0.5297000     -0.8590000      0.8151000
  1 1 1     -16   -5    1 o    2.153000      0.4202000       2.201000 0.5893000       2.106000      0.5992000      0.9530000E-01  0.8404000
  1 1 1     -16   -5    2 o    17.21000      0.2606000       17.30000 0.3700000       17.13000      0.3672000      0.1702000      0.5213000
  1 1 1     -16   -5    3 o    20.93000      0.3033000       20.99000 0.4299000       20.86000      0.4280000      0.1224000      0.6066000
  1 1 1     -16   -5    4 o    17.78000      0.2695000       18.02000 0.3855000       17.53000      0.3767000      0.4930000      0.5389000
  1 1 1     -16   -5    5 o    13.20000      0.2259000       13.38000 0.3219000       13.02000      0.3169000      0.3601000      0.4517000
  1 1 1     -16   -5    6 o    7.276000      0.2182000       7.127000 0.3123000       7.425000      0.3048000     -0.2982000      0.4364000
  1 1 1     -16   -5    7 o    11.76000      0.2222000       12.15000 0.3164000       11.36000      0.3122000      0.7903000      0.4444000
  1 1 1     -16   -5    8 o    3.386000      0.3950000       3.791000 0.4685000       2.980000      0.6361000      0.8119000      0.7900000
  1 1 1     -16   -5    9 o    6.090000      0.2472000       5.979000 0.3532000       6.201000      0.3459000     -0.2217000      0.4943000
  1 1 1     -16   -5   10 o    3.375000      0.5454000       3.178000 0.8184000       3.573000      0.7210000     -0.3956000       1.091000
  1 1 1     -16   -5   11 o    10.58000      0.2301000       10.73000 0.3257000       10.43000      0.3250000      0.2958000      0.4602000
  1 1 1     -16   -5   12 o    4.770000      0.3193000       4.758000 0.4530000       4.782000      0.4501000     -0.2418000E-01  0.6386000
  1 1 1     -16   -5   13 o    13.18000      0.3442000       13.15000 0.4846000       13.20000      0.4889000     -0.5676000E-01  0.6884000
  1 1 1     -16   -5   14 f    7.024000      0.2738000       7.365000 0.3795000       6.683000      0.3948000      0.6822000      0.5476000
  1 1 1     -16   -5   15 o    8.857000      0.2460000       8.635000 0.3481000       9.078000      0.3476000     -0.4433000      0.4919000
  1 1 1     -16   -5   16 o    7.883000      0.2631000       7.629000 0.3790000       8.136000      0.3650000     -0.5068000      0.5262000
  1 1 1     -16   -5   17 o    7.790000      0.2741000       8.101000 0.3780000       7.478000      0.3971000      0.6224000      0.5482000
  1 1 1     -16   -5   18 o    19.91000      0.3816000       20.51000 0.4539000       19.30000      0.6134000       1.210000      0.7631000
  1 1 1     -16   -5   19 o    18.20000      0.3698000       18.63000 0.4337000       17.78000      0.5991000      0.8539000      0.7396000
  1 1 1     -16   -5   20 o    7.609000      0.2860000       7.607000 0.4040000       7.612000      0.4050000     -0.5849000E-02  0.5720000
  1 1 1     -16   -5   21 o    9.505000      0.2732000       9.223000 0.3905000       9.787000      0.3821000     -0.5647000      0.5463000
  1 1 1     -16   -5   22 o    9.610000      0.2786000       9.610000 0.3967000       9.609000      0.3912000      0.4892000E-03  0.5571000
  1 1 1     -16   -5   23 o    3.002000      0.6068000       2.745000 0.8534000       3.259000      0.8630000     -0.5143000       1.214000
  1 1 1     -16   -5   24 o    5.035000      0.4278000       5.588000 0.5291000       4.483000      0.6724000       1.105000      0.8556000
  1 1 1     -16   -5   25 o    5.297000      0.4272000       4.935000 0.6436000       5.658000      0.5619000     -0.7224000      0.8544000
  1 1 1     -16   -5   26 o    6.159000      0.7630000       6.159000 0.7630000                  ?              ?              ?              ?
  1 1 1     -16   -5   27 o    13.04000      0.2942000       12.89000 0.4189000       13.19000      0.4133000     -0.2901000      0.5885000
  1 1 1     -16   -5   28 o    2.477000      0.9311000                  ?       ?   2.477000      0.9311000                  ?              ?
  1 1 1     -16   -5   29 o    3.534000      0.8100000       3.817000 1.150000       3.252000       1.141000      0.5658000       1.620000
  1 1 1     -16   -5   30 o    4.122000      0.5953000       4.815000 0.7370000       3.430000      0.9351000       1.385000       1.191000
  1 1 1     -16   -5   31 o    2.139000      0.6240000       2.454000 0.9399000       1.824000      0.8212000      0.6296000       1.248000
  1 1 1     -16   -5   32 o    2.423000      0.6491000       2.215000 0.9177000       2.630000      0.9183000     -0.4146000       1.298000
  1 1 1     -16   -5   33 o    6.050000      0.4254000       5.723000 0.6740000       6.378000      0.5191000     -0.6545000      0.8507000
  1 1 1     -16   -5   34 o    5.645000      0.4341000       5.777000 0.6196000       5.514000      0.6081000      0.2628000      0.8682000
  1 1 1     -16   -4    1 o    12.32000      0.2107000       12.40000 0.2994000       12.25000      0.2964000      0.1477000      0.4213000
  1 1 1     -16   -4    2 f    19.15000      0.2821000       19.45000 0.4040000       18.85000      0.3938000      0.5990000      0.5641000
  1 1 1     -16   -4    3 o    3.790000      0.2961000       4.253000 0.3673000       3.327000      0.4645000      0.9266000      0.5922000
  1 1 1     -16   -4    4 o    9.738000      0.2047000       9.810000 0.2921000       9.666000      0.2869000      0.1437000      0.4094000
  1 1 1     -16   -4    5 o    4.825000      0.2561000       4.709000 0.3675000       4.942000      0.3566000     -0.2329000      0.5121000
  1 1 1     -16   -4    6 o    4.514000      0.2746000       4.833000 0.3804000       4.196000      0.3962000      0.6374000      0.5492000
  1 1 1     -16   -4    7 o    4.267000      0.2902000       4.292000 0.4047000       4.243000      0.4160000      0.4887000E-01  0.5804000
  1 1 1     -16   -4    8 o    2.229000      0.4430000       1.540000 0.6386000       2.918000      0.6141000      -1.379000      0.8860000
  1 1 1     -16   -4    9 o    12.36000      0.2324000       12.28000 0.3276000       12.44000      0.3296000     -0.1673000      0.4647000
  1 1 1     -16   -4   10 o    17.71000      0.3922000       17.50000 0.5536000       17.92000      0.5557000     -0.4206000      0.7844000
  1 1 1     -16   -4   11 o    3.002000      0.4467000       3.552000 0.5527000       2.452000      0.7019000       1.101000      0.8933000
  1 1 1     -16   -4   12 f    6.991000      0.2573000       7.215000 0.3531000       6.767000      0.3743000      0.4488000      0.5145000
  1 1 1     -16   -4   13 o    7.237000      0.3515000       6.973000 0.4940000       7.502000      0.5001000     -0.5295000      0.7030000
  1 1 1     -16   -4   14 o    4.746000      0.3479000       4.479000 0.5155000       5.014000      0.4674000     -0.5351000      0.6959000
  1 1 1     -16   -4   15 o    6.000000      0.2880000       6.264000 0.4093000       5.737000      0.4054000      0.5271000      0.5761000
  1 1 1     -16   -4   16 o    9.472000      0.2469000       9.170000 0.3547000       9.773000      0.3437000     -0.6032000      0.4939000
  1 1 1     -16   -4   17 o    5.699000      0.3189000       5.566000 0.4537000       5.832000      0.4482000     -0.2666000      0.6377000
  1 1 1     -16   -4   18 o    23.16000      0.3484000       23.08000 0.4911000       23.25000      0.4943000     -0.1796000      0.6968000
  1 1 1     -16   -4   19 o    22.58000      0.3437000       22.69000 0.4900000       22.46000      0.4820000      0.2290000      0.6873000
  1 1 1     -16   -4   20 o    15.67000      0.3454000       15.76000 0.3939000       15.58000      0.5674000      0.1786000      0.6907000
  1 1 1     -16   -4   21 o    14.67000      0.2775000       14.60000 0.3921000       14.73000      0.3927000     -0.1266000      0.5549000
  1 1 1     -16   -4   22 o    15.59000      0.2829000       15.33000 0.3978000       15.85000      0.4024000     -0.5229000      0.5658000
  1 1 1     -16   -4   23 o    8.830000      0.2843000       8.982000 0.4002000       8.678000      0.4038000      0.3038000      0.5685000
  1 1 1     -16   -4   24 o    13.12000      0.2805000       13.81000 0.4013000       12.44000      0.3919000       1.375000      0.5609000
  1 1 1     -16   -4   25 o    6.947000      0.3362000       7.231000 0.4590000       6.662000      0.4913000      0.5690000      0.6723000
  1 1 1     -16   -4   26 o    2.776000      0.6794000       3.787000 1.073000       1.765000      0.8337000       2.021000       1.359000
  1 1 1     -16   -4   27 o    4.440000      0.5074000       4.602000 0.7181000       4.277000      0.7172000      0.3248000       1.015000
  1 1 1     -16   -4   28 o    2.212000      0.6381000       2.157000 0.9013000       2.267000      0.9035000     -0.1100000       1.276000
  1 1 1     -16   -4   29 o    7.567000      0.5253000       7.110000 0.7578000       8.023000      0.7277000     -0.9129000       1.051000
  1 1 1     -16   -4   30 o    2.665000      0.6366000       2.103000 0.8916000       3.226000      0.9089000      -1.123000       1.273000
  1 1 1     -16   -4   31 o    5.924000      0.4365000       6.153000 0.5817000       5.695000      0.6510000      0.4578000      0.8730000
  1 1 1     -16   -4   32 o    5.163000      0.4671000       5.053000 0.6989000       5.273000      0.6198000     -0.2205000      0.9342000
  1 1 1     -16   -4   33 o    3.393000      0.6470000       3.457000 0.9592000       3.329000      0.8685000      0.1285000       1.294000
  1 1 1     -16   -4   34 o    2.834000      0.6453000       2.655000 0.9335000       3.014000      0.8913000     -0.3585000       1.291000
  1 1 1     -16   -3    1 o    8.007000      0.1929000       7.723000 0.2766000       8.291000      0.2689000     -0.5680000      0.3857000
  1 1 1     -16   -3    2 o    5.814000      0.2143000       5.707000 0.3088000       5.920000      0.2973000     -0.2130000      0.4287000
  1 1 1     -16   -3    3 o    18.12000      0.2718000       18.18000 0.3845000       18.06000      0.3842000      0.1141000      0.5435000
  1 1 1     -16   -3    4 o    14.23000      0.2333000       14.14000 0.3290000       14.33000      0.3309000     -0.1913000      0.4666000
  1 1 1     -16   -3    5 o    12.65000      0.2225000       12.73000 0.3164000       12.57000      0.3130000      0.1596000      0.4451000
  1 1 1     -16   -3    6 o    6.611000      0.2221000       6.676000 0.3185000       6.546000      0.3098000      0.1303000      0.4443000
  1 1 1     -16   -3    7 o    5.942000      0.2396000       6.002000 0.3377000       5.882000      0.3399000      0.1198000      0.4792000
  1 1 1     -16   -3    8 o    4.101000      0.3159000       4.143000 0.4465000       4.060000      0.4472000      0.8289000E-01  0.6319000
  1 1 1     -16   -3    9 o    8.043000      0.3178000       8.276000 0.4546000       7.810000      0.4443000      0.4657000      0.6356000
  1 1 1     -16   -3   10 o    8.053000      0.3263000       8.465000 0.4632000       7.641000      0.4596000      0.8237000      0.6525000
  1 1 1     -16   -3   11 o    8.600000      0.2320000       8.769000 0.3241000       8.431000      0.3321000      0.3382000      0.4640000
  1 1 1     -16   -3   12 o    5.014000      0.4304000       5.270000 0.5618000       4.758000      0.6523000      0.5124000      0.8609000
  1 1 1     -16   -3   13 o    9.938000      0.3351000       9.700000 0.4621000       10.18000      0.4855000     -0.4763000      0.6703000
  1 1 1     -16   -3   14 o    9.548000      0.2410000       9.633000 0.3433000       9.462000      0.3384000      0.1707000      0.4821000
  1 1 1     -16   -3   15 o    6.335000      0.2825000       6.537000 0.3967000       6.133000      0.4023000      0.4038000      0.5650000
  1 1 1     -16   -3   16 o    6.055000      0.3021000       6.030000 0.4261000       6.079000      0.4285000     -0.4863000E-01  0.6043000
  1 1 1     -16   -3   17 o    10.33000      0.2511000       10.62000 0.3541000       10.04000      0.3562000      0.5839000      0.5022000
  1 1 1     -16   -3   18 f    13.00000      0.2613000       12.91000 0.3682000       13.08000      0.3709000     -0.1757000      0.5227000
  1 1 1     -16   -3   19 o    2.917000      0.5382000       2.862000 0.7965000       2.972000      0.7240000     -0.1103000       1.076000
  1 1 1     -16   -3   20 o    7.036000      0.2949000       7.078000 0.4131000       6.994000      0.4211000      0.8370000E-01  0.5899000
  1 1 1     -16   -3   21 o    4.593000      0.4140000       4.777000 0.5698000       4.409000      0.6008000      0.3673000      0.8280000
  1 1 1     -16   -3   22 o    10.05000      0.2684000       9.693000 0.3828000       10.41000      0.3765000     -0.7168000      0.5369000
  1 1 1     -16   -3   23 o    11.99000      0.2764000       11.99000 0.3957000       11.98000      0.3861000      0.6322000E-02  0.5528000
  1 1 1     -16   -3   24 o    10.76000      0.3517000       10.98000 0.3930000       10.54000      0.5835000      0.4459000      0.7035000
  1 1 1     -16   -3   25 o    6.253000      0.5194000       6.314000 0.7338000       6.192000      0.7353000      0.1225000       1.039000
  1 1 1     -16   -3   26 o    6.867000      0.4686000       7.453000 0.6413000       6.281000      0.6836000       1.172000      0.9373000
  1 1 1     -16   -3   27 o    4.537000      0.5210000       4.417000 0.7291000       4.657000      0.7444000     -0.2398000       1.042000
  1 1 1     -16   -3   28 o    7.508000      0.5205000       7.645000 0.7072000       7.371000      0.7640000      0.2733000       1.041000
  1 1 1     -16   -3   29 o    8.092000      0.3056000       8.391000 0.4362000       7.794000      0.4282000      0.5967000      0.6113000
  1 1 1     -16   -3   30 o    3.423000      0.6448000       3.173000 0.9532000       3.672000      0.8685000     -0.4991000       1.290000
  1 1 1     -16   -3   31 o    7.281000      0.3500000       7.389000 0.4734000       7.173000      0.5157000      0.2159000      0.7000000
  1 1 1     -16   -3   32 o    3.275000      0.6566000       3.442000 0.9321000       3.108000      0.9252000      0.3346000       1.313000
  1 1 1     -16   -3   33 o    5.828000      0.4166000       6.017000 0.6025000       5.639000      0.5755000      0.3777000      0.8331000
  1 1 1     -16   -3   34 o    2.558000      0.6504000       2.742000 0.9470000       2.374000      0.8917000      0.3676000       1.301000
  1 1 1     -16   -2    1 o    11.07000      0.2025000       11.27000 0.2897000       10.87000      0.2830000      0.3987000      0.4050000
  1 1 1     -16   -2    2 o    10.62000      0.2010000       10.55000 0.2851000       10.70000      0.2833000     -0.1550000      0.4019000
  1 1 1     -16   -2    3 o    12.45000      0.2162000       12.57000 0.3072000       12.34000      0.3042000      0.2340000      0.4324000
  1 1 1     -16   -2    4 o    6.053000      0.2196000       6.212000 0.3016000       5.895000      0.3194000      0.3174000      0.4393000
  1 1 1     -16   -2    5 o    14.90000      0.2404000       14.90000 0.3400000       14.90000      0.3399000      0.6458000E-02  0.4808000
  1 1 1     -16   -2    6 o    6.009000      0.2260000       5.668000 0.3287000       6.350000      0.3103000     -0.6827000      0.4520000
  1 1 1     -16   -2    7 o    6.760000      0.2789000       6.395000 0.4595000       7.124000      0.3162000     -0.7292000      0.5578000
  1 1 1     -16   -2    8 o    14.35000      0.2419000       14.44000 0.3443000       14.26000      0.3399000      0.1891000      0.4838000
  1 1 1     -16   -2    9 o    6.488000      0.3168000       6.562000 0.4656000       6.414000      0.4297000      0.1486000      0.6336000
  1 1 1     -16   -2   10 o    13.90000      0.2424000       13.88000 0.3439000       13.91000      0.3415000     -0.3183000E-01  0.4847000
  1 1 1     -16   -2   11 o    11.26000      0.2285000       11.41000 0.3241000       11.12000      0.3223000      0.2881000      0.4571000
  1 1 1     -16   -2   12 o    3.959000      0.5107000       4.218000 0.6625000       3.700000      0.7774000      0.5174000       1.021000
  1 1 1     -16   -2   13 o    16.12000      0.2695000       15.85000 0.3759000       16.39000      0.3861000     -0.5470000      0.5389000
  1 1 1     -16   -2   14 o    2.510000      0.4699000       1.844000 0.7241000       3.176000      0.5989000      -1.331000      0.9397000
  1 1 1     -16   -2   15 o    8.879000      0.2399000       9.031000 0.3431000       8.728000      0.3353000      0.3030000      0.4797000
  1 1 1     -16   -2   16 o    7.556000      0.2600000       7.524000 0.3674000       7.589000      0.3679000     -0.6535000E-01  0.5199000
  1 1 1     -16   -2   17 o    7.058000      0.2841000       7.272000 0.3920000       6.844000      0.4112000      0.4275000      0.5681000
  1 1 1     -16   -2   18 o    8.465000      0.2669000       8.111000 0.3819000       8.819000      0.3729000     -0.7083000      0.5338000
  1 1 1     -16   -2   19 o    13.89000      0.2628000       13.77000 0.3714000       14.00000      0.3719000     -0.2275000      0.5256000
  1 1 1     -16   -2   20 o    4.302000      0.4083000       4.678000 0.5279000       3.925000      0.6231000      0.7522000      0.8167000
  1 1 1     -16   -2   21 o    14.66000      0.2742000       14.51000 0.3859000       14.81000      0.3896000     -0.3003000      0.5484000
  1 1 1     -16   -2   22 o    10.42000      0.2677000       10.52000 0.3783000       10.32000      0.3789000      0.2033000      0.5354000
  1 1 1     -16   -2   23 o    7.956000      0.3007000       7.693000 0.4478000       8.219000      0.4013000     -0.5256000      0.6013000
  1 1 1     -16   -2   24 o    9.250000      0.2913000       9.351000 0.4160000       9.149000      0.4079000      0.2024000      0.5826000
  1 1 1     -16   -2   25 o    7.924000      0.4258000       8.207000 0.6092000       7.640000      0.5952000      0.5662000      0.8517000
  1 1 1     -16   -2   26 o    4.889000      0.4528000       4.761000 0.6699000       5.017000      0.6094000     -0.2552000      0.9056000
  1 1 1     -16   -2   27 o    2.268000      0.8976000       2.268000 0.8976000                  ?              ?              ?              ?
  1 1 1     -16   -2   28 o    8.025000      0.5140000       8.577000 0.6783000       7.474000      0.7725000       1.103000       1.028000
  1 1 1     -16   -2   29 o    2.405000      0.7061000       2.780000 1.117000       2.030000      0.8636000      0.7501000       1.412000
  1 1 1     -16   -2   30 o    6.573000      0.3913000       6.306000 0.5787000       6.839000      0.5268000     -0.5323000      0.7826000
  1 1 1     -16   -2   31 o    5.952000      0.3888000       5.707000 0.5784000       6.197000      0.5199000     -0.4903000      0.7777000
  1 1 1     -16   -2   32 o    2.570000      0.5987000       3.522000 0.9254000       1.618000      0.7599000       1.904000       1.197000
  1 1 1     -16   -2   33 o    3.295000      0.6267000       3.167000 0.9465000       3.423000      0.8218000     -0.2556000       1.253000
  1 1 1     -16   -2   34 o    2.677000      0.6354000       3.214000 0.9224000       2.141000      0.8742000       1.073000       1.271000
  1 1 1     -16   -1    1 o    5.323000      0.2129000       5.537000 0.3013000       5.110000      0.3009000      0.4266000      0.4258000
  1 1 1     -16   -1    2 o    10.39000      0.2004000       10.57000 0.2873000       10.20000      0.2795000      0.3632000      0.4008000
  1 1 1     -16   -1    3 o    17.62000      0.2667000       17.68000 0.3788000       17.55000      0.3756000      0.1356000      0.5334000
  1 1 1     -16   -1    4 o    9.471000      0.2011000       9.630000 0.2880000       9.312000      0.2808000      0.3182000      0.4023000
  1 1 1     -16   -1    5 o    5.699000      0.2357000       5.791000 0.3321000       5.608000      0.3344000      0.1826000      0.4713000
  1 1 1     -16   -1    6 o    6.479000      0.2244000       6.644000 0.3183000       6.314000      0.3165000      0.3299000      0.4489000
  1 1 1     -16   -1    7 o    3.092000      0.4001000       3.535000 0.4849000       2.648000      0.6365000      0.8870000      0.8002000
  1 1 1     -16   -1    8 o    12.24000      0.3175000       12.46000 0.4575000       12.01000      0.4403000      0.4448000      0.6350000
  1 1 1     -16   -1    9 o    6.904000      0.3268000       7.109000 0.4671000       6.698000      0.4572000      0.4114000      0.6536000
  1 1 1     -16   -1   10 o    5.665000      0.2716000       5.596000 0.3851000       5.734000      0.3832000     -0.1385000      0.5432000
  1 1 1     -16   -1   11 o    9.903000      0.3225000       10.28000 0.4438000       9.529000      0.4681000      0.7469000      0.6450000
  1 1 1     -16   -1   12 o    3.290000      0.5847000       3.457000 0.7797000       3.122000      0.8716000      0.3353000       1.169000
  1 1 1     -16   -1   13 o    9.946000      0.2377000       10.20000 0.3373000       9.689000      0.3350000      0.5146000      0.4754000
  1 1 1     -16   -1   14 o    3.350000      0.4284000       2.851000 0.6705000       3.849000      0.5332000     -0.9980000      0.8567000
  1 1 1     -16   -1   15 o    5.924000      0.2907000       5.913000 0.4152000       5.935000      0.4071000     -0.2218000E-01  0.5815000
  1 1 1     -16   -1   16 o    8.514000      0.2547000       8.694000 0.3606000       8.335000      0.3597000      0.3586000      0.5094000
  1 1 1     -16   -1   17 o    2.338000      0.5418000       2.266000 0.7706000       2.410000      0.7617000     -0.1442000       1.084000
  1 1 1     -16   -1   18 o    8.259000      0.2615000       8.872000 0.3543000       7.646000      0.3847000       1.226000      0.5230000
  1 1 1     -16   -1   19 o    10.66000      0.2530000       10.56000 0.3599000       10.77000      0.3556000     -0.2075000      0.5060000
  1 1 1     -16   -1   20 o    2.270000      0.5133000       1.508000 0.6844000       3.032000      0.7652000      -1.525000       1.027000
  1 1 1     -16   -1   21 f    11.67000      0.2591000       11.39000 0.3637000       11.96000      0.3693000     -0.5701000      0.5183000
  1 1 1     -16   -1   22 o    8.299000      0.2802000       8.049000 0.4015000       8.548000      0.3908000     -0.4985000      0.5603000
  1 1 1     -16   -1   23 o    9.503000      0.2877000       9.834000 0.4068000       9.173000      0.4069000      0.6604000      0.5754000
  1 1 1     -16   -1   24 o    3.172000      0.5817000       3.124000 0.8360000       3.220000      0.8092000     -0.9564000E-01   1.163000
  1 1 1     -16   -1   25 o    6.567000      0.4695000       6.124000 0.7440000       7.010000      0.5727000     -0.8858000      0.9389000
  1 1 1     -16   -1   26 o    4.662000      0.4980000       5.258000 0.6236000       4.066000      0.7765000       1.192000      0.9959000
  1 1 1     -16   -1   27 o    12.11000      0.6025000       12.11000 0.6025000                  ?              ?              ?              ?
  1 1 1     -16   -1   28 o    11.93000      0.4403000       12.73000 0.6108000       11.12000      0.6343000       1.611000      0.8806000
  1 1 1     -16   -1   29 o    4.561000      0.7317000                  ?       ?   4.561000      0.7317000                  ?              ?
  1 1 1     -16   -1   30 o    8.419000      0.3368000       8.387000 0.4895000       8.450000      0.4626000     -0.6295000E-01  0.6735000
  1 1 1     -16   -1   31 o    3.454000      0.6263000       3.931000 0.8451000       2.977000      0.9246000      0.9534000       1.253000
  1 1 1     -16   -1   32 o    4.557000      0.5230000       4.797000 0.6919000       4.317000      0.7843000      0.4800000       1.046000
  1 1 1     -16   -1   33 o    2.321000      0.5924000       1.568000 0.7448000       3.073000      0.9215000      -1.505000       1.185000
  1 1 1     -16    0    1 o    15.21000      0.2383000       15.15000 0.3385000       15.26000      0.3356000     -0.1082000      0.4767000
  1 1 1     -16    0    2 o    20.29000      0.2958000       20.53000 0.4226000       20.05000      0.4141000      0.4818000      0.5917000
  1 1 1     -16    0    3 o    12.60000      0.2181000       12.69000 0.3107000       12.52000      0.3061000      0.1652000      0.4362000
  1 1 1     -16    0    4 o    14.39000      0.2357000       14.64000 0.3348000       14.14000      0.3319000      0.4938000      0.4714000
  1 1 1     -16    0    5 o    4.587000      0.2583000       4.636000 0.3555000       4.538000      0.3748000      0.9783000E-01  0.5166000
  1 1 1     -16    0    6 o    9.754000      0.2105000       9.974000 0.2963000       9.533000      0.2990000      0.4409000      0.4209000
  1 1 1     -16    0    7 o    2.254000      0.4477000       1.835000 0.6699000       2.674000      0.5941000     -0.8388000      0.8954000
  1 1 1     -16    0    8 o    4.757000      0.4075000       4.493000 0.6177000       5.021000      0.5318000     -0.5273000      0.8151000
  1 1 1     -16    0    9 o    17.02000      0.2707000       17.09000 0.3827000       16.96000      0.3829000      0.1351000      0.5414000
  1 1 1     -16    0   10 o    3.600000      0.3870000       3.945000 0.4791000       3.255000      0.6080000      0.6905000      0.7740000
  1 1 1     -16    0   11 o    5.751000      0.3987000       5.690000 0.5481000       5.811000      0.5791000     -0.1204000      0.7974000
  1 1 1     -16    0   12 o    13.44000      0.2466000       13.24000 0.3462000       13.64000      0.3512000     -0.3968000      0.4931000
  1 1 1     -16    0   13 o    4.941000      0.3037000       4.955000 0.4363000       4.927000      0.4227000      0.2713000E-01  0.6075000
  1 1 1     -16    0   14 o    3.197000      0.4486000       3.338000 0.6017000       3.055000      0.6657000      0.2832000      0.8973000
  1 1 1     -16    0   15 o    10.72000      0.2412000       10.69000 0.3426000       10.74000      0.3396000     -0.4180000E-01  0.4824000
  1 1 1     -16    0   16 o    2.906000      0.4967000       3.322000 0.6738000       2.489000      0.7301000      0.8334000      0.9935000
  1 1 1     -16    0   17 f    1.918000      0.5200000       2.099000 0.7545000       1.737000      0.7158000      0.3620000       1.040000
  1 1 1     -16    0   18 o    3.517000      0.4451000       3.579000 0.6186000       3.456000      0.6401000      0.1233000      0.8902000
  1 1 1     -16    0   19 o    2.941000      0.5383000       3.367000 0.7235000       2.515000      0.7972000      0.8522000       1.077000
  1 1 1     -16    0   20 o    2.831000      0.5218000       3.570000 0.6858000       2.092000      0.7868000       1.478000       1.044000
  1 1 1     -16    0   21 o    4.560000      0.3813000       4.682000 0.5139000       4.438000      0.5635000      0.2445000      0.7626000
  1 1 1     -16    0   22 o    5.569000      0.3478000       5.579000 0.5048000       5.559000      0.4785000      0.2054000E-01  0.6955000
  1 1 1     -16    0   23 o    7.196000      0.2965000       7.329000 0.4218000       7.063000      0.4167000      0.2656000      0.5929000
  1 1 1     -16    0   24 o    10.38000      0.3645000       9.996000 0.5337000       10.77000      0.4966000     -0.7771000      0.7290000
  1 1 1     -16    0   25 o    2.359000      0.6085000       2.428000 0.8534000       2.291000      0.8678000      0.1377000       1.217000
  1 1 1     -16    0   26 o    4.345000      0.5099000       4.321000 0.7370000       4.368000      0.7050000     -0.4747000E-01   1.020000
  1 1 1     -16    0   27 o    8.004000      0.5161000       7.323000 0.7594000       8.685000      0.6991000      -1.362000       1.032000
  1 1 1     -16    0   28 o    5.987000      0.4024000       6.668000 0.5426000       5.307000      0.5943000       1.361000      0.8047000
  1 1 1     -16    0   29 o    4.431000      0.5962000       4.156000 0.9405000       4.706000      0.7329000     -0.5507000       1.192000
  1 1 1     -16    0   30 o    10.49000      0.3130000       10.22000 0.4632000       10.77000      0.4209000     -0.5481000      0.6259000
  1 1 1     -16    0   31 o    4.491000      0.5205000       4.820000 0.7167000       4.162000      0.7551000      0.6585000       1.041000
  1 1 1     -16    0   32 f    2.693000      0.6122000       3.365000 0.8938000       2.021000      0.8367000       1.344000       1.224000
  1 1 1     -16    0   33 o    2.683000      0.6619000       2.757000 0.9531000       2.608000      0.9189000      0.1492000       1.324000
  1 1 1     -16    1    1 o    3.145000      0.3165000       3.058000 0.4648000       3.231000      0.4298000     -0.1733000      0.6330000
  1 1 1     -16    1    2 o    10.14000      0.1997000       10.36000 0.2866000       9.916000      0.2781000      0.4421000      0.3994000
  1 1 1     -16    1    3 o    14.02000      0.2304000       13.95000 0.3253000       14.10000      0.3263000     -0.1533000      0.4607000
  1 1 1     -16    1    4 o    11.04000      0.2101000       11.19000 0.2960000       10.88000      0.2984000      0.3149000      0.4203000
  1 1 1     -16    1    5 o    5.100000      0.2538000       5.192000 0.3561000       5.008000      0.3616000      0.1843000      0.5075000
  1 1 1     -16    1    6 o    14.73000      0.2438000       14.85000 0.3469000       14.61000      0.3426000      0.2375000      0.4875000
  1 1 1     -16    1    7 o    3.299000      0.5046000       2.830000 0.8033000       3.769000      0.6110000     -0.9394000       1.009000
  1 1 1     -16    1    8 o    2.782000      0.4292000       3.077000 0.5515000       2.487000      0.6577000      0.5895000      0.8584000
  1 1 1     -16    1    9 o    17.59000      0.2762000       17.49000 0.3893000       17.69000      0.3919000     -0.2049000      0.5524000
  1 1 1     -16    1   10 o    3.089000      0.5646000       3.133000 0.7706000       3.044000      0.8254000      0.8911000E-01   1.129000
  1 1 1     -16    1   11 o    1.501000      0.4512000       1.326000 0.6028000       1.676000      0.6715000     -0.3493000      0.9023000
  1 1 1     -16    1   12 o    12.29000      0.2366000       12.18000 0.3350000       12.40000      0.3342000     -0.2152000      0.4732000
  1 1 1     -16    1   13 o    4.435000      0.3076000       4.514000 0.4411000       4.355000      0.4288000      0.1590000      0.6152000
  1 1 1     -16    1   14 o    11.95000      0.2409000       11.86000 0.3419000       12.05000      0.3395000     -0.1894000      0.4818000
  1 1 1     -16    1   15 o    4.128000      0.3712000       4.358000 0.4986000       3.898000      0.5499000      0.4602000      0.7423000
  1 1 1     -16    1   16 o    11.54000      0.2446000       11.66000 0.3445000       11.42000      0.3473000      0.2357000      0.4892000
  1 1 1     -16    1   17 o    8.997000      0.2508000       8.628000 0.3561000       9.365000      0.3532000     -0.7368000      0.5016000
  1 1 1     -16    1   18 o    2.029000      0.5239000       2.389000 0.7724000       1.668000      0.7082000      0.7212000       1.048000
  1 1 1     -16    1   19 o    6.820000      0.2905000       7.288000 0.4003000       6.353000      0.4211000      0.9345000      0.5810000
  1 1 1     -16    1   20 o    3.772000      0.4541000       3.797000 0.6565000       3.746000      0.6277000      0.5086000E-01  0.9083000
  1 1 1     -16    1   21 o    10.60000      0.2602000       10.40000 0.3671000       10.80000      0.3689000     -0.3997000      0.5204000
  1 1 1     -16    1   22 o    7.856000      0.2987000       7.933000 0.4244000       7.780000      0.4203000      0.1528000      0.5973000
  1 1 1     -16    1   23 o    13.77000      0.3849000       14.13000 0.5579000       13.40000      0.5304000      0.7325000      0.7698000
  1 1 1     -16    1   24 o    3.869000      0.6721000       4.811000 0.8842000       2.926000       1.012000       1.884000       1.344000
  1 1 1     -16    1   25 o    14.03000      0.2842000       13.84000 0.4003000       14.22000      0.4035000     -0.3795000      0.5684000
  1 1 1     -16    1   26 o    8.858000      0.4294000       8.893000 0.5869000       8.823000      0.6269000      0.7048000E-01  0.8588000
  1 1 1     -16    1   27 o    3.921000      0.5166000       3.775000 0.7486000       4.067000      0.7123000     -0.2921000       1.033000
  1 1 1     -16    1   28 o    1.565000      0.5155000       1.427000 0.6898000       1.703000      0.7663000     -0.2763000       1.031000
  1 1 1     -16    1   29 o    4.158000      0.5418000       4.171000 0.7850000       4.145000      0.7470000      0.2678000E-01   1.084000
  1 1 1     -16    1   30 o    8.242000      0.3379000       8.394000 0.4843000       8.091000      0.4713000      0.3033000      0.6758000
  1 1 1     -16    1   31 o    3.368000      0.6092000       2.970000 0.9065000       3.765000      0.8140000     -0.7949000       1.218000
  1 1 1     -16    1   32 o    2.730000      0.6408000       2.654000 0.9293000       2.806000      0.8824000     -0.1526000       1.282000
  1 1 1     -16    1   33 o    2.865000      0.6572000       2.999000 0.9633000       2.731000      0.8943000      0.2684000       1.314000
  1 1 1     -16    2    1 o    1.551000      0.4266000       1.453000 0.5832000       1.649000      0.6227000     -0.1963000      0.8532000
  1 1 1     -16    2    2 o    2.766000      0.3990000       2.510000 0.5664000       3.021000      0.5620000     -0.5109000      0.7979000
  1 1 1     -16    2    3 o    4.327000      0.2739000       4.497000 0.3514000       4.157000      0.4203000      0.3397000      0.5478000
  1 1 1     -16    2    4 o    8.224000      0.2155000       8.230000 0.2924000       8.217000      0.3165000      0.1297000E-01  0.4309000
  1 1 1     -16    2    5 o    7.325000      0.2215000       7.157000 0.2975000       7.492000      0.3282000     -0.3348000      0.4430000
  1 1 1     -16    2    6 o    12.25000      0.3161000       12.55000 0.4483000       11.95000      0.4457000      0.6001000      0.6321000
  1 1 1     -16    2    7 o    4.400000      0.2812000       4.218000 0.4041000       4.581000      0.3912000     -0.3630000      0.5624000
  1 1 1     -16    2    8 o    3.846000      0.3241000       4.176000 0.4147000       3.516000      0.4982000      0.6602000      0.6483000
  1 1 1     -16    2    9 o    8.260000      0.3099000       8.314000 0.4265000       8.205000      0.4498000      0.1090000      0.6198000
  1 1 1     -16    2   10 f    2.140000      0.5583000       2.151000 0.7629000       2.128000      0.8154000      0.2301000E-01   1.117000
  1 1 1     -16    2   11 o    6.210000      0.2540000       6.284000 0.3586000       6.135000      0.3600000      0.1492000      0.5081000
  1 1 1     -16    2   12 o    5.118000      0.2812000       4.777000 0.4160000       5.459000      0.3784000     -0.6821000      0.5624000
  1 1 1     -16    2   13 o    2.941000      0.4380000       3.006000 0.6094000       2.876000      0.6292000      0.1302000      0.8759000
  1 1 1     -16    2   14 o    15.98000      0.2675000       15.88000 0.3763000       16.07000      0.3804000     -0.1892000      0.5350000
  1 1 1     -16    2   15 o    13.60000      0.2503000       13.45000 0.3530000       13.74000      0.3549000     -0.2897000      0.5006000
  1 1 1     -16    2   16 o    12.60000      0.2429000       12.89000 0.3452000       12.31000      0.3417000      0.5870000      0.4858000
  1 1 1     -16    2   17 o    8.826000      0.2458000       9.249000 0.3468000       8.403000      0.3484000      0.8456000      0.4916000
  1 1 1     -16    2   18 o    4.627000      0.3633000       3.835000 0.5958000       5.420000      0.4159000      -1.585000      0.7266000
  1 1 1     -16    2   19 o    1.778000      0.4920000       1.424000 0.6478000       2.132000      0.7406000     -0.7082000      0.9840000
  1 1 1     -16    2   20 o    7.031000      0.2783000       7.660000 0.3737000       6.402000      0.4124000       1.258000      0.5566000
  1 1 1     -16    2   21 o    4.314000      0.4158000       4.280000 0.6122000       4.348000      0.5628000     -0.6894000E-01  0.8315000
  1 1 1     -16    2   22 o    12.20000      0.2703000       11.71000 0.3836000       12.69000      0.3809000     -0.9825000      0.5406000
  1 1 1     -16    2   23 o    4.920000      0.5189000       4.291000 0.8183000       5.550000      0.6385000      -1.259000       1.038000
  1 1 1     -16    2   24 o    12.94000      0.2759000       12.95000 0.3892000       12.92000      0.3913000      0.2742000E-01  0.5519000
  1 1 1     -16    2   25 o    15.71000      0.2877000       15.41000 0.4066000       16.01000      0.4070000     -0.5929000      0.5753000
  1 1 1     -16    2   26 o    12.75000      0.4285000       12.91000 0.5975000       12.59000      0.6144000      0.3186000      0.8570000
  1 1 1     -16    2   27 o    3.135000      0.6214000       3.163000 0.8811000       3.107000      0.8765000      0.5668000E-01   1.243000
  1 1 1     -16    2   28 o    7.934000      0.3199000       7.872000 0.4598000       7.997000      0.4450000     -0.1253000      0.6399000
  1 1 1     -16    2   29 o    2.529000      0.6145000       3.116000 0.9148000       1.941000      0.8207000       1.175000       1.229000
  1 1 1     -16    2   30 o    2.664000      0.6426000       2.577000 0.9281000       2.751000      0.8890000     -0.1735000       1.285000
  1 1 1     -16    2   31 o    6.630000      0.3648000       6.187000 0.5406000       7.074000      0.4900000     -0.8869000      0.7296000
  1 1 1     -16    2   32 o    3.276000      0.6368000       3.565000 0.8750000       2.987000      0.9256000      0.5784000       1.274000
  1 1 1     -16    2   33 o    2.504000       1.058000                  ?       ?   2.504000       1.058000                  ?              ?
  1 1 1     -16    3    1 o    6.709000      0.2145000       6.614000 0.2903000       6.804000      0.3159000     -0.1892000      0.4290000
  1 1 1     -16    3    2 o    6.409000      0.2216000       6.474000 0.2908000       6.344000      0.3344000      0.1306000      0.4431000
  1 1 1     -16    3    3 o    8.307000      0.2149000       8.685000 0.2874000       7.930000      0.3194000      0.7554000      0.4297000
  1 1 1     -16    3    4 o    10.70000      0.2171000       10.57000 0.2934000       10.83000      0.3200000     -0.2634000      0.4341000
  1 1 1     -16    3    5 o    8.454000      0.3125000       8.278000 0.4090000       8.629000      0.4725000     -0.3516000      0.6249000
  1 1 1     -16    3    6 o    2.177000      0.4679000       1.633000 0.6351000       2.721000      0.6872000      -1.088000      0.9357000
  1 1 1     -16    3    7 f    6.302000      0.2506000       6.617000 0.3229000       5.987000      0.3834000      0.6297000      0.5012000
  1 1 1     -16    3    8 o    8.836000      0.3187000       8.712000 0.4325000       8.959000      0.4684000     -0.2466000      0.6375000
  1 1 1     -16    3    9 o    1.982000      0.5594000       1.841000 0.7624000       2.122000      0.8189000     -0.2806000       1.119000
  1 1 1     -16    3   10 o    9.524000      0.2808000       9.558000 0.4396000       9.490000      0.3494000      0.6848000E-01  0.5616000
  1 1 1     -16    3   11 o    6.336000      0.2633000       6.435000 0.3506000       6.236000      0.3929000      0.1991000      0.5266000
  1 1 1     -16    3   12 o    3.911000      0.4453000       3.909000 0.5024000       3.914000      0.7354000     -0.4840000E-02  0.8906000
  1 1 1     -16    3   13 o    1.758000      0.4935000       1.906000 0.7314000       1.609000      0.6626000      0.2972000      0.9869000
  1 1 1     -16    3   14 o    12.48000      0.2439000       12.48000 0.3443000       12.48000      0.3457000     -0.3362000E-02  0.4879000
  1 1 1     -16    3   15 o    8.511000      0.2456000       8.363000 0.3494000       8.658000      0.3452000     -0.2947000      0.4912000
  1 1 1     -16    3   16 o    8.996000      0.2491000       9.722000 0.3481000       8.270000      0.3563000       1.452000      0.4982000
  1 1 1     -16    3   17 o    8.903000      0.2551000       8.745000 0.3704000       9.060000      0.3509000     -0.3149000      0.5102000
  1 1 1     -16    3   18 o    9.834000      0.2916000       10.02000 0.3534000       9.649000      0.4640000      0.3699000      0.5832000
  1 1 1     -16    3   19 o    8.032000      0.2674000       7.844000 0.3769000       8.220000      0.3795000     -0.3762000      0.5349000
  1 1 1     -16    3   20 o    2.832000      0.5565000       3.012000 0.7659000       2.652000      0.8076000      0.3604000       1.113000
  1 1 1     -16    3   21 o    8.961000      0.2737000       8.580000 0.3950000       9.342000      0.3791000     -0.7617000      0.5474000
  1 1 1     -16    3   22 o    7.316000      0.3705000       7.588000 0.5168000       7.043000      0.5310000      0.5450000      0.7410000
  1 1 1     -16    3   23 o    5.592000      0.3582000       5.097000 0.5536000       6.086000      0.4545000     -0.9883000      0.7163000
  1 1 1     -16    3   24 o    9.606000      0.2887000       9.791000 0.4099000       9.421000      0.4067000      0.3701000      0.5774000
  1 1 1     -16    3   25 o    6.175000      0.6010000       5.815000 0.8680000       6.535000      0.8314000     -0.7195000       1.202000
  1 1 1     -16    3   26 o    6.565000      0.3697000       6.225000 0.5433000       6.905000      0.5017000     -0.6801000      0.7395000
  1 1 1     -16    3   27 o    5.097000      0.4615000       5.226000 0.6514000       4.968000      0.6540000      0.2582000      0.9230000
  1 1 1     -16    3   28 o    5.437000      0.6306000       5.437000 0.6306000                  ?              ?              ?              ?
  1 1 1     -16    3   29 o    2.700000      0.6063000       3.414000 0.8791000       1.986000      0.8353000       1.428000       1.213000
  1 1 1     -16    3   30 o    2.021000      0.6271000       2.202000 0.9566000       1.840000      0.8112000      0.3617000       1.254000
  1 1 1     -16    3   31 o    1.937000      0.5895000       1.952000 0.8463000       1.922000      0.8208000      0.2990000E-01   1.179000
  1 1 1     -16    3   32 o    3.905000      0.5268000       3.463000 0.8254000       4.348000      0.6549000     -0.8850000       1.054000
  1 1 1     -16    4    1 o    2.276000      0.4513000       2.218000 0.6285000       2.334000      0.6479000     -0.1162000      0.9026000
  1 1 1     -16    4    2 o    10.71000      0.2141000       10.76000 0.2913000       10.65000      0.3138000      0.1136000      0.4281000
  1 1 1     -16    4    3 o    3.663000      0.3228000       3.562000 0.4286000       3.764000      0.4828000     -0.2021000      0.6456000
  1 1 1     -16    4    4 o    7.215000      0.3218000       6.713000 0.4357000       7.717000      0.4738000      -1.004000      0.6437000
  1 1 1     -16    4    5 o    7.083000      0.2276000       6.840000 0.3068000       7.325000      0.3363000     -0.4851000      0.4552000
  1 1 1     -16    4    6 o    5.433000      0.2664000       5.362000 0.3564000       5.505000      0.3961000     -0.1430000      0.5329000
  1 1 1     -16    4    7 o    7.044000      0.3489000       7.895000 0.4481000       6.194000      0.5349000       1.701000      0.6978000
  1 1 1     -16    4    8 o    9.959000      0.3156000       10.33000 0.4349000       9.583000      0.4573000      0.7516000      0.6311000
  1 1 1     -16    4    9 o    8.247000      0.2381000       8.365000 0.3196000       8.128000      0.3530000      0.2371000      0.4762000
  1 1 1     -16    4   10 o    11.91000      0.2396000       11.57000 0.3285000       12.26000      0.3488000     -0.6901000      0.4791000
  1 1 1     -16    4   11 o    4.519000      0.3366000       4.330000 0.4514000       4.708000      0.4993000     -0.3778000      0.6731000
  1 1 1     -16    4   12 o    5.054000      0.3074000       4.930000 0.3963000       5.179000      0.4701000     -0.2488000      0.6149000
  1 1 1     -16    4   13 o    3.176000      0.4707000       3.208000 0.6431000       3.144000      0.6875000      0.6423000E-01  0.9413000
  1 1 1     -16    4   14 o    6.271000      0.2846000       6.285000 0.3832000       6.257000      0.4208000      0.2738000E-01  0.5691000
  1 1 1     -16    4   15 o    5.071000      0.3242000       5.145000 0.4180000       4.997000      0.4958000      0.1487000      0.6485000
  1 1 1     -16    4   16 o    13.60000      0.2617000       14.14000 0.3646000       13.07000      0.3756000       1.068000      0.5235000
  1 1 1     -16    4   17 o    10.09000      0.2592000       10.28000 0.3460000       9.913000      0.3861000      0.3631000      0.5185000
  1 1 1     -16    4   18 o    13.57000      0.2723000       13.06000 0.3694000       14.08000      0.4001000      -1.022000      0.5445000
  1 1 1     -16    4   19 o    7.859000      0.2904000       7.636000 0.3770000       8.083000      0.4417000     -0.4469000      0.5807000
  1 1 1     -16    4   20 o    5.563000      0.3631000       5.922000 0.4673000       5.204000      0.5559000      0.7185000      0.7262000
  1 1 1     -16    4   22 f    4.186000      0.5725000       4.273000 0.5913000       4.100000      0.9806000      0.1724000       1.145000
  1 1 1     -16    4   23 o    11.36000      0.3414000       11.20000 0.3742000       11.51000      0.5711000     -0.3109000      0.6828000
  1 1 1     -16    4   24 o    3.698000      0.7113000       3.476000 1.009000       3.919000       1.003000     -0.4439000       1.423000
  1 1 1     -16    4   25 o    3.186000      0.5710000       2.748000 0.8600000       3.623000      0.7513000     -0.8749000       1.142000
  1 1 1     -16    4   26 o    6.282000      0.3722000       5.572000 0.5820000       6.992000      0.4642000      -1.420000      0.7444000
  1 1 1     -16    4   27 o    2.439000      0.6140000       2.052000 0.8509000       2.827000      0.8854000     -0.7751000       1.228000
  1 1 1     -16    4   28 o    6.809000      0.5119000       6.809000 0.5119000                  ?              ?              ?              ?
  1 1 1     -16    4   29 o    4.171000      0.5197000       4.484000 0.6950000       3.858000      0.7729000      0.6261000       1.039000
  1 1 1     -16    4   30 f    3.480000      0.7840000                  ?       ?   3.480000      0.7840000                  ?              ?
  1 1 1     -16    4   31 o    5.907000      0.4913000       5.037000 0.6597000       6.777000      0.7282000      -1.740000      0.9826000
  1 1 1     -16    4   32 o    3.939000      0.5283000       3.829000 0.8016000       4.049000      0.6884000     -0.2203000       1.057000
  1 1 1     -16    5    1 o    7.033000      0.3213000                  ?       ?   7.033000      0.3213000                  ?              ?
  1 1 1     -16    5    2 o    6.533000      0.3191000       6.125000 0.4242000       6.941000      0.4769000     -0.8168000      0.6382000
  1 1 1     -16    5    3 o    12.39000      0.3213000       12.65000 0.4397000       12.12000      0.4686000      0.5298000      0.6426000
  1 1 1     -16    5    4 o    2.164000      0.4791000       2.117000 0.6475000       2.210000      0.7063000     -0.9318000E-01  0.9582000
  1 1 1     -16    5    5 o    6.053000      0.2415000       5.861000 0.3268000       6.244000      0.3557000     -0.3827000      0.4830000
  1 1 1     -16    5    6 o    4.299000      0.4417000       3.727000 0.6925000       4.870000      0.5486000      -1.143000      0.8835000
  1 1 1     -16    5    7 o    6.421000      0.2998000       6.613000 0.3438000       6.229000      0.4912000      0.3846000      0.5996000
  1 1 1     -16    5    8 o    5.819000      0.2707000       6.307000 0.3411000       5.331000      0.4204000      0.9759000      0.5414000
  1 1 1     -16    5    9 o    9.211000      0.2348000       8.920000 0.3159000       9.502000      0.3474000     -0.5821000      0.4695000
  1 1 1     -16    5   10 o    13.05000      0.2435000       12.83000 0.3345000       13.26000      0.3541000     -0.4296000      0.4871000
  1 1 1     -16    5   11 o    2.049000      0.4527000       2.736000 0.6574000       1.362000      0.6224000       1.374000      0.9053000
  1 1 1     -16    5   12 o    5.235000      0.3122000       5.035000 0.4091000       5.434000      0.4717000     -0.3982000      0.6243000
  1 1 1     -16    5   13 o    5.004000      0.3247000       5.487000 0.3920000       4.521000      0.5179000      0.9659000      0.6495000
  1 1 1     -16    5   14 o    1.949000      0.5300000       1.968000 0.7329000       1.930000      0.7657000      0.3758000E-01   1.060000
  1 1 1     -16    5   15 o    5.799000      0.3072000       6.069000 0.3990000       5.529000      0.4672000      0.5402000      0.6144000
  1 1 1     -16    5   16 o    19.20000      0.3093000       19.37000 0.4300000       19.04000      0.4447000      0.3316000      0.6186000
  1 1 1     -16    5   17 o    8.163000      0.2782000       7.297000 0.3923000       9.030000      0.3945000      -1.733000      0.5563000
  1 1 1     -16    5   18 o    3.099000      0.5590000       2.841000 0.7667000       3.357000      0.8138000     -0.5168000       1.118000
  1 1 1     -16    5   19 o    11.98000      0.2712000       11.88000 0.3664000       12.08000      0.3998000     -0.2014000      0.5423000
  1 1 1     -16    5   20 f    10.13000      0.3912000       10.08000 0.4935000       10.18000      0.6072000     -0.9255000E-01  0.7824000
  1 1 1     -16    5   21 o    13.08000      0.4089000       13.40000 0.5362000       12.77000      0.6174000      0.6303000      0.8178000
  1 1 1     -16    5   22 f    4.505000      0.4919000       3.678000 0.7580000       5.332000      0.6271000      -1.653000      0.9838000
  1 1 1     -16    5   23 o    10.27000      0.4183000       9.452000 0.5902000       11.09000      0.5929000      -1.637000      0.8365000
  1 1 1     -16    5   24 o    7.408000      0.4404000       7.833000 0.4362000       6.982000      0.7651000      0.8509000      0.8807000
  1 1 1     -16    5   25 o    1.961000      0.6088000       1.726000 0.7850000       2.197000      0.9308000     -0.4705000       1.218000
  1 1 1     -16    5   26 o    6.676000      0.3960000       6.548000 0.5229000       6.804000      0.5948000     -0.2562000      0.7920000
  1 1 1     -16    5   27 o    4.095000      0.5859000       3.635000 0.7753000       4.554000      0.8786000     -0.9191000       1.172000
  1 1 1     -16    5   28 o    9.961000      0.3289000       10.16000 0.4101000       9.762000      0.5141000      0.3963000      0.6577000
  1 1 1     -16    5   29 o    3.894000      0.5976000       4.171000 0.7241000       3.618000      0.9508000      0.5530000       1.195000
  1 1 1     -16    5   30 o    2.593000      0.6250000       1.843000 0.8552000       3.342000      0.9118000      -1.499000       1.250000
  1 1 1     -16    5   31 o    5.235000      0.4441000       5.380000 0.6117000       5.090000      0.6439000      0.2903000      0.8881000
  1 1 1     -16    6    1 o    5.754000      0.3438000       5.293000 0.4575000       6.214000      0.5134000     -0.9207000      0.6877000
  1 1 1     -16    6    2 o    15.44000      0.3537000       15.02000 0.4796000       15.86000      0.5200000     -0.8342000      0.7074000
  1 1 1     -16    6    3 o    10.84000      0.2291000       10.74000 0.3259000       10.93000      0.3220000     -0.1845000      0.4582000
  1 1 1     -16    6    4 o    4.085000      0.3350000       3.854000 0.5004000       4.315000      0.4455000     -0.4611000      0.6699000
  1 1 1     -16    6    5 o    8.306000      0.3411000       8.254000 0.5181000       8.358000      0.4439000     -0.1048000      0.6822000
  1 1 1     -16    6    6 o    1.478000      0.4641000       1.350000 0.6328000       1.607000      0.6791000     -0.2569000      0.9282000
  1 1 1     -16    6    7 o    3.452000      0.4358000       4.172000 0.4621000       2.733000      0.7391000       1.439000      0.8716000
  1 1 1     -16    6    8 o    4.610000      0.3120000       4.657000 0.3998000       4.563000      0.4791000      0.9402000E-01  0.6240000
  1 1 1     -16    6    9 o    7.350000      0.2452000       7.262000 0.3200000       7.438000      0.3715000     -0.1766000      0.4903000
  1 1 1     -16    6   10 o    4.125000      0.3629000       4.124000 0.4845000       4.126000      0.5405000     -0.1843000E-02  0.7259000
  1 1 1     -16    6   11 o    5.824000      0.2830000       5.918000 0.3746000       5.730000      0.4242000      0.1876000      0.5659000
  1 1 1     -16    6   12 o    8.162000      0.2517000       8.694000 0.3359000       7.631000      0.3749000       1.063000      0.5034000
  1 1 1     -16    6   13 o    6.277000      0.2870000       6.467000 0.3799000       6.087000      0.4301000      0.3791000      0.5739000
  1 1 1     -16    6   14 o    6.902000      0.2675000       6.518000 0.3598000       7.286000      0.3959000     -0.7675000      0.5350000
  1 1 1     -16    6   15 o    4.780000      0.3557000       4.724000 0.4804000       4.837000      0.5246000     -0.1131000      0.7114000
  1 1 1     -16    6   16 o    15.70000      0.2811000       16.10000 0.3897000       15.30000      0.4053000      0.8018000      0.5623000
  1 1 1     -16    6   17 o    2.364000      0.5504000       2.731000 0.7392000       1.996000      0.8158000      0.7354000       1.101000
  1 1 1     -16    6   18 o    17.37000      0.2982000       17.16000 0.4094000       17.58000      0.4336000     -0.4165000      0.5964000
  1 1 1     -16    6   19 o    8.250000      0.4261000       8.402000 0.5334000       8.098000      0.6647000      0.3035000      0.8522000
  1 1 1     -16    6   20 o    7.076000      0.4553000       6.670000 0.5530000       7.482000      0.7234000     -0.8114000      0.9106000
  1 1 1     -16    6   21 f    7.512000      0.3330000       7.455000 0.4282000       7.568000      0.5100000     -0.1127000      0.6659000
  1 1 1     -16    6   22 o    6.048000      0.5135000       5.343000 0.7607000       6.752000      0.6901000      -1.410000       1.027000
  1 1 1     -16    6   23 o    4.686000      0.6361000       3.794000 0.9745000       5.579000      0.8178000      -1.785000       1.272000
  1 1 1     -16    6   24 o    3.957000      0.5885000       4.425000 0.6873000       3.490000      0.9554000      0.9354000       1.177000
  1 1 1     -16    6   25 o    5.705000      0.4272000       5.533000 0.5435000       5.877000      0.6593000     -0.3440000      0.8544000
  1 1 1     -16    6   26 o    7.725000      0.3619000       8.445000 0.4335000       7.005000      0.5797000       1.440000      0.7239000
  1 1 1     -16    6   27 o    4.146000      0.5757000       3.806000 0.7770000       4.486000      0.8498000     -0.6803000       1.151000
  1 1 1     -16    6   28 o    7.235000      0.3716000       7.497000 0.4694000       6.973000      0.5761000      0.5240000      0.7431000
  1 1 1     -16    6   29 o    2.289000      0.6257000       1.833000 0.8114000       2.745000      0.9528000     -0.9119000       1.251000
  1 1 1     -16    6   30 o    4.090000      0.5721000       4.002000 0.8319000       4.178000      0.7856000     -0.1759000       1.144000
  1 1 1     -16    6   31 o    2.413000      0.6401000       2.222000 0.9036000       2.603000      0.9068000     -0.3812000       1.280000
  1 1 1     -16    7    1 o    14.42000      0.2451000       14.37000 0.3475000       14.47000      0.3458000     -0.9838000E-01  0.4902000
  1 1 1     -16    7    2 o    9.508000      0.2237000       9.565000 0.3197000       9.451000      0.3129000      0.1146000      0.4473000
  1 1 1     -16    7    3 o    11.22000      0.3411000       11.21000 0.5191000       11.23000      0.4427000     -0.1664000E-01  0.6823000
  1 1 1     -16    7    4 o    7.646000      0.3530000       7.684000 0.5337000       7.608000      0.4620000      0.7642000E-01  0.7059000
  1 1 1     -16    7    5 o    8.586000      0.2370000       8.713000 0.3341000       8.459000      0.3363000      0.2538000      0.4740000
  1 1 1     -16    7    6 f    8.513000      0.2701000       9.002000 0.4131000       8.025000      0.3482000      0.9765000      0.5402000
  1 1 1     -16    7    7 o    2.091000      0.5318000       2.162000 0.7506000       2.020000      0.7534000      0.1417000       1.064000
  1 1 1     -16    7    8 o    1.760000      0.4889000       1.519000 0.6483000       2.000000      0.7318000     -0.4817000      0.9777000
  1 1 1     -16    7    9 o    10.17000      0.2339000       10.12000 0.3155000       10.21000      0.3455000     -0.8462000E-01  0.4679000
  1 1 1     -16    7   10 o    13.28000      0.2495000       13.13000 0.3399000       13.44000      0.3653000     -0.3143000      0.4990000
  1 1 1     -16    7   11 o    6.484000      0.2797000       7.298000 0.3412000       5.671000      0.4432000       1.627000      0.5593000
  1 1 1     -16    7   12 o    6.464000      0.2847000       6.694000 0.3543000       6.235000      0.4457000      0.4587000      0.5693000
  1 1 1     -16    7   13 o    9.041000      0.2455000       9.165000 0.3278000       8.917000      0.3655000      0.2483000      0.4910000
  1 1 1     -16    7   14 o    11.58000      0.2509000       11.96000 0.3425000       11.20000      0.3667000      0.7586000      0.5018000
  1 1 1     -16    7   15 o    10.38000      0.2595000       10.70000 0.3412000       10.07000      0.3910000      0.6293000      0.5190000
  1 1 1     -16    7   16 o    17.14000      0.2938000       17.36000 0.4060000       16.93000      0.4247000      0.4237000      0.5876000
  1 1 1     -16    7   17 o    13.22000      0.2697000       13.41000 0.3699000       13.02000      0.3927000      0.3903000      0.5394000
  1 1 1     -16    7   18 o    7.305000      0.4340000       7.163000 0.5523000       7.446000      0.6697000     -0.2825000      0.8680000
  1 1 1     -16    7   19 o    7.703000      0.3009000       7.831000 0.3934000       7.576000      0.4553000      0.2555000      0.6017000
  1 1 1     -16    7   20 o    7.000000      0.3120000       6.770000 0.4040000       7.230000      0.4757000     -0.4607000      0.6241000
  1 1 1     -16    7   21 o    3.011000      0.7101000       2.772000 1.011000       3.250000      0.9971000     -0.4784000       1.420000
  1 1 1     -16    7   22 o    4.303000      0.5548000       3.996000 0.5690000       4.611000      0.9526000     -0.6147000       1.110000
  1 1 1     -16    7   23 o    3.543000      0.6265000       2.969000 0.9076000       4.117000      0.8639000      -1.148000       1.253000
  1 1 1     -16    7   24 o    2.652000      0.6588000       2.260000 0.8677000       3.044000      0.9916000     -0.7845000       1.318000
  1 1 1     -16    7   25 o    2.295000      0.6344000       2.194000 0.8356000       2.397000      0.9548000     -0.2032000       1.269000
  1 1 1     -16    7   26 o    3.194000      0.6552000       3.100000 0.8877000       3.288000      0.9638000     -0.1881000       1.310000
  1 1 1     -16    7   27 f    3.208000      0.6000000       4.024000 0.7498000       2.391000      0.9370000       1.633000       1.200000
  1 1 1     -16    7   28 o    5.065000      0.4744000       4.727000 0.6741000       5.403000      0.6678000     -0.6769000      0.9488000
  1 1 1     -16    7   29 o    1.952000      0.5779000       2.360000 0.8970000       1.543000      0.7289000      0.8172000       1.156000
  1 1 1     -16    7   30 o    1.949000      0.5868000       2.239000 0.8903000       1.660000      0.7647000      0.5791000       1.174000
  1 1 1     -16    8    1 o    11.84000      0.2964000       11.86000 0.5016000       11.83000      0.3161000      0.3313000E-01  0.5929000
  1 1 1     -16    8    2 o    8.599000      0.3608000       8.714000 0.5485000       8.484000      0.4688000      0.2302000      0.7216000
  1 1 1     -16    8    3 o    18.14000      0.2856000       18.20000 0.4051000       18.09000      0.4026000      0.1076000      0.5711000
  1 1 1     -16    8    4 o    2.639000      0.4920000       2.406000 0.7034000       2.871000      0.6883000     -0.4654000      0.9841000
  1 1 1     -16    8    5 o    10.77000      0.2344000       10.52000 0.3342000       11.02000      0.3287000     -0.5015000      0.4687000
  1 1 1     -16    8    6 o    4.980000      0.3194000       4.740000 0.4737000       5.219000      0.4285000     -0.4787000      0.6388000
  1 1 1     -16    8    7 o    3.748000      0.4200000       3.872000 0.5381000       3.625000      0.6450000      0.2470000      0.8400000
  1 1 1     -16    8    8 o    3.451000      0.4548000       2.825000 0.7307000       4.078000      0.5416000      -1.253000      0.9096000
  1 1 1     -16    8    9 f    13.20000      0.2564000       13.25000 0.3620000       13.16000      0.3632000      0.8719000E-01  0.5128000
  1 1 1     -16    8   10 o    5.729000      0.3176000       6.219000 0.4222000       5.238000      0.4745000      0.9810000      0.6351000
  1 1 1     -16    8   11 o    9.685000      0.2928000       9.650000 0.4534000       9.720000      0.3706000     -0.7063000E-01  0.5856000
  1 1 1     -16    8   12 o    12.06000      0.2482000       11.99000 0.3339000       12.13000      0.3672000     -0.1352000      0.4963000
  1 1 1     -16    8   13 o    9.649000      0.2561000       9.865000 0.3371000       9.432000      0.3856000      0.4326000      0.5122000
  1 1 1     -16    8   14 o    6.482000      0.2981000       6.476000 0.3865000       6.488000      0.4540000     -0.1198000E-01  0.5962000
  1 1 1     -16    8   15 o    5.853000      0.3351000       5.908000 0.4332000       5.798000      0.5113000      0.1097000      0.6701000
  1 1 1     -16    8   16 o    10.39000      0.2684000       10.34000 0.3577000       10.44000      0.4004000     -0.9744000E-01  0.5369000
  1 1 1     -16    8   17 o    4.083000      0.6685000       4.096000 0.8445000       4.071000       1.037000      0.2531000E-01   1.337000
  1 1 1     -16    8   18 o    6.571000      0.3282000       7.040000 0.3936000       6.102000      0.5252000      0.9376000      0.6563000
  1 1 1     -16    8   19 o    11.52000      0.2813000       11.69000 0.3701000       11.35000      0.4238000      0.3408000      0.5627000
  1 1 1     -16    8   20 o    5.316000      0.5564000       4.497000 0.8625000       6.135000      0.7031000      -1.637000       1.113000
  1 1 1     -16    8   21 o    2.325000      0.5621000       1.602000 0.7181000       3.049000      0.8649000      -1.447000       1.124000
  1 1 1     -16    8   22 o    4.448000      0.5259000       5.089000 0.5907000       3.806000      0.8703000       1.284000       1.052000
  1 1 1     -16    8   23 o    2.440000      0.6482000       2.414000 0.8699000       2.466000      0.9611000     -0.5182000E-01   1.296000
  1 1 1     -16    8   24 o    6.014000      0.4208000       6.091000 0.5133000       5.938000      0.6670000      0.1525000      0.8417000
  1 1 1     -16    8   25 o    1.984000      0.5968000       1.926000 0.8099000       2.042000      0.8767000     -0.1165000       1.194000
  1 1 1     -16    8   26 o    3.051000      0.6347000       3.296000 0.8037000       2.806000      0.9827000      0.4901000       1.269000
  1 1 1     -16    8   27 o    4.425000      0.5381000       4.234000 0.7622000       4.615000      0.7596000     -0.3819000       1.076000
  1 1 1     -16    8   28 o    2.362000      0.6288000       2.722000 0.9100000       2.003000      0.8681000      0.7181000       1.258000
  1 1 1     -16    8   29 o    2.398000      0.9056000       2.398000 0.9056000                  ?              ?              ?              ?
  1 1 1     -16    8   30 o    2.154000      0.6146000       1.929000 0.8227000       2.378000      0.9131000     -0.4483000       1.229000
  1 1 1     -16    9    1 o    6.684000      0.3191000       6.789000 0.4156000       6.579000      0.4843000      0.2096000      0.6382000
  1 1 1     -16    9    2 o    11.66000      0.3272000                  ?       ?   11.66000      0.3272000                  ?              ?
  1 1 1     -16    9    3 o    12.73000      0.2370000       12.82000 0.3349000       12.64000      0.3353000      0.1785000      0.4739000
  1 1 1     -16    9    4 o    7.224000      0.2461000       7.618000 0.3468000       6.830000      0.3493000      0.7877000      0.4922000
  1 1 1     -16    9    5 o    8.556000      0.2385000       8.576000 0.3440000       8.537000      0.3306000      0.3917000E-01  0.4771000
  1 1 1     -16    9    6 o    7.092000      0.2556000       7.025000 0.3491000       7.158000      0.3733000     -0.1331000      0.5111000
  1 1 1     -16    9    7 o    10.94000      0.2429000       11.18000 0.3440000       10.71000      0.3429000      0.4681000      0.4858000
  1 1 1     -16    9    8 o    7.699000      0.2595000       8.010000 0.3509000       7.388000      0.3824000      0.6219000      0.5190000
  1 1 1     -16    9    9 o    4.624000      0.3603000       4.930000 0.4699000       4.318000      0.5463000      0.6124000      0.7206000
  1 1 1     -16    9   10 o    3.435000      0.4723000       3.430000 0.6173000       3.439000      0.7149000     -0.8631000E-02  0.9446000
  1 1 1     -16    9   11 o    5.450000      0.3267000       5.595000 0.4582000       5.306000      0.4659000      0.2891000      0.6535000
  1 1 1     -16    9   12 o    1.967000      0.5569000       1.952000 0.7765000       1.982000      0.7984000     -0.2992000E-01   1.114000
  1 1 1     -16    9   13 o    12.58000      0.2691000       12.28000 0.3813000       12.88000      0.3799000     -0.5975000      0.5383000
  1 1 1     -16    9   14 o    2.165000      0.5626000       2.063000 0.7349000       2.267000      0.8522000     -0.2036000       1.125000
  1 1 1     -16    9   15 o    4.644000      0.4029000       5.036000 0.4481000       4.253000      0.6698000      0.7837000      0.8059000
  1 1 1     -16    9   16 o    9.380000      0.3937000       9.300000 0.4931000       9.460000      0.6138000     -0.1597000      0.7873000
  1 1 1     -16    9   17 o    14.96000      0.2803000       15.02000 0.3839000       14.90000      0.4086000      0.1184000      0.5607000
  1 1 1     -16    9   18 o    4.267000      0.4419000       3.994000 0.5692000       4.540000      0.6762000     -0.5454000      0.8838000
  1 1 1     -16    9   19 o    9.289000      0.3995000       9.459000 0.5420000       9.120000      0.5870000      0.3392000      0.7990000
  1 1 1     -16    9   20 o    7.376000      0.3412000       7.653000 0.4152000       7.099000      0.5416000      0.5536000      0.6825000
  1 1 1     -16    9   21 o    2.451000      0.5760000       3.094000 0.8160000       1.809000      0.8133000       1.284000       1.152000
  1 1 1     -16    9   22 o    7.785000      0.3325000       7.676000 0.4353000       7.894000      0.5028000     -0.2183000      0.6650000
  1 1 1     -16    9   23 o    2.673000      0.6682000       2.378000 0.8783000       2.968000       1.007000     -0.5907000       1.336000
  1 1 1     -16    9   24 o    5.258000      0.4637000       5.283000 0.5681000       5.233000      0.7330000      0.5022000E-01  0.9273000
  1 1 1     -16    9   25 o    2.311000      0.6353000       2.020000 0.8323000       2.603000      0.9601000     -0.5829000       1.271000
  1 1 1     -16    9   26 o    2.585000      0.6259000       2.033000 0.8356000       3.137000      0.9323000      -1.104000       1.252000
  1 1 1     -16    9   27 o    5.773000      0.4108000       5.837000 0.5186000       5.710000      0.6372000      0.1270000      0.8216000
  1 1 1     -16    9   28 o    3.340000      0.6293000       2.487000 0.9214000       4.194000      0.8575000      -1.707000       1.259000
  1 1 1     -16    9   29 o    2.657000      0.9263000       2.657000 0.9263000                  ?              ?              ?              ?
  1 1 1     -16   10    1 o    4.986000      0.2905000       5.146000 0.3849000       4.826000      0.4354000      0.3198000      0.5811000
  1 1 1     -16   10    2 o    7.409000      0.2334000       7.360000 0.3175000       7.458000      0.3422000     -0.9750000E-01  0.4669000
  1 1 1     -16   10    3 o    6.167000      0.2577000       6.218000 0.3697000       6.117000      0.3589000      0.1004000      0.5153000
  1 1 1     -16   10    4 o    2.025000      0.5122000       2.017000 0.7322000       2.032000      0.7165000     -0.1473000E-01   1.024000
  1 1 1     -16   10    5 o    12.60000      0.2424000       12.65000 0.3428000       12.56000      0.3428000      0.9238000E-01  0.4848000
  1 1 1     -16   10    6 o    16.56000      0.2744000       16.21000 0.3850000       16.91000      0.3910000     -0.6994000      0.5487000
  1 1 1     -16   10    7 o    11.51000      0.2417000       11.43000 0.3425000       11.60000      0.3412000     -0.1687000      0.4835000
  1 1 1     -16   10    8 o    8.207000      0.2608000       8.021000 0.3727000       8.392000      0.3648000     -0.3711000      0.5215000
  1 1 1     -16   10    9 o    7.765000      0.2608000       8.042000 0.3707000       7.487000      0.3668000      0.5553000      0.5215000
  1 1 1     -16   10   10 f    4.266000      0.4166000       4.669000 0.5071000       3.863000      0.6612000      0.8062000      0.8332000
  1 1 1     -16   10   11 o    7.984000      0.2783000       8.378000 0.3942000       7.589000      0.3929000      0.7893000      0.5566000
  1 1 1     -16   10   12 o    8.024000      0.2859000       7.957000 0.4029000       8.092000      0.4056000     -0.1347000      0.5717000
  1 1 1     -16   10   13 o    2.228000      0.5719000       2.162000 0.7952000       2.294000      0.8222000     -0.1324000       1.144000
  1 1 1     -16   10   14 o    6.757000      0.4181000       6.161000 0.5314000       7.353000      0.6457000      -1.192000      0.8362000
  1 1 1     -16   10   15 o    3.842000      0.6506000       4.177000 0.7570000       3.507000       1.058000      0.6703000       1.301000
  1 1 1     -16   10   16 o    14.81000      0.2778000       14.97000 0.3797000       14.65000      0.4055000      0.3201000      0.5555000
  1 1 1     -16   10   17 o    10.44000      0.3353000       10.04000 0.5312000       10.84000      0.4093000     -0.8004000      0.6706000
  1 1 1     -16   10   18 o    5.845000      0.4911000       6.145000 0.6252000       5.546000      0.7576000      0.5988000      0.9823000
  1 1 1     -16   10   19 f    7.130000      0.3436000       7.531000 0.4170000       6.729000      0.5462000      0.8018000      0.6872000
  1 1 1     -16   10   20 o    2.991000      0.6133000       2.392000 0.8247000       3.591000      0.9080000      -1.198000       1.227000
  1 1 1     -16   10   21 o    1.927000      0.5772000       2.033000 0.8179000       1.821000      0.8146000      0.2119000       1.154000
  1 1 1     -16   10   22 o    5.360000      0.4376000       4.979000 0.5901000       5.742000      0.6463000     -0.7629000      0.8752000
  1 1 1     -16   10   23 o    4.256000      0.5659000       3.710000 0.7779000       4.802000      0.8222000      -1.092000       1.132000
  1 1 1     -16   10   24 o    6.210000      0.4011000       5.563000 0.5639000       6.857000      0.5705000      -1.293000      0.8021000
  1 1 1     -16   10   25 o    3.234000      0.6189000       2.682000 0.8710000       3.786000      0.8796000      -1.104000       1.238000
  1 1 1     -16   10   26 o    2.476000      0.6527000       2.254000 0.8746000       2.699000      0.9692000     -0.4452000       1.305000
  1 1 1     -16   10   27 o    3.246000      0.6530000       3.701000 0.8588000       2.791000      0.9840000      0.9098000       1.306000
  1 1 1     -16   10   28 o    4.378000      0.5345000       5.023000 0.5969000       3.733000      0.8869000       1.291000       1.069000
  1 1 1     -16   11    1 o    3.044000      0.4502000       2.635000 0.6775000       3.453000      0.5931000     -0.8186000      0.9004000
  1 1 1     -16   11    2 o    1.783000      0.4999000       1.735000 0.6975000       1.831000      0.7162000     -0.9544000E-01  0.9998000
  1 1 1     -16   11    3 o    5.014000      0.3027000       5.232000 0.4174000       4.796000      0.4384000      0.4361000      0.6053000
  1 1 1     -16   11    4 o    1.824000      0.4915000       2.177000 0.7374000       1.472000      0.6501000      0.7053000      0.9830000
  1 1 1     -16   11    5 o    7.745000      0.2485000       7.862000 0.3478000       7.629000      0.3549000      0.2333000      0.4969000
  1 1 1     -16   11    6 o    11.55000      0.2418000       11.68000 0.3456000       11.42000      0.3383000      0.2667000      0.4836000
  1 1 1     -16   11    7 o    6.349000      0.3339000       6.023000 0.3930000       6.676000      0.5398000     -0.6529000      0.6677000
  1 1 1     -16   11    8 o    2.789000      0.5501000       2.774000 0.7630000       2.805000      0.7928000     -0.3093000E-01   1.100000
  1 1 1     -16   11    9 o    3.201000      0.5047000       3.326000 0.7115000       3.076000      0.7160000      0.2504000       1.009000
  1 1 1     -16   11   10 o    7.759000      0.2811000       7.819000 0.3967000       7.699000      0.3984000      0.1201000      0.5622000
  1 1 1     -16   11   11 o    3.507000      0.5028000       3.114000 0.7592000       3.900000      0.6596000     -0.7862000       1.006000
  1 1 1     -16   11   12 o    2.353000      0.5616000       1.748000 0.7447000       2.958000      0.8408000      -1.211000       1.123000
  1 1 1     -16   11   13 f    2.619000      0.6607000       2.554000 0.8657000       2.684000      0.9982000     -0.1301000       1.321000
  1 1 1     -16   11   14 o    7.154000      0.3179000       7.200000 0.4290000       7.108000      0.4694000      0.9258000E-01  0.6359000
  1 1 1     -16   11   15 o    6.832000      0.3302000       6.634000 0.4721000       7.030000      0.4619000     -0.3964000      0.6604000
  1 1 1     -16   11   16 o    6.764000      0.6417000       5.803000 1.094000       7.725000      0.6714000      -1.921000       1.283000
  1 1 1     -16   11   17 o    8.818000      0.4824000       8.532000 0.7786000       9.104000      0.5696000     -0.5722000      0.9647000
  1 1 1     -16   11   18 o    3.444000      0.5549000       3.580000 0.6586000       3.308000      0.8933000      0.2719000       1.110000
  1 1 1     -16   11   19 o    8.299000      0.3165000       8.506000 0.3992000       8.091000      0.4912000      0.4157000      0.6330000
  1 1 1     -16   11   20 o    9.253000      0.3039000       8.906000 0.3976000       9.600000      0.4597000     -0.6941000      0.6078000
  1 1 1     -16   11   21 o    9.721000      0.3151000       10.29000 0.3975000       9.151000      0.4890000       1.139000      0.6302000
  1 1 1     -16   11   22 o    2.502000      0.6588000       2.240000 0.8672000       2.764000      0.9919000     -0.5240000       1.318000
  1 1 1     -16   11   23 o    4.272000      0.5284000       3.975000 0.7225000       4.568000      0.7712000     -0.5923000       1.057000
  1 1 1     -16   11   24 o    3.523000      0.6100000       3.497000 0.7727000       3.549000      0.9440000     -0.5189000E-01   1.220000
  1 1 1     -16   11   25 o    2.289000      0.6473000       2.066000 0.8486000       2.512000      0.9776000     -0.4457000       1.295000
  1 1 1     -16   11   26 o    3.919000      0.5866000       3.970000 0.7694000       3.869000      0.8856000      0.1011000       1.173000
  1 1 1     -16   11   27 o    3.389000      0.6292000       3.216000 0.8945000       3.561000      0.8852000     -0.3447000       1.258000
  1 1 1     -16   12    1 o    5.452000      0.2687000       5.880000 0.3785000       5.024000      0.3815000      0.8555000      0.5375000
  1 1 1     -16   12    2 o    3.458000      0.4136000       3.501000 0.5474000       3.414000      0.6202000      0.8711000E-01  0.8272000
  1 1 1     -16   12    3 o    6.050000      0.4490000       5.386000 0.8207000       6.714000      0.3646000      -1.329000      0.8980000
  1 1 1     -16   12    4 o    4.706000      0.3335000       4.524000 0.4874000       4.888000      0.4554000     -0.3640000      0.6671000
  1 1 1     -16   12    5 o    2.413000      0.5121000       2.770000 0.6964000       2.057000      0.7511000      0.7129000       1.024000
  1 1 1     -16   12    6 o    6.667000      0.2818000       6.559000 0.3970000       6.775000      0.4001000     -0.2164000      0.5636000
  1 1 1     -16   12    7 f    17.04000      0.2854000       16.93000 0.4094000       17.14000      0.3977000     -0.2132000      0.5708000
  1 1 1     -16   12    8 o    11.50000      0.2546000       11.34000 0.3618000       11.67000      0.3582000     -0.3298000      0.5091000
  1 1 1     -16   12    9 o    4.845000      0.3737000       4.682000 0.5559000       5.008000      0.4996000     -0.3253000      0.7474000
  1 1 1     -16   12   10 o    6.458000      0.3067000       6.616000 0.4243000       6.301000      0.4429000      0.3147000      0.6133000
  1 1 1     -16   12   11 o    2.068000      0.6079000       1.968000 0.7925000       2.167000      0.9220000     -0.1985000       1.216000
  1 1 1     -16   12   12 o    3.810000      0.6113000       4.559000 0.6974000       3.062000       1.004000       1.497000       1.223000
  1 1 1     -16   12   13 o    4.822000      0.4188000       5.148000 0.5409000       4.496000      0.6395000      0.6523000      0.8376000
  1 1 1     -16   12   14 o    7.866000      0.2997000       7.507000 0.4193000       8.225000      0.4282000     -0.7182000      0.5993000
  1 1 1     -16   12   15 o    4.038000      0.8049000       4.783000 1.246000       3.294000       1.020000       1.488000       1.610000
  1 1 1     -16   12   16 o    1.732000      0.5328000       2.094000 0.8333000       1.370000      0.6642000      0.7241000       1.066000
  1 1 1     -16   12   17 o    5.207000      0.4420000       5.702000 0.5620000       4.711000      0.6824000      0.9909000      0.8840000
  1 1 1     -16   12   18 o    5.483000      0.4417000       5.284000 0.6011000       5.682000      0.6472000     -0.3988000      0.8833000
  1 1 1     -16   12   19 o    9.313000      0.3230000       9.350000 0.4586000       9.277000      0.4551000      0.7330000E-01  0.6460000
  1 1 1     -16   12   20 o    10.21000      0.2979000       10.50000 0.3854000       9.918000      0.4543000      0.5807000      0.5958000
  1 1 1     -16   12   21 o    7.086000      0.3738000       7.277000 0.4503000       6.894000      0.5967000      0.3824000      0.7476000
  1 1 1     -16   12   22 o    4.620000      0.5026000       4.736000 0.6008000       4.505000      0.8060000      0.2314000       1.005000
  1 1 1     -16   12   23 o    4.601000      0.5123000       4.310000 0.7184000       4.891000      0.7304000     -0.5817000       1.025000
  1 1 1     -16   12   24 o    3.592000      0.6124000       3.539000 0.8019000       3.645000      0.9257000     -0.1058000       1.225000
  1 1 1     -16   12   25 o    3.018000      0.6492000       3.339000 0.8919000       2.698000      0.9437000      0.6414000       1.298000
  1 1 1     -16   12   26 o    2.185000      0.5891000       2.608000 0.8652000       1.762000      0.7997000      0.8464000       1.178000
  1 1 1     -16   12   27 o    2.742000      0.7041000       2.393000 1.019000       3.090000      0.9722000     -0.6970000       1.408000
  1 1 1     -16   13    1 o    7.640000      0.3505000       7.640000 0.3505000                  ?              ?              ?              ?
  1 1 1     -16   13    2 o    5.470000      0.2886000       5.102000 0.4344000       5.837000      0.3800000     -0.7358000      0.5772000
  1 1 1     -16   13    3 o    4.879000      0.4481000                  ?       ?   4.879000      0.4481000                  ?              ?
  1 1 1     -16   13    4 o    4.785000      0.3522000       4.127000 0.5557000       5.443000      0.4329000      -1.316000      0.7044000
  1 1 1     -16   13    5 o    10.91000      0.2427000       10.88000 0.3493000       10.94000      0.3372000     -0.6521000E-01  0.4855000
  1 1 1     -16   13    6 o    10.27000      0.2457000       10.36000 0.3534000       10.17000      0.3415000      0.1906000      0.4914000
  1 1 1     -16   13    7 o    8.379000      0.2645000       8.325000 0.3710000       8.433000      0.3770000     -0.1078000      0.5289000
  1 1 1     -16   13    8 o    5.568000      0.3395000       5.384000 0.4853000       5.753000      0.4750000     -0.3690000      0.6790000
  1 1 1     -16   13    9 o    7.056000      0.3478000       6.748000 0.3913000       7.365000      0.5750000     -0.6179000      0.6955000
  1 1 1     -16   13   10 o    6.644000      0.3887000       6.445000 0.5204000       6.842000      0.5775000     -0.3972000      0.7774000
  1 1 1     -16   13   11 o    1.862000      0.5375000       1.480000 0.6765000       2.245000      0.8353000     -0.7651000       1.075000
  1 1 1     -16   13   12 o    5.092000      0.3813000       4.994000 0.5372000       5.190000      0.5414000     -0.1963000      0.7627000
  1 1 1     -16   13   13 o    4.397000      0.7852000       4.374000 1.263000       4.419000      0.9338000     -0.4446000E-01   1.570000
  1 1 1     -16   13   14 f    4.206000      0.7900000       5.466000 1.191000       2.945000       1.039000       2.522000       1.580000
  1 1 1     -16   13   15 o    6.439000      0.3634000       5.953000 0.5366000       6.925000      0.4901000     -0.9713000      0.7267000
  1 1 1     -16   13   16 o    8.214000      0.3238000       7.690000 0.4774000       8.738000      0.4376000      -1.048000      0.6476000
  1 1 1     -16   13   17 o    4.487000      0.5318000       4.165000 0.7802000       4.809000      0.7229000     -0.6441000       1.064000
  1 1 1     -16   13   18 o    4.493000      0.5384000       4.377000 0.7876000       4.608000      0.7343000     -0.2312000       1.077000
  1 1 1     -16   13   19 o    5.468000      0.4760000       6.125000 0.5819000       4.812000      0.7535000       1.314000      0.9521000
  1 1 1     -16   13   20 o    6.043000      0.5710000       6.705000 0.5574000       5.380000      0.9966000       1.324000       1.142000
  1 1 1     -16   13   21 o    6.535000      0.4058000       6.829000 0.5311000       6.242000      0.6137000      0.5871000      0.8116000
  1 1 1     -16   13   22 o    4.146000      0.5515000       3.295000 0.8282000       4.997000      0.7285000      -1.703000       1.103000
  1 1 1     -16   13   23 o    4.985000      0.4594000       4.807000 0.6219000       5.164000      0.6765000     -0.3569000      0.9189000
  1 1 1     -16   13   24 o    3.060000      0.6350000       2.657000 0.8742000       3.463000      0.9214000     -0.8058000       1.270000
  1 1 1     -16   13   25 o    2.304000      0.6472000       2.013000 0.8538000       2.596000      0.9728000     -0.5830000       1.294000
  1 1 1     -16   13   26 o    1.832000      0.5773000       1.907000 0.8246000       1.757000      0.8081000      0.1493000       1.155000
  1 1 1     -16   14    1 o    7.598000      0.2420000       8.186000 0.3432000       7.010000      0.3413000       1.176000      0.4840000
  1 1 1     -16   14    2 o    5.018000      0.3303000       5.205000 0.4481000       4.831000      0.4853000      0.3741000      0.6605000
  1 1 1     -16   14    3 o    10.48000      0.2377000       10.28000 0.3326000       10.68000      0.3398000     -0.4004000      0.4755000
  1 1 1     -16   14    4 o    9.332000      0.2766000       9.425000 0.4319000       9.239000      0.3456000      0.1863000      0.5531000
  1 1 1     -16   14    5 o    2.443000      0.5238000       2.816000 0.7102000       2.071000      0.7703000      0.7449000       1.048000
  1 1 1     -16   14    6 o    5.437000      0.3247000       5.228000 0.4650000       5.646000      0.4533000     -0.4180000      0.6494000
  1 1 1     -16   14    7 o    4.115000      0.5037000       3.621000 0.6433000       4.609000      0.7752000     -0.9886000       1.007000
  1 1 1     -16   14    8 o    7.774000      0.3551000       8.177000 0.4384000       7.371000      0.5588000      0.8065000      0.7102000
  1 1 1     -16   14    9 o    7.241000      0.2928000       6.844000 0.4286000       7.638000      0.3990000     -0.7944000      0.5856000
  1 1 1     -16   14   10 o    5.315000      0.3682000       5.838000 0.4733000       4.791000      0.5641000       1.046000      0.7364000
  1 1 1     -16   14   11 o    2.239000      0.6998000       2.373000 1.071000       2.106000      0.9016000      0.2668000       1.400000
  1 1 1     -16   14   12 o    4.010000      0.7353000       3.204000 1.210000       4.815000      0.8357000      -1.611000       1.471000
  1 1 1     -16   14   13 o    3.082000      0.5819000       3.328000 0.7619000       2.835000      0.8797000      0.4931000       1.164000
  1 1 1     -16   14   14 o    5.168000      0.4013000       5.093000 0.5596000       5.243000      0.5754000     -0.1507000      0.8027000
  1 1 1     -16   14   15 o    8.989000      0.3097000       8.915000 0.4466000       9.063000      0.4291000     -0.1478000      0.6193000
  1 1 1     -16   14   16 o    2.873000      0.6590000       2.779000 0.9283000       2.967000      0.9355000     -0.1888000       1.318000
  1 1 1     -16   14   17 o    2.232000      0.6313000       2.163000 0.8795000       2.301000      0.9059000     -0.1374000       1.263000
  1 1 1     -16   14   18 o    3.659000      0.6335000       3.174000 0.9218000       4.143000      0.8693000     -0.9685000       1.267000
  1 1 1     -16   14   19 o    6.241000      0.4318000       6.753000 0.6158000       5.729000      0.6056000       1.023000      0.8637000
  1 1 1     -16   14   20 f    6.753000      0.3890000       6.717000 0.5421000       6.788000      0.5581000     -0.7060000E-01  0.7781000
  1 1 1     -16   14   21 o    4.043000      0.5975000       4.467000 0.7455000       3.619000      0.9338000      0.8478000       1.195000
  1 1 1     -16   14   22 o    2.670000      0.6616000       2.854000 0.9418000       2.487000      0.9295000      0.3665000       1.323000
  1 1 1     -16   14   23 o    2.621000      0.6703000       2.459000 0.9061000       2.782000      0.9880000     -0.3222000       1.341000
  1 1 1     -16   14   24 o    2.604000      0.6536000       2.765000 0.8852000       2.442000      0.9620000      0.3230000       1.307000
  1 1 1     -16   14   25 o    3.964000      0.5683000       3.961000 0.7335000       3.966000      0.8682000     -0.4707000E-02   1.137000
  1 1 1     -16   15    1 o    7.360000      0.2620000       7.081000 0.3866000       7.638000      0.3536000     -0.5570000      0.5239000
  1 1 1     -16   15    2 o    3.788000      0.4368000       3.675000 0.6378000       3.901000      0.5971000     -0.2263000      0.8737000
  1 1 1     -16   15    3 o    8.728000      0.2507000       8.626000 0.3657000       8.830000      0.3430000     -0.2042000      0.5014000
  1 1 1     -16   15    4 o    7.790000      0.2667000       7.923000 0.3890000       7.657000      0.3651000      0.2664000      0.5335000
  1 1 1     -16   15    5 o    4.339000      0.4471000       4.268000 0.4926000       4.410000      0.7464000     -0.1422000      0.8943000
  1 1 1     -16   15    6 o    3.892000      0.5390000       4.048000 0.6464000       3.736000      0.8626000      0.3126000       1.078000
  1 1 1     -16   15    7 o    2.350000      0.5627000       2.043000 0.7812000       2.657000      0.8101000     -0.6136000       1.125000
  1 1 1     -16   15    8 o    4.533000      0.4000000       4.862000 0.4922000       4.204000      0.6307000      0.6577000      0.8001000
  1 1 1     -16   15    9 o    6.571000      0.6419000       5.137000 1.153000       8.005000      0.5636000      -2.868000       1.284000
  1 1 1     -16   15   10 o    2.481000      0.7477000       2.711000 1.153000       2.251000      0.9523000      0.4596000       1.495000
  1 1 1     -16   15   11 o    6.934000      0.3183000       6.633000 0.4703000       7.236000      0.4289000     -0.6032000      0.6366000
  1 1 1     -16   15   12 o    3.938000      0.5325000       4.318000 0.6591000       3.558000      0.8366000      0.7599000       1.065000
  1 1 1     -16   15   13 o    2.755000      0.6164000       2.559000 0.8630000       2.952000      0.8804000     -0.3933000       1.233000
  1 1 1     -16   15   14 o    5.962000      0.3815000       6.061000 0.4999000       5.862000      0.5766000      0.1996000      0.7631000
  1 1 1     -16   15   15 o    6.560000      0.3616000       6.678000 0.5008000       6.443000      0.5218000      0.2358000      0.7232000
  1 1 1     -16   15   16 o    3.054000      0.6540000       2.930000 0.9115000       3.178000      0.9381000     -0.2484000       1.308000
  1 1 1     -16   15   17 o    5.434000      0.4285000       5.411000 0.6108000       5.458000      0.6012000     -0.4674000E-01  0.8571000
  1 1 1     -16   15   18 o    4.389000      0.5519000       4.764000 0.6991000       4.015000      0.8543000      0.7491000       1.104000
  1 1 1     -16   15   19 o    6.761000      0.3863000       7.011000 0.5237000       6.512000      0.5681000      0.4991000      0.7727000
  1 1 1     -16   15   20 o    4.539000      0.5217000       4.291000 0.7465000       4.786000      0.7289000     -0.4951000       1.043000
  1 1 1     -16   15   21 o    2.105000      0.6676000       2.179000 0.9973000       2.031000      0.8878000      0.1475000       1.335000
  1 1 1     -16   15   22 o    2.641000      0.6570000       2.623000 0.8940000       2.659000      0.9630000     -0.3642000E-01   1.314000
  1 1 1     -16   15   23 o    2.389000      0.6192000       3.088000 0.9593000       1.690000      0.7830000       1.398000       1.238000
  1 1 1     -16   15   24 o    1.926000      0.9180000       1.926000 0.9180000                  ?              ?              ?              ?
  1 1 1     -16   16    1 o    4.501000      0.3922000       4.678000 0.5418000       4.323000      0.5671000      0.3548000      0.7843000
  1 1 1     -16   16    2 o    3.292000      0.5376000       3.461000 0.6868000       3.123000      0.8274000      0.3376000       1.075000
  1 1 1     -16   16    3 o    2.058000      0.5909000       2.131000 0.8253000       1.985000      0.8460000      0.1457000       1.182000
  1 1 1     -16   16    4 o    1.751000      0.7855000                  ?       ?   1.751000      0.7855000                  ?              ?
  1 1 1     -16   16    5 o    6.513000      0.3013000       6.114000 0.4406000       6.912000      0.4112000     -0.7982000      0.6026000
  1 1 1     -16   16    6 o    2.574000      0.5650000       2.879000 0.7965000       2.269000      0.8014000      0.6095000       1.130000
  1 1 1     -16   16    7 f    4.547000      0.7132000       5.307000 1.081000       3.786000      0.9311000       1.520000       1.426000
  1 1 1     -16   16    8 o    4.512000      0.7530000       4.300000 1.239000       4.725000      0.8566000     -0.4252000       1.506000
  1 1 1     -16   16    9 o    7.913000      0.2941000       8.154000 0.4087000       7.672000      0.4229000      0.4827000      0.5881000
  1 1 1     -16   16   10 o    2.405000      0.5935000       2.569000 0.8170000       2.241000      0.8611000      0.3274000       1.187000
  1 1 1     -16   16   11 o    2.658000      0.6108000       2.441000 0.8658000       2.874000      0.8618000     -0.4334000       1.222000
  1 1 1     -16   16   12 o    3.710000      0.5664000       4.460000 0.6554000       2.959000      0.9239000       1.501000       1.133000
  1 1 1     -16   16   13 o    4.514000      0.4959000       5.091000 0.6033000       3.937000      0.7873000       1.153000      0.9918000
  1 1 1     -16   16   14 o    4.707000      0.5053000       5.514000 0.5750000       3.900000      0.8310000       1.614000       1.011000
  1 1 1     -16   16   15 o    2.187000      0.6181000       2.047000 0.8485000       2.327000      0.8990000     -0.2809000       1.236000
  1 1 1     -16   16   16 o    7.046000      0.3579000       7.386000 0.4856000       6.706000      0.5259000      0.6800000      0.7158000
  1 1 1     -16   16   17 o    6.672000      0.3738000       7.070000 0.5095000       6.274000      0.5471000      0.7954000      0.7476000
  1 1 1     -16   16   18 o    3.141000      0.6281000       3.969000 0.8656000       2.313000      0.9103000       1.656000       1.256000
  1 1 1     -16   16   19 o    3.552000      0.6571000       3.921000 0.8830000       3.184000      0.9734000      0.7371000       1.314000
  1 1 1     -16   16   20 o    3.489000      0.6172000       4.171000 0.7830000       2.808000      0.9543000       1.363000       1.234000
  1 1 1     -16   16   21 o    2.940000      0.6498000       3.374000 0.8858000       2.507000      0.9511000      0.8669000       1.300000
  1 1 1     -16   16   22 o    3.403000      0.6666000       3.839000 0.8810000       2.968000       1.001000      0.8717000       1.333000
  1 1 1     -16   17    1 f    4.492000      0.5537000       5.584000 0.5605000       3.400000      0.9552000       2.185000       1.107000
  1 1 1     -16   17    2 o    4.643000      0.6652000       4.643000 0.6652000                  ?              ?              ?              ?
  1 1 1     -16   17    3 o    5.769000      0.3297000       5.717000 0.4686000       5.822000      0.4640000     -0.1048000      0.6594000
  1 1 1     -16   17    4 o    3.675000      0.7038000                  ?       ?   3.675000      0.7038000                  ?              ?
  1 1 1     -16   17    5 o    2.613000      0.7626000       3.066000 1.205000       2.160000      0.9345000      0.9061000       1.525000
  1 1 1     -16   17    6 o    3.793000      0.7729000       3.261000 1.249000       4.324000      0.9102000      -1.064000       1.546000
  1 1 1     -16   17    7 o    7.147000      0.3095000       6.624000 0.4666000       7.669000      0.4067000      -1.045000      0.6190000
  1 1 1     -16   17    8 o    4.845000      0.4383000       4.128000 0.6864000       5.562000      0.5452000      -1.434000      0.8766000
  1 1 1     -16   17    9 o    7.229000      0.3169000       7.266000 0.4433000       7.192000      0.4529000      0.7435000E-01  0.6338000
  1 1 1     -16   17   10 o    4.914000      0.4478000       5.080000 0.6047000       4.749000      0.6607000      0.3311000      0.8956000
  1 1 1     -16   17   11 o    3.282000      0.6078000       3.082000 0.8895000       3.482000      0.8286000     -0.4008000       1.216000
  1 1 1     -16   17   12 o    4.565000      0.5114000       5.256000 0.6019000       3.874000      0.8269000       1.383000       1.023000
  1 1 1     -16   17   13 o    4.266000      0.5314000       4.078000 0.7738000       4.454000      0.7287000     -0.3759000       1.063000
  1 1 1     -16   17   14 o    2.255000      0.6063000       2.793000 0.9200000       1.717000      0.7901000       1.076000       1.213000
  1 1 1     -16   17   15 o    3.641000      0.6173000       3.787000 0.8648000       3.495000      0.8810000      0.2928000       1.235000
  1 1 1     -16   17   16 o    4.336000      0.5667000       4.291000 0.7823000       4.381000      0.8202000     -0.8987000E-01   1.133000
  1 1 1     -16   17   17 o    6.345000      0.4004000       6.837000 0.5187000       5.854000      0.6100000      0.9832000      0.8007000
  1 1 1     -16   17   18 o    4.749000      0.5351000       4.335000 0.8130000       5.163000      0.6960000     -0.8283000       1.070000
  1 1 1     -16   17   19 o    7.251000      0.4367000       7.721000 0.6590000       6.781000      0.5731000      0.9404000      0.8734000
  1 1 1     -16   17   20 o    3.018000      0.6789000       2.757000 0.9778000       3.279000      0.9421000     -0.5214000       1.358000
  1 1 1     -16   17   21 o    2.280000      0.6478000       1.951000 0.8563000       2.610000      0.9722000     -0.6596000       1.296000
  1 1 1     -16   18    1 o    9.721000      0.2776000       9.757000 0.4053000       9.685000      0.3795000      0.7232000E-01  0.5552000
  1 1 1     -16   18    2 o    4.141000      0.6664000       5.372000 1.102000       2.910000      0.7498000       2.462000       1.333000
  1 1 1     -16   18    3 o    3.646000      0.7490000       4.902000 1.169000       2.389000      0.9367000       2.513000       1.498000
  1 1 1     -16   18    4 o    2.079000      0.5974000       2.372000 0.8555000       1.786000      0.8341000      0.5863000       1.195000
  1 1 1     -16   18    5 o    3.772000      0.5032000       3.748000 0.7278000       3.796000      0.6950000     -0.4827000E-01   1.006000
  1 1 1     -16   18    6 o    6.279000      0.3456000       6.175000 0.5111000       6.382000      0.4654000     -0.2072000      0.6913000
  1 1 1     -16   18    7 o    4.632000      0.4508000       4.984000 0.6022000       4.279000      0.6710000      0.7056000      0.9016000
  1 1 1     -16   18    8 o    3.280000      0.6175000       3.313000 0.8590000       3.247000      0.8874000      0.6622000E-01   1.235000
  1 1 1     -16   18    9 o    2.668000      0.5807000       1.929000 0.8191000       3.408000      0.8234000      -1.479000       1.161000
  1 1 1     -16   18   10 o    2.119000      0.6123000       1.967000 0.8405000       2.271000      0.8907000     -0.3042000       1.225000
  1 1 1     -16   18   11 o    3.800000      0.5624000       3.970000 0.7405000       3.630000      0.8467000      0.3408000       1.125000
  1 1 1     -16   18   12 f    4.973000      0.4843000       5.475000 0.5831000       4.471000      0.7734000       1.003000      0.9686000
  1 1 1     -16   18   13 f    4.099000      0.5750000       4.424000 0.7800000       3.775000      0.8450000      0.6491000       1.150000
  1 1 1     -16   18   14 o    2.218000      0.6324000       1.916000 0.8375000       2.519000      0.9479000     -0.6023000       1.265000
  1 1 1     -16   18   15 o    2.899000      0.6634000       2.568000 0.9436000       3.230000      0.9328000     -0.6614000       1.327000
  1 1 1     -16   18   16 o    3.042000      0.6655000       3.246000 0.9167000       2.838000      0.9649000      0.4086000       1.331000
  1 1 1     -16   18   17 o    2.854000      0.6699000       3.300000 0.9674000       2.409000      0.9270000      0.8907000       1.340000
  1 1 1     -16   18   18 o    4.037000      0.6186000       3.936000 0.8889000       4.137000      0.8606000     -0.2012000       1.237000
  1 1 1     -16   18   19 o    2.635000      0.6721000       2.203000 0.9008000       3.066000      0.9978000     -0.8625000       1.344000
  1 1 1     -16   19    1 o    9.280000      0.4486000       8.918000 0.7284000       9.641000      0.5237000     -0.7229000      0.8971000
  1 1 1     -16   19    2 o    6.043000      0.3752000       6.319000 0.5396000       5.767000      0.5213000      0.5525000      0.7503000
  1 1 1     -16   19    3 o    2.409000      0.6242000       2.688000 0.9171000       2.130000      0.8469000      0.5575000       1.248000
  1 1 1     -16   19    4 o    6.232000      0.3747000       6.304000 0.5679000       6.160000      0.4891000      0.1440000      0.7495000
  1 1 1     -16   19    5 o    1.923000      0.5875000       2.183000 0.9003000       1.662000      0.7549000      0.5210000       1.175000
  1 1 1     -16   19    6 o    2.995000      0.6058000       3.595000 0.8496000       2.394000      0.8637000       1.201000       1.212000
  1 1 1     -16   19    7 o    2.535000      0.6346000       2.799000 0.9166000       2.270000      0.8779000      0.5294000       1.269000
  1 1 1     -16   19    8 o    2.996000      0.6142000       2.667000 0.8955000       3.324000      0.8409000     -0.6575000       1.228000
  1 1 1     -16   19    9 o    2.178000      0.5989000       2.573000 0.8979000       1.782000      0.7928000      0.7915000       1.198000
  1 1 1     -16   19   10 o    2.365000      0.6236000       2.299000 0.8633000       2.431000      0.9000000     -0.1323000       1.247000
  1 1 1     -16   19   11 o    4.253000      0.5715000       5.362000 0.6322000       3.144000      0.9523000       2.218000       1.143000
  1 1 1     -16   19   12 o    3.413000      0.6414000       3.559000 0.9000000       3.268000      0.9140000      0.2915000       1.283000
  1 1 1     -16   19   13 o    2.685000      0.6664000       2.890000 0.9533000       2.479000      0.9313000      0.4109000       1.333000
  1 1 1     -16   19   14 o    3.046000      0.6608000       2.784000 0.9426000       3.309000      0.9262000     -0.5246000       1.322000
  1 1 1     -16   19   15 o    2.744000      0.6703000       2.536000 0.9438000       2.953000      0.9522000     -0.4171000       1.341000
  1 1 1     -16   19   16 o    2.836000      0.6484000       2.100000 0.8928000       3.573000      0.9405000      -1.472000       1.297000
  1 1 1     -16   19   17 o    3.015000      0.6859000       2.947000 0.9809000       3.083000      0.9588000     -0.1364000       1.372000
  1 1 1     -16   19   18 o    2.852000      0.7280000       2.203000 0.8491000       3.501000       1.183000      -1.298000       1.456000
  1 1 1     -16   20    1 o    2.903000      0.6576000       2.819000 0.9602000       2.986000      0.8987000     -0.1673000       1.315000
  1 1 1     -16   20    2 o    2.695000      0.6483000       3.124000 0.9647000       2.265000      0.8662000      0.8584000       1.297000
  1 1 1     -16   20    3 o    4.010000      0.8633000       4.010000 0.8633000                  ?              ?              ?              ?
  1 1 1     -16   20    4 o    5.004000      0.4778000       4.652000 0.7445000       5.356000      0.5991000     -0.7039000      0.9556000
  1 1 1     -16   20    5 o    1.683000      0.5739000       1.941000 0.9241000       1.424000      0.6809000      0.5169000       1.148000
  1 1 1     -16   20    6 o    2.280000      0.6356000       2.704000 0.9725000       1.856000      0.8187000      0.8482000       1.271000
  1 1 1     -16   20    7 o    4.439000      0.5202000       3.737000 0.8417000       5.141000      0.6115000      -1.404000       1.040000
  1 1 1     -16   20    8 f    4.495000      0.5246000       4.319000 0.7726000       4.671000      0.7098000     -0.3522000       1.049000
  1 1 1     -16   20    9 o    6.744000      0.3708000       7.571000 0.4796000       5.917000      0.5656000       1.654000      0.7416000
  1 1 1     -16   20   10 f    4.305000      0.5657000       4.458000 0.7921000       4.153000      0.8078000      0.3044000       1.131000
  1 1 1     -16   20   11 o    3.003000      0.5444000       4.389000 0.7825000       1.617000      0.7572000       2.772000       1.089000
  1 1 1     -16   20   12 o    2.860000      0.6618000       2.286000 0.9141000       3.433000      0.9571000      -1.147000       1.324000
  1 1 1     -16   20   13 o    5.088000      0.5053000       5.555000 0.6781000       4.620000      0.7492000      0.9347000       1.011000
  1 1 1     -16   20   14 o    3.243000      0.6181000       2.199000 0.9262000       4.286000      0.8188000      -2.088000       1.236000
  1 1 1     -16   20   15 f    2.728000      0.6279000       3.540000 0.9134000       1.915000      0.8618000       1.625000       1.256000
  1 1 1     -16   20   16 o    2.882000      0.7980000       2.492000 1.087000       3.273000       1.169000     -0.7807000       1.596000
  1 1 1     -16   21    1 o    5.835000      0.5098000       5.005000 0.8668000       6.666000      0.5370000      -1.662000       1.020000
  1 1 1     -16   21    2 o    3.817000      0.6474000       3.701000 0.9954000       3.932000      0.8282000     -0.2313000       1.295000
  1 1 1     -16   21    3 o    3.793000      0.9408000       3.793000 0.9408000                  ?              ?              ?              ?
  1 1 1     -16   21    4 o    4.200000      0.6089000       4.042000 0.9381000       4.357000      0.7766000     -0.3150000       1.218000
  1 1 1     -16   21    5 o    3.616000      0.9257000                  ?       ?   3.616000      0.9257000                  ?              ?
  1 1 1     -16   21    6 o    4.166000      0.6050000       4.635000 0.8249000       3.697000      0.8851000      0.9380000       1.210000
  1 1 1     -16   21    7 f    4.128000      0.6238000       4.432000 0.8620000       3.824000      0.9020000      0.6080000       1.248000
  1 1 1     -16   21    8 f    4.831000      0.5724000       3.593000 0.9959000       6.069000      0.5643000      -2.475000       1.145000
  1 1 1     -16   21    9 o    3.054000      0.6561000       3.729000 0.9109000       2.380000      0.9445000       1.349000       1.312000
  1 1 1     -16   21   10 o    3.551000      0.6341000       3.898000 0.8604000       3.203000      0.9316000      0.6947000       1.268000
  1 1 1     -16   21   11 o    3.083000      0.6993000       2.943000 1.005000       3.223000      0.9723000     -0.2805000       1.399000
  1 1 1     -16   21   12 o    2.501000      0.6426000       1.811000 0.8358000       3.190000      0.9763000      -1.379000       1.285000
  1 1 1     -16   21   13 o    3.619000      0.6654000       3.689000 0.9225000       3.548000      0.9591000      0.1404000       1.331000
  1 1 1     -16   22    1 o    3.500000      0.7154000       3.280000 1.096000       3.721000      0.9201000     -0.4411000       1.431000
  1 1 1     -16   22    2 o    2.876000      0.7144000       3.373000 1.067000       2.379000      0.9500000      0.9943000       1.429000
  1 1 1     -16   22    3 o    2.979000      0.7132000       2.694000 1.035000       3.264000      0.9818000     -0.5706000       1.426000
  1 1 1     -16   22    4 o    2.630000      0.6797000       3.195000 1.037000       2.065000      0.8790000       1.130000       1.359000
  1 1 1     -16   22    5 o    2.774000      0.6935000       2.385000 0.9886000       3.164000      0.9727000     -0.7788000       1.387000
  1 1 1     -16   22    6 o    4.153000      0.6290000       3.293000 1.049000       5.013000      0.6948000      -1.719000       1.258000
  1 1 1     -16   22    7 o    3.178000      0.7095000       3.113000 1.061000       3.244000      0.9425000     -0.1305000       1.419000
  1 1 1     -16   22    8 o    2.435000      0.6863000       2.500000 0.9902000       2.369000      0.9505000      0.1309000       1.373000
  1 1 1     -16   22    9 o    3.375000      0.7158000       3.181000 1.042000       3.569000      0.9818000     -0.3875000       1.432000
  1 1 1     -16   22   10 o    2.492000      0.6864000       2.585000 0.9744000       2.399000      0.9671000      0.1860000       1.373000
  1 1 1     -16   23    1 o    4.080000      0.6611000       3.970000 1.030000       4.189000      0.8297000     -0.2191000       1.322000
  1 1 1     -16   23    2 o    3.460000      0.6937000       2.705000 1.055000       4.215000      0.9016000      -1.510000       1.387000
  1 1 1     -16   23    3 o    3.604000      0.6494000       2.471000 1.032000       4.738000      0.7882000      -2.268000       1.299000
  1 1 1     -16   23    4 o    4.361000      0.6621000       3.899000 1.030000       4.824000      0.8324000     -0.9247000       1.324000
  1 1 1     -16   23    5 f    3.037000      0.8660000       2.749000 1.196000       3.325000       1.253000     -0.5758000       1.732000
  1 1 1     -15  -37    1 o    2.645000      0.7419000       2.161000 0.9604000       3.129000       1.131000     -0.9686000       1.484000
  1 1 1     -15  -37    2 o    2.606000      0.7208000       2.046000 0.9325000       3.167000       1.099000      -1.120000       1.442000
  1 1 1     -15  -37    3 o    2.171000      0.6560000       2.483000 0.9778000       1.858000      0.8747000      0.6246000       1.312000
  1 1 1     -15  -37    4 o    4.743000       1.386000       4.743000 1.386000                  ?              ?              ?              ?
  1 1 1     -15  -37    5 o    3.811000       1.289000       3.811000 1.289000                  ?              ?              ?              ?
  1 1 1     -15  -36    1 o    2.279000      0.6611000       2.820000 1.036000       1.737000      0.8212000       1.083000       1.322000
  1 1 1     -15  -36    2 o    2.683000      0.6800000       1.980000 0.8876000       3.386000       1.030000      -1.406000       1.360000
  1 1 1     -15  -36    3 o    2.501000      0.6328000       3.404000 1.001000       1.599000      0.7740000       1.806000       1.266000
  1 1 1     -15  -36    4 o    2.694000      0.7295000       3.086000 1.075000       2.303000      0.9869000      0.7829000       1.459000
  1 1 1     -15  -36    5 o    2.461000      0.7151000       2.392000 0.9897000       2.529000       1.033000     -0.1373000       1.430000
  1 1 1     -15  -36    6 o    1.887000      0.6190000       1.630000 0.7773000       2.145000      0.9635000     -0.5152000       1.238000
  1 1 1     -15  -36    7 o    4.396000      0.7598000       4.137000 0.9531000       4.654000       1.183000     -0.5174000       1.520000
  1 1 1     -15  -36    8 o    2.352000      0.7043000       2.219000 0.9597000       2.485000       1.031000     -0.2656000       1.409000
  1 1 1     -15  -36    9 o    3.399000      0.7608000       3.098000 1.063000       3.700000       1.089000     -0.6023000       1.522000
  1 1 1     -15  -36   10 o    4.487000       1.211000       4.487000 1.211000                  ?              ?              ?              ?
  1 1 1     -15  -35    1 o    2.271000      0.6660000       2.187000 0.9265000       2.355000      0.9569000     -0.1673000       1.332000
  1 1 1     -15  -35    2 o    3.269000      0.6781000       2.569000 0.9789000       3.969000      0.9387000      -1.400000       1.356000
  1 1 1     -15  -35    3 o    4.114000      0.6655000       4.222000 0.9459000       4.007000      0.9363000      0.2149000       1.331000
  1 1 1     -15  -35    4 o    4.148000      0.6691000       4.843000 0.8491000       3.454000       1.034000       1.389000       1.338000
  1 1 1     -15  -35    5 o    4.845000      0.5914000       5.145000 0.7548000       4.544000      0.9107000      0.6005000       1.183000
  1 1 1     -15  -35    6 o    1.921000      0.6185000       1.731000 0.8092000       2.110000      0.9357000     -0.3793000       1.237000
  1 1 1     -15  -35    7 f    2.291000      0.6730000       2.137000 0.9201000       2.445000      0.9824000     -0.3077000       1.346000
  1 1 1     -15  -35    8 o    2.929000      0.7401000       3.209000 1.054000       2.650000       1.040000      0.5596000       1.480000
  1 1 1     -15  -35    9 o    4.801000      0.6187000       4.174000 0.9735000       5.427000      0.7638000      -1.253000       1.237000
  1 1 1     -15  -35   10 o    4.757000      0.6182000       5.409000 0.7441000       4.105000      0.9875000       1.304000       1.236000
  1 1 1     -15  -35   11 o    2.530000      0.7339000       2.559000 1.040000       2.501000       1.036000      0.5725000E-01   1.468000
  1 1 1     -15  -35   12 o    3.226000      0.6940000       4.065000 0.9544000       2.387000       1.008000       1.678000       1.388000
  1 1 1     -15  -35   13 o    2.884000       1.291000       2.884000 1.291000                  ?              ?              ?              ?
  1 1 1     -15  -34    1 o    3.335000      0.6859000       3.484000 0.9878000       3.186000      0.9518000      0.2984000       1.372000
  1 1 1     -15  -34    2 o    3.461000      0.6484000       4.073000 0.8940000       2.850000      0.9392000       1.222000       1.297000
  1 1 1     -15  -34    3 o    2.092000      0.5933000       1.376000 0.6810000       2.809000      0.9717000      -1.433000       1.187000
  1 1 1     -15  -34    4 o    2.736000      0.6960000       2.780000 0.9975000       2.691000      0.9709000      0.8862000E-01   1.392000
  1 1 1     -15  -34    5 o    2.423000      0.6615000       2.605000 0.9425000       2.242000      0.9286000      0.3632000       1.323000
  1 1 1     -15  -34    6 o    2.713000      0.6912000       2.695000 0.9780000       2.732000      0.9771000     -0.3731000E-01   1.382000
  1 1 1     -15  -34    7 o    2.944000      0.6800000       2.396000 0.9368000       3.493000      0.9860000      -1.096000       1.360000
  1 1 1     -15  -34    8 o    3.628000      0.6870000       3.595000 0.9751000       3.660000      0.9681000     -0.6526000E-01   1.374000
  1 1 1     -15  -34    9 o    2.100000      0.6500000       2.277000 0.9554000       1.922000      0.8814000      0.3560000       1.300000
  1 1 1     -15  -34   10 o    2.678000      0.6842000       3.216000 0.9941000       2.139000      0.9404000       1.077000       1.368000
  1 1 1     -15  -34   11 o    3.177000      0.7134000       3.534000 0.9884000       2.819000       1.029000      0.7147000       1.427000
  1 1 1     -15  -34   12 o    1.809000      0.5991000       1.924000 0.8794000       1.695000      0.8137000      0.2292000       1.198000
  1 1 1     -15  -34   13 o    3.753000      0.6806000       4.254000 0.8704000       3.251000       1.047000       1.003000       1.361000
  1 1 1     -15  -34   14 o    5.578000      0.5757000       4.696000 0.9033000       6.460000      0.7139000      -1.764000       1.151000
  1 1 1     -15  -34   15 o    3.847000      0.7127000       4.259000 0.9429000       3.436000       1.069000      0.8232000       1.425000
  1 1 1     -15  -33    1 o    2.889000      0.6293000       3.373000 0.8959000       2.404000      0.8839000      0.9683000       1.259000
  1 1 1     -15  -33    2 o    5.035000      0.4366000       4.543000 0.6791000       5.528000      0.5490000     -0.9851000      0.8733000
  1 1 1     -15  -33    3 o    8.296000      0.3405000       8.917000 0.5116000       7.674000      0.4496000       1.243000      0.6811000
  1 1 1     -15  -33    4 o    5.161000      0.4400000       5.266000 0.6098000       5.056000      0.6343000      0.2101000      0.8799000
  1 1 1     -15  -33    5 o    2.696000      0.6643000       2.767000 0.9463000       2.624000      0.9327000      0.1424000       1.329000
  1 1 1     -15  -33    6 o    5.176000      0.4650000       5.839000 0.5618000       4.512000      0.7412000       1.327000      0.9300000
  1 1 1     -15  -33    7 o    1.854000      0.5795000       1.743000 0.7903000       1.965000      0.8479000     -0.2213000       1.159000
  1 1 1     -15  -33    8 o    3.473000      0.6241000       3.281000 0.8879000       3.665000      0.8773000     -0.3836000       1.248000
  1 1 1     -15  -33    9 o    4.411000      0.5592000       5.292000 0.6379000       3.530000      0.9186000       1.762000       1.118000
  1 1 1     -15  -33   10 o    4.084000      0.6320000       4.279000 0.8478000       3.890000      0.9375000      0.3886000       1.264000
  1 1 1     -15  -33   11 o    2.574000      0.6889000       2.956000 1.006000       2.193000      0.9418000      0.7632000       1.378000
  1 1 1     -15  -33   12 o    3.510000      0.6382000       2.523000 0.9654000       4.496000      0.8350000      -1.973000       1.276000
  1 1 1     -15  -33   13 o    2.983000      0.7129000       3.100000 0.9940000       2.866000       1.022000      0.2339000       1.426000
  1 1 1     -15  -33   14 o    2.788000      0.5973000       3.896000 0.8904000       1.679000      0.7964000       2.217000       1.195000
  1 1 1     -15  -33   15 o    2.434000      0.6793000       2.918000 1.028000       1.949000      0.8880000      0.9693000       1.359000
  1 1 1     -15  -33   16 o    3.431000      0.6828000       4.119000 0.8934000       2.742000       1.033000       1.376000       1.366000
  1 1 1     -15  -33   17 o    2.503000      0.7158000       2.105000 0.9322000       2.902000       1.086000     -0.7964000       1.432000
  1 1 1     -15  -32    1 o    3.179000      0.5641000       2.746000 0.8491000       3.612000      0.7429000     -0.8654000       1.128000
  1 1 1     -15  -32    2 o    6.469000      0.3170000       6.670000 0.4511000       6.267000      0.4455000      0.4028000      0.6340000
  1 1 1     -15  -32    3 o    4.646000      0.4359000       4.664000 0.6490000       4.627000      0.5819000      0.3665000E-01  0.8717000
  1 1 1     -15  -32    4 o    3.222000      0.5728000       3.064000 0.8471000       3.380000      0.7713000     -0.3152000       1.146000
  1 1 1     -15  -32    5 o    6.628000      0.3395000       6.905000 0.4926000       6.351000      0.4674000      0.5537000      0.6791000
  1 1 1     -15  -32    6 o    4.823000      0.4818000       5.867000 0.5623000       3.778000      0.7824000       2.089000      0.9635000
  1 1 1     -15  -32    7 o    5.003000      0.4577000       5.316000 0.6030000       4.691000      0.6888000      0.6246000      0.9154000
  1 1 1     -15  -32    8 o    3.456000      0.6005000       3.955000 0.7746000       2.957000      0.9178000      0.9988000       1.201000
  1 1 1     -15  -32    9 o    3.510000      0.5632000       4.704000 0.6647000       2.315000      0.9093000       2.389000       1.126000
  1 1 1     -15  -32   10 o    3.013000      0.6413000       3.136000 0.8653000       2.891000      0.9468000      0.2445000       1.283000
  1 1 1     -15  -32   11 o    2.708000      0.6515000       2.220000 0.9026000       3.196000      0.9398000     -0.9756000       1.303000
  1 1 1     -15  -32   12 o    4.450000      0.5618000       5.377000 0.6452000       3.523000      0.9198000       1.854000       1.124000
  1 1 1     -15  -32   13 o    3.564000      0.6439000       3.636000 0.8872000       3.493000      0.9333000      0.1435000       1.288000
  1 1 1     -15  -32   14 o    2.462000      0.6872000       2.428000 0.9655000       2.497000      0.9783000     -0.6948000E-01   1.374000
  1 1 1     -15  -32   15 o    2.135000      0.6401000       2.002000 0.8711000       2.268000      0.9382000     -0.2655000       1.280000
  1 1 1     -15  -32   16 o    1.741000      0.5785000       1.821000 0.8426000       1.661000      0.7929000      0.1604000       1.157000
  1 1 1     -15  -32   17 o    1.994000      0.6288000       1.880000 0.8483000       2.108000      0.9285000     -0.2279000       1.258000
  1 1 1     -15  -32   18 o    2.420000      0.6989000       2.643000 1.015000       2.198000      0.9611000      0.4451000       1.398000
  1 1 1     -15  -32   19 o    2.933000       1.027000       2.933000 1.027000                  ?              ?              ?              ?
  1 1 1     -15  -31    1 o    3.657000      0.4997000       3.669000 0.7385000       3.645000      0.6733000      0.2334000E-01  0.9994000
  1 1 1     -15  -31    2 o    4.641000      0.3893000       4.379000 0.5967000       4.903000      0.5001000     -0.5245000      0.7785000
  1 1 1     -15  -31    3 o    3.838000      0.4686000       3.938000 0.6289000       3.739000      0.6949000      0.1986000      0.9373000
  1 1 1     -15  -31    4 o    5.166000      0.3676000       5.159000 0.4903000       5.174000      0.5480000     -0.1448000E-01  0.7353000
  1 1 1     -15  -31    5 o    5.683000      0.3575000       5.924000 0.4474000       5.443000      0.5578000      0.4815000      0.7151000
  1 1 1     -15  -31    6 o    3.593000      0.5311000       3.834000 0.6655000       3.353000      0.8280000      0.4813000       1.062000
  1 1 1     -15  -31    7 o    5.616000      0.3558000       5.884000 0.4581000       5.348000      0.5445000      0.5354000      0.7115000
  1 1 1     -15  -31    8 o    2.850000      0.5579000       3.419000 0.7232000       2.281000      0.8496000       1.138000       1.116000
  1 1 1     -15  -31    9 o    2.454000      0.5865000       1.962000 0.8050000       2.946000      0.8531000     -0.9839000       1.173000
  1 1 1     -15  -31   10 o    4.962000      0.4481000       4.623000 0.6575000       5.301000      0.6089000     -0.6784000      0.8961000
  1 1 1     -15  -31   11 o    3.390000      0.6082000       3.692000 0.7915000       3.089000      0.9237000      0.6031000       1.216000
  1 1 1     -15  -31   12 o    1.901000      0.5763000       1.924000 0.8073000       1.878000      0.8226000      0.4609000E-01   1.153000
  1 1 1     -15  -31   13 o    6.371000      0.4024000       6.178000 0.5615000       6.564000      0.5767000     -0.3855000      0.8049000
  1 1 1     -15  -31   14 o    2.199000      0.6432000       1.971000 0.8481000       2.426000      0.9671000     -0.4549000       1.286000
  1 1 1     -15  -31   15 o    3.318000      0.6206000       2.264000 0.9259000       4.372000      0.8266000      -2.109000       1.241000
  1 1 1     -15  -31   16 o    2.045000      0.6197000       2.344000 0.9361000       1.746000      0.8124000      0.5976000       1.239000
  1 1 1     -15  -31   17 o    3.041000      0.7115000       2.747000 1.002000       3.335000       1.010000     -0.5873000       1.423000
  1 1 1     -15  -31   18 o    2.197000      0.6586000       2.173000 0.9020000       2.221000      0.9600000     -0.4836000E-01   1.317000
  1 1 1     -15  -31   19 o    4.026000      0.6591000       5.264000 0.7556000       2.789000       1.080000       2.475000       1.318000
  1 1 1     -15  -31   20 o    2.922000      0.7369000       2.886000 1.023000       2.957000       1.061000     -0.7134000E-01   1.474000
  1 1 1     -15  -31   21 o    3.219000       1.227000       3.219000 1.227000                  ?              ?              ?              ?
  1 1 1     -15  -30    1 f    2.651000      0.5963000       2.913000 0.7987000       2.390000      0.8855000      0.5232000       1.193000
  1 1 1     -15  -30    2 o    2.101000      0.5729000       2.254000 0.7773000       1.948000      0.8418000      0.3067000       1.146000
  1 1 1     -15  -30    3 o    3.433000      0.5963000       3.409000 0.7315000       3.456000      0.9419000     -0.4741000E-01   1.193000
  1 1 1     -15  -30    4 o    2.790000      0.6052000       3.193000 0.7467000       2.387000      0.9526000      0.8061000       1.210000
  1 1 1     -15  -30    5 o    3.862000      0.4804000       3.811000 0.7183000       3.914000      0.6382000     -0.1037000      0.9609000
  1 1 1     -15  -30    6 o    3.062000      0.5646000       2.908000 0.7792000       3.217000      0.8172000     -0.3093000       1.129000
  1 1 1     -15  -30    7 o    6.375000      0.3358000       6.832000 0.4394000       5.917000      0.5079000      0.9159000      0.6716000
  1 1 1     -15  -30    8 o    5.286000      0.3723000       5.536000 0.4655000       5.035000      0.5811000      0.5011000      0.7446000
  1 1 1     -15  -30    9 o    3.494000      0.5367000       3.515000 0.6983000       3.473000      0.8154000      0.4209000E-01   1.073000
  1 1 1     -15  -30   10 o    6.987000      0.3126000       7.393000 0.3926000       6.580000      0.4866000      0.8126000      0.6253000
  1 1 1     -15  -30   11 o    4.629000      0.4304000       5.152000 0.4993000       4.106000      0.7013000       1.046000      0.8609000
  1 1 1     -15  -30   12 o    1.836000      0.5627000       2.080000 0.8440000       1.592000      0.7445000      0.4879000       1.125000
  1 1 1     -15  -30   13 o    2.245000      0.6403000       2.140000 0.8687000       2.351000      0.9409000     -0.2115000       1.281000
  1 1 1     -15  -30   14 o    4.029000      0.5516000       3.879000 0.7371000       4.179000      0.8209000     -0.3004000       1.103000
  1 1 1     -15  -30   15 o    3.874000      0.6132000       2.843000 0.9487000       4.906000      0.7772000      -2.063000       1.226000
  1 1 1     -15  -30   16 o    3.350000      0.6487000       2.906000 0.9214000       3.794000      0.9134000     -0.8884000       1.297000
  1 1 1     -15  -30   17 o    2.040000      0.6234000       2.280000 0.9310000       1.799000      0.8292000      0.4805000       1.247000
  1 1 1     -15  -30   18 o    2.953000      0.7128000       2.623000 0.9787000       3.283000       1.037000     -0.6606000       1.426000
  1 1 1     -15  -30   19 o    2.287000      0.6692000       2.421000 0.9455000       2.153000      0.9472000      0.2680000       1.338000
  1 1 1     -15  -30   20 o    2.589000      0.6614000       3.320000 1.003000       1.858000      0.8623000       1.462000       1.323000
  1 1 1     -15  -30   21 o    3.852000      0.6482000       4.689000 0.7807000       3.015000       1.035000       1.673000       1.296000
  1 1 1     -15  -30   22 o    3.430000      0.7258000       3.281000 1.010000       3.579000       1.043000     -0.2980000       1.452000
  1 1 1     -15  -29    1 o    2.272000      0.5024000       1.873000 0.7059000       2.671000      0.7150000     -0.7978000       1.005000
  1 1 1     -15  -29    2 o    2.196000      0.4468000       3.123000 0.6597000       1.269000      0.6027000       1.854000      0.8936000
  1 1 1     -15  -29    3 o    1.964000      0.5230000       2.219000 0.7651000       1.708000      0.7131000      0.5119000       1.046000
  1 1 1     -15  -29    4 o    5.658000      0.2957000       5.985000 0.3904000       5.331000      0.4442000      0.6543000      0.5914000
  1 1 1     -15  -29    5 o    4.367000      0.4063000       4.931000 0.4373000       3.802000      0.6848000       1.129000      0.8125000
  1 1 1     -15  -29    6 f    4.172000      0.5353000       4.420000 0.4645000       3.924000      0.9646000      0.4966000       1.071000
  1 1 1     -15  -29    7 o    11.47000      0.3356000       11.95000 0.4231000       10.99000      0.5209000      0.9627000      0.6711000
  1 1 1     -15  -29    8 o    6.323000      0.4369000       7.045000 0.4166000       5.601000      0.7680000       1.443000      0.8737000
  1 1 1     -15  -29    9 o    5.015000      0.4489000       4.606000 0.5486000       5.423000      0.7106000     -0.8163000      0.8978000
  1 1 1     -15  -29   10 o    9.168000      0.2668000       9.147000 0.3718000       9.189000      0.3826000     -0.4185000E-01  0.5336000
  1 1 1     -15  -29   11 o    5.709000      0.3632000       5.761000 0.4997000       5.657000      0.5273000      0.1036000      0.7264000
  1 1 1     -15  -29   12 o    3.233000      0.6172000       2.805000 0.8990000       3.662000      0.8460000     -0.8577000       1.234000
  1 1 1     -15  -29   13 o    3.366000      0.5918000       3.784000 0.7194000       2.949000      0.9400000      0.8343000       1.184000
  1 1 1     -15  -29   14 o    1.880000      0.5788000       1.909000 0.8169000       1.852000      0.8203000      0.5782000E-01   1.158000
  1 1 1     -15  -29   15 o    1.976000      0.6025000       1.777000 0.8014000       2.176000      0.8998000     -0.3991000       1.205000
  1 1 1     -15  -29   16 o    2.911000      0.6517000       3.071000 0.8652000       2.751000      0.9747000      0.3201000       1.303000
  1 1 1     -15  -29   17 o    2.264000      0.6502000       2.092000 0.8748000       2.436000      0.9621000     -0.3438000       1.300000
  1 1 1     -15  -29   18 o    4.487000      0.5493000       4.667000 0.6740000       4.308000      0.8676000      0.3593000       1.099000
  1 1 1     -15  -29   19 o    3.525000      0.6976000       3.617000 0.9236000       3.433000       1.046000      0.1838000       1.395000
  1 1 1     -15  -29   20 o    3.115000       1.008000       3.115000 1.008000                  ?              ?              ?              ?
  1 1 1     -15  -29   21 o    2.429000      0.6675000       1.897000 0.8471000       2.961000       1.032000      -1.065000       1.335000
  1 1 1     -15  -29   22 o    2.552000      0.5982000       1.290000 0.6332000       3.814000       1.015000      -2.523000       1.196000
  1 1 1     -15  -29   23 o    2.452000      0.6967000       2.534000 0.9930000       2.371000      0.9775000      0.1638000       1.393000
  1 1 1     -15  -28    1 o    3.329000      0.4616000       3.702000 0.5766000       2.956000      0.7211000      0.7457000      0.9233000
  1 1 1     -15  -28    2 o    3.253000      0.5576000                  ?       ?   3.253000      0.5576000                  ?              ?
  1 1 1     -15  -28    3 o    2.745000      0.7033000       2.934000 1.086000       2.556000      0.8936000      0.3782000       1.407000
  1 1 1     -15  -28    4 o    3.349000      0.7396000       4.206000 1.163000       2.493000      0.9142000       1.713000       1.479000
  1 1 1     -15  -28    5 o    10.43000      0.4074000       10.51000 0.6492000       10.35000      0.4924000      0.1640000      0.8148000
  1 1 1     -15  -28    6 f    8.468000      0.3032000       8.212000 0.3415000       8.724000      0.5012000     -0.5121000      0.6065000
  1 1 1     -15  -28    7 o    4.521000      0.3592000       4.611000 0.4693000       4.432000      0.5439000      0.1786000      0.7184000
  1 1 1     -15  -28    8 o    5.306000      0.3389000       5.854000 0.4128000       4.757000      0.5375000       1.097000      0.6777000
  1 1 1     -15  -28    9 o    3.293000      0.5045000       3.899000 0.5751000       2.687000      0.8290000       1.212000       1.009000
  1 1 1     -15  -28   10 o    5.031000      0.5516000       6.415000 0.4051000       3.648000       1.026000       2.767000       1.103000
  1 1 1     -15  -28   11 o    1.775000      0.5806000       1.751000 0.7808000       1.799000      0.8594000     -0.4720000E-01   1.161000
  1 1 1     -15  -28   12 o    1.867000      0.6015000       1.878000 0.8196000       1.856000      0.8805000      0.2246000E-01   1.203000
  1 1 1     -15  -28   13 o    2.302000      0.6100000       2.263000 0.8145000       2.341000      0.9084000     -0.7757000E-01   1.220000
  1 1 1     -15  -28   14 o    4.308000      0.4897000       4.220000 0.6888000       4.396000      0.6961000     -0.1758000      0.9793000
  1 1 1     -15  -28   15 o    3.987000      0.5688000       4.165000 0.7453000       3.808000      0.8595000      0.3571000       1.138000
  1 1 1     -15  -28   16 f    3.419000      0.6016000       4.027000 0.7333000       2.810000      0.9540000       1.217000       1.203000
  1 1 1     -15  -28   17 o    4.463000      0.5860000       5.534000 0.6201000       3.391000      0.9945000       2.143000       1.172000
  1 1 1     -15  -28   18 o    2.798000      0.6478000       3.345000 0.8844000       2.251000      0.9468000       1.095000       1.296000
  1 1 1     -15  -28   19 o    2.646000      0.6935000       2.085000 0.8697000       3.207000       1.080000      -1.122000       1.387000
  1 1 1     -15  -28   20 o    2.733000      0.9339000       2.733000 0.9339000                  ?              ?              ?              ?
  1 1 1     -15  -28   21 o    3.784000      0.6765000       3.290000 0.9517000       4.277000      0.9618000     -0.9878000       1.353000
  1 1 1     -15  -28   22 o    3.915000       1.006000                  ?       ?   3.915000       1.006000                  ?              ?
  1 1 1     -15  -28   23 o    2.693000      0.7054000       2.678000 0.9913000       2.707000       1.004000     -0.2845000E-01   1.411000
  1 1 1     -15  -28   24 o    2.197000      0.6598000       2.104000 0.9148000       2.291000      0.9512000     -0.1867000       1.320000
  1 1 1     -15  -27    1 o    4.011000      0.3368000       3.777000 0.4686000       4.245000      0.4837000     -0.4672000      0.6735000
  1 1 1     -15  -27    2 o    7.086000      0.2507000       6.874000 0.3578000       7.298000      0.3512000     -0.4239000      0.5014000
  1 1 1     -15  -27    3 o    8.277000      0.2336000       8.462000 0.3293000       8.091000      0.3314000      0.3717000      0.4671000
  1 1 1     -15  -27    4 o    8.847000      0.2421000       8.999000 0.3354000       8.695000      0.3492000      0.3034000      0.4842000
  1 1 1     -15  -27    5 o    13.32000      0.2504000       13.43000 0.3564000       13.22000      0.3519000      0.2086000      0.5009000
  1 1 1     -15  -27    6 f    7.545000      0.2633000       7.931000 0.3613000       7.159000      0.3830000      0.7719000      0.5265000
  1 1 1     -15  -27    7 o    9.301000      0.4437000       8.461000 0.7342000       10.14000      0.4985000      -1.681000      0.8874000
  1 1 1     -15  -27    8 o    3.245000      0.7106000       2.579000 1.103000       3.912000      0.8957000      -1.333000       1.421000
  1 1 1     -15  -27    9 o    2.998000      0.7452000       3.216000 1.148000       2.779000      0.9511000      0.4367000       1.490000
  1 1 1     -15  -27   10 o    5.402000      0.3585000       5.179000 0.5137000       5.625000      0.5001000     -0.4464000      0.7170000
  1 1 1     -15  -27   11 o    3.434000      0.5429000       4.016000 0.6601000       2.851000      0.8620000       1.165000       1.086000
  1 1 1     -15  -27   12 o    6.299000      0.3545000       6.319000 0.4782000       6.278000      0.5234000      0.4032000E-01  0.7089000
  1 1 1     -15  -27   13 o    6.301000      0.4811000       6.288000 0.4329000       6.315000      0.8592000     -0.2651000E-01  0.9621000
  1 1 1     -15  -27   14 o    8.505000      0.4157000       8.678000 0.4616000       8.333000      0.6915000      0.3454000      0.8314000
  1 1 1     -15  -27   15 o    6.492000      0.5279000       6.875000 0.5643000       6.109000      0.8923000      0.7664000       1.056000
  1 1 1     -15  -27   16 o    6.410000      0.3866000       6.805000 0.4873000       6.015000      0.6002000      0.7901000      0.7731000
  1 1 1     -15  -27   17 o    3.608000      0.6129000       4.105000 0.7366000       3.110000      0.9798000      0.9951000       1.226000
  1 1 1     -15  -27   18 o    2.038000      0.6105000       2.241000 0.8833000       1.835000      0.8431000      0.4058000       1.221000
  1 1 1     -15  -27   19 o    4.913000      0.5391000       5.494000 0.6298000       4.333000      0.8752000       1.161000       1.078000
  1 1 1     -15  -27   20 o    2.581000      0.6676000       2.235000 0.8756000       2.926000       1.008000     -0.6911000       1.335000
  1 1 1     -15  -27   21 o    3.557000      0.6806000       3.961000 0.8453000       3.153000       1.067000      0.8084000       1.361000
  1 1 1     -15  -27   22 o    3.156000      0.6699000       2.121000 0.9081000       4.191000      0.9850000      -2.070000       1.340000
  1 1 1     -15  -27   23 o    3.414000      0.6254000       4.689000 0.8520000       2.138000      0.9158000       2.551000       1.251000
  1 1 1     -15  -27   24 o    1.840000      0.5886000       1.784000 0.8194000       1.895000      0.8452000     -0.1111000       1.177000
  1 1 1     -15  -27   25 o    3.255000      0.6426000       3.992000 0.8620000       2.518000      0.9532000       1.474000       1.285000
  1 1 1     -15  -26    1 o    10.48000      0.2627000       10.41000 0.3147000       10.56000      0.4207000     -0.1447000      0.5253000
  1 1 1     -15  -26    2 f    9.062000      0.2290000       9.034000 0.3239000       9.090000      0.3239000     -0.5680000E-01  0.4581000
  1 1 1     -15  -26    3 o    1.962000      0.4910000       2.225000 0.6906000       1.699000      0.6980000      0.5261000      0.9819000
  1 1 1     -15  -26    4 o    4.218000      0.3777000       4.694000 0.4143000       3.743000      0.6316000      0.9505000      0.7553000
  1 1 1     -15  -26    5 o    6.362000      0.2775000       6.603000 0.3619000       6.121000      0.4208000      0.4816000      0.5550000
  1 1 1     -15  -26    6 o    11.23000      0.2423000       11.06000 0.3465000       11.39000      0.3387000     -0.3301000      0.4845000
  1 1 1     -15  -26    7 o    12.12000      0.2474000       12.27000 0.3510000       11.98000      0.3487000      0.2896000      0.4947000
  1 1 1     -15  -26    8 o    8.867000      0.2549000       9.087000 0.3474000       8.647000      0.3730000      0.4396000      0.5097000
  1 1 1     -15  -26    9 o    6.257000      0.3190000       6.976000 0.3929000       5.539000      0.5025000       1.436000      0.6379000
  1 1 1     -15  -26   10 o    5.062000      0.5548000       5.421000 0.9720000       4.704000      0.5351000      0.7164000       1.110000
  1 1 1     -15  -26   11 o    7.600000      0.4649000       7.140000 0.7647000       8.060000      0.5289000     -0.9201000      0.9298000
  1 1 1     -15  -26   12 o    6.561000      0.5446000       7.020000 0.8819000       6.103000      0.6390000      0.9176000       1.089000
  1 1 1     -15  -26   13 o    2.282000      0.6164000       2.468000 0.8767000       2.095000      0.8667000      0.3731000       1.233000
  1 1 1     -15  -26   14 o    3.958000      0.5470000       4.026000 0.6805000       3.890000      0.8565000      0.1362000       1.094000
  1 1 1     -15  -26   15 o    8.379000      0.3011000       8.212000 0.4070000       8.546000      0.4438000     -0.3341000      0.6022000
  1 1 1     -15  -26   16 o    2.604000      0.7222000       1.706000 0.7897000       3.503000       1.209000      -1.798000       1.444000
  1 1 1     -15  -26   17 f    3.586000      0.7684000       3.317000 0.8832000       3.855000       1.258000     -0.5378000       1.537000
  1 1 1     -15  -26   18 o    5.132000      0.4885000       5.090000 0.6334000       5.174000      0.7439000     -0.8377000E-01  0.9770000
  1 1 1     -15  -26   19 o    2.043000      0.5965000       2.346000 0.8780000       1.740000      0.8078000      0.6054000       1.193000
  1 1 1     -15  -26   20 o    3.359000      0.6509000       4.008000 0.8165000       2.709000       1.014000       1.299000       1.302000
  1 1 1     -15  -26   21 o    3.487000      0.7015000       3.398000 0.9381000       3.576000       1.043000     -0.1773000       1.403000
  1 1 1     -15  -26   22 o    5.547000      0.4792000       5.727000 0.6112000       5.367000      0.7382000      0.3605000      0.9583000
  1 1 1     -15  -26   23 o    5.939000      0.4549000       5.542000 0.6813000       6.336000      0.6031000     -0.7942000      0.9098000
  1 1 1     -15  -26   24 o    2.622000      0.6954000       2.889000 1.013000       2.355000      0.9527000      0.5340000       1.391000
  1 1 1     -15  -26   25 o    2.157000      0.6281000       1.686000 0.7883000       2.628000      0.9780000     -0.9425000       1.256000
  1 1 1     -15  -26   26 o    1.996000      0.6148000       1.990000 0.8625000       2.001000      0.8763000     -0.1119000E-01   1.230000
  1 1 1     -15  -25    1 o    4.111000      0.3329000       3.741000 0.5073000       4.480000      0.4312000     -0.7383000      0.6658000
  1 1 1     -15  -25    2 o    5.650000      0.2788000       5.762000 0.3744000       5.538000      0.4132000      0.2239000      0.5576000
  1 1 1     -15  -25    3 o    5.166000      0.2809000       5.566000 0.3595000       4.766000      0.4317000      0.7997000      0.5618000
  1 1 1     -15  -25    4 o    2.956000      0.4844000       2.667000 0.6908000       3.245000      0.6793000     -0.5779000      0.9689000
  1 1 1     -15  -25    5 o    8.853000      0.2355000       8.868000 0.3351000       8.838000      0.3310000      0.3027000E-01  0.4710000
  1 1 1     -15  -25    6 o    8.728000      0.2430000       9.042000 0.3321000       8.414000      0.3549000      0.6279000      0.4860000
  1 1 1     -15  -25    7 o    14.84000      0.2570000       14.75000 0.3610000       14.94000      0.3659000     -0.1863000      0.5140000
  1 1 1     -15  -25    8 o    7.550000      0.2738000       7.771000 0.3748000       7.329000      0.3992000      0.4418000      0.5476000
  1 1 1     -15  -25    9 o    6.607000      0.2944000       6.415000 0.4122000       6.798000      0.4204000     -0.3822000      0.5887000
  1 1 1     -15  -25   10 o    4.895000      0.3718000       4.675000 0.5189000       5.116000      0.5326000     -0.4413000      0.7435000
  1 1 1     -15  -25   11 o    4.602000      0.4175000       4.585000 0.5514000       4.619000      0.6272000     -0.3422000E-01  0.8351000
  1 1 1     -15  -25   12 o    2.488000      0.5986000       2.166000 0.8010000       2.810000      0.8897000     -0.6440000       1.197000
  1 1 1     -15  -25   13 f    2.431000      0.6667000       1.899000 0.8997000       2.963000      0.9840000      -1.064000       1.333000
  1 1 1     -15  -25   14 o    4.778000      0.7473000       4.275000 1.248000       5.280000      0.8228000      -1.004000       1.495000
  1 1 1     -15  -25   15 o    4.287000      0.6104000       4.728000 0.6223000       3.847000       1.050000      0.8809000       1.221000
  1 1 1     -15  -25   16 o    6.092000      0.3732000       6.020000 0.4853000       6.164000      0.5671000     -0.1445000      0.7464000
  1 1 1     -15  -25   17 o    5.642000      0.4281000       6.309000 0.5085000       4.975000      0.6889000       1.335000      0.8562000
  1 1 1     -15  -25   18 o    4.785000      0.6464000       4.970000 0.6692000       4.600000       1.106000      0.3707000       1.293000
  1 1 1     -15  -25   19 o    2.771000      0.7617000       2.595000 0.9495000       2.948000       1.191000     -0.3537000       1.523000
  1 1 1     -15  -25   20 o    3.005000      0.6684000       3.099000 0.8926000       2.912000      0.9951000      0.1864000       1.337000
  1 1 1     -15  -25   21 o    3.237000      0.6969000       2.847000 0.9252000       3.626000       1.042000     -0.7784000       1.394000
  1 1 1     -15  -25   22 o    3.004000      0.6996000       3.468000 0.9593000       2.539000       1.019000      0.9296000       1.399000
  1 1 1     -15  -25   23 o    3.018000      0.6904000       2.509000 0.9435000       3.528000       1.008000      -1.019000       1.381000
  1 1 1     -15  -25   24 o    2.285000      0.6637000       2.250000 0.9365000       2.319000      0.9406000     -0.6850000E-01   1.327000
  1 1 1     -15  -25   25 o    3.130000      0.6959000       3.334000 0.9479000       2.925000       1.019000      0.4091000       1.392000
  1 1 1     -15  -25   26 o    3.387000      0.6536000       4.188000 0.8546000       2.585000      0.9892000       1.603000       1.307000
  1 1 1     -15  -25   27 o    4.735000      0.5592000       4.963000 0.7369000       4.506000      0.8414000      0.4575000       1.118000
  1 1 1     -15  -24    1 o    10.97000      0.2215000       10.58000 0.3160000       11.37000      0.3105000     -0.7846000      0.4430000
  1 1 1     -15  -24    2 o    13.87000      0.2392000       13.95000 0.3388000       13.80000      0.3379000      0.1506000      0.4785000
  1 1 1     -15  -24    3 o    1.461000      0.4528000       1.430000 0.6213000       1.493000      0.6587000     -0.6381000E-01  0.9055000
  1 1 1     -15  -24    4 o    4.568000      0.3351000       4.549000 0.4629000       4.587000      0.4847000     -0.3800000E-01  0.6702000
  1 1 1     -15  -24    5 o    4.027000      0.3785000       3.897000 0.5007000       4.156000      0.5678000     -0.2594000      0.7570000
  1 1 1     -15  -24    6 o    2.771000      0.4983000       3.412000 0.6202000       2.131000      0.7800000       1.281000      0.9965000
  1 1 1     -15  -24    7 o    7.981000      0.2626000       8.797000 0.3407000       7.164000      0.3995000       1.633000      0.5251000
  1 1 1     -15  -24    8 o    1.874000      0.5245000       1.652000 0.7002000       2.096000      0.7810000     -0.4445000       1.049000
  1 1 1     -15  -24    9 o    7.164000      0.2792000       7.477000 0.3768000       6.851000      0.4122000      0.6263000      0.5585000
  1 1 1     -15  -24   10 o    4.789000      0.3837000       5.364000 0.4290000       4.215000      0.6362000       1.149000      0.7673000
  1 1 1     -15  -24   11 o    7.127000      0.2894000       7.446000 0.3791000       6.808000      0.4373000      0.6380000      0.5787000
  1 1 1     -15  -24   12 o    4.704000      0.3997000       4.198000 0.5652000       5.210000      0.5652000      -1.012000      0.7993000
  1 1 1     -15  -24   13 o    6.524000      0.3228000       6.939000 0.4291000       6.109000      0.4823000      0.8303000      0.6456000
  1 1 1     -15  -24   14 o    4.356000      0.4725000       4.266000 0.6270000       4.446000      0.7071000     -0.1799000      0.9450000
  1 1 1     -15  -24   15 o    7.463000      0.5243000       7.190000 0.8450000       7.735000      0.6207000     -0.5453000       1.049000
  1 1 1     -15  -24   16 o    6.147000      0.5927000       6.393000 0.9145000       5.900000      0.7541000      0.4927000       1.185000
  1 1 1     -15  -24   17 o    2.473000      0.6108000       2.879000 0.8169000       2.067000      0.9082000      0.8114000       1.222000
  1 1 1     -15  -24   18 f    6.329000      0.3674000       6.264000 0.5053000       6.393000      0.5333000     -0.1290000      0.7347000
  1 1 1     -15  -24   19 o    2.549000      0.6303000       2.977000 0.8802000       2.121000      0.9023000      0.8551000       1.261000
  1 1 1     -15  -24   20 o    2.824000      0.7270000       3.395000 1.013000       2.254000       1.043000       1.141000       1.454000
  1 1 1     -15  -24   21 o    2.821000       1.035000       2.821000 1.035000                  ?              ?              ?              ?
  1 1 1     -15  -24   22 o    2.625000      0.6736000       2.946000 0.9569000       2.303000      0.9483000      0.6439000       1.347000
  1 1 1     -15  -24   23 o    2.855000       1.025000                  ?       ?   2.855000       1.025000                  ?              ?
  1 1 1     -15  -24   24 o    2.873000      0.7163000       2.892000 1.012000       2.855000       1.014000      0.3634000E-01   1.433000
  1 1 1     -15  -24   25 o    3.748000      0.6754000       3.998000 0.8918000       3.498000       1.015000      0.4995000       1.351000
  1 1 1     -15  -24   26 o    2.404000      0.6707000       2.333000 0.9113000       2.475000      0.9843000     -0.1418000       1.341000
  1 1 1     -15  -24   27 o    2.114000      0.6410000       2.129000 0.9104000       2.100000      0.9027000      0.2838000E-01   1.282000
  1 1 1     -15  -24   28 o    2.940000      0.6701000       3.191000 0.9377000       2.689000      0.9577000      0.5020000       1.340000
  1 1 1     -15  -23    1 o    6.490000      0.2368000       6.769000 0.3106000       6.211000      0.3576000      0.5579000      0.4736000
  1 1 1     -15  -23    2 o    3.218000      0.4155000       3.149000 0.5937000       3.288000      0.5814000     -0.1389000      0.8310000
  1 1 1     -15  -23    3 o    9.712000      0.2308000       9.816000 0.3291000       9.609000      0.3236000      0.2073000      0.4616000
  1 1 1     -15  -23    4 o    5.373000      0.2846000       5.585000 0.3732000       5.162000      0.4298000      0.4230000      0.5692000
  1 1 1     -15  -23    5 o    7.209000      0.2604000       7.391000 0.3653000       7.027000      0.3711000      0.3642000      0.5207000
  1 1 1     -15  -23    6 o    13.04000      0.2435000       12.63000 0.3406000       13.45000      0.3480000     -0.8209000      0.4869000
  1 1 1     -15  -23    7 o    4.844000      0.3515000       4.341000 0.5250000       5.347000      0.4676000      -1.006000      0.7031000
  1 1 1     -15  -23    8 o    3.759000      0.4268000       3.406000 0.6329000       4.112000      0.5729000     -0.7059000      0.8537000
  1 1 1     -15  -23    9 o    1.639000      0.5075000       1.511000 0.6772000       1.767000      0.7561000     -0.2556000       1.015000
  1 1 1     -15  -23   10 o    2.204000      0.5493000       2.211000 0.7488000       2.197000      0.8039000      0.1366000E-01   1.099000
  1 1 1     -15  -23   11 f    2.986000      0.5541000       2.661000 0.8037000       3.310000      0.7631000     -0.6494000       1.108000
  1 1 1     -15  -23   12 o    6.101000      0.3265000       5.888000 0.4565000       6.314000      0.4668000     -0.4263000      0.6529000
  1 1 1     -15  -23   13 o    13.16000      0.2634000       12.97000 0.3645000       13.35000      0.3803000     -0.3751000      0.5268000
  1 1 1     -15  -23   14 o    10.31000      0.2690000       10.28000 0.3679000       10.34000      0.3925000     -0.6037000E-01  0.5379000
  1 1 1     -15  -23   15 o    1.826000      0.5350000       2.129000 0.7974000       1.524000      0.7135000      0.6055000       1.070000
  1 1 1     -15  -23   16 o    4.754000      0.4545000       4.815000 0.6057000       4.693000      0.6778000      0.1216000      0.9090000
  1 1 1     -15  -23   17 o    2.784000      0.7478000       3.282000 1.163000       2.286000      0.9406000      0.9961000       1.496000
  1 1 1     -15  -23   18 o    4.188000      0.7803000       3.573000 1.241000       4.802000      0.9459000      -1.229000       1.561000
  1 1 1     -15  -23   19 o    5.075000      0.4773000       5.700000 0.5535000       4.450000      0.7778000       1.250000      0.9546000
  1 1 1     -15  -23   20 o    5.258000      0.4678000       4.811000 0.6577000       5.705000      0.6654000     -0.8941000      0.9356000
  1 1 1     -15  -23   21 o    4.800000      0.6767000       4.818000 0.6724000       4.782000       1.175000      0.3596000E-01   1.353000
  1 1 1     -15  -23   22 o    4.723000      0.7544000       4.712000 0.8760000       4.733000       1.229000     -0.2135000E-01   1.509000
  1 1 1     -15  -23   23 o    2.008000      0.6026000       1.599000 0.7365000       2.417000      0.9540000     -0.8179000       1.205000
  1 1 1     -15  -23   24 o    1.975000      0.6094000       2.374000 0.9537000       1.576000      0.7588000      0.7981000       1.219000
  1 1 1     -15  -23   25 o    4.775000      0.5607000       4.560000 0.7793000       4.991000      0.8063000     -0.4307000       1.121000
  1 1 1     -15  -23   26 o    3.293000      0.6802000       3.007000 0.9480000       3.579000      0.9756000     -0.5727000       1.360000
  1 1 1     -15  -23   27 o    3.601000      0.6668000       3.381000 0.9846000       3.820000      0.8993000     -0.4390000       1.334000
  1 1 1     -15  -23   28 o    2.853000      0.6685000       2.397000 0.9509000       3.309000      0.9399000     -0.9125000       1.337000
  1 1 1     -15  -23   29 o    2.832000      0.6610000       3.426000 0.9406000       2.239000      0.9289000       1.188000       1.322000
  1 1 1     -15  -22    1 o    7.663000      0.2217000       7.623000 0.3113000       7.703000      0.3159000     -0.8045000E-01  0.4435000
  1 1 1     -15  -22    2 o    12.82000      0.2312000       12.59000 0.3277000       13.05000      0.3263000     -0.4607000      0.4624000
  1 1 1     -15  -22    3 o    4.717000      0.2904000       4.399000 0.4072000       5.035000      0.4141000     -0.6359000      0.5807000
  1 1 1     -15  -22    4 o    3.267000      0.4366000       3.982000 0.4719000       2.551000      0.7348000       1.431000      0.8732000
  1 1 1     -15  -22    5 o    7.692000      0.2470000       7.500000 0.3487000       7.883000      0.3501000     -0.3829000      0.4941000
  1 1 1     -15  -22    6 o    3.482000      0.4113000       3.458000 0.5592000       3.505000      0.6033000     -0.4704000E-01  0.8226000
  1 1 1     -15  -22    7 o    5.438000      0.3059000       5.307000 0.4064000       5.569000      0.4572000     -0.2615000      0.6117000
  1 1 1     -15  -22    8 o    12.17000      0.2423000       12.02000 0.3354000       12.31000      0.3498000     -0.2947000      0.4846000
  1 1 1     -15  -22    9 o    4.182000      0.4169000       4.303000 0.5312000       4.061000      0.6427000      0.2420000      0.8338000
  1 1 1     -15  -22   10 o    2.750000      0.5504000       2.747000 0.7704000       2.753000      0.7864000     -0.6805000E-02   1.101000
  1 1 1     -15  -22   11 o    10.20000      0.2521000       10.35000 0.3536000       10.05000      0.3595000      0.3003000      0.5043000
  1 1 1     -15  -22   12 o    4.896000      0.3758000       4.777000 0.5024000       5.016000      0.5591000     -0.2396000      0.7517000
  1 1 1     -15  -22   13 o    9.446000      0.2675000       9.737000 0.3635000       9.155000      0.3925000      0.5816000      0.5349000
  1 1 1     -15  -22   14 o    8.381000      0.2850000       8.311000 0.3856000       8.450000      0.4198000     -0.1387000      0.5700000
  1 1 1     -15  -22   15 o    7.588000      0.2961000       7.828000 0.4008000       7.349000      0.4360000      0.4794000      0.5922000
  1 1 1     -15  -22   16 o    2.501000      0.6139000       2.502000 0.8485000       2.501000      0.8873000      0.5934000E-03   1.228000
  1 1 1     -15  -22   17 o    3.056000      0.5891000       3.382000 0.7537000       2.730000      0.9056000      0.6520000       1.178000
  1 1 1     -15  -22   18 o    8.186000      0.3272000       8.471000 0.4356000       7.901000      0.4884000      0.5702000      0.6544000
  1 1 1     -15  -22   19 o    5.264000      0.7248000       4.945000 1.169000       5.584000      0.8568000     -0.6387000       1.450000
  1 1 1     -15  -22   20 o    4.668000      0.7606000       3.899000 1.265000       5.437000      0.8446000      -1.538000       1.521000
  1 1 1     -15  -22   21 o    3.272000      0.6781000       3.381000 0.9163000       3.163000      0.9999000      0.2183000       1.356000
  1 1 1     -15  -22   22 o    1.729000      0.5622000       1.910000 0.8425000       1.548000      0.7447000      0.3621000       1.124000
  1 1 1     -15  -22   23 o    4.105000      0.7923000       4.028000 1.018000       4.181000       1.215000     -0.1527000       1.585000
  1 1 1     -15  -22   24 o    4.904000      0.7280000       5.812000 0.7803000       3.996000       1.229000       1.816000       1.456000
  1 1 1     -15  -22   25 o    8.521000      0.3468000       8.668000 0.4747000       8.375000      0.5056000      0.2935000      0.6935000
  1 1 1     -15  -22   26 o    2.322000      0.6678000       2.257000 0.9264000       2.387000      0.9620000     -0.1298000       1.336000
  1 1 1     -15  -22   27 o    1.842000      0.5899000       2.030000 0.8799000       1.654000      0.7859000      0.3761000       1.180000
  1 1 1     -15  -22   28 o    2.885000      0.6627000       3.537000 0.9598000       2.233000      0.9141000       1.304000       1.325000
  1 1 1     -15  -22   29 o    4.493000      0.5337000       4.473000 0.7515000       4.514000      0.7580000     -0.4101000E-01   1.067000
  1 1 1     -15  -22   30 o    5.132000      0.6239000       5.385000 1.012000       4.879000      0.7298000      0.5059000       1.248000
  1 1 1     -15  -21    1 o    11.75000      0.2219000       12.13000 0.3150000       11.37000      0.3125000      0.7639000      0.4437000
  1 1 1     -15  -21    2 o    3.528000      0.3627000       3.631000 0.4439000       3.426000      0.5736000      0.2051000      0.7253000
  1 1 1     -15  -21    3 o    6.920000      0.2346000       6.973000 0.3233000       6.868000      0.3401000      0.1051000      0.4693000
  1 1 1     -15  -21    4 o    5.103000      0.2718000       5.072000 0.3742000       5.134000      0.3942000     -0.6135000E-01  0.5435000
  1 1 1     -15  -21    5 o    14.90000      0.2504000       15.18000 0.3568000       14.62000      0.3514000      0.5623000      0.5008000
  1 1 1     -15  -21    6 o    2.651000      0.4739000       2.025000 0.6992000       3.277000      0.6399000      -1.252000      0.9478000
  1 1 1     -15  -21    7 o    5.583000      0.2931000       5.515000 0.3890000       5.652000      0.4385000     -0.1371000      0.5861000
  1 1 1     -15  -21    8 o    7.625000      0.2669000       8.007000 0.3523000       7.243000      0.4011000      0.7641000      0.5339000
  1 1 1     -15  -21    9 o    6.591000      0.2735000       6.863000 0.3661000       6.319000      0.4064000      0.5437000      0.5470000
  1 1 1     -15  -21   10 o    4.325000      0.3880000       4.428000 0.4985000       4.223000      0.5948000      0.2058000      0.7760000
  1 1 1     -15  -21   11 o    3.247000      0.4922000       2.901000 0.7065000       3.593000      0.6855000     -0.6928000      0.9844000
  1 1 1     -15  -21   12 o    11.11000      0.2530000       11.26000 0.3562000       10.96000      0.3595000      0.2999000      0.5061000
  1 1 1     -15  -21   13 o    9.267000      0.2673000       8.856000 0.3769000       9.677000      0.3793000     -0.8204000      0.5347000
  1 1 1     -15  -21   14 o    6.571000      0.3156000       6.760000 0.4273000       6.383000      0.4645000      0.3769000      0.6311000
  1 1 1     -15  -21   15 o    10.46000      0.2665000       10.51000 0.3711000       10.40000      0.3827000      0.1162000      0.5331000
  1 1 1     -15  -21   16 o    5.144000      0.4285000       5.231000 0.5663000       5.058000      0.6432000      0.1732000      0.8570000
  1 1 1     -15  -21   17 o    4.546000      0.4418000       4.320000 0.6286000       4.773000      0.6209000     -0.4531000      0.8835000
  1 1 1     -15  -21   18 o    1.611000      0.5242000       1.335000 0.6430000       1.887000      0.8281000     -0.5515000       1.048000
  1 1 1     -15  -21   19 o    7.664000      0.3186000       7.348000 0.4510000       7.981000      0.4502000     -0.6322000      0.6373000
  1 1 1     -15  -21   20 o    2.917000      0.7887000       3.610000 1.230000       2.224000      0.9872000       1.385000       1.577000
  1 1 1     -15  -21   21 o    3.874000      0.8054000       4.823000 1.166000       2.924000       1.112000       1.899000       1.611000
  1 1 1     -15  -21   22 o    6.435000      0.3912000       7.168000 0.5253000       5.702000      0.5797000       1.466000      0.7823000
  1 1 1     -15  -21   23 o    2.597000      0.6762000       2.341000 0.9315000       2.853000      0.9803000     -0.5121000       1.352000
  1 1 1     -15  -21   24 o    6.561000      0.5952000       6.478000 0.7390000       6.645000      0.9332000     -0.1669000       1.190000
  1 1 1     -15  -21   25 o    4.044000      0.7866000       4.746000 0.9559000       3.341000       1.249000       1.405000       1.573000
  1 1 1     -15  -21   26 o    5.734000      0.4590000       5.536000 0.6404000       5.931000      0.6577000     -0.3948000      0.9180000
  1 1 1     -15  -21   27 o    4.760000      0.5504000       5.114000 0.6955000       4.405000      0.8532000      0.7092000       1.101000
  1 1 1     -15  -21   28 o    3.191000      0.6643000       3.315000 0.9241000       3.067000      0.9546000      0.2478000       1.329000
  1 1 1     -15  -21   29 o    3.948000      0.6131000       3.516000 0.9559000       4.381000      0.7681000     -0.8653000       1.226000
  1 1 1     -15  -21   30 o    2.253000      0.6489000       2.438000 0.9453000       2.068000      0.8892000      0.3708000       1.298000
  1 1 1     -15  -20    1 o    10.31000      0.2860000       10.71000 0.3838000       9.915000      0.4240000      0.7976000      0.5719000
  1 1 1     -15  -20    2 o    6.328000      0.3023000       6.066000 0.3780000       6.589000      0.4718000     -0.5231000      0.6046000
  1 1 1     -15  -20    3 o    2.875000      0.5306000       2.744000 0.6331000       3.006000      0.8517000     -0.2613000       1.061000
  1 1 1     -15  -20    4 o    2.115000      0.4744000       2.473000 0.6541000       1.757000      0.6872000      0.7159000      0.9488000
  1 1 1     -15  -20    5 o    8.169000      0.2317000       7.768000 0.3344000       8.570000      0.3208000     -0.8013000      0.4634000
  1 1 1     -15  -20    6 o    2.849000      0.4738000       2.271000 0.6930000       3.427000      0.6464000      -1.156000      0.9477000
  1 1 1     -15  -20    7 o    4.229000      0.3765000       4.723000 0.4459000       3.735000      0.6068000      0.9878000      0.7531000
  1 1 1     -15  -20    8 o    9.860000      0.2287000       10.01000 0.3201000       9.713000      0.3268000      0.2931000      0.4575000
  1 1 1     -15  -20    9 o    2.954000      0.5147000       2.656000 0.7145000       3.251000      0.7411000     -0.5947000       1.029000
  1 1 1     -15  -20   10 o    9.047000      0.2440000       8.837000 0.3350000       9.257000      0.3550000     -0.4198000      0.4881000
  1 1 1     -15  -20   11 o    11.32000      0.2526000       11.46000 0.3492000       11.17000      0.3650000      0.2823000      0.5051000
  1 1 1     -15  -20   12 o    7.467000      0.2669000       7.491000 0.3661000       7.443000      0.3883000      0.4723000E-01  0.5337000
  1 1 1     -15  -20   13 o    4.530000      0.4177000       5.202000 0.4757000       3.859000      0.6867000       1.344000      0.8354000
  1 1 1     -15  -20   14 o    10.11000      0.2635000       9.904000 0.3701000       10.33000      0.3752000     -0.4214000      0.5270000
  1 1 1     -15  -20   15 o    9.677000      0.2673000       9.360000 0.3713000       9.995000      0.3847000     -0.6348000      0.5347000
  1 1 1     -15  -20   16 o    4.418000      0.4451000       4.913000 0.5739000       3.923000      0.6805000      0.9893000      0.8902000
  1 1 1     -15  -20   17 o    12.84000      0.2771000       13.00000 0.3891000       12.67000      0.3945000      0.3368000      0.5541000
  1 1 1     -15  -20   18 o    5.640000      0.4052000       6.084000 0.5071000       5.196000      0.6321000      0.8884000      0.8103000
  1 1 1     -15  -20   19 o    10.09000      0.2844000       10.26000 0.3899000       9.916000      0.4142000      0.3443000      0.5688000
  1 1 1     -15  -20   20 o    6.752000      0.3666000       7.330000 0.4506000       6.175000      0.5785000       1.156000      0.7333000
  1 1 1     -15  -20   21 o    4.365000      0.5542000       4.748000 0.6637000       3.982000      0.8877000      0.7656000       1.108000
  1 1 1     -15  -20   22 o    5.182000       1.081000       5.182000 1.081000                  ?              ?              ?              ?
  1 1 1     -15  -20   23 o    3.465000      0.6473000       4.169000 0.8408000       2.760000      0.9843000       1.409000       1.295000
  1 1 1     -15  -20   24 o    5.245000      0.7368000                  ?       ?   5.245000      0.7368000                  ?              ?
  1 1 1     -15  -20   25 o    5.402000      0.7239000       5.505000 0.9071000       5.298000       1.128000      0.2068000       1.448000
  1 1 1     -15  -20   26 o    3.159000      0.8378000       3.139000 1.098000       3.178000       1.266000     -0.3906000E-01   1.676000
  1 1 1     -15  -20   27 o    3.799000      0.6408000       4.160000 0.8371000       3.439000      0.9706000      0.7204000       1.282000
  1 1 1     -15  -20   28 o    2.541000      0.6261000       3.234000 0.9369000       1.847000      0.8307000       1.387000       1.252000
  1 1 1     -15  -20   29 o    2.322000      0.6521000       2.216000 0.9092000       2.427000      0.9352000     -0.2117000       1.304000
  1 1 1     -15  -20   30 o    3.202000      0.6913000       3.311000 0.9594000       3.093000      0.9955000      0.2183000       1.383000
  1 1 1     -15  -20   31 o    4.784000      0.5054000       4.949000 0.6889000       4.618000      0.7396000      0.3318000       1.011000
  1 1 1     -15  -19    1 o    2.809000      0.4050000       3.542000 0.4616000       2.076000      0.6657000       1.466000      0.8101000
  1 1 1     -15  -19    2 f    5.622000      0.2456000       5.519000 0.3536000       5.724000      0.3409000     -0.2047000      0.4912000
  1 1 1     -15  -19    3 o    13.36000      0.2827000       13.16000 0.3244000       13.56000      0.4631000     -0.4021000      0.5654000
  1 1 1     -15  -19    4 o    8.790000      0.2929000       8.451000 0.3747000       9.128000      0.4503000     -0.6774000      0.5858000
  1 1 1     -15  -19    5 f    5.404000      0.3736000       5.938000 0.4063000       4.870000      0.6272000       1.068000      0.7473000
  1 1 1     -15  -19    6 o    3.328000      0.4445000       3.389000 0.6133000       3.268000      0.6436000      0.1209000      0.8890000
  1 1 1     -15  -19    7 o    5.952000      0.2841000       6.351000 0.3624000       5.553000      0.4377000      0.7982000      0.5682000
  1 1 1     -15  -19    8 o    5.099000      0.3148000       5.005000 0.4451000       5.193000      0.4454000     -0.1873000      0.6297000
  1 1 1     -15  -19    9 o    2.374000      0.5415000       2.146000 0.7591000       2.602000      0.7723000     -0.4558000       1.083000
  1 1 1     -15  -19   10 o    9.874000      0.2353000       9.931000 0.3335000       9.818000      0.3320000      0.1129000      0.4706000
  1 1 1     -15  -19   11 o    5.314000      0.3450000       4.973000 0.5095000       5.654000      0.4652000     -0.6815000      0.6900000
  1 1 1     -15  -19   12 o    4.046000      0.4403000       3.467000 0.6747000       4.626000      0.5658000      -1.159000      0.8806000
  1 1 1     -15  -19   13 f    1.984000      0.5281000       1.253000 0.6054000       2.715000      0.8654000      -1.462000       1.056000
  1 1 1     -15  -19   14 o    11.53000      0.2647000       11.39000 0.3672000       11.66000      0.3812000     -0.2705000      0.5293000
  1 1 1     -15  -19   15 o    7.112000      0.3058000       7.626000 0.4109000       6.599000      0.4529000       1.027000      0.6115000
  1 1 1     -15  -19   16 o    6.696000      0.3074000       6.548000 0.4174000       6.844000      0.4515000     -0.2966000      0.6148000
  1 1 1     -15  -19   17 o    7.456000      0.3155000       7.742000 0.4190000       7.170000      0.4719000      0.5722000      0.6311000
  1 1 1     -15  -19   18 o    11.90000      0.2707000       12.23000 0.3806000       11.56000      0.3851000      0.6670000      0.5414000
  1 1 1     -15  -19   19 o    6.936000      0.3495000       7.212000 0.4632000       6.659000      0.5234000      0.5529000      0.6989000
  1 1 1     -15  -19   20 o    8.354000      0.3249000       8.438000 0.4499000       8.270000      0.4690000      0.1677000      0.6499000
  1 1 1     -15  -19   21 o    3.380000      0.6296000       2.791000 0.9327000       3.969000      0.8461000      -1.178000       1.259000
  1 1 1     -15  -19   22 o    3.906000      0.5514000       4.451000 0.7987000       3.362000      0.7605000       1.090000       1.103000
  1 1 1     -15  -19   23 o    7.992000      0.5159000       8.590000 0.7821000       7.393000      0.6729000       1.197000       1.032000
  1 1 1     -15  -19   24 o    8.484000      0.5062000                  ?       ?   8.484000      0.5062000                  ?              ?
  1 1 1     -15  -19   25 o    5.698000      0.4774000       5.951000 0.6471000       5.444000      0.7021000      0.5076000      0.9549000
  1 1 1     -15  -19   26 o    2.381000      0.7409000       2.198000 0.9626000       2.565000       1.127000     -0.3664000       1.482000
  1 1 1     -15  -19   27 o    3.339000      0.7645000       3.938000 1.020000       2.739000       1.139000       1.199000       1.529000
  1 1 1     -15  -19   28 o    2.767000      0.6971000       2.456000 0.9745000       3.078000      0.9972000     -0.6221000       1.394000
  1 1 1     -15  -19   29 o    2.353000      0.6636000       2.667000 0.9909000       2.039000      0.8829000      0.6279000       1.327000
  1 1 1     -15  -19   30 o    1.921000      0.5919000       2.173000 0.8956000       1.670000      0.7741000      0.5032000       1.184000
  1 1 1     -15  -19   31 o    2.336000      0.6523000       2.154000 0.8869000       2.518000      0.9568000     -0.3636000       1.305000
  1 1 1     -15  -18    1 o    3.331000      0.5409000       3.260000 0.8308000       3.401000      0.6931000     -0.1405000       1.082000
  1 1 1     -15  -18    2 f    3.251000      0.5730000       3.010000 0.9136000       3.493000      0.6920000     -0.4830000       1.146000
  1 1 1     -15  -18    3 o    11.82000      0.2218000       11.80000 0.3091000       11.84000      0.3183000     -0.3915000E-01  0.4437000
  1 1 1     -15  -18    4 o    3.157000      0.4120000       3.695000 0.4549000       2.620000      0.6871000       1.075000      0.8240000
  1 1 1     -15  -18    5 o    6.568000      0.2371000       6.675000 0.3266000       6.460000      0.3438000      0.2157000      0.4742000
  1 1 1     -15  -18    6 o    7.618000      0.3186000       8.307000 0.3926000       6.929000      0.5018000       1.378000      0.6371000
  1 1 1     -15  -18    7 o    10.58000      0.3054000       11.07000 0.4098000       10.09000      0.4530000      0.9801000      0.6108000
  1 1 1     -15  -18    8 o    3.087000      0.4900000       3.262000 0.6528000       2.912000      0.7308000      0.3500000      0.9799000
  1 1 1     -15  -18    9 o    2.925000      0.4673000       3.976000 0.5470000       1.874000      0.7578000       2.102000      0.9346000
  1 1 1     -15  -18   10 o    2.228000      0.5487000       1.943000 0.7489000       2.512000      0.8023000     -0.5687000       1.097000
  1 1 1     -15  -18   11 o    2.375000      0.5536000       2.285000 0.7742000       2.464000      0.7916000     -0.1788000       1.107000
  1 1 1     -15  -18   12 o    6.797000      0.2954000       7.099000 0.3892000       6.496000      0.4445000      0.6023000      0.5908000
  1 1 1     -15  -18   13 o    11.39000      0.2592000       11.25000 0.3603000       11.54000      0.3727000     -0.2864000      0.5183000
  1 1 1     -15  -18   14 o    4.870000      0.3887000       5.315000 0.5001000       4.424000      0.5952000      0.8907000      0.7775000
  1 1 1     -15  -18   15 o    4.471000      0.4301000       4.358000 0.5932000       4.584000      0.6229000     -0.2256000      0.8602000
  1 1 1     -15  -18   16 o    6.067000      0.3142000       6.044000 0.4391000       6.089000      0.4497000     -0.4439000E-01  0.6285000
  1 1 1     -15  -18   17 o    3.807000      0.5422000       3.464000 0.7956000       4.150000      0.7369000     -0.6856000       1.084000
  1 1 1     -15  -18   18 o    16.67000      0.2923000       16.62000 0.4127000       16.71000      0.4139000     -0.8804000E-01  0.5845000
  1 1 1     -15  -18   19 o    11.97000      0.2788000       12.03000 0.3959000       11.91000      0.3926000      0.1146000      0.5575000
  1 1 1     -15  -18   20 o    8.256000      0.3047000       8.408000 0.4191000       8.105000      0.4424000      0.3031000      0.6094000
  1 1 1     -15  -18   21 o    2.645000      0.6389000       2.682000 0.8851000       2.608000      0.9215000      0.7477000E-01   1.278000
  1 1 1     -15  -18   22 o    10.77000      0.2938000       10.61000 0.4194000       10.93000      0.4116000     -0.3222000      0.5876000
  1 1 1     -15  -18   23 o    8.050000      0.3408000       8.350000 0.4728000       7.750000      0.4909000      0.5997000      0.6816000
  1 1 1     -15  -18   24 o    4.062000      0.7598000       3.381000 1.255000       4.744000      0.8576000      -1.363000       1.520000
  1 1 1     -15  -18   25 o    3.792000      0.6389000       3.573000 0.9259000       4.012000      0.8806000     -0.4396000       1.278000
  1 1 1     -15  -18   26 o    2.445000      0.6676000       1.985000 0.8761000       2.904000       1.008000     -0.9183000       1.335000
  1 1 1     -15  -18   27 o    5.057000      0.7312000       4.873000 0.9156000       5.240000       1.140000     -0.3666000       1.462000
  1 1 1     -15  -18   28 o    2.631000      0.7559000       2.876000 1.078000       2.386000       1.060000      0.4896000       1.512000
  1 1 1     -15  -18   29 o    2.573000      0.6826000       2.734000 0.9765000       2.411000      0.9541000      0.3224000       1.365000
  1 1 1     -15  -18   30 o    2.249000      0.6536000       2.205000 0.9115000       2.292000      0.9371000     -0.8735000E-01   1.307000
  1 1 1     -15  -18   31 o    3.303000      0.6796000       3.386000 0.9432000       3.220000      0.9787000      0.1666000       1.359000
  1 1 1     -15  -18   32 o    3.869000      0.5826000       2.969000 0.9226000       4.769000      0.7117000      -1.800000       1.165000
  1 1 1     -15  -17    1 o    11.73000      0.2151000       11.63000 0.3067000       11.82000      0.3018000     -0.1954000      0.4303000
  1 1 1     -15  -17    2 o    4.110000      0.3001000       4.106000 0.4297000       4.115000      0.4191000     -0.8346000E-02  0.6003000
  1 1 1     -15  -17    3 o    1.608000      0.5158000       1.786000 0.8009000       1.429000      0.6502000      0.3574000       1.032000
  1 1 1     -15  -17    4 o    10.88000      0.3176000       10.72000 0.4698000       11.05000      0.4276000     -0.3233000      0.6352000
  1 1 1     -15  -17    5 o    4.508000      0.3101000       4.710000 0.3910000       4.305000      0.4814000      0.4054000      0.6201000
  1 1 1     -15  -17    6 o    10.99000      0.2256000       11.02000 0.3203000       10.96000      0.3178000      0.5826000E-01  0.4512000
  1 1 1     -15  -17    7 o    9.296000      0.2204000       9.515000 0.3075000       9.077000      0.3158000      0.4378000      0.4408000
  1 1 1     -15  -17    8 o    5.251000      0.3942000       5.098000 0.4991000       5.404000      0.6104000     -0.3063000      0.7885000
  1 1 1     -15  -17    9 o    4.675000      0.4692000       5.243000 0.5042000       4.108000      0.7915000       1.135000      0.9385000
  1 1 1     -15  -17   10 o    6.613000      0.2849000       6.198000 0.4115000       7.027000      0.3942000     -0.8290000      0.5698000
  1 1 1     -15  -17   11 o    9.366000      0.2474000       9.308000 0.3529000       9.423000      0.3468000     -0.1151000      0.4947000
  1 1 1     -15  -17   12 f    7.558000      0.2759000       7.544000 0.3824000       7.571000      0.3977000     -0.2689000E-01  0.5518000
  1 1 1     -15  -17   13 o    5.370000      0.3257000       5.554000 0.4241000       5.185000      0.4945000      0.3688000      0.6514000
  1 1 1     -15  -17   14 o    9.011000      0.2606000       8.998000 0.3657000       9.025000      0.3712000     -0.2697000E-01  0.5211000
  1 1 1     -15  -17   15 o    17.05000      0.2898000       17.24000 0.4110000       16.87000      0.4088000      0.3762000      0.5797000
  1 1 1     -15  -17   16 o    5.562000      0.3616000       5.462000 0.5170000       5.663000      0.5059000     -0.2006000      0.7233000
  1 1 1     -15  -17   17 o    2.039000      0.5216000       2.726000 0.8172000       1.353000      0.6485000       1.373000       1.043000
  1 1 1     -15  -17   18 o    10.94000      0.2745000       10.32000 0.3893000       11.56000      0.3870000      -1.239000      0.5489000
  1 1 1     -15  -17   19 o    19.87000      0.3222000       19.62000 0.4529000       20.12000      0.4583000     -0.5021000      0.6444000
  1 1 1     -15  -17   20 o    3.800000      0.5720000       3.887000 0.7687000       3.713000      0.8474000      0.1738000       1.144000
  1 1 1     -15  -17   21 o    5.742000      0.4150000       6.356000 0.5105000       5.127000      0.6544000       1.229000      0.8300000
  1 1 1     -15  -17   22 o    2.672000      0.6405000       2.979000 0.9175000       2.365000      0.8939000      0.6143000       1.281000
  1 1 1     -15  -17   23 o    11.12000      0.3009000       11.06000 0.4326000       11.19000      0.4183000     -0.1363000      0.6018000
  1 1 1     -15  -17   24 o    4.634000      0.4740000       4.491000 0.6750000       4.777000      0.6656000     -0.2863000      0.9480000
  1 1 1     -15  -17   25 o    7.171000      0.5759000       7.376000 0.9151000       6.967000      0.6996000      0.4088000       1.152000
  1 1 1     -15  -17   26 o    4.199000      0.6101000       4.465000 0.8054000       3.933000      0.9166000      0.5318000       1.220000
  1 1 1     -15  -17   27 o    7.500000      0.3773000       7.399000 0.5275000       7.602000      0.5397000     -0.2030000      0.7547000
  1 1 1     -15  -17   28 o    2.592000      0.7662000       2.328000 0.9666000       2.857000       1.189000     -0.5286000       1.532000
  1 1 1     -15  -17   29 o    2.657000      0.7018000       2.817000 0.9995000       2.497000      0.9856000      0.3201000       1.404000
  1 1 1     -15  -17   30 o    4.949000      0.5231000       4.721000 0.7817000       5.178000      0.6954000     -0.4571000       1.046000
  1 1 1     -15  -17   31 o    6.042000      0.4430000       5.696000 0.6412000       6.388000      0.6115000     -0.6923000      0.8860000
  1 1 1     -15  -17   32 o    5.395000      0.4708000       5.641000 0.6469000       5.148000      0.6841000      0.4931000      0.9416000
  1 1 1     -15  -16    1 o    13.90000      0.2300000       13.98000 0.3288000       13.82000      0.3218000      0.1586000      0.4601000
  1 1 1     -15  -16    2 o    15.38000      0.2450000       15.10000 0.3448000       15.67000      0.3481000     -0.5710000      0.4900000
  1 1 1     -15  -16    3 o    9.587000      0.2098000       9.730000 0.2940000       9.444000      0.2994000      0.2856000      0.4196000
  1 1 1     -15  -16    4 o    15.56000      0.2501000       15.46000 0.3530000       15.66000      0.3543000     -0.2080000      0.5002000
  1 1 1     -15  -16    5 o    8.479000      0.3278000       8.242000 0.4923000       8.716000      0.4330000     -0.4738000      0.6556000
  1 1 1     -15  -16    6 o    11.37000      0.3366000       10.74000 0.4978000       12.00000      0.4531000      -1.260000      0.6731000
  1 1 1     -15  -16    7 o    6.649000      0.2466000       7.125000 0.3297000       6.173000      0.3668000      0.9519000      0.4931000
  1 1 1     -15  -16    8 o    6.912000      0.2478000       7.380000 0.3366000       6.444000      0.3637000      0.9365000      0.4956000
  1 1 1     -15  -16    9 o    2.910000      0.5728000       2.776000 0.7470000       3.043000      0.8685000     -0.2670000       1.146000
  1 1 1     -15  -16   10 o    3.496000      0.5272000       3.665000 0.6565000       3.327000      0.8250000      0.3375000       1.054000
  1 1 1     -15  -16   11 o    9.309000      0.2397000       9.346000 0.3349000       9.272000      0.3431000      0.7453000E-01  0.4795000
  1 1 1     -15  -16   12 o    7.275000      0.2700000       7.335000 0.3793000       7.215000      0.3844000      0.1199000      0.5400000
  1 1 1     -15  -16   13 o    9.012000      0.2575000       8.419000 0.3700000       9.606000      0.3582000      -1.187000      0.5150000
  1 1 1     -15  -16   14 o    4.418000      0.3866000       4.305000 0.5257000       4.530000      0.5669000     -0.2258000      0.7732000
  1 1 1     -15  -16   15 o    15.59000      0.2774000       16.06000 0.3951000       15.12000      0.3895000      0.9452000      0.5548000
  1 1 1     -15  -16   16 o    10.54000      0.2600000       10.56000 0.3642000       10.52000      0.3712000      0.3960000E-01  0.5200000
  1 1 1     -15  -16   17 o    7.189000      0.2946000       6.998000 0.4161000       7.380000      0.4171000     -0.3820000      0.5891000
  1 1 1     -15  -16   18 o    7.780000      0.2995000       7.837000 0.4158000       7.723000      0.4311000      0.1140000      0.5989000
  1 1 1     -15  -16   19 f    11.46000      0.2704000       11.20000 0.3812000       11.71000      0.3836000     -0.5040000      0.5408000
  1 1 1     -15  -16   20 o    10.06000      0.2792000       10.02000 0.3867000       10.11000      0.4029000     -0.9783000E-01  0.5584000
  1 1 1     -15  -16   21 o    11.03000      0.2874000       10.78000 0.4014000       11.28000      0.4115000     -0.5027000      0.5748000
  1 1 1     -15  -16   22 o    3.606000      0.5934000       3.964000 0.7987000       3.248000      0.8777000      0.7160000       1.187000
  1 1 1     -15  -16   23 o    10.69000      0.4074000       10.69000 0.4074000                  ?              ?              ?              ?
  1 1 1     -15  -16   24 o    5.298000      0.4583000       5.803000 0.6123000       4.793000      0.6821000       1.010000      0.9166000
  1 1 1     -15  -16   25 o    5.685000      0.7861000                  ?       ?   5.685000      0.7861000                  ?              ?
  1 1 1     -15  -16   26 o    7.614000      0.5535000       7.792000 0.8540000       7.436000      0.7043000      0.3557000       1.107000
  1 1 1     -15  -16   27 o    3.859000      0.6365000       4.091000 0.8501000       3.626000      0.9477000      0.4651000       1.273000
  1 1 1     -15  -16   28 o    3.771000      0.7192000       4.162000 0.7422000       3.379000       1.232000      0.7834000       1.438000
  1 1 1     -15  -16   29 o    4.555000      0.7695000       4.885000 0.9790000       4.225000       1.188000      0.6599000       1.539000
  1 1 1     -15  -16   30 o    4.583000      0.5810000       4.191000 0.9069000       4.975000      0.7265000     -0.7840000       1.162000
  1 1 1     -15  -16   31 o    5.958000      0.4602000       6.422000 0.6160000       5.494000      0.6839000      0.9284000      0.9204000
  1 1 1     -15  -16   32 o    4.470000      0.5668000       5.265000 0.6459000       3.675000      0.9317000       1.590000       1.134000
  1 1 1     -15  -16   33 o    5.649000      0.4596000       5.430000 0.6944000       5.867000      0.6022000     -0.4372000      0.9191000
  1 1 1     -15  -15    1 o    16.87000      0.2585000       16.52000 0.3606000       17.22000      0.3705000     -0.7046000      0.5170000
  1 1 1     -15  -15    2 o    2.674000      0.4213000       2.587000 0.5887000       2.761000      0.6027000     -0.1739000      0.8426000
  1 1 1     -15  -15    3 o    4.685000      0.2805000       5.374000 0.3499000       3.996000      0.4386000       1.379000      0.5610000
  1 1 1     -15  -15    4 o    5.132000      0.2639000       5.309000 0.3662000       4.955000      0.3800000      0.3548000      0.5277000
  1 1 1     -15  -15    5 o    2.375000      0.4713000       2.116000 0.6800000       2.633000      0.6529000     -0.5172000      0.9427000
  1 1 1     -15  -15    7 o    13.87000      0.3514000       13.53000 0.5042000       14.21000      0.4897000     -0.6853000      0.7029000
  1 1 1     -15  -15    8 o    6.063000      0.2666000       6.094000 0.3702000       6.033000      0.3837000      0.6149000E-01  0.5332000
  1 1 1     -15  -15    9 f    9.623000      0.2312000       9.445000 0.3255000       9.801000      0.3284000     -0.3560000      0.4624000
  1 1 1     -15  -15   10 o    4.383000      0.4849000       4.907000 0.5596000       3.860000      0.7921000       1.047000      0.9699000
  1 1 1     -15  -15   11 o    5.250000      0.4248000       4.779000 0.6014000       5.720000      0.6003000     -0.9411000      0.8497000
  1 1 1     -15  -15   12 o    5.901000      0.2993000       5.730000 0.4246000       6.072000      0.4219000     -0.3424000      0.5985000
  1 1 1     -15  -15   13 o    9.524000      0.2466000       9.543000 0.3477000       9.504000      0.3498000      0.3878000E-01  0.4932000
  1 1 1     -15  -15   14 o    6.745000      0.3473000       6.526000 0.5571000       6.964000      0.4149000     -0.4378000      0.6946000
  1 1 1     -15  -15   15 o    9.926000      0.3165000       10.41000 0.3635000       9.437000      0.5182000      0.9772000      0.6330000
  1 1 1     -15  -15   16 o    9.147000      0.2779000       9.361000 0.3918000       8.933000      0.3943000      0.4283000      0.5559000
  1 1 1     -15  -15   17 o    11.54000      0.2630000       11.61000 0.3670000       11.48000      0.3769000      0.1342000      0.5261000
  1 1 1     -15  -15   18 o    13.03000      0.2719000       12.95000 0.3833000       13.11000      0.3858000     -0.1572000      0.5438000
  1 1 1     -15  -15   19 o    5.244000      0.3996000       4.844000 0.5948000       5.645000      0.5337000     -0.8011000      0.7991000
  1 1 1     -15  -15   20 o    12.61000      0.2727000       12.33000 0.3852000       12.88000      0.3862000     -0.5515000      0.5455000
  1 1 1     -15  -15   21 o    11.19000      0.2731000       10.66000 0.3842000       11.72000      0.3882000      -1.064000      0.5461000
  1 1 1     -15  -15   22 o    11.65000      0.2832000       11.65000 0.4071000       11.66000      0.3937000     -0.7145000E-02  0.5663000
  1 1 1     -15  -15   23 o    2.343000      0.9034000       2.343000 0.9034000                  ?              ?              ?              ?
  1 1 1     -15  -15   24 o    4.450000      0.5386000       4.442000 0.7650000       4.458000      0.7584000     -0.1620000E-01   1.077000
  1 1 1     -15  -15   25 o    6.644000      0.5269000                  ?       ?   6.644000      0.5269000                  ?              ?
  1 1 1     -15  -15   26 o    4.691000      0.7679000       5.069000 1.153000       4.313000       1.015000      0.7569000       1.536000
  1 1 1     -15  -15   27 o    2.238000      0.6282000       2.612000 0.9380000       1.863000      0.8358000      0.7489000       1.256000
  1 1 1     -15  -15   28 o    5.456000      0.4929000       5.442000 0.6790000       5.470000      0.7146000     -0.2751000E-01  0.9857000
  1 1 1     -15  -15   29 o    2.924000      0.7892000       3.229000 1.103000       2.619000       1.129000      0.6096000       1.578000
  1 1 1     -15  -15   30 o    4.548000      0.6068000       4.968000 0.7961000       4.129000      0.9160000      0.8383000       1.214000
  1 1 1     -15  -15   31 o    4.010000      0.6020000       4.149000 0.8610000       3.871000      0.8415000      0.2773000       1.204000
  1 1 1     -15  -15   32 o    8.018000      0.3554000       8.270000 0.4845000       7.766000      0.5202000      0.5047000      0.7109000
  1 1 1     -15  -15   33 o    4.628000      0.5367000       4.763000 0.7558000       4.494000      0.7621000      0.2684000       1.073000
  1 1 1     -15  -14    1 o    3.253000      0.3524000       3.403000 0.4602000       3.104000      0.5337000      0.2992000      0.7047000
  1 1 1     -15  -14    2 o    12.93000      0.2224000       12.69000 0.3117000       13.17000      0.3172000     -0.4818000      0.4447000
  1 1 1     -15  -14    3 o    5.570000      0.2438000       5.698000 0.3315000       5.442000      0.3575000      0.2558000      0.4876000
  1 1 1     -15  -14    4 o    11.57000      0.2178000       11.31000 0.3079000       11.83000      0.3080000     -0.5164000      0.4355000
  1 1 1     -15  -14    5 o    11.09000      0.2192000       11.43000 0.3126000       10.76000      0.3073000      0.6740000      0.4384000
  1 1 1     -15  -14    6 o    3.053000      0.4316000       3.245000 0.5560000       2.861000      0.6603000      0.3837000      0.8632000
  1 1 1     -15  -14    7 o    6.775000      0.3073000       6.568000 0.5046000       6.981000      0.3510000     -0.4137000      0.6147000
  1 1 1     -15  -14    8 o    2.903000      0.6005000       3.591000 0.8508000       2.215000      0.8477000       1.376000       1.201000
  1 1 1     -15  -14    9 o    10.42000      0.2332000       10.44000 0.3246000       10.39000      0.3349000      0.5442000E-01  0.4664000
  1 1 1     -15  -14   10 o    5.138000      0.2944000       4.760000 0.4322000       5.516000      0.3997000     -0.7558000      0.5887000
  1 1 1     -15  -14   11 o    10.27000      0.3247000       10.34000 0.4295000       10.20000      0.4870000      0.1438000      0.6493000
  1 1 1     -15  -14   13 o    8.529000      0.2591000       8.427000 0.3661000       8.631000      0.3669000     -0.2041000      0.5183000
  1 1 1     -15  -14   14 o    7.484000      0.2764000       7.226000 0.3933000       7.741000      0.3886000     -0.5151000      0.5528000
  1 1 1     -15  -14   15 o    7.645000      0.2757000       7.492000 0.3894000       7.798000      0.3904000     -0.3055000      0.5514000
  1 1 1     -15  -14   16 o    11.83000      0.2623000       11.73000 0.3690000       11.93000      0.3729000     -0.2044000      0.5246000
  1 1 1     -15  -14   17 o    10.05000      0.2664000       10.33000 0.3679000       9.762000      0.3853000      0.5672000      0.5328000
  1 1 1     -15  -14   18 o    10.89000      0.2694000       11.06000 0.3787000       10.73000      0.3833000      0.3208000      0.5388000
  1 1 1     -15  -14   19 o    2.149000      0.5869000       2.051000 0.8139000       2.248000      0.8460000     -0.1972000       1.174000
  1 1 1     -15  -14   20 o    8.861000      0.2793000       8.622000 0.3949000       9.099000      0.3950000     -0.4768000      0.5586000
  1 1 1     -15  -14   21 o    16.64000      0.2965000       16.80000 0.4191000       16.49000      0.4194000      0.3089000      0.5929000
  1 1 1     -15  -14   22 o    10.87000      0.2816000       11.03000 0.3952000       10.71000      0.4012000      0.3217000      0.5632000
  1 1 1     -15  -14   23 o    4.203000      0.5324000       5.040000 0.6331000       3.366000      0.8561000       1.674000       1.065000
  1 1 1     -15  -14   24 o    3.913000      0.5873000       3.681000 0.8771000       4.145000      0.7813000     -0.4639000       1.175000
  1 1 1     -15  -14   25 o    3.468000      0.6405000       2.864000 0.9502000       4.072000      0.8592000      -1.209000       1.281000
  1 1 1     -15  -14   26 o    2.635000      0.7627000       2.561000 1.101000       2.709000       1.056000     -0.1483000       1.525000
  1 1 1     -15  -14   27 o    6.760000      0.5753000       6.181000 0.9142000       7.338000      0.6986000      -1.158000       1.151000
  1 1 1     -15  -14   28 o    3.283000      0.6598000       2.638000 0.9722000       3.928000      0.8924000      -1.290000       1.320000
  1 1 1     -15  -14   29 o    2.986000      0.7587000       2.098000 0.8408000       3.874000       1.263000      -1.776000       1.517000
  1 1 1     -15  -14   30 o    4.951000      0.7535000       5.261000 0.9265000       4.641000       1.189000      0.6203000       1.507000
  1 1 1     -15  -14   31 o    1.877000      0.5852000       1.524000 0.7335000       2.230000      0.9120000     -0.7064000       1.170000
  1 1 1     -15  -14   32 o    4.894000      0.5189000       5.319000 0.6651000       4.469000      0.7968000      0.8501000       1.038000
  1 1 1     -15  -14   33 o    3.056000      0.6278000       2.240000 0.9074000       3.871000      0.8679000      -1.630000       1.256000
  1 1 1     -15  -13    1 f    8.757000      0.1978000       8.881000 0.2817000       8.633000      0.2778000      0.2478000      0.3956000
  1 1 1     -15  -13    2 o    7.616000      0.2023000       7.908000 0.2839000       7.324000      0.2883000      0.5845000      0.4046000
  1 1 1     -15  -13    3 o    10.60000      0.2079000       10.50000 0.2929000       10.70000      0.2951000     -0.2013000      0.4157000
  1 1 1     -15  -13    4 o    6.414000      0.2292000       6.513000 0.3177000       6.314000      0.3305000      0.1995000      0.4585000
  1 1 1     -15  -13    5 o    3.543000      0.3689000       2.981000 0.5736000       4.104000      0.4642000      -1.123000      0.7379000
  1 1 1     -15  -13    6 f    13.50000      0.2352000       13.75000 0.3355000       13.26000      0.3296000      0.4801000      0.4704000
  1 1 1     -15  -13    7 o    2.572000      0.4747000       2.791000 0.6423000       2.354000      0.6991000      0.4369000      0.9493000
  1 1 1     -15  -13    8 o    7.064000      0.3077000       7.193000 0.5166000       6.935000      0.3343000      0.2580000      0.6153000
  1 1 1     -15  -13    9 o    5.662000      0.4127000       5.960000 0.6009000       5.365000      0.5659000      0.5951000      0.8254000
  1 1 1     -15  -13   10 o    9.575000      0.2353000       9.323000 0.3302000       9.827000      0.3353000     -0.5047000      0.4706000
  1 1 1     -15  -13   11 o    3.848000      0.3839000       3.826000 0.5210000       3.870000      0.5641000     -0.4383000E-01  0.7679000
  1 1 1     -15  -13   12 o    7.299000      0.3478000       7.598000 0.4592000       7.000000      0.5225000      0.5982000      0.6956000
  1 1 1     -15  -13   13 o    4.657000      0.4329000       4.500000 0.5897000       4.813000      0.6340000     -0.3131000      0.8658000
  1 1 1     -15  -13   14 f    4.954000      0.3632000       5.626000 0.4464000       4.282000      0.5730000       1.344000      0.7264000
  1 1 1     -15  -13   15 o    3.990000      0.4492000       3.337000 0.7220000       4.644000      0.5346000      -1.308000      0.8984000
  1 1 1     -15  -13   16 o    9.013000      0.2636000       9.174000 0.3705000       8.853000      0.3751000      0.3206000      0.5272000
  1 1 1     -15  -13   17 o    5.485000      0.3653000       5.392000 0.5139000       5.578000      0.5193000     -0.1859000      0.7306000
  1 1 1     -15  -13   18 o    15.52000      0.2801000       15.55000 0.3951000       15.49000      0.3972000      0.6779000E-01  0.5603000
  1 1 1     -15  -13   19 o    4.732000      0.4346000       4.382000 0.6498000       5.081000      0.5772000     -0.6986000      0.8692000
  1 1 1     -15  -13   20 o    3.763000      0.5348000       3.748000 0.7495000       3.777000      0.7630000     -0.2934000E-01   1.070000
  1 1 1     -15  -13   21 o    13.71000      0.2794000       13.65000 0.3982000       13.76000      0.3920000     -0.1059000      0.5588000
  1 1 1     -15  -13   22 o    8.292000      0.3073000       9.165000 0.4094000       7.420000      0.4584000       1.745000      0.6146000
  1 1 1     -15  -13   23 o    5.063000      0.4221000       4.735000 0.6422000       5.391000      0.5480000     -0.6557000      0.8442000
  1 1 1     -15  -13   24 o    6.274000      0.3763000       6.223000 0.5390000       6.325000      0.5254000     -0.1014000      0.7527000
  1 1 1     -15  -13   25 o    6.474000      0.3861000       7.042000 0.5084000       5.905000      0.5812000       1.137000      0.7721000
  1 1 1     -15  -13   26 o    4.714000      0.5167000       4.930000 0.6924000       4.498000      0.7672000      0.4318000       1.033000
  1 1 1     -15  -13   27 o    7.812000      0.5020000       8.308000 0.7308000       7.316000      0.6884000      0.9920000       1.004000
  1 1 1     -15  -13   28 o    2.662000      0.6747000       2.500000 0.9387000       2.824000      0.9695000     -0.3245000       1.349000
  1 1 1     -15  -13   29 o    5.560000      0.4676000       5.931000 0.6073000       5.189000      0.7113000      0.7419000      0.9353000
  1 1 1     -15  -13   30 f    3.982000      0.8063000       3.290000 1.112000       4.674000       1.167000      -1.384000       1.613000
  1 1 1     -15  -13   31 o    2.187000      0.6308000       2.094000 0.8807000       2.279000      0.9034000     -0.1854000       1.262000
  1 1 1     -15  -13   32 o    4.805000      0.5311000       3.781000 0.8790000       5.830000      0.5966000      -2.049000       1.062000
  1 1 1     -15  -13   33 o    5.361000      0.5016000       6.158000 0.6059000       4.564000      0.7996000       1.593000       1.003000
  1 1 1     -15  -13   34 o    2.451000      0.6339000       3.069000 0.9635000       1.833000      0.8240000       1.236000       1.268000
  1 1 1     -15  -12    1 o    5.606000      0.2204000       5.819000 0.3001000       5.393000      0.3227000      0.4268000      0.4407000
  1 1 1     -15  -12    2 o    3.246000      0.3558000       3.271000 0.4825000       3.220000      0.5232000      0.5047000E-01  0.7117000
  1 1 1     -15  -12    3 o    10.36000      0.2064000       10.08000 0.2887000       10.64000      0.2950000     -0.5596000      0.4128000
  1 1 1     -15  -12    4 o    13.41000      0.2282000       13.56000 0.3240000       13.27000      0.3215000      0.2815000      0.4564000
  1 1 1     -15  -12    5 o    12.57000      0.2229000       12.54000 0.3142000       12.61000      0.3162000     -0.6495000E-01  0.4458000
  1 1 1     -15  -12    6 o    18.53000      0.2812000       18.77000 0.4006000       18.29000      0.3947000      0.4844000      0.5624000
  1 1 1     -15  -12    7 o    11.51000      0.2235000       11.82000 0.3204000       11.20000      0.3117000      0.6223000      0.4470000
  1 1 1     -15  -12    8 o    9.679000      0.2235000       9.933000 0.3148000       9.424000      0.3173000      0.5093000      0.4470000
  1 1 1     -15  -12    9 o    6.280000      0.3771000       6.356000 0.5536000       6.204000      0.5121000      0.1525000      0.7541000
  1 1 1     -15  -12   10 o    5.894000      0.4024000       6.189000 0.5619000       5.598000      0.5763000      0.5910000      0.8049000
  1 1 1     -15  -12   11 f    9.526000      0.2345000       9.310000 0.3292000       9.743000      0.3342000     -0.4329000      0.4691000
  1 1 1     -15  -12   12 o    7.778000      0.2485000       8.093000 0.3505000       7.464000      0.3525000      0.6295000      0.4971000
  1 1 1     -15  -12   13 o    10.81000      0.3246000       10.62000 0.4471000       11.01000      0.4707000     -0.3874000      0.6492000
  1 1 1     -15  -12   14 o    11.13000      0.2902000       11.36000 0.4668000       10.89000      0.3448000      0.4640000      0.5803000
  1 1 1     -15  -12   15 f    5.774000      0.3130000       5.724000 0.4356000       5.824000      0.4495000     -0.9998000E-01  0.6259000
  1 1 1     -15  -12   16 f    6.203000      0.3029000       6.252000 0.4154000       6.154000      0.4411000      0.9732000E-01  0.6059000
  1 1 1     -15  -12   17 o    1.548000      0.4932000       1.575000 0.7012000       1.521000      0.6939000      0.5426000E-01  0.9865000
  1 1 1     -15  -12   18 o    18.10000      0.2998000       18.45000 0.4295000       17.76000      0.4184000      0.6914000      0.5996000
  1 1 1     -15  -12   19 o    4.836000      0.4265000       5.320000 0.5436000       4.352000      0.6573000      0.9678000      0.8530000
  1 1 1     -15  -12   20 o    8.433000      0.2888000       8.516000 0.4051000       8.350000      0.4117000      0.1658000      0.5776000
  1 1 1     -15  -12   21 o    7.910000      0.2934000       7.871000 0.4141000       7.949000      0.4158000     -0.7833000E-01  0.5868000
  1 1 1     -15  -12   22 o    8.433000      0.3004000       8.020000 0.4322000       8.846000      0.4174000     -0.8261000      0.6008000
  1 1 1     -15  -12   23 o    10.81000      0.2772000       10.57000 0.3935000       11.06000      0.3906000     -0.4900000      0.5545000
  1 1 1     -15  -12   24 o    7.417000      0.4664000       7.417000 0.4664000                  ?              ?              ?              ?
  1 1 1     -15  -12   25 o    9.248000      0.3119000       9.071000 0.4429000       9.425000      0.4394000     -0.3543000      0.6239000
  1 1 1     -15  -12   26 o    5.516000      0.3859000       4.590000 0.5633000       6.442000      0.5277000      -1.852000      0.7718000
  1 1 1     -15  -12   27 o    7.630000      0.5161000       8.071000 0.7694000       7.189000      0.6880000      0.8828000       1.032000
  1 1 1     -15  -12   28 o    5.510000      0.6505000       6.029000 0.9152000       4.990000      0.9247000       1.039000       1.301000
  1 1 1     -15  -12   29 o    3.472000      0.6497000       3.550000 0.8852000       3.395000      0.9511000      0.1545000       1.299000
  1 1 1     -15  -12   30 o    6.256000      0.6023000       6.483000 0.7381000       6.030000      0.9520000      0.4528000       1.205000
  1 1 1     -15  -12   31 o    2.317000      0.6179000       3.011000 0.9746000       1.623000      0.7598000       1.388000       1.236000
  1 1 1     -15  -12   32 o    3.001000      0.6578000       2.447000 0.9558000       3.555000      0.9040000      -1.108000       1.316000
  1 1 1     -15  -12   33 o    5.989000      0.4372000       5.523000 0.6546000       6.455000      0.5796000     -0.9318000      0.8744000
  1 1 1     -15  -12   34 o    2.317000      0.6506000       2.143000 0.8965000       2.490000      0.9431000     -0.3471000       1.301000
  1 1 1     -15  -11    1 o    6.776000      0.2027000       6.805000 0.2804000       6.748000      0.2929000      0.5724000E-01  0.4055000
  1 1 1     -15  -11    2 f    19.77000      0.2904000       20.14000 0.4180000       19.41000      0.4032000      0.7323000      0.5808000
  1 1 1     -15  -11    3 o    14.34000      0.2323000       14.34000 0.3285000       14.35000      0.3285000     -0.1061000E-01  0.4646000
  1 1 1     -15  -11    4 o    16.65000      0.2573000       16.53000 0.3617000       16.78000      0.3659000     -0.2497000      0.5145000
  1 1 1     -15  -11    5 o    12.57000      0.2232000       12.53000 0.3161000       12.61000      0.3152000     -0.7743000E-01  0.4464000
  1 1 1     -15  -11    6 o    10.96000      0.2170000       11.11000 0.3106000       10.82000      0.3032000      0.2881000      0.4341000
  1 1 1     -15  -11    7 o    11.84000      0.2233000       11.80000 0.3162000       11.87000      0.3155000     -0.7189000E-01  0.4467000
  1 1 1     -15  -11    8 o    5.572000      0.2674000       5.507000 0.3800000       5.638000      0.3763000     -0.1318000      0.5348000
  1 1 1     -15  -11    9 o    11.24000      0.2244000       11.23000 0.3177000       11.26000      0.3170000     -0.3076000E-01  0.4488000
  1 1 1     -15  -11   10 o    8.111000      0.3337000       7.873000 0.4869000       8.349000      0.4565000     -0.4764000      0.6674000
  1 1 1     -15  -11   11 o    5.768000      0.4035000       5.485000 0.6126000       6.050000      0.5253000     -0.5652000      0.8070000
  1 1 1     -15  -11   12 o    11.71000      0.2365000       11.93000 0.3376000       11.48000      0.3313000      0.4555000      0.4730000
  1 1 1     -15  -11   13 o    8.740000      0.3389000       9.360000 0.4451000       8.120000      0.5111000       1.239000      0.6778000
  1 1 1     -15  -11   14 o    4.177000      0.5204000       3.564000 0.7624000       4.791000      0.7086000      -1.227000       1.041000
  1 1 1     -15  -11   15 o    4.668000      0.3680000       5.181000 0.4608000       4.154000      0.5739000       1.027000      0.7360000
  1 1 1     -15  -11   16 o    6.176000      0.2915000       6.243000 0.4085000       6.109000      0.4160000      0.1337000      0.5831000
  1 1 1     -15  -11   17 o    2.375000      0.5719000       2.129000 0.7957000       2.621000      0.8217000     -0.4920000       1.144000
  1 1 1     -15  -11   18 o    12.34000      0.2648000       12.18000 0.3718000       12.50000      0.3771000     -0.3220000      0.5296000
  1 1 1     -15  -11   19 o    2.923000      0.5486000       3.646000 0.7226000       2.200000      0.8258000       1.446000       1.097000
  1 1 1     -15  -11   20 o    2.333000      0.5919000       2.596000 0.8558000       2.070000      0.8180000      0.5260000       1.184000
  1 1 1     -15  -11   21 o    11.50000      0.2640000       11.63000 0.3699000       11.37000      0.3769000      0.2538000      0.5281000
  1 1 1     -15  -11   22 o    10.37000      0.2744000       10.76000 0.3842000       9.974000      0.3920000      0.7824000      0.5489000
  1 1 1     -15  -11   23 o    7.199000      0.3327000       6.336000 0.5034000       8.062000      0.4353000      -1.727000      0.6655000
  1 1 1     -15  -11   24 o    5.761000      0.5708000       5.761000 0.5708000                  ?              ?              ?              ?
  1 1 1     -15  -11   25 o    7.186000      0.3493000       7.480000 0.4784000       6.892000      0.5092000      0.5881000      0.6987000
  1 1 1     -15  -11   26 o    9.126000      0.4428000                  ?       ?   9.126000      0.4428000                  ?              ?
  1 1 1     -15  -11   27 o    4.177000      0.7824000       4.741000 1.119000       3.613000       1.094000       1.129000       1.565000
  1 1 1     -15  -11   28 o    11.55000      0.4252000       12.12000 0.6359000       10.98000      0.5647000       1.139000      0.8504000
  1 1 1     -15  -11   29 o    4.421000      0.5700000       4.785000 0.7370000       4.058000      0.8698000      0.7276000       1.140000
  1 1 1     -15  -11   30 o    3.718000      0.8137000       4.337000 1.069000       3.100000       1.227000       1.237000       1.627000
  1 1 1     -15  -11   31 o    5.775000      0.7096000       6.076000 0.8228000       5.474000       1.156000      0.6022000       1.419000
  1 1 1     -15  -11   32 o    2.442000      0.6372000       2.991000 0.9589000       1.894000      0.8395000       1.097000       1.274000
  1 1 1     -15  -11   33 o    2.164000      0.6310000       2.359000 0.9309000       1.968000      0.8522000      0.3908000       1.262000
  1 1 1     -15  -11   34 o    3.571000      0.6052000       2.808000 0.9403000       4.333000      0.7622000      -1.525000       1.210000
  1 1 1     -15  -10    1 o    2.623000      0.3883000       2.560000 0.5512000       2.686000      0.5471000     -0.1268000      0.7766000
  1 1 1     -15  -10    2 o    12.45000      0.2148000       12.45000 0.3063000       12.44000      0.3013000      0.9256000E-02  0.4296000
  1 1 1     -15  -10    3 o    9.043000      0.1991000       9.045000 0.2846000       9.040000      0.2785000      0.4882000E-02  0.3982000
  1 1 1     -15  -10    4 o    17.90000      0.2699000       18.39000 0.3899000       17.40000      0.3735000      0.9974000      0.5399000
  1 1 1     -15  -10    5 o    7.229000      0.2141000       7.348000 0.2993000       7.109000      0.3062000      0.2385000      0.4282000
  1 1 1     -15  -10    6 o    1.623000      0.4487000       1.582000 0.6365000       1.664000      0.6327000     -0.8145000E-01  0.8974000
  1 1 1     -15  -10    7 o    6.952000      0.2274000       7.130000 0.3231000       6.774000      0.3201000      0.3564000      0.4548000
  1 1 1     -15  -10    8 o    6.464000      0.2384000       6.348000 0.3310000       6.581000      0.3431000     -0.2333000      0.4767000
  1 1 1     -15  -10    9 o    5.322000      0.2742000       5.326000 0.3796000       5.319000      0.3958000      0.7062000E-02  0.5484000
  1 1 1     -15  -10   10 o    8.831000      0.2311000       8.199000 0.3294000       9.463000      0.3242000      -1.264000      0.4621000
  1 1 1     -15  -10   11 o    5.048000      0.4384000       5.592000 0.6123000       4.505000      0.6277000       1.086000      0.8769000
  1 1 1     -15  -10   12 o    5.443000      0.2961000       5.688000 0.3986000       5.199000      0.4381000      0.4887000      0.5923000
  1 1 1     -15  -10   13 o    4.199000      0.3651000       4.111000 0.5278000       4.288000      0.5046000     -0.1774000      0.7302000
  1 1 1     -15  -10   14 o    10.32000      0.3376000       10.25000 0.4612000       10.40000      0.4932000     -0.1535000      0.6752000
  1 1 1     -15  -10   15 o    2.578000      0.5276000       3.219000 0.7198000       1.937000      0.7715000       1.281000       1.055000
  1 1 1     -15  -10   16 o    7.406000      0.2774000       6.658000 0.4052000       8.155000      0.3791000      -1.497000      0.5548000
  1 1 1     -15  -10   17 o    4.098000      0.4279000       4.099000 0.6098000       4.097000      0.6006000      0.1133000E-02  0.8559000
  1 1 1     -15  -10   18 o    8.523000      0.2745000       8.025000 0.3938000       9.021000      0.3825000     -0.9958000      0.5489000
  1 1 1     -15  -10   19 o    4.791000      0.4019000       4.927000 0.5457000       4.655000      0.5903000      0.2721000      0.8038000
  1 1 1     -15  -10   20 o    4.471000      0.4444000       4.548000 0.6239000       4.394000      0.6331000      0.1543000      0.8888000
  1 1 1     -15  -10   21 o    9.700000      0.2771000       9.858000 0.3875000       9.543000      0.3962000      0.3153000      0.5542000
  1 1 1     -15  -10   22 o    8.592000      0.2919000       8.397000 0.4138000       8.787000      0.4118000     -0.3901000      0.5837000
  1 1 1     -15  -10   23 f    9.099000      0.2908000       8.846000 0.4188000       9.352000      0.4036000     -0.5063000      0.5817000
  1 1 1     -15  -10   24 o    2.908000      0.6157000       2.811000 0.8877000       3.004000      0.8535000     -0.1929000       1.231000
  1 1 1     -15  -10   25 o    3.775000      0.5779000       4.049000 0.7928000       3.501000      0.8412000      0.5476000       1.156000
  1 1 1     -15  -10   26 o    5.983000      0.3728000       4.901000 0.5557000       7.064000      0.4972000      -2.163000      0.7457000
  1 1 1     -15  -10   27 o    5.683000      0.4339000       5.442000 0.6318000       5.925000      0.5950000     -0.4825000      0.8678000
  1 1 1     -15  -10   28 o    9.577000      0.4499000       9.416000 0.6806000       9.738000      0.5886000     -0.3220000      0.8998000
  1 1 1     -15  -10   29 o    3.222000      0.6716000       3.007000 0.9786000       3.437000      0.9202000     -0.4296000       1.343000
  1 1 1     -15  -10   30 o    2.422000      0.6507000       2.237000 0.8923000       2.607000      0.9474000     -0.3702000       1.301000
  1 1 1     -15  -10   31 o    6.880000      0.6099000       6.951000 0.7598000       6.810000      0.9542000      0.1409000       1.220000
  1 1 1     -15  -10   32 o    3.167000      0.6777000       3.367000 0.9645000       2.967000      0.9524000      0.4002000       1.355000
  1 1 1     -15  -10   33 o    4.361000      0.5872000       4.793000 0.7715000       3.929000      0.8855000      0.8636000       1.174000
  1 1 1     -15  -10   34 f    5.146000      0.4630000       5.015000 0.6824000       5.276000      0.6261000     -0.2609000      0.9261000
  1 1 1     -15   -9    1 o    9.720000      0.1957000       9.817000 0.2769000       9.624000      0.2766000      0.1938000      0.3914000
  1 1 1     -15   -9    2 o    4.281000      0.2585000       4.048000 0.3832000       4.514000      0.3470000     -0.4665000      0.5170000
  1 1 1     -15   -9    3 o    9.708000      0.2012000       9.932000 0.2875000       9.485000      0.2816000      0.4462000      0.4024000
  1 1 1     -15   -9    4 o    5.591000      0.2258000       5.717000 0.3050000       5.465000      0.3329000      0.2515000      0.4515000
  1 1 1     -15   -9    5 o    6.768000      0.2598000       6.611000 0.3018000       6.926000      0.4229000     -0.3154000      0.5196000
  1 1 1     -15   -9    6 o    7.765000      0.2124000       7.582000 0.3044000       7.949000      0.2962000     -0.3664000      0.4248000
  1 1 1     -15   -9    7 o    2.647000      0.4349000       2.873000 0.5795000       2.422000      0.6487000      0.4511000      0.8698000
  1 1 1     -15   -9    8 o    9.234000      0.2166000       9.565000 0.3049000       8.904000      0.3077000      0.6604000      0.4332000
  1 1 1     -15   -9    9 o    6.292000      0.2422000       6.289000 0.3460000       6.296000      0.3389000     -0.7903000E-02  0.4844000
  1 1 1     -15   -9   10 o    10.56000      0.2228000       10.55000 0.3142000       10.56000      0.3160000     -0.8884000E-02  0.4456000
  1 1 1     -15   -9   11 o    6.090000      0.3804000       6.047000 0.5664000       6.133000      0.5079000     -0.8561000E-01  0.7607000
  1 1 1     -15   -9   12 f    7.749000      0.2380000       7.683000 0.3397000       7.816000      0.3333000     -0.1325000      0.4760000
  1 1 1     -15   -9   13 o    12.17000      0.2415000       12.06000 0.3441000       12.29000      0.3390000     -0.2368000      0.4831000
  1 1 1     -15   -9   14 o    5.651000      0.4255000       5.845000 0.5491000       5.457000      0.6501000      0.3877000      0.8510000
  1 1 1     -15   -9   15 o    6.208000      0.3993000       5.986000 0.5575000       6.430000      0.5718000     -0.4441000      0.7985000
  1 1 1     -15   -9   16 o    6.484000      0.2989000       6.423000 0.4269000       6.546000      0.4184000     -0.1226000      0.5977000
  1 1 1     -15   -9   17 o    6.471000      0.2968000       6.647000 0.4123000       6.295000      0.4271000      0.3518000      0.5936000
  1 1 1     -15   -9   18 o    1.980000      0.5480000       2.109000 0.7850000       1.852000      0.7648000      0.2570000       1.096000
  1 1 1     -15   -9   19 o    6.511000      0.3229000       6.598000 0.4400000       6.425000      0.4726000      0.1731000      0.6457000
  1 1 1     -15   -9   20 o    12.02000      0.2653000       11.95000 0.3775000       12.10000      0.3727000     -0.1554000      0.5305000
  1 1 1     -15   -9   21 o    9.223000      0.2824000       10.12000 0.3874000       8.321000      0.4109000       1.803000      0.5647000
  1 1 1     -15   -9   22 o    16.95000      0.2946000       16.95000 0.4175000       16.95000      0.4157000     -0.3902000E-02  0.5892000
  1 1 1     -15   -9   23 o    8.934000      0.2875000       8.905000 0.4055000       8.963000      0.4077000     -0.5811000E-01  0.5750000
  1 1 1     -15   -9   24 o    10.22000      0.2851000       10.23000 0.4087000       10.21000      0.3978000      0.2490000E-01  0.5703000
  1 1 1     -15   -9   25 o    11.24000      0.2871000       11.40000 0.4099000       11.08000      0.4020000      0.3169000      0.5741000
  1 1 1     -15   -9   26 o    2.752000      0.6409000       2.193000 0.9004000       3.312000      0.9125000      -1.119000       1.282000
  1 1 1     -15   -9   27 o    2.335000      0.6316000       2.710000 0.9409000       1.959000      0.8428000      0.7510000       1.263000
  1 1 1     -15   -9   28 o    2.304000      0.7127000       2.455000 1.062000       2.153000      0.9514000      0.3020000       1.425000
  1 1 1     -15   -9   29 o    4.665000      0.5784000       3.522000 0.9656000       5.808000      0.6371000      -2.286000       1.157000
  1 1 1     -15   -9   30 o    6.618000      0.4524000       5.258000 0.7337000       7.979000      0.5297000      -2.721000      0.9049000
  1 1 1     -15   -9   31 o    9.695000      0.4627000       9.675000 0.6045000       9.714000      0.7006000     -0.3892000E-01  0.9254000
  1 1 1     -15   -9   32 o    5.279000      0.4869000       5.157000 0.7074000       5.401000      0.6692000     -0.2439000      0.9738000
  1 1 1     -15   -9   33 o    6.812000      0.3943000       6.588000 0.5820000       7.036000      0.5320000     -0.4484000      0.7885000
  1 1 1     -15   -9   34 o    3.371000      0.6456000       3.578000 0.9045000       3.164000      0.9215000      0.4141000       1.291000
  1 1 1     -15   -8    1 o    11.43000      0.2027000       11.36000 0.2856000       11.50000      0.2877000     -0.1425000      0.4054000
  1 1 1     -15   -8    2 o    3.388000      0.3087000       3.251000 0.4498000       3.525000      0.4230000     -0.2740000      0.6175000
  1 1 1     -15   -8    3 o    5.578000      0.2242000       5.109000 0.3324000       6.047000      0.3010000     -0.9378000      0.4484000
  1 1 1     -15   -8    4 o    13.63000      0.2256000       13.69000 0.3188000       13.58000      0.3194000      0.1041000      0.4512000
  1 1 1     -15   -8    5 o    13.17000      0.2241000       13.06000 0.3133000       13.28000      0.3206000     -0.2185000      0.4483000
  1 1 1     -15   -8    6 o    19.83000      0.2937000       19.84000 0.4163000       19.82000      0.4144000      0.2439000E-01  0.5874000
  1 1 1     -15   -8    7 o    16.22000      0.2551000       16.38000 0.3627000       16.06000      0.3589000      0.3244000      0.5103000
  1 1 1     -15   -8    8 o    12.40000      0.2252000       12.58000 0.3205000       12.22000      0.3165000      0.3633000      0.4504000
  1 1 1     -15   -8    9 o    6.243000      0.2388000       6.218000 0.3350000       6.269000      0.3405000     -0.5038000E-01  0.4776000
  1 1 1     -15   -8   10 o    10.82000      0.2229000       10.83000 0.3164000       10.81000      0.3139000      0.1027000E-01  0.4457000
  1 1 1     -15   -8   11 o    8.924000      0.3234000       9.071000 0.4671000       8.776000      0.4475000      0.2948000      0.6469000
  1 1 1     -15   -8   13 o    5.511000      0.2958000       5.496000 0.4167000       5.526000      0.4200000     -0.3015000E-01  0.5916000
  1 1 1     -15   -8   14 o    12.02000      0.3374000       11.82000 0.4674000       12.22000      0.4866000     -0.3985000      0.6747000
  1 1 1     -15   -8   15 o    3.787000      0.5808000       4.427000 0.6894000       3.147000      0.9348000       1.281000       1.162000
  1 1 1     -15   -8   16 o    4.354000      0.3904000       4.616000 0.5244000       4.091000      0.5786000      0.5255000      0.7809000
  1 1 1     -15   -8   17 o    8.558000      0.2599000       8.398000 0.3715000       8.718000      0.3634000     -0.3208000      0.5197000
  1 1 1     -15   -8   18 o    5.434000      0.3374000       5.527000 0.4710000       5.341000      0.4833000      0.1864000      0.6749000
  1 1 1     -15   -8   19 o    10.69000      0.2652000       10.63000 0.3770000       10.74000      0.3730000     -0.1038000      0.5304000
  1 1 1     -15   -8   20 o    12.53000      0.2650000       12.55000 0.3793000       12.51000      0.3702000      0.3934000E-01  0.5300000
  1 1 1     -15   -8   21 o    3.795000      0.5086000       3.724000 0.7475000       3.865000      0.6899000     -0.1413000       1.017000
  1 1 1     -15   -8   22 o    6.517000      0.3262000       6.402000 0.4693000       6.631000      0.4530000     -0.2282000      0.6523000
  1 1 1     -15   -8   23 o    10.16000      0.2745000       10.08000 0.3897000       10.23000      0.3867000     -0.1484000      0.5490000
  1 1 1     -15   -8   24 o    9.347000      0.2882000       8.882000 0.4131000       9.812000      0.4019000     -0.9304000      0.5763000
  1 1 1     -15   -8   25 o    4.095000      0.5194000       4.084000 0.7409000       4.106000      0.7281000     -0.2186000E-01   1.039000
  1 1 1     -15   -8   26 o    8.044000      0.3345000       7.467000 0.4974000       8.621000      0.4473000      -1.154000      0.6689000
  1 1 1     -15   -8   27 o    6.469000      0.3945000       5.635000 0.6215000       7.304000      0.4860000      -1.669000      0.7890000
  1 1 1     -15   -8   28 o    4.351000      0.7432000       5.280000 1.039000       3.422000       1.063000       1.859000       1.486000
  1 1 1     -15   -8   29 o    6.349000      0.4131000       6.530000 0.5739000       6.168000      0.5942000      0.3620000      0.8261000
  1 1 1     -15   -8   30 o    9.234000      0.3363000       9.341000 0.4726000       9.128000      0.4787000      0.2127000      0.6727000
  1 1 1     -15   -8   31 o    4.839000      0.7617000       4.974000 0.9531000       4.703000       1.188000      0.2713000       1.523000
  1 1 1     -15   -8   32 o    4.697000      0.5370000       4.074000 0.8375000       5.320000      0.6724000      -1.246000       1.074000
  1 1 1     -15   -8   33 o    7.500000      0.3604000       7.485000 0.5134000       7.515000      0.5059000     -0.3020000E-01  0.7208000
  1 1 1     -15   -8   34 o    2.634000      0.6627000       2.686000 0.9570000       2.583000      0.9168000      0.1030000       1.325000
  1 1 1     -15   -7    1 o    11.00000      0.1992000       10.95000 0.2794000       11.05000      0.2840000     -0.1022000      0.3984000
  1 1 1     -15   -7    2 o    1.794000      0.4245000       2.042000 0.5976000       1.545000      0.6029000      0.4979000      0.8489000
  1 1 1     -15   -7    3 f    6.281000      0.2087000       6.476000 0.2963000       6.085000      0.2941000      0.3914000      0.4175000
  1 1 1     -15   -7    4 o    15.13000      0.2396000       14.93000 0.3363000       15.33000      0.3414000     -0.3997000      0.4792000
  1 1 1     -15   -7    5 o    6.671000      0.2124000       6.809000 0.2962000       6.534000      0.3044000      0.2750000      0.4247000
  1 1 1     -15   -7    6 o    17.14000      0.2637000       17.50000 0.3782000       16.79000      0.3675000      0.7114000      0.5274000
  1 1 1     -15   -7    7 o    9.851000      0.2103000       9.759000 0.2997000       9.942000      0.2953000     -0.1833000      0.4207000
  1 1 1     -15   -7    8 o    11.84000      0.2219000       11.81000 0.3156000       11.88000      0.3121000     -0.7728000E-01  0.4438000
  1 1 1     -15   -7    9 o    3.903000      0.3335000       3.992000 0.4575000       3.815000      0.4853000      0.1767000      0.6669000
  1 1 1     -15   -7   10 o    13.49000      0.2383000       13.58000 0.3379000       13.40000      0.3361000      0.1826000      0.4766000
  1 1 1     -15   -7   11 o    6.035000      0.3603000       6.113000 0.5228000       5.958000      0.4959000      0.1551000      0.7205000
  1 1 1     -15   -7   12 o    13.23000      0.3412000       13.34000 0.4931000       13.13000      0.4716000      0.2108000      0.6823000
  1 1 1     -15   -7   13 o    4.989000      0.3197000       5.150000 0.4506000       4.827000      0.4536000      0.3232000      0.6394000
  1 1 1     -15   -7   14 f    9.333000      0.3333000       9.363000 0.4671000       9.302000      0.4754000      0.6096000E-01  0.6665000
  1 1 1     -15   -7   15 o    10.39000      0.3380000       11.06000 0.4684000       9.708000      0.4875000       1.355000      0.6760000
  1 1 1     -15   -7   16 o    9.769000      0.2455000       9.805000 0.3479000       9.733000      0.3464000      0.7171000E-01  0.4909000
  1 1 1     -15   -7   17 o    11.16000      0.2471000       11.36000 0.3519000       10.96000      0.3469000      0.3940000      0.4941000
  1 1 1     -15   -7   18 o    3.504000      0.4825000       2.911000 0.7748000       4.097000      0.5751000      -1.186000      0.9649000
  1 1 1     -15   -7   19 o    7.368000      0.2863000       7.346000 0.4079000       7.390000      0.4020000     -0.4453000E-01  0.5727000
  1 1 1     -15   -7   20 o    4.696000      0.3970000       4.618000 0.5795000       4.774000      0.5426000     -0.1558000      0.7939000
  1 1 1     -15   -7   21 o    7.377000      0.2941000       7.464000 0.4215000       7.290000      0.4102000      0.1748000      0.5881000
  1 1 1     -15   -7   22 o    10.76000      0.2674000       11.48000 0.3787000       10.04000      0.3776000       1.443000      0.5348000
  1 1 1     -15   -7   23 o    17.87000      0.3028000       17.75000 0.4270000       18.00000      0.4295000     -0.2456000      0.6057000
  1 1 1     -15   -7   24 o    3.630000      0.5608000       3.413000 0.8292000       3.847000      0.7554000     -0.4334000       1.122000
  1 1 1     -15   -7   25 o    3.421000      0.8570000       3.421000 0.8570000                  ?              ?              ?              ?
  1 1 1     -15   -7   26 o    5.590000      0.4265000       5.800000 0.5934000       5.381000      0.6127000      0.4190000      0.8529000
  1 1 1     -15   -7   27 o    6.015000      0.5761000                  ?       ?   6.015000      0.5761000                  ?              ?
  1 1 1     -15   -7   28 o    2.748000      0.7652000       2.681000 1.092000       2.816000       1.072000     -0.1350000       1.530000
  1 1 1     -15   -7   29 o    2.620000      0.6711000       2.617000 0.9506000       2.622000      0.9475000     -0.4995000E-02   1.342000
  1 1 1     -15   -7   30 o    5.499000      0.4366000       5.633000 0.6029000       5.365000      0.6318000      0.2682000      0.8733000
  1 1 1     -15   -7   31 o    3.954000      0.8003000       4.394000 1.053000       3.514000       1.206000      0.8800000       1.601000
  1 1 1     -15   -7   32 o    2.997000      0.6385000       2.259000 0.9204000       3.735000      0.8853000      -1.476000       1.277000
  1 1 1     -15   -7   33 o    3.219000      0.6666000       1.959000 0.8596000       4.479000       1.019000      -2.521000       1.333000
  1 1 1     -15   -7   34 o    3.079000      0.5970000       2.067000 0.8736000       4.091000      0.8140000      -2.025000       1.194000
  1 1 1     -15   -6    1 o    10.64000      0.1956000       10.44000 0.2760000       10.85000      0.2774000     -0.4146000      0.3913000
  1 1 1     -15   -6    2 o    7.028000      0.1951000       6.896000 0.2776000       7.160000      0.2742000     -0.2644000      0.3902000
  1 1 1     -15   -6    3 o    9.037000      0.1961000       9.181000 0.2790000       8.893000      0.2756000      0.2878000      0.3922000
  1 1 1     -15   -6    4 o    3.620000      0.2948000       3.725000 0.4080000       3.515000      0.4255000      0.2099000      0.5895000
  1 1 1     -15   -6    5 o    6.731000      0.2089000       6.978000 0.2922000       6.484000      0.2987000      0.4943000      0.4179000
  1 1 1     -15   -6    6 o    10.02000      0.2050000       9.750000 0.2888000       10.30000      0.2910000     -0.5491000      0.4099000
  1 1 1     -15   -6    7 o    1.760000      0.4554000       1.643000 0.6370000       1.876000      0.6510000     -0.2336000      0.9108000
  1 1 1     -15   -6    8 o    13.33000      0.2308000       13.61000 0.3312000       13.04000      0.3217000      0.5668000      0.4617000
  1 1 1     -15   -6    9 o    8.451000      0.2186000       8.319000 0.3096000       8.582000      0.3088000     -0.2637000      0.4373000
  1 1 1     -15   -6   10 o    5.526000      0.2542000       5.576000 0.3573000       5.476000      0.3616000      0.1007000      0.5083000
  1 1 1     -15   -6   11 o    7.154000      0.3276000       7.154000 0.4760000       7.155000      0.4502000     -0.9747000E-03  0.6552000
  1 1 1     -15   -6   12 o    10.37000      0.3237000       11.04000 0.4683000       9.698000      0.4472000       1.347000      0.6475000
  1 1 1     -15   -6   13 o    7.944000      0.2413000       8.179000 0.3476000       7.709000      0.3348000      0.4700000      0.4826000
  1 1 1     -15   -6   14 o    9.893000      0.3250000       10.27000 0.4517000       9.514000      0.4674000      0.7568000      0.6500000
  1 1 1     -15   -6   15 o    12.69000      0.3459000       11.93000 0.4759000       13.46000      0.5020000      -1.531000      0.6917000
  1 1 1     -15   -6   16 o    7.806000      0.2630000       7.717000 0.3770000       7.896000      0.3667000     -0.1796000      0.5260000
  1 1 1     -15   -6   17 o    13.81000      0.2592000       13.36000 0.3638000       14.26000      0.3692000     -0.8978000      0.5184000
  1 1 1     -15   -6   18 o    3.629000      0.4914000       4.262000 0.5919000       2.995000      0.7846000       1.266000      0.9828000
  1 1 1     -15   -6   19 o    8.565000      0.2797000       8.434000 0.3991000       8.696000      0.3920000     -0.2617000      0.5594000
  1 1 1     -15   -6   20 o    12.44000      0.2645000       12.18000 0.3766000       12.71000      0.3716000     -0.5312000      0.5291000
  1 1 1     -15   -6   21 o    7.989000      0.2886000       7.860000 0.4157000       8.119000      0.4003000     -0.2587000      0.5771000
  1 1 1     -15   -6   22 o    21.81000      0.3375000       21.49000 0.4729000       22.13000      0.4817000     -0.6355000      0.6750000
  1 1 1     -15   -6   23 o    7.574000      0.3049000       7.752000 0.4170000       7.396000      0.4448000      0.3551000      0.6097000
  1 1 1     -15   -6   24 o    13.45000      0.2781000       13.53000 0.3961000       13.37000      0.3904000      0.1604000      0.5561000
  1 1 1     -15   -6   25 o    3.208000      0.8644000       3.208000 0.8644000                  ?              ?              ?              ?
  1 1 1     -15   -6   26 o    6.343000      0.3796000       6.384000 0.5484000       6.303000      0.5249000      0.8148000E-01  0.7591000
  1 1 1     -15   -6   27 o    2.282000      0.8819000                  ?       ?   2.282000      0.8819000                  ?              ?
  1 1 1     -15   -6   28 o    5.023000      0.6607000       4.386000 1.073000       5.659000      0.7714000      -1.273000       1.321000
  1 1 1     -15   -6   29 o    4.515000      0.5537000       4.994000 0.7210000       4.035000      0.8404000      0.9590000       1.107000
  1 1 1     -15   -6   30 o    3.911000      0.8165000       4.337000 1.081000       3.486000       1.224000      0.8511000       1.633000
  1 1 1     -15   -6   31 o    3.243000      0.8065000       3.550000 1.136000       2.937000       1.145000      0.6125000       1.613000
  1 1 1     -15   -6   32 o    2.681000      0.6684000       2.562000 0.9545000       2.800000      0.9358000     -0.2380000       1.337000
  1 1 1     -15   -6   33 o    2.787000      0.6605000       2.852000 0.9403000       2.721000      0.9279000      0.1314000       1.321000
  1 1 1     -15   -6   34 o    2.334000      0.6315000       1.975000 0.8561000       2.693000      0.9287000     -0.7181000       1.263000
  1 1 1     -15   -5    1 o    7.018000      0.1891000       7.068000 0.2667000       6.968000      0.2681000      0.9969000E-01  0.3782000
  1 1 1     -15   -5    2 o    7.259000      0.1924000       7.289000 0.2707000       7.230000      0.2733000      0.5903000E-01  0.3847000
  1 1 1     -15   -5    3 o    3.949000      0.2700000       4.013000 0.3814000       3.885000      0.3823000      0.1285000      0.5400000
  1 1 1     -15   -5    4 o    19.84000      0.2901000       20.04000 0.4134000       19.63000      0.4071000      0.4040000      0.5802000
  1 1 1     -15   -5    5 o    11.45000      0.2089000       11.43000 0.2944000       11.48000      0.2965000     -0.5085000E-01  0.4178000
  1 1 1     -15   -5    6 o    16.58000      0.2569000       16.47000 0.3619000       16.68000      0.3647000     -0.2169000      0.5138000
  1 1 1     -15   -5    7 o    7.770000      0.2097000       7.795000 0.2928000       7.746000      0.3002000      0.4939000E-01  0.4194000
  1 1 1     -15   -5    8 o    10.58000      0.2137000       10.65000 0.3028000       10.50000      0.3015000      0.1537000      0.4274000
  1 1 1     -15   -5    9 o    9.839000      0.2180000       9.797000 0.3073000       9.880000      0.3094000     -0.8299000E-01  0.4361000
  1 1 1     -15   -5   10 o    5.291000      0.2637000       5.716000 0.3472000       4.867000      0.3970000      0.8497000      0.5274000
  1 1 1     -15   -5   11 o    11.65000      0.3229000       11.82000 0.4648000       11.47000      0.4482000      0.3557000      0.6457000
  1 1 1     -15   -5   12 o    10.66000      0.3240000       10.61000 0.4679000       10.72000      0.4483000     -0.1087000      0.6480000
  1 1 1     -15   -5   13 o    4.461000      0.3327000       4.661000 0.4653000       4.261000      0.4755000      0.4003000      0.6653000
  1 1 1     -15   -5   14 o    4.859000      0.4458000       4.682000 0.6418000       5.037000      0.6188000     -0.3548000      0.8915000
  1 1 1     -15   -5   15 o    13.44000      0.3500000       13.54000 0.4907000       13.33000      0.4993000      0.2124000      0.7000000
  1 1 1     -15   -5   16 o    3.166000      0.4841000       3.018000 0.7328000       3.315000      0.6329000     -0.2974000      0.9683000
  1 1 1     -15   -5   17 o    3.379000      0.4787000       2.877000 0.7483000       3.880000      0.5970000      -1.003000      0.9573000
  1 1 1     -15   -5   18 o    1.642000      0.5013000       1.958000 0.7810000       1.325000      0.6286000      0.6333000       1.003000
  1 1 1     -15   -5   19 o    5.894000      0.3164000       5.790000 0.4514000       5.999000      0.4434000     -0.2091000      0.6327000
  1 1 1     -15   -5   20 o    3.972000      0.4789000       3.586000 0.7359000       4.359000      0.6130000     -0.7730000      0.9578000
  1 1 1     -15   -5   21 o    8.562000      0.2768000       8.670000 0.3957000       8.454000      0.3870000      0.2168000      0.5535000
  1 1 1     -15   -5   22 o    11.24000      0.2673000       11.00000 0.3812000       11.47000      0.3748000     -0.4714000      0.5346000
  1 1 1     -15   -5   23 o    8.661000      0.2801000       8.534000 0.3979000       8.787000      0.3943000     -0.2527000      0.5602000
  1 1 1     -15   -5   24 o    20.86000      0.3318000       21.40000 0.4769000       20.32000      0.4616000       1.082000      0.6637000
  1 1 1     -15   -5   25 o    3.780000      0.5553000       3.084000 0.8740000       4.475000      0.6853000      -1.391000       1.111000
  1 1 1     -15   -5   26 o    3.876000      0.5464000       4.431000 0.7046000       3.320000      0.8353000       1.111000       1.093000
  1 1 1     -15   -5   27 o    3.483000      0.7732000       3.390000 1.156000       3.576000       1.027000     -0.1861000       1.546000
  1 1 1     -15   -5   28 o    9.657000      0.4269000       9.363000 0.6333000       9.951000      0.5727000     -0.5878000      0.8539000
  1 1 1     -15   -5   29 o    3.242000      0.6430000       2.747000 0.9700000       3.737000      0.8442000     -0.9906000       1.286000
  1 1 1     -15   -5   30 o    4.265000      0.8044000       4.015000 1.132000       4.515000       1.143000     -0.5004000       1.609000
  1 1 1     -15   -5   31 f    4.575000      0.6572000       3.627000 0.8619000       5.523000      0.9925000      -1.896000       1.314000
  1 1 1     -15   -5   32 o    3.991000      0.5969000       4.558000 0.7787000       3.424000      0.9047000       1.133000       1.194000
  1 1 1     -15   -5   33 o    3.404000      0.6507000       3.618000 0.9179000       3.191000      0.9226000      0.4272000       1.301000
  1 1 1     -15   -5   34 o    2.291000      0.6339000       1.981000 0.8669000       2.602000      0.9250000     -0.6211000       1.268000
  1 1 1     -15   -4    1 o    10.72000      0.1945000       10.62000 0.2747000       10.81000      0.2755000     -0.1904000      0.3890000
  1 1 1     -15   -4    2 o    11.60000      0.2039000       11.46000 0.2860000       11.74000      0.2908000     -0.2806000      0.4079000
  1 1 1     -15   -4    3 o    15.81000      0.2443000       15.82000 0.3463000       15.79000      0.3449000      0.3838000E-01  0.4887000
  1 1 1     -15   -4    4 o    5.769000      0.2187000       5.624000 0.3164000       5.913000      0.3019000     -0.2893000      0.4373000
  1 1 1     -15   -4    5 o    10.33000      0.2015000       10.50000 0.2865000       10.15000      0.2834000      0.3494000      0.4030000
  1 1 1     -15   -4    6 o    15.73000      0.2484000       15.61000 0.3495000       15.86000      0.3532000     -0.2471000      0.4968000
  1 1 1     -15   -4    7 o    11.51000      0.2148000       11.29000 0.3036000       11.72000      0.3038000     -0.4299000      0.4295000
  1 1 1     -15   -4    8 o    16.95000      0.2640000       16.85000 0.3714000       17.05000      0.3752000     -0.2069000      0.5279000
  1 1 1     -15   -4    9 o    4.811000      0.2756000       5.195000 0.3683000       4.426000      0.4101000      0.7686000      0.5512000
  1 1 1     -15   -4   10 o    1.631000      0.4547000       1.382000 0.6078000       1.881000      0.6766000     -0.4986000      0.9095000
  1 1 1     -15   -4   11 o    7.568000      0.3229000       7.698000 0.4654000       7.439000      0.4477000      0.2586000      0.6458000
  1 1 1     -15   -4   12 o    19.67000      0.2997000       19.61000 0.4228000       19.73000      0.4249000     -0.1149000      0.5994000
  1 1 1     -15   -4   13 o    9.539000      0.2324000       9.392000 0.3318000       9.687000      0.3255000     -0.2947000      0.4649000
  1 1 1     -15   -4   14 o    1.960000      0.5788000       2.082000 0.8414000       1.838000      0.7950000      0.2442000       1.158000
  1 1 1     -15   -4   15 o    2.090000      0.5314000       2.232000 0.7636000       1.949000      0.7393000      0.2830000       1.063000
  1 1 1     -15   -4   16 o    9.422000      0.2460000       9.058000 0.3472000       9.786000      0.3486000     -0.7287000      0.4920000
  1 1 1     -15   -4   17 o    8.138000      0.2641000       8.321000 0.3664000       7.955000      0.3804000      0.3665000      0.5282000
  1 1 1     -15   -4   18 o    8.091000      0.2712000       7.927000 0.3910000       8.255000      0.3759000     -0.3284000      0.5424000
  1 1 1     -15   -4   19 o    4.900000      0.3688000       5.683000 0.4489000       4.117000      0.5852000       1.566000      0.7376000
  1 1 1     -15   -4   20 o    14.14000      0.2649000       13.96000 0.3741000       14.33000      0.3751000     -0.3781000      0.5297000
  1 1 1     -15   -4   21 o    14.43000      0.2693000       14.57000 0.3848000       14.30000      0.3769000      0.2690000      0.5387000
  1 1 1     -15   -4   22 o    12.55000      0.2663000       12.51000 0.3758000       12.58000      0.3774000     -0.6731000E-01  0.5326000
  1 1 1     -15   -4   23 o    11.83000      0.2675000       12.06000 0.3765000       11.60000      0.3801000      0.4649000      0.5350000
  1 1 1     -15   -4   24 o    14.51000      0.2805000       14.45000 0.3952000       14.57000      0.3982000     -0.1253000      0.5610000
  1 1 1     -15   -4   25 o    9.536000      0.2872000       9.318000 0.4148000       9.755000      0.3972000     -0.4377000      0.5744000
  1 1 1     -15   -4   26 o    3.731000      0.5746000       3.581000 0.8597000       3.881000      0.7627000     -0.3010000       1.149000
  1 1 1     -15   -4   27 o    5.343000      0.5688000       5.180000 0.8742000       5.506000      0.7279000     -0.3268000       1.138000
  1 1 1     -15   -4   28 o    8.330000      0.3303000       8.230000 0.4686000       8.429000      0.4658000     -0.1994000      0.6607000
  1 1 1     -15   -4   29 o    2.256000      0.6396000       2.335000 0.9207000       2.177000      0.8881000      0.1570000       1.279000
  1 1 1     -15   -4   30 o    3.284000      0.8023000       3.236000 1.098000       3.332000       1.170000     -0.9634000E-01   1.605000
  1 1 1     -15   -4   31 o    3.497000      0.6397000       3.790000 0.8782000       3.205000      0.9305000      0.5853000       1.279000
  1 1 1     -15   -4   32 o    3.860000      0.5894000       3.906000 0.8399000       3.814000      0.8273000      0.9125000E-01   1.179000
  1 1 1     -15   -4   33 o    4.410000      0.5424000       4.641000 0.7650000       4.179000      0.7692000      0.4618000       1.085000
  1 1 1     -15   -4   34 o    2.506000      0.6561000       2.364000 0.9169000       2.649000      0.9387000     -0.2846000       1.312000
  1 1 1     -15   -3    1 o    18.19000      0.2674000       17.93000 0.3742000       18.45000      0.3822000     -0.5151000      0.5349000
  1 1 1     -15   -3    2 o    21.78000      0.3118000       21.77000 0.4411000       21.79000      0.4408000     -0.2085000E-01  0.6236000
  1 1 1     -15   -3    3 o    10.91000      0.2005000       10.92000 0.2844000       10.90000      0.2828000      0.1864000E-01  0.4011000
  1 1 1     -15   -3    4 o    4.370000      0.2497000       4.635000 0.3438000       4.105000      0.3622000      0.5301000      0.4994000
  1 1 1     -15   -3    5 o    9.848000      0.2012000       10.08000 0.2894000       9.619000      0.2797000      0.4574000      0.4025000
  1 1 1     -15   -3    6 o    12.89000      0.2221000       13.01000 0.3163000       12.77000      0.3119000      0.2388000      0.4442000
  1 1 1     -15   -3    7 o    9.489000      0.2065000       9.560000 0.2935000       9.418000      0.2906000      0.1417000      0.4130000
  1 1 1     -15   -3    8 o    6.169000      0.2369000       6.375000 0.3272000       5.962000      0.3428000      0.4133000      0.4739000
  1 1 1     -15   -3    9 o    5.374000      0.2559000       5.223000 0.3657000       5.525000      0.3580000     -0.3019000      0.5118000
  1 1 1     -15   -3   10 o    1.648000      0.4525000       1.859000 0.6605000       1.437000      0.6187000      0.4216000      0.9050000
  1 1 1     -15   -3   11 o    1.998000      0.5569000       2.185000 0.8240000       1.812000      0.7495000      0.3730000       1.114000
  1 1 1     -15   -3   12 o    13.58000      0.2441000       13.47000 0.3443000       13.69000      0.3462000     -0.2228000      0.4883000
  1 1 1     -15   -3   13 o    5.868000      0.2739000       6.191000 0.3806000       5.544000      0.3941000      0.6466000      0.5479000
  1 1 1     -15   -3   14 o    8.924000      0.3367000       8.913000 0.4686000       8.935000      0.4837000     -0.2161000E-01  0.6735000
  1 1 1     -15   -3   15 o    6.462000      0.2675000       6.513000 0.3868000       6.411000      0.3697000      0.1016000      0.5350000
  1 1 1     -15   -3   16 o    6.212000      0.2888000       6.316000 0.4133000       6.109000      0.4034000      0.2070000      0.5776000
  1 1 1     -15   -3   17 o    8.922000      0.2459000       8.927000 0.3492000       8.916000      0.3464000      0.1058000E-01  0.4919000
  1 1 1     -15   -3   18 o    3.107000      0.4982000       2.469000 0.7908000       3.744000      0.6062000      -1.275000      0.9964000
  1 1 1     -15   -3   19 o    11.63000      0.2546000       11.55000 0.3603000       11.70000      0.3597000     -0.1548000      0.5091000
  1 1 1     -15   -3   20 o    18.22000      0.2978000       18.14000 0.4212000       18.29000      0.4210000     -0.1557000      0.5956000
  1 1 1     -15   -3   21 o    12.27000      0.2630000       12.32000 0.3751000       12.22000      0.3687000      0.1072000      0.5260000
  1 1 1     -15   -3   22 o    9.896000      0.2646000       9.910000 0.3750000       9.882000      0.3735000      0.2761000E-01  0.5293000
  1 1 1     -15   -3   23 o    7.635000      0.2945000       7.573000 0.4248000       7.696000      0.4080000     -0.1231000      0.5890000
  1 1 1     -15   -3   24 o    6.740000      0.3265000       6.069000 0.4866000       7.411000      0.4354000      -1.342000      0.6529000
  1 1 1     -15   -3   25 o    16.11000      0.2945000       16.31000 0.4171000       15.92000      0.4158000      0.3894000      0.5890000
  1 1 1     -15   -3   26 o    10.40000      0.3233000       10.65000 0.4096000       10.16000      0.5002000      0.4940000      0.6465000
  1 1 1     -15   -3   27 o    3.047000      0.6952000       2.198000 0.9510000       3.896000       1.014000      -1.698000       1.390000
  1 1 1     -15   -3   28 o    3.066000      0.6258000       3.427000 0.8586000       2.705000      0.9106000      0.7218000       1.252000
  1 1 1     -15   -3   29 o    3.224000      0.6282000       4.177000 0.8658000       2.271000      0.9104000       1.906000       1.256000
  1 1 1     -15   -3   30 o    2.913000      0.7730000       3.011000 1.081000       2.814000       1.106000      0.1971000       1.546000
  1 1 1     -15   -3   31 o    2.418000      0.6224000       3.046000 0.9489000       1.790000      0.8056000       1.256000       1.245000
  1 1 1     -15   -3   32 o    3.585000      0.6221000       3.987000 0.8337000       3.183000      0.9236000      0.8042000       1.244000
  1 1 1     -15   -3   33 o    5.456000      0.4484000       6.024000 0.6037000       4.888000      0.6631000       1.137000      0.8967000
  1 1 1     -15   -3   34 o    2.963000      0.6366000       3.302000 0.9052000       2.623000      0.8953000      0.6790000       1.273000
  1 1 1     -15   -2    1 o    14.16000      0.2245000       14.37000 0.3217000       13.96000      0.3133000      0.4070000      0.4491000
  1 1 1     -15   -2    2 o    7.255000      0.1899000       7.546000 0.2676000       6.963000      0.2695000      0.5832000      0.3798000
  1 1 1     -15   -2    3 o    15.60000      0.2421000       15.65000 0.3433000       15.55000      0.3413000      0.1005000      0.4841000
  1 1 1     -15   -2    4 o    6.679000      0.2029000       6.440000 0.2951000       6.917000      0.2784000     -0.4776000      0.4057000
  1 1 1     -15   -2    5 o    7.938000      0.1971000       7.584000 0.2816000       8.292000      0.2759000     -0.7083000      0.3942000
  1 1 1     -15   -2    6 f    13.19000      0.2240000       13.06000 0.3155000       13.32000      0.3180000     -0.2599000      0.4480000
  1 1 1     -15   -2    7 o    18.81000      0.2830000       19.09000 0.4042000       18.53000      0.3962000      0.5570000      0.5660000
  1 1 1     -15   -2    8 o    9.972000      0.2123000       9.661000 0.2958000       10.28000      0.3046000     -0.6218000      0.4246000
  1 1 1     -15   -2    9 o    8.784000      0.2148000       8.364000 0.3045000       9.203000      0.3031000     -0.8390000      0.4296000
  1 1 1     -15   -2   10 o    4.074000      0.4685000       3.761000 0.7137000       4.387000      0.6070000     -0.6252000      0.9369000
  1 1 1     -15   -2   11 o    7.297000      0.3317000       7.216000 0.4714000       7.377000      0.4667000     -0.1606000      0.6633000
  1 1 1     -15   -2   12 o    5.486000      0.2730000       5.033000 0.4067000       5.938000      0.3643000     -0.9053000      0.5460000
  1 1 1     -15   -2   13 o    5.825000      0.3842000       5.460000 0.5563000       6.190000      0.5299000     -0.7304000      0.7683000
  1 1 1     -15   -2   14 o    3.249000      0.5824000       2.740000 0.8916000       3.757000      0.7494000      -1.017000       1.165000
  1 1 1     -15   -2   15 o    7.061000      0.2595000       7.220000 0.3670000       6.902000      0.3670000      0.3184000      0.5190000
  1 1 1     -15   -2   16 o    2.718000      0.4921000       2.323000 0.7602000       3.113000      0.6252000     -0.7904000      0.9843000
  1 1 1     -15   -2   17 o    3.468000      0.4201000       3.478000 0.5938000       3.459000      0.5943000      0.1887000E-01  0.8401000
  1 1 1     -15   -2   18 o    6.622000      0.2845000       6.182000 0.4128000       7.062000      0.3917000     -0.8807000      0.5691000
  1 1 1     -15   -2   19 o    9.124000      0.2552000       8.951000 0.3619000       9.297000      0.3600000     -0.3455000      0.5105000
  1 1 1     -15   -2   20 o    4.461000      0.3730000       4.363000 0.5450000       4.558000      0.5094000     -0.1953000      0.7460000
  1 1 1     -15   -2   21 o    12.84000      0.2638000       13.30000 0.3753000       12.38000      0.3708000      0.9116000      0.5276000
  1 1 1     -15   -2   22 o    11.39000      0.2621000       11.47000 0.3735000       11.30000      0.3678000      0.1758000      0.5242000
  1 1 1     -15   -2   23 o    19.17000      0.3123000       19.37000 0.4453000       18.97000      0.4379000      0.3987000      0.6245000
  1 1 1     -15   -2   24 o    11.85000      0.2752000       12.02000 0.3880000       11.68000      0.3903000      0.3357000      0.5503000
  1 1 1     -15   -2   25 o    15.55000      0.2904000       15.83000 0.4133000       15.27000      0.4081000      0.5665000      0.5808000
  1 1 1     -15   -2   26 f    5.387000      0.5014000       5.387000 0.5014000                  ?              ?              ?              ?
  1 1 1     -15   -2   27 o    2.325000      0.6823000       2.084000 0.9352000       2.566000      0.9937000     -0.4825000       1.365000
  1 1 1     -15   -2   28 o    4.209000      0.7074000                  ?       ?   4.209000      0.7074000                  ?              ?
  1 1 1     -15   -2   29 o    3.385000      0.8148000       3.695000 1.150000       3.075000       1.154000      0.6200000       1.630000
  1 1 1     -15   -2   30 o    2.885000      0.7724000       3.053000 1.097000       2.716000       1.088000      0.3365000       1.545000
  1 1 1     -15   -2   31 o    2.396000      0.6388000       2.899000 0.9648000       1.894000      0.8376000       1.005000       1.278000
  1 1 1     -15   -2   32 f    5.635000      0.4325000       5.656000 0.6259000       5.614000      0.5970000      0.4139000E-01  0.8650000
  1 1 1     -15   -2   33 o    3.486000      0.6136000       2.927000 0.9665000       4.044000      0.7563000      -1.116000       1.227000
  1 1 1     -15   -2   34 o    2.079000      0.6141000       2.159000 0.8897000       1.998000      0.8467000      0.1618000       1.228000
  1 1 1     -15   -1    1 o    1.514000      0.4013000       1.458000 0.5627000       1.570000      0.5724000     -0.1116000      0.8027000
  1 1 1     -15   -1    2 o    14.06000      0.2251000       14.08000 0.3193000       14.04000      0.3174000      0.3500000E-01  0.4503000
  1 1 1     -15   -1    3 o    10.89000      0.2000000       10.74000 0.2822000       11.04000      0.2836000     -0.3067000      0.4001000
  1 1 1     -15   -1    4 o    2.260000      0.4116000       2.114000 0.6102000       2.407000      0.5526000     -0.2936000      0.8232000
  1 1 1     -15   -1    5 o    11.19000      0.2081000       11.10000 0.2959000       11.27000      0.2928000     -0.1771000      0.4162000
  1 1 1     -15   -1    6 o    14.45000      0.2368000       14.58000 0.3362000       14.32000      0.3336000      0.2558000      0.4736000
  1 1 1     -15   -1    7 o    15.61000      0.2491000       15.42000 0.3505000       15.81000      0.3541000     -0.3914000      0.4982000
  1 1 1     -15   -1    8 o    3.564000      0.3491000       2.889000 0.5740000       4.239000      0.3976000      -1.350000      0.6982000
  1 1 1     -15   -1    9 o    12.00000      0.2261000       12.02000 0.3203000       11.98000      0.3191000      0.4370000E-01  0.4522000
  1 1 1     -15   -1   10 o    6.932000      0.3121000       6.459000 0.4663000       7.404000      0.4150000     -0.9446000      0.6242000
  1 1 1     -15   -1   11 o    3.196000      0.4041000       3.389000 0.5367000       3.004000      0.6044000      0.3848000      0.8083000
  1 1 1     -15   -1   12 o    9.414000      0.2227000       9.427000 0.3147000       9.402000      0.3151000      0.2533000E-01  0.4453000
  1 1 1     -15   -1   13 o    4.023000      0.5130000       4.058000 0.7117000       3.989000      0.7391000      0.6918000E-01   1.026000
  1 1 1     -15   -1   14 o    4.004000      0.3841000       4.574000 0.4874000       3.435000      0.5938000       1.138000      0.7682000
  1 1 1     -15   -1   15 o    7.685000      0.2489000       7.757000 0.3539000       7.613000      0.3502000      0.1441000      0.4979000
  1 1 1     -15   -1   16 o    9.018000      0.2431000       9.041000 0.3440000       8.994000      0.3436000      0.4777000E-01  0.4863000
  1 1 1     -15   -1   17 o    5.508000      0.3152000       5.183000 0.4637000       5.832000      0.4271000     -0.6492000      0.6305000
  1 1 1     -15   -1   18 o    14.08000      0.2596000       13.96000 0.3667000       14.19000      0.3675000     -0.2273000      0.5192000
  1 1 1     -15   -1   19 o    10.05000      0.2527000       10.32000 0.3534000       9.788000      0.3613000      0.5335000      0.5054000
  1 1 1     -15   -1   20 o    8.139000      0.2591000       7.804000 0.3669000       8.474000      0.3661000     -0.6698000      0.5183000
  1 1 1     -15   -1   21 o    16.70000      0.2850000       16.92000 0.4044000       16.49000      0.4017000      0.4218000      0.5700000
  1 1 1     -15   -1   22 o    8.312000      0.3342000       8.597000 0.5366000       8.028000      0.3986000      0.5695000      0.6685000
  1 1 1     -15   -1   23 o    6.142000      0.3349000       6.657000 0.4401000       5.628000      0.5048000       1.029000      0.6697000
  1 1 1     -15   -1   24 o    12.75000      0.2705000       12.67000 0.3853000       12.83000      0.3798000     -0.1667000      0.5410000
  1 1 1     -15   -1   25 o    7.880000      0.3062000       7.835000 0.4237000       7.924000      0.4421000     -0.8862000E-01  0.6123000
  1 1 1     -15   -1   27 o    6.023000      0.3838000       6.045000 0.5448000       6.000000      0.5408000      0.4572000E-01  0.7676000
  1 1 1     -15   -1   28 o    5.261000      0.5215000       4.205000 0.8727000       6.317000      0.5714000      -2.112000       1.043000
  1 1 1     -15   -1   29 o    4.159000      0.8093000       4.365000 1.102000       3.952000       1.185000      0.4133000       1.619000
  1 1 1     -15   -1   30 o    2.091000      0.6117000       2.326000 0.9096000       1.856000      0.8182000      0.4695000       1.223000
  1 1 1     -15   -1   31 o    3.783000      0.6129000       4.499000 0.8032000       3.067000      0.9260000       1.432000       1.226000
  1 1 1     -15   -1   32 o    3.997000      0.5782000       4.550000 0.7791000       3.444000      0.8545000       1.106000       1.156000
  1 1 1     -15   -1   33 o    2.517000      0.6550000       2.566000 0.9545000       2.467000      0.8974000      0.9836000E-01   1.310000
  1 1 1     -15   -1   34 o    2.768000      0.6335000       2.972000 0.9148000       2.563000      0.8768000      0.4091000       1.267000
  1 1 1     -15    0    1 f    3.996000      0.2469000       4.040000 0.3481000       3.952000      0.3502000      0.8829000E-01  0.4938000
  1 1 1     -15    0    2 f    7.343000      0.1868000       7.073000 0.2665000       7.612000      0.2616000     -0.5385000      0.3735000
  1 1 1     -15    0    3 o    7.015000      0.1938000       7.207000 0.2708000       6.822000      0.2773000      0.3848000      0.3875000
  1 1 1     -15    0    4 o    5.429000      0.2234000       5.293000 0.3278000       5.566000      0.3036000     -0.2731000      0.4468000
  1 1 1     -15    0    5 o    11.86000      0.2131000       11.95000 0.3027000       11.77000      0.3001000      0.1825000      0.4263000
  1 1 1     -15    0    6 o    2.185000      0.4185000       1.713000 0.6362000       2.657000      0.5440000     -0.9434000      0.8371000
  1 1 1     -15    0    7 o    10.59000      0.2113000       10.73000 0.2998000       10.44000      0.2978000      0.2899000      0.4226000
  1 1 1     -15    0    8 o    3.453000      0.3425000       3.348000 0.5020000       3.559000      0.4660000     -0.2107000      0.6850000
  1 1 1     -15    0    9 o    6.139000      0.3137000       6.169000 0.4628000       6.108000      0.4237000      0.6071000E-01  0.6274000
  1 1 1     -15    0   10 o    12.41000      0.3247000       12.14000 0.4596000       12.67000      0.4588000     -0.5320000      0.6495000
  1 1 1     -15    0   11 o    15.88000      0.2604000       15.46000 0.3616000       16.31000      0.3748000     -0.8465000      0.5208000
  1 1 1     -15    0   12 o    4.736000      0.4287000       4.580000 0.6014000       4.892000      0.6112000     -0.3112000      0.8574000
  1 1 1     -15    0   13 f    2.928000      0.5434000       2.280000 0.7848000       3.576000      0.7517000      -1.296000       1.087000
  1 1 1     -15    0   14 o    11.15000      0.2354000       10.98000 0.3343000       11.33000      0.3315000     -0.3473000      0.4709000
  1 1 1     -15    0   15 o    2.434000      0.5052000       2.325000 0.7217000       2.542000      0.7072000     -0.2171000       1.010000
  1 1 1     -15    0   16 o    9.617000      0.2363000       9.775000 0.3364000       9.459000      0.3320000      0.3157000      0.4727000
  1 1 1     -15    0   17 o    8.275000      0.2528000       7.845000 0.3753000       8.705000      0.3388000     -0.8602000      0.5056000
  1 1 1     -15    0   18 o    8.651000      0.2420000       9.028000 0.3448000       8.275000      0.3397000      0.7526000      0.4840000
  1 1 1     -15    0   19 o    3.189000      0.4761000       3.371000 0.6681000       3.007000      0.6784000      0.3644000      0.9522000
  1 1 1     -15    0   20 o    8.436000      0.2606000       8.999000 0.3583000       7.874000      0.3785000       1.125000      0.5212000
  1 1 1     -15    0   21 o    10.20000      0.2542000       10.21000 0.3588000       10.20000      0.3601000      0.1199000E-01  0.5083000
  1 1 1     -15    0   22 o    4.932000      0.3379000       4.952000 0.4769000       4.911000      0.4789000      0.4075000E-01  0.6759000
  1 1 1     -15    0   23 o    3.873000      0.5004000       3.667000 0.7329000       4.079000      0.6815000     -0.4125000       1.001000
  1 1 1     -15    0   24 o    9.340000      0.2845000       9.823000 0.3972000       8.857000      0.4073000      0.9665000      0.5689000
  1 1 1     -15    0   25 o    2.573000      0.5403000       2.092000 0.7926000       3.054000      0.7343000     -0.9623000       1.081000
  1 1 1     -15    0   26 o    6.468000      0.4689000       5.760000 0.7199000       7.176000      0.6010000      -1.417000      0.9378000
  1 1 1     -15    0   27 o    10.42000      0.2771000       9.887000 0.3936000       10.95000      0.3902000      -1.067000      0.5542000
  1 1 1     -15    0   28 o    7.495000      0.5493000       6.465000 0.8362000       8.525000      0.7127000      -2.060000       1.099000
  1 1 1     -15    0   29 o    6.605000      0.5932000       6.537000 0.8081000       6.674000      0.8686000     -0.1377000       1.186000
  1 1 1     -15    0   30 o    2.971000      0.6499000       3.065000 0.9603000       2.878000      0.8761000      0.1864000       1.300000
  1 1 1     -15    0   31 o    6.641000      0.3791000       6.851000 0.5175000       6.430000      0.5542000      0.4210000      0.7583000
  1 1 1     -15    0   32 o    2.607000      0.6564000       2.779000 0.9742000       2.436000      0.8801000      0.3431000       1.313000
  1 1 1     -15    0   33 o    3.175000      0.6400000       3.759000 0.9158000       2.590000      0.8942000       1.169000       1.280000
  1 1 1     -15    0   34 o    2.777000      0.6463000       3.213000 0.9281000       2.340000      0.8996000      0.8730000       1.293000
  1 1 1     -15    1    1 o    3.734000      0.2575000       3.629000 0.3804000       3.839000      0.3471000     -0.2102000      0.5150000
  1 1 1     -15    1    2 o    4.025000      0.2498000       4.193000 0.3401000       3.857000      0.3660000      0.3365000      0.4996000
  1 1 1     -15    1    3 o    6.147000      0.2034000       6.163000 0.2828000       6.131000      0.2924000      0.3205000E-01  0.4068000
  1 1 1     -15    1    4 o    4.203000      0.2486000       3.738000 0.3704000       4.669000      0.3318000     -0.9307000      0.4973000
  1 1 1     -15    1    5 o    10.62000      0.2031000       10.84000 0.2906000       10.40000      0.2839000      0.4477000      0.4063000
  1 1 1     -15    1    6 o    7.618000      0.1981000       7.785000 0.2813000       7.452000      0.2791000      0.3331000      0.3962000
  1 1 1     -15    1    7 o    7.654000      0.2046000       7.703000 0.2894000       7.604000      0.2894000      0.9907000E-01  0.4092000
  1 1 1     -15    1    8 o    4.242000      0.3909000       4.601000 0.5458000       3.883000      0.5596000      0.7182000      0.7817000
  1 1 1     -15    1    9 f    2.390000      0.5616000       2.656000 0.8081000       2.124000      0.7803000      0.5317000       1.123000
  1 1 1     -15    1   10 o    8.657000      0.2157000       8.745000 0.3016000       8.569000      0.3084000      0.1761000      0.4314000
  1 1 1     -15    1   11 o    12.80000      0.2294000       13.17000 0.3263000       12.43000      0.3226000      0.7422000      0.4588000
  1 1 1     -15    1   12 o    8.330000      0.3336000       8.410000 0.4670000       8.251000      0.4765000      0.1590000      0.6672000
  1 1 1     -15    1   13 o    8.350000      0.2344000       8.486000 0.3291000       8.213000      0.3339000      0.2723000      0.4688000
  1 1 1     -15    1   14 o    16.62000      0.2744000       16.37000 0.3847000       16.87000      0.3913000     -0.5002000      0.5487000
  1 1 1     -15    1   15 o    10.95000      0.2380000       11.31000 0.3399000       10.59000      0.3331000      0.7146000      0.4759000
  1 1 1     -15    1   16 o    4.416000      0.3755000       4.306000 0.5403000       4.527000      0.5217000     -0.2216000      0.7511000
  1 1 1     -15    1   17 o    13.63000      0.2520000       13.37000 0.3550000       13.89000      0.3577000     -0.5226000      0.5040000
  1 1 1     -15    1   18 o    1.991000      0.4976000       1.572000 0.6775000       2.410000      0.7288000     -0.8376000      0.9951000
  1 1 1     -15    1   19 o    6.684000      0.2751000       6.695000 0.3995000       6.673000      0.3782000      0.2216000E-01  0.5501000
  1 1 1     -15    1   20 o    5.651000      0.3099000       5.634000 0.4424000       5.668000      0.4340000     -0.3357000E-01  0.6198000
  1 1 1     -15    1   21 o    17.67000      0.2928000       17.58000 0.4127000       17.75000      0.4154000     -0.1665000      0.5856000
  1 1 1     -15    1   22 o    2.437000      0.5703000       2.094000 0.8006000       2.781000      0.8123000     -0.6878000       1.141000
  1 1 1     -15    1   23 o    3.113000      0.5617000       2.892000 0.8355000       3.334000      0.7510000     -0.4424000       1.123000
  1 1 1     -15    1   24 o    7.514000      0.2985000       7.425000 0.4317000       7.603000      0.4124000     -0.1780000      0.5970000
  1 1 1     -15    1   25 o    7.017000      0.3993000       7.108000 0.5774000       6.926000      0.5518000      0.1818000      0.7987000
  1 1 1     -15    1   26 o    3.537000      0.5399000       2.869000 0.8590000       4.206000      0.6544000      -1.337000       1.080000
  1 1 1     -15    1   27 o    2.670000      0.6128000       3.169000 0.8496000       2.170000      0.8835000      0.9984000       1.226000
  1 1 1     -15    1   28 o    5.035000      0.7116000       3.761000 1.125000       6.310000      0.8720000      -2.549000       1.423000
  1 1 1     -15    1   29 f    2.595000      0.6503000       2.288000 0.9113000       2.902000      0.9278000     -0.6144000       1.301000
  1 1 1     -15    1   30 o    8.655000      0.3256000       8.423000 0.4721000       8.887000      0.4486000     -0.4640000      0.6512000
  1 1 1     -15    1   31 o    6.190000      0.3676000       6.285000 0.5310000       6.094000      0.5086000      0.1911000      0.7353000
  1 1 1     -15    1   32 o    4.599000      0.4996000       4.534000 0.7212000       4.665000      0.6915000     -0.1303000      0.9992000
  1 1 1     -15    1   33 o    2.877000      0.6439000       2.875000 0.9393000       2.879000      0.8811000     -0.4287000E-02   1.288000
  1 1 1     -15    2    1 o    9.117000      0.1974000       8.784000 0.2730000       9.450000      0.2852000     -0.6655000      0.3948000
  1 1 1     -15    2    2 o    4.651000      0.2473000       4.644000 0.3243000       4.658000      0.3735000     -0.1322000E-01  0.4946000
  1 1 1     -15    2    3 o    11.08000      0.2084000       10.96000 0.2843000       11.20000      0.3048000     -0.2389000      0.4168000
  1 1 1     -15    2    4 o    9.809000      0.2059000       9.633000 0.2820000       9.985000      0.3002000     -0.3516000      0.4118000
  1 1 1     -15    2    5 o    8.412000      0.2132000       8.663000 0.2896000       8.161000      0.3129000      0.5021000      0.4263000
  1 1 1     -15    2    6 o    3.741000      0.2928000       3.808000 0.4254000       3.675000      0.4023000      0.1336000      0.5855000
  1 1 1     -15    2    7 o    1.729000      0.5077000       1.720000 0.7242000       1.737000      0.7116000     -0.1740000E-01   1.015000
  1 1 1     -15    2    8 o    5.126000      0.3707000       4.883000 0.5608000       5.368000      0.4849000     -0.4848000      0.7414000
  1 1 1     -15    2    9 o    3.973000      0.3280000       3.294000 0.5260000       4.652000      0.3920000      -1.358000      0.6560000
  1 1 1     -15    2   10 o    10.78000      0.2223000       10.63000 0.3119000       10.93000      0.3168000     -0.2994000      0.4446000
  1 1 1     -15    2   11 o    3.599000      0.5184000       3.340000 0.7530000       3.859000      0.7128000     -0.5194000       1.037000
  1 1 1     -15    2   12 o    5.721000      0.2764000       5.393000 0.4095000       6.048000      0.3715000     -0.6550000      0.5529000
  1 1 1     -15    2   13 o    9.311000      0.2293000       8.996000 0.3282000       9.625000      0.3202000     -0.6295000      0.4586000
  1 1 1     -15    2   14 o    11.26000      0.2369000       11.15000 0.3353000       11.36000      0.3346000     -0.2022000      0.4737000
  1 1 1     -15    2   15 f    10.43000      0.2339000       10.68000 0.3315000       10.19000      0.3302000      0.4893000      0.4679000
  1 1 1     -15    2   16 o    6.632000      0.2718000       6.486000 0.3937000       6.777000      0.3748000     -0.2910000      0.5436000
  1 1 1     -15    2   17 o    7.958000      0.2494000       7.877000 0.3543000       8.039000      0.3512000     -0.1618000      0.4989000
  1 1 1     -15    2   18 o    5.927000      0.2813000       6.142000 0.3872000       5.712000      0.4080000      0.4306000      0.5625000
  1 1 1     -15    2   19 o    16.09000      0.2754000       15.79000 0.3861000       16.39000      0.3929000     -0.6055000      0.5509000
  1 1 1     -15    2   20 o    6.716000      0.2864000       6.521000 0.4135000       6.911000      0.3963000     -0.3894000      0.5728000
  1 1 1     -15    2   21 o    9.571000      0.2597000       9.227000 0.3701000       9.915000      0.3643000     -0.6885000      0.5193000
  1 1 1     -15    2   22 o    3.684000      0.4815000       3.497000 0.7078000       3.871000      0.6531000     -0.3735000      0.9631000
  1 1 1     -15    2   23 o    5.024000      0.3802000       5.599000 0.4809000       4.449000      0.5891000       1.150000      0.7604000
  1 1 1     -15    2   24 f    5.430000      0.4549000       5.301000 0.6624000       5.558000      0.6236000     -0.2569000      0.9098000
  1 1 1     -15    2   25 o    6.852000      0.4219000       5.927000 0.6627000       7.777000      0.5224000      -1.850000      0.8438000
  1 1 1     -15    2   26 o    3.395000      0.5362000       4.471000 0.6360000       2.318000      0.8634000       2.153000       1.072000
  1 1 1     -15    2   27 o    5.763000      0.9147000       5.763000 0.9147000                  ?              ?              ?              ?
  1 1 1     -15    2   28 o    5.886000      0.3996000       5.820000 0.5610000       5.952000      0.5693000     -0.1322000      0.7993000
  1 1 1     -15    2   29 o    4.930000      0.5495000       4.890000 0.8948000       4.969000      0.6380000     -0.7853000E-01   1.099000
  1 1 1     -15    2   30 o    8.950000      0.3186000       9.164000 0.4450000       8.735000      0.4561000      0.4297000      0.6372000
  1 1 1     -15    2   31 o    1.982000      0.5844000       2.169000 0.8675000       1.794000      0.7833000      0.3749000       1.169000
  1 1 1     -15    2   32 o    3.158000      0.5818000       4.060000 0.7692000       2.256000      0.8732000       1.804000       1.164000
  1 1 1     -15    2   33 f    3.585000      0.6026000       3.933000 0.8279000       3.236000      0.8759000      0.6965000       1.205000
  1 1 1     -15    3    1 o    11.59000      0.2089000       11.51000 0.2902000       11.68000      0.3005000     -0.1789000      0.4177000
  1 1 1     -15    3    2 o    5.460000      0.2282000       5.514000 0.3023000       5.407000      0.3420000      0.1068000      0.4565000
  1 1 1     -15    3    3 o    9.537000      0.2047000       9.696000 0.2805000       9.377000      0.2982000      0.3195000      0.4094000
  1 1 1     -15    3    4 o    7.680000      0.2102000       7.747000 0.2830000       7.614000      0.3108000      0.1335000      0.4204000
  1 1 1     -15    3    5 o    6.991000      0.2174000       7.156000 0.2936000       6.826000      0.3208000      0.3304000      0.4349000
  1 1 1     -15    3    6 o    2.524000      0.5605000       2.912000 0.7367000       2.136000      0.8450000      0.7754000       1.121000
  1 1 1     -15    3    7 o    10.10000      0.3125000       9.751000 0.4139000       10.45000      0.4684000     -0.7029000      0.6251000
  1 1 1     -15    3    8 o    7.968000      0.2276000       7.756000 0.3063000       8.181000      0.3366000     -0.4248000      0.4551000
  1 1 1     -15    3    9 o    4.104000      0.3365000       3.392000 0.5104000       4.816000      0.4386000      -1.425000      0.6729000
  1 1 1     -15    3   10 o    3.307000      0.5366000       3.309000 0.7258000       3.306000      0.7907000      0.3222000E-02   1.073000
  1 1 1     -15    3   11 o    3.975000      0.3746000       3.957000 0.5002000       3.994000      0.5579000     -0.3704000E-01  0.7493000
  1 1 1     -15    3   12 o    2.490000      0.5685000       2.062000 0.7058000       2.918000      0.8913000     -0.8559000       1.137000
  1 1 1     -15    3   13 o    6.837000      0.2473000       6.801000 0.3587000       6.873000      0.3405000     -0.7223000E-01  0.4945000
  1 1 1     -15    3   14 f    4.495000      0.3214000       4.319000 0.4600000       4.671000      0.4489000     -0.3520000      0.6428000
  1 1 1     -15    3   15 o    5.735000      0.2637000       5.345000 0.3839000       6.124000      0.3615000     -0.7794000      0.5274000
  1 1 1     -15    3   16 o    2.886000      0.4835000       3.341000 0.6233000       2.430000      0.7393000      0.9113000      0.9670000
  1 1 1     -15    3   17 o    3.874000      0.3919000       3.221000 0.6360000       4.528000      0.4580000      -1.307000      0.7838000
  1 1 1     -15    3   18 o    2.468000      0.5256000       2.464000 0.7539000       2.473000      0.7326000     -0.9377000E-02   1.051000
  1 1 1     -15    3   19 o    17.43000      0.2873000       17.52000 0.4081000       17.35000      0.4045000      0.1718000      0.5746000
  1 1 1     -15    3   20 o    8.423000      0.2592000       8.406000 0.3674000       8.439000      0.3658000     -0.3230000E-01  0.5185000
  1 1 1     -15    3   21 o    7.123000      0.2759000       7.205000 0.3870000       7.040000      0.3933000      0.1660000      0.5518000
  1 1 1     -15    3   22 o    7.413000      0.2911000       7.875000 0.4037000       6.950000      0.4195000      0.9254000      0.5822000
  1 1 1     -15    3   23 o    7.472000      0.3887000       7.414000 0.5722000       7.530000      0.5263000     -0.1165000      0.7774000
  1 1 1     -15    3   24 o    8.675000      0.3846000       9.471000 0.5364000       7.879000      0.5511000       1.592000      0.7691000
  1 1 1     -15    3   25 o    6.661000      0.3413000       6.607000 0.4912000       6.715000      0.4741000     -0.1084000      0.6827000
  1 1 1     -15    3   26 o    5.864000      0.5988000       5.942000 0.8285000       5.787000      0.8649000      0.1549000       1.198000
  1 1 1     -15    3   27 o    14.19000      0.6031000       14.19000 0.6031000                  ?              ?              ?              ?
  1 1 1     -15    3   28 f    6.063000      0.3887000       6.061000 0.5566000       6.065000      0.5428000     -0.3811000E-02  0.7775000
  1 1 1     -15    3   29 o    4.105000      0.7695000                  ?       ?   4.105000      0.7695000                  ?              ?
  1 1 1     -15    3   30 o    3.949000      0.5739000       3.493000 0.9005000       4.406000      0.7116000     -0.9127000       1.148000
  1 1 1     -15    3   31 o    6.398000      0.3794000       6.185000 0.5634000       6.611000      0.5082000     -0.4259000      0.7587000
  1 1 1     -15    3   32 f    2.557000      0.5894000       1.777000 0.7945000       3.338000      0.8708000      -1.561000       1.179000
  1 1 1     -15    3   33 o    2.275000      0.5740000       3.018000 0.8964000       1.532000      0.7170000       1.485000       1.148000
  1 1 1     -15    4    1 o    6.916000      0.2379000       6.802000 0.3711000       7.030000      0.2977000     -0.2272000      0.4758000
  1 1 1     -15    4    2 o    10.24000      0.2059000       10.14000 0.2812000       10.35000      0.3007000     -0.2165000      0.4117000
  1 1 1     -15    4    3 o    8.432000      0.2497000       8.228000 0.2800000       8.636000      0.4135000     -0.4074000      0.4994000
  1 1 1     -15    4    4 o    9.793000      0.2109000       9.744000 0.2854000       9.843000      0.3106000     -0.9868000E-01  0.4218000
  1 1 1     -15    4    5 o    4.757000      0.4071000       4.299000 0.5549000       5.214000      0.5957000     -0.9148000      0.8141000
  1 1 1     -15    4    6 o    6.026000      0.3399000       5.189000 0.4477000       6.864000      0.5116000      -1.674000      0.6798000
  1 1 1     -15    4    7 o    10.07000      0.2209000       10.15000 0.3004000       9.990000      0.3240000      0.1645000      0.4418000
  1 1 1     -15    4    8 o    5.229000      0.2776000       5.269000 0.3563000       5.190000      0.4258000      0.7933000E-01  0.5552000
  1 1 1     -15    4    9 o    3.657000      0.4884000       3.492000 0.6886000       3.822000      0.6927000     -0.3302000      0.9768000
  1 1 1     -15    4   10 o    5.975000      0.2652000       5.732000 0.3546000       6.217000      0.3945000     -0.4854000      0.5304000
  1 1 1     -15    4   11 o    10.53000      0.2383000       10.47000 0.3230000       10.59000      0.3506000     -0.1194000      0.4767000
  1 1 1     -15    4   12 o    2.970000      0.4642000       2.580000 0.6584000       3.359000      0.6547000     -0.7789000      0.9285000
  1 1 1     -15    4   13 o    15.75000      0.2689000       16.37000 0.3793000       15.14000      0.3813000       1.228000      0.5378000
  1 1 1     -15    4   14 o    2.166000      0.5274000       2.217000 0.7292000       2.116000      0.7621000      0.1010000       1.055000
  1 1 1     -15    4   15 o    11.85000      0.2467000       11.83000 0.3361000       11.87000      0.3613000     -0.3327000E-01  0.4935000
  1 1 1     -15    4   16 o    19.77000      0.3110000       20.07000 0.4374000       19.46000      0.4422000      0.6160000      0.6219000
  1 1 1     -15    4   17 o    13.16000      0.2567000       12.78000 0.3479000       13.55000      0.3775000     -0.7696000      0.5134000
  1 1 1     -15    4   18 o    7.566000      0.2739000       7.087000 0.3802000       8.046000      0.3945000     -0.9589000      0.5479000
  1 1 1     -15    4   19 o    9.044000      0.2600000       8.989000 0.3459000       9.098000      0.3884000     -0.1095000      0.5201000
  1 1 1     -15    4   20 o    2.399000      0.5691000       2.600000 0.7748000       2.197000      0.8338000      0.4033000       1.138000
  1 1 1     -15    4   21 o    4.069000      0.5701000       3.679000 0.6878000       4.460000      0.9095000     -0.7813000       1.140000
  1 1 1     -15    4   22 o    8.937000      0.3747000       9.297000 0.3759000       8.578000      0.6483000      0.7190000      0.7494000
  1 1 1     -15    4   23 o    11.00000      0.3668000       10.55000 0.5138000       11.44000      0.5236000     -0.8907000      0.7336000
  1 1 1     -15    4   24 o    9.371000      0.2801000       9.141000 0.4068000       9.600000      0.3850000     -0.4582000      0.5601000
  1 1 1     -15    4   25 o    1.671000      0.5200000       1.927000 0.8123000       1.415000      0.6496000      0.5117000       1.040000
  1 1 1     -15    4   26 o    7.241000      0.5154000       6.322000 0.7547000       8.161000      0.7022000      -1.838000       1.031000
  1 1 1     -15    4   27 o    4.986000      0.4216000       5.167000 0.6240000       4.805000      0.5671000      0.3620000      0.8432000
  1 1 1     -15    4   28 o    2.373000      0.6118000       2.718000 0.9086000       2.028000      0.8196000      0.6902000       1.224000
  1 1 1     -15    4   29 o    2.007000      0.5895000       1.899000 0.8473000       2.115000      0.8200000     -0.2167000       1.179000
  1 1 1     -15    4   30 o    1.727000      0.5362000       1.804000 0.7784000       1.650000      0.7377000      0.1539000       1.072000
  1 1 1     -15    4   31 o    6.036000      0.3724000       5.731000 0.5667000       6.340000      0.4834000     -0.6095000      0.7448000
  1 1 1     -15    4   32 o    2.470000      0.6137000       2.313000 0.8828000       2.626000      0.8526000     -0.3124000       1.227000
  1 1 1     -15    5    1 o    7.829000      0.2101000       7.720000 0.3005000       7.937000      0.2938000     -0.2167000      0.4203000
  1 1 1     -15    5    2 o    4.079000      0.3024000       3.802000 0.4580000       4.356000      0.3950000     -0.5538000      0.6048000
  1 1 1     -15    5    3 o    6.685000      0.2268000       6.367000 0.3300000       7.004000      0.3111000     -0.6365000      0.4535000
  1 1 1     -15    5    4 f    2.828000      0.5619000       2.834000 0.7325000       2.821000      0.8524000      0.1276000E-01   1.124000
  1 1 1     -15    5    5 o    2.944000      0.5459000       3.340000 0.6576000       2.548000      0.8717000      0.7927000       1.092000
  1 1 1     -15    5    6 o    5.582000      0.2548000       5.896000 0.3179000       5.267000      0.3982000      0.6295000      0.5095000
  1 1 1     -15    5    7 o    4.035000      0.3139000       4.142000 0.3889000       3.929000      0.4930000      0.2129000      0.6279000
  1 1 1     -15    5    8 o    4.398000      0.4228000       4.848000 0.5314000       3.948000      0.6578000      0.9001000      0.8457000
  1 1 1     -15    5    9 o    11.12000      0.2336000       11.39000 0.3194000       10.85000      0.3409000      0.5379000      0.4671000
  1 1 1     -15    5   10 o    5.072000      0.2983000       5.091000 0.3787000       5.053000      0.4610000      0.3787000E-01  0.5966000
  1 1 1     -15    5   11 o    9.504000      0.2314000       9.977000 0.3133000       9.031000      0.3407000      0.9458000      0.4629000
  1 1 1     -15    5   12 o    4.806000      0.3265000       4.243000 0.4735000       5.369000      0.4497000      -1.126000      0.6530000
  1 1 1     -15    5   13 o    10.68000      0.2395000       10.76000 0.3244000       10.61000      0.3524000      0.1465000      0.4790000
  1 1 1     -15    5   14 o    4.303000      0.3627000       5.087000 0.4110000       3.519000      0.5978000       1.569000      0.7255000
  1 1 1     -15    5   15 f    22.97000      0.3441000       22.82000 0.4809000       23.12000      0.4923000     -0.3016000      0.6882000
  1 1 1     -15    5   16 o    13.24000      0.2571000       13.25000 0.3525000       13.23000      0.3742000      0.2478000E-01  0.5141000
  1 1 1     -15    5   17 o    7.463000      0.2728000       7.895000 0.3552000       7.032000      0.4143000      0.8629000      0.5457000
  1 1 1     -15    5   18 o    4.103000      0.4186000       4.123000 0.5241000       4.083000      0.6527000      0.3908000E-01  0.8371000
  1 1 1     -15    5   19 o    13.32000      0.2690000       12.98000 0.3634000       13.66000      0.3968000     -0.6801000      0.5381000
  1 1 1     -15    5   20 o    11.80000      0.2738000       12.45000 0.3670000       11.16000      0.4065000       1.286000      0.5477000
  1 1 1     -15    5   21 o    4.018000      0.5148000       3.460000 0.7497000       4.575000      0.7057000      -1.115000       1.030000
  1 1 1     -15    5   22 o    6.096000      0.5377000       6.300000 0.5697000       5.891000      0.9122000      0.4098000       1.075000
  1 1 1     -15    5   23 o    3.371000      0.5538000       2.917000 0.7749000       3.825000      0.7913000     -0.9080000       1.108000
  1 1 1     -15    5   24 o    8.349000      0.3193000       8.652000 0.4107000       8.047000      0.4891000      0.6050000      0.6387000
  1 1 1     -15    5   25 o    5.280000      0.5917000       5.208000 0.8421000       5.352000      0.8315000     -0.1442000       1.183000
  1 1 1     -15    5   26 o    2.470000      0.6368000       2.531000 0.8654000       2.408000      0.9346000      0.1240000       1.274000
  1 1 1     -15    5   27 o    2.645000      0.6392000       2.983000 0.8559000       2.307000      0.9495000      0.6767000       1.278000
  1 1 1     -15    5   28 o    3.397000      0.6512000       3.631000 0.8098000       3.164000       1.020000      0.4673000       1.302000
  1 1 1     -15    5   29 f    2.330000      0.6076000       1.553000 0.7241000       3.107000      0.9759000      -1.554000       1.215000
  1 1 1     -15    5   30 o    5.991000      0.4235000       6.760000 0.4929000       5.223000      0.6887000       1.537000      0.8469000
  1 1 1     -15    5   31 o    7.220000      0.4470000       6.792000 0.5054000       7.648000      0.7375000     -0.8560000      0.8940000
  1 1 1     -15    5   32 o    3.404000      0.5738000       4.413000 0.7096000       2.396000      0.9019000       2.017000       1.148000
  1 1 1     -15    6    1 o    6.661000      0.2218000       6.315000 0.3177000       7.006000      0.3096000     -0.6905000      0.4436000
  1 1 1     -15    6    2 o    8.065000      0.2184000       7.874000 0.3123000       8.255000      0.3055000     -0.3810000      0.4369000
  1 1 1     -15    6    3 o    3.680000      0.4587000       3.439000 0.5960000       3.921000      0.6974000     -0.4820000      0.9174000
  1 1 1     -15    6    4 o    13.41000      0.2366000       13.25000 0.3328000       13.56000      0.3365000     -0.3147000      0.4732000
  1 1 1     -15    6    5 o    6.402000      0.2510000       6.453000 0.3536000       6.351000      0.3563000      0.1023000      0.5020000
  1 1 1     -15    6    6 o    7.070000      0.3678000       6.648000 0.5883000       7.492000      0.4415000     -0.8445000      0.7355000
  1 1 1     -15    6    7 o    10.69000      0.4492000                  ?       ?   10.69000      0.4492000                  ?              ?
  1 1 1     -15    6    8 o    10.12000      0.2292000       10.18000 0.3119000       10.05000      0.3358000      0.1269000      0.4583000
  1 1 1     -15    6    9 o    4.237000      0.3325000       4.355000 0.4302000       4.118000      0.5070000      0.2364000      0.6649000
  1 1 1     -15    6   10 o    2.009000      0.5002000       2.148000 0.6901000       1.871000      0.7243000      0.2772000       1.000000
  1 1 1     -15    6   11 o    6.588000      0.2561000       6.750000 0.3304000       6.427000      0.3915000      0.3236000      0.5123000
  1 1 1     -15    6   12 o    4.577000      0.3278000       4.562000 0.4227000       4.591000      0.5013000     -0.2856000E-01  0.6557000
  1 1 1     -15    6   13 o    4.867000      0.3398000       5.154000 0.3927000       4.580000      0.5547000      0.5743000      0.6796000
  1 1 1     -15    6   14 o    6.202000      0.2751000       6.197000 0.3627000       6.207000      0.4138000     -0.1010000E-01  0.5502000
  1 1 1     -15    6   15 o    20.07000      0.3137000       20.21000 0.4382000       19.92000      0.4490000      0.2925000      0.6274000
  1 1 1     -15    6   16 o    12.23000      0.2543000       11.63000 0.3480000       12.83000      0.3709000      -1.196000      0.5086000
  1 1 1     -15    6   17 o    13.29000      0.2625000       13.54000 0.3613000       13.03000      0.3811000      0.5126000      0.5251000
  1 1 1     -15    6   18 o    3.559000      0.4956000       2.957000 0.7561000       4.161000      0.6408000      -1.204000      0.9911000
  1 1 1     -15    6   19 o    17.75000      0.3018000       17.53000 0.4125000       17.96000      0.4406000     -0.4273000      0.6036000
  1 1 1     -15    6   20 o    6.448000      0.3419000       6.394000 0.4496000       6.502000      0.5153000     -0.1075000      0.6839000
  1 1 1     -15    6   21 o    5.437000      0.5674000       4.850000 0.7647000       6.024000      0.8385000      -1.174000       1.135000
  1 1 1     -15    6   22 o    11.75000      0.2778000       11.80000 0.3688000       11.69000      0.4156000      0.1117000      0.5557000
  1 1 1     -15    6   23 o    3.317000      0.6030000       3.437000 0.7695000       3.197000      0.9286000      0.2399000       1.206000
  1 1 1     -15    6   24 o    7.858000      0.4822000       8.472000 0.6337000       7.244000      0.7269000       1.228000      0.9644000
  1 1 1     -15    6   25 o    8.146000      0.3462000       8.108000 0.4325000       8.184000      0.5408000     -0.7612000E-01  0.6925000
  1 1 1     -15    6   26 o    4.911000      0.4770000       5.300000 0.5518000       4.521000      0.7782000      0.7788000      0.9540000
  1 1 1     -15    6   27 o    3.657000      0.5831000       4.447000 0.6373000       2.868000      0.9766000       1.579000       1.166000
  1 1 1     -15    6   28 o    3.780000      0.6122000       3.010000 0.9023000       4.551000      0.8276000      -1.541000       1.224000
  1 1 1     -15    6   29 o    3.385000      0.6125000       4.003000 0.7806000       2.768000      0.9440000       1.235000       1.225000
  1 1 1     -15    6   30 o    6.214000      0.3945000       6.293000 0.5493000       6.135000      0.5665000      0.1587000      0.7891000
  1 1 1     -15    6   31 o    2.361000      0.6233000       1.996000 0.8544000       2.726000      0.9077000     -0.7299000       1.247000
  1 1 1     -15    6   32 o    2.340000      0.6381000       1.985000 0.8838000       2.694000      0.9206000     -0.7095000       1.276000
  1 1 1     -15    7    1 o    1.862000      0.5135000       1.615000 0.6576000       2.109000      0.7888000     -0.4947000       1.027000
  1 1 1     -15    7    2 o    8.196000      0.2904000       8.194000 0.3929000       8.198000      0.4278000     -0.3742000E-02  0.5808000
  1 1 1     -15    7    3 o    8.271000      0.2213000       8.183000 0.3190000       8.358000      0.3069000     -0.1752000      0.4426000
  1 1 1     -15    7    4 o    3.190000      0.4108000       2.836000 0.6311000       3.543000      0.5260000     -0.7073000      0.8216000
  1 1 1     -15    7    5 o    2.388000      0.5622000       1.939000 0.8367000       2.837000      0.7512000     -0.8984000       1.124000
  1 1 1     -15    7    6 o    6.002000      0.3127000       5.893000 0.3972000       6.110000      0.4830000     -0.2175000      0.6254000
  1 1 1     -15    7    7 o    10.20000      0.2379000       10.21000 0.3385000       10.19000      0.3345000      0.1621000E-01  0.4759000
  1 1 1     -15    7    8 o    8.218000      0.2468000       8.662000 0.3458000       7.774000      0.3521000      0.8885000      0.4935000
  1 1 1     -15    7    9 o    8.110000      0.2426000       7.878000 0.3383000       8.341000      0.3480000     -0.4636000      0.4853000
  1 1 1     -15    7   10 o    4.408000      0.3359000       4.714000 0.3789000       4.102000      0.5547000      0.6115000      0.6718000
  1 1 1     -15    7   11 o    4.004000      0.3743000       4.273000 0.4530000       3.736000      0.5960000      0.5369000      0.7487000
  1 1 1     -15    7   12 o    9.233000      0.2426000       9.359000 0.3269000       9.107000      0.3586000      0.2525000      0.4852000
  1 1 1     -15    7   13 o    8.842000      0.2427000       9.018000 0.3251000       8.666000      0.3605000      0.3520000      0.4854000
  1 1 1     -15    7   14 o    7.927000      0.2574000       7.794000 0.3500000       8.059000      0.3775000     -0.2641000      0.5148000
  1 1 1     -15    7   15 o    7.898000      0.2695000       7.852000 0.3525000       7.944000      0.4077000     -0.9172000E-01  0.5390000
  1 1 1     -15    7   16 o    10.61000      0.2534000       10.65000 0.3393000       10.56000      0.3765000      0.9310000E-01  0.5068000
  1 1 1     -15    7   17 o    11.48000      0.2587000       11.67000 0.3496000       11.28000      0.3815000      0.3887000      0.5174000
  1 1 1     -15    7   18 o    3.526000      0.5252000       3.486000 0.6864000       3.566000      0.7952000     -0.7991000E-01   1.050000
  1 1 1     -15    7   19 o    7.662000      0.3062000       8.096000 0.3923000       7.228000      0.4702000      0.8673000      0.6124000
  1 1 1     -15    7   20 o    3.441000      0.7128000       2.805000 0.9362000       4.077000       1.075000      -1.272000       1.426000
  1 1 1     -15    7   21 o    2.548000      0.6202000       2.547000 0.8422000       2.548000      0.9107000     -0.1523000E-02   1.240000
  1 1 1     -15    7   22 o    7.544000      0.3251000       7.836000 0.4074000       7.251000      0.5066000      0.5849000      0.6501000
  1 1 1     -15    7   23 o    2.362000      0.6691000       2.876000 1.024000       1.849000      0.8608000       1.027000       1.338000
  1 1 1     -15    7   24 o    8.052000      0.3309000       8.222000 0.4301000       7.882000      0.5030000      0.3399000      0.6618000
  1 1 1     -15    7   25 o    10.16000      0.3059000       10.17000 0.4017000       10.15000      0.4615000      0.1923000E-01  0.6118000
  1 1 1     -15    7   26 o    3.426000      0.6203000       2.389000 0.8929000       4.464000      0.8614000      -2.075000       1.241000
  1 1 1     -15    7   27 o    5.808000      0.4609000       6.514000 0.5095000       5.103000      0.7681000       1.411000      0.9217000
  1 1 1     -15    7   28 o    2.811000      0.8698000       2.811000 0.8698000                  ?              ?              ?              ?
  1 1 1     -15    7   29 o    3.903000      0.5753000       3.747000 0.7636000       4.059000      0.8607000     -0.3118000       1.151000
  1 1 1     -15    7   30 o    2.457000      0.6605000       2.523000 0.9711000       2.390000      0.8955000      0.1329000       1.321000
  1 1 1     -15    7   31 o    2.422000      0.6354000       2.496000 0.9098000       2.348000      0.8873000      0.1472000       1.271000
  1 1 1     -15    8    1 o    5.789000      0.3467000                  ?       ?   5.789000      0.3467000                  ?              ?
  1 1 1     -15    8    2 o    8.658000      0.2195000       8.594000 0.3165000       8.722000      0.3041000     -0.1287000      0.4389000
  1 1 1     -15    8    3 f    15.20000      0.3672000       14.69000 0.5308000       15.72000      0.5074000      -1.027000      0.7343000
  1 1 1     -15    8    4 o    3.436000      0.5643000       3.148000 0.8914000       3.723000      0.6922000     -0.5752000       1.129000
  1 1 1     -15    8    5 o    4.966000      0.2919000       4.744000 0.4260000       5.188000      0.3992000     -0.4445000      0.5838000
  1 1 1     -15    8    6 o    6.542000      0.2581000       6.676000 0.3694000       6.409000      0.3606000      0.2673000      0.5162000
  1 1 1     -15    8    7 o    4.038000      0.3794000       4.408000 0.4873000       3.667000      0.5817000      0.7405000      0.7589000
  1 1 1     -15    8    8 o    11.58000      0.2787000       11.94000 0.4446000       11.21000      0.3362000      0.7302000      0.5574000
  1 1 1     -15    8    9 o    6.692000      0.2699000       6.892000 0.3806000       6.493000      0.3829000      0.3996000      0.5399000
  1 1 1     -15    8   10 o    8.349000      0.2540000       8.265000 0.3533000       8.434000      0.3650000     -0.1698000      0.5080000
  1 1 1     -15    8   11 o    6.980000      0.2688000       6.916000 0.3779000       7.044000      0.3824000     -0.1278000      0.5376000
  1 1 1     -15    8   12 o    2.605000      0.5611000       2.748000 0.7810000       2.462000      0.8060000      0.2859000       1.122000
  1 1 1     -15    8   13 o    10.48000      0.2390000       10.07000 0.3195000       10.88000      0.3556000     -0.8071000      0.4781000
  1 1 1     -15    8   14 o    7.637000      0.2639000       7.226000 0.3456000       8.048000      0.3990000     -0.8212000      0.5278000
  1 1 1     -15    8   15 o    7.089000      0.2748000       7.089000 0.3617000       7.088000      0.4139000      0.1036000E-02  0.5497000
  1 1 1     -15    8   16 o    5.759000      0.3362000       6.544000 0.3759000       4.975000      0.5575000       1.569000      0.6724000
  1 1 1     -15    8   17 o    2.208000      0.5045000       2.906000 0.7318000       1.510000      0.6946000       1.395000       1.009000
  1 1 1     -15    8   18 o    10.10000      0.3131000       10.50000 0.4887000       9.709000      0.3916000      0.7866000      0.6262000
  1 1 1     -15    8   19 o    9.331000      0.4109000       9.499000 0.5233000       9.162000      0.6337000      0.3375000      0.8218000
  1 1 1     -15    8   20 o    2.109000      0.5679000       2.208000 0.7754000       2.010000      0.8298000      0.1975000       1.136000
  1 1 1     -15    8   21 o    3.730000      0.5310000       3.866000 0.6779000       3.593000      0.8175000      0.2727000       1.062000
  1 1 1     -15    8   22 o    3.537000      0.7338000       4.054000 0.9713000       3.019000       1.100000       1.035000       1.468000
  1 1 1     -15    8   23 o    7.066000      0.3420000       7.055000 0.4503000       7.078000      0.5149000     -0.2267000E-01  0.6840000
  1 1 1     -15    8   24 o    6.150000      0.3986000       6.756000 0.4521000       5.544000      0.6566000       1.212000      0.7972000
  1 1 1     -15    8   25 o    2.001000      0.6036000       1.992000 0.8259000       2.010000      0.8805000     -0.1809000E-01   1.207000
  1 1 1     -15    8   26 o    2.913000      0.6565000       3.074000 0.8467000       2.752000       1.004000      0.3221000       1.313000
  1 1 1     -15    8   27 o    4.115000      0.5919000       4.305000 0.7198000       3.924000      0.9398000      0.3812000       1.184000
  1 1 1     -15    8   28 o    2.804000      0.8926000       2.804000 0.8926000                  ?              ?              ?              ?
  1 1 1     -15    8   29 o    3.085000      0.6063000       3.667000 0.7861000       2.503000      0.9232000       1.164000       1.213000
  1 1 1     -15    8   30 o    2.620000      0.9104000                  ?       ?   2.620000      0.9104000                  ?              ?
  1 1 1     -15    9    1 o    6.669000      0.2928000                  ?       ?   6.669000      0.2928000                  ?              ?
  1 1 1     -15    9    2 o    9.016000      0.3420000       8.954000 0.5257000       9.078000      0.4376000     -0.1239000      0.6840000
  1 1 1     -15    9    3 o    8.169000      0.2272000       8.383000 0.3212000       7.955000      0.3215000      0.4271000      0.4545000
  1 1 1     -15    9    4 o    7.650000      0.2337000       7.619000 0.3346000       7.680000      0.3262000     -0.6167000E-01  0.4673000
  1 1 1     -15    9    5 o    6.167000      0.2697000       6.140000 0.3721000       6.195000      0.3906000     -0.5429000E-01  0.5395000
  1 1 1     -15    9    6 o    8.116000      0.2363000       8.131000 0.3299000       8.101000      0.3384000      0.3072000E-01  0.4726000
  1 1 1     -15    9    7 o    2.742000      0.4857000       2.520000 0.7014000       2.964000      0.6720000     -0.4440000      0.9713000
  1 1 1     -15    9    8 o    14.57000      0.2594000       14.80000 0.3723000       14.34000      0.3614000      0.4624000      0.5188000
  1 1 1     -15    9    9 o    1.922000      0.4986000       2.336000 0.7356000       1.507000      0.6734000      0.8293000      0.9973000
  1 1 1     -15    9   10 o    10.07000      0.2449000       10.29000 0.3472000       9.854000      0.3455000      0.4387000      0.4898000
  1 1 1     -15    9   11 o    4.373000      0.3814000       4.594000 0.4957000       4.152000      0.5797000      0.4418000      0.7627000
  1 1 1     -15    9   12 o    14.58000      0.2671000       14.77000 0.3797000       14.38000      0.3759000      0.3934000      0.5343000
  1 1 1     -15    9   13 o    12.64000      0.3552000       12.28000 0.6040000       13.00000      0.3742000     -0.7233000      0.7105000
  1 1 1     -15    9   14 o    8.321000      0.2731000       8.476000 0.3830000       8.165000      0.3895000      0.3108000      0.5462000
  1 1 1     -15    9   15 o    3.676000      0.4563000       3.336000 0.5989000       4.017000      0.6886000     -0.6806000      0.9126000
  1 1 1     -15    9   16 o    1.789000      0.4962000       2.120000 0.7256000       1.459000      0.6771000      0.6613000      0.9925000
  1 1 1     -15    9   17 f    4.445000      0.5747000       4.092000 0.7128000       4.798000      0.9018000     -0.7066000       1.149000
  1 1 1     -15    9   18 o    4.413000      0.6410000       4.859000 0.6886000       3.968000       1.082000      0.8908000       1.282000
  1 1 1     -15    9   19 o    8.994000      0.2873000       9.391000 0.3696000       8.597000      0.4401000      0.7938000      0.5747000
  1 1 1     -15    9   20 o    5.741000      0.4341000       5.927000 0.6633000       5.554000      0.5603000      0.3728000      0.8682000
  1 1 1     -15    9   21 o    5.375000      0.5274000       5.248000 0.7085000       5.503000      0.7814000     -0.2552000       1.055000
  1 1 1     -15    9   22 o    6.024000      0.3792000       5.873000 0.5036000       6.175000      0.5672000     -0.3015000      0.7585000
  1 1 1     -15    9   23 f    7.270000      0.3614000       7.668000 0.4516000       6.871000      0.5643000      0.7963000      0.7228000
  1 1 1     -15    9   24 o    4.671000      0.4851000       4.303000 0.6594000       5.040000      0.7117000     -0.7369000      0.9702000
  1 1 1     -15    9   25 o    2.319000      0.6240000       2.059000 0.8121000       2.579000      0.9476000     -0.5198000       1.248000
  1 1 1     -15    9   26 o    3.134000      0.6219000       3.765000 0.7713000       2.504000      0.9759000       1.261000       1.244000
  1 1 1     -15    9   27 o    4.081000      0.5812000       3.944000 0.7580000       4.218000      0.8814000     -0.2742000       1.162000
  1 1 1     -15    9   28 o    5.456000      0.4208000       5.243000 0.5605000       5.669000      0.6277000     -0.4258000      0.8415000
  1 1 1     -15    9   29 o    5.456000      0.4472000       5.748000 0.5909000       5.164000      0.6714000      0.5842000      0.8944000
  1 1 1     -15    9   30 f    2.849000      0.6983000       2.914000 1.050000       2.783000      0.9205000      0.1312000       1.397000
  1 1 1     -15   10    1 o    3.879000      0.3446000       4.070000 0.4674000       3.689000      0.5064000      0.3814000      0.6891000
  1 1 1     -15   10    2 o    6.426000      0.2387000       6.266000 0.3365000       6.585000      0.3388000     -0.3190000      0.4775000
  1 1 1     -15   10    3 o    8.201000      0.2262000       8.261000 0.3160000       8.141000      0.3237000      0.1195000      0.4524000
  1 1 1     -15   10    4 o    3.816000      0.3720000       3.112000 0.5919000       4.521000      0.4509000      -1.409000      0.7441000
  1 1 1     -15   10    5 o    4.566000      0.3038000       4.736000 0.4084000       4.396000      0.4500000      0.3402000      0.6077000
  1 1 1     -15   10    6 o    5.628000      0.2852000       5.061000 0.4290000       6.196000      0.3761000      -1.135000      0.5705000
  1 1 1     -15   10    7 o    4.358000      0.3490000       3.962000 0.5097000       4.755000      0.4770000     -0.7928000      0.6981000
  1 1 1     -15   10    8 o    5.921000      0.2874000       5.753000 0.4151000       6.089000      0.3977000     -0.3357000      0.5749000
  1 1 1     -15   10    9 o    3.156000      0.4717000       2.846000 0.7036000       3.465000      0.6283000     -0.6185000      0.9433000
  1 1 1     -15   10   10 o    6.257000      0.2936000       5.822000 0.4291000       6.693000      0.4009000     -0.8706000      0.5873000
  1 1 1     -15   10   11 o    5.439000      0.3145000       5.467000 0.4256000       5.412000      0.4632000      0.5487000E-01  0.6290000
  1 1 1     -15   10   12 o    11.30000      0.2545000       11.24000 0.3652000       11.37000      0.3547000     -0.1268000      0.5091000
  1 1 1     -15   10   13 o    2.448000      0.5537000       2.764000 0.7577000       2.132000      0.8075000      0.6317000       1.107000
  1 1 1     -15   10   14 o    2.998000      0.5620000       3.048000 0.7997000       2.947000      0.7900000      0.1012000       1.124000
  1 1 1     -15   10   15 o    5.661000      0.3777000       6.576000 0.4475000       4.746000      0.6085000       1.830000      0.7554000
  1 1 1     -15   10   16 o    7.210000      0.4437000       7.753000 0.5104000       6.667000      0.7260000       1.086000      0.8875000
  1 1 1     -15   10   17 o    8.877000      0.2776000       9.005000 0.3519000       8.750000      0.4295000      0.2548000      0.5553000
  1 1 1     -15   10   18 o    11.81000      0.2690000       11.99000 0.3518000       11.63000      0.4070000      0.3653000      0.5379000
  1 1 1     -15   10   19 o    2.830000      0.7082000       2.871000 0.9937000       2.788000       1.009000      0.8315000E-01   1.416000
  1 1 1     -15   10   20 o    4.883000      0.6298000       3.904000 0.9492000       5.862000      0.8280000      -1.958000       1.260000
  1 1 1     -15   10   21 o    3.996000      0.5182000       4.208000 0.6245000       3.784000      0.8272000      0.4245000       1.036000
  1 1 1     -15   10   22 o    4.812000      0.4868000       5.236000 0.5489000       4.388000      0.8041000      0.8478000      0.9736000
  1 1 1     -15   10   23 o    2.698000      0.6476000       2.977000 0.8677000       2.419000      0.9617000      0.5585000       1.295000
  1 1 1     -15   10   24 o    4.698000      0.5039000       5.069000 0.5439000       4.326000      0.8484000      0.7426000       1.008000
  1 1 1     -15   10   25 o    1.983000      0.5978000       1.857000 0.8004000       2.110000      0.8882000     -0.2531000       1.196000
  1 1 1     -15   10   26 o    2.040000      0.6164000       1.940000 0.8205000       2.140000      0.9201000     -0.2009000       1.233000
  1 1 1     -15   10   27 o    5.619000      0.4339000       5.134000 0.5990000       6.104000      0.6278000     -0.9703000      0.8677000
  1 1 1     -15   10   28 o    2.374000      0.6282000       2.551000 0.8756000       2.197000      0.9010000      0.3536000       1.256000
  1 1 1     -15   10   29 o    5.417000      0.4405000       5.857000 0.5785000       4.976000      0.6645000      0.8817000      0.8811000
  1 1 1     -15   11    1 o    5.240000      0.2686000       5.243000 0.3679000       5.238000      0.3914000      0.5111000E-02  0.5371000
  1 1 1     -15   11    2 o    5.943000      0.2545000       6.077000 0.3421000       5.808000      0.3769000      0.2697000      0.5090000
  1 1 1     -15   11    3 o    4.388000      0.3211000       4.260000 0.4579000       4.517000      0.4502000     -0.2572000      0.6422000
  1 1 1     -15   11    4 o    10.87000      0.2290000       10.87000 0.3255000       10.87000      0.3221000      0.6857000E-03  0.4580000
  1 1 1     -15   11    5 o    8.290000      0.2368000       8.652000 0.3342000       7.929000      0.3355000      0.7228000      0.4736000
  1 1 1     -15   11    6 o    12.22000      0.2397000       12.19000 0.3395000       12.26000      0.3383000     -0.6822000E-01  0.4793000
  1 1 1     -15   11    7 o    3.934000      0.3969000       4.347000 0.4812000       3.520000      0.6313000      0.8271000      0.7938000
  1 1 1     -15   11    8 o    14.28000      0.2572000       14.10000 0.3649000       14.46000      0.3627000     -0.3609000      0.5145000
  1 1 1     -15   11    9 o    4.659000      0.3475000       4.693000 0.4701000       4.624000      0.5119000      0.6889000E-01  0.6951000
  1 1 1     -15   11   10 o    2.505000      0.5630000       2.264000 0.7916000       2.747000      0.8007000     -0.4834000       1.126000
  1 1 1     -15   11   11 o    5.301000      0.3384000       5.851000 0.4447000       4.751000      0.5103000       1.100000      0.6768000
  1 1 1     -15   11   12 o    9.616000      0.2618000       9.668000 0.3731000       9.564000      0.3675000      0.1038000      0.5237000
  1 1 1     -15   11   13 o    9.143000      0.2704000       9.051000 0.3847000       9.235000      0.3801000     -0.1838000      0.5408000
  1 1 1     -15   11   14 o    4.371000      0.5419000       4.841000 0.5509000       3.901000      0.9334000      0.9407000       1.084000
  1 1 1     -15   11   15 o    3.878000      0.6052000       5.047000 0.6273000       2.708000       1.035000       2.339000       1.210000
  1 1 1     -15   11   16 o    1.720000      0.5343000       1.785000 0.7672000       1.655000      0.7440000      0.1301000       1.069000
  1 1 1     -15   11   17 o    15.00000      0.2949000       14.84000 0.4148000       15.17000      0.4194000     -0.3270000      0.5899000
  1 1 1     -15   11   18 o    10.00000      0.4550000       10.57000 0.7014000       9.436000      0.5799000       1.138000      0.9101000
  1 1 1     -15   11   19 o    2.785000      0.6060000       2.561000 0.8020000       3.010000      0.9087000     -0.4492000       1.212000
  1 1 1     -15   11   20 o    8.098000      0.3098000       8.026000 0.3948000       8.170000      0.4776000     -0.1442000      0.6196000
  1 1 1     -15   11   21 o    5.453000      0.4498000       6.061000 0.4939000       4.845000      0.7520000       1.216000      0.8997000
  1 1 1     -15   11   22 o    2.032000      0.6092000       1.968000 0.8146000       2.097000      0.9062000     -0.1287000       1.218000
  1 1 1     -15   11   23 o    5.275000      0.4487000       5.519000 0.4986000       5.031000      0.7461000      0.4880000      0.8973000
  1 1 1     -15   11   24 o    2.178000      0.6113000       2.430000 0.8718000       1.925000      0.8571000      0.5046000       1.223000
  1 1 1     -15   11   25 o    4.574000      0.5492000       4.689000 0.6830000       4.459000      0.8601000      0.2302000       1.098000
  1 1 1     -15   11   26 o    2.929000      0.6365000       2.427000 0.8675000       3.431000      0.9316000      -1.004000       1.273000
  1 1 1     -15   11   27 o    2.754000      0.6481000       2.401000 0.8683000       3.107000      0.9623000     -0.7064000       1.296000
  1 1 1     -15   11   28 o    1.879000      0.5806000       1.589000 0.7374000       2.168000      0.8971000     -0.5790000       1.161000
  1 1 1     -15   12    1 o    8.619000      0.2198000       8.466000 0.3162000       8.773000      0.3053000     -0.3064000      0.4396000
  1 1 1     -15   12    2 o    5.954000      0.3601000                  ?       ?   5.954000      0.3601000                  ?              ?
  1 1 1     -15   12    3 o    6.224000      0.2544000       6.079000 0.3678000       6.368000      0.3516000     -0.2886000      0.5088000
  1 1 1     -15   12    4 o    9.567000      0.2323000       9.568000 0.3326000       9.566000      0.3246000      0.1723000E-02  0.4647000
  1 1 1     -15   12    5 o    10.17000      0.2658000       10.72000 0.4170000       9.618000      0.3298000       1.102000      0.5316000
  1 1 1     -15   12    6 o    8.066000      0.2471000       8.253000 0.3484000       7.879000      0.3504000      0.3743000      0.4941000
  1 1 1     -15   12    7 o    6.797000      0.2622000       6.680000 0.3639000       6.915000      0.3775000     -0.2347000      0.5244000
  1 1 1     -15   12    8 o    8.726000      0.2507000       9.021000 0.3545000       8.431000      0.3546000      0.5893000      0.5014000
  1 1 1     -15   12    9 o    6.155000      0.2902000       6.223000 0.4171000       6.087000      0.4037000      0.1360000      0.5804000
  1 1 1     -15   12   10 o    5.923000      0.3036000       5.985000 0.4274000       5.860000      0.4314000      0.1259000      0.6072000
  1 1 1     -15   12   11 o    2.303000      0.5684000       2.164000 0.7886000       2.443000      0.8187000     -0.2791000       1.137000
  1 1 1     -15   12   12 o    5.261000      0.3640000       5.595000 0.4863000       4.927000      0.5417000      0.6676000      0.7280000
  1 1 1     -15   12   13 f    9.995000      0.3504000       10.17000 0.4551000       9.822000      0.5329000      0.3460000      0.7008000
  1 1 1     -15   12   14 o    7.606000      0.3222000       7.661000 0.4826000       7.551000      0.4271000      0.1093000      0.6444000
  1 1 1     -15   12   15 o    7.745000      0.3140000       8.166000 0.4215000       7.325000      0.4656000      0.8417000      0.6280000
  1 1 1     -15   12   16 o    10.62000      0.4503000       10.78000 0.7115000       10.45000      0.5522000      0.3343000      0.9007000
  1 1 1     -15   12   17 o    10.75000      0.4879000       10.08000 0.7850000       11.43000      0.5795000      -1.348000      0.9758000
  1 1 1     -15   12   18 o    3.339000      0.5949000       3.672000 0.7896000       3.005000      0.8899000      0.6666000       1.190000
  1 1 1     -15   12   19 o    3.580000      0.5910000       4.390000 0.6934000       2.770000      0.9573000       1.619000       1.182000
  1 1 1     -15   12   20 o    8.398000      0.3396000       8.824000 0.4537000       7.971000      0.5054000      0.8532000      0.6791000
  1 1 1     -15   12   21 o    11.13000      0.2962000       11.78000 0.3814000       10.49000      0.4534000       1.288000      0.5924000
  1 1 1     -15   12   22 o    4.075000      0.5613000       4.289000 0.6427000       3.861000      0.9203000      0.4283000       1.123000
  1 1 1     -15   12   23 o    4.506000      0.5191000       4.313000 0.6897000       4.699000      0.7760000     -0.3860000       1.038000
  1 1 1     -15   12   24 o    3.289000      0.6550000       3.373000 0.8686000       3.204000      0.9806000      0.1688000       1.310000
  1 1 1     -15   12   25 o    3.312000      0.6204000       3.305000 0.8108000       3.319000      0.9392000     -0.1482000E-01   1.241000
  1 1 1     -15   12   26 o    1.916000      0.5861000       2.043000 0.8465000       1.790000      0.8109000      0.2529000       1.172000
  1 1 1     -15   12   27 o    2.065000      0.5928000       2.427000 0.8813000       1.703000      0.7931000      0.7236000       1.186000
  1 1 1     -15   12   28 o    4.714000      0.6304000       4.291000 1.070000       5.136000      0.6672000     -0.8452000       1.261000
  1 1 1     -15   13    1 o    9.266000      0.2237000       9.281000 0.3199000       9.252000      0.3129000      0.2850000E-01  0.4475000
  1 1 1     -15   13    2 o    2.823000      0.6721000                  ?       ?   2.823000      0.6721000                  ?              ?
  1 1 1     -15   13    3 o    1.815000      0.4857000       1.901000 0.6865000       1.729000      0.6872000      0.1722000      0.9713000
  1 1 1     -15   13    4 o    6.272000      0.2608000       6.568000 0.3595000       5.976000      0.3778000      0.5919000      0.5215000
  1 1 1     -15   13    5 o    2.347000      0.5008000       2.470000 0.6788000       2.224000      0.7366000      0.2463000       1.002000
  1 1 1     -15   13    6 f    7.781000      0.2508000       7.353000 0.3533000       8.209000      0.3559000     -0.8554000      0.5015000
  1 1 1     -15   13    7 o    10.45000      0.2440000       10.07000 0.3494000       10.84000      0.3406000     -0.7698000      0.4879000
  1 1 1     -15   13    8 o    4.559000      0.3622000       4.431000 0.5258000       4.686000      0.4982000     -0.2554000      0.7244000
  1 1 1     -15   13    9 o    8.955000      0.2601000       8.741000 0.3710000       9.168000      0.3647000     -0.4272000      0.5203000
  1 1 1     -15   13   10 o    3.738000      0.4710000       3.886000 0.6470000       3.590000      0.6847000      0.2960000      0.9421000
  1 1 1     -15   13   11 o    13.90000      0.3573000       13.93000 0.4849000       13.87000      0.5248000      0.6260000E-01  0.7145000
  1 1 1     -15   13   12 o    9.969000      0.3443000       10.17000 0.4459000       9.764000      0.5247000      0.4091000      0.6886000
  1 1 1     -15   13   13 o    2.691000      0.5994000       2.606000 0.8563000       2.776000      0.8389000     -0.1698000       1.199000
  1 1 1     -15   13   14 o    2.323000      0.6061000       2.465000 0.8574000       2.182000      0.8569000      0.2830000       1.212000
  1 1 1     -15   13   15 o    5.647000      0.7123000       5.010000 1.247000       6.284000      0.6897000      -1.274000       1.425000
  1 1 1     -15   13   16 o    9.520000      0.2990000       9.515000 0.4188000       9.525000      0.4267000     -0.1001000E-01  0.5979000
  1 1 1     -15   13   17 o    3.011000      0.6030000       2.445000 0.8800000       3.577000      0.8248000      -1.132000       1.206000
  1 1 1     -15   13   18 o    4.000000      0.5778000       3.920000 0.7763000       4.080000      0.8561000     -0.1596000       1.156000
  1 1 1     -15   13   19 o    2.938000      0.6283000       3.450000 0.8502000       2.425000      0.9253000       1.025000       1.257000
  1 1 1     -15   13   20 o    2.933000      0.6738000       2.479000 0.9311000       3.387000      0.9743000     -0.9080000       1.348000
  1 1 1     -15   13   21 o    3.961000      0.5925000       3.964000 0.8286000       3.959000      0.8471000      0.5018000E-02   1.185000
  1 1 1     -15   13   22 o    7.065000      0.3786000       6.925000 0.5538000       7.205000      0.5162000     -0.2801000      0.7571000
  1 1 1     -15   13   23 o    2.642000      0.6452000       2.120000 0.8325000       3.164000      0.9861000      -1.045000       1.290000
  1 1 1     -15   13   24 o    1.717000      0.5503000       1.694000 0.7611000       1.740000      0.7951000     -0.4511000E-01   1.101000
  1 1 1     -15   13   25 o    2.701000      0.6583000       2.758000 0.9036000       2.644000      0.9575000      0.1142000       1.317000
  1 1 1     -15   13   26 o    1.926000      0.5919000       1.824000 0.8057000       2.028000      0.8674000     -0.2039000       1.184000
  1 1 1     -15   13   27 o    2.598000      0.6400000       2.531000 0.8772000       2.665000      0.9322000     -0.1335000       1.280000
  1 1 1     -15   14    1 o    1.527000      0.4603000       1.768000 0.7037000       1.286000      0.5935000      0.4823000      0.9206000
  1 1 1     -15   14    2 o    3.722000      0.4014000       3.016000 0.6629000       4.428000      0.4530000      -1.412000      0.8029000
  1 1 1     -15   14    3 o    7.575000      0.2475000       7.692000 0.3544000       7.458000      0.3456000      0.2336000      0.4950000
  1 1 1     -15   14    4 o    14.87000      0.2589000       14.65000 0.3691000       15.10000      0.3632000     -0.4557000      0.5178000
  1 1 1     -15   14    5 o    11.10000      0.2425000       11.15000 0.3493000       11.04000      0.3363000      0.1066000      0.4849000
  1 1 1     -15   14    6 o    11.87000      0.2459000       11.52000 0.3485000       12.22000      0.3469000     -0.7046000      0.4917000
  1 1 1     -15   14    7 o    13.12000      0.2540000       13.06000 0.3647000       13.19000      0.3537000     -0.1294000      0.5080000
  1 1 1     -15   14    8 o    7.120000      0.2774000       7.318000 0.3777000       6.923000      0.4064000      0.3954000      0.5548000
  1 1 1     -15   14    9 o    10.80000      0.3370000       11.27000 0.4466000       10.32000      0.5048000      0.9518000      0.6740000
  1 1 1     -15   14   10 o    2.717000      0.6329000       2.258000 0.8117000       3.175000      0.9715000     -0.9167000       1.266000
  1 1 1     -15   14   11 o    11.23000      0.2664000       10.90000 0.3772000       11.56000      0.3762000     -0.6566000      0.5327000
  1 1 1     -15   14   12 o    3.731000      0.4879000       3.091000 0.7801000       4.371000      0.5860000      -1.280000      0.9757000
  1 1 1     -15   14   13 o    6.574000      0.6037000       6.209000 1.006000       6.939000      0.6682000     -0.7296000       1.207000
  1 1 1     -15   14   14 o    2.867000      0.7850000       3.325000 1.247000       2.409000      0.9535000      0.9160000       1.570000
  1 1 1     -15   14   15 o    2.066000      0.5750000       2.438000 0.8629000       1.694000      0.7601000      0.7443000       1.150000
  1 1 1     -15   14   16 o    5.218000      0.4304000       5.738000 0.5525000       4.698000      0.6602000       1.040000      0.8608000
  1 1 1     -15   14   17 o    6.458000      0.3861000       6.768000 0.5086000       6.149000      0.5811000      0.6184000      0.7722000
  1 1 1     -15   14   18 o    8.328000      0.3304000       8.721000 0.4581000       7.936000      0.4761000      0.7853000      0.6607000
  1 1 1     -15   14   19 f    7.632000      0.3514000       7.908000 0.4759000       7.356000      0.5171000      0.5525000      0.7028000
  1 1 1     -15   14   20 o    2.347000      0.6091000       1.677000 0.7784000       3.016000      0.9372000      -1.340000       1.218000
  1 1 1     -15   14   21 o    9.138000      0.3281000       9.014000 0.4607000       9.262000      0.4672000     -0.2481000      0.6561000
  1 1 1     -15   14   22 o    5.423000      0.4550000       5.129000 0.6748000       5.718000      0.6106000     -0.5885000      0.9100000
  1 1 1     -15   14   23 o    2.186000      0.5972000       2.761000 0.9246000       1.611000      0.7561000       1.150000       1.194000
  1 1 1     -15   14   24 o    3.567000      0.6405000       4.916000 0.8815000       2.217000      0.9295000       2.700000       1.281000
  1 1 1     -15   14   25 o    2.419000      0.6227000       2.755000 0.8833000       2.084000      0.8778000      0.6709000       1.245000
  1 1 1     -15   14   26 f    2.025000      0.6108000       1.947000 0.8410000       2.102000      0.8862000     -0.1555000       1.222000
  1 1 1     -15   15    1 o    6.023000      0.2801000       6.187000 0.3970000       5.859000      0.3953000      0.3283000      0.5602000
  1 1 1     -15   15    2 o    7.109000      0.2537000       7.202000 0.3633000       7.016000      0.3543000      0.1856000      0.5074000
  1 1 1     -15   15    3 o    1.856000      0.5033000       1.496000 0.6573000       2.215000      0.7623000     -0.7188000       1.007000
  1 1 1     -15   15    4 o    10.30000      0.2401000       10.26000 0.3456000       10.34000      0.3334000     -0.8322000E-01  0.4802000
  1 1 1     -15   15    5 o    7.879000      0.2569000       8.106000 0.3623000       7.652000      0.3645000      0.4539000      0.5139000
  1 1 1     -15   15    6 o    8.018000      0.2588000       8.436000 0.3625000       7.599000      0.3694000      0.8372000      0.5176000
  1 1 1     -15   15    7 o    6.341000      0.3725000       6.504000 0.4720000       6.178000      0.5763000      0.3264000      0.7450000
  1 1 1     -15   15    8 o    3.533000      0.5584000       3.136000 0.7472000       3.931000      0.8301000     -0.7953000       1.117000
  1 1 1     -15   15    9 o    4.268000      0.4144000       4.461000 0.5597000       4.076000      0.6114000      0.3847000      0.8289000
  1 1 1     -15   15   10 o    5.815000      0.3413000       6.007000 0.4705000       5.622000      0.4945000      0.3843000      0.6826000
  1 1 1     -15   15   11 o    7.595000      0.5278000       6.901000 0.8949000       8.288000      0.5599000      -1.388000       1.056000
  1 1 1     -15   15   12 o    5.911000      0.6404000       5.656000 1.075000       6.167000      0.6958000     -0.5104000       1.281000
  1 1 1     -15   15   13 o    3.163000      0.6234000       2.291000 0.8222000       4.036000      0.9373000      -1.746000       1.247000
  1 1 1     -15   15   14 o    4.125000      0.4946000       3.843000 0.7402000       4.408000      0.6562000     -0.5642000      0.9892000
  1 1 1     -15   15   15 o    8.387000      0.3139000       8.378000 0.4472000       8.397000      0.4405000     -0.1871000E-01  0.6278000
  1 1 1     -15   15   16 o    9.667000      0.2959000       9.900000 0.4263000       9.434000      0.4105000      0.4654000      0.5918000
  1 1 1     -15   15   17 o    2.727000      0.6347000       2.380000 0.8977000       3.073000      0.8975000     -0.6925000       1.269000
  1 1 1     -15   15   18 o    3.287000      0.5985000       2.590000 0.9170000       3.983000      0.7694000      -1.393000       1.197000
  1 1 1     -15   15   19 o    2.197000      0.6284000       2.109000 0.8816000       2.284000      0.8956000     -0.1748000       1.257000
  1 1 1     -15   15   20 o    2.215000      0.6351000       2.254000 0.9160000       2.175000      0.8800000      0.7944000E-01   1.270000
  1 1 1     -15   15   21 o    2.672000      0.6358000       2.001000 0.8568000       3.342000      0.9396000      -1.341000       1.272000
  1 1 1     -15   15   22 o    2.119000      0.6243000       1.812000 0.8120000       2.426000      0.9486000     -0.6139000       1.249000
  1 1 1     -15   15   23 o    2.187000      0.6216000       2.275000 0.8755000       2.100000      0.8825000      0.1752000       1.243000
  1 1 1     -15   15   24 o    3.005000      0.6035000       4.059000 0.8483000       1.951000      0.8587000       2.108000       1.207000
  1 1 1     -15   15   25 o    2.226000      0.6337000       2.414000 0.9129000       2.037000      0.8790000      0.3775000       1.267000
  1 1 1     -15   16    1 o    4.516000      0.5398000       4.516000 0.5398000                  ?              ?              ?              ?
  1 1 1     -15   16    2 o    2.683000      0.5164000       2.365000 0.7719000       3.001000      0.6862000     -0.6363000       1.033000
  1 1 1     -15   16    3 o    1.415000      0.6479000                  ?       ?   1.415000      0.6479000                  ?              ?
  1 1 1     -15   16    4 o    1.821000      0.5089000       1.433000 0.6587000       2.209000      0.7760000     -0.7762000       1.018000
  1 1 1     -15   16    5 o    5.991000      0.3714000       5.901000 0.4877000       6.082000      0.5603000     -0.1806000      0.7428000
  1 1 1     -15   16    6 o    3.591000      0.5840000       3.573000 0.7709000       3.609000      0.8775000     -0.3641000E-01   1.168000
  1 1 1     -15   16    7 o    4.132000      0.4267000       4.190000 0.5840000       4.073000      0.6222000      0.1179000      0.8533000
  1 1 1     -15   16    8 o    2.149000      0.5489000       1.974000 0.7623000       2.324000      0.7899000     -0.3508000       1.098000
  1 1 1     -15   16    9 o    4.721000      0.6963000       4.454000 1.181000       4.989000      0.7381000     -0.5351000       1.393000
  1 1 1     -15   16   10 o    2.256000      0.7073000       2.456000 1.086000       2.057000      0.9067000      0.3995000       1.415000
  1 1 1     -15   16   11 o    2.919000      0.5753000       2.720000 0.8309000       3.118000      0.7959000     -0.3978000       1.151000
  1 1 1     -15   16   12 o    5.720000      0.3711000       6.160000 0.4716000       5.281000      0.5731000      0.8788000      0.7422000
  1 1 1     -15   16   13 f    3.252000      0.5348000       4.299000 0.6382000       2.204000      0.8582000       2.095000       1.070000
  1 1 1     -15   16   14 o    5.002000      0.4411000       4.556000 0.6482000       5.447000      0.5984000     -0.8909000      0.8822000
  1 1 1     -15   16   15 o    6.504000      0.3586000       6.557000 0.5170000       6.451000      0.4972000      0.1058000      0.7173000
  1 1 1     -15   16   16 o    2.608000      0.6390000       2.884000 0.9108000       2.333000      0.8966000      0.5507000       1.278000
  1 1 1     -15   16   17 o    3.361000      0.6214000       3.589000 0.8383000       3.132000      0.9174000      0.4568000       1.243000
  1 1 1     -15   16   18 o    3.648000      0.5909000       3.926000 0.7663000       3.371000      0.8997000      0.5544000       1.182000
  1 1 1     -15   16   19 o    2.576000      0.6259000       3.187000 0.9312000       1.964000      0.8367000       1.223000       1.252000
  1 1 1     -15   16   20 o    2.058000      0.5843000       2.688000 0.9380000       1.427000      0.6970000       1.261000       1.169000
  1 1 1     -15   16   21 o    3.938000      0.5855000       5.140000 0.6737000       2.737000      0.9579000       2.403000       1.171000
  1 1 1     -15   16   22 o    3.245000      0.6618000       3.205000 0.9028000       3.285000      0.9680000     -0.7981000E-01   1.324000
  1 1 1     -15   16   23 o    3.901000      0.6220000       4.255000 0.7963000       3.546000      0.9558000      0.7090000       1.244000
  1 1 1     -15   16   24 o    2.940000      0.7942000       2.353000 1.045000       3.528000       1.196000      -1.175000       1.588000
  1 1 1     -15   17    1 f    2.076000      0.8089000       2.076000 0.8089000                  ?              ?              ?              ?
  1 1 1     -15   17    2 o    4.951000      0.3374000       5.571000 0.4952000       4.331000      0.4586000       1.239000      0.6749000
  1 1 1     -15   17    3 o    5.322000      0.3936000       4.668000 0.5290000       5.976000      0.5831000      -1.308000      0.7873000
  1 1 1     -15   17    4 o    11.50000      0.3236000       11.77000 0.4438000       11.22000      0.4710000      0.5490000      0.6471000
  1 1 1     -15   17    5 o    9.713000      0.2592000       9.950000 0.3769000       9.476000      0.3560000      0.4733000      0.5184000
  1 1 1     -15   17    6 o    12.77000      0.2604000       12.66000 0.3768000       12.88000      0.3596000     -0.2230000      0.5209000
  1 1 1     -15   17    7 o    6.485000      0.6121000       5.600000 1.052000       7.369000      0.6260000      -1.769000       1.224000
  1 1 1     -15   17    8 f    5.877000      0.6095000       5.941000 1.029000       5.813000      0.6530000      0.1282000       1.219000
  1 1 1     -15   17    9 o    3.197000      0.5532000       2.793000 0.8230000       3.601000      0.7394000     -0.8080000       1.106000
  1 1 1     -15   17   10 o    1.811000      0.5459000       1.862000 0.7729000       1.760000      0.7713000      0.1023000       1.092000
  1 1 1     -15   17   11 o    2.005000      0.5665000       2.367000 0.8542000       1.643000      0.7442000      0.7239000       1.133000
  1 1 1     -15   17   12 o    4.267000      0.4957000       3.927000 0.7366000       4.607000      0.6635000     -0.6794000      0.9914000
  1 1 1     -15   17   13 o    2.016000      0.5833000       2.216000 0.8518000       1.816000      0.7970000      0.3997000       1.167000
  1 1 1     -15   17   14 o    3.931000      0.5742000       4.492000 0.7038000       3.370000      0.9076000       1.122000       1.148000
  1 1 1     -15   17   15 o    3.690000      0.5750000       4.738000 0.6877000       2.642000      0.9218000       2.095000       1.150000
  1 1 1     -15   17   16 o    5.158000      0.4567000       5.258000 0.6173000       5.059000      0.6731000      0.1990000      0.9134000
  1 1 1     -15   17   17 f    5.911000      0.4100000       6.131000 0.5625000       5.692000      0.5966000      0.4395000      0.8199000
  1 1 1     -15   17   18 f    4.228000      0.5815000       5.416000 0.6205000       3.039000      0.9837000       2.377000       1.163000
  1 1 1     -15   17   19 o    3.164000      0.6155000       3.936000 0.8190000       2.392000      0.9190000       1.544000       1.231000
  1 1 1     -15   17   20 o    2.853000      0.6720000       2.313000 0.9076000       3.392000      0.9912000      -1.080000       1.344000
  1 1 1     -15   17   21 o    2.091000      0.6118000       2.591000 0.9645000       1.592000      0.7531000      0.9994000       1.224000
  1 1 1     -15   17   22 o    3.002000      0.6835000       3.321000 0.9521000       2.682000      0.9810000      0.6391000       1.367000
  1 1 1     -15   18    1 o    7.417000      0.3723000       7.066000 0.5256000       7.767000      0.5275000     -0.7003000      0.7446000
  1 1 1     -15   18    2 f    4.266000      0.4575000       3.778000 0.7282000       4.754000      0.5541000     -0.9754000      0.9150000
  1 1 1     -15   18    3 o    10.13000      0.2677000       9.729000 0.4001000       10.52000      0.3556000     -0.7954000      0.5353000
  1 1 1     -15   18    4 o    7.888000      0.4931000       7.407000 0.8318000       8.369000      0.5300000     -0.9616000      0.9863000
  1 1 1     -15   18    5 o    4.628000      0.7428000       4.294000 1.240000       4.962000      0.8184000     -0.6673000       1.486000
  1 1 1     -15   18    6 o    7.597000      0.2812000       7.714000 0.4133000       7.479000      0.3816000      0.2352000      0.5625000
  1 1 1     -15   18    7 o    5.335000      0.3657000       5.297000 0.5307000       5.374000      0.5034000     -0.7719000E-01  0.7315000
  1 1 1     -15   18    8 o    8.723000      0.2864000       8.974000 0.4086000       8.471000      0.4015000      0.5024000      0.5728000
  1 1 1     -15   18    9 o    3.114000      0.5768000       2.637000 0.8576000       3.590000      0.7715000     -0.9527000       1.154000
  1 1 1     -15   18   10 o    4.403000      0.5045000       5.207000 0.6068000       3.599000      0.8063000       1.607000       1.009000
  1 1 1     -15   18   11 o    4.673000      0.4622000       4.797000 0.6317000       4.549000      0.6748000      0.2476000      0.9243000
  1 1 1     -15   18   12 o    7.025000      0.3442000       7.354000 0.4671000       6.696000      0.5058000      0.6581000      0.6885000
  1 1 1     -15   18   13 o    3.412000      0.6238000       3.768000 0.8588000       3.057000      0.9050000      0.7104000       1.248000
  1 1 1     -15   18   14 o    3.722000      0.5845000       3.172000 0.8919000       4.272000      0.7557000      -1.099000       1.169000
  1 1 1     -15   18   15 o    2.366000      0.6189000       2.830000 0.9220000       1.901000      0.8259000      0.9291000       1.238000
  1 1 1     -15   18   16 o    2.433000      0.6381000       2.744000 0.9267000       2.121000      0.8775000      0.6231000       1.276000
  1 1 1     -15   18   17 o    2.998000      0.6513000       2.746000 0.9392000       3.250000      0.9027000     -0.5044000       1.303000
  1 1 1     -15   18   18 f    3.085000      0.6810000       3.034000 0.9539000       3.136000      0.9721000     -0.1018000       1.362000
  1 1 1     -15   18   19 o    3.085000      0.6730000       3.214000 0.9373000       2.956000      0.9661000      0.2582000       1.346000
  1 1 1     -15   18   20 o    2.900000      0.6065000       1.841000 0.8210000       3.959000      0.8930000      -2.118000       1.213000
  1 1 1     -15   18   21 o    2.406000      0.6178000       1.674000 0.7743000       3.139000      0.9630000      -1.465000       1.236000
  1 1 1     -15   19    1 o    7.251000      0.3162000       7.666000 0.4446000       6.837000      0.4497000      0.8286000      0.6324000
  1 1 1     -15   19    2 o    7.318000      0.5139000       6.764000 0.8623000       7.872000      0.5591000      -1.108000       1.028000
  1 1 1     -15   19    3 o    3.078000      0.7922000       3.480000 1.229000       2.676000       1.000000      0.8037000       1.584000
  1 1 1     -15   19    4 o    2.014000      0.5818000       1.916000 0.8066000       2.113000      0.8387000     -0.1971000       1.164000
  1 1 1     -15   19    5 o    4.555000      0.4689000       4.596000 0.7165000       4.514000      0.6049000      0.8151000E-01  0.9377000
  1 1 1     -15   19    6 o    6.553000      0.3486000       6.920000 0.4982000       6.185000      0.4877000      0.7351000      0.6972000
  1 1 1     -15   19    7 o    10.92000      0.2810000       11.22000 0.4132000       10.63000      0.3808000      0.5928000      0.5619000
  1 1 1     -15   19    8 o    6.486000      0.3435000       6.747000 0.4921000       6.224000      0.4793000      0.5229000      0.6869000
  1 1 1     -15   19    9 o    3.677000      0.5861000       3.744000 0.8596000       3.609000      0.7969000      0.1351000       1.172000
  1 1 1     -15   19   10 o    2.995000      0.6119000       2.495000 0.9102000       3.494000      0.8181000     -0.9991000       1.224000
  1 1 1     -15   19   11 o    4.620000      0.5063000       5.041000 0.6126000       4.199000      0.8064000      0.8419000       1.013000
  1 1 1     -15   19   12 o    3.467000      0.5843000       4.435000 0.7380000       2.498000      0.9060000       1.937000       1.169000
  1 1 1     -15   19   13 o    1.736000      0.5599000       1.739000 0.7884000       1.734000      0.7952000      0.5284000E-02   1.120000
  1 1 1     -15   19   14 o    2.529000      0.6411000       2.284000 0.8958000       2.773000      0.9174000     -0.4883000       1.282000
  1 1 1     -15   19   15 o    2.655000      0.6708000       2.375000 0.9286000       2.936000      0.9684000     -0.5616000       1.342000
  1 1 1     -15   19   16 o    2.565000      0.6585000       3.024000 0.9774000       2.106000      0.8828000      0.9176000       1.317000
  1 1 1     -15   19   17 o    4.155000      0.6223000       3.696000 0.9556000       4.614000      0.7975000     -0.9178000       1.245000
  1 1 1     -15   19   18 o    2.937000      0.6567000       2.263000 0.9277000       3.611000      0.9296000      -1.348000       1.313000
  1 1 1     -15   19   19 o    2.194000      0.6453000       2.310000 0.9272000       2.078000      0.8978000      0.2317000       1.291000
  1 1 1     -15   20    1 o    3.630000      0.6327000       3.405000 0.9898000       3.855000      0.7885000     -0.4503000       1.265000
  1 1 1     -15   20    2 o    6.115000      0.5778000       6.115000 0.5778000                  ?              ?              ?              ?
  1 1 1     -15   20    3 o    2.117000      0.6107000       2.373000 0.9328000       1.862000      0.7886000      0.5117000       1.221000
  1 1 1     -15   20    4 o    4.856000      0.5932000                  ?       ?   4.856000      0.5932000                  ?              ?
  1 1 1     -15   20    5 o    2.130000      0.6115000       2.590000 0.9640000       1.669000      0.7527000      0.9210000       1.223000
  1 1 1     -15   20    6 o    4.663000      0.4998000       4.167000 0.8061000       5.159000      0.5911000     -0.9920000      0.9996000
  1 1 1     -15   20    7 o    4.778000      0.4676000       4.269000 0.7335000       5.286000      0.5801000      -1.018000      0.9351000
  1 1 1     -15   20    8 o    3.326000      0.6054000       3.025000 0.9010000       3.627000      0.8088000     -0.6016000       1.211000
  1 1 1     -15   20    9 o    2.531000      0.6264000       2.640000 0.8867000       2.422000      0.8852000      0.2184000       1.253000
  1 1 1     -15   20   10 o    3.109000      0.6470000       3.334000 0.9018000       2.884000      0.9279000      0.4503000       1.294000
  1 1 1     -15   20   11 o    2.025000      0.6105000       2.011000 0.8621000       2.039000      0.8647000     -0.2820000E-01   1.221000
  1 1 1     -15   20   12 o    3.256000      0.6542000       3.625000 0.8940000       2.886000      0.9553000      0.7389000       1.308000
  1 1 1     -15   20   13 o    2.679000      0.6241000       3.535000 0.9464000       1.822000      0.8139000       1.713000       1.248000
  1 1 1     -15   20   14 o    3.576000      0.6449000       4.372000 0.8347000       2.781000      0.9834000       1.591000       1.290000
  1 1 1     -15   20   15 o    4.514000      0.5469000       4.293000 0.8216000       4.734000      0.7221000     -0.4406000       1.094000
  1 1 1     -15   20   16 f    2.002000      0.6133000       1.856000 0.8331000       2.148000      0.9003000     -0.2920000       1.227000
  1 1 1     -15   20   17 o    4.504000      0.5607000       3.918000 0.8591000       5.090000      0.7208000      -1.171000       1.121000
  1 1 1     -15   21    1 o    5.122000      0.4832000       5.728000 0.6619000       4.516000      0.7042000       1.212000      0.9664000
  1 1 1     -15   21    2 o    5.801000      0.4144000       5.926000 0.6873000       5.676000      0.4631000      0.2506000      0.8287000
  1 1 1     -15   21    3 f    2.408000      0.6536000       2.242000 0.9335000       2.574000      0.9151000     -0.3319000       1.307000
  1 1 1     -15   21    4 o    1.910000      0.5974000       2.333000 0.9642000       1.486000      0.7056000      0.8470000       1.195000
  1 1 1     -15   21    5 o    4.410000      0.5528000       3.936000 0.9118000       4.885000      0.6254000     -0.9493000       1.106000
  1 1 1     -15   21    6 o    3.373000      0.6474000       3.291000 0.9611000       3.455000      0.8678000     -0.1643000       1.295000
  1 1 1     -15   21    7 o    2.006000      0.6146000       2.159000 0.9156000       1.853000      0.8201000      0.3061000       1.229000
  1 1 1     -15   21    8 o    2.315000      0.6492000       2.296000 0.9244000       2.335000      0.9117000     -0.3887000E-01   1.298000
  1 1 1     -15   21    9 o    2.025000      0.6094000       2.306000 0.9232000       1.744000      0.7958000      0.5616000       1.219000
  1 1 1     -15   21   10 o    2.659000      0.6548000       2.587000 0.9263000       2.731000      0.9257000     -0.1444000       1.310000
  1 1 1     -15   21   11 o    4.030000      0.6131000       4.273000 0.8570000       3.786000      0.8770000      0.4864000       1.226000
  1 1 1     -15   21   12 o    3.372000      0.6684000       3.549000 0.9500000       3.195000      0.9405000      0.3535000       1.337000
  1 1 1     -15   21   13 o    6.921000      0.3863000       7.307000 0.5252000       6.535000      0.5666000      0.7725000      0.7725000
  1 1 1     -15   21   14 o    4.507000      0.5696000       4.971000 0.7379000       4.043000      0.8679000      0.9282000       1.139000
  1 1 1     -15   21   15 o    2.336000      0.6718000       2.538000 0.9820000       2.134000      0.9169000      0.4032000       1.344000
  1 1 1     -15   22    1 o    6.780000      0.4172000       6.534000 0.6318000       7.026000      0.5450000     -0.4915000      0.8344000
  1 1 1     -15   22    2 o    3.511000      0.6058000       5.045000 0.8527000       1.977000      0.8608000       3.068000       1.212000
  1 1 1     -15   22    3 o    2.500000      0.6950000       2.851000 1.063000       2.149000      0.8953000      0.7023000       1.390000
  1 1 1     -15   22    4 f    2.368000      0.6736000       2.161000 0.9512000       2.575000      0.9539000     -0.4135000       1.347000
  1 1 1     -15   22    5 o    3.059000      0.6726000       2.642000 0.9998000       3.475000      0.9001000     -0.8330000       1.345000
  1 1 1     -15   22    6 o    3.546000      0.6755000       4.284000 0.9289000       2.808000      0.9809000       1.476000       1.351000
  1 1 1     -15   22    7 o    2.322000      0.6635000       2.040000 0.9077000       2.603000      0.9679000     -0.5629000       1.327000
  1 1 1     -15   22    8 o    1.930000      0.6136000       1.816000 0.8415000       2.044000      0.8932000     -0.2285000       1.227000
  1 1 1     -15   22    9 o    3.395000      0.6848000       2.961000 1.033000       3.829000      0.8994000     -0.8681000       1.370000
  1 1 1     -15   22   10 o    3.641000      0.6909000       3.665000 1.001000       3.617000      0.9521000      0.4725000E-01   1.382000
  1 1 1     -15   22   11 o    2.636000      0.6642000       3.203000 0.9963000       2.070000      0.8786000       1.133000       1.328000
  1 1 1     -15   22   12 o    2.399000      0.6707000       1.955000 0.8815000       2.842000       1.011000     -0.8874000       1.341000
  1 1 1     -15   22   13 o    2.269000      0.6459000       1.815000 0.8388000       2.723000      0.9825000     -0.9086000       1.292000
  1 1 1     -15   23    1 o    2.164000      0.6635000       2.105000 0.9355000       2.224000      0.9413000     -0.1189000       1.327000
  1 1 1     -15   23    2 o    3.883000      0.6730000       3.477000 1.041000       4.290000      0.8530000     -0.8126000       1.346000
  1 1 1     -15   23    3 o    3.305000      0.6754000       2.843000 1.080000       3.766000      0.8115000     -0.9224000       1.351000
  1 1 1     -15   23    4 o    3.848000      0.7205000       3.880000 1.079000       3.815000      0.9553000      0.6503000E-01   1.441000
  1 1 1     -15   23    5 o    2.494000      0.6862000       2.525000 0.9834000       2.464000      0.9572000      0.6079000E-01   1.372000
  1 1 1     -15   23    6 o    4.094000      0.6547000       4.553000 0.9297000       3.634000      0.9221000      0.9189000       1.309000
  1 1 1     -15   23    7 o    2.932000      0.7067000       3.170000 1.030000       2.693000      0.9684000      0.4766000       1.413000
  1 1 1     -15   23    8 o    2.195000      0.6591000       2.447000 0.9875000       1.943000      0.8732000      0.5039000       1.318000
  1 1 1     -15   23    9 o    1.830000      0.5924000       1.918000 0.8678000       1.743000      0.8066000      0.1746000       1.185000
  1 1 1     -15   23   10 o    4.715000       1.277000       4.715000 1.277000                  ?              ?              ?              ?
  1 1 1     -15   24    1 o    4.522000      0.6378000       3.731000 1.033000       5.313000      0.7483000      -1.583000       1.276000
  1 1 1     -15   24    2 o    4.789000      0.6367000       4.474000 1.010000       5.104000      0.7748000     -0.6301000       1.273000
  1 1 1     -15   24    3 o    4.216000       1.311000       4.216000 1.311000                  ?              ?              ?              ?
  1 1 1     -15   24    4 o    2.511000       1.136000       2.511000 1.136000                  ?              ?              ?              ?
  1 1 1     -14  -37    1 o    2.762000      0.7425000       2.303000 0.9896000       3.220000       1.107000     -0.9175000       1.485000
  1 1 1     -14  -37    2 o    2.812000      0.7564000       3.105000 1.091000       2.518000       1.048000      0.5869000       1.513000
  1 1 1     -14  -37    3 o    3.434000      0.8387000       2.954000 1.316000       3.914000       1.040000     -0.9600000       1.677000
  1 1 1     -14  -37    4 o    2.579000      0.7301000       2.073000 1.022000       3.084000       1.043000      -1.010000       1.460000
  1 1 1     -14  -36    1 o    2.970000      0.6931000       3.920000 1.046000       2.020000      0.9090000       1.899000       1.386000
  1 1 1     -14  -36    2 o    2.039000      0.6446000       1.945000 0.8904000       2.134000      0.9324000     -0.1890000       1.289000
  1 1 1     -14  -36    3 f    3.240000      0.7413000       3.242000 1.046000       3.239000       1.051000      0.3267000E-02   1.483000
  1 1 1     -14  -36    4 f    2.477000      0.7036000       2.251000 0.9577000       2.703000       1.031000     -0.4521000       1.407000
  1 1 1     -14  -36    5 o    2.851000      0.7440000       3.007000 1.044000       2.696000       1.060000      0.3110000       1.488000
  1 1 1     -14  -36    6 o    2.155000      0.6666000       2.262000 0.9545000       2.049000      0.9307000      0.2134000       1.333000
  1 1 1     -14  -36    7 o    2.738000      0.7350000       2.390000 0.9791000       3.087000       1.096000     -0.6967000       1.470000
  1 1 1     -14  -36    8 o    2.291000      0.6928000       2.388000 0.9841000       2.193000      0.9755000      0.1950000       1.386000
  1 1 1     -14  -36    9 o    2.534000      0.7100000       2.922000 1.044000       2.145000      0.9621000      0.7769000       1.420000
  1 1 1     -14  -35    1 o    2.910000      0.7176000       3.334000 1.043000       2.486000      0.9856000      0.8481000       1.435000
  1 1 1     -14  -35    2 o    2.509000      0.6783000       2.061000 0.9107000       2.958000       1.005000     -0.8975000       1.357000
  1 1 1     -14  -35    3 o    1.979000      0.6074000       2.513000 0.9840000       1.445000      0.7122000       1.068000       1.215000
  1 1 1     -14  -35    4 o    1.959000      0.6271000       2.128000 0.9311000       1.790000      0.8404000      0.3386000       1.254000
  1 1 1     -14  -35    5 o    2.994000      0.6820000       2.074000 0.9266000       3.915000       1.001000      -1.841000       1.364000
  1 1 1     -14  -35    6 o    4.206000      0.6697000       4.309000 0.9346000       4.103000      0.9595000      0.2055000       1.339000
  1 1 1     -14  -35    7 o    3.727000      0.6866000       4.273000 0.9038000       3.180000       1.034000       1.093000       1.373000
  1 1 1     -14  -35    8 o    3.344000      0.7467000       3.064000 1.055000       3.624000       1.057000     -0.5600000       1.493000
  1 1 1     -14  -35    9 o    2.061000      0.6557000       1.973000 0.8977000       2.149000      0.9561000     -0.1757000       1.311000
  1 1 1     -14  -35   10 o    2.925000      0.7176000       3.350000 1.015000       2.500000       1.015000      0.8501000       1.435000
  1 1 1     -14  -35   11 o    1.988000      0.6470000       2.003000 0.9137000       1.974000      0.9163000      0.2944000E-01   1.294000
  1 1 1     -14  -35   12 o    2.434000      0.7133000       2.215000 0.9607000       2.653000       1.055000     -0.4383000       1.427000
  1 1 1     -14  -35   13 o    4.945000       1.395000       4.945000 1.395000                  ?              ?              ?              ?
  1 1 1     -14  -34    1 o    2.402000      0.6709000       2.690000 0.9973000       2.114000      0.8976000      0.5756000       1.342000
  1 1 1     -14  -34    2 o    2.765000      0.7025000       2.930000 1.006000       2.599000      0.9812000      0.3314000       1.405000
  1 1 1     -14  -34    3 o    3.370000      0.6820000       3.040000 1.021000       3.700000      0.9041000     -0.6595000       1.364000
  1 1 1     -14  -34    4 o    3.849000      0.6388000       3.513000 0.9718000       4.186000      0.8294000     -0.6726000       1.278000
  1 1 1     -14  -34    5 o    3.754000      0.6413000       3.066000 0.9857000       4.443000      0.8207000      -1.377000       1.283000
  1 1 1     -14  -34    6 o    1.933000      0.6123000       1.754000 0.8237000       2.113000      0.9060000     -0.3593000       1.225000
  1 1 1     -14  -34    7 o    2.271000      0.6517000       2.613000 0.9805000       1.929000      0.8587000      0.6843000       1.303000
  1 1 1     -14  -34    8 o    2.325000      0.6653000       2.610000 0.9958000       2.039000      0.8826000      0.5719000       1.331000
  1 1 1     -14  -34    9 o    3.257000      0.7168000       3.246000 1.015000       3.268000       1.012000     -0.2158000E-01   1.434000
  1 1 1     -14  -34   10 o    2.904000      0.7129000       2.723000 1.005000       3.085000       1.012000     -0.3617000       1.426000
  1 1 1     -14  -34   11 o    2.204000      0.6550000       2.485000 0.9790000       1.923000      0.8705000      0.5616000       1.310000
  1 1 1     -14  -34   12 o    2.097000      0.6431000       1.743000 0.8199000       2.451000      0.9910000     -0.7079000       1.286000
  1 1 1     -14  -34   13 o    2.142000      0.6419000       1.816000 0.8322000       2.469000      0.9777000     -0.6533000       1.284000
  1 1 1     -14  -34   14 o    2.124000      0.6668000       2.011000 0.9131000       2.236000      0.9720000     -0.2247000       1.334000
  1 1 1     -14  -34   15 o    2.664000      0.7235000       2.582000 0.9894000       2.747000       1.056000     -0.1652000       1.447000
  1 1 1     -14  -33    1 o    3.482000      0.6412000       3.814000 0.9053000       3.151000      0.9082000      0.6624000       1.282000
  1 1 1     -14  -33    2 o    3.064000      0.6503000       3.326000 0.9287000       2.802000      0.9104000      0.5240000       1.301000
  1 1 1     -14  -33    3 o    2.760000      0.6378000       3.195000 0.9171000       2.325000      0.8865000      0.8705000       1.276000
  1 1 1     -14  -33    4 o    1.743000      0.5499000       2.174000 0.8922000       1.311000      0.6431000      0.8630000       1.100000
  1 1 1     -14  -33    5 o    1.842000      0.5740000       1.920000 0.8296000       1.763000      0.7933000      0.1573000       1.148000
  1 1 1     -14  -33    6 o    2.775000      0.6583000       3.151000 0.9408000       2.400000      0.9211000      0.7511000       1.317000
  1 1 1     -14  -33    7 o    4.169000      0.5641000       5.247000 0.6493000       3.092000      0.9227000       2.155000       1.128000
  1 1 1     -14  -33    8 o    4.017000      0.5553000       3.142000 0.8962000       4.893000      0.6559000      -1.752000       1.111000
  1 1 1     -14  -33    9 o    2.105000      0.6277000       2.007000 0.8756000       2.204000      0.8995000     -0.1973000       1.255000
  1 1 1     -14  -33   10 o    1.651000      0.5442000       2.052000 0.8897000       1.250000      0.6270000      0.8016000       1.088000
  1 1 1     -14  -33   11 o    2.858000      0.6696000       3.540000 0.9662000       2.176000      0.9272000       1.365000       1.339000
  1 1 1     -14  -33   12 o    3.114000      0.7336000       3.063000 1.056000       3.166000       1.019000     -0.1024000       1.467000
  1 1 1     -14  -33   13 o    2.399000      0.6491000       1.564000 0.7584000       3.235000       1.054000      -1.671000       1.298000
  1 1 1     -14  -33   14 o    1.690000      0.5605000       1.531000 0.7367000       1.849000      0.8449000     -0.3186000       1.121000
  1 1 1     -14  -33   15 o    2.992000      0.7025000       3.560000 0.9943000       2.425000      0.9925000       1.135000       1.405000
  1 1 1     -14  -33   16 o    2.709000      0.7110000       2.950000 1.005000       2.468000       1.006000      0.4820000       1.422000
  1 1 1     -14  -33   17 o    2.613000      0.7296000       2.199000 0.9556000       3.027000       1.103000     -0.8273000       1.459000
  1 1 1     -14  -32    1 o    3.055000      0.6068000       3.063000 0.8661000       3.047000      0.8502000      0.1602000E-01   1.214000
  1 1 1     -14  -32    2 o    3.064000      0.5986000       2.866000 0.8754000       3.262000      0.8167000     -0.3963000       1.197000
  1 1 1     -14  -32    3 o    2.997000      0.5664000       3.718000 0.7427000       2.276000      0.8553000       1.442000       1.133000
  1 1 1     -14  -32    4 o    3.190000      0.5787000       2.834000 0.8549000       3.545000      0.7801000     -0.7109000       1.157000
  1 1 1     -14  -32    5 o    2.308000      0.5925000       2.783000 0.8838000       1.834000      0.7893000      0.9482000       1.185000
  1 1 1     -14  -32    6 o    1.731000      0.5484000       1.758000 0.7833000       1.704000      0.7676000      0.5408000E-01   1.097000
  1 1 1     -14  -32    7 o    2.890000      0.6148000       2.301000 0.8806000       3.479000      0.8582000      -1.178000       1.230000
  1 1 1     -14  -32    8 o    2.233000      0.6048000       2.609000 0.8961000       1.858000      0.8124000      0.7512000       1.210000
  1 1 1     -14  -32    9 o    4.315000      0.5085000       3.581000 0.7845000       5.049000      0.6473000      -1.468000       1.017000
  1 1 1     -14  -32   10 o    5.291000      0.4382000       4.835000 0.6466000       5.748000      0.5917000     -0.9135000      0.8764000
  1 1 1     -14  -32   11 o    2.130000      0.6311000       1.867000 0.8398000       2.394000      0.9424000     -0.5271000       1.262000
  1 1 1     -14  -32   12 o    2.197000      0.6295000       2.528000 0.9422000       1.865000      0.8351000      0.6627000       1.259000
  1 1 1     -14  -32   13 o    2.130000      0.6300000       2.090000 0.8730000       2.170000      0.9086000     -0.8027000E-01   1.260000
  1 1 1     -14  -32   14 o    3.751000      0.6853000       3.997000 0.9419000       3.505000      0.9957000      0.4925000       1.371000
  1 1 1     -14  -32   15 o    2.704000      0.6889000       2.539000 0.9578000       2.869000      0.9904000     -0.3301000       1.378000
  1 1 1     -14  -32   16 o    3.880000      0.6699000       3.457000 0.9743000       4.304000      0.9198000     -0.8472000       1.340000
  1 1 1     -14  -32   17 o    2.835000      0.7024000       3.004000 0.9577000       2.666000       1.028000      0.3379000       1.405000
  1 1 1     -14  -32   18 o    1.856000      0.6112000       1.852000 0.8683000       1.860000      0.8605000     -0.8394000E-02   1.222000
  1 1 1     -14  -32   19 o    2.754000      0.7240000       2.373000 0.9978000       3.136000       1.049000     -0.7625000       1.448000
  1 1 1     -14  -31    1 o    1.849000      0.5420000       1.843000 0.7619000       1.855000      0.7710000     -0.1277000E-01   1.084000
  1 1 1     -14  -31    2 o    5.051000      0.3753000       4.890000 0.5601000       5.211000      0.4995000     -0.3202000      0.7505000
  1 1 1     -14  -31    3 o    2.408000      0.5728000       2.818000 0.8324000       1.997000      0.7872000      0.8207000       1.146000
  1 1 1     -14  -31    4 o    2.042000      0.5675000       2.218000 0.8366000       1.867000      0.7669000      0.3511000       1.135000
  1 1 1     -14  -31    5 o    2.498000      0.5814000       2.121000 0.8334000       2.876000      0.8109000     -0.7547000       1.163000
  1 1 1     -14  -31    6 o    2.038000      0.5406000       2.581000 0.8260000       1.495000      0.6977000       1.086000       1.081000
  1 1 1     -14  -31    7 o    2.972000      0.6099000       3.005000 0.8659000       2.938000      0.8591000      0.6636000E-01   1.220000
  1 1 1     -14  -31    8 o    5.911000      0.3636000       6.147000 0.4861000       5.675000      0.5410000      0.4719000      0.7273000
  1 1 1     -14  -31    9 o    5.922000      0.3694000       6.154000 0.4955000       5.691000      0.5481000      0.4634000      0.7389000
  1 1 1     -14  -31   10 o    3.403000      0.5728000       2.535000 0.8711000       4.270000      0.7442000      -1.736000       1.146000
  1 1 1     -14  -31   11 o    5.667000      0.4037000       6.301000 0.4601000       5.033000      0.6634000       1.267000      0.8073000
  1 1 1     -14  -31   12 o    6.395000      0.3537000       6.690000 0.4631000       6.101000      0.5347000      0.5889000      0.7074000
  1 1 1     -14  -31   13 o    1.739000      0.5588000       1.913000 0.8286000       1.565000      0.7499000      0.3485000       1.118000
  1 1 1     -14  -31   14 o    2.385000      0.6381000       2.609000 0.9073000       2.161000      0.8974000      0.4480000       1.276000
  1 1 1     -14  -31   15 o    2.001000      0.6170000       1.857000 0.8393000       2.145000      0.9045000     -0.2875000       1.234000
  1 1 1     -14  -31   16 o    2.767000      0.6722000       3.218000 0.9583000       2.316000      0.9430000      0.9019000       1.344000
  1 1 1     -14  -31   17 o    3.020000      0.6995000       3.477000 0.9908000       2.564000      0.9876000      0.9130000       1.399000
  1 1 1     -14  -31   18 o    3.217000      0.6911000       3.695000 0.9223000       2.740000       1.029000      0.9541000       1.382000
  1 1 1     -14  -31   19 o    2.557000      0.6990000       3.085000 1.057000       2.029000      0.9154000       1.055000       1.398000
  1 1 1     -14  -31   20 o    3.311000      0.7466000       3.038000 1.054000       3.584000       1.058000     -0.5454000       1.493000
  1 1 1     -14  -31   21 o    3.041000       1.287000       3.041000 1.287000                  ?              ?              ?              ?
  1 1 1     -14  -30    1 o    11.49000      0.3186000       11.03000 0.4328000       11.95000      0.4677000     -0.9209000      0.6373000
  1 1 1     -14  -30    2 f    2.243000      0.6225000       2.174000 0.8452000       2.312000      0.9142000     -0.1385000       1.245000
  1 1 1     -14  -30    3 o    3.427000      0.5590000       3.957000 0.6609000       2.897000      0.9016000       1.059000       1.118000
  1 1 1     -14  -30    5 o    2.298000      0.6069000       2.317000 0.7870000       2.278000      0.9240000      0.3925000E-01   1.214000
  1 1 1     -14  -30    6 o    2.530000      0.5630000       2.624000 0.7721000       2.435000      0.8195000      0.1886000       1.126000
  1 1 1     -14  -30    7 o    2.493000      0.5681000       2.632000 0.7769000       2.355000      0.8290000      0.2776000       1.136000
  1 1 1     -14  -30    8 o    8.432000      0.2791000       8.185000 0.3908000       8.678000      0.3985000     -0.4925000      0.5581000
  1 1 1     -14  -30    9 o    7.825000      0.2825000       7.991000 0.3838000       7.659000      0.4147000      0.3323000      0.5650000
  1 1 1     -14  -30   10 o    3.594000      0.5043000       3.660000 0.6534000       3.528000      0.7683000      0.1323000       1.009000
  1 1 1     -14  -30   11 o    7.731000      0.2912000       7.797000 0.3989000       7.665000      0.4245000      0.1318000      0.5825000
  1 1 1     -14  -30   12 o    5.810000      0.3593000       5.575000 0.4858000       6.045000      0.5296000     -0.4702000      0.7187000
  1 1 1     -14  -30   13 o    2.692000      0.6136000       2.175000 0.8202000       3.208000      0.9129000      -1.033000       1.227000
  1 1 1     -14  -30   14 o    3.030000      0.6523000       3.040000 0.9020000       3.020000      0.9426000      0.2006000E-01   1.305000
  1 1 1     -14  -30   15 f    1.905000      0.5988000       1.889000 0.8338000       1.920000      0.8595000     -0.3018000E-01   1.198000
  1 1 1     -14  -30   16 o    3.174000      0.6235000       2.306000 0.8958000       4.041000      0.8676000      -1.735000       1.247000
  1 1 1     -14  -30   17 o    2.589000      0.6915000       2.612000 0.9706000       2.566000      0.9853000      0.4571000E-01   1.383000
  1 1 1     -14  -30   18 o    3.089000      0.6988000       3.253000 0.9691000       2.925000       1.007000      0.3279000       1.398000
  1 1 1     -14  -30   19 o    2.252000      0.6552000       2.105000 0.9228000       2.400000      0.9304000     -0.2947000       1.310000
  1 1 1     -14  -30   20 f    3.164000      0.6924000       2.178000 0.9337000       4.150000       1.023000      -1.972000       1.385000
  1 1 1     -14  -30   21 o    3.070000      0.6800000       3.753000 0.9181000       2.387000       1.003000       1.367000       1.360000
  1 1 1     -14  -30   22 o    2.356000      0.6859000       2.399000 0.9750000       2.312000      0.9649000      0.8656000E-01   1.372000
  1 1 1     -14  -29    1 o    6.598000      0.2619000       6.723000 0.3799000       6.473000      0.3606000      0.2502000      0.5237000
  1 1 1     -14  -29    2 o    1.557000      0.4662000       1.921000 0.7318000       1.193000      0.5777000      0.7278000      0.9324000
  1 1 1     -14  -29    3 o    2.474000      0.5340000       2.545000 0.7336000       2.404000      0.7762000      0.1413000       1.068000
  1 1 1     -14  -29    4 o    2.152000      0.5355000       2.074000 0.7285000       2.230000      0.7852000     -0.1566000       1.071000
  1 1 1     -14  -29    5 o    1.714000      0.5135000       1.736000 0.7210000       1.692000      0.7314000      0.4386000E-01   1.027000
  1 1 1     -14  -29    6 o    6.579000      0.2865000       6.370000 0.4267000       6.787000      0.3823000     -0.4177000      0.5729000
  1 1 1     -14  -29    7 o    7.451000      0.3462000       7.823000 0.4303000       7.079000      0.5425000      0.7442000      0.6924000
  1 1 1     -14  -29    8 o    7.100000      0.3715000       7.680000 0.4371000       6.520000      0.6009000       1.160000      0.7431000
  1 1 1     -14  -29    9 o    3.801000      0.5677000       2.533000 0.8467000       5.069000      0.7566000      -2.536000       1.135000
  1 1 1     -14  -29   10 o    4.439000      0.4733000       4.798000 0.5947000       4.081000      0.7366000      0.7164000      0.9467000
  1 1 1     -14  -29   11 o    5.397000      0.3647000       5.223000 0.4990000       5.570000      0.5319000     -0.3473000      0.7293000
  1 1 1     -14  -29   12 o    4.479000      0.4345000       4.510000 0.5524000       4.449000      0.6709000      0.6007000E-01  0.8691000
  1 1 1     -14  -29   13 o    3.988000      0.5097000       3.633000 0.7236000       4.344000      0.7179000     -0.7106000       1.019000
  1 1 1     -14  -29   14 o    4.736000      0.4917000       4.244000 0.7299000       5.228000      0.6591000     -0.9836000      0.9835000
  1 1 1     -14  -29   15 o    3.989000      0.5859000       4.087000 0.7645000       3.892000      0.8880000      0.1951000       1.172000
  1 1 1     -14  -29   16 o    3.401000      0.6160000       3.136000 0.8841000       3.666000      0.8580000     -0.5307000       1.232000
  1 1 1     -14  -29   17 o    4.243000      0.5889000       3.962000 0.8340000       4.524000      0.8318000     -0.5611000       1.178000
  1 1 1     -14  -29   18 o    4.104000      0.5993000       4.336000 0.7685000       3.871000      0.9198000      0.4647000       1.199000
  1 1 1     -14  -29   19 o    1.993000      0.8692000       1.993000 0.8692000                  ?              ?              ?              ?
  1 1 1     -14  -29   20 o    2.540000      0.6837000       2.035000 0.8927000       3.045000       1.036000      -1.010000       1.367000
  1 1 1     -14  -29   21 o    3.386000       1.091000                  ?       ?   3.386000       1.091000                  ?              ?
  1 1 1     -14  -29   22 o    2.637000      0.7000000       2.870000 0.9990000       2.404000      0.9809000      0.4656000       1.400000
  1 1 1     -14  -29   23 o    3.090000      0.7203000       2.756000 1.022000       3.425000       1.016000     -0.6698000       1.441000
  1 1 1     -14  -28    1 o    3.403000      0.4432000       2.992000 0.6704000       3.813000      0.5800000     -0.8215000      0.8865000
  1 1 1     -14  -28    2 o    3.948000      0.3463000       4.299000 0.3699000       3.598000      0.5855000      0.7009000      0.6925000
  1 1 1     -14  -28    3 o    2.143000      0.6562000       2.212000 0.9958000       2.073000      0.8547000      0.1388000       1.312000
  1 1 1     -14  -28    4 o    5.123000      0.6173000       5.110000 1.032000       5.135000      0.6782000     -0.2502000E-01   1.235000
  1 1 1     -14  -28    5 o    2.959000      0.6946000       2.686000 1.071000       3.232000      0.8851000     -0.5454000       1.389000
  1 1 1     -14  -28    6 o    4.178000      0.6991000       3.479000 1.213000       4.876000      0.6956000      -1.397000       1.398000
  1 1 1     -14  -28    7 o    3.735000      0.4696000       3.978000 0.5720000       3.491000      0.7448000      0.4868000      0.9391000
  1 1 1     -14  -28    8 o    5.189000      0.3458000       5.362000 0.4416000       5.015000      0.5322000      0.3470000      0.6916000
  1 1 1     -14  -28    9 o    6.094000      0.3235000       6.293000 0.4169000       5.896000      0.4947000      0.3968000      0.6470000
  1 1 1     -14  -28   10 o    8.465000      0.2782000       8.622000 0.3765000       8.308000      0.4096000      0.3138000      0.5563000
  1 1 1     -14  -28   11 o    5.681000      0.5264000       6.387000 0.5216000       4.976000      0.9146000       1.410000       1.053000
  1 1 1     -14  -28   12 o    2.950000      0.6673000       3.099000 0.7802000       2.801000       1.083000      0.2983000       1.335000
  1 1 1     -14  -28   13 o    4.371000      0.6209000       4.617000 0.6681000       4.124000       1.047000      0.4926000       1.242000
  1 1 1     -14  -28   14 o    4.119000      0.5335000       4.198000 0.7011000       4.040000      0.8042000      0.1584000       1.067000
  1 1 1     -14  -28   15 o    5.298000      0.3988000       5.225000 0.5268000       5.371000      0.5989000     -0.1466000      0.7976000
  1 1 1     -14  -28   16 o    2.719000      0.6438000       2.521000 0.8900000       2.918000      0.9305000     -0.3967000       1.288000
  1 1 1     -14  -28   17 o    2.271000      0.6490000       1.996000 0.8477000       2.545000      0.9831000     -0.5493000       1.298000
  1 1 1     -14  -28   18 o    2.469000      0.6340000       1.790000 0.7901000       3.147000      0.9918000      -1.357000       1.268000
  1 1 1     -14  -28   19 o    2.398000      0.6501000       2.682000 0.9336000       2.113000      0.9050000      0.5691000       1.300000
  1 1 1     -14  -28   20 o    3.082000      0.7040000       2.797000 0.9689000       3.367000       1.022000     -0.5702000       1.408000
  1 1 1     -14  -28   21 o    3.725000       1.021000                  ?       ?   3.725000       1.021000                  ?              ?
  1 1 1     -14  -28   22 o    4.140000      0.6295000       3.908000 0.9180000       4.371000      0.8617000     -0.4629000       1.259000
  1 1 1     -14  -28   23 o    2.461000      0.6472000       3.080000 0.9909000       1.842000      0.8329000       1.237000       1.294000
  1 1 1     -14  -28   24 o    2.140000      0.6335000       1.996000 0.8799000       2.284000      0.9115000     -0.2880000       1.267000
  1 1 1     -14  -28   25 f    3.801000       1.283000       3.801000 1.283000                  ?              ?              ?              ?
  1 1 1     -14  -27    1 o    13.68000      0.2380000       13.52000 0.3396000       13.84000      0.3336000     -0.3167000      0.4760000
  1 1 1     -14  -27    2 o    10.73000      0.2239000       10.76000 0.3132000       10.70000      0.3200000      0.6015000E-01  0.4478000
  1 1 1     -14  -27    3 o    10.48000      0.2251000       10.09000 0.3176000       10.87000      0.3191000     -0.7876000      0.4503000
  1 1 1     -14  -27    4 o    5.218000      0.3044000       5.271000 0.4187000       5.164000      0.4420000      0.1065000      0.6088000
  1 1 1     -14  -27    5 o    6.734000      0.2533000       6.929000 0.3425000       6.538000      0.3731000      0.3914000      0.5065000
  1 1 1     -14  -27    6 o    9.782000      0.2402000       9.813000 0.3339000       9.751000      0.3453000      0.6205000E-01  0.4803000
  1 1 1     -14  -27    7 o    3.299000      0.4332000       3.008000 0.5519000       3.589000      0.6678000     -0.5815000      0.8664000
  1 1 1     -14  -27    8 o    3.866000      0.6982000       3.545000 1.141000       4.186000      0.8053000     -0.6409000       1.396000
  1 1 1     -14  -27    9 o    3.777000      0.7576000       3.819000 1.216000       3.735000      0.9035000      0.8420000E-01   1.515000
  1 1 1     -14  -27   10 f    6.943000      0.5169000       7.179000 0.8339000       6.706000      0.6109000      0.4723000       1.034000
  1 1 1     -14  -27   11 o    5.646000      0.3574000       5.773000 0.4777000       5.519000      0.5318000      0.2542000      0.7148000
  1 1 1     -14  -27   12 o    4.410000      0.4437000       4.646000 0.5362000       4.174000      0.7071000      0.4721000      0.8874000
  1 1 1     -14  -27   13 o    6.068000      0.3386000       5.937000 0.4512000       6.198000      0.5049000     -0.2608000      0.6772000
  1 1 1     -14  -27   14 o    7.355000      0.4582000       7.521000 0.4990000       7.190000      0.7686000      0.3318000      0.9164000
  1 1 1     -14  -27   15 o    6.531000      0.5222000       6.339000 0.5699000       6.724000      0.8752000     -0.3843000       1.044000
  1 1 1     -14  -27   16 o    5.162000      0.6211000       5.319000 0.6060000       5.005000       1.084000      0.3146000       1.242000
  1 1 1     -14  -27   17 o    2.764000      0.6140000       1.833000 0.8124000       3.694000      0.9209000      -1.861000       1.228000
  1 1 1     -14  -27   18 f    2.176000      0.6299000       1.876000 0.8062000       2.476000      0.9681000     -0.5993000       1.260000
  1 1 1     -14  -27   19 o    7.669000      0.3617000       7.367000 0.5016000       7.970000      0.5214000     -0.6022000      0.7235000
  1 1 1     -14  -27   20 o    2.816000      0.6755000       2.262000 0.8862000       3.371000       1.020000      -1.109000       1.351000
  1 1 1     -14  -27   21 o    3.285000      0.7109000       2.935000 0.9702000       3.634000       1.039000     -0.6989000       1.422000
  1 1 1     -14  -27   22 o    2.965000      0.7098000       3.255000 1.004000       2.674000       1.003000      0.5808000       1.420000
  1 1 1     -14  -27   23 o    3.943000      0.6305000       4.629000 0.7966000       3.257000      0.9775000       1.372000       1.261000
  1 1 1     -14  -27   24 o    2.182000      0.6317000       1.780000 0.8129000       2.584000      0.9672000     -0.8039000       1.263000
  1 1 1     -14  -27   25 o    4.455000      0.5919000       5.020000 0.6749000       3.890000      0.9727000       1.130000       1.184000
  1 1 1     -14  -27   26 o    4.113000      0.8352000       5.096000 1.136000       3.130000       1.225000       1.966000       1.670000
  1 1 1     -14  -26    1 o    4.921000      0.2751000       4.645000 0.3775000       5.196000      0.4002000     -0.5512000      0.5501000
  1 1 1     -14  -26    2 f    8.445000      0.2228000       8.493000 0.3161000       8.397000      0.3142000      0.9640000E-01  0.4456000
  1 1 1     -14  -26    3 o    2.472000      0.4878000       2.252000 0.6676000       2.692000      0.7114000     -0.4400000      0.9756000
  1 1 1     -14  -26    4 o    8.719000      0.2323000       9.070000 0.3195000       8.367000      0.3373000      0.7030000      0.4645000
  1 1 1     -14  -26    5 o    6.475000      0.2561000       6.287000 0.3556000       6.663000      0.3687000     -0.3760000      0.5123000
  1 1 1     -14  -26    6 o    9.651000      0.2351000       9.570000 0.3318000       9.731000      0.3331000     -0.1607000      0.4701000
  1 1 1     -14  -26    7 o    2.444000      0.5428000       2.265000 0.7484000       2.623000      0.7864000     -0.3574000       1.086000
  1 1 1     -14  -26    8 o    1.968000      0.5318000       1.645000 0.7075000       2.291000      0.7942000     -0.6461000       1.064000
  1 1 1     -14  -26    9 o    2.668000      0.5659000       2.267000 0.8075000       3.069000      0.7929000     -0.8022000       1.132000
  1 1 1     -14  -26   10 o    6.431000      0.3071000       6.538000 0.4224000       6.324000      0.4459000      0.2141000      0.6142000
  1 1 1     -14  -26   11 o    5.559000      0.6369000       5.711000 1.076000       5.407000      0.6817000      0.3039000       1.274000
  1 1 1     -14  -26   12 o    4.048000      0.7591000       4.740000 1.127000       3.356000       1.017000       1.384000       1.518000
  1 1 1     -14  -26   13 o    9.648000      0.4202000       10.10000 0.6553000       9.192000      0.5262000      0.9110000      0.8404000
  1 1 1     -14  -26   14 o    5.022000      0.4248000       5.476000 0.5051000       4.568000      0.6832000      0.9080000      0.8496000
  1 1 1     -14  -26   15 o    3.122000      0.6187000       3.596000 0.8170000       2.649000      0.9294000      0.9470000       1.237000
  1 1 1     -14  -26   16 o    7.929000      0.3184000       8.234000 0.4208000       7.625000      0.4779000      0.6094000      0.6368000
  1 1 1     -14  -26   17 o    7.198000      0.4562000       7.142000 0.5178000       7.254000      0.7512000     -0.1121000      0.9123000
  1 1 1     -14  -26   18 o    2.921000      0.7482000       3.092000 0.9398000       2.749000       1.165000      0.3432000       1.496000
  1 1 1     -14  -26   19 o    4.382000      0.5439000       4.209000 0.7257000       4.556000      0.8103000     -0.3468000       1.088000
  1 1 1     -14  -26   20 o    5.574000      0.4484000       6.135000 0.5701000       5.012000      0.6924000       1.123000      0.8969000
  1 1 1     -14  -26   21 o    4.081000      0.6133000       4.345000 0.8068000       3.818000      0.9240000      0.5274000       1.227000
  1 1 1     -14  -26   22 o    3.334000      0.6439000       3.134000 0.9164000       3.534000      0.9048000     -0.4002000       1.288000
  1 1 1     -14  -26   23 o    2.632000      0.6755000       2.503000 0.9483000       2.762000      0.9623000     -0.2586000       1.351000
  1 1 1     -14  -26   24 o    2.475000      0.6130000       3.303000 0.9448000       1.648000      0.7815000       1.654000       1.226000
  1 1 1     -14  -26   25 o    2.520000      0.6692000       2.672000 0.9438000       2.368000      0.9490000      0.3037000       1.338000
  1 1 1     -14  -26   26 o    3.566000      0.6514000       2.820000 0.9858000       4.313000      0.8519000      -1.492000       1.303000
  1 1 1     -14  -26   27 o    3.464000      0.8759000       3.330000 1.217000       3.599000       1.260000     -0.2696000       1.752000
  1 1 1     -14  -25    1 o    9.633000      0.2145000       9.731000 0.3026000       9.534000      0.3042000      0.1973000      0.4291000
  1 1 1     -14  -25    2 o    5.699000      0.2647000       5.533000 0.3751000       5.865000      0.3735000     -0.3322000      0.5293000
  1 1 1     -14  -25    3 o    4.978000      0.2747000       5.147000 0.3674000       4.809000      0.4086000      0.3379000      0.5495000
  1 1 1     -14  -25    4 o    5.199000      0.2962000       5.300000 0.3977000       5.098000      0.4391000      0.2016000      0.5924000
  1 1 1     -14  -25    5 o    3.111000      0.4292000       2.754000 0.6270000       3.469000      0.5862000     -0.7146000      0.8584000
  1 1 1     -14  -25    6 o    3.898000      0.3852000       3.415000 0.5664000       4.380000      0.5222000     -0.9655000      0.7704000
  1 1 1     -14  -25    7 o    8.116000      0.2540000       8.009000 0.3532000       8.223000      0.3650000     -0.2144000      0.5079000
  1 1 1     -14  -25    8 o    6.570000      0.2811000       6.699000 0.3774000       6.442000      0.4165000      0.2574000      0.5621000
  1 1 1     -14  -25    9 o    8.818000      0.2482000       8.997000 0.3454000       8.638000      0.3564000      0.3596000      0.4963000
  1 1 1     -14  -25   10 o    7.652000      0.2734000       7.473000 0.3928000       7.832000      0.3803000     -0.3589000      0.5467000
  1 1 1     -14  -25   11 o    7.310000      0.3456000       6.715000 0.4088000       7.904000      0.5573000      -1.189000      0.6912000
  1 1 1     -14  -25   12 o    3.491000      0.5099000       3.333000 0.7130000       3.649000      0.7292000     -0.3156000       1.020000
  1 1 1     -14  -25   13 o    4.503000      0.4490000       4.519000 0.6066000       4.487000      0.6622000      0.3195000E-01  0.8980000
  1 1 1     -14  -25   14 o    5.598000      0.5845000       6.661000 0.8109000       4.535000      0.8421000       2.126000       1.169000
  1 1 1     -14  -25   15 o    3.403000      0.7792000       2.834000 1.190000       3.971000       1.006000      -1.137000       1.558000
  1 1 1     -14  -25   16 o    6.977000      0.3547000       7.711000 0.4583000       6.244000      0.5415000       1.468000      0.7094000
  1 1 1     -14  -25   17 o    4.036000      0.5571000       4.086000 0.7205000       3.986000      0.8500000      0.9966000E-01   1.114000
  1 1 1     -14  -25   18 o    8.283000      0.3125000       8.085000 0.4331000       8.482000      0.4506000     -0.3964000      0.6250000
  1 1 1     -14  -25   19 f    3.638000      0.6829000       4.671000 0.7806000       2.605000       1.121000       2.066000       1.366000
  1 1 1     -14  -25   20 o    3.581000      0.9462000       3.581000 0.9462000                  ?              ?              ?              ?
  1 1 1     -14  -25   21 o    4.329000      0.5555000       4.211000 0.7673000       4.447000      0.8035000     -0.2360000       1.111000
  1 1 1     -14  -25   22 o    4.157000      0.8559000                  ?       ?   4.157000      0.8559000                  ?              ?
  1 1 1     -14  -25   23 o    3.059000      0.6871000       2.887000 0.9787000       3.231000      0.9648000     -0.3441000       1.374000
  1 1 1     -14  -25   24 o    2.370000      0.6629000       2.432000 0.9390000       2.309000      0.9361000      0.1235000       1.326000
  1 1 1     -14  -25   25 o    2.985000      0.6159000       3.628000 0.8182000       2.342000      0.9207000       1.286000       1.232000
  1 1 1     -14  -25   26 o    1.762000      0.5635000       1.659000 0.7652000       1.865000      0.8274000     -0.2056000       1.127000
  1 1 1     -14  -25   27 o    3.569000      0.5932000       4.409000 0.7329000       2.729000      0.9330000       1.680000       1.186000
  1 1 1     -14  -24    1 o    6.129000      0.2369000       5.732000 0.3468000       6.527000      0.3228000     -0.7943000      0.4738000
  1 1 1     -14  -24    2 o    6.384000      0.2516000       6.378000 0.3491000       6.390000      0.3625000     -0.1130000E-01  0.5033000
  1 1 1     -14  -24    3 o    2.045000      0.4757000       1.548000 0.6337000       2.543000      0.7097000     -0.9950000      0.9514000
  1 1 1     -14  -24    4 o    8.733000      0.2255000       8.957000 0.3133000       8.508000      0.3245000      0.4493000      0.4511000
  1 1 1     -14  -24    5 o    2.164000      0.5115000       1.933000 0.6899000       2.395000      0.7554000     -0.4614000       1.023000
  1 1 1     -14  -24    6 o    5.539000      0.2945000       5.747000 0.3925000       5.331000      0.4393000      0.4156000      0.5891000
  1 1 1     -14  -24    7 o    3.135000      0.4732000       2.999000 0.6767000       3.272000      0.6616000     -0.2730000      0.9464000
  1 1 1     -14  -24    8 o    13.11000      0.2452000       13.02000 0.3441000       13.20000      0.3493000     -0.1742000      0.4904000
  1 1 1     -14  -24    9 o    6.193000      0.2951000       6.307000 0.3803000       6.080000      0.4514000      0.2271000      0.5902000
  1 1 1     -14  -24   10 o    6.083000      0.3005000       6.004000 0.4023000       6.162000      0.4466000     -0.1583000      0.6011000
  1 1 1     -14  -24   11 o    7.209000      0.2901000       6.822000 0.4032000       7.595000      0.4173000     -0.7729000      0.5802000
  1 1 1     -14  -24   12 o    6.779000      0.3029000       7.120000 0.3917000       6.438000      0.4621000      0.6820000      0.6057000
  1 1 1     -14  -24   13 o    5.701000      0.3415000       5.486000 0.4530000       5.916000      0.5112000     -0.4301000      0.6830000
  1 1 1     -14  -24   14 o    11.61000      0.2633000       12.17000 0.3669000       11.05000      0.3779000       1.122000      0.5267000
  1 1 1     -14  -24   15 o    3.384000      0.5527000       3.392000 0.7701000       3.375000      0.7929000      0.1744000E-01   1.105000
  1 1 1     -14  -24   16 f    6.363000      0.6136000       5.755000 1.045000       6.972000      0.6426000      -1.217000       1.227000
  1 1 1     -14  -24   17 o    4.718000      0.7165000       3.508000 1.223000       5.928000      0.7475000      -2.420000       1.433000
  1 1 1     -14  -24   18 o    6.349000      0.3631000       6.258000 0.5112000       6.441000      0.5157000     -0.1822000      0.7261000
  1 1 1     -14  -24   19 o    4.806000      0.4990000       5.468000 0.5334000       4.144000      0.8434000       1.324000      0.9979000
  1 1 1     -14  -24   20 o    3.865000      0.5428000       5.277000 0.6248000       2.453000      0.8879000       2.824000       1.086000
  1 1 1     -14  -24   21 o    4.479000      0.7449000       4.272000 0.8767000       4.687000       1.204000     -0.4151000       1.490000
  1 1 1     -14  -24   22 o    4.797000       1.032000                  ?       ?   4.797000       1.032000                  ?              ?
  1 1 1     -14  -24   23 o    2.638000      0.6587000       2.371000 0.9117000       2.906000      0.9510000     -0.5351000       1.317000
  1 1 1     -14  -24   24 o    4.069000      0.6265000       3.534000 0.9593000       4.604000      0.8060000      -1.070000       1.253000
  1 1 1     -14  -24   25 o    1.929000      0.5978000       2.011000 0.8471000       1.847000      0.8436000      0.1645000       1.196000
  1 1 1     -14  -24   26 o    1.949000      0.5935000       1.501000 0.7127000       2.397000      0.9492000     -0.8963000       1.187000
  1 1 1     -14  -24   27 o    3.703000      0.6358000       3.904000 0.8615000       3.501000      0.9354000      0.4028000       1.272000
  1 1 1     -14  -24   28 o    2.078000      0.6238000       2.013000 0.8539000       2.142000      0.9097000     -0.1284000       1.248000
  1 1 1     -14  -23    1 o    1.837000      0.4529000       2.111000 0.6289000       1.563000      0.6519000      0.5470000      0.9058000
  1 1 1     -14  -23    2 o    7.425000      0.2201000       7.663000 0.3047000       7.186000      0.3176000      0.4766000      0.4401000
  1 1 1     -14  -23    3 o    6.323000      0.2498000       6.492000 0.3320000       6.154000      0.3732000      0.3376000      0.4996000
  1 1 1     -14  -23    4 o    3.853000      0.3617000       3.930000 0.4549000       3.777000      0.5625000      0.1538000      0.7234000
  1 1 1     -14  -23    5 o    2.570000      0.4842000       1.906000 0.7196000       3.233000      0.6482000      -1.327000      0.9685000
  1 1 1     -14  -23    6 o    5.391000      0.2910000       5.174000 0.3963000       5.608000      0.4261000     -0.4345000      0.5819000
  1 1 1     -14  -23    7 o    4.687000      0.3470000       4.190000 0.5163000       5.183000      0.4637000     -0.9928000      0.6939000
  1 1 1     -14  -23    8 o    6.978000      0.2680000       6.370000 0.3866000       7.586000      0.3712000      -1.216000      0.5359000
  1 1 1     -14  -23    9 o    3.802000      0.4118000       3.692000 0.5722000       3.912000      0.5924000     -0.2201000      0.8236000
  1 1 1     -14  -23   10 o    6.334000      0.2790000       6.504000 0.3668000       6.163000      0.4204000      0.3416000      0.5579000
  1 1 1     -14  -23   11 o    3.990000      0.4574000       4.938000 0.4617000       3.041000      0.7896000       1.897000      0.9147000
  1 1 1     -14  -23   12 o    7.976000      0.2625000       7.504000 0.3683000       8.449000      0.3740000     -0.9443000      0.5249000
  1 1 1     -14  -23   13 o    2.848000      0.5620000       2.449000 0.7849000       3.247000      0.8046000     -0.7981000       1.124000
  1 1 1     -14  -23   14 o    9.904000      0.2667000       10.17000 0.3680000       9.634000      0.3861000      0.5402000      0.5334000
  1 1 1     -14  -23   15 o    2.523000      0.5680000       3.001000 0.7774000       2.046000      0.8283000      0.9550000       1.136000
  1 1 1     -14  -23   16 o    4.291000      0.4525000       3.896000 0.6522000       4.686000      0.6273000     -0.7908000      0.9049000
  1 1 1     -14  -23   17 o    2.944000      0.6126000       2.605000 0.8410000       3.283000      0.8909000     -0.6773000       1.225000
  1 1 1     -14  -23   18 o    4.300000      0.7053000       3.501000 1.166000       5.098000      0.7945000      -1.596000       1.411000
  1 1 1     -14  -23   19 o    7.533000      0.5445000       7.138000 0.8712000       7.928000      0.6535000     -0.7899000       1.089000
  1 1 1     -14  -23   20 o    4.685000      0.5355000       5.300000 0.6052000       4.069000      0.8837000       1.231000       1.071000
  1 1 1     -14  -23   21 o    3.717000      0.6310000       3.338000 0.8967000       4.097000      0.8880000     -0.7592000       1.262000
  1 1 1     -14  -23   22 o    5.186000      0.6516000       5.488000 0.6425000       4.883000       1.134000      0.6050000       1.303000
  1 1 1     -14  -23   23 o    3.183000      0.7898000       3.419000 1.058000       2.947000       1.173000      0.4725000       1.580000
  1 1 1     -14  -23   24 o    3.406000      0.6456000       3.313000 0.9080000       3.500000      0.9179000     -0.1873000       1.291000
  1 1 1     -14  -23   25 o    1.701000      0.5548000       1.516000 0.7097000       1.886000      0.8529000     -0.3692000       1.110000
  1 1 1     -14  -23   26 o    2.483000      0.6503000       2.207000 0.8608000       2.759000      0.9749000     -0.5527000       1.301000
  1 1 1     -14  -23   27 o    1.882000      0.5781000       2.061000 0.8534000       1.702000      0.7799000      0.3588000       1.156000
  1 1 1     -14  -23   28 o    2.630000      0.6722000       2.576000 0.9509000       2.684000      0.9502000     -0.1081000       1.344000
  1 1 1     -14  -23   29 o    2.238000      0.6246000       1.821000 0.8086000       2.656000      0.9522000     -0.8353000       1.249000
  1 1 1     -14  -22    1 o    10.52000      0.2347000       10.25000 0.3627000       10.80000      0.2979000     -0.5470000      0.4694000
  1 1 1     -14  -22    2 o    7.892000      0.2143000       7.824000 0.2983000       7.959000      0.3077000     -0.1342000      0.4286000
  1 1 1     -14  -22    3 o    5.097000      0.2597000       5.230000 0.3585000       4.964000      0.3758000      0.2660000      0.5194000
  1 1 1     -14  -22    4 o    3.265000      0.4329000       4.161000 0.4693000       2.370000      0.7276000       1.790000      0.8659000
  1 1 1     -14  -22    5 f    7.359000      0.2323000       7.215000 0.3168000       7.504000      0.3397000     -0.2886000      0.4645000
  1 1 1     -14  -22    6 o    6.505000      0.2670000       6.718000 0.3559000       6.291000      0.3982000      0.4267000      0.5340000
  1 1 1     -14  -22    7 o    9.352000      0.2365000       9.454000 0.3273000       9.251000      0.3415000      0.2024000      0.4730000
  1 1 1     -14  -22    8 o    5.792000      0.2910000       5.827000 0.3811000       5.757000      0.4399000      0.7022000E-01  0.5820000
  1 1 1     -14  -22    9 o    7.103000      0.2687000       6.975000 0.3797000       7.231000      0.3802000     -0.2556000      0.5373000
  1 1 1     -14  -22   10 o    2.776000      0.4936000       3.396000 0.5980000       2.156000      0.7856000       1.240000      0.9873000
  1 1 1     -14  -22   11 o    6.702000      0.4081000       7.095000 0.6906000       6.309000      0.4351000      0.7851000      0.8163000
  1 1 1     -14  -22   12 o    6.401000      0.2892000       6.397000 0.3953000       6.406000      0.4222000     -0.8579000E-02  0.5783000
  1 1 1     -14  -22   13 f    2.531000      0.5599000       2.887000 0.7525000       2.174000      0.8293000      0.7130000       1.120000
  1 1 1     -14  -22   14 o    10.90000      0.2561000       10.44000 0.3535000       11.35000      0.3706000     -0.9126000      0.5122000
  1 1 1     -14  -22   15 o    9.526000      0.2743000       9.665000 0.3759000       9.387000      0.3997000      0.2787000      0.5487000
  1 1 1     -14  -22   16 o    3.140000      0.5519000       2.447000 0.8160000       3.833000      0.7434000      -1.386000       1.104000
  1 1 1     -14  -22   17 o    2.571000      0.6033000       2.212000 0.8415000       2.930000      0.8648000     -0.7182000       1.207000
  1 1 1     -14  -22   18 o    2.270000      0.5923000       1.773000 0.7596000       2.766000      0.9090000     -0.9930000       1.185000
  1 1 1     -14  -22   19 o    4.743000      0.5192000       4.229000 0.7700000       5.256000      0.6968000      -1.027000       1.038000
  1 1 1     -14  -22   20 o    9.196000      0.4891000       8.855000 0.7588000       9.537000      0.6172000     -0.6820000      0.9782000
  1 1 1     -14  -22   21 o    2.887000      0.7759000       3.866000 1.282000       1.908000      0.8749000       1.958000       1.552000
  1 1 1     -14  -22   22 f    5.467000      0.4463000       5.589000 0.6093000       5.345000      0.6522000      0.2442000      0.8925000
  1 1 1     -14  -22   23 o    5.502000      0.4622000       4.999000 0.7073000       6.005000      0.5952000      -1.005000      0.9244000
  1 1 1     -14  -22   24 o    4.670000      0.7189000       4.315000 0.9597000       5.025000       1.071000     -0.7098000       1.438000
  1 1 1     -14  -22   25 o    2.771000      0.7665000       2.493000 0.9818000       3.048000       1.177000     -0.5550000       1.533000
  1 1 1     -14  -22   26 o    2.335000      0.6529000       2.373000 0.8997000       2.297000      0.9464000      0.7680000E-01   1.306000
  1 1 1     -14  -22   27 o    2.623000      0.6442000       3.084000 0.9208000       2.163000      0.9011000      0.9211000       1.288000
  1 1 1     -14  -22   28 o    4.519000      0.5676000       4.954000 0.7343000       4.084000      0.8657000      0.8707000       1.135000
  1 1 1     -14  -22   29 o    1.970000      0.6073000       1.813000 0.8193000       2.127000      0.8966000     -0.3147000       1.215000
  1 1 1     -14  -22   30 o    2.737000      0.6699000       2.760000 0.9356000       2.714000      0.9590000      0.4639000E-01   1.340000
  1 1 1     -14  -21    1 o    6.785000      0.2224000       6.692000 0.3134000       6.878000      0.3156000     -0.1862000      0.4448000
  1 1 1     -14  -21    2 o    2.027000      0.4743000       2.206000 0.6650000       1.847000      0.6765000      0.3585000      0.9486000
  1 1 1     -14  -21    3 o    2.692000      0.4592000       2.734000 0.6275000       2.650000      0.6705000      0.8378000E-01  0.9184000
  1 1 1     -14  -21    4 o    2.102000      0.4838000       2.432000 0.6740000       1.773000      0.6943000      0.6591000      0.9676000
  1 1 1     -14  -21    5 f    2.123000      0.4694000       1.662000 0.6414000       2.584000      0.6857000     -0.9223000      0.9389000
  1 1 1     -14  -21    6 o    1.863000      0.4897000       1.514000 0.6510000       2.211000      0.7316000     -0.6968000      0.9793000
  1 1 1     -14  -21    7 o    5.482000      0.2918000       5.388000 0.4025000       5.576000      0.4227000     -0.1877000      0.5837000
  1 1 1     -14  -21    8 o    4.339000      0.3680000       4.354000 0.4871000       4.324000      0.5517000      0.2971000E-01  0.7360000
  1 1 1     -14  -21    9 o    1.388000      0.4528000       1.363000 0.6280000       1.413000      0.6524000     -0.4983000E-01  0.9055000
  1 1 1     -14  -21   10 o    2.848000      0.5078000       3.483000 0.6243000       2.214000      0.8012000       1.269000       1.016000
  1 1 1     -14  -21   11 o    3.230000      0.4800000       2.808000 0.7002000       3.653000      0.6566000     -0.8452000      0.9599000
  1 1 1     -14  -21   12 o    9.360000      0.2562000       9.011000 0.3572000       9.710000      0.3674000     -0.6986000      0.5124000
  1 1 1     -14  -21   13 f    2.381000      0.5486000       2.655000 0.7585000       2.106000      0.7928000      0.5491000       1.097000
  1 1 1     -14  -21   14 o    3.944000      0.4767000       3.860000 0.6767000       4.028000      0.6717000     -0.1674000      0.9535000
  1 1 1     -14  -21   15 o    11.69000      0.2626000       11.51000 0.3666000       11.87000      0.3759000     -0.3563000      0.5251000
  1 1 1     -14  -21   16 o    1.727000      0.5187000       1.358000 0.6368000       2.096000      0.8189000     -0.7379000       1.037000
  1 1 1     -14  -21   17 o    2.411000      0.6153000       2.378000 0.8515000       2.443000      0.8885000     -0.6486000E-01   1.231000
  1 1 1     -14  -21   18 o    4.299000      0.4748000       3.952000 0.6587000       4.646000      0.6839000     -0.6945000      0.9495000
  1 1 1     -14  -21   19 o    6.147000      0.3850000       6.300000 0.5072000       5.994000      0.5795000      0.3056000      0.7701000
  1 1 1     -14  -21   20 o    12.50000      0.2805000       12.63000 0.3910000       12.37000      0.4024000      0.2557000      0.5611000
  1 1 1     -14  -21   21 o    4.863000       1.162000       4.863000 1.162000                  ?              ?              ?              ?
  1 1 1     -14  -21   22 o    3.271000      0.7779000       2.741000 1.159000       3.800000       1.038000      -1.059000       1.556000
  1 1 1     -14  -21   23 o    6.733000      0.5609000                  ?       ?   6.733000      0.5609000                  ?              ?
  1 1 1     -14  -21   24 o    2.744000      0.6741000       2.641000 0.9285000       2.847000      0.9774000     -0.2055000       1.348000
  1 1 1     -14  -21   25 o    3.411000      0.7992000       3.299000 1.014000       3.523000       1.235000     -0.2237000       1.598000
  1 1 1     -14  -21   26 o    2.225000      0.6996000       2.247000 0.9530000       2.203000       1.024000      0.4416000E-01   1.399000
  1 1 1     -14  -21   27 o    2.131000      0.6417000       1.956000 0.8571000       2.305000      0.9553000     -0.3490000       1.283000
  1 1 1     -14  -21   28 o    3.313000      0.6734000       3.609000 0.9235000       3.017000      0.9805000      0.5929000       1.347000
  1 1 1     -14  -21   29 o    2.323000      0.6541000       2.329000 0.9203000       2.316000      0.9297000      0.1282000E-01   1.308000
  1 1 1     -14  -21   30 o    5.128000      0.5006000       5.554000 0.6406000       4.703000      0.7695000      0.8508000       1.001000
  1 1 1     -14  -20    1 o    7.455000      0.2795000       7.784000 0.3518000       7.125000      0.4345000      0.6583000      0.5591000
  1 1 1     -14  -20    2 o    9.963000      0.2723000       9.716000 0.3611000       10.21000      0.4076000     -0.4936000      0.5446000
  1 1 1     -14  -20    3 o    1.724000      0.5105000       1.626000 0.6697000       1.821000      0.7708000     -0.1954000       1.021000
  1 1 1     -14  -20    4 o    7.555000      0.2519000       7.698000 0.3839000       7.413000      0.3261000      0.2849000      0.5037000
  1 1 1     -14  -20    5 o    4.738000      0.2962000       5.147000 0.3663000       4.330000      0.4657000      0.8174000      0.5925000
  1 1 1     -14  -20    6 o    7.960000      0.2263000       7.987000 0.3163000       7.933000      0.3238000      0.5480000E-01  0.4527000
  1 1 1     -14  -20    7 o    4.546000      0.3233000       4.623000 0.4296000       4.468000      0.4832000      0.1544000      0.6465000
  1 1 1     -14  -20    8 o    1.158000      0.3923000       1.099000 0.5293000       1.218000      0.5791000     -0.1192000      0.7846000
  1 1 1     -14  -20    9 f    7.217000      0.2522000       7.089000 0.3519000       7.344000      0.3615000     -0.2553000      0.5045000
  1 1 1     -14  -20   10 o    5.435000      0.3083000       5.550000 0.3940000       5.319000      0.4742000      0.2304000      0.6165000
  1 1 1     -14  -20   11 o    2.706000      0.5591000       2.892000 0.7406000       2.519000      0.8378000      0.3726000       1.118000
  1 1 1     -14  -20   12 o    7.587000      0.2732000       7.371000 0.3805000       7.803000      0.3923000     -0.4314000      0.5465000
  1 1 1     -14  -20   13 o    4.739000      0.4299000       5.442000 0.4904000       4.037000      0.7062000       1.405000      0.8598000
  1 1 1     -14  -20   14 o    5.885000      0.3121000       5.877000 0.4291000       5.893000      0.4533000     -0.1552000E-01  0.6242000
  1 1 1     -14  -20   15 o    7.689000      0.2954000       7.172000 0.4234000       8.205000      0.4121000      -1.033000      0.5908000
  1 1 1     -14  -20   16 o    7.423000      0.3080000       7.343000 0.4267000       7.504000      0.4444000     -0.1608000      0.6160000
  1 1 1     -14  -20   17 o    2.337000      0.5792000       2.307000 0.8025000       2.367000      0.8354000     -0.5922000E-01   1.158000
  1 1 1     -14  -20   18 o    2.858000      0.6069000       2.314000 0.8594000       3.402000      0.8571000      -1.087000       1.214000
  1 1 1     -14  -20   19 o    2.586000      0.6276000       2.886000 0.8747000       2.287000      0.9002000      0.5984000       1.255000
  1 1 1     -14  -20   20 o    8.847000      0.3072000       8.465000 0.4349000       9.228000      0.4339000     -0.7638000      0.6143000
  1 1 1     -14  -20   21 o    11.95000      0.4077000       11.95000 0.4077000                  ?              ?              ?              ?
  1 1 1     -14  -20   22 o    1.883000      0.5858000       1.748000 0.7942000       2.018000      0.8614000     -0.2699000       1.172000
  1 1 1     -14  -20   23 o    9.114000      0.5936000                  ?       ?   9.114000      0.5936000                  ?              ?
  1 1 1     -14  -20   24 o    3.340000      0.6243000       2.612000 0.9160000       4.068000      0.8483000      -1.456000       1.249000
  1 1 1     -14  -20   25 o    2.907000      0.6348000       3.588000 0.8783000       2.227000      0.9169000       1.360000       1.270000
  1 1 1     -14  -20   26 o    3.394000      0.8369000       3.135000 1.079000       3.653000       1.280000     -0.5176000       1.674000
  1 1 1     -14  -20   27 o    5.614000      0.6612000       4.856000 0.9302000       6.372000      0.9400000      -1.516000       1.322000
  1 1 1     -14  -20   28 o    3.091000      0.7099000       2.947000 1.005000       3.234000       1.003000     -0.2866000       1.420000
  1 1 1     -14  -20   29 o    2.578000      0.6523000       2.060000 0.8757000       3.096000      0.9670000      -1.036000       1.305000
  1 1 1     -14  -20   30 o    4.680000      0.5433000       4.191000 0.8178000       5.168000      0.7153000     -0.9773000       1.087000
  1 1 1     -14  -20   31 o    3.754000      0.6147000       3.104000 0.9529000       4.404000      0.7768000      -1.300000       1.229000
  1 1 1     -14  -19    1 o    6.655000      0.2069000       6.697000 0.2922000       6.614000      0.2931000      0.8309000E-01  0.4138000
  1 1 1     -14  -19    2 o    6.996000      0.2130000       7.316000 0.2928000       6.675000      0.3095000      0.6410000      0.4261000
  1 1 1     -14  -19    3 o    13.59000      0.2310000       13.61000 0.3279000       13.57000      0.3254000      0.3901000E-01  0.4620000
  1 1 1     -14  -19    4 o    4.976000      0.3138000       4.436000 0.3767000       5.516000      0.5020000      -1.081000      0.6276000
  1 1 1     -14  -19    5 o    8.021000      0.2906000       7.419000 0.3859000       8.622000      0.4346000      -1.203000      0.5812000
  1 1 1     -14  -19    6 o    11.34000      0.3035000       11.65000 0.4088000       11.02000      0.4487000      0.6278000      0.6070000
  1 1 1     -14  -19    7 o    3.345000      0.4290000       2.784000 0.6545000       3.905000      0.5547000      -1.121000      0.8580000
  1 1 1     -14  -19    8 o    2.468000      0.5111000       2.724000 0.6718000       2.213000      0.7705000      0.5114000       1.022000
  1 1 1     -14  -19    9 o    4.226000      0.3716000       4.120000 0.5364000       4.332000      0.5143000     -0.2119000      0.7431000
  1 1 1     -14  -19   10 o    3.334000      0.4443000       3.748000 0.5347000       2.921000      0.7097000      0.8271000      0.8886000
  1 1 1     -14  -19   11 o    11.32000      0.2378000       11.40000 0.3363000       11.25000      0.3363000      0.1478000      0.4756000
  1 1 1     -14  -19   12 o    6.583000      0.2802000       6.070000 0.4051000       7.097000      0.3871000      -1.027000      0.5603000
  1 1 1     -14  -19   13 o    13.95000      0.2637000       13.60000 0.3690000       14.30000      0.3769000     -0.7036000      0.5275000
  1 1 1     -14  -19   14 o    6.819000      0.3052000       6.527000 0.4331000       7.111000      0.4302000     -0.5843000      0.6105000
  1 1 1     -14  -19   15 o    4.289000      0.4324000       4.863000 0.5052000       3.714000      0.7019000       1.149000      0.8648000
  1 1 1     -14  -19   16 o    11.25000      0.2645000       11.29000 0.3750000       11.21000      0.3731000      0.7295000E-01  0.5290000
  1 1 1     -14  -19   17 o    7.493000      0.3018000       7.572000 0.4153000       7.414000      0.4380000      0.1576000      0.6036000
  1 1 1     -14  -19   18 f    4.039000      0.4842000       4.140000 0.6569000       3.937000      0.7117000      0.2028000      0.9685000
  1 1 1     -14  -19   19 o    5.434000      0.3793000       5.324000 0.5294000       5.544000      0.5433000     -0.2204000      0.7586000
  1 1 1     -14  -19   20 o    13.72000      0.2806000       13.57000 0.3962000       13.87000      0.3974000     -0.2966000      0.5612000
  1 1 1     -14  -19   21 f    9.423000      0.3059000       9.610000 0.4219000       9.236000      0.4430000      0.3747000      0.6118000
  1 1 1     -14  -19   22 o    4.864000      0.4877000       4.738000 0.7193000       4.991000      0.6587000     -0.2533000      0.9753000
  1 1 1     -14  -19   23 o    6.567000      0.4014000       6.241000 0.6141000       6.892000      0.5170000     -0.6502000      0.8028000
  1 1 1     -14  -19   24 o    3.880000      0.8494000       4.119000 1.282000       3.642000       1.114000      0.4774000       1.699000
  1 1 1     -14  -19   25 o    2.257000      0.6698000       1.783000 0.8027000       2.732000       1.073000     -0.9485000       1.340000
  1 1 1     -14  -19   26 o    8.730000      0.3424000       8.300000 0.4832000       9.160000      0.4853000     -0.8596000      0.6848000
  1 1 1     -14  -19   27 o    7.509000      0.5623000       7.667000 0.6653000       7.352000      0.9067000      0.3149000       1.125000
  1 1 1     -14  -19   28 o    3.847000      0.8059000       3.896000 1.053000       3.798000       1.220000      0.9757000E-01   1.612000
  1 1 1     -14  -19   29 o    3.253000      0.6555000       3.335000 0.9127000       3.171000      0.9411000      0.1643000       1.311000
  1 1 1     -14  -19   30 o    3.388000      0.6550000       2.691000 0.9759000       4.084000      0.8740000      -1.393000       1.310000
  1 1 1     -14  -19   31 f    6.479000      0.4243000       6.885000 0.5599000       6.072000      0.6378000      0.8130000      0.8487000
  1 1 1     -14  -19   32 o    4.415000      0.5976000       4.090000 0.9107000       4.741000      0.7742000     -0.6512000       1.195000
  1 1 1     -14  -18    1 o    1.834000      0.5180000       1.577000 0.7380000       2.090000      0.7270000     -0.5135000       1.036000
  1 1 1     -14  -18    2 o    4.318000      0.5001000       3.837000 0.8564000       4.798000      0.5167000     -0.9610000       1.000000
  1 1 1     -14  -18    3 o    10.15000      0.3155000       10.61000 0.4788000       9.694000      0.4111000      0.9108000      0.6311000
  1 1 1     -14  -18    4 o    2.569000      0.4362000       3.186000 0.5437000       1.951000      0.6823000       1.235000      0.8725000
  1 1 1     -14  -18    5 o    7.418000      0.2212000       7.587000 0.3082000       7.248000      0.3174000      0.3389000      0.4425000
  1 1 1     -14  -18    6 o    7.191000      0.2285000       7.211000 0.3098000       7.171000      0.3359000      0.4028000E-01  0.4570000
  1 1 1     -14  -18    7 o    1.274000      0.4315000       1.204000 0.5751000       1.344000      0.6433000     -0.1403000      0.8629000
  1 1 1     -14  -18    8 o    2.659000      0.5562000       2.165000 0.7372000       3.152000      0.8332000     -0.9869000       1.112000
  1 1 1     -14  -18    9 o    2.369000      0.5343000       2.579000 0.7382000       2.159000      0.7727000      0.4199000       1.069000
  1 1 1     -14  -18   10 o    8.411000      0.2413000       8.034000 0.3411000       8.789000      0.3415000     -0.7548000      0.4827000
  1 1 1     -14  -18   11 o    15.54000      0.2663000       15.18000 0.3736000       15.90000      0.3797000     -0.7134000      0.5327000
  1 1 1     -14  -18   12 o    10.69000      0.2421000       10.72000 0.3387000       10.65000      0.3461000      0.7498000E-01  0.4843000
  1 1 1     -14  -18   13 o    8.576000      0.2701000       8.433000 0.3747000       8.719000      0.3891000     -0.2868000      0.5402000
  1 1 1     -14  -18   14 o    5.270000      0.3673000       5.649000 0.4463000       4.890000      0.5834000      0.7595000      0.7346000
  1 1 1     -14  -18   15 o    9.089000      0.2638000       9.015000 0.3644000       9.163000      0.3816000     -0.1475000      0.5277000
  1 1 1     -14  -18   16 o    2.418000      0.5780000       1.725000 0.7505000       3.110000      0.8794000      -1.385000       1.156000
  1 1 1     -14  -18   17 o    5.139000      0.3727000       5.329000 0.4995000       4.949000      0.5532000      0.3804000      0.7454000
  1 1 1     -14  -18   18 o    8.681000      0.2803000       8.517000 0.3976000       8.846000      0.3951000     -0.3290000      0.5605000
  1 1 1     -14  -18   19 o    11.35000      0.2725000       11.11000 0.3872000       11.59000      0.3834000     -0.4799000      0.5449000
  1 1 1     -14  -18   20 o    12.98000      0.2768000       12.88000 0.3906000       13.08000      0.3925000     -0.1956000      0.5537000
  1 1 1     -14  -18   21 o    6.754000      0.3376000       7.160000 0.4591000       6.348000      0.4950000      0.8116000      0.6751000
  1 1 1     -14  -18   22 o    2.184000      0.5765000       2.849000 0.9030000       1.519000      0.7169000       1.330000       1.153000
  1 1 1     -14  -18   23 o    6.224000      0.3868000       6.568000 0.5371000       5.880000      0.5569000      0.6878000      0.7737000
  1 1 1     -14  -18   24 o    2.235000      0.6096000       1.677000 0.7703000       2.792000      0.9450000      -1.115000       1.219000
  1 1 1     -14  -18   25 o    6.841000      0.5881000       6.697000 0.9429000       6.985000      0.7030000     -0.2887000       1.176000
  1 1 1     -14  -18   26 o    7.961000      0.3518000       8.912000 0.4655000       7.011000      0.5275000       1.901000      0.7035000
  1 1 1     -14  -18   27 o    7.336000      0.3892000       7.782000 0.4872000       6.889000      0.6070000      0.8925000      0.7784000
  1 1 1     -14  -18   28 o    2.213000      0.6961000       2.350000 0.9822000       2.076000      0.9867000      0.2741000       1.392000
  1 1 1     -14  -18   29 o    2.860000      0.7494000       3.024000 1.028000       2.697000       1.090000      0.3273000       1.499000
  1 1 1     -14  -18   30 o    3.990000      0.6355000       4.309000 0.8627000       3.670000      0.9333000      0.6390000       1.271000
  1 1 1     -14  -18   31 o    2.803000      0.6753000       3.051000 0.9432000       2.555000      0.9667000      0.4961000       1.351000
  1 1 1     -14  -18   32 o    2.297000      0.6183000       2.852000 0.9443000       1.742000      0.7985000       1.110000       1.237000
  1 1 1     -14  -17    1 o    6.502000      0.2105000       6.448000 0.3003000       6.557000      0.2951000     -0.1087000      0.4210000
  1 1 1     -14  -17    2 o    3.827000      0.3090000       3.810000 0.4206000       3.843000      0.4527000     -0.3258000E-01  0.6179000
  1 1 1     -14  -17    3 o    3.259000      0.3834000       2.744000 0.6130000       3.774000      0.4605000      -1.030000      0.7667000
  1 1 1     -14  -17    4 o    4.141000      0.4948000       4.450000 0.7315000       3.833000      0.6665000      0.6163000      0.9896000
  1 1 1     -14  -17    5 o    12.59000      0.3303000       13.00000 0.4886000       12.18000      0.4444000      0.8165000      0.6605000
  1 1 1     -14  -17    6 f    14.61000      0.2460000       14.76000 0.3473000       14.45000      0.3485000      0.3077000      0.4921000
  1 1 1     -14  -17    7 o    3.971000      0.3510000       3.747000 0.5228000       4.195000      0.4686000     -0.4480000      0.7020000
  1 1 1     -14  -17    8 o    4.627000      0.2997000       4.614000 0.4031000       4.641000      0.4436000     -0.2760000E-01  0.5994000
  1 1 1     -14  -17    9 o    7.533000      0.3258000       8.128000 0.4099000       6.937000      0.5065000       1.191000      0.6516000
  1 1 1     -14  -17   10 o    3.098000      0.5841000       2.985000 0.7704000       3.212000      0.8782000     -0.2270000       1.168000
  1 1 1     -14  -17   11 o    10.23000      0.2400000       10.28000 0.3408000       10.18000      0.3381000      0.1012000      0.4801000
  1 1 1     -14  -17   12 o    9.495000      0.2496000       9.295000 0.3522000       9.696000      0.3539000     -0.4005000      0.4993000
  1 1 1     -14  -17   13 o    5.073000      0.3504000       5.410000 0.4374000       4.735000      0.5475000      0.6754000      0.7008000
  1 1 1     -14  -17   14 o    7.005000      0.2819000       6.611000 0.3986000       7.399000      0.3987000     -0.7873000      0.5638000
  1 1 1     -14  -17   15 o    11.01000      0.2602000       11.04000 0.3638000       10.97000      0.3722000      0.7537000E-01  0.5205000
  1 1 1     -14  -17   16 o    8.285000      0.2806000       7.923000 0.3999000       8.647000      0.3938000     -0.7240000      0.5612000
  1 1 1     -14  -17   17 o    9.140000      0.2681000       9.353000 0.3763000       8.927000      0.3818000      0.4258000      0.5361000
  1 1 1     -14  -17   18 o    6.261000      0.3250000       6.249000 0.4637000       6.272000      0.4555000     -0.2295000E-01  0.6500000
  1 1 1     -14  -17   19 o    14.19000      0.2777000       14.47000 0.3919000       13.91000      0.3936000      0.5603000      0.5555000
  1 1 1     -14  -17   20 o    7.422000      0.3271000       6.792000 0.4871000       8.052000      0.4366000      -1.260000      0.6541000
  1 1 1     -14  -17   21 o    8.691000      0.3007000       8.372000 0.4306000       9.009000      0.4197000     -0.6369000      0.6013000
  1 1 1     -14  -17   22 o    5.854000      0.5502000       5.854000 0.5502000                  ?              ?              ?              ?
  1 1 1     -14  -17   23 o    8.665000      0.3698000       8.701000 0.4491000       8.629000      0.5876000      0.7196000E-01  0.7396000
  1 1 1     -14  -17   24 o    5.159000      0.6470000                  ?       ?   5.159000      0.6470000                  ?              ?
  1 1 1     -14  -17   25 o    5.921000      0.4132000       5.922000 0.5910000       5.921000      0.5776000      0.9680000E-03  0.8263000
  1 1 1     -14  -17   26 o    3.042000      0.7789000       2.949000 1.132000       3.135000       1.070000     -0.1858000       1.558000
  1 1 1     -14  -17   27 o    6.879000      0.3968000       7.209000 0.5446000       6.548000      0.5773000      0.6602000      0.7936000
  1 1 1     -14  -17   28 o    2.429000      0.6826000       2.633000 0.9763000       2.226000      0.9544000      0.4074000       1.365000
  1 1 1     -14  -17   29 o    2.501000      0.7620000       2.248000 0.9705000       2.754000       1.175000     -0.5054000       1.524000
  1 1 1     -14  -17   30 o    3.585000      0.6970000       4.349000 1.013000       2.822000      0.9578000       1.528000       1.394000
  1 1 1     -14  -17   31 o    3.468000      0.6794000       3.475000 0.9461000       3.461000      0.9754000      0.1372000E-01   1.359000
  1 1 1     -14  -17   32 o    2.493000      0.6691000       2.360000 0.9259000       2.625000      0.9661000     -0.2649000       1.338000
  1 1 1     -14  -17   33 o    3.894000      0.7350000       3.787000 1.173000       4.001000      0.8857000     -0.2146000       1.470000
  1 1 1     -14  -16    1 o    9.527000      0.1995000       9.528000 0.2810000       9.526000      0.2831000      0.2601000E-02  0.3989000
  1 1 1     -14  -16    2 o    9.258000      0.2047000       9.158000 0.2901000       9.358000      0.2888000     -0.1997000      0.4093000
  1 1 1     -14  -16    3 o    4.262000      0.2904000       3.957000 0.4125000       4.566000      0.4089000     -0.6091000      0.5808000
  1 1 1     -14  -16    4 o    13.70000      0.2331000       13.76000 0.3296000       13.65000      0.3298000      0.1130000      0.4663000
  1 1 1     -14  -16    5 o    13.91000      0.2361000       13.82000 0.3340000       14.00000      0.3337000     -0.1799000      0.4722000
  1 1 1     -14  -16    6 o    14.25000      0.3508000       13.66000 0.5015000       14.84000      0.4908000      -1.183000      0.7017000
  1 1 1     -14  -16    7 o    3.681000      0.5287000       3.896000 0.7783000       3.466000      0.7158000      0.4298000       1.057000
  1 1 1     -14  -16    8 o    10.63000      0.2231000       10.87000 0.3108000       10.39000      0.3200000      0.4711000      0.4462000
  1 1 1     -14  -16    9 o    6.989000      0.2426000       7.044000 0.3391000       6.933000      0.3471000      0.1106000      0.4853000
  1 1 1     -14  -16   10 o    2.729000      0.5672000       2.711000 0.7528000       2.748000      0.8486000     -0.3757000E-01   1.134000
  1 1 1     -14  -16   11 o    11.56000      0.3226000       12.12000 0.4434000       10.99000      0.4686000       1.126000      0.6451000
  1 1 1     -14  -16   12 o    8.326000      0.2463000       8.430000 0.3483000       8.221000      0.3484000      0.2090000      0.4926000
  1 1 1     -14  -16   13 o    3.680000      0.4577000       3.275000 0.6982000       4.085000      0.5921000     -0.8101000      0.9155000
  1 1 1     -14  -16   14 o    2.776000      0.5577000       2.552000 0.7840000       3.001000      0.7935000     -0.4484000       1.115000
  1 1 1     -14  -16   15 o    2.972000      0.5043000       2.967000 0.7103000       2.977000      0.7161000     -0.9752000E-02   1.009000
  1 1 1     -14  -16   16 o    8.440000      0.2850000       8.039000 0.4031000       8.840000      0.4030000     -0.8015000      0.5700000
  1 1 1     -14  -16   17 o    10.88000      0.2675000       10.69000 0.3796000       11.07000      0.3769000     -0.3773000      0.5349000
  1 1 1     -14  -16   18 o    13.43000      0.2693000       13.40000 0.3843000       13.45000      0.3774000     -0.4532000E-01  0.5386000
  1 1 1     -14  -16   19 o    7.167000      0.3126000       6.746000 0.4435000       7.588000      0.4407000     -0.8414000      0.6252000
  1 1 1     -14  -16   20 o    5.541000      0.3783000       5.497000 0.5305000       5.585000      0.5395000     -0.8887000E-01  0.7567000
  1 1 1     -14  -16   21 o    15.76000      0.2898000       15.86000 0.4099000       15.66000      0.4097000      0.1989000      0.5796000
  1 1 1     -14  -16   22 o    5.425000      0.5797000       5.425000 0.5797000                  ?              ?              ?              ?
  1 1 1     -14  -16   23 o    14.81000      0.2926000       14.80000 0.4173000       14.82000      0.4102000     -0.1986000E-01  0.5851000
  1 1 1     -14  -16   24 o    4.647000      0.6913000                  ?       ?   4.647000      0.6913000                  ?              ?
  1 1 1     -14  -16   25 o    4.982000      0.4721000       5.207000 0.6567000       4.757000      0.6784000      0.4497000      0.9442000
  1 1 1     -14  -16   26 o    6.488000      0.4910000       7.125000 0.8206000       5.850000      0.5394000       1.275000      0.9820000
  1 1 1     -14  -16   27 o    3.762000      0.7282000       2.437000 1.093000       5.087000      0.9621000      -2.650000       1.456000
  1 1 1     -14  -16   28 o    2.868000      0.6952000       2.463000 0.9536000       3.273000       1.012000     -0.8099000       1.390000
  1 1 1     -14  -16   29 o    4.813000      0.5602000       4.397000 0.8272000       5.229000      0.7557000     -0.8324000       1.120000
  1 1 1     -14  -16   30 o    3.328000      0.7938000       3.931000 1.111000       2.725000       1.134000       1.207000       1.588000
  1 1 1     -14  -16   31 o    3.176000      0.6729000       3.837000 0.9444000       2.515000      0.9586000       1.322000       1.346000
  1 1 1     -14  -16   32 o    2.364000      0.6339000       2.979000 0.9755000       1.748000      0.8096000       1.231000       1.268000
  1 1 1     -14  -16   33 o    1.805000      0.5719000       1.660000 0.7744000       1.950000      0.8419000     -0.2901000       1.144000
  1 1 1     -14  -15    1 o    13.52000      0.2229000       13.08000 0.3101000       13.95000      0.3203000     -0.8720000      0.4458000
  1 1 1     -14  -15    2 o    11.63000      0.2116000       11.43000 0.2975000       11.83000      0.3008000     -0.3948000      0.4231000
  1 1 1     -14  -15    3 o    10.05000      0.2034000       9.863000 0.2859000       10.24000      0.2895000     -0.3769000      0.4069000
  1 1 1     -14  -15    4 o    8.891000      0.2073000       8.826000 0.2928000       8.956000      0.2936000     -0.1302000      0.4146000
  1 1 1     -14  -15    5 o    8.123000      0.2114000       7.906000 0.3034000       8.339000      0.2946000     -0.4333000      0.4229000
  1 1 1     -14  -15    6 o    3.530000      0.3938000       4.024000 0.4675000       3.035000      0.6337000      0.9889000      0.7875000
  1 1 1     -14  -15    7 o    8.985000      0.3350000       8.234000 0.5081000       9.735000      0.4367000      -1.501000      0.6700000
  1 1 1     -14  -15    8 o    6.014000      0.3703000       5.834000 0.5660000       6.195000      0.4776000     -0.3601000      0.7405000
  1 1 1     -14  -15    9 o    1.344000      0.4343000       1.266000 0.5920000       1.422000      0.6356000     -0.1558000      0.8686000
  1 1 1     -14  -15   10 o    12.31000      0.2354000       12.43000 0.3358000       12.18000      0.3299000      0.2506000      0.4707000
  1 1 1     -14  -15   11 o    8.216000      0.2873000       8.130000 0.3224000       8.301000      0.4758000     -0.1714000      0.5747000
  1 1 1     -14  -15   12 o    2.929000      0.5590000       3.748000 0.6973000       2.109000      0.8740000       1.638000       1.118000
  1 1 1     -14  -15   13 o    5.957000      0.3042000       5.523000 0.4496000       6.391000      0.4099000     -0.8683000      0.6084000
  1 1 1     -14  -15   14 o    1.555000      0.4830000       1.391000 0.6378000       1.719000      0.7256000     -0.3281000      0.9661000
  1 1 1     -14  -15   15 o    6.401000      0.2976000       6.324000 0.4152000       6.478000      0.4264000     -0.1532000      0.5952000
  1 1 1     -14  -15   16 o    8.830000      0.2566000       9.143000 0.3561000       8.516000      0.3695000      0.6270000      0.5131000
  1 1 1     -14  -15   17 o    9.325000      0.2655000       9.592000 0.3743000       9.058000      0.3767000      0.5337000      0.5311000
  1 1 1     -14  -15   18 o    15.91000      0.2808000       15.68000 0.3958000       16.14000      0.3985000     -0.4633000      0.5617000
  1 1 1     -14  -15   19 o    3.256000      0.5422000       2.214000 0.8472000       4.298000      0.6770000      -2.084000       1.084000
  1 1 1     -14  -15   20 o    5.165000      0.3856000       5.298000 0.5396000       5.032000      0.5510000      0.2662000      0.7712000
  1 1 1     -14  -15   21 o    8.364000      0.2911000       8.131000 0.4246000       8.596000      0.3983000     -0.4659000      0.5822000
  1 1 1     -14  -15   22 o    7.472000      0.3103000       7.429000 0.4377000       7.516000      0.4400000     -0.8756000E-01  0.6206000
  1 1 1     -14  -15   23 o    15.38000      0.2914000       15.12000 0.4172000       15.65000      0.4069000     -0.5348000      0.5828000
  1 1 1     -14  -15   24 o    2.912000      0.6134000       3.438000 0.8279000       2.385000      0.9054000       1.052000       1.227000
  1 1 1     -14  -15   25 o    3.219000      0.6360000       3.021000 0.9277000       3.418000      0.8702000     -0.3970000       1.272000
  1 1 1     -14  -15   26 o    7.043000      0.3545000       6.955000 0.5049000       7.131000      0.4976000     -0.1757000      0.7089000
  1 1 1     -14  -15   27 o    3.712000      0.7554000       2.868000 1.154000       4.556000      0.9755000      -1.689000       1.511000
  1 1 1     -14  -15   28 o    3.787000      0.8512000       3.258000 1.269000       4.317000       1.135000      -1.059000       1.702000
  1 1 1     -14  -15   29 o    5.504000      0.4890000       4.997000 0.7175000       6.010000      0.6646000      -1.013000      0.9780000
  1 1 1     -14  -15   30 o    2.606000      0.7269000       3.135000 1.094000       2.078000      0.9574000       1.057000       1.454000
  1 1 1     -14  -15   31 o    5.348000      0.6777000       5.730000 0.9042000       4.966000       1.010000      0.7644000       1.355000
  1 1 1     -14  -15   32 o    1.884000      0.5981000       1.834000 0.8379000       1.934000      0.8538000     -0.1000000       1.196000
  1 1 1     -14  -15   33 o    3.065000      0.6503000       3.589000 0.8992000       2.540000      0.9397000       1.048000       1.301000
  1 1 1     -14  -14    1 o    9.597000      0.1953000       9.398000 0.2767000       9.796000      0.2758000     -0.3976000      0.3907000
  1 1 1     -14  -14    2 o    5.434000      0.2261000       5.319000 0.3202000       5.548000      0.3195000     -0.2290000      0.4523000
  1 1 1     -14  -14    3 o    18.32000      0.2744000       18.88000 0.3966000       17.75000      0.3794000       1.123000      0.5489000
  1 1 1     -14  -14    4 o    6.828000      0.2238000       7.101000 0.3080000       6.555000      0.3246000      0.5469000      0.4475000
  1 1 1     -14  -14    5 o    15.46000      0.2477000       15.65000 0.3535000       15.27000      0.3471000      0.3776000      0.4954000
  1 1 1     -14  -14    6 o    2.640000      0.4531000       2.372000 0.6902000       2.908000      0.5873000     -0.5358000      0.9062000
  1 1 1     -14  -14    7 o    6.646000      0.2272000       6.498000 0.3202000       6.793000      0.3224000     -0.2949000      0.4544000
  1 1 1     -14  -14    8 o    6.765000      0.2473000       7.004000 0.3328000       6.525000      0.3660000      0.4789000      0.4946000
  1 1 1     -14  -14    9 o    8.115000      0.3336000       8.518000 0.5003000       7.713000      0.4415000      0.8055000      0.6673000
  1 1 1     -14  -14   10 f    12.03000      0.2862000       11.45000 0.3199000       12.61000      0.4746000      -1.163000      0.5723000
  1 1 1     -14  -14   11 o    7.721000      0.2408000       7.692000 0.3382000       7.749000      0.3428000     -0.5626000E-01  0.4816000
  1 1 1     -14  -14   12 o    3.687000      0.4009000       4.159000 0.4925000       3.215000      0.6327000      0.9432000      0.8018000
  1 1 1     -14  -14   13 o    5.949000      0.3832000       5.191000 0.5631000       6.707000      0.5199000      -1.517000      0.7664000
  1 1 1     -14  -14   14 o    5.025000      0.3499000       5.164000 0.4772000       4.885000      0.5119000      0.2799000      0.6998000
  1 1 1     -14  -14   15 o    1.757000      0.5067000       2.071000 0.7633000       1.442000      0.6665000      0.6297000       1.013000
  1 1 1     -14  -14   16 o    11.97000      0.2490000       11.94000 0.3507000       12.01000      0.3537000     -0.6531000E-01  0.4981000
  1 1 1     -14  -14   17 o    4.268000      0.4197000       4.704000 0.5360000       3.832000      0.6460000      0.8720000      0.8394000
  1 1 1     -14  -14   18 o    12.72000      0.2622000       12.66000 0.3685000       12.79000      0.3731000     -0.1244000      0.5244000
  1 1 1     -14  -14   19 o    11.89000      0.2647000       12.02000 0.3714000       11.76000      0.3772000      0.2560000      0.5294000
  1 1 1     -14  -14   20 o    11.79000      0.2628000       11.65000 0.3706000       11.93000      0.3726000     -0.2796000      0.5255000
  1 1 1     -14  -14   21 o    7.168000      0.3166000       6.990000 0.4558000       7.345000      0.4395000     -0.3547000      0.6332000
  1 1 1     -14  -14   22 o    12.87000      0.2740000       13.31000 0.3903000       12.43000      0.3846000      0.8799000      0.5480000
  1 1 1     -14  -14   23 o    14.68000      0.2833000       14.89000 0.4031000       14.47000      0.3983000      0.4255000      0.5667000
  1 1 1     -14  -14   24 o    8.410000      0.3084000       8.305000 0.4348000       8.514000      0.4375000     -0.2091000      0.6168000
  1 1 1     -14  -14   25 o    4.285000      0.5120000       4.340000 0.7039000       4.230000      0.7436000      0.1104000       1.024000
  1 1 1     -14  -14   26 o    5.854000      0.4247000       6.121000 0.5863000       5.588000      0.6147000      0.5326000      0.8495000
  1 1 1     -14  -14   27 f    4.762000      0.5031000       4.575000 0.7544000       4.949000      0.6657000     -0.3740000       1.006000
  1 1 1     -14  -14   28 o    2.988000      0.7964000       2.721000 1.144000       3.256000       1.109000     -0.5351000       1.593000
  1 1 1     -14  -14   29 o    3.556000      0.6253000       4.203000 0.7597000       2.909000      0.9935000       1.294000       1.251000
  1 1 1     -14  -14   30 o    6.800000      0.4167000       7.584000 0.5273000       6.015000      0.6453000       1.568000      0.8334000
  1 1 1     -14  -14   31 o    3.783000      0.7451000       2.487000 1.048000       5.080000       1.059000      -2.592000       1.490000
  1 1 1     -14  -14   32 o    3.505000      0.6150000       4.638000 0.8002000       2.372000      0.9341000       2.266000       1.230000
  1 1 1     -14  -14   33 o    3.368000      0.6605000       2.816000 0.9627000       3.921000      0.9045000      -1.105000       1.321000
  1 1 1     -14  -14   34 f    2.158000      0.6312000       2.038000 0.8762000       2.279000      0.9086000     -0.2414000       1.262000
  1 1 1     -14  -13    1 o    4.776000      0.2454000       4.719000 0.3388000       4.833000      0.3551000     -0.1136000      0.4908000
  1 1 1     -14  -13    2 o    7.523000      0.1998000       7.922000 0.2768000       7.124000      0.2883000      0.7975000      0.3997000
  1 1 1     -14  -13    3 o    9.876000      0.2020000       9.678000 0.2842000       10.07000      0.2870000     -0.3956000      0.4040000
  1 1 1     -14  -13    4 o    12.63000      0.2198000       12.90000 0.3157000       12.36000      0.3060000      0.5433000      0.4396000
  1 1 1     -14  -13    5 o    7.727000      0.2135000       7.584000 0.3026000       7.870000      0.3011000     -0.2857000      0.4270000
  1 1 1     -14  -13    6 o    9.747000      0.2129000       9.924000 0.2974000       9.571000      0.3046000      0.3526000      0.4257000
  1 1 1     -14  -13    7 o    11.53000      0.2225000       11.64000 0.3127000       11.42000      0.3165000      0.2275000      0.4449000
  1 1 1     -14  -13    8 o    4.591000      0.3043000       4.804000 0.4098000       4.377000      0.4500000      0.4270000      0.6086000
  1 1 1     -14  -13    9 o    9.572000      0.2223000       9.698000 0.3092000       9.445000      0.3195000      0.2522000      0.4446000
  1 1 1     -14  -13   10 o    8.764000      0.3320000       8.936000 0.4926000       8.591000      0.4453000      0.3444000      0.6640000
  1 1 1     -14  -13   11 o    12.54000      0.2882000       12.77000 0.3330000       12.30000      0.4704000      0.4744000      0.5763000
  1 1 1     -14  -13   12 o    4.530000      0.3323000       3.855000 0.4959000       5.205000      0.4424000      -1.351000      0.6645000
  1 1 1     -14  -13   13 o    4.676000      0.4737000       4.819000 0.5870000       4.532000      0.7438000      0.2871000      0.9475000
  1 1 1     -14  -13   14 o    1.553000      0.5063000       1.192000 0.5810000       1.913000      0.8293000     -0.7208000       1.013000
  1 1 1     -14  -13   15 o    5.400000      0.3310000       5.079000 0.4909000       5.722000      0.4441000     -0.6435000      0.6620000
  1 1 1     -14  -13   16 o    10.38000      0.2525000       10.10000 0.3594000       10.67000      0.3546000     -0.5663000      0.5049000
  1 1 1     -14  -13   17 o    8.353000      0.2640000       8.172000 0.3826000       8.535000      0.3638000     -0.3638000      0.5280000
  1 1 1     -14  -13   18 o    10.14000      0.2620000       10.13000 0.3708000       10.15000      0.3703000     -0.2103000E-01  0.5241000
  1 1 1     -14  -13   19 o    12.50000      0.2644000       12.84000 0.3744000       12.15000      0.3733000      0.6927000      0.5287000
  1 1 1     -14  -13   20 o    21.11000      0.3299000       20.94000 0.4652000       21.29000      0.4680000     -0.3479000      0.6599000
  1 1 1     -14  -13   21 o    9.364000      0.2819000       9.447000 0.3952000       9.281000      0.4023000      0.1661000      0.5639000
  1 1 1     -14  -13   22 o    8.256000      0.2911000       7.957000 0.4249000       8.556000      0.3980000     -0.5993000      0.5822000
  1 1 1     -14  -13   23 o    10.43000      0.3224000       10.17000 0.4017000       10.69000      0.5045000     -0.5235000      0.6449000
  1 1 1     -14  -13   24 o    7.058000      0.3427000       7.589000 0.4560000       6.528000      0.5117000       1.061000      0.6854000
  1 1 1     -14  -13   25 o    3.263000      0.6051000       3.418000 0.8128000       3.108000      0.8968000      0.3094000       1.210000
  1 1 1     -14  -13   26 o    5.004000      0.4712000       5.220000 0.6345000       4.787000      0.6969000      0.4338000      0.9425000
  1 1 1     -14  -13   27 o    4.814000      0.4869000       5.385000 0.6007000       4.243000      0.7664000       1.141000      0.9738000
  1 1 1     -14  -13   28 o    1.944000      0.6477000       1.982000 0.9414000       1.906000      0.8898000      0.7551000E-01   1.295000
  1 1 1     -14  -13   29 o    6.512000      0.5030000       6.859000 0.8305000       6.165000      0.5677000      0.6940000       1.006000
  1 1 1     -14  -13   30 o    9.346000      0.3361000       9.563000 0.4599000       9.128000      0.4904000      0.4348000      0.6723000
  1 1 1     -14  -13   31 o    2.783000      0.7756000       2.903000 1.055000       2.663000       1.137000      0.2401000       1.551000
  1 1 1     -14  -13   32 o    3.108000      0.6530000       3.365000 0.9244000       2.851000      0.9226000      0.5138000       1.306000
  1 1 1     -14  -13   33 o    2.921000      0.6705000       2.530000 0.9427000       3.313000      0.9538000     -0.7827000       1.341000
  1 1 1     -14  -13   34 o    3.406000      0.6264000       2.761000 0.9523000       4.051000      0.8141000      -1.290000       1.253000
  1 1 1     -14  -12    1 o    14.83000      0.2335000       14.79000 0.3301000       14.87000      0.3302000     -0.8043000E-01  0.4669000
  1 1 1     -14  -12    2 f    5.799000      0.2133000       5.794000 0.2988000       5.804000      0.3044000     -0.1034000E-01  0.4266000
  1 1 1     -14  -12    3 o    2.122000      0.4470000       2.001000 0.6150000       2.243000      0.6487000     -0.2424000      0.8939000
  1 1 1     -14  -12    4 o    9.365000      0.2024000       9.281000 0.2870000       9.449000      0.2853000     -0.1679000      0.4047000
  1 1 1     -14  -12    5 o    8.246000      0.2066000       8.444000 0.2988000       8.047000      0.2852000      0.3975000      0.4131000
  1 1 1     -14  -12    6 o    9.064000      0.2097000       8.649000 0.2930000       9.479000      0.3000000     -0.8303000      0.4193000
  1 1 1     -14  -12    7 o    13.79000      0.2356000       14.06000 0.3356000       13.52000      0.3306000      0.5390000      0.4711000
  1 1 1     -14  -12    8 o    8.050000      0.2226000       7.776000 0.3124000       8.323000      0.3171000     -0.5478000      0.4451000
  1 1 1     -14  -12    9 o    6.359000      0.2496000       6.180000 0.3602000       6.538000      0.3456000     -0.3576000      0.4991000
  1 1 1     -14  -12   10 o    9.102000      0.2288000       8.909000 0.3243000       9.294000      0.3228000     -0.3854000      0.4576000
  1 1 1     -14  -12   11 o    12.18000      0.3377000       12.65000 0.4942000       11.72000      0.4605000      0.9343000      0.6755000
  1 1 1     -14  -12   12 o    5.733000      0.2926000       6.262000 0.3817000       5.204000      0.4435000       1.058000      0.5851000
  1 1 1     -14  -12   13 o    5.858000      0.2818000       5.706000 0.4006000       6.011000      0.3964000     -0.3052000      0.5636000
  1 1 1     -14  -12   14 o    6.681000      0.3482000       6.174000 0.4842000       7.188000      0.5005000      -1.014000      0.6964000
  1 1 1     -14  -12   15 o    2.406000      0.6244000       2.169000 0.8467000       2.643000      0.9178000     -0.4741000       1.249000
  1 1 1     -14  -12   16 o    3.553000      0.4818000       3.303000 0.7046000       3.804000      0.6574000     -0.5009000      0.9636000
  1 1 1     -14  -12   17 o    10.50000      0.2545000       10.81000 0.3581000       10.18000      0.3617000      0.6298000      0.5090000
  1 1 1     -14  -12   18 o    4.127000      0.4286000       3.846000 0.6390000       4.409000      0.5715000     -0.5628000      0.8573000
  1 1 1     -14  -12   19 o    17.10000      0.2903000       16.93000 0.4110000       17.27000      0.4101000     -0.3434000      0.5806000
  1 1 1     -14  -12   20 o    8.560000      0.2876000       8.450000 0.4065000       8.671000      0.4070000     -0.2206000      0.5753000
  1 1 1     -14  -12   21 o    8.723000      0.2846000       8.082000 0.4180000       9.364000      0.3862000      -1.282000      0.5691000
  1 1 1     -14  -12   22 o    9.446000      0.2744000       9.695000 0.3891000       9.197000      0.3870000      0.4981000      0.5488000
  1 1 1     -14  -12   23 o    3.993000      0.7332000       3.993000 0.7332000                  ?              ?              ?              ?
  1 1 1     -14  -12   24 o    2.955000      0.6106000       2.989000 0.8650000       2.920000      0.8619000      0.6865000E-01   1.221000
  1 1 1     -14  -12   25 o    7.516000      0.4740000                  ?       ?   7.516000      0.4740000                  ?              ?
  1 1 1     -14  -12   26 o    5.852000      0.3861000       5.480000 0.5638000       6.225000      0.5277000     -0.7452000      0.7722000
  1 1 1     -14  -12   27 o    5.373000      0.4457000       5.395000 0.6288000       5.351000      0.6319000      0.4377000E-01  0.8915000
  1 1 1     -14  -12   28 o    1.434000      0.4738000       1.553000 0.6998000       1.315000      0.6388000      0.2372000      0.9475000
  1 1 1     -14  -12   29 o    6.985000      0.5495000       6.698000 0.8709000       7.273000      0.6703000     -0.5746000       1.099000
  1 1 1     -14  -12   30 o    7.811000      0.3625000       8.400000 0.4776000       7.222000      0.5454000       1.178000      0.7250000
  1 1 1     -14  -12   31 o    2.808000      0.7861000       2.557000 1.033000       3.060000       1.185000     -0.5034000       1.572000
  1 1 1     -14  -12   32 o    1.987000      0.6509000       1.877000 0.8787000       2.098000      0.9604000     -0.2203000       1.302000
  1 1 1     -14  -12   33 o    4.870000      0.5269000       4.423000 0.8046000       5.317000      0.6806000     -0.8943000       1.054000
  1 1 1     -14  -12   34 o    2.340000      0.6429000       2.135000 0.8792000       2.545000      0.9382000     -0.4100000       1.286000
  1 1 1     -14  -11    1 o    12.28000      0.2106000       12.40000 0.2990000       12.16000      0.2965000      0.2370000      0.4211000
  1 1 1     -14  -11    2 o    6.046000      0.2071000       5.827000 0.3038000       6.266000      0.2816000     -0.4393000      0.4142000
  1 1 1     -14  -11    3 o    6.665000      0.2010000       6.883000 0.2805000       6.447000      0.2880000      0.4360000      0.4020000
  1 1 1     -14  -11    4 o    20.00000      0.2922000       19.96000 0.4122000       20.03000      0.4143000     -0.7484000E-01  0.5844000
  1 1 1     -14  -11    5 o    15.43000      0.2447000       15.51000 0.3479000       15.35000      0.3443000      0.1604000      0.4895000
  1 1 1     -14  -11    6 o    1.732000      0.4531000       2.007000 0.6635000       1.457000      0.6172000      0.5506000      0.9062000
  1 1 1     -14  -11    7 o    4.835000      0.2785000       4.302000 0.4304000       5.368000      0.3536000      -1.066000      0.5570000
  1 1 1     -14  -11    8 o    4.645000      0.2923000       4.471000 0.4268000       4.818000      0.3994000     -0.3469000      0.5845000
  1 1 1     -14  -11    9 o    2.250000      0.5047000       2.262000 0.7068000       2.237000      0.7208000      0.2474000E-01   1.009000
  1 1 1     -14  -11   10 o    7.411000      0.2295000       7.498000 0.3303000       7.324000      0.3186000      0.1739000      0.4589000
  1 1 1     -14  -11   11 o    5.165000      0.4158000       5.709000 0.5718000       4.620000      0.6038000       1.089000      0.8316000
  1 1 1     -14  -11   12 o    4.276000      0.5099000       4.818000 0.6854000       3.734000      0.7551000       1.084000       1.020000
  1 1 1     -14  -11   13 o    2.256000      0.5208000       2.204000 0.7274000       2.308000      0.7455000     -0.1040000       1.042000
  1 1 1     -14  -11   14 o    2.048000      0.5207000       2.262000 0.7316000       1.834000      0.7410000      0.4284000       1.041000
  1 1 1     -14  -11   15 o    5.554000      0.4276000       4.895000 0.6171000       6.213000      0.5922000      -1.318000      0.8552000
  1 1 1     -14  -11   16 f    1.893000      0.5258000       1.574000 0.6970000       2.213000      0.7874000     -0.6388000       1.052000
  1 1 1     -14  -11   17 o    1.713000      0.5105000       1.817000 0.7404000       1.609000      0.7030000      0.2079000       1.021000
  1 1 1     -14  -11   18 o    8.958000      0.2684000       8.702000 0.3818000       9.214000      0.3772000     -0.5123000      0.5367000
  1 1 1     -14  -11   19 f    7.760000      0.2826000       7.674000 0.4003000       7.847000      0.3991000     -0.1734000      0.5653000
  1 1 1     -14  -11   20 o    3.796000      0.4933000       3.053000 0.7795000       4.539000      0.6049000      -1.487000      0.9867000
  1 1 1     -14  -11   21 f    8.221000      0.2888000       8.363000 0.4098000       8.079000      0.4070000      0.2842000      0.5776000
  1 1 1     -14  -11   22 o    8.790000      0.3395000       9.434000 0.3808000       8.146000      0.5622000       1.289000      0.6790000
  1 1 1     -14  -11   23 o    5.881000      0.3460000       6.280000 0.5144000       5.482000      0.4629000      0.7978000      0.6920000
  1 1 1     -14  -11   24 o    7.159000      0.3246000       6.829000 0.4761000       7.489000      0.4414000     -0.6601000      0.6492000
  1 1 1     -14  -11   25 o    9.376000      0.4092000                  ?       ?   9.376000      0.4092000                  ?              ?
  1 1 1     -14  -11   26 o    8.360000      0.3220000       8.524000 0.4530000       8.196000      0.4576000      0.3282000      0.6439000
  1 1 1     -14  -11   27 o    6.959000      0.3466000       6.913000 0.5007000       7.004000      0.4793000     -0.9160000E-01  0.6931000
  1 1 1     -14  -11   28 o    2.606000      0.6190000       3.265000 0.9075000       1.947000      0.8422000       1.318000       1.238000
  1 1 1     -14  -11   30 o    2.499000      0.6303000       3.161000 0.9492000       1.837000      0.8294000       1.323000       1.261000
  1 1 1     -14  -11   31 o    9.085000      0.3426000       9.022000 0.4870000       9.147000      0.4819000     -0.1244000      0.6851000
  1 1 1     -14  -11   32 o    2.426000      0.7395000       2.540000 1.052000       2.313000       1.040000      0.2272000       1.479000
  1 1 1     -14  -11   33 o    4.885000      0.5259000       4.861000 0.7500000       4.909000      0.7373000     -0.4879000E-01   1.052000
  1 1 1     -14  -11   34 o    2.565000      0.6565000       2.364000 0.9236000       2.767000      0.9333000     -0.4029000       1.313000
  1 1 1     -14  -10    1 o    7.078000      0.1922000       7.073000 0.2692000       7.082000      0.2743000     -0.8956000E-02  0.3843000
  1 1 1     -14  -10    2 o    2.327000      0.4025000       2.229000 0.5702000       2.425000      0.5682000     -0.1956000      0.8049000
  1 1 1     -14  -10    3 o    11.14000      0.2497000       10.76000 0.2821000       11.53000      0.4122000     -0.7623000      0.4994000
  1 1 1     -14  -10    4 o    9.706000      0.2005000       9.800000 0.2849000       9.612000      0.2823000      0.1876000      0.4011000
  1 1 1     -14  -10    5 o    12.91000      0.2211000       13.54000 0.3220000       12.27000      0.3031000       1.268000      0.4422000
  1 1 1     -14  -10    6 o    3.310000      0.3385000       3.748000 0.4253000       2.872000      0.5268000      0.8762000      0.6770000
  1 1 1     -14  -10    7 o    13.54000      0.2303000       13.21000 0.3236000       13.86000      0.3279000     -0.6477000      0.4607000
  1 1 1     -14  -10    8 o    3.715000      0.3377000       3.945000 0.4608000       3.485000      0.4939000      0.4606000      0.6755000
  1 1 1     -14  -10    9 o    3.146000      0.4223000       3.600000 0.5230000       2.691000      0.6631000      0.9084000      0.8446000
  1 1 1     -14  -10   10 o    5.466000      0.2748000       5.106000 0.4090000       5.825000      0.3671000     -0.7184000      0.5496000
  1 1 1     -14  -10   11 o    5.562000      0.2718000       5.401000 0.3848000       5.723000      0.3839000     -0.3221000      0.5436000
  1 1 1     -14  -10   12 o    7.536000      0.3482000       7.582000 0.5063000       7.491000      0.4782000      0.9105000E-01  0.6964000
  1 1 1     -14  -10   13 o    6.343000      0.2742000       6.808000 0.3598000       5.878000      0.4137000      0.9306000      0.5483000
  1 1 1     -14  -10   14 o    3.630000      0.4392000       4.041000 0.5512000       3.218000      0.6840000      0.8233000      0.8784000
  1 1 1     -14  -10   15 o    4.896000      0.4866000       5.449000 0.5767000       4.344000      0.7838000       1.105000      0.9731000
  1 1 1     -14  -10   16 o    1.716000      0.5458000       1.859000 0.8017000       1.573000      0.7409000      0.2864000       1.092000
  1 1 1     -14  -10   17 o    4.254000      0.3969000       4.068000 0.5848000       4.440000      0.5367000     -0.3717000      0.7938000
  1 1 1     -14  -10   18 o    7.842000      0.2731000       7.664000 0.3833000       8.020000      0.3890000     -0.3556000      0.5461000
  1 1 1     -14  -10   19 o    8.426000      0.2699000       8.316000 0.3847000       8.537000      0.3786000     -0.2207000      0.5397000
  1 1 1     -14  -10   20 o    6.288000      0.3267000       6.317000 0.4588000       6.260000      0.4653000      0.5665000E-01  0.6535000
  1 1 1     -14  -10   21 o    3.744000      0.5039000       3.562000 0.7527000       3.926000      0.6702000     -0.3636000       1.008000
  1 1 1     -14  -10   22 o    11.20000      0.2698000       11.16000 0.3802000       11.24000      0.3828000     -0.7889000E-01  0.5395000
  1 1 1     -14  -10   23 f    18.82000      0.3107000       18.64000 0.4385000       18.99000      0.4403000     -0.3514000      0.6214000
  1 1 1     -14  -10   24 o    8.290000      0.3015000       8.078000 0.4346000       8.503000      0.4181000     -0.4252000      0.6030000
  1 1 1     -14  -10   25 o    8.675000      0.3003000       8.693000 0.4229000       8.657000      0.4266000      0.3563000E-01  0.6007000
  1 1 1     -14  -10   26 o    5.650000      0.4054000       5.698000 0.5610000       5.601000      0.5854000      0.9690000E-01  0.8108000
  1 1 1     -14  -10   27 o    4.930000      0.4811000       5.114000 0.6544000       4.747000      0.7054000      0.3665000      0.9622000
  1 1 1     -14  -10   28 o    6.769000      0.3822000       6.860000 0.5357000       6.678000      0.5452000      0.1822000      0.7643000
  1 1 1     -14  -10   29 o    5.476000      0.6574000       5.961000 0.9331000       4.992000      0.9264000      0.9693000       1.315000
  1 1 1     -14  -10   30 o    3.042000      0.6825000       3.131000 0.9664000       2.953000      0.9642000      0.1778000       1.365000
  1 1 1     -14  -10   31 o    8.313000      0.3557000       8.215000 0.5011000       8.411000      0.5048000     -0.1965000      0.7113000
  1 1 1     -14  -10   32 o    4.267000      0.7731000       3.210000 1.133000       5.325000       1.052000      -2.115000       1.546000
  1 1 1     -14  -10   33 o    5.578000      0.4586000       5.343000 0.6740000       5.813000      0.6219000     -0.4701000      0.9171000
  1 1 1     -14  -10   34 o    2.533000      0.6672000       2.611000 0.9606000       2.454000      0.9261000      0.1572000       1.334000
  1 1 1     -14  -10   35 o    2.999000      0.6584000       3.181000 0.9241000       2.817000      0.9379000      0.3648000       1.317000
  1 1 1     -14   -9    1 o    5.391000      0.2074000       5.545000 0.2804000       5.238000      0.3056000      0.3066000      0.4147000
  1 1 1     -14   -9    2 o    7.886000      0.1904000       7.770000 0.2702000       8.002000      0.2683000     -0.2320000      0.3807000
  1 1 1     -14   -9    3 o    11.40000      0.2044000       11.60000 0.2933000       11.19000      0.2847000      0.4137000      0.4088000
  1 1 1     -14   -9    4 o    6.624000      0.2026000       6.627000 0.2901000       6.620000      0.2829000      0.6837000E-02  0.4052000
  1 1 1     -14   -9    5 o    3.139000      0.3494000       3.093000 0.4910000       3.186000      0.4972000     -0.9378000E-01  0.6987000
  1 1 1     -14   -9    6 o    5.118000      0.2376000       4.944000 0.3495000       5.292000      0.3219000     -0.3475000      0.4751000
  1 1 1     -14   -9    7 o    12.42000      0.2195000       12.36000 0.3097000       12.48000      0.3110000     -0.1216000      0.4389000
  1 1 1     -14   -9    8 o    6.859000      0.2206000       6.879000 0.3059000       6.839000      0.3179000      0.4011000E-01  0.4412000
  1 1 1     -14   -9    9 o    7.597000      0.2212000       7.604000 0.3138000       7.590000      0.3118000      0.1388000E-01  0.4424000
  1 1 1     -14   -9   10 o    15.85000      0.3192000       16.09000 0.5278000       15.62000      0.3593000      0.4693000      0.6385000
  1 1 1     -14   -9   11 o    5.619000      0.2638000       5.821000 0.3529000       5.417000      0.3922000      0.4040000      0.5276000
  1 1 1     -14   -9   12 o    5.896000      0.3830000       5.600000 0.5708000       6.192000      0.5107000     -0.5915000      0.7659000
  1 1 1     -14   -9   13 o    4.996000      0.4407000       4.619000 0.7024000       5.374000      0.5323000     -0.7550000      0.8813000
  1 1 1     -14   -9   14 o    14.30000      0.2531000       13.97000 0.3542000       14.64000      0.3616000     -0.6721000      0.5062000
  1 1 1     -14   -9   15 o    5.558000      0.2779000       5.651000 0.3924000       5.465000      0.3935000      0.1861000      0.5557000
  1 1 1     -14   -9   16 o    7.650000      0.3693000       8.224000 0.4766000       7.077000      0.5643000       1.147000      0.7387000
  1 1 1     -14   -9   17 o    7.653000      0.2747000       7.852000 0.3805000       7.454000      0.3964000      0.3982000      0.5495000
  1 1 1     -14   -9   18 o    1.534000      0.4876000       1.636000 0.7161000       1.432000      0.6619000      0.2039000      0.9752000
  1 1 1     -14   -9   19 o    2.197000      0.5636000       2.287000 0.7994000       2.107000      0.7948000      0.1804000       1.127000
  1 1 1     -14   -9   20 o    7.195000      0.3044000       6.593000 0.4493000       7.798000      0.4107000      -1.205000      0.6087000
  1 1 1     -14   -9   21 o    16.09000      0.2827000       16.04000 0.4012000       16.15000      0.3983000     -0.1017000      0.5653000
  1 1 1     -14   -9   22 o    11.57000      0.2664000       12.03000 0.3810000       11.11000      0.3723000      0.9215000      0.5327000
  1 1 1     -14   -9   23 o    13.13000      0.2732000       13.20000 0.3913000       13.06000      0.3813000      0.1415000      0.5464000
  1 1 1     -14   -9   24 o    6.258000      0.3498000       6.094000 0.5079000       6.422000      0.4812000     -0.3279000      0.6996000
  1 1 1     -14   -9   25 o    9.489000      0.2942000       9.664000 0.4129000       9.314000      0.4193000      0.3492000      0.5885000
  1 1 1     -14   -9   26 o    2.328000      0.6299000       2.565000 0.9159000       2.091000      0.8649000      0.4745000       1.260000
  1 1 1     -14   -9   27 o    8.519000      0.3177000       8.646000 0.4503000       8.393000      0.4484000      0.2531000      0.6355000
  1 1 1     -14   -9   28 o    5.584000      0.4247000       5.704000 0.5977000       5.465000      0.6035000      0.2383000      0.8494000
  1 1 1     -14   -9   29 o    5.929000      0.6289000       5.221000 1.037000       6.637000      0.7114000      -1.415000       1.258000
  1 1 1     -14   -9   30 o    6.875000      0.3951000       6.759000 0.5722000       6.990000      0.5448000     -0.2306000      0.7901000
  1 1 1     -14   -9   31 o    5.210000      0.5098000       5.256000 0.7089000       5.163000      0.7329000      0.9365000E-01   1.020000
  1 1 1     -14   -9   32 o    6.282000      0.6612000       7.131000 0.7319000       5.434000       1.101000       1.697000       1.322000
  1 1 1     -14   -9   33 o    4.659000      0.5475000       4.429000 0.8205000       4.889000      0.7251000     -0.4601000       1.095000
  1 1 1     -14   -9   34 o    4.222000      0.5980000       3.816000 0.9341000       4.627000      0.7468000     -0.8109000       1.196000
  1 1 1     -14   -9   35 o    2.339000      0.6468000       2.454000 0.9309000       2.225000      0.8983000      0.2290000       1.294000
  1 1 1     -14   -8    1 o    7.855000      0.1860000       7.905000 0.2643000       7.804000      0.2617000      0.1015000      0.3719000
  1 1 1     -14   -8    2 o    10.01000      0.1926000       10.21000 0.2739000       9.820000      0.2707000      0.3875000      0.3851000
  1 1 1     -14   -8    3 o    6.118000      0.2043000       6.163000 0.2922000       6.074000      0.2856000      0.8952000E-01  0.4085000
  1 1 1     -14   -8    4 o    12.82000      0.2158000       12.60000 0.3031000       13.05000      0.3073000     -0.4527000      0.4316000
  1 1 1     -14   -8    5 o    6.584000      0.2070000       6.772000 0.2861000       6.396000      0.2992000      0.3759000      0.4140000
  1 1 1     -14   -8    6 o    6.456000      0.2119000       6.393000 0.2925000       6.519000      0.3068000     -0.1259000      0.4239000
  1 1 1     -14   -8    7 o    9.781000      0.2070000       9.771000 0.2912000       9.792000      0.2943000     -0.2075000E-01  0.4140000
  1 1 1     -14   -8    8 o    14.17000      0.2355000       14.30000 0.3358000       14.04000      0.3304000      0.2588000      0.4710000
  1 1 1     -14   -8    9 o    6.651000      0.2877000       6.493000 0.3171000       6.810000      0.4801000     -0.3162000      0.5754000
  1 1 1     -14   -8   10 o    15.96000      0.2574000       15.64000 0.3598000       16.28000      0.3683000     -0.6336000      0.5149000
  1 1 1     -14   -8   11 o    8.436000      0.2231000       8.031000 0.3153000       8.841000      0.3156000     -0.8096000      0.4461000
  1 1 1     -14   -8   12 o    8.541000      0.3240000       8.481000 0.4748000       8.601000      0.4410000     -0.1201000      0.6480000
  1 1 1     -14   -8   13 o    1.888000      0.5650000       2.075000 0.8426000       1.701000      0.7529000      0.3740000       1.130000
  1 1 1     -14   -8   14 o    9.162000      0.2353000       9.027000 0.3391000       9.298000      0.3263000     -0.2709000      0.4706000
  1 1 1     -14   -8   15 o    5.360000      0.3046000       4.994000 0.4571000       5.726000      0.4028000     -0.7321000      0.6092000
  1 1 1     -14   -8   16 o    11.48000      0.3426000       11.74000 0.4760000       11.22000      0.4930000      0.5146000      0.6853000
  1 1 1     -14   -8   17 o    6.806000      0.2778000       6.409000 0.4112000       7.202000      0.3737000     -0.7932000      0.5557000
  1 1 1     -14   -8   18 o    6.060000      0.3079000       5.719000 0.4445000       6.401000      0.4263000     -0.6820000      0.6159000
  1 1 1     -14   -8   19 o    9.126000      0.2613000       9.121000 0.3719000       9.132000      0.3672000     -0.1075000E-01  0.5226000
  1 1 1     -14   -8   20 o    11.98000      0.2620000       12.31000 0.3744000       11.65000      0.3666000      0.6562000      0.5240000
  1 1 1     -14   -8   21 o    10.62000      0.2628000       10.57000 0.3720000       10.67000      0.3714000     -0.9523000E-01  0.5257000
  1 1 1     -14   -8   22 o    3.617000      0.5287000       3.399000 0.7758000       3.835000      0.7185000     -0.4361000       1.057000
  1 1 1     -14   -8   23 o    10.48000      0.2672000       10.60000 0.3804000       10.36000      0.3754000      0.2376000      0.5345000
  1 1 1     -14   -8   24 o    13.05000      0.3874000       13.05000 0.3874000                  ?              ?              ?              ?
  1 1 1     -14   -8   25 o    4.979000      0.4384000       4.922000 0.6331000       5.036000      0.6065000     -0.1139000      0.8767000
  1 1 1     -14   -8   26 o    6.243000      0.5235000                  ?       ?   6.243000      0.5235000                  ?              ?
  1 1 1     -14   -8   27 o    5.952000      0.4052000       5.342000 0.6221000       6.561000      0.5195000      -1.219000      0.8104000
  1 1 1     -14   -8   28 o    3.527000      0.6079000       4.068000 0.7964000       2.986000      0.9188000       1.081000       1.216000
  1 1 1     -14   -8   29 o    9.317000      0.4503000       9.255000 0.6701000       9.380000      0.6018000     -0.1243000      0.9007000
  1 1 1     -14   -8   30 o    3.023000      0.6725000       3.550000 0.9391000       2.496000      0.9628000       1.053000       1.345000
  1 1 1     -14   -8   31 o    4.295000      0.5922000       4.418000 0.8109000       4.171000      0.8634000      0.2468000       1.184000
  1 1 1     -14   -8   32 o    4.080000      0.7804000       4.837000 1.007000       3.324000       1.192000       1.512000       1.561000
  1 1 1     -14   -8   33 o    2.756000      0.6723000       3.068000 0.9614000       2.445000      0.9400000      0.6229000       1.345000
  1 1 1     -14   -8   34 o    5.293000      0.4752000       5.520000 0.6647000       5.066000      0.6792000      0.4539000      0.9504000
  1 1 1     -14   -8   35 o    2.133000      0.6086000       2.594000 0.9378000       1.673000      0.7759000      0.9212000       1.217000
  1 1 1     -14   -7    1 o    17.78000      0.2619000       17.27000 0.3623000       18.29000      0.3783000      -1.023000      0.5238000
  1 1 1     -14   -7    2 o    5.362000      0.2101000       5.793000 0.2820000       4.931000      0.3116000      0.8625000      0.4203000
  1 1 1     -14   -7    3 o    4.482000      0.2367000       4.665000 0.3258000       4.299000      0.3435000      0.3654000      0.4734000
  1 1 1     -14   -7    4 o    12.65000      0.2604000       13.13000 0.3085000       12.16000      0.4195000      0.9708000      0.5208000
  1 1 1     -14   -7    5 o    10.78000      0.2023000       10.84000 0.2850000       10.73000      0.2870000      0.1011000      0.4045000
  1 1 1     -14   -7    6 o    8.893000      0.2003000       9.037000 0.2876000       8.749000      0.2788000      0.2886000      0.4005000
  1 1 1     -14   -7    7 o    17.11000      0.2625000       17.27000 0.3743000       16.94000      0.3680000      0.3302000      0.5249000
  1 1 1     -14   -7    8 o    9.732000      0.2080000       9.331000 0.2957000       10.13000      0.2925000     -0.8007000      0.4160000
  1 1 1     -14   -7    9 o    8.164000      0.2093000       7.838000 0.2997000       8.491000      0.2924000     -0.6531000      0.4187000
  1 1 1     -14   -7   10 o    4.573000      0.2947000       4.470000 0.4292000       4.677000      0.4040000     -0.2069000      0.5894000
  1 1 1     -14   -7   11 o    7.308000      0.2301000       7.310000 0.3258000       7.306000      0.3249000      0.3776000E-02  0.4601000
  1 1 1     -14   -7   12 o    5.905000      0.3095000       5.972000 0.5118000       5.838000      0.3480000      0.1345000      0.6190000
  1 1 1     -14   -7   13 o    5.199000      0.4169000       5.152000 0.6259000       5.247000      0.5507000     -0.9504000E-01  0.8337000
  1 1 1     -14   -7   14 o    3.654000      0.4102000       3.198000 0.6489000       4.110000      0.5021000     -0.9118000      0.8205000
  1 1 1     -14   -7   15 o    2.829000      0.5156000       3.162000 0.7015000       2.496000      0.7558000      0.6659000       1.031000
  1 1 1     -14   -7   16 o    3.363000      0.6234000       3.135000 0.8986000       3.590000      0.8642000     -0.4550000       1.247000
  1 1 1     -14   -7   17 o    5.540000      0.3234000       5.254000 0.4719000       5.825000      0.4422000     -0.5714000      0.6467000
  1 1 1     -14   -7   18 o    11.34000      0.2486000       11.43000 0.3557000       11.24000      0.3475000      0.1901000      0.4973000
  1 1 1     -14   -7   19 o    3.545000      0.4846000       4.012000 0.6086000       3.079000      0.7544000      0.9334000      0.9693000
  1 1 1     -14   -7   20 o    8.716000      0.2698000       8.567000 0.3833000       8.865000      0.3797000     -0.2981000      0.5396000
  1 1 1     -14   -7   21 o    6.874000      0.3094000       6.662000 0.4438000       7.085000      0.4312000     -0.4233000      0.6188000
  1 1 1     -14   -7   22 o    1.793000      0.5396000       1.715000 0.7519000       1.871000      0.7740000     -0.1559000       1.079000
  1 1 1     -14   -7   23 f    3.037000      0.5643000       3.642000 0.7526000       2.431000      0.8409000       1.211000       1.129000
  1 1 1     -14   -7   24 o    8.200000      0.4227000       8.200000 0.4227000                  ?              ?              ?              ?
  1 1 1     -14   -7   25 o    2.309000      0.6031000       2.713000 0.9007000       1.905000      0.8023000      0.8083000       1.206000
  1 1 1     -14   -7   26 o    5.575000      0.5515000                  ?       ?   5.575000      0.5515000                  ?              ?
  1 1 1     -14   -7   27 o    5.319000      0.4290000       5.316000 0.6215000       5.322000      0.5914000     -0.5833000E-02  0.8580000
  1 1 1     -14   -7   28 o    3.752000      0.5713000       4.415000 0.7187000       3.089000      0.8883000       1.327000       1.143000
  1 1 1     -14   -7   29 o    5.735000      0.6073000       4.836000 1.011000       6.634000      0.6738000      -1.797000       1.215000
  1 1 1     -14   -7   30 o    6.213000      0.4294000       5.908000 0.6313000       6.517000      0.5821000     -0.6085000      0.8587000
  1 1 1     -14   -7   31 o    2.465000      0.6742000       2.428000 0.9449000       2.503000      0.9619000     -0.7459000E-01   1.348000
  1 1 1     -14   -7   32 o    2.850000      0.7818000       2.748000 1.065000       2.952000       1.145000     -0.2039000       1.564000
  1 1 1     -14   -7   33 o    5.703000      0.4487000       5.802000 0.6172000       5.603000      0.6514000      0.1995000      0.8973000
  1 1 1     -14   -7   34 o    3.330000      0.6394000       2.598000 0.9581000       4.062000      0.8471000      -1.464000       1.279000
  1 1 1     -14   -7   35 f    3.264000      0.6497000       3.335000 0.9162000       3.193000      0.9214000      0.1414000       1.299000
  1 1 1     -14   -6    1 o    12.34000      0.2050000       12.81000 0.2964000       11.88000      0.2832000      0.9282000      0.4099000
  1 1 1     -14   -6    2 f    6.985000      0.1871000       7.043000 0.2658000       6.927000      0.2633000      0.1159000      0.3741000
  1 1 1     -14   -6    3 o    2.289000      0.4016000       2.236000 0.5787000       2.341000      0.5571000     -0.1056000      0.8033000
  1 1 1     -14   -6    4 o    6.958000      0.1960000       6.701000 0.2817000       7.214000      0.2725000     -0.5135000      0.3919000
  1 1 1     -14   -6    5 o    12.57000      0.2147000       12.72000 0.3072000       12.42000      0.2998000      0.3015000      0.4293000
  1 1 1     -14   -6    6 o    12.54000      0.2170000       13.16000 0.3154000       11.92000      0.2981000       1.241000      0.4340000
  1 1 1     -14   -6    7 o    6.160000      0.2184000       6.656000 0.2994000       5.665000      0.3182000      0.9915000      0.4369000
  1 1 1     -14   -6    8 o    6.456000      0.2181000       6.459000 0.3125000       6.453000      0.3044000      0.5098000E-02  0.4363000
  1 1 1     -14   -6    9 o    4.913000      0.2648000       4.792000 0.3859000       5.034000      0.3628000     -0.2425000      0.5297000
  1 1 1     -14   -6   10 o    4.357000      0.2935000       4.255000 0.4331000       4.459000      0.3962000     -0.2040000      0.5869000
  1 1 1     -14   -6   11 o    2.265000      0.4453000       1.580000 0.6506000       2.950000      0.6082000      -1.370000      0.8907000
  1 1 1     -14   -6   12 o    9.621000      0.2216000       9.534000 0.3187000       9.709000      0.3079000     -0.1744000      0.4431000
  1 1 1     -14   -6   13 f    8.327000      0.3256000       8.428000 0.4708000       8.225000      0.4500000      0.2030000      0.6513000
  1 1 1     -14   -6   14 o    6.762000      0.2522000       6.494000 0.3611000       7.029000      0.3522000     -0.5347000      0.5044000
  1 1 1     -14   -6   15 f    6.368000      0.2676000       6.316000 0.3835000       6.420000      0.3732000     -0.1037000      0.5351000
  1 1 1     -14   -6   16 o    8.509000      0.3421000       8.261000 0.4836000       8.756000      0.4838000     -0.4948000      0.6841000
  1 1 1     -14   -6   17 o    10.46000      0.2455000       10.52000 0.3518000       10.39000      0.3425000      0.1310000      0.4909000
  1 1 1     -14   -6   18 o    11.96000      0.2500000       12.19000 0.3545000       11.74000      0.3526000      0.4594000      0.5000000
  1 1 1     -14   -6   19 o    1.840000      0.5115000       2.303000 0.7962000       1.377000      0.6422000      0.9258000       1.023000
  1 1 1     -14   -6   20 o    4.285000      0.4508000       3.766000 0.6985000       4.803000      0.5700000      -1.037000      0.9015000
  1 1 1     -14   -6   21 o    8.376000      0.2805000       7.980000 0.4111000       8.772000      0.3817000     -0.7920000      0.5610000
  1 1 1     -14   -6   22 o    2.780000      0.5320000       1.922000 0.7934000       3.638000      0.7088000      -1.716000       1.064000
  1 1 1     -14   -6   23 o    3.002000      0.5433000       2.175000 0.8328000       3.829000      0.6979000      -1.654000       1.087000
  1 1 1     -14   -6   24 o    4.496000      0.4351000       4.444000 0.6255000       4.547000      0.6051000     -0.1033000      0.8703000
  1 1 1     -14   -6   25 o    9.007000      0.2871000       8.967000 0.4085000       9.046000      0.4036000     -0.7961000E-01  0.5742000
  1 1 1     -14   -6   26 o    3.714000      0.5335000       2.996000 0.8427000       4.432000      0.6546000      -1.437000       1.067000
  1 1 1     -14   -6   27 o    4.294000      0.5319000       4.361000 0.7609000       4.228000      0.7434000      0.1332000       1.064000
  1 1 1     -14   -6   28 o    7.884000      0.3346000       8.302000 0.4683000       7.466000      0.4781000      0.8358000      0.6692000
  1 1 1     -14   -6   29 f    3.536000      0.7734000       3.528000 1.139000       3.543000       1.046000     -0.1531000E-01   1.547000
  1 1 1     -14   -6   30 o    9.046000      0.3321000       8.860000 0.4723000       9.231000      0.4671000     -0.3709000      0.6643000
  1 1 1     -14   -6   31 o    4.811000      0.5189000       4.647000 0.7467000       4.974000      0.7206000     -0.3266000       1.038000
  1 1 1     -14   -6   32 f    2.862000      0.7329000       3.725000 1.125000       2.000000      0.9392000       1.725000       1.466000
  1 1 1     -14   -6   33 o    3.744000      0.6112000       3.788000 0.8595000       3.700000      0.8691000      0.8823000E-01   1.222000
  1 1 1     -14   -6   34 o    1.519000      0.5123000       1.585000 0.7492000       1.453000      0.6989000      0.1320000       1.025000
  1 1 1     -14   -6   35 o    3.900000      0.5930000       4.019000 0.8466000       3.780000      0.8307000      0.2390000       1.186000
  1 1 1     -14   -5    1 o    7.497000      0.1798000       7.198000 0.2538000       7.796000      0.2549000     -0.5985000      0.3597000
  1 1 1     -14   -5    2 o    6.965000      0.1848000       7.273000 0.2646000       6.657000      0.2579000      0.6164000      0.3695000
  1 1 1     -14   -5    3 o    10.15000      0.1925000       10.15000 0.2729000       10.15000      0.2716000      0.3449000E-02  0.3850000
  1 1 1     -14   -5    4 o    16.55000      0.2509000       16.72000 0.3582000       16.37000      0.3512000      0.3448000      0.5017000
  1 1 1     -14   -5    5 o    25.89000      0.3635000       25.88000 0.5139000       25.90000      0.5141000     -0.2169000E-01  0.7269000
  1 1 1     -14   -5    6 o    12.79000      0.2181000       12.61000 0.3063000       12.96000      0.3105000     -0.3584000      0.4361000
  1 1 1     -14   -5    7 o    7.756000      0.2062000       7.833000 0.2948000       7.680000      0.2883000      0.1528000      0.4124000
  1 1 1     -14   -5    8 o    11.65000      0.2159000       11.82000 0.3066000       11.48000      0.3039000      0.3369000      0.4317000
  1 1 1     -14   -5    9 o    4.151000      0.2958000       3.664000 0.4615000       4.638000      0.3702000     -0.9738000      0.5917000
  1 1 1     -14   -5   10 o    10.99000      0.2179000       11.51000 0.3118000       10.48000      0.3046000       1.027000      0.4358000
  1 1 1     -14   -5   11 o    14.70000      0.2474000       14.91000 0.3531000       14.48000      0.3466000      0.4380000      0.4948000
  1 1 1     -14   -5   12 o    7.518000      0.2323000       7.707000 0.3290000       7.328000      0.3280000      0.3794000      0.4646000
  1 1 1     -14   -5   14 o    3.051000      0.4489000       3.183000 0.6196000       2.920000      0.6496000      0.2627000      0.8978000
  1 1 1     -14   -5   15 o    3.434000      0.4133000       3.253000 0.6131000       3.616000      0.5543000     -0.3630000      0.8265000
  1 1 1     -14   -5   16 o    2.346000      0.5724000       2.958000 0.8451000       1.735000      0.7722000       1.223000       1.145000
  1 1 1     -14   -5   17 o    5.413000      0.3147000       5.888000 0.4175000       4.938000      0.4709000      0.9498000      0.6293000
  1 1 1     -14   -5   18 o    6.066000      0.2941000       6.231000 0.4124000       5.900000      0.4194000      0.3306000      0.5882000
  1 1 1     -14   -5   19 o    7.505000      0.2692000       7.557000 0.3788000       7.454000      0.3825000      0.1034000      0.5383000
  1 1 1     -14   -5   20 o    9.685000      0.2576000       9.415000 0.3698000       9.956000      0.3588000     -0.5410000      0.5153000
  1 1 1     -14   -5   21 o    16.98000      0.2887000       16.50000 0.4056000       17.46000      0.4111000     -0.9545000      0.5775000
  1 1 1     -14   -5   22 o    15.18000      0.3356000       15.28000 0.5488000       15.08000      0.3865000      0.2022000      0.6712000
  1 1 1     -14   -5   23 o    7.959000      0.2901000       8.011000 0.4085000       7.907000      0.4121000      0.1042000      0.5802000
  1 1 1     -14   -5   24 o    9.168000      0.2786000       9.134000 0.3970000       9.201000      0.3909000     -0.6689000E-01  0.5571000
  1 1 1     -14   -5   25 o    12.54000      0.2743000       12.75000 0.3870000       12.33000      0.3889000      0.4137000      0.5486000
  1 1 1     -14   -5   26 o    5.867000      0.3804000       5.385000 0.5796000       6.349000      0.4929000     -0.9635000      0.7608000
  1 1 1     -14   -5   27 o    5.465000      0.4528000       4.387000 0.7481000       6.544000      0.5102000      -2.157000      0.9055000
  1 1 1     -14   -5   28 o    6.089000      0.3902000       5.832000 0.5831000       6.346000      0.5186000     -0.5132000      0.7803000
  1 1 1     -14   -5   29 o    8.750000      0.4405000       8.008000 0.6763000       9.492000      0.5646000      -1.484000      0.8810000
  1 1 1     -14   -5   30 o    4.133000      0.5935000       4.246000 0.8202000       4.021000      0.8580000      0.2245000       1.187000
  1 1 1     -14   -5   31 o    2.214000      0.6378000       2.181000 0.8929000       2.247000      0.9110000     -0.6636000E-01   1.276000
  1 1 1     -14   -5   32 o    3.387000      0.7991000       2.792000 1.102000       3.982000       1.158000      -1.190000       1.598000
  1 1 1     -14   -5   33 o    3.202000      0.6381000       3.654000 0.8898000       2.750000      0.9148000      0.9040000       1.276000
  1 1 1     -14   -5   34 o    2.123000      0.6215000       2.021000 0.8703000       2.225000      0.8875000     -0.2039000       1.243000
  1 1 1     -14   -5   35 o    3.665000      0.6070000       4.147000 0.8090000       3.182000      0.9053000      0.9650000       1.214000
  1 1 1     -14   -4    1 f    3.232000      0.2855000       3.035000 0.4265000       3.428000      0.3796000     -0.3935000      0.5710000
  1 1 1     -14   -4    2 o    1.935000      0.4088000       1.941000 0.5733000       1.930000      0.5830000      0.1094000E-01  0.8176000
  1 1 1     -14   -4    3 o    19.12000      0.2789000       19.25000 0.3971000       18.99000      0.3916000      0.2671000      0.5577000
  1 1 1     -14   -4    4 o    10.75000      0.1974000       10.67000 0.2777000       10.82000      0.2806000     -0.1506000      0.3948000
  1 1 1     -14   -4    5 o    23.83000      0.3378000       23.65000 0.4741000       24.00000      0.4813000     -0.3480000      0.6755000
  1 1 1     -14   -4    6 o    18.02000      0.2703000       18.27000 0.3862000       17.76000      0.3784000      0.5139000      0.5406000
  1 1 1     -14   -4    7 o    14.61000      0.2367000       14.49000 0.3334000       14.73000      0.3360000     -0.2385000      0.4734000
  1 1 1     -14   -4    8 o    12.99000      0.2241000       13.14000 0.3198000       12.85000      0.3139000      0.2861000      0.4481000
  1 1 1     -14   -4    9 o    1.511000      0.4309000       1.338000 0.5829000       1.684000      0.6347000     -0.3456000      0.8618000
  1 1 1     -14   -4   10 o    9.821000      0.2156000       9.492000 0.3047000       10.15000      0.3050000     -0.6588000      0.4312000
  1 1 1     -14   -4   11 o    10.77000      0.2200000       10.39000 0.3088000       11.16000      0.3133000     -0.7667000      0.4399000
  1 1 1     -14   -4   12 o    4.091000      0.4696000       3.875000 0.7027000       4.306000      0.6230000     -0.4317000      0.9391000
  1 1 1     -14   -4   13 o    9.484000      0.3142000       10.04000 0.4539000       8.923000      0.4347000       1.122000      0.6285000
  1 1 1     -14   -4   14 o    6.643000      0.2596000       6.105000 0.3882000       7.180000      0.3448000      -1.075000      0.5192000
  1 1 1     -14   -4   15 o    3.527000      0.4011000       4.201000 0.4751000       2.853000      0.6465000       1.349000      0.8022000
  1 1 1     -14   -4   16 o    4.181000      0.5132000       3.736000 0.7720000       4.626000      0.6763000     -0.8892000       1.026000
  1 1 1     -14   -4   17 o    3.500000      0.4694000       3.195000 0.7123000       3.806000      0.6115000     -0.6115000      0.9388000
  1 1 1     -14   -4   18 o    7.325000      0.2621000       7.074000 0.3789000       7.576000      0.3624000     -0.5017000      0.5243000
  1 1 1     -14   -4   19 o    3.432000      0.4904000       3.393000 0.6927000       3.471000      0.6943000     -0.7894000E-01  0.9808000
  1 1 1     -14   -4   20 f    9.465000      0.2566000       9.548000 0.3633000       9.382000      0.3626000      0.1662000      0.5133000
  1 1 1     -14   -4   21 o    2.025000      0.5446000       1.834000 0.7610000       2.216000      0.7793000     -0.3815000       1.089000
  1 1 1     -14   -4   22 o    2.584000      0.5790000       2.756000 0.8039000       2.411000      0.8336000      0.3451000       1.158000
  1 1 1     -14   -4   23 o    17.70000      0.2969000       17.06000 0.4103000       18.33000      0.4291000      -1.269000      0.5937000
  1 1 1     -14   -4   24 o    8.439000      0.3476000       8.722000 0.5689000       8.156000      0.3997000      0.5655000      0.6953000
  1 1 1     -14   -4   25 o    6.142000      0.4123000       6.224000 0.5057000       6.061000      0.6513000      0.1630000      0.8246000
  1 1 1     -14   -4   26 o    10.13000      0.2820000       10.04000 0.3998000       10.21000      0.3977000     -0.1651000      0.5639000
  1 1 1     -14   -4   27 o    5.825000      0.3751000       5.741000 0.5520000       5.908000      0.5079000     -0.1670000      0.7501000
  1 1 1     -14   -4   28 o    1.675000      0.5427000       1.802000 0.8068000       1.547000      0.7260000      0.2555000       1.085000
  1 1 1     -14   -4   29 o    14.50000      0.4127000       14.15000 0.5983000       14.86000      0.5686000     -0.7148000      0.8254000
  1 1 1     -14   -4   30 o    5.461000      0.4283000       5.285000 0.6244000       5.638000      0.5864000     -0.3528000      0.8566000
  1 1 1     -14   -4   31 o    2.176000      0.6795000       2.490000 1.028000       1.861000      0.8889000      0.6285000       1.359000
  1 1 1     -14   -4   32 o    6.662000      0.5624000       7.332000 0.6846000       5.993000      0.8924000       1.340000       1.125000
  1 1 1     -14   -4   33 o    3.064000      0.6649000       3.229000 0.9579000       2.898000      0.9225000      0.3310000       1.330000
  1 1 1     -14   -4   34 o    3.752000      0.6079000       4.264000 0.8060000       3.241000      0.9101000       1.023000       1.216000
  1 1 1     -14   -4   35 o    4.512000      0.4949000       4.377000 0.7437000       4.647000      0.6533000     -0.2707000      0.9898000
  1 1 1     -14   -3    1 o    2.323000      0.3568000       2.823000 0.4300000       1.823000      0.5695000       1.000000      0.7136000
  1 1 1     -14   -3    2 o    6.760000      0.1838000       6.650000 0.2628000       6.871000      0.2569000     -0.2207000      0.3675000
  1 1 1     -14   -3    3 o    9.909000      0.1914000       10.07000 0.2731000       9.752000      0.2683000      0.3144000      0.3828000
  1 1 1     -14   -3    4 o    7.341000      0.1880000       7.630000 0.2635000       7.053000      0.2682000      0.5774000      0.3760000
  1 1 1     -14   -3    5 o    9.055000      0.1933000       8.838000 0.2693000       9.273000      0.2773000     -0.4347000      0.3866000
  1 1 1     -14   -3    6 o    19.09000      0.2822000       18.97000 0.3973000       19.20000      0.4008000     -0.2254000      0.5644000
  1 1 1     -14   -3    7 o    16.40000      0.2550000       16.57000 0.3641000       16.22000      0.3570000      0.3480000      0.5099000
  1 1 1     -14   -3    8 o    14.28000      0.2351000       14.32000 0.3339000       14.24000      0.3311000      0.7918000E-01  0.4702000
  1 1 1     -14   -3    9 o    1.623000      0.4439000       1.521000 0.6166000       1.725000      0.6386000     -0.2038000      0.8877000
  1 1 1     -14   -3   10 o    5.110000      0.2556000       5.255000 0.3485000       4.965000      0.3741000      0.2898000      0.5113000
  1 1 1     -14   -3   11 o    6.901000      0.2264000       6.807000 0.3177000       6.995000      0.3225000     -0.1881000      0.4527000
  1 1 1     -14   -3   12 o    1.323000      0.4440000       1.190000 0.5820000       1.456000      0.6708000     -0.2667000      0.8880000
  1 1 1     -14   -3   13 o    11.33000      0.3207000       10.63000 0.4536000       12.04000      0.4534000      -1.416000      0.6414000
  1 1 1     -14   -3   14 o    8.583000      0.2323000       9.077000 0.3268000       8.090000      0.3302000      0.9874000      0.4646000
  1 1 1     -14   -3   15 o    9.530000      0.3303000       9.324000 0.4657000       9.736000      0.4685000     -0.4122000      0.6606000
  1 1 1     -14   -3   16 f    4.055000      0.5280000       3.343000 0.8260000       4.766000      0.6581000      -1.424000       1.056000
  1 1 1     -14   -3   17 o    5.875000      0.2966000       5.870000 0.4289000       5.880000      0.4098000     -0.1019000E-01  0.5932000
  1 1 1     -14   -3   18 o    8.517000      0.2480000       8.520000 0.3514000       8.514000      0.3501000      0.5445000E-02  0.4960000
  1 1 1     -14   -3   19 o    9.311000      0.2531000       8.976000 0.3634000       9.647000      0.3522000     -0.6719000      0.5061000
  1 1 1     -14   -3   20 o    21.63000      0.3311000       21.69000 0.4699000       21.57000      0.4666000      0.1208000      0.6622000
  1 1 1     -14   -3   21 f    16.27000      0.2811000       16.13000 0.3987000       16.41000      0.3965000     -0.2816000      0.5622000
  1 1 1     -14   -3   22 o    13.14000      0.2631000       13.29000 0.3745000       12.99000      0.3696000      0.2966000      0.5261000
  1 1 1     -14   -3   23 o    19.00000      0.3085000       19.30000 0.4402000       18.71000      0.4323000      0.5913000      0.6169000
  1 1 1     -14   -3   24 o    6.947000      0.3104000       6.477000 0.4636000       7.417000      0.4131000     -0.9395000      0.6209000
  1 1 1     -14   -3   25 o    3.414000      0.7894000       3.414000 0.7894000                  ?              ?              ?              ?
  1 1 1     -14   -3   26 o    14.96000      0.2856000       15.61000 0.4135000       14.30000      0.3940000       1.309000      0.5712000
  1 1 1     -14   -3   27 o    9.024000      0.4287000                  ?       ?   9.024000      0.4287000                  ?              ?
  1 1 1     -14   -3   28 o    2.846000      0.6714000       3.836000 1.048000       1.857000      0.8398000       1.979000       1.343000
  1 1 1     -14   -3   29 o    12.20000      0.4102000       12.42000 0.5998000       11.98000      0.5596000      0.4367000      0.8203000
  1 1 1     -14   -3   30 f    3.774000      0.5653000       3.723000 0.8180000       3.826000      0.7806000     -0.1028000       1.131000
  1 1 1     -14   -3   31 f    4.729000      0.7515000       4.366000 1.062000       5.092000       1.063000     -0.7254000       1.503000
  1 1 1     -14   -3   32 o    2.181000      0.5923000       2.762000 0.9287000       1.600000      0.7354000       1.162000       1.185000
  1 1 1     -14   -3   33 o    2.101000      0.6175000       2.145000 0.8924000       2.056000      0.8537000      0.8869000E-01   1.235000
  1 1 1     -14   -3   34 o    3.843000      0.5848000       4.864000 0.6970000       2.822000      0.9392000       2.043000       1.170000
  1 1 1     -14   -3   35 o    2.392000      0.6332000       2.184000 0.8815000       2.600000      0.9093000     -0.4165000       1.266000
  1 1 1     -14   -2    1 o    5.650000      0.1893000       5.659000 0.2660000       5.640000      0.2695000      0.1972000E-01  0.3786000
  1 1 1     -14   -2    2 o    2.218000      0.3662000       2.220000 0.5126000       2.215000      0.5231000      0.4212000E-02  0.7323000
  1 1 1     -14   -2    3 o    6.768000      0.1938000       6.401000 0.2806000       7.135000      0.2675000     -0.7335000      0.3877000
  1 1 1     -14   -2    4 o    17.04000      0.2567000       17.04000 0.3634000       17.04000      0.3628000      0.5499000E-02  0.5135000
  1 1 1     -14   -2    5 f    28.16000      0.3923000       28.34000 0.5577000       27.98000      0.5518000      0.3596000      0.7846000
  1 1 1     -14   -2    6 o    17.14000      0.2605000       17.31000 0.3711000       16.96000      0.3657000      0.3579000      0.5210000
  1 1 1     -14   -2    7 o    5.763000      0.2164000       5.981000 0.3069000       5.545000      0.3052000      0.4361000      0.4329000
  1 1 1     -14   -2    8 o    4.547000      0.2539000       4.310000 0.3765000       4.785000      0.3406000     -0.4741000      0.5077000
  1 1 1     -14   -2    9 o    11.34000      0.2166000       10.92000 0.2993000       11.76000      0.3131000     -0.8458000      0.4332000
  1 1 1     -14   -2   10 o    7.899000      0.2149000       7.485000 0.3015000       8.312000      0.3064000     -0.8267000      0.4299000
  1 1 1     -14   -2   11 o    10.90000      0.2180000       10.65000 0.3072000       11.15000      0.3094000     -0.4967000      0.4360000
  1 1 1     -14   -2   12 o    5.662000      0.3370000       5.976000 0.4859000       5.347000      0.4671000      0.6290000      0.6740000
  1 1 1     -14   -2   13 o    13.82000      0.2429000       13.89000 0.3477000       13.75000      0.3394000      0.1444000      0.4859000
  1 1 1     -14   -2   14 o    9.570000      0.2319000       9.583000 0.3270000       9.556000      0.3290000      0.2711000E-01  0.4639000
  1 1 1     -14   -2   15 o    10.43000      0.3277000       10.67000 0.4602000       10.19000      0.4667000      0.4845000      0.6554000
  1 1 1     -14   -2   16 o    1.844000      0.5125000       1.776000 0.7138000       1.912000      0.7357000     -0.1363000       1.025000
  1 1 1     -14   -2   17 o    4.488000      0.3308000       4.603000 0.4713000       4.372000      0.4645000      0.2318000      0.6617000
  1 1 1     -14   -2   18 o    3.108000      0.4919000       3.753000 0.6126000       2.464000      0.7697000       1.289000      0.9837000
  1 1 1     -14   -2   19 o    8.655000      0.2542000       8.520000 0.3626000       8.791000      0.3565000     -0.2704000      0.5085000
  1 1 1     -14   -2   20 o    11.10000      0.2500000       11.47000 0.3564000       10.73000      0.3507000      0.7453000      0.5000000
  1 1 1     -14   -2   21 o    10.18000      0.2564000       9.939000 0.3678000       10.42000      0.3573000     -0.4807000      0.5128000
  1 1 1     -14   -2   22 o    5.765000      0.3297000       6.045000 0.4543000       5.485000      0.4779000      0.5604000      0.6594000
  1 1 1     -14   -2   23 o    15.49000      0.2781000       15.24000 0.3915000       15.74000      0.3951000     -0.4912000      0.5562000
  1 1 1     -14   -2   24 f    15.44000      0.2809000       15.41000 0.3950000       15.47000      0.3993000     -0.6526000E-01  0.5617000
  1 1 1     -14   -2   25 o    2.393000      0.6302000       2.558000 0.8552000       2.227000      0.9259000      0.3316000       1.260000
  1 1 1     -14   -2   26 o    1.425000      0.4774000       1.591000 0.7283000       1.258000      0.6175000      0.3335000      0.9548000
  1 1 1     -14   -2   27 o    11.19000      0.3930000                  ?       ?   11.19000      0.3930000                  ?              ?
  1 1 1     -14   -2   28 o    5.123000      0.5782000       5.213000 0.7808000       5.032000      0.8530000      0.1806000       1.156000
  1 1 1     -14   -2   29 o    11.14000      0.2958000       11.74000 0.4158000       10.54000      0.4208000       1.195000      0.5916000
  1 1 1     -14   -2   30 o    4.211000      0.5040000       3.931000 0.7814000       4.491000      0.6369000     -0.5601000       1.008000
  1 1 1     -14   -2   31 o    4.794000      0.7521000       4.079000 1.124000       5.509000      0.9998000      -1.430000       1.504000
  1 1 1     -14   -2   32 o    2.684000      0.6282000       2.958000 0.9090000       2.409000      0.8673000      0.5492000       1.256000
  1 1 1     -14   -2   33 o    3.519000      0.6111000       2.682000 0.9496000       4.357000      0.7693000      -1.675000       1.222000
  1 1 1     -14   -2   34 o    4.516000      0.5134000       4.366000 0.7449000       4.665000      0.7065000     -0.2984000       1.027000
  1 1 1     -14   -2   35 o    8.621000      0.3209000       8.893000 0.4592000       8.349000      0.4485000      0.5446000      0.6419000
  1 1 1     -14   -1    1 o    6.500000      0.1826000       6.394000 0.2602000       6.606000      0.2563000     -0.2115000      0.3652000
  1 1 1     -14   -1    2 o    5.334000      0.2036000       5.720000 0.2800000       4.949000      0.2957000      0.7707000      0.4072000
  1 1 1     -14   -1    3 o    2.877000      0.3316000       2.728000 0.4874000       3.027000      0.4497000     -0.2990000      0.6632000
  1 1 1     -14   -1    4 o    14.35000      0.2290000       14.50000 0.3264000       14.20000      0.3213000      0.2978000      0.4580000
  1 1 1     -14   -1    5 o    13.28000      0.2206000       13.33000 0.3139000       13.24000      0.3100000      0.9280000E-01  0.4411000
  1 1 1     -14   -1    6 o    1.343000      0.3879000      0.9956000 0.4751000       1.691000      0.6132000     -0.6951000      0.7757000
  1 1 1     -14   -1    7 o    11.15000      0.2081000       11.09000 0.2950000       11.21000      0.2935000     -0.1212000      0.4162000
  1 1 1     -14   -1    8 o    9.756000      0.2076000       9.945000 0.2953000       9.567000      0.2917000      0.3780000      0.4151000
  1 1 1     -14   -1    9 o    12.24000      0.2227000       12.05000 0.3143000       12.42000      0.3155000     -0.3670000      0.4453000
  1 1 1     -14   -1   10 o    4.126000      0.2920000       4.033000 0.4229000       4.219000      0.4028000     -0.1855000      0.5840000
  1 1 1     -14   -1   11 o    8.747000      0.2966000       8.854000 0.4283000       8.641000      0.4104000      0.2129000      0.5932000
  1 1 1     -14   -1   12 o    12.14000      0.3239000       12.06000 0.4631000       12.23000      0.4531000     -0.1651000      0.6478000
  1 1 1     -14   -1   13 o    4.667000      0.2991000       4.840000 0.4133000       4.495000      0.4326000      0.3447000      0.5983000
  1 1 1     -14   -1   14 o    3.182000      0.5820000       3.052000 0.8231000       3.313000      0.8229000     -0.2612000       1.164000
  1 1 1     -14   -1   15 o    6.860000      0.3589000       6.409000 0.5129000       7.310000      0.5022000     -0.9010000      0.7178000
  1 1 1     -14   -1   16 o    7.992000      0.2395000       7.916000 0.3371000       8.069000      0.3403000     -0.1525000      0.4790000
  1 1 1     -14   -1   17 o    10.05000      0.2390000       10.18000 0.3371000       9.911000      0.3389000      0.2676000      0.4780000
  1 1 1     -14   -1   18 o    3.769000      0.4039000       3.758000 0.5866000       3.780000      0.5553000     -0.2186000E-01  0.8077000
  1 1 1     -14   -1   19 o    14.73000      0.2614000       14.63000 0.3671000       14.84000      0.3722000     -0.2134000      0.5228000
  1 1 1     -14   -1   20 o    7.330000      0.2691000       7.088000 0.3860000       7.571000      0.3752000     -0.4836000      0.5383000
  1 1 1     -14   -1   21 o    3.253000      0.5162000       3.634000 0.6693000       2.871000      0.7862000      0.7626000       1.032000
  1 1 1     -14   -1   22 o    6.007000      0.3162000       6.211000 0.4407000       5.803000      0.4537000      0.4077000      0.6325000
  1 1 1     -14   -1   23 o    2.102000      0.5237000       1.486000 0.6801000       2.718000      0.7965000      -1.231000       1.047000
  1 1 1     -14   -1   24 o    10.86000      0.2639000       10.95000 0.3753000       10.78000      0.3711000      0.1690000      0.5278000
  1 1 1     -14   -1   25 o    3.545000      0.5461000       3.790000 0.7338000       3.301000      0.8090000      0.4890000       1.092000
  1 1 1     -14   -1   26 o    3.072000      0.5765000       2.577000 0.8789000       3.566000      0.7464000     -0.9894000       1.153000
  1 1 1     -14   -1   27 o    9.113000      0.3296000       8.300000 0.4071000       9.927000      0.5186000      -1.628000      0.6593000
  1 1 1     -14   -1   28 o    4.199000      0.6814000       3.019000 1.120000       5.380000      0.7758000      -2.361000       1.363000
  1 1 1     -14   -1   29 o    2.236000      0.6018000       1.816000 0.8069000       2.656000      0.8932000     -0.8394000       1.204000
  1 1 1     -14   -1   30 o    8.368000      0.4949000       7.841000 0.7151000       8.894000      0.6843000      -1.054000      0.9898000
  1 1 1     -14   -1   31 o    3.982000      0.7708000       4.786000 1.011000       3.178000       1.164000       1.608000       1.542000
  1 1 1     -14   -1   32 o    4.078000      0.5643000       4.012000 0.8254000       4.144000      0.7698000     -0.1321000       1.129000
  1 1 1     -14   -1   33 o    3.353000      0.6427000       3.400000 0.9480000       3.306000      0.8682000      0.9462000E-01   1.285000
  1 1 1     -14   -1   34 o    3.709000      0.5966000       4.163000 0.7881000       3.255000      0.8958000      0.9078000       1.193000
  1 1 1     -14    0    1 o    11.10000      0.1940000       10.99000 0.2735000       11.20000      0.2753000     -0.2076000      0.3880000
  1 1 1     -14    0    2 o    5.277000      0.2019000       5.188000 0.2922000       5.366000      0.2788000     -0.1782000      0.4039000
  1 1 1     -14    0    3 o    13.45000      0.2183000       13.35000 0.3076000       13.55000      0.3097000     -0.1990000      0.4365000
  1 1 1     -14    0    4 o    16.66000      0.2530000       16.86000 0.3615000       16.45000      0.3540000      0.4179000      0.5060000
  1 1 1     -14    0    5 o    5.324000      0.2170000       5.080000 0.3238000       5.568000      0.2889000     -0.4876000      0.4340000
  1 1 1     -14    0    6 o    6.114000      0.2076000       6.381000 0.2888000       5.846000      0.2983000      0.5346000      0.4152000
  1 1 1     -14    0    7 o    3.854000      0.3710000       4.162000 0.3946000       3.546000      0.6283000      0.6163000      0.7420000
  1 1 1     -14    0    8 o    11.08000      0.2129000       10.90000 0.3016000       11.26000      0.3004000     -0.3618000      0.4257000
  1 1 1     -14    0    9 o    1.745000      0.4479000       1.569000 0.6215000       1.921000      0.6450000     -0.3514000      0.8958000
  1 1 1     -14    0   10 o    4.559000      0.2795000       4.473000 0.4059000       4.644000      0.3843000     -0.1705000      0.5590000
  1 1 1     -14    0   11 o    3.941000      0.4377000       3.658000 0.6908000       4.224000      0.5376000     -0.5664000      0.8753000
  1 1 1     -14    0   12 o    9.524000      0.2167000       9.642000 0.3080000       9.406000      0.3048000      0.2367000      0.4333000
  1 1 1     -14    0   13 o    4.796000      0.2903000       4.590000 0.4267000       5.002000      0.3936000     -0.4123000      0.5805000
  1 1 1     -14    0   14 o    5.735000      0.3712000       5.153000 0.5504000       6.317000      0.4981000      -1.163000      0.7423000
  1 1 1     -14    0   15 o    2.312000      0.5204000       2.375000 0.7218000       2.249000      0.7498000      0.1262000       1.041000
  1 1 1     -14    0   16 o    6.416000      0.2662000       6.615000 0.3758000       6.218000      0.3772000      0.3964000      0.5325000
  1 1 1     -14    0   17 o    2.025000      0.5229000       2.093000 0.7531000       1.957000      0.7256000      0.1357000       1.046000
  1 1 1     -14    0   18 o    6.529000      0.2635000       6.044000 0.3847000       7.013000      0.3604000     -0.9686000      0.5271000
  1 1 1     -14    0   19 o    7.965000      0.2476000       7.861000 0.3498000       8.069000      0.3505000     -0.2076000      0.4952000
  1 1 1     -14    0   20 f    7.314000      0.2788000       6.894000 0.3993000       7.734000      0.3893000     -0.8403000      0.5577000
  1 1 1     -14    0   21 o    7.057000      0.2900000       6.764000 0.4204000       7.350000      0.3996000     -0.5853000      0.5801000
  1 1 1     -14    0   22 o    12.41000      0.2600000       12.58000 0.3701000       12.24000      0.3652000      0.3356000      0.5200000
  1 1 1     -14    0   23 o    6.439000      0.3637000       6.255000 0.4483000       6.623000      0.5729000     -0.3676000      0.7275000
  1 1 1     -14    0   24 o    5.871000      0.3191000       6.276000 0.4306000       5.466000      0.4711000      0.8098000      0.6383000
  1 1 1     -14    0   25 o    10.50000      0.2701000       10.41000 0.3815000       10.59000      0.3826000     -0.1834000      0.5403000
  1 1 1     -14    0   26 o    11.12000      0.2797000       10.88000 0.3949000       11.36000      0.3961000     -0.4818000      0.5593000
  1 1 1     -14    0   27 o    4.869000      0.6082000       4.847000 0.9066000       4.892000      0.8110000     -0.4479000E-01   1.216000
  1 1 1     -14    0   28 o    3.295000      0.6101000       3.628000 0.8383000       2.963000      0.8865000      0.6648000       1.220000
  1 1 1     -14    0   29 o    6.832000      0.3490000       6.492000 0.5278000       7.171000      0.4567000     -0.6793000      0.6980000
  1 1 1     -14    0   30 o    9.371000      0.4695000       8.817000 0.6655000       9.924000      0.6623000      -1.107000      0.9389000
  1 1 1     -14    0   31 o    2.485000      0.6297000       2.047000 0.8681000       2.923000      0.9124000     -0.8767000       1.259000
  1 1 1     -14    0   32 o    6.589000      0.3540000       6.811000 0.5149000       6.366000      0.4860000      0.4451000      0.7080000
  1 1 1     -14    0   33 o    2.550000      0.6323000       3.099000 0.9446000       2.001000      0.8407000       1.097000       1.265000
  1 1 1     -14    0   34 o    4.761000      0.4811000       5.520000 0.6223000       4.002000      0.7339000       1.517000      0.9623000
  1 1 1     -14    1    1 o    6.129000      0.1858000       5.775000 0.2744000       6.484000      0.2507000     -0.7088000      0.3717000
  1 1 1     -14    1    2 o    8.189000      0.1843000       8.241000 0.2559000       8.138000      0.2654000      0.1030000      0.3687000
  1 1 1     -14    1    3 o    16.76000      0.2525000       16.80000 0.3580000       16.72000      0.3563000      0.8796000E-01  0.5051000
  1 1 1     -14    1    4 o    3.807000      0.2656000       4.139000 0.3460000       3.475000      0.4031000      0.6641000      0.5312000
  1 1 1     -14    1    5 o    5.841000      0.2085000       5.745000 0.2980000       5.938000      0.2917000     -0.1936000      0.4170000
  1 1 1     -14    1    6 o    3.809000      0.2805000       3.786000 0.4051000       3.832000      0.3883000     -0.4646000E-01  0.5611000
  1 1 1     -14    1    7 o    10.00000      0.2043000       10.06000 0.2906000       9.942000      0.2873000      0.1165000      0.4087000
  1 1 1     -14    1    8 o    5.445000      0.2418000       5.431000 0.3398000       5.458000      0.3442000     -0.2647000E-01  0.4836000
  1 1 1     -14    1    9 o    14.13000      0.2368000       14.15000 0.3353000       14.11000      0.3344000      0.3971000E-01  0.4736000
  1 1 1     -14    1   10 o    9.512000      0.2951000       9.912000 0.4205000       9.113000      0.4141000      0.7997000      0.5902000
  1 1 1     -14    1   11 o    4.922000      0.2877000       4.849000 0.4069000       4.995000      0.4068000     -0.1466000      0.5753000
  1 1 1     -14    1   12 o    7.322000      0.2324000       7.190000 0.3312000       7.454000      0.3261000     -0.2645000      0.4649000
  1 1 1     -14    1   13 o    11.13000      0.3288000       10.86000 0.4577000       11.40000      0.4722000     -0.5340000      0.6577000
  1 1 1     -14    1   14 o    2.418000      0.4428000       1.495000 0.6558000       3.342000      0.5952000      -1.847000      0.8856000
  1 1 1     -14    1   15 o    8.382000      0.2351000       8.310000 0.3373000       8.454000      0.3275000     -0.1439000      0.4701000
  1 1 1     -14    1   16 o    3.809000      0.3856000       4.104000 0.5040000       3.513000      0.5838000      0.5909000      0.7713000
  1 1 1     -14    1   17 o    5.685000      0.2969000       5.523000 0.4358000       5.846000      0.4034000     -0.3233000      0.5939000
  1 1 1     -14    1   18 o    6.419000      0.2810000       6.611000 0.3908000       6.227000      0.4039000      0.3838000      0.5620000
  1 1 1     -14    1   19 o    9.379000      0.2475000       9.754000 0.3480000       9.003000      0.3521000      0.7510000      0.4950000
  1 1 1     -14    1   20 o    13.64000      0.2564000       13.42000 0.3593000       13.86000      0.3658000     -0.4441000      0.5127000
  1 1 1     -14    1   21 f    6.932000      0.2786000       6.999000 0.3823000       6.865000      0.4055000      0.1336000      0.5573000
  1 1 1     -14    1   22 o    6.607000      0.2940000       6.440000 0.4205000       6.774000      0.4111000     -0.3340000      0.5881000
  1 1 1     -14    1   23 o    6.015000      0.3240000       5.410000 0.4722000       6.620000      0.4438000      -1.209000      0.6480000
  1 1 1     -14    1   24 o    3.067000      0.5702000       3.590000 0.7549000       2.544000      0.8548000       1.045000       1.140000
  1 1 1     -14    1   25 o    2.133000      0.5606000       1.547000 0.7161000       2.719000      0.8626000      -1.172000       1.121000
  1 1 1     -14    1   26 o    6.831000      0.6350000       6.831000 0.6350000                  ?              ?              ?              ?
  1 1 1     -14    1   27 o    7.738000      0.4356000       7.168000 0.6651000       8.307000      0.5626000      -1.140000      0.8711000
  1 1 1     -14    1   28 o    6.870000      0.4214000       5.772000 0.7267000       7.968000      0.4270000      -2.197000      0.8429000
  1 1 1     -14    1   29 o    4.979000      0.6885000       5.077000 0.9421000       4.881000       1.004000      0.1959000       1.377000
  1 1 1     -14    1   30 o    2.201000      0.6253000       2.052000 0.8659000       2.350000      0.9025000     -0.2978000       1.251000
  1 1 1     -14    1   31 o    4.280000      0.5516000       5.038000 0.6840000       3.521000      0.8655000       1.516000       1.103000
  1 1 1     -14    1   32 o    4.829000      0.4906000       4.447000 0.7800000       5.211000      0.5952000     -0.7639000      0.9812000
  1 1 1     -14    1   33 o    2.832000      0.6167000       3.629000 0.8901000       2.035000      0.8538000       1.594000       1.233000
  1 1 1     -14    1   34 o    4.489000      0.5213000       5.232000 0.6498000       3.745000      0.8153000       1.487000       1.043000
  1 1 1     -14    2    1 o    4.484000      0.2327000       4.013000 0.3377000       4.954000      0.3203000     -0.9413000      0.4654000
  1 1 1     -14    2    2 o    12.18000      0.2117000       12.34000 0.2947000       12.03000      0.3039000      0.3131000      0.4234000
  1 1 1     -14    2    3 o    10.99000      0.2020000       11.09000 0.2803000       10.89000      0.2908000      0.2041000      0.4039000
  1 1 1     -14    2    4 o    4.602000      0.2455000       4.506000 0.3338000       4.697000      0.3602000     -0.1910000      0.4911000
  1 1 1     -14    2    5 o    6.819000      0.2155000       6.962000 0.2853000       6.675000      0.3230000      0.2876000      0.4309000
  1 1 1     -14    2    6 o    2.487000      0.3967000       2.618000 0.5541000       2.356000      0.5678000      0.2618000      0.7934000
  1 1 1     -14    2    7 o    1.136000      0.3677000       1.201000 0.5377000       1.071000      0.5017000      0.1295000      0.7354000
  1 1 1     -14    2    8 o    7.422000      0.2089000       7.460000 0.3004000       7.384000      0.2904000      0.7666000E-01  0.4178000
  1 1 1     -14    2    9 o    3.875000      0.4369000       4.714000 0.5180000       3.036000      0.7036000       1.678000      0.8737000
  1 1 1     -14    2   10 o    9.953000      0.3016000       10.46000 0.4394000       9.446000      0.4132000       1.014000      0.6032000
  1 1 1     -14    2   11 o    9.860000      0.2149000       9.889000 0.3005000       9.831000      0.3074000      0.5789000E-01  0.4298000
  1 1 1     -14    2   12 o    14.63000      0.3493000       14.43000 0.4813000       14.83000      0.5062000     -0.3991000      0.6985000
  1 1 1     -14    2   13 o    8.882000      0.3171000       8.688000 0.4418000       9.077000      0.4551000     -0.3894000      0.6342000
  1 1 1     -14    2   14 o    5.405000      0.2661000       5.486000 0.3827000       5.324000      0.3698000      0.1622000      0.5322000
  1 1 1     -14    2   15 o    6.240000      0.2680000       6.514000 0.3731000       5.967000      0.3849000      0.5467000      0.5360000
  1 1 1     -14    2   16 o    6.281000      0.2653000       6.138000 0.3785000       6.424000      0.3718000     -0.2858000      0.5306000
  1 1 1     -14    2   17 o    4.201000      0.3593000       4.133000 0.5257000       4.269000      0.4901000     -0.1361000      0.7187000
  1 1 1     -14    2   18 o    9.619000      0.2447000       9.840000 0.3450000       9.398000      0.3472000      0.4425000      0.4895000
  1 1 1     -14    2   19 o    11.04000      0.2440000       11.23000 0.3484000       10.84000      0.3416000      0.3949000      0.4880000
  1 1 1     -14    2   20 o    8.185000      0.2546000       8.405000 0.3586000       7.965000      0.3616000      0.4402000      0.5092000
  1 1 1     -14    2   21 o    1.970000      0.5213000       1.960000 0.7479000       1.981000      0.7264000     -0.2077000E-01   1.043000
  1 1 1     -14    2   22 o    3.288000      0.4885000       3.479000 0.6940000       3.097000      0.6876000      0.3822000      0.9770000
  1 1 1     -14    2   23 o    4.558000      0.4075000       4.512000 0.5838000       4.604000      0.5688000     -0.9194000E-01  0.8151000
  1 1 1     -14    2   24 o    7.418000      0.2983000       7.278000 0.4225000       7.557000      0.4211000     -0.2795000      0.5965000
  1 1 1     -14    2   25 o    7.889000      0.2946000       7.602000 0.4192000       8.175000      0.4141000     -0.5734000      0.5892000
  1 1 1     -14    2   26 o    9.571000      0.5498000       9.571000 0.5498000                  ?              ?              ?              ?
  1 1 1     -14    2   27 o    10.12000      0.2846000       10.10000 0.4127000       10.14000      0.3919000     -0.3559000E-01  0.5691000
  1 1 1     -14    2   28 o    7.533000      0.4507000                  ?       ?   7.533000      0.4507000                  ?              ?
  1 1 1     -14    2   29 o    6.965000      0.4918000       6.580000 0.6753000       7.350000      0.7151000     -0.7706000      0.9836000
  1 1 1     -14    2   30 o    3.915000      0.5645000       3.429000 0.8727000       4.400000      0.7163000     -0.9711000       1.129000
  1 1 1     -14    2   31 o    6.930000      0.3607000       7.407000 0.5017000       6.452000      0.5185000      0.9544000      0.7215000
  1 1 1     -14    2   32 o    2.025000      0.5982000       2.120000 0.8750000       1.930000      0.8158000      0.1902000       1.196000
  1 1 1     -14    2   33 o    2.035000      0.5914000       2.368000 0.9120000       1.701000      0.7531000      0.6666000       1.183000
  1 1 1     -14    2   34 o    4.689000      0.4797000       4.682000 0.7000000       4.696000      0.6560000     -0.1409000E-01  0.9594000
  1 1 1     -14    3    1 o    6.529000      0.1946000       6.593000 0.2635000       6.465000      0.2863000      0.1287000      0.3891000
  1 1 1     -14    3    2 o    8.053000      0.1951000       8.132000 0.2651000       7.974000      0.2864000      0.1574000      0.3903000
  1 1 1     -14    3    3 o    7.537000      0.1976000       7.407000 0.2691000       7.667000      0.2894000     -0.2592000      0.3952000
  1 1 1     -14    3    4 f    6.021000      0.2102000       5.585000 0.2902000       6.458000      0.3042000     -0.8726000      0.4204000
  1 1 1     -14    3    5 o    11.90000      0.2178000       11.96000 0.3017000       11.83000      0.3141000      0.1265000      0.4356000
  1 1 1     -14    3    6 o    4.532000      0.2640000       4.819000 0.3318000       4.245000      0.4108000      0.5736000      0.5280000
  1 1 1     -14    3    7 f    7.553000      0.2145000       7.708000 0.2866000       7.398000      0.3192000      0.3099000      0.4290000
  1 1 1     -14    3    9 o    9.045000      0.3247000       9.340000 0.4336000       8.749000      0.4834000      0.5913000      0.6493000
  1 1 1     -14    3   10 o    7.000000      0.2350000       6.681000 0.3212000       7.319000      0.3433000     -0.6383000      0.4701000
  1 1 1     -14    3   11 o    1.429000      0.4711000       1.592000 0.7122000       1.266000      0.6169000      0.3263000      0.9422000
  1 1 1     -14    3   12 o    5.072000      0.3825000       4.363000 0.5715000       5.782000      0.5085000      -1.419000      0.7650000
  1 1 1     -14    3   13 o    4.980000      0.2726000       5.061000 0.3817000       4.898000      0.3894000      0.1626000      0.5453000
  1 1 1     -14    3   14 o    9.106000      0.2302000       9.357000 0.3276000       8.854000      0.3236000      0.5028000      0.4604000
  1 1 1     -14    3   15 o    5.589000      0.2844000       5.500000 0.3993000       5.677000      0.4051000     -0.1766000      0.5688000
  1 1 1     -14    3   16 o    1.648000      0.4793000       1.586000 0.6681000       1.710000      0.6874000     -0.1243000      0.9586000
  1 1 1     -14    3   17 o    5.739000      0.2866000       5.999000 0.4019000       5.480000      0.4088000      0.5189000      0.5733000
  1 1 1     -14    3   18 o    7.707000      0.2542000       7.833000 0.3547000       7.581000      0.3643000      0.2520000      0.5084000
  1 1 1     -14    3   19 o    9.155000      0.2413000       9.783000 0.3396000       8.528000      0.3430000       1.255000      0.4827000
  1 1 1     -14    3   20 o    12.98000      0.2523000       13.22000 0.3593000       12.73000      0.3543000      0.4851000      0.5046000
  1 1 1     -14    3   21 o    3.908000      0.4161000       4.018000 0.5698000       3.799000      0.6065000      0.2188000      0.8322000
  1 1 1     -14    3   22 o    11.27000      0.2549000       10.98000 0.3591000       11.56000      0.3617000     -0.5782000      0.5097000
  1 1 1     -14    3   23 o    4.914000      0.3638000       4.608000 0.5441000       5.219000      0.4831000     -0.6103000      0.7276000
  1 1 1     -14    3   24 o    3.470000      0.4973000       3.953000 0.6174000       2.987000      0.7797000      0.9653000      0.9945000
  1 1 1     -14    3   25 o    7.153000      0.3880000       6.770000 0.5687000       7.537000      0.5281000     -0.7678000      0.7761000
  1 1 1     -14    3   26 o    4.365000      0.4310000       4.252000 0.6570000       4.478000      0.5581000     -0.2260000      0.8620000
  1 1 1     -14    3   27 o    4.745000      0.4710000       5.645000 0.5384000       3.845000      0.7730000       1.800000      0.9420000
  1 1 1     -14    3   28 o    5.183000      0.9852000                  ?       ?   5.183000      0.9852000                  ?              ?
  1 1 1     -14    3   29 o    5.790000      0.3930000       5.831000 0.5555000       5.749000      0.5561000      0.8233000E-01  0.7860000
  1 1 1     -14    3   30 o    6.519000      0.3691000       6.186000 0.5551000       6.852000      0.4867000     -0.6660000      0.7383000
  1 1 1     -14    3   31 o    2.477000      0.6241000       2.877000 0.9046000       2.078000      0.8600000      0.7984000       1.248000
  1 1 1     -14    3   32 o    2.651000      0.6508000       2.587000 0.9381000       2.715000      0.9023000     -0.1288000       1.302000
  1 1 1     -14    3   33 o    2.369000      0.5788000       1.636000 0.7650000       3.102000      0.8690000      -1.466000       1.158000
  1 1 1     -14    4    1 o    8.662000      0.1990000       8.675000 0.2805000       8.649000      0.2822000      0.2545000E-01  0.3979000
  1 1 1     -14    4    2 o    7.985000      0.2360000       8.402000 0.3743000       7.567000      0.2873000      0.8354000      0.4719000
  1 1 1     -14    4    3 o    6.796000      0.2034000       6.535000 0.2820000       7.058000      0.2930000     -0.5228000      0.4067000
  1 1 1     -14    4    4 o    12.87000      0.2231000       13.00000 0.3107000       12.74000      0.3203000      0.2549000      0.4462000
  1 1 1     -14    4    5 o    9.425000      0.2086000       9.497000 0.2855000       9.354000      0.3043000      0.1425000      0.4172000
  1 1 1     -14    4    6 o    7.963000      0.2105000       8.083000 0.2848000       7.844000      0.3101000      0.2395000      0.4211000
  1 1 1     -14    4    7 o    5.192000      0.3747000       4.681000 0.4936000       5.703000      0.5639000      -1.021000      0.7494000
  1 1 1     -14    4    8 o    13.50000      0.3400000       13.56000 0.4659000       13.44000      0.4954000      0.1270000      0.6800000
  1 1 1     -14    4    9 o    16.53000      0.2650000       16.23000 0.3636000       16.82000      0.3858000     -0.5830000      0.5301000
  1 1 1     -14    4   10 o    3.504000      0.5075000       3.635000 0.6730000       3.373000      0.7598000      0.2626000       1.015000
  1 1 1     -14    4   11 o    7.702000      0.3316000       7.395000 0.4536000       8.008000      0.4839000     -0.6136000      0.6633000
  1 1 1     -14    4   12 o    8.255000      0.2371000       8.074000 0.3189000       8.435000      0.3510000     -0.3610000      0.4742000
  1 1 1     -14    4   13 o    2.936000      0.4833000       3.046000 0.6309000       2.825000      0.7322000      0.2206000      0.9666000
  1 1 1     -14    4   14 o    4.502000      0.3583000       4.694000 0.4425000       4.310000      0.5637000      0.3845000      0.7166000
  1 1 1     -14    4   15 o    8.228000      0.2442000       8.432000 0.3265000       8.023000      0.3631000      0.4089000      0.4883000
  1 1 1     -14    4   16 o    3.459000      0.4495000       3.607000 0.5949000       3.312000      0.6739000      0.2957000      0.8989000
  1 1 1     -14    4   17 o    9.772000      0.2469000       10.04000 0.3405000       9.505000      0.3576000      0.5342000      0.4938000
  1 1 1     -14    4   18 o    11.50000      0.2537000       11.35000 0.3491000       11.65000      0.3682000     -0.3026000      0.5074000
  1 1 1     -14    4   19 o    6.039000      0.3096000       6.159000 0.4095000       5.919000      0.4644000      0.2398000      0.6192000
  1 1 1     -14    4   20 o    5.537000      0.3311000       5.345000 0.4369000       5.730000      0.4975000     -0.3843000      0.6622000
  1 1 1     -14    4   21 o    3.875000      0.5488000       3.773000 0.5625000       3.977000      0.9425000     -0.2045000       1.098000
  1 1 1     -14    4   22 o    5.976000      0.4259000       6.548000 0.4197000       5.403000      0.7411000       1.145000      0.8517000
  1 1 1     -14    4   23 o    5.858000      0.3246000       6.201000 0.4522000       5.516000      0.4657000      0.6850000      0.6491000
  1 1 1     -14    4   24 o    3.681000      0.5830000       2.648000 0.9745000       4.714000      0.6402000      -2.066000       1.166000
  1 1 1     -14    4   25 o    2.600000      0.6443000       2.219000 0.9356000       2.982000      0.8860000     -0.7630000       1.289000
  1 1 1     -14    4   26 o    5.151000      0.3886000       5.178000 0.5421000       5.124000      0.5569000      0.5450000E-01  0.7772000
  1 1 1     -14    4   27 o    7.703000      0.5106000       8.043000 0.6931000       7.363000      0.7499000      0.6797000       1.021000
  1 1 1     -14    4   28 o    1.737000      0.5371000       1.395000 0.6705000       2.079000      0.8391000     -0.6836000       1.074000
  1 1 1     -14    4   29 o    3.934000      0.5168000       4.093000 0.7101000       3.776000      0.7510000      0.3166000       1.034000
  1 1 1     -14    4   30 o    3.097000      0.5823000       2.546000 0.8699000       3.649000      0.7744000      -1.103000       1.165000
  1 1 1     -14    4   31 o    2.229000      0.5659000       2.680000 0.8278000       1.777000      0.7717000      0.9029000       1.132000
  1 1 1     -14    4   32 o    2.705000      0.5567000       1.924000 0.8072000       3.485000      0.7670000      -1.561000       1.113000
  1 1 1     -14    4   33 o    3.000000      0.6035000       3.086000 0.8805000       2.914000      0.8255000      0.1726000       1.207000
  1 1 1     -14    5    1 o    4.454000      0.2451000       4.473000 0.3410000       4.435000      0.3523000      0.3823000E-01  0.4903000
  1 1 1     -14    5    2 o    2.170000      0.4217000       1.691000 0.6224000       2.649000      0.5691000     -0.9579000      0.8433000
  1 1 1     -14    5    3 o    7.038000      0.2136000       6.659000 0.3048000       7.417000      0.2994000     -0.7576000      0.4273000
  1 1 1     -14    5    4 o    13.30000      0.2317000       13.26000 0.3277000       13.33000      0.3277000     -0.6317000E-01  0.4634000
  1 1 1     -14    5    5 o    10.84000      0.2613000       10.87000 0.4209000       10.81000      0.3099000      0.5873000E-01  0.5227000
  1 1 1     -14    5    6 o    13.14000      0.3290000       13.71000 0.4557000       12.57000      0.4745000       1.138000      0.6579000
  1 1 1     -14    5    7 o    4.733000      0.2899000       4.815000 0.3803000       4.652000      0.4376000      0.1629000      0.5798000
  1 1 1     -14    5    8 o    7.478000      0.2267000       7.773000 0.2969000       7.182000      0.3426000      0.5913000      0.4534000
  1 1 1     -14    5    9 o    4.629000      0.3869000       4.470000 0.5204000       4.788000      0.5727000     -0.3179000      0.7738000
  1 1 1     -14    5   10 o    6.678000      0.3285000       6.849000 0.4582000       6.508000      0.4708000      0.3415000      0.6569000
  1 1 1     -14    5   11 o    7.574000      0.2390000       7.179000 0.3225000       7.968000      0.3528000     -0.7893000      0.4780000
  1 1 1     -14    5   12 o    9.667000      0.2377000       9.791000 0.3231000       9.543000      0.3487000      0.2474000      0.4754000
  1 1 1     -14    5   13 o    2.981000      0.4619000       3.390000 0.5571000       2.572000      0.7370000      0.8182000      0.9239000
  1 1 1     -14    5   14 o    7.205000      0.2528000       7.040000 0.3409000       7.370000      0.3735000     -0.3298000      0.5057000
  1 1 1     -14    5   15 o    11.30000      0.2448000       11.26000 0.3301000       11.33000      0.3615000     -0.6958000E-01  0.4896000
  1 1 1     -14    5   16 f    11.06000      0.2419000       10.63000 0.3256000       11.49000      0.3580000     -0.8601000      0.4839000
  1 1 1     -14    5   17 o    1.909000      0.5203000       1.965000 0.7303000       1.853000      0.7412000      0.1117000       1.041000
  1 1 1     -14    5   18 o    3.436000      0.4821000       2.972000 0.6959000       3.900000      0.6674000     -0.9273000      0.9642000
  1 1 1     -14    5   19 o    5.437000      0.3422000       5.322000 0.4639000       5.551000      0.5033000     -0.2285000      0.6845000
  1 1 1     -14    5   20 o    4.022000      0.4332000       3.891000 0.5626000       4.154000      0.6590000     -0.2625000      0.8665000
  1 1 1     -14    5   21 o    3.465000      0.5239000       2.939000 0.7791000       3.992000      0.7008000      -1.053000       1.048000
  1 1 1     -14    5   22 o    5.038000      0.3807000       4.950000 0.4891000       5.125000      0.5835000     -0.1748000      0.7614000
  1 1 1     -14    5   23 o    5.298000      0.5752000       5.354000 0.6958000       5.242000      0.9162000      0.1124000       1.150000
  1 1 1     -14    5   25 o    2.000000      0.5900000       2.060000 0.8305000       1.940000      0.8381000      0.1199000       1.180000
  1 1 1     -14    5   26 o    3.150000      0.7255000       2.896000 1.011000       3.403000       1.041000     -0.5068000       1.451000
  1 1 1     -14    5   27 o    2.120000      0.6741000       2.013000 0.9136000       2.228000      0.9914000     -0.2152000       1.348000
  1 1 1     -14    5   28 f    10.65000      0.3082000       10.68000 0.4039000       10.63000      0.4657000      0.5044000E-01  0.6165000
  1 1 1     -14    5   29 o    2.481000      0.6518000       2.023000 0.8414000       2.940000      0.9958000     -0.9162000       1.304000
  1 1 1     -14    5   30 o    6.287000      0.3919000       6.901000 0.4736000       5.673000      0.6245000       1.228000      0.7837000
  1 1 1     -14    5   31 f    2.327000      0.6221000       2.693000 0.9023000       1.961000      0.8566000      0.7325000       1.244000
  1 1 1     -14    5   32 o    1.589000      0.5221000       1.368000 0.6670000       1.809000      0.8035000     -0.4410000       1.044000
  1 1 1     -14    5   33 o    4.807000      0.4906000       5.655000 0.5787000       3.958000      0.7925000       1.697000      0.9813000
  1 1 1     -14    6    1 o    7.127000      0.2064000       7.144000 0.2979000       7.109000      0.2857000      0.3473000E-01  0.4128000
  1 1 1     -14    6    2 o    5.327000      0.2391000       5.453000 0.3363000       5.200000      0.3401000      0.2530000      0.4783000
  1 1 1     -14    6    3 o    8.129000      0.2115000       8.156000 0.2982000       8.102000      0.3000000      0.5403000E-01  0.4230000
  1 1 1     -14    6    4 o    9.638000      0.2923000       9.733000 0.3912000       9.543000      0.4345000      0.1902000      0.5847000
  1 1 1     -14    6    5 o    8.923000      0.3024000       8.854000 0.3995000       8.991000      0.4540000     -0.1369000      0.6047000
  1 1 1     -14    6    6 f    6.134000      0.2471000       5.848000 0.3599000       6.420000      0.3386000     -0.5718000      0.4941000
  1 1 1     -14    6    7 o    6.495000      0.2449000       6.549000 0.3455000       6.441000      0.3472000      0.1073000      0.4898000
  1 1 1     -14    6    8 o    4.098000      0.6758000                  ?       ?   4.098000      0.6758000                  ?              ?
  1 1 1     -14    6    9 o    1.949000      0.5356000       2.333000 0.8099000       1.564000      0.7009000      0.7691000       1.071000
  1 1 1     -14    6   10 o    11.53000      0.2317000       11.80000 0.3196000       11.26000      0.3355000      0.5423000      0.4633000
  1 1 1     -14    6   11 o    3.763000      0.3890000       3.599000 0.5490000       3.927000      0.5513000     -0.3277000      0.7780000
  1 1 1     -14    6   12 o    6.928000      0.2466000       6.875000 0.3273000       6.981000      0.3689000     -0.1053000      0.4931000
  1 1 1     -14    6   13 f    5.088000      0.3107000       5.128000 0.4050000       5.048000      0.4714000      0.8005000E-01  0.6215000
  1 1 1     -14    6   14 o    4.108000      0.3634000       3.782000 0.5071000       4.434000      0.5208000     -0.6524000      0.7269000
  1 1 1     -14    6   15 o    5.017000      0.3154000       5.181000 0.4146000       4.852000      0.4755000      0.3290000      0.6309000
  1 1 1     -14    6   16 o    9.543000      0.2475000       9.628000 0.3335000       9.459000      0.3658000      0.1698000      0.4950000
  1 1 1     -14    6   17 o    2.314000      0.4519000       3.176000 0.6134000       1.452000      0.6638000       1.724000      0.9038000
  1 1 1     -14    6   18 o    14.44000      0.2698000       14.87000 0.3731000       14.01000      0.3897000      0.8603000      0.5395000
  1 1 1     -14    6   19 o    5.545000      0.3890000       5.591000 0.5891000       5.498000      0.5081000      0.9336000E-01  0.7779000
  1 1 1     -14    6   20 o    8.230000      0.3280000       8.123000 0.3681000       8.338000      0.5430000     -0.2142000      0.6560000
  1 1 1     -14    6   21 o    5.356000      0.3554000       5.467000 0.4561000       5.245000      0.5451000      0.2228000      0.7107000
  1 1 1     -14    6   22 o    4.336000      0.6386000       5.390000 0.7109000       3.282000       1.061000       2.108000       1.277000
  1 1 1     -14    6   23 o    7.025000      0.4870000       7.666000 0.5471000       6.384000      0.8059000       1.282000      0.9741000
  1 1 1     -14    6   24 o    6.197000      0.3710000       6.186000 0.4676000       6.208000      0.5762000     -0.2201000E-01  0.7421000
  1 1 1     -14    6   25 o    3.052000      0.7443000       2.831000 1.053000       3.273000       1.052000     -0.4427000       1.489000
  1 1 1     -14    6   26 o    3.156000      0.7661000       2.745000 1.062000       3.567000       1.105000     -0.8220000       1.532000
  1 1 1     -14    6   27 o    7.997000      0.4478000       7.997000 0.4478000                  ?              ?              ?              ?
  1 1 1     -14    6   28 o    10.90000      0.3123000       10.70000 0.4212000       11.11000      0.4612000     -0.4135000      0.6246000
  1 1 1     -14    6   29 o    3.501000      0.6322000       2.790000 0.9509000       4.211000      0.8332000      -1.421000       1.264000
  1 1 1     -14    6   30 o    4.427000      0.4996000       4.270000 0.7074000       4.584000      0.7057000     -0.3140000      0.9992000
  1 1 1     -14    6   31 o    2.339000      0.6006000       2.840000 0.8901000       1.838000      0.8067000       1.002000       1.201000
  1 1 1     -14    6   32 o    3.023000      0.5565000       3.949000 0.7227000       2.097000      0.8466000       1.852000       1.113000
  1 1 1     -14    7    1 o    6.191000      0.2237000       5.633000 0.3293000       6.748000      0.3028000      -1.114000      0.4473000
  1 1 1     -14    7    2 o    1.882000      0.4433000       2.227000 0.6303000       1.536000      0.6236000      0.6910000      0.8867000
  1 1 1     -14    7    3 o    6.042000      0.3220000       6.596000 0.3993000       5.489000      0.5053000       1.108000      0.6441000
  1 1 1     -14    7    4 o    8.286000      0.2939000       7.780000 0.3967000       8.792000      0.4337000      -1.013000      0.5878000
  1 1 1     -14    7    5 o    9.400000      0.2224000       9.045000 0.3150000       9.756000      0.3141000     -0.7109000      0.4448000
  1 1 1     -14    7    6 o    7.840000      0.2492000       8.041000 0.3768000       7.639000      0.3261000      0.4019000      0.4983000
  1 1 1     -14    7    7 o    10.18000      0.3423000       10.12000 0.5152000       10.25000      0.4509000     -0.1307000      0.6847000
  1 1 1     -14    7    8 o    6.968000      0.2548000       7.180000 0.3500000       6.756000      0.3705000      0.4236000      0.5096000
  1 1 1     -14    7    9 o    8.826000      0.2363000       8.877000 0.3321000       8.776000      0.3362000      0.1005000      0.4726000
  1 1 1     -14    7   10 o    6.544000      0.2769000       6.690000 0.3786000       6.399000      0.4042000      0.2901000      0.5538000
  1 1 1     -14    7   11 o    3.904000      0.3609000       4.150000 0.4285000       3.658000      0.5808000      0.4920000      0.7218000
  1 1 1     -14    7   12 o    3.024000      0.4574000       2.652000 0.6351000       3.396000      0.6585000     -0.7443000      0.9149000
  1 1 1     -14    7   13 o    12.57000      0.2444000       12.99000 0.3359000       12.16000      0.3552000      0.8346000      0.4888000
  1 1 1     -14    7   14 o    7.250000      0.2509000       7.143000 0.3310000       7.357000      0.3773000     -0.2134000      0.5019000
  1 1 1     -14    7   15 o    9.121000      0.2421000       9.043000 0.3227000       9.199000      0.3610000     -0.1562000      0.4842000
  1 1 1     -14    7   16 o    3.364000      0.4623000       3.523000 0.5741000       3.206000      0.7247000      0.3166000      0.9246000
  1 1 1     -14    7   17 o    1.757000      0.5115000       1.539000 0.6665000       1.975000      0.7762000     -0.4362000       1.023000
  1 1 1     -14    7   18 o    7.181000      0.2917000       7.255000 0.3823000       7.108000      0.4407000      0.1464000      0.5834000
  1 1 1     -14    7   19 o    9.331000      0.2617000       9.427000 0.3436000       9.235000      0.3949000      0.1917000      0.5234000
  1 1 1     -14    7   20 o    2.236000      0.5627000       2.582000 0.7838000       1.890000      0.8077000      0.6913000       1.125000
  1 1 1     -14    7   21 o    2.648000      0.6891000       3.000000 0.9575000       2.297000      0.9912000      0.7033000       1.378000
  1 1 1     -14    7   23 o    5.555000      0.3826000       5.293000 0.5276000       5.817000      0.5543000     -0.5240000      0.7652000
  1 1 1     -14    7   24 o    9.068000      0.4338000       9.080000 0.6109000       9.056000      0.6160000      0.2405000E-01  0.8676000
  1 1 1     -14    7   25 o    2.467000      0.7074000       2.497000 0.9921000       2.438000       1.009000      0.5894000E-01   1.415000
  1 1 1     -14    7   26 o    11.38000      0.3016000       11.70000 0.3920000       11.07000      0.4585000      0.6295000      0.6032000
  1 1 1     -14    7   27 f    2.432000      0.8929000       2.432000 0.8929000                  ?              ?              ?              ?
  1 1 1     -14    7   28 o    2.968000      0.6694000       3.086000 0.8829000       2.850000       1.006000      0.2357000       1.339000
  1 1 1     -14    7   29 o    1.675000      0.7813000                  ?       ?   1.675000      0.7813000                  ?              ?
  1 1 1     -14    7   30 o    2.698000      0.6150000       2.160000 0.8624000       3.235000      0.8771000      -1.075000       1.230000
  1 1 1     -14    7   31 o    3.351000      0.5949000       3.426000 0.8308000       3.276000      0.8518000      0.1498000       1.190000
  1 1 1     -14    7   32 o    3.533000      0.6041000       4.050000 0.8036000       3.017000      0.9023000       1.033000       1.208000
  1 1 1     -14    8    1 o    7.333000      0.2800000       7.420000 0.3732000       7.246000      0.4174000      0.1742000      0.5599000
  1 1 1     -14    8    2 o    2.713000      0.5117000       2.425000 0.6887000       3.002000      0.7571000     -0.5769000       1.023000
  1 1 1     -14    8    3 o    1.861000      0.4303000       1.386000 0.6069000       2.337000      0.6102000     -0.9512000      0.8606000
  1 1 1     -14    8    4 o    3.902000      0.3228000       4.152000 0.4412000       3.652000      0.4714000      0.5000000      0.6457000
  1 1 1     -14    8    5 o    4.165000      0.4927000       4.131000 0.7994000       4.199000      0.5763000     -0.6767000E-01  0.9855000
  1 1 1     -14    8    6 f    7.189000      0.3487000       7.120000 0.5381000       7.258000      0.4438000     -0.1386000      0.6975000
  1 1 1     -14    8    7 o    8.842000      0.2302000       9.061000 0.3219000       8.623000      0.3293000      0.4377000      0.4605000
  1 1 1     -14    8    8 o    4.890000      0.3115000       4.557000 0.4516000       5.224000      0.4291000     -0.6671000      0.6230000
  1 1 1     -14    8    9 o    7.848000      0.2469000       8.001000 0.3521000       7.695000      0.3461000      0.3053000      0.4938000
  1 1 1     -14    8   10 o    11.26000      0.2388000       11.49000 0.3373000       11.03000      0.3380000      0.4574000      0.4775000
  1 1 1     -14    8   11 o    2.794000      0.5229000       2.579000 0.7351000       3.010000      0.7440000     -0.4313000       1.046000
  1 1 1     -14    8   12 o    6.571000      0.2769000       6.457000 0.4005000       6.685000      0.3825000     -0.2280000      0.5538000
  1 1 1     -14    8   13 o    12.20000      0.2938000       12.07000 0.4633000       12.34000      0.3612000     -0.2738000      0.5875000
  1 1 1     -14    8   14 o    5.938000      0.2966000       6.557000 0.3601000       5.320000      0.4713000       1.238000      0.5931000
  1 1 1     -14    8   15 o    8.010000      0.2551000       7.779000 0.3393000       8.241000      0.3809000     -0.4613000      0.5101000
  1 1 1     -14    8   16 o    5.817000      0.3099000       5.029000 0.4488000       6.605000      0.4274000      -1.576000      0.6197000
  1 1 1     -14    8   17 o    4.138000      0.4263000       4.105000 0.5279000       4.171000      0.6696000     -0.6549000E-01  0.8527000
  1 1 1     -14    8   18 o    7.087000      0.2918000       7.240000 0.3763000       6.935000      0.4462000      0.3050000      0.5837000
  1 1 1     -14    8   19 o    10.81000      0.2676000       10.47000 0.3519000       11.15000      0.4033000     -0.6875000      0.5352000
  1 1 1     -14    8   20 o    7.077000      0.4547000       7.149000 0.5511000       7.005000      0.7234000      0.1441000      0.9094000
  1 1 1     -14    8   21 o    5.068000      0.6171000       5.695000 0.6486000       4.442000       1.050000       1.253000       1.234000
  1 1 1     -14    8   22 o    3.273000      0.5994000       3.271000 0.7801000       3.275000      0.9102000     -0.4675000E-02   1.199000
  1 1 1     -14    8   23 o    4.224000      0.6554000       3.798000 0.9688000       4.651000      0.8830000     -0.8526000       1.311000
  1 1 1     -14    8   24 o    5.440000      0.5710000       4.995000 0.8566000       5.884000      0.7552000     -0.8887000       1.142000
  1 1 1     -14    8   25 o    3.119000      0.6501000       2.693000 0.8922000       3.545000      0.9459000     -0.8522000       1.300000
  1 1 1     -14    8   26 o    6.143000      0.4071000       6.779000 0.4617000       5.507000      0.6706000       1.273000      0.8142000
  1 1 1     -14    8   27 o    3.081000      0.6599000       3.076000 0.8487000       3.087000       1.011000     -0.1148000E-01   1.320000
  1 1 1     -14    8   28 o    3.844000      0.6102000       3.734000 0.8147000       3.954000      0.9087000     -0.2199000       1.220000
  1 1 1     -14    8   29 o    1.799000      0.5872000       1.942000 0.8805000       1.656000      0.7773000      0.2864000       1.174000
  1 1 1     -14    8   30 o    2.803000      0.6304000       3.367000 0.8767000       2.239000      0.9062000       1.128000       1.261000
  1 1 1     -14    8   31 o    3.331000      0.5634000       4.215000 0.6993000       2.448000      0.8835000       1.767000       1.127000
  1 1 1     -14    9    1 o    2.869000      0.3931000       2.463000 0.6093000       3.275000      0.4968000     -0.8118000      0.7862000
  1 1 1     -14    9    2 o    7.097000      0.2221000       7.072000 0.3187000       7.121000      0.3095000     -0.4890000E-01  0.4442000
  1 1 1     -14    9    3 o    6.634000      0.3595000       6.261000 0.5706000       7.007000      0.4376000     -0.7457000      0.7191000
  1 1 1     -14    9    4 o    3.619000      0.5683000       3.497000 0.9014000       3.742000      0.6923000     -0.2450000       1.137000
  1 1 1     -14    9    5 o    3.345000      0.3910000       3.531000 0.5105000       3.160000      0.5923000      0.3719000      0.7820000
  1 1 1     -14    9    6 o    4.381000      0.3224000       4.814000 0.4212000       3.949000      0.4883000      0.8655000      0.6448000
  1 1 1     -14    9    7 o    6.669000      0.2488000       6.719000 0.3543000       6.618000      0.3495000      0.1010000      0.4977000
  1 1 1     -14    9    8 o    6.401000      0.2663000       6.530000 0.3740000       6.272000      0.3793000      0.2579000      0.5327000
  1 1 1     -14    9    9 o    7.947000      0.2459000       7.313000 0.3556000       8.581000      0.3397000      -1.268000      0.4918000
  1 1 1     -14    9   10 f    9.669000      0.2411000       9.728000 0.3437000       9.610000      0.3383000      0.1187000      0.4822000
  1 1 1     -14    9   11 o    3.093000      0.4762000       2.578000 0.7426000       3.607000      0.5964000      -1.028000      0.9524000
  1 1 1     -14    9   12 o    6.643000      0.2817000       6.445000 0.3941000       6.842000      0.4027000     -0.3975000      0.5635000
  1 1 1     -14    9   13 o    7.327000      0.2742000       7.643000 0.3844000       7.010000      0.3912000      0.6328000      0.5485000
  1 1 1     -14    9   14 o    8.984000      0.2650000       8.886000 0.3717000       9.082000      0.3778000     -0.1958000      0.5299000
  1 1 1     -14    9   15 o    2.916000      0.5478000       2.620000 0.7887000       3.211000      0.7603000     -0.5916000       1.096000
  1 1 1     -14    9   16 o    2.793000      0.4735000       3.743000 0.5575000       1.843000      0.7654000       1.900000      0.9469000
  1 1 1     -14    9   17 o    2.695000      0.5579000       2.637000 0.7460000       2.753000      0.8297000     -0.1157000       1.116000
  1 1 1     -14    9   18 o    9.655000      0.2680000       9.304000 0.3571000       10.01000      0.3997000     -0.7012000      0.5360000
  1 1 1     -14    9   19 o    4.530000      0.6214000       5.035000 0.6358000       4.025000       1.068000       1.011000       1.243000
  1 1 1     -14    9   20 o    4.639000      0.4493000       4.731000 0.5219000       4.547000      0.7315000      0.1846000      0.8986000
  1 1 1     -14    9   21 o    9.014000      0.2833000       8.634000 0.3747000       9.395000      0.4251000     -0.7612000      0.5667000
  1 1 1     -14    9   22 o    4.136000      0.6994000       4.997000 0.8258000       3.275000       1.129000       1.721000       1.399000
  1 1 1     -14    9   23 o    1.841000      0.5807000       1.715000 0.7498000       1.968000      0.8869000     -0.2530000       1.161000
  1 1 1     -14    9   24 o    8.883000      0.3095000       8.996000 0.4064000       8.769000      0.4667000      0.2276000      0.6189000
  1 1 1     -14    9   25 o    3.665000      0.6117000       3.796000 0.7371000       3.534000      0.9763000      0.2623000       1.223000
  1 1 1     -14    9   26 o    4.579000      0.4876000       4.172000 0.6377000       4.985000      0.7377000     -0.8133000      0.9751000
  1 1 1     -14    9   27 o    2.549000      0.6523000       2.242000 0.8544000       2.855000      0.9859000     -0.6131000       1.305000
  1 1 1     -14    9   28 o    6.458000      0.3788000       6.559000 0.4906000       6.357000      0.5773000      0.2020000      0.7576000
  1 1 1     -14    9   29 o    1.917000      0.5894000       1.635000 0.7562000       2.199000      0.9042000     -0.5632000       1.179000
  1 1 1     -14    9   30 o    2.776000      0.5925000       3.647000 0.8462000       1.905000      0.8296000       1.743000       1.185000
  1 1 1     -14    9   31 o    3.006000      0.6360000       2.867000 0.8870000       3.144000      0.9116000     -0.2778000       1.272000
  1 1 1     -14   10    1 o    5.385000      0.3991000       5.399000 0.6543000       5.371000      0.4572000      0.2796000E-01  0.7982000
  1 1 1     -14   10    2 o    1.615000      0.5161000       1.729000 0.7904000       1.501000      0.6637000      0.2277000       1.032000
  1 1 1     -14   10    3 f    7.603000      0.2247000       7.867000 0.3166000       7.338000      0.3189000      0.5288000      0.4493000
  1 1 1     -14   10    4 o    5.269000      0.2661000       5.222000 0.3807000       5.315000      0.3718000     -0.9250000E-01  0.5322000
  1 1 1     -14   10    5 o    10.92000      0.2252000       11.00000 0.3228000       10.83000      0.3141000      0.1760000      0.4504000
  1 1 1     -14   10    6 o    2.601000      0.4829000       2.356000 0.7022000       2.846000      0.6632000     -0.4898000      0.9659000
  1 1 1     -14   10    7 o    15.01000      0.2562000       15.02000 0.3636000       15.00000      0.3610000      0.1670000E-01  0.5123000
  1 1 1     -14   10    8 o    9.495000      0.2380000       9.765000 0.3341000       9.226000      0.3389000      0.5396000      0.4759000
  1 1 1     -14   10    9 o    3.881000      0.3777000       4.009000 0.5143000       3.753000      0.5533000      0.2553000      0.7554000
  1 1 1     -14   10   10 o    3.025000      0.4745000       3.171000 0.6647000       2.879000      0.6773000      0.2927000      0.9490000
  1 1 1     -14   10   11 o    5.643000      0.3026000       5.709000 0.4134000       5.576000      0.4419000      0.1330000      0.6051000
  1 1 1     -14   10   12 o    4.047000      0.3955000       4.146000 0.5400000       3.948000      0.5781000      0.1979000      0.7911000
  1 1 1     -14   10   13 o    5.119000      0.3393000       4.883000 0.5044000       5.355000      0.4540000     -0.4720000      0.6787000
  1 1 1     -14   10   14 o    2.218000      0.5510000       1.809000 0.7430000       2.627000      0.8139000     -0.8179000       1.102000
  1 1 1     -14   10   15 o    3.723000      0.4825000       3.172000 0.7505000       4.274000      0.6065000      -1.102000      0.9650000
  1 1 1     -14   10   16 o    2.553000      0.5876000       2.730000 0.8039000       2.376000      0.8572000      0.3548000       1.175000
  1 1 1     -14   10   17 o    5.515000      0.3574000       5.371000 0.5069000       5.659000      0.5040000     -0.2878000      0.7148000
  1 1 1     -14   10   18 o    6.118000      0.4712000       6.041000 0.6013000       6.195000      0.7256000     -0.1532000      0.9424000
  1 1 1     -14   10   19 o    2.423000      0.5737000       2.625000 0.7792000       2.221000      0.8423000      0.4037000       1.147000
  1 1 1     -14   10   20 o    6.274000      0.3553000       6.741000 0.4090000       5.807000      0.5810000      0.9342000      0.7105000
  1 1 1     -14   10   21 o    5.973000      0.4837000       5.757000 0.6580000       6.189000      0.7092000     -0.4319000      0.9675000
  1 1 1     -14   10   22 o    2.450000      0.6125000       2.064000 0.8066000       2.837000      0.9219000     -0.7729000       1.225000
  1 1 1     -14   10   23 o    9.216000      0.2993000       8.903000 0.3969000       9.529000      0.4481000     -0.6258000      0.5986000
  1 1 1     -14   10   24 o    8.217000      0.3269000       7.781000 0.4341000       8.653000      0.4889000     -0.8726000      0.6538000
  1 1 1     -14   10   25 o    2.250000      0.6150000       2.491000 0.8556000       2.009000      0.8836000      0.4817000       1.230000
  1 1 1     -14   10   26 o    2.382000      0.6265000       2.642000 0.8650000       2.123000      0.9065000      0.5190000       1.253000
  1 1 1     -14   10   27 o    2.690000      0.6337000       2.466000 0.8248000       2.914000      0.9623000     -0.4476000       1.267000
  1 1 1     -14   10   28 o    2.696000      0.6218000       3.330000 0.8676000       2.063000      0.8909000       1.267000       1.244000
  1 1 1     -14   10   29 o    5.369000      0.4591000       5.592000 0.5905000       5.146000      0.7032000      0.4453000      0.9183000
  1 1 1     -14   10   30 o    1.846000      0.5746000       1.740000 0.7868000       1.951000      0.8377000     -0.2111000       1.149000
  1 1 1     -14   11    1 o    4.662000      0.4108000       5.306000 0.6869000       4.018000      0.4507000       1.287000      0.8216000
  1 1 1     -14   11    2 o    2.528000      0.4551000       2.859000 0.6029000       2.197000      0.6818000      0.6616000      0.9102000
  1 1 1     -14   11    3 o    6.432000      0.2345000       6.676000 0.3311000       6.188000      0.3323000      0.4883000      0.4691000
  1 1 1     -14   11    4 o    6.556000      0.2430000       7.060000 0.3322000       6.052000      0.3547000       1.008000      0.4860000
  1 1 1     -14   11    5 o    8.517000      0.2280000       8.721000 0.3191000       8.312000      0.3257000      0.4094000      0.4560000
  1 1 1     -14   11    6 o    3.724000      0.3827000       4.067000 0.4673000       3.380000      0.6061000      0.6878000      0.7653000
  1 1 1     -14   11    7 o    12.37000      0.2424000       12.56000 0.3436000       12.19000      0.3419000      0.3684000      0.4848000
  1 1 1     -14   11    8 o    2.857000      0.4793000       2.320000 0.7510000       3.394000      0.5958000      -1.073000      0.9586000
  1 1 1     -14   11    9 o    6.710000      0.2673000       6.826000 0.3727000       6.594000      0.3832000      0.2314000      0.5346000
  1 1 1     -14   11   10 o    6.747000      0.2732000       6.800000 0.3809000       6.695000      0.3918000      0.1056000      0.5465000
  1 1 1     -14   11   11 o    5.943000      0.2978000       5.652000 0.4190000       6.233000      0.4233000     -0.5809000      0.5956000
  1 1 1     -14   11   12 o    3.516000      0.4651000       3.538000 0.6554000       3.495000      0.6602000      0.4250000E-01  0.9303000
  1 1 1     -14   11   13 o    4.069000      0.4442000       4.838000 0.5245000       3.301000      0.7170000       1.537000      0.8883000
  1 1 1     -14   11   14 o    4.746000      0.3862000       4.667000 0.5383000       4.825000      0.5538000     -0.1578000      0.7724000
  1 1 1     -14   11   15 o    4.074000      0.4433000       4.487000 0.5685000       3.661000      0.6803000      0.8261000      0.8866000
  1 1 1     -14   11   16 o    7.179000      0.3879000       6.946000 0.4795000       7.411000      0.6100000     -0.4651000      0.7759000
  1 1 1     -14   11   17 o    13.93000      0.3788000       14.14000 0.5055000       13.72000      0.5643000      0.4187000      0.7577000
  1 1 1     -14   11   18 o    3.013000      0.6114000       2.738000 0.8301000       3.289000      0.8979000     -0.5510000       1.223000
  1 1 1     -14   11   19 o    4.210000      0.6853000       4.546000 1.147000       3.874000      0.7499000      0.6721000       1.371000
  1 1 1     -14   11   20 o    1.679000      0.5634000       1.550000 0.7377000       1.809000      0.8517000     -0.2586000       1.127000
  1 1 1     -14   11   21 o    5.458000      0.3996000       5.755000 0.4715000       5.161000      0.6452000      0.5940000      0.7991000
  1 1 1     -14   11   22 o    3.026000      0.6216000       3.181000 0.7917000       2.871000      0.9585000      0.3100000       1.243000
  1 1 1     -14   11   23 o    5.344000      0.4353000       5.204000 0.5525000       5.485000      0.6727000     -0.2812000      0.8705000
  1 1 1     -14   11   24 o    5.583000      0.4327000       5.843000 0.5198000       5.324000      0.6919000      0.5191000      0.8654000
  1 1 1     -14   11   25 f    2.512000      0.6457000       1.898000 0.8050000       3.125000       1.010000      -1.228000       1.291000
  1 1 1     -14   11   26 o    5.245000      0.4652000       5.701000 0.5290000       4.788000      0.7654000      0.9124000      0.9305000
  1 1 1     -14   11   27 o    2.482000      0.6332000       1.936000 0.8114000       3.027000      0.9724000      -1.090000       1.266000
  1 1 1     -14   11   28 o    2.023000      0.8497000       2.023000 0.8497000                  ?              ?              ?              ?
  1 1 1     -14   11   29 o    3.702000      0.5989000       4.002000 0.7847000       3.402000      0.9049000      0.5999000       1.198000
  1 1 1     -14   12    1 o    4.483000      0.4180000                  ?       ?   4.483000      0.4180000                  ?              ?
  1 1 1     -14   12    2 o    13.88000      0.2374000       14.11000 0.3401000       13.65000      0.3312000      0.4621000      0.4748000
  1 1 1     -14   12    3 o    25.12000      0.3591000       25.39000 0.5143000       24.84000      0.5013000      0.5487000      0.7182000
  1 1 1     -14   12    4 o    10.03000      0.2207000       9.967000 0.3151000       10.08000      0.3090000     -0.1173000      0.4413000
  1 1 1     -14   12    5 o    9.426000      0.2234000       9.233000 0.3129000       9.620000      0.3188000     -0.3872000      0.4467000
  1 1 1     -14   12    6 o    6.473000      0.2563000       6.453000 0.3559000       6.493000      0.3688000     -0.3948000E-01  0.5125000
  1 1 1     -14   12    7 o    7.116000      0.2545000       7.585000 0.3469000       6.647000      0.3726000      0.9378000      0.5091000
  1 1 1     -14   12    8 o    6.620000      0.2685000       6.397000 0.3805000       6.843000      0.3790000     -0.4455000      0.5370000
  1 1 1     -14   12    9 o    15.23000      0.2633000       15.11000 0.3726000       15.35000      0.3721000     -0.2385000      0.5266000
  1 1 1     -14   12   10 o    6.048000      0.2841000       5.547000 0.4185000       6.550000      0.3843000      -1.003000      0.5681000
  1 1 1     -14   12   11 o    7.306000      0.2747000       6.918000 0.3912000       7.693000      0.3859000     -0.7752000      0.5495000
  1 1 1     -14   12   12 o    5.669000      0.3252000       5.730000 0.4580000       5.607000      0.4618000      0.1230000      0.6504000
  1 1 1     -14   12   13 o    2.200000      0.5632000       2.242000 0.7982000       2.159000      0.7948000      0.8340000E-01   1.126000
  1 1 1     -14   12   14 o    7.244000      0.2981000       6.751000 0.4302000       7.737000      0.4129000     -0.9853000      0.5963000
  1 1 1     -14   12   15 o    3.794000      0.6394000       4.048000 0.7533000       3.540000       1.033000      0.5085000       1.279000
  1 1 1     -14   12   16 o    4.167000      0.4860000       4.193000 0.6834000       4.141000      0.6913000      0.5137000E-01  0.9721000
  1 1 1     -14   12   17 f    6.929000      0.3328000       6.914000 0.4693000       6.945000      0.4720000     -0.3027000E-01  0.6656000
  1 1 1     -14   12   18 o    2.637000      0.7573000       2.480000 1.122000       2.794000       1.018000     -0.3140000       1.515000
  1 1 1     -14   12   19 o    10.79000      0.3421000       10.48000 0.3898000       11.11000      0.5622000     -0.6304000      0.6841000
  1 1 1     -14   12   20 o    2.185000      0.6149000       2.100000 0.8421000       2.270000      0.8963000     -0.1695000       1.230000
  1 1 1     -14   12   21 o    8.640000      0.3352000       8.170000 0.4829000       9.110000      0.4652000     -0.9395000      0.6705000
  1 1 1     -14   12   22 o    3.119000      0.6379000       3.010000 0.8133000       3.229000      0.9829000     -0.2184000       1.276000
  1 1 1     -14   12   23 o    2.289000      0.6232000       1.814000 0.7784000       2.765000      0.9734000     -0.9517000       1.246000
  1 1 1     -14   12   24 o    6.700000      0.4059000       7.461000 0.4428000       5.940000      0.6804000       1.521000      0.8118000
  1 1 1     -14   12   25 o    2.103000      0.6051000       1.852000 0.7908000       2.354000      0.9162000     -0.5020000       1.210000
  1 1 1     -14   12   26 f    4.226000      0.5480000       4.234000 0.6692000       4.218000      0.8680000      0.1600000E-01   1.096000
  1 1 1     -14   12   27 o    5.435000      0.4483000       4.829000 0.6299000       6.041000      0.6381000      -1.212000      0.8966000
  1 1 1     -14   12   28 o    3.702000      0.7854000       3.702000 0.7854000                  ?              ?              ?              ?
  1 1 1     -14   13    1 o    5.284000      0.2538000       4.981000 0.3507000       5.586000      0.3670000     -0.6050000      0.5076000
  1 1 1     -14   13    2 o    10.16000      0.2209000       10.28000 0.3154000       10.03000      0.3092000      0.2535000      0.4417000
  1 1 1     -14   13    3 o    12.02000      0.2318000       12.35000 0.3359000       11.68000      0.3195000      0.6700000      0.4636000
  1 1 1     -14   13    4 o    9.827000      0.2242000       9.734000 0.3201000       9.921000      0.3139000     -0.1874000      0.4483000
  1 1 1     -14   13    5 o    13.71000      0.2446000       13.63000 0.3478000       13.80000      0.3441000     -0.1684000      0.4893000
  1 1 1     -14   13    6 o    3.175000      0.4416000       3.618000 0.5608000       2.732000      0.6822000      0.8860000      0.8831000
  1 1 1     -14   13    7 o    2.410000      0.5202000       2.214000 0.7497000       2.606000      0.7214000     -0.3918000       1.040000
  1 1 1     -14   13    8 o    10.44000      0.2372000       10.71000 0.3367000       10.18000      0.3341000      0.5296000      0.4744000
  1 1 1     -14   13    9 o    1.480000      0.4698000       1.389000 0.6307000       1.571000      0.6965000     -0.1817000      0.9397000
  1 1 1     -14   13   10 o    6.251000      0.2937000       6.483000 0.4109000       6.018000      0.4196000      0.4652000      0.5873000
  1 1 1     -14   13   11 o    12.63000      0.2571000       12.97000 0.3685000       12.29000      0.3586000      0.6868000      0.5142000
  1 1 1     -14   13   12 o    11.34000      0.2595000       10.89000 0.3672000       11.78000      0.3667000     -0.8836000      0.5189000
  1 1 1     -14   13   13 o    12.49000      0.3488000       12.97000 0.4770000       12.02000      0.5091000      0.9498000      0.6977000
  1 1 1     -14   13   14 o    7.724000      0.3775000       7.816000 0.4735000       7.631000      0.5879000      0.1852000      0.7549000
  1 1 1     -14   13   15 o    8.999000      0.2870000       9.244000 0.3980000       8.753000      0.4136000      0.4905000      0.5740000
  1 1 1     -14   13   16 o    9.459000      0.4870000       9.043000 0.7897000       9.874000      0.5700000     -0.8314000      0.9740000
  1 1 1     -14   13   17 o    6.997000      0.5972000       6.715000 0.9805000       7.279000      0.6820000     -0.5637000       1.194000
  1 1 1     -14   13   18 o    6.442000      0.3562000       6.743000 0.4786000       6.142000      0.5277000      0.6004000      0.7124000
  1 1 1     -14   13   19 o    8.443000      0.3257000       8.653000 0.4480000       8.232000      0.4729000      0.4206000      0.6514000
  1 1 1     -14   13   20 o    4.941000      0.4750000       4.430000 0.7080000       5.451000      0.6334000      -1.021000      0.9500000
  1 1 1     -14   13   21 o    2.261000      0.6409000       1.947000 0.8360000       2.575000      0.9716000     -0.6278000       1.282000
  1 1 1     -14   13   22 o    7.159000      0.3891000       7.944000 0.4913000       6.374000      0.6034000       1.570000      0.7782000
  1 1 1     -14   13   23 o    4.129000      0.5914000       4.193000 0.7793000       4.065000      0.8898000      0.1283000       1.183000
  1 1 1     -14   13   24 o    2.660000      0.6222000       2.067000 0.8177000       3.253000      0.9380000      -1.185000       1.244000
  1 1 1     -14   13   25 o    5.191000      0.4591000       5.161000 0.6152000       5.220000      0.6816000     -0.5874000E-01  0.9182000
  1 1 1     -14   13   26 o    5.154000      0.4421000       4.799000 0.5984000       5.508000      0.6509000     -0.7096000      0.8842000
  1 1 1     -14   13   27 o    1.957000      0.5959000       1.699000 0.7654000       2.215000      0.9135000     -0.5155000       1.192000
  1 1 1     -14   13   28 o    3.356000      0.6254000       4.033000 0.7737000       2.679000      0.9829000       1.354000       1.251000
  1 1 1     -14   14    1 o    8.429000      0.2248000       8.406000 0.3244000       8.452000      0.3112000     -0.4604000E-01  0.4496000
  1 1 1     -14   14    2 o    5.581000      0.2609000       5.506000 0.3744000       5.656000      0.3635000     -0.1501000      0.5218000
  1 1 1     -14   14    3 o    10.82000      0.2280000       10.80000 0.3278000       10.85000      0.3168000     -0.4689000E-01  0.4559000
  1 1 1     -14   14    4 o    19.98000      0.3037000       20.25000 0.4371000       19.71000      0.4217000      0.5423000      0.6074000
  1 1 1     -14   14    5 o    11.45000      0.2356000       11.42000 0.3382000       11.47000      0.3280000     -0.4505000E-01  0.4711000
  1 1 1     -14   14    6 o    6.762000      0.2602000       6.804000 0.3671000       6.720000      0.3689000      0.8449000E-01  0.5205000
  1 1 1     -14   14    7 o    6.602000      0.2674000       6.494000 0.3752000       6.711000      0.3810000     -0.2165000      0.5347000
  1 1 1     -14   14    8 o    9.525000      0.2400000       9.671000 0.3417000       9.380000      0.3372000      0.2908000      0.4801000
  1 1 1     -14   14    9 o    3.978000      0.4134000       3.629000 0.6306000       4.327000      0.5347000     -0.6974000      0.8268000
  1 1 1     -14   14   10 o    3.732000      0.4640000       4.141000 0.5798000       3.324000      0.7247000      0.8166000      0.9281000
  1 1 1     -14   14   11 o    2.608000      0.6179000       2.884000 0.8542000       2.331000      0.8931000      0.5530000       1.236000
  1 1 1     -14   14   12 o    10.65000      0.3347000       10.50000 0.4497000       10.81000      0.4958000     -0.3124000      0.6693000
  1 1 1     -14   14   13 o    11.79000      0.2691000       12.09000 0.3887000       11.50000      0.3724000      0.5865000      0.5383000
  1 1 1     -14   14   14 o    8.163000      0.2995000       8.566000 0.4166000       7.760000      0.4304000      0.8058000      0.5990000
  1 1 1     -14   14   15 o    4.804000      0.7041000       3.381000 1.239000       6.227000      0.6685000      -2.846000       1.408000
  1 1 1     -14   14   16 o    1.733000      0.5361000       1.844000 0.7750000       1.623000      0.7409000      0.2212000       1.072000
  1 1 1     -14   14   17 o    2.670000      0.5952000       2.137000 0.8314000       3.203000      0.8520000      -1.067000       1.190000
  1 1 1     -14   14   18 f    5.416000      0.4318000       5.458000 0.5870000       5.374000      0.6333000      0.8340000E-01  0.8635000
  1 1 1     -14   14   19 o    4.821000      0.4727000       4.773000 0.6531000       4.869000      0.6835000     -0.9568000E-01  0.9453000
  1 1 1     -14   14   20 o    3.105000      0.6353000       3.700000 0.8269000       2.511000      0.9647000       1.189000       1.271000
  1 1 1     -14   14   21 o    3.925000      0.6086000       3.505000 0.9294000       4.344000      0.7860000     -0.8388000       1.217000
  1 1 1     -14   14   22 o    5.258000      0.4791000       5.425000 0.6494000       5.091000      0.7047000      0.3343000      0.9583000
  1 1 1     -14   14   23 o    5.128000      0.4831000       5.825000 0.5946000       4.431000      0.7615000       1.393000      0.9662000
  1 1 1     -14   14   24 o    2.133000      0.6239000       2.241000 0.8894000       2.025000      0.8751000      0.2167000       1.248000
  1 1 1     -14   14   25 o    3.968000      0.6564000       3.545000 1.055000       4.391000      0.7810000     -0.8452000       1.313000
  1 1 1     -14   14   26 o    2.062000      0.5985000       2.329000 0.8780000       1.795000      0.8134000      0.5341000       1.197000
  1 1 1     -14   14   27 o    2.169000      0.6080000       1.592000 0.7379000       2.746000      0.9666000      -1.154000       1.216000
  1 1 1     -14   15    1 o    5.995000      0.2675000       5.805000 0.3939000       6.186000      0.3620000     -0.3808000      0.5350000
  1 1 1     -14   15    2 f    9.875000      0.3267000       10.10000 0.5728000       9.652000      0.3146000      0.4460000      0.6535000
  1 1 1     -14   15    3 o    19.30000      0.2954000       19.43000 0.4250000       19.16000      0.4103000      0.2709000      0.5908000
  1 1 1     -14   15    4 o    12.01000      0.2361000       11.98000 0.3407000       12.04000      0.3270000     -0.6622000E-01  0.4722000
  1 1 1     -14   15    5 o    1.966000      0.5175000       1.807000 0.7161000       2.125000      0.7473000     -0.3187000       1.035000
  1 1 1     -14   15    6 o    2.141000      0.5281000       1.883000 0.7206000       2.399000      0.7721000     -0.5154000       1.056000
  1 1 1     -14   15    7 o    8.287000      0.2542000       8.420000 0.3642000       8.154000      0.3549000      0.2656000      0.5085000
  1 1 1     -14   15    8 o    6.109000      0.2956000       6.226000 0.4125000       5.992000      0.4234000      0.2344000      0.5911000
  1 1 1     -14   15    9 o    9.691000      0.3244000       10.01000 0.4227000       9.376000      0.4923000      0.6296000      0.6489000
  1 1 1     -14   15   10 o    3.607000      0.5892000       3.618000 0.7164000       3.596000      0.9357000      0.2183000E-01   1.178000
  1 1 1     -14   15   11 o    4.246000      0.4230000       4.166000 0.6119000       4.326000      0.5842000     -0.1600000      0.8460000
  1 1 1     -14   15   12 o    2.565000      0.5823000       2.714000 0.8152000       2.416000      0.8316000      0.2975000       1.165000
  1 1 1     -14   15   13 o    6.954000      0.5684000       6.545000 0.9398000       7.363000      0.6397000     -0.8181000       1.137000
  1 1 1     -14   15   14 o    11.73000      0.4341000       11.75000 0.6750000       11.70000      0.5459000      0.5297000E-01  0.8681000
  1 1 1     -14   15   15 f    4.072000      0.5015000       3.807000 0.7403000       4.336000      0.6767000     -0.5284000       1.003000
  1 1 1     -14   15   16 o    3.007000      0.6002000       2.616000 0.8670000       3.397000      0.8303000     -0.7819000       1.200000
  1 1 1     -14   15   17 o    2.989000      0.6179000       3.134000 0.8420000       2.843000      0.9045000      0.2913000       1.236000
  1 1 1     -14   15   18 o    1.894000      0.5733000       2.013000 0.8312000       1.774000      0.7898000      0.2396000       1.147000
  1 1 1     -14   15   19 o    3.055000      0.5494000       4.223000 0.7244000       1.887000      0.8261000       2.336000       1.099000
  1 1 1     -14   15   20 o    6.203000      0.4152000       6.615000 0.5481000       5.791000      0.6239000      0.8234000      0.8304000
  1 1 1     -14   15   21 o    2.107000      0.6217000       2.123000 0.8897000       2.092000      0.8686000      0.3085000E-01   1.243000
  1 1 1     -14   15   22 o    3.515000      0.6263000       4.181000 0.8222000       2.850000      0.9449000       1.331000       1.253000
  1 1 1     -14   15   23 o    2.788000      0.6658000       2.798000 0.9169000       2.778000      0.9655000      0.1962000E-01   1.332000
  1 1 1     -14   15   24 o    1.962000      0.5919000       1.607000 0.7439000       2.316000      0.9210000     -0.7093000       1.184000
  1 1 1     -14   15   25 o    2.348000      0.6558000       2.244000 0.9041000       2.453000      0.9503000     -0.2097000       1.312000
  1 1 1     -14   15   26 o    1.927000      0.5891000       1.857000 0.8097000       1.997000      0.8558000     -0.1405000       1.178000
  1 1 1     -14   16    1 o    9.454000      0.2407000       9.400000 0.3577000       9.508000      0.3222000     -0.1075000      0.4814000
  1 1 1     -14   16    2 o    8.152000      0.3354000                  ?       ?   8.152000      0.3354000                  ?              ?
  1 1 1     -14   16    3 o    7.895000      0.2505000       7.902000 0.3775000       7.888000      0.3294000      0.1384000E-01  0.5010000
  1 1 1     -14   16    4 o    3.644000      0.4306000       3.972000 0.5818000       3.316000      0.6350000      0.6555000      0.8613000
  1 1 1     -14   16    5 o    3.621000      0.4475000       3.039000 0.7267000       4.202000      0.5225000      -1.162000      0.8951000
  1 1 1     -14   16    6 o    3.481000      0.4567000       2.960000 0.7048000       4.002000      0.5810000      -1.042000      0.9134000
  1 1 1     -14   16    7 o    2.937000      0.6178000       2.959000 0.8206000       2.915000      0.9237000      0.4360000E-01   1.236000
  1 1 1     -14   16    8 o    2.713000      0.6203000       2.822000 0.8284000       2.603000      0.9236000      0.2190000       1.241000
  1 1 1     -14   16    9 o    4.534000      0.3926000       4.602000 0.5511000       4.466000      0.5593000      0.1362000      0.7852000
  1 1 1     -14   16   10 o    11.44000      0.2581000       11.62000 0.3694000       11.27000      0.3607000      0.3490000      0.5163000
  1 1 1     -14   16   11 o    3.819000      0.7608000       4.373000 1.158000       3.265000      0.9865000       1.107000       1.522000
  1 1 1     -14   16   12 o    4.046000      0.7868000       4.205000 1.216000       3.887000      0.9990000      0.3185000       1.574000
  1 1 1     -14   16   13 f    7.850000      0.2889000       7.652000 0.4101000       8.048000      0.4069000     -0.3956000      0.5777000
  1 1 1     -14   16   14 o    3.283000      0.5477000       2.378000 0.8580000       4.187000      0.6811000      -1.808000       1.095000
  1 1 1     -14   16   15 o    2.717000      0.5990000       3.315000 0.8330000       2.119000      0.8610000       1.195000       1.198000
  1 1 1     -14   16   16 o    3.173000      0.5761000       3.928000 0.7220000       2.417000      0.8980000       1.511000       1.152000
  1 1 1     -14   16   17 o    2.594000      0.6227000       2.076000 0.8390000       3.112000      0.9205000      -1.036000       1.245000
  1 1 1     -14   16   18 o    2.467000      0.6096000       1.964000 0.8285000       2.969000      0.8945000      -1.005000       1.219000
  1 1 1     -14   16   19 o    4.462000      0.5409000       5.421000 0.5803000       3.503000      0.9131000       1.918000       1.082000
  1 1 1     -14   16   20 o    4.138000      0.5610000       4.438000 0.7237000       3.837000      0.8572000      0.6005000       1.122000
  1 1 1     -14   16   21 o    2.732000      0.6616000       3.080000 0.9437000       2.383000      0.9274000      0.6966000       1.323000
  1 1 1     -14   16   22 o    2.192000      0.6396000       2.263000 0.9153000       2.121000      0.8938000      0.1420000       1.279000
  1 1 1     -14   16   23 o    2.862000      0.6673000       2.497000 0.9098000       3.228000      0.9764000     -0.7313000       1.335000
  1 1 1     -14   16   24 o    4.572000      0.5448000       3.955000 0.8435000       5.189000      0.6899000      -1.234000       1.090000
  1 1 1     -14   16   25 o    2.854000      0.6834000       2.438000 0.9421000       3.271000      0.9903000     -0.8331000       1.367000
  1 1 1     -14   17    1 o    7.393000      0.2698000       7.586000 0.3945000       7.200000      0.3682000      0.3859000      0.5396000
  1 1 1     -14   17    2 o    4.881000      0.3437000       5.243000 0.4605000       4.519000      0.5103000      0.7231000      0.6873000
  1 1 1     -14   17    3 o    2.354000      0.5299000       1.864000 0.7741000       2.844000      0.7238000     -0.9804000       1.060000
  1 1 1     -14   17    4 o    4.422000      0.4549000       4.533000 0.5443000       4.312000      0.7291000      0.2204000      0.9099000
  1 1 1     -14   17    5 o    2.416000      0.6127000       2.365000 0.8334000       2.466000      0.8983000     -0.1015000       1.225000
  1 1 1     -14   17    6 o    3.769000      0.4801000       3.505000 0.7577000       4.033000      0.5898000     -0.5280000      0.9602000
  1 1 1     -14   17    7 o    5.318000      0.3313000       5.182000 0.4774000       5.455000      0.4594000     -0.2727000      0.6625000
  1 1 1     -14   17    8 o    4.575000      0.3965000       5.051000 0.5034000       4.099000      0.6127000      0.9515000      0.7930000
  1 1 1     -14   17    9 o    3.552000      0.7908000       3.903000 1.223000       3.202000       1.002000      0.7009000       1.582000
  1 1 1     -14   17   10 o    7.069000      0.5495000       6.763000 0.9087000       7.375000      0.6182000     -0.6119000       1.099000
  1 1 1     -14   17   11 o    4.213000      0.4600000       3.633000 0.7377000       4.793000      0.5496000      -1.160000      0.9200000
  1 1 1     -14   17   12 o    4.661000      0.4272000       4.708000 0.5662000       4.614000      0.6397000      0.9375000E-01  0.8543000
  1 1 1     -14   17   13 o    4.549000      0.4327000       4.574000 0.5830000       4.523000      0.6397000      0.5107000E-01  0.8655000
  1 1 1     -14   17   14 o    3.930000      0.5232000       3.871000 0.7411000       3.989000      0.7388000     -0.1173000       1.046000
  1 1 1     -14   17   15 o    4.821000      0.4856000       5.301000 0.5921000       4.342000      0.7698000      0.9587000      0.9711000
  1 1 1     -14   17   16 o    3.733000      0.5721000       4.669000 0.6643000       2.797000      0.9316000       1.872000       1.144000
  1 1 1     -14   17   17 o    4.439000      0.5250000       4.639000 0.6850000       4.240000      0.7959000      0.3990000       1.050000
  1 1 1     -14   17   18 o    2.268000      0.6269000       2.469000 0.9138000       2.067000      0.8584000      0.4019000       1.254000
  1 1 1     -14   17   19 o    5.113000      0.4539000       5.354000 0.5894000       4.872000      0.6904000      0.4822000      0.9077000
  1 1 1     -14   17   20 o    5.050000      0.4797000       5.208000 0.6603000       4.893000      0.6959000      0.3148000      0.9593000
  1 1 1     -14   17   21 o    4.087000      0.6076000       4.275000 0.7910000       3.900000      0.9226000      0.3748000       1.215000
  1 1 1     -14   17   22 o    3.548000      0.6511000       3.255000 0.9573000       3.841000      0.8828000     -0.5855000       1.302000
  1 1 1     -14   17   23 o    3.102000      0.6834000       2.762000 0.9626000       3.443000      0.9704000     -0.6818000       1.367000
  1 1 1     -14   17   24 o    3.078000       1.100000       3.078000 1.100000                  ?              ?              ?              ?
  1 1 1     -14   18    1 o    15.17000      0.2702000       14.92000 0.3877000       15.43000      0.3764000     -0.5118000      0.5403000
  1 1 1     -14   18    2 o    8.495000      0.3411000       8.206000 0.4701000       8.783000      0.4945000     -0.5772000      0.6823000
  1 1 1     -14   18    3 o    4.136000      0.5667000       4.136000 0.7662000       4.135000      0.8351000      0.1132000E-02   1.133000
  1 1 1     -14   18    4 o    2.170000      0.5710000       2.286000 0.8369000       2.054000      0.7769000      0.2319000       1.142000
  1 1 1     -14   18    5 o    3.976000      0.4680000       3.505000 0.7436000       4.447000      0.5687000     -0.9419000      0.9361000
  1 1 1     -14   18    6 o    6.237000      0.5954000       5.527000 1.044000       6.948000      0.5722000      -1.421000       1.191000
  1 1 1     -14   18    7 o    3.760000      0.7842000       4.527000 1.174000       2.993000       1.040000       1.534000       1.568000
  1 1 1     -14   18    8 o    5.260000      0.3650000       5.654000 0.4980000       4.866000      0.5337000      0.7885000      0.7300000
  1 1 1     -14   18    9 o    2.792000      0.5622000       2.287000 0.8311000       3.297000      0.7573000      -1.010000       1.124000
  1 1 1     -14   18   10 o    4.523000      0.4404000       4.576000 0.5842000       4.470000      0.6592000      0.1066000      0.8808000
  1 1 1     -14   18   11 o    5.342000      0.3834000       5.532000 0.5271000       5.151000      0.5570000      0.3814000      0.7669000
  1 1 1     -14   18   12 o    4.490000      0.4633000       5.103000 0.5505000       3.877000      0.7454000       1.226000      0.9266000
  1 1 1     -14   18   13 o    5.684000      0.3928000       5.547000 0.5620000       5.821000      0.5490000     -0.2745000      0.7857000
  1 1 1     -14   18   14 o    2.767000      0.5897000       1.939000 0.8146000       3.596000      0.8530000      -1.658000       1.179000
  1 1 1     -14   18   15 o    3.898000      0.5730000       4.979000 0.6433000       2.817000      0.9485000       2.162000       1.146000
  1 1 1     -14   18   16 o    2.651000      0.6478000       2.456000 0.9093000       2.846000      0.9229000     -0.3906000       1.296000
  1 1 1     -14   18   17 o    2.090000      0.6149000       2.222000 0.8869000       1.957000      0.8520000      0.2652000       1.230000
  1 1 1     -14   18   18 o    3.710000      0.6152000       3.308000 0.9436000       4.113000      0.7897000     -0.8048000       1.230000
  1 1 1     -14   18   19 o    5.023000      0.5045000       4.547000 0.7610000       5.500000      0.6626000     -0.9528000       1.009000
  1 1 1     -14   18   20 o    2.267000      0.6190000       2.766000 0.9414000       1.768000      0.8040000      0.9979000       1.238000
  1 1 1     -14   18   21 o    4.312000      0.5745000       4.080000 0.7917000       4.544000      0.8327000     -0.4643000       1.149000
  1 1 1     -14   18   22 f    1.996000      0.5913000       2.427000 0.9188000       1.566000      0.7446000      0.8610000       1.183000
  1 1 1     -14   19    1 o    7.141000      0.4942000       7.141000 0.4942000                  ?              ?              ?              ?
  1 1 1     -14   19    2 o    2.471000      0.5990000       2.674000 0.8825000       2.268000      0.8103000      0.4057000       1.198000
  1 1 1     -14   19    3 o    3.569000      0.6648000       3.102000 1.162000       4.035000      0.6463000     -0.9328000       1.330000
  1 1 1     -14   19    4 o    9.944000      0.4249000       9.712000 0.6803000       10.18000      0.5092000     -0.4633000      0.8497000
  1 1 1     -14   19    5 o    9.623000      0.4446000       9.205000 0.7195000       10.04000      0.5227000     -0.8362000      0.8893000
  1 1 1     -14   19    6 o    10.77000      0.2692000       10.92000 0.3987000       10.63000      0.3619000      0.2863000      0.5385000
  1 1 1     -14   19    7 o    5.295000      0.3691000       5.393000 0.5166000       5.197000      0.5275000      0.1960000      0.7383000
  1 1 1     -14   19    8 o    4.080000      0.4807000       4.568000 0.6108000       3.592000      0.7425000      0.9760000      0.9614000
  1 1 1     -14   19    9 o    2.374000      0.5948000       2.580000 0.8489000       2.167000      0.8332000      0.4125000       1.190000
  1 1 1     -14   19   10 o    2.014000      0.5808000       2.155000 0.8558000       1.874000      0.7855000      0.2812000       1.162000
  1 1 1     -14   19   11 o    2.605000      0.6359000       2.456000 0.9068000       2.754000      0.8917000     -0.2983000       1.272000
  1 1 1     -14   19   12 o    3.750000      0.5805000       4.571000 0.7263000       2.929000      0.9057000       1.642000       1.161000
  1 1 1     -14   19   13 o    3.246000      0.6213000       3.688000 0.8308000       2.804000      0.9241000      0.8837000       1.243000
  1 1 1     -14   19   14 o    1.815000      0.5608000       1.540000 0.7185000       2.089000      0.8613000     -0.5482000       1.122000
  1 1 1     -14   19   15 o    2.284000      0.6202000       2.624000 0.9184000       1.943000      0.8338000      0.6808000       1.240000
  1 1 1     -14   19   16 o    2.435000      0.6543000       2.446000 0.9410000       2.424000      0.9095000      0.2199000E-01   1.309000
  1 1 1     -14   19   17 f    5.373000      0.4711000       5.057000 0.7353000       5.690000      0.5890000     -0.6331000      0.9421000
  1 1 1     -14   19   18 o    4.854000      0.5567000       3.781000 0.9483000       5.928000      0.5833000      -2.147000       1.113000
  1 1 1     -14   19   19 o    2.374000      0.6462000       2.837000 0.9811000       1.911000      0.8412000      0.9266000       1.292000
  1 1 1     -14   19   20 o    3.584000      0.6518000       3.729000 0.9047000       3.440000      0.9385000      0.2887000       1.304000
  1 1 1     -14   19   21 o    2.123000      0.6159000       1.601000 0.7608000       2.645000      0.9687000      -1.044000       1.232000
  1 1 1     -14   20    1 o    2.592000       1.089000       2.592000 1.089000                  ?              ?              ?              ?
  1 1 1     -14   20    2 o    4.930000      0.6337000       6.187000 0.8841000       3.673000      0.9081000       2.514000       1.267000
  1 1 1     -14   20    3 o    4.489000      0.6338000                  ?       ?   4.489000      0.6338000                  ?              ?
  1 1 1     -14   20    4 o    4.561000      0.4662000       4.783000 0.6762000       4.340000      0.6420000      0.4422000      0.9324000
  1 1 1     -14   20    5 o    5.536000      0.3991000       5.053000 0.6357000       6.018000      0.4827000     -0.9658000      0.7982000
  1 1 1     -14   20    6 o    5.394000      0.4042000       5.406000 0.5985000       5.382000      0.5434000      0.2430000E-01  0.8084000
  1 1 1     -14   20    7 o    2.590000      0.6283000       2.287000 0.9107000       2.894000      0.8659000     -0.6070000       1.257000
  1 1 1     -14   20    8 o    6.794000      0.3317000       6.553000 0.5068000       7.034000      0.4282000     -0.4811000      0.6635000
  1 1 1     -14   20    9 o    8.169000      0.3110000       8.397000 0.4428000       7.941000      0.4369000      0.4561000      0.6221000
  1 1 1     -14   20   10 o    2.430000      0.6176000       2.761000 0.8946000       2.098000      0.8517000      0.6634000       1.235000
  1 1 1     -14   20   11 o    2.912000      0.6140000       3.483000 0.8561000       2.341000      0.8803000       1.142000       1.228000
  1 1 1     -14   20   12 o    2.421000      0.6358000       2.257000 0.8856000       2.584000      0.9126000     -0.3265000       1.272000
  1 1 1     -14   20   13 o    2.635000      0.6181000       3.219000 0.8901000       2.052000      0.8577000       1.167000       1.236000
  1 1 1     -14   20   14 o    2.258000      0.6234000       1.674000 0.7821000       2.841000      0.9709000      -1.167000       1.247000
  1 1 1     -14   20   15 o    2.824000      0.6153000       3.672000 0.8854000       1.976000      0.8545000       1.696000       1.231000
  1 1 1     -14   20   16 o    4.336000      0.5762000       4.454000 0.7842000       4.218000      0.8445000      0.2359000       1.152000
  1 1 1     -14   20   17 o    5.613000      0.4463000       5.677000 0.6313000       5.549000      0.6311000      0.1282000      0.8927000
  1 1 1     -14   20   18 o    2.567000      0.6690000       2.831000 0.9484000       2.303000      0.9439000      0.5284000       1.338000
  1 1 1     -14   20   19 o    3.196000      0.6539000       2.552000 0.9413000       3.840000      0.9079000      -1.288000       1.308000
  1 1 1     -14   21    1 o    3.497000      0.6704000       3.523000 1.035000       3.472000      0.8523000      0.5138000E-01   1.341000
  1 1 1     -14   21    2 o    4.240000      0.6059000       4.365000 0.9149000       4.115000      0.7947000      0.2510000       1.212000
  1 1 1     -14   21    3 o    2.366000      0.6408000       1.973000 0.8731000       2.758000      0.9382000     -0.7856000       1.282000
  1 1 1     -14   21    4 o    3.279000      0.6199000       4.028000 0.8803000       2.530000      0.8731000       1.498000       1.240000
  1 1 1     -14   21    5 o    2.627000      0.6296000       2.238000 0.9116000       3.015000      0.8686000     -0.7773000       1.259000
  1 1 1     -14   21    6 o    1.674000      0.5447000       1.708000 0.7921000       1.641000      0.7478000      0.6634000E-01   1.089000
  1 1 1     -14   21    7 o    2.017000      0.6048000       2.061000 0.8693000       1.973000      0.8410000      0.8772000E-01   1.210000
  1 1 1     -14   21    8 o    4.629000      0.5031000       4.509000 0.7284000       4.749000      0.6941000     -0.2394000       1.006000
  1 1 1     -14   21    9 o    3.182000      0.6356000       3.633000 0.8784000       2.731000      0.9190000      0.9028000       1.271000
  1 1 1     -14   21   10 o    2.987000      0.5741000       1.965000 0.8415000       4.009000      0.7812000      -2.044000       1.148000
  1 1 1     -14   21   11 o    3.761000      0.6059000       3.395000 0.9065000       4.127000      0.8044000     -0.7321000       1.212000
  1 1 1     -14   21   12 o    1.787000      0.5695000       1.833000 0.8232000       1.740000      0.7871000      0.9306000E-01   1.139000
  1 1 1     -14   21   13 o    2.994000      0.6735000       2.654000 0.9627000       3.334000      0.9420000     -0.6807000       1.347000
  1 1 1     -14   21   14 o    2.623000      0.6605000       2.289000 0.9153000       2.957000      0.9524000     -0.6680000       1.321000
  1 1 1     -14   21   15 o    4.242000      0.6962000       4.609000 0.7887000       3.876000       1.147000      0.7324000       1.392000
  1 1 1     -14   21   16 o    2.649000      0.6187000       3.700000 0.9772000       1.598000      0.7590000       2.103000       1.237000
  1 1 1     -14   21   17 o    2.651000      0.7431000       3.146000 1.160000       2.156000      0.9293000      0.9900000       1.486000
  1 1 1     -14   22    1 o    2.396000      0.6519000       3.096000 1.042000       1.696000      0.7833000       1.401000       1.304000
  1 1 1     -14   22    2 o    4.437000      0.6468000       3.846000 1.059000       5.029000      0.7430000      -1.183000       1.294000
  1 1 1     -14   22    3 o    3.216000      0.7095000       3.722000 1.055000       2.710000      0.9494000       1.012000       1.419000
  1 1 1     -14   22    4 o    5.174000      0.5285000       4.850000 0.8801000       5.497000      0.5854000     -0.6465000       1.057000
  1 1 1     -14   22    5 o    2.336000      0.6486000       2.898000 1.018000       1.774000      0.8043000       1.124000       1.297000
  1 1 1     -14   22    6 o    4.765000      0.5332000       5.409000 0.7157000       4.120000      0.7905000       1.289000       1.066000
  1 1 1     -14   22    7 o    3.793000      0.6490000       3.436000 1.016000       4.151000      0.8075000     -0.7146000       1.298000
  1 1 1     -14   22    8 o    2.241000      0.6265000       1.762000 0.8191000       2.719000      0.9483000     -0.9578000       1.253000
  1 1 1     -14   22    9 o    2.569000      0.6767000       2.850000 1.004000       2.288000      0.9076000      0.5612000       1.353000
  1 1 1     -14   22   10 o    2.692000      0.6941000       3.033000 1.026000       2.350000      0.9354000      0.6831000       1.388000
  1 1 1     -14   22   11 o    2.580000      0.6743000       2.677000 0.9692000       2.483000      0.9377000      0.1939000       1.349000
  1 1 1     -14   22   12 o    3.661000      0.6518000       4.199000 0.8684000       3.124000      0.9721000       1.075000       1.304000
  1 1 1     -14   22   13 o    4.381000      0.5796000       4.632000 0.8441000       4.130000      0.7944000      0.5021000       1.159000
  1 1 1     -14   22   14 o    3.679000      0.6941000       3.825000 0.9626000       3.533000       1.000000      0.2923000       1.388000
  1 1 1     -14   22   15 o    2.121000      0.6359000       1.933000 0.8601000       2.308000      0.9368000     -0.3751000       1.272000
  1 1 1     -14   23    1 o    3.163000      0.6862000       2.495000 1.022000       3.831000      0.9163000      -1.336000       1.372000
  1 1 1     -14   23    2 o    1.987000      0.9166000       1.987000 0.9166000                  ?              ?              ?              ?
  1 1 1     -14   23    3 o    3.948000      0.6723000       3.140000 1.105000       4.756000      0.7657000      -1.616000       1.345000
  1 1 1     -14   23    4 o    4.657000      0.6826000       3.414000 1.221000       5.899000      0.6111000      -2.485000       1.365000
  1 1 1     -14   23    5 o    2.364000      0.7000000       2.422000 1.023000       2.306000      0.9557000      0.1161000       1.400000
  1 1 1     -14   23    6 o    2.431000      0.6964000       2.414000 1.008000       2.449000      0.9614000     -0.3508000E-01   1.393000
  1 1 1     -14   23    7 o    4.013000      0.6616000       3.575000 1.019000       4.451000      0.8439000     -0.8767000       1.323000
  1 1 1     -14   23    8 o    2.684000      0.6880000       2.298000 0.9751000       3.070000      0.9709000     -0.7717000       1.376000
  1 1 1     -14   23    9 o    2.671000      0.6889000       2.184000 0.9443000       3.158000       1.003000     -0.9742000       1.378000
  1 1 1     -14   23   10 o    2.162000      0.6553000       2.154000 0.9354000       2.170000      0.9180000     -0.1617000E-01   1.311000
  1 1 1     -14   23   11 o    2.681000      0.6971000       2.438000 0.9880000       2.923000      0.9836000     -0.4854000       1.394000
  1 1 1     -14   23   12 o    3.271000      0.7180000       3.519000 1.028000       3.022000       1.003000      0.4969000       1.436000
  1 1 1     -14   24    1 o    3.012000      0.7238000       2.725000 1.060000       3.299000      0.9854000     -0.5740000       1.448000
  1 1 1     -14   24    2 o    2.272000      0.9824000       2.272000 0.9824000                  ?              ?              ?              ?
  1 1 1     -14   24    3 f    2.846000      0.7380000       3.219000 1.097000       2.474000      0.9877000      0.7449000       1.476000
  1 1 1     -14   24    4 o    2.362000      0.9455000                  ?       ?   2.362000      0.9455000                  ?              ?
  1 1 1     -14   24    5 o    2.436000      0.7048000       2.370000 1.018000       2.502000      0.9754000     -0.1325000       1.410000
  1 1 1     -14   24    6 o    3.604000      0.7098000       4.385000 1.006000       2.822000       1.001000       1.563000       1.420000
  1 1 1     -14   24    7 o    3.727000      0.7157000       3.245000 1.076000       4.209000      0.9436000     -0.9637000       1.431000
  1 1 1     -14   24    8 o    3.301000      0.6749000       4.228000 0.9540000       2.373000      0.9550000       1.855000       1.350000
  1 1 1     -14   24    9 o    3.138000      0.8796000       3.032000 1.250000       3.243000       1.238000     -0.2115000       1.759000
  1 1 1     -14   25    1 o    2.613000       1.157000       2.613000 1.157000                  ?              ?              ?              ?
  1 1 1     -13  -37    1 o    2.745000      0.7509000       2.529000 1.038000       2.961000       1.085000     -0.4316000       1.502000
  1 1 1     -13  -37    2 o    3.432000      0.8505000       3.435000 1.379000       3.428000      0.9966000      0.6904000E-02   1.701000
  1 1 1     -13  -37    3 o    2.471000      0.7947000       2.957000 1.310000       1.986000      0.9008000      0.9710000       1.589000
  1 1 1     -13  -36    1 o    2.051000      0.6536000       1.910000 0.8953000       2.192000      0.9526000     -0.2823000       1.307000
  1 1 1     -13  -36    2 o    2.691000      0.7361000       2.624000 1.036000       2.758000       1.046000     -0.1345000       1.472000
  1 1 1     -13  -36    3 o    2.297000      0.6706000       1.961000 0.8922000       2.634000       1.002000     -0.6726000       1.341000
  1 1 1     -13  -36    4 o    2.895000      0.7465000       2.611000 1.039000       3.180000       1.072000     -0.5689000       1.493000
  1 1 1     -13  -36    5 o    2.447000      0.6866000       1.835000 0.8585000       3.059000       1.072000      -1.224000       1.373000
  1 1 1     -13  -36    6 o    2.257000      0.6871000       2.233000 0.9604000       2.282000      0.9827000     -0.4882000E-01   1.374000
  1 1 1     -13  -36    7 o    1.609000      0.5518000       1.543000 0.7488000       1.675000      0.8107000     -0.1324000       1.104000
  1 1 1     -13  -36    8 o    2.276000      0.6842000       2.276000 0.9549000       2.276000      0.9802000     -0.4237000E-03   1.368000
  1 1 1     -13  -36    9 o    3.467000      0.7245000       2.590000 0.9595000       4.344000       1.086000      -1.754000       1.449000
  1 1 1     -13  -35    1 o    2.146000      0.6316000       2.763000 1.021000       1.529000      0.7433000       1.234000       1.263000
  1 1 1     -13  -35    2 o    2.907000      0.7288000       2.895000 1.037000       2.919000       1.025000     -0.2402000E-01   1.458000
  1 1 1     -13  -35    3 o    2.280000      0.6589000       1.849000 0.8582000       2.710000       1.000000     -0.8604000       1.318000
  1 1 1     -13  -35    4 o    2.774000      0.7155000       3.331000 1.077000       2.217000      0.9420000       1.114000       1.431000
  1 1 1     -13  -35    5 o    2.233000      0.6659000       2.698000 1.037000       1.767000      0.8361000      0.9308000       1.332000
  1 1 1     -13  -35    6 o    2.148000      0.6590000       1.861000 0.8559000       2.434000       1.002000     -0.5736000       1.318000
  1 1 1     -13  -35    7 o    2.168000      0.6610000       2.297000 0.9538000       2.038000      0.9155000      0.2592000       1.322000
  1 1 1     -13  -35    8 o    2.093000      0.6561000       2.246000 0.9703000       1.940000      0.8834000      0.3060000       1.312000
  1 1 1     -13  -35    9 o    2.691000      0.7101000       2.083000 0.9256000       3.299000       1.077000      -1.216000       1.420000
  1 1 1     -13  -35   10 o    2.574000      0.6995000       2.200000 0.9259000       2.948000       1.049000     -0.7481000       1.399000
  1 1 1     -13  -35   11 o    2.936000      0.7447000       3.141000 1.052000       2.731000       1.054000      0.4100000       1.489000
  1 1 1     -13  -35   12 o    2.731000      0.7180000       3.075000 1.025000       2.387000       1.006000      0.6888000       1.436000
  1 1 1     -13  -34    1 o    3.999000      0.6323000       3.144000 1.027000       4.853000      0.7384000      -1.709000       1.265000
  1 1 1     -13  -34    2 o    5.495000      0.6199000       6.295000 0.9613000       4.696000      0.7830000       1.599000       1.240000
  1 1 1     -13  -34    3 o    3.488000      0.7017000       3.227000 1.045000       3.748000      0.9369000     -0.5211000       1.403000
  1 1 1     -13  -34    4 o    2.294000      0.6332000       3.088000 1.038000       1.500000      0.7258000       1.589000       1.266000
  1 1 1     -13  -34    5 o    2.913000      0.7024000       3.012000 0.9951000       2.815000      0.9915000      0.1970000       1.405000
  1 1 1     -13  -34    6 o    3.989000      0.6589000       4.101000 0.9327000       3.878000      0.9310000      0.2226000       1.318000
  1 1 1     -13  -34    7 o    6.073000      0.4411000       6.120000 0.6329000       6.026000      0.6146000      0.9399000E-01  0.8822000
  1 1 1     -13  -34    8 o    5.536000      0.5146000       5.783000 0.7333000       5.289000      0.7223000      0.4943000       1.029000
  1 1 1     -13  -34    9 o    3.193000      0.7311000       3.175000 1.052000       3.210000       1.016000     -0.3489000E-01   1.462000
  1 1 1     -13  -34   10 o    3.331000      0.6908000       2.685000 1.013000       3.977000      0.9394000      -1.291000       1.382000
  1 1 1     -13  -34   11 o    2.442000      0.6386000       3.189000 0.9974000       1.696000      0.7977000       1.493000       1.277000
  1 1 1     -13  -34   12 o    3.254000      0.7319000       3.546000 1.039000       2.961000       1.031000      0.5851000       1.464000
  1 1 1     -13  -34   13 o    2.450000      0.6813000       2.770000 0.9964000       2.130000      0.9296000      0.6401000       1.363000
  1 1 1     -13  -34   14 o    2.098000      0.6587000       2.142000 0.9383000       2.054000      0.9247000      0.8809000E-01   1.317000
  1 1 1     -13  -34   15 o    2.720000      0.7223000       2.829000 0.9995000       2.612000       1.043000      0.2167000       1.445000
  1 1 1     -13  -33    1 o    2.145000      0.6204000       1.865000 0.8420000       2.424000      0.9114000     -0.5586000       1.241000
  1 1 1     -13  -33    2 o    1.771000      0.5686000       1.862000 0.8365000       1.680000      0.7703000      0.1824000       1.137000
  1 1 1     -13  -33    3 o    3.470000      0.6327000       2.949000 0.9747000       3.991000      0.8069000      -1.043000       1.265000
  1 1 1     -13  -33    4 o    2.235000      0.6317000       2.011000 0.8704000       2.458000      0.9156000     -0.4467000       1.263000
  1 1 1     -13  -33    5 o    2.641000      0.6539000       3.118000 0.9613000       2.164000      0.8867000      0.9534000       1.308000
  1 1 1     -13  -33    6 o    3.700000      0.6250000       4.066000 0.8655000       3.334000      0.9020000      0.7317000       1.250000
  1 1 1     -13  -33    7 o    2.161000      0.6314000       2.318000 0.9220000       2.004000      0.8628000      0.3146000       1.263000
  1 1 1     -13  -33    8 o    3.298000      0.6409000       3.868000 0.8826000       2.727000      0.9295000       1.142000       1.282000
  1 1 1     -13  -33    9 o    3.359000      0.6688000       3.156000 0.9790000       3.562000      0.9115000     -0.4068000       1.338000
  1 1 1     -13  -33   10 o    3.970000      0.6491000       4.177000 0.9195000       3.763000      0.9165000      0.4138000       1.298000
  1 1 1     -13  -33   11 o    6.619000      0.4271000       6.761000 0.5898000       6.478000      0.6178000      0.2833000      0.8541000
  1 1 1     -13  -33   12 o    2.992000      0.7299000       2.869000 1.054000       3.116000       1.010000     -0.2465000       1.460000
  1 1 1     -13  -33   13 f    2.907000      0.7195000       3.067000 1.019000       2.748000       1.016000      0.3190000       1.439000
  1 1 1     -13  -33   14 o    4.039000      0.6496000       4.139000 0.8759000       3.938000      0.9595000      0.2002000       1.299000
  1 1 1     -13  -33   15 o    3.855000      0.7088000       4.207000 0.9370000       3.503000       1.064000      0.7045000       1.418000
  1 1 1     -13  -33   16 o    3.124000      0.7001000       3.716000 0.9509000       2.532000       1.028000       1.184000       1.400000
  1 1 1     -13  -33   17 o    3.742000       1.036000       3.742000 1.036000                  ?              ?              ?              ?
  1 1 1     -13  -32    1 o    3.720000      0.5464000       4.205000 0.7789000       3.236000      0.7665000      0.9692000       1.093000
  1 1 1     -13  -32    2 f    4.983000      0.4254000       5.197000 0.5936000       4.769000      0.6094000      0.4286000      0.8507000
  1 1 1     -13  -32    3 o    2.626000      0.5257000       1.535000 0.7204000       3.716000      0.7657000      -2.181000       1.051000
  1 1 1     -13  -32    4 o    3.100000      0.6097000       3.110000 0.8686000       3.091000      0.8558000      0.1924000E-01   1.219000
  1 1 1     -13  -32    5 o    3.727000      0.5573000       4.462000 0.6877000       2.992000      0.8773000       1.470000       1.115000
  1 1 1     -13  -32    6 f    4.768000      0.4440000       4.848000 0.6448000       4.687000      0.6105000      0.1608000      0.8880000
  1 1 1     -13  -32    7 f    5.632000      0.3965000       5.263000 0.6194000       6.001000      0.4953000     -0.7381000      0.7931000
  1 1 1     -13  -32    8 o    5.552000      0.4028000       5.854000 0.5352000       5.250000      0.6021000      0.6046000      0.8056000
  1 1 1     -13  -32    9 o    3.561000      0.5790000       3.567000 0.7979000       3.556000      0.8393000      0.1056000E-01   1.158000
  1 1 1     -13  -32   10 o    3.071000      0.6727000       3.050000 0.9602000       3.092000      0.9425000     -0.4172000E-01   1.345000
  1 1 1     -13  -32   11 o    2.521000      0.6778000       2.566000 0.9517000       2.475000      0.9654000      0.9103000E-01   1.356000
  1 1 1     -13  -32   12 o    1.805000      0.5742000       1.727000 0.7849000       1.882000      0.8383000     -0.1546000       1.148000
  1 1 1     -13  -32   13 o    4.460000      0.5770000       5.021000 0.7465000       3.899000      0.8802000       1.122000       1.154000
  1 1 1     -13  -32   14 o    6.030000      0.4659000       5.701000 0.6816000       6.359000      0.6353000     -0.6585000      0.9317000
  1 1 1     -13  -32   15 o    5.646000      0.5147000       6.900000 0.5434000       4.393000      0.8744000       2.507000       1.029000
  1 1 1     -13  -32   16 o    5.512000      0.5384000       5.980000 0.6829000       5.044000      0.8325000      0.9361000       1.077000
  1 1 1     -13  -32   17 o    2.748000      0.6689000       3.300000 0.9498000       2.197000      0.9421000       1.103000       1.338000
  1 1 1     -13  -32   18 o    2.761000      0.7431000       2.877000 1.050000       2.644000       1.052000      0.2332000       1.486000
  1 1 1     -13  -32   19 o    2.077000      0.6554000       1.856000 0.8708000       2.298000      0.9797000     -0.4420000       1.311000
  1 1 1     -13  -31    1 o    9.147000      0.2682000       9.265000 0.4028000       9.030000      0.3543000      0.2348000      0.5365000
  1 1 1     -13  -31    2 o    3.331000      0.5462000       4.168000 0.6817000       2.493000      0.8535000       1.674000       1.092000
  1 1 1     -13  -31    3 o    6.535000      0.3106000       6.199000 0.4596000       6.870000      0.4180000     -0.6712000      0.6212000
  1 1 1     -13  -31    4 o    3.716000      0.5103000       4.191000 0.6464000       3.241000      0.7899000      0.9497000       1.021000
  1 1 1     -13  -31    5 o    1.894000      0.5483000       1.512000 0.7059000       2.276000      0.8392000     -0.7637000       1.097000
  1 1 1     -13  -31    6 o    4.633000      0.4366000       5.192000 0.5620000       4.075000      0.6684000       1.117000      0.8732000
  1 1 1     -13  -31    7 o    5.918000      0.3612000       5.620000 0.5390000       6.216000      0.4809000     -0.5957000      0.7223000
  1 1 1     -13  -31    8 o    2.523000      0.6119000       2.831000 0.8522000       2.216000      0.8781000      0.6153000       1.224000
  1 1 1     -13  -31    9 o    2.275000      0.6069000       2.153000 0.8307000       2.398000      0.8849000     -0.2454000       1.214000
  1 1 1     -13  -31   10 o    3.406000      0.5692000       3.685000 0.7164000       3.126000      0.8846000      0.5594000       1.138000
  1 1 1     -13  -31   11 o    3.848000      0.5142000       3.795000 0.6903000       3.901000      0.7624000     -0.1062000       1.028000
  1 1 1     -13  -31   12 o    3.593000      0.6159000       3.270000 0.8981000       3.916000      0.8431000     -0.6460000       1.232000
  1 1 1     -13  -31   13 o    3.337000      0.6486000       3.348000 0.8876000       3.325000      0.9461000      0.2308000E-01   1.297000
  1 1 1     -13  -31   14 o    3.202000      0.6425000       2.702000 0.9171000       3.701000      0.9001000     -0.9990000       1.285000
  1 1 1     -13  -31   15 f    2.275000      0.6450000       1.936000 0.8518000       2.614000      0.9687000     -0.6789000       1.290000
  1 1 1     -13  -31   16 o    1.939000      0.5903000       2.336000 0.9171000       1.542000      0.7435000      0.7940000       1.181000
  1 1 1     -13  -31   17 o    4.622000      0.5851000       4.488000 0.8314000       4.755000      0.8236000     -0.2674000       1.170000
  1 1 1     -13  -31   18 o    3.656000      0.6868000       3.783000 0.9331000       3.530000       1.008000      0.2530000       1.374000
  1 1 1     -13  -31   19 o    3.588000      0.7398000       3.732000 1.041000       3.443000       1.051000      0.2891000       1.480000
  1 1 1     -13  -31   20 o    3.150000      0.7558000       3.056000 1.068000       3.244000       1.069000     -0.1878000       1.512000
  1 1 1     -13  -31   21 o    4.297000       1.364000       4.297000 1.364000                  ?              ?              ?              ?
  1 1 1     -13  -30    1 o    6.068000      0.3985000       5.850000 0.5300000       6.285000      0.5953000     -0.4356000      0.7970000
  1 1 1     -13  -30    2 o    5.693000      0.4322000       6.133000 0.5064000       5.253000      0.7006000      0.8803000      0.8645000
  1 1 1     -13  -30    3 o    3.719000      0.5769000       4.656000 0.6330000       2.781000      0.9647000       1.875000       1.154000
  1 1 1     -13  -30    4 o    2.257000      0.6354000       2.056000 0.8413000       2.458000      0.9524000     -0.4021000       1.271000
  1 1 1     -13  -30    5 o    4.384000      0.5236000       4.242000 0.6729000       4.525000      0.8023000     -0.2829000       1.047000
  1 1 1     -13  -30    6 o    6.443000      0.2959000       6.780000 0.3879000       6.106000      0.4469000      0.6736000      0.5918000
  1 1 1     -13  -30    7 o    6.099000      0.3056000       6.323000 0.4112000       5.874000      0.4522000      0.4495000      0.6112000
  1 1 1     -13  -30    8 o    2.967000      0.5459000       3.316000 0.7044000       2.617000      0.8342000      0.6989000       1.092000
  1 1 1     -13  -30    9 f    3.400000      0.5553000       3.524000 0.7526000       3.277000      0.8167000      0.2472000       1.111000
  1 1 1     -13  -30   10 o    5.354000      0.3993000       5.694000 0.5098000       5.014000      0.6147000      0.6801000      0.7986000
  1 1 1     -13  -30   11 o    1.950000      0.5463000       1.372000 0.6464000       2.527000      0.8809000      -1.155000       1.093000
  1 1 1     -13  -30   12 o    4.723000      0.4120000       4.412000 0.5563000       5.033000      0.6079000     -0.6203000      0.8240000
  1 1 1     -13  -30   13 o    6.957000      0.3278000       7.112000 0.4366000       6.803000      0.4891000      0.3092000      0.6556000
  1 1 1     -13  -30   14 o    3.229000      0.6345000       3.051000 0.8900000       3.408000      0.9047000     -0.3574000       1.269000
  1 1 1     -13  -30   15 o    3.359000      0.5983000       4.277000 0.7315000       2.442000      0.9469000       1.835000       1.197000
  1 1 1     -13  -30   16 o    2.692000      0.6506000       3.131000 0.9290000       2.254000      0.9110000      0.8765000       1.301000
  1 1 1     -13  -30   17 o    2.320000      0.6659000       2.372000 0.9374000       2.269000      0.9460000      0.1026000       1.332000
  1 1 1     -13  -30   18 o    2.079000      0.8998000       2.079000 0.8998000                  ?              ?              ?              ?
  1 1 1     -13  -30   19 o    3.760000      0.7170000       3.803000 0.9856000       3.717000       1.042000      0.8594000E-01   1.434000
  1 1 1     -13  -30   20 o    2.003000      0.9144000                  ?       ?   2.003000      0.9144000                  ?              ?
  1 1 1     -13  -30   21 o    2.637000      0.6955000       2.988000 0.9964000       2.286000      0.9705000      0.7018000       1.391000
  1 1 1     -13  -30   22 o    2.049000      0.6443000       2.151000 0.9400000       1.948000      0.8816000      0.2034000       1.289000
  1 1 1     -13  -29    1 o    8.121000      0.2424000       8.093000 0.3514000       8.148000      0.3340000     -0.5492000E-01  0.4848000
  1 1 1     -13  -29    2 o    9.505000      0.2381000       9.314000 0.3467000       9.695000      0.3265000     -0.3815000      0.4762000
  1 1 1     -13  -29    3 o    4.759000      0.3521000       4.665000 0.5309000       4.854000      0.4626000     -0.1888000      0.7042000
  1 1 1     -13  -29    4 o    3.667000      0.4187000       3.312000 0.6286000       4.022000      0.5532000     -0.7101000      0.8373000
  1 1 1     -13  -29    5 o    5.346000      0.3066000       5.485000 0.4071000       5.207000      0.4585000      0.2781000      0.6131000
  1 1 1     -13  -29    6 o    6.302000      0.2787000       6.203000 0.3938000       6.401000      0.3945000     -0.1977000      0.5574000
  1 1 1     -13  -29    7 o    1.689000      0.5353000       1.231000 0.5814000       2.147000      0.8989000     -0.9160000       1.071000
  1 1 1     -13  -29    8 o    1.924000      0.5846000       1.641000 0.7161000       2.207000      0.9242000     -0.5658000       1.169000
  1 1 1     -13  -29    9 o    5.731000      0.4580000       5.978000 0.4890000       5.484000      0.7746000      0.4936000      0.9160000
  1 1 1     -13  -29   10 o    5.490000      0.4731000       5.482000 0.5222000       5.498000      0.7890000     -0.1587000E-01  0.9462000
  1 1 1     -13  -29   11 o    3.544000      0.5214000       3.664000 0.6193000       3.424000      0.8390000      0.2398000       1.043000
  1 1 1     -13  -29   12 o    6.910000      0.2948000       6.915000 0.3981000       6.906000      0.4349000      0.9445000E-02  0.5896000
  1 1 1     -13  -29   13 o    4.593000      0.4513000       5.119000 0.5254000       4.068000      0.7339000       1.051000      0.9026000
  1 1 1     -13  -29   14 o    2.082000      0.6038000       2.040000 0.8403000       2.124000      0.8674000     -0.8367000E-01   1.208000
  1 1 1     -13  -29   15 o    5.187000      0.4274000       4.746000 0.5947000       5.628000      0.6140000     -0.8816000      0.8547000
  1 1 1     -13  -29   16 o    4.068000      0.5676000       4.647000 0.6765000       3.490000      0.9116000       1.157000       1.135000
  1 1 1     -13  -29   17 o    2.122000      0.6189000       2.011000 0.8219000       2.232000      0.9254000     -0.2215000       1.238000
  1 1 1     -13  -29   18 o    3.071000      0.9460000       3.071000 0.9460000                  ?              ?              ?              ?
  1 1 1     -13  -29   19 o    2.581000      0.6862000       2.538000 0.9285000       2.623000       1.011000     -0.8448000E-01   1.372000
  1 1 1     -13  -29   20 o    1.629000      0.7890000                  ?       ?   1.629000      0.7890000                  ?              ?
  1 1 1     -13  -29   21 o    2.349000      0.6741000       2.503000 0.9709000       2.194000      0.9355000      0.3098000       1.348000
  1 1 1     -13  -29   22 o    2.171000      0.6425000       2.482000 0.9600000       1.860000      0.8541000      0.6221000       1.285000
  1 1 1     -13  -29   23 o    2.895000      0.6439000       3.782000 0.9376000       2.007000      0.8828000       1.774000       1.288000
  1 1 1     -13  -28    1 f    10.45000      0.2243000       10.45000 0.3202000       10.45000      0.3143000     -0.1987000E-02  0.4487000
  1 1 1     -13  -28    2 f    4.410000      0.5633000       4.250000 1.052000       4.570000      0.4018000     -0.3198000       1.127000
  1 1 1     -13  -28    3 o    5.914000      0.4917000       5.988000 0.7945000       5.840000      0.5797000      0.1485000      0.9835000
  1 1 1     -13  -28    4 o    2.579000      0.6614000       3.374000 1.070000       1.783000      0.7775000       1.590000       1.323000
  1 1 1     -13  -28    5 o    2.484000      0.6863000       2.242000 1.012000       2.727000      0.9270000     -0.4847000       1.373000
  1 1 1     -13  -28    6 o    4.206000      0.6760000       3.550000 1.133000       4.861000      0.7380000      -1.311000       1.352000
  1 1 1     -13  -28    7 o    6.112000      0.2657000       5.919000 0.3793000       6.305000      0.3722000     -0.3859000      0.5314000
  1 1 1     -13  -28    8 o    3.584000      0.4347000       3.429000 0.5801000       3.739000      0.6477000     -0.3094000      0.8695000
  1 1 1     -13  -28    9 o    8.946000      0.2454000       8.888000 0.3375000       9.004000      0.3562000     -0.1164000      0.4907000
  1 1 1     -13  -28   10 o    1.431000      0.4622000       1.415000 0.6376000       1.447000      0.6693000     -0.3209000E-01  0.9244000
  1 1 1     -13  -28   11 o    4.235000      0.5281000       4.577000 0.5029000       3.893000      0.9287000      0.6842000       1.056000
  1 1 1     -13  -28   12 o    6.283000      0.4211000       6.709000 0.4618000       5.858000      0.7043000      0.8509000      0.8422000
  1 1 1     -13  -28   13 o    4.115000      0.6699000       3.835000 0.8029000       4.395000       1.073000     -0.5601000       1.340000
  1 1 1     -13  -28   14 o    3.336000      0.6094000       3.468000 0.8638000       3.205000      0.8600000      0.2627000       1.219000
  1 1 1     -13  -28   15 o    5.530000      0.3936000       5.770000 0.5076000       5.290000      0.6017000      0.4791000      0.7872000
  1 1 1     -13  -28   16 o    2.102000      0.5892000       1.581000 0.7306000       2.623000      0.9245000      -1.042000       1.178000
  1 1 1     -13  -28   17 o    4.412000      0.4963000       4.222000 0.6800000       4.603000      0.7233000     -0.3810000      0.9927000
  1 1 1     -13  -28   18 o    3.859000      0.6194000       4.750000 0.7100000       2.968000       1.015000       1.781000       1.239000
  1 1 1     -13  -28   19 f    2.434000      0.6695000       2.381000 0.9146000       2.487000      0.9780000     -0.1065000       1.339000
  1 1 1     -13  -28   20 o    3.520000      0.6475000       2.591000 0.9695000       4.449000      0.8585000      -1.858000       1.295000
  1 1 1     -13  -28   21 o    2.472000      0.6664000       2.584000 0.9356000       2.360000      0.9492000      0.2231000       1.333000
  1 1 1     -13  -28   22 o    4.226000      0.6082000       4.308000 0.8142000       4.145000      0.9036000      0.1622000       1.216000
  1 1 1     -13  -28   23 o    3.291000      0.6915000       3.287000 0.9747000       3.296000      0.9811000     -0.9733000E-02   1.383000
  1 1 1     -13  -28   24 o    2.127000      0.6291000       2.377000 0.9287000       1.878000      0.8490000      0.4987000       1.258000
  1 1 1     -13  -28   25 o    4.585000       1.242000       4.585000 1.242000                  ?              ?              ?              ?
  1 1 1     -13  -27    1 o    4.254000      0.3432000       4.086000 0.5189000       4.422000      0.4492000     -0.3364000      0.6863000
  1 1 1     -13  -27    2 o    7.078000      0.2313000       7.224000 0.3249000       6.931000      0.3292000      0.2930000      0.4625000
  1 1 1     -13  -27    3 o    1.642000      0.4817000       1.499000 0.6484000       1.785000      0.7126000     -0.2861000      0.9635000
  1 1 1     -13  -27    4 o    10.57000      0.2257000       10.61000 0.3197000       10.54000      0.3186000      0.6468000E-01  0.4514000
  1 1 1     -13  -27    5 o    3.048000      0.4504000       3.412000 0.5241000       2.684000      0.7326000      0.7281000      0.9008000
  1 1 1     -13  -27    6 o    1.901000      0.5138000       1.492000 0.6578000       2.310000      0.7894000     -0.8175000       1.028000
  1 1 1     -13  -27    7 f    3.959000      0.4124000       4.567000 0.4873000       3.351000      0.6654000       1.216000      0.8247000
  1 1 1     -13  -27    8 o    2.224000      0.6584000       1.964000 0.9296000       2.483000      0.9328000     -0.5191000       1.317000
  1 1 1     -13  -27    9 o    3.337000      0.7097000       2.938000 1.121000       3.736000      0.8712000     -0.7973000       1.419000
  1 1 1     -13  -27   10 o    11.46000      0.3905000       11.32000 0.6074000       11.60000      0.4910000     -0.2761000      0.7810000
  1 1 1     -13  -27   11 o    6.652000      0.3654000       6.621000 0.4171000       6.683000      0.6001000     -0.6188000E-01  0.7309000
  1 1 1     -13  -27   12 o    5.067000      0.3697000       4.830000 0.5165000       5.304000      0.5291000     -0.4742000      0.7394000
  1 1 1     -13  -27   13 o    3.429000      0.5584000       2.798000 0.8524000       4.059000      0.7216000      -1.261000       1.117000
  1 1 1     -13  -27   14 o    4.883000      0.4454000       4.490000 0.6522000       5.275000      0.6068000     -0.7849000      0.8908000
  1 1 1     -13  -27   15 o    2.522000      0.6706000       1.480000 0.6929000       3.564000       1.148000      -2.085000       1.341000
  1 1 1     -13  -27   16 o    3.741000      0.7363000       3.681000 0.8694000       3.800000       1.188000     -0.1189000       1.473000
  1 1 1     -13  -27   17 o    6.966000      0.3841000       7.299000 0.5324000       6.633000      0.5539000      0.6660000      0.7683000
  1 1 1     -13  -27   18 o    4.107000      0.5705000       4.788000 0.6342000       3.427000      0.9485000       1.361000       1.141000
  1 1 1     -13  -27   19 o    1.904000      0.5945000       1.878000 0.8203000       1.931000      0.8608000     -0.5340000E-01   1.189000
  1 1 1     -13  -27   20 o    2.070000      0.6120000       1.977000 0.8426000       2.164000      0.8876000     -0.1873000       1.224000
  1 1 1     -13  -27   21 o    4.372000      0.5551000       4.423000 0.7396000       4.320000      0.8281000      0.1033000       1.110000
  1 1 1     -13  -27   22 o    4.368000      0.6170000       4.839000 0.7813000       3.896000      0.9553000      0.9426000       1.234000
  1 1 1     -13  -27   23 o    3.375000      0.6860000       3.200000 0.9952000       3.550000      0.9445000     -0.3502000       1.372000
  1 1 1     -13  -27   24 o    3.175000      0.6460000       3.389000 0.8656000       2.960000      0.9591000      0.4283000       1.292000
  1 1 1     -13  -27   25 o    1.974000      0.5971000       2.173000 0.8797000       1.775000      0.8075000      0.3978000       1.194000
  1 1 1     -13  -27   26 f    2.442000      0.6349000       3.048000 0.9624000       1.836000      0.8283000       1.212000       1.270000
  1 1 1     -13  -26    1 o    1.269000      0.4044000      0.9610000 0.4696000       1.576000      0.6584000     -0.6152000      0.8087000
  1 1 1     -13  -26    2 o    3.391000      0.3926000       3.399000 0.5522000       3.382000      0.5582000      0.1711000E-01  0.7852000
  1 1 1     -13  -26    3 o    8.178000      0.2172000       8.420000 0.2962000       7.937000      0.3177000      0.4832000      0.4344000
  1 1 1     -13  -26    4 o    7.757000      0.2318000       7.642000 0.3274000       7.872000      0.3284000     -0.2296000      0.4637000
  1 1 1     -13  -26    5 o    7.268000      0.2310000       7.418000 0.3182000       7.118000      0.3351000      0.2992000      0.4621000
  1 1 1     -13  -26    6 o    5.989000      0.2762000       6.016000 0.3725000       5.963000      0.4079000      0.5292000E-01  0.5524000
  1 1 1     -13  -26    7 o    5.811000      0.2856000       5.773000 0.3847000       5.850000      0.4221000     -0.7714000E-01  0.5711000
  1 1 1     -13  -26    8 o    7.854000      0.2505000       7.320000 0.3609000       8.388000      0.3475000      -1.068000      0.5010000
  1 1 1     -13  -26    9 o    9.650000      0.2410000       9.740000 0.3389000       9.559000      0.3429000      0.1803000      0.4821000
  1 1 1     -13  -26   10 o    9.030000      0.2489000       8.942000 0.3486000       9.117000      0.3553000     -0.1748000      0.4978000
  1 1 1     -13  -26   11 o    1.358000      0.4477000       1.520000 0.6794000       1.197000      0.5834000      0.3231000      0.8955000
  1 1 1     -13  -26   12 o    2.848000      0.7398000       3.099000 1.149000       2.597000      0.9324000      0.5022000       1.480000
  1 1 1     -13  -26   13 o    5.252000      0.6643000       5.802000 1.043000       4.702000      0.8230000       1.100000       1.329000
  1 1 1     -13  -26   14 o    2.333000      0.6167000       2.169000 0.7842000       2.496000      0.9521000     -0.3267000       1.233000
  1 1 1     -13  -26   15 o    2.860000      0.5891000       2.025000 0.8181000       3.695000      0.8480000      -1.670000       1.178000
  1 1 1     -13  -26   16 o    9.149000      0.2867000       9.393000 0.3873000       8.905000      0.4227000      0.4884000      0.5733000
  1 1 1     -13  -26   17 o    2.417000      0.5851000       3.061000 0.8639000       1.772000      0.7893000       1.288000       1.170000
  1 1 1     -13  -26   18 o    5.640000      0.5828000       5.611000 0.6024000       5.669000      0.9978000     -0.5769000E-01   1.166000
  1 1 1     -13  -26   19 o    4.884000      0.7919000       4.884000 0.7919000                  ?              ?              ?              ?
  1 1 1     -13  -26   20 o    7.920000      0.3418000       8.120000 0.4572000       7.719000      0.5082000      0.4011000      0.6836000
  1 1 1     -13  -26   21 o    2.167000      0.8984000                  ?       ?   2.167000      0.8984000                  ?              ?
  1 1 1     -13  -26   22 o    3.080000      0.6049000       4.019000 0.8205000       2.141000      0.8890000       1.878000       1.210000
  1 1 1     -13  -26   23 o    4.013000      0.5935000       3.793000 0.8469000       4.233000      0.8317000     -0.4397000       1.187000
  1 1 1     -13  -26   24 o    2.185000      0.6491000       2.151000 0.8998000       2.219000      0.9358000     -0.6756000E-01   1.298000
  1 1 1     -13  -26   25 o    3.300000      0.6832000       3.524000 0.9474000       3.075000      0.9846000      0.4485000       1.366000
  1 1 1     -13  -26   26 o    2.852000      0.7004000       2.829000 0.9820000       2.875000      0.9989000     -0.4663000E-01   1.401000
  1 1 1     -13  -26   27 o    3.913000      0.6553000       3.728000 0.9365000       4.098000      0.9169000     -0.3698000       1.311000
  1 1 1     -13  -25    1 o    5.538000      0.2523000       5.800000 0.3451000       5.275000      0.3682000      0.5252000      0.5047000
  1 1 1     -13  -25    2 o    4.962000      0.2715000       5.196000 0.3601000       4.727000      0.4065000      0.4684000      0.5431000
  1 1 1     -13  -25    3 o    5.703000      0.2432000       5.608000 0.3366000       5.798000      0.3512000     -0.1898000      0.4865000
  1 1 1     -13  -25    4 o    2.081000      0.4726000       2.562000 0.6619000       1.601000      0.6747000      0.9607000      0.9452000
  1 1 1     -13  -25    5 o    5.313000      0.2674000       5.102000 0.3749000       5.524000      0.3815000     -0.4217000      0.5348000
  1 1 1     -13  -25    6 o    4.507000      0.3381000       4.465000 0.4585000       4.548000      0.4970000     -0.8275000E-01  0.6762000
  1 1 1     -13  -25    7 o    4.597000      0.3354000       4.745000 0.4441000       4.449000      0.5026000      0.2965000      0.6707000
  1 1 1     -13  -25    8 o    3.898000      0.4025000       4.331000 0.4569000       3.466000      0.6628000      0.8655000      0.8050000
  1 1 1     -13  -25    9 o    3.769000      0.4128000       3.378000 0.5965000       4.159000      0.5708000     -0.7812000      0.8256000
  1 1 1     -13  -25   10 f    3.214000      0.5083000       3.132000 0.6736000       3.296000      0.7614000     -0.1641000       1.017000
  1 1 1     -13  -25   11 o    3.600000      0.4615000       2.979000 0.7053000       4.221000      0.5953000      -1.242000      0.9230000
  1 1 1     -13  -25   12 o    1.442000      0.4713000       1.415000 0.6456000       1.470000      0.6868000     -0.5437000E-01  0.9426000
  1 1 1     -13  -25   13 o    6.025000      0.3071000       5.725000 0.4291000       6.325000      0.4395000     -0.5995000      0.6143000
  1 1 1     -13  -25   14 o    5.416000      0.3560000       5.330000 0.4853000       5.501000      0.5211000     -0.1717000      0.7121000
  1 1 1     -13  -25   15 o    4.594000      0.7024000       3.997000 1.170000       5.191000      0.7778000      -1.194000       1.405000
  1 1 1     -13  -25   16 o    6.678000      0.5826000       6.980000 0.9578000       6.375000      0.6636000      0.6055000       1.165000
  1 1 1     -13  -25   17 o    3.560000      0.5835000       3.841000 0.7225000       3.278000      0.9165000      0.5634000       1.167000
  1 1 1     -13  -25   18 o    5.881000      0.4120000       5.921000 0.5341000       5.841000      0.6276000      0.8049000E-01  0.8241000
  1 1 1     -13  -25   19 o    3.688000      0.7563000       3.688000 0.7563000                  ?              ?              ?              ?
  1 1 1     -13  -25   20 o    3.038000      0.7774000       2.646000 0.9516000       3.430000       1.230000     -0.7848000       1.555000
  1 1 1     -13  -25   21 o    2.959000       1.115000                  ?       ?   2.959000       1.115000                  ?              ?
  1 1 1     -13  -25   22 o    2.803000      0.6069000       1.916000 0.8195000       3.691000      0.8952000      -1.775000       1.214000
  1 1 1     -13  -25   23 o    2.934000      0.6468000       2.363000 0.9102000       3.504000      0.9193000      -1.141000       1.294000
  1 1 1     -13  -25   24 o    2.290000      0.6529000       2.151000 0.8820000       2.429000      0.9630000     -0.2780000       1.306000
  1 1 1     -13  -25   25 o    4.324000      0.5546000       4.614000 0.7137000       4.035000      0.8492000      0.5787000       1.109000
  1 1 1     -13  -25   26 o    2.272000      0.6366000       2.118000 0.8831000       2.425000      0.9172000     -0.3073000       1.273000
  1 1 1     -13  -25   27 o    3.359000      0.6463000       3.854000 0.8421000       2.863000      0.9807000      0.9908000       1.293000
  1 1 1     -13  -25   28 o    2.503000      0.7405000       2.879000 1.172000       2.127000      0.9052000      0.7523000       1.481000
  1 1 1     -13  -24    1 o    6.759000      0.2239000       6.692000 0.3088000       6.826000      0.3243000     -0.1341000      0.4478000
  1 1 1     -13  -24    2 o    2.842000      0.3954000       2.598000 0.5619000       3.085000      0.5565000     -0.4864000      0.7908000
  1 1 1     -13  -24    3 o    3.415000      0.3603000       3.473000 0.4718000       3.358000      0.5446000      0.1155000      0.7206000
  1 1 1     -13  -24    4 f    9.438000      0.2211000       9.303000 0.3103000       9.573000      0.3150000     -0.2708000      0.4422000
  1 1 1     -13  -24    5 o    5.761000      0.2571000       6.357000 0.3342000       5.165000      0.3907000       1.192000      0.5142000
  1 1 1     -13  -24    6 o    6.056000      0.2565000       5.869000 0.3548000       6.243000      0.3707000     -0.3733000      0.5131000
  1 1 1     -13  -24    7 o    11.24000      0.2303000       11.14000 0.3259000       11.34000      0.3256000     -0.2019000      0.4607000
  1 1 1     -13  -24    8 o    2.981000      0.4701000       2.832000 0.6359000       3.129000      0.6925000     -0.2963000      0.9402000
  1 1 1     -13  -24    9 o    8.099000      0.2541000       8.026000 0.3519000       8.173000      0.3667000     -0.1474000      0.5082000
  1 1 1     -13  -24   10 o    2.324000      0.5626000       2.293000 0.7851000       2.356000      0.8061000     -0.6216000E-01   1.125000
  1 1 1     -13  -24   11 o    2.369000      0.5304000       2.955000 0.7328000       1.784000      0.7671000       1.171000       1.061000
  1 1 1     -13  -24   12 o    3.887000      0.4557000       4.133000 0.5916000       3.641000      0.6932000      0.4919000      0.9114000
  1 1 1     -13  -24   13 o    4.765000      0.4016000       4.285000 0.5740000       5.245000      0.5618000     -0.9598000      0.8032000
  1 1 1     -13  -24   14 o    5.271000      0.3682000       5.311000 0.4882000       5.231000      0.5513000      0.8017000E-01  0.7364000
  1 1 1     -13  -24   15 o    6.924000      0.3081000       6.969000 0.4036000       6.878000      0.4655000      0.9041000E-01  0.6161000
  1 1 1     -13  -24   16 o    7.385000      0.2995000       7.340000 0.4090000       7.430000      0.4377000     -0.9005000E-01  0.5991000
  1 1 1     -13  -24   17 o    8.001000      0.5130000       7.895000 0.8280000       8.106000      0.6059000     -0.2111000       1.026000
  1 1 1     -13  -24   18 o    4.933000      0.7260000       5.292000 1.108000       4.575000      0.9384000      0.7172000       1.452000
  1 1 1     -13  -24   19 o    3.413000      0.6058000       4.046000 0.7447000       2.779000      0.9556000       1.267000       1.212000
  1 1 1     -13  -24   20 o    9.287000      0.2960000       9.198000 0.4095000       9.377000      0.4276000     -0.1787000      0.5921000
  1 1 1     -13  -24   21 o    4.910000      0.5057000       5.370000 0.6080000       4.451000      0.8082000      0.9187000       1.011000
  1 1 1     -13  -24   22 o    3.933000      0.7553000       3.025000 1.013000       4.840000       1.120000      -1.815000       1.511000
  1 1 1     -13  -24   23 o    2.379000      0.7048000       2.171000 0.8849000       2.587000       1.097000     -0.4158000       1.410000
  1 1 1     -13  -24   24 o    1.886000      0.5837000       1.998000 0.8443000       1.774000      0.8060000      0.2233000       1.167000
  1 1 1     -13  -24   25 o    2.992000      0.6694000       2.482000 0.9200000       3.502000      0.9725000      -1.019000       1.339000
  1 1 1     -13  -24   26 o    2.989000      0.6880000       2.938000 0.9487000       3.041000      0.9966000     -0.1034000       1.376000
  1 1 1     -13  -24   27 o    4.273000      0.5952000       4.277000 0.8274000       4.269000      0.8559000      0.7902000E-02   1.190000
  1 1 1     -13  -24   28 o    2.110000      0.6342000       2.082000 0.8803000       2.137000      0.9132000     -0.5419000E-01   1.268000
  1 1 1     -13  -23    1 o    3.902000      0.3147000       4.043000 0.3900000       3.760000      0.4941000      0.2824000      0.6294000
  1 1 1     -13  -23    2 o    3.403000      0.3777000       3.669000 0.4627000       3.137000      0.5971000      0.5312000      0.7554000
  1 1 1     -13  -23    3 o    5.557000      0.2506000       5.847000 0.3197000       5.266000      0.3861000      0.5806000      0.5013000
  1 1 1     -13  -23    4 o    4.454000      0.2994000       4.796000 0.3841000       4.113000      0.4594000      0.6828000      0.5989000
  1 1 1     -13  -23    5 o    6.144000      0.2608000       6.416000 0.3464000       5.871000      0.3899000      0.5451000      0.5216000
  1 1 1     -13  -23    6 o    8.552000      0.2311000       8.240000 0.3341000       8.863000      0.3194000     -0.6233000      0.4622000
  1 1 1     -13  -23    7 o    5.166000      0.3042000       5.613000 0.3675000       4.720000      0.4848000      0.8934000      0.6083000
  1 1 1     -13  -23    8 o    2.718000      0.5037000       2.366000 0.7297000       3.070000      0.6945000     -0.7042000       1.007000
  1 1 1     -13  -23    9 o    1.693000      0.5006000       1.791000 0.7213000       1.595000      0.6944000      0.1961000       1.001000
  1 1 1     -13  -23   10 o    5.716000      0.2937000       5.801000 0.3858000       5.630000      0.4430000      0.1702000      0.5874000
  1 1 1     -13  -23   11 o    3.685000      0.4539000       3.855000 0.5509000       3.516000      0.7216000      0.3389000      0.9079000
  1 1 1     -13  -23   12 o    3.468000      0.4819000       3.627000 0.6152000       3.308000      0.7418000      0.3194000      0.9637000
  1 1 1     -13  -23   13 o    1.625000      0.4950000       1.764000 0.7071000       1.487000      0.6930000      0.2770000      0.9901000
  1 1 1     -13  -23   14 o    9.904000      0.2547000       9.891000 0.3524000       9.918000      0.3677000     -0.2729000E-01  0.5093000
  1 1 1     -13  -23   15 o    1.898000      0.5413000       2.100000 0.7740000       1.695000      0.7567000      0.4050000       1.083000
  1 1 1     -13  -23   16 o    3.799000      0.5161000       4.066000 0.6350000       3.531000      0.8137000      0.5350000       1.032000
  1 1 1     -13  -23   17 o    5.517000      0.3815000       5.691000 0.4695000       5.342000      0.6016000      0.3492000      0.7631000
  1 1 1     -13  -23   18 o    3.326000      0.5791000       3.119000 0.7938000       3.532000      0.8435000     -0.4138000       1.158000
  1 1 1     -13  -23   19 o    3.844000      0.7458000       3.175000 1.203000       4.514000      0.8816000      -1.339000       1.492000
  1 1 1     -13  -23   20 o    3.500000      0.8103000       3.295000 1.264000       3.705000       1.015000     -0.4102000       1.621000
  1 1 1     -13  -23   21 o    2.179000      0.6145000       1.879000 0.8093000       2.479000      0.9250000     -0.5999000       1.229000
  1 1 1     -13  -23   22 o    6.922000      0.3711000       7.152000 0.4954000       6.692000      0.5527000      0.4596000      0.7422000
  1 1 1     -13  -23   23 o    3.601000      0.7448000       3.345000 0.8835000       3.857000       1.199000     -0.5125000       1.490000
  1 1 1     -13  -23   24 o    3.568000      0.7838000       2.998000 1.001000       4.138000       1.206000      -1.140000       1.568000
  1 1 1     -13  -23   25 o    2.073000      0.5983000       2.422000 0.8846000       1.725000      0.8059000      0.6973000       1.197000
  1 1 1     -13  -23   26 o    3.237000      0.6390000       3.695000 0.8169000       2.778000      0.9827000      0.9165000       1.278000
  1 1 1     -13  -23   27 o    3.226000      0.6238000       3.897000 0.7905000       2.554000      0.9652000       1.343000       1.248000
  1 1 1     -13  -23   28 o    2.044000      0.6079000       2.230000 0.8836000       1.858000      0.8352000      0.3717000       1.216000
  1 1 1     -13  -23   29 o    3.188000      0.6209000       2.316000 0.8921000       4.060000      0.8637000      -1.744000       1.242000
  1 1 1     -13  -22    1 o    3.973000      0.2830000       3.978000 0.4003000       3.967000      0.4002000      0.1071000E-01  0.5660000
  1 1 1     -13  -22    2 o    3.594000      0.3157000       3.703000 0.4291000       3.485000      0.4631000      0.2184000      0.6314000
  1 1 1     -13  -22    3 o    7.212000      0.2200000       7.379000 0.2955000       7.045000      0.3258000      0.3336000      0.4399000
  1 1 1     -13  -22    4 f    6.098000      0.2372000       6.121000 0.3208000       6.076000      0.3495000      0.4485000E-01  0.4744000
  1 1 1     -13  -22    5 o    6.756000      0.2408000       6.621000 0.3422000       6.892000      0.3389000     -0.2717000      0.4816000
  1 1 1     -13  -22    6 o    9.492000      0.2236000       9.363000 0.3148000       9.621000      0.3176000     -0.2579000      0.4472000
  1 1 1     -13  -22    7 o    7.142000      0.2436000       7.151000 0.3432000       7.134000      0.3457000      0.1635000E-01  0.4872000
  1 1 1     -13  -22    8 o    3.996000      0.4097000       4.577000 0.4407000       3.415000      0.6907000       1.161000      0.8193000
  1 1 1     -13  -22    9 o    5.488000      0.3108000       5.468000 0.4424000       5.509000      0.4368000     -0.4075000E-01  0.6217000
  1 1 1     -13  -22   10 o    1.892000      0.5171000       1.888000 0.7144000       1.897000      0.7477000     -0.9075000E-02   1.034000
  1 1 1     -13  -22   11 o    4.264000      0.5010000       4.563000 0.4705000       3.965000      0.8846000      0.5975000       1.002000
  1 1 1     -13  -22   12 o    2.519000      0.5100000       1.740000 0.6987000       3.298000      0.7432000      -1.558000       1.020000
  1 1 1     -13  -22   13 o    1.892000      0.5231000       2.111000 0.7444000       1.673000      0.7352000      0.4370000       1.046000
  1 1 1     -13  -22   14 o    4.026000      0.4633000       5.182000 0.4659000       2.870000      0.8010000       2.312000      0.9266000
  1 1 1     -13  -22   15 o    10.80000      0.2593000       11.28000 0.3632000       10.33000      0.3701000      0.9430000      0.5185000
  1 1 1     -13  -22   16 o    2.222000      0.5747000       2.009000 0.7743000       2.436000      0.8496000     -0.4274000       1.149000
  1 1 1     -13  -22   17 o    3.491000      0.5318000       3.763000 0.6513000       3.218000      0.8409000      0.5452000       1.064000
  1 1 1     -13  -22   18 o    2.925000      0.5686000       3.710000 0.7318000       2.140000      0.8705000       1.569000       1.137000
  1 1 1     -13  -22   19 o    5.775000      0.3792000       5.836000 0.5340000       5.715000      0.5387000      0.1209000      0.7585000
  1 1 1     -13  -22   20 o    1.909000      0.8293000       1.909000 0.8293000                  ?              ?              ?              ?
  1 1 1     -13  -22   21 o    7.243000      0.5228000       7.551000 0.8336000       6.936000      0.6312000      0.6153000       1.046000
  1 1 1     -13  -22   22 o    2.689000       1.032000                  ?       ?   2.689000       1.032000                  ?              ?
  1 1 1     -13  -22   23 o    6.259000      0.3874000       6.183000 0.5259000       6.335000      0.5690000     -0.1525000      0.7748000
  1 1 1     -13  -22   24 o    2.388000      0.6117000       2.939000 0.8982000       1.837000      0.8305000       1.102000       1.223000
  1 1 1     -13  -22   25 o    2.664000      0.7016000       3.185000 0.9913000       2.143000      0.9932000       1.042000       1.403000
  1 1 1     -13  -22   26 o    2.888000      0.7776000       2.390000 0.9645000       3.386000       1.220000     -0.9958000       1.555000
  1 1 1     -13  -22   27 o    2.916000      0.6559000       3.516000 0.9076000       2.316000      0.9471000       1.200000       1.312000
  1 1 1     -13  -22   28 o    3.439000      0.6278000       2.625000 0.9413000       4.254000      0.8310000      -1.628000       1.256000
  1 1 1     -13  -22   29 o    2.472000      0.6712000       2.696000 0.9669000       2.247000      0.9313000      0.4488000       1.342000
  1 1 1     -13  -22   30 o    2.809000      0.6816000       3.014000 0.9596000       2.604000      0.9682000      0.4097000       1.363000
  1 1 1     -13  -21    1 o    10.02000      0.2261000       9.915000 0.3513000       10.13000      0.2848000     -0.2160000      0.4522000
  1 1 1     -13  -21    2 o    9.309000      0.2072000       9.202000 0.2915000       9.417000      0.2947000     -0.2151000      0.4145000
  1 1 1     -13  -21    3 o    3.180000      0.3754000       2.961000 0.5327000       3.399000      0.5291000     -0.4380000      0.7508000
  1 1 1     -13  -21    4 o    9.735000      0.2120000       9.438000 0.3003000       10.03000      0.2992000     -0.5948000      0.4239000
  1 1 1     -13  -21    5 o    6.711000      0.2360000       6.947000 0.3182000       6.474000      0.3487000      0.4726000      0.4721000
  1 1 1     -13  -21    6 o    2.065000      0.4921000       2.094000 0.6800000       2.035000      0.7115000      0.5907000E-01  0.9842000
  1 1 1     -13  -21    7 o    4.512000      0.3024000       4.298000 0.4250000       4.727000      0.4302000     -0.4292000      0.6047000
  1 1 1     -13  -21    8 o    8.723000      0.2379000       8.760000 0.3256000       8.687000      0.3469000      0.7256000E-01  0.4757000
  1 1 1     -13  -21    9 o    6.408000      0.2777000       6.533000 0.3852000       6.284000      0.4003000      0.2498000      0.5555000
  1 1 1     -13  -21   10 o    4.350000      0.3630000       4.743000 0.4437000       3.956000      0.5746000      0.7871000      0.7260000
  1 1 1     -13  -21   11 o    8.427000      0.2486000       8.397000 0.3379000       8.456000      0.3649000     -0.5881000E-01  0.4973000
  1 1 1     -13  -21   12 o    5.892000      0.3214000       6.298000 0.3982000       5.486000      0.5045000      0.8120000      0.6427000
  1 1 1     -13  -21   13 o    8.242000      0.2553000       8.053000 0.3563000       8.431000      0.3656000     -0.3782000      0.5105000
  1 1 1     -13  -21   14 o    2.251000      0.5519000       1.835000 0.7308000       2.667000      0.8273000     -0.8329000       1.104000
  1 1 1     -13  -21   15 o    7.183000      0.2812000       7.388000 0.3806000       6.978000      0.4139000      0.4093000      0.5623000
  1 1 1     -13  -21   16 o    2.674000      0.6034000       2.915000 0.8328000       2.434000      0.8735000      0.4817000       1.207000
  1 1 1     -13  -21   17 o    1.975000      0.5565000       2.087000 0.7876000       1.863000      0.7863000      0.2237000       1.113000
  1 1 1     -13  -21   18 o    4.058000      0.5146000       4.471000 0.6175000       3.645000      0.8233000      0.8258000       1.029000
  1 1 1     -13  -21   19 o    6.747000      0.3459000       6.974000 0.4723000       6.520000      0.5056000      0.4545000      0.6919000
  1 1 1     -13  -21   20 o    6.234000      0.5062000       6.234000 0.5062000                  ?              ?              ?              ?
  1 1 1     -13  -21   21 o    8.865000      0.2939000       9.229000 0.4080000       8.501000      0.4233000      0.7289000      0.5879000
  1 1 1     -13  -21   22 o    8.334000      0.4346000                  ?       ?   8.334000      0.4346000                  ?              ?
  1 1 1     -13  -21   23 o    4.396000      0.7977000       3.786000 1.297000       5.007000      0.9296000      -1.221000       1.595000
  1 1 1     -13  -21   24 o    3.634000      0.6433000       3.281000 0.9265000       3.987000      0.8928000     -0.7055000       1.287000
  1 1 1     -13  -21   25 o    3.646000      0.6275000       3.571000 0.8602000       3.721000      0.9138000     -0.1506000       1.255000
  1 1 1     -13  -21   26 o    2.256000      0.6932000       2.346000 0.9516000       2.166000       1.008000      0.1800000       1.386000
  1 1 1     -13  -21   27 o    2.422000      0.7393000       2.011000 0.9002000       2.832000       1.173000     -0.8209000       1.479000
  1 1 1     -13  -21   28 o    1.787000      0.5782000       1.664000 0.7769000       1.909000      0.8566000     -0.2454000       1.156000
  1 1 1     -13  -21   29 o    5.033000      0.5402000       5.952000 0.6143000       4.113000      0.8888000       1.839000       1.080000
  1 1 1     -13  -21   30 o    3.743000      0.6488000       4.038000 0.8661000       3.448000      0.9664000      0.5902000       1.298000
  1 1 1     -13  -21   31 o    1.945000      0.5934000       2.336000 0.9253000       1.554000      0.7432000      0.7819000       1.187000
  1 1 1     -13  -20    1 o    5.159000      0.2293000       4.987000 0.3287000       5.332000      0.3198000     -0.3454000      0.4586000
  1 1 1     -13  -20    2 o    3.297000      0.4323000       3.072000 0.5402000       3.521000      0.6751000     -0.4495000      0.8647000
  1 1 1     -13  -20    3 o    6.529000      0.2833000       6.465000 0.3578000       6.593000      0.4393000     -0.1275000      0.5665000
  1 1 1     -13  -20    4 o    3.492000      0.4496000       3.954000 0.4625000       3.030000      0.7711000      0.9240000      0.8992000
  1 1 1     -13  -20    5 o    2.679000      0.4692000       2.953000 0.5946000       2.406000      0.7259000      0.5467000      0.9384000
  1 1 1     -13  -20    6 o    4.581000      0.3980000       3.619000 0.5061000       5.543000      0.6143000      -1.924000      0.7960000
  1 1 1     -13  -20    7 o    5.505000      0.2654000       5.489000 0.3703000       5.521000      0.3804000     -0.3194000E-01  0.5308000
  1 1 1     -13  -20    8 o    9.253000      0.2278000       9.103000 0.3234000       9.402000      0.3210000     -0.2988000      0.4557000
  1 1 1     -13  -20    9 o    3.353000      0.4082000       3.026000 0.5986000       3.680000      0.5551000     -0.6543000      0.8164000
  1 1 1     -13  -20   10 o    4.920000      0.3257000       4.631000 0.4293000       5.210000      0.4898000     -0.5792000      0.6513000
  1 1 1     -13  -20   11 o    1.491000      0.4779000       1.305000 0.6098000       1.677000      0.7360000     -0.3728000      0.9558000
  1 1 1     -13  -20   12 f    11.34000      0.2442000       11.03000 0.3397000       11.65000      0.3510000     -0.6112000      0.4885000
  1 1 1     -13  -20   13 o    5.208000      0.3684000       5.462000 0.4713000       4.954000      0.5663000      0.5072000      0.7368000
  1 1 1     -13  -20   14 o    7.251000      0.2798000       7.448000 0.3783000       7.054000      0.4123000      0.3934000      0.5595000
  1 1 1     -13  -20   15 o    5.252000      0.3608000       5.737000 0.4484000       4.767000      0.5654000      0.9708000      0.7216000
  1 1 1     -13  -20   16 o    5.129000      0.3688000       5.206000 0.5063000       5.052000      0.5364000      0.1534000      0.7376000
  1 1 1     -13  -20   17 o    7.779000      0.3030000       8.114000 0.4124000       7.443000      0.4439000      0.6712000      0.6059000
  1 1 1     -13  -20   18 o    5.589000      0.3576000       5.225000 0.5172000       5.953000      0.4940000     -0.7285000      0.7152000
  1 1 1     -13  -20   19 o    6.499000      0.3266000       6.601000 0.4463000       6.397000      0.4768000      0.2035000      0.6531000
  1 1 1     -13  -20   20 o    13.28000      0.3634000       13.91000 0.6138000       12.66000      0.3893000       1.249000      0.7268000
  1 1 1     -13  -20   21 o    6.592000      0.3605000       7.212000 0.4742000       5.973000      0.5430000       1.239000      0.7209000
  1 1 1     -13  -20   22 o    6.014000      0.3852000       6.232000 0.5031000       5.796000      0.5833000      0.4357000      0.7703000
  1 1 1     -13  -20   23 o    4.175000      0.5496000       4.530000 0.6908000       3.819000      0.8549000      0.7106000       1.099000
  1 1 1     -13  -20   24 o    8.461000      0.4651000       8.172000 0.7316000       8.750000      0.5746000     -0.5788000      0.9302000
  1 1 1     -13  -20   25 o    3.289000      0.6465000       3.844000 0.7577000       2.733000       1.048000       1.111000       1.293000
  1 1 1     -13  -20   26 o    4.399000      0.5581000       4.250000 0.7492000       4.547000      0.8274000     -0.2971000       1.116000
  1 1 1     -13  -20   27 o    2.321000      0.7090000       1.534000 0.7234000       3.109000       1.220000      -1.575000       1.418000
  1 1 1     -13  -20   28 o    4.003000      0.8144000       3.860000 1.070000       4.145000       1.228000     -0.2850000       1.629000
  1 1 1     -13  -20   29 o    3.769000      0.6314000       4.228000 0.8156000       3.311000      0.9642000      0.9172000       1.263000
  1 1 1     -13  -20   30 o    4.007000      0.5785000       4.821000 0.6467000       3.194000      0.9594000       1.627000       1.157000
  1 1 1     -13  -20   31 o    1.821000      0.5801000       1.741000 0.7961000       1.901000      0.8438000     -0.1601000       1.160000
  1 1 1     -13  -19    1 o    10.26000      0.2987000       10.30000 0.4468000       10.21000      0.3964000      0.8081000E-01  0.5973000
  1 1 1     -13  -19    2 o    7.755000      0.1990000       7.926000 0.2801000       7.585000      0.2828000      0.3416000      0.3980000
  1 1 1     -13  -19    3 o    7.323000      0.2043000       7.272000 0.2833000       7.374000      0.2946000     -0.1017000      0.4087000
  1 1 1     -13  -19    4 o    8.735000      0.2034000       8.759000 0.2834000       8.712000      0.2919000      0.4752000E-01  0.4069000
  1 1 1     -13  -19    5 o    5.848000      0.3085000       5.644000 0.3824000       6.052000      0.4843000     -0.4080000      0.6171000
  1 1 1     -13  -19    6 o    6.339000      0.2999000       6.298000 0.3745000       6.380000      0.4685000     -0.8210000E-01  0.5998000
  1 1 1     -13  -19    8 o    4.340000      0.3263000       4.601000 0.4236000       4.079000      0.4963000      0.5223000      0.6525000
  1 1 1     -13  -19    9 o    2.181000      0.5237000       2.021000 0.7281000       2.341000      0.7530000     -0.3200000       1.047000
  1 1 1     -13  -19   10 o    3.029000      0.4836000       2.948000 0.6917000       3.110000      0.6760000     -0.1615000      0.9672000
  1 1 1     -13  -19   11 o    6.012000      0.2679000       5.809000 0.3780000       6.214000      0.3798000     -0.4051000      0.5358000
  1 1 1     -13  -19   12 o    10.05000      0.2368000       10.11000 0.3342000       9.983000      0.3357000      0.1314000      0.4737000
  1 1 1     -13  -19   13 o    7.383000      0.2692000       7.686000 0.3657000       7.080000      0.3951000      0.6054000      0.5384000
  1 1 1     -13  -19   14 f    3.051000      0.5096000       2.188000 0.7861000       3.913000      0.6487000      -1.725000       1.019000
  1 1 1     -13  -19   15 o    2.943000      0.5580000       3.507000 0.7190000       2.378000      0.8536000       1.129000       1.116000
  1 1 1     -13  -19   16 o    4.431000      0.4175000       4.421000 0.5507000       4.440000      0.6278000     -0.1838000E-01  0.8351000
  1 1 1     -13  -19   17 f    12.68000      0.2657000       12.99000 0.3773000       12.37000      0.3741000      0.6157000      0.5314000
  1 1 1     -13  -19   18 o    4.974000      0.4280000       5.212000 0.5477000       4.735000      0.6579000      0.4766000      0.8561000
  1 1 1     -13  -19   19 o    2.960000      0.5882000       3.030000 0.8172000       2.889000      0.8462000      0.1404000       1.176000
  1 1 1     -13  -19   20 o    8.833000      0.2790000       8.722000 0.3981000       8.945000      0.3911000     -0.2225000      0.5581000
  1 1 1     -13  -19   21 o    11.35000      0.2822000       11.55000 0.3980000       11.16000      0.4002000      0.3859000      0.5645000
  1 1 1     -13  -19   22 o    3.395000      0.6317000       2.861000 0.9368000       3.928000      0.8477000      -1.067000       1.263000
  1 1 1     -13  -19   23 o    5.751000      0.4213000       5.622000 0.5846000       5.880000      0.6068000     -0.2584000      0.8426000
  1 1 1     -13  -19   24 o    7.820000      0.3368000       7.974000 0.4669000       7.667000      0.4856000      0.3069000      0.6736000
  1 1 1     -13  -19   25 o    3.752000      0.7853000       3.974000 1.133000       3.530000       1.088000      0.4438000       1.571000
  1 1 1     -13  -19   26 o    5.867000      0.6745000       5.239000 1.107000       6.496000      0.7702000      -1.257000       1.349000
  1 1 1     -13  -19   27 f    4.865000      0.5468000       5.235000 0.6496000       4.496000      0.8798000      0.7385000       1.094000
  1 1 1     -13  -19   28 o    2.602000      0.6709000       2.739000 0.9817000       2.464000      0.9148000      0.2753000       1.342000
  1 1 1     -13  -19   29 o    7.313000      0.5162000       7.410000 0.6700000       7.215000      0.7854000      0.1954000       1.032000
  1 1 1     -13  -19   30 o    4.668000      0.5354000       4.828000 0.7207000       4.509000      0.7920000      0.3183000       1.071000
  1 1 1     -13  -19   31 o    1.684000      0.5540000       1.724000 0.7924000       1.645000      0.7746000      0.7874000E-01   1.108000
  1 1 1     -13  -19   32 o    2.809000      0.6668000       3.121000 0.9462000       2.497000      0.9398000      0.6239000       1.334000
  1 1 1     -13  -18    1 o    9.771000      0.1963000       9.664000 0.2781000       9.877000      0.2772000     -0.2130000      0.3926000
  1 1 1     -13  -18    2 o    2.676000      0.5723000       2.626000 0.8606000       2.726000      0.7546000     -0.9998000E-01   1.145000
  1 1 1     -13  -18    3 o    5.005000      0.3729000       5.449000 0.5530000       4.561000      0.5004000      0.8886000      0.7457000
  1 1 1     -13  -18    4 o    8.313000      0.3119000       8.387000 0.4736000       8.239000      0.4059000      0.1480000      0.6238000
  1 1 1     -13  -18    5 o    2.060000      0.4704000       2.168000 0.6686000       1.951000      0.6618000      0.2172000      0.9408000
  1 1 1     -13  -18    6 o    10.55000      0.2150000       10.55000 0.2981000       10.55000      0.3099000     -0.4471000E-02  0.4300000
  1 1 1     -13  -18    7 o    10.63000      0.2206000       10.70000 0.3115000       10.57000      0.3125000      0.1252000      0.4412000
  1 1 1     -13  -18    8 o    7.711000      0.3024000       7.675000 0.4031000       7.748000      0.4509000     -0.7257000E-01  0.6048000
  1 1 1     -13  -18    9 o    3.714000      0.4760000       3.405000 0.6201000       4.023000      0.7223000     -0.6176000      0.9520000
  1 1 1     -13  -18   10 o    7.008000      0.2665000       6.837000 0.3738000       7.179000      0.3800000     -0.3415000      0.5330000
  1 1 1     -13  -18   11 o    4.829000      0.3345000       5.274000 0.4356000       4.383000      0.5078000      0.8908000      0.6690000
  1 1 1     -13  -18   12 o    3.402000      0.4647000       3.241000 0.6582000       3.563000      0.6563000     -0.3224000      0.9295000
  1 1 1     -13  -18   13 o    4.254000      0.3992000       4.286000 0.5479000       4.222000      0.5807000      0.6321000E-01  0.7984000
  1 1 1     -13  -18   14 o    2.191000      0.5477000       2.502000 0.7729000       1.879000      0.7762000      0.6227000       1.095000
  1 1 1     -13  -18   15 o    5.855000      0.3347000       6.000000 0.4386000       5.709000      0.5058000      0.2911000      0.6695000
  1 1 1     -13  -18   16 o    2.565000      0.5615000       2.308000 0.7914000       2.822000      0.7967000     -0.5135000       1.123000
  1 1 1     -13  -18   17 o    4.246000      0.4718000       4.659000 0.5726000       3.834000      0.7499000      0.8257000      0.9435000
  1 1 1     -13  -18   18 o    5.042000      0.3778000       4.884000 0.5205000       5.199000      0.5477000     -0.3148000      0.7555000
  1 1 1     -13  -18   19 o    5.438000      0.3727000       5.285000 0.5198000       5.591000      0.5342000     -0.3062000      0.7453000
  1 1 1     -13  -18   20 o    9.465000      0.2742000       9.755000 0.3842000       9.175000      0.3912000      0.5805000      0.5483000
  1 1 1     -13  -18   21 o    5.529000      0.4615000       6.716000 0.4822000       4.341000      0.7870000       2.375000      0.9229000
  1 1 1     -13  -18   22 o    2.701000      0.5860000       2.055000 0.8275000       3.347000      0.8300000      -1.291000       1.172000
  1 1 1     -13  -18   23 o    4.346000      0.4937000       4.301000 0.6745000       4.391000      0.7212000     -0.9002000E-01  0.9875000
  1 1 1     -13  -18   24 o    1.801000      0.5638000       1.575000 0.7329000       2.028000      0.8570000     -0.4532000       1.128000
  1 1 1     -13  -18   25 o    9.765000      0.3081000       9.688000 0.4299000       9.843000      0.4414000     -0.1554000      0.6162000
  1 1 1     -13  -18   26 o    4.388000      0.8081000       4.918000 1.190000       3.857000       1.093000       1.061000       1.616000
  1 1 1     -13  -18   27 o    3.291000      0.8527000       3.746000 1.288000       2.836000       1.118000      0.9102000       1.705000
  1 1 1     -13  -18   28 f    6.804000      0.4125000       7.084000 0.5415000       6.525000      0.6225000      0.5598000      0.8250000
  1 1 1     -13  -18   29 o    6.359000      0.6434000       7.228000 0.6820000       5.491000       1.091000       1.737000       1.287000
  1 1 1     -13  -18   30 o    2.264000      0.6863000       2.476000 0.9869000       2.053000      0.9539000      0.4231000       1.373000
  1 1 1     -13  -18   31 o    5.694000      0.4590000       5.548000 0.6702000       5.839000      0.6274000     -0.2905000      0.9180000
  1 1 1     -13  -18   32 o    5.319000      0.4869000       5.486000 0.6572000       5.151000      0.7185000      0.3353000      0.9738000
  1 1 1     -13  -17    1 o    8.489000      0.1933000       8.472000 0.2733000       8.506000      0.2734000     -0.3385000E-01  0.3865000
  1 1 1     -13  -17    2 o    12.37000      0.2145000       12.51000 0.3032000       12.23000      0.3034000      0.2756000      0.4290000
  1 1 1     -13  -17    3 o    10.19000      0.2062000       10.00000 0.2902000       10.38000      0.2930000     -0.3741000      0.4124000
  1 1 1     -13  -17    4 o    7.401000      0.2879000       7.741000 0.4926000       7.061000      0.2981000      0.6793000      0.5757000
  1 1 1     -13  -17    5 o    1.751000      0.5265000       1.458000 0.6961000       2.044000      0.7902000     -0.5866000       1.053000
  1 1 1     -13  -17    6 o    8.983000      0.3268000       8.935000 0.4945000       9.031000      0.4274000     -0.9639000E-01  0.6536000
  1 1 1     -13  -17    7 o    10.89000      0.2229000       11.22000 0.3129000       10.57000      0.3174000      0.6507000      0.4457000
  1 1 1     -13  -17    8 o    3.794000      0.3601000       3.973000 0.4903000       3.615000      0.5276000      0.3588000      0.7203000
  1 1 1     -13  -17    9 o    2.182000      0.4821000       2.468000 0.6583000       1.896000      0.7044000      0.5717000      0.9641000
  1 1 1     -13  -17   10 o    3.460000      0.5377000       3.559000 0.6234000       3.360000      0.8762000      0.1987000       1.075000
  1 1 1     -13  -17   11 o    4.731000      0.4336000       4.476000 0.5650000       4.987000      0.6578000     -0.5112000      0.8672000
  1 1 1     -13  -17   12 o    3.538000      0.4736000       4.359000 0.5219000       2.717000      0.7905000       1.642000      0.9472000
  1 1 1     -13  -17   13 o    3.178000      0.5000000       2.724000 0.7560000       3.632000      0.6547000     -0.9075000       1.000000
  1 1 1     -13  -17   14 o    5.285000      0.3444000       5.642000 0.4476000       4.928000      0.5235000      0.7137000      0.6888000
  1 1 1     -13  -17   15 o    3.332000      0.4724000       2.428000 0.7627000       4.236000      0.5577000      -1.808000      0.9449000
  1 1 1     -13  -17   16 o    12.99000      0.2618000       12.94000 0.3675000       13.04000      0.3729000     -0.1026000      0.5235000
  1 1 1     -13  -17   17 o    8.789000      0.2795000       8.694000 0.3924000       8.884000      0.3981000     -0.1892000      0.5590000
  1 1 1     -13  -17   18 o    1.758000      0.5294000       1.926000 0.7774000       1.591000      0.7188000      0.3351000       1.059000
  1 1 1     -13  -17   19 o    6.574000      0.3005000       6.373000 0.4314000       6.775000      0.4184000     -0.4025000      0.6009000
  1 1 1     -13  -17   20 o    11.01000      0.2729000       10.76000 0.3889000       11.26000      0.3829000     -0.5004000      0.5458000
  1 1 1     -13  -17   21 f    5.193000      0.5738000       5.193000 0.5738000                  ?              ?              ?              ?
  1 1 1     -13  -17   22 o    5.414000      0.4104000       5.041000 0.6130000       5.787000      0.5459000     -0.7466000      0.8208000
  1 1 1     -13  -17   23 o    14.25000      0.4091000                  ?       ?   14.25000      0.4091000                  ?              ?
  1 1 1     -13  -17   24 o    7.375000      0.3522000       6.987000 0.5150000       7.763000      0.4805000     -0.7765000      0.7043000
  1 1 1     -13  -17   25 o    8.416000      0.3326000       8.317000 0.4766000       8.514000      0.4640000     -0.1973000      0.6652000
  1 1 1     -13  -17   26 o    5.175000      0.4823000       5.236000 0.6727000       5.113000      0.6912000      0.1230000      0.9645000
  1 1 1     -13  -17   27 o    5.774000      0.6885000       5.454000 1.114000       6.095000      0.8095000     -0.6406000       1.377000
  1 1 1     -13  -17   28 o    4.644000      0.5729000       5.754000 0.6357000       3.534000      0.9533000       2.220000       1.146000
  1 1 1     -13  -17   29 f    2.231000      0.6536000       2.231000 0.9124000       2.231000      0.9361000     -0.6108000E-03   1.307000
  1 1 1     -13  -17   30 o    2.454000      0.7428000       1.935000 0.8879000       2.972000       1.191000      -1.037000       1.486000
  1 1 1     -13  -17   31 o    7.512000      0.5014000       7.794000 0.6704000       7.230000      0.7458000      0.5642000       1.003000
  1 1 1     -13  -17   32 o    1.832000      0.5802000       2.064000 0.8776000       1.599000      0.7591000      0.4648000       1.160000
  1 1 1     -13  -17   33 o    2.434000      0.6553000       2.288000 0.9070000       2.580000      0.9460000     -0.2919000       1.311000
  1 1 1     -13  -16    1 o    9.872000      0.1935000       9.662000 0.2726000       10.08000      0.2745000     -0.4206000      0.3869000
  1 1 1     -13  -16    2 o    10.44000      0.2022000       10.57000 0.2872000       10.32000      0.2848000      0.2511000      0.4044000
  1 1 1     -13  -16    3 o    3.673000      0.3143000       3.457000 0.4638000       3.890000      0.4244000     -0.4334000      0.6286000
  1 1 1     -13  -16    4 o    7.070000      0.2080000       6.896000 0.2905000       7.243000      0.2978000     -0.3463000      0.4161000
  1 1 1     -13  -16    5 o    7.131000      0.2119000       6.985000 0.2999000       7.278000      0.2995000     -0.2938000      0.4239000
  1 1 1     -13  -16    6 o    6.645000      0.2205000       6.706000 0.3059000       6.584000      0.3176000      0.1216000      0.4410000
  1 1 1     -13  -16    7 f    6.977000      0.3329000       7.127000 0.4995000       6.828000      0.4401000      0.2991000      0.6658000
  1 1 1     -13  -16    8 o    2.509000      0.5897000       2.395000 0.8813000       2.623000      0.7838000     -0.2289000       1.179000
  1 1 1     -13  -16    9 o    9.447000      0.2223000       9.332000 0.3154000       9.563000      0.3133000     -0.2310000      0.4445000
  1 1 1     -13  -16   10 o    4.992000      0.2959000       5.004000 0.4180000       4.981000      0.4191000      0.2384000E-01  0.5919000
  1 1 1     -13  -16   11 o    3.919000      0.4718000       3.381000 0.6745000       4.457000      0.6598000      -1.076000      0.9436000
  1 1 1     -13  -16   12 o    1.921000      0.5549000       1.836000 0.7361000       2.006000      0.8306000     -0.1704000       1.110000
  1 1 1     -13  -16   13 o    2.141000      0.5090000       2.817000 0.7664000       1.464000      0.6699000       1.353000       1.018000
  1 1 1     -13  -16   14 o    8.534000      0.2538000       8.433000 0.3529000       8.636000      0.3649000     -0.2030000      0.5076000
  1 1 1     -13  -16   15 o    8.240000      0.2633000       8.038000 0.3739000       8.442000      0.3708000     -0.4039000      0.5266000
  1 1 1     -13  -16   16 o    10.31000      0.2518000       10.09000 0.3546000       10.53000      0.3576000     -0.4339000      0.5036000
  1 1 1     -13  -16   17 o    3.923000      0.4783000       3.768000 0.6760000       4.078000      0.6768000     -0.3093000      0.9566000
  1 1 1     -13  -16   18 o    12.20000      0.2599000       12.42000 0.3704000       11.97000      0.3647000      0.4442000      0.5198000
  1 1 1     -13  -16   19 o    9.008000      0.2683000       9.172000 0.3749000       8.843000      0.3839000      0.3294000      0.5365000
  1 1 1     -13  -16   20 o    12.92000      0.2712000       12.55000 0.3846000       13.30000      0.3824000     -0.7497000      0.5424000
  1 1 1     -13  -16   21 o    7.138000      0.3111000       7.989000 0.4285000       6.288000      0.4511000       1.701000      0.6222000
  1 1 1     -13  -16   22 o    3.721000      0.5546000       4.103000 0.7166000       3.338000      0.8467000      0.7646000       1.109000
  1 1 1     -13  -16   23 o    16.71000      0.4198000                  ?       ?   16.71000      0.4198000                  ?              ?
  1 1 1     -13  -16   24 o    7.293000      0.3404000       7.651000 0.4688000       6.934000      0.4938000      0.7170000      0.6809000
  1 1 1     -13  -16   25 o    5.975000      0.3941000       5.976000 0.5464000       5.974000      0.5681000      0.2443000E-02  0.7882000
  1 1 1     -13  -16   26 o    2.167000      0.6107000       1.692000 0.7825000       2.643000      0.9379000     -0.9502000       1.221000
  1 1 1     -13  -16   27 o    3.477000      0.6763000       3.558000 0.9579000       3.396000      0.9551000      0.1617000       1.353000
  1 1 1     -13  -16   28 o    2.941000      0.7940000       2.950000 1.157000       2.931000       1.087000      0.1810000E-01   1.588000
  1 1 1     -13  -16   29 o    2.817000      0.6870000       2.949000 0.9676000       2.684000      0.9754000      0.2649000       1.374000
  1 1 1     -13  -16   30 o    3.016000      0.6993000       3.285000 0.9804000       2.748000      0.9975000      0.5373000       1.399000
  1 1 1     -13  -16   31 o    5.062000      0.6956000       5.474000 0.8877000       4.650000       1.071000      0.8240000       1.391000
  1 1 1     -13  -16   32 o    2.120000      0.6180000       2.579000 0.9545000       1.662000      0.7852000      0.9166000       1.236000
  1 1 1     -13  -16   33 o    2.049000      0.6204000       2.131000 0.8996000       1.967000      0.8546000      0.1645000       1.241000
  1 1 1     -13  -15    1 o    5.429000      0.2161000       5.926000 0.2858000       4.931000      0.3241000      0.9947000      0.4321000
  1 1 1     -13  -15    2 o    11.26000      0.2049000       11.48000 0.2909000       11.04000      0.2886000      0.4377000      0.4098000
  1 1 1     -13  -15    3 o    4.199000      0.2760000       4.518000 0.3591000       3.880000      0.4191000      0.6383000      0.5519000
  1 1 1     -13  -15    4 o    9.410000      0.2016000       9.317000 0.2851000       9.504000      0.2851000     -0.1876000      0.4032000
  1 1 1     -13  -15    5 o    7.904000      0.2106000       7.477000 0.3070000       8.331000      0.2883000     -0.8547000      0.4211000
  1 1 1     -13  -15    6 o    7.320000      0.2200000       7.183000 0.3064000       7.457000      0.3157000     -0.2740000      0.4400000
  1 1 1     -13  -15    7 o    5.100000      0.2703000       5.165000 0.3832000       5.036000      0.3814000      0.1285000      0.5406000
  1 1 1     -13  -15    8 o    5.174000      0.4205000       4.920000 0.6843000       5.429000      0.4888000     -0.5090000      0.8409000
  1 1 1     -13  -15    9 o    3.488000      0.5442000       3.414000 0.8345000       3.562000      0.6988000     -0.1483000       1.088000
  1 1 1     -13  -15   10 o    2.023000      0.4897000       1.670000 0.6781000       2.376000      0.7067000     -0.7058000      0.9795000
  1 1 1     -13  -15   11 o    7.720000      0.2432000       7.646000 0.3436000       7.794000      0.3444000     -0.1481000      0.4865000
  1 1 1     -13  -15   12 o    5.145000      0.3092000       5.316000 0.4221000       4.974000      0.4519000      0.3419000      0.6184000
  1 1 1     -13  -15   13 o    4.843000      0.4715000       5.347000 0.5407000       4.338000      0.7726000       1.008000      0.9430000
  1 1 1     -13  -15   14 o    4.618000      0.3576000       4.476000 0.5033000       4.761000      0.5082000     -0.2852000      0.7152000
  1 1 1     -13  -15   15 o    6.060000      0.3011000       6.161000 0.4190000       5.959000      0.4326000      0.2028000      0.6022000
  1 1 1     -13  -15   16 o    8.209000      0.2713000       8.259000 0.3838000       8.160000      0.3835000      0.9810000E-01  0.5425000
  1 1 1     -13  -15   17 o    6.395000      0.3114000       6.731000 0.4197000       6.058000      0.4602000      0.6730000      0.6228000
  1 1 1     -13  -15   18 o    8.228000      0.2782000       7.783000 0.3957000       8.674000      0.3912000     -0.8908000      0.5564000
  1 1 1     -13  -15   19 o    4.552000      0.3837000       4.246000 0.5625000       4.858000      0.5221000     -0.6125000      0.7675000
  1 1 1     -13  -15   20 o    9.671000      0.2672000       9.879000 0.3823000       9.462000      0.3734000      0.4162000      0.5344000
  1 1 1     -13  -15   21 o    8.414000      0.2810000       8.730000 0.4025000       8.098000      0.3922000      0.6322000      0.5619000
  1 1 1     -13  -15   22 o    2.531000      0.5418000       3.409000 0.7998000       1.653000      0.7311000       1.756000       1.084000
  1 1 1     -13  -15   23 o    10.95000      0.2724000       10.74000 0.3797000       11.15000      0.3908000     -0.4168000      0.5449000
  1 1 1     -13  -15   24 o    7.594000      0.3151000       7.191000 0.4566000       7.997000      0.4342000     -0.8063000      0.6301000
  1 1 1     -13  -15   25 o    1.848000      0.5665000       2.135000 0.8701000       1.562000      0.7258000      0.5738000       1.133000
  1 1 1     -13  -15   26 o    5.059000      0.4791000       4.888000 0.6884000       5.230000      0.6664000     -0.3417000      0.9581000
  1 1 1     -13  -15   27 o    2.523000      0.6406000       2.163000 0.8808000       2.883000      0.9303000     -0.7203000       1.281000
  1 1 1     -13  -15   28 o    6.400000      0.6200000       6.253000 0.9796000       6.546000      0.7602000     -0.2927000       1.240000
  1 1 1     -13  -15   29 o    5.513000      0.6856000       5.123000 1.089000       5.903000      0.8338000     -0.7802000       1.371000
  1 1 1     -13  -15   30 o    2.123000      0.6312000       2.502000 0.9703000       1.743000      0.8074000      0.7597000       1.262000
  1 1 1     -13  -15   31 o    3.473000      0.5808000       3.763000 0.8222000       3.183000      0.8205000      0.5801000       1.162000
  1 1 1     -13  -15   32 o    4.516000      0.7517000       5.250000 0.9787000       3.781000       1.141000       1.469000       1.503000
  1 1 1     -13  -15   33 o    2.441000      0.6532000       2.232000 0.9064000       2.650000      0.9409000     -0.4179000       1.306000
  1 1 1     -13  -15   34 o    4.317000      0.5566000       4.353000 0.7981000       4.281000      0.7761000      0.7187000E-01   1.113000
  1 1 1     -13  -14    1 f    15.32000      0.2364000       15.03000 0.3297000       15.62000      0.3388000     -0.5922000      0.4728000
  1 1 1     -13  -14    2 o    15.11000      0.2364000       14.90000 0.3299000       15.32000      0.3385000     -0.4177000      0.4727000
  1 1 1     -13  -14    3 o    7.514000      0.2011000       7.615000 0.2886000       7.412000      0.2801000      0.2038000      0.4021000
  1 1 1     -13  -14    4 o    11.01000      0.2056000       11.04000 0.2917000       10.98000      0.2897000      0.6648000E-01  0.4111000
  1 1 1     -13  -14    5 o    9.309000      0.2032000       9.285000 0.2889000       9.332000      0.2858000     -0.4715000E-01  0.4064000
  1 1 1     -13  -14    6 o    13.30000      0.2272000       13.44000 0.3242000       13.17000      0.3184000      0.2644000      0.4544000
  1 1 1     -13  -14    7 o    3.527000      0.3603000       3.393000 0.5068000       3.660000      0.5122000     -0.2666000      0.7206000
  1 1 1     -13  -14    8 o    3.579000      0.3562000       3.591000 0.4926000       3.567000      0.5148000      0.2376000E-01  0.7125000
  1 1 1     -13  -14    9 o    8.681000      0.2272000       8.647000 0.3221000       8.714000      0.3206000     -0.6663000E-01  0.4545000
  1 1 1     -13  -14   10 o    5.343000      0.3880000       4.990000 0.6051000       5.695000      0.4857000     -0.7047000      0.7759000
  1 1 1     -13  -14   11 o    10.49000      0.3350000       10.42000 0.4916000       10.55000      0.4553000     -0.1303000      0.6701000
  1 1 1     -13  -14   12 o    9.789000      0.2310000       9.793000 0.3307000       9.785000      0.3225000      0.7553000E-02  0.4619000
  1 1 1     -13  -14   13 o    2.304000      0.4837000       1.541000 0.6610000       3.068000      0.7064000      -1.526000      0.9675000
  1 1 1     -13  -14   14 o    5.629000      0.4185000       4.792000 0.6079000       6.467000      0.5752000      -1.675000      0.8369000
  1 1 1     -13  -14   15 o    4.404000      0.3919000       4.523000 0.5447000       4.285000      0.5636000      0.2384000      0.7838000
  1 1 1     -13  -14   16 o    8.567000      0.2627000       8.391000 0.3730000       8.744000      0.3700000     -0.3535000      0.5254000
  1 1 1     -13  -14   17 o    8.847000      0.2609000       9.343000 0.3636000       8.352000      0.3743000      0.9905000      0.5218000
  1 1 1     -13  -14   18 o    10.99000      0.2548000       11.30000 0.3619000       10.67000      0.3587000      0.6311000      0.5095000
  1 1 1     -13  -14   19 o    5.888000      0.3292000       5.902000 0.4662000       5.875000      0.4650000      0.2660000E-01  0.6584000
  1 1 1     -13  -14   20 o    7.676000      0.2897000       7.842000 0.4052000       7.510000      0.4140000      0.3318000      0.5793000
  1 1 1     -13  -14   21 o    7.099000      0.3091000       7.248000 0.4429000       6.951000      0.4313000      0.2965000      0.6182000
  1 1 1     -13  -14   22 o    8.798000      0.2844000       8.908000 0.4085000       8.688000      0.3958000      0.2208000      0.5688000
  1 1 1     -13  -14   23 o    9.476000      0.2774000       9.380000 0.3907000       9.572000      0.3940000     -0.1915000      0.5549000
  1 1 1     -13  -14   24 o    2.432000      0.6088000       2.165000 0.8550000       2.700000      0.8669000     -0.5349000       1.218000
  1 1 1     -13  -14   25 o    2.392000      0.6247000       2.612000 0.9035000       2.171000      0.8628000      0.4408000       1.249000
  1 1 1     -13  -14   26 o    4.407000      0.4814000       4.438000 0.6686000       4.376000      0.6928000      0.6208000E-01  0.9629000
  1 1 1     -13  -14   27 o    4.777000      0.5175000       4.191000 0.8146000       5.364000      0.6384000      -1.174000       1.035000
  1 1 1     -13  -14   28 o    8.880000      0.3287000       8.540000 0.4794000       9.220000      0.4497000     -0.6804000      0.6573000
  1 1 1     -13  -14   29 o    4.150000      0.7406000       5.508000 1.038000       2.792000       1.056000       2.716000       1.481000
  1 1 1     -13  -14   30 o    2.912000      0.6557000       3.433000 0.9145000       2.391000      0.9400000       1.041000       1.311000
  1 1 1     -13  -14   31 o    2.704000      0.6206000       3.688000 0.9455000       1.720000      0.8040000       1.968000       1.241000
  1 1 1     -13  -14   32 o    7.039000      0.5147000       7.150000 0.7284000       6.928000      0.7275000      0.2215000       1.029000
  1 1 1     -13  -14   33 o    2.901000      0.6603000       3.349000 0.9301000       2.454000      0.9376000      0.8954000       1.321000
  1 1 1     -13  -14   34 o    3.263000      0.6451000       3.882000 0.8833000       2.645000      0.9403000       1.237000       1.290000
  1 1 1     -13  -13    1 o    12.34000      0.2074000       12.60000 0.2946000       12.08000      0.2920000      0.5198000      0.4148000
  1 1 1     -13  -13    2 o    12.55000      0.2121000       12.18000 0.2936000       12.92000      0.3062000     -0.7359000      0.4242000
  1 1 1     -13  -13    3 o    6.750000      0.2053000       6.546000 0.2883000       6.955000      0.2924000     -0.4099000      0.4106000
  1 1 1     -13  -13    4 o    12.82000      0.2186000       12.40000 0.3035000       13.25000      0.3147000     -0.8482000      0.4372000
  1 1 1     -13  -13    5 o    11.15000      0.2084000       11.17000 0.2940000       11.13000      0.2954000      0.4461000E-01  0.4168000
  1 1 1     -13  -13    6 o    11.78000      0.2157000       12.06000 0.3055000       11.51000      0.3047000      0.5522000      0.4315000
  1 1 1     -13  -13    7 o    14.24000      0.2369000       14.42000 0.3382000       14.05000      0.3317000      0.3699000      0.4738000
  1 1 1     -13  -13    8 o    5.835000      0.2567000       5.941000 0.3539000       5.729000      0.3720000      0.2111000      0.5135000
  1 1 1     -13  -13    9 o    11.81000      0.2261000       11.61000 0.3176000       12.00000      0.3218000     -0.3890000      0.4522000
  1 1 1     -13  -13   10 o    1.772000      0.4822000       1.854000 0.6884000       1.691000      0.6755000      0.1629000      0.9644000
  1 1 1     -13  -13   11 o    4.489000      0.4972000       4.513000 0.7830000       4.465000      0.6130000      0.4846000E-01  0.9945000
  1 1 1     -13  -13   12 o    11.52000      0.3361000       11.46000 0.4871000       11.58000      0.4632000     -0.1225000      0.6722000
  1 1 1     -13  -13   13 o    5.514000      0.2738000       5.506000 0.3850000       5.522000      0.3896000     -0.1627000E-01  0.5477000
  1 1 1     -13  -13   14 o    1.534000      0.4719000       1.304000 0.6117000       1.763000      0.7187000     -0.4588000      0.9438000
  1 1 1     -13  -13   15 o    6.640000      0.3544000       6.177000 0.4831000       7.102000      0.5186000     -0.9251000      0.7088000
  1 1 1     -13  -13   16 o    10.53000      0.2518000       10.09000 0.3568000       10.97000      0.3553000     -0.8824000      0.5035000
  1 1 1     -13  -13   17 o    8.341000      0.2642000       8.499000 0.3682000       8.183000      0.3791000      0.3163000      0.5284000
  1 1 1     -13  -13   18 o    5.067000      0.3577000       5.214000 0.4983000       4.921000      0.5134000      0.2934000      0.7154000
  1 1 1     -13  -13   19 o    9.071000      0.2609000       8.633000 0.3744000       9.510000      0.3636000     -0.8768000      0.5219000
  1 1 1     -13  -13   20 f    6.956000      0.3094000       7.081000 0.4473000       6.830000      0.4277000      0.2508000      0.6188000
  1 1 1     -13  -13   21 o    4.241000      0.4748000       3.872000 0.7316000       4.609000      0.6053000     -0.7372000      0.9495000
  1 1 1     -13  -13   22 o    8.455000      0.4137000       8.455000 0.4137000                  ?              ?              ?              ?
  1 1 1     -13  -13   23 o    5.481000      0.3564000       5.293000 0.5068000       5.668000      0.5012000     -0.3744000      0.7128000
  1 1 1     -13  -13   24 o    5.285000      0.5526000                  ?       ?   5.285000      0.5526000                  ?              ?
  1 1 1     -13  -13   25 o    3.558000      0.5847000       3.587000 0.8156000       3.529000      0.8382000      0.5802000E-01   1.169000
  1 1 1     -13  -13   26 o    5.316000      0.4265000       5.266000 0.6077000       5.367000      0.5987000     -0.1018000      0.8531000
  1 1 1     -13  -13   27 o    2.292000      0.6272000       2.474000 0.9015000       2.110000      0.8723000      0.3643000       1.254000
  1 1 1     -13  -13   28 o    7.202000      0.3669000       6.687000 0.5352000       7.718000      0.5020000      -1.031000      0.7338000
  1 1 1     -13  -13   29 o    2.277000      0.7216000       2.374000 1.055000       2.181000      0.9853000      0.1937000       1.443000
  1 1 1     -13  -13   30 f    2.700000      0.7905000       2.915000 1.188000       2.486000       1.043000      0.4295000       1.581000
  1 1 1     -13  -13   31 o    2.384000      0.6505000       2.128000 0.8937000       2.639000      0.9455000     -0.5108000       1.301000
  1 1 1     -13  -13   32 o    3.478000      0.7961000       3.215000 1.110000       3.741000       1.142000     -0.5260000       1.592000
  1 1 1     -13  -13   33 o    2.946000      0.7674000       3.179000 1.079000       2.714000       1.091000      0.4649000       1.535000
  1 1 1     -13  -13   34 o    3.670000      0.6273000       3.271000 0.9363000       4.068000      0.8351000     -0.7969000       1.255000
  1 1 1     -13  -12    1 o    7.691000      0.1876000       7.630000 0.2648000       7.752000      0.2659000     -0.1224000      0.3753000
  1 1 1     -13  -12    2 o    7.048000      0.1967000       6.860000 0.2812000       7.236000      0.2752000     -0.3758000      0.3934000
  1 1 1     -13  -12    3 o    6.983000      0.2027000       6.966000 0.2845000       7.000000      0.2886000     -0.3344000E-01  0.4053000
  1 1 1     -13  -12    4 o    8.979000      0.1986000       9.021000 0.2825000       8.936000      0.2792000      0.8506000E-01  0.3972000
  1 1 1     -13  -12    5 o    7.980000      0.2025000       7.815000 0.2853000       8.144000      0.2875000     -0.3288000      0.4050000
  1 1 1     -13  -12    6 o    3.991000      0.3181000       3.422000 0.5049000       4.561000      0.3871000      -1.139000      0.6362000
  1 1 1     -13  -12    7 o    11.07000      0.2119000       10.98000 0.3026000       11.16000      0.2967000     -0.1768000      0.4238000
  1 1 1     -13  -12    8 o    8.083000      0.2114000       7.840000 0.2947000       8.326000      0.3032000     -0.4861000      0.4228000
  1 1 1     -13  -12    9 o    12.91000      0.2316000       13.01000 0.3282000       12.81000      0.3268000      0.2062000      0.4632000
  1 1 1     -13  -12   10 o    4.087000      0.3274000       4.170000 0.4399000       4.005000      0.4850000      0.1649000      0.6548000
  1 1 1     -13  -12   11 o    7.721000      0.2279000       7.828000 0.3239000       7.615000      0.3208000      0.2128000      0.4559000
  1 1 1     -13  -12   12 o    14.37000      0.3551000       15.13000 0.5207000       13.62000      0.4828000       1.508000      0.7101000
  1 1 1     -13  -12   13 o    2.143000      0.6011000       1.955000 0.8309000       2.331000      0.8689000     -0.3753000       1.202000
  1 1 1     -13  -12   14 o    3.643000      0.3947000       3.556000 0.5658000       3.730000      0.5503000     -0.1735000      0.7893000
  1 1 1     -13  -12   15 o    5.260000      0.4034000       4.436000 0.6016000       6.085000      0.5375000      -1.648000      0.8067000
  1 1 1     -13  -12   16 o    8.180000      0.3497000       7.534000 0.4868000       8.825000      0.5022000      -1.291000      0.6994000
  1 1 1     -13  -12   17 o    11.61000      0.2518000       11.19000 0.3532000       12.03000      0.3589000     -0.8380000      0.5036000
  1 1 1     -13  -12   18 f    7.354000      0.2800000       7.659000 0.3912000       7.048000      0.4008000      0.6111000      0.5601000
  1 1 1     -13  -12   19 o    6.108000      0.3119000       6.209000 0.4349000       6.006000      0.4474000      0.2032000      0.6239000
  1 1 1     -13  -12   20 o    2.602000      0.5663000       2.374000 0.8205000       2.831000      0.7806000     -0.4576000       1.133000
  1 1 1     -13  -12   21 o    7.284000      0.3048000       7.736000 0.4155000       6.832000      0.4461000      0.9047000      0.6097000
  1 1 1     -13  -12   22 o    4.237000      0.6735000       4.237000 0.6735000                  ?              ?              ?              ?
  1 1 1     -13  -12   23 o    13.45000      0.2699000       13.10000 0.3791000       13.80000      0.3842000     -0.6970000      0.5397000
  1 1 1     -13  -12   24 o    9.476000      0.4016000                  ?       ?   9.476000      0.4016000                  ?              ?
  1 1 1     -13  -12   25 o    3.657000      0.5417000       4.337000 0.6651000       2.976000      0.8552000       1.361000       1.083000
  1 1 1     -13  -12   26 o    2.920000      0.6200000       2.394000 0.8975000       3.447000      0.8556000      -1.053000       1.240000
  1 1 1     -13  -12   27 o    2.795000      0.6020000       3.382000 0.8319000       2.209000      0.8705000       1.173000       1.204000
  1 1 1     -13  -12   28 o    4.256000      0.5458000       4.353000 0.7475000       4.159000      0.7956000      0.1938000       1.092000
  1 1 1     -13  -12   29 o    4.054000      0.5970000       3.705000 0.8952000       4.404000      0.7902000     -0.6996000       1.194000
  1 1 1     -13  -12   30 o    4.543000      0.7618000       4.260000 1.207000       4.826000      0.9299000     -0.5660000       1.524000
  1 1 1     -13  -12   31 o    4.060000      0.5931000       3.125000 0.9595000       4.995000      0.6976000      -1.869000       1.186000
  1 1 1     -13  -12   32 o    2.362000      0.6390000       2.871000 0.9699000       1.853000      0.8322000       1.019000       1.278000
  1 1 1     -13  -12   33 o    2.449000      0.7259000       2.512000 1.024000       2.386000       1.029000      0.1266000       1.452000
  1 1 1     -13  -12   34 o    1.981000      0.6027000       2.186000 0.8934000       1.775000      0.8092000      0.4111000       1.205000
  1 1 1     -13  -12   35 o    2.399000       1.070000       2.399000 1.070000                  ?              ?              ?              ?
  1 1 1     -13  -11    1 o    16.43000      0.2470000       16.16000 0.3451000       16.71000      0.3534000     -0.5452000      0.4939000
  1 1 1     -13  -11    2 o    3.590000      0.2907000       3.768000 0.3683000       3.412000      0.4499000      0.3560000      0.5814000
  1 1 1     -13  -11    3 f    5.406000      0.2196000       5.598000 0.2966000       5.213000      0.3241000      0.3847000      0.4393000
  1 1 1     -13  -11    4 f    11.07000      0.2050000       11.03000 0.2895000       11.12000      0.2903000     -0.8737000E-01  0.4099000
  1 1 1     -13  -11    5 o    4.437000      0.2685000       4.500000 0.3677000       4.375000      0.3913000      0.1248000      0.5369000
  1 1 1     -13  -11    6 o    9.175000      0.2035000       9.268000 0.2900000       9.083000      0.2855000      0.1850000      0.4069000
  1 1 1     -13  -11    7 o    2.405000      0.4381000       2.401000 0.6080000       2.408000      0.6308000     -0.7072000E-02  0.8762000
  1 1 1     -13  -11    8 o    9.007000      0.2087000       8.761000 0.2934000       9.252000      0.2969000     -0.4909000      0.4174000
  1 1 1     -13  -11    9 o    3.669000      0.3428000       3.917000 0.4462000       3.420000      0.5205000      0.4969000      0.6856000
  1 1 1     -13  -11   10 o    6.197000      0.2452000       6.026000 0.3442000       6.368000      0.3494000     -0.3417000      0.4904000
  1 1 1     -13  -11   11 o    10.91000      0.2224000       11.08000 0.3157000       10.74000      0.3133000      0.3455000      0.4448000
  1 1 1     -13  -11   12 o    9.046000      0.2283000       9.142000 0.3206000       8.949000      0.3252000      0.1928000      0.4567000
  1 1 1     -13  -11   13 o    5.546000      0.4198000       5.666000 0.6100000       5.426000      0.5768000      0.2399000      0.8395000
  1 1 1     -13  -11   14 o    6.762000      0.2532000       6.848000 0.3648000       6.677000      0.3512000      0.1708000      0.5064000
  1 1 1     -13  -11   15 o    6.109000      0.2804000       6.163000 0.3910000       6.054000      0.4021000      0.1081000      0.5609000
  1 1 1     -13  -11   16 o    6.535000      0.3782000       6.496000 0.4979000       6.575000      0.5694000     -0.7833000E-01  0.7564000
  1 1 1     -13  -11   17 o    8.993000      0.3406000       9.089000 0.4480000       8.896000      0.5132000      0.1925000      0.6813000
  1 1 1     -13  -11   18 o    5.511000      0.3263000       5.665000 0.4481000       5.357000      0.4743000      0.3086000      0.6525000
  1 1 1     -13  -11   19 o    4.082000      0.4372000       4.283000 0.5994000       3.882000      0.6365000      0.4018000      0.8744000
  1 1 1     -13  -11   20 o    2.892000      0.5457000       3.346000 0.7281000       2.438000      0.8130000      0.9077000       1.091000
  1 1 1     -13  -11   21 o    12.72000      0.2624000       12.75000 0.3722000       12.70000      0.3700000      0.4746000E-01  0.5248000
  1 1 1     -13  -11   22 o    6.731000      0.3178000       7.408000 0.4138000       6.055000      0.4824000       1.352000      0.6355000
  1 1 1     -13  -11   23 o    15.72000      0.2837000       15.64000 0.3984000       15.80000      0.4041000     -0.1570000      0.5674000
  1 1 1     -13  -11   24 o    10.72000      0.2732000       10.63000 0.3829000       10.80000      0.3898000     -0.1727000      0.5464000
  1 1 1     -13  -11   25 o    14.84000      0.2829000       15.09000 0.4035000       14.58000      0.3965000      0.5107000      0.5658000
  1 1 1     -13  -11   26 o    6.624000      0.3537000       6.301000 0.5193000       6.947000      0.4804000     -0.6456000      0.7074000
  1 1 1     -13  -11   27 o    3.263000      0.6052000       3.885000 0.7910000       2.641000      0.9161000       1.244000       1.210000
  1 1 1     -13  -11   28 o    3.521000      0.6122000       3.838000 0.8090000       3.204000      0.9192000      0.6348000       1.224000
  1 1 1     -13  -11   29 o    4.761000      0.5215000       4.489000 0.7834000       5.033000      0.6887000     -0.5437000       1.043000
  1 1 1     -13  -11   30 o    2.318000      0.6872000       1.933000 0.9157000       2.702000       1.025000     -0.7689000       1.374000
  1 1 1     -13  -11   31 o    4.542000      0.5816000       5.111000 0.7224000       3.972000      0.9115000       1.140000       1.163000
  1 1 1     -13  -11   32 o    2.061000      0.6218000       2.347000 0.9405000       1.775000      0.8135000      0.5729000       1.244000
  1 1 1     -13  -11   33 o    3.129000      0.7828000       2.578000 1.056000       3.679000       1.156000      -1.101000       1.566000
  1 1 1     -13  -11   34 o    2.582000      0.5956000       3.519000 0.9125000       1.644000      0.7656000       1.875000       1.191000
  1 1 1     -13  -11   35 o    2.355000      0.6449000       2.429000 0.9228000       2.280000      0.9012000      0.1488000       1.290000
  1 1 1     -13  -10    1 o    5.348000      0.2121000       5.662000 0.2797000       5.034000      0.3189000      0.6280000      0.4242000
  1 1 1     -13  -10    2 o    12.60000      0.2085000       12.71000 0.2959000       12.50000      0.2938000      0.2028000      0.4170000
  1 1 1     -13  -10    3 o    6.704000      0.1928000       6.790000 0.2704000       6.618000      0.2750000      0.1716000      0.3857000
  1 1 1     -13  -10    4 o    8.621000      0.1943000       8.390000 0.2741000       8.852000      0.2753000     -0.4620000      0.3885000
  1 1 1     -13  -10    5 o    7.925000      0.1984000       7.831000 0.2838000       8.019000      0.2775000     -0.1882000      0.3969000
  1 1 1     -13  -10    6 f    15.93000      0.2480000       16.20000 0.3550000       15.67000      0.3465000      0.5343000      0.4961000
  1 1 1     -13  -10    7 o    8.818000      0.2038000       8.567000 0.2913000       9.069000      0.2851000     -0.5025000      0.4076000
  1 1 1     -13  -10    8 o    11.46000      0.2148000       11.63000 0.3075000       11.29000      0.3000000      0.3348000      0.4296000
  1 1 1     -13  -10    9 o    3.435000      0.3458000       3.365000 0.4962000       3.506000      0.4818000     -0.1404000      0.6916000
  1 1 1     -13  -10   10 o    4.405000      0.2914000       4.537000 0.4057000       4.274000      0.4185000      0.2630000      0.5829000
  1 1 1     -13  -10   11 o    11.08000      0.2227000       11.22000 0.3174000       10.94000      0.3126000      0.2711000      0.4455000
  1 1 1     -13  -10   12 o    12.40000      0.2315000       12.55000 0.3276000       12.25000      0.3272000      0.3007000      0.4630000
  1 1 1     -13  -10   13 o    8.006000      0.3386000       7.782000 0.5039000       8.230000      0.4524000     -0.4478000      0.6772000
  1 1 1     -13  -10   14 o    3.316000      0.6119000       3.238000 0.9113000       3.393000      0.8168000     -0.1558000       1.224000
  1 1 1     -13  -10   15 o    4.387000      0.3658000       5.048000 0.4479000       3.726000      0.5786000       1.322000      0.7317000
  1 1 1     -13  -10   16 o    3.641000      0.4907000       2.893000 0.6059000       4.389000      0.7720000      -1.496000      0.9814000
  1 1 1     -13  -10   17 o    5.280000      0.4488000       5.308000 0.5888000       5.253000      0.6776000      0.5509000E-01  0.8977000
  1 1 1     -13  -10   18 o    3.174000      0.4934000       2.574000 0.7896000       3.775000      0.5920000      -1.201000      0.9868000
  1 1 1     -13  -10   19 o    5.732000      0.3260000       5.719000 0.4565000       5.745000      0.4656000     -0.2645000E-01  0.6521000
  1 1 1     -13  -10   20 o    14.72000      0.2668000       14.62000 0.3770000       14.82000      0.3775000     -0.1996000      0.5336000
  1 1 1     -13  -10   21 o    6.517000      0.3138000       6.166000 0.4618000       6.868000      0.4249000     -0.7024000      0.6275000
  1 1 1     -13  -10   22 o    10.38000      0.2611000       10.28000 0.3714000       10.49000      0.3671000     -0.2092000      0.5222000
  1 1 1     -13  -10   23 o    6.237000      0.3337000       6.450000 0.4443000       6.023000      0.4981000      0.4269000      0.6675000
  1 1 1     -13  -10   24 o    14.84000      0.2773000       15.72000 0.4000000       13.96000      0.3841000       1.764000      0.5546000
  1 1 1     -13  -10   25 o    4.223000      0.5067000       3.709000 0.7878000       4.738000      0.6374000      -1.029000       1.013000
  1 1 1     -13  -10   26 o    8.047000      0.3105000       7.496000 0.4578000       8.597000      0.4196000      -1.101000      0.6210000
  1 1 1     -13  -10   27 o    7.510000      0.3340000       7.437000 0.4669000       7.583000      0.4778000     -0.1465000      0.6681000
  1 1 1     -13  -10   28 o    2.113000      0.5979000       1.673000 0.7677000       2.554000      0.9168000     -0.8809000       1.196000
  1 1 1     -13  -10   29 o    4.920000      0.5006000       4.448000 0.7780000       5.391000      0.6303000     -0.9422000       1.001000
  1 1 1     -13  -10   30 o    4.420000      0.7649000       4.413000 1.155000       4.428000       1.003000     -0.1451000E-01   1.530000
  1 1 1     -13  -10   31 o    2.279000      0.7036000       1.968000 0.9326000       2.590000       1.054000     -0.6221000       1.407000
  1 1 1     -13  -10   32 o    2.673000      0.6822000       2.807000 0.9717000       2.539000      0.9579000      0.2686000       1.364000
  1 1 1     -13  -10   33 o    5.385000      0.6830000       5.094000 0.9633000       5.676000      0.9685000     -0.5816000       1.366000
  1 1 1     -13  -10   34 o    1.862000      0.5717000       1.781000 0.7992000       1.942000      0.8179000     -0.1603000       1.143000
  1 1 1     -13  -10   35 o    4.388000      0.5361000       3.651000 0.8705000       5.125000      0.6260000      -1.474000       1.072000
  1 1 1     -13   -9    1 o    3.304000      0.2864000       3.412000 0.3963000       3.197000      0.4136000      0.2150000      0.5728000
  1 1 1     -13   -9    2 o    10.27000      0.1908000       10.08000 0.2679000       10.45000      0.2718000     -0.3669000      0.3817000
  1 1 1     -13   -9    3 o    3.443000      0.2920000       3.449000 0.4194000       3.436000      0.4064000      0.1265000E-01  0.5840000
  1 1 1     -13   -9    4 o    12.45000      0.2098000       12.18000 0.2949000       12.71000      0.2984000     -0.5257000      0.4195000
  1 1 1     -13   -9    5 o    4.641000      0.2463000       4.440000 0.3629000       4.842000      0.3331000     -0.4025000      0.4926000
  1 1 1     -13   -9    6 o    6.192000      0.2075000       6.191000 0.2994000       6.194000      0.2873000     -0.3167000E-02  0.4150000
  1 1 1     -13   -9    7 o    8.556000      0.2011000       8.932000 0.2870000       8.180000      0.2818000      0.7511000      0.4022000
  1 1 1     -13   -9    8 o    13.18000      0.2263000       13.67000 0.3274000       12.68000      0.3127000      0.9828000      0.4527000
  1 1 1     -13   -9    9 o    5.185000      0.2524000       5.423000 0.3393000       4.947000      0.3737000      0.4755000      0.5048000
  1 1 1     -13   -9   10 o    4.648000      0.2818000       4.417000 0.4137000       4.878000      0.3828000     -0.4613000      0.5636000
  1 1 1     -13   -9   11 o    12.68000      0.2305000       13.06000 0.3301000       12.30000      0.3217000      0.7565000      0.4610000
  1 1 1     -13   -9   12 o    10.37000      0.2230000       10.45000 0.3159000       10.29000      0.3149000      0.1573000      0.4460000
  1 1 1     -13   -9   13 o    1.076000      0.3683000      0.9758000 0.4806000       1.176000      0.5583000     -0.2001000      0.7367000
  1 1 1     -13   -9   14 o    7.927000      0.3443000       7.574000 0.5097000       8.279000      0.4630000     -0.7049000      0.6886000
  1 1 1     -13   -9   15 o    3.679000      0.3960000       3.642000 0.5779000       3.716000      0.5417000     -0.7377000E-01  0.7921000
  1 1 1     -13   -9   16 o    6.300000      0.2746000       6.028000 0.3937000       6.573000      0.3829000     -0.5452000      0.5492000
  1 1 1     -13   -9   17 o    11.15000      0.3432000       11.64000 0.4683000       10.66000      0.5019000      0.9790000      0.6864000
  1 1 1     -13   -9   18 o    8.178000      0.2700000       8.486000 0.3714000       7.869000      0.3920000      0.6167000      0.5400000
  1 1 1     -13   -9   19 o    7.667000      0.2745000       7.924000 0.3853000       7.411000      0.3913000      0.5127000      0.5491000
  1 1 1     -13   -9   20 o    8.965000      0.2606000       8.720000 0.3666000       9.211000      0.3706000     -0.4911000      0.5213000
  1 1 1     -13   -9   21 o    10.06000      0.2589000       9.993000 0.3736000       10.12000      0.3586000     -0.1293000      0.5179000
  1 1 1     -13   -9   22 o    8.340000      0.2782000       8.870000 0.3850000       7.809000      0.4017000       1.061000      0.5564000
  1 1 1     -13   -9   23 o    13.85000      0.3846000       13.85000 0.3846000                  ?              ?              ?              ?
  1 1 1     -13   -9   24 o    15.64000      0.2833000       15.54000 0.3997000       15.74000      0.4015000     -0.1965000      0.5665000
  1 1 1     -13   -9   25 o    4.889000      0.4523000       4.236000 0.7229000       5.542000      0.5438000      -1.305000      0.9046000
  1 1 1     -13   -9   26 f    2.743000      0.6289000       2.727000 0.9001000       2.759000      0.8786000     -0.3238000E-01   1.258000
  1 1 1     -13   -9   27 f    2.261000      0.6090000       2.522000 0.8883000       1.999000      0.8332000      0.5238000       1.218000
  1 1 1     -13   -9   28 o    7.703000      0.3283000       7.674000 0.4616000       7.732000      0.4669000     -0.5757000E-01  0.6566000
  1 1 1     -13   -9   29 o    3.895000      0.5947000       4.052000 0.8086000       3.738000      0.8722000      0.3144000       1.189000
  1 1 1     -13   -9   30 o    6.663000      0.5867000       6.261000 0.9220000       7.065000      0.7258000     -0.8042000       1.173000
  1 1 1     -13   -9   31 o    3.164000      0.7832000       3.655000 1.170000       2.673000       1.042000      0.9822000       1.566000
  1 1 1     -13   -9   32 o    2.855000      0.6788000       2.648000 0.9566000       3.063000      0.9633000     -0.4150000       1.358000
  1 1 1     -13   -9   33 o    3.139000      0.7573000       3.821000 1.077000       2.457000       1.065000       1.363000       1.515000
  1 1 1     -13   -9   34 o    2.766000      0.7565000       2.411000 1.019000       3.121000       1.118000     -0.7098000       1.513000
  1 1 1     -13   -9   35 o    2.611000      0.6504000       2.962000 0.9365000       2.260000      0.9026000      0.7018000       1.301000
  1 1 1     -13   -8    1 o    8.119000      0.1798000       8.278000 0.2550000       7.960000      0.2535000      0.3177000      0.3596000
  1 1 1     -13   -8    2 o    9.460000      0.1859000       9.287000 0.2629000       9.633000      0.2629000     -0.3463000      0.3718000
  1 1 1     -13   -8    3 o    8.724000      0.1861000       8.647000 0.2590000       8.800000      0.2673000     -0.1525000      0.3721000
  1 1 1     -13   -8    4 o    13.24000      0.2167000       12.95000 0.3033000       13.52000      0.3096000     -0.5707000      0.4334000
  1 1 1     -13   -8    5 o    14.24000      0.2845000       14.59000 0.4716000       13.90000      0.3185000      0.6894000      0.5691000
  1 1 1     -13   -8    6 o    10.29000      0.2010000       10.31000 0.2854000       10.28000      0.2830000      0.3053000E-01  0.4020000
  1 1 1     -13   -8    7 o    13.43000      0.2251000       13.38000 0.3170000       13.47000      0.3196000     -0.9579000E-01  0.4502000
  1 1 1     -13   -8    8 o    5.043000      0.2503000       5.005000 0.3557000       5.081000      0.3523000     -0.7546000E-01  0.5006000
  1 1 1     -13   -8    9 o    4.477000      0.2674000       4.713000 0.3667000       4.240000      0.3893000      0.4738000      0.5348000
  1 1 1     -13   -8   10 o    3.188000      0.3757000       3.041000 0.5331000       3.334000      0.5295000     -0.2928000      0.7514000
  1 1 1     -13   -8   11 o    12.87000      0.2284000       12.75000 0.3220000       12.98000      0.3242000     -0.2242000      0.4569000
  1 1 1     -13   -8   12 o    4.235000      0.3211000       4.640000 0.3995000       3.830000      0.5029000      0.8091000      0.6423000
  1 1 1     -13   -8   13 o    12.36000      0.2326000       12.24000 0.3280000       12.48000      0.3298000     -0.2363000      0.4652000
  1 1 1     -13   -8   14 o    4.166000      0.5050000       4.003000 0.7327000       4.329000      0.6952000     -0.3255000       1.010000
  1 1 1     -13   -8   15 o    6.513000      0.2749000       6.684000 0.3819000       6.342000      0.3954000      0.3416000      0.5497000
  1 1 1     -13   -8   16 o    7.004000      0.2589000       6.922000 0.3676000       7.086000      0.3646000     -0.1647000      0.5177000
  1 1 1     -13   -8   17 o    6.056000      0.4274000       6.568000 0.5346000       5.545000      0.6670000       1.023000      0.8547000
  1 1 1     -13   -8   18 o    6.810000      0.3807000       6.406000 0.5366000       7.214000      0.5401000     -0.8081000      0.7613000
  1 1 1     -13   -8   19 o    9.661000      0.2546000       9.354000 0.3666000       9.968000      0.3533000     -0.6136000      0.5091000
  1 1 1     -13   -8   20 o    3.180000      0.5090000       3.034000 0.7479000       3.326000      0.6907000     -0.2918000       1.018000
  1 1 1     -13   -8   21 o    8.818000      0.2672000       8.495000 0.3865000       9.141000      0.3691000     -0.6456000      0.5344000
  1 1 1     -13   -8   22 o    3.617000      0.5134000       3.694000 0.7223000       3.540000      0.7299000      0.1539000       1.027000
  1 1 1     -13   -8   23 f    6.800000      0.4516000       6.800000 0.4516000                  ?              ?              ?              ?
  1 1 1     -13   -8   24 o    6.418000      0.3256000       6.227000 0.4687000       6.609000      0.4521000     -0.3820000      0.6512000
  1 1 1     -13   -8   25 o    3.937000      0.7170000                  ?       ?   3.937000      0.7170000                  ?              ?
  1 1 1     -13   -8   26 o    12.36000      0.2777000       12.91000 0.3997000       11.81000      0.3857000       1.102000      0.5554000
  1 1 1     -13   -8   27 o    4.144000      0.5301000       3.858000 0.8053000       4.430000      0.6895000     -0.5717000       1.060000
  1 1 1     -13   -8   28 o    7.384000      0.3365000       7.687000 0.4635000       7.081000      0.4879000      0.6060000      0.6729000
  1 1 1     -13   -8   29 o    6.819000      0.3751000       6.560000 0.5490000       7.078000      0.5112000     -0.5184000      0.7502000
  1 1 1     -13   -8   30 o    6.231000      0.3681000       6.310000 0.5267000       6.151000      0.5145000      0.1586000      0.7363000
  1 1 1     -13   -8   31 o    3.325000      0.8153000       3.082000 1.193000       3.568000       1.111000     -0.4859000       1.631000
  1 1 1     -13   -8   32 o    2.936000      0.6808000       2.817000 0.9552000       3.055000      0.9702000     -0.2382000       1.362000
  1 1 1     -13   -8   33 o    3.208000      0.7997000       3.602000 1.124000       2.814000       1.137000      0.7879000       1.599000
  1 1 1     -13   -8   34 o    2.985000      0.7690000       2.779000 1.080000       3.191000       1.095000     -0.4128000       1.538000
  1 1 1     -13   -8   35 o    2.674000      0.6341000       2.085000 0.8835000       3.262000      0.9097000      -1.177000       1.268000
  1 1 1     -13   -7    1 o    7.571000      0.2512000       7.898000 0.3524000       7.244000      0.3581000      0.6534000      0.5024000
  1 1 1     -13   -7    2 o    9.047000      0.1826000       9.085000 0.2582000       9.008000      0.2583000      0.7793000E-01  0.3652000
  1 1 1     -13   -7    3 o    8.593000      0.1844000       8.707000 0.2607000       8.479000      0.2609000      0.2280000      0.3688000
  1 1 1     -13   -7    4 o    10.92000      0.1966000       10.74000 0.2760000       11.09000      0.2800000     -0.3514000      0.3932000
  1 1 1     -13   -7    5 o    14.71000      0.2317000       14.63000 0.3279000       14.80000      0.3275000     -0.1718000      0.4635000
  1 1 1     -13   -7    6 o    3.184000      0.3255000       2.823000 0.5018000       3.545000      0.4147000     -0.7224000      0.6510000
  1 1 1     -13   -7    7 o    7.258000      0.2040000       7.323000 0.2866000       7.192000      0.2903000      0.1308000      0.4080000
  1 1 1     -13   -7    8 o    19.45000      0.2873000       19.46000 0.4065000       19.45000      0.4061000      0.4183000E-02  0.5746000
  1 1 1     -13   -7    9 o    5.992000      0.2265000       6.265000 0.3148000       5.719000      0.3257000      0.5452000      0.4529000
  1 1 1     -13   -7   10 o    7.518000      0.2129000       7.579000 0.3021000       7.456000      0.2999000      0.1233000      0.4257000
  1 1 1     -13   -7   11 o    4.622000      0.2843000       4.843000 0.3896000       4.401000      0.4143000      0.4412000      0.5687000
  1 1 1     -13   -7   12 o    5.248000      0.2781000       5.538000 0.3886000       4.958000      0.3980000      0.5801000      0.5563000
  1 1 1     -13   -7   13 o    9.231000      0.2227000       8.836000 0.3152000       9.626000      0.3147000     -0.7907000      0.4454000
  1 1 1     -13   -7   16 o    10.74000      0.2378000       10.74000 0.3381000       10.74000      0.3345000      0.3283000E-02  0.4756000
  1 1 1     -13   -7   17 o    10.79000      0.3335000       10.72000 0.4644000       10.86000      0.4788000     -0.1384000      0.6670000
  1 1 1     -13   -7   18 o    11.66000      0.3466000       11.76000 0.4762000       11.56000      0.5038000      0.2027000      0.6932000
  1 1 1     -13   -7   19 o    12.91000      0.3171000       12.67000 0.3609000       13.15000      0.5216000     -0.4775000      0.6342000
  1 1 1     -13   -7   20 o    9.144000      0.2569000       9.555000 0.3646000       8.732000      0.3619000      0.8230000      0.5137000
  1 1 1     -13   -7   21 o    3.709000      0.4738000       3.902000 0.6636000       3.515000      0.6764000      0.3871000      0.9476000
  1 1 1     -13   -7   22 o    9.013000      0.2677000       9.044000 0.3846000       8.982000      0.3725000      0.6213000E-01  0.5354000
  1 1 1     -13   -7   23 o    7.872000      0.2837000       7.935000 0.4056000       7.808000      0.3967000      0.1264000      0.5673000
  1 1 1     -13   -7   24 o    10.53000      0.2666000       10.34000 0.3782000       10.72000      0.3759000     -0.3797000      0.5332000
  1 1 1     -13   -7   25 f    9.761000      0.3395000       9.120000 0.3661000       10.40000      0.5719000      -1.280000      0.6790000
  1 1 1     -13   -7   26 o    9.260000      0.2918000       9.649000 0.4120000       8.871000      0.4134000      0.7778000      0.5837000
  1 1 1     -13   -7   27 o    9.825000      0.2983000       10.03000 0.4194000       9.625000      0.4243000      0.4008000      0.5965000
  1 1 1     -13   -7   28 o    5.374000      0.4390000       5.164000 0.6333000       5.584000      0.6080000     -0.4204000      0.8780000
  1 1 1     -13   -7   29 o    2.297000      0.6186000       2.738000 0.9209000       1.856000      0.8262000      0.8815000       1.237000
  1 1 1     -13   -7   30 o    3.309000      0.5043000       4.743000 0.6194000       1.875000      0.7959000       2.869000       1.009000
  1 1 1     -13   -7   31 o    8.732000      0.4708000       7.901000 0.7297000       9.564000      0.5953000      -1.663000      0.9417000
  1 1 1     -13   -7   32 f    2.666000      0.6523000       3.216000 0.9483000       2.117000      0.8961000       1.099000       1.305000
  1 1 1     -13   -7   33 o    2.553000      0.7566000       2.461000 1.023000       2.645000       1.115000     -0.1845000       1.513000
  1 1 1     -13   -7   34 o    3.333000      0.7960000       2.944000 1.120000       3.723000       1.132000     -0.7787000       1.592000
  1 1 1     -13   -7   35 o    2.322000      0.6335000       2.730000 0.9525000       1.914000      0.8354000      0.8161000       1.267000
  1 1 1     -13   -6    1 o    3.555000      0.3638000       3.630000 0.5073000       3.480000      0.5215000      0.1495000      0.7275000
  1 1 1     -13   -6    2 o    10.46000      0.1901000       10.38000 0.2693000       10.55000      0.2682000     -0.1760000      0.3801000
  1 1 1     -13   -6    3 o    9.912000      0.1887000       10.12000 0.2685000       9.702000      0.2652000      0.4194000      0.3774000
  1 1 1     -13   -6    4 o    2.314000      0.3921000       2.149000 0.5818000       2.479000      0.5259000     -0.3298000      0.7843000
  1 1 1     -13   -6    5 o    12.29000      0.2088000       12.51000 0.2996000       12.07000      0.2910000      0.4404000      0.4176000
  1 1 1     -13   -6    6 o    5.862000      0.2085000       6.021000 0.2915000       5.703000      0.2982000      0.3180000      0.4170000
  1 1 1     -13   -6    7 o    6.921000      0.2022000       6.832000 0.2868000       7.009000      0.2851000     -0.1767000      0.4044000
  1 1 1     -13   -6    8 o    13.62000      0.2272000       13.90000 0.3257000       13.35000      0.3168000      0.5444000      0.4543000
  1 1 1     -13   -6    9 o    6.447000      0.2204000       6.525000 0.3134000       6.369000      0.3099000      0.1557000      0.4408000
  1 1 1     -13   -6   10 o    7.998000      0.2096000       7.828000 0.2983000       8.169000      0.2945000     -0.3403000      0.4191000
  1 1 1     -13   -6   11 o    4.867000      0.2610000       4.519000 0.3844000       5.214000      0.3532000     -0.6952000      0.5220000
  1 1 1     -13   -6   12 o    10.64000      0.2185000       10.71000 0.3102000       10.56000      0.3077000      0.1448000      0.4369000
  1 1 1     -13   -6   13 o    9.126000      0.2176000       9.040000 0.3075000       9.212000      0.3081000     -0.1728000      0.4352000
  1 1 1     -13   -6   14 o    4.412000      0.4581000       4.637000 0.6485000       4.188000      0.6473000      0.4493000      0.9163000
  1 1 1     -13   -6   15 o    7.031000      0.3619000       6.548000 0.5432000       7.513000      0.4783000     -0.9655000      0.7238000
  1 1 1     -13   -6   16 o    5.943000      0.2782000       6.151000 0.3964000       5.735000      0.3904000      0.4164000      0.5564000
  1 1 1     -13   -6   17 f    7.309000      0.3415000       7.302000 0.4716000       7.317000      0.4941000     -0.1493000E-01  0.6831000
  1 1 1     -13   -6   18 o    3.587000      0.5977000       3.696000 0.7921000       3.477000      0.8953000      0.2190000       1.195000
  1 1 1     -13   -6   19 o    6.192000      0.2962000       6.345000 0.4162000       6.039000      0.4215000      0.3065000      0.5924000
  1 1 1     -13   -6   20 o    5.523000      0.3267000       6.108000 0.4325000       4.937000      0.4896000       1.171000      0.6533000
  1 1 1     -13   -6   21 o    12.37000      0.2590000       12.73000 0.3682000       12.01000      0.3643000      0.7145000      0.5180000
  1 1 1     -13   -6   22 o    6.197000      0.3265000       5.865000 0.4834000       6.529000      0.4390000     -0.6644000      0.6530000
  1 1 1     -13   -6   23 o    7.547000      0.2907000       7.387000 0.4142000       7.707000      0.4080000     -0.3205000      0.5814000
  1 1 1     -13   -6   24 o    8.564000      0.2815000       8.862000 0.3882000       8.266000      0.4077000      0.5968000      0.5629000
  1 1 1     -13   -6   25 f    11.41000      0.2675000       11.81000 0.3797000       11.01000      0.3768000      0.7994000      0.5349000
  1 1 1     -13   -6   26 o    7.688000      0.3134000       8.257000 0.4286000       7.118000      0.4574000       1.139000      0.6269000
  1 1 1     -13   -6   27 o    7.917000      0.3158000       7.879000 0.4529000       7.956000      0.4404000     -0.7678000E-01  0.6317000
  1 1 1     -13   -6   28 o    4.974000      0.4602000       4.509000 0.7133000       5.438000      0.5817000     -0.9289000      0.9204000
  1 1 1     -13   -6   29 o    7.940000      0.3294000       7.474000 0.4826000       8.406000      0.4485000     -0.9320000      0.6588000
  1 1 1     -13   -6   30 f    7.983000      0.4669000       8.768000 0.6577000       7.199000      0.6629000       1.569000      0.9339000
  1 1 1     -13   -6   31 o    11.83000      0.4163000       11.85000 0.6131000       11.81000      0.5634000      0.3980000E-01  0.8326000
  1 1 1     -13   -6   32 o    2.049000      0.6087000       2.168000 0.8895000       1.930000      0.8312000      0.2376000       1.217000
  1 1 1     -13   -6   33 o    3.399000      0.7843000       4.073000 1.101000       2.725000       1.118000       1.348000       1.569000
  1 1 1     -13   -6   34 o    2.410000      0.6518000       2.591000 0.9503000       2.229000      0.8922000      0.3615000       1.304000
  1 1 1     -13   -6   35 o    3.127000      0.6530000       3.368000 0.9170000       2.886000      0.9298000      0.4828000       1.306000
  1 1 1     -13   -5    1 o    10.57000      0.2612000       10.62000 0.3678000       10.52000      0.3710000      0.9941000E-01  0.5224000
  1 1 1     -13   -5    2 o    15.57000      0.2358000       15.66000 0.3356000       15.47000      0.3313000      0.1849000      0.4715000
  1 1 1     -13   -5    3 o    1.924000      0.3854000       1.534000 0.5633000       2.315000      0.5261000     -0.7815000      0.7708000
  1 1 1     -13   -5    4 f    11.10000      0.1975000       11.24000 0.2799000       10.97000      0.2787000      0.2789000      0.3949000
  1 1 1     -13   -5    5 o    7.915000      0.1890000       7.978000 0.2717000       7.851000      0.2627000      0.1277000      0.3779000
  1 1 1     -13   -5    6 o    3.703000      0.2632000       3.936000 0.3507000       3.470000      0.3924000      0.4666000      0.5263000
  1 1 1     -13   -5    7 o    5.616000      0.2148000       5.507000 0.3097000       5.725000      0.2979000     -0.2182000      0.4297000
  1 1 1     -13   -5    8 o    5.019000      0.2373000       5.260000 0.3239000       4.777000      0.3470000      0.4830000      0.4747000
  1 1 1     -13   -5    9 o    7.884000      0.2054000       7.855000 0.2928000       7.914000      0.2882000     -0.5833000E-01  0.4108000
  1 1 1     -13   -5   10 o    9.124000      0.2051000       9.374000 0.2915000       8.873000      0.2887000      0.5006000      0.4103000
  1 1 1     -13   -5   11 o    1.791000      0.4669000       1.583000 0.6433000       1.999000      0.6768000     -0.4159000      0.9338000
  1 1 1     -13   -5   12 o    14.00000      0.2389000       13.58000 0.3333000       14.42000      0.3422000     -0.8349000      0.4777000
  1 1 1     -13   -5   13 o    7.469000      0.2257000       7.226000 0.3193000       7.713000      0.3191000     -0.4868000      0.4515000
  1 1 1     -13   -5   14 o    8.204000      0.3242000       8.444000 0.4663000       7.963000      0.4506000      0.4806000      0.6485000
  1 1 1     -13   -5   15 o    14.84000      0.2515000       15.23000 0.3594000       14.46000      0.3519000      0.7660000      0.5030000
  1 1 1     -13   -5   16 o    10.79000      0.2346000       11.14000 0.3344000       10.45000      0.3291000      0.6834000      0.4692000
  1 1 1     -13   -5   17 o    17.24000      0.3940000       17.31000 0.5541000       17.16000      0.5602000      0.1510000      0.7879000
  1 1 1     -13   -5   18 o    5.041000      0.4876000       5.932000 0.5459000       4.150000      0.8082000       1.782000      0.9753000
  1 1 1     -13   -5   19 o    8.157000      0.2594000       8.070000 0.3716000       8.244000      0.3620000     -0.1737000      0.5188000
  1 1 1     -13   -5   20 o    4.858000      0.4369000       5.361000 0.4811000       4.355000      0.7294000       1.006000      0.8737000
  1 1 1     -13   -5   21 o    7.949000      0.2688000       7.371000 0.3964000       8.526000      0.3633000      -1.156000      0.5377000
  1 1 1     -13   -5   22 o    12.06000      0.3154000       12.87000 0.5188000       11.25000      0.3590000       1.622000      0.6309000
  1 1 1     -13   -5   23 o    4.256000      0.4580000       3.742000 0.7221000       4.770000      0.5636000      -1.028000      0.9160000
  1 1 1     -13   -5   24 o    9.709000      0.2668000       9.957000 0.3783000       9.460000      0.3762000      0.4975000      0.5335000
  1 1 1     -13   -5   25 o    7.719000      0.2939000       7.719000 0.4220000       7.719000      0.4092000     -0.9775000E-04  0.5878000
  1 1 1     -13   -5   26 o    5.047000      0.4222000       4.740000 0.6269000       5.353000      0.5656000     -0.6125000      0.8443000
  1 1 1     -13   -5   27 o    4.224000      0.5064000       3.545000 0.8336000       4.904000      0.5751000      -1.359000       1.013000
  1 1 1     -13   -5   28 o    1.801000      0.5532000       2.127000 0.8554000       1.475000      0.7016000      0.6517000       1.106000
  1 1 1     -13   -5   29 o    8.229000      0.3258000       7.861000 0.4762000       8.598000      0.4449000     -0.7368000      0.6517000
  1 1 1     -13   -5   30 o    3.602000      0.7740000       3.252000 1.156000       3.952000       1.030000     -0.7001000       1.548000
  1 1 1     -13   -5   31 o    3.948000      0.7056000       3.028000 1.120000       4.868000      0.8584000      -1.840000       1.411000
  1 1 1     -13   -5   32 o    2.164000      0.5928000       2.823000 0.9456000       1.506000      0.7154000       1.317000       1.186000
  1 1 1     -13   -5   33 o    2.149000      0.6825000       2.315000 1.002000       1.984000      0.9268000      0.3309000       1.365000
  1 1 1     -13   -5   34 o    1.925000      0.5982000       1.957000 0.8567000       1.893000      0.8351000      0.6443000E-01   1.196000
  1 1 1     -13   -5   35 o    3.812000      0.5997000       3.502000 0.9082000       4.122000      0.7835000     -0.6196000       1.199000
  1 1 1     -13   -4    1 o    9.505000      0.2523000       9.571000 0.3559000       9.440000      0.3578000      0.1310000      0.5047000
  1 1 1     -13   -4    2 o    16.64000      0.2474000       16.81000 0.3534000       16.46000      0.3464000      0.3555000      0.4949000
  1 1 1     -13   -4    3 o    11.64000      0.1981000       11.52000 0.2784000       11.76000      0.2821000     -0.2460000      0.3963000
  1 1 1     -13   -4    4 o    14.72000      0.2295000       14.67000 0.3228000       14.77000      0.3263000     -0.1018000      0.4590000
  1 1 1     -13   -4    5 o    10.05000      0.1930000       10.06000 0.2729000       10.04000      0.2730000      0.1646000E-01  0.3860000
  1 1 1     -13   -4    6 o    4.303000      0.2921000       4.457000 0.4547000       4.149000      0.3668000      0.3076000      0.5842000
  1 1 1     -13   -4    7 o    9.124000      0.1951000       9.043000 0.2769000       9.205000      0.2749000     -0.1621000      0.3902000
  1 1 1     -13   -4    8 o    15.76000      0.2473000       15.60000 0.3474000       15.93000      0.3521000     -0.3347000      0.4947000
  1 1 1     -13   -4    9 o    14.69000      0.2379000       14.74000 0.3371000       14.64000      0.3356000      0.1013000      0.4757000
  1 1 1     -13   -4   10 o    4.624000      0.2612000       4.496000 0.3771000       4.751000      0.3616000     -0.2557000      0.5225000
  1 1 1     -13   -4   11 o    2.943000      0.3984000       3.035000 0.5568000       2.852000      0.5698000      0.1824000      0.7967000
  1 1 1     -13   -4   12 o    8.846000      0.2144000       8.703000 0.3030000       8.989000      0.3035000     -0.2861000      0.4288000
  1 1 1     -13   -4   13 o    4.727000      0.2754000       4.904000 0.3783000       4.550000      0.4004000      0.3539000      0.5509000
  1 1 1     -13   -4   14 f    5.757000      0.3688000       6.295000 0.5080000       5.219000      0.5347000       1.077000      0.7376000
  1 1 1     -13   -4   15 o    7.873000      0.2397000       7.923000 0.3410000       7.823000      0.3370000      0.1001000      0.4794000
  1 1 1     -13   -4   16 o    11.89000      0.2362000       12.17000 0.3362000       11.60000      0.3320000      0.5651000      0.4725000
  1 1 1     -13   -4   17 o    6.841000      0.3597000       6.776000 0.4997000       6.907000      0.5175000     -0.1310000      0.7194000
  1 1 1     -13   -4   18 o    12.56000      0.2519000       12.10000 0.3524000       13.02000      0.3600000     -0.9179000      0.5038000
  1 1 1     -13   -4   19 o    6.059000      0.2887000       5.776000 0.4189000       6.342000      0.3973000     -0.5662000      0.5773000
  1 1 1     -13   -4   20 o    8.665000      0.2569000       8.953000 0.3653000       8.376000      0.3614000      0.5777000      0.5139000
  1 1 1     -13   -4   21 o    10.93000      0.2533000       11.12000 0.3630000       10.75000      0.3533000      0.3691000      0.5065000
  1 1 1     -13   -4   22 o    6.484000      0.3021000       6.516000 0.4273000       6.452000      0.4272000      0.6375000E-01  0.6042000
  1 1 1     -13   -4   23 o    4.375000      0.4089000       3.992000 0.6262000       4.758000      0.5259000     -0.7656000      0.8177000
  1 1 1     -13   -4   24 o    2.408000      0.8284000       2.408000 0.8284000                  ?              ?              ?              ?
  1 1 1     -13   -4   25 o    4.265000      0.4275000       4.467000 0.5728000       4.062000      0.6349000      0.4042000      0.8551000
  1 1 1     -13   -4   26 o    10.90000      0.3844000                  ?       ?   10.90000      0.3844000                  ?              ?
  1 1 1     -13   -4   27 o    9.579000      0.2858000       9.869000 0.4096000       9.288000      0.3985000      0.5808000      0.5715000
  1 1 1     -13   -4   28 o    4.144000      0.5345000       3.595000 0.8441000       4.692000      0.6560000      -1.097000       1.069000
  1 1 1     -13   -4   29 o    5.950000      0.3916000       5.640000 0.5894000       6.260000      0.5156000     -0.6198000      0.7831000
  1 1 1     -13   -4   30 o    9.029000      0.4339000       9.314000 0.6351000       8.744000      0.5913000      0.5702000      0.8677000
  1 1 1     -13   -4   31 o    7.640000      0.3485000       7.600000 0.4943000       7.680000      0.4913000     -0.7980000E-01  0.6969000
  1 1 1     -13   -4   32 o    3.395000      0.5652000       2.200000 0.9017000       4.591000      0.6819000      -2.391000       1.130000
  1 1 1     -13   -4   33 o    3.331000      0.7836000       3.797000 1.089000       2.864000       1.127000      0.9330000       1.567000
  1 1 1     -13   -4   34 o    5.534000      0.4526000       4.945000 0.7163000       6.123000      0.5536000      -1.178000      0.9053000
  1 1 1     -13   -4   35 o    3.354000      0.6195000       2.602000 0.9460000       4.106000      0.8002000      -1.505000       1.239000
  1 1 1     -13   -3    1 o    13.21000      0.2940000       12.92000 0.4081000       13.50000      0.4231000     -0.5825000      0.5879000
  1 1 1     -13   -3    2 o    10.51000      0.1878000       10.62000 0.2670000       10.41000      0.2642000      0.2117000      0.3756000
  1 1 1     -13   -3    3 o    8.599000      0.1814000       8.774000 0.2580000       8.424000      0.2550000      0.3501000      0.3627000
  1 1 1     -13   -3    4 f    12.63000      0.2084000       12.50000 0.2922000       12.77000      0.2974000     -0.2695000      0.4169000
  1 1 1     -13   -3    5 o    8.704000      0.1860000       8.601000 0.2620000       8.808000      0.2641000     -0.2069000      0.3720000
  1 1 1     -13   -3    6 o    4.953000      0.2220000       5.133000 0.3090000       4.772000      0.3190000      0.3609000      0.4441000
  1 1 1     -13   -3    7 o    14.46000      0.2311000       14.37000 0.3265000       14.56000      0.3270000     -0.1874000      0.4621000
  1 1 1     -13   -3    8 o    2.326000      0.4111000       2.738000 0.5405000       1.915000      0.6197000      0.8227000      0.8223000
  1 1 1     -13   -3    9 o    7.810000      0.2063000       7.692000 0.2934000       7.928000      0.2901000     -0.2357000      0.4126000
  1 1 1     -13   -3   10 o    3.157000      0.3729000       3.067000 0.5369000       3.247000      0.5175000     -0.1802000      0.7457000
  1 1 1     -13   -3   11 o    10.46000      0.2153000       10.46000 0.3038000       10.46000      0.3052000     -0.3384000E-02  0.4306000
  1 1 1     -13   -3   12 o    3.526000      0.3608000       3.275000 0.5511000       3.777000      0.4660000     -0.5029000      0.7217000
  1 1 1     -13   -3   13 o    9.209000      0.2190000       9.222000 0.3117000       9.196000      0.3076000      0.2637000E-01  0.4379000
  1 1 1     -13   -3   14 o    4.375000      0.4562000       4.855000 0.5962000       3.896000      0.6907000      0.9599000      0.9124000
  1 1 1     -13   -3   15 o    9.201000      0.2288000       9.495000 0.3251000       8.907000      0.3222000      0.5879000      0.4577000
  1 1 1     -13   -3   16 o    8.181000      0.2413000       8.161000 0.3448000       8.200000      0.3376000     -0.3918000E-01  0.4825000
  1 1 1     -13   -3   17 o    9.596000      0.3407000       10.14000 0.4651000       9.053000      0.4980000       1.085000      0.6815000
  1 1 1     -13   -3   18 o    11.57000      0.3020000       11.73000 0.3456000       11.42000      0.4954000      0.3045000      0.6041000
  1 1 1     -13   -3   19 o    16.42000      0.2761000       16.11000 0.3871000       16.73000      0.3938000     -0.6211000      0.5522000
  1 1 1     -13   -3   20 o    8.064000      0.2549000       8.061000 0.3629000       8.068000      0.3580000     -0.7405000E-02  0.5098000
  1 1 1     -13   -3   21 o    4.273000      0.3870000       4.311000 0.5441000       4.235000      0.5503000      0.7607000E-01  0.7739000
  1 1 1     -13   -3   22 o    4.986000      0.3650000       5.093000 0.5261000       4.879000      0.5062000      0.2142000      0.7300000
  1 1 1     -13   -3   23 o    4.885000      0.3669000       5.048000 0.5288000       4.722000      0.5088000      0.3254000      0.7338000
  1 1 1     -13   -3   24 o    7.380000      0.4235000       7.380000 0.4235000                  ?              ?              ?              ?
  1 1 1     -13   -3   25 o    12.40000      0.2697000       12.75000 0.3839000       12.05000      0.3788000      0.6971000      0.5393000
  1 1 1     -13   -3   26 o    12.00000      0.3838000                  ?       ?   12.00000      0.3838000                  ?              ?
  1 1 1     -13   -3   27 o    4.776000      0.4318000       5.085000 0.5934000       4.467000      0.6275000      0.6181000      0.8636000
  1 1 1     -13   -3   28 o    4.818000      0.4409000       5.023000 0.6064000       4.613000      0.6402000      0.4099000      0.8818000
  1 1 1     -13   -3   29 o    7.879000      0.3346000       8.081000 0.4708000       7.677000      0.4756000      0.4033000      0.6693000
  1 1 1     -13   -3   30 o    7.004000      0.4719000       7.318000 0.6861000       6.690000      0.6482000      0.6289000      0.9439000
  1 1 1     -13   -3   31 o    5.847000      0.4123000       5.516000 0.6117000       6.178000      0.5531000     -0.6629000      0.8246000
  1 1 1     -13   -3   32 o    1.915000      0.5677000       2.110000 0.8419000       1.720000      0.7617000      0.3905000       1.135000
  1 1 1     -13   -3   33 o    4.155000      0.7397000       5.092000 0.9702000       3.217000       1.117000       1.875000       1.479000
  1 1 1     -13   -3   34 o    7.095000      0.3595000       7.340000 0.5016000       6.849000      0.5150000      0.4905000      0.7190000
  1 1 1     -13   -3   35 o    2.918000      0.5955000       3.761000 0.8184000       2.076000      0.8651000       1.685000       1.191000
  1 1 1     -13   -2    1 o    13.65000      0.2134000       13.83000 0.3042000       13.48000      0.2993000      0.3539000      0.4268000
  1 1 1     -13   -2    2 o    7.295000      0.1747000       7.271000 0.2470000       7.319000      0.2471000     -0.4758000E-01  0.3494000
  1 1 1     -13   -2    3 o    20.95000      0.2990000       21.04000 0.4241000       20.87000      0.4215000      0.1681000      0.5980000
  1 1 1     -13   -2    4 o    11.69000      0.2010000       11.56000 0.2819000       11.83000      0.2867000     -0.2699000      0.4021000
  1 1 1     -13   -2    5 o    11.17000      0.1983000       11.04000 0.2779000       11.30000      0.2828000     -0.2579000      0.3965000
  1 1 1     -13   -2    6 o    7.115000      0.1927000       7.266000 0.2713000       6.964000      0.2738000      0.3025000      0.3855000
  1 1 1     -13   -2    7 o    5.256000      0.2212000       5.056000 0.3212000       5.455000      0.3042000     -0.3993000      0.4424000
  1 1 1     -13   -2    8 o    15.27000      0.2421000       15.40000 0.3446000       15.14000      0.3403000      0.2596000      0.4843000
  1 1 1     -13   -2    9 o    7.971000      0.2015000       8.072000 0.2869000       7.871000      0.2830000      0.2009000      0.4030000
  1 1 1     -13   -2   10 o    4.321000      0.2916000       5.106000 0.3526000       3.536000      0.4646000       1.570000      0.5832000
  1 1 1     -13   -2   11 o    3.619000      0.3389000       3.540000 0.4872000       3.697000      0.4714000     -0.1568000      0.6779000
  1 1 1     -13   -2   12 o    4.320000      0.3052000       4.608000 0.4010000       4.033000      0.4602000      0.5753000      0.6104000
  1 1 1     -13   -2   13 o    11.69000      0.3163000       11.32000 0.4478000       12.06000      0.4468000     -0.7398000      0.6326000
  1 1 1     -13   -2   14 o    3.789000      0.5159000       3.296000 0.8317000       4.282000      0.6106000     -0.9861000       1.032000
  1 1 1     -13   -2   15 o    3.753000      0.3652000       3.926000 0.4845000       3.580000      0.5465000      0.3454000      0.7304000
  1 1 1     -13   -2   16 o    7.859000      0.3439000       7.924000 0.4788000       7.795000      0.4938000      0.1294000      0.6879000
  1 1 1     -13   -2   17 o    2.246000      0.6101000       2.028000 0.8476000       2.463000      0.8776000     -0.4358000       1.220000
  1 1 1     -13   -2   18 o    4.308000      0.3565000       4.033000 0.5454000       4.582000      0.4594000     -0.5488000      0.7131000
  1 1 1     -13   -2   19 o    12.66000      0.2513000       12.85000 0.3558000       12.47000      0.3550000      0.3726000      0.5025000
  1 1 1     -13   -2   20 o    7.694000      0.2658000       7.153000 0.3891000       8.235000      0.3623000      -1.082000      0.5317000
  1 1 1     -13   -2   21 o    13.39000      0.2560000       13.51000 0.3646000       13.26000      0.3596000      0.2514000      0.5121000
  1 1 1     -13   -2   22 o    7.138000      0.2831000       7.326000 0.4003000       6.950000      0.4005000      0.3767000      0.5663000
  1 1 1     -13   -2   23 o    9.708000      0.2570000       9.716000 0.3632000       9.699000      0.3638000      0.1644000E-01  0.5141000
  1 1 1     -13   -2   24 o    1.882000      0.5474000       2.000000 0.7963000       1.765000      0.7512000      0.2341000       1.095000
  1 1 1     -13   -2   25 o    3.565000      0.5214000       3.153000 0.7958000       3.977000      0.6739000     -0.8241000       1.043000
  1 1 1     -13   -2   26 o    3.540000      0.5415000       2.961000 0.8625000       4.119000      0.6551000      -1.158000       1.083000
  1 1 1     -13   -2   27 o    6.353000      0.3581000       6.677000 0.5054000       6.029000      0.5075000      0.6476000      0.7162000
  1 1 1     -13   -2   28 o    6.692000      0.3566000       6.623000 0.5202000       6.761000      0.4879000     -0.1381000      0.7132000
  1 1 1     -13   -2   29 o    7.628000      0.4406000       7.896000 0.6280000       7.359000      0.6181000      0.5367000      0.8812000
  1 1 1     -13   -2   30 o    5.090000      0.6751000       4.024000 1.112000       6.157000      0.7660000      -2.132000       1.350000
  1 1 1     -13   -2   31 o    7.904000      0.3234000       7.942000 0.4503000       7.866000      0.4643000      0.7673000E-01  0.6468000
  1 1 1     -13   -2   32 o    7.707000      0.4988000       7.613000 0.7322000       7.802000      0.6777000     -0.1892000      0.9977000
  1 1 1     -13   -2   33 o    1.979000      0.5900000       1.679000 0.7751000       2.279000      0.8896000     -0.5995000       1.180000
  1 1 1     -13   -2   34 o    6.359000      0.3850000       6.401000 0.5447000       6.317000      0.5442000      0.8393000E-01  0.7700000
  1 1 1     -13   -2   35 o    2.588000      0.6207000       3.049000 0.9083000       2.127000      0.8463000      0.9226000       1.241000
  1 1 1     -13   -1    1 f    13.66000      0.2142000       13.54000 0.3019000       13.78000      0.3038000     -0.2433000      0.4283000
  1 1 1     -13   -1    2 o    14.57000      0.2254000       14.63000 0.3197000       14.51000      0.3178000      0.1121000      0.4508000
  1 1 1     -13   -1    3 o    10.86000      0.1917000       10.60000 0.2690000       11.12000      0.2733000     -0.5210000      0.3834000
  1 1 1     -13   -1    4 o    11.98000      0.2022000       11.89000 0.2862000       12.07000      0.2857000     -0.1824000      0.4044000
  1 1 1     -13   -1    5 o    9.423000      0.1902000       9.361000 0.2674000       9.485000      0.2705000     -0.1243000      0.3804000
  1 1 1     -13   -1    6 o    6.279000      0.1966000       6.534000 0.2714000       6.023000      0.2846000      0.5110000      0.3932000
  1 1 1     -13   -1    7 o    10.85000      0.2043000       10.81000 0.2891000       10.90000      0.2887000     -0.9337000E-01  0.4086000
  1 1 1     -13   -1    8 o    13.44000      0.2246000       13.36000 0.3182000       13.52000      0.3171000     -0.1552000      0.4493000
  1 1 1     -13   -1    9 o    9.188000      0.2023000       9.382000 0.2880000       8.993000      0.2843000      0.3887000      0.4047000
  1 1 1     -13   -1   10 o    1.512000      0.4234000       1.840000 0.6517000       1.184000      0.5408000      0.6564000      0.8469000
  1 1 1     -13   -1   11 o    4.454000      0.2828000       4.430000 0.4050000       4.478000      0.3948000     -0.4844000E-01  0.5656000
  1 1 1     -13   -1   12 o    7.196000      0.2279000       6.857000 0.3279000       7.535000      0.3165000     -0.6783000      0.4557000
  1 1 1     -13   -1   13 o    6.600000      0.3392000       6.507000 0.4941000       6.692000      0.4649000     -0.1847000      0.6785000
  1 1 1     -13   -1   14 o    10.67000      0.2246000       10.72000 0.3177000       10.62000      0.3177000      0.1014000      0.4493000
  1 1 1     -13   -1   15 o    4.065000      0.3534000       4.052000 0.5078000       4.078000      0.4916000     -0.2638000E-01  0.7067000
  1 1 1     -13   -1   16 o    8.112000      0.3422000       8.498000 0.4649000       7.726000      0.5024000      0.7721000      0.6845000
  1 1 1     -13   -1   17 o    6.348000      0.2630000       6.455000 0.3687000       6.241000      0.3752000      0.2144000      0.5261000
  1 1 1     -13   -1   18 o    6.150000      0.2747000       6.056000 0.3904000       6.243000      0.3864000     -0.1873000      0.5493000
  1 1 1     -13   -1   19 o    13.28000      0.2527000       12.97000 0.3543000       13.60000      0.3604000     -0.6362000      0.5054000
  1 1 1     -13   -1   20 o    5.911000      0.2928000       5.783000 0.4192000       6.040000      0.4088000     -0.2574000      0.5855000
  1 1 1     -13   -1   21 o    7.017000      0.2812000       7.562000 0.3915000       6.473000      0.4039000       1.088000      0.5625000
  1 1 1     -13   -1   22 o    2.983000      0.5314000       2.969000 0.7542000       2.998000      0.7488000     -0.2864000E-01   1.063000
  1 1 1     -13   -1   23 o    4.646000      0.3852000       4.736000 0.5583000       4.555000      0.5310000      0.1808000      0.7705000
  1 1 1     -13   -1   24 o    11.69000      0.2584000       11.97000 0.3621000       11.41000      0.3686000      0.5537000      0.5167000
  1 1 1     -13   -1   25 f    4.925000      0.3971000       5.065000 0.5525000       4.785000      0.5705000      0.2804000      0.7942000
  1 1 1     -13   -1   26 o    4.545000      0.4388000       4.137000 0.6907000       4.952000      0.5413000     -0.8156000      0.8775000
  1 1 1     -13   -1   27 o    8.389000      0.3088000       8.383000 0.4410000       8.395000      0.4324000     -0.1142000E-01  0.6177000
  1 1 1     -13   -1   28 o    7.956000      0.3153000       8.118000 0.4596000       7.794000      0.4318000      0.3232000      0.6306000
  1 1 1     -13   -1   29 o    3.173000      0.6979000       3.518000 0.9658000       2.828000       1.008000      0.6899000       1.396000
  1 1 1     -13   -1   30 o    3.290000      0.6310000       3.591000 0.8693000       2.990000      0.9148000      0.6006000       1.262000
  1 1 1     -13   -1   31 o    9.288000      0.3009000       9.394000 0.4270000       9.182000      0.4240000      0.2126000      0.6017000
  1 1 1     -13   -1   32 o    8.613000      0.4750000       8.267000 0.7028000       8.959000      0.6393000     -0.6917000      0.9501000
  1 1 1     -13   -1   33 o    2.117000      0.5897000       2.686000 0.9323000       1.548000      0.7222000       1.138000       1.179000
  1 1 1     -13   -1   34 o    3.312000      0.6045000       4.207000 0.7937000       2.416000      0.9121000       1.791000       1.209000
  1 1 1     -13   -1   35 o    2.986000      0.6103000       3.841000 0.8844000       2.131000      0.8413000       1.710000       1.221000
  1 1 1     -13    0    1 o    14.27000      0.2204000       14.10000 0.3089000       14.44000      0.3144000     -0.3385000      0.4407000
  1 1 1     -13    0    2 o    5.615000      0.1863000       5.611000 0.2607000       5.620000      0.2663000     -0.9447000E-02  0.3727000
  1 1 1     -13    0    3 o    13.21000      0.2130000       13.25000 0.3023000       13.18000      0.3000000      0.7280000E-01  0.4259000
  1 1 1     -13    0    4 o    16.46000      0.2481000       16.48000 0.3510000       16.43000      0.3507000      0.4979000E-01  0.4962000
  1 1 1     -13    0    5 o    8.822000      0.1872000       8.846000 0.2645000       8.798000      0.2650000      0.4806000E-01  0.3744000
  1 1 1     -13    0    6 o    3.163000      0.2877000       3.150000 0.4045000       3.177000      0.4093000     -0.2705000E-01  0.5755000
  1 1 1     -13    0    7 o    3.710000      0.2843000       3.488000 0.4335000       3.932000      0.3679000     -0.4436000      0.5686000
  1 1 1     -13    0    8 o    6.173000      0.2042000       6.210000 0.2893000       6.135000      0.2882000      0.7501000E-01  0.4083000
  1 1 1     -13    0    9 o    5.835000      0.2165000       5.822000 0.3085000       5.848000      0.3037000     -0.2531000E-01  0.4330000
  1 1 1     -13    0   10 f    9.824000      0.2090000       9.961000 0.2974000       9.687000      0.2938000      0.2738000      0.4180000
  1 1 1     -13    0   11 o    5.507000      0.2529000       5.644000 0.3474000       5.371000      0.3676000      0.2730000      0.5057000
  1 1 1     -13    0   12 o    6.388000      0.3121000       6.324000 0.4613000       6.452000      0.4205000     -0.1281000      0.6242000
  1 1 1     -13    0   13 f    7.120000      0.3168000       6.556000 0.4745000       7.683000      0.4198000      -1.127000      0.6335000
  1 1 1     -13    0   14 o    7.331000      0.2383000       7.258000 0.3350000       7.404000      0.3390000     -0.1456000      0.4766000
  1 1 1     -13    0   15 o    6.600000      0.3454000       6.167000 0.5018000       7.032000      0.4747000     -0.8657000      0.6908000
  1 1 1     -13    0   16 f    2.024000      0.5738000       2.004000 0.8100000       2.043000      0.8131000     -0.3852000E-01   1.148000
  1 1 1     -13    0   17 o    5.028000      0.3258000       4.675000 0.4898000       5.381000      0.4299000     -0.7063000      0.6517000
  1 1 1     -13    0   18 o    6.613000      0.2745000       6.323000 0.3955000       6.902000      0.3807000     -0.5793000      0.5490000
  1 1 1     -13    0   19 o    4.441000      0.3779000       5.119000 0.4618000       3.762000      0.5982000       1.357000      0.7557000
  1 1 1     -13    0   20 f    6.387000      0.2795000       6.472000 0.3833000       6.302000      0.4069000      0.1694000      0.5590000
  1 1 1     -13    0   21 o    8.870000      0.2522000       8.990000 0.3630000       8.750000      0.3501000      0.2405000      0.5043000
  1 1 1     -13    0   22 o    3.958000      0.4252000       3.918000 0.6021000       3.997000      0.6005000     -0.7957000E-01  0.8504000
  1 1 1     -13    0   23 o    2.047000      0.5425000       1.733000 0.7412000       2.362000      0.7923000     -0.6292000       1.085000
  1 1 1     -13    0   24 o    14.36000      0.2677000       14.43000 0.3791000       14.30000      0.3782000      0.1307000      0.5354000
  1 1 1     -13    0   25 f    6.334000      0.3639000       6.250000 0.4752000       6.417000      0.5513000     -0.1667000      0.7279000
  1 1 1     -13    0   26 o    2.393000      0.5159000       1.520000 0.6955000       3.266000      0.7621000      -1.746000       1.032000
  1 1 1     -13    0   27 o    2.967000      0.5991000       2.857000 0.8587000       3.078000      0.8355000     -0.2212000       1.198000
  1 1 1     -13    0   28 o    4.366000      0.6295000       3.181000 1.013000       5.552000      0.7471000      -2.371000       1.259000
  1 1 1     -13    0   29 o    4.778000      0.6172000       5.089000 0.8705000       4.466000      0.8751000      0.6231000       1.234000
  1 1 1     -13    0   30 o    6.393000      0.3712000       6.852000 0.5033000       5.933000      0.5459000      0.9195000      0.7425000
  1 1 1     -13    0   31 o    8.154000      0.4671000       8.317000 0.6262000       7.991000      0.6933000      0.3261000      0.9342000
  1 1 1     -13    0   32 o    3.625000      0.6708000       4.226000 0.7643000       3.025000       1.103000       1.202000       1.342000
  1 1 1     -13    0   33 o    3.147000      0.6474000       3.522000 0.9204000       2.772000      0.9107000      0.7502000       1.295000
  1 1 1     -13    0   34 o    1.775000      0.5579000       1.422000 0.6892000       2.129000      0.8775000     -0.7066000       1.116000
  1 1 1     -13    0   35 o    6.470000      0.3637000       6.700000 0.5175000       6.240000      0.5113000      0.4601000      0.7274000
  1 1 1     -13    1    1 o    7.850000      0.1747000       7.831000 0.2498000       7.869000      0.2444000     -0.3821000E-01  0.3495000
  1 1 1     -13    1    2 o    11.09000      0.1933000       11.14000 0.2749000       11.05000      0.2717000      0.8717000E-01  0.3865000
  1 1 1     -13    1    3 o    14.17000      0.2234000       14.26000 0.3176000       14.09000      0.3141000      0.1711000      0.4467000
  1 1 1     -13    1    4 o    17.35000      0.2586000       17.15000 0.3627000       17.55000      0.3688000     -0.3983000      0.5173000
  1 1 1     -13    1    5 o    1.788000      0.4125000       1.873000 0.5864000       1.702000      0.5802000      0.1709000      0.8249000
  1 1 1     -13    1    6 o    7.302000      0.1935000       7.367000 0.2745000       7.237000      0.2728000      0.1300000      0.3870000
  1 1 1     -13    1    7 o    13.24000      0.2213000       13.38000 0.3146000       13.11000      0.3114000      0.2649000      0.4426000
  1 1 1     -13    1    8 o    18.27000      0.2741000       18.53000 0.3920000       18.02000      0.3832000      0.5045000      0.5482000
  1 1 1     -13    1    9 f    10.46000      0.2067000       10.37000 0.2920000       10.55000      0.2925000     -0.1773000      0.4134000
  1 1 1     -13    1   10 o    9.356000      0.2080000       9.199000 0.2922000       9.512000      0.2959000     -0.3131000      0.4159000
  1 1 1     -13    1   11 o    9.430000      0.2874000       9.529000 0.4120000       9.331000      0.4007000      0.1983000      0.5747000
  1 1 1     -13    1   12 o    3.876000      0.4628000       4.062000 0.6448000       3.689000      0.6639000      0.3728000      0.9255000
  1 1 1     -13    1   13 o    1.817000      0.4536000       1.463000 0.6251000       2.171000      0.6575000     -0.7087000      0.9072000
  1 1 1     -13    1   14 o    8.887000      0.2262000       8.967000 0.3223000       8.808000      0.3175000      0.1589000      0.4524000
  1 1 1     -13    1   15 o    2.091000      0.5737000       1.910000 0.7791000       2.273000      0.8425000     -0.3638000       1.147000
  1 1 1     -13    1   16 f    5.546000      0.2781000       5.319000 0.4032000       5.772000      0.3831000     -0.4530000      0.5562000
  1 1 1     -13    1   17 o    6.611000      0.2507000       6.452000 0.3630000       6.770000      0.3458000     -0.3176000      0.5013000
  1 1 1     -13    1   18 o    4.236000      0.3656000       5.030000 0.4402000       3.441000      0.5839000       1.589000      0.7313000
  1 1 1     -13    1   19 f    7.195000      0.2591000       7.732000 0.3584000       6.658000      0.3741000       1.074000      0.5181000
  1 1 1     -13    1   20 o    6.776000      0.2704000       7.059000 0.3854000       6.493000      0.3793000      0.5655000      0.5408000
  1 1 1     -13    1   21 o    3.888000      0.4075000       4.333000 0.5033000       3.442000      0.6409000      0.8917000      0.8149000
  1 1 1     -13    1   22 o    11.54000      0.2509000       11.74000 0.3592000       11.35000      0.3505000      0.3925000      0.5019000
  1 1 1     -13    1   23 o    6.772000      0.2825000       7.009000 0.3916000       6.535000      0.4074000      0.4738000      0.5650000
  1 1 1     -13    1   24 o    6.301000      0.3197000       6.084000 0.4590000       6.518000      0.4450000     -0.4348000      0.6394000
  1 1 1     -13    1   25 o    9.066000      0.3971000       9.066000 0.3971000                  ?              ?              ?              ?
  1 1 1     -13    1   26 o    1.514000      0.4822000       1.754000 0.7472000       1.274000      0.6099000      0.4798000      0.9645000
  1 1 1     -13    1   27 o    4.103000      0.7278000                  ?       ?   4.103000      0.7278000                  ?              ?
  1 1 1     -13    1   28 o    3.345000      0.7360000       3.448000 1.073000       3.241000       1.008000      0.2069000       1.472000
  1 1 1     -13    1   29 o    7.444000      0.3326000       7.399000 0.4826000       7.488000      0.4580000     -0.8887000E-01  0.6653000
  1 1 1     -13    1   30 o    7.463000      0.3226000       7.434000 0.4690000       7.491000      0.4432000     -0.5725000E-01  0.6453000
  1 1 1     -13    1   31 o    4.566000      0.7230000       4.557000 0.9657000       4.575000       1.076000     -0.1815000E-01   1.446000
  1 1 1     -13    1   32 o    5.444000      0.4445000       5.752000 0.6368000       5.136000      0.6203000      0.6159000      0.8890000
  1 1 1     -13    1   33 o    4.395000      0.5253000       4.690000 0.7127000       4.101000      0.7720000      0.5882000       1.051000
  1 1 1     -13    1   34 o    2.781000      0.6317000       3.173000 0.8731000       2.389000      0.9130000      0.7842000       1.263000
  1 1 1     -13    1   35 o    2.706000      0.6604000       2.832000 0.9519000       2.581000      0.9157000      0.2507000       1.321000
  1 1 1     -13    2    1 f    5.679000      0.1949000       5.228000 0.2738000       6.130000      0.2774000     -0.9016000      0.3898000
  1 1 1     -13    2    2 o    9.027000      0.1852000       8.861000 0.2530000       9.193000      0.2705000     -0.3320000      0.3704000
  1 1 1     -13    2    3 o    14.19000      0.2267000       14.27000 0.3192000       14.10000      0.3219000      0.1670000      0.4534000
  1 1 1     -13    2    4 f    4.780000      0.2224000       4.725000 0.2991000       4.835000      0.3291000     -0.1091000      0.4447000
  1 1 1     -13    2    5 o    8.496000      0.2390000       8.679000 0.2721000       8.314000      0.3931000      0.3656000      0.4781000
  1 1 1     -13    2    6 o    9.360000      0.1929000       9.274000 0.2739000       9.447000      0.2717000     -0.1725000      0.3858000
  1 1 1     -13    2    7 o    9.038000      0.1966000       8.964000 0.2793000       9.111000      0.2768000     -0.1471000      0.3932000
  1 1 1     -13    2    8 o    15.75000      0.2484000       15.76000 0.3512000       15.74000      0.3515000      0.1192000E-01  0.4969000
  1 1 1     -13    2    9 o    6.012000      0.2136000       5.830000 0.3041000       6.194000      0.3002000     -0.3642000      0.4273000
  1 1 1     -13    2   10 o    4.076000      0.2752000       4.181000 0.3823000       3.971000      0.3961000      0.2099000      0.5505000
  1 1 1     -13    2   11 o    3.013000      0.5201000       3.121000 0.7542000       2.905000      0.7165000      0.2151000       1.040000
  1 1 1     -13    2   12 o    1.551000      0.4505000       1.453000 0.6254000       1.648000      0.6486000     -0.1947000      0.9010000
  1 1 1     -13    2   13 o    6.601000      0.2345000       6.742000 0.3347000       6.460000      0.3285000      0.2823000      0.4690000
  1 1 1     -13    2   14 o    6.938000      0.3231000       6.727000 0.4492000       7.149000      0.4645000     -0.4220000      0.6462000
  1 1 1     -13    2   15 o    4.828000      0.2815000       4.773000 0.4090000       4.884000      0.3869000     -0.1102000      0.5630000
  1 1 1     -13    2   16 o    14.11000      0.2497000       13.97000 0.3503000       14.26000      0.3559000     -0.2936000      0.4993000
  1 1 1     -13    2   17 o    13.11000      0.2456000       13.19000 0.3479000       13.03000      0.3466000      0.1615000      0.4911000
  1 1 1     -13    2   18 o    1.799000      0.4873000       1.496000 0.6536000       2.102000      0.7228000     -0.6062000      0.9745000
  1 1 1     -13    2   19 o    9.032000      0.2417000       9.124000 0.3451000       8.940000      0.3384000      0.1843000      0.4834000
  1 1 1     -13    2   20 o    7.037000      0.2709000       6.876000 0.3900000       7.198000      0.3762000     -0.3220000      0.5418000
  1 1 1     -13    2   21 f    6.260000      0.2932000       6.608000 0.4103000       5.913000      0.4189000      0.6945000      0.5864000
  1 1 1     -13    2   22 o    5.158000      0.3502000       5.493000 0.4752000       4.824000      0.5144000      0.6692000      0.7003000
  1 1 1     -13    2   23 o    2.882000      0.5429000       2.407000 0.8138000       3.358000      0.7187000     -0.9507000       1.086000
  1 1 1     -13    2   24 o    3.674000      0.5068000       3.186000 0.7877000       4.162000      0.6380000     -0.9759000       1.014000
  1 1 1     -13    2   25 f    3.977000      0.6049000       4.906000 0.5729000       3.048000       1.065000       1.858000       1.210000
  1 1 1     -13    2   26 o    4.270000      0.4811000       3.559000 0.7824000       4.981000      0.5600000      -1.422000      0.9621000
  1 1 1     -13    2   28 o    7.615000      0.4394000       7.225000 0.6665000       8.004000      0.5727000     -0.7785000      0.8788000
  1 1 1     -13    2   29 o    4.595000      0.4939000       4.033000 0.7849000       5.156000      0.5998000      -1.122000      0.9879000
  1 1 1     -13    2   30 o    7.260000      0.5222000       7.726000 0.6706000       6.793000      0.8007000      0.9326000       1.044000
  1 1 1     -13    2   31 o    1.606000      0.5204000       1.532000 0.7180000       1.679000      0.7535000     -0.1474000       1.041000
  1 1 1     -13    2   32 o    7.800000      0.3274000       8.031000 0.4641000       7.568000      0.4621000      0.4633000      0.6549000
  1 1 1     -13    2   33 o    2.473000      0.6283000       2.495000 0.8984000       2.452000      0.8786000      0.4343000E-01   1.257000
  1 1 1     -13    2   34 o    2.107000      0.5910000       2.534000 0.9172000       1.681000      0.7456000      0.8533000       1.182000
  1 1 1     -13    3    1 o    4.411000      0.2193000       4.605000 0.3008000       4.216000      0.3191000      0.3891000      0.4385000
  1 1 1     -13    3    2 o    11.94000      0.2051000       11.76000 0.2826000       12.13000      0.2973000     -0.3717000      0.4102000
  1 1 1     -13    3    3 o    10.28000      0.1970000       10.04000 0.2712000       10.53000      0.2859000     -0.4929000      0.3940000
  1 1 1     -13    3    4 o    11.48000      0.2065000       11.71000 0.2895000       11.24000      0.2946000      0.4695000      0.4130000
  1 1 1     -13    3    5 o    4.574000      0.2336000       4.475000 0.3129000       4.673000      0.3470000     -0.1983000      0.4672000
  1 1 1     -13    3    6 o    4.716000      0.2569000       5.233000 0.3066000       4.199000      0.4122000       1.034000      0.5137000
  1 1 1     -13    3    7 o    1.997000      0.4334000       2.324000 0.5778000       1.670000      0.6462000      0.6536000      0.8669000
  1 1 1     -13    3    8 o    5.637000      0.2412000       5.692000 0.3206000       5.582000      0.3604000      0.1098000      0.4824000
  1 1 1     -13    3    9 o    4.152000      0.3094000       4.500000 0.3661000       3.803000      0.4988000      0.6975000      0.6188000
  1 1 1     -13    3   10 o    6.685000      0.3382000       6.795000 0.4509000       6.575000      0.5042000      0.2207000      0.6764000
  1 1 1     -13    3   11 o    7.915000      0.2725000       7.990000 0.3031000       7.840000      0.4530000      0.1502000      0.5451000
  1 1 1     -13    3   12 o    3.801000      0.3286000       4.316000 0.4212000       3.285000      0.5045000       1.031000      0.6572000
  1 1 1     -13    3   13 o    4.367000      0.4556000       3.936000 0.6851000       4.799000      0.6009000     -0.8632000      0.9113000
  1 1 1     -13    3   14 o    4.483000      0.3166000       4.953000 0.4124000       4.014000      0.4805000      0.9394000      0.6332000
  1 1 1     -13    3   15 o    5.733000      0.2598000       5.763000 0.3686000       5.703000      0.3660000      0.6033000E-01  0.5195000
  1 1 1     -13    3   16 o    7.367000      0.2359000       7.693000 0.3336000       7.042000      0.3335000      0.6502000      0.4717000
  1 1 1     -13    3   17 o    1.366000      0.4356000       1.359000 0.6159000       1.373000      0.6161000     -0.1394000E-01  0.8711000
  1 1 1     -13    3   18 o    12.15000      0.2436000       12.35000 0.3461000       11.95000      0.3430000      0.3965000      0.4873000
  1 1 1     -13    3   19 o    5.940000      0.2845000       5.758000 0.4161000       6.121000      0.3880000     -0.3624000      0.5690000
  1 1 1     -13    3   20 o    11.35000      0.2402000       11.65000 0.3406000       11.06000      0.3387000      0.5904000      0.4804000
  1 1 1     -13    3   21 o    6.233000      0.2835000       6.346000 0.3935000       6.119000      0.4084000      0.2267000      0.5671000
  1 1 1     -13    3   22 o    9.108000      0.2511000       9.149000 0.3559000       9.068000      0.3542000      0.8083000E-01  0.5022000
  1 1 1     -13    3   23 o    3.711000      0.4372000       3.332000 0.6704000       4.090000      0.5613000     -0.7586000      0.8744000
  1 1 1     -13    3   24 o    9.299000      0.2577000       9.368000 0.3641000       9.230000      0.3649000      0.1381000      0.5154000
  1 1 1     -13    3   25 o    3.144000      0.5113000       3.837000 0.6504000       2.450000      0.7892000       1.387000       1.023000
  1 1 1     -13    3   26 o    4.046000      0.4226000       4.113000 0.6113000       3.979000      0.5838000      0.1336000      0.8453000
  1 1 1     -13    3   27 o    4.912000      0.5310000       5.293000 0.7813000       4.531000      0.7193000      0.7617000       1.062000
  1 1 1     -13    3   28 o    2.495000      0.6025000       2.189000 0.8669000       2.802000      0.8370000     -0.6135000       1.205000
  1 1 1     -13    3   29 o    4.995000      0.7235000       4.997000 1.007000       4.994000       1.039000      0.3251000E-02   1.447000
  1 1 1     -13    3   30 o    9.016000      0.4759000       9.325000 0.6338000       8.708000      0.7101000      0.6173000      0.9518000
  1 1 1     -13    3   31 o    1.886000      0.5702000       2.238000 0.8886000       1.533000      0.7149000      0.7050000       1.140000
  1 1 1     -13    3   32 o    2.372000      0.5748000       1.689000 0.7622000       3.055000      0.8606000      -1.366000       1.150000
  1 1 1     -13    3   33 o    4.846000      0.4805000       4.793000 0.7029000       4.900000      0.6553000     -0.1064000      0.9609000
  1 1 1     -13    3   34 o    2.756000      0.5788000       3.776000 0.8558000       1.736000      0.7795000       2.040000       1.158000
  1 1 1     -13    4    1 o    6.138000      0.2014000       6.211000 0.2867000       6.066000      0.2828000      0.1457000      0.4027000
  1 1 1     -13    4    2 o    3.972000      0.2738000       3.526000 0.4178000       4.418000      0.3541000     -0.8918000      0.5477000
  1 1 1     -13    4    3 o    5.456000      0.2496000       5.193000 0.3972000       5.719000      0.3023000     -0.5263000      0.4992000
  1 1 1     -13    4    4 o    14.04000      0.2292000       14.35000 0.3233000       13.74000      0.3250000      0.6065000      0.4584000
  1 1 1     -13    4    5 o    6.027000      0.2120000       6.092000 0.2836000       5.963000      0.3152000      0.1293000      0.4240000
  1 1 1     -13    4    6 o    7.986000      0.2061000       8.123000 0.2805000       7.850000      0.3020000      0.2726000      0.4122000
  1 1 1     -13    4    7 o    9.801000      0.2079000       9.644000 0.2832000       9.959000      0.3045000     -0.3147000      0.4159000
  1 1 1     -13    4    8 o    3.799000      0.3128000       3.857000 0.3869000       3.741000      0.4917000      0.1163000      0.6257000
  1 1 1     -13    4    9 o    3.677000      0.5144000       3.024000 0.7437000       4.331000      0.7110000      -1.307000       1.029000
  1 1 1     -13    4   10 f    8.073000      0.2234000       8.349000 0.2926000       7.798000      0.3375000      0.5506000      0.4467000
  1 1 1     -13    4   11 o    5.071000      0.2794000       5.036000 0.3659000       5.106000      0.4223000     -0.7035000E-01  0.5587000
  1 1 1     -13    4   12 o    6.687000      0.3273000       6.316000 0.4496000       7.058000      0.4759000     -0.7422000      0.6547000
  1 1 1     -13    4   13 o    3.448000      0.5054000       3.530000 0.5698000       3.366000      0.8349000      0.1643000       1.011000
  1 1 1     -13    4   14 o    2.447000      0.4626000       3.151000 0.5957000       1.743000      0.7078000       1.408000      0.9251000
  1 1 1     -13    4   15 o    14.50000      0.2556000       14.19000 0.3487000       14.81000      0.3737000     -0.6291000      0.5111000
  1 1 1     -13    4   16 o    10.37000      0.2411000       10.56000 0.3310000       10.18000      0.3506000      0.3812000      0.4822000
  1 1 1     -13    4   17 o    18.26000      0.2937000       18.28000 0.4085000       18.25000      0.4222000      0.2267000E-01  0.5874000
  1 1 1     -13    4   18 o    12.88000      0.2505000       13.40000 0.3485000       12.37000      0.3598000       1.029000      0.5009000
  1 1 1     -13    4   19 o    9.635000      0.2477000       9.739000 0.3385000       9.532000      0.3616000      0.2073000      0.4953000
  1 1 1     -13    4   20 o    2.856000      0.5198000       3.595000 0.6456000       2.116000      0.8148000       1.480000       1.040000
  1 1 1     -13    4   21 o    2.345000      0.5986000       2.372000 0.7596000       2.317000      0.9254000      0.5513000E-01   1.197000
  1 1 1     -13    4   22 o    3.658000      0.4297000       4.129000 0.5457000       3.186000      0.6639000      0.9423000      0.8594000
  1 1 1     -13    4   23 o    3.723000      0.4378000       4.147000 0.5750000       3.300000      0.6604000      0.8464000      0.8756000
  1 1 1     -13    4   24 o    4.704000      0.4145000       3.904000 0.6824000       5.504000      0.4709000      -1.600000      0.8291000
  1 1 1     -13    4   25 o    3.895000      0.4532000       4.015000 0.6142000       3.776000      0.6665000      0.2398000      0.9064000
  1 1 1     -13    4   26 o    4.411000      0.5341000       5.212000 0.6715000       3.609000      0.8309000       1.603000       1.068000
  1 1 1     -13    4   27 o    6.278000      0.3516000       6.684000 0.4886000       5.872000      0.5058000      0.8116000      0.7033000
  1 1 1     -13    4   28 o    5.424000      0.4083000       5.298000 0.6010000       5.549000      0.5528000     -0.2511000      0.8165000
  1 1 1     -13    4   29 o    3.090000      0.7761000       2.394000 1.026000       3.785000       1.164000      -1.391000       1.552000
  1 1 1     -13    4   30 o    7.849000      0.3151000       7.901000 0.4557000       7.798000      0.4354000      0.1035000      0.6303000
  1 1 1     -13    4   31 o    2.153000      0.5799000       1.925000 0.8030000       2.380000      0.8368000     -0.4551000       1.160000
  1 1 1     -13    4   32 o    4.069000      0.4871000       4.146000 0.7235000       3.993000      0.6525000      0.1532000      0.9742000
  1 1 1     -13    4   33 o    1.997000      0.5731000       1.951000 0.8126000       2.043000      0.8084000     -0.9188000E-01   1.146000
  1 1 1     -13    4   34 o    2.404000      0.5961000       3.023000 0.9037000       1.785000      0.7778000       1.238000       1.192000
  1 1 1     -13    5    1 o    3.166000      0.3212000       3.103000 0.4631000       3.228000      0.4452000     -0.1249000      0.6423000
  1 1 1     -13    5    2 o    12.40000      0.2156000       12.56000 0.3069000       12.24000      0.3027000      0.3110000      0.4311000
  1 1 1     -13    5    3 o    3.053000      0.3697000       3.587000 0.4330000       2.518000      0.5994000       1.068000      0.7394000
  1 1 1     -13    5    4 o    1.587000      0.4443000       1.498000 0.6167000       1.676000      0.6397000     -0.1784000      0.8886000
  1 1 1     -13    5    5 o    7.288000      0.2181000       7.340000 0.3107000       7.237000      0.3061000      0.1033000      0.4361000
  1 1 1     -13    5    6 o    7.278000      0.2231000       6.850000 0.3290000       7.707000      0.3015000     -0.8570000      0.4462000
  1 1 1     -13    5    7 o    9.013000      0.3039000       9.411000 0.4015000       8.616000      0.4562000      0.7948000      0.6077000
  1 1 1     -13    5    8 o    10.53000      0.3141000       10.07000 0.4226000       10.99000      0.4648000     -0.9198000      0.6282000
  1 1 1     -13    5    9 o    3.144000      0.4004000       2.075000 0.6526000       4.212000      0.4640000      -2.137000      0.8008000
  1 1 1     -13    5   10 o    1.578000      0.4411000       1.218000 0.5409000       1.937000      0.6968000     -0.7195000      0.8821000
  1 1 1     -13    5   11 o    5.812000      0.3578000       6.301000 0.4387000       5.324000      0.5652000      0.9770000      0.7155000
  1 1 1     -13    5   12 o    4.687000      0.3195000       4.262000 0.4498000       5.111000      0.4540000     -0.8481000      0.6391000
  1 1 1     -13    5   13 o    6.334000      0.2731000       6.687000 0.3379000       5.981000      0.4292000      0.7055000      0.5463000
  1 1 1     -13    5   14 o    2.673000      0.4832000       2.869000 0.6173000       2.477000      0.7437000      0.3923000      0.9665000
  1 1 1     -13    5   15 o    10.77000      0.2893000       11.45000 0.3301000       10.08000      0.4752000       1.367000      0.5786000
  1 1 1     -13    5   16 o    7.570000      0.3006000       7.166000 0.3274000       7.974000      0.5043000     -0.8078000      0.6012000
  1 1 1     -13    5   17 o    17.10000      0.2834000       17.11000 0.3945000       17.08000      0.4070000      0.3011000E-01  0.5668000
  1 1 1     -13    5   18 o    4.908000      0.3359000       4.599000 0.4696000       5.216000      0.4804000     -0.6167000      0.6718000
  1 1 1     -13    5   19 o    11.16000      0.2523000       11.54000 0.3451000       10.78000      0.3681000      0.7615000      0.5046000
  1 1 1     -13    5   20 o    4.218000      0.3935000       4.081000 0.5330000       4.354000      0.5789000     -0.2725000      0.7870000
  1 1 1     -13    5   21 o    7.515000      0.2949000       7.239000 0.3985000       7.792000      0.4349000     -0.5527000      0.5899000
  1 1 1     -13    5   22 o    6.580000      0.3039000       6.908000 0.3777000       6.252000      0.4761000      0.6563000      0.6077000
  1 1 1     -13    5   23 o    5.010000      0.3794000       4.388000 0.5227000       5.632000      0.5502000      -1.244000      0.7589000
  1 1 1     -13    5   24 f    2.435000      0.5487000       3.169000 0.7795000       1.701000      0.7726000       1.468000       1.097000
  1 1 1     -13    5   25 o    2.146000      0.6529000       2.369000 0.9440000       1.922000      0.9021000      0.4472000       1.306000
  1 1 1     -13    5   26 o    5.515000      0.5136000       5.515000 0.5136000                  ?              ?              ?              ?
  1 1 1     -13    5   27 o    3.551000      0.6125000       2.700000 0.8831000       4.402000      0.8488000      -1.702000       1.225000
  1 1 1     -13    5   28 o    4.281000      0.6744000       5.019000 0.8008000       3.542000       1.085000       1.477000       1.349000
  1 1 1     -13    5   29 o    2.646000      0.6187000       3.144000 0.8484000       2.147000      0.9009000      0.9963000       1.237000
  1 1 1     -13    5   30 o    6.589000      0.3998000       7.097000 0.4834000       6.081000      0.6369000       1.015000      0.7995000
  1 1 1     -13    5   31 o    2.278000      0.6123000       1.742000 0.7785000       2.815000      0.9453000      -1.073000       1.225000
  1 1 1     -13    5   32 o    3.160000      0.5854000       4.228000 0.8102000       2.092000      0.8450000       2.136000       1.171000
  1 1 1     -13    5   33 o    2.588000      0.6354000       2.985000 0.9354000       2.190000      0.8602000      0.7949000       1.271000
  1 1 1     -13    6    1 o    7.051000      0.1968000       6.872000 0.2870000       7.230000      0.2694000     -0.3581000      0.3936000
  1 1 1     -13    6    2 o    3.371000      0.3123000       3.331000 0.4457000       3.411000      0.4376000     -0.7927000E-01  0.6246000
  1 1 1     -13    6    3 o    3.960000      0.2956000       3.544000 0.4493000       4.376000      0.3843000     -0.8325000      0.5913000
  1 1 1     -13    6    4 o    10.64000      0.2121000       10.75000 0.3014000       10.53000      0.2986000      0.2228000      0.4243000
  1 1 1     -13    6    5 o    1.202000      0.3910000       1.178000 0.5435000       1.227000      0.5623000     -0.4857000E-01  0.7820000
  1 1 1     -13    6    6 o    5.999000      0.3379000       6.196000 0.4280000       5.803000      0.5231000      0.3926000      0.6759000
  1 1 1     -13    6    7 o    2.457000      0.5272000       1.613000 0.6958000       3.301000      0.7923000      -1.688000       1.054000
  1 1 1     -13    6    8 o    7.325000      0.2298000       7.515000 0.3243000       7.134000      0.3257000      0.3804000      0.4596000
  1 1 1     -13    6    9 o    2.971000      0.5280000       3.411000 0.7680000       2.531000      0.7246000      0.8803000       1.056000
  1 1 1     -13    6   10 o    7.565000      0.3114000       7.853000 0.4334000       7.277000      0.4473000      0.5765000      0.6228000
  1 1 1     -13    6   11 o    3.872000      0.3370000       3.705000 0.4429000       4.039000      0.5082000     -0.3342000      0.6741000
  1 1 1     -13    6   12 o    6.470000      0.2674000       6.709000 0.3450000       6.231000      0.4086000      0.4777000      0.5347000
  1 1 1     -13    6   13 o    2.472000      0.5028000       2.048000 0.7067000       2.896000      0.7154000     -0.8487000       1.006000
  1 1 1     -13    6   14 o    2.356000      0.5129000       2.416000 0.7041000       2.296000      0.7460000      0.1203000       1.026000
  1 1 1     -13    6   15 o    5.035000      0.3205000       5.595000 0.3974000       4.475000      0.5028000       1.119000      0.6410000
  1 1 1     -13    6   16 o    6.434000      0.2663000       6.376000 0.3449000       6.491000      0.4059000     -0.1149000      0.5327000
  1 1 1     -13    6   17 o    2.985000      0.4990000       2.624000 0.7111000       3.346000      0.7002000     -0.7211000      0.9980000
  1 1 1     -13    6   18 o    12.77000      0.2554000       12.98000 0.3519000       12.56000      0.3701000      0.4172000      0.5107000
  1 1 1     -13    6   19 o    5.242000      0.3303000       5.348000 0.4184000       5.135000      0.5111000      0.2126000      0.6605000
  1 1 1     -13    6   20 o    4.106000      0.4509000       4.941000 0.4649000       3.270000      0.7727000       1.670000      0.9018000
  1 1 1     -13    6   21 o    2.198000      0.5564000       2.398000 0.7600000       1.998000      0.8130000      0.3992000       1.113000
  1 1 1     -13    6   22 o    3.213000      0.5445000       2.704000 0.7924000       3.722000      0.7469000      -1.018000       1.089000
  1 1 1     -13    6   23 f    6.530000      0.3298000       6.774000 0.4081000       6.285000      0.5183000      0.4886000      0.6597000
  1 1 1     -13    6   24 o    3.537000      0.7410000       3.653000 0.9322000       3.421000       1.152000      0.2320000       1.482000
  1 1 1     -13    6   25 o    3.961000      0.5454000       3.835000 0.7759000       4.086000      0.7667000     -0.2514000       1.091000
  1 1 1     -13    6   26 o    3.987000      0.6384000       3.987000 0.6384000                  ?              ?              ?              ?
  1 1 1     -13    6   27 o    6.707000      0.5123000       6.773000 0.7102000       6.641000      0.7386000      0.1320000       1.025000
  1 1 1     -13    6   28 o    2.667000       1.005000                  ?       ?   2.667000       1.005000                  ?              ?
  1 1 1     -13    6   29 o    2.696000      0.6750000       2.599000 0.9117000       2.793000      0.9956000     -0.1935000       1.350000
  1 1 1     -13    6   30 o    4.680000      0.5394000       4.276000 0.7747000       5.084000      0.7507000     -0.8079000       1.079000
  1 1 1     -13    6   31 o    2.135000      0.6062000       2.280000 0.8578000       1.989000      0.8566000      0.2909000       1.212000
  1 1 1     -13    6   32 f    3.450000      0.6014000       3.930000 0.8279000       2.971000      0.8727000      0.9589000       1.203000
  1 1 1     -13    6   33 o    2.960000      0.6328000       3.327000 0.9078000       2.593000      0.8817000      0.7335000       1.266000
  1 1 1     -13    7    1 o    5.940000      0.2110000       6.085000 0.2965000       5.796000      0.3004000      0.2891000      0.4221000
  1 1 1     -13    7    2 o    7.604000      0.2016000       7.829000 0.2839000       7.378000      0.2865000      0.4511000      0.4033000
  1 1 1     -13    7    3 o    8.612000      0.2054000       8.490000 0.2934000       8.733000      0.2876000     -0.2436000      0.4108000
  1 1 1     -13    7    4 o    1.517000      0.4246000       1.214000 0.5487000       1.820000      0.6481000     -0.6064000      0.8492000
  1 1 1     -13    7    5 o    3.843000      0.4663000       3.977000 0.5673000       3.709000      0.7402000      0.2681000      0.9326000
  1 1 1     -13    7    6 o    12.79000      0.2349000       12.39000 0.3351000       13.18000      0.3292000     -0.7948000      0.4698000
  1 1 1     -13    7    7 o    3.812000      0.3431000       3.896000 0.4583000       3.727000      0.5108000      0.1691000      0.6862000
  1 1 1     -13    7    8 o    7.665000      0.3560000       7.417000 0.5515000       7.912000      0.4502000     -0.4946000      0.7119000
  1 1 1     -13    7    9 o    9.876000      0.3319000       10.14000 0.5047000       9.616000      0.4310000      0.5200000      0.6637000
  1 1 1     -13    7   10 o    4.047000      0.3556000       3.731000 0.5443000       4.363000      0.4578000     -0.6319000      0.7112000
  1 1 1     -13    7   11 o    8.518000      0.2440000       8.658000 0.3391000       8.378000      0.3509000      0.2798000      0.4879000
  1 1 1     -13    7   12 o    7.093000      0.2514000       7.481000 0.3228000       6.704000      0.3855000      0.7769000      0.5028000
  1 1 1     -13    7   13 o    4.616000      0.3173000       4.922000 0.3952000       4.309000      0.4964000      0.6128000      0.6345000
  1 1 1     -13    7   14 o    6.500000      0.2704000       6.757000 0.3421000       6.242000      0.4189000      0.5147000      0.5409000
  1 1 1     -13    7   15 o    8.499000      0.2482000       8.673000 0.3261000       8.325000      0.3743000      0.3476000      0.4964000
  1 1 1     -13    7   16 o    3.140000      0.4753000       3.144000 0.6174000       3.136000      0.7230000      0.8604000E-02  0.9507000
  1 1 1     -13    7   17 o    13.73000      0.2586000       13.89000 0.3565000       13.57000      0.3747000      0.3188000      0.5172000
  1 1 1     -13    7   18 o    7.887000      0.2654000       8.060000 0.3374000       7.714000      0.4099000      0.3460000      0.5309000
  1 1 1     -13    7   19 o    2.250000      0.5514000       2.319000 0.7572000       2.182000      0.8018000      0.1369000       1.103000
  1 1 1     -13    7   20 o    8.303000      0.2803000       8.616000 0.3644000       7.989000      0.4260000      0.6266000      0.5606000
  1 1 1     -13    7   21 o    3.924000      0.4659000       3.957000 0.5505000       3.891000      0.7519000      0.6614000E-01  0.9319000
  1 1 1     -13    7   22 o    2.571000      0.5642000       3.032000 0.7674000       2.111000      0.8273000      0.9211000       1.128000
  1 1 1     -13    7   23 o    6.473000      0.5211000       7.081000 0.5559000       5.864000      0.8816000       1.217000       1.042000
  1 1 1     -13    7   24 o    4.416000      0.4819000       5.078000 0.5270000       3.753000      0.8069000       1.325000      0.9638000
  1 1 1     -13    7   25 o    4.266000      0.5121000       3.500000 0.7801000       5.033000      0.6638000      -1.534000       1.024000
  1 1 1     -13    7   26 o    6.558000      0.5550000       6.648000 0.7551000       6.468000      0.8135000      0.1808000       1.110000
  1 1 1     -13    7   27 o    6.805000      0.3720000       6.472000 0.5167000       7.138000      0.5354000     -0.6665000      0.7440000
  1 1 1     -13    7   28 o    3.901000      0.6450000       3.605000 0.9609000       4.197000      0.8605000     -0.5923000       1.290000
  1 1 1     -13    7   29 o    4.680000      0.5267000       3.514000 0.8447000       5.847000      0.6295000      -2.332000       1.053000
  1 1 1     -13    7   30 o    2.968000      0.6259000       3.531000 0.8279000       2.405000      0.9391000       1.126000       1.252000
  1 1 1     -13    7   31 f    2.210000      0.6260000       1.988000 0.8340000       2.432000      0.9339000     -0.4443000       1.252000
  1 1 1     -13    7   32 o    1.993000      0.5939000       2.171000 0.8873000       1.816000      0.7895000      0.3549000       1.188000
  1 1 1     -13    8    1 o    11.80000      0.2486000       12.00000 0.4012000       11.60000      0.2938000      0.3988000      0.4973000
  1 1 1     -13    8    2 o    2.874000      0.3798000       2.882000 0.5348000       2.865000      0.5395000      0.1702000E-01  0.7597000
  1 1 1     -13    8    3 o    8.558000      0.2781000       8.384000 0.3764000       8.732000      0.4094000     -0.3485000      0.5562000
  1 1 1     -13    8    4 o    7.293000      0.2867000       7.340000 0.3764000       7.247000      0.4325000      0.9361000E-01  0.5734000
  1 1 1     -13    8    5 o    3.796000      0.3314000       4.155000 0.4265000       3.436000      0.5074000      0.7194000      0.6629000
  1 1 1     -13    8    6 o    3.545000      0.3688000       3.469000 0.5358000       3.620000      0.5069000     -0.1516000      0.7376000
  1 1 1     -13    8    7 o    3.497000      0.5682000       3.758000 0.8370000       3.237000      0.7687000      0.5209000       1.136000
  1 1 1     -13    8    8 o    5.755000      0.2758000       5.935000 0.3772000       5.575000      0.4026000      0.3606000      0.5517000
  1 1 1     -13    8    9 o    3.179000      0.4463000       3.104000 0.6543000       3.253000      0.6072000     -0.1493000      0.8926000
  1 1 1     -13    8   10 o    9.818000      0.2315000       9.718000 0.3282000       9.918000      0.3265000     -0.1998000      0.4630000
  1 1 1     -13    8   11 o    10.92000      0.2356000       10.98000 0.3363000       10.87000      0.3300000      0.1133000      0.4711000
  1 1 1     -13    8   12 o    8.522000      0.2474000       8.480000 0.3423000       8.565000      0.3574000     -0.8484000E-01  0.4949000
  1 1 1     -13    8   13 f    4.713000      0.3263000       4.492000 0.4624000       4.935000      0.4605000     -0.4432000      0.6525000
  1 1 1     -13    8   14 o    5.451000      0.3405000       5.241000 0.5267000       5.661000      0.4316000     -0.4197000      0.6810000
  1 1 1     -13    8   15 o    9.654000      0.2421000       10.12000 0.3200000       9.187000      0.3634000      0.9350000      0.4842000
  1 1 1     -13    8   16 o    4.288000      0.3474000       4.029000 0.4617000       4.548000      0.5192000     -0.5191000      0.6947000
  1 1 1     -13    8   17 o    7.234000      0.2679000       7.162000 0.3503000       7.307000      0.4054000     -0.1448000      0.5358000
  1 1 1     -13    8   18 o    5.949000      0.2967000       5.570000 0.3983000       6.327000      0.4399000     -0.7568000      0.5934000
  1 1 1     -13    8   19 o    2.336000      0.5688000       1.980000 0.7561000       2.692000      0.8500000     -0.7114000       1.138000
  1 1 1     -13    8   20 o    15.31000      0.2786000       15.36000 0.3826000       15.26000      0.4051000      0.9661000E-01  0.5572000
  1 1 1     -13    8   21 o    4.853000      0.4419000       5.384000 0.4850000       4.321000      0.7387000       1.063000      0.8837000
  1 1 1     -13    8   22 o    5.422000      0.5585000       5.527000 0.6863000       5.317000      0.8814000      0.2098000       1.117000
  1 1 1     -13    8   23 o    2.491000      0.5916000       2.262000 0.7849000       2.720000      0.8853000     -0.4587000       1.183000
  1 1 1     -13    8   24 o    5.664000      0.4237000       6.351000 0.4847000       4.977000      0.6950000       1.374000      0.8473000
  1 1 1     -13    8   25 o    6.402000      0.4969000       6.512000 0.6706000       6.291000      0.7333000      0.2201000      0.9937000
  1 1 1     -13    8   26 o    4.763000      0.4814000       4.809000 0.6252000       4.716000      0.7322000      0.9299000E-01  0.9628000
  1 1 1     -13    8   27 o    4.056000      0.5877000       3.752000 0.7894000       4.359000      0.8708000     -0.6071000       1.175000
  1 1 1     -13    8   28 o    2.585000      0.6405000       2.112000 0.8276000       3.059000      0.9779000     -0.9469000       1.281000
  1 1 1     -13    8   29 o    3.693000      0.6037000       4.078000 0.7471000       3.308000      0.9484000      0.7697000       1.207000
  1 1 1     -13    8   30 o    2.032000      0.5855000       2.397000 0.8811000       1.667000      0.7714000      0.7305000       1.171000
  1 1 1     -13    8   31 o    4.448000      0.5293000       4.288000 0.7485000       4.608000      0.7486000     -0.3202000       1.059000
  1 1 1     -13    8   32 o    2.082000      0.6052000       2.345000 0.9004000       1.819000      0.8090000      0.5264000       1.210000
  1 1 1     -13    9    1 o    2.136000      0.5070000       2.029000 0.6775000       2.243000      0.7543000     -0.2136000       1.014000
  1 1 1     -13    9    2 o    8.429000      0.2666000       8.245000 0.3565000       8.614000      0.3965000     -0.3690000      0.5332000
  1 1 1     -13    9    3 o    17.43000      0.2675000       17.59000 0.3824000       17.28000      0.3741000      0.3053000      0.5349000
  1 1 1     -13    9    4 o    5.474000      0.2458000       5.458000 0.3543000       5.490000      0.3409000     -0.3189000E-01  0.4917000
  1 1 1     -13    9    5 o    12.15000      0.3320000       12.50000 0.4990000       11.80000      0.4379000      0.6971000      0.6639000
  1 1 1     -13    9    6 o    8.208000      0.3243000       8.863000 0.4834000       7.554000      0.4323000       1.309000      0.6485000
  1 1 1     -13    9    7 o    5.303000      0.2794000       5.671000 0.3802000       4.935000      0.4096000      0.7368000      0.5589000
  1 1 1     -13    9    8 o    10.13000      0.2285000       10.15000 0.3243000       10.12000      0.3219000      0.3406000E-01  0.4570000
  1 1 1     -13    9    9 o    10.84000      0.2309000       10.95000 0.3260000       10.72000      0.3271000      0.2294000      0.4618000
  1 1 1     -13    9   10 o    4.632000      0.3281000       4.715000 0.4635000       4.548000      0.4644000      0.1670000      0.6561000
  1 1 1     -13    9   11 o    1.276000      0.4146000      0.9918000 0.4897000       1.560000      0.6692000     -0.5681000      0.8293000
  1 1 1     -13    9   12 o    7.300000      0.2581000       7.084000 0.3722000       7.517000      0.3576000     -0.4330000      0.5161000
  1 1 1     -13    9   13 o    2.438000      0.5408000       2.538000 0.7361000       2.338000      0.7926000      0.1992000       1.082000
  1 1 1     -13    9   14 o    3.021000      0.4962000       3.339000 0.6648000       2.704000      0.7368000      0.6347000      0.9924000
  1 1 1     -13    9   15 o    8.503000      0.2571000       8.341000 0.3691000       8.665000      0.3580000     -0.3243000      0.5142000
  1 1 1     -13    9   16 o    10.83000      0.2600000       10.78000 0.3701000       10.87000      0.3653000     -0.9237000E-01  0.5200000
  1 1 1     -13    9   17 o    4.922000      0.3350000       4.894000 0.4382000       4.949000      0.5067000     -0.5556000E-01  0.6699000
  1 1 1     -13    9   18 o    7.152000      0.2892000       6.945000 0.3737000       7.358000      0.4414000     -0.4134000      0.5783000
  1 1 1     -13    9   19 o    8.340000      0.2670000       8.073000 0.3609000       8.608000      0.3936000     -0.5346000      0.5340000
  1 1 1     -13    9   20 o    11.74000      0.2614000       11.58000 0.3497000       11.89000      0.3886000     -0.3044000      0.5228000
  1 1 1     -13    9   22 o    2.650000      0.6082000       2.401000 0.8103000       2.899000      0.9073000     -0.4979000       1.216000
  1 1 1     -13    9   23 o    1.986000      0.5816000       2.051000 0.8129000       1.920000      0.8321000      0.1306000       1.163000
  1 1 1     -13    9   24 o    4.213000      0.6549000       4.949000 0.7984000       3.477000       1.038000       1.472000       1.310000
  1 1 1     -13    9   25 o    3.940000      0.5801000       3.864000 0.7744000       4.016000      0.8640000     -0.1521000       1.160000
  1 1 1     -13    9   26 o    6.922000      0.3589000       6.642000 0.4673000       7.202000      0.5448000     -0.5608000      0.7178000
  1 1 1     -13    9   27 o    3.595000      0.6413000       3.128000 0.8787000       4.062000      0.9344000     -0.9342000       1.283000
  1 1 1     -13    9   28 o    4.242000      0.5550000       4.263000 0.7054000       4.222000      0.8570000      0.4159000E-01   1.110000
  1 1 1     -13    9   29 f    3.537000      0.5914000       3.081000 0.8479000       3.992000      0.8248000     -0.9109000       1.183000
  1 1 1     -13    9   30 o    2.639000      0.6258000       3.108000 0.9002000       2.170000      0.8697000      0.9379000       1.252000
  1 1 1     -13    9   31 o    2.892000      0.6025000       3.724000 0.8369000       2.060000      0.8670000       1.664000       1.205000
  1 1 1     -13   10    1 o    3.521000      0.3165000       3.225000 0.4806000       3.817000      0.4120000     -0.5917000      0.6330000
  1 1 1     -13   10    2 o    2.215000      0.4345000       1.807000 0.6437000       2.623000      0.5838000     -0.8158000      0.8690000
  1 1 1     -13   10    3 o    5.870000      0.3486000       6.328000 0.5327000       5.413000      0.4498000      0.9155000      0.6972000
  1 1 1     -13   10    4 o    9.719000      0.3120000       9.989000 0.4739000       9.450000      0.4059000      0.5386000      0.6240000
  1 1 1     -13   10    5 o    9.135000      0.2199000       9.514000 0.3166000       8.755000      0.3053000      0.7593000      0.4399000
  1 1 1     -13   10    6 o    7.723000      0.2287000       7.986000 0.3320000       7.460000      0.3146000      0.5257000      0.4574000
  1 1 1     -13   10    7 o    3.521000      0.4049000       2.681000 0.6796000       4.362000      0.4404000      -1.680000      0.8098000
  1 1 1     -13   10    8 o    5.945000      0.2568000       5.914000 0.3653000       5.977000      0.3610000     -0.6236000E-01  0.5135000
  1 1 1     -13   10    9 o    5.555000      0.2774000       5.945000 0.3793000       5.165000      0.4048000      0.7808000      0.5548000
  1 1 1     -13   10   10 o    14.30000      0.2530000       14.45000 0.3620000       14.16000      0.3534000      0.2912000      0.5059000
  1 1 1     -13   10   11 f    5.819000      0.2792000       5.802000 0.3921000       5.836000      0.3975000     -0.3402000E-01  0.5584000
  1 1 1     -13   10   12 o    6.463000      0.2700000       6.311000 0.3763000       6.615000      0.3874000     -0.3040000      0.5401000
  1 1 1     -13   10   13 o    2.720000      0.5145000       2.373000 0.7756000       3.067000      0.6762000     -0.6943000       1.029000
  1 1 1     -13   10   14 o    11.24000      0.2493000       11.12000 0.3505000       11.36000      0.3547000     -0.2371000      0.4987000
  1 1 1     -13   10   15 o    6.226000      0.3042000       6.061000 0.4295000       6.390000      0.4310000     -0.3293000      0.6085000
  1 1 1     -13   10   16 o    9.123000      0.2672000       9.017000 0.3841000       9.229000      0.3714000     -0.2120000      0.5343000
  1 1 1     -13   10   17 o    2.783000      0.5559000       3.182000 0.7216000       2.383000      0.8460000      0.7991000       1.112000
  1 1 1     -13   10   18 o    5.828000      0.3407000       5.734000 0.4802000       5.921000      0.4835000     -0.1872000      0.6814000
  1 1 1     -13   10   19 o    8.125000      0.3966000       7.784000 0.5004000       8.465000      0.6155000     -0.6814000      0.7933000
  1 1 1     -13   10   20 o    5.572000      0.5109000       5.258000 0.6601000       5.886000      0.7799000     -0.6280000       1.022000
  1 1 1     -13   10   21 o    10.49000      0.2702000       10.63000 0.3531000       10.35000      0.4092000      0.2808000      0.5404000
  1 1 1     -13   10   22 o    1.912000      0.5865000       2.348000 0.9468000       1.475000      0.6924000      0.8736000       1.173000
  1 1 1     -13   10   23 o    5.452000      0.5621000       5.649000 0.7321000       5.255000      0.8532000      0.3940000       1.124000
  1 1 1     -13   10   24 o    2.336000      0.6163000       2.410000 0.8296000       2.262000      0.9116000      0.1481000       1.233000
  1 1 1     -13   10   25 o    5.294000      0.4498000       5.137000 0.5772000       5.451000      0.6901000     -0.3145000      0.8996000
  1 1 1     -13   10   26 o    4.223000      0.5520000       4.961000 0.5633000       3.486000      0.9496000       1.475000       1.104000
  1 1 1     -13   10   27 o    2.429000      0.8715000       2.429000 0.8715000                  ?              ?              ?              ?
  1 1 1     -13   10   28 o    3.127000      0.6424000       3.604000 0.8385000       2.651000      0.9736000      0.9526000       1.285000
  1 1 1     -13   10   29 o    4.610000      0.5912000       3.809000 0.9700000       5.410000      0.6760000      -1.601000       1.182000
  1 1 1     -13   10   30 o    1.961000      0.5830000       2.205000 0.8602000       1.717000      0.7873000      0.4880000       1.166000
  1 1 1     -13   10   31 o    2.597000      0.6541000       2.513000 0.9179000       2.680000      0.9321000     -0.1671000       1.308000
  1 1 1     -13   11    1 o    3.920000      0.5031000       3.264000 0.8605000       4.575000      0.5216000      -1.310000       1.006000
  1 1 1     -13   11    2 o    4.343000      0.4495000       4.983000 0.6867000       3.704000      0.5804000       1.279000      0.8991000
  1 1 1     -13   11    3 o    2.726000      0.4293000       2.669000 0.6267000       2.784000      0.5870000     -0.1147000      0.8586000
  1 1 1     -13   11    4 o    6.577000      0.2296000       6.758000 0.3165000       6.397000      0.3327000      0.3606000      0.4592000
  1 1 1     -13   11    5 f    4.510000      0.3023000       4.926000 0.4078000       4.094000      0.4464000      0.8326000      0.6047000
  1 1 1     -13   11    6 o    5.478000      0.2694000       5.281000 0.4041000       5.676000      0.3565000     -0.3948000      0.5389000
  1 1 1     -13   11    7 o    4.875000      0.2971000       4.588000 0.4454000       5.163000      0.3933000     -0.5754000      0.5942000
  1 1 1     -13   11    8 o    2.378000      0.4956000       2.136000 0.6905000       2.620000      0.7111000     -0.4844000      0.9912000
  1 1 1     -13   11    9 o    10.00000      0.2322000       10.03000 0.3283000       9.980000      0.3285000      0.4504000E-01  0.4644000
  1 1 1     -13   11   10 o    17.21000      0.2787000       17.14000 0.3957000       17.28000      0.3925000     -0.1456000      0.5574000
  1 1 1     -13   11   11 o    2.571000      0.5128000       2.355000 0.7140000       2.787000      0.7362000     -0.4327000       1.026000
  1 1 1     -13   11   12 o    6.018000      0.2895000       5.651000 0.4293000       6.385000      0.3885000     -0.7336000      0.5789000
  1 1 1     -13   11   13 o    6.933000      0.2755000       7.124000 0.3805000       6.743000      0.3986000      0.3804000      0.5511000
  1 1 1     -13   11   14 o    5.299000      0.3379000       5.842000 0.4311000       4.756000      0.5204000       1.086000      0.6758000
  1 1 1     -13   11   15 o    9.455000      0.2609000       9.570000 0.3640000       9.339000      0.3739000      0.2309000      0.5218000
  1 1 1     -13   11   16 o    3.895000      0.4710000       4.194000 0.6013000       3.596000      0.7250000      0.5974000      0.9419000
  1 1 1     -13   11   17 o    1.652000      0.5167000       1.696000 0.7330000       1.607000      0.7283000      0.8952000E-01   1.033000
  1 1 1     -13   11   18 o    8.235000      0.3875000       8.211000 0.4785000       8.259000      0.6096000     -0.4841000E-01  0.7750000
  1 1 1     -13   11   19 o    8.705000      0.2941000       9.092000 0.4048000       8.318000      0.4266000      0.7738000      0.5881000
  1 1 1     -13   11   20 o    1.840000      0.5578000       2.011000 0.8153000       1.669000      0.7615000      0.3420000       1.116000
  1 1 1     -13   11   21 o    2.401000      0.6680000       2.406000 0.9266000       2.396000      0.9626000      0.1049000E-01   1.336000
  1 1 1     -13   11   22 o    1.989000      0.6302000       1.913000 0.8593000       2.066000      0.9220000     -0.1525000       1.260000
  1 1 1     -13   11   23 o    7.451000      0.3283000       7.784000 0.4137000       7.118000      0.5098000      0.6663000      0.6566000
  1 1 1     -13   11   24 o    5.962000      0.3873000       5.543000 0.5179000       6.381000      0.5760000     -0.8378000      0.7746000
  1 1 1     -13   11   25 o    2.874000      0.6649000       2.577000 0.8742000       3.171000       1.002000     -0.5937000       1.330000
  1 1 1     -13   11   26 o    2.928000      0.6368000       3.076000 0.8108000       2.781000      0.9822000      0.2951000       1.274000
  1 1 1     -13   11   27 o    5.840000      0.5424000       5.840000 0.5424000                  ?              ?              ?              ?
  1 1 1     -13   11   28 o    3.131000      0.6117000       2.365000 0.8678000       3.897000      0.8623000      -1.532000       1.223000
  1 1 1     -13   11   29 o    3.517000      0.9076000                  ?       ?   3.517000      0.9076000                  ?              ?
  1 1 1     -13   11   30 o    2.923000      0.6534000       2.894000 0.9255000       2.952000      0.9226000     -0.5815000E-01   1.307000
  1 1 1     -13   12    1 o    3.792000      0.3074000       3.876000 0.4338000       3.708000      0.4357000      0.1673000      0.6148000
  1 1 1     -13   12    2 o    6.186000      0.2322000       6.384000 0.3164000       5.988000      0.3400000      0.3960000      0.4645000
  1 1 1     -13   12    3 o    1.413000      0.4289000       1.484000 0.6194000       1.342000      0.5936000      0.1417000      0.8579000
  1 1 1     -13   12    4 o    8.205000      0.2215000       7.941000 0.3204000       8.468000      0.3061000     -0.5270000      0.4431000
  1 1 1     -13   12    5 o    2.142000      0.4826000       2.381000 0.6782000       1.903000      0.6867000      0.4784000      0.9652000
  1 1 1     -13   12    6 o    4.091000      0.3348000       4.081000 0.4774000       4.101000      0.4694000     -0.2002000E-01  0.6695000
  1 1 1     -13   12    7 o    6.967000      0.2484000       7.233000 0.3505000       6.700000      0.3521000      0.5325000      0.4968000
  1 1 1     -13   12    8 o    12.19000      0.2379000       12.10000 0.3381000       12.27000      0.3348000     -0.1704000      0.4758000
  1 1 1     -13   12    9 o    3.204000      0.4490000       3.887000 0.5064000       2.521000      0.7416000       1.367000      0.8980000
  1 1 1     -13   12   10 o    7.125000      0.2570000       7.341000 0.3563000       6.910000      0.3706000      0.4318000      0.5141000
  1 1 1     -13   12   11 o    8.765000      0.2449000       8.904000 0.3403000       8.625000      0.3522000      0.2797000      0.4897000
  1 1 1     -13   12   12 o    3.344000      0.4845000       3.124000 0.7090000       3.564000      0.6606000     -0.4405000      0.9690000
  1 1 1     -13   12   13 f    5.752000      0.3120000       5.751000 0.4494000       5.753000      0.4328000     -0.1527000E-02  0.6239000
  1 1 1     -13   12   14 o    2.023000      0.5426000       2.170000 0.7768000       1.875000      0.7577000      0.2945000       1.085000
  1 1 1     -13   12   15 o    4.204000      0.4516000       4.138000 0.6388000       4.270000      0.6385000     -0.1324000      0.9032000
  1 1 1     -13   12   16 o    11.20000      0.3529000       11.64000 0.4718000       10.77000      0.5249000      0.8727000      0.7058000
  1 1 1     -13   12   17 o    7.566000      0.3898000       7.465000 0.4817000       7.667000      0.6130000     -0.2020000      0.7796000
  1 1 1     -13   12   18 o    1.807000      0.5363000       1.387000 0.6563000       2.227000      0.8485000     -0.8398000       1.073000
  1 1 1     -13   12   19 o    3.588000      0.5560000       3.213000 0.8375000       3.964000      0.7316000     -0.7502000       1.112000
  1 1 1     -13   12   20 o    5.654000      0.7010000       6.109000 1.063000       5.200000      0.9137000      0.9085000       1.402000
  1 1 1     -13   12   21 o    3.890000      0.5529000       3.804000 0.7666000       3.977000      0.7968000     -0.1730000       1.106000
  1 1 1     -13   12   22 o    4.375000      0.5438000       3.889000 0.7945000       4.861000      0.7426000     -0.9717000       1.088000
  1 1 1     -13   12   23 o    3.625000      0.5773000       3.500000 0.7451000       3.750000      0.8820000     -0.2494000       1.155000
  1 1 1     -13   12   24 o    3.763000      0.6136000       3.932000 0.7596000       3.595000      0.9639000      0.3369000       1.227000
  1 1 1     -13   12   25 o    1.817000      0.5622000       1.377000 0.6503000       2.256000      0.9171000     -0.8789000       1.124000
  1 1 1     -13   12   26 o    2.724000      0.6553000       2.667000 0.8719000       2.780000      0.9785000     -0.1127000       1.311000
  1 1 1     -13   12   27 o    5.152000      0.4466000       5.103000 0.5673000       5.201000      0.6899000     -0.9807000E-01  0.8932000
  1 1 1     -13   12   28 o    5.180000      0.4481000       5.150000 0.6004000       5.210000      0.6653000     -0.6070000E-01  0.8962000
  1 1 1     -13   12   29 o    3.530000      0.6583000       3.511000 0.9341000       3.549000      0.9278000     -0.3827000E-01   1.317000
  1 1 1     -13   13    1 o    6.821000      0.2225000       6.952000 0.3129000       6.691000      0.3164000      0.2609000      0.4450000
  1 1 1     -13   13    2 o    12.90000      0.2262000       13.15000 0.3267000       12.66000      0.3128000      0.4826000      0.4523000
  1 1 1     -13   13    3 o    5.350000      0.2615000       5.034000 0.3815000       5.666000      0.3577000     -0.6322000      0.5230000
  1 1 1     -13   13    4 o    14.10000      0.2409000       13.90000 0.3392000       14.31000      0.3422000     -0.4186000      0.4818000
  1 1 1     -13   13    5 o    7.234000      0.2315000       7.355000 0.3203000       7.113000      0.3342000      0.2420000      0.4629000
  1 1 1     -13   13    6 o    3.330000      0.4151000       3.524000 0.5331000       3.137000      0.6365000      0.3863000      0.8302000
  1 1 1     -13   13    7 o    10.70000      0.2277000       10.64000 0.3230000       10.76000      0.3211000     -0.1195000      0.4554000
  1 1 1     -13   13    8 o    10.76000      0.2362000       11.13000 0.3338000       10.39000      0.3341000      0.7371000      0.4723000
  1 1 1     -13   13    9 o    8.083000      0.2434000       7.736000 0.3515000       8.431000      0.3369000     -0.6948000      0.4868000
  1 1 1     -13   13   10 o    10.82000      0.2392000       10.84000 0.3399000       10.80000      0.3366000      0.4258000E-01  0.4784000
  1 1 1     -13   13   11 o    7.140000      0.2705000       7.248000 0.3809000       7.031000      0.3842000      0.2173000      0.5410000
  1 1 1     -13   13   12 o    4.568000      0.3697000       4.376000 0.5251000       4.760000      0.5206000     -0.3834000      0.7394000
  1 1 1     -13   13   13 o    10.56000      0.2582000       11.08000 0.3654000       10.04000      0.3649000       1.047000      0.5164000
  1 1 1     -13   13   14 o    8.234000      0.2781000       8.250000 0.3901000       8.219000      0.3965000      0.3151000E-01  0.5563000
  1 1 1     -13   13   15 o    3.115000      0.6360000       3.576000 0.8151000       2.654000      0.9765000      0.9219000       1.272000
  1 1 1     -13   13   16 o    13.63000      0.2765000       13.72000 0.3910000       13.55000      0.3909000      0.1750000      0.5529000
  1 1 1     -13   13   17 o    6.526000      0.3326000       6.113000 0.4585000       6.939000      0.4821000     -0.8262000      0.6653000
  1 1 1     -13   13   18 o    7.674000      0.5626000       6.851000 0.9415000       8.497000      0.6162000      -1.646000       1.125000
  1 1 1     -13   13   19 o    4.358000      0.7772000       5.473000 1.166000       3.242000       1.028000       2.230000       1.554000
  1 1 1     -13   13   20 o    8.975000      0.3053000       9.318000 0.4238000       8.631000      0.4395000      0.6873000      0.6106000
  1 1 1     -13   13   21 o    5.471000      0.4243000       4.577000 0.6539000       6.364000      0.5410000      -1.787000      0.8487000
  1 1 1     -13   13   22 o    8.295000      0.3405000       8.700000 0.4570000       7.891000      0.5049000      0.8092000      0.6810000
  1 1 1     -13   13   23 o    2.952000      0.6769000       3.047000 0.9420000       2.857000      0.9724000      0.1896000       1.354000
  1 1 1     -13   13   24 o    2.120000      0.6207000       1.854000 0.8291000       2.386000      0.9239000     -0.5324000       1.241000
  1 1 1     -13   13   25 o    3.765000      0.5682000       4.502000 0.6176000       3.029000      0.9538000       1.472000       1.136000
  1 1 1     -13   13   26 f    4.133000      0.5452000       3.720000 0.7798000       4.546000      0.7623000     -0.8254000       1.090000
  1 1 1     -13   13   27 o    2.854000      0.6306000       2.144000 0.8380000       3.563000      0.9425000      -1.419000       1.261000
  1 1 1     -13   13   28 o    2.295000      0.6347000       2.665000 0.9381000       1.925000      0.8554000      0.7397000       1.269000
  1 1 1     -13   13   29 o    3.097000       1.128000                  ?       ?   3.097000       1.128000                  ?              ?
  1 1 1     -13   14    1 f    8.029000      0.2176000       8.001000 0.3134000       8.057000      0.3021000     -0.5657000E-01  0.4353000
  1 1 1     -13   14    2 f    11.47000      0.2208000       11.50000 0.3199000       11.45000      0.3044000      0.4563000E-01  0.4416000
  1 1 1     -13   14    3 o    11.47000      0.2215000       11.56000 0.3207000       11.39000      0.3056000      0.1714000      0.4430000
  1 1 1     -13   14    4 o    11.06000      0.2262000       10.93000 0.3261000       11.19000      0.3135000     -0.2589000      0.4524000
  1 1 1     -13   14    5 o    5.280000      0.2823000       5.483000 0.3872000       5.076000      0.4110000      0.4075000      0.5647000
  1 1 1     -13   14    6 o    5.454000      0.2793000       5.629000 0.3874000       5.278000      0.4025000      0.3505000      0.5587000
  1 1 1     -13   14    7 o    2.468000      0.4903000       2.969000 0.6671000       1.967000      0.7187000       1.002000      0.9806000
  1 1 1     -13   14    8 o    5.456000      0.2955000       5.360000 0.4327000       5.553000      0.4026000     -0.1932000      0.5910000
  1 1 1     -13   14    9 o    1.741000      0.5014000       1.779000 0.7045000       1.704000      0.7137000      0.7526000E-01   1.003000
  1 1 1     -13   14   10 o    4.928000      0.3434000       5.108000 0.4524000       4.747000      0.5169000      0.3610000      0.6869000
  1 1 1     -13   14   11 o    10.88000      0.2488000       10.80000 0.3565000       10.95000      0.3472000     -0.1464000      0.4977000
  1 1 1     -13   14   12 o    2.831000      0.5320000       2.341000 0.7828000       3.320000      0.7206000     -0.9795000       1.064000
  1 1 1     -13   14   13 o    11.53000      0.3381000       11.07000 0.4439000       11.99000      0.5102000     -0.9252000      0.6763000
  1 1 1     -13   14   14 o    14.09000      0.3623000       14.18000 0.4946000       14.01000      0.5295000      0.1645000      0.7245000
  1 1 1     -13   14   15 o    2.348000      0.5354000       3.055000 0.7871000       1.642000      0.7260000       1.412000       1.071000
  1 1 1     -13   14   16 o    7.166000      0.4807000       7.270000 0.8620000       7.062000      0.4258000      0.2087000      0.9614000
  1 1 1     -13   14   17 o    12.64000      0.4387000       13.10000 0.6685000       12.18000      0.5682000      0.9247000      0.8774000
  1 1 1     -13   14   18 o    11.98000      0.2833000       11.75000 0.4096000       12.21000      0.3914000     -0.4619000      0.5666000
  1 1 1     -13   14   19 o    7.784000      0.3340000       7.791000 0.4602000       7.778000      0.4842000      0.1357000E-01  0.6680000
  1 1 1     -13   14   20 o    9.668000      0.3051000       9.995000 0.4196000       9.342000      0.4429000      0.6532000      0.6101000
  1 1 1     -13   14   21 o    9.926000      0.3105000       9.685000 0.4364000       10.17000      0.4418000     -0.4825000      0.6210000
  1 1 1     -13   14   22 o    3.410000      0.6245000       2.839000 0.9283000       3.980000      0.8356000      -1.141000       1.249000
  1 1 1     -13   14   23 o    2.514000      0.6506000       2.878000 0.9513000       2.150000      0.8878000      0.7279000       1.301000
  1 1 1     -13   14   24 o    3.293000      0.6324000       2.786000 0.9326000       3.799000      0.8543000      -1.014000       1.265000
  1 1 1     -13   14   25 o    1.450000      0.4932000       1.224000 0.6070000       1.676000      0.7775000     -0.4523000      0.9864000
  1 1 1     -13   14   26 o    1.980000      0.5977000       1.899000 0.8005000       2.061000      0.8877000     -0.1628000       1.195000
  1 1 1     -13   14   27 o    2.323000      0.6368000       2.131000 0.8352000       2.515000      0.9614000     -0.3837000       1.274000
  1 1 1     -13   14   28 o    2.179000      0.6234000       2.280000 0.8788000       2.077000      0.8844000      0.2032000       1.247000
  1 1 1     -13   15    1 o    6.839000      0.3261000                  ?       ?   6.839000      0.3261000                  ?              ?
  1 1 1     -13   15    2 o    9.950000      0.2203000       10.16000 0.3212000       9.742000      0.3015000      0.4159000      0.4406000
  1 1 1     -13   15    3 o    14.45000      0.2457000       14.50000 0.3551000       14.41000      0.3398000      0.9118000E-01  0.4915000
  1 1 1     -13   15    4 o    5.347000      0.2831000       5.313000 0.4079000       5.380000      0.3927000     -0.6682000E-01  0.5662000
  1 1 1     -13   15    5 o    6.597000      0.2553000       6.795000 0.3595000       6.399000      0.3626000      0.3957000      0.5106000
  1 1 1     -13   15    6 o    3.269000      0.4476000       2.858000 0.7054000       3.680000      0.5511000     -0.8227000      0.8951000
  1 1 1     -13   15    7 o    5.327000      0.3053000       5.589000 0.4184000       5.065000      0.4446000      0.5242000      0.6105000
  1 1 1     -13   15    8 o    14.21000      0.2559000       14.34000 0.3660000       14.09000      0.3577000      0.2470000      0.5118000
  1 1 1     -13   15    9 o    6.571000      0.2797000       6.453000 0.3928000       6.688000      0.3983000     -0.2350000      0.5593000
  1 1 1     -13   15   10 o    7.363000      0.2669000       7.552000 0.3802000       7.175000      0.3746000      0.3770000      0.5337000
  1 1 1     -13   15   11 f    6.172000      0.3746000       5.770000 0.4929000       6.575000      0.5641000     -0.8056000      0.7491000
  1 1 1     -13   15   12 o    2.710000      0.6386000       2.702000 0.8644000       2.719000      0.9402000     -0.1668000E-01   1.277000
  1 1 1     -13   15   13 f    7.818000      0.2837000       7.761000 0.3984000       7.874000      0.4039000     -0.1132000      0.5674000
  1 1 1     -13   15   14 o    5.555000      0.3579000       5.763000 0.4860000       5.347000      0.5255000      0.4161000      0.7158000
  1 1 1     -13   15   15 o    8.540000      0.4850000       8.215000 0.7912000       8.865000      0.5610000     -0.6494000      0.9699000
  1 1 1     -13   15   16 o    4.852000      0.4171000       4.505000 0.6104000       5.199000      0.5685000     -0.6940000      0.8341000
  1 1 1     -13   15   17 o    7.828000      0.3119000       8.158000 0.4220000       7.499000      0.4594000      0.6588000      0.6238000
  1 1 1     -13   15   18 o    5.041000      0.4429000       5.459000 0.5481000       4.623000      0.6959000      0.8364000      0.8858000
  1 1 1     -13   15   19 o    2.764000      0.6280000       2.460000 0.8702000       3.067000      0.9057000     -0.6076000       1.256000
  1 1 1     -13   15   20 o    8.917000      0.3114000       8.944000 0.4408000       8.891000      0.4399000      0.5251000E-01  0.6227000
  1 1 1     -13   15   21 o    9.033000      0.3289000       9.526000 0.4407000       8.539000      0.4882000      0.9871000      0.6577000
  1 1 1     -13   15   22 o    2.108000      0.6159000       2.138000 0.8805000       2.079000      0.8614000      0.5910000E-01   1.232000
  1 1 1     -13   15   23 o    2.816000      0.6352000       2.076000 0.8760000       3.557000      0.9202000      -1.481000       1.270000
  1 1 1     -13   15   24 o    2.667000      0.6295000       3.131000 0.8949000       2.203000      0.8856000      0.9276000       1.259000
  1 1 1     -13   15   25 o    3.770000      0.6194000       3.840000 0.8001000       3.700000      0.9458000      0.1400000       1.239000
  1 1 1     -13   15   26 o    2.108000      0.6226000       2.223000 0.8977000       1.993000      0.8630000      0.2301000       1.245000
  1 1 1     -13   15   27 o    2.716000      0.6550000       2.772000 0.8945000       2.661000      0.9571000      0.1108000       1.310000
  1 1 1     -13   16    1 o    5.808000      0.3722000                  ?       ?   5.808000      0.3722000                  ?              ?
  1 1 1     -13   16    2 o    14.50000      0.2498000       14.77000 0.3667000       14.24000      0.3392000      0.5348000      0.4995000
  1 1 1     -13   16    3 o    4.759000      0.3282000       5.208000 0.4665000       4.310000      0.4618000      0.8976000      0.6564000
  1 1 1     -13   16    4 o    7.842000      0.2402000       7.609000 0.3515000       8.075000      0.3274000     -0.4661000      0.4804000
  1 1 1     -13   16    5 o    8.332000      0.2378000       8.042000 0.3444000       8.622000      0.3281000     -0.5806000      0.4757000
  1 1 1     -13   16    6 o    5.848000      0.2833000       5.973000 0.4055000       5.723000      0.3957000      0.2495000      0.5666000
  1 1 1     -13   16    7 o    3.882000      0.4177000       4.097000 0.5679000       3.667000      0.6128000      0.4303000      0.8355000
  1 1 1     -13   16    8 o    2.408000      0.5540000       2.523000 0.7799000       2.294000      0.7871000      0.2292000       1.108000
  1 1 1     -13   16    9 o    10.06000      0.3201000       9.899000 0.4184000       10.22000      0.4844000     -0.3172000      0.6401000
  1 1 1     -13   16   10 o    10.62000      0.3237000       10.26000 0.4387000       10.98000      0.4761000     -0.7186000      0.6474000
  1 1 1     -13   16   11 o    5.051000      0.3576000       4.273000 0.5638000       5.829000      0.4401000      -1.556000      0.7152000
  1 1 1     -13   16   12 o    8.240000      0.2757000       8.402000 0.3927000       8.078000      0.3870000      0.3238000      0.5513000
  1 1 1     -13   16   13 o    6.771000      0.5475000       6.560000 0.9144000       6.983000      0.6025000     -0.4238000       1.095000
  1 1 1     -13   16   14 o    6.383000      0.3880000       6.292000 0.4415000       6.474000      0.6383000     -0.1819000      0.7761000
  1 1 1     -13   16   15 o    7.309000      0.3103000       7.329000 0.4365000       7.289000      0.4412000      0.3973000E-01  0.6206000
  1 1 1     -13   16   16 o    3.556000      0.5492000       2.704000 0.8791000       4.409000      0.6587000      -1.706000       1.098000
  1 1 1     -13   16   17 o    2.622000      0.6130000       2.795000 0.8499000       2.450000      0.8836000      0.3446000       1.226000
  1 1 1     -13   16   18 o    2.253000      0.6098000       1.890000 0.7993000       2.617000      0.9211000     -0.7277000       1.220000
  1 1 1     -13   16   19 o    3.265000      0.6173000       2.948000 0.8938000       3.582000      0.8518000     -0.6340000       1.235000
  1 1 1     -13   16   20 o    3.605000      0.6032000       3.968000 0.7608000       3.242000      0.9362000      0.7261000       1.206000
  1 1 1     -13   16   21 o    4.685000      0.4970000       4.585000 0.7220000       4.784000      0.6833000     -0.1990000      0.9941000
  1 1 1     -13   16   22 o    2.067000      0.6134000       2.014000 0.8611000       2.119000      0.8738000     -0.1054000       1.227000
  1 1 1     -13   16   23 o    2.681000      0.6264000       1.953000 0.8561000       3.410000      0.9147000      -1.458000       1.253000
  1 1 1     -13   16   24 o    3.731000      0.6145000       3.874000 0.8253000       3.589000      0.9106000      0.2845000       1.229000
  1 1 1     -13   16   25 o    3.001000      0.6528000       2.480000 0.9279000       3.521000      0.9184000      -1.041000       1.306000
  1 1 1     -13   16   26 o    3.418000      0.6346000       4.105000 0.8047000       2.731000      0.9814000       1.374000       1.269000
  1 1 1     -13   17    1 o    9.524000      0.2463000       9.381000 0.3698000       9.667000      0.3255000     -0.2853000      0.4926000
  1 1 1     -13   17    2 o    7.505000      0.2579000       7.784000 0.3705000       7.227000      0.3589000      0.5563000      0.5159000
  1 1 1     -13   17    3 o    3.114000      0.5083000       3.112000 0.7584000       3.116000      0.6768000     -0.3532000E-02   1.017000
  1 1 1     -13   17    4 o    4.958000      0.3393000       4.991000 0.5158000       4.925000      0.4410000      0.6570000E-01  0.6786000
  1 1 1     -13   17    5 o    11.93000      0.2433000       12.08000 0.3531000       11.77000      0.3349000      0.3111000      0.4866000
  1 1 1     -13   17    6 o    7.332000      0.3022000       6.997000 0.3622000       7.668000      0.4839000     -0.6708000      0.6045000
  1 1 1     -13   17    7 o    5.681000      0.3823000       5.405000 0.5125000       5.957000      0.5673000     -0.5519000      0.7645000
  1 1 1     -13   17    8 o    6.946000      0.3052000       7.161000 0.4639000       6.730000      0.3966000      0.4317000      0.6103000
  1 1 1     -13   17    9 o    8.009000      0.2662000       7.693000 0.3879000       8.325000      0.3647000     -0.6317000      0.5324000
  1 1 1     -13   17   10 o    5.705000      0.3165000       5.546000 0.4401000       5.864000      0.4550000     -0.3180000      0.6330000
  1 1 1     -13   17   11 o    4.572000      0.7098000       4.491000 1.175000       4.653000      0.7972000     -0.1615000       1.420000
  1 1 1     -13   17   12 o    5.182000      0.4869000       5.250000 0.5081000       5.113000      0.8306000      0.1370000      0.9737000
  1 1 1     -13   17   13 o    6.718000      0.3070000       7.183000 0.4151000       6.254000      0.4523000      0.9289000      0.6139000
  1 1 1     -13   17   14 o    3.139000      0.5574000       3.811000 0.7118000       2.467000      0.8580000       1.344000       1.115000
  1 1 1     -13   17   15 o    6.818000      0.3351000       6.919000 0.4687000       6.718000      0.4790000      0.2017000      0.6702000
  1 1 1     -13   17   16 o    6.839000      0.3435000       7.069000 0.4733000       6.608000      0.4979000      0.4608000      0.6870000
  1 1 1     -13   17   17 o    5.610000      0.4160000       5.796000 0.5792000       5.425000      0.5973000      0.3715000      0.8320000
  1 1 1     -13   17   18 o    4.315000      0.5496000       4.273000 0.7656000       4.356000      0.7887000     -0.8274000E-01   1.099000
  1 1 1     -13   17   19 o    1.742000      0.5524000       1.936000 0.8344000       1.548000      0.7242000      0.3883000       1.105000
  1 1 1     -13   17   20 o    2.553000      0.6373000       2.152000 0.8646000       2.953000      0.9365000     -0.8010000       1.275000
  1 1 1     -13   17   21 o    2.061000      0.6081000       2.206000 0.8889000       1.916000      0.8300000      0.2899000       1.216000
  1 1 1     -13   17   22 o    3.046000      0.6234000       2.144000 0.8800000       3.947000      0.8831000      -1.803000       1.247000
  1 1 1     -13   17   23 o    4.263000      0.5744000       3.625000 0.9076000       4.901000      0.7042000      -1.277000       1.149000
  1 1 1     -13   17   24 o    1.693000      0.5569000       1.737000 0.7975000       1.650000      0.7777000      0.8698000E-01   1.114000
  1 1 1     -13   17   25 o    2.855000      0.7215000       2.473000 1.068000       3.238000      0.9700000     -0.7646000       1.443000
  1 1 1     -13   18    1 o    8.803000      0.2621000       8.654000 0.3954000       8.953000      0.3441000     -0.2990000      0.5241000
  1 1 1     -13   18    2 o    3.804000      0.4552000       3.323000 0.7544000       4.285000      0.5097000     -0.9619000      0.9105000
  1 1 1     -13   18    3 o    3.636000      0.4812000       3.393000 0.7617000       3.880000      0.5883000     -0.4866000      0.9625000
  1 1 1     -13   18    4 o    2.308000      0.6318000       2.238000 0.8783000       2.378000      0.9084000     -0.1402000       1.264000
  1 1 1     -13   18    5 o    8.226000      0.3426000       7.910000 0.4741000       8.541000      0.4948000     -0.6316000      0.6853000
  1 1 1     -13   18    6 o    4.779000      0.3632000       4.860000 0.5146000       4.698000      0.5126000      0.1618000      0.7264000
  1 1 1     -13   18    7 o    9.841000      0.2512000       9.895000 0.3652000       9.787000      0.3450000      0.1080000      0.5024000
  1 1 1     -13   18    8 o    5.349000      0.5938000       6.170000 0.9072000       4.528000      0.7664000       1.642000       1.188000
  1 1 1     -13   18    9 o    2.432000      0.7059000       2.190000 0.9931000       2.673000       1.003000     -0.4826000       1.412000
  1 1 1     -13   18   10 o    4.566000      0.4196000       4.833000 0.5625000       4.299000      0.6228000      0.5346000      0.8392000
  1 1 1     -13   18   11 o    5.646000      0.3511000       5.696000 0.5055000       5.595000      0.4874000      0.1015000      0.7021000
  1 1 1     -13   18   12 o    4.471000      0.4369000       4.236000 0.6286000       4.706000      0.6069000     -0.4698000      0.8737000
  1 1 1     -13   18   13 o    2.781000      0.5808000       3.291000 0.7698000       2.271000      0.8700000       1.020000       1.162000
  1 1 1     -13   18   14 o    2.165000      0.5929000       2.047000 0.8259000       2.283000      0.8509000     -0.2363000       1.186000
  1 1 1     -13   18   15 o    3.122000      0.6312000       3.194000 0.8665000       3.049000      0.9182000      0.1457000       1.262000
  1 1 1     -13   18   16 o    3.506000      0.5906000       3.643000 0.8121000       3.369000      0.8578000      0.2744000       1.181000
  1 1 1     -13   18   17 o    5.900000      0.4012000       6.067000 0.5549000       5.734000      0.5797000      0.3339000      0.8025000
  1 1 1     -13   18   18 o    2.921000      0.6601000       2.762000 0.9303000       3.080000      0.9366000     -0.3189000       1.320000
  1 1 1     -13   18   19 o    2.657000      0.6575000       2.874000 0.9323000       2.439000      0.9275000      0.4346000       1.315000
  1 1 1     -13   18   20 o    5.412000      0.4754000       5.172000 0.6932000       5.652000      0.6507000     -0.4802000      0.9507000
  1 1 1     -13   18   21 o    4.305000      0.5636000       4.158000 0.8366000       4.452000      0.7553000     -0.2934000       1.127000
  1 1 1     -13   18   22 o    3.417000      0.6529000       3.590000 0.8607000       3.244000      0.9819000      0.3455000       1.306000
  1 1 1     -13   18   23 o    3.441000      0.6407000       3.606000 0.8878000       3.276000      0.9240000      0.3301000       1.281000
  1 1 1     -13   19    1 o    3.554000      0.7627000       3.442000 1.086000       3.666000       1.071000     -0.2242000       1.525000
  1 1 1     -13   19    2 o    3.887000      0.9256000                  ?       ?   3.887000      0.9256000                  ?              ?
  1 1 1     -13   19    3 o    8.944000      0.2694000       9.147000 0.4025000       8.742000      0.3580000      0.4051000      0.5387000
  1 1 1     -13   19    4 o    3.526000      0.5216000       3.417000 0.8255000       3.635000      0.6378000     -0.2174000       1.043000
  1 1 1     -13   19    5 o    4.009000      0.4469000       3.796000 0.6796000       4.222000      0.5804000     -0.4256000      0.8938000
  1 1 1     -13   19    6 o    6.425000      0.5664000       5.994000 0.9572000       6.855000      0.6056000     -0.8609000       1.133000
  1 1 1     -13   19    7 o    10.10000      0.4271000       10.36000 0.6745000       9.844000      0.5241000      0.5172000      0.8541000
  1 1 1     -13   19    8 o    5.073000      0.3690000       4.924000 0.5368000       5.221000      0.5066000     -0.2967000      0.7381000
  1 1 1     -13   19    9 o    4.139000      0.4522000       3.720000 0.6891000       4.558000      0.5858000     -0.8377000      0.9044000
  1 1 1     -13   19   10 o    9.121000      0.2769000       8.834000 0.3979000       9.408000      0.3852000     -0.5744000      0.5537000
  1 1 1     -13   19   11 o    9.013000      0.2819000       9.083000 0.4029000       8.943000      0.3944000      0.1399000      0.5638000
  1 1 1     -13   19   12 o    9.846000      0.2771000       9.962000 0.3969000       9.730000      0.3867000      0.2318000      0.5542000
  1 1 1     -13   19   13 o    3.643000      0.6065000       3.401000 0.8879000       3.885000      0.8264000     -0.4841000       1.213000
  1 1 1     -13   19   14 o    4.017000      0.5371000       4.044000 0.7554000       3.989000      0.7637000      0.5540000E-01   1.074000
  1 1 1     -13   19   15 o    3.107000      0.6023000       2.439000 0.8812000       3.775000      0.8213000      -1.336000       1.205000
  1 1 1     -13   19   16 o    3.964000      0.5885000       4.456000 0.7389000       3.471000      0.9161000      0.9852000       1.177000
  1 1 1     -13   19   17 f    7.378000      0.3557000       6.881000 0.5452000       7.876000      0.4571000     -0.9952000      0.7115000
  1 1 1     -13   19   18 o    3.328000      0.6426000       2.890000 0.9661000       3.767000      0.8475000     -0.8766000       1.285000
  1 1 1     -13   19   19 o    2.108000      0.6226000       2.167000 0.9041000       2.048000      0.8564000      0.1191000       1.245000
  1 1 1     -13   19   20 o    2.807000      0.6756000       2.477000 0.9547000       3.136000      0.9561000     -0.6593000       1.351000
  1 1 1     -13   19   21 o    3.712000      0.6476000       3.851000 0.9225000       3.573000      0.9093000      0.2782000       1.295000
  1 1 1     -13   19   22 o    2.831000      0.6717000       2.348000 0.9361000       3.314000      0.9635000     -0.9653000       1.343000
  1 1 1     -13   20    1 o    5.159000      0.4366000       6.362000 0.5594000       3.956000      0.6705000       2.406000      0.8732000
  1 1 1     -13   20    2 o    3.700000      0.5983000       3.903000 0.9460000       3.497000      0.7327000      0.4060000       1.197000
  1 1 1     -13   20    3 o    7.715000      0.4427000       8.310000 0.6941000       7.121000      0.5496000       1.189000      0.8854000
  1 1 1     -13   20    4 f    3.425000      0.7623000       3.719000 1.202000       3.131000      0.9378000      0.5877000       1.525000
  1 1 1     -13   20    5 o    2.384000      0.6136000       2.444000 0.9014000       2.324000      0.8326000      0.1197000       1.227000
  1 1 1     -13   20    6 o    3.208000      0.5834000       3.593000 0.8283000       2.822000      0.8219000      0.7711000       1.167000
  1 1 1     -13   20    7 o    1.775000      0.5463000       1.806000 0.7903000       1.745000      0.7546000      0.6100000E-01   1.093000
  1 1 1     -13   20    8 o    2.981000      0.5358000       4.151000 0.7246000       1.810000      0.7896000       2.342000       1.072000
  1 1 1     -13   20    9 o    4.032000      0.5196000       3.852000 0.7891000       4.213000      0.6762000     -0.3605000       1.039000
  1 1 1     -13   20   10 o    8.710000      0.2943000       8.773000 0.4295000       8.647000      0.4024000      0.1257000      0.5886000
  1 1 1     -13   20   11 f    6.667000      0.3571000       7.429000 0.4876000       5.905000      0.5218000       1.524000      0.7141000
  1 1 1     -13   20   12 o    5.599000      0.4097000       5.270000 0.6140000       5.928000      0.5427000     -0.6574000      0.8195000
  1 1 1     -13   20   13 o    3.643000      0.5722000       3.819000 0.7618000       3.467000      0.8540000      0.3524000       1.144000
  1 1 1     -13   20   14 o    2.644000      0.6448000       2.309000 0.8974000       2.979000      0.9261000     -0.6705000       1.290000
  1 1 1     -13   20   15 o    2.180000      0.6295000       2.294000 0.9134000       2.066000      0.8666000      0.2279000       1.259000
  1 1 1     -13   20   16 o    7.382000      0.3511000       7.564000 0.5013000       7.199000      0.4918000      0.3647000      0.7023000
  1 1 1     -13   20   17 o    4.428000      0.5603000       4.291000 0.8297000       4.565000      0.7532000     -0.2746000       1.121000
  1 1 1     -13   20   18 o    2.505000      0.6321000       1.951000 0.8501000       3.059000      0.9356000      -1.107000       1.264000
  1 1 1     -13   20   19 o    3.224000      0.6686000       3.507000 0.9111000       2.942000      0.9788000      0.5649000       1.337000
  1 1 1     -13   20   20 o    2.053000      0.6214000       2.215000 0.9054000       1.892000      0.8515000      0.3223000       1.243000
  1 1 1     -13   20   21 o    4.355000       1.127000       4.355000 1.127000                  ?              ?              ?              ?
  1 1 1     -13   21    1 o    5.489000      0.5868000       5.081000 1.003000       5.896000      0.6098000     -0.8159000       1.174000
  1 1 1     -13   21    2 o    5.120000      0.5079000       4.781000 0.8477000       5.459000      0.5597000     -0.6778000       1.016000
  1 1 1     -13   21    3 f    4.756000      0.5249000       4.512000 0.8644000       5.001000      0.5957000     -0.4888000       1.050000
  1 1 1     -13   21    4 o    4.276000      0.5761000       3.827000 0.9499000       4.725000      0.6521000     -0.8974000       1.152000
  1 1 1     -13   21    5 o    4.040000      0.5545000       3.015000 0.9615000       5.066000      0.5526000      -2.051000       1.109000
  1 1 1     -13   21    6 o    3.207000      0.6088000       3.509000 0.8734000       2.906000      0.8483000      0.6029000       1.218000
  1 1 1     -13   21    7 o    3.620000      0.5780000       3.860000 0.7984000       3.379000      0.8360000      0.4814000       1.156000
  1 1 1     -13   21    8 o    2.233000      0.6219000       2.394000 0.9314000       2.073000      0.8244000      0.3204000       1.244000
  1 1 1     -13   21    9 o    2.365000      0.6136000       2.074000 0.8608000       2.655000      0.8747000     -0.5810000       1.227000
  1 1 1     -13   21   10 f    4.796000      0.5049000       4.116000 0.8097000       5.475000      0.6036000      -1.358000       1.010000
  1 1 1     -13   21   11 o    7.983000      0.3188000       7.943000 0.4559000       8.024000      0.4457000     -0.8062000E-01  0.6376000
  1 1 1     -13   21   12 o    6.011000      0.3959000       6.518000 0.5352000       5.504000      0.5834000       1.014000      0.7917000
  1 1 1     -13   21   13 o    2.727000      0.6480000       3.045000 0.9262000       2.410000      0.9066000      0.6350000       1.296000
  1 1 1     -13   21   14 o    2.705000      0.6185000       2.097000 0.8592000       3.313000      0.8899000      -1.216000       1.237000
  1 1 1     -13   21   15 o    4.330000      0.5751000       4.503000 0.7962000       4.157000      0.8300000      0.3456000       1.150000
  1 1 1     -13   21   16 o    3.095000      0.6716000       2.894000 0.9838000       3.297000      0.9144000     -0.4035000       1.343000
  1 1 1     -13   21   17 o    2.837000      0.6418000       3.666000 0.9445000       2.007000      0.8693000       1.659000       1.284000
  1 1 1     -13   21   18 o    3.378000      0.6808000       3.096000 0.9917000       3.659000      0.9331000     -0.5629000       1.362000
  1 1 1     -13   21   19 o    3.004000      0.6974000       2.655000 0.9775000       3.354000      0.9951000     -0.6993000       1.395000
  1 1 1     -13   22    1 o    3.216000      0.6773000       3.467000 1.035000       2.965000      0.8739000      0.5024000       1.355000
  1 1 1     -13   22    2 o    4.348000      0.5929000       4.145000 0.9652000       4.552000      0.6888000     -0.4063000       1.186000
  1 1 1     -13   22    3 o    2.502000      0.5993000       1.625000 0.7872000       3.379000      0.9038000      -1.755000       1.199000
  1 1 1     -13   22    4 o    2.005000      0.6233000       1.854000 0.8713000       2.156000      0.8917000     -0.3021000       1.247000
  1 1 1     -13   22    5 o    6.859000      0.3955000       6.427000 0.6403000       7.291000      0.4645000     -0.8644000      0.7910000
  1 1 1     -13   22    6 o    4.050000      0.5806000       4.227000 0.8624000       3.873000      0.7776000      0.3543000       1.161000
  1 1 1     -13   22    7 o    2.517000      0.6109000       1.893000 0.8441000       3.142000      0.8835000      -1.250000       1.222000
  1 1 1     -13   22    8 o    3.194000      0.6419000       3.471000 0.9109000       2.917000      0.9047000      0.5544000       1.284000
  1 1 1     -13   22    9 o    3.136000      0.6460000       3.694000 0.9046000       2.579000      0.9226000       1.115000       1.292000
  1 1 1     -13   22   10 o    2.508000      0.6702000       2.680000 0.9753000       2.337000      0.9194000      0.3423000       1.340000
  1 1 1     -13   22   11 o    2.749000      0.6811000       2.643000 0.9859000       2.855000      0.9402000     -0.2113000       1.362000
  1 1 1     -13   22   12 o    4.114000      0.6106000       3.950000 0.9221000       4.278000      0.8006000     -0.3277000       1.221000
  1 1 1     -13   22   13 o    6.981000      0.3795000       7.369000 0.5374000       6.592000      0.5361000      0.7765000      0.7590000
  1 1 1     -13   22   14 o    3.587000      0.6467000       3.980000 0.8795000       3.194000      0.9483000      0.7860000       1.293000
  1 1 1     -13   22   15 o    2.953000      0.6853000       3.385000 0.9925000       2.521000      0.9451000      0.8643000       1.371000
  1 1 1     -13   22   16 o    2.158000      0.6403000       2.432000 0.9608000       1.884000      0.8467000      0.5476000       1.281000
  1 1 1     -13   22   17 o    2.484000      0.6833000       2.604000 0.9845000       2.363000      0.9477000      0.2408000       1.367000
  1 1 1     -13   23    1 o    3.296000       1.074000       3.296000 1.074000                  ?              ?              ?              ?
  1 1 1     -13   23    2 o    1.888000      0.6077000       1.921000 0.8860000       1.854000      0.8320000      0.6657000E-01   1.215000
  1 1 1     -13   23    3 o    2.533000      0.9640000                  ?       ?   2.533000      0.9640000                  ?              ?
  1 1 1     -13   23    4 o    2.302000      0.6790000       2.212000 0.9743000       2.391000      0.9459000     -0.1787000       1.358000
  1 1 1     -13   23    5 o    4.270000      0.6629000       4.085000 1.058000       4.456000      0.7985000     -0.3703000       1.326000
  1 1 1     -13   23    6 f    2.879000      0.6902000       2.390000 0.9858000       3.368000      0.9662000     -0.9782000       1.380000
  1 1 1     -13   23    7 o    2.008000      0.6239000       2.333000 0.9750000       1.682000      0.7786000      0.6510000       1.248000
  1 1 1     -13   23    8 o    2.921000      0.6446000       3.822000 0.9584000       2.021000      0.8622000       1.801000       1.289000
  1 1 1     -13   23    9 o    3.608000      0.6867000       3.234000 1.045000       3.982000      0.8911000     -0.7483000       1.373000
  1 1 1     -13   23   10 f    1.986000      0.6212000       2.285000 0.9559000       1.687000      0.7936000      0.5977000       1.242000
  1 1 1     -13   23   11 f    2.449000      0.6919000       2.247000 0.9695000       2.651000      0.9874000     -0.4041000       1.384000
  1 1 1     -13   23   12 o    3.570000      0.7090000       3.862000 1.023000       3.278000      0.9816000      0.5841000       1.418000
  1 1 1     -13   23   13 o    5.180000      0.5344000       4.817000 0.8348000       5.544000      0.6674000     -0.7267000       1.069000
  1 1 1     -13   23   14 o    1.859000      0.6036000       1.880000 0.8670000       1.838000      0.8400000      0.4149000E-01   1.207000
  1 1 1     -13   23   15 o    2.099000      0.6799000       2.600000 1.118000       1.597000      0.7734000       1.003000       1.360000
  1 1 1     -13   24    1 o    3.213000      0.7001000       3.509000 1.069000       2.918000      0.9039000      0.5904000       1.400000
  1 1 1     -13   24    2 o    3.261000      0.6756000       2.540000 1.021000       3.983000      0.8851000      -1.443000       1.351000
  1 1 1     -13   24    3 o    2.566000      0.7263000       3.390000 1.208000       1.742000      0.8067000       1.649000       1.453000
  1 1 1     -13   24    4 o    1.928000      0.6233000       1.810000 0.8625000       2.045000      0.9002000     -0.2350000       1.247000
  1 1 1     -13   24    5 o    3.281000      0.7336000       2.933000 1.103000       3.629000      0.9670000     -0.6962000       1.467000
  1 1 1     -13   24    6 o    2.925000      0.7369000       3.190000 1.074000       2.660000       1.009000      0.5298000       1.474000
  1 1 1     -13   24    7 o    3.166000      0.7216000       2.610000 1.063000       3.723000      0.9762000      -1.114000       1.443000
  1 1 1     -13   24    8 o    3.872000      0.6679000       3.123000 1.070000       4.620000      0.7998000      -1.496000       1.336000
  1 1 1     -13   24    9 o    1.907000      0.6155000       1.905000 0.8835000       1.910000      0.8572000     -0.5140000E-02   1.231000
  1 1 1     -13   24   10 o    2.870000      0.7122000       3.063000 1.042000       2.677000      0.9708000      0.3864000       1.424000
  1 1 1     -13   24   11 o    4.478000      0.6425000       5.435000 0.7779000       3.520000       1.023000       1.915000       1.285000
  1 1 1     -13   24   12 o    3.687000      0.6314000       3.577000 0.9074000       3.796000      0.8783000     -0.2199000       1.263000
  1 1 1     -13   25    1 o    3.407000      0.7531000       3.323000 1.113000       3.492000       1.014000     -0.1691000       1.506000
  1 1 1     -13   25    2 o    2.376000      0.7050000       2.656000 1.057000       2.096000      0.9336000      0.5603000       1.410000
  1 1 1     -13   25    3 o    1.793000      0.5922000       1.756000 0.8354000       1.830000      0.8395000     -0.7368000E-01   1.184000
  1 1 1     -13   25    4 o    1.977000      0.6385000       2.098000 0.9530000       1.856000      0.8500000      0.2420000       1.277000
  1 1 1     -13   25    5 o    2.340000      0.6939000       2.597000 1.059000       2.082000      0.8966000      0.5148000       1.388000
  1 1 1     -13   25    6 o    2.649000      0.7748000       3.673000 1.339000       1.624000      0.7806000       2.048000       1.550000
  1 1 1     -13   25    7 o    3.881000      0.7024000       3.386000 1.115000       4.376000      0.8540000     -0.9902000       1.405000
  1 1 1     -13   25    8 o    3.280000      0.9095000       3.736000 1.347000       2.823000       1.223000      0.9126000       1.819000
  1 1 1     -12  -37    1 o    2.686000       1.224000       2.686000 1.224000                  ?              ?              ?              ?
  1 1 1     -12  -37    2 o    3.659000       1.318000       3.659000 1.318000                  ?              ?              ?              ?
  1 1 1     -12  -36    1 o    2.183000      0.6899000       2.100000 0.9690000       2.265000      0.9823000     -0.1651000       1.380000
  1 1 1     -12  -36    2 o    1.887000      0.6323000       2.127000 0.9796000       1.646000      0.7998000      0.4808000       1.265000
  1 1 1     -12  -36    3 o    2.709000      0.7468000       2.843000 1.077000       2.575000       1.035000      0.2685000       1.494000
  1 1 1     -12  -36    4 o    1.995000      0.6346000       1.644000 0.7939000       2.345000      0.9903000     -0.7015000       1.269000
  1 1 1     -12  -36    5 o    3.845000      0.7535000       4.073000 1.061000       3.616000       1.070000      0.4567000       1.507000
  1 1 1     -12  -36    6 o    3.077000      0.7786000       3.066000 1.119000       3.088000       1.083000     -0.2229000E-01   1.557000
  1 1 1     -12  -36    7 o    2.269000      0.6713000       1.668000 0.8064000       2.870000       1.073000      -1.202000       1.343000
  1 1 1     -12  -36    8 o    3.561000      0.7304000       3.335000 1.050000       3.786000       1.016000     -0.4510000       1.461000
  1 1 1     -12  -36    9 o    3.650000       1.443000       3.650000 1.443000                  ?              ?              ?              ?
  1 1 1     -12  -35    1 o    3.237000      0.7633000       3.144000 1.124000       3.329000       1.033000     -0.1844000       1.527000
  1 1 1     -12  -35    2 o    2.772000      0.6325000       1.676000 0.7986000       3.868000      0.9810000      -2.193000       1.265000
  1 1 1     -12  -35    3 o    2.042000      0.6286000       1.734000 0.8213000       2.350000      0.9518000     -0.6166000       1.257000
  1 1 1     -12  -35    4 o    2.640000      0.7112000       2.782000 1.036000       2.497000      0.9743000      0.2851000       1.422000
  1 1 1     -12  -35    5 o    3.714000      0.7399000       3.524000 1.093000       3.903000      0.9974000     -0.3790000       1.480000
  1 1 1     -12  -35    6 o    2.513000      0.7076000       2.928000 1.067000       2.099000      0.9301000      0.8289000       1.415000
  1 1 1     -12  -35    7 o    3.718000      0.7122000       3.621000 0.9935000       3.815000       1.021000     -0.1938000       1.424000
  1 1 1     -12  -35    8 o    3.912000      0.6684000       3.099000 1.041000       4.724000      0.8382000      -1.625000       1.337000
  1 1 1     -12  -35    9 o    3.276000      0.7521000       2.955000 1.073000       3.597000       1.054000     -0.6419000       1.504000
  1 1 1     -12  -35   10 o    3.311000      0.7180000       3.032000 0.9915000       3.591000       1.039000     -0.5588000       1.436000
  1 1 1     -12  -35   11 o    3.355000      0.6527000       4.547000 0.9007000       2.163000      0.9448000       2.383000       1.305000
  1 1 1     -12  -35   12 o    2.023000      0.6451000       2.157000 0.9422000       1.888000      0.8815000      0.2688000       1.290000
  1 1 1     -12  -34    1 o    1.943000      0.6143000       1.927000 0.8793000       1.959000      0.8582000     -0.3180000E-01   1.229000
  1 1 1     -12  -34    2 o    1.887000      0.6078000       1.904000 0.8804000       1.870000      0.8382000      0.3447000E-01   1.216000
  1 1 1     -12  -34    3 o    3.104000      0.7109000       3.000000 1.064000       3.208000      0.9430000     -0.2081000       1.422000
  1 1 1     -12  -34    4 o    3.381000      0.6861000       2.839000 1.052000       3.923000      0.8804000      -1.083000       1.372000
  1 1 1     -12  -34    5 o    2.858000      0.7178000       2.666000 1.039000       3.049000      0.9910000     -0.3834000       1.436000
  1 1 1     -12  -34    6 o    2.869000      0.7066000       2.388000 0.9805000       3.350000       1.018000     -0.9618000       1.413000
  1 1 1     -12  -34    7 o    3.102000      0.7095000       3.429000 1.002000       2.776000       1.005000      0.6533000       1.419000
  1 1 1     -12  -34    8 o    2.426000      0.6872000       2.672000 1.023000       2.181000      0.9176000      0.4906000       1.374000
  1 1 1     -12  -34    9 o    2.177000      0.6592000       1.930000 0.8878000       2.424000      0.9746000     -0.4938000       1.318000
  1 1 1     -12  -34   10 o    2.823000      0.6983000       3.257000 1.004000       2.389000      0.9709000      0.8677000       1.397000
  1 1 1     -12  -34   11 o    2.802000      0.6547000       3.655000 0.9766000       1.949000      0.8722000       1.707000       1.309000
  1 1 1     -12  -34   12 o    4.352000      0.6743000       4.769000 0.9233000       3.935000      0.9829000      0.8339000       1.349000
  1 1 1     -12  -34   13 o    2.371000      0.6937000       2.183000 0.9330000       2.558000       1.027000     -0.3749000       1.387000
  1 1 1     -12  -34   14 o    3.478000      0.7451000       2.833000 1.064000       4.123000       1.044000      -1.290000       1.490000
  1 1 1     -12  -34   15 o    3.066000      0.8907000       3.015000 1.302000       3.116000       1.216000     -0.1007000       1.781000
  1 1 1     -12  -33    1 o    3.253000      0.6226000       2.568000 0.9630000       3.939000      0.7894000      -1.370000       1.245000
  1 1 1     -12  -33    2 o    3.114000      0.6229000       4.149000 0.8966000       2.078000      0.8650000       2.072000       1.246000
  1 1 1     -12  -33    3 o    3.574000      0.6528000       3.337000 1.007000       3.812000      0.8313000     -0.4754000       1.306000
  1 1 1     -12  -33    4 o    3.654000      0.6277000       4.678000 0.8257000       2.629000      0.9455000       2.049000       1.255000
  1 1 1     -12  -33    5 o    2.395000      0.6628000       2.307000 0.9502000       2.484000      0.9244000     -0.1768000       1.326000
  1 1 1     -12  -33    6 o    1.982000      0.6073000       1.871000 0.8380000       2.092000      0.8791000     -0.2210000       1.215000
  1 1 1     -12  -33    7 o    1.937000      0.5948000       1.712000 0.7943000       2.163000      0.8855000     -0.4514000       1.190000
  1 1 1     -12  -33    8 o    4.375000      0.5729000       4.769000 0.8189000       3.981000      0.8014000      0.7883000       1.146000
  1 1 1     -12  -33    9 o    5.096000      0.5233000       5.040000 0.8149000       5.152000      0.6567000     -0.1127000       1.047000
  1 1 1     -12  -33   10 o    4.860000      0.5736000       5.183000 0.8032000       4.537000      0.8191000      0.6462000       1.147000
  1 1 1     -12  -33   11 o    5.286000      0.5466000       6.354000 0.6181000       4.218000      0.9017000       2.136000       1.093000
  1 1 1     -12  -33   12 o    2.414000      0.6889000       2.691000 1.026000       2.136000      0.9199000      0.5547000       1.378000
  1 1 1     -12  -33   13 o    1.830000      0.6040000       1.803000 0.8442000       1.857000      0.8641000     -0.5414000E-01   1.208000
  1 1 1     -12  -33   14 o    2.602000      0.7053000       2.344000 0.9557000       2.861000       1.037000     -0.5165000       1.411000
  1 1 1     -12  -33   15 o    2.721000      0.6715000       3.454000 0.9939000       1.987000      0.9033000       1.467000       1.343000
  1 1 1     -12  -33   16 o    2.488000      0.6937000       2.734000 0.9984000       2.242000      0.9634000      0.4920000       1.387000
  1 1 1     -12  -33   17 o    2.342000      0.6965000       2.332000 0.9809000       2.351000      0.9891000     -0.1903000E-01   1.393000
  1 1 1     -12  -32    1 o    1.833000      0.5551000       1.826000 0.8099000       1.841000      0.7594000     -0.1422000E-01   1.110000
  1 1 1     -12  -32    2 o    2.346000      0.5907000       1.962000 0.8434000       2.731000      0.8272000     -0.7691000       1.181000
  1 1 1     -12  -32    3 o    1.978000      0.5739000       1.729000 0.7846000       2.227000      0.8379000     -0.4977000       1.148000
  1 1 1     -12  -32    4 o    4.175000      0.5290000       4.419000 0.7441000       3.932000      0.7521000      0.4875000       1.058000
  1 1 1     -12  -32    5 o    4.109000      0.4952000       4.206000 0.6823000       4.013000      0.7179000      0.1931000      0.9904000
  1 1 1     -12  -32    6 o    2.710000      0.6229000       2.817000 0.8796000       2.602000      0.8823000      0.2144000       1.246000
  1 1 1     -12  -32    7 o    5.419000      0.3936000       5.860000 0.5493000       4.977000      0.5638000      0.8836000      0.7871000
  1 1 1     -12  -32    8 o    7.726000      0.3209000       7.867000 0.4818000       7.585000      0.4239000      0.2818000      0.6417000
  1 1 1     -12  -32    9 o    6.535000      0.3968000       6.838000 0.5703000       6.232000      0.5520000      0.6065000      0.7937000
  1 1 1     -12  -32   10 o    5.991000      0.4367000       6.520000 0.5777000       5.463000      0.6549000       1.057000      0.8733000
  1 1 1     -12  -32   11 o    4.368000      0.5873000       4.476000 0.8132000       4.260000      0.8475000      0.2159000       1.175000
  1 1 1     -12  -32   12 o    4.857000      0.4919000       5.090000 0.6564000       4.624000      0.7329000      0.4661000      0.9839000
  1 1 1     -12  -32   13 o    5.078000      0.5384000       5.558000 0.7110000       4.598000      0.8086000      0.9604000       1.077000
  1 1 1     -12  -32   14 o    4.293000      0.6179000       4.731000 0.8090000       3.855000      0.9343000      0.8766000       1.236000
  1 1 1     -12  -32   15 o    4.488000      0.7274000       4.994000 0.7362000       3.982000       1.255000       1.012000       1.455000
  1 1 1     -12  -32   16 o    3.049000      0.6416000       1.887000 0.8625000       4.211000      0.9501000      -2.324000       1.283000
  1 1 1     -12  -32   17 o    2.239000      0.6082000       2.981000 0.9707000       1.496000      0.7332000       1.484000       1.216000
  1 1 1     -12  -32   18 o    3.519000      0.7374000       3.539000 1.014000       3.498000       1.071000      0.4171000E-01   1.475000
  1 1 1     -12  -32   19 o    2.448000      0.7012000       2.644000 1.027000       2.253000      0.9549000      0.3917000       1.402000
  1 1 1     -12  -31    1 o    2.184000      0.5364000       1.641000 0.7557000       2.728000      0.7613000      -1.087000       1.073000
  1 1 1     -12  -31    2 o    4.488000      0.4423000       4.656000 0.6769000       4.321000      0.5694000      0.3351000      0.8845000
  1 1 1     -12  -31    3 o    3.682000      0.5342000       3.537000 0.7989000       3.827000      0.7095000     -0.2898000       1.068000
  1 1 1     -12  -31    4 o    2.732000      0.5827000       2.856000 0.8158000       2.608000      0.8323000      0.2481000       1.165000
  1 1 1     -12  -31    5 o    3.116000      0.5395000       3.817000 0.6877000       2.415000      0.8315000       1.402000       1.079000
  1 1 1     -12  -31    6 o    4.131000      0.4695000       2.970000 0.8023000       5.293000      0.4881000      -2.323000      0.9391000
  1 1 1     -12  -31    7 o    2.893000      0.5953000       2.864000 0.8523000       2.923000      0.8313000     -0.5888000E-01   1.191000
  1 1 1     -12  -31    8 o    2.021000      0.5773000       1.982000 0.8005000       2.060000      0.8321000     -0.7786000E-01   1.155000
  1 1 1     -12  -31    9 o    2.029000      0.5692000       1.594000 0.7244000       2.464000      0.8783000     -0.8694000       1.138000
  1 1 1     -12  -31   10 o    2.542000      0.6107000       2.277000 0.8362000       2.807000      0.8902000     -0.5297000       1.221000
  1 1 1     -12  -31   11 o    2.167000      0.5913000       1.587000 0.7385000       2.748000      0.9236000      -1.161000       1.183000
  1 1 1     -12  -31   12 o    3.147000      0.6507000       2.939000 0.9003000       3.356000      0.9396000     -0.4169000       1.301000
  1 1 1     -12  -31   13 o    3.053000      0.5855000       4.021000 0.7649000       2.086000      0.8867000       1.936000       1.171000
  1 1 1     -12  -31   14 o    2.189000      0.6007000       2.915000 0.9708000       1.462000      0.7077000       1.453000       1.201000
  1 1 1     -12  -31   15 o    2.112000      0.6304000       1.793000 0.8091000       2.431000      0.9669000     -0.6379000       1.261000
  1 1 1     -12  -31   16 o    6.555000      0.4061000       6.150000 0.5852000       6.960000      0.5632000     -0.8103000      0.8122000
  1 1 1     -12  -31   17 o    5.626000      0.7265000       5.626000 0.7265000                  ?              ?              ?              ?
  1 1 1     -12  -31   18 o    2.332000      0.6603000       2.517000 0.9465000       2.148000      0.9210000      0.3689000       1.321000
  1 1 1     -12  -31   19 o    2.102000      0.6346000       1.661000 0.7657000       2.543000       1.012000     -0.8819000       1.269000
  1 1 1     -12  -31   20 o    3.467000      0.6999000       4.030000 0.9585000       2.905000       1.020000       1.125000       1.400000
  1 1 1     -12  -31   21 o    2.866000       1.225000       2.866000 1.225000                  ?              ?              ?              ?
  1 1 1     -12  -30    1 o    6.655000      0.4750000       7.245000 0.6533000       6.064000      0.6897000       1.181000      0.9500000
  1 1 1     -12  -30    2 o    5.771000      0.4320000       5.239000 0.6573000       6.303000      0.5609000      -1.064000      0.8641000
  1 1 1     -12  -30    3 o    2.523000      0.6458000       2.390000 0.8678000       2.656000      0.9566000     -0.2664000       1.292000
  1 1 1     -12  -30    4 o    4.876000      0.4522000       4.907000 0.5913000       4.844000      0.6843000      0.6320000E-01  0.9043000
  1 1 1     -12  -30    5 o    4.490000      0.5110000       4.742000 0.6063000       4.238000      0.8228000      0.5035000       1.022000
  1 1 1     -12  -30    6 o    1.950000      0.5416000       1.604000 0.7177000       2.296000      0.8114000     -0.6920000       1.083000
  1 1 1     -12  -30    7 o    2.342000      0.5437000       1.543000 0.7094000       3.142000      0.8241000      -1.599000       1.087000
  1 1 1     -12  -30    8 o    4.459000      0.4315000       4.873000 0.5461000       4.045000      0.6683000      0.8278000      0.8631000
  1 1 1     -12  -30    9 o    1.826000      0.5471000       1.967000 0.7951000       1.685000      0.7517000      0.2818000       1.094000
  1 1 1     -12  -30   10 o    3.104000      0.5505000       2.285000 0.8333000       3.923000      0.7196000      -1.638000       1.101000
  1 1 1     -12  -30   11 o    2.147000      0.5933000       2.052000 0.7968000       2.243000      0.8791000     -0.1902000       1.187000
  1 1 1     -12  -30   12 o    3.525000      0.5156000       4.662000 0.5484000       2.388000      0.8733000       2.274000       1.031000
  1 1 1     -12  -30   13 o    2.717000      0.6090000       3.113000 0.8452000       2.321000      0.8771000      0.7920000       1.218000
  1 1 1     -12  -30   14 o    2.376000      0.6275000       2.050000 0.8385000       2.702000      0.9338000     -0.6524000       1.255000
  1 1 1     -12  -30   15 o    4.191000      0.5286000       4.602000 0.6311000       3.780000      0.8482000      0.8223000       1.057000
  1 1 1     -12  -30   16 o    3.456000      0.6350000       2.772000 0.9335000       4.139000      0.8612000      -1.368000       1.270000
  1 1 1     -12  -30   17 o    2.692000      0.9166000       2.692000 0.9166000                  ?              ?              ?              ?
  1 1 1     -12  -30   18 o    5.550000      0.5248000       4.986000 0.8206000       6.113000      0.6544000      -1.127000       1.050000
  1 1 1     -12  -30   19 o    3.547000       1.019000                  ?       ?   3.547000       1.019000                  ?              ?
  1 1 1     -12  -30   20 o    4.335000      0.6432000       4.154000 0.9457000       4.515000      0.8721000     -0.3613000       1.286000
  1 1 1     -12  -30   21 o    2.040000      0.6258000       2.227000 0.9347000       1.853000      0.8323000      0.3735000       1.252000
  1 1 1     -12  -30   22 o    2.588000      0.6353000       3.456000 0.9852000       1.721000      0.8023000       1.735000       1.271000
  1 1 1     -12  -29    1 o    5.642000      0.3236000       5.109000 0.5281000       6.175000      0.3742000      -1.066000      0.6472000
  1 1 1     -12  -29    2 o    1.520000      0.4600000       1.990000 0.7616000       1.050000      0.5161000      0.9403000      0.9200000
  1 1 1     -12  -29    3 o    4.130000      0.4150000       3.214000 0.6980000       5.047000      0.4490000      -1.834000      0.8299000
  1 1 1     -12  -29    4 o    6.872000      0.2611000       6.869000 0.3740000       6.876000      0.3645000     -0.6580000E-02  0.5223000
  1 1 1     -12  -29    5 o    5.697000      0.3127000       5.925000 0.4459000       5.469000      0.4384000      0.4561000      0.6253000
  1 1 1     -12  -29    6 o    3.181000      0.5087000       3.826000 0.6011000       2.537000      0.8208000       1.289000       1.017000
  1 1 1     -12  -29    7 o    5.433000      0.3631000       5.447000 0.4027000       5.420000      0.6044000      0.2708000E-01  0.7262000
  1 1 1     -12  -29    8 o    1.816000      0.5483000       1.425000 0.6548000       2.207000      0.8797000     -0.7817000       1.097000
  1 1 1     -12  -29    9 o    4.164000      0.5336000       4.892000 0.5258000       3.436000      0.9286000       1.456000       1.067000
  1 1 1     -12  -29   10 o    3.237000      0.6408000       2.818000 0.8680000       3.656000      0.9428000     -0.8378000       1.282000
  1 1 1     -12  -29   11 o    8.578000      0.2958000       8.766000 0.4303000       8.390000      0.4061000      0.3764000      0.5916000
  1 1 1     -12  -29   12 f    3.828000      0.5256000       4.757000 0.5404000       2.900000      0.9015000       1.856000       1.051000
  1 1 1     -12  -29   13 o    2.261000      0.5849000       1.969000 0.7756000       2.553000      0.8756000     -0.5845000       1.170000
  1 1 1     -12  -29   14 o    2.932000      0.5652000       2.632000 0.7849000       3.231000      0.8135000     -0.5998000       1.130000
  1 1 1     -12  -29   15 o    1.889000      0.5651000       2.169000 0.8498000       1.609000      0.7449000      0.5593000       1.130000
  1 1 1     -12  -29   16 o    3.511000      0.6437000       3.154000 0.9153000       3.869000      0.9053000     -0.7153000       1.287000
  1 1 1     -12  -29   17 o    4.128000      0.5631000       5.517000 0.5656000       2.739000      0.9738000       2.778000       1.126000
  1 1 1     -12  -29   18 o    3.544000      0.6525000       2.919000 0.9751000       4.170000      0.8673000      -1.251000       1.305000
  1 1 1     -12  -29   19 o    2.714000      0.6693000       2.116000 0.8727000       3.311000       1.015000      -1.195000       1.339000
  1 1 1     -12  -29   20 o    3.192000      0.7071000       3.665000 0.9872000       2.718000       1.013000      0.9468000       1.414000
  1 1 1     -12  -29   21 o    2.362000      0.6637000       2.653000 0.9812000       2.070000      0.8938000      0.5822000       1.327000
  1 1 1     -12  -29   22 f    2.885000      0.6702000       2.447000 0.9190000       3.323000      0.9756000     -0.8753000       1.340000
  1 1 1     -12  -29   23 o    3.801000      0.6756000       4.140000 0.8965000       3.463000       1.011000      0.6771000       1.351000
  1 1 1     -12  -28    1 o    1.475000      0.4596000       1.567000 0.6852000       1.383000      0.6128000      0.1842000      0.9193000
  1 1 1     -12  -28    2 o    3.025000      0.6254000       3.818000 1.042000       2.232000      0.6911000       1.586000       1.251000
  1 1 1     -12  -28    3 o    3.625000      0.6379000       3.093000 1.048000       4.156000      0.7275000      -1.063000       1.276000
  1 1 1     -12  -28    4 f    6.455000      0.4459000       6.440000 0.7293000       6.470000      0.5134000     -0.3083000E-01  0.8919000
  1 1 1     -12  -28    5 o    5.043000      0.5535000       5.786000 0.8181000       4.301000      0.7459000       1.485000       1.107000
  1 1 1     -12  -28    6 o    3.550000      0.6063000       2.438000 1.018000       4.661000      0.6586000      -2.223000       1.213000
  1 1 1     -12  -28    7 f    6.755000      0.3432000       6.818000 0.3540000       6.691000      0.5881000      0.1267000      0.6865000
  1 1 1     -12  -28    8 o    2.727000      0.5090000       3.406000 0.6369000       2.049000      0.7941000       1.357000       1.018000
  1 1 1     -12  -28    9 o    2.121000      0.5582000       2.022000 0.7608000       2.219000      0.8170000     -0.1969000       1.116000
  1 1 1     -12  -28   10 o    5.921000      0.3257000       5.910000 0.4313000       5.932000      0.4882000     -0.2204000E-01  0.6515000
  1 1 1     -12  -28   11 o    8.345000      0.2686000       8.054000 0.3672000       8.636000      0.3921000     -0.5817000      0.5372000
  1 1 1     -12  -28   12 o    2.978000      0.6623000       2.160000 0.8138000       3.796000       1.045000      -1.636000       1.325000
  1 1 1     -12  -28   13 o    1.939000      0.5881000       1.454000 0.6650000       2.425000      0.9702000     -0.9711000       1.176000
  1 1 1     -12  -28   14 o    4.473000      0.5500000       4.499000 0.5878000       4.447000      0.9297000      0.5251000E-01   1.100000
  1 1 1     -12  -28   15 o    3.870000      0.5403000       3.504000 0.7672000       4.236000      0.7610000     -0.7320000       1.081000
  1 1 1     -12  -28   16 o    3.109000      0.6059000       2.466000 0.8847000       3.753000      0.8280000      -1.287000       1.212000
  1 1 1     -12  -28   17 o    3.327000      0.6088000       3.305000 0.8511000       3.350000      0.8707000     -0.4461000E-01   1.218000
  1 1 1     -12  -28   18 o    2.260000      0.6407000       2.528000 0.9408000       1.992000      0.8701000      0.5360000       1.281000
  1 1 1     -12  -28   19 o    3.644000      0.6321000       3.391000 0.9196000       3.896000      0.8674000     -0.5051000       1.264000
  1 1 1     -12  -28   20 o    2.846000      0.6490000       2.170000 0.9164000       3.522000      0.9194000      -1.352000       1.298000
  1 1 1     -12  -28   21 o    4.222000      0.5861000       3.488000 0.9317000       4.957000      0.7114000      -1.469000       1.172000
  1 1 1     -12  -28   22 o    2.972000      0.6561000       3.581000 0.9070000       2.363000      0.9483000       1.219000       1.312000
  1 1 1     -12  -28   23 o    4.426000      0.6044000       4.666000 0.7741000       4.186000      0.9285000      0.4794000       1.209000
  1 1 1     -12  -28   24 o    3.729000      0.6565000       3.660000 0.9537000       3.799000      0.9024000     -0.1388000       1.313000
  1 1 1     -12  -28   25 o    2.308000      0.7332000       2.165000 0.9987000       2.450000       1.074000     -0.2856000       1.466000
  1 1 1     -12  -27    1 o    3.282000      0.4023000       3.751000 0.5031000       2.813000      0.6278000      0.9384000      0.8045000
  1 1 1     -12  -27    2 o    1.592000      0.4397000       1.031000 0.5042000       2.152000      0.7205000      -1.121000      0.8795000
  1 1 1     -12  -27    3 o    3.239000      0.4283000       3.870000 0.5239000       2.608000      0.6778000       1.262000      0.8566000
  1 1 1     -12  -27    4 o    6.567000      0.2387000       6.572000 0.3246000       6.562000      0.3499000      0.9353000E-02  0.4773000
  1 1 1     -12  -27    5 o    10.11000      0.2294000       9.525000 0.3287000       10.69000      0.3201000      -1.163000      0.4588000
  1 1 1     -12  -27    6 o    1.772000      0.4793000       1.334000 0.6143000       2.210000      0.7360000     -0.8766000      0.9587000
  1 1 1     -12  -27    7 o    7.669000      0.2421000       7.666000 0.3409000       7.672000      0.3439000     -0.5882000E-02  0.4842000
  1 1 1     -12  -27    8 o    5.077000      0.5634000       5.294000 1.022000       4.861000      0.4741000      0.4329000       1.127000
  1 1 1     -12  -27    9 o    2.814000      0.6710000       2.290000 1.015000       3.337000      0.8782000      -1.047000       1.342000
  1 1 1     -12  -27   10 o    2.684000      0.7195000       2.492000 1.080000       2.875000      0.9516000     -0.3834000       1.439000
  1 1 1     -12  -27   11 o    11.18000      0.3947000       10.95000 0.6159000       11.41000      0.4938000     -0.4623000      0.7894000
  1 1 1     -12  -27   12 o    2.498000      0.5627000       2.389000 0.7503000       2.607000      0.8389000     -0.2183000       1.125000
  1 1 1     -12  -27   13 o    4.926000      0.3678000       4.816000 0.4902000       5.036000      0.5484000     -0.2199000      0.7355000
  1 1 1     -12  -27   14 o    1.846000      0.5268000       1.279000 0.6180000       2.413000      0.8533000      -1.133000       1.054000
  1 1 1     -12  -27   15 o    3.484000      0.5285000       3.225000 0.8196000       3.744000      0.6674000     -0.5188000       1.057000
  1 1 1     -12  -27   17 f    2.778000      0.6949000       2.998000 0.9259000       2.557000       1.036000      0.4406000       1.390000
  1 1 1     -12  -27   18 o    4.764000      0.6636000       4.764000 0.6636000                  ?              ?              ?              ?
  1 1 1     -12  -27   19 o    3.308000      0.5860000       4.027000 0.7114000       2.590000      0.9313000       1.436000       1.172000
  1 1 1     -12  -27   20 f    2.075000      0.5947000       2.318000 0.8564000       1.831000      0.8254000      0.4865000       1.189000
  1 1 1     -12  -27   21 o    7.834000      0.3397000       8.110000 0.4647000       7.558000      0.4958000      0.5516000      0.6795000
  1 1 1     -12  -27   22 o    5.532000      0.4630000       5.278000 0.6504000       5.786000      0.6593000     -0.5078000      0.9261000
  1 1 1     -12  -27   23 o    4.020000      0.5821000       3.478000 0.8732000       4.562000      0.7700000      -1.083000       1.164000
  1 1 1     -12  -27   24 o    2.441000      0.6237000       2.861000 0.9186000       2.021000      0.8439000      0.8394000       1.247000
  1 1 1     -12  -27   25 o    4.026000      0.6017000       3.896000 0.8537000       4.157000      0.8483000     -0.2603000       1.203000
  1 1 1     -12  -27   26 o    2.242000      0.6508000       2.578000 0.9760000       1.907000      0.8611000      0.6709000       1.302000
  1 1 1     -12  -26    1 o    5.827000      0.2415000       5.396000 0.3527000       6.259000      0.3299000     -0.8632000      0.4830000
  1 1 1     -12  -26    2 o    4.504000      0.3063000       4.150000 0.4732000       4.857000      0.3890000     -0.7067000      0.6126000
  1 1 1     -12  -26    3 o    1.568000      0.4629000       1.548000 0.6373000       1.588000      0.6716000     -0.4028000E-01  0.9259000
  1 1 1     -12  -26    4 o    3.064000      0.4331000       2.410000 0.6913000       3.718000      0.5219000      -1.308000      0.8662000
  1 1 1     -12  -26    5 o    6.071000      0.2432000       6.077000 0.3274000       6.065000      0.3598000      0.1156000E-01  0.4865000
  1 1 1     -12  -26    6 o    4.075000      0.3546000       4.200000 0.4566000       3.950000      0.5426000      0.2496000      0.7092000
  1 1 1     -12  -26    7 o    4.925000      0.3068000       5.143000 0.4145000       4.708000      0.4523000      0.4345000      0.6135000
  1 1 1     -12  -26    8 o    2.414000      0.5035000       2.791000 0.6502000       2.037000      0.7689000      0.7546000       1.007000
  1 1 1     -12  -26    9 o    2.448000      0.5241000       2.528000 0.6830000       2.368000      0.7952000      0.1597000       1.048000
  1 1 1     -12  -26   10 o    3.671000      0.4454000       3.848000 0.5265000       3.494000      0.7185000      0.3544000      0.8908000
  1 1 1     -12  -26   11 o    8.326000      0.2566000       8.068000 0.3617000       8.585000      0.3641000     -0.5167000      0.5133000
  1 1 1     -12  -26   12 o    3.191000      0.7165000       3.465000 1.205000       2.916000      0.7751000      0.5485000       1.433000
  1 1 1     -12  -26   13 o    3.885000      0.7258000       4.156000 1.147000       3.614000      0.8894000      0.5421000       1.452000
  1 1 1     -12  -26   14 o    4.319000      0.7936000       4.677000 1.292000       3.961000      0.9225000      0.7164000       1.587000
  1 1 1     -12  -26   15 o    3.524000      0.5254000       3.674000 0.7109000       3.375000      0.7739000      0.2992000       1.051000
  1 1 1     -12  -26   16 o    8.070000      0.3060000       7.974000 0.4327000       8.166000      0.4328000     -0.1918000      0.6120000
  1 1 1     -12  -26   17 o    4.245000      0.5295000       5.102000 0.5297000       3.388000      0.9169000       1.714000       1.059000
  1 1 1     -12  -26   18 o    4.247000      0.6574000       4.247000 0.6574000                  ?              ?              ?              ?
  1 1 1     -12  -26   19 o    6.753000      0.5429000       7.272000 0.5398000       6.233000      0.9422000       1.039000       1.086000
  1 1 1     -12  -26   20 o    2.588000       1.075000                  ?       ?   2.588000       1.075000                  ?              ?
  1 1 1     -12  -26   21 o    5.363000      0.4354000       5.077000 0.6375000       5.649000      0.5932000     -0.5715000      0.8708000
  1 1 1     -12  -26   22 o    2.696000      0.6726000       2.825000 0.9398000       2.566000      0.9624000      0.2583000       1.345000
  1 1 1     -12  -26   23 o    2.724000      0.6518000       3.036000 0.8908000       2.413000      0.9519000      0.6234000       1.304000
  1 1 1     -12  -26   24 o    2.613000      0.6652000       2.799000 0.9348000       2.427000      0.9465000      0.3723000       1.330000
  1 1 1     -12  -26   25 o    2.134000      0.6264000       2.111000 0.8813000       2.156000      0.8905000     -0.4556000E-01   1.253000
  1 1 1     -12  -26   26 o    1.990000      0.6088000       2.010000 0.8608000       1.969000      0.8612000      0.4126000E-01   1.218000
  1 1 1     -12  -26   27 o    2.431000      0.6686000       2.439000 0.9317000       2.424000      0.9592000      0.1494000E-01   1.337000
  1 1 1     -12  -25    1 o    8.410000      0.2116000       8.258000 0.3056000       8.562000      0.2929000     -0.3043000      0.4233000
  1 1 1     -12  -25    2 o    3.992000      0.3044000       4.223000 0.3880000       3.760000      0.4691000      0.4621000      0.6087000
  1 1 1     -12  -25    3 o    3.593000      0.3277000       3.491000 0.4424000       3.696000      0.4835000     -0.2049000      0.6553000
  1 1 1     -12  -25    4 o    1.581000      0.4437000       1.894000 0.6636000       1.269000      0.5893000      0.6246000      0.8875000
  1 1 1     -12  -25    5 o    12.38000      0.2250000       12.23000 0.3196000       12.53000      0.3167000     -0.3010000      0.4500000
  1 1 1     -12  -25    6 o    8.828000      0.2282000       8.989000 0.3191000       8.667000      0.3263000      0.3220000      0.4564000
  1 1 1     -12  -25    7 o    3.551000      0.3895000       3.653000 0.5215000       3.449000      0.5787000      0.2032000      0.7790000
  1 1 1     -12  -25    8 o    7.043000      0.2447000       7.062000 0.3310000       7.024000      0.3605000      0.3810000E-01  0.4894000
  1 1 1     -12  -25    9 o    3.880000      0.4258000       4.614000 0.4293000       3.145000      0.7355000       1.469000      0.8516000
  1 1 1     -12  -25   10 o    6.251000      0.2879000       6.377000 0.3927000       6.125000      0.4213000      0.2525000      0.5759000
  1 1 1     -12  -25   11 o    2.988000      0.5415000       2.879000 0.7630000       3.097000      0.7687000     -0.2177000       1.083000
  1 1 1     -12  -25   12 o    2.676000      0.5615000       2.508000 0.7832000       2.845000      0.8048000     -0.3369000       1.123000
  1 1 1     -12  -25   13 o    3.042000      0.5566000       2.720000 0.8003000       3.364000      0.7737000     -0.6439000       1.113000
  1 1 1     -12  -25   14 o    1.933000      0.5308000       1.532000 0.6716000       2.334000      0.8222000     -0.8018000       1.062000
  1 1 1     -12  -25   15 o    3.180000      0.4866000       3.563000 0.5046000       2.796000      0.8321000      0.7669000      0.9732000
  1 1 1     -12  -25   16 o    3.189000      0.7716000       3.088000 1.181000       3.291000      0.9935000     -0.2026000       1.543000
  1 1 1     -12  -25   17 o    2.291000      0.7277000       2.509000 1.118000       2.073000      0.9321000      0.4358000       1.455000
  1 1 1     -12  -25   18 o    5.362000      0.4275000       5.713000 0.5065000       5.011000      0.6888000      0.7020000      0.8550000
  1 1 1     -12  -25   19 o    2.306000      0.6221000       2.263000 0.8648000       2.348000      0.8946000     -0.8462000E-01   1.244000
  1 1 1     -12  -25   20 o    3.191000      0.5827000       3.529000 0.7089000       2.853000      0.9249000      0.6764000       1.165000
  1 1 1     -12  -25   21 o    4.976000      0.6776000       5.324000 0.7399000       4.628000       1.135000      0.6955000       1.355000
  1 1 1     -12  -25   22 o    3.910000      0.6732000       4.636000 0.7130000       3.184000       1.142000       1.452000       1.346000
  1 1 1     -12  -25   23 o    3.013000      0.5937000       2.053000 0.8400000       3.973000      0.8392000      -1.920000       1.187000
  1 1 1     -12  -25   24 o    2.312000      0.6498000       2.283000 0.8966000       2.342000      0.9408000     -0.5945000E-01   1.300000
  1 1 1     -12  -25   25 o    2.493000      0.6827000       2.581000 0.9604000       2.406000      0.9706000      0.1750000       1.365000
  1 1 1     -12  -25   26 o    2.963000      0.6546000       3.333000 0.8945000       2.592000      0.9558000      0.7407000       1.309000
  1 1 1     -12  -25   27 o    2.462000      0.6478000       2.384000 0.8943000       2.539000      0.9374000     -0.1559000       1.296000
  1 1 1     -12  -25   28 o    2.228000      0.6164000       1.744000 0.7925000       2.713000      0.9444000     -0.9696000       1.233000
  1 1 1     -12  -24    1 o    2.274000      0.4590000       2.168000 0.6349000       2.381000      0.6631000     -0.2122000      0.9180000
  1 1 1     -12  -24    2 o    2.829000      0.3958000       3.146000 0.4581000       2.513000      0.6455000      0.6337000      0.7916000
  1 1 1     -12  -24    3 o    3.887000      0.3247000       4.149000 0.4254000       3.626000      0.4907000      0.5228000      0.6494000
  1 1 1     -12  -24    4 o    4.455000      0.2968000       4.306000 0.4106000       4.604000      0.4288000     -0.2977000      0.5937000
  1 1 1     -12  -24    5 o    9.124000      0.2125000       9.190000 0.3008000       9.057000      0.3001000      0.1327000      0.4249000
  1 1 1     -12  -24    6 f    6.237000      0.2544000       6.080000 0.3445000       6.393000      0.3744000     -0.3127000      0.5088000
  1 1 1     -12  -24    7 o    2.256000      0.5029000       2.024000 0.6903000       2.489000      0.7317000     -0.4648000       1.006000
  1 1 1     -12  -24    8 o    6.910000      0.2443000       6.835000 0.3343000       6.984000      0.3564000     -0.1493000      0.4886000
  1 1 1     -12  -24    9 f    3.841000      0.4249000       3.407000 0.6479000       4.274000      0.5497000     -0.8670000      0.8497000
  1 1 1     -12  -24   10 o    4.214000      0.3857000       4.210000 0.5267000       4.217000      0.5636000     -0.7424000E-02  0.7714000
  1 1 1     -12  -24   11 o    4.700000      0.3491000       4.460000 0.4955000       4.941000      0.4918000     -0.4817000      0.6981000
  1 1 1     -12  -24   12 o    1.491000      0.4664000       1.808000 0.7349000       1.173000      0.5744000      0.6351000      0.9328000
  1 1 1     -12  -24   13 o    6.335000      0.2984000       5.834000 0.4275000       6.835000      0.4163000      -1.002000      0.5967000
  1 1 1     -12  -24   14 o    5.721000      0.3361000       5.563000 0.4757000       5.878000      0.4748000     -0.3152000      0.6721000
  1 1 1     -12  -24   15 o    5.024000      0.3729000       4.820000 0.5140000       5.227000      0.5403000     -0.4066000      0.7458000
  1 1 1     -12  -24   16 o    3.873000      0.5142000       3.909000 0.6617000       3.836000      0.7873000      0.7352000E-01   1.028000
  1 1 1     -12  -24   17 o    6.807000      0.3139000       6.768000 0.4235000       6.847000      0.4636000     -0.7869000E-01  0.6279000
  1 1 1     -12  -24   18 o    2.319000      0.7245000       2.293000 1.059000       2.344000      0.9893000     -0.5072000E-01   1.449000
  1 1 1     -12  -24   19 o    4.754000      0.6952000       6.290000 0.9500000       3.218000       1.015000       3.072000       1.390000
  1 1 1     -12  -24   20 o    1.724000      0.5391000       2.013000 0.8320000       1.434000      0.6858000      0.5785000       1.078000
  1 1 1     -12  -24   21 o    5.045000      0.4405000       4.546000 0.6347000       5.545000      0.6111000     -0.9984000      0.8811000
  1 1 1     -12  -24   22 o    3.075000      0.6397000       2.501000 0.8976000       3.648000      0.9116000      -1.147000       1.279000
  1 1 1     -12  -24   23 o    2.333000      0.6612000       2.701000 0.9495000       1.965000      0.9203000      0.7366000       1.322000
  1 1 1     -12  -24   24 o    2.097000      0.6570000       1.897000 0.8314000       2.297000       1.018000     -0.3998000       1.314000
  1 1 1     -12  -24   25 o    3.836000      0.6155000       4.248000 0.7855000       3.423000      0.9478000      0.8258000       1.231000
  1 1 1     -12  -24   26 o    6.769000      0.4159000       7.056000 0.5430000       6.481000      0.6300000      0.5751000      0.8317000
  1 1 1     -12  -24   27 o    2.666000      0.6773000       3.028000 0.9658000       2.303000      0.9498000      0.7249000       1.355000
  1 1 1     -12  -24   28 o    1.944000      0.6013000       1.735000 0.7947000       2.153000      0.9027000     -0.4181000       1.203000
  1 1 1     -12  -24   29 o    2.277000      0.7161000       2.415000 1.030000       2.139000      0.9953000      0.2761000       1.432000
  1 1 1     -12  -23    1 f    7.411000      0.1961000       7.158000 0.2765000       7.663000      0.2781000     -0.5051000      0.3922000
  1 1 1     -12  -23    2 o    4.039000      0.2759000       4.147000 0.3531000       3.932000      0.4241000      0.2147000      0.5518000
  1 1 1     -12  -23    3 o    9.789000      0.2089000       9.359000 0.2969000       10.22000      0.2940000     -0.8609000      0.4178000
  1 1 1     -12  -23    4 f    9.139000      0.2185000       8.995000 0.3108000       9.284000      0.3072000     -0.2881000      0.4370000
  1 1 1     -12  -23    5 o    1.642000      0.4577000       1.780000 0.6390000       1.504000      0.6554000      0.2753000      0.9154000
  1 1 1     -12  -23    6 o    5.262000      0.2708000       4.900000 0.3981000       5.624000      0.3671000     -0.7243000      0.5415000
  1 1 1     -12  -23    7 o    5.505000      0.2706000       5.792000 0.3500000       5.219000      0.4129000      0.5729000      0.5412000
  1 1 1     -12  -23    8 o    4.332000      0.3632000       4.679000 0.4545000       3.986000      0.5668000      0.6930000      0.7265000
  1 1 1     -12  -23    9 o    5.327000      0.3024000       5.265000 0.4210000       5.389000      0.4343000     -0.1231000      0.6048000
  1 1 1     -12  -23   10 o    6.948000      0.2558000       6.847000 0.3468000       7.049000      0.3761000     -0.2013000      0.5116000
  1 1 1     -12  -23   11 o    2.062000      0.5411000       1.763000 0.7104000       2.360000      0.8165000     -0.5971000       1.082000
  1 1 1     -12  -23   12 o    4.786000      0.3564000       4.638000 0.4797000       4.935000      0.5273000     -0.2963000      0.7129000
  1 1 1     -12  -23   13 o    2.940000      0.5295000       2.854000 0.7141000       3.025000      0.7820000     -0.1711000       1.059000
  1 1 1     -12  -23   14 o    9.622000      0.2559000       9.770000 0.3492000       9.475000      0.3742000      0.2941000      0.5118000
  1 1 1     -12  -23   15 o    2.089000      0.5415000       2.324000 0.7530000       1.855000      0.7783000      0.4687000       1.083000
  1 1 1     -12  -23   16 o    2.915000      0.5615000       2.534000 0.7801000       3.296000      0.8079000     -0.7620000       1.123000
  1 1 1     -12  -23   17 o    2.201000      0.5941000       2.308000 0.8296000       2.093000      0.8508000      0.2148000       1.188000
  1 1 1     -12  -23   18 o    3.240000      0.5772000       3.460000 0.7682000       3.019000      0.8617000      0.4410000       1.154000
  1 1 1     -12  -23   19 o    4.444000      0.5377000       5.511000 0.5205000       3.377000      0.9411000       2.134000       1.075000
  1 1 1     -12  -23   20 o    8.386000      0.4601000       7.883000 0.7499000       8.889000      0.5333000      -1.006000      0.9202000
  1 1 1     -12  -23   21 o    8.625000      0.4835000       8.209000 0.7862000       9.041000      0.5630000     -0.8320000      0.9670000
  1 1 1     -12  -23   22 o    2.865000      0.6299000       2.815000 0.8497000       2.915000      0.9300000     -0.1007000       1.260000
  1 1 1     -12  -23   23 o    2.865000      0.6197000       2.191000 0.8581000       3.539000      0.8942000      -1.348000       1.239000
  1 1 1     -12  -23   24 o    2.715000      0.7414000       2.031000 0.8469000       3.399000       1.217000      -1.368000       1.483000
  1 1 1     -12  -23   25 o    4.656000      0.7079000       4.346000 0.8761000       4.966000       1.112000     -0.6197000       1.416000
  1 1 1     -12  -23   26 o    3.629000      0.6278000       2.929000 0.9015000       4.329000      0.8739000      -1.400000       1.256000
  1 1 1     -12  -23   27 o    2.106000      0.6173000       2.207000 0.8658000       2.005000      0.8801000      0.2018000       1.235000
  1 1 1     -12  -23   28 o    4.208000      0.5721000       4.470000 0.7416000       3.946000      0.8712000      0.5234000       1.144000
  1 1 1     -12  -23   29 o    4.954000      0.4752000       4.290000 0.7175000       5.619000      0.6233000      -1.329000      0.9505000
  1 1 1     -12  -22    1 o    9.573000      0.1929000       9.301000 0.2750000       9.844000      0.2706000     -0.5425000      0.3858000
  1 1 1     -12  -22    2 o    8.167000      0.1958000       7.872000 0.2747000       8.462000      0.2791000     -0.5902000      0.3916000
  1 1 1     -12  -22    3 o    7.777000      0.1997000       8.042000 0.2759000       7.512000      0.2887000      0.5300000      0.3993000
  1 1 1     -12  -22    4 o    4.342000      0.2814000       4.909000 0.3504000       3.775000      0.4403000       1.134000      0.5627000
  1 1 1     -12  -22    5 o    6.924000      0.2261000       7.173000 0.2980000       6.674000      0.3400000      0.4990000      0.4521000
  1 1 1     -12  -22    6 f    4.714000      0.2885000       4.472000 0.3881000       4.956000      0.4271000     -0.4841000      0.5770000
  1 1 1     -12  -22    7 o    3.389000      0.4093000       3.134000 0.5968000       3.644000      0.5602000     -0.5102000      0.8186000
  1 1 1     -12  -22    8 o    1.980000      0.4970000       2.220000 0.6898000       1.739000      0.7156000      0.4809000      0.9939000
  1 1 1     -12  -22    9 o    3.588000      0.4187000       3.267000 0.6214000       3.909000      0.5613000     -0.6416000      0.8373000
  1 1 1     -12  -22   10 o    9.632000      0.2328000       9.526000 0.3272000       9.738000      0.3311000     -0.2115000      0.4655000
  1 1 1     -12  -22   11 o    7.321000      0.2583000       7.351000 0.3560000       7.291000      0.3742000      0.5918000E-01  0.5165000
  1 1 1     -12  -22   12 o    2.398000      0.5296000       2.139000 0.7219000       2.657000      0.7750000     -0.5178000       1.059000
  1 1 1     -12  -22   13 o    3.260000      0.4902000       2.737000 0.6885000       3.783000      0.6979000      -1.046000      0.9804000
  1 1 1     -12  -22   14 o    7.229000      0.2830000       7.388000 0.3740000       7.071000      0.4248000      0.3174000      0.5660000
  1 1 1     -12  -22   15 o    4.437000      0.3841000       4.061000 0.5580000       4.814000      0.5282000     -0.7526000      0.7683000
  1 1 1     -12  -22   16 o    2.699000      0.5780000       2.704000 0.7712000       2.693000      0.8611000      0.1055000E-01   1.156000
  1 1 1     -12  -22   17 o    4.703000      0.4016000       4.950000 0.5004000       4.455000      0.6283000      0.4943000      0.8033000
  1 1 1     -12  -22   18 o    8.400000      0.2743000       8.411000 0.3796000       8.390000      0.3961000      0.2084000E-01  0.5486000
  1 1 1     -12  -22   19 o    1.827000      0.7758000       1.827000 0.7758000                  ?              ?              ?              ?
  1 1 1     -12  -22   20 o    5.481000      0.4000000       5.233000 0.5916000       5.728000      0.5386000     -0.4945000      0.8000000
  1 1 1     -12  -22   21 o    6.490000      0.5328000                  ?       ?   6.490000      0.5328000                  ?              ?
  1 1 1     -12  -22   22 o    10.04000      0.4490000       8.973000 0.7204000       11.10000      0.5360000      -2.131000      0.8979000
  1 1 1     -12  -22   23 o    4.841000      0.6771000       5.858000 0.9316000       3.823000      0.9827000       2.035000       1.354000
  1 1 1     -12  -22   24 o    5.350000      0.4418000       5.363000 0.5899000       5.336000      0.6578000      0.2714000E-01  0.8836000
  1 1 1     -12  -22   25 o    2.604000      0.6721000       2.698000 0.9159000       2.509000      0.9840000      0.1892000       1.344000
  1 1 1     -12  -22   26 o    2.335000      0.6795000       2.693000 0.9820000       1.976000      0.9395000      0.7178000       1.359000
  1 1 1     -12  -22   27 o    2.583000      0.7392000       2.088000 0.9072000       3.078000       1.167000     -0.9907000       1.478000
  1 1 1     -12  -22   28 o    4.166000      0.5733000       3.934000 0.7959000       4.397000      0.8253000     -0.4624000       1.147000
  1 1 1     -12  -22   29 o    1.997000      0.6092000       2.019000 0.8558000       1.976000      0.8672000      0.4296000E-01   1.218000
  1 1 1     -12  -22   30 o    3.150000      0.6151000       2.190000 0.8908000       4.110000      0.8483000      -1.919000       1.230000
  1 1 1     -12  -21    1 o    4.769000      0.2884000       4.374000 0.3670000       5.164000      0.4451000     -0.7891000      0.5769000
  1 1 1     -12  -21    2 o    9.033000      0.2039000       9.128000 0.2877000       8.939000      0.2890000      0.1889000      0.4078000
  1 1 1     -12  -21    3 o    3.538000      0.3365000       3.030000 0.5084000       4.047000      0.4411000      -1.017000      0.6731000
  1 1 1     -12  -21    4 o    6.277000      0.2329000       5.768000 0.3328000       6.787000      0.3258000      -1.020000      0.4657000
  1 1 1     -12  -21    5 o    3.333000      0.3684000       3.086000 0.5127000       3.580000      0.5293000     -0.4935000      0.7369000
  1 1 1     -12  -21    6 o    4.916000      0.2769000       5.237000 0.3708000       4.595000      0.4113000      0.6420000      0.5538000
  1 1 1     -12  -21    7 o    7.218000      0.2303000       7.218000 0.3275000       7.218000      0.3240000      0.2432000E-03  0.4607000
  1 1 1     -12  -21    8 o    7.737000      0.2263000       7.709000 0.3225000       7.765000      0.3177000     -0.5627000E-01  0.4527000
  1 1 1     -12  -21    9 o    2.323000      0.4892000       2.828000 0.6479000       1.819000      0.7332000       1.009000      0.9784000
  1 1 1     -12  -21   10 o    3.747000      0.4141000       3.485000 0.6101000       4.009000      0.5601000     -0.5245000      0.8283000
  1 1 1     -12  -21   11 o    4.475000      0.3536000       4.125000 0.4967000       4.824000      0.5033000     -0.6999000      0.7071000
  1 1 1     -12  -21   12 o    6.355000      0.2886000       6.074000 0.3894000       6.637000      0.4262000     -0.5621000      0.5773000
  1 1 1     -12  -21   13 o    7.472000      0.2648000       8.084000 0.3405000       6.859000      0.4057000       1.224000      0.5296000
  1 1 1     -12  -21   14 f    10.83000      0.2480000       10.75000 0.3496000       10.90000      0.3518000     -0.1514000      0.4960000
  1 1 1     -12  -21   15 o    2.980000      0.5357000       2.978000 0.7194000       2.982000      0.7939000     -0.4157000E-02   1.071000
  1 1 1     -12  -21   16 o    3.699000      0.4681000       4.015000 0.5629000       3.383000      0.7481000      0.6318000      0.9362000
  1 1 1     -12  -21   17 o    3.525000      0.5258000       2.957000 0.7718000       4.093000      0.7144000      -1.136000       1.052000
  1 1 1     -12  -21   18 o    12.45000      0.2612000       11.90000 0.3629000       13.00000      0.3758000      -1.095000      0.5224000
  1 1 1     -12  -21   19 o    2.299000      0.5819000       2.550000 0.8636000       2.047000      0.7801000      0.5032000       1.164000
  1 1 1     -12  -21   20 o    3.705000      0.5675000       3.497000 0.8388000       3.912000      0.7645000     -0.4150000       1.135000
  1 1 1     -12  -21   21 o    9.470000      0.4130000                  ?       ?   9.470000      0.4130000                  ?              ?
  1 1 1     -12  -21   22 f    7.744000      0.3129000       7.845000 0.4188000       7.643000      0.4650000      0.2015000      0.6258000
  1 1 1     -12  -21   23 o    5.140000      0.3921000       4.351000 0.5720000       5.929000      0.5364000      -1.578000      0.7841000
  1 1 1     -12  -21   24 o    2.969000      0.8013000       3.753000 1.278000       2.185000      0.9662000       1.569000       1.603000
  1 1 1     -12  -21   25 o    2.588000      0.6164000       1.812000 0.7998000       3.364000      0.9382000      -1.552000       1.233000
  1 1 1     -12  -21   26 o    2.079000      0.5845000       1.320000 0.6431000       2.837000      0.9763000      -1.517000       1.169000
  1 1 1     -12  -21   27 o    2.732000      0.6918000       1.364000 0.6452000       4.100000       1.224000      -2.736000       1.384000
  1 1 1     -12  -21   28 o    3.893000      0.7851000       3.617000 1.059000       4.169000       1.160000     -0.5521000       1.570000
  1 1 1     -12  -21   29 o    6.256000      0.4189000       5.814000 0.6167000       6.698000      0.5671000     -0.8833000      0.8378000
  1 1 1     -12  -21   30 o    2.628000      0.6764000       2.737000 0.9572000       2.519000      0.9559000      0.2180000       1.353000
  1 1 1     -12  -21   31 o    2.237000      0.6400000       2.309000 0.9064000       2.165000      0.9038000      0.1435000       1.280000
  1 1 1     -12  -20    1 o    6.441000      0.1927000       6.305000 0.2725000       6.577000      0.2726000     -0.2717000      0.3854000
  1 1 1     -12  -20    2 o    2.160000      0.4712000       1.969000 0.5681000       2.350000      0.7520000     -0.3802000      0.9425000
  1 1 1     -12  -20    3 f    3.363000      0.4179000       3.646000 0.4305000       3.080000      0.7163000      0.5660000      0.8357000
  1 1 1     -12  -20    4 o    4.543000      0.3402000       4.763000 0.3687000       4.324000      0.5717000      0.4391000      0.6803000
  1 1 1     -12  -20    5 o    9.925000      0.2727000       10.06000 0.3595000       9.791000      0.4102000      0.2670000      0.5455000
  1 1 1     -12  -20    6 o    7.026000      0.2295000       7.390000 0.3174000       6.661000      0.3317000      0.7286000      0.4591000
  1 1 1     -12  -20    7 o    8.089000      0.2264000       8.268000 0.3129000       7.910000      0.3273000      0.3580000      0.4528000
  1 1 1     -12  -20    8 o    2.239000      0.4765000       2.656000 0.6313000       1.822000      0.7139000      0.8346000      0.9530000
  1 1 1     -12  -20    9 o    7.696000      0.2387000       7.628000 0.3402000       7.765000      0.3349000     -0.1368000      0.4774000
  1 1 1     -12  -20   10 o    6.531000      0.2546000       6.444000 0.3512000       6.618000      0.3688000     -0.1738000      0.5093000
  1 1 1     -12  -20   11 o    2.802000      0.4934000       2.854000 0.6272000       2.750000      0.7618000      0.1036000      0.9868000
  1 1 1     -12  -20   12 o    9.439000      0.2453000       9.496000 0.3391000       9.383000      0.3544000      0.1132000      0.4905000
  1 1 1     -12  -20   13 f    8.191000      0.2617000       8.312000 0.3510000       8.070000      0.3882000      0.2415000      0.5234000
  1 1 1     -12  -20   14 o    4.923000      0.3611000       4.858000 0.4728000       4.987000      0.5459000     -0.1291000      0.7222000
  1 1 1     -12  -20   15 o    4.272000      0.4263000       4.448000 0.5475000       4.097000      0.6536000      0.3511000      0.8527000
  1 1 1     -12  -20   16 o    7.654000      0.2748000       7.475000 0.3922000       7.834000      0.3849000     -0.3593000      0.5495000
  1 1 1     -12  -20   17 o    7.947000      0.2818000       7.619000 0.3994000       8.275000      0.3975000     -0.6560000      0.5635000
  1 1 1     -12  -20   18 o    7.268000      0.3012000       7.521000 0.4082000       7.014000      0.4429000      0.5077000      0.6024000
  1 1 1     -12  -20   19 o    10.97000      0.2590000       10.95000 0.3692000       10.98000      0.3633000     -0.2835000E-01  0.5180000
  1 1 1     -12  -20   20 o    9.326000      0.2742000       9.148000 0.3852000       9.505000      0.3902000     -0.3566000      0.5483000
  1 1 1     -12  -20   21 o    4.910000      0.4535000       4.032000 0.7364000       5.789000      0.5296000      -1.758000      0.9070000
  1 1 1     -12  -20   22 o    4.479000      0.4623000       4.335000 0.6303000       4.623000      0.6765000     -0.2878000      0.9246000
  1 1 1     -12  -20   23 o    5.673000      0.3964000       5.747000 0.5353000       5.599000      0.5849000      0.1490000      0.7928000
  1 1 1     -12  -20   24 f    4.171000      0.5417000       4.279000 0.7268000       4.062000      0.8036000      0.2173000       1.083000
  1 1 1     -12  -20   25 o    2.780000      0.7784000       3.183000 1.198000       2.377000      0.9942000      0.8055000       1.557000
  1 1 1     -12  -20   26 o    3.526000      0.8235000       3.145000 1.242000       3.907000       1.082000     -0.7629000       1.647000
  1 1 1     -12  -20   27 o    2.931000      0.6863000       2.628000 0.9416000       3.233000      0.9988000     -0.6047000       1.373000
  1 1 1     -12  -20   28 o    6.593000      0.4117000       5.906000 0.6243000       7.281000      0.5369000      -1.376000      0.8234000
  1 1 1     -12  -20   29 o    4.618000      0.7009000       5.474000 0.8000000       3.763000       1.151000       1.711000       1.402000
  1 1 1     -12  -20   30 o    1.502000      0.5126000       1.595000 0.7571000       1.409000      0.6912000      0.1861000       1.025000
  1 1 1     -12  -20   31 o    2.443000      0.6692000       2.536000 0.9529000       2.351000      0.9398000      0.1851000       1.338000
  1 1 1     -12  -19    1 o    5.157000      0.3484000       5.470000 0.5352000       4.845000      0.4461000      0.6256000      0.6967000
  1 1 1     -12  -19    2 o    4.017000      0.2575000       3.852000 0.3728000       4.181000      0.3555000     -0.3297000      0.5151000
  1 1 1     -12  -19    3 o    2.459000      0.3998000       2.486000 0.5373000       2.431000      0.5923000      0.5476000E-01  0.7997000
  1 1 1     -12  -19    4 o    9.559000      0.1991000       9.455000 0.2775000       9.662000      0.2856000     -0.2062000      0.3982000
  1 1 1     -12  -19    5 o    6.536000      0.2196000       6.693000 0.3027000       6.378000      0.3183000      0.3156000      0.4393000
  1 1 1     -12  -19    6 o    4.009000      0.4205000       4.526000 0.4235000       3.492000      0.7265000       1.034000      0.8409000
  1 1 1     -12  -19    7 o    2.504000      0.4814000       3.105000 0.5804000       1.904000      0.7681000       1.202000      0.9627000
  1 1 1     -12  -19    8 o    2.322000      0.5468000       2.438000 0.6937000       2.206000      0.8454000      0.2322000       1.094000
  1 1 1     -12  -19    9 f    1.452000      0.4436000       1.551000 0.6416000       1.353000      0.6129000      0.1973000      0.8872000
  1 1 1     -12  -19   10 o    8.341000      0.2334000       8.517000 0.3255000       8.165000      0.3345000      0.3514000      0.4667000
  1 1 1     -12  -19   11 o    5.358000      0.3135000       5.931000 0.3843000       4.785000      0.4953000       1.146000      0.6269000
  1 1 1     -12  -19   12 o    9.113000      0.2362000       9.509000 0.3271000       8.717000      0.3407000      0.7926000      0.4723000
  1 1 1     -12  -19   13 o    8.257000      0.2427000       8.060000 0.3413000       8.455000      0.3452000     -0.3945000      0.4854000
  1 1 1     -12  -19   14 o    6.961000      0.2674000       7.182000 0.3663000       6.740000      0.3896000      0.4425000      0.5348000
  1 1 1     -12  -19   15 o    4.758000      0.3908000       4.494000 0.5643000       5.021000      0.5407000     -0.5268000      0.7815000
  1 1 1     -12  -19   16 o    11.25000      0.2527000       11.24000 0.3574000       11.27000      0.3572000     -0.2952000E-01  0.5053000
  1 1 1     -12  -19   17 o    6.199000      0.3164000       6.127000 0.4334000       6.271000      0.4612000     -0.1441000      0.6329000
  1 1 1     -12  -19   18 o    3.176000      0.5338000       3.087000 0.7594000       3.265000      0.7505000     -0.1784000       1.068000
  1 1 1     -12  -19   19 o    5.564000      0.3648000       5.892000 0.4936000       5.235000      0.5372000      0.6575000      0.7296000
  1 1 1     -12  -19   20 o    4.954000      0.3783000       5.205000 0.5230000       4.702000      0.5467000      0.5029000      0.7565000
  1 1 1     -12  -19   21 o    3.979000      0.4746000       4.487000 0.5667000       3.472000      0.7615000       1.015000      0.9492000
  1 1 1     -12  -19   22 o    4.142000      0.5213000       3.298000 0.8381000       4.985000      0.6202000      -1.687000       1.043000
  1 1 1     -12  -19   23 o    1.964000      0.5910000       2.117000 0.8567000       1.810000      0.8143000      0.3071000       1.182000
  1 1 1     -12  -19   24 o    2.632000      0.6344000       2.476000 0.8742000       2.788000      0.9197000     -0.3114000       1.269000
  1 1 1     -12  -19   25 o    3.133000      0.5929000       2.303000 0.8682000       3.963000      0.8076000      -1.660000       1.186000
  1 1 1     -12  -19   26 o    4.220000      0.7568000       4.130000 1.173000       4.310000      0.9568000     -0.1794000       1.514000
  1 1 1     -12  -19   27 o    3.669000      0.8027000       3.633000 1.229000       3.704000       1.033000     -0.7094000E-01   1.605000
  1 1 1     -12  -19   28 o    4.871000      0.5027000       4.755000 0.7257000       4.987000      0.6958000     -0.2321000       1.005000
  1 1 1     -12  -19   29 o    2.641000      0.6809000       2.993000 0.9867000       2.289000      0.9387000      0.7040000       1.362000
  1 1 1     -12  -19   30 o    2.088000      0.6630000       2.172000 0.9508000       2.004000      0.9242000      0.1681000       1.326000
  1 1 1     -12  -19   31 o    2.691000      0.6525000       2.591000 0.9114000       2.790000      0.9340000     -0.1991000       1.305000
  1 1 1     -12  -19   32 o    4.879000      0.5165000       5.280000 0.6811000       4.479000      0.7766000      0.8014000       1.033000
  1 1 1     -12  -18    1 f    1.269000      0.3855000       1.436000 0.5801000       1.103000      0.5080000      0.3336000      0.7711000
  1 1 1     -12  -18    2 o    6.371000      0.3134000       7.110000 0.4600000       5.631000      0.4257000       1.479000      0.6268000
  1 1 1     -12  -18    3 o    1.724000      0.5238000       1.990000 0.8241000       1.459000      0.6466000      0.5310000       1.048000
  1 1 1     -12  -18    4 o    8.470000      0.3046000       8.550000 0.4599000       8.389000      0.3995000      0.1610000      0.6092000
  1 1 1     -12  -18    5 o    7.340000      0.3259000       6.634000 0.5099000       8.046000      0.4059000      -1.412000      0.6518000
  1 1 1     -12  -18    6 o    4.359000      0.2820000       4.820000 0.3626000       3.898000      0.4320000      0.9223000      0.5640000
  1 1 1     -12  -18    7 o    6.949000      0.2226000       7.324000 0.3048000       6.573000      0.3245000      0.7509000      0.4452000
  1 1 1     -12  -18    8 o    7.780000      0.2187000       7.668000 0.3107000       7.892000      0.3079000     -0.2241000      0.4374000
  1 1 1     -12  -18    9 o    3.918000      0.4694000       3.752000 0.5868000       4.083000      0.7328000     -0.3304000      0.9388000
  1 1 1     -12  -18   10 o    2.391000      0.5476000       2.650000 0.7125000       2.131000      0.8318000      0.5183000       1.095000
  1 1 1     -12  -18   11 o    9.164000      0.2402000       9.118000 0.3352000       9.210000      0.3442000     -0.9237000E-01  0.4804000
  1 1 1     -12  -18   12 o    2.736000      0.5208000       3.099000 0.6789000       2.373000      0.7899000      0.7264000       1.042000
  1 1 1     -12  -18   13 f    3.405000      0.4691000       3.039000 0.6995000       3.771000      0.6252000     -0.7319000      0.9382000
  1 1 1     -12  -18   14 o    6.065000      0.2885000       5.826000 0.4154000       6.304000      0.4005000     -0.4779000      0.5770000
  1 1 1     -12  -18   15 o    3.195000      0.5367000       3.640000 0.6587000       2.750000      0.8475000      0.8899000       1.073000
  1 1 1     -12  -18   16 o    8.553000      0.2591000       8.666000 0.3565000       8.441000      0.3761000      0.2252000      0.5182000
  1 1 1     -12  -18   17 o    4.426000      0.4440000       5.055000 0.5158000       3.796000      0.7228000       1.259000      0.8880000
  1 1 1     -12  -18   18 o    4.298000      0.4191000       4.282000 0.5911000       4.315000      0.5942000     -0.3357000E-01  0.8382000
  1 1 1     -12  -18   19 o    17.68000      0.2944000       18.03000 0.4220000       17.33000      0.4105000      0.7049000      0.5887000
  1 1 1     -12  -18   20 o    6.575000      0.4251000       6.575000 0.4251000                  ?              ?              ?              ?
  1 1 1     -12  -18   21 o    7.294000      0.2959000       6.894000 0.4209000       7.694000      0.4159000     -0.7996000      0.5917000
  1 1 1     -12  -18   22 o    5.653000      0.5327000                  ?       ?   5.653000      0.5327000                  ?              ?
  1 1 1     -12  -18   23 o    6.179000      0.3699000       6.230000 0.5110000       6.128000      0.5350000      0.1028000      0.7398000
  1 1 1     -12  -18   24 o    5.956000      0.3846000       5.829000 0.5434000       6.084000      0.5443000     -0.2550000      0.7692000
  1 1 1     -12  -18   25 o    2.503000      0.6344000       2.441000 0.8774000       2.565000      0.9166000     -0.1238000       1.269000
  1 1 1     -12  -18   26 o    4.490000      0.5046000       4.350000 0.7224000       4.629000      0.7048000     -0.2781000       1.009000
  1 1 1     -12  -18   27 o    4.536000      0.7287000       5.301000 1.017000       3.771000       1.044000       1.530000       1.457000
  1 1 1     -12  -18   28 o    5.472000      0.6854000       5.696000 1.038000       5.248000      0.8952000      0.4475000       1.371000
  1 1 1     -12  -18   29 o    3.679000      0.6702000       3.628000 0.9655000       3.731000      0.9297000     -0.1031000       1.340000
  1 1 1     -12  -18   30 o    2.131000      0.6195000       2.570000 0.9591000       1.693000      0.7843000      0.8769000       1.239000
  1 1 1     -12  -18   31 o    2.063000      0.6508000       1.540000 0.7542000       2.586000       1.061000      -1.045000       1.302000
  1 1 1     -12  -18   32 o    4.732000      0.5489000       3.962000 0.8683000       5.502000      0.6718000      -1.541000       1.098000
  1 1 1     -12  -18   33 o    2.442000      0.7374000       2.535000 1.056000       2.349000       1.029000      0.1859000       1.475000
  1 1 1     -12  -17    1 o    6.752000      0.1919000       6.791000 0.2629000       6.713000      0.2796000      0.7832000E-01  0.3838000
  1 1 1     -12  -17    2 o    9.095000      0.1914000       9.079000 0.2715000       9.112000      0.2698000     -0.3302000E-01  0.3828000
  1 1 1     -12  -17    3 o    4.157000      0.2666000       4.225000 0.3583000       4.088000      0.3949000      0.1366000      0.5332000
  1 1 1     -12  -17    4 o    4.346000      0.2730000       4.470000 0.3580000       4.222000      0.4122000      0.2480000      0.5460000
  1 1 1     -12  -17    5 o    2.711000      0.5185000       2.027000 0.8134000       3.395000      0.6433000      -1.368000       1.037000
  1 1 1     -12  -17    6 f    12.49000      0.3278000       12.43000 0.4827000       12.55000      0.4436000     -0.1215000      0.6556000
  1 1 1     -12  -17    7 o    4.485000      0.4725000       4.260000 0.7977000       4.710000      0.5066000     -0.4500000      0.9450000
  1 1 1     -12  -17    8 o    10.06000      0.2164000       10.09000 0.3083000       10.04000      0.3038000      0.5173000E-01  0.4328000
  1 1 1     -12  -17    9 o    3.625000      0.3766000       3.583000 0.5227000       3.666000      0.5422000     -0.8321000E-01  0.7531000
  1 1 1     -12  -17   10 o    7.785000      0.2285000       7.691000 0.3227000       7.878000      0.3238000     -0.1870000      0.4571000
  1 1 1     -12  -17   11 o    7.911000      0.3183000       8.088000 0.4013000       7.733000      0.4942000      0.3548000      0.6366000
  1 1 1     -12  -17   12 o    3.912000      0.5292000       4.344000 0.5605000       3.480000      0.8978000      0.8632000       1.058000
  1 1 1     -12  -17   13 o    8.724000      0.2522000       8.956000 0.3465000       8.492000      0.3666000      0.4644000      0.5044000
  1 1 1     -12  -17   14 o    3.560000      0.4648000       2.850000 0.7389000       4.270000      0.5641000      -1.420000      0.9296000
  1 1 1     -12  -17   15 o    1.794000      0.5034000       1.277000 0.6056000       2.310000      0.8042000      -1.032000       1.007000
  1 1 1     -12  -17   16 o    6.397000      0.2852000       6.509000 0.3943000       6.285000      0.4123000      0.2240000      0.5705000
  1 1 1     -12  -17   17 o    2.006000      0.5182000       2.609000 0.8026000       1.404000      0.6556000       1.204000       1.036000
  1 1 1     -12  -17   18 o    10.42000      0.2533000       10.62000 0.3602000       10.22000      0.3564000      0.3987000      0.5067000
  1 1 1     -12  -17   19 o    16.17000      0.2819000       15.97000 0.3975000       16.37000      0.3998000     -0.4059000      0.5638000
  1 1 1     -12  -17   20 o    6.517000      0.4489000       6.517000 0.4489000                  ?              ?              ?              ?
  1 1 1     -12  -17   21 o    9.597000      0.2693000       9.337000 0.3824000       9.857000      0.3792000     -0.5205000      0.5386000
  1 1 1     -12  -17   22 o    7.266000      0.4579000                  ?       ?   7.266000      0.4579000                  ?              ?
  1 1 1     -12  -17   23 o    7.052000      0.3389000       7.580000 0.4488000       6.525000      0.5079000       1.055000      0.6778000
  1 1 1     -12  -17   24 o    11.86000      0.2866000       11.57000 0.4121000       12.14000      0.3984000     -0.5717000      0.5732000
  1 1 1     -12  -17   25 o    3.823000      0.5955000       4.369000 0.7396000       3.276000      0.9335000       1.093000       1.191000
  1 1 1     -12  -17   26 o    5.426000      0.4531000       5.202000 0.6500000       5.650000      0.6314000     -0.4478000      0.9062000
  1 1 1     -12  -17   27 o    6.285000      0.4126000       6.386000 0.5804000       6.183000      0.5865000      0.2027000      0.8252000
  1 1 1     -12  -17   28 o    6.898000      0.6191000       7.773000 0.8643000       6.023000      0.8866000       1.751000       1.238000
  1 1 1     -12  -17   29 o    3.989000      0.8770000       3.999000 1.320000       3.978000       1.155000      0.2043000E-01   1.754000
  1 1 1     -12  -17   30 o    1.805000      0.5840000       1.656000 0.7780000       1.953000      0.8711000     -0.2967000       1.168000
  1 1 1     -12  -17   31 o    2.410000      0.6802000       2.998000 1.043000       1.822000      0.8734000       1.176000       1.360000
  1 1 1     -12  -17   32 o    4.472000      0.7504000       4.710000 0.9711000       4.233000       1.144000      0.4776000       1.501000
  1 1 1     -12  -17   33 o    3.394000      0.6156000       4.109000 0.7990000       2.678000      0.9367000       1.431000       1.231000
  1 1 1     -12  -16    1 o    4.740000      0.2204000       4.673000 0.2991000       4.806000      0.3237000     -0.1324000      0.4407000
  1 1 1     -12  -16    2 o    5.741000      0.2098000       5.591000 0.3033000       5.890000      0.2899000     -0.2988000      0.4196000
  1 1 1     -12  -16    3 o    5.073000      0.2320000       4.944000 0.3242000       5.202000      0.3319000     -0.2582000      0.4640000
  1 1 1     -12  -16    4 o    3.868000      0.2859000       3.727000 0.4197000       4.010000      0.3883000     -0.2822000      0.5718000
  1 1 1     -12  -16    5 o    11.36000      0.2105000       11.50000 0.2982000       11.22000      0.2970000      0.2812000      0.4209000
  1 1 1     -12  -16    6 o    9.221000      0.2062000       9.052000 0.2904000       9.390000      0.2927000     -0.3381000      0.4123000
  1 1 1     -12  -16    7 o    5.806000      0.2419000       6.274000 0.3285000       5.338000      0.3551000      0.9354000      0.4837000
  1 1 1     -12  -16    8 o    9.572000      0.3104000       9.699000 0.4617000       9.445000      0.4150000      0.2543000      0.6208000
  1 1 1     -12  -16    9 o    8.435000      0.3225000       8.210000 0.4896000       8.661000      0.4197000     -0.4513000      0.6449000
  1 1 1     -12  -16   10 o    4.320000      0.3261000       4.276000 0.4420000       4.365000      0.4795000     -0.8925000E-01  0.6521000
  1 1 1     -12  -16   11 o    4.482000      0.3209000       4.744000 0.4229000       4.221000      0.4826000      0.5227000      0.6417000
  1 1 1     -12  -16   12 o    3.194000      0.5595000       3.810000 0.6534000       2.578000      0.9085000       1.232000       1.119000
  1 1 1     -12  -16   13 o    7.602000      0.3470000       8.398000 0.4257000       6.807000      0.5481000       1.592000      0.6940000
  1 1 1     -12  -16   14 o    5.496000      0.3191000       5.410000 0.4442000       5.581000      0.4582000     -0.1710000      0.6382000
  1 1 1     -12  -16   15 o    3.782000      0.4547000       3.812000 0.6078000       3.752000      0.6765000      0.6032000E-01  0.9094000
  1 1 1     -12  -16   16 o    6.831000      0.2731000       6.792000 0.3838000       6.870000      0.3886000     -0.7793000E-01  0.5462000
  1 1 1     -12  -16   17 o    2.689000      0.5335000       3.303000 0.7276000       2.074000      0.7805000       1.230000       1.067000
  1 1 1     -12  -16   18 o    19.44000      0.3064000       19.11000 0.4309000       19.77000      0.4359000     -0.6553000      0.6129000
  1 1 1     -12  -16   19 o    6.577000      0.3183000       6.804000 0.4379000       6.350000      0.4621000      0.4535000      0.6366000
  1 1 1     -12  -16   20 o    5.914000      0.3317000       6.163000 0.4590000       5.665000      0.4791000      0.4984000      0.6635000
  1 1 1     -12  -16   21 o    10.42000      0.2634000       10.36000 0.3726000       10.49000      0.3724000     -0.1334000      0.5268000
  1 1 1     -12  -16   22 o    8.050000      0.2925000       8.012000 0.4118000       8.088000      0.4155000     -0.7676000E-01  0.5850000
  1 1 1     -12  -16   23 o    7.491000      0.3124000       7.533000 0.4398000       7.449000      0.4438000      0.8436000E-01  0.6248000
  1 1 1     -12  -16   24 o    18.71000      0.3105000       18.79000 0.4406000       18.63000      0.4375000      0.1567000      0.6209000
  1 1 1     -12  -16   25 o    3.402000      0.5680000       2.549000 0.8869000       4.256000      0.7097000      -1.707000       1.136000
  1 1 1     -12  -16   26 o    5.405000      0.4301000       5.175000 0.6361000       5.635000      0.5791000     -0.4601000      0.8603000
  1 1 1     -12  -16   27 o    9.605000      0.3138000       9.646000 0.4446000       9.564000      0.4430000      0.8245000E-01  0.6276000
  1 1 1     -12  -16   28 o    4.787000      0.5669000       5.009000 0.7575000       4.565000      0.8437000      0.4441000       1.134000
  1 1 1     -12  -16   29 o    2.796000      0.7878000       2.288000 1.060000       3.303000       1.166000      -1.015000       1.576000
  1 1 1     -12  -16   30 o    4.528000      0.5821000       5.329000 0.6791000       3.726000      0.9455000       1.603000       1.164000
  1 1 1     -12  -16   31 o    4.684000      0.5548000       3.796000 0.9110000       5.572000      0.6335000      -1.776000       1.110000
  1 1 1     -12  -16   32 o    2.280000      0.7051000       2.079000 0.9381000       2.481000       1.053000     -0.4016000       1.410000
  1 1 1     -12  -16   33 o    3.881000      0.7800000       3.618000 1.077000       4.144000       1.129000     -0.5251000       1.560000
  1 1 1     -12  -15    1 o    8.045000      0.1859000       7.722000 0.2665000       8.368000      0.2591000     -0.6461000      0.3717000
  1 1 1     -12  -15    2 o    8.926000      0.1917000       8.804000 0.2706000       9.049000      0.2715000     -0.2444000      0.3834000
  1 1 1     -12  -15    3 o    12.63000      0.2132000       12.41000 0.3001000       12.84000      0.3030000     -0.4287000      0.4264000
  1 1 1     -12  -15    4 o    1.162000      0.3727000       1.252000 0.5495000       1.072000      0.5038000      0.1802000      0.7455000
  1 1 1     -12  -15    5 o    11.15000      0.2097000       10.86000 0.2963000       11.44000      0.2968000     -0.5780000      0.4194000
  1 1 1     -12  -15    6 o    13.47000      0.2278000       13.34000 0.3214000       13.59000      0.3230000     -0.2501000      0.4557000
  1 1 1     -12  -15    7 o    5.264000      0.2464000       5.186000 0.3395000       5.342000      0.3570000     -0.1558000      0.4927000
  1 1 1     -12  -15    8 o    8.754000      0.2116000       8.703000 0.2940000       8.805000      0.3043000     -0.1023000      0.4231000
  1 1 1     -12  -15    9 o    3.322000      0.5458000       3.542000 0.8034000       3.102000      0.7390000      0.4404000       1.092000
  1 1 1     -12  -15   10 o    9.752000      0.3173000       9.680000 0.4642000       9.824000      0.4328000     -0.1435000      0.6347000
  1 1 1     -12  -15   11 o    7.751000      0.2773000       7.556000 0.3042000       7.946000      0.4636000     -0.3895000      0.5545000
  1 1 1     -12  -15   12 o    4.582000      0.3315000       4.454000 0.4722000       4.710000      0.4654000     -0.2560000      0.6630000
  1 1 1     -12  -15   13 o    2.979000      0.4732000       3.696000 0.5791000       2.261000      0.7484000       1.435000      0.9464000
  1 1 1     -12  -15   14 o    3.806000      0.4963000       3.283000 0.7165000       4.330000      0.6870000      -1.047000      0.9927000
  1 1 1     -12  -15   15 o    3.612000      0.5479000       4.353000 0.6096000       2.870000      0.9106000       1.483000       1.096000
  1 1 1     -12  -15   16 o    7.146000      0.2775000       7.136000 0.3855000       7.156000      0.3992000     -0.2022000E-01  0.5550000
  1 1 1     -12  -15   17 o    3.254000      0.4836000       3.142000 0.6807000       3.365000      0.6871000     -0.2224000      0.9672000
  1 1 1     -12  -15   18 o    12.95000      0.3198000       12.61000 0.3620000       13.29000      0.5272000     -0.6883000      0.6395000
  1 1 1     -12  -15   19 o    10.77000      0.2631000       10.81000 0.3752000       10.74000      0.3689000      0.7106000E-01  0.5262000
  1 1 1     -12  -15   20 o    12.96000      0.2574000       12.82000 0.3658000       13.11000      0.3623000     -0.2831000      0.5149000
  1 1 1     -12  -15   21 o    5.828000      0.3240000       6.143000 0.4297000       5.513000      0.4851000      0.6303000      0.6480000
  1 1 1     -12  -15   22 f    14.03000      0.2707000       13.75000 0.3787000       14.31000      0.3869000     -0.5620000      0.5414000
  1 1 1     -12  -15   23 o    8.811000      0.2840000       8.958000 0.3922000       8.663000      0.4109000      0.2940000      0.5681000
  1 1 1     -12  -15   24 o    4.577000      0.4487000       5.224000 0.5730000       3.931000      0.6908000       1.293000      0.8975000
  1 1 1     -12  -15   25 o    10.40000      0.2848000       10.51000 0.4074000       10.28000      0.3980000      0.2324000      0.5696000
  1 1 1     -12  -15   26 o    3.869000      0.5667000       4.109000 0.7446000       3.628000      0.8544000      0.4809000       1.133000
  1 1 1     -12  -15   27 o    4.155000      0.5639000       4.903000 0.6759000       3.407000      0.9028000       1.496000       1.128000
  1 1 1     -12  -15   28 o    7.436000      0.3729000       7.020000 0.5563000       7.852000      0.4969000     -0.8318000      0.7458000
  1 1 1     -12  -15   29 o    4.161000      0.5828000       3.661000 0.8490000       4.661000      0.7986000     -0.9999000       1.166000
  1 1 1     -12  -15   30 o    4.711000      0.7285000       6.168000 0.9294000       3.253000       1.122000       2.915000       1.457000
  1 1 1     -12  -15   31 o    5.446000      0.5048000       6.260000 0.6070000       4.632000      0.8068000       1.628000       1.010000
  1 1 1     -12  -15   32 o    2.161000      0.6291000       2.527000 0.9567000       1.795000      0.8173000      0.7323000       1.258000
  1 1 1     -12  -15   33 o    2.959000      0.7987000       2.711000 1.084000       3.207000       1.174000     -0.4964000       1.597000
  1 1 1     -12  -15   34 o    2.046000      0.6012000       1.646000 0.7670000       2.446000      0.9259000     -0.8005000       1.202000
  1 1 1     -12  -14    1 o    5.608000      0.2015000       5.630000 0.2736000       5.586000      0.2960000      0.4400000E-01  0.4030000
  1 1 1     -12  -14    2 o    4.512000      0.2380000       4.510000 0.3297000       4.514000      0.3434000     -0.3760000E-02  0.4760000
  1 1 1     -12  -14    3 o    24.63000      0.3460000       24.71000 0.4910000       24.55000      0.4876000      0.1608000      0.6920000
  1 1 1     -12  -14    4 o    5.816000      0.2182000       5.892000 0.2984000       5.741000      0.3184000      0.1509000      0.4364000
  1 1 1     -12  -14    5 f    7.744000      0.1993000       7.690000 0.2787000       7.798000      0.2850000     -0.1078000      0.3987000
  1 1 1     -12  -14    6 o    8.928000      0.2039000       8.843000 0.2917000       9.014000      0.2850000     -0.1718000      0.4079000
  1 1 1     -12  -14    7 o    2.514000      0.4553000       2.576000 0.6276000       2.452000      0.6599000      0.1244000      0.9106000
  1 1 1     -12  -14    8 o    10.27000      0.2140000       10.08000 0.3007000       10.46000      0.3045000     -0.3776000      0.4279000
  1 1 1     -12  -14    9 o    12.29000      0.2263000       12.43000 0.3223000       12.14000      0.3178000      0.2943000      0.4526000
  1 1 1     -12  -14   10 o    9.305000      0.2184000       9.366000 0.3114000       9.244000      0.3063000      0.1211000      0.4369000
  1 1 1     -12  -14   11 o    6.813000      0.3409000       7.395000 0.4913000       6.230000      0.4729000       1.165000      0.6819000
  1 1 1     -12  -14   12 o    16.29000      0.3785000       15.86000 0.5362000       16.73000      0.5343000     -0.8776000      0.7570000
  1 1 1     -12  -14   13 o    6.471000      0.2548000       6.482000 0.3574000       6.461000      0.3632000      0.2017000E-01  0.5095000
  1 1 1     -12  -14   14 o    1.659000      0.4860000       1.451000 0.6412000       1.868000      0.7306000     -0.4169000      0.9721000
  1 1 1     -12  -14   15 o    5.498000      0.4300000       5.087000 0.5797000       5.909000      0.6353000     -0.8224000      0.8600000
  1 1 1     -12  -14   16 o    4.614000      0.4489000       4.871000 0.5535000       4.357000      0.7068000      0.5139000      0.8977000
  1 1 1     -12  -14   17 o    7.094000      0.2767000       6.778000 0.3971000       7.410000      0.3854000     -0.6320000      0.5534000
  1 1 1     -12  -14   18 o    1.943000      0.5413000       2.100000 0.7877000       1.785000      0.7427000      0.3146000       1.083000
  1 1 1     -12  -14   19 o    22.28000      0.3368000       23.11000 0.4897000       21.45000      0.4624000       1.656000      0.6735000
  1 1 1     -12  -14   20 o    7.660000      0.2901000       7.466000 0.4196000       7.854000      0.4009000     -0.3884000      0.5803000
  1 1 1     -12  -14   21 o    1.767000      0.7526000       1.767000 0.7526000                  ?              ?              ?              ?
  1 1 1     -12  -14   22 o    13.89000      0.2699000       13.49000 0.3799000       14.28000      0.3835000     -0.7912000      0.5398000
  1 1 1     -12  -14   23 o    4.764000      0.5717000                  ?       ?   4.764000      0.5717000                  ?              ?
  1 1 1     -12  -14   24 o    7.795000      0.3115000       7.764000 0.4470000       7.825000      0.4339000     -0.6081000E-01  0.6229000
  1 1 1     -12  -14   25 o    8.618000      0.3042000       8.078000 0.4410000       9.158000      0.4192000      -1.080000      0.6084000
  1 1 1     -12  -14   26 o    8.716000      0.3065000       8.857000 0.4300000       8.574000      0.4369000      0.2834000      0.6130000
  1 1 1     -12  -14   27 o    2.405000      0.6263000       2.192000 0.8696000       2.618000      0.9017000     -0.4255000       1.253000
  1 1 1     -12  -14   28 o    6.837000      0.3836000       7.102000 0.5235000       6.572000      0.5607000      0.5299000      0.7671000
  1 1 1     -12  -14   29 o    7.958000      0.3555000       7.977000 0.4957000       7.938000      0.5098000      0.3880000E-01  0.7110000
  1 1 1     -12  -14   30 o    6.864000      0.5728000       7.431000 0.8019000       6.297000      0.8181000       1.135000       1.146000
  1 1 1     -12  -14   31 o    5.702000      0.6547000       5.336000 0.9727000       6.068000      0.8766000     -0.7313000       1.309000
  1 1 1     -12  -14   32 o    4.470000      0.5625000       4.996000 0.7484000       3.944000      0.8398000       1.052000       1.125000
  1 1 1     -12  -14   33 o    2.102000      0.6728000       1.736000 0.8382000       2.468000       1.053000     -0.7319000       1.346000
  1 1 1     -12  -14   34 o    3.267000      0.7770000       3.376000 1.111000       3.157000       1.086000      0.2191000       1.554000
  1 1 1     -12  -13    1 o    7.047000      0.1858000       7.000000 0.2553000       7.094000      0.2699000     -0.9308000E-01  0.3716000
  1 1 1     -12  -13    2 o    1.652000      0.4159000       1.817000 0.5919000       1.487000      0.5844000      0.3298000      0.8318000
  1 1 1     -12  -13    3 o    4.885000      0.2274000       4.755000 0.3295000       5.015000      0.3134000     -0.2595000      0.4547000
  1 1 1     -12  -13    4 o    9.367000      0.1967000       9.378000 0.2742000       9.355000      0.2820000      0.2305000E-01  0.3933000
  1 1 1     -12  -13    5 o    10.28000      0.1996000       10.30000 0.2810000       10.25000      0.2836000      0.4141000E-01  0.3992000
  1 1 1     -12  -13    6 o    9.556000      0.2019000       9.667000 0.2848000       9.446000      0.2863000      0.2215000      0.4038000
  1 1 1     -12  -13    7 o    9.038000      0.2039000       9.131000 0.2879000       8.945000      0.2887000      0.1860000      0.4077000
  1 1 1     -12  -13    8 o    11.15000      0.2147000       11.13000 0.3037000       11.17000      0.3037000     -0.4235000E-01  0.4295000
  1 1 1     -12  -13    9 o    12.75000      0.2274000       13.04000 0.3263000       12.46000      0.3168000      0.5875000      0.4548000
  1 1 1     -12  -13   10 o    11.46000      0.2225000       11.58000 0.3165000       11.34000      0.3127000      0.2351000      0.4450000
  1 1 1     -12  -13   11 o    5.273000      0.2764000       5.283000 0.3843000       5.262000      0.3975000      0.2089000E-01  0.5529000
  1 1 1     -12  -13   12 o    9.280000      0.3325000       9.880000 0.4885000       8.680000      0.4512000       1.200000      0.6650000
  1 1 1     -12  -13   13 o    2.662000      0.6207000       2.539000 0.8986000       2.784000      0.8565000     -0.2452000       1.241000
  1 1 1     -12  -13   14 o    5.019000      0.3115000       4.854000 0.4550000       5.183000      0.4254000     -0.3290000      0.6229000
  1 1 1     -12  -13   15 o    3.033000      0.4954000       2.930000 0.7078000       3.136000      0.6932000     -0.2056000      0.9907000
  1 1 1     -12  -13   16 o    9.444000      0.3365000       9.262000 0.4471000       9.625000      0.5031000     -0.3636000      0.6731000
  1 1 1     -12  -13   17 o    8.088000      0.3493000       8.012000 0.4623000       8.164000      0.5236000     -0.1514000      0.6985000
  1 1 1     -12  -13   18 o    8.438000      0.2611000       8.438000 0.3742000       8.437000      0.3644000      0.1173000E-02  0.5223000
  1 1 1     -12  -13   19 o    12.13000      0.2575000       12.29000 0.3656000       11.96000      0.3628000      0.3374000      0.5151000
  1 1 1     -12  -13   20 o    14.38000      0.2684000       14.29000 0.3806000       14.47000      0.3785000     -0.1811000      0.5368000
  1 1 1     -12  -13   21 o    6.724000      0.4415000       6.724000 0.4415000                  ?              ?              ?              ?
  1 1 1     -12  -13   22 o    3.174000      0.5611000       3.445000 0.7562000       2.903000      0.8291000      0.5421000       1.122000
  1 1 1     -12  -13   23 o    5.663000      0.5202000                  ?       ?   5.663000      0.5202000                  ?              ?
  1 1 1     -12  -13   24 o    6.169000      0.3473000       5.773000 0.5174000       6.564000      0.4636000     -0.7914000      0.6947000
  1 1 1     -12  -13   25 o    1.527000      0.5020000       1.583000 0.7268000       1.471000      0.6926000      0.1125000       1.004000
  1 1 1     -12  -13   26 o    12.15000      0.2791000       12.18000 0.3963000       12.12000      0.3930000      0.5732000E-01  0.5582000
  1 1 1     -12  -13   27 f    7.856000      0.3329000       8.032000 0.4621000       7.680000      0.4793000      0.3515000      0.6658000
  1 1 1     -12  -13   28 o    5.418000      0.4268000       4.799000 0.6473000       6.037000      0.5566000      -1.238000      0.8537000
  1 1 1     -12  -13   29 o    6.802000      0.3874000       7.255000 0.5074000       6.348000      0.5856000      0.9062000      0.7748000
  1 1 1     -12  -13   30 f    2.174000      0.6384000       2.073000 0.8741000       2.276000      0.9306000     -0.2032000       1.277000
  1 1 1     -12  -13   31 o    6.685000      0.5501000       6.681000 0.8098000       6.689000      0.7448000     -0.8284000E-02   1.100000
  1 1 1     -12  -13   32 o    7.576000      0.4319000       7.012000 0.5612000       8.139000      0.6567000      -1.127000      0.8639000
  1 1 1     -12  -13   33 f    2.466000      0.6702000       2.520000 0.9647000       2.413000      0.9305000      0.1076000       1.340000
  1 1 1     -12  -13   34 o    3.101000      0.7870000       3.122000 1.098000       3.079000       1.128000      0.4239000E-01   1.574000
  1 1 1     -12  -13   35 o    2.645000      0.7728000       2.493000 1.072000       2.798000       1.113000     -0.3044000       1.546000
  1 1 1     -12  -12    1 o    20.50000      0.2931000       20.82000 0.4195000       20.19000      0.4095000      0.6308000      0.5862000
  1 1 1     -12  -12    2 o    4.897000      0.2236000       5.058000 0.2985000       4.736000      0.3329000      0.3219000      0.4471000
  1 1 1     -12  -12    3 o    8.925000      0.1898000       8.858000 0.2698000       8.991000      0.2670000     -0.1336000      0.3796000
  1 1 1     -12  -12    4 o    14.33000      0.2284000       14.11000 0.3194000       14.56000      0.3265000     -0.4489000      0.4568000
  1 1 1     -12  -12    5 o    5.085000      0.2413000       4.883000 0.3378000       5.287000      0.3446000     -0.4037000      0.4826000
  1 1 1     -12  -12    6 f    10.49000      0.2055000       10.44000 0.2902000       10.53000      0.2909000     -0.8873000E-01  0.4109000
  1 1 1     -12  -12    7 o    11.88000      0.2141000       12.02000 0.3054000       11.74000      0.3003000      0.2796000      0.4283000
  1 1 1     -12  -12    8 o    8.277000      0.2096000       8.097000 0.2947000       8.458000      0.2982000     -0.3610000      0.4193000
  1 1 1     -12  -12    9 o    4.905000      0.2725000       4.524000 0.4046000       5.285000      0.3653000     -0.7614000      0.5451000
  1 1 1     -12  -12   10 o    3.516000      0.3494000       3.398000 0.5151000       3.634000      0.4722000     -0.2365000      0.6987000
  1 1 1     -12  -12   11 o    4.895000      0.2751000       4.883000 0.3816000       4.907000      0.3963000     -0.2454000E-01  0.5502000
  1 1 1     -12  -12   12 o    4.518000      0.3175000       4.717000 0.4289000       4.319000      0.4683000      0.3977000      0.6351000
  1 1 1     -12  -12   14 f    10.19000      0.3364000       10.48000 0.5009000       9.895000      0.4491000      0.5855000      0.6728000
  1 1 1     -12  -12   15 o    1.693000      0.4922000       1.511000 0.6669000       1.874000      0.7241000     -0.3634000      0.9844000
  1 1 1     -12  -12   16 o    11.09000      0.2428000       11.54000 0.3471000       10.64000      0.3397000      0.9055000      0.4857000
  1 1 1     -12  -12   17 o    10.52000      0.3193000       10.88000 0.4402000       10.16000      0.4626000      0.7185000      0.6386000
  1 1 1     -12  -12   18 o    3.137000      0.5094000       3.218000 0.7058000       3.055000      0.7347000      0.1632000       1.019000
  1 1 1     -12  -12   19 o    4.904000      0.3467000       4.897000 0.4933000       4.910000      0.4874000     -0.1215000E-01  0.6934000
  1 1 1     -12  -12   20 o    4.929000      0.3574000       5.329000 0.4596000       4.529000      0.5475000      0.8006000      0.7148000
  1 1 1     -12  -12   21 o    1.275000      0.4351000       1.300000 0.6235000       1.250000      0.6071000      0.4968000E-01  0.8702000
  1 1 1     -12  -12   22 o    2.762000      0.4968000       3.891000 0.6722000       1.633000      0.7316000       2.258000      0.9935000
  1 1 1     -12  -12   23 o    6.466000      0.3256000       6.492000 0.4588000       6.440000      0.4620000      0.5273000E-01  0.6511000
  1 1 1     -12  -12   24 o    6.130000      0.3453000       5.805000 0.4954000       6.455000      0.4812000     -0.6497000      0.6906000
  1 1 1     -12  -12   25 o    6.604000      0.3334000       6.546000 0.4748000       6.661000      0.4681000     -0.1140000      0.6668000
  1 1 1     -12  -12   26 o    12.28000      0.2760000       12.46000 0.3877000       12.10000      0.3928000      0.3628000      0.5519000
  1 1 1     -12  -12   27 o    13.28000      0.2862000       13.46000 0.3980000       13.11000      0.4114000      0.3547000      0.5724000
  1 1 1     -12  -12   28 o    1.390000      0.4727000       1.550000 0.7206000       1.231000      0.6121000      0.3185000      0.9455000
  1 1 1     -12  -12   29 o    2.216000      0.6328000       2.287000 0.9032000       2.144000      0.8865000      0.1425000       1.266000
  1 1 1     -12  -12   30 o    5.226000      0.4918000       4.523000 0.7603000       5.930000      0.6242000      -1.407000      0.9837000
  1 1 1     -12  -12   31 o    8.128000      0.4885000       7.817000 0.7293000       8.440000      0.6501000     -0.6237000      0.9770000
  1 1 1     -12  -12   32 o    6.024000      0.4280000       6.023000 0.6132000       6.026000      0.5971000     -0.2667000E-02  0.8559000
  1 1 1     -12  -12   33 o    3.074000      0.6685000       3.064000 0.9642000       3.084000      0.9263000     -0.1988000E-01   1.337000
  1 1 1     -12  -12   34 o    2.336000      0.7002000       2.702000 1.057000       1.970000      0.9191000      0.7329000       1.400000
  1 1 1     -12  -12   35 o    2.329000      0.6119000       2.956000 0.9417000       1.702000      0.7817000       1.254000       1.224000
  1 1 1     -12  -11    1 o    22.68000      0.3193000       23.04000 0.4575000       22.32000      0.4455000      0.7193000      0.6386000
  1 1 1     -12  -11    2 o    11.08000      0.1959000       11.38000 0.2777000       10.78000      0.2764000      0.5993000      0.3918000
  1 1 1     -12  -11    3 o    11.75000      0.2025000       11.86000 0.2884000       11.64000      0.2844000      0.2262000      0.4050000
  1 1 1     -12  -11    4 o    10.82000      0.1977000       10.80000 0.2789000       10.83000      0.2803000     -0.2631000E-01  0.3954000
  1 1 1     -12  -11    5 o    10.90000      0.2013000       10.88000 0.2838000       10.91000      0.2856000     -0.2989000E-01  0.4026000
  1 1 1     -12  -11    6 o    9.269000      0.1966000       9.415000 0.2779000       9.122000      0.2782000      0.2933000      0.3932000
  1 1 1     -12  -11    7 o    5.807000      0.2276000       5.602000 0.3233000       6.012000      0.3205000     -0.4099000      0.4552000
  1 1 1     -12  -11    8 o    3.726000      0.3166000       3.731000 0.4552000       3.722000      0.4401000      0.8588000E-02  0.6332000
  1 1 1     -12  -11    9 o    7.647000      0.2073000       7.543000 0.2953000       7.751000      0.2911000     -0.2077000      0.4146000
  1 1 1     -12  -11   10 o    4.377000      0.2837000       4.691000 0.3728000       4.063000      0.4278000      0.6278000      0.5674000
  1 1 1     -12  -11   11 o    12.16000      0.2258000       11.74000 0.3176000       12.57000      0.3211000     -0.8295000      0.4517000
  1 1 1     -12  -11   12 o    6.476000      0.2471000       6.541000 0.3459000       6.412000      0.3529000      0.1283000      0.4941000
  1 1 1     -12  -11   13 o    14.62000      0.2477000       14.05000 0.3433000       15.20000      0.3572000      -1.142000      0.4954000
  1 1 1     -12  -11   14 o    11.50000      0.3354000       11.43000 0.4926000       11.56000      0.4554000     -0.1276000      0.6709000
  1 1 1     -12  -11   15 o    3.179000      0.4571000       2.919000 0.6976000       3.438000      0.5907000     -0.5194000      0.9141000
  1 1 1     -12  -11   16 o    7.849000      0.2522000       8.027000 0.3586000       7.671000      0.3547000      0.3562000      0.5044000
  1 1 1     -12  -11   17 f    7.009000      0.3637000       7.096000 0.4687000       6.923000      0.5563000      0.1726000      0.7275000
  1 1 1     -12  -11   18 o    13.35000      0.3503000       13.71000 0.4854000       12.99000      0.5050000      0.7160000      0.7005000
  1 1 1     -12  -11   19 o    1.874000      0.5329000       2.113000 0.7955000       1.635000      0.7093000      0.4788000       1.066000
  1 1 1     -12  -11   20 o    11.12000      0.2555000       11.12000 0.3584000       11.11000      0.3642000      0.3798000E-02  0.5110000
  1 1 1     -12  -11   21 o    9.104000      0.2646000       9.100000 0.3751000       9.109000      0.3732000     -0.9036000E-02  0.5292000
  1 1 1     -12  -11   22 o    8.090000      0.2801000       7.864000 0.4000000       8.316000      0.3922000     -0.4512000      0.5602000
  1 1 1     -12  -11   23 o    6.125000      0.3271000       6.063000 0.4688000       6.186000      0.4563000     -0.1231000      0.6542000
  1 1 1     -12  -11   24 o    9.607000      0.2738000       9.490000 0.3852000       9.725000      0.3892000     -0.2352000      0.5476000
  1 1 1     -12  -11   25 o    11.23000      0.2699000       10.77000 0.3817000       11.69000      0.3818000     -0.9222000      0.5399000
  1 1 1     -12  -11   26 o    4.829000      0.4168000       4.464000 0.6153000       5.195000      0.5623000     -0.7316000      0.8335000
  1 1 1     -12  -11   27 o    12.80000      0.2858000       12.81000 0.3980000       12.79000      0.4102000      0.2139000E-01  0.5715000
  1 1 1     -12  -11   28 o    2.945000      0.6037000       2.323000 0.8798000       3.567000      0.8269000      -1.243000       1.207000
  1 1 1     -12  -11   29 o    2.293000      0.6324000       2.180000 0.8756000       2.405000      0.9128000     -0.2256000       1.265000
  1 1 1     -12  -11   30 o    2.075000      0.5975000       1.577000 0.7422000       2.574000      0.9367000     -0.9963000       1.195000
  1 1 1     -12  -11   31 o    3.924000      0.7997000       4.430000 1.156000       3.418000       1.105000       1.012000       1.599000
  1 1 1     -12  -11   32 o    2.910000      0.7668000       3.283000 1.142000       2.538000       1.023000      0.7444000       1.534000
  1 1 1     -12  -11   33 o    2.377000      0.5758000       3.332000 0.9229000       1.422000      0.6889000       1.909000       1.152000
  1 1 1     -12  -11   34 o    2.331000      0.7110000       2.209000 0.9725000       2.452000       1.037000     -0.2429000       1.422000
  1 1 1     -12  -11   35 o    1.953000      0.6338000       2.118000 0.9437000       1.788000      0.8464000      0.3299000       1.268000
  1 1 1     -12  -10    1 o    17.47000      0.2564000       17.22000 0.3586000       17.73000      0.3667000     -0.5047000      0.5129000
  1 1 1     -12  -10    2 o    13.48000      0.2153000       13.39000 0.3012000       13.57000      0.3076000     -0.1741000      0.4305000
  1 1 1     -12  -10    3 o    9.383000      0.1872000       9.227000 0.2623000       9.539000      0.2671000     -0.3121000      0.3744000
  1 1 1     -12  -10    4 o    8.285000      0.1906000       8.209000 0.2693000       8.360000      0.2697000     -0.1519000      0.3811000
  1 1 1     -12  -10    5 o    3.330000      0.3059000       3.218000 0.4348000       3.442000      0.4304000     -0.2242000      0.6118000
  1 1 1     -12  -10    6 o    2.352000      0.4233000       2.498000 0.5942000       2.206000      0.6030000      0.2929000      0.8466000
  1 1 1     -12  -10    7 o    13.79000      0.2274000       13.82000 0.3231000       13.76000      0.3200000      0.6079000E-01  0.4547000
  1 1 1     -12  -10    8 o    3.855000      0.3084000       3.858000 0.4311000       3.852000      0.4412000      0.5938000E-02  0.6169000
  1 1 1     -12  -10    9 o    8.613000      0.2100000       8.080000 0.2986000       9.145000      0.2952000      -1.064000      0.4199000
  1 1 1     -12  -10   10 o    13.79000      0.2330000       14.08000 0.3329000       13.50000      0.3260000      0.5781000      0.4660000
  1 1 1     -12  -10   11 o    4.723000      0.2624000       4.323000 0.3878000       5.124000      0.3536000     -0.8007000      0.5249000
  1 1 1     -12  -10   12 o    6.891000      0.2389000       6.987000 0.3363000       6.794000      0.3394000      0.1929000      0.4778000
  1 1 1     -12  -10   13 o    3.292000      0.4128000       3.800000 0.5116000       2.783000      0.6479000       1.016000      0.8256000
  1 1 1     -12  -10   14 o    7.402000      0.3550000       7.590000 0.5211000       7.214000      0.4821000      0.3756000      0.7099000
  1 1 1     -12  -10   15 o    10.07000      0.3348000       9.655000 0.4900000       10.49000      0.4563000     -0.8327000      0.6696000
  1 1 1     -12  -10   16 o    4.781000      0.3317000       4.711000 0.4659000       4.850000      0.4723000     -0.1391000      0.6634000
  1 1 1     -12  -10   17 o    7.762000      0.2521000       7.686000 0.3599000       7.838000      0.3532000     -0.1519000      0.5043000
  1 1 1     -12  -10   18 o    6.780000      0.3906000       7.659000 0.4639000       5.902000      0.6286000       1.757000      0.7813000
  1 1 1     -12  -10   19 o    1.796000      0.5224000       1.553000 0.6949000       2.039000      0.7801000     -0.4858000       1.045000
  1 1 1     -12  -10   20 o    5.807000      0.3281000       5.720000 0.4628000       5.894000      0.4652000     -0.1736000      0.6562000
  1 1 1     -12  -10   21 o    6.566000      0.2966000       6.324000 0.4341000       6.807000      0.4043000     -0.4835000      0.5932000
  1 1 1     -12  -10   22 o    14.28000      0.3168000       15.15000 0.3885000       13.41000      0.5005000       1.744000      0.6336000
  1 1 1     -12  -10   23 o    4.380000      0.4317000       5.101000 0.5171000       3.659000      0.6914000       1.441000      0.8634000
  1 1 1     -12  -10   24 o    2.617000      0.5784000       2.989000 0.7899000       2.244000      0.8451000      0.7450000       1.157000
  1 1 1     -12  -10   25 o    4.573000      0.4421000       4.984000 0.5868000       4.162000      0.6615000      0.8223000      0.8843000
  1 1 1     -12  -10   26 o    7.325000      0.3081000       7.514000 0.4246000       7.135000      0.4466000      0.3790000      0.6162000
  1 1 1     -12  -10   27 o    7.407000      0.3251000       7.144000 0.4650000       7.670000      0.4545000     -0.5257000      0.6503000
  1 1 1     -12  -10   28 o    7.999000      0.3244000       8.229000 0.4539000       7.768000      0.4637000      0.4613000      0.6489000
  1 1 1     -12  -10   29 o    7.883000      0.3320000       7.463000 0.4865000       8.304000      0.4520000     -0.8413000      0.6641000
  1 1 1     -12  -10   30 o    2.486000      0.6640000       2.737000 0.9659000       2.234000      0.9114000      0.5032000       1.328000
  1 1 1     -12  -10   31 o    2.295000      0.6481000       2.018000 0.8787000       2.572000      0.9529000     -0.5545000       1.296000
  1 1 1     -12  -10   32 o    4.656000      0.7148000       3.442000 1.189000       5.870000      0.7931000      -2.428000       1.430000
  1 1 1     -12  -10   33 o    2.896000      0.6501000       2.288000 0.9178000       3.504000      0.9210000      -1.216000       1.300000
  1 1 1     -12  -10   34 o    2.389000      0.6066000       2.726000 0.8925000       2.052000      0.8218000      0.6738000       1.213000
  1 1 1     -12  -10   35 f    2.361000      0.7001000       2.540000 1.028000       2.182000      0.9509000      0.3582000       1.400000
  1 1 1     -12   -9    1 o    13.04000      0.2083000       13.17000 0.2961000       12.91000      0.2931000      0.2615000      0.4167000
  1 1 1     -12   -9    2 f    11.98000      0.2022000       12.09000 0.2867000       11.86000      0.2852000      0.2321000      0.4044000
  1 1 1     -12   -9    3 o    4.218000      0.2421000       4.490000 0.3327000       3.945000      0.3518000      0.5447000      0.4842000
  1 1 1     -12   -9    4 o    14.99000      0.2328000       15.11000 0.3311000       14.87000      0.3273000      0.2372000      0.4655000
  1 1 1     -12   -9    5 f    14.79000      0.2311000       14.84000 0.3287000       14.74000      0.3249000      0.9617000E-01  0.4621000
  1 1 1     -12   -9    6 o    9.482000      0.1947000       9.449000 0.2760000       9.515000      0.2748000     -0.6581000E-01  0.3895000
  1 1 1     -12   -9    7 o    15.44000      0.2425000       15.48000 0.3441000       15.41000      0.3417000      0.7232000E-01  0.4849000
  1 1 1     -12   -9    8 o    13.48000      0.2255000       13.59000 0.3214000       13.36000      0.3164000      0.2267000      0.4510000
  1 1 1     -12   -9    9 o    9.624000      0.2058000       9.373000 0.2900000       9.875000      0.2922000     -0.5022000      0.4117000
  1 1 1     -12   -9   10 o    10.43000      0.2085000       10.38000 0.2975000       10.47000      0.2921000     -0.9091000E-01  0.4169000
  1 1 1     -12   -9   11 o    3.949000      0.3377000       4.627000 0.3968000       3.271000      0.5466000       1.356000      0.6754000
  1 1 1     -12   -9   12 o    9.589000      0.2159000       9.819000 0.3050000       9.359000      0.3057000      0.4600000      0.4319000
  1 1 1     -12   -9   13 o    6.572000      0.2447000       6.950000 0.3369000       6.193000      0.3550000      0.7576000      0.4894000
  1 1 1     -12   -9   14 o    7.426000      0.2340000       7.219000 0.3304000       7.633000      0.3316000     -0.4137000      0.4681000
  1 1 1     -12   -9   15 o    6.464000      0.3813000       6.727000 0.5524000       6.200000      0.5257000      0.5269000      0.7626000
  1 1 1     -12   -9   16 f    2.236000      0.5240000       2.133000 0.7365000       2.339000      0.7454000     -0.2055000       1.048000
  1 1 1     -12   -9   17 o    7.483000      0.2559000       7.177000 0.3664000       7.790000      0.3572000     -0.6129000      0.5117000
  1 1 1     -12   -9   18 o    3.456000      0.6096000       3.484000 0.8059000       3.428000      0.9150000      0.5614000E-01   1.219000
  1 1 1     -12   -9   19 o    4.034000      0.5767000       3.767000 0.7958000       4.302000      0.8348000     -0.5346000       1.153000
  1 1 1     -12   -9   20 o    6.073000      0.3093000       6.150000 0.4372000       5.996000      0.4377000      0.1538000      0.6187000
  1 1 1     -12   -9   21 o    7.857000      0.2773000       8.256000 0.3816000       7.457000      0.4025000      0.7991000      0.5546000
  1 1 1     -12   -9   22 o    2.916000      0.7568000       2.916000 0.7568000                  ?              ?              ?              ?
  1 1 1     -12   -9   23 o    10.31000      0.2645000       9.964000 0.3759000       10.66000      0.3722000     -0.6941000      0.5290000
  1 1 1     -12   -9   24 o    6.725000      0.4439000                  ?       ?   6.725000      0.4439000                  ?              ?
  1 1 1     -12   -9   25 o    8.215000      0.2903000       8.447000 0.4130000       7.982000      0.4081000      0.4643000      0.5806000
  1 1 1     -12   -9   26 o    10.09000      0.2768000       9.706000 0.3978000       10.47000      0.3849000     -0.7609000      0.5536000
  1 1 1     -12   -9   27 o    2.596000      0.6094000       2.354000 0.8616000       2.839000      0.8621000     -0.4855000       1.219000
  1 1 1     -12   -9   28 o    10.46000      0.2945000       10.05000 0.4175000       10.87000      0.4156000     -0.8195000      0.5890000
  1 1 1     -12   -9   29 o    8.616000      0.3216000       8.863000 0.4471000       8.370000      0.4623000      0.4928000      0.6432000
  1 1 1     -12   -9   30 f    3.692000      0.6175000       4.287000 0.8062000       3.098000      0.9355000       1.189000       1.235000
  1 1 1     -12   -9   31 o    2.052000      0.6218000       2.163000 0.8992000       1.942000      0.8589000      0.2205000       1.244000
  1 1 1     -12   -9   32 o    4.312000      0.7616000       4.250000 1.128000       4.374000       1.024000     -0.1246000       1.523000
  1 1 1     -12   -9   33 o    2.972000      0.6899000       3.068000 0.9675000       2.877000      0.9837000      0.1917000       1.380000
  1 1 1     -12   -9   34 o    2.544000      0.6665000       2.750000 0.9701000       2.337000      0.9143000      0.4129000       1.333000
  1 1 1     -12   -9   35 o    3.201000      0.7646000       2.847000 1.072000       3.554000       1.091000     -0.7062000       1.529000
  1 1 1     -12   -8    1 o    12.06000      0.2766000       12.65000 0.4008000       11.46000      0.3813000       1.194000      0.5532000
  1 1 1     -12   -8    2 o    9.931000      0.1848000       9.898000 0.2608000       9.965000      0.2619000     -0.6670000E-01  0.3696000
  1 1 1     -12   -8    3 o    7.649000      0.1822000       7.728000 0.2553000       7.570000      0.2600000      0.1572000      0.3644000
  1 1 1     -12   -8    4 o    2.131000      0.3882000       2.646000 0.5103000       1.616000      0.5851000       1.030000      0.7764000
  1 1 1     -12   -8    5 o    14.29000      0.2257000       14.43000 0.3213000       14.16000      0.3170000      0.2775000      0.4514000
  1 1 1     -12   -8    6 f    16.28000      0.2485000       15.94000 0.3453000       16.63000      0.3576000     -0.6904000      0.4971000
  1 1 1     -12   -8    7 o    9.164000      0.1954000       9.093000 0.2733000       9.234000      0.2793000     -0.1415000      0.3908000
  1 1 1     -12   -8    8 o    18.42000      0.2745000       18.53000 0.3898000       18.31000      0.3865000      0.2164000      0.5489000
  1 1 1     -12   -8    9 o    19.27000      0.2855000       19.35000 0.4043000       19.18000      0.4031000      0.1716000      0.5710000
  1 1 1     -12   -8   10 o    7.856000      0.2083000       8.010000 0.2900000       7.702000      0.2992000      0.3075000      0.4167000
  1 1 1     -12   -8   11 o    1.489000      0.4197000       1.857000 0.6546000       1.121000      0.5254000      0.7362000      0.8394000
  1 1 1     -12   -8   12 o    2.007000      0.4728000       1.904000 0.6615000       2.110000      0.6758000     -0.2059000      0.9457000
  1 1 1     -12   -8   13 o    4.420000      0.2914000       4.112000 0.4260000       4.728000      0.3975000     -0.6157000      0.5827000
  1 1 1     -12   -8   14 o    8.204000      0.2231000       8.116000 0.3128000       8.292000      0.3181000     -0.1766000      0.4462000
  1 1 1     -12   -8   15 o    9.282000      0.3283000       9.483000 0.4799000       9.080000      0.4481000      0.4030000      0.6566000
  1 1 1     -12   -8   16 o    2.504000      0.6198000       2.500000 0.8856000       2.508000      0.8674000     -0.7945000E-02   1.240000
  1 1 1     -12   -8   17 o    4.721000      0.3462000       4.736000 0.4771000       4.707000      0.5018000      0.2956000E-01  0.6924000
  1 1 1     -12   -8   18 f    2.604000      0.6372000       2.776000 0.8867000       2.431000      0.9154000      0.3444000       1.274000
  1 1 1     -12   -8   19 o    5.798000      0.4172000       5.754000 0.5572000       5.842000      0.6211000     -0.8751000E-01  0.8344000
  1 1 1     -12   -8   20 o    3.286000      0.4894000       3.043000 0.7315000       3.530000      0.6503000     -0.4869000      0.9788000
  1 1 1     -12   -8   21 o    6.451000      0.2984000       6.637000 0.4224000       6.265000      0.4215000      0.3725000      0.5967000
  1 1 1     -12   -8   22 o    7.655000      0.2706000       8.137000 0.3963000       7.173000      0.3686000      0.9636000      0.5412000
  1 1 1     -12   -8   23 o    11.05000      0.2602000       10.72000 0.3706000       11.39000      0.3655000     -0.6679000      0.5205000
  1 1 1     -12   -8   24 o    5.107000      0.4560000       4.369000 0.7688000       5.846000      0.4905000      -1.477000      0.9119000
  1 1 1     -12   -8   25 o    7.827000      0.2975000       7.774000 0.4320000       7.880000      0.4092000     -0.1061000      0.5950000
  1 1 1     -12   -8   26 o    9.496000      0.2821000       9.984000 0.3962000       9.007000      0.4016000      0.9763000      0.5641000
  1 1 1     -12   -8   27 o    8.471000      0.2947000       8.623000 0.4180000       8.319000      0.4155000      0.3040000      0.5893000
  1 1 1     -12   -8   28 o    4.938000      0.4535000       5.150000 0.6127000       4.726000      0.6688000      0.4246000      0.9070000
  1 1 1     -12   -8   29 o    4.421000      0.5138000       3.878000 0.8020000       4.964000      0.6425000      -1.087000       1.028000
  1 1 1     -12   -8   30 f    3.253000      0.6504000       3.825000 0.8967000       2.681000      0.9422000       1.144000       1.301000
  1 1 1     -12   -8   31 o    4.049000      0.5925000       5.389000 0.6673000       2.709000      0.9791000       2.680000       1.185000
  1 1 1     -12   -8   32 o    2.833000      0.7639000       2.659000 1.086000       3.006000       1.075000     -0.3471000       1.528000
  1 1 1     -12   -8   33 o    4.402000      0.5516000       4.642000 0.7511000       4.161000      0.8080000      0.4813000       1.103000
  1 1 1     -12   -8   34 o    2.961000      0.6831000       3.075000 0.9635000       2.846000      0.9686000      0.2288000       1.366000
  1 1 1     -12   -8   35 o    2.592000      0.7391000       2.050000 0.9431000       3.134000       1.138000      -1.084000       1.478000
  1 1 1     -12   -8   36 o    4.937000      0.6019000       5.112000 0.9875000       4.762000      0.6885000      0.3504000       1.204000
  1 1 1     -12   -7    1 o    2.621000      0.4087000       3.123000 0.5212000       2.118000      0.6296000       1.006000      0.8173000
  1 1 1     -12   -7    2 o    5.733000      0.2583000       6.063000 0.3549000       5.404000      0.3754000      0.6597000      0.5166000
  1 1 1     -12   -7    3 o    2.289000      0.3553000       1.745000 0.5479000       2.833000      0.4526000      -1.087000      0.7106000
  1 1 1     -12   -7    4 o    5.349000      0.2473000       5.304000 0.2904000       5.394000      0.4005000     -0.9011000E-01  0.4947000
  1 1 1     -12   -7    5 o    6.129000      0.1948000       6.339000 0.2725000       5.918000      0.2783000      0.4212000      0.3895000
  1 1 1     -12   -7    6 o    13.87000      0.2237000       13.76000 0.3146000       13.98000      0.3182000     -0.2132000      0.4475000
  1 1 1     -12   -7    7 o    10.02000      0.1943000       10.05000 0.2758000       10.00000      0.2739000      0.4878000E-01  0.3887000
  1 1 1     -12   -7    8 o    13.70000      0.2257000       13.73000 0.3189000       13.67000      0.3194000      0.5579000E-01  0.4513000
  1 1 1     -12   -7    9 o    12.47000      0.2174000       12.38000 0.3053000       12.57000      0.3097000     -0.1916000      0.4349000
  1 1 1     -12   -7   10 o    2.126000      0.4412000       2.518000 0.6083000       1.733000      0.6391000      0.7850000      0.8823000
  1 1 1     -12   -7   11 o    10.50000      0.2090000       10.68000 0.2979000       10.31000      0.2933000      0.3712000      0.4181000
  1 1 1     -12   -7   12 o    1.543000      0.4368000       1.223000 0.5630000       1.863000      0.6680000     -0.6404000      0.8736000
  1 1 1     -12   -7   13 o    10.87000      0.2226000       11.20000 0.3170000       10.55000      0.3126000      0.6502000      0.4452000
  1 1 1     -12   -7   14 o    5.493000      0.2704000       5.363000 0.3879000       5.624000      0.3768000     -0.2610000      0.5408000
  1 1 1     -12   -7   15 o    5.378000      0.4044000       5.084000 0.6184000       5.672000      0.5213000     -0.5876000      0.8088000
  1 1 1     -12   -7   16 o    8.586000      0.3397000       7.965000 0.5057000       9.207000      0.4539000      -1.243000      0.6795000
  1 1 1     -12   -7   17 f    3.280000      0.4575000       3.592000 0.6022000       2.968000      0.6888000      0.6235000      0.9149000
  1 1 1     -12   -7   18 o    6.640000      0.2632000       7.112000 0.3673000       6.168000      0.3770000      0.9436000      0.5263000
  1 1 1     -12   -7   19 o    7.715000      0.3537000       7.473000 0.4917000       7.957000      0.5085000     -0.4843000      0.7074000
  1 1 1     -12   -7   20 o    3.160000      0.5111000       2.538000 0.8077000       3.782000      0.6263000      -1.244000       1.022000
  1 1 1     -12   -7   21 o    11.27000      0.2520000       11.42000 0.3580000       11.13000      0.3548000      0.2953000      0.5040000
  1 1 1     -12   -7   22 o    3.543000      0.4944000       3.581000 0.7034000       3.504000      0.6951000      0.7743000E-01  0.9889000
  1 1 1     -12   -7   23 o    7.030000      0.2933000       7.234000 0.4084000       6.826000      0.4209000      0.4083000      0.5865000
  1 1 1     -12   -7   24 o    6.616000      0.3153000       6.122000 0.4758000       7.110000      0.4139000     -0.9874000      0.6306000
  1 1 1     -12   -7   25 o    10.70000      0.2669000       10.79000 0.3814000       10.61000      0.3735000      0.1790000      0.5339000
  1 1 1     -12   -7   26 o    5.061000      0.4091000       5.389000 0.5516000       4.734000      0.6042000      0.6555000      0.8181000
  1 1 1     -12   -7   27 o    6.172000      0.3540000       6.500000 0.4841000       5.843000      0.5166000      0.6577000      0.7079000
  1 1 1     -12   -7   28 o    7.464000      0.3284000       7.846000 0.4522000       7.082000      0.4763000      0.7645000      0.6567000
  1 1 1     -12   -7   29 o    2.453000      0.6301000       2.144000 0.8626000       2.763000      0.9186000     -0.6188000       1.260000
  1 1 1     -12   -7   30 o    4.779000      0.5242000       4.737000 0.7625000       4.822000      0.7195000     -0.8415000E-01   1.048000
  1 1 1     -12   -7   31 o    4.520000      0.5500000       4.685000 0.7495000       4.355000      0.8053000      0.3293000       1.100000
  1 1 1     -12   -7   32 o    4.429000      0.7269000       3.311000 1.160000       5.546000      0.8761000      -2.235000       1.454000
  1 1 1     -12   -7   33 o    5.583000      0.4532000       5.482000 0.6476000       5.685000      0.6341000     -0.2030000      0.9064000
  1 1 1     -12   -7   34 o    2.410000      0.6569000       2.069000 0.8810000       2.751000      0.9746000     -0.6822000       1.314000
  1 1 1     -12   -7   35 o    4.559000      0.7450000       4.824000 1.027000       4.295000       1.079000      0.5287000       1.490000
  1 1 1     -12   -7   36 o    3.277000      0.6654000       3.438000 0.9388000       3.116000      0.9433000      0.3224000       1.331000
  1 1 1     -12   -6    1 o    6.026000      0.1623000       6.059000 0.2294000       5.993000      0.2297000      0.6662000E-01  0.3247000
  1 1 1     -12   -6    2 o    10.70000      0.2603000       10.30000 0.3605000       11.09000      0.3755000     -0.7942000      0.5206000
  1 1 1     -12   -6    3 o    7.777000      0.1768000       7.888000 0.2476000       7.667000      0.2524000      0.2209000      0.3536000
  1 1 1     -12   -6    4 o    14.73000      0.2276000       15.03000 0.3276000       14.43000      0.3161000      0.5988000      0.4552000
  1 1 1     -12   -6    5 o    7.835000      0.1871000       7.910000 0.2653000       7.761000      0.2639000      0.1489000      0.3742000
  1 1 1     -12   -6    6 o    11.47000      0.2016000       11.41000 0.2859000       11.54000      0.2843000     -0.1241000      0.4032000
  1 1 1     -12   -6    7 o    8.760000      0.1908000       8.931000 0.2695000       8.589000      0.2702000      0.3427000      0.3816000
  1 1 1     -12   -6    8 o    15.38000      0.2966000       15.44000 0.3434000       15.33000      0.4838000      0.1170000      0.5933000
  1 1 1     -12   -6    9 o    13.92000      0.2818000       14.12000 0.3272000       13.72000      0.4590000      0.3997000      0.5637000
  1 1 1     -12   -6   10 o    2.006000      0.4469000       1.652000 0.6375000       2.360000      0.6266000     -0.7075000      0.8939000
  1 1 1     -12   -6   11 o    10.05000      0.2090000       9.449000 0.2935000       10.64000      0.2976000      -1.194000      0.4180000
  1 1 1     -12   -6   12 o    1.560000      0.4404000       1.296000 0.5776000       1.824000      0.6651000     -0.5288000      0.8809000
  1 1 1     -12   -6   13 o    8.242000      0.2180000       7.880000 0.3131000       8.604000      0.3035000     -0.7237000      0.4361000
  1 1 1     -12   -6   14 o    4.690000      0.3127000       5.418000 0.3713000       3.963000      0.5033000       1.455000      0.6255000
  1 1 1     -12   -6   15 o    7.633000      0.3318000       7.676000 0.4755000       7.591000      0.4628000      0.8568000E-01  0.6635000
  1 1 1     -12   -6   16 o    6.902000      0.3587000       7.751000 0.4992000       6.053000      0.5151000       1.699000      0.7174000
  1 1 1     -12   -6   17 o    7.224000      0.2447000       7.501000 0.3385000       6.946000      0.3536000      0.5548000      0.4895000
  1 1 1     -12   -6   18 o    10.49000      0.2372000       10.45000 0.3364000       10.54000      0.3344000     -0.8944000E-01  0.4744000
  1 1 1     -12   -6   19 o    6.883000      0.3759000       6.491000 0.5341000       7.275000      0.5292000     -0.7835000      0.7519000
  1 1 1     -12   -6   20 o    4.416000      0.3807000       4.815000 0.5051000       4.016000      0.5696000      0.7983000      0.7613000
  1 1 1     -12   -6   21 o    2.336000      0.5338000       1.817000 0.7511000       2.855000      0.7587000      -1.038000       1.068000
  1 1 1     -12   -6   22 o    19.52000      0.3098000       18.99000 0.4330000       20.04000      0.4432000      -1.048000      0.6196000
  1 1 1     -12   -6   23 o    6.477000      0.3114000       6.643000 0.4315000       6.312000      0.4492000      0.3307000      0.6229000
  1 1 1     -12   -6   24 o    10.19000      0.2650000       10.17000 0.3773000       10.22000      0.3721000     -0.5146000E-01  0.5300000
  1 1 1     -12   -6   25 o    5.980000      0.3477000       5.784000 0.5065000       6.176000      0.4766000     -0.3919000      0.6955000
  1 1 1     -12   -6   26 o    3.064000      0.5525000       2.348000 0.8427000       3.779000      0.7146000      -1.432000       1.105000
  1 1 1     -12   -6   27 o    4.872000      0.4249000       5.229000 0.5603000       4.514000      0.6390000      0.7150000      0.8499000
  1 1 1     -12   -6   28 o    6.284000      0.3608000       5.980000 0.5248000       6.588000      0.4952000     -0.6082000      0.7215000
  1 1 1     -12   -6   29 o    8.210000      0.3166000       8.278000 0.4428000       8.142000      0.4526000      0.1363000      0.6332000
  1 1 1     -12   -6   30 o    2.703000      0.6631000       2.592000 0.9342000       2.813000      0.9412000     -0.2202000       1.326000
  1 1 1     -12   -6   31 o    5.949000      0.4354000       6.151000 0.5892000       5.748000      0.6414000      0.4024000      0.8709000
  1 1 1     -12   -6   32 o    2.860000      0.7502000       3.482000 1.136000       2.237000      0.9798000       1.245000       1.500000
  1 1 1     -12   -6   33 o    3.379000      0.6275000       4.151000 0.8202000       2.607000      0.9500000       1.544000       1.255000
  1 1 1     -12   -6   34 o    3.305000      0.6433000       2.808000 0.9511000       3.801000      0.8664000     -0.9933000       1.287000
  1 1 1     -12   -6   35 o    3.616000      0.8153000       3.754000 1.151000       3.479000       1.155000      0.2755000       1.631000
  1 1 1     -12   -6   36 o    4.873000      0.5010000       5.846000 0.5963000       3.900000      0.8053000       1.947000       1.002000
  1 1 1     -12   -5    1 o    8.696000      0.1713000       8.906000 0.2444000       8.487000      0.2401000      0.4180000      0.3426000
  1 1 1     -12   -5    2 o    12.72000      0.2866000       12.46000 0.3988000       12.99000      0.4117000     -0.5262000      0.5732000
  1 1 1     -12   -5    3 o    6.129000      0.1801000       5.864000 0.2590000       6.394000      0.2503000     -0.5302000      0.3601000
  1 1 1     -12   -5    4 o    15.87000      0.2396000       15.73000 0.3362000       16.01000      0.3413000     -0.2829000      0.4791000
  1 1 1     -12   -5    5 o    21.76000      0.3095000       22.01000 0.4420000       21.52000      0.4332000      0.4841000      0.6189000
  1 1 1     -12   -5    6 o    13.65000      0.2191000       13.98000 0.3152000       13.32000      0.3045000      0.6633000      0.4383000
  1 1 1     -12   -5    7 o    13.20000      0.2166000       13.13000 0.3052000       13.26000      0.3075000     -0.1346000      0.4332000
  1 1 1     -12   -5    8 o    16.93000      0.2577000       16.53000 0.3595000       17.34000      0.3694000     -0.8117000      0.5154000
  1 1 1     -12   -5    9 o    4.818000      0.2471000       4.968000 0.3422000       4.668000      0.3566000      0.2999000      0.4943000
  1 1 1     -12   -5   10 o    13.23000      0.2238000       12.96000 0.3121000       13.51000      0.3209000     -0.5563000      0.4477000
  1 1 1     -12   -5   11 o    7.432000      0.2086000       7.372000 0.2952000       7.492000      0.2949000     -0.1204000      0.4172000
  1 1 1     -12   -5   12 o    7.188000      0.2172000       7.498000 0.3041000       6.879000      0.3101000      0.6185000      0.4343000
  1 1 1     -12   -5   13 o    11.56000      0.2198000       11.63000 0.3102000       11.50000      0.3115000      0.1342000      0.4396000
  1 1 1     -12   -5   14 o    2.903000      0.4273000       2.750000 0.6214000       3.056000      0.5866000     -0.3064000      0.8546000
  1 1 1     -12   -5   15 o    9.793000      0.3180000       9.908000 0.4606000       9.677000      0.4385000      0.2308000      0.6359000
  1 1 1     -12   -5   16 o    8.930000      0.3261000       9.284000 0.4737000       8.575000      0.4482000      0.7087000      0.6522000
  1 1 1     -12   -5   17 o    7.149000      0.2523000       7.453000 0.3507000       6.844000      0.3627000      0.6094000      0.5046000
  1 1 1     -12   -5   18 o    6.293000      0.2607000       6.269000 0.3731000       6.316000      0.3644000     -0.4703000E-01  0.5215000
  1 1 1     -12   -5   19 o    5.125000      0.4528000       5.309000 0.6103000       4.940000      0.6690000      0.3692000      0.9056000
  1 1 1     -12   -5   20 o    5.121000      0.3387000       5.559000 0.4491000       4.683000      0.5073000      0.8760000      0.6775000
  1 1 1     -12   -5   21 o    3.016000      0.5230000       2.789000 0.7725000       3.244000      0.7051000     -0.4548000       1.046000
  1 1 1     -12   -5   22 o    9.255000      0.2588000       9.395000 0.3683000       9.115000      0.3635000      0.2799000      0.5175000
  1 1 1     -12   -5   23 o    4.875000      0.5412000       4.875000 0.5412000                  ?              ?              ?              ?
  1 1 1     -12   -5   24 o    11.77000      0.2599000       11.96000 0.3701000       11.58000      0.3649000      0.3850000      0.5198000
  1 1 1     -12   -5   25 o    8.528000      0.3898000                  ?       ?   8.528000      0.3898000                  ?              ?
  1 1 1     -12   -5   26 o    6.948000      0.3092000       6.619000 0.4513000       7.277000      0.4227000     -0.6588000      0.6184000
  1 1 1     -12   -5   27 o    2.967000      0.5668000       3.727000 0.7576000       2.207000      0.8434000       1.520000       1.134000
  1 1 1     -12   -5   28 o    5.761000      0.3831000       5.677000 0.5576000       5.845000      0.5256000     -0.1678000      0.7663000
  1 1 1     -12   -5   29 o    13.29000      0.2908000       13.11000 0.4112000       13.48000      0.4114000     -0.3663000      0.5817000
  1 1 1     -12   -5   30 o    2.228000      0.6217000       1.837000 0.8206000       2.618000      0.9343000     -0.7810000       1.243000
  1 1 1     -12   -5   31 o    12.14000      0.3019000       12.46000 0.4228000       11.83000      0.4310000      0.6311000      0.6037000
  1 1 1     -12   -5   32 f    2.268000      0.6760000       2.760000 1.066000       1.776000      0.8311000      0.9843000       1.352000
  1 1 1     -12   -5   33 o    2.150000      0.6102000       2.520000 0.9273000       1.780000      0.7934000      0.7406000       1.220000
  1 1 1     -12   -5   34 o    3.160000      0.7886000       3.537000 1.119000       2.782000       1.112000      0.7550000       1.577000
  1 1 1     -12   -5   35 o    2.830000      0.7758000       2.942000 1.113000       2.718000       1.082000      0.2240000       1.552000
  1 1 1     -12   -5   36 o    4.164000      0.5571000       4.757000 0.7139000       3.571000      0.8555000       1.187000       1.114000
  1 1 1     -12   -4    1 o    18.36000      0.2641000       18.53000 0.3767000       18.20000      0.3702000      0.3321000      0.5282000
  1 1 1     -12   -4    2 o    16.60000      0.3450000       16.31000 0.4801000       16.89000      0.4955000     -0.5840000      0.6900000
  1 1 1     -12   -4    3 o    20.31000      0.2900000       20.40000 0.4108000       20.22000      0.4093000      0.1726000      0.5799000
  1 1 1     -12   -4    4 f    12.37000      0.2035000       12.46000 0.2891000       12.29000      0.2866000      0.1725000      0.4070000
  1 1 1     -12   -4    5 o    21.19000      0.3027000       20.92000 0.4240000       21.46000      0.4323000     -0.5364000      0.6055000
  1 1 1     -12   -4    6 o    11.53000      0.1997000       11.78000 0.2851000       11.29000      0.2796000      0.4984000      0.3993000
  1 1 1     -12   -4    7 o    1.649000      0.4211000       1.600000 0.5981000       1.698000      0.5931000     -0.9827000E-01  0.8423000
  1 1 1     -12   -4    8 o    3.916000      0.2750000       3.453000 0.4205000       4.379000      0.3546000     -0.9265000      0.5500000
  1 1 1     -12   -4    9 o    8.029000      0.1967000       8.517000 0.2772000       7.542000      0.2793000      0.9744000      0.3935000
  1 1 1     -12   -4   10 f    20.40000      0.3714000       19.76000 0.4118000       21.03000      0.6182000      -1.264000      0.7428000
  1 1 1     -12   -4   11 o    9.246000      0.2055000       8.996000 0.2905000       9.497000      0.2907000     -0.5008000      0.4109000
  1 1 1     -12   -4   12 o    16.03000      0.2544000       15.63000 0.3545000       16.43000      0.3651000     -0.7964000      0.5089000
  1 1 1     -12   -4   13 o    16.24000      0.2579000       16.77000 0.3723000       15.71000      0.3571000       1.065000      0.5158000
  1 1 1     -12   -4   14 o    6.308000      0.2450000       6.629000 0.3375000       5.987000      0.3554000      0.6422000      0.4901000
  1 1 1     -12   -4   15 o    9.964000      0.3141000       10.34000 0.4539000       9.584000      0.4344000      0.7599000      0.6282000
  1 1 1     -12   -4   16 o    15.54000      0.3654000       16.10000 0.5337000       14.97000      0.4993000       1.128000      0.7308000
  1 1 1     -12   -4   17 o    6.199000      0.2591000       6.435000 0.3661000       5.962000      0.3667000      0.4728000      0.5182000
  1 1 1     -12   -4   18 o    3.971000      0.5486000       4.139000 0.7060000       3.804000      0.8399000      0.3349000       1.097000
  1 1 1     -12   -4   19 o    11.88000      0.3420000       11.38000 0.4768000       12.37000      0.4906000     -0.9847000      0.6841000
  1 1 1     -12   -4   20 o    3.761000      0.4215000       4.111000 0.5387000       3.410000      0.6483000      0.7007000      0.8430000
  1 1 1     -12   -4   21 o    8.072000      0.2578000       7.913000 0.3747000       8.232000      0.3543000     -0.3198000      0.5157000
  1 1 1     -12   -4   22 o    8.102000      0.2636000       8.363000 0.3729000       7.842000      0.3726000      0.5208000      0.5272000
  1 1 1     -12   -4   23 f    7.458000      0.4071000       7.458000 0.4071000                  ?              ?              ?              ?
  1 1 1     -12   -4   24 o    6.342000      0.3092000       6.249000 0.4451000       6.435000      0.4295000     -0.1859000      0.6185000
  1 1 1     -12   -4   25 o    10.16000      0.3726000                  ?       ?   10.16000      0.3726000                  ?              ?
  1 1 1     -12   -4   26 o    3.760000      0.5033000       3.357000 0.7911000       4.164000      0.6225000     -0.8072000       1.007000
  1 1 1     -12   -4   27 o    3.023000      0.5797000       3.313000 0.8003000       2.733000      0.8388000      0.5804000       1.159000
  1 1 1     -12   -4   28 o    9.669000      0.2803000       9.950000 0.3991000       9.388000      0.3937000      0.5618000      0.5606000
  1 1 1     -12   -4   29 o    7.590000      0.3257000       7.350000 0.4709000       7.831000      0.4500000     -0.4810000      0.6514000
  1 1 1     -12   -4   30 o    4.461000      0.5279000       4.514000 0.7480000       4.408000      0.7451000      0.1058000       1.056000
  1 1 1     -12   -4   31 o    10.36000      0.4162000       10.44000 0.6082000       10.28000      0.5684000      0.1570000      0.8324000
  1 1 1     -12   -4   32 o    3.237000      0.7595000       3.544000 1.103000       2.929000       1.044000      0.6145000       1.519000
  1 1 1     -12   -4   33 o    2.096000      0.6142000       1.909000 0.8401000       2.282000      0.8962000     -0.3725000       1.228000
  1 1 1     -12   -4   34 o    4.076000      0.7910000       3.424000 1.131000       4.728000       1.106000      -1.304000       1.582000
  1 1 1     -12   -4   35 o    2.129000      0.6024000       1.849000 0.8201000       2.409000      0.8825000     -0.5595000       1.205000
  1 1 1     -12   -4   36 o    2.364000      0.6135000       1.829000 0.8102000       2.899000      0.9216000      -1.070000       1.227000
  1 1 1     -12   -3    1 o    24.87000      0.3446000       25.10000 0.4917000       24.65000      0.4830000      0.4472000      0.6892000
  1 1 1     -12   -3    2 o    23.33000      0.4610000       23.15000 0.6462000       23.51000      0.6576000     -0.3597000      0.9219000
  1 1 1     -12   -3    3 o    10.03000      0.1822000       10.01000 0.2564000       10.05000      0.2588000     -0.4496000E-01  0.3643000
  1 1 1     -12   -3    4 o    5.332000      0.1904000       4.989000 0.2756000       5.676000      0.2629000     -0.6876000      0.3809000
  1 1 1     -12   -3    5 f    8.259000      0.1820000       8.519000 0.2608000       7.999000      0.2537000      0.5194000      0.3639000
  1 1 1     -12   -3    6 o    2.646000      0.3378000       2.305000 0.5380000       2.987000      0.4088000     -0.6814000      0.6757000
  1 1 1     -12   -3    7 o    16.42000      0.2494000       16.65000 0.3557000       16.19000      0.3496000      0.4531000      0.4987000
  1 1 1     -12   -3    8 o    22.88000      0.3258000       22.72000 0.4583000       23.05000      0.4633000     -0.3312000      0.6516000
  1 1 1     -12   -3    9 o    10.88000      0.2048000       11.03000 0.2927000       10.73000      0.2864000      0.3047000      0.4095000
  1 1 1     -12   -3   10 o    12.42000      0.2677000       12.82000 0.4414000       12.02000      0.3030000      0.7977000      0.5354000
  1 1 1     -12   -3   11 f    11.23000      0.2102000       11.34000 0.3000000       11.12000      0.2947000      0.2184000      0.4205000
  1 1 1     -12   -3   12 o    16.62000      0.2604000       15.92000 0.3581000       17.33000      0.3782000      -1.412000      0.5208000
  1 1 1     -12   -3   13 o    9.015000      0.2140000       8.849000 0.2991000       9.182000      0.3061000     -0.3329000      0.4279000
  1 1 1     -12   -3   14 o    4.098000      0.3355000       4.293000 0.4489000       3.903000      0.4987000      0.3901000      0.6710000
  1 1 1     -12   -3   15 o    2.628000      0.5915000       2.398000 0.8168000       2.858000      0.8558000     -0.4597000       1.183000
  1 1 1     -12   -3   16 o    6.525000      0.3084000       6.435000 0.5159000       6.615000      0.3379000     -0.1799000      0.6167000
  1 1 1     -12   -3   17 o    7.895000      0.2355000       7.813000 0.3396000       7.976000      0.3265000     -0.1632000      0.4711000
  1 1 1     -12   -3   18 o    2.882000      0.5936000       3.468000 0.7998000       2.297000      0.8774000       1.171000       1.187000
  1 1 1     -12   -3   19 o    15.97000      0.3793000       16.21000 0.5370000       15.72000      0.5358000      0.4947000      0.7586000
  1 1 1     -12   -3   20 o    6.759000      0.2715000       6.481000 0.3991000       7.037000      0.3681000     -0.5558000      0.5429000
  1 1 1     -12   -3   21 o    2.435000      0.5296000       1.947000 0.7551000       2.923000      0.7427000     -0.9763000       1.059000
  1 1 1     -12   -3   22 o    5.661000      0.3094000       6.035000 0.4332000       5.287000      0.4417000      0.7482000      0.6187000
  1 1 1     -12   -3   23 o    15.94000      0.2781000       16.17000 0.3967000       15.71000      0.3899000      0.4575000      0.5562000
  1 1 1     -12   -3   24 o    10.15000      0.2585000       10.13000 0.3674000       10.17000      0.3639000     -0.4415000E-01  0.5171000
  1 1 1     -12   -3   25 o    1.552000      0.4912000       1.828000 0.7670000       1.276000      0.6137000      0.5519000      0.9823000
  1 1 1     -12   -3   26 o    5.438000      0.3687000       5.599000 0.5226000       5.276000      0.5202000      0.3231000      0.7374000
  1 1 1     -12   -3   27 o    2.811000      0.5083000       3.942000 0.6990000       1.680000      0.7382000       2.262000       1.017000
  1 1 1     -12   -3   28 o    8.797000      0.2869000       8.693000 0.4175000       8.900000      0.3937000     -0.2065000      0.5738000
  1 1 1     -12   -3   29 o    2.434000      0.6338000       2.551000 0.9028000       2.317000      0.8898000      0.2346000       1.268000
  1 1 1     -12   -3   30 o    5.252000      0.4439000       5.653000 0.5855000       4.851000      0.6674000      0.8024000      0.8878000
  1 1 1     -12   -3   31 o    7.506000      0.4600000       7.641000 0.6771000       7.370000      0.6229000      0.2704000      0.9200000
  1 1 1     -12   -3   32 o    4.376000      0.5184000       4.314000 0.7461000       4.438000      0.7200000     -0.1241000       1.037000
  1 1 1     -12   -3   33 o    3.060000      0.6433000       2.975000 0.9143000       3.144000      0.9052000     -0.1691000       1.287000
  1 1 1     -12   -3   34 o    2.256000      0.6951000       1.961000 0.9075000       2.552000       1.053000     -0.5905000       1.390000
  1 1 1     -12   -3   35 o    6.097000      0.3949000       6.083000 0.5676000       6.111000      0.5490000     -0.2780000E-01  0.7897000
  1 1 1     -12   -3   36 o    2.373000      0.6050000       2.985000 0.9134000       1.762000      0.7937000       1.223000       1.210000
  1 1 1     -12   -2    1 o    8.236000      0.2354000       8.560000 0.3355000       7.911000      0.3302000      0.6494000      0.4707000
  1 1 1     -12   -2    2 o    23.04000      0.4561000       23.01000 0.6433000       23.08000      0.6467000     -0.7151000E-01  0.9122000
  1 1 1     -12   -2    3 o    11.84000      0.1968000       11.91000 0.2773000       11.77000      0.2794000      0.1307000      0.3936000
  1 1 1     -12   -2    4 o    17.02000      0.2520000       16.82000 0.3522000       17.21000      0.3606000     -0.3816000      0.5041000
  1 1 1     -12   -2    5 f    16.32000      0.2450000       16.21000 0.3446000       16.44000      0.3483000     -0.2316000      0.4899000
  1 1 1     -12   -2    6 f    10.12000      0.1902000       10.16000 0.2686000       10.08000      0.2693000      0.8036000E-01  0.3804000
  1 1 1     -12   -2    7 o    8.449000      0.1862000       8.497000 0.2641000       8.401000      0.2624000      0.9541000E-01  0.3723000
  1 1 1     -12   -2    8 o    11.79000      0.2072000       11.61000 0.2914000       11.97000      0.2946000     -0.3622000      0.4143000
  1 1 1     -12   -2    9 o    6.321000      0.2157000       6.344000 0.3128000       6.298000      0.2970000      0.4622000E-01  0.4313000
  1 1 1     -12   -2   10 o    6.581000      0.2140000       6.172000 0.3109000       6.989000      0.2941000     -0.8169000      0.4279000
  1 1 1     -12   -2   11 o    7.031000      0.2099000       7.207000 0.2914000       6.854000      0.3021000      0.3530000      0.4197000
  1 1 1     -12   -2   12 o    7.433000      0.2166000       7.855000 0.3025000       7.011000      0.3103000      0.8433000      0.4333000
  1 1 1     -12   -2   13 o    3.343000      0.3652000       2.960000 0.5524000       3.727000      0.4780000     -0.7672000      0.7304000
  1 1 1     -12   -2   14 o    11.54000      0.2247000       11.43000 0.3174000       11.65000      0.3183000     -0.2225000      0.4495000
  1 1 1     -12   -2   15 o    2.304000      0.5801000       2.319000 0.8231000       2.289000      0.8178000      0.3016000E-01   1.160000
  1 1 1     -12   -2   16 o    4.540000      0.3085000       4.600000 0.4439000       4.480000      0.4284000      0.1191000      0.6169000
  1 1 1     -12   -2   17 o    11.18000      0.2363000       10.92000 0.3334000       11.44000      0.3348000     -0.5266000      0.4725000
  1 1 1     -12   -2   18 o    2.897000      0.6350000       2.891000 0.8938000       2.903000      0.9023000     -0.1227000E-01   1.270000
  1 1 1     -12   -2   19 o    5.348000      0.3057000       5.887000 0.4216000       4.810000      0.4428000       1.077000      0.6114000
  1 1 1     -12   -2   20 o    11.92000      0.2468000       11.92000 0.3519000       11.93000      0.3461000     -0.1585000E-01  0.4936000
  1 1 1     -12   -2   21 o    6.913000      0.2669000       6.496000 0.3921000       7.330000      0.3623000     -0.8349000      0.5338000
  1 1 1     -12   -2   22 o    9.147000      0.2555000       8.784000 0.3675000       9.511000      0.3552000     -0.7273000      0.5111000
  1 1 1     -12   -2   23 o    15.72000      0.3362000       15.46000 0.5469000       15.99000      0.3911000     -0.5288000      0.6724000
  1 1 1     -12   -2   24 o    9.306000      0.2669000       9.233000 0.3840000       9.378000      0.3707000     -0.1445000      0.5337000
  1 1 1     -12   -2   25 o    8.933000      0.2688000       8.723000 0.3862000       9.143000      0.3742000     -0.4204000      0.5377000
  1 1 1     -12   -2   26 o    2.819000      0.5627000       3.536000 0.7818000       2.102000      0.8095000       1.434000       1.125000
  1 1 1     -12   -2   27 o    4.122000      0.4885000       3.800000 0.7561000       4.445000      0.6186000     -0.6444000      0.9769000
  1 1 1     -12   -2   28 f    8.902000      0.2881000       8.859000 0.4072000       8.946000      0.4077000     -0.8679000E-01  0.5762000
  1 1 1     -12   -2   29 o    1.571000      0.5038000       1.371000 0.6622000       1.772000      0.7594000     -0.4015000       1.008000
  1 1 1     -12   -2   30 o    5.064000      0.4581000       5.215000 0.6463000       4.914000      0.6495000      0.3003000      0.9163000
  1 1 1     -12   -2   31 o    8.108000      0.4219000       7.453000 0.6403000       8.763000      0.5494000      -1.311000      0.8437000
  1 1 1     -12   -2   32 o    2.503000      0.6093000       3.124000 0.9096000       1.883000      0.8108000       1.241000       1.219000
  1 1 1     -12   -2   33 o    2.577000      0.6520000       2.971000 0.9484000       2.183000      0.8950000      0.7877000       1.304000
  1 1 1     -12   -2   34 o    3.015000      0.7862000       3.119000 1.128000       2.910000       1.096000      0.2091000       1.572000
  1 1 1     -12   -2   35 o    2.930000      0.6568000       3.087000 0.9414000       2.772000      0.9161000      0.3146000       1.314000
  1 1 1     -12   -2   36 o    3.019000      0.6721000       3.978000 1.016000       2.059000      0.8800000       1.919000       1.344000
  1 1 1     -12   -1    1 o    2.526000      0.4030000       2.924000 0.5362000       2.129000      0.6017000      0.7950000      0.8060000
  1 1 1     -12   -1    2 o    10.85000      0.1867000       10.84000 0.2647000       10.85000      0.2635000     -0.7518000E-02  0.3735000
  1 1 1     -12   -1    3 o    24.49000      0.3418000       24.89000 0.4905000       24.09000      0.4762000      0.7957000      0.6836000
  1 1 1     -12   -1    4 o    25.44000      0.3546000       25.68000 0.5055000       25.21000      0.4976000      0.4741000      0.7093000
  1 1 1     -12   -1    5 o    3.357000      0.2560000       3.433000 0.3577000       3.281000      0.3663000      0.1521000      0.5120000
  1 1 1     -12   -1    6 o    11.13000      0.1979000       11.29000 0.2800000       10.97000      0.2797000      0.3248000      0.3957000
  1 1 1     -12   -1    7 o    5.822000      0.1956000       5.969000 0.2779000       5.676000      0.2753000      0.2932000      0.3912000
  1 1 1     -12   -1    8 o    9.498000      0.1953000       9.495000 0.2782000       9.500000      0.2743000     -0.5575000E-02  0.3907000
  1 1 1     -12   -1    9 o    7.698000      0.1993000       8.057000 0.2780000       7.339000      0.2856000      0.7178000      0.3986000
  1 1 1     -12   -1   10 o    15.62000      0.2469000       16.17000 0.3569000       15.07000      0.3414000       1.094000      0.4939000
  1 1 1     -12   -1   11 o    3.139000      0.3461000       2.875000 0.5313000       3.403000      0.4435000     -0.5275000      0.6921000
  1 1 1     -12   -1   12 f    9.002000      0.2450000       8.767000 0.2907000       9.237000      0.3943000     -0.4705000      0.4899000
  1 1 1     -12   -1   13 o    3.118000      0.3590000       2.742000 0.5658000       3.495000      0.4422000     -0.7531000      0.7181000
  1 1 1     -12   -1   14 o    9.485000      0.2925000       9.555000 0.4225000       9.415000      0.4046000      0.1400000      0.5850000
  1 1 1     -12   -1   15 o    2.392000      0.5710000       2.248000 0.8004000       2.535000      0.8146000     -0.2869000       1.142000
  1 1 1     -12   -1   16 o    3.252000      0.4048000       3.262000 0.5802000       3.243000      0.5648000      0.1899000E-01  0.8097000
  1 1 1     -12   -1   17 o    6.661000      0.3633000       6.585000 0.5040000       6.738000      0.5234000     -0.1531000      0.7266000
  1 1 1     -12   -1   18 o    9.120000      0.3390000       8.654000 0.4715000       9.587000      0.4873000     -0.9328000      0.6781000
  1 1 1     -12   -1   19 o    3.148000      0.4324000       2.966000 0.6398000       3.330000      0.5817000     -0.3639000      0.8647000
  1 1 1     -12   -1   20 o    6.072000      0.2943000       6.004000 0.4141000       6.140000      0.4183000     -0.1353000      0.5886000
  1 1 1     -12   -1   21 o    8.407000      0.2555000       8.423000 0.3641000       8.391000      0.3586000      0.3199000E-01  0.5110000
  1 1 1     -12   -1   22 o    3.433000      0.4728000       3.456000 0.6773000       3.410000      0.6599000      0.4533000E-01  0.9457000
  1 1 1     -12   -1   23 o    6.083000      0.2892000       6.027000 0.4128000       6.139000      0.4051000     -0.1124000      0.5783000
  1 1 1     -12   -1   24 o    10.52000      0.2531000       10.83000 0.3658000       10.20000      0.3500000      0.6278000      0.5063000
  1 1 1     -12   -1   25 o    7.551000      0.2863000       7.466000 0.4076000       7.636000      0.4022000     -0.1700000      0.5726000
  1 1 1     -12   -1   26 o    11.58000      0.2706000       11.36000 0.3864000       11.81000      0.3790000     -0.4470000      0.5412000
  1 1 1     -12   -1   27 o    6.788000      0.3335000       6.689000 0.5052000       6.888000      0.4354000     -0.1994000      0.6670000
  1 1 1     -12   -1   28 o    6.173000      0.3537000       5.847000 0.5391000       6.500000      0.4582000     -0.6524000      0.7075000
  1 1 1     -12   -1   29 o    3.759000      0.5790000       3.544000 0.8651000       3.974000      0.7696000     -0.4308000       1.158000
  1 1 1     -12   -1   30 o    2.968000      0.7187000       2.554000 1.025000       3.382000       1.008000     -0.8282000       1.437000
  1 1 1     -12   -1   31 o    6.425000      0.5069000       6.529000 0.7420000       6.322000      0.6907000      0.2075000       1.014000
  1 1 1     -12   -1   32 o    2.670000      0.6288000       2.360000 0.9087000       2.980000      0.8694000     -0.6197000       1.258000
  1 1 1     -12   -1   33 o    4.712000      0.7361000       4.844000 0.9782000       4.581000       1.100000      0.2629000       1.472000
  1 1 1     -12   -1   34 o    2.348000      0.6022000       1.840000 0.8205000       2.855000      0.8816000      -1.015000       1.204000
  1 1 1     -12   -1   35 o    3.475000      0.6005000       2.630000 0.9354000       4.320000      0.7533000      -1.690000       1.201000
  1 1 1     -12    0    1 o    10.51000      0.2573000       10.47000 0.3629000       10.54000      0.3649000     -0.7608000E-01  0.5146000
  1 1 1     -12    0    2 o    10.96000      0.2318000       10.81000 0.2666000       11.11000      0.3794000     -0.2979000      0.4637000
  1 1 1     -12    0    3 o    18.27000      0.2656000       17.98000 0.3704000       18.56000      0.3807000     -0.5803000      0.5312000
  1 1 1     -12    0    4 o    12.08000      0.2002000       11.69000 0.2770000       12.47000      0.2891000     -0.7750000      0.4004000
  1 1 1     -12    0    5 o    14.81000      0.2287000       15.22000 0.3300000       14.41000      0.3167000      0.8139000      0.4574000
  1 1 1     -12    0    6 o    11.35000      0.1985000       11.18000 0.2805000       11.51000      0.2810000     -0.3324000      0.3970000
  1 1 1     -12    0    7 o    14.57000      0.2306000       14.37000 0.3234000       14.78000      0.3288000     -0.4015000      0.4612000
  1 1 1     -12    0    8 o    7.865000      0.1913000       7.896000 0.2738000       7.835000      0.2671000      0.6113000E-01  0.3825000
  1 1 1     -12    0    9 o    12.14000      0.2134000       12.13000 0.3024000       12.15000      0.3011000     -0.1968000E-01  0.4267000
  1 1 1     -12    0   10 o    21.37000      0.3108000       21.08000 0.4348000       21.66000      0.4442000     -0.5809000      0.6216000
  1 1 1     -12    0   11 o    3.218000      0.3686000       3.101000 0.5351000       3.334000      0.5071000     -0.2327000      0.7372000
  1 1 1     -12    0   12 o    1.769000      0.4101000       1.190000 0.5455000       2.349000      0.6124000      -1.158000      0.8201000
  1 1 1     -12    0   13 o    9.247000      0.2140000       9.550000 0.3044000       8.944000      0.3008000      0.6059000      0.4279000
  1 1 1     -12    0   14 o    6.343000      0.3255000       6.241000 0.4738000       6.445000      0.4464000     -0.2038000      0.6510000
  1 1 1     -12    0   15 o    2.655000      0.4679000       2.690000 0.6469000       2.620000      0.6761000      0.6992000E-01  0.9358000
  1 1 1     -12    0   16 o    2.640000      0.4437000       3.511000 0.5487000       1.769000      0.6974000       1.743000      0.8874000
  1 1 1     -12    0   17 o    6.311000      0.3594000       6.641000 0.4905000       5.982000      0.5254000      0.6588000      0.7187000
  1 1 1     -12    0   18 o    1.759000      0.4664000       2.394000 0.7566000       1.124000      0.5454000       1.270000      0.9327000
  1 1 1     -12    0   19 o    3.157000      0.4737000       3.811000 0.5828000       2.503000      0.7469000       1.308000      0.9473000
  1 1 1     -12    0   20 o    4.732000      0.3390000       4.379000 0.5215000       5.086000      0.4333000     -0.7073000      0.6780000
  1 1 1     -12    0   21 o    14.26000      0.2576000       14.54000 0.3672000       13.97000      0.3615000      0.5717000      0.5153000
  1 1 1     -12    0   22 o    10.25000      0.2466000       10.02000 0.3541000       10.48000      0.3433000     -0.4537000      0.4932000
  1 1 1     -12    0   23 o    4.281000      0.3835000       4.479000 0.5050000       4.083000      0.5773000      0.3967000      0.7670000
  1 1 1     -12    0   24 o    10.84000      0.3664000       10.84000 0.3664000                  ?              ?              ?              ?
  1 1 1     -12    0   25 o    6.812000      0.3030000       6.828000 0.4289000       6.795000      0.4281000      0.3312000E-01  0.6060000
  1 1 1     -12    0   26 o    8.396000      0.3996000                  ?       ?   8.396000      0.3996000                  ?              ?
  1 1 1     -12    0   27 f    2.384000      0.5777000       1.853000 0.7965000       2.914000      0.8369000      -1.062000       1.155000
  1 1 1     -12    0   28 o    7.730000      0.3094000       7.587000 0.4514000       7.872000      0.4233000     -0.2845000      0.6188000
  1 1 1     -12    0   29 o    4.550000      0.4612000       4.174000 0.7540000       4.926000      0.5313000     -0.7523000      0.9224000
  1 1 1     -12    0   30 o    3.956000      0.7095000       4.068000 1.020000       3.844000      0.9867000      0.2240000       1.419000
  1 1 1     -12    0   31 o    1.930000      0.5849000       2.073000 0.8655000       1.787000      0.7871000      0.2869000       1.170000
  1 1 1     -12    0   32 o    6.158000      0.3819000       5.921000 0.5845000       6.394000      0.4918000     -0.4727000      0.7639000
  1 1 1     -12    0   33 f    4.123000      0.7623000       3.682000 1.094000       4.563000       1.062000     -0.8805000       1.525000
  1 1 1     -12    0   34 o    2.696000      0.6393000       2.857000 0.9282000       2.535000      0.8794000      0.3218000       1.279000
  1 1 1     -12    0   35 o    3.316000      0.6023000       2.694000 0.9373000       3.938000      0.7566000      -1.244000       1.205000
  1 1 1     -12    1    1 o    8.390000      0.1698000       8.400000 0.2410000       8.380000      0.2392000      0.1958000E-01  0.3396000
  1 1 1     -12    1    2 o    9.179000      0.1781000       9.270000 0.2529000       9.088000      0.2507000      0.1816000      0.3561000
  1 1 1     -12    1    3 o    8.215000      0.1764000       8.330000 0.2501000       8.101000      0.2488000      0.2291000      0.3528000
  1 1 1     -12    1    4 o    14.09000      0.2213000       14.05000 0.3111000       14.13000      0.3147000     -0.7896000E-01  0.4425000
  1 1 1     -12    1    5 o    14.96000      0.2311000       14.83000 0.3243000       15.09000      0.3294000     -0.2657000      0.4622000
  1 1 1     -12    1    6 o    11.88000      0.2047000       12.15000 0.2929000       11.61000      0.2860000      0.5326000      0.4094000
  1 1 1     -12    1    7 o    4.303000      0.2437000       4.425000 0.3492000       4.180000      0.3400000      0.2452000      0.4874000
  1 1 1     -12    1    8 o    8.924000      0.1971000       8.731000 0.2775000       9.117000      0.2799000     -0.3858000      0.3942000
  1 1 1     -12    1    9 o    8.617000      0.1937000       8.318000 0.2721000       8.916000      0.2759000     -0.5979000      0.3875000
  1 1 1     -12    1   10 o    7.708000      0.1976000       7.494000 0.2796000       7.922000      0.2794000     -0.4279000      0.3953000
  1 1 1     -12    1   11 o    4.461000      0.2687000       4.204000 0.3933000       4.718000      0.3663000     -0.5134000      0.5375000
  1 1 1     -12    1   12 o    6.510000      0.2216000       6.716000 0.3116000       6.304000      0.3151000      0.4117000      0.4431000
  1 1 1     -12    1   13 o    2.802000      0.5520000       2.988000 0.7825000       2.617000      0.7786000      0.3714000       1.104000
  1 1 1     -12    1   14 f    12.07000      0.2244000       12.44000 0.3218000       11.70000      0.3129000      0.7428000      0.4489000
  1 1 1     -12    1   15 o    7.332000      0.2333000       7.175000 0.3326000       7.489000      0.3271000     -0.3144000      0.4665000
  1 1 1     -12    1   16 o    1.927000      0.5654000       1.722000 0.7533000       2.133000      0.8435000     -0.4118000       1.131000
  1 1 1     -12    1   17 o    5.607000      0.4033000       5.683000 0.5399000       5.531000      0.5993000      0.1523000      0.8066000
  1 1 1     -12    1   18 o    3.311000      0.4311000       3.650000 0.5692000       2.972000      0.6476000      0.6781000      0.8622000
  1 1 1     -12    1   19 o    4.578000      0.3301000       4.877000 0.4512000       4.279000      0.4819000      0.5976000      0.6602000
  1 1 1     -12    1   20 o    3.080000      0.4575000       3.344000 0.6146000       2.817000      0.6777000      0.5261000      0.9149000
  1 1 1     -12    1   21 o    11.99000      0.2426000       12.35000 0.3471000       11.64000      0.3389000      0.7100000      0.4851000
  1 1 1     -12    1   22 o    6.054000      0.2906000       5.969000 0.4281000       6.139000      0.3931000     -0.1690000      0.5812000
  1 1 1     -12    1   23 o    5.734000      0.3195000       6.066000 0.4242000       5.402000      0.4779000      0.6645000      0.6390000
  1 1 1     -12    1   24 o    6.848000      0.3411000       7.161000 0.4094000       6.534000      0.5457000      0.6272000      0.6822000
  1 1 1     -12    1   25 o    1.287000      0.4335000       1.203000 0.5813000       1.371000      0.6432000     -0.1678000      0.8669000
  1 1 1     -12    1   26 o    3.308000      0.7276000                  ?       ?   3.308000      0.7276000                  ?              ?
  1 1 1     -12    1   27 o    7.841000      0.2958000       8.046000 0.4349000       7.635000      0.4010000      0.4112000      0.5915000
  1 1 1     -12    1   28 o    5.528000      0.3684000       5.393000 0.5492000       5.662000      0.4911000     -0.2681000      0.7367000
  1 1 1     -12    1   29 o    4.440000      0.6409000       4.936000 0.8557000       3.944000      0.9544000      0.9924000       1.282000
  1 1 1     -12    1   30 o    2.713000      0.6964000       2.260000 0.9667000       3.165000       1.003000     -0.9049000       1.393000
  1 1 1     -12    1   31 o    1.958000      0.5924000       2.081000 0.8649000       1.834000      0.8097000      0.2471000       1.185000
  1 1 1     -12    1   32 o    9.017000      0.4669000       8.982000 0.6405000       9.051000      0.6795000     -0.6868000E-01  0.9337000
  1 1 1     -12    1   33 o    4.386000      0.5172000       4.704000 0.7029000       4.068000      0.7589000      0.6364000       1.034000
  1 1 1     -12    1   34 o    2.102000      0.6066000       2.122000 0.8634000       2.083000      0.8523000      0.3930000E-01   1.213000
  1 1 1     -12    1   35 o    3.949000      0.5407000       3.951000 0.7807000       3.948000      0.7481000      0.2988000E-02   1.081000
  1 1 1     -12    2    1 f    6.283000      0.1846000       6.711000 0.2456000       5.854000      0.2756000      0.8569000      0.3692000
  1 1 1     -12    2    2 o    6.050000      0.1846000       5.849000 0.2553000       6.251000      0.2668000     -0.4026000      0.3692000
  1 1 1     -12    2    3 o    1.358000      0.3622000       1.653000 0.5358000       1.063000      0.4875000      0.5904000      0.7244000
  1 1 1     -12    2    4 o    1.979000      0.3900000       2.297000 0.5017000       1.662000      0.5973000      0.6343000      0.7801000
  1 1 1     -12    2    5 o    9.731000      0.2321000       9.805000 0.2661000       9.656000      0.3804000      0.1496000      0.4643000
  1 1 1     -12    2    6 o    2.873000      0.3069000       3.011000 0.4136000       2.734000      0.4537000      0.2769000      0.6139000
  1 1 1     -12    2    7 o    9.864000      0.1948000       10.11000 0.2767000       9.615000      0.2742000      0.4980000      0.3895000
  1 1 1     -12    2    8 o    8.759000      0.1945000       8.399000 0.2732000       9.119000      0.2768000     -0.7202000      0.3889000
  1 1 1     -12    2    9 o    5.741000      0.2148000       5.855000 0.2984000       5.627000      0.3092000      0.2280000      0.4297000
  1 1 1     -12    2   10 o    8.081000      0.2059000       8.321000 0.2906000       7.842000      0.2919000      0.4793000      0.4119000
  1 1 1     -12    2   11 o    6.022000      0.2139000       5.919000 0.3009000       6.124000      0.3041000     -0.2051000      0.4278000
  1 1 1     -12    2   12 o    3.904000      0.4273000       3.986000 0.6109000       3.821000      0.5976000      0.1656000      0.8546000
  1 1 1     -12    2   13 o    8.651000      0.3028000       8.135000 0.4423000       9.168000      0.4138000      -1.033000      0.6057000
  1 1 1     -12    2   14 o    9.032000      0.2198000       8.906000 0.3124000       9.158000      0.3094000     -0.2525000      0.4397000
  1 1 1     -12    2   15 o    2.189000      0.5716000       1.841000 0.7819000       2.538000      0.8341000     -0.6969000       1.143000
  1 1 1     -12    2   17 o    8.169000      0.2308000       8.553000 0.3262000       7.784000      0.3266000      0.7692000      0.4616000
  1 1 1     -12    2   18 o    9.703000      0.2318000       9.781000 0.3284000       9.625000      0.3273000      0.1559000      0.4637000
  1 1 1     -12    2   19 o    10.14000      0.2383000       10.15000 0.3367000       10.12000      0.3372000      0.2873000E-01  0.4765000
  1 1 1     -12    2   20 o    3.863000      0.4076000       4.173000 0.5316000       3.553000      0.6179000      0.6193000      0.8151000
  1 1 1     -12    2   21 o    9.737000      0.2416000       10.16000 0.3431000       9.309000      0.3403000      0.8555000      0.4832000
  1 1 1     -12    2   22 o    2.302000      0.5199000       1.974000 0.7409000       2.629000      0.7295000     -0.6550000       1.040000
  1 1 1     -12    2   23 o    4.495000      0.3775000       5.023000 0.4722000       3.967000      0.5891000       1.056000      0.7550000
  1 1 1     -12    2   24 o    3.503000      0.4707000       4.389000 0.5311000       2.617000      0.7771000       1.772000      0.9413000
  1 1 1     -12    2   25 o    8.994000      0.2677000       8.919000 0.3806000       9.070000      0.3765000     -0.1508000      0.5353000
  1 1 1     -12    2   26 o    3.654000      0.4973000       3.492000 0.7547000       3.816000      0.6480000     -0.3236000      0.9947000
  1 1 1     -12    2   27 o    5.578000      0.3655000       5.730000 0.5177000       5.427000      0.5161000      0.3036000      0.7310000
  1 1 1     -12    2   28 o    4.615000      0.4678000       4.862000 0.6365000       4.367000      0.6857000      0.4953000      0.9355000
  1 1 1     -12    2   29 o    3.609000      0.6869000       4.163000 0.9683000       3.055000      0.9747000       1.108000       1.374000
  1 1 1     -12    2   30 o    2.731000      0.6370000       2.657000 0.9030000       2.806000      0.8986000     -0.1496000       1.274000
  1 1 1     -12    2   31 f    3.678000      0.5601000       4.484000 0.6731000       2.872000      0.8955000       1.613000       1.120000
  1 1 1     -12    2   32 o    5.667000      0.6441000       6.076000 0.8336000       5.257000      0.9822000      0.8186000       1.288000
  1 1 1     -12    2   33 o    4.526000      0.4929000       4.475000 0.7121000       4.578000      0.6819000     -0.1036000      0.9859000
  1 1 1     -12    2   34 o    1.856000      0.5702000       1.720000 0.7792000       1.991000      0.8328000     -0.2717000       1.140000
  1 1 1     -12    2   35 o    2.380000      0.6076000       2.109000 0.8624000       2.652000      0.8561000     -0.5425000       1.215000
  1 1 1     -12    3    1 o    12.61000      0.2529000       12.75000 0.4123000       12.47000      0.2928000      0.2746000      0.5057000
  1 1 1     -12    3    2 o    13.17000      0.2117000       12.87000 0.2921000       13.47000      0.3065000     -0.6021000      0.4234000
  1 1 1     -12    3    3 o    21.57000      0.3081000       21.83000 0.4385000       21.32000      0.4328000      0.5132000      0.6161000
  1 1 1     -12    3    4 o    8.511000      0.1890000       8.876000 0.2577000       8.145000      0.2766000      0.7317000      0.3780000
  1 1 1     -12    3    5 o    14.36000      0.2301000       14.65000 0.3252000       14.07000      0.3257000      0.5817000      0.4603000
  1 1 1     -12    3    6 o    6.870000      0.2043000       6.755000 0.2861000       6.985000      0.2918000     -0.2304000      0.4086000
  1 1 1     -12    3    7 o    14.77000      0.2367000       14.68000 0.3294000       14.85000      0.3400000     -0.1700000      0.4734000
  1 1 1     -12    3    8 f    6.894000      0.2126000       7.296000 0.2840000       6.492000      0.3164000      0.8039000      0.4251000
  1 1 1     -12    3    9 o    2.566000      0.4152000       2.532000 0.5609000       2.601000      0.6122000     -0.6966000E-01  0.8303000
  1 1 1     -12    3   10 o    8.954000      0.2163000       9.338000 0.2963000       8.569000      0.3151000      0.7695000      0.4325000
  1 1 1     -12    3   11 o    2.695000      0.7849000       2.695000 0.7849000                  ?              ?              ?              ?
  1 1 1     -12    3   12 o    8.150000      0.2968000       7.970000 0.4383000       8.329000      0.4003000     -0.3584000      0.5936000
  1 1 1     -12    3   13 o    10.33000      0.2152000       10.06000 0.3028000       10.60000      0.3060000     -0.5435000      0.4305000
  1 1 1     -12    3   14 o    4.964000      0.2426000       5.171000 0.3385000       4.758000      0.3475000      0.4134000      0.4851000
  1 1 1     -12    3   15 o    3.347000      0.5286000       4.166000 0.6354000       2.529000      0.8451000       1.637000       1.057000
  1 1 1     -12    3   16 o    2.988000      0.4359000       2.615000 0.6720000       3.361000      0.5555000     -0.7457000      0.8719000
  1 1 1     -12    3   17 o    7.808000      0.2358000       7.861000 0.3350000       7.755000      0.3320000      0.1065000      0.4716000
  1 1 1     -12    3   18 o    11.90000      0.2356000       12.03000 0.3355000       11.78000      0.3309000      0.2526000      0.4712000
  1 1 1     -12    3   19 o    4.255000      0.3596000       4.370000 0.5005000       4.139000      0.5165000      0.2306000      0.7192000
  1 1 1     -12    3   20 o    3.190000      0.4791000       3.037000 0.7087000       3.344000      0.6449000     -0.3070000      0.9582000
  1 1 1     -12    3   21 o    3.625000      0.4111000       3.570000 0.5983000       3.681000      0.5639000     -0.1115000      0.8222000
  1 1 1     -12    3   22 o    3.121000      0.4352000       2.847000 0.6482000       3.394000      0.5810000     -0.5474000      0.8705000
  1 1 1     -12    3   23 o    6.105000      0.2852000       6.139000 0.4109000       6.071000      0.3957000      0.6872000E-01  0.5704000
  1 1 1     -12    3   24 o    4.675000      0.3603000       4.706000 0.5067000       4.645000      0.5123000      0.6078000E-01  0.7206000
  1 1 1     -12    3   25 o    5.245000      0.3612000       5.664000 0.4628000       4.826000      0.5547000      0.8374000      0.7224000
  1 1 1     -12    3   26 o    5.148000      0.3893000       5.771000 0.4884000       4.524000      0.6064000       1.247000      0.7786000
  1 1 1     -12    3   27 o    2.038000      0.5825000       2.223000 0.8626000       1.853000      0.7831000      0.3703000       1.165000
  1 1 1     -12    3   28 o    2.464000      0.6780000       2.623000 0.9974000       2.304000      0.9187000      0.3190000       1.356000
  1 1 1     -12    3   29 o    3.259000      0.6072000       3.669000 0.8306000       2.849000      0.8860000      0.8203000       1.214000
  1 1 1     -12    3   30 o    1.513000      0.5045000       1.481000 0.7018000       1.545000      0.7250000     -0.6405000E-01   1.009000
  1 1 1     -12    3   31 o    3.954000      0.8034000       4.191000 1.080000       3.717000       1.190000      0.4744000       1.607000
  1 1 1     -12    3   32 o    3.979000      0.5425000       3.552000 0.8565000       4.407000      0.6661000     -0.8547000       1.085000
  1 1 1     -12    3   33 f    4.337000      0.5258000       5.437000 0.5769000       3.236000      0.8792000       2.201000       1.052000
  1 1 1     -12    3   34 o    2.332000      0.6360000       2.304000 0.8998000       2.360000      0.8992000     -0.5673000E-01   1.272000
  1 1 1     -12    3   35 o    3.437000      0.7866000       2.921000 1.145000       3.954000       1.079000      -1.033000       1.573000
  1 1 1     -12    4    1 o    4.334000      0.2353000       4.419000 0.3252000       4.249000      0.3402000      0.1696000      0.4706000
  1 1 1     -12    4    2 o    11.34000      0.2013000       11.30000 0.2858000       11.39000      0.2835000     -0.9892000E-01  0.4025000
  1 1 1     -12    4    3 o    5.229000      0.3337000       4.986000 0.5016000       5.471000      0.4402000     -0.4856000      0.6674000
  1 1 1     -12    4    4 o    4.256000      0.2524000       4.328000 0.3515000       4.184000      0.3624000      0.1436000      0.5048000
  1 1 1     -12    4    5 o    5.275000      0.2176000       4.776000 0.3063000       5.774000      0.3090000     -0.9974000      0.4351000
  1 1 1     -12    4    6 o    17.77000      0.2670000       17.71000 0.3741000       17.82000      0.3811000     -0.1162000      0.5340000
  1 1 1     -12    4    7 o    13.71000      0.2284000       13.34000 0.3129000       14.09000      0.3327000     -0.7574000      0.4567000
  1 1 1     -12    4    8 o    7.990000      0.2076000       8.185000 0.2824000       7.794000      0.3043000      0.3914000      0.4151000
  1 1 1     -12    4    9 f    9.474000      0.2087000       9.917000 0.2861000       9.031000      0.3040000      0.8864000      0.4175000
  1 1 1     -12    4   10 o    8.684000      0.3066000       9.125000 0.4163000       8.243000      0.4501000      0.8820000      0.6132000
  1 1 1     -12    4   11 f    14.71000      0.3515000       14.46000 0.4820000       14.95000      0.5118000     -0.4920000      0.7030000
  1 1 1     -12    4   12 o    5.493000      0.2514000       5.519000 0.3429000       5.467000      0.3678000      0.5222000E-01  0.5028000
  1 1 1     -12    4   13 o    6.654000      0.2489000       6.841000 0.3325000       6.468000      0.3706000      0.3727000      0.4979000
  1 1 1     -12    4   14 o    3.802000      0.4904000       3.261000 0.7495000       4.343000      0.6327000      -1.083000      0.9808000
  1 1 1     -12    4   15 o    2.563000      0.4578000       1.666000 0.6664000       3.461000      0.6279000      -1.795000      0.9156000
  1 1 1     -12    4   16 o    2.806000      0.4798000       2.959000 0.6104000       2.654000      0.7404000      0.3052000      0.9596000
  1 1 1     -12    4   17 o    7.377000      0.2521000       7.141000 0.3403000       7.613000      0.3721000     -0.4723000      0.5042000
  1 1 1     -12    4   18 o    7.462000      0.2572000       6.993000 0.3511000       7.931000      0.3759000     -0.9376000      0.5143000
  1 1 1     -12    4   19 o    3.647000      0.4188000       3.635000 0.5909000       3.659000      0.5937000     -0.2428000E-01  0.8376000
  1 1 1     -12    4   20 f    5.562000      0.3165000       5.983000 0.4021000       5.142000      0.4890000      0.8412000      0.6331000
  1 1 1     -12    4   21 o    9.478000      0.3013000       9.536000 0.3394000       9.419000      0.4978000      0.1168000      0.6025000
  1 1 1     -12    4   22 o    8.796000      0.2543000       8.658000 0.3631000       8.935000      0.3560000     -0.2775000      0.5085000
  1 1 1     -12    4   23 o    3.654000      0.4465000       3.836000 0.6344000       3.472000      0.6285000      0.3643000      0.8930000
  1 1 1     -12    4   24 o    4.724000      0.3630000       4.416000 0.5455000       5.031000      0.4792000     -0.6152000      0.7260000
  1 1 1     -12    4   25 o    6.614000      0.3128000       7.122000 0.3989000       6.106000      0.4820000       1.016000      0.6257000
  1 1 1     -12    4   26 o    2.629000      0.4921000       3.659000 0.6905000       1.600000      0.7014000       2.059000      0.9842000
  1 1 1     -12    4   27 o    3.738000      0.5565000       3.146000 0.8398000       4.330000      0.7304000      -1.185000       1.113000
  1 1 1     -12    4   28 o    6.308000      0.4655000       6.287000 0.6825000       6.329000      0.6333000     -0.4238000E-01  0.9311000
  1 1 1     -12    4   29 o    6.540000      0.3594000       6.555000 0.5043000       6.524000      0.5123000      0.3124000E-01  0.7189000
  1 1 1     -12    4   30 o    4.510000      0.7407000       4.003000 1.082000       5.017000       1.012000      -1.014000       1.481000
  1 1 1     -12    4   31 f    3.289000      0.5818000       2.949000 0.8598000       3.630000      0.7842000     -0.6807000       1.164000
  1 1 1     -12    4   32 o    5.119000      0.3993000       5.366000 0.5502000       4.871000      0.5787000      0.4951000      0.7986000
  1 1 1     -12    4   33 o    2.779000      0.6104000       2.727000 0.8862000       2.832000      0.8396000     -0.1050000       1.221000
  1 1 1     -12    4   34 o    4.273000      0.4796000       4.812000 0.5972000       3.735000      0.7507000       1.077000      0.9593000
  1 1 1     -12    5    1 o    8.807000      0.1864000       8.865000 0.2650000       8.749000      0.2622000      0.1153000      0.3728000
  1 1 1     -12    5    2 o    6.277000      0.1970000       6.499000 0.2771000       6.054000      0.2800000      0.4450000      0.3939000
  1 1 1     -12    5    3 o    6.704000      0.1964000       6.878000 0.2780000       6.531000      0.2775000      0.3469000      0.3928000
  1 1 1     -12    5    4 o    2.098000      0.4358000       1.995000 0.6319000       2.200000      0.6004000     -0.2048000      0.8717000
  1 1 1     -12    5    5 o    7.834000      0.2031000       7.671000 0.2886000       7.997000      0.2857000     -0.3262000      0.4061000
  1 1 1     -12    5    6 o    9.703000      0.2083000       9.665000 0.2949000       9.741000      0.2942000     -0.7603000E-01  0.4166000
  1 1 1     -12    5    7 o    6.273000      0.2360000       6.489000 0.3355000       6.056000      0.3321000      0.4332000      0.4721000
  1 1 1     -12    5    8 o    4.520000      0.2607000       4.431000 0.3540000       4.609000      0.3827000     -0.1775000      0.5213000
  1 1 1     -12    5    9 o    10.96000      0.3123000       11.42000 0.4279000       10.51000      0.4551000      0.9132000      0.6247000
  1 1 1     -12    5   10 o    5.954000      0.3524000       6.235000 0.4243000       5.674000      0.5627000      0.5607000      0.7047000
  1 1 1     -12    5   11 o    8.369000      0.2200000       8.704000 0.2927000       8.035000      0.3285000      0.6685000      0.4400000
  1 1 1     -12    5   12 o    2.036000      0.4410000       1.846000 0.5792000       2.226000      0.6652000     -0.3804000      0.8821000
  1 1 1     -12    5   13 o    5.950000      0.3530000       5.901000 0.4930000       5.999000      0.5052000     -0.9730000E-01  0.7059000
  1 1 1     -12    5   14 f    3.212000      0.4192000       3.630000 0.4864000       2.794000      0.6829000      0.8353000      0.8384000
  1 1 1     -12    5   15 o    5.943000      0.2784000       5.960000 0.3606000       5.927000      0.4243000      0.3302000E-01  0.5569000
  1 1 1     -12    5   16 o    3.988000      0.3702000       3.959000 0.5001000       4.017000      0.5460000     -0.5776000E-01  0.7404000
  1 1 1     -12    5   17 o    5.044000      0.3236000       5.117000 0.4144000       4.972000      0.4970000      0.1445000      0.6471000
  1 1 1     -12    5   18 o    6.630000      0.2732000       6.900000 0.3413000       6.359000      0.4266000      0.5405000      0.5463000
  1 1 1     -12    5   19 o    6.537000      0.2882000       6.647000 0.3784000       6.427000      0.4347000      0.2203000      0.5763000
  1 1 1     -12    5   20 o    3.911000      0.4137000       3.914000 0.5183000       3.907000      0.6451000      0.6723000E-02  0.8275000
  1 1 1     -12    5   21 o    5.921000      0.3133000       5.831000 0.4334000       6.011000      0.4526000     -0.1796000      0.6267000
  1 1 1     -12    5   22 o    2.765000      0.5596000       2.919000 0.7517000       2.611000      0.8292000      0.3073000       1.119000
  1 1 1     -12    5   23 o    4.861000      0.3857000       4.866000 0.4867000       4.855000      0.5985000      0.1147000E-01  0.7714000
  1 1 1     -12    5   24 o    8.842000      0.2793000       9.102000 0.3660000       8.582000      0.4221000      0.5198000      0.5587000
  1 1 1     -12    5   25 o    8.772000      0.3947000       8.772000 0.3947000                  ?              ?              ?              ?
  1 1 1     -12    5   26 o    8.362000      0.4295000       8.496000 0.5074000       8.228000      0.6931000      0.2680000      0.8590000
  1 1 1     -12    5   27 o    4.861000       1.117000                  ?       ?   4.861000       1.117000                  ?              ?
  1 1 1     -12    5   28 o    8.715000      0.3294000       8.981000 0.4325000       8.449000      0.4970000      0.5316000      0.6588000
  1 1 1     -12    5   29 o    2.531000      0.6938000       2.010000 0.8966000       3.052000       1.059000      -1.042000       1.388000
  1 1 1     -12    5   30 o    4.485000      0.6970000       5.107000 0.8985000       3.863000       1.066000       1.244000       1.394000
  1 1 1     -12    5   31 o    3.066000      0.6109000       3.897000 0.7969000       2.236000      0.9261000       1.661000       1.222000
  1 1 1     -12    5   32 o    2.491000      0.6213000       1.944000 0.8351000       3.038000      0.9202000      -1.094000       1.243000
  1 1 1     -12    5   33 o    2.659000      0.6478000       2.891000 0.9264000       2.428000      0.9058000      0.4630000       1.296000
  1 1 1     -12    5   34 o    5.388000      0.4246000       5.655000 0.5630000       5.121000      0.6357000      0.5337000      0.8492000
  1 1 1     -12    6    1 o    6.250000      0.1927000       6.590000 0.2710000       5.909000      0.2739000      0.6806000      0.3853000
  1 1 1     -12    6    2 f    9.489000      0.1933000       9.540000 0.2738000       9.437000      0.2728000      0.1028000      0.3865000
  1 1 1     -12    6    3 o    6.755000      0.1994000       6.872000 0.2783000       6.638000      0.2856000      0.2338000      0.3988000
  1 1 1     -12    6    4 o    13.80000      0.2278000       13.86000 0.3243000       13.73000      0.3200000      0.1278000      0.4557000
  1 1 1     -12    6    5 o    4.650000      0.2579000       4.890000 0.3612000       4.411000      0.3682000      0.4787000      0.5158000
  1 1 1     -12    6    6 o    6.981000      0.2140000       7.123000 0.3018000       6.838000      0.3035000      0.2852000      0.4280000
  1 1 1     -12    6    7 o    10.44000      0.2144000       10.50000 0.3071000       10.39000      0.2992000      0.1147000      0.4288000
  1 1 1     -12    6    8 o    3.698000      0.4513000       2.869000 0.6656000       4.528000      0.6097000      -1.659000      0.9027000
  1 1 1     -12    6    9 o    3.836000      0.3811000       3.859000 0.5879000       3.813000      0.4852000      0.4570000E-01  0.7623000
  1 1 1     -12    6   10 o    5.988000      0.2767000       6.209000 0.4145000       5.767000      0.3666000      0.4419000      0.5534000
  1 1 1     -12    6   11 o    2.116000      0.5578000       2.303000 0.7753000       1.929000      0.8022000      0.3734000       1.116000
  1 1 1     -12    6   12 o    3.765000      0.4749000       4.641000 0.5575000       2.890000      0.7691000       1.751000      0.9499000
  1 1 1     -12    6   13 o    2.074000      0.4786000       1.689000 0.6561000       2.460000      0.6971000     -0.7715000      0.9573000
  1 1 1     -12    6   14 o    4.531000      0.3262000       4.706000 0.4040000       4.357000      0.5123000      0.3495000      0.6525000
  1 1 1     -12    6   15 o    8.691000      0.2346000       8.511000 0.3189000       8.870000      0.3442000     -0.3581000      0.4693000
  1 1 1     -12    6   16 o    6.784000      0.2582000       6.307000 0.3542000       7.261000      0.3757000     -0.9536000      0.5164000
  1 1 1     -12    6   17 o    9.941000      0.2392000       9.724000 0.3262000       10.16000      0.3498000     -0.4338000      0.4783000
  1 1 1     -12    6   18 f    14.39000      0.2597000       14.82000 0.3636000       13.95000      0.3709000      0.8712000      0.5194000
  1 1 1     -12    6   19 o    8.168000      0.2570000       8.230000 0.3445000       8.106000      0.3816000      0.1232000      0.5141000
  1 1 1     -12    6   20 o    5.546000      0.3356000       5.976000 0.4223000       5.117000      0.5216000      0.8594000      0.6711000
  1 1 1     -12    6   21 o    4.488000      0.3875000       4.310000 0.5035000       4.666000      0.5892000     -0.3556000      0.7750000
  1 1 1     -12    6   22 o    3.119000      0.5477000       3.080000 0.7225000       3.158000      0.8234000     -0.7790000E-01   1.095000
  1 1 1     -12    6   23 o    7.376000      0.2970000       7.164000 0.3851000       7.588000      0.4522000     -0.4233000      0.5940000
  1 1 1     -12    6   24 o    2.179000      0.5604000       1.566000 0.6931000       2.791000      0.8807000      -1.225000       1.121000
  1 1 1     -12    6   25 o    4.475000      0.3914000       3.722000 0.6172000       5.229000      0.4816000      -1.508000      0.7829000
  1 1 1     -12    6   26 o    3.779000      0.6864000       2.552000 0.9185000       5.006000       1.020000      -2.454000       1.373000
  1 1 1     -12    6   27 o    6.618000      0.3909000       6.320000 0.5604000       6.916000      0.5451000     -0.5959000      0.7818000
  1 1 1     -12    6   28 o    4.629000      0.6230000       3.982000 1.104000       5.276000      0.5780000      -1.294000       1.246000
  1 1 1     -12    6   29 o    2.677000      0.7498000       2.536000 1.015000       2.819000       1.104000     -0.2835000       1.500000
  1 1 1     -12    6   30 o    5.466000      0.4644000       5.474000 0.6008000       5.458000      0.7083000      0.1548000E-01  0.9288000
  1 1 1     -12    6   31 o    5.714000      0.4373000       5.510000 0.6104000       5.918000      0.6263000     -0.4084000      0.8746000
  1 1 1     -12    6   32 o    2.189000      0.6062000       2.077000 0.8468000       2.301000      0.8676000     -0.2239000       1.212000
  1 1 1     -12    6   33 o    2.788000      0.6336000       3.010000 0.9091000       2.565000      0.8828000      0.4451000       1.267000
  1 1 1     -12    7    1 o    4.150000      0.3589000       4.020000 0.6395000       4.280000      0.3260000     -0.2600000      0.7178000
  1 1 1     -12    7    2 o    8.191000      0.1926000       8.281000 0.2703000       8.101000      0.2744000      0.1808000      0.3852000
  1 1 1     -12    7    3 o    12.50000      0.2156000       12.31000 0.3049000       12.69000      0.3050000     -0.3798000      0.4312000
  1 1 1     -12    7    4 o    6.490000      0.2061000       6.317000 0.3024000       6.663000      0.2801000     -0.3462000      0.4122000
  1 1 1     -12    7    5 o    4.460000      0.2702000       4.172000 0.4011000       4.749000      0.3622000     -0.5769000      0.5404000
  1 1 1     -12    7    6 o    6.849000      0.2946000       6.609000 0.3811000       7.088000      0.4495000     -0.4784000      0.5893000
  1 1 1     -12    7    7 o    4.113000      0.4235000       4.183000 0.5209000       4.043000      0.6679000      0.1402000      0.8470000
  1 1 1     -12    7    8 o    6.911000      0.2291000       6.633000 0.3287000       7.190000      0.3191000     -0.5571000      0.4581000
  1 1 1     -12    7    9 o    5.398000      0.2692000       5.347000 0.3834000       5.448000      0.3779000     -0.1011000      0.5384000
  1 1 1     -12    7   10 o    14.50000      0.3572000       14.01000 0.5165000       14.99000      0.4936000     -0.9800000      0.7144000
  1 1 1     -12    7   11 o    4.358000      0.4919000       4.256000 0.7991000       4.459000      0.5739000     -0.2026000      0.9838000
  1 1 1     -12    7   12 o    2.983000      0.4685000       2.743000 0.6911000       3.222000      0.6328000     -0.4793000      0.9371000
  1 1 1     -12    7   13 f    8.485000      0.2355000       8.835000 0.3097000       8.136000      0.3550000      0.6989000      0.4711000
  1 1 1     -12    7   14 o    5.297000      0.2834000       4.952000 0.3832000       5.641000      0.4176000     -0.6892000      0.5668000
  1 1 1     -12    7   15 o    3.818000      0.3597000       3.335000 0.5167000       4.302000      0.5005000     -0.9671000      0.7194000
  1 1 1     -12    7   16 o    9.094000      0.2395000       9.498000 0.3131000       8.691000      0.3626000      0.8069000      0.4790000
  1 1 1     -12    7   17 o    15.27000      0.2652000       15.55000 0.3696000       14.99000      0.3803000      0.5589000      0.5303000
  1 1 1     -12    7   18 o    4.805000      0.3368000       4.490000 0.4666000       5.120000      0.4858000     -0.6301000      0.6735000
  1 1 1     -12    7   19 o    5.731000      0.3072000       5.737000 0.4151000       5.725000      0.4529000      0.1212000E-01  0.6143000
  1 1 1     -12    7   20 o    3.671000      0.4459000       3.490000 0.5888000       3.852000      0.6697000     -0.3616000      0.8917000
  1 1 1     -12    7   21 o    10.32000      0.2593000       10.40000 0.3497000       10.24000      0.3830000      0.1578000      0.5186000
  1 1 1     -12    7   22 o    10.09000      0.2703000       9.690000 0.3687000       10.48000      0.3955000     -0.7922000      0.5407000
  1 1 1     -12    7   23 o    8.490000      0.2828000       8.180000 0.3687000       8.801000      0.4290000     -0.6207000      0.5656000
  1 1 1     -12    7   24 o    8.489000      0.4122000       8.405000 0.4892000       8.573000      0.6636000     -0.1678000      0.8245000
  1 1 1     -12    7   25 o    2.193000      0.6730000       2.138000 0.8975000       2.249000       1.003000     -0.1117000       1.346000
  1 1 1     -12    7   26 o    9.259000      0.3004000       8.883000 0.3927000       9.635000      0.4546000     -0.7514000      0.6007000
  1 1 1     -12    7   27 o    4.460000      0.6182000       4.650000 0.9658000       4.269000      0.7720000      0.3807000       1.236000
  1 1 1     -12    7   28 o    7.424000      0.4990000       7.394000 0.6903000       7.453000      0.7208000     -0.5906000E-01  0.9980000
  1 1 1     -12    7   29 o    2.027000      0.5816000       1.476000 0.6903000       2.577000      0.9363000      -1.101000       1.163000
  1 1 1     -12    7   30 o    8.503000      0.3293000       8.718000 0.4262000       8.289000      0.5021000      0.4286000      0.6586000
  1 1 1     -12    7   31 f    7.576000      0.3627000       8.485000 0.4618000       6.667000      0.5594000       1.818000      0.7254000
  1 1 1     -12    7   32 o    2.328000      0.6300000       2.209000 0.8920000       2.448000      0.8899000     -0.2391000       1.260000
  1 1 1     -12    7   33 o    2.746000      0.6484000       2.595000 0.9189000       2.897000      0.9150000     -0.3022000       1.297000
  1 1 1     -12    8    1 o    4.228000      0.2395000       4.298000 0.3304000       4.158000      0.3468000      0.1395000      0.4790000
  1 1 1     -12    8    2 o    10.72000      0.2005000       10.64000 0.2847000       10.81000      0.2825000     -0.1704000      0.4011000
  1 1 1     -12    8    3 o    6.419000      0.2082000       6.552000 0.2920000       6.286000      0.2970000      0.2663000      0.4165000
  1 1 1     -12    8    4 o    7.891000      0.2063000       7.765000 0.2978000       8.017000      0.2855000     -0.2526000      0.4125000
  1 1 1     -12    8    5 o    2.447000      0.5208000       2.166000 0.6941000       2.728000      0.7766000     -0.5616000       1.042000
  1 1 1     -12    8    6 f    7.099000      0.2430000       7.500000 0.3792000       6.698000      0.3040000      0.8026000      0.4860000
  1 1 1     -12    8    7 o    8.899000      0.2128000       8.701000 0.3048000       9.097000      0.2970000     -0.3957000      0.4255000
  1 1 1     -12    8    8 o    2.172000      0.5358000       2.958000 0.9008000       1.385000      0.5804000       1.573000       1.072000
  1 1 1     -12    8    9 o    9.768000      0.3234000       10.19000 0.4923000       9.351000      0.4194000      0.8355000      0.6467000
  1 1 1     -12    8   10 o    14.81000      0.2560000       14.74000 0.3637000       14.88000      0.3604000     -0.1376000      0.5120000
  1 1 1     -12    8   11 o    9.272000      0.2814000       9.294000 0.3450000       9.251000      0.4447000      0.4337000E-01  0.5629000
  1 1 1     -12    8   12 o    2.123000      0.5091000       2.155000 0.7135000       2.092000      0.7264000      0.6369000E-01   1.018000
  1 1 1     -12    8   13 o    11.59000      0.2412000       11.61000 0.3384000       11.57000      0.3439000      0.3904000E-01  0.4825000
  1 1 1     -12    8   14 o    4.935000      0.3297000       5.039000 0.4588000       4.831000      0.4735000      0.2071000      0.6593000
  1 1 1     -12    8   15 o    14.43000      0.3065000       14.05000 0.4873000       14.81000      0.3721000     -0.7650000      0.6131000
  1 1 1     -12    8   16 o    15.57000      0.2658000       15.32000 0.3648000       15.81000      0.3866000     -0.4892000      0.5315000
  1 1 1     -12    8   17 o    3.756000      0.4306000       3.767000 0.5571000       3.744000      0.6567000      0.2266000E-01  0.8611000
  1 1 1     -12    8   18 o    7.422000      0.2658000       7.510000 0.3490000       7.334000      0.4010000      0.1762000      0.5316000
  1 1 1     -12    8   19 o    7.614000      0.2730000       7.929000 0.3393000       7.298000      0.4278000      0.6305000      0.5460000
  1 1 1     -12    8   20 o    12.82000      0.2602000       12.63000 0.3509000       13.01000      0.3844000     -0.3887000      0.5205000
  1 1 1     -12    8   21 o    10.83000      0.2671000       10.54000 0.3590000       11.12000      0.3955000     -0.5710000      0.5341000
  1 1 1     -12    8   22 o    7.043000      0.2959000       6.921000 0.3820000       7.165000      0.4520000     -0.2436000      0.5918000
  1 1 1     -12    8   23 o    5.672000      0.5161000       4.989000 0.6632000       6.356000      0.7909000      -1.367000       1.032000
  1 1 1     -12    8   24 o    2.811000      0.7381000       2.402000 0.9467000       3.220000       1.133000     -0.8181000       1.476000
  1 1 1     -12    8   25 o    7.172000      0.3212000       7.391000 0.4122000       6.953000      0.4927000      0.4378000      0.6424000
  1 1 1     -12    8   26 o    3.411000      0.6893000       4.010000 1.044000       2.811000      0.9001000       1.200000       1.379000
  1 1 1     -12    8   27 o    6.544000      0.4926000       6.317000 0.6845000       6.772000      0.7085000     -0.4551000      0.9852000
  1 1 1     -12    8   28 o    4.162000      0.5669000       4.644000 0.6172000       3.679000      0.9512000      0.9643000       1.134000
  1 1 1     -12    8   29 o    2.906000      0.6192000       2.045000 0.8213000       3.767000      0.9268000      -1.722000       1.238000
  1 1 1     -12    8   30 o    6.453000      0.3603000       6.031000 0.5019000       6.876000      0.5171000     -0.8452000      0.7206000
  1 1 1     -12    8   31 o    2.979000      0.5720000       1.920000 0.8269000       4.038000      0.7907000      -2.118000       1.144000
  1 1 1     -12    8   32 o    3.388000      0.6175000       3.765000 0.8359000       3.011000      0.9091000      0.7537000       1.235000
  1 1 1     -12    8   33 o    2.845000      0.7116000       3.433000 1.103000       2.257000      0.8995000       1.176000       1.423000
  1 1 1     -12    9    1 o    6.041000      0.2010000       5.948000 0.2897000       6.134000      0.2787000     -0.1866000      0.4020000
  1 1 1     -12    9    2 o    11.88000      0.2107000       11.87000 0.2982000       11.89000      0.2979000     -0.1458000E-01  0.4215000
  1 1 1     -12    9    3 o    5.793000      0.2956000       5.648000 0.3931000       5.938000      0.4417000     -0.2908000      0.5912000
  1 1 1     -12    9    4 o    8.096000      0.2750000       8.320000 0.3700000       7.871000      0.4069000      0.4489000      0.5500000
  1 1 1     -12    9    5 o    2.094000      0.4437000       2.129000 0.6283000       2.060000      0.6267000      0.6866000E-01  0.8874000
  1 1 1     -12    9    6 f    7.537000      0.2182000       7.261000 0.3104000       7.814000      0.3068000     -0.5534000      0.4365000
  1 1 1     -12    9    7 o    4.253000      0.4833000       4.182000 0.7438000       4.324000      0.6173000     -0.1421000      0.9666000
  1 1 1     -12    9    8 o    3.634000      0.5485000       2.900000 0.9008000       4.368000      0.6262000      -1.468000       1.097000
  1 1 1     -12    9    9 o    5.444000      0.2731000       5.452000 0.3840000       5.437000      0.3883000      0.1485000E-01  0.5461000
  1 1 1     -12    9   10 o    3.884000      0.3777000       3.667000 0.5781000       4.101000      0.4861000     -0.4337000      0.7553000
  1 1 1     -12    9   11 f    4.433000      0.3326000       4.462000 0.4598000       4.405000      0.4806000      0.5754000E-01  0.6652000
  1 1 1     -12    9   12 f    3.255000      0.4550000       2.821000 0.7091000       3.690000      0.5703000     -0.8684000      0.9099000
  1 1 1     -12    9   13 o    7.750000      0.2459000       7.811000 0.3408000       7.688000      0.3546000      0.1232000      0.4918000
  1 1 1     -12    9   14 o    3.393000      0.4561000       3.696000 0.5412000       3.091000      0.7342000      0.6049000      0.9121000
  1 1 1     -12    9   15 o    4.129000      0.3883000       4.057000 0.5359000       4.202000      0.5621000     -0.1448000      0.7766000
  1 1 1     -12    9   16 o    4.381000      0.3870000       4.003000 0.5758000       4.759000      0.5172000     -0.7557000      0.7740000
  1 1 1     -12    9   17 o    11.16000      0.2885000       10.91000 0.4479000       11.41000      0.3637000     -0.4919000      0.5770000
  1 1 1     -12    9   18 o    8.716000      0.2490000       8.601000 0.3309000       8.831000      0.3722000     -0.2295000      0.4980000
  1 1 1     -12    9   19 o    7.705000      0.2638000       7.506000 0.3418000       7.903000      0.4018000     -0.3966000      0.5275000
  1 1 1     -12    9   20 o    8.672000      0.2752000       8.577000 0.3606000       8.768000      0.4157000     -0.1911000      0.5503000
  1 1 1     -12    9   21 o    5.361000      0.3498000       4.799000 0.4954000       5.923000      0.4940000      -1.124000      0.6996000
  1 1 1     -12    9   22 o    3.146000      0.6661000       3.880000 0.8664000       2.412000       1.012000       1.468000       1.332000
  1 1 1     -12    9   23 o    2.630000      0.6866000       2.885000 0.9205000       2.375000       1.019000      0.5100000       1.373000
  1 1 1     -12    9   24 o    2.917000      0.6265000       2.751000 0.8436000       3.082000      0.9264000     -0.3310000       1.253000
  1 1 1     -12    9   25 o    3.108000      0.6778000       3.934000 0.9442000       2.282000      0.9727000       1.652000       1.356000
  1 1 1     -12    9   26 o    5.277000      0.8384000       5.277000 0.8384000                  ?              ?              ?              ?
  1 1 1     -12    9   27 f    6.557000      0.3801000       6.888000 0.4598000       6.226000      0.6054000      0.6617000      0.7602000
  1 1 1     -12    9   28 o    2.319000      0.6554000       2.730000 1.001000       1.909000      0.8465000      0.8217000       1.311000
  1 1 1     -12    9   29 o    3.048000      0.6600000       2.886000 0.8815000       3.210000      0.9826000     -0.3248000       1.320000
  1 1 1     -12    9   30 o    5.576000      0.4265000       4.993000 0.6117000       6.160000      0.5944000      -1.167000      0.8529000
  1 1 1     -12    9   31 o    2.606000      0.6374000       2.480000 0.8614000       2.731000      0.9397000     -0.2506000       1.275000
  1 1 1     -12    9   32 o    1.994000      0.5995000       2.033000 0.8568000       1.955000      0.8387000      0.7751000E-01   1.199000
  1 1 1     -12   10    1 o    5.878000      0.2730000       5.644000 0.3594000       6.113000      0.4110000     -0.4695000      0.5460000
  1 1 1     -12   10    2 o    4.527000      0.3296000       4.179000 0.4611000       4.874000      0.4711000     -0.6948000      0.6592000
  1 1 1     -12   10    3 o    5.902000      0.2166000       5.947000 0.3112000       5.856000      0.3012000      0.9167000E-01  0.4331000
  1 1 1     -12   10    4 o    10.03000      0.2094000       10.12000 0.2967000       9.942000      0.2955000      0.1739000      0.4188000
  1 1 1     -12   10    5 o    2.140000      0.5425000       1.663000 0.7537000       2.617000      0.7806000     -0.9539000       1.085000
  1 1 1     -12   10    6 o    2.211000      0.5544000       1.813000 0.8006000       2.609000      0.7671000     -0.7961000       1.109000
  1 1 1     -12   10    7 o    7.898000      0.2221000       8.106000 0.3105000       7.690000      0.3177000      0.4165000      0.4443000
  1 1 1     -12   10    8 o    11.69000      0.2273000       11.86000 0.3247000       11.51000      0.3183000      0.3540000      0.4547000
  1 1 1     -12   10    9 o    10.38000      0.2755000       10.15000 0.3203000       10.62000      0.4482000     -0.4646000      0.5509000
  1 1 1     -12   10   10 o    2.410000      0.4929000       2.234000 0.6956000       2.585000      0.6985000     -0.3511000      0.9858000
  1 1 1     -12   10   11 f    7.852000      0.2443000       7.985000 0.3404000       7.720000      0.3506000      0.2643000      0.4886000
  1 1 1     -12   10   12 o    5.507000      0.2901000       5.593000 0.3925000       5.421000      0.4273000      0.1715000      0.5802000
  1 1 1     -12   10   13 o    1.785000      0.5053000       1.774000 0.7116000       1.796000      0.7177000     -0.2187000E-01   1.011000
  1 1 1     -12   10   14 o    4.143000      0.3740000       4.075000 0.5289000       4.212000      0.5288000     -0.1371000      0.7480000
  1 1 1     -12   10   15 o    6.598000      0.3026000       6.546000 0.4555000       6.649000      0.3986000     -0.1031000      0.6053000
  1 1 1     -12   10   16 o    2.900000      0.5354000       2.685000 0.7487000       3.115000      0.7657000     -0.4297000       1.071000
  1 1 1     -12   10   17 o    8.838000      0.2681000       9.063000 0.3778000       8.613000      0.3806000      0.4494000      0.5363000
  1 1 1     -12   10   18 o    2.801000      0.5544000       2.606000 0.7731000       2.996000      0.7948000     -0.3903000       1.109000
  1 1 1     -12   10   19 o    4.379000      0.4691000       4.801000 0.6135000       3.957000      0.7098000      0.8448000      0.9382000
  1 1 1     -12   10   20 o    8.559000      0.2739000       9.141000 0.3607000       7.977000      0.4123000       1.164000      0.5478000
  1 1 1     -12   10   21 o    4.794000      0.5976000       5.560000 0.6048000       4.027000       1.031000       1.533000       1.195000
  1 1 1     -12   10   22 o    3.977000      0.4982000       4.038000 0.6305000       3.917000      0.7715000      0.1211000      0.9964000
  1 1 1     -12   10   23 o    4.977000      0.4122000       5.497000 0.4531000       4.456000      0.6886000       1.041000      0.8243000
  1 1 1     -12   10   24 o    4.033000      0.6889000       4.094000 0.9401000       3.971000       1.007000      0.1235000       1.378000
  1 1 1     -12   10   25 o    4.503000      0.5408000       3.917000 0.6369000       5.090000      0.8741000      -1.172000       1.082000
  1 1 1     -12   10   26 o    2.167000      0.8437000       2.167000 0.8437000                  ?              ?              ?              ?
  1 1 1     -12   10   27 o    2.781000      0.6167000       1.922000 0.8110000       3.639000      0.9292000      -1.716000       1.233000
  1 1 1     -12   10   28 o    2.668000      0.9829000                  ?       ?   2.668000      0.9829000                  ?              ?
  1 1 1     -12   10   29 o    2.063000      0.6024000       1.595000 0.7340000       2.531000      0.9555000     -0.9356000       1.205000
  1 1 1     -12   10   30 o    5.334000      0.4697000       5.961000 0.5634000       4.707000      0.7518000       1.253000      0.9394000
  1 1 1     -12   10   31 o    3.164000      0.6330000       3.255000 0.8541000       3.072000      0.9345000      0.1830000       1.266000
  1 1 1     -12   11    1 o    12.20000      0.2108000       12.28000 0.2999000       12.11000      0.2964000      0.1745000      0.4216000
  1 1 1     -12   11    2 o    9.562000      0.1996000       9.784000 0.2864000       9.339000      0.2781000      0.4450000      0.3992000
  1 1 1     -12   11    3 o    1.453000      0.4655000       1.378000 0.6546000       1.528000      0.6622000     -0.1494000      0.9311000
  1 1 1     -12   11    4 o    2.862000      0.4946000       4.063000 0.7167000       1.661000      0.6820000       2.402000      0.9893000
  1 1 1     -12   11    5 o    1.909000      0.4847000       1.808000 0.6785000       2.010000      0.6923000     -0.2022000      0.9694000
  1 1 1     -12   11    6 o    5.019000      0.2727000       4.926000 0.3808000       5.112000      0.3903000     -0.1856000      0.5453000
  1 1 1     -12   11    7 o    9.316000      0.2218000       9.304000 0.3196000       9.328000      0.3076000     -0.2379000E-01  0.4436000
  1 1 1     -12   11    8 o    9.082000      0.2237000       9.445000 0.3186000       8.720000      0.3141000      0.7255000      0.4474000
  1 1 1     -12   11    9 o    9.645000      0.2259000       9.738000 0.3221000       9.552000      0.3168000      0.1857000      0.4518000
  1 1 1     -12   11   10 f    3.366000      0.4272000       3.851000 0.4892000       2.880000      0.7003000      0.9711000      0.8543000
  1 1 1     -12   11   11 o    11.70000      0.2377000       11.96000 0.3354000       11.44000      0.3370000      0.5171000      0.4754000
  1 1 1     -12   11   12 f    7.996000      0.2474000       7.809000 0.3515000       8.184000      0.3481000     -0.3754000      0.4947000
  1 1 1     -12   11   13 o    5.324000      0.3090000       5.582000 0.4139000       5.066000      0.4588000      0.5156000      0.6179000
  1 1 1     -12   11   14 o    7.480000      0.2587000       7.279000 0.3666000       7.682000      0.3650000     -0.4033000      0.5173000
  1 1 1     -12   11   15 o    10.93000      0.2516000       10.87000 0.3562000       10.98000      0.3555000     -0.1074000      0.5032000
  1 1 1     -12   11   16 o    8.314000      0.2738000       8.613000 0.3723000       8.015000      0.4014000      0.5973000      0.5475000
  1 1 1     -12   11   17 o    5.836000      0.3383000       5.467000 0.5041000       6.206000      0.4513000     -0.7388000      0.6766000
  1 1 1     -12   11   18 o    1.978000      0.5385000       2.437000 0.8244000       1.520000      0.6929000      0.9166000       1.077000
  1 1 1     -12   11   19 o    4.308000      0.4413000       4.003000 0.6935000       4.613000      0.5459000     -0.6102000      0.8826000
  1 1 1     -12   11   20 o    7.993000      0.3971000       7.859000 0.4910000       8.128000      0.6243000     -0.2691000      0.7942000
  1 1 1     -12   11   21 o    2.422000      0.6208000       2.261000 0.8477000       2.582000      0.9073000     -0.3212000       1.242000
  1 1 1     -12   11   22 o    4.539000      0.4471000       4.415000 0.5803000       4.662000      0.6804000     -0.2462000      0.8942000
  1 1 1     -12   11   23 o    4.306000      0.6711000       4.777000 0.8443000       3.836000       1.043000      0.9410000       1.342000
  1 1 1     -12   11   24 o    2.636000      0.6233000       2.771000 0.8119000       2.502000      0.9460000      0.2687000       1.247000
  1 1 1     -12   11   25 o    2.251000      0.6194000       1.899000 0.7974000       2.604000      0.9481000     -0.7051000       1.239000
  1 1 1     -12   11   26 o    2.813000      0.6430000       2.362000 0.8800000       3.265000      0.9377000     -0.9027000       1.286000
  1 1 1     -12   11   27 o    5.514000      0.4518000       5.762000 0.5243000       5.265000      0.7359000      0.4971000      0.9035000
  1 1 1     -12   11   28 o    1.949000      0.5985000       1.955000 0.8450000       1.944000      0.8477000      0.1149000E-01   1.197000
  1 1 1     -12   11   29 o    2.235000      0.6303000       1.944000 0.8181000       2.526000      0.9592000     -0.5827000       1.261000
  1 1 1     -12   11   30 o    2.839000      0.6162000       3.208000 0.8218000       2.470000      0.9184000      0.7378000       1.232000
  1 1 1     -12   11   31 o    1.887000      0.5740000       2.013000 0.8377000       1.760000      0.7850000      0.2527000       1.148000
  1 1 1     -12   12    1 o    6.056000      0.3460000       6.021000 0.5501000       6.090000      0.4199000     -0.6904000E-01  0.6920000
  1 1 1     -12   12    2 o    7.632000      0.2453000       7.702000 0.2978000       7.562000      0.3899000      0.1396000      0.4906000
  1 1 1     -12   12    3 o    3.402000      0.3537000       3.776000 0.4471000       3.028000      0.5481000      0.7482000      0.7073000
  1 1 1     -12   12    4 o    2.077000      0.4719000       2.305000 0.6696000       1.848000      0.6649000      0.4572000      0.9437000
  1 1 1     -12   12    5 o    7.453000      0.2210000       7.588000 0.3101000       7.318000      0.3150000      0.2704000      0.4420000
  1 1 1     -12   12    6 o    9.387000      0.2163000       9.697000 0.3085000       9.077000      0.3033000      0.6202000      0.4326000
  1 1 1     -12   12    7 o    10.57000      0.2249000       10.38000 0.3222000       10.76000      0.3139000     -0.3803000      0.4499000
  1 1 1     -12   12    8 o    13.26000      0.2403000       13.12000 0.3412000       13.41000      0.3384000     -0.2910000      0.4806000
  1 1 1     -12   12    9 o    11.09000      0.2313000       10.87000 0.3263000       11.31000      0.3278000     -0.4394000      0.4625000
  1 1 1     -12   12   10 o    6.486000      0.2634000       6.664000 0.3665000       6.308000      0.3783000      0.3563000      0.5267000
  1 1 1     -12   12   11 o    4.436000      0.3400000       4.030000 0.5006000       4.842000      0.4602000     -0.8121000      0.6800000
  1 1 1     -12   12   12 o    3.166000      0.4796000       2.674000 0.7551000       3.658000      0.5917000     -0.9840000      0.9593000
  1 1 1     -12   12   13 f    5.537000      0.4920000       5.193000 0.8838000       5.882000      0.4325000     -0.6891000      0.9839000
  1 1 1     -12   12   14 o    9.418000      0.2506000       9.398000 0.3528000       9.438000      0.3560000     -0.4011000E-01  0.5012000
  1 1 1     -12   12   15 o    1.727000      0.5113000       1.839000 0.7462000       1.616000      0.6992000      0.2226000       1.023000
  1 1 1     -12   12   16 o    2.124000      0.5640000       2.125000 0.7733000       2.124000      0.8213000      0.1160000E-02   1.128000
  1 1 1     -12   12   17 o    9.685000      0.2678000       9.736000 0.3774000       9.634000      0.3799000      0.1016000      0.5355000
  1 1 1     -12   12   18 o    3.559000      0.6491000       3.601000 0.7897000       3.516000       1.030000      0.8585000E-01   1.298000
  1 1 1     -12   12   19 o    2.178000      0.6344000       1.600000 0.7264000       2.757000       1.040000      -1.157000       1.269000
  1 1 1     -12   12   20 o    2.778000      0.6011000       2.628000 0.8244000       2.927000      0.8751000     -0.2988000       1.202000
  1 1 1     -12   12   21 o    5.861000      0.6949000       5.965000 1.117000       5.757000      0.8277000      0.2081000       1.390000
  1 1 1     -12   12   22 o    6.903000      0.6346000       6.275000 1.095000       7.530000      0.6421000      -1.256000       1.269000
  1 1 1     -12   12   23 o    7.762000      0.3622000       7.876000 0.5344000       7.647000      0.4890000      0.2292000      0.7244000
  1 1 1     -12   12   24 o    2.477000      0.6369000       2.111000 0.8185000       2.844000      0.9761000     -0.7328000       1.274000
  1 1 1     -12   12   25 o    1.946000      0.5911000       1.798000 0.7708000       2.094000      0.8965000     -0.2957000       1.182000
  1 1 1     -12   12   26 o    5.318000      0.4886000       6.092000 0.4764000       4.545000      0.8533000       1.547000      0.9772000
  1 1 1     -12   12   27 o    4.021000      0.5543000       4.072000 0.6942000       3.969000      0.8643000      0.1038000       1.109000
  1 1 1     -12   12   28 o    2.371000      0.6328000       2.206000 0.8454000       2.536000      0.9419000     -0.3307000       1.266000
  1 1 1     -12   12   29 o    2.191000      0.6087000       2.546000 0.8963000       1.836000      0.8239000      0.7102000       1.217000
  1 1 1     -12   12   30 o    2.355000      0.6186000       2.056000 0.8336000       2.654000      0.9143000     -0.5986000       1.237000
  1 1 1     -12   13    1 o    3.209000      0.3531000       3.550000 0.4438000       2.868000      0.5494000      0.6816000      0.7063000
  1 1 1     -12   13    2 o    4.767000      0.2583000       4.979000 0.3655000       4.554000      0.3651000      0.4248000      0.5166000
  1 1 1     -12   13    3 o    1.670000      0.4532000       1.752000 0.6423000       1.588000      0.6397000      0.1645000      0.9065000
  1 1 1     -12   13    4 f    6.785000      0.2244000       6.657000 0.3201000       6.914000      0.3147000     -0.2571000      0.4489000
  1 1 1     -12   13    5 o    7.025000      0.2235000       6.842000 0.3242000       7.208000      0.3076000     -0.3660000      0.4469000
  1 1 1     -12   13    6 o    4.644000      0.2891000       4.898000 0.3972000       4.389000      0.4200000      0.5093000      0.5781000
  1 1 1     -12   13    7 o    4.814000      0.2934000       4.524000 0.4396000       5.104000      0.3886000     -0.5803000      0.5868000
  1 1 1     -12   13    8 o    6.107000      0.2505000       6.074000 0.3540000       6.141000      0.3545000     -0.6603000E-01  0.5010000
  1 1 1     -12   13    9 o    3.311000      0.4182000       3.276000 0.5888000       3.345000      0.5939000     -0.6914000E-01  0.8363000
  1 1 1     -12   13   10 o    6.548000      0.2591000       6.609000 0.3610000       6.487000      0.3718000      0.1213000      0.5183000
  1 1 1     -12   13   11 o    3.473000      0.4425000       3.953000 0.5433000       2.994000      0.6986000      0.9594000      0.8850000
  1 1 1     -12   13   12 o    1.785000      0.4996000       2.109000 0.7482000       1.461000      0.6622000      0.6484000      0.9992000
  1 1 1     -12   13   13 o    8.190000      0.2587000       7.940000 0.3729000       8.440000      0.3588000     -0.5004000      0.5175000
  1 1 1     -12   13   14 o    6.176000      0.2980000       6.214000 0.4221000       6.139000      0.4208000      0.7502000E-01  0.5961000
  1 1 1     -12   13   15 o    10.50000      0.2570000       10.41000 0.3703000       10.59000      0.3565000     -0.1741000      0.5141000
  1 1 1     -12   13   16 o    4.721000      0.4812000       4.787000 0.5056000       4.655000      0.8188000      0.1316000      0.9623000
  1 1 1     -12   13   17 o    2.408000      0.6559000       2.280000 0.8595000       2.537000      0.9910000     -0.2573000       1.312000
  1 1 1     -12   13   18 o    2.889000      0.5891000       2.875000 0.8281000       2.903000      0.8379000     -0.2716000E-01   1.178000
  1 1 1     -12   13   19 o    2.182000      0.5916000       2.400000 0.8569000       1.964000      0.8159000      0.4360000       1.183000
  1 1 1     -12   13   20 o    8.799000      0.4959000       8.896000 0.7738000       8.703000      0.6205000      0.1924000      0.9919000
  1 1 1     -12   13   21 o    8.474000      0.3091000       8.574000 0.4431000       8.375000      0.4311000      0.1989000      0.6182000
  1 1 1     -12   13   22 o    2.269000      0.6171000       1.842000 0.8016000       2.695000      0.9386000     -0.8531000       1.234000
  1 1 1     -12   13   23 o    5.504000      0.4420000       5.412000 0.6091000       5.597000      0.6408000     -0.1851000      0.8841000
  1 1 1     -12   13   24 o    3.643000      0.6347000       4.016000 0.8088000       3.271000      0.9785000      0.7450000       1.269000
  1 1 1     -12   13   25 o    5.599000      0.4118000       5.606000 0.5021000       5.592000      0.6527000      0.1446000E-01  0.8235000
  1 1 1     -12   13   26 o    5.283000      0.4406000       5.398000 0.5401000       5.169000      0.6964000      0.2290000      0.8813000
  1 1 1     -12   13   27 o    2.222000      0.6054000       2.621000 0.8852000       1.824000      0.8261000      0.7969000       1.211000
  1 1 1     -12   13   28 o    1.944000      0.5644000       2.444000 0.8824000       1.445000      0.7040000      0.9994000       1.129000
  1 1 1     -12   13   29 f    2.248000      0.6160000       1.813000 0.8006000       2.683000      0.9365000     -0.8693000       1.232000
  1 1 1     -12   14    1 o    9.186000      0.2091000       9.210000 0.3076000       9.161000      0.2835000      0.4865000E-01  0.4183000
  1 1 1     -12   14    2 o    11.07000      0.2112000       11.06000 0.3029000       11.09000      0.2944000     -0.3701000E-01  0.4223000
  1 1 1     -12   14    3 o    5.999000      0.2348000       5.707000 0.3505000       6.291000      0.3123000     -0.5840000      0.4695000
  1 1 1     -12   14    4 o    7.617000      0.2199000       7.626000 0.3133000       7.608000      0.3085000      0.1776000E-01  0.4397000
  1 1 1     -12   14    5 o    7.258000      0.2288000       6.987000 0.3311000       7.528000      0.3158000     -0.5407000      0.4576000
  1 1 1     -12   14    6 o    3.365000      0.4004000       3.769000 0.4846000       2.960000      0.6374000      0.8083000      0.8007000
  1 1 1     -12   14    7 o    4.501000      0.3059000       4.520000 0.4152000       4.483000      0.4494000      0.3713000E-01  0.6118000
  1 1 1     -12   14    8 o    7.594000      0.2376000       7.698000 0.3354000       7.491000      0.3367000      0.2065000      0.4753000
  1 1 1     -12   14    9 o    6.268000      0.2720000       6.149000 0.3857000       6.388000      0.3835000     -0.2384000      0.5439000
  1 1 1     -12   14   10 f    9.912000      0.2357000       10.18000 0.3363000       9.644000      0.3304000      0.5359000      0.4714000
  1 1 1     -12   14   11 o    14.08000      0.2554000       13.85000 0.3624000       14.32000      0.3600000     -0.4703000      0.5108000
  1 1 1     -12   14   12 o    13.42000      0.2552000       13.66000 0.3680000       13.17000      0.3536000      0.4884000      0.5103000
  1 1 1     -12   14   13 o    5.769000      0.3107000       5.962000 0.4307000       5.577000      0.4480000      0.3845000      0.6214000
  1 1 1     -12   14   14 o    4.077000      0.4376000       4.027000 0.6100000       4.127000      0.6275000     -0.1004000      0.8752000
  1 1 1     -12   14   15 o    14.90000      0.3653000       15.10000 0.5059000       14.69000      0.5272000      0.4170000      0.7306000
  1 1 1     -12   14   16 o    10.15000      0.2697000       10.05000 0.3854000       10.25000      0.3774000     -0.1994000      0.5394000
  1 1 1     -12   14   17 o    9.188000      0.2730000       9.028000 0.3920000       9.348000      0.3801000     -0.3204000      0.5460000
  1 1 1     -12   14   18 o    3.574000      0.8234000       3.873000 1.261000       3.274000       1.059000      0.5985000       1.647000
  1 1 1     -12   14   19 o    2.050000      0.6714000       2.246000 1.042000       1.854000      0.8467000      0.3915000       1.343000
  1 1 1     -12   14   20 o    6.476000      0.3492000       6.576000 0.4836000       6.376000      0.5039000      0.2003000      0.6984000
  1 1 1     -12   14   21 o    4.860000      0.4897000       4.342000 0.7352000       5.378000      0.6471000      -1.036000      0.9794000
  1 1 1     -12   14   22 f    2.811000      0.6546000       2.918000 0.8804000       2.705000      0.9690000      0.2126000       1.309000
  1 1 1     -12   14   23 o    4.000000      0.5818000       3.163000 0.9038000       4.836000      0.7329000      -1.673000       1.164000
  1 1 1     -12   14   24 o    3.287000      0.6550000       3.269000 0.9353000       3.304000      0.9173000     -0.3487000E-01   1.310000
  1 1 1     -12   14   25 o    5.970000      0.4188000       5.760000 0.5789000       6.181000      0.6053000     -0.4210000      0.8375000
  1 1 1     -12   14   26 o    3.570000      0.5924000       4.413000 0.7033000       2.726000      0.9535000       1.688000       1.185000
  1 1 1     -12   14   27 o    4.989000      0.5928000       4.989000 0.5928000                  ?              ?              ?              ?
  1 1 1     -12   14   28 o    4.952000      0.4680000       5.143000 0.5894000       4.761000      0.7271000      0.3829000      0.9360000
  1 1 1     -12   15    1 o    7.057000      0.2238000       7.430000 0.3216000       6.683000      0.3113000      0.7466000      0.4476000
  1 1 1     -12   15    2 o    8.189000      0.2210000       8.454000 0.3214000       7.924000      0.3033000      0.5303000      0.4419000
  1 1 1     -12   15    3 o    9.945000      0.2177000       9.987000 0.3147000       9.903000      0.3009000      0.8397000E-01  0.4354000
  1 1 1     -12   15    4 o    8.235000      0.2203000       8.060000 0.3169000       8.410000      0.3060000     -0.3506000      0.4405000
  1 1 1     -12   15    5 o    7.245000      0.2342000       7.416000 0.3354000       7.075000      0.3270000      0.3411000      0.4684000
  1 1 1     -12   15    6 o    3.448000      0.3963000       3.393000 0.5733000       3.503000      0.5474000     -0.1100000      0.7927000
  1 1 1     -12   15    7 o    2.501000      0.4991000       2.176000 0.7351000       2.827000      0.6752000     -0.6512000      0.9981000
  1 1 1     -12   15    8 o    8.921000      0.2327000       8.417000 0.3359000       9.424000      0.3223000      -1.007000      0.4654000
  1 1 1     -12   15    9 o    9.333000      0.2404000       9.182000 0.3468000       9.485000      0.3329000     -0.3029000      0.4807000
  1 1 1     -12   15   10 o    11.18000      0.2407000       11.65000 0.3452000       10.70000      0.3357000      0.9451000      0.4815000
  1 1 1     -12   15   11 o    8.806000      0.2498000       8.991000 0.3511000       8.620000      0.3555000      0.3719000      0.4996000
  1 1 1     -12   15   12 o    4.261000      0.3860000       4.450000 0.5034000       4.071000      0.5852000      0.3794000      0.7719000
  1 1 1     -12   15   13 o    5.874000      0.4063000       5.636000 0.5141000       6.112000      0.6293000     -0.4757000      0.8126000
  1 1 1     -12   15   14 o    5.917000      0.3361000       5.978000 0.4978000       5.857000      0.4518000      0.1204000      0.6722000
  1 1 1     -12   15   15 o    15.05000      0.2771000       14.89000 0.3953000       15.20000      0.3886000     -0.3119000      0.5543000
  1 1 1     -12   15   16 o    12.63000      0.3704000       13.37000 0.6464000       11.90000      0.3618000       1.468000      0.7407000
  1 1 1     -12   15   17 o    5.557000      0.6852000       5.101000 1.148000       6.013000      0.7482000     -0.9115000       1.370000
  1 1 1     -12   15   18 o    3.342000      0.5520000       2.624000 0.8358000       4.059000      0.7214000      -1.435000       1.104000
  1 1 1     -12   15   19 o    3.232000      0.5846000       2.871000 0.8419000       3.594000      0.8113000     -0.7228000       1.169000
  1 1 1     -12   15   20 o    1.702000      0.5461000       1.663000 0.7550000       1.740000      0.7891000     -0.7676000E-01   1.092000
  1 1 1     -12   15   21 o    4.634000      0.4864000       4.384000 0.6894000       4.883000      0.6862000     -0.4988000      0.9728000
  1 1 1     -12   15   22 o    3.081000      0.6493000       3.220000 0.8598000       2.942000      0.9733000      0.2785000       1.299000
  1 1 1     -12   15   23 o    1.940000      0.5932000       1.915000 0.8341000       1.964000      0.8437000     -0.4906000E-01   1.186000
  1 1 1     -12   15   24 o    2.548000      0.6480000       2.102000 0.8743000       2.993000      0.9568000     -0.8907000       1.296000
  1 1 1     -12   15   25 o    3.154000      0.6322000       2.682000 0.9077000       3.626000      0.8802000     -0.9445000       1.264000
  1 1 1     -12   15   26 o    3.193000      0.6654000       3.172000 0.8744000       3.214000       1.003000     -0.4225000E-01   1.331000
  1 1 1     -12   15   27 o    1.800000      0.8122000       1.800000 0.8122000                  ?              ?              ?              ?
  1 1 1     -12   15   28 o    1.859000      0.6017000       1.818000 0.8517000       1.901000      0.8503000     -0.8282000E-01   1.203000
  1 1 1     -12   16    1 o    5.633000      0.2661000       5.718000 0.3957000       5.548000      0.3558000      0.1703000      0.5321000
  1 1 1     -12   16    2 o    3.563000      0.4035000       3.682000 0.6081000       3.445000      0.5306000      0.2370000      0.8071000
  1 1 1     -12   16    3 o    2.791000      0.4743000       2.240000 0.7615000       3.342000      0.5657000      -1.102000      0.9486000
  1 1 1     -12   16    4 o    3.460000      0.4023000       3.623000 0.5601000       3.298000      0.5777000      0.3259000      0.8047000
  1 1 1     -12   16    5 f    11.36000      0.2275000       11.49000 0.3312000       11.22000      0.3121000      0.2726000      0.4551000
  1 1 1     -12   16    6 o    8.245000      0.2308000       8.676000 0.3307000       7.813000      0.3221000      0.8625000      0.4616000
  1 1 1     -12   16    7 o    5.177000      0.3051000       5.766000 0.4020000       4.589000      0.4592000       1.177000      0.6102000
  1 1 1     -12   16    8 o    7.194000      0.2586000       7.088000 0.3720000       7.300000      0.3593000     -0.2123000      0.5172000
  1 1 1     -12   16    9 o    8.657000      0.2466000       8.754000 0.3560000       8.560000      0.3414000      0.1941000      0.4932000
  1 1 1     -12   16   10 o    7.445000      0.2577000       7.818000 0.3594000       7.071000      0.3694000      0.7461000      0.5154000
  1 1 1     -12   16   11 o    9.708000      0.3186000       9.279000 0.4216000       10.14000      0.4777000     -0.8591000      0.6372000
  1 1 1     -12   16   12 o    6.782000      0.3078000       6.969000 0.4478000       6.596000      0.4226000      0.3736000      0.6157000
  1 1 1     -12   16   13 o    1.843000      0.5299000       1.571000 0.6982000       2.116000      0.7974000     -0.5458000       1.060000
  1 1 1     -12   16   14 o    2.039000      0.4807000       1.229000 0.5679000       2.848000      0.7758000      -1.619000      0.9614000
  1 1 1     -12   16   15 o    2.717000      0.7519000       2.736000 1.137000       2.697000      0.9844000      0.3862000E-01   1.504000
  1 1 1     -12   16   16 o    3.415000      0.5478000       2.834000 0.8385000       3.995000      0.7052000      -1.161000       1.096000
  1 1 1     -12   16   17 o    3.763000      0.5174000       3.694000 0.7267000       3.832000      0.7368000     -0.1382000       1.035000
  1 1 1     -12   16   18 o    6.065000      0.3630000       6.280000 0.4911000       5.850000      0.5346000      0.4299000      0.7259000
  1 1 1     -12   16   19 o    1.863000      0.5695000       1.776000 0.7725000       1.950000      0.8369000     -0.1745000       1.139000
  1 1 1     -12   16   20 o    5.701000      0.3998000       5.933000 0.5397000       5.470000      0.5901000      0.4624000      0.7997000
  1 1 1     -12   16   21 o    2.354000      0.6343000       2.384000 0.8830000       2.324000      0.9108000      0.6030000E-01   1.269000
  1 1 1     -12   16   22 o    3.054000      0.6264000       2.616000 0.9011000       3.491000      0.8704000     -0.8749000       1.253000
  1 1 1     -12   16   23 o    2.041000      0.6034000       1.957000 0.8459000       2.125000      0.8606000     -0.1683000       1.207000
  1 1 1     -12   16   24 o    3.156000      0.6620000       2.846000 0.9410000       3.466000      0.9313000     -0.6204000       1.324000
  1 1 1     -12   16   25 o    1.694000      0.5420000       1.899000 0.8158000       1.489000      0.7137000      0.4100000       1.084000
  1 1 1     -12   16   26 o    2.750000      0.6769000       2.604000 0.9142000       2.897000      0.9985000     -0.2928000       1.354000
  1 1 1     -12   16   27 o    2.278000      0.6013000       2.968000 0.9407000       1.588000      0.7492000       1.380000       1.203000
  1 1 1     -12   17    1 o    4.277000      0.3870000       4.637000 0.5712000       3.916000      0.5224000      0.7206000      0.7740000
  1 1 1     -12   17    2 o    4.112000      0.3738000       4.135000 0.5520000       4.088000      0.5042000      0.4788000E-01  0.7476000
  1 1 1     -12   17    3 o    3.698000      0.4291000       3.896000 0.6189000       3.500000      0.5945000      0.3957000      0.8581000
  1 1 1     -12   17    4 o    2.578000      0.5358000       2.605000 0.7675000       2.550000      0.7479000      0.5521000E-01   1.072000
  1 1 1     -12   17    5 o    8.934000      0.2397000       9.056000 0.3496000       8.812000      0.3279000      0.2443000      0.4794000
  1 1 1     -12   17    6 o    10.68000      0.2358000       10.30000 0.3430000       11.06000      0.3236000     -0.7565000      0.4716000
  1 1 1     -12   17    7 o    2.965000      0.4562000       1.942000 0.7379000       3.988000      0.5367000      -2.046000      0.9124000
  1 1 1     -12   17    8 o    5.292000      0.3575000       4.831000 0.4336000       5.754000      0.5685000     -0.9233000      0.7150000
  1 1 1     -12   17    9 o    2.010000      0.5735000       2.176000 0.8274000       1.844000      0.7943000      0.3314000       1.147000
  1 1 1     -12   17   10 o    5.302000      0.3339000       5.462000 0.4665000       5.141000      0.4777000      0.3209000      0.6677000
  1 1 1     -12   17   11 o    3.913000      0.4414000       4.268000 0.5615000       3.559000      0.6812000      0.7100000      0.8828000
  1 1 1     -12   17   12 o    3.677000      0.6801000       4.191000 1.176000       3.163000      0.6831000       1.028000       1.360000
  1 1 1     -12   17   13 o    4.586000      0.6972000       5.124000 1.085000       4.048000      0.8761000       1.077000       1.394000
  1 1 1     -12   17   14 o    5.861000      0.3291000       5.624000 0.4774000       6.098000      0.4531000     -0.4746000      0.6582000
  1 1 1     -12   17   15 o    5.862000      0.3476000       6.010000 0.4862000       5.714000      0.4968000      0.2953000      0.6952000
  1 1 1     -12   17   16 o    4.808000      0.4335000       4.958000 0.5790000       4.658000      0.6454000      0.2998000      0.8671000
  1 1 1     -12   17   17 o    2.627000      0.6016000       2.235000 0.8454000       3.018000      0.8561000     -0.7831000       1.203000
  1 1 1     -12   17   18 o    2.235000      0.6149000       1.953000 0.8259000       2.518000      0.9113000     -0.5650000       1.230000
  1 1 1     -12   17   19 o    4.457000      0.5126000       4.355000 0.7050000       4.559000      0.7442000     -0.2037000       1.025000
  1 1 1     -12   17   20 o    7.122000      0.3470000       6.821000 0.5018000       7.423000      0.4794000     -0.6017000      0.6940000
  1 1 1     -12   17   21 o    3.900000      0.5611000       3.123000 0.8794000       4.677000      0.6971000      -1.554000       1.122000
  1 1 1     -12   17   22 o    1.886000      0.5708000       2.297000 0.8947000       1.476000      0.7089000      0.8208000       1.142000
  1 1 1     -12   17   23 o    4.230000      0.5692000       4.495000 0.7485000       3.964000      0.8576000      0.5314000       1.138000
  1 1 1     -12   17   24 o    3.486000      0.6531000       3.610000 0.9179000       3.363000      0.9293000      0.2468000       1.306000
  1 1 1     -12   17   25 o    3.476000      0.6484000       3.621000 0.8825000       3.332000      0.9502000      0.2896000       1.297000
  1 1 1     -12   17   26 o    2.558000      0.6585000       2.859000 0.9412000       2.258000      0.9212000      0.6008000       1.317000
  1 1 1     -12   18    1 o    3.527000      0.5312000       4.677000 0.7331000       2.377000      0.7689000       2.300000       1.062000
  1 1 1     -12   18    2 o    5.270000      0.3624000       5.030000 0.5817000       5.510000      0.4322000     -0.4802000      0.7247000
  1 1 1     -12   18    3 o    10.35000      0.2397000       10.85000 0.3575000       9.842000      0.3194000       1.010000      0.4794000
  1 1 1     -12   18    4 o    7.352000      0.2640000       7.420000 0.4040000       7.283000      0.3398000      0.1371000      0.5279000
  1 1 1     -12   18    5 o    3.605000      0.4612000       4.011000 0.6473000       3.200000      0.6571000      0.8107000      0.9223000
  1 1 1     -12   18    6 o    5.183000      0.4472000       5.663000 0.5797000       4.703000      0.6811000      0.9594000      0.8944000
  1 1 1     -12   18    7 o    3.058000      0.6253000       2.911000 0.8787000       3.205000      0.8899000     -0.2940000       1.251000
  1 1 1     -12   18    8 o    2.612000      0.5395000       2.179000 0.7963000       3.045000      0.7279000     -0.8660000       1.079000
  1 1 1     -12   18    9 o    4.845000      0.3599000       4.973000 0.5062000       4.716000      0.5116000      0.2577000      0.7197000
  1 1 1     -12   18   10 o    4.787000      0.6593000       4.525000 1.112000       5.050000      0.7083000     -0.5253000       1.319000
  1 1 1     -12   18   11 o    5.190000      0.6313000       5.779000 0.9871000       4.601000      0.7872000       1.178000       1.263000
  1 1 1     -12   18   12 o    4.200000      0.4745000       4.374000 0.6402000       4.026000      0.7005000      0.3476000      0.9489000
  1 1 1     -12   18   13 o    4.830000      0.4119000       4.772000 0.5757000       4.888000      0.5892000     -0.1163000      0.8238000
  1 1 1     -12   18   14 o    7.398000      0.3036000       7.474000 0.4221000       7.323000      0.4364000      0.1511000      0.6071000
  1 1 1     -12   18   15 o    6.387000      0.3392000       5.876000 0.5018000       6.897000      0.4566000      -1.021000      0.6784000
  1 1 1     -12   18   16 o    6.946000      0.3431000       7.435000 0.4522000       6.456000      0.5160000      0.9796000      0.6861000
  1 1 1     -12   18   17 o    2.218000      0.6132000       2.269000 0.8740000       2.167000      0.8603000      0.1016000       1.226000
  1 1 1     -12   18   18 o    2.867000      0.6407000       2.862000 0.9033000       2.872000      0.9090000     -0.1014000E-01   1.281000
  1 1 1     -12   18   19 o    4.978000      0.4841000       5.325000 0.6277000       4.631000      0.7372000      0.6942000      0.9683000
  1 1 1     -12   18   20 o    2.409000      0.6489000       2.470000 0.9317000       2.347000      0.9034000      0.1224000       1.298000
  1 1 1     -12   18   21 o    2.200000      0.6261000       2.580000 0.9458000       1.819000      0.8208000      0.7605000       1.252000
  1 1 1     -12   18   22 o    1.926000      0.5913000       1.747000 0.7930000       2.105000      0.8773000     -0.3583000       1.183000
  1 1 1     -12   18   23 o    3.736000      0.6287000       3.191000 0.9319000       4.281000      0.8441000      -1.090000       1.257000
  1 1 1     -12   18   24 o    2.678000      0.6562000       2.294000 0.9072000       3.062000      0.9483000     -0.7687000       1.312000
  1 1 1     -12   19    1 f    3.205000      0.7478000                  ?       ?   3.205000      0.7478000                  ?              ?
  1 1 1     -12   19    2 o    2.068000      0.5643000       1.781000 0.7810000       2.354000      0.8147000     -0.5736000       1.129000
  1 1 1     -12   19    3 o    3.246000      0.6955000       3.124000 0.9885000       3.368000      0.9786000     -0.2445000       1.391000
  1 1 1     -12   19    4 o    7.740000      0.3542000       7.851000 0.4863000       7.629000      0.5150000      0.2221000      0.7083000
  1 1 1     -12   19    5 f    4.114000      0.4319000       3.944000 0.6719000       4.284000      0.5427000     -0.3399000      0.8637000
  1 1 1     -12   19    6 o    9.498000      0.2532000       9.640000 0.3753000       9.355000      0.3400000      0.2855000      0.5064000
  1 1 1     -12   19    7 o    6.408000      0.2907000       6.547000 0.4042000       6.270000      0.4178000      0.2768000      0.5813000
  1 1 1     -12   19    8 o    4.355000      0.6869000       4.770000 1.082000       3.940000      0.8469000      0.8300000       1.374000
  1 1 1     -12   19    9 o    8.639000      0.4432000       8.706000 0.6967000       8.571000      0.5481000      0.1346000      0.8865000
  1 1 1     -12   19   10 o    4.773000      0.3962000       4.508000 0.5948000       5.039000      0.5237000     -0.5313000      0.7924000
  1 1 1     -12   19   11 o    6.097000      0.3356000       6.057000 0.4880000       6.137000      0.4608000     -0.8016000E-01  0.6712000
  1 1 1     -12   19   12 o    4.024000      0.4739000       3.588000 0.7241000       4.461000      0.6117000     -0.8735000      0.9479000
  1 1 1     -12   19   13 o    4.561000      0.4434000       4.900000 0.5587000       4.222000      0.6886000      0.6785000      0.8867000
  1 1 1     -12   19   14 o    5.157000      0.4176000       4.862000 0.6324000       5.452000      0.5455000     -0.5907000      0.8352000
  1 1 1     -12   19   15 o    6.033000      0.3829000       6.710000 0.4987000       5.356000      0.5812000       1.353000      0.7658000
  1 1 1     -12   19   16 o    7.247000      0.3329000       7.225000 0.4603000       7.269000      0.4809000     -0.4458000E-01  0.6657000
  1 1 1     -12   19   17 o    1.926000      0.5896000       2.053000 0.8725000       1.799000      0.7934000      0.2546000       1.179000
  1 1 1     -12   19   18 o    2.255000      0.6326000       2.449000 0.9325000       2.061000      0.8551000      0.3879000       1.265000
  1 1 1     -12   19   19 o    2.084000      0.6219000       2.227000 0.9098000       1.942000      0.8481000      0.2852000       1.244000
  1 1 1     -12   19   20 o    2.837000      0.6482000       2.375000 0.9394000       3.300000      0.8934000     -0.9252000       1.296000
  1 1 1     -12   19   21 o    2.640000      0.6720000       2.904000 0.9700000       2.375000      0.9303000      0.5288000       1.344000
  1 1 1     -12   19   22 o    4.200000      0.5873000       4.871000 0.7486000       3.529000      0.9051000       1.341000       1.175000
  1 1 1     -12   19   23 o    2.306000      0.6363000       2.784000 0.9702000       1.828000      0.8235000      0.9554000       1.273000
  1 1 1     -12   20    1 o    2.039000      0.6608000       1.948000 0.9065000       2.129000      0.9617000     -0.1818000       1.322000
  1 1 1     -12   20    2 o    2.877000      0.6215000       2.981000 0.9394000       2.772000      0.8139000      0.2085000       1.243000
  1 1 1     -12   20    3 o    1.557000      0.5081000       1.676000 0.7687000       1.439000      0.6647000      0.2368000       1.016000
  1 1 1     -12   20    4 o    6.119000      0.3377000       5.791000 0.5290000       6.448000      0.4201000     -0.6562000      0.6755000
  1 1 1     -12   20    5 o    8.662000      0.4165000       8.963000 0.6692000       8.360000      0.4961000      0.6037000      0.8330000
  1 1 1     -12   20    6 o    3.887000      0.7233000       4.982000 1.077000       2.793000      0.9655000       2.188000       1.447000
  1 1 1     -12   20    7 o    1.600000      0.5150000       1.845000 0.8031000       1.356000      0.6448000      0.4890000       1.030000
  1 1 1     -12   20    8 o    5.073000      0.3837000       5.283000 0.5565000       4.862000      0.5285000      0.4206000      0.7675000
  1 1 1     -12   20    9 o    2.124000      0.5762000       1.684000 0.7540000       2.563000      0.8714000     -0.8788000       1.152000
  1 1 1     -12   20   10 f    5.857000      0.3669000       5.353000 0.5744000       6.362000      0.4567000      -1.008000      0.7339000
  1 1 1     -12   20   11 o    5.271000      0.3704000       5.264000 0.5112000       5.277000      0.5362000     -0.1269000E-01  0.7408000
  1 1 1     -12   20   12 o    3.811000      0.5471000       2.945000 0.9021000       4.678000      0.6193000      -1.733000       1.094000
  1 1 1     -12   20   13 o    9.664000      0.2845000       9.825000 0.4097000       9.504000      0.3948000      0.3210000      0.5690000
  1 1 1     -12   20   14 o    5.685000      0.3981000       5.240000 0.5965000       6.130000      0.5275000     -0.8900000      0.7963000
  1 1 1     -12   20   15 o    7.828000      0.3299000       7.912000 0.4792000       7.744000      0.4534000      0.1679000      0.6598000
  1 1 1     -12   20   16 o    6.040000      0.3978000       5.932000 0.5752000       6.148000      0.5498000     -0.2163000      0.7957000
  1 1 1     -12   20   17 o    2.326000      0.6480000       2.407000 0.9223000       2.245000      0.9104000      0.1622000       1.296000
  1 1 1     -12   20   18 o    3.078000      0.6594000       3.459000 0.9389000       2.697000      0.9260000      0.7621000       1.319000
  1 1 1     -12   20   19 o    1.815000      0.5659000       2.196000 0.8932000       1.435000      0.6950000      0.7615000       1.132000
  1 1 1     -12   20   20 o    3.413000      0.6645000       3.364000 0.9417000       3.463000      0.9379000     -0.9934000E-01   1.329000
  1 1 1     -12   20   21 o    1.871000      0.5889000       1.664000 0.7758000       2.077000      0.8862000     -0.4128000       1.178000
  1 1 1     -12   20   22 o    4.447000      0.5764000       4.631000 0.7334000       4.263000      0.8894000      0.3673000       1.153000
  1 1 1     -12   21    1 o    3.557000      0.5606000       2.572000 0.9272000       4.541000      0.6304000      -1.969000       1.121000
  1 1 1     -12   21    2 o    5.627000      0.5260000       5.534000 0.8740000       5.720000      0.5855000     -0.1855000       1.052000
  1 1 1     -12   21    3 o    2.254000      0.6750000       2.519000 1.046000       1.990000      0.8530000      0.5292000       1.350000
  1 1 1     -12   21    4 o    2.820000      0.6373000       2.654000 0.9822000       2.985000      0.8122000     -0.3311000       1.275000
  1 1 1     -12   21    5 o    4.280000      0.5597000       3.988000 0.9076000       4.573000      0.6551000     -0.5847000       1.119000
  1 1 1     -12   21    6 o    6.339000      0.3687000       5.982000 0.5739000       6.695000      0.4631000     -0.7128000      0.7375000
  1 1 1     -12   21    7 o    2.119000      0.5967000       2.113000 0.8563000       2.125000      0.8311000     -0.1242000E-01   1.193000
  1 1 1     -12   21    8 o    1.986000      0.5789000       2.172000 0.8642000       1.800000      0.7705000      0.3728000       1.158000
  1 1 1     -12   21    9 o    6.949000      0.3377000       7.024000 0.4974000       6.874000      0.4568000      0.1495000      0.6753000
  1 1 1     -12   21   10 o    5.018000      0.4374000       4.916000 0.6559000       5.119000      0.5788000     -0.2032000      0.8748000
  1 1 1     -12   21   11 o    3.944000      0.5667000       4.753000 0.7096000       3.135000      0.8839000       1.617000       1.133000
  1 1 1     -12   21   12 o    5.891000      0.3956000       5.547000 0.6094000       6.235000      0.5046000     -0.6884000      0.7912000
  1 1 1     -12   21   13 o    3.758000      0.6006000       4.229000 0.7826000       3.288000      0.9113000      0.9405000       1.201000
  1 1 1     -12   21   14 o    4.440000      0.5018000       4.931000 0.6489000       3.950000      0.7657000      0.9803000       1.004000
  1 1 1     -12   21   15 o    4.712000      0.4765000       4.941000 0.6279000       4.484000      0.7170000      0.4569000      0.9531000
  1 1 1     -12   21   16 o    3.099000      0.6763000       2.803000 0.9805000       3.396000      0.9318000     -0.5925000       1.353000
  1 1 1     -12   21   17 o    2.033000      0.6158000       2.124000 0.9011000       1.942000      0.8396000      0.1823000       1.232000
  1 1 1     -12   21   18 o    2.718000      0.6796000       2.436000 0.9488000       2.999000      0.9734000     -0.5631000       1.359000
  1 1 1     -12   21   19 o    2.740000      0.6769000       2.452000 0.9583000       3.027000      0.9562000     -0.5743000       1.354000
  1 1 1     -12   21   20 o    2.165000      0.6466000       1.963000 0.8608000       2.367000      0.9651000     -0.4041000       1.293000
  1 1 1     -12   22    1 o    2.106000      0.6369000       2.507000 1.005000       1.704000      0.7822000      0.8031000       1.274000
  1 1 1     -12   22    2 o    2.106000      0.6406000       2.513000 1.028000       1.698000      0.7641000      0.8148000       1.281000
  1 1 1     -12   22    3 o    3.151000      0.6691000       3.509000 1.010000       2.793000      0.8781000      0.7160000       1.338000
  1 1 1     -12   22    4 o    5.329000      0.4920000       4.877000 0.8257000       5.781000      0.5353000     -0.9040000      0.9840000
  1 1 1     -12   22    5 o    5.360000      0.5030000       5.055000 0.8287000       5.666000      0.5704000     -0.6111000       1.006000
  1 1 1     -12   22    6 o    3.860000      0.6108000       3.786000 0.9778000       3.935000      0.7322000     -0.1483000       1.222000
  1 1 1     -12   22    7 o    2.800000      0.6428000       2.995000 0.9545000       2.606000      0.8612000      0.3891000       1.286000
  1 1 1     -12   22    8 o    2.433000      0.6288000       2.288000 0.9002000       2.578000      0.8783000     -0.2899000       1.258000
  1 1 1     -12   22    9 o    6.693000      0.3635000       7.143000 0.4947000       6.243000      0.5327000      0.8998000      0.7269000
  1 1 1     -12   22   10 o    6.081000      0.3887000       6.015000 0.5756000       6.147000      0.5225000     -0.1318000      0.7774000
  1 1 1     -12   22   11 o    2.939000      0.6402000       2.433000 0.9193000       3.445000      0.8912000      -1.012000       1.280000
  1 1 1     -12   22   12 o    2.280000      0.6415000       2.583000 0.9508000       1.977000      0.8616000      0.6060000       1.283000
  1 1 1     -12   22   13 o    3.083000      0.6297000       3.776000 0.8784000       2.390000      0.9025000       1.386000       1.259000
  1 1 1     -12   22   14 o    6.909000      0.3797000       6.828000 0.5536000       6.990000      0.5198000     -0.1624000      0.7594000
  1 1 1     -12   22   15 o    2.396000      0.6520000       2.509000 0.9501000       2.284000      0.8932000      0.2246000       1.304000
  1 1 1     -12   22   16 o    2.139000      0.6331000       2.142000 0.9044000       2.135000      0.8863000      0.7248000E-02   1.266000
  1 1 1     -12   22   17 o    2.372000      0.6629000       2.450000 0.9514000       2.293000      0.9233000      0.1575000       1.326000
  1 1 1     -12   22   18 o    3.446000      0.6869000       3.467000 0.9773000       3.426000      0.9655000      0.4104000E-01   1.374000
  1 1 1     -12   23    1 o    3.157000      0.7113000       2.710000 1.060000       3.604000      0.9488000     -0.8931000       1.423000
  1 1 1     -12   23    2 o    2.802000      0.9607000                  ?       ?   2.802000      0.9607000                  ?              ?
  1 1 1     -12   23    3 o    2.970000      0.7012000       3.324000 1.041000       2.617000      0.9400000      0.7069000       1.402000
  1 1 1     -12   23    4 o    5.905000      0.4814000       5.373000 0.8003000       6.436000      0.5353000      -1.063000      0.9628000
  1 1 1     -12   23    5 o    2.020000      0.6204000       1.743000 0.8306000       2.297000      0.9219000     -0.5541000       1.241000
  1 1 1     -12   23    6 o    3.566000      0.6991000       3.962000 1.033000       3.171000      0.9425000      0.7911000       1.398000
  1 1 1     -12   23    7 o    3.088000      0.6607000       2.567000 1.008000       3.609000      0.8547000      -1.041000       1.321000
  1 1 1     -12   23    8 o    4.696000      0.5524000       4.077000 0.9063000       5.314000      0.6318000      -1.236000       1.105000
  1 1 1     -12   23    9 o    2.956000      0.6641000       2.688000 0.9762000       3.224000      0.9008000     -0.5364000       1.328000
  1 1 1     -12   23   10 f    2.706000      0.6885000       2.802000 1.015000       2.611000      0.9310000      0.1911000       1.377000
  1 1 1     -12   23   11 o    3.187000      0.6529000       4.015000 0.9118000       2.359000      0.9348000       1.656000       1.306000
  1 1 1     -12   23   12 o    5.389000      0.5091000       5.289000 0.7837000       5.489000      0.6501000     -0.2009000       1.018000
  1 1 1     -12   23   13 o    5.475000      0.5107000       6.369000 0.6475000       4.581000      0.7899000       1.789000       1.021000
  1 1 1     -12   23   14 o    4.366000      0.6022000       5.607000 0.7063000       3.124000      0.9755000       2.483000       1.204000
  1 1 1     -12   23   15 o    2.406000      0.6700000       2.864000 1.028000       1.949000      0.8597000      0.9153000       1.340000
  1 1 1     -12   23   16 o    2.564000      0.7002000       2.527000 0.9900000       2.601000      0.9904000     -0.7417000E-01   1.400000
  1 1 1     -12   24    1 o    2.744000      0.7125000       2.255000 0.9805000       3.233000       1.034000     -0.9784000       1.425000
  1 1 1     -12   24    2 o    5.589000      0.5586000       4.568000 0.9124000       6.610000      0.6449000      -2.042000       1.117000
  1 1 1     -12   24    3 o    6.123000      0.5659000       4.816000 0.9998000       7.431000      0.5304000      -2.615000       1.132000
  1 1 1     -12   24    4 o    3.773000      0.6504000       2.861000 1.054000       4.685000      0.7619000      -1.824000       1.301000
  1 1 1     -12   24    5 o    2.077000      0.6496000       2.088000 0.9367000       2.066000      0.9002000      0.2235000E-01   1.299000
  1 1 1     -12   24    6 o    2.033000      0.6394000       2.396000 1.012000       1.670000      0.7816000      0.7259000       1.279000
  1 1 1     -12   24    7 o    2.878000      0.7172000       2.999000 1.051000       2.757000      0.9757000      0.2419000       1.434000
  1 1 1     -12   24    8 o    3.498000      0.7364000       3.919000 1.065000       3.076000       1.018000      0.8432000       1.473000
  1 1 1     -12   24    9 o    2.427000      0.6940000       2.489000 1.012000       2.366000      0.9494000      0.1230000       1.388000
  1 1 1     -12   24   10 o    3.810000      0.6803000       4.510000 0.9279000       3.109000      0.9951000       1.401000       1.361000
  1 1 1     -12   24   11 o    2.796000      0.6708000       2.157000 0.9455000       3.435000      0.9517000      -1.278000       1.342000
  1 1 1     -12   24   12 o    5.453000      0.5416000       4.859000 0.8825000       6.047000      0.6280000      -1.188000       1.083000
  1 1 1     -12   24   13 o    4.526000      0.6180000       3.892000 0.9740000       5.160000      0.7610000      -1.268000       1.236000
  1 1 1     -12   24   14 o    2.263000      0.6634000       2.355000 0.9525000       2.171000      0.9238000      0.1843000       1.327000
  1 1 1     -12   25    1 o    2.388000      0.6949000       2.204000 0.9764000       2.572000      0.9890000     -0.3686000       1.390000
  1 1 1     -12   25    2 o    2.854000      0.7295000       2.587000 1.050000       3.122000       1.013000     -0.5348000       1.459000
  1 1 1     -12   25    3 o    1.981000      0.6405000       1.832000 0.8722000       2.130000      0.9382000     -0.2983000       1.281000
  1 1 1     -12   25    4 o    3.111000      0.7166000       2.605000 1.061000       3.616000      0.9636000      -1.011000       1.433000
  1 1 1     -12   25    5 o    2.301000      0.6677000       1.771000 0.8444000       2.831000       1.034000      -1.060000       1.335000
  1 1 1     -12   25    6 o    3.589000      0.7263000       3.270000 1.102000       3.909000      0.9468000     -0.6389000       1.453000
  1 1 1     -12   25    7 o    2.009000      0.6374000       2.316000 0.9922000       1.702000      0.8005000      0.6137000       1.275000
  1 1 1     -12   25    8 o    2.977000      0.7131000       2.421000 1.015000       3.532000       1.002000      -1.111000       1.426000
  1 1 1     -12   25    9 o    3.135000      0.6880000       2.356000 1.011000       3.914000      0.9338000      -1.559000       1.376000
  1 1 1     -12   25   10 o    2.129000      0.6514000       1.922000 0.8853000       2.337000      0.9557000     -0.4153000       1.303000
  1 1 1     -12   25   11 o    2.854000      0.7210000       3.070000 1.061000       2.638000      0.9759000      0.4319000       1.442000
  1 1 1     -12   26    1 o    2.377000       1.020000       2.377000 1.020000                  ?              ?              ?              ?
  1 1 1     -12   26    2 o    3.095000      0.7544000       3.159000 1.100000       3.031000       1.032000      0.1278000       1.509000
  1 1 1     -12   26    3 o    2.268000      0.6769000       3.015000 1.134000       1.522000      0.7397000       1.493000       1.354000
  1 1 1     -12   26    4 o    2.538000      0.7355000       2.647000 1.090000       2.430000      0.9878000      0.2174000       1.471000
  1 1 1     -12   26    5 o    2.053000      0.6511000       2.130000 0.9613000       1.977000      0.8785000      0.1532000       1.302000
  1 1 1     -12   26    6 o    2.352000      0.6801000       3.014000 1.098000       1.690000      0.8025000       1.324000       1.360000
  1 1 1     -12   26    7 o    3.055000       1.286000       3.055000 1.286000                  ?              ?              ?              ?
  1 1 1     -11  -36    1 o    2.154000      0.6781000       2.589000 1.078000       1.719000      0.8232000      0.8703000       1.356000
  1 1 1     -11  -36    2 o    3.094000      0.7817000       2.924000 1.142000       3.264000       1.067000     -0.3396000       1.563000
  1 1 1     -11  -36    3 o    2.376000      0.7280000       2.224000 1.007000       2.527000       1.052000     -0.3026000       1.456000
  1 1 1     -11  -36    4 f    2.452000      0.7421000       2.483000 1.068000       2.422000       1.030000      0.6122000E-01   1.484000
  1 1 1     -11  -36    5 o    2.678000      0.7553000       2.583000 1.047000       2.772000       1.089000     -0.1893000       1.511000
  1 1 1     -11  -36    6 o    2.595000      0.7501000       2.649000 1.064000       2.542000       1.058000      0.1072000       1.500000
  1 1 1     -11  -36    7 o    3.026000      0.7392000       2.155000 0.9642000       3.897000       1.121000      -1.742000       1.478000
  1 1 1     -11  -36    8 o    3.596000      0.9802000       4.179000 1.495000       3.014000       1.268000       1.164000       1.960000
  1 1 1     -11  -35    1 f    2.780000      0.7124000       2.068000 0.9561000       3.492000       1.056000      -1.424000       1.425000
  1 1 1     -11  -35    2 o    3.759000      0.7086000       2.791000 1.103000       4.727000      0.8900000      -1.936000       1.417000
  1 1 1     -11  -35    3 o    2.761000      0.7441000       3.215000 1.124000       2.306000      0.9749000      0.9089000       1.488000
  1 1 1     -11  -35    4 o    2.578000      0.7163000       2.807000 1.058000       2.350000      0.9663000      0.4577000       1.433000
  1 1 1     -11  -35    5 o    3.402000      0.6821000       2.383000 1.018000       4.421000      0.9084000      -2.038000       1.364000
  1 1 1     -11  -35    6 o    2.443000      0.7202000       2.626000 1.065000       2.261000      0.9692000      0.3642000       1.440000
  1 1 1     -11  -35    7 o    3.176000      0.7466000       3.266000 1.075000       3.086000       1.036000      0.1799000       1.493000
  1 1 1     -11  -35    8 o    3.467000      0.7329000       3.785000 1.046000       3.149000       1.027000      0.6357000       1.466000
  1 1 1     -11  -35    9 o    2.407000      0.7063000       2.155000 0.9570000       2.659000       1.039000     -0.5043000       1.413000
  1 1 1     -11  -35   10 o    4.371000      0.6941000       4.575000 0.9295000       4.167000       1.031000      0.4085000       1.388000
  1 1 1     -11  -35   11 o    2.325000      0.6860000       2.144000 0.9314000       2.506000       1.007000     -0.3618000       1.372000
  1 1 1     -11  -35   12 o    2.623000       1.223000       2.623000 1.223000                  ?              ?              ?              ?
  1 1 1     -11  -34    1 o    3.227000      0.7065000       3.968000 1.046000       2.486000      0.9500000       1.483000       1.413000
  1 1 1     -11  -34    2 o    4.458000      0.6442000       3.869000 1.068000       5.048000      0.7202000      -1.179000       1.288000
  1 1 1     -11  -34    3 o    4.998000      0.5616000       4.965000 0.8537000       5.032000      0.7299000     -0.6744000E-01   1.123000
  1 1 1     -11  -34    4 o    3.768000      0.6862000       4.206000 0.9671000       3.331000      0.9739000      0.8756000       1.372000
  1 1 1     -11  -34    5 o    2.486000      0.6890000       3.066000 1.074000       1.905000      0.8628000       1.161000       1.378000
  1 1 1     -11  -34    6 o    3.028000      0.6850000       2.185000 0.9560000       3.870000      0.9814000      -1.685000       1.370000
  1 1 1     -11  -34    7 o    3.107000      0.7235000       3.393000 1.035000       2.821000       1.011000      0.5728000       1.447000
  1 1 1     -11  -34    8 o    3.656000      0.7418000       3.754000 1.090000       3.559000       1.006000      0.1953000       1.484000
  1 1 1     -11  -34    9 o    5.300000      0.5635000       5.482000 0.8174000       5.118000      0.7758000      0.3641000       1.127000
  1 1 1     -11  -34   10 o    2.968000      0.7285000       2.976000 1.027000       2.960000       1.034000      0.1587000E-01   1.457000
  1 1 1     -11  -34   11 f    2.853000      0.7100000       2.464000 0.9992000       3.242000       1.009000     -0.7786000       1.420000
  1 1 1     -11  -34   12 o    2.636000      0.7260000       2.412000 0.9888000       2.860000       1.063000     -0.4479000       1.452000
  1 1 1     -11  -34   13 f    2.784000      0.7388000       2.678000 1.013000       2.889000       1.076000     -0.2113000       1.478000
  1 1 1     -11  -34   14 o    2.662000      0.6842000       1.682000 0.8055000       3.642000       1.106000      -1.959000       1.368000
  1 1 1     -11  -33    1 o    2.419000      0.6780000       2.515000 1.010000       2.324000      0.9045000      0.1912000       1.356000
  1 1 1     -11  -33    2 o    3.009000      0.6912000       2.864000 1.016000       3.154000      0.9379000     -0.2900000       1.382000
  1 1 1     -11  -33    3 o    4.922000      0.5376000       4.512000 0.8728000       5.332000      0.6281000     -0.8199000       1.075000
  1 1 1     -11  -33    4 o    3.886000      0.6439000       4.063000 0.9468000       3.709000      0.8729000      0.3534000       1.288000
  1 1 1     -11  -33    5 o    3.460000      0.6953000       3.662000 1.008000       3.258000      0.9575000      0.4046000       1.391000
  1 1 1     -11  -33    6 o    5.463000      0.4775000       5.475000 0.7398000       5.452000      0.6038000      0.2230000E-01  0.9550000
  1 1 1     -11  -33    7 o    3.482000      0.6649000       3.292000 1.003000       3.672000      0.8730000     -0.3798000       1.330000
  1 1 1     -11  -33    8 o    2.474000      0.6704000       3.040000 1.043000       1.907000      0.8421000       1.133000       1.341000
  1 1 1     -11  -33    9 o    2.886000      0.6707000       2.279000 0.9684000       3.493000      0.9282000      -1.214000       1.341000
  1 1 1     -11  -33   10 o    2.983000      0.7068000       3.487000 1.032000       2.478000      0.9659000       1.010000       1.414000
  1 1 1     -11  -33   11 o    2.510000      0.7034000       2.483000 1.009000       2.537000      0.9803000     -0.5422000E-01   1.407000
  1 1 1     -11  -33   12 o    2.561000      0.7109000       2.243000 0.9749000       2.879000       1.035000     -0.6362000       1.422000
  1 1 1     -11  -33   13 o    3.026000      0.7152000       2.755000 1.022000       3.296000       1.001000     -0.5419000       1.430000
  1 1 1     -11  -33   14 o    3.265000      0.7123000       3.132000 0.9877000       3.398000       1.027000     -0.2657000       1.425000
  1 1 1     -11  -33   15 o    2.670000      0.7114000       2.194000 0.9384000       3.146000       1.069000     -0.9518000       1.423000
  1 1 1     -11  -33   16 o    1.708000      0.5680000       1.862000 0.8492000       1.554000      0.7546000      0.3080000       1.136000
  1 1 1     -11  -33   17 o    3.799000      0.8688000       3.402000 1.394000       4.196000       1.037000     -0.7940000       1.738000
  1 1 1     -11  -32    1 o    1.991000      0.5803000       2.382000 0.9152000       1.599000      0.7139000      0.7825000       1.161000
  1 1 1     -11  -32    2 o    5.294000      0.4357000       4.625000 0.7562000       5.963000      0.4332000      -1.337000      0.8715000
  1 1 1     -11  -32    3 o    6.547000      0.3543000       6.690000 0.5419000       6.404000      0.4567000      0.2867000      0.7087000
  1 1 1     -11  -32    4 o    5.237000      0.4433000       5.108000 0.7092000       5.365000      0.5319000     -0.2572000      0.8865000
  1 1 1     -11  -32    5 o    6.359000      0.3820000       6.412000 0.5924000       6.307000      0.4823000      0.1050000      0.7639000
  1 1 1     -11  -32    6 o    6.683000      0.3955000       7.169000 0.6213000       6.197000      0.4895000      0.9716000      0.7910000
  1 1 1     -11  -32    7 o    2.302000      0.6268000       2.332000 0.9099000       2.272000      0.8623000      0.5986000E-01   1.254000
  1 1 1     -11  -32    8 o    2.770000      0.5829000       3.900000 0.8878000       1.639000      0.7555000       2.261000       1.166000
  1 1 1     -11  -32    9 o    4.726000      0.5358000       4.750000 0.8030000       4.701000      0.7095000      0.4919000E-01   1.072000
  1 1 1     -11  -32   10 o    3.955000      0.6405000       4.372000 0.8761000       3.537000      0.9346000      0.8344000       1.281000
  1 1 1     -11  -32   11 o    2.033000      0.6224000       1.820000 0.8339000       2.247000      0.9242000     -0.4268000       1.245000
  1 1 1     -11  -32   12 o    2.978000      0.6572000       2.484000 0.9549000       3.472000      0.9031000     -0.9886000       1.314000
  1 1 1     -11  -32   13 o    4.275000      0.6208000       4.682000 0.8172000       3.868000      0.9347000      0.8135000       1.242000
  1 1 1     -11  -32   14 o    2.811000      0.6524000       3.620000 0.9463000       2.001000      0.8984000       1.619000       1.305000
  1 1 1     -11  -32   15 o    3.358000      0.7377000       3.316000 1.044000       3.399000       1.042000     -0.8326000E-01   1.475000
  1 1 1     -11  -32   16 o    2.012000      0.6273000       2.065000 0.9092000       1.958000      0.8646000      0.1075000       1.255000
  1 1 1     -11  -32   17 o    2.938000      0.7228000       2.956000 1.037000       2.920000       1.007000      0.3518000E-01   1.446000
  1 1 1     -11  -32   18 o    2.018000      0.6299000       1.573000 0.7601000       2.464000       1.005000     -0.8909000       1.260000
  1 1 1     -11  -32   19 o    3.493000      0.8376000       3.668000 1.345000       3.318000      0.9986000      0.3501000       1.675000
  1 1 1     -11  -31    1 o    6.110000      0.3571000       5.963000 0.5564000       6.258000      0.4479000     -0.2942000      0.7143000
  1 1 1     -11  -31    2 o    3.125000      0.6001000       3.419000 0.9167000       2.832000      0.7746000      0.5869000       1.200000
  1 1 1     -11  -31    3 o    3.677000      0.5241000       3.914000 0.8062000       3.440000      0.6699000      0.4742000       1.048000
  1 1 1     -11  -31    4 o    1.700000      0.5309000       2.097000 0.8618000       1.304000      0.6204000      0.7928000       1.062000
  1 1 1     -11  -31    5 o    2.386000      0.5938000       2.760000 0.8785000       2.012000      0.7991000      0.7481000       1.188000
  1 1 1     -11  -31    6 o    2.114000      0.5768000       1.944000 0.8051000       2.285000      0.8263000     -0.3412000       1.154000
  1 1 1     -11  -31    7 o    2.832000      0.5826000       2.496000 0.8616000       3.168000      0.7843000     -0.6719000       1.165000
  1 1 1     -11  -31    8 o    2.321000      0.6004000       2.644000 0.8956000       1.999000      0.8000000      0.6448000       1.201000
  1 1 1     -11  -31    9 o    2.858000      0.6334000       3.461000 0.8951000       2.256000      0.8964000       1.205000       1.267000
  1 1 1     -11  -31   10 o    3.442000      0.5847000       2.539000 0.9220000       4.345000      0.7193000      -1.806000       1.169000
  1 1 1     -11  -31   11 o    2.069000      0.6016000       1.769000 0.7895000       2.368000      0.9081000     -0.5989000       1.203000
  1 1 1     -11  -31   12 o    2.588000      0.6465000       2.314000 0.8948000       2.862000      0.9333000     -0.5486000       1.293000
  1 1 1     -11  -31   13 o    3.320000      0.6456000       3.657000 0.8532000       2.984000      0.9690000      0.6739000       1.291000
  1 1 1     -11  -31   14 o    2.886000      0.7039000       2.758000 0.9825000       3.014000       1.008000     -0.2560000       1.408000
  1 1 1     -11  -31   15 o    4.921000      0.5464000       5.600000 0.6415000       4.242000      0.8847000       1.358000       1.093000
  1 1 1     -11  -31   16 o    2.755000       1.012000       2.755000 1.012000                  ?              ?              ?              ?
  1 1 1     -11  -31   17 o    3.641000      0.6987000       3.519000 0.9758000       3.764000       1.000000     -0.2455000       1.397000
  1 1 1     -11  -31   18 o    3.458000      0.9912000                  ?       ?   3.458000      0.9912000                  ?              ?
  1 1 1     -11  -31   19 o    2.152000      0.6401000       1.958000 0.8677000       2.345000      0.9413000     -0.3875000       1.280000
  1 1 1     -11  -31   20 o    3.405000      0.6855000       2.827000 1.019000       3.984000      0.9169000      -1.157000       1.371000
  1 1 1     -11  -30    1 o    2.866000      0.7374000       3.027000 1.046000       2.705000       1.039000      0.3221000       1.475000
  1 1 1     -11  -30    2 o    5.820000      0.5345000       6.224000 0.7120000       5.415000      0.7974000      0.8096000       1.069000
  1 1 1     -11  -30    3 o    5.771000      0.5039000       5.720000 0.7191000       5.823000      0.7061000     -0.1038000       1.008000
  1 1 1     -11  -30    4 o    1.971000      0.5952000       1.818000 0.7962000       2.124000      0.8850000     -0.3056000       1.190000
  1 1 1     -11  -30    5 o    1.699000      0.5192000       1.857000 0.7943000       1.542000      0.6690000      0.3155000       1.038000
  1 1 1     -11  -30    6 o    2.355000      0.5558000       2.598000 0.7990000       2.111000      0.7728000      0.4870000       1.112000
  1 1 1     -11  -30    7 o    2.298000      0.5679000       2.538000 0.8319000       2.058000      0.7732000      0.4799000       1.136000
  1 1 1     -11  -30    8 o    6.319000      0.3212000       6.533000 0.4376000       6.104000      0.4703000      0.4293000      0.6424000
  1 1 1     -11  -30    9 o    3.637000      0.4968000       3.555000 0.6969000       3.719000      0.7082000     -0.1645000      0.9936000
  1 1 1     -11  -30   10 o    2.037000      0.5466000       2.459000 0.8143000       1.616000      0.7295000      0.8429000       1.093000
  1 1 1     -11  -30   11 o    1.986000      0.5841000       1.869000 0.8042000       2.103000      0.8473000     -0.2347000       1.168000
  1 1 1     -11  -30   12 o    3.733000      0.5839000       3.558000 0.8402000       3.907000      0.8111000     -0.3485000       1.168000
  1 1 1     -11  -30   13 o    3.124000      0.6042000       3.584000 0.8013000       2.664000      0.9046000      0.9199000       1.208000
  1 1 1     -11  -30   14 o    6.571000      0.3411000       6.625000 0.4667000       6.517000      0.4977000      0.1081000      0.6823000
  1 1 1     -11  -30   15 o    1.950000      0.5944000       1.670000 0.7670000       2.230000      0.9084000     -0.5594000       1.189000
  1 1 1     -11  -30   16 o    3.256000      0.5218000       4.762000 0.6932000       1.749000      0.7802000       3.013000       1.044000
  1 1 1     -11  -30   17 o    3.814000      0.7156000       2.859000 1.230000       4.770000      0.7311000      -1.911000       1.431000
  1 1 1     -11  -30   18 o    2.877000       1.011000                  ?       ?   2.877000       1.011000                  ?              ?
  1 1 1     -11  -30   19 o    2.630000      0.6805000       2.551000 0.9562000       2.710000      0.9684000     -0.1590000       1.361000
  1 1 1     -11  -30   20 o    3.171000      0.6610000       3.994000 0.9278000       2.349000      0.9416000       1.645000       1.322000
  1 1 1     -11  -30   21 o    2.549000      0.6774000       2.650000 0.9800000       2.447000      0.9354000      0.2032000       1.355000
  1 1 1     -11  -30   22 o    2.017000      0.6259000       1.775000 0.8276000       2.259000      0.9391000     -0.4841000       1.252000
  1 1 1     -11  -29    1 o    7.009000      0.2849000       7.169000 0.4418000       6.849000      0.3597000      0.3204000      0.5697000
  1 1 1     -11  -29    2 o    8.247000      0.2607000       8.558000 0.3852000       7.937000      0.3513000      0.6216000      0.5214000
  1 1 1     -11  -29    3 o    2.262000      0.5380000       1.942000 0.7862000       2.581000      0.7345000     -0.6399000       1.076000
  1 1 1     -11  -29    4 o    3.292000      0.4778000       3.777000 0.6093000       2.808000      0.7362000      0.9692000      0.9557000
  1 1 1     -11  -29    5 o    5.560000      0.3045000       5.457000 0.4322000       5.662000      0.4290000     -0.2049000      0.6090000
  1 1 1     -11  -29    6 o    5.500000      0.3092000       5.612000 0.4295000       5.388000      0.4449000      0.2240000      0.6184000
  1 1 1     -11  -29    7 o    3.096000      0.5726000       3.598000 0.6255000       2.595000      0.9592000       1.003000       1.145000
  1 1 1     -11  -29    8 o    3.094000      0.6287000       2.530000 0.8276000       3.659000      0.9465000      -1.129000       1.257000
  1 1 1     -11  -29    9 o    3.846000      0.6011000       3.872000 0.6877000       3.821000      0.9860000      0.5069000E-01   1.202000
  1 1 1     -11  -29   10 o    4.544000      0.5200000       4.055000 0.6637000       5.033000      0.8007000     -0.9783000       1.040000
  1 1 1     -11  -29   11 o    1.815000      0.5697000       1.829000 0.7721000       1.801000      0.8379000      0.2770000E-01   1.139000
  1 1 1     -11  -29   12 o    6.187000      0.3325000       6.283000 0.4294000       6.092000      0.5077000      0.1912000      0.6649000
  1 1 1     -11  -29   13 o    1.796000      0.5355000       1.809000 0.7473000       1.783000      0.7671000      0.2613000E-01   1.071000
  1 1 1     -11  -29   14 o    2.812000      0.5705000       2.058000 0.8104000       3.566000      0.8033000      -1.508000       1.141000
  1 1 1     -11  -29   15 o    2.744000      0.6334000       2.713000 0.8647000       2.775000      0.9258000     -0.6248000E-01   1.267000
  1 1 1     -11  -29   16 o    2.440000      0.6170000       2.598000 0.8488000       2.282000      0.8958000      0.3162000       1.234000
  1 1 1     -11  -29   17 o    1.862000      0.5841000       1.757000 0.7946000       1.967000      0.8564000     -0.2104000       1.168000
  1 1 1     -11  -29   18 f    3.055000      0.6917000       3.228000 0.9800000       2.882000      0.9765000      0.3468000       1.383000
  1 1 1     -11  -29   19 o    3.979000      0.6292000       3.203000 1.006000       4.755000      0.7561000      -1.552000       1.258000
  1 1 1     -11  -29   20 o    2.915000      0.6765000       3.436000 0.9902000       2.394000      0.9219000       1.042000       1.353000
  1 1 1     -11  -29   21 o    3.200000      0.6841000       2.913000 0.9698000       3.487000      0.9652000     -0.5744000       1.368000
  1 1 1     -11  -29   22 o    2.487000      0.6693000       2.333000 0.8952000       2.640000      0.9951000     -0.3066000       1.339000
  1 1 1     -11  -29   23 o    2.313000      0.6616000       1.795000 0.8341000       2.831000       1.027000      -1.036000       1.323000
  1 1 1     -11  -28    1 o    7.186000      0.3481000       7.015000 0.6189000       7.358000      0.3187000     -0.3420000      0.6962000
  1 1 1     -11  -28    2 o    4.574000      0.5266000       4.302000 0.8988000       4.845000      0.5490000     -0.5439000       1.053000
  1 1 1     -11  -28    3 o    9.652000      0.3488000       9.658000 0.5500000       9.645000      0.4292000      0.1304000E-01  0.6976000
  1 1 1     -11  -28    4 o    7.247000      0.4105000       7.369000 0.6612000       7.126000      0.4867000      0.2435000      0.8211000
  1 1 1     -11  -28    5 o    3.954000      0.6566000       3.983000 1.091000       3.926000      0.7304000      0.5724000E-01   1.313000
  1 1 1     -11  -28    6 o    3.696000      0.7078000       3.912000 1.096000       3.480000      0.8959000      0.4315000       1.416000
  1 1 1     -11  -28    7 o    2.761000      0.6880000       2.716000 1.050000       2.807000      0.8899000     -0.9149000E-01   1.376000
  1 1 1     -11  -28    8 o    1.995000      0.5282000       1.857000 0.7206000       2.133000      0.7724000     -0.2760000       1.056000
  1 1 1     -11  -28    9 o    6.234000      0.2719000       6.248000 0.3740000       6.221000      0.3948000      0.2737000E-01  0.5439000
  1 1 1     -11  -28   10 o    3.881000      0.4068000       3.740000 0.5485000       4.022000      0.6009000     -0.2821000      0.8136000
  1 1 1     -11  -28   11 o    1.739000      0.5052000       2.007000 0.7472000       1.471000      0.6801000      0.5355000       1.010000
  1 1 1     -11  -28   12 o    6.400000      0.2824000       6.814000 0.4083000       5.987000      0.3901000      0.8270000      0.5647000
  1 1 1     -11  -28   13 o    2.227000      0.6469000       1.835000 0.7783000       2.620000       1.033000     -0.7846000       1.294000
  1 1 1     -11  -28   14 f    3.764000      0.6369000       3.209000 0.7840000       4.319000       1.004000      -1.110000       1.274000
  1 1 1     -11  -28   15 o    3.496000      0.6550000       3.113000 0.7653000       3.879000       1.063000     -0.7661000       1.310000
  1 1 1     -11  -28   16 o    3.373000      0.5751000       3.118000 0.8203000       3.628000      0.8064000     -0.5097000       1.150000
  1 1 1     -11  -28   17 o    2.995000      0.6234000       3.211000 0.8803000       2.780000      0.8829000      0.4315000       1.247000
  1 1 1     -11  -28   18 o    3.711000      0.5744000       3.129000 0.8616000       4.293000      0.7600000      -1.165000       1.149000
  1 1 1     -11  -28   19 o    1.876000      0.5817000       2.191000 0.8982000       1.560000      0.7394000      0.6305000       1.163000
  1 1 1     -11  -28   20 o    3.518000      0.5770000       4.550000 0.6826000       2.486000      0.9305000       2.064000       1.154000
  1 1 1     -11  -28   21 o    4.075000      0.6177000       4.779000 0.7491000       3.371000      0.9823000       1.408000       1.235000
  1 1 1     -11  -28   22 o    4.544000      0.5523000       4.611000 0.7379000       4.478000      0.8218000      0.1336000       1.105000
  1 1 1     -11  -28   23 f    2.223000      0.6399000       2.403000 0.9213000       2.043000      0.8883000      0.3605000       1.280000
  1 1 1     -11  -28   24 o    2.536000      0.6832000       2.375000 0.9463000       2.697000      0.9856000     -0.3217000       1.366000
  1 1 1     -11  -28   25 o    2.666000      0.7312000       3.616000 1.193000       1.715000      0.8462000       1.901000       1.462000
  1 1 1     -11  -27    1 o    2.859000      0.4793000       2.387000 0.7477000       3.332000      0.6001000     -0.9450000      0.9587000
  1 1 1     -11  -27    2 o    9.695000      0.2157000       9.719000 0.3149000       9.671000      0.2948000      0.4747000E-01  0.4313000
  1 1 1     -11  -27    3 f    4.065000      0.3376000       3.857000 0.5043000       4.273000      0.4491000     -0.4164000      0.6753000
  1 1 1     -11  -27    4 o    2.898000      0.4681000       3.366000 0.5861000       2.430000      0.7299000      0.9360000      0.9361000
  1 1 1     -11  -27    5 o    5.403000      0.2956000       5.158000 0.4352000       5.648000      0.4000000     -0.4902000      0.5911000
  1 1 1     -11  -27    6 o    9.408000      0.2214000       9.287000 0.3170000       9.530000      0.3092000     -0.2435000      0.4428000
  1 1 1     -11  -27    7 o    4.815000      0.3309000       5.087000 0.4330000       4.543000      0.5005000      0.5440000      0.6618000
  1 1 1     -11  -27    8 o    2.393000      0.4846000       2.878000 0.6177000       1.908000      0.7469000      0.9697000      0.9692000
  1 1 1     -11  -27    9 o    2.641000      0.7071000       2.334000 1.043000       2.948000      0.9552000     -0.6142000       1.414000
  1 1 1     -11  -27   10 o    2.652000      0.7133000       3.149000 1.132000       2.155000      0.8686000      0.9937000       1.427000
  1 1 1     -11  -27   11 o    4.474000      0.7214000       5.125000 1.112000       3.824000      0.9192000       1.301000       1.443000
  1 1 1     -11  -27   12 o    5.727000      0.3674000       5.640000 0.4017000       5.815000      0.6154000     -0.1748000      0.7349000
  1 1 1     -11  -27   13 o    3.846000      0.4684000       4.083000 0.5808000       3.609000      0.7350000      0.4737000      0.9368000
  1 1 1     -11  -27   14 o    3.385000      0.5176000       3.363000 0.6984000       3.406000      0.7641000     -0.4298000E-01   1.035000
  1 1 1     -11  -27   15 o    2.275000      0.5902000       2.144000 0.7964000       2.407000      0.8713000     -0.2638000       1.180000
  1 1 1     -11  -27   16 o    4.850000      0.5262000       5.042000 0.5078000       4.659000      0.9217000      0.3831000       1.052000
  1 1 1     -11  -27   17 o    3.196000      0.9431000       3.196000 0.9431000                  ?              ?              ?              ?
  1 1 1     -11  -27   18 o    2.632000      0.7140000       2.352000 0.8763000       2.912000       1.128000     -0.5604000       1.428000
  1 1 1     -11  -27   19 o    2.901000      0.9125000                  ?       ?   2.901000      0.9125000                  ?              ?
  1 1 1     -11  -27   20 o    5.454000      0.4035000       5.183000 0.5748000       5.725000      0.5665000     -0.5422000      0.8070000
  1 1 1     -11  -27   21 o    5.383000      0.4731000       5.762000 0.6062000       5.004000      0.7264000      0.7578000      0.9462000
  1 1 1     -11  -27   22 o    1.996000      0.6055000       1.851000 0.8055000       2.142000      0.9043000     -0.2907000       1.211000
  1 1 1     -11  -27   23 o    4.120000      0.5773000       4.133000 0.8009000       4.107000      0.8318000      0.2595000E-01   1.155000
  1 1 1     -11  -27   24 o    1.970000      0.5989000       1.668000 0.7799000       2.273000      0.9092000     -0.6045000       1.198000
  1 1 1     -11  -27   25 o    1.886000      0.5884000       1.556000 0.7347000       2.216000      0.9193000     -0.6592000       1.177000
  1 1 1     -11  -27   26 o    2.520000      0.6614000       3.075000 0.9889000       1.965000      0.8786000       1.110000       1.323000
  1 1 1     -11  -26    1 o    2.492000      0.4823000       2.687000 0.6704000       2.298000      0.6936000      0.3896000      0.9646000
  1 1 1     -11  -26    2 o    7.273000      0.2145000       7.123000 0.3134000       7.422000      0.2930000     -0.2999000      0.4290000
  1 1 1     -11  -26    3 o    8.161000      0.2142000       8.094000 0.3091000       8.228000      0.2965000     -0.1339000      0.4284000
  1 1 1     -11  -26    4 o    5.426000      0.2616000       5.627000 0.3635000       5.224000      0.3764000      0.4028000      0.5233000
  1 1 1     -11  -26    5 o    8.988000      0.2156000       8.873000 0.3098000       9.104000      0.3000000     -0.2303000      0.4313000
  1 1 1     -11  -26    6 o    13.23000      0.2348000       13.08000 0.3340000       13.37000      0.3302000     -0.2868000      0.4696000
  1 1 1     -11  -26    7 o    1.216000      0.4006000       1.069000 0.5118000       1.364000      0.6164000     -0.2941000      0.8012000
  1 1 1     -11  -26    8 o    2.137000      0.4853000       2.534000 0.6543000       1.739000      0.7170000      0.7945000      0.9707000
  1 1 1     -11  -26    9 o    2.251000      0.5087000       1.702000 0.6921000       2.801000      0.7458000      -1.100000       1.017000
  1 1 1     -11  -26   10 o    2.140000      0.5251000       1.764000 0.7007000       2.516000      0.7821000     -0.7523000       1.050000
  1 1 1     -11  -26   11 f    3.429000      0.4725000       3.230000 0.6670000       3.628000      0.6693000     -0.3977000      0.9449000
  1 1 1     -11  -26   12 o    2.292000      0.5356000       1.804000 0.7307000       2.779000      0.7833000     -0.9743000       1.071000
  1 1 1     -11  -26   13 o    3.215000      0.7384000       4.290000 1.174000       2.140000      0.8952000       2.150000       1.477000
  1 1 1     -11  -26   14 f    3.190000      0.7574000       3.633000 1.193000       2.746000      0.9332000      0.8871000       1.515000
  1 1 1     -11  -26   15 o    2.523000      0.7473000       2.485000 1.129000       2.562000      0.9796000     -0.7731000E-01   1.495000
  1 1 1     -11  -26   16 o    2.926000      0.5712000       2.404000 0.8321000       3.448000      0.7828000      -1.044000       1.142000
  1 1 1     -11  -26   17 f    4.093000      0.5695000       5.530000 0.5338000       2.656000       1.006000       2.874000       1.139000
  1 1 1     -11  -26   18 o    2.421000      0.5488000       3.078000 0.7653000       1.765000      0.7866000       1.313000       1.098000
  1 1 1     -11  -26   19 o    3.432000       1.141000                  ?       ?   3.432000       1.141000                  ?              ?
  1 1 1     -11  -26   20 o    3.475000      0.7426000       3.742000 0.8986000       3.208000       1.182000      0.5341000       1.485000
  1 1 1     -11  -26   21 o    2.195000      0.5799000       2.826000 0.9099000       1.564000      0.7190000       1.262000       1.160000
  1 1 1     -11  -26   22 o    5.467000      0.4272000       5.511000 0.5546000       5.424000      0.6501000      0.8689000E-01  0.8545000
  1 1 1     -11  -26   23 o    7.014000      0.3920000       7.557000 0.4835000       6.471000      0.6171000       1.086000      0.7840000
  1 1 1     -11  -26   24 o    3.256000      0.6261000       2.737000 0.8916000       3.774000      0.8793000      -1.037000       1.252000
  1 1 1     -11  -26   25 o    2.551000      0.6537000       2.672000 0.9232000       2.430000      0.9257000      0.2421000       1.307000
  1 1 1     -11  -26   26 o    4.357000      0.5872000       4.867000 0.7153000       3.847000      0.9315000       1.019000       1.174000
  1 1 1     -11  -26   27 o    2.561000      0.6774000       2.938000 0.9833000       2.183000      0.9320000      0.7547000       1.355000
  1 1 1     -11  -25    1 o    2.679000      0.4317000       2.742000 0.6324000       2.617000      0.5879000      0.1253000      0.8635000
  1 1 1     -11  -25    2 o    3.391000      0.3500000       3.530000 0.4847000       3.253000      0.5052000      0.2769000      0.7001000
  1 1 1     -11  -25    3 o    5.012000      0.2555000       5.005000 0.3606000       5.018000      0.3622000     -0.1267000E-01  0.5111000
  1 1 1     -11  -25    4 o    4.873000      0.2668000       4.838000 0.3676000       4.907000      0.3869000     -0.6832000E-01  0.5337000
  1 1 1     -11  -25    5 o    6.861000      0.2224000       6.855000 0.3058000       6.867000      0.3229000     -0.1271000E-01  0.4447000
  1 1 1     -11  -25    6 o    1.475000      0.4514000       1.331000 0.5892000       1.619000      0.6840000     -0.2879000      0.9028000
  1 1 1     -11  -25    7 o    4.563000      0.3222000       5.028000 0.4085000       4.097000      0.4983000      0.9314000      0.6444000
  1 1 1     -11  -25    8 o    4.845000      0.2913000       5.142000 0.3771000       4.549000      0.4441000      0.5924000      0.5826000
  1 1 1     -11  -25    9 o    2.699000      0.5130000       2.832000 0.6728000       2.566000      0.7747000      0.2668000       1.026000
  1 1 1     -11  -25   10 o    4.388000      0.3485000       4.195000 0.4903000       4.581000      0.4953000     -0.3867000      0.6969000
  1 1 1     -11  -25   11 o    4.519000      0.3688000       3.714000 0.5702000       5.324000      0.4678000      -1.611000      0.7376000
  1 1 1     -11  -25   12 o    2.563000      0.5255000       1.781000 0.7377000       3.344000      0.7485000      -1.563000       1.051000
  1 1 1     -11  -25   13 o    2.780000      0.5374000       3.139000 0.7090000       2.421000      0.8078000      0.7176000       1.075000
  1 1 1     -11  -25   14 o    4.234000      0.4507000       4.986000 0.5235000       3.481000      0.7338000       1.505000      0.9014000
  1 1 1     -11  -25   15 o    4.158000      0.4441000       4.359000 0.5831000       3.957000      0.6700000      0.4024000      0.8883000
  1 1 1     -11  -25   16 o    3.165000      0.7912000       4.320000 1.316000       2.009000      0.8780000       2.311000       1.582000
  1 1 1     -11  -25   17 o    5.561000      0.6665000       4.872000 1.159000       6.250000      0.6583000      -1.377000       1.333000
  1 1 1     -11  -25   18 o    5.497000      0.6880000       4.912000 1.215000       6.081000      0.6460000      -1.169000       1.376000
  1 1 1     -11  -25   19 o    3.779000      0.5385000       3.612000 0.7434000       3.947000      0.7792000     -0.3348000       1.077000
  1 1 1     -11  -25   20 o    1.830000      0.5653000       1.918000 0.8210000       1.742000      0.7773000      0.1755000       1.131000
  1 1 1     -11  -25   21 o    5.675000      0.3907000       5.871000 0.5482000       5.479000      0.5567000      0.3917000      0.7813000
  1 1 1     -11  -25   22 o    3.545000      0.7791000       3.009000 0.9802000       4.081000       1.211000      -1.073000       1.558000
  1 1 1     -11  -25   23 o    3.149000      0.7148000       2.156000 0.8656000       4.141000       1.138000      -1.985000       1.430000
  1 1 1     -11  -25   24 o    2.418000      0.6529000       2.580000 0.9168000       2.256000      0.9298000      0.3244000       1.306000
  1 1 1     -11  -25   25 o    2.370000      0.6451000       1.866000 0.8391000       2.875000      0.9802000      -1.009000       1.290000
  1 1 1     -11  -25   26 o    2.573000      0.6654000       2.447000 0.9107000       2.700000      0.9704000     -0.2533000       1.331000
  1 1 1     -11  -25   27 o    2.327000      0.6376000       2.094000 0.8645000       2.559000      0.9373000     -0.4647000       1.275000
  1 1 1     -11  -25   28 o    1.869000      0.5706000       2.253000 0.8906000       1.486000      0.7135000      0.7669000       1.141000
  1 1 1     -11  -24    1 o    1.955000      0.4559000       2.118000 0.6342000       1.792000      0.6551000      0.3259000      0.9118000
  1 1 1     -11  -24    2 o    2.525000      0.4336000       2.610000 0.6000000       2.440000      0.6260000      0.1698000      0.8671000
  1 1 1     -11  -24    3 o    2.799000      0.4165000       3.072000 0.5272000       2.527000      0.6450000      0.5450000      0.8330000
  1 1 1     -11  -24    4 o    3.199000      0.3528000       3.310000 0.4384000       3.088000      0.5527000      0.2223000      0.7055000
  1 1 1     -11  -24    5 o    3.735000      0.3355000       3.971000 0.4319000       3.499000      0.5136000      0.4715000      0.6711000
  1 1 1     -11  -24    6 o    7.357000      0.2463000       7.753000 0.3607000       6.960000      0.3356000      0.7928000      0.4927000
  1 1 1     -11  -24    7 o    6.850000      0.2411000       7.323000 0.3322000       6.376000      0.3495000      0.9470000      0.4822000
  1 1 1     -11  -24    8 o    5.879000      0.2507000       5.968000 0.3432000       5.790000      0.3656000      0.1772000      0.5014000
  1 1 1     -11  -24    9 o    2.295000      0.5096000       2.371000 0.6865000       2.219000      0.7535000      0.1517000       1.019000
  1 1 1     -11  -24   10 o    6.037000      0.2810000       5.632000 0.4078000       6.442000      0.3866000     -0.8106000      0.5620000
  1 1 1     -11  -24   11 o    1.487000      0.4641000       1.373000 0.6224000       1.601000      0.6887000     -0.2272000      0.9283000
  1 1 1     -11  -24   12 o    2.218000      0.4562000       3.156000 0.6786000       1.280000      0.6099000       1.876000      0.9124000
  1 1 1     -11  -24   13 o    4.180000      0.3941000       4.162000 0.5557000       4.197000      0.5590000     -0.3511000E-01  0.7882000
  1 1 1     -11  -24   14 o    9.760000      0.2464000       9.861000 0.3504000       9.659000      0.3466000      0.2025000      0.4929000
  1 1 1     -11  -24   15 o    4.562000      0.4065000       4.317000 0.5784000       4.806000      0.5712000     -0.4887000      0.8129000
  1 1 1     -11  -24   16 o    4.895000      0.3929000       5.007000 0.5244000       4.782000      0.5852000      0.2258000      0.7858000
  1 1 1     -11  -24   17 o    4.188000      0.4880000       3.500000 0.7568000       4.876000      0.6163000      -1.376000      0.9759000
  1 1 1     -11  -24   18 o    3.721000      0.5066000       4.142000 0.6407000       3.301000      0.7850000      0.8414000       1.013000
  1 1 1     -11  -24   19 f    3.011000      0.7764000       2.892000 1.209000       3.131000      0.9747000     -0.2387000       1.553000
  1 1 1     -11  -24   20 o    3.887000      0.7718000       3.520000 1.227000       4.254000      0.9361000     -0.7341000       1.544000
  1 1 1     -11  -24   21 o    1.804000      0.5590000       1.543000 0.7147000       2.065000      0.8598000     -0.5218000       1.118000
  1 1 1     -11  -24   22 o    2.726000      0.6256000       2.438000 0.8370000       3.014000      0.9302000     -0.5766000       1.251000
  1 1 1     -11  -24   23 o    3.855000      0.5638000       4.036000 0.7440000       3.674000      0.8475000      0.3625000       1.128000
  1 1 1     -11  -24   24 o    3.111000      0.7333000       3.520000 0.9258000       2.702000       1.137000      0.8183000       1.467000
  1 1 1     -11  -24   25 o    3.395000      0.7361000       3.381000 0.9187000       3.409000       1.150000     -0.2788000E-01   1.472000
  1 1 1     -11  -24   26 o    2.539000      0.6669000       2.495000 0.9297000       2.584000      0.9562000     -0.8826000E-01   1.334000
  1 1 1     -11  -24   27 o    3.677000      0.6227000       3.015000 0.9498000       4.339000      0.8055000      -1.324000       1.245000
  1 1 1     -11  -24   28 o    2.184000      0.6106000       1.558000 0.7373000       2.810000      0.9735000      -1.252000       1.221000
  1 1 1     -11  -24   29 o    3.004000      0.7383000       2.752000 1.122000       3.257000      0.9599000     -0.5048000       1.477000
  1 1 1     -11  -23    1 o    5.520000      0.2277000       5.428000 0.3223000       5.612000      0.3217000     -0.1844000      0.4554000
  1 1 1     -11  -23    2 o    3.681000      0.3079000       3.463000 0.4477000       3.898000      0.4229000     -0.4343000      0.6158000
  1 1 1     -11  -23    3 o    3.681000      0.3111000       3.788000 0.4044000       3.574000      0.4728000      0.2140000      0.6221000
  1 1 1     -11  -23    4 f    5.359000      0.2312000       5.324000 0.3088000       5.395000      0.3443000     -0.7093000E-01  0.4625000
  1 1 1     -11  -23    5 o    3.350000      0.3683000       3.484000 0.4945000       3.215000      0.5458000      0.2686000      0.7365000
  1 1 1     -11  -23    6 f    8.292000      0.2155000       8.338000 0.2980000       8.246000      0.3114000      0.9175000E-01  0.4310000
  1 1 1     -11  -23    7 o    6.548000      0.2382000       6.405000 0.3334000       6.692000      0.3404000     -0.2871000      0.4765000
  1 1 1     -11  -23    8 o    2.020000      0.5094000       1.967000 0.7007000       2.073000      0.7396000     -0.1060000       1.019000
  1 1 1     -11  -23    9 o    9.794000      0.2269000       9.535000 0.3220000       10.05000      0.3198000     -0.5172000      0.4538000
  1 1 1     -11  -23   10 o    2.159000      0.4890000       2.622000 0.6780000       1.696000      0.7050000      0.9260000      0.9781000
  1 1 1     -11  -23   11 o    3.944000      0.3832000       3.838000 0.5108000       4.050000      0.5713000     -0.2114000      0.7664000
  1 1 1     -11  -23   12 o    2.554000      0.5380000       2.919000 0.7285000       2.190000      0.7919000      0.7287000       1.076000
  1 1 1     -11  -23   13 o    5.102000      0.3408000       4.719000 0.4965000       5.485000      0.4671000     -0.7667000      0.6817000
  1 1 1     -11  -23   14 o    7.285000      0.2782000       7.174000 0.3848000       7.395000      0.4017000     -0.2215000      0.5563000
  1 1 1     -11  -23   15 o    9.779000      0.2572000       9.691000 0.3540000       9.867000      0.3734000     -0.1760000      0.5145000
  1 1 1     -11  -23   16 o    7.325000      0.2856000       7.338000 0.3758000       7.312000      0.4302000      0.2600000E-01  0.5712000
  1 1 1     -11  -23   17 o    3.194000      0.5261000       3.371000 0.6819000       3.017000      0.8013000      0.3540000       1.052000
  1 1 1     -11  -23   18 o    1.727000      0.7568000       1.727000 0.7568000                  ?              ?              ?              ?
  1 1 1     -11  -23   19 o    3.682000      0.5234000       4.876000 0.5759000       2.488000      0.8741000       2.388000       1.047000
  1 1 1     -11  -23   20 o    4.461000      0.6581000                  ?       ?   4.461000      0.6581000                  ?              ?
  1 1 1     -11  -23   21 o    3.000000      0.7801000       2.872000 1.185000       3.128000       1.015000     -0.2563000       1.560000
  1 1 1     -11  -23   22 o    3.055000      0.7702000       2.483000 1.123000       3.628000       1.055000      -1.145000       1.540000
  1 1 1     -11  -23   23 o    5.949000      0.3687000       5.991000 0.4792000       5.908000      0.5604000      0.8345000E-01  0.7374000
  1 1 1     -11  -23   24 o    3.682000      0.5990000       3.554000 0.8002000       3.811000      0.8915000     -0.2565000       1.198000
  1 1 1     -11  -23   25 o    2.910000      0.7547000       2.713000 0.9176000       3.108000       1.199000     -0.3941000       1.509000
  1 1 1     -11  -23   26 o    3.080000      0.7732000       2.366000 0.9546000       3.793000       1.216000      -1.427000       1.546000
  1 1 1     -11  -23   27 o    1.873000      0.5760000       1.523000 0.7081000       2.223000      0.9088000     -0.7002000       1.152000
  1 1 1     -11  -23   28 o    1.840000      0.5807000       1.757000 0.7877000       1.924000      0.8535000     -0.1670000       1.161000
  1 1 1     -11  -23   29 o    1.696000      0.5465000       1.902000 0.8214000       1.489000      0.7210000      0.4126000       1.093000
  1 1 1     -11  -22    1 o    11.85000      0.2061000       11.69000 0.2938000       12.01000      0.2892000     -0.3200000      0.4122000
  1 1 1     -11  -22    2 o    6.478000      0.2076000       6.454000 0.2907000       6.501000      0.2963000     -0.4674000E-01  0.4151000
  1 1 1     -11  -22    3 o    4.975000      0.2314000       5.054000 0.3155000       4.896000      0.3386000      0.1582000      0.4628000
  1 1 1     -11  -22    4 o    5.429000      0.2344000       5.382000 0.3259000       5.477000      0.3370000     -0.9556000E-01  0.4688000
  1 1 1     -11  -22    5 o    5.058000      0.2402000       4.819000 0.3383000       5.296000      0.3411000     -0.4769000      0.4804000
  1 1 1     -11  -22    6 o    5.687000      0.2471000       5.439000 0.3582000       5.935000      0.3404000     -0.4953000      0.4941000
  1 1 1     -11  -22    7 o    6.578000      0.2387000       6.553000 0.3302000       6.603000      0.3449000     -0.5007000E-01  0.4775000
  1 1 1     -11  -22    8 o    3.892000      0.3420000       3.779000 0.4858000       4.005000      0.4815000     -0.2262000      0.6840000
  1 1 1     -11  -22    9 o    7.076000      0.2403000       6.848000 0.3303000       7.303000      0.3492000     -0.4546000      0.4806000
  1 1 1     -11  -22   10 o    3.239000      0.4765000       3.749000 0.5696000       2.729000      0.7641000       1.020000      0.9531000
  1 1 1     -11  -22   11 o    4.290000      0.3669000       4.553000 0.4812000       4.028000      0.5540000      0.5256000      0.7338000
  1 1 1     -11  -22   12 o    4.529000      0.3421000       4.531000 0.4472000       4.527000      0.5179000      0.4274000E-02  0.6843000
  1 1 1     -11  -22   13 o    3.856000      0.4083000       4.060000 0.4991000       3.652000      0.6464000      0.4087000      0.8167000
  1 1 1     -11  -22   14 o    5.539000      0.3159000       5.234000 0.4318000       5.843000      0.4611000     -0.6091000      0.6317000
  1 1 1     -11  -22   15 o    9.254000      0.2550000       9.213000 0.3465000       9.296000      0.3743000     -0.8379000E-01  0.5101000
  1 1 1     -11  -22   16 o    4.793000      0.3623000       4.484000 0.4987000       5.102000      0.5256000     -0.6185000      0.7245000
  1 1 1     -11  -22   17 o    6.743000      0.3002000       6.923000 0.4184000       6.563000      0.4307000      0.3602000      0.6004000
  1 1 1     -11  -22   18 o    1.384000      0.6492000       1.384000 0.6492000                  ?              ?              ?              ?
  1 1 1     -11  -22   19 o    3.938000      0.4836000       4.269000 0.6047000       3.607000      0.7548000      0.6618000      0.9672000
  1 1 1     -11  -22   20 o    4.927000      0.6218000                  ?       ?   4.927000      0.6218000                  ?              ?
  1 1 1     -11  -22   21 o    2.219000      0.5716000       2.527000 0.8169000       1.911000      0.7998000      0.6157000       1.143000
  1 1 1     -11  -22   22 f    5.522000      0.4202000       6.145000 0.5220000       4.898000      0.6587000       1.247000      0.8404000
  1 1 1     -11  -22   23 o    3.201000      0.7584000       3.215000 1.147000       3.187000      0.9920000      0.2829000E-01   1.517000
  1 1 1     -11  -22   24 o    2.560000      0.7434000       2.442000 1.074000       2.679000       1.028000     -0.2370000       1.487000
  1 1 1     -11  -22   25 o    3.471000      0.6422000       3.373000 0.8529000       3.570000      0.9604000     -0.1974000       1.284000
  1 1 1     -11  -22   26 o    3.052000      0.6619000       2.621000 0.9273000       3.483000      0.9448000     -0.8623000       1.324000
  1 1 1     -11  -22   27 o    3.088000      0.6953000       4.016000 0.9518000       2.159000       1.014000       1.856000       1.391000
  1 1 1     -11  -22   28 o    3.218000      0.7583000       3.615000 0.9950000       2.821000       1.145000      0.7947000       1.517000
  1 1 1     -11  -22   29 o    1.822000      0.5827000       1.834000 0.8196000       1.810000      0.8286000      0.2401000E-01   1.165000
  1 1 1     -11  -22   30 o    1.689000      0.5576000       1.718000 0.7918000       1.661000      0.7854000      0.5606000E-01   1.115000
  1 1 1     -11  -21    1 o    4.085000      0.3023000       4.016000 0.3751000       4.154000      0.4742000     -0.1378000      0.6046000
  1 1 1     -11  -21    2 o    3.212000      0.3227000       3.049000 0.4735000       3.375000      0.4386000     -0.3253000      0.6455000
  1 1 1     -11  -21    3 o    2.190000      0.3825000       2.977000 0.4854000       1.403000      0.5912000       1.575000      0.7649000
  1 1 1     -11  -21    4 o    8.300000      0.1983000       8.452000 0.2782000       8.148000      0.2827000      0.3033000      0.3967000
  1 1 1     -11  -21    5 o    1.254000      0.3982000       1.174000 0.5340000       1.334000      0.5908000     -0.1600000      0.7964000
  1 1 1     -11  -21    6 f    1.737000      0.4540000       1.947000 0.6429000       1.527000      0.6411000      0.4193000      0.9079000
  1 1 1     -11  -21    7 o    5.650000      0.2376000       5.623000 0.3274000       5.677000      0.3443000     -0.5441000E-01  0.4751000
  1 1 1     -11  -21    8 o    8.639000      0.2158000       8.523000 0.3049000       8.756000      0.3055000     -0.2323000      0.4316000
  1 1 1     -11  -21    9 o    11.55000      0.2223000       11.44000 0.3075000       11.67000      0.3211000     -0.2246000      0.4446000
  1 1 1     -11  -21   10 o    2.770000      0.4974000       3.158000 0.6051000       2.383000      0.7897000      0.7744000      0.9949000
  1 1 1     -11  -21   11 o    5.250000      0.3079000       5.493000 0.4032000       5.007000      0.4654000      0.4866000      0.6158000
  1 1 1     -11  -21   12 o    9.462000      0.2395000       9.216000 0.3419000       9.708000      0.3355000     -0.4924000      0.4790000
  1 1 1     -11  -21   13 f    3.599000      0.4449000       4.170000 0.4840000       3.028000      0.7467000       1.142000      0.8898000
  1 1 1     -11  -21   14 o    3.234000      0.4875000       3.875000 0.5446000       2.594000      0.8087000       1.281000      0.9750000
  1 1 1     -11  -21   15 o    6.689000      0.2819000       6.815000 0.3813000       6.563000      0.4153000      0.2517000      0.5638000
  1 1 1     -11  -21   16 o    10.68000      0.2455000       10.46000 0.3456000       10.90000      0.3487000     -0.4368000      0.4909000
  1 1 1     -11  -21   17 o    3.933000      0.4672000       3.277000 0.7441000       4.589000      0.5650000      -1.312000      0.9343000
  1 1 1     -11  -21   18 o    3.817000      0.4736000       3.875000 0.6329000       3.759000      0.7048000      0.1159000      0.9472000
  1 1 1     -11  -21   19 o    8.941000      0.2693000       9.166000 0.3783000       8.716000      0.3835000      0.4507000      0.5387000
  1 1 1     -11  -21   20 o    4.386000      0.4433000       4.227000 0.6336000       4.545000      0.6200000     -0.3175000      0.8865000
  1 1 1     -11  -21   21 o    4.870000      0.4109000       4.666000 0.5651000       5.073000      0.5967000     -0.4068000      0.8218000
  1 1 1     -11  -21   22 o    4.994000      0.4107000       4.816000 0.5854000       5.173000      0.5762000     -0.3562000      0.8214000
  1 1 1     -11  -21   23 o    2.285000      0.5939000       2.651000 0.8591000       1.918000      0.8201000      0.7333000       1.188000
  1 1 1     -11  -21   24 o    7.991000      0.3002000       7.516000 0.3965000       8.466000      0.4507000     -0.9501000      0.6003000
  1 1 1     -11  -21   25 o    7.120000      0.5179000       7.299000 0.8081000       6.940000      0.6480000      0.3586000       1.036000
  1 1 1     -11  -21   26 o    2.914000      0.6643000       2.804000 0.9308000       3.024000      0.9481000     -0.2199000       1.329000
  1 1 1     -11  -21   27 o    1.999000      0.6141000       1.981000 0.8471000       2.017000      0.8893000     -0.3592000E-01   1.228000
  1 1 1     -11  -21   28 o    5.984000      0.6031000       6.737000 0.5051000       5.231000       1.095000       1.506000       1.206000
  1 1 1     -11  -21   29 f    4.262000      0.7427000       4.902000 0.9002000       3.621000       1.182000       1.280000       1.485000
  1 1 1     -11  -21   30 o    2.480000      0.6636000       2.187000 0.9050000       2.772000      0.9706000     -0.5853000       1.327000
  1 1 1     -11  -21   31 o    2.093000      0.6153000       2.382000 0.9166000       1.805000      0.8210000      0.5771000       1.231000
  1 1 1     -11  -20    1 o    7.476000      0.1789000       7.676000 0.2529000       7.275000      0.2529000      0.4005000      0.3577000
  1 1 1     -11  -20    2 o    5.680000      0.1996000       5.598000 0.2800000       5.762000      0.2845000     -0.1640000      0.3992000
  1 1 1     -11  -20    3 o    3.733000      0.3336000       3.616000 0.4037000       3.850000      0.5312000     -0.2333000      0.6672000
  1 1 1     -11  -20    4 o    6.913000      0.2561000       6.928000 0.3256000       6.897000      0.3954000      0.3040000E-01  0.5122000
  1 1 1     -11  -20    5 o    1.460000      0.4416000       1.510000 0.5945000       1.409000      0.6532000      0.1016000      0.8832000
  1 1 1     -11  -20    6 o    3.769000      0.3851000       3.753000 0.4427000       3.786000      0.6303000     -0.3312000E-01  0.7703000
  1 1 1     -11  -20    7 o    7.232000      0.2185000       7.168000 0.3081000       7.296000      0.3101000     -0.1281000      0.4371000
  1 1 1     -11  -20    8 o    12.16000      0.2248000       12.23000 0.3170000       12.08000      0.3187000      0.1503000      0.4495000
  1 1 1     -11  -20    9 o    7.147000      0.2275000       6.896000 0.3171000       7.399000      0.3263000     -0.5035000      0.4550000
  1 1 1     -11  -20   10 o    2.323000      0.4979000       2.557000 0.6772000       2.088000      0.7300000      0.4694000      0.9957000
  1 1 1     -11  -20   11 o    6.061000      0.2629000       5.950000 0.3649000       6.172000      0.3785000     -0.2218000      0.5258000
  1 1 1     -11  -20   12 o    6.124000      0.2836000       6.508000 0.3595000       5.739000      0.4388000      0.7687000      0.5673000
  1 1 1     -11  -20   13 o    8.567000      0.2500000       8.459000 0.3400000       8.675000      0.3665000     -0.2169000      0.4999000
  1 1 1     -11  -20   14 o    11.02000      0.2441000       11.07000 0.3458000       10.97000      0.3447000      0.9549000E-01  0.4883000
  1 1 1     -11  -20   15 o    5.402000      0.3329000       5.702000 0.4188000       5.101000      0.5176000      0.6000000      0.6658000
  1 1 1     -11  -20   16 o    8.917000      0.2555000       8.984000 0.3529000       8.851000      0.3695000      0.1329000      0.5109000
  1 1 1     -11  -20   17 o    6.588000      0.2839000       7.019000 0.3814000       6.157000      0.4207000      0.8626000      0.5678000
  1 1 1     -11  -20   18 f    3.155000      0.5429000       3.102000 0.7760000       3.207000      0.7596000     -0.1054000       1.086000
  1 1 1     -11  -20   19 o    2.287000      0.5747000       2.606000 0.8218000       1.967000      0.8036000      0.6389000       1.149000
  1 1 1     -11  -20   20 o    2.287000      0.5715000       2.439000 0.7969000       2.135000      0.8195000      0.3038000       1.143000
  1 1 1     -11  -20   21 o    4.100000      0.4624000       3.951000 0.6545000       4.249000      0.6533000     -0.2983000      0.9247000
  1 1 1     -11  -20   22 o    1.770000      0.5414000       2.070000 0.8251000       1.470000      0.7010000      0.6000000       1.083000
  1 1 1     -11  -20   23 o    2.460000      0.5782000       3.010000 0.8236000       1.910000      0.8118000       1.100000       1.156000
  1 1 1     -11  -20   24 o    9.331000      0.2990000       9.338000 0.4114000       9.323000      0.4341000      0.1525000E-01  0.5981000
  1 1 1     -11  -20   25 o    2.324000      0.6212000       1.846000 0.8093000       2.801000      0.9426000     -0.9546000       1.242000
  1 1 1     -11  -20   26 o    4.446000      0.8137000       4.403000 1.273000       4.489000       1.014000     -0.8610000E-01   1.627000
  1 1 1     -11  -20   27 o    3.522000      0.8474000       3.649000 1.303000       3.395000       1.084000      0.2538000       1.695000
  1 1 1     -11  -20   28 o    4.039000      0.5831000       3.217000 0.8972000       4.862000      0.7450000      -1.644000       1.166000
  1 1 1     -11  -20   29 o    2.218000      0.6314000       2.089000 0.8668000       2.346000      0.9183000     -0.2570000       1.263000
  1 1 1     -11  -20   30 o    3.788000      0.7781000       3.812000 1.051000       3.764000       1.148000      0.4735000E-01   1.556000
  1 1 1     -11  -20   31 f    1.549000      0.5189000       1.427000 0.6840000       1.670000      0.7805000     -0.2429000       1.038000
  1 1 1     -11  -20   32 o    2.547000      0.7534000       2.893000 1.124000       2.201000       1.003000      0.6920000       1.507000
  1 1 1     -11  -19    1 o    8.506000      0.2785000       8.960000 0.4201000       8.053000      0.3659000      0.9068000      0.5570000
  1 1 1     -11  -19    2 o    2.533000      0.5525000       2.586000 0.8554000       2.480000      0.6995000      0.1059000       1.105000
  1 1 1     -11  -19    3 o    4.873000      0.2226000       4.766000 0.3142000       4.979000      0.3154000     -0.2130000      0.4452000
  1 1 1     -11  -19    4 f    3.803000      0.2838000       3.672000 0.3857000       3.934000      0.4165000     -0.2619000      0.5677000
  1 1 1     -11  -19    5 o    4.254000      0.2639000       4.382000 0.3438000       4.127000      0.4004000      0.2552000      0.5277000
  1 1 1     -11  -19    6 o    1.447000      0.4124000       1.671000 0.6132000       1.224000      0.5516000      0.4469000      0.8248000
  1 1 1     -11  -19    8 o    6.653000      0.2951000       7.167000 0.3599000       6.139000      0.4676000       1.029000      0.5901000
  1 1 1     -11  -19    9 o    3.934000      0.4280000       3.291000 0.5799000       4.577000      0.6297000      -1.286000      0.8560000
  1 1 1     -11  -19   10 o    6.005000      0.2585000       5.782000 0.3641000       6.227000      0.3670000     -0.4448000      0.5170000
  1 1 1     -11  -19   11 o    13.10000      0.2401000       13.31000 0.3404000       12.90000      0.3386000      0.4065000      0.4801000
  1 1 1     -11  -19   12 o    5.204000      0.3093000       5.748000 0.3815000       4.660000      0.4869000       1.088000      0.6186000
  1 1 1     -11  -19   13 o    3.413000      0.4321000       3.416000 0.5883000       3.410000      0.6331000      0.6136000E-02  0.8643000
  1 1 1     -11  -19   14 o    11.40000      0.2415000       11.12000 0.3324000       11.68000      0.3505000     -0.5656000      0.4830000
  1 1 1     -11  -19   15 o    7.492000      0.2778000       7.714000 0.3785000       7.269000      0.4067000      0.4444000      0.5556000
  1 1 1     -11  -19   16 o    10.69000      0.2503000       11.19000 0.3564000       10.19000      0.3516000      0.9953000      0.5007000
  1 1 1     -11  -19   17 o    13.81000      0.2600000       13.92000 0.3711000       13.71000      0.3643000      0.2109000      0.5200000
  1 1 1     -11  -19   18 o    2.934000      0.5417000       2.949000 0.7495000       2.918000      0.7822000      0.3078000E-01   1.083000
  1 1 1     -11  -19   19 o    1.961000      0.7801000       1.961000 0.7801000                  ?              ?              ?              ?
  1 1 1     -11  -19   20 o    7.139000      0.2885000       7.059000 0.3962000       7.219000      0.4196000     -0.1602000      0.5771000
  1 1 1     -11  -19   21 o    1.952000      0.8019000                  ?       ?   1.952000      0.8019000                  ?              ?
  1 1 1     -11  -19   22 o    4.904000      0.4113000       5.434000 0.5127000       4.375000      0.6432000       1.059000      0.8225000
  1 1 1     -11  -19   23 o    5.123000      0.4107000       4.795000 0.5753000       5.451000      0.5863000     -0.6563000      0.8214000
  1 1 1     -11  -19   24 o    2.859000      0.5822000       3.500000 0.7655000       2.218000      0.8773000       1.282000       1.164000
  1 1 1     -11  -19   25 o    8.222000      0.3189000       7.524000 0.4553000       8.920000      0.4466000      -1.396000      0.6378000
  1 1 1     -11  -19   26 o    5.203000      0.4666000       5.496000 0.6041000       4.910000      0.7114000      0.5861000      0.9333000
  1 1 1     -11  -19   27 o    2.190000      0.6984000       2.177000 1.011000       2.203000      0.9640000     -0.2618000E-01   1.397000
  1 1 1     -11  -19   28 o    3.866000      0.8160000       4.743000 1.172000       2.989000       1.136000       1.754000       1.632000
  1 1 1     -11  -19   29 o    3.938000      0.6312000       4.196000 0.8172000       3.679000      0.9623000      0.5174000       1.262000
  1 1 1     -11  -19   30 o    3.250000      0.6764000       3.253000 0.9424000       3.246000      0.9706000      0.7346000E-02   1.353000
  1 1 1     -11  -19   31 o    5.408000      0.6358000       5.416000 0.7929000       5.399000      0.9942000      0.1709000E-01   1.272000
  1 1 1     -11  -19   32 o    2.785000      0.6704000       2.789000 0.9364000       2.782000      0.9596000      0.6991000E-02   1.341000
  1 1 1     -11  -18    1 o    9.490000      0.1843000       9.451000 0.2607000       9.530000      0.2606000     -0.7875000E-01  0.3686000
  1 1 1     -11  -18    2 o    5.789000      0.2028000       5.337000 0.3003000       6.241000      0.2727000     -0.9043000      0.4056000
  1 1 1     -11  -18    3 o    5.421000      0.3456000       6.162000 0.4742000       4.681000      0.5028000       1.482000      0.6911000
  1 1 1     -11  -18    4 o    3.927000      0.4345000       4.033000 0.6798000       3.821000      0.5413000      0.2118000      0.8690000
  1 1 1     -11  -18    5 o    7.143000      0.3161000       7.083000 0.4934000       7.203000      0.3951000     -0.1202000      0.6321000
  1 1 1     -11  -18    6 o    1.288000      0.3881000      0.9994000 0.4820000       1.577000      0.6085000     -0.5777000      0.7763000
  1 1 1     -11  -18    7 o    5.142000      0.2477000       5.157000 0.3428000       5.128000      0.3575000      0.2833000E-01  0.4953000
  1 1 1     -11  -18    8 o    6.464000      0.2235000       6.345000 0.3159000       6.583000      0.3163000     -0.2370000      0.4470000
  1 1 1     -11  -18    9 o    3.444000      0.4271000       3.028000 0.5408000       3.860000      0.6611000     -0.8316000      0.8541000
  1 1 1     -11  -18   10 o    6.756000      0.3208000       7.236000 0.3835000       6.275000      0.5143000      0.9612000      0.6416000
  1 1 1     -11  -18   11 o    5.686000      0.3401000       5.356000 0.4473000       6.016000      0.5126000     -0.6601000      0.6803000
  1 1 1     -11  -18   12 o    5.337000      0.2842000       5.217000 0.3915000       5.456000      0.4121000     -0.2385000      0.5684000
  1 1 1     -11  -18   13 o    5.015000      0.3162000       5.148000 0.4203000       4.881000      0.4724000      0.2662000      0.6323000
  1 1 1     -11  -18   14 o    2.454000      0.5285000       2.683000 0.7200000       2.224000      0.7738000      0.4586000       1.057000
  1 1 1     -11  -18   15 o    2.759000      0.5474000       2.679000 0.7606000       2.840000      0.7873000     -0.1612000       1.095000
  1 1 1     -11  -18   16 o    8.507000      0.2491000       8.389000 0.3531000       8.625000      0.3514000     -0.2355000      0.4981000
  1 1 1     -11  -18   17 o    8.685000      0.2496000       8.407000 0.3622000       8.963000      0.3435000     -0.5554000      0.4992000
  1 1 1     -11  -18   18 o    4.515000      0.4054000       4.615000 0.5745000       4.415000      0.5720000      0.2001000      0.8107000
  1 1 1     -11  -18   19 o    7.506000      0.3858000       7.506000 0.3858000                  ?              ?              ?              ?
  1 1 1     -11  -18   20 o    13.83000      0.2644000       14.38000 0.3772000       13.29000      0.3706000       1.086000      0.5288000
  1 1 1     -11  -18   21 o    8.831000      0.3744000                  ?       ?   8.831000      0.3744000                  ?              ?
  1 1 1     -11  -18   22 o    5.466000      0.3588000       5.388000 0.4964000       5.543000      0.5182000     -0.1550000      0.7176000
  1 1 1     -11  -18   23 o    5.360000      0.4099000       5.944000 0.5045000       4.777000      0.6461000       1.167000      0.8198000
  1 1 1     -11  -18   24 o    6.176000      0.3760000       6.611000 0.4784000       5.740000      0.5801000      0.8711000      0.7519000
  1 1 1     -11  -18   25 o    9.466000      0.2909000       9.491000 0.4011000       9.441000      0.4214000      0.5035000E-01  0.5818000
  1 1 1     -11  -18   26 o    7.376000      0.3417000       7.803000 0.4507000       6.949000      0.5137000      0.8540000      0.6833000
  1 1 1     -11  -18   27 o    4.200000      0.5599000       5.177000 0.6228000       3.222000      0.9306000       1.955000       1.120000
  1 1 1     -11  -18   28 o    4.973000      0.7392000       4.428000 1.189000       5.518000      0.8787000      -1.091000       1.478000
  1 1 1     -11  -18   29 o    3.732000      0.7962000       3.076000 1.190000       4.387000       1.058000      -1.311000       1.592000
  1 1 1     -11  -18   30 o    2.713000      0.6794000       2.971000 0.9776000       2.454000      0.9437000      0.5168000       1.359000
  1 1 1     -11  -18   31 o    4.787000      0.5044000       5.342000 0.6387000       4.232000      0.7810000       1.111000       1.009000
  1 1 1     -11  -18   32 o    2.895000      0.7766000       2.808000 1.035000       2.981000       1.158000     -0.1736000       1.553000
  1 1 1     -11  -18   33 o    8.124000      0.3480000       8.685000 0.4742000       7.563000      0.5095000       1.122000      0.6960000
  1 1 1     -11  -17    1 f    4.344000      0.2387000       4.084000 0.3563000       4.605000      0.3179000     -0.5214000      0.4775000
  1 1 1     -11  -17    2 o    4.604000      0.2199000       4.550000 0.3015000       4.659000      0.3202000     -0.1091000      0.4398000
  1 1 1     -11  -17    3 o    4.567000      0.2338000       4.710000 0.3195000       4.423000      0.3415000      0.2866000      0.4676000
  1 1 1     -11  -17    4 o    6.459000      0.2000000       6.375000 0.2768000       6.543000      0.2888000     -0.1688000      0.4000000
  1 1 1     -11  -17    5 o    5.511000      0.2281000       5.627000 0.3128000       5.395000      0.3321000      0.2322000      0.4563000
  1 1 1     -11  -17    6 o    4.698000      0.4259000       4.653000 0.6763000       4.744000      0.5179000     -0.9107000E-01  0.8519000
  1 1 1     -11  -17    7 o    2.095000      0.5640000       2.237000 0.8581000       1.953000      0.7321000      0.2843000       1.128000
  1 1 1     -11  -17    8 o    7.242000      0.3356000       7.159000 0.5306000       7.326000      0.4110000     -0.1673000      0.6712000
  1 1 1     -11  -17    9 o    5.365000      0.2552000       5.166000 0.3601000       5.564000      0.3618000     -0.3977000      0.5105000
  1 1 1     -11  -17   10 o    18.41000      0.2811000       18.72000 0.4026000       18.09000      0.3923000      0.6289000      0.5621000
  1 1 1     -11  -17   11 f    2.470000      0.4821000       2.581000 0.6619000       2.359000      0.7012000      0.2216000      0.9642000
  1 1 1     -11  -17   12 o    8.631000      0.3019000       8.712000 0.3968000       8.549000      0.4551000      0.1622000      0.6038000
  1 1 1     -11  -17   13 o    4.633000      0.4548000       4.769000 0.5085000       4.496000      0.7541000      0.2723000      0.9095000
  1 1 1     -11  -17   14 o    5.892000      0.2890000       5.868000 0.3930000       5.917000      0.4240000     -0.4957000E-01  0.5781000
  1 1 1     -11  -17   15 o    8.998000      0.2448000       9.227000 0.3324000       8.770000      0.3594000      0.4570000      0.4895000
  1 1 1     -11  -17   16 o    2.140000      0.5432000       2.092000 0.7614000       2.188000      0.7749000     -0.9573000E-01   1.086000
  1 1 1     -11  -17   17 o    5.314000      0.3168000       5.260000 0.4534000       5.368000      0.4427000     -0.1082000      0.6337000
  1 1 1     -11  -17   18 o    16.74000      0.2816000       16.96000 0.4036000       16.51000      0.3928000      0.4521000      0.5632000
  1 1 1     -11  -17   19 o    8.786000      0.2574000       8.748000 0.3639000       8.824000      0.3640000     -0.7598000E-01  0.5147000
  1 1 1     -11  -17   20 o    14.37000      0.2676000       14.26000 0.3765000       14.48000      0.3802000     -0.2150000      0.5351000
  1 1 1     -11  -17   21 o    1.897000      0.5436000       2.041000 0.7821000       1.753000      0.7553000      0.2882000       1.087000
  1 1 1     -11  -17   22 o    6.683000      0.3159000       6.673000 0.4340000       6.693000      0.4593000     -0.2085000E-01  0.6319000
  1 1 1     -11  -17   23 o    5.632000      0.3645000       5.509000 0.5215000       5.756000      0.5094000     -0.2474000      0.7290000
  1 1 1     -11  -17   24 o    6.784000      0.3400000       6.703000 0.4708000       6.865000      0.4908000     -0.1620000      0.6801000
  1 1 1     -11  -17   25 o    3.580000      0.5724000       3.406000 0.8150000       3.754000      0.8040000     -0.3484000       1.145000
  1 1 1     -11  -17   26 o    3.095000      0.6167000       2.555000 0.8854000       3.634000      0.8588000      -1.079000       1.233000
  1 1 1     -11  -17   27 o    7.608000      0.3481000       7.438000 0.4944000       7.778000      0.4902000     -0.3395000      0.6962000
  1 1 1     -11  -17   28 o    10.23000      0.3097000       10.86000 0.4194000       9.600000      0.4558000       1.257000      0.6194000
  1 1 1     -11  -17   29 o    3.077000      0.8240000       3.022000 1.188000       3.132000       1.143000     -0.1098000       1.648000
  1 1 1     -11  -17   30 o    4.308000      0.8357000       4.683000 1.210000       3.933000       1.153000      0.7505000       1.671000
  1 1 1     -11  -17   31 o    2.431000      0.6590000       2.409000 0.9434000       2.453000      0.9204000     -0.4394000E-01   1.318000
  1 1 1     -11  -17   32 o    3.652000      0.7321000       2.610000 0.9544000       4.693000       1.110000      -2.084000       1.464000
  1 1 1     -11  -17   33 o    4.132000      0.7223000       5.340000 0.9055000       2.924000       1.126000       2.416000       1.445000
  1 1 1     -11  -16    1 o    14.16000      0.2206000       14.16000 0.3126000       14.17000      0.3112000     -0.1207000E-01  0.4411000
  1 1 1     -11  -16    2 o    5.815000      0.1953000       5.994000 0.2688000       5.637000      0.2834000      0.3571000      0.3906000
  1 1 1     -11  -16    3 o    6.760000      0.1988000       6.983000 0.2820000       6.538000      0.2803000      0.4450000      0.3976000
  1 1 1     -11  -16    4 o    9.283000      0.1946000       9.150000 0.2773000       9.417000      0.2729000     -0.2679000      0.3891000
  1 1 1     -11  -16    5 o    6.329000      0.2154000       6.318000 0.3001000       6.340000      0.3090000     -0.2181000E-01  0.4308000
  1 1 1     -11  -16    6 o    12.83000      0.2201000       12.98000 0.3164000       12.68000      0.3061000      0.2926000      0.4402000
  1 1 1     -11  -16    7 o    6.711000      0.2195000       6.778000 0.3073000       6.645000      0.3134000      0.1330000      0.4389000
  1 1 1     -11  -16    8 o    9.551000      0.2092000       9.860000 0.2957000       9.242000      0.2961000      0.6177000      0.4184000
  1 1 1     -11  -16    9 f    8.054000      0.3171000       7.792000 0.4816000       8.316000      0.4127000     -0.5241000      0.6343000
  1 1 1     -11  -16   10 o    5.542000      0.3980000       4.901000 0.6489000       6.183000      0.4610000      -1.282000      0.7959000
  1 1 1     -11  -16   11 o    1.321000      0.4161000       1.191000 0.5515000       1.451000      0.6232000     -0.2601000      0.8322000
  1 1 1     -11  -16   12 o    7.180000      0.2381000       7.206000 0.3332000       7.154000      0.3401000      0.5201000E-01  0.4761000
  1 1 1     -11  -16   13 o    4.983000      0.4099000       5.371000 0.3494000       4.595000      0.7416000      0.7759000      0.8198000
  1 1 1     -11  -16   14 o    2.083000      0.5890000       1.638000 0.7100000       2.529000      0.9400000     -0.8916000       1.178000
  1 1 1     -11  -16   15 o    1.867000      0.5188000       1.440000 0.6540000       2.293000      0.8056000     -0.8527000       1.038000
  1 1 1     -11  -16   16 o    11.93000      0.2425000       12.58000 0.3439000       11.28000      0.3420000       1.296000      0.4850000
  1 1 1     -11  -16   17 o    7.341000      0.2695000       7.347000 0.3812000       7.335000      0.3810000      0.1246000E-01  0.5390000
  1 1 1     -11  -16   18 o    17.35000      0.2842000       17.04000 0.3986000       17.66000      0.4051000     -0.6127000      0.5683000
  1 1 1     -11  -16   19 o    6.328000      0.3088000       5.953000 0.4548000       6.703000      0.4177000     -0.7497000      0.6175000
  1 1 1     -11  -16   20 o    6.640000      0.2995000       6.977000 0.3978000       6.304000      0.4477000      0.6735000      0.5989000
  1 1 1     -11  -16   21 o    10.30000      0.2629000       10.32000 0.3670000       10.28000      0.3764000      0.3579000E-01  0.5257000
  1 1 1     -11  -16   22 o    7.397000      0.3013000       7.747000 0.3983000       7.048000      0.4522000      0.6991000      0.6026000
  1 1 1     -11  -16   23 o    3.484000      0.5411000       3.224000 0.7906000       3.745000      0.7390000     -0.5211000       1.082000
  1 1 1     -11  -16   24 o    9.782000      0.2708000       9.605000 0.3801000       9.959000      0.3858000     -0.3544000      0.5416000
  1 1 1     -11  -16   25 o    2.293000      0.5875000       2.664000 0.8508000       1.922000      0.8104000      0.7426000       1.175000
  1 1 1     -11  -16   26 o    8.006000      0.3145000       8.534000 0.4270000       7.479000      0.4618000       1.055000      0.6290000
  1 1 1     -11  -16   27 o    10.92000      0.2909000       11.13000 0.4065000       10.70000      0.4162000      0.4325000      0.5818000
  1 1 1     -11  -16   28 o    3.876000      0.6162000       4.095000 0.8241000       3.658000      0.9164000      0.4372000       1.232000
  1 1 1     -11  -16   29 o    6.811000      0.3971000       7.028000 0.5208000       6.594000      0.5995000      0.4345000      0.7941000
  1 1 1     -11  -16   30 o    7.623000      0.6007000       6.434000 1.012000       8.813000      0.6479000      -2.379000       1.201000
  1 1 1     -11  -16   31 o    5.514000      0.6744000       5.017000 1.081000       6.010000      0.8064000     -0.9927000       1.349000
  1 1 1     -11  -16   32 o    2.300000      0.6481000       2.087000 0.8839000       2.512000      0.9481000     -0.4256000       1.296000
  1 1 1     -11  -16   33 o    3.029000      0.7765000       2.584000 1.049000       3.473000       1.146000     -0.8897000       1.553000
  1 1 1     -11  -16   34 o    6.547000      0.5542000       7.497000 0.6546000       5.596000      0.8946000       1.901000       1.108000
  1 1 1     -11  -15    1 o    11.14000      0.1944000       11.35000 0.2769000       10.93000      0.2728000      0.4257000      0.3887000
  1 1 1     -11  -15    2 f    5.566000      0.2061000       5.649000 0.2867000       5.484000      0.2960000      0.1642000      0.4121000
  1 1 1     -11  -15    3 o    4.024000      0.2569000       3.566000 0.3876000       4.482000      0.3372000     -0.9154000      0.5137000
  1 1 1     -11  -15    4 o    13.51000      0.2192000       13.56000 0.3120000       13.45000      0.3081000      0.1174000      0.4385000
  1 1 1     -11  -15    5 o    10.15000      0.1991000       10.19000 0.2833000       10.12000      0.2798000      0.6339000E-01  0.3982000
  1 1 1     -11  -15    6 o    7.728000      0.1998000       7.891000 0.2753000       7.564000      0.2895000      0.3277000      0.3995000
  1 1 1     -11  -15    7 o    3.858000      0.3158000       3.903000 0.4182000       3.813000      0.4732000      0.9023000E-01  0.6315000
  1 1 1     -11  -15    8 o    6.894000      0.2179000       7.299000 0.2964000       6.488000      0.3196000      0.8112000      0.4359000
  1 1 1     -11  -15    9 o    8.600000      0.2128000       8.635000 0.2981000       8.565000      0.3037000      0.6986000E-01  0.4256000
  1 1 1     -11  -15   10 o    4.500000      0.3895000       4.666000 0.6452000       4.333000      0.4363000      0.3333000      0.7789000
  1 1 1     -11  -15   11 o    4.883000      0.4261000       5.737000 0.5688000       4.029000      0.6345000       1.708000      0.8521000
  1 1 1     -11  -15   12 o    4.212000      0.5093000       4.983000 0.6461000       3.441000      0.7875000       1.542000       1.019000
  1 1 1     -11  -15   13 o    4.917000      0.2956000       4.421000 0.4457000       5.413000      0.3883000     -0.9915000      0.5911000
  1 1 1     -11  -15   14 o    4.006000      0.3672000       4.093000 0.5016000       3.919000      0.5364000      0.1739000      0.7344000
  1 1 1     -11  -15   15 o    10.72000      0.3230000       11.40000 0.4343000       10.04000      0.4784000       1.354000      0.6461000
  1 1 1     -11  -15   16 o    12.50000      0.3354000       12.65000 0.4623000       12.35000      0.4859000      0.3008000      0.6707000
  1 1 1     -11  -15   17 o    5.647000      0.3042000       5.660000 0.4263000       5.633000      0.4340000      0.2775000E-01  0.6084000
  1 1 1     -11  -15   18 o    6.656000      0.2900000       6.251000 0.4209000       7.060000      0.3990000     -0.8088000      0.5799000
  1 1 1     -11  -15   19 o    6.630000      0.2837000       6.446000 0.4127000       6.813000      0.3893000     -0.3662000      0.5674000
  1 1 1     -11  -15   20 f    3.533000      0.7036000       3.533000 0.7036000                  ?              ?              ?              ?
  1 1 1     -11  -15   21 o    10.09000      0.2588000       9.887000 0.3633000       10.30000      0.3688000     -0.4125000      0.5176000
  1 1 1     -11  -15   22 o    5.848000      0.3067000       5.681000 0.3832000       6.015000      0.4790000     -0.3343000      0.6134000
  1 1 1     -11  -15   23 o    12.66000      0.2669000       12.55000 0.3777000       12.77000      0.3771000     -0.2134000      0.5338000
  1 1 1     -11  -15   24 o    14.05000      0.2728000       14.06000 0.3879000       14.05000      0.3838000      0.1020000E-01  0.5457000
  1 1 1     -11  -15   25 o    5.458000      0.3771000       5.557000 0.5252000       5.358000      0.5414000      0.1996000      0.7543000
  1 1 1     -11  -15   26 o    12.73000      0.2827000       12.86000 0.3981000       12.61000      0.4015000      0.2504000      0.5654000
  1 1 1     -11  -15   27 o    5.738000      0.4044000       5.658000 0.5794000       5.818000      0.5644000     -0.1600000      0.8088000
  1 1 1     -11  -15   28 o    5.363000      0.4511000       5.061000 0.6676000       5.666000      0.6068000     -0.6046000      0.9021000
  1 1 1     -11  -15   29 o    6.319000      0.4141000       5.832000 0.6069000       6.807000      0.5635000     -0.9750000      0.8282000
  1 1 1     -11  -15   30 o    8.284000      0.3526000       8.161000 0.4901000       8.406000      0.5072000     -0.2450000      0.7053000
  1 1 1     -11  -15   31 o    2.702000      0.7728000       3.132000 1.194000       2.272000      0.9820000      0.8601000       1.546000
  1 1 1     -11  -15   32 o    3.756000      0.6243000       2.804000 0.9836000       4.708000      0.7691000      -1.904000       1.249000
  1 1 1     -11  -15   33 o    3.910000      0.5983000       3.213000 0.9313000       4.607000      0.7514000      -1.394000       1.197000
  1 1 1     -11  -15   34 o    5.536000      0.6401000       6.649000 0.7243000       4.423000       1.056000       2.226000       1.280000
  1 1 1     -11  -14    1 o    8.566000      0.1780000       8.359000 0.2474000       8.774000      0.2560000     -0.4147000      0.3560000
  1 1 1     -11  -14    2 o    1.630000      0.3896000       2.033000 0.5627000       1.226000      0.5390000      0.8067000      0.7792000
  1 1 1     -11  -14    3 o    2.548000      0.3726000       3.038000 0.4422000       2.057000      0.6000000      0.9808000      0.7453000
  1 1 1     -11  -14    4 o    8.648000      0.1904000       8.558000 0.2682000       8.739000      0.2702000     -0.1809000      0.3807000
  1 1 1     -11  -14    5 o    14.86000      0.2343000       14.70000 0.3288000       15.02000      0.3339000     -0.3176000      0.4686000
  1 1 1     -11  -14    6 o    4.360000      0.2658000       4.409000 0.3591000       4.310000      0.3918000      0.9828000E-01  0.5315000
  1 1 1     -11  -14    7 o    4.896000      0.2576000       5.298000 0.3238000       4.495000      0.4007000      0.8024000      0.5152000
  1 1 1     -11  -14    8 o    7.340000      0.2052000       7.327000 0.2898000       7.353000      0.2907000     -0.2610000E-01  0.4105000
  1 1 1     -11  -14    9 o    6.877000      0.2251000       7.041000 0.3201000       6.713000      0.3166000      0.3284000      0.4502000
  1 1 1     -11  -14   10 o    5.720000      0.2526000       5.594000 0.3533000       5.846000      0.3610000     -0.2519000      0.5051000
  1 1 1     -11  -14   11 o    7.011000      0.2363000       6.848000 0.3387000       7.175000      0.3295000     -0.3265000      0.4725000
  1 1 1     -11  -14   12 o    5.931000      0.3854000       6.073000 0.5973000       5.788000      0.4873000      0.2850000      0.7709000
  1 1 1     -11  -14   13 o    3.810000      0.5363000       3.588000 0.8267000       4.032000      0.6835000     -0.4445000       1.073000
  1 1 1     -11  -14   14 o    10.16000      0.2289000       10.26000 0.3245000       10.05000      0.3230000      0.2122000      0.4578000
  1 1 1     -11  -14   15 o    13.18000      0.2445000       12.99000 0.3434000       13.37000      0.3482000     -0.3808000      0.4891000
  1 1 1     -11  -14   16 o    3.645000      0.5296000       4.239000 0.5871000       3.051000      0.8815000       1.187000       1.059000
  1 1 1     -11  -14   17 o    4.913000      0.4599000       4.819000 0.5770000       5.007000      0.7163000     -0.1875000      0.9198000
  1 1 1     -11  -14   18 o    4.397000      0.3992000       4.760000 0.5229000       4.033000      0.6033000      0.7270000      0.7984000
  1 1 1     -11  -14   19 o    5.703000      0.3217000       5.611000 0.4520000       5.796000      0.4580000     -0.1857000      0.6435000
  1 1 1     -11  -14   20 o    5.356000      0.4808000       5.356000 0.4808000                  ?              ?              ?              ?
  1 1 1     -11  -14   21 o    6.897000      0.2985000       7.158000 0.4119000       6.635000      0.4320000      0.5228000      0.5969000
  1 1 1     -11  -14   22 o    7.056000      0.4204000                  ?       ?   7.056000      0.4204000                  ?              ?
  1 1 1     -11  -14   23 o    7.740000      0.2891000       7.831000 0.4166000       7.649000      0.4010000      0.1822000      0.5782000
  1 1 1     -11  -14   24 o    4.350000      0.4622000       4.694000 0.6200000       4.006000      0.6856000      0.6878000      0.9244000
  1 1 1     -11  -14   25 o    3.050000      0.6912000       2.779000 1.122000       3.320000      0.8077000     -0.5414000       1.382000
  1 1 1     -11  -14   26 o    4.718000      0.4820000       4.181000 0.7532000       5.256000      0.6018000      -1.075000      0.9641000
  1 1 1     -11  -14   27 o    5.664000      0.4111000       6.108000 0.5384000       5.220000      0.6214000      0.8875000      0.8222000
  1 1 1     -11  -14   28 o    7.191000      0.3677000       6.975000 0.5414000       7.408000      0.4976000     -0.4329000      0.7354000
  1 1 1     -11  -14   29 o    7.836000      0.3577000       7.574000 0.5153000       8.098000      0.4963000     -0.5247000      0.7155000
  1 1 1     -11  -14   30 o    5.454000      0.4744000       5.474000 0.6684000       5.433000      0.6734000      0.4044000E-01  0.9488000
  1 1 1     -11  -14   31 o    4.815000      0.7277000       5.300000 1.056000       4.329000       1.002000      0.9706000       1.455000
  1 1 1     -11  -14   32 o    3.055000      0.7970000       3.656000 1.226000       2.454000       1.018000       1.202000       1.594000
  1 1 1     -11  -14   33 o    2.380000      0.6279000       2.012000 0.8603000       2.747000      0.9147000     -0.7349000       1.256000
  1 1 1     -11  -14   34 o    2.446000      0.6208000       2.642000 0.8987000       2.249000      0.8568000      0.3925000       1.242000
  1 1 1     -11  -13    1 o    14.84000      0.2263000       14.97000 0.3226000       14.72000      0.3175000      0.2543000      0.4527000
  1 1 1     -11  -13    2 o    11.88000      0.2019000       12.04000 0.2872000       11.72000      0.2837000      0.3248000      0.4038000
  1 1 1     -11  -13    3 o    6.138000      0.1985000       6.430000 0.2724000       5.846000      0.2888000      0.5834000      0.3970000
  1 1 1     -11  -13    4 o    22.32000      0.3176000       22.46000 0.4511000       22.18000      0.4471000      0.2853000      0.6352000
  1 1 1     -11  -13    5 o    15.80000      0.2426000       15.69000 0.3410000       15.91000      0.3453000     -0.2170000      0.4853000
  1 1 1     -11  -13    6 o    15.39000      0.2415000       14.81000 0.3347000       15.98000      0.3483000      -1.167000      0.4831000
  1 1 1     -11  -13    7 o    10.07000      0.2018000       10.23000 0.2847000       9.914000      0.2860000      0.3204000      0.4035000
  1 1 1     -11  -13    8 o    5.950000      0.2266000       6.080000 0.3063000       5.821000      0.3339000      0.2590000      0.4531000
  1 1 1     -11  -13    9 o    4.506000      0.2709000       4.644000 0.3598000       4.368000      0.4051000      0.2767000      0.5418000
  1 1 1     -11  -13   10 o    10.39000      0.2114000       10.42000 0.2996000       10.36000      0.2984000      0.6126000E-01  0.4228000
  1 1 1     -11  -13   11 o    11.42000      0.2193000       11.67000 0.3107000       11.16000      0.3095000      0.5110000      0.4386000
  1 1 1     -11  -13   12 o    2.910000      0.4327000       3.056000 0.5732000       2.765000      0.6482000      0.2912000      0.8653000
  1 1 1     -11  -13   13 o    3.434000      0.6079000       3.312000 0.9248000       3.557000      0.7891000     -0.2442000       1.216000
  1 1 1     -11  -13   14 o    14.86000      0.3631000       15.61000 0.5418000       14.11000      0.4836000       1.498000      0.7262000
  1 1 1     -11  -13   15 o    7.668000      0.2455000       7.665000 0.3426000       7.671000      0.3517000     -0.5793000E-02  0.4910000
  1 1 1     -11  -13   16 o    5.955000      0.2683000       6.065000 0.3765000       5.846000      0.3823000      0.2188000      0.5366000
  1 1 1     -11  -13   17 o    9.614000      0.3324000       9.367000 0.4455000       9.861000      0.4934000     -0.4943000      0.6648000
  1 1 1     -11  -13   18 o    4.605000      0.5032000       5.293000 0.5541000       3.916000      0.8402000       1.376000       1.006000
  1 1 1     -11  -13   19 o    9.429000      0.2469000       9.536000 0.3527000       9.321000      0.3457000      0.2154000      0.4938000
  1 1 1     -11  -13   20 o    1.434000      0.4648000       1.569000 0.6965000       1.300000      0.6158000      0.2696000      0.9297000
  1 1 1     -11  -13   21 o    3.221000      0.5395000       3.154000 0.7636000       3.287000      0.7625000     -0.1329000       1.079000
  1 1 1     -11  -13   22 f    12.60000      0.3272000       11.94000 0.5379000       13.26000      0.3727000      -1.322000      0.6544000
  1 1 1     -11  -13   23 o    7.669000      0.2914000       7.762000 0.4131000       7.576000      0.4111000      0.1860000      0.5828000
  1 1 1     -11  -13   24 o    9.643000      0.2777000       9.824000 0.3942000       9.463000      0.3912000      0.3615000      0.5554000
  1 1 1     -11  -13   25 o    2.825000      0.6078000       2.901000 0.8467000       2.748000      0.8723000      0.1527000       1.216000
  1 1 1     -11  -13   26 o    2.778000      0.6324000       2.876000 0.8807000       2.679000      0.9077000      0.1970000       1.265000
  1 1 1     -11  -13   27 o    8.279000      0.3159000       7.872000 0.4616000       8.686000      0.4314000     -0.8130000      0.6318000
  1 1 1     -11  -13   28 o    4.002000      0.5714000       4.616000 0.6928000       3.388000      0.9090000       1.228000       1.143000
  1 1 1     -11  -13   29 o    3.214000      0.6127000       3.922000 0.8064000       2.505000      0.9227000       1.417000       1.225000
  1 1 1     -11  -13   30 o    2.690000      0.6691000       2.914000 0.9454000       2.465000      0.9470000      0.4495000       1.338000
  1 1 1     -11  -13   31 o    7.450000      0.3730000       8.099000 0.4874000       6.801000      0.5648000       1.298000      0.7460000
  1 1 1     -11  -13   32 o    2.734000      0.7825000       2.693000 1.139000       2.775000       1.073000     -0.8244000E-01   1.565000
  1 1 1     -11  -13   33 o    2.781000      0.6776000       2.922000 0.9844000       2.641000      0.9313000      0.2812000       1.355000
  1 1 1     -11  -13   34 o    3.811000      0.6070000       3.664000 0.8995000       3.957000      0.8154000     -0.2924000       1.214000
  1 1 1     -11  -13   35 o    3.219000      0.7303000       2.343000 0.9905000       4.096000       1.073000      -1.753000       1.461000
  1 1 1     -11  -12    1 o    16.19000      0.2407000       16.34000 0.3427000       16.03000      0.3381000      0.3088000      0.4814000
  1 1 1     -11  -12    2 f    24.69000      0.3441000       24.42000 0.4821000       24.97000      0.4911000     -0.5541000      0.6881000
  1 1 1     -11  -12    3 o    6.973000      0.1865000       7.094000 0.2583000       6.852000      0.2690000      0.2420000      0.3729000
  1 1 1     -11  -12    4 f    12.26000      0.2078000       12.51000 0.2957000       12.00000      0.2919000      0.5116000      0.4155000
  1 1 1     -11  -12    5 o    10.08000      0.1978000       10.16000 0.2809000       9.995000      0.2787000      0.1633000      0.3957000
  1 1 1     -11  -12    6 o    19.49000      0.2851000       20.28000 0.4166000       18.69000      0.3892000       1.586000      0.5701000
  1 1 1     -11  -12    7 o    7.565000      0.1998000       7.276000 0.2813000       7.854000      0.2837000     -0.5778000      0.3995000
  1 1 1     -11  -12    8 o    8.079000      0.2093000       8.387000 0.2913000       7.770000      0.3007000      0.6168000      0.4187000
  1 1 1     -11  -12    9 o    13.70000      0.2296000       14.08000 0.3293000       13.32000      0.3201000      0.7591000      0.4592000
  1 1 1     -11  -12   10 o    3.411000      0.3697000       3.331000 0.5272000       3.491000      0.5185000     -0.1596000      0.7394000
  1 1 1     -11  -12   11 o    10.99000      0.2170000       11.16000 0.3074000       10.81000      0.3064000      0.3537000      0.4340000
  1 1 1     -11  -12   12 o    9.842000      0.2205000       9.847000 0.3094000       9.837000      0.3141000      0.1027000E-01  0.4409000
  1 1 1     -11  -12   13 f    2.899000      0.4664000       2.767000 0.6733000       3.032000      0.6455000     -0.2650000      0.9327000
  1 1 1     -11  -12   14 f    11.15000      0.3251000       10.89000 0.4692000       11.41000      0.4502000     -0.5120000      0.6503000
  1 1 1     -11  -12   15 o    3.319000      0.6072000       4.073000 0.8438000       2.565000      0.8732000       1.509000       1.214000
  1 1 1     -11  -12   16 o    8.667000      0.2410000       8.393000 0.3409000       8.940000      0.3408000     -0.5469000      0.4820000
  1 1 1     -11  -12   17 o    8.791000      0.2461000       9.258000 0.3454000       8.324000      0.3506000      0.9337000      0.4922000
  1 1 1     -11  -12   18 f    2.965000      0.6079000       2.472000 0.8524000       3.458000      0.8669000     -0.9859000       1.216000
  1 1 1     -11  -12   19 o    12.70000      0.2566000       12.93000 0.3696000       12.47000      0.3560000      0.4608000      0.5132000
  1 1 1     -11  -12   20 o    7.001000      0.2866000       7.014000 0.4064000       6.987000      0.4042000      0.2729000E-01  0.5731000
  1 1 1     -11  -12   21 o    5.538000      0.3453000       5.296000 0.5124000       5.780000      0.4629000     -0.4847000      0.6906000
  1 1 1     -11  -12   22 o    13.50000      0.2645000       13.13000 0.3739000       13.88000      0.3743000     -0.7525000      0.5291000
  1 1 1     -11  -12   23 o    7.977000      0.2943000       8.151000 0.4122000       7.804000      0.4201000      0.3466000      0.5886000
  1 1 1     -11  -12   24 o    7.895000      0.2881000       7.583000 0.4098000       8.206000      0.4052000     -0.6226000      0.5763000
  1 1 1     -11  -12   25 o    5.852000      0.3499000       5.440000 0.5262000       6.264000      0.4615000     -0.8240000      0.6999000
  1 1 1     -11  -12   26 o    4.030000      0.5251000       3.675000 0.7749000       4.385000      0.7088000     -0.7102000       1.050000
  1 1 1     -11  -12   27 o    4.168000      0.5146000       4.065000 0.7471000       4.271000      0.7077000     -0.2061000       1.029000
  1 1 1     -11  -12   28 o    3.132000      0.6144000       2.481000 0.9077000       3.782000      0.8282000      -1.301000       1.229000
  1 1 1     -11  -12   29 o    3.298000      0.6236000       3.321000 0.8972000       3.274000      0.8664000      0.4675000E-01   1.247000
  1 1 1     -11  -12   30 o    4.658000      0.5297000       5.373000 0.6240000       3.942000      0.8562000       1.431000       1.059000
  1 1 1     -11  -12   31 o    7.093000      0.3855000       6.799000 0.5570000       7.387000      0.5331000     -0.5877000      0.7710000
  1 1 1     -11  -12   32 f    3.769000      0.7923000       3.769000 1.165000       3.769000       1.074000      0.6149000E-03   1.585000
  1 1 1     -11  -12   33 o    3.244000      0.8190000       3.297000 1.206000       3.191000       1.108000      0.1061000       1.638000
  1 1 1     -11  -12   34 o    4.757000      0.5066000       5.640000 0.5999000       3.875000      0.8165000       1.765000       1.013000
  1 1 1     -11  -12   35 o    1.816000      0.6001000       1.510000 0.7434000       2.123000      0.9422000     -0.6131000       1.200000
  1 1 1     -11  -11    1 o    15.56000      0.2340000       15.35000 0.3268000       15.76000      0.3351000     -0.4047000      0.4681000
  1 1 1     -11  -11    2 o    14.37000      0.2224000       14.27000 0.3136000       14.47000      0.3155000     -0.1960000      0.4448000
  1 1 1     -11  -11    3 f    2.240000      0.3992000       2.250000 0.5694000       2.231000      0.5598000      0.1957000E-01  0.7985000
  1 1 1     -11  -11    4 o    6.886000      0.1867000       7.034000 0.2575000       6.739000      0.2705000      0.2948000      0.3735000
  1 1 1     -11  -11    5 o    12.99000      0.2155000       13.00000 0.3061000       12.99000      0.3034000      0.1450000E-01  0.4310000
  1 1 1     -11  -11    6 o    15.72000      0.2983000       15.61000 0.3418000       15.84000      0.4890000     -0.2281000      0.5967000
  1 1 1     -11  -11    7 o    11.22000      0.2049000       11.48000 0.2916000       10.96000      0.2881000      0.5172000      0.4099000
  1 1 1     -11  -11    8 o    11.32000      0.2091000       11.35000 0.2971000       11.28000      0.2943000      0.6366000E-01  0.4182000
  1 1 1     -11  -11    9 o    19.66000      0.2897000       19.32000 0.4045000       20.01000      0.4150000     -0.6850000      0.5795000
  1 1 1     -11  -11   10 o    9.153000      0.2076000       8.969000 0.2898000       9.337000      0.2973000     -0.3670000      0.4152000
  1 1 1     -11  -11   11 o    8.872000      0.2130000       9.069000 0.2964000       8.675000      0.3058000      0.3931000      0.4259000
  1 1 1     -11  -11   12 o    12.95000      0.2319000       13.00000 0.3292000       12.90000      0.3267000      0.9768000E-01  0.4638000
  1 1 1     -11  -11   13 o    3.389000      0.3809000       3.141000 0.5560000       3.638000      0.5209000     -0.4976000      0.7619000
  1 1 1     -11  -11   14 o    11.92000      0.2290000       11.74000 0.3225000       12.09000      0.3253000     -0.3410000      0.4581000
  1 1 1     -11  -11   15 o    8.539000      0.3459000       9.201000 0.5009000       7.878000      0.4772000       1.323000      0.6919000
  1 1 1     -11  -11   16 o    14.14000      0.3579000       14.60000 0.5223000       13.68000      0.4893000      0.9180000      0.7157000
  1 1 1     -11  -11   17 o    4.425000      0.3649000       4.192000 0.5352000       4.659000      0.4963000     -0.4667000      0.7299000
  1 1 1     -11  -11   18 o    2.549000      0.5016000       2.674000 0.7155000       2.425000      0.7031000      0.2495000       1.003000
  1 1 1     -11  -11   19 o    5.139000      0.4589000       5.088000 0.5930000       5.190000      0.7007000     -0.1024000      0.9179000
  1 1 1     -11  -11   20 f    7.125000      0.2818000       7.540000 0.3843000       6.710000      0.4122000      0.8300000      0.5635000
  1 1 1     -11  -11   21 o    10.97000      0.2524000       10.86000 0.3620000       11.08000      0.3517000     -0.2213000      0.5047000
  1 1 1     -11  -11   22 o    3.611000      0.4831000       3.097000 0.7528000       4.124000      0.6056000      -1.027000      0.9661000
  1 1 1     -11  -11   23 o    8.550000      0.2843000       7.970000 0.4216000       9.129000      0.3816000      -1.158000      0.5686000
  1 1 1     -11  -11   24 o    17.34000      0.2940000       17.63000 0.4216000       17.05000      0.4099000      0.5714000      0.5880000
  1 1 1     -11  -11   25 o    4.231000      0.4345000       4.353000 0.5957000       4.109000      0.6327000      0.2442000      0.8690000
  1 1 1     -11  -11   26 o    4.661000      0.4310000       4.161000 0.6672000       5.160000      0.5458000     -0.9988000      0.8620000
  1 1 1     -11  -11   27 o    3.120000      0.5581000       2.152000 0.8312000       4.089000      0.7449000      -1.937000       1.116000
  1 1 1     -11  -11   28 o    4.042000      0.5531000       3.662000 0.8118000       4.422000      0.7513000     -0.7597000       1.106000
  1 1 1     -11  -11   29 o    2.432000      0.6356000       2.135000 0.8787000       2.728000      0.9186000     -0.5927000       1.271000
  1 1 1     -11  -11   30 o    4.447000      0.5295000       4.536000 0.7248000       4.358000      0.7722000      0.1780000       1.059000
  1 1 1     -11  -11   31 o    4.138000      0.5708000       4.150000 0.7923000       4.126000      0.8218000      0.2412000E-01   1.142000
  1 1 1     -11  -11   32 o    3.120000      0.6661000       2.788000 0.9600000       3.451000      0.9237000     -0.6632000       1.332000
  1 1 1     -11  -11   33 o    2.934000      0.8007000       2.870000 1.156000       2.997000       1.109000     -0.1270000       1.601000
  1 1 1     -11  -11   34 o    5.332000      0.4542000       5.398000 0.6598000       5.267000      0.6246000      0.1307000      0.9085000
  1 1 1     -11  -11   35 o    1.791000      0.5698000       1.757000 0.7978000       1.825000      0.8139000     -0.6815000E-01   1.140000
  1 1 1     -11  -10    1 o    8.006000      0.1752000       8.046000 0.2470000       7.966000      0.2485000      0.8020000E-01  0.3504000
  1 1 1     -11  -10    2 o    18.89000      0.2726000       18.82000 0.3840000       18.96000      0.3870000     -0.1374000      0.5452000
  1 1 1     -11  -10    3 o    17.87000      0.2624000       17.99000 0.3733000       17.74000      0.3689000      0.2463000      0.5248000
  1 1 1     -11  -10    4 o    7.810000      0.1835000       7.683000 0.2567000       7.938000      0.2623000     -0.2556000      0.3670000
  1 1 1     -11  -10    5 o    6.501000      0.1937000       6.536000 0.2750000       6.467000      0.2728000      0.6893000E-01  0.3874000
  1 1 1     -11  -10    6 o    4.994000      0.2340000       4.809000 0.3427000       5.178000      0.3187000     -0.3688000      0.4680000
  1 1 1     -11  -10    7 f    12.92000      0.2171000       12.99000 0.3081000       12.85000      0.3060000      0.1419000      0.4342000
  1 1 1     -11  -10    8 o    11.17000      0.2061000       11.04000 0.2897000       11.30000      0.2932000     -0.2639000      0.4122000
  1 1 1     -11  -10    9 o    16.34000      0.2524000       16.59000 0.3603000       16.09000      0.3535000      0.5055000      0.5048000
  1 1 1     -11  -10   10 o    16.49000      0.2561000       16.91000 0.3680000       16.07000      0.3564000      0.8374000      0.5123000
  1 1 1     -11  -10   11 f    10.67000      0.2123000       10.84000 0.3005000       10.50000      0.3000000      0.3462000      0.4247000
  1 1 1     -11  -10   12 o    7.068000      0.2254000       6.904000 0.3183000       7.231000      0.3193000     -0.3268000      0.4508000
  1 1 1     -11  -10   13 o    11.84000      0.2229000       11.61000 0.3148000       12.07000      0.3157000     -0.4594000      0.4458000
  1 1 1     -11  -10   14 o    4.183000      0.3529000       4.547000 0.4415000       3.820000      0.5508000      0.7273000      0.7059000
  1 1 1     -11  -10   15 o    10.06000      0.2262000       9.931000 0.3180000       10.19000      0.3218000     -0.2602000      0.4525000
  1 1 1     -11  -10   16 o    4.420000      0.5093000       4.250000 0.7920000       4.590000      0.6406000     -0.3402000       1.019000
  1 1 1     -11  -10   17 o    6.726000      0.2629000       6.923000 0.3603000       6.530000      0.3830000      0.3924000      0.5258000
  1 1 1     -11  -10   18 o    3.445000      0.4247000       3.827000 0.5401000       3.063000      0.6556000      0.7642000      0.8495000
  1 1 1     -11  -10   19 o    5.684000      0.4261000       5.779000 0.5371000       5.588000      0.6618000      0.1917000      0.8523000
  1 1 1     -11  -10   20 o    4.899000      0.5088000       5.233000 0.6130000       4.564000      0.8123000      0.6689000       1.018000
  1 1 1     -11  -10   21 o    5.820000      0.4430000       5.820000 0.4430000                  ?              ?              ?              ?
  1 1 1     -11  -10   22 o    4.616000      0.3918000       4.343000 0.5829000       4.889000      0.5236000     -0.5467000      0.7835000
  1 1 1     -11  -10   23 o    5.932000      0.4670000                  ?       ?   5.932000      0.4670000                  ?              ?
  1 1 1     -11  -10   24 o    2.070000      0.5551000       1.749000 0.7443000       2.391000      0.8239000     -0.6425000       1.110000
  1 1 1     -11  -10   25 o    6.634000      0.3179000       6.790000 0.4390000       6.479000      0.4598000      0.3110000      0.6357000
  1 1 1     -11  -10   26 o    9.969000      0.2768000       10.31000 0.3884000       9.629000      0.3945000      0.6806000      0.5536000
  1 1 1     -11  -10   27 o    5.864000      0.3595000       5.677000 0.5145000       6.051000      0.5024000     -0.3733000      0.7191000
  1 1 1     -11  -10   28 o    5.516000      0.4126000       5.263000 0.5889000       5.770000      0.5780000     -0.5069000      0.8252000
  1 1 1     -11  -10   29 o    4.356000      0.5389000       3.566000 0.8819000       5.146000      0.6196000      -1.580000       1.078000
  1 1 1     -11  -10   30 o    5.907000      0.4289000       5.137000 0.6744000       6.677000      0.5301000      -1.540000      0.8578000
  1 1 1     -11  -10   31 o    3.691000      0.6101000       4.534000 0.7573000       2.849000      0.9567000       1.686000       1.220000
  1 1 1     -11  -10   32 o    3.754000      0.6401000       4.126000 0.8278000       3.381000      0.9765000      0.7451000       1.280000
  1 1 1     -11  -10   33 o    3.408000      0.7866000       4.191000 1.182000       2.625000       1.038000       1.566000       1.573000
  1 1 1     -11  -10   34 o    1.960000      0.5991000       1.980000 0.8586000       1.941000      0.8358000      0.3898000E-01   1.198000
  1 1 1     -11  -10   35 o    2.304000      0.6368000       2.272000 0.9018000       2.335000      0.8993000     -0.6258000E-01   1.274000
  1 1 1     -11   -9    1 o    11.34000      0.2682000       11.95000 0.3834000       10.74000      0.3752000       1.207000      0.5365000
  1 1 1     -11   -9    2 o    22.48000      0.3159000       22.38000 0.4448000       22.59000      0.4487000     -0.2129000      0.6318000
  1 1 1     -11   -9    3 o    16.32000      0.2441000       16.63000 0.3497000       16.01000      0.3406000      0.6122000      0.4881000
  1 1 1     -11   -9    4 o    10.48000      0.1908000       10.55000 0.2696000       10.40000      0.2700000      0.1519000      0.3816000
  1 1 1     -11   -9    5 o    11.05000      0.1967000       11.31000 0.2808000       10.78000      0.2756000      0.5382000      0.3935000
  1 1 1     -11   -9    6 o    5.660000      0.2061000       5.433000 0.2963000       5.887000      0.2865000     -0.4532000      0.4122000
  1 1 1     -11   -9    7 o    7.519000      0.2433000       7.770000 0.2744000       7.268000      0.4019000      0.5015000      0.4866000
  1 1 1     -11   -9    8 o    19.41000      0.2844000       18.95000 0.3947000       19.86000      0.4097000     -0.9029000      0.5689000
  1 1 1     -11   -9    9 o    4.432000      0.2454000       4.542000 0.3365000       4.321000      0.3573000      0.2211000      0.4908000
  1 1 1     -11   -9   10 o    12.53000      0.2205000       12.57000 0.3145000       12.49000      0.3093000      0.8512000E-01  0.4411000
  1 1 1     -11   -9   11 o    9.424000      0.2075000       9.347000 0.2911000       9.500000      0.2958000     -0.1523000      0.4151000
  1 1 1     -11   -9   12 o    8.215000      0.2120000       7.729000 0.3020000       8.700000      0.2975000     -0.9709000      0.4239000
  1 1 1     -11   -9   13 o    9.535000      0.2177000       9.924000 0.3072000       9.145000      0.3087000      0.7788000      0.4355000
  1 1 1     -11   -9   14 o    7.454000      0.2348000       7.789000 0.3233000       7.118000      0.3404000      0.6703000      0.4695000
  1 1 1     -11   -9   15 o    1.854000      0.4925000       1.667000 0.6767000       2.042000      0.7158000     -0.3753000      0.9850000
  1 1 1     -11   -9   16 f    1.767000      0.5352000       1.429000 0.6875000       2.105000      0.8205000     -0.6753000       1.070000
  1 1 1     -11   -9   17 o    6.802000      0.3677000       6.446000 0.5618000       7.158000      0.4745000     -0.7116000      0.7354000
  1 1 1     -11   -9   18 o    4.957000      0.3187000       4.925000 0.4380000       4.989000      0.4631000     -0.6394000E-01  0.6374000
  1 1 1     -11   -9   19 o    4.655000      0.4695000       4.569000 0.6150000       4.741000      0.7095000     -0.1728000      0.9390000
  1 1 1     -11   -9   20 o    3.393000      0.6281000       3.700000 0.7800000       3.087000      0.9847000      0.6135000       1.256000
  1 1 1     -11   -9   21 o    4.200000      0.4558000       4.922000 0.4890000       3.479000      0.7694000       1.443000      0.9116000
  1 1 1     -11   -9   22 o    5.571000      0.3416000       5.471000 0.4844000       5.671000      0.4818000     -0.1996000      0.6832000
  1 1 1     -11   -9   23 o    5.176000      0.5006000                  ?       ?   5.176000      0.5006000                  ?              ?
  1 1 1     -11   -9   24 o    4.994000      0.3805000       5.131000 0.5270000       4.857000      0.5491000      0.2738000      0.7611000
  1 1 1     -11   -9   25 o    5.947000      0.3414000       5.622000 0.5001000       6.272000      0.4651000     -0.6497000      0.6829000
  1 1 1     -11   -9   26 o    9.374000      0.2778000       9.285000 0.3987000       9.464000      0.3869000     -0.1782000      0.5555000
  1 1 1     -11   -9   27 o    8.525000      0.2908000       8.191000 0.4185000       8.858000      0.4038000     -0.6679000      0.5815000
  1 1 1     -11   -9   28 o    3.154000      0.5907000       3.786000 0.7645000       2.522000      0.9008000       1.264000       1.181000
  1 1 1     -11   -9   29 o    2.460000      0.6344000       2.745000 0.9113000       2.175000      0.8827000      0.5698000       1.269000
  1 1 1     -11   -9   30 o    5.453000      0.4665000       6.397000 0.5476000       4.510000      0.7554000       1.887000      0.9330000
  1 1 1     -11   -9   31 f    2.558000      0.6302000       1.861000 0.8293000       3.255000      0.9492000      -1.394000       1.260000
  1 1 1     -11   -9   32 o    4.734000      0.5238000       4.966000 0.7018000       4.502000      0.7777000      0.4640000       1.048000
  1 1 1     -11   -9   33 o    4.211000      0.7717000       3.882000 1.193000       4.540000      0.9790000     -0.6576000       1.543000
  1 1 1     -11   -9   34 o    3.144000      0.6837000       3.248000 0.9579000       3.039000      0.9758000      0.2084000       1.367000
  1 1 1     -11   -9   35 o    3.652000      0.5955000       2.723000 0.9553000       4.581000      0.7114000      -1.858000       1.191000
  1 1 1     -11   -9   36 o    2.874000      0.7675000       3.060000 1.104000       2.688000       1.066000      0.3721000       1.535000
  1 1 1     -11   -8    1 o    18.90000      0.3319000       18.79000 0.3801000       19.01000      0.5443000     -0.2188000      0.6639000
  1 1 1     -11   -8    2 o    24.97000      0.4889000       25.02000 0.6918000       24.91000      0.6910000      0.1101000      0.9778000
  1 1 1     -11   -8    3 o    18.13000      0.2635000       18.10000 0.3727000       18.16000      0.3727000     -0.6759000E-01  0.5271000
  1 1 1     -11   -8    4 o    13.25000      0.2118000       13.42000 0.3023000       13.07000      0.2966000      0.3500000      0.4235000
  1 1 1     -11   -8    5 o    10.01000      0.1879000       10.11000 0.2655000       9.915000      0.2659000      0.1937000      0.3758000
  1 1 1     -11   -8    6 o    9.507000      0.1893000       9.710000 0.2663000       9.305000      0.2691000      0.4048000      0.3785000
  1 1 1     -11   -8    7 o    8.450000      0.1903000       8.449000 0.2727000       8.450000      0.2655000     -0.3052000E-03  0.3806000
  1 1 1     -11   -8    8 o    17.48000      0.2621000       17.58000 0.3724000       17.37000      0.3690000      0.2083000      0.5243000
  1 1 1     -11   -8    9 o    16.65000      0.2547000       16.62000 0.3595000       16.68000      0.3610000     -0.5238000E-01  0.5095000
  1 1 1     -11   -8   10 o    10.87000      0.2061000       11.32000 0.2946000       10.42000      0.2884000      0.9041000      0.4122000
  1 1 1     -11   -8   11 o    6.013000      0.2294000       5.973000 0.3199000       6.054000      0.3288000     -0.8158000E-01  0.4587000
  1 1 1     -11   -8   12 o    16.19000      0.3120000       16.82000 0.3684000       15.57000      0.5035000       1.245000      0.6239000
  1 1 1     -11   -8   13 o    10.57000      0.2166000       10.77000 0.3057000       10.36000      0.3070000      0.4077000      0.4332000
  1 1 1     -11   -8   14 f    17.19000      0.2693000       17.06000 0.3789000       17.33000      0.3829000     -0.2708000      0.5386000
  1 1 1     -11   -8   15 o    2.289000      0.4786000       2.665000 0.6618000       1.913000      0.6914000      0.7517000      0.9571000
  1 1 1     -11   -8   16 o    3.900000      0.5559000       3.601000 0.8514000       4.200000      0.7151000     -0.5987000       1.112000
  1 1 1     -11   -8   17 f    3.642000      0.5673000       4.261000 0.7476000       3.023000      0.8534000       1.238000       1.135000
  1 1 1     -11   -8   18 o    2.694000      0.5018000       2.374000 0.7462000       3.013000      0.6713000     -0.6391000       1.004000
  1 1 1     -11   -8   19 o    2.983000      0.4946000       3.426000 0.6307000       2.540000      0.7620000      0.8859000      0.9891000
  1 1 1     -11   -8   20 o    4.776000      0.5175000       5.236000 0.6049000       4.317000      0.8399000      0.9188000       1.035000
  1 1 1     -11   -8   21 o    6.403000      0.2899000       6.490000 0.4026000       6.315000      0.4172000      0.1741000      0.5798000
  1 1 1     -11   -8   22 o    1.991000      0.5522000       1.933000 0.7767000       2.050000      0.7851000     -0.1171000       1.104000
  1 1 1     -11   -8   23 o    5.486000      0.3612000       5.995000 0.4735000       4.977000      0.5456000       1.018000      0.7225000
  1 1 1     -11   -8   24 o    4.621000      0.3960000       4.872000 0.5521000       4.370000      0.5678000      0.5019000      0.7920000
  1 1 1     -11   -8   25 o    8.999000      0.2766000       8.989000 0.3968000       9.010000      0.3854000     -0.2148000E-01  0.5531000
  1 1 1     -11   -8   26 o    12.95000      0.2698000       13.43000 0.3843000       12.48000      0.3789000      0.9436000      0.5397000
  1 1 1     -11   -8   27 o    18.48000      0.3078000       18.81000 0.4396000       18.16000      0.4310000      0.6553000      0.6156000
  1 1 1     -11   -8   28 o    4.747000      0.4535000       4.671000 0.6472000       4.823000      0.6354000     -0.1522000      0.9070000
  1 1 1     -11   -8   29 o    4.071000      0.5481000       3.600000 0.8426000       4.542000      0.7013000     -0.9411000       1.096000
  1 1 1     -11   -8   30 o    6.929000      0.3594000       6.731000 0.5312000       7.127000      0.4844000     -0.3951000      0.7189000
  1 1 1     -11   -8   31 o    6.353000      0.4009000       6.043000 0.5930000       6.663000      0.5397000     -0.6196000      0.8018000
  1 1 1     -11   -8   32 o    3.356000      0.6464000       2.734000 0.9660000       3.977000      0.8593000      -1.243000       1.293000
  1 1 1     -11   -8   33 o    7.496000      0.5134000       7.300000 0.7691000       7.692000      0.6804000     -0.3921000       1.027000
  1 1 1     -11   -8   34 o    4.321000      0.5337000       3.557000 0.8472000       5.085000      0.6493000      -1.527000       1.067000
  1 1 1     -11   -8   35 o    3.315000      0.6458000       3.286000 0.9584000       3.345000      0.8657000     -0.5945000E-01   1.292000
  1 1 1     -11   -8   36 o    2.408000      0.6910000       2.992000 1.081000       1.823000      0.8603000       1.168000       1.382000
  1 1 1     -11   -7    1 o    11.09000      0.1849000       11.07000 0.2618000       11.11000      0.2612000     -0.3569000E-01  0.3698000
  1 1 1     -11   -7    2 o    7.885000      0.2338000       7.784000 0.3269000       7.985000      0.3344000     -0.2007000      0.4677000
  1 1 1     -11   -7    3 o    23.26000      0.4596000       22.91000 0.6407000       23.60000      0.6591000     -0.6896000      0.9191000
  1 1 1     -11   -7    4 o    8.515000      0.1774000       8.508000 0.2516000       8.522000      0.2502000     -0.1363000E-01  0.3548000
  1 1 1     -11   -7    5 o    11.18000      0.1952000       11.32000 0.2778000       11.05000      0.2743000      0.2682000      0.3904000
  1 1 1     -11   -7    6 f    19.79000      0.2856000       20.11000 0.4094000       19.46000      0.3983000      0.6493000      0.5712000
  1 1 1     -11   -7    7 o    13.05000      0.2149000       13.46000 0.3089000       12.64000      0.2987000      0.8164000      0.4297000
  1 1 1     -11   -7    8 o    15.82000      0.2971000       16.03000 0.3469000       15.62000      0.4824000      0.4139000      0.5942000
  1 1 1     -11   -7    9 o    24.17000      0.3429000       24.28000 0.4853000       24.07000      0.4847000      0.2099000      0.6859000
  1 1 1     -11   -7   10 o    9.784000      0.2006000       9.663000 0.2829000       9.905000      0.2845000     -0.2420000      0.4012000
  1 1 1     -11   -7   11 o    13.91000      0.2306000       13.91000 0.3254000       13.91000      0.3269000      0.6812000E-02  0.4612000
  1 1 1     -11   -7   12 o    28.21000      0.4843000       28.30000 0.5601000       28.12000      0.7902000      0.1872000      0.9686000
  1 1 1     -11   -7   13 o    16.01000      0.2551000       15.71000 0.3550000       16.32000      0.3665000     -0.6091000      0.5103000
  1 1 1     -11   -7   14 o    11.35000      0.2214000       11.14000 0.3120000       11.56000      0.3142000     -0.4225000      0.4428000
  1 1 1     -11   -7   15 o    10.20000      0.2210000       10.29000 0.3126000       10.11000      0.3124000      0.1747000      0.4419000
  1 1 1     -11   -7   16 o    4.122000      0.3615000       3.707000 0.5564000       4.537000      0.4618000     -0.8308000      0.7230000
  1 1 1     -11   -7   17 o    4.712000      0.4768000       5.138000 0.6687000       4.286000      0.6800000      0.8529000      0.9537000
  1 1 1     -11   -7   18 o    2.000000      0.5245000       2.050000 0.7508000       1.950000      0.7326000      0.9937000E-01   1.049000
  1 1 1     -11   -7   19 o    3.448000      0.4357000       3.238000 0.6778000       3.659000      0.5476000     -0.4217000      0.8714000
  1 1 1     -11   -7   20 o    5.390000      0.4403000       5.204000 0.5946000       5.575000      0.6496000     -0.3703000      0.8806000
  1 1 1     -11   -7   21 o    6.423000      0.3020000       6.902000 0.4050000       5.944000      0.4481000      0.9576000      0.6040000
  1 1 1     -11   -7   22 o    10.73000      0.2539000       11.40000 0.3615000       10.06000      0.3566000       1.332000      0.5078000
  1 1 1     -11   -7   23 o    9.882000      0.2564000       9.995000 0.3630000       9.769000      0.3623000      0.2256000      0.5129000
  1 1 1     -11   -7   24 o    3.149000      0.5390000       2.800000 0.8119000       3.499000      0.7093000     -0.6983000       1.078000
  1 1 1     -11   -7   25 o    12.98000      0.2647000       12.59000 0.3771000       13.36000      0.3715000     -0.7743000      0.5294000
  1 1 1     -11   -7   26 o    2.717000      0.5534000       3.416000 0.7666000       2.018000      0.7984000       1.398000       1.107000
  1 1 1     -11   -7   27 o    13.76000      0.2735000       13.25000 0.3855000       14.26000      0.3880000      -1.009000      0.5470000
  1 1 1     -11   -7   28 o    2.679000      0.6003000       3.143000 0.8404000       2.215000      0.8573000      0.9281000       1.201000
  1 1 1     -11   -7   29 o    5.611000      0.4175000       6.011000 0.5502000       5.210000      0.6282000      0.8010000      0.8351000
  1 1 1     -11   -7   30 o    3.117000      0.6519000       3.038000 0.9244000       3.197000      0.9195000     -0.1589000       1.304000
  1 1 1     -11   -7   31 o    5.005000      0.5252000       5.746000 0.6319000       4.264000      0.8392000       1.481000       1.050000
  1 1 1     -11   -7   32 o    5.061000      0.5007000       5.496000 0.6484000       4.626000      0.7632000      0.8697000       1.001000
  1 1 1     -11   -7   33 o    7.133000      0.4973000       7.133000 0.7434000       7.133000      0.6606000     -0.4425000E-03  0.9946000
  1 1 1     -11   -7   34 f    2.842000      0.6949000       2.659000 1.064000       3.025000      0.8936000     -0.3664000       1.390000
  1 1 1     -11   -7   35 o    1.901000      0.5864000       1.748000 0.8003000       2.055000      0.8573000     -0.3074000       1.173000
  1 1 1     -11   -7   36 o    2.546000      0.7093000       3.228000 1.120000       1.864000      0.8704000       1.365000       1.419000
  1 1 1     -11   -6    1 o    6.603000      0.1627000       6.373000 0.2305000       6.833000      0.2296000     -0.4593000      0.3253000
  1 1 1     -11   -6    2 o    6.826000      0.1684000       6.662000 0.2391000       6.990000      0.2371000     -0.3278000      0.3368000
  1 1 1     -11   -6    3 o    17.97000      0.3676000       17.82000 0.5149000       18.13000      0.5246000     -0.3113000      0.7351000
  1 1 1     -11   -6    4 o    5.696000      0.2554000       5.840000 0.3469000       5.552000      0.3749000      0.2888000      0.5108000
  1 1 1     -11   -6    5 o    13.59000      0.2151000       13.56000 0.3041000       13.63000      0.3044000     -0.6398000E-01  0.4302000
  1 1 1     -11   -6    6 o    7.548000      0.1823000       7.543000 0.2574000       7.552000      0.2583000     -0.9205000E-02  0.3647000
  1 1 1     -11   -6    7 o    12.69000      0.2111000       12.94000 0.3023000       12.44000      0.2948000      0.5016000      0.4223000
  1 1 1     -11   -6    8 o    24.69000      0.3470000       24.52000 0.4881000       24.85000      0.4932000     -0.3313000      0.6939000
  1 1 1     -11   -6    9 o    30.36000      0.4200000       29.73000 0.5821000       30.99000      0.6056000      -1.259000      0.8400000
  1 1 1     -11   -6   10 o    4.307000      0.2582000       4.687000 0.3431000       3.927000      0.3859000      0.7600000      0.5164000
  1 1 1     -11   -6   11 o    9.367000      0.2033000       9.481000 0.2889000       9.253000      0.2862000      0.2278000      0.4067000
  1 1 1     -11   -6   12 f    14.87000      0.3000000       14.13000 0.3303000       15.62000      0.5010000      -1.493000      0.6001000
  1 1 1     -11   -6   13 o    7.689000      0.2174000       8.094000 0.3040000       7.283000      0.3109000      0.8110000      0.4348000
  1 1 1     -11   -6   14 o    6.668000      0.2343000       6.898000 0.3290000       6.438000      0.3338000      0.4597000      0.4687000
  1 1 1     -11   -6   15 o    4.686000      0.2967000       4.879000 0.3991000       4.493000      0.4392000      0.3865000      0.5935000
  1 1 1     -11   -6   16 o    8.852000      0.2297000       8.720000 0.3238000       8.983000      0.3258000     -0.2627000      0.4593000
  1 1 1     -11   -6   17 o    9.777000      0.3239000       10.23000 0.4724000       9.328000      0.4433000      0.8987000      0.6478000
  1 1 1     -11   -6   18 o    7.456000      0.2537000       7.215000 0.3702000       7.697000      0.3470000     -0.4821000      0.5074000
  1 1 1     -11   -6   19 o    2.968000      0.4815000       2.757000 0.6967000       3.180000      0.6648000     -0.4231000      0.9630000
  1 1 1     -11   -6   20 o    2.186000      0.6155000       2.274000 0.8590000       2.097000      0.8816000      0.1772000       1.231000
  1 1 1     -11   -6   21 o    2.087000      0.5426000       1.689000 0.7255000       2.485000      0.8070000     -0.7957000       1.085000
  1 1 1     -11   -6   22 o    16.59000      0.4001000       16.59000 0.4001000                  ?              ?              ?              ?
  1 1 1     -11   -6   23 o    4.795000      0.3879000       4.988000 0.5319000       4.602000      0.5647000      0.3857000      0.7758000
  1 1 1     -11   -6   24 o    9.387000      0.3726000                  ?       ?   9.387000      0.3726000                  ?              ?
  1 1 1     -11   -6   25 o    11.09000      0.2625000       11.30000 0.3759000       10.88000      0.3664000      0.4204000      0.5249000
  1 1 1     -11   -6   26 o    6.426000      0.3254000       6.369000 0.4722000       6.484000      0.4479000     -0.1153000      0.6509000
  1 1 1     -11   -6   27 o    4.433000      0.4589000       4.232000 0.6784000       4.633000      0.6181000     -0.4003000      0.9178000
  1 1 1     -11   -6   28 o    7.866000      0.3095000       7.756000 0.4392000       7.976000      0.4362000     -0.2203000      0.6190000
  1 1 1     -11   -6   29 o    8.293000      0.3184000       8.852000 0.4321000       7.734000      0.4677000       1.118000      0.6368000
  1 1 1     -11   -6   30 o    3.098000      0.6473000       2.903000 0.9410000       3.293000      0.8893000     -0.3894000       1.295000
  1 1 1     -11   -6   31 o    3.010000      0.6442000       3.644000 0.8889000       2.376000      0.9326000       1.267000       1.288000
  1 1 1     -11   -6   32 o    4.076000      0.6950000       4.728000 1.029000       3.424000      0.9343000       1.305000       1.390000
  1 1 1     -11   -6   33 o    3.347000      0.8215000       3.547000 1.176000       3.147000       1.148000      0.3995000       1.643000
  1 1 1     -11   -6   34 o    3.139000      0.6647000       3.470000 0.9174000       2.807000      0.9621000      0.6627000       1.329000
  1 1 1     -11   -6   35 o    2.762000      0.6583000       2.444000 0.9378000       3.081000      0.9241000     -0.6365000       1.317000
  1 1 1     -11   -6   36 o    3.019000      0.7692000       3.467000 1.117000       2.570000       1.058000      0.8975000       1.538000
  1 1 1     -11   -5    1 o    12.55000      0.1966000       12.43000 0.2768000       12.66000      0.2794000     -0.2295000      0.3933000
  1 1 1     -11   -5    2 o    17.10000      0.2489000       16.87000 0.3474000       17.34000      0.3565000     -0.4764000      0.4978000
  1 1 1     -11   -5    3 o    32.25000      0.6221000       32.61000 0.8881000       31.89000      0.8714000      0.7127000       1.244000
  1 1 1     -11   -5    4 o    5.266000      0.2679000       5.643000 0.3606000       4.889000      0.3963000      0.7536000      0.5358000
  1 1 1     -11   -5    5 o    12.22000      0.2488000       11.78000 0.2804000       12.67000      0.4111000     -0.8837000      0.4976000
  1 1 1     -11   -5    6 o    7.027000      0.1827000       7.484000 0.2531000       6.570000      0.2635000      0.9145000      0.3654000
  1 1 1     -11   -5    7 o    2.671000      0.3374000       2.648000 0.4833000       2.694000      0.4708000     -0.4608000E-01  0.6748000
  1 1 1     -11   -5    8 f    18.35000      0.2710000       18.56000 0.3859000       18.15000      0.3804000      0.4116000      0.5419000
  1 1 1     -11   -5    9 o    14.70000      0.2333000       15.03000 0.3348000       14.37000      0.3249000      0.6522000      0.4666000
  1 1 1     -11   -5   10 o    5.131000      0.2302000       5.224000 0.3194000       5.037000      0.3316000      0.1870000      0.4604000
  1 1 1     -11   -5   11 o    14.62000      0.2368000       14.20000 0.3299000       15.04000      0.3397000     -0.8358000      0.4735000
  1 1 1     -11   -5   12 o    4.910000      0.2491000       4.924000 0.3498000       4.896000      0.3548000      0.2753000E-01  0.4983000
  1 1 1     -11   -5   13 o    3.641000      0.3343000       3.641000 0.4731000       3.641000      0.4724000     -0.1051000E-03  0.6686000
  1 1 1     -11   -5   14 o    9.618000      0.2111000       9.785000 0.2975000       9.451000      0.2997000      0.3334000      0.4223000
  1 1 1     -11   -5   15 o    2.357000      0.4711000       2.548000 0.6354000       2.166000      0.6956000      0.3825000      0.9421000
  1 1 1     -11   -5   16 o    3.172000      0.4303000       2.835000 0.6578000       3.510000      0.5550000     -0.6746000      0.8607000
  1 1 1     -11   -5   17 o    11.28000      0.3283000       11.20000 0.4735000       11.36000      0.4548000     -0.1604000      0.6566000
  1 1 1     -11   -5   18 o    16.02000      0.2670000       15.81000 0.3770000       16.23000      0.3782000     -0.4164000      0.5340000
  1 1 1     -11   -5   19 o    1.827000      0.5010000       2.151000 0.7553000       1.504000      0.6584000      0.6462000       1.002000
  1 1 1     -11   -5   20 o    3.409000      0.5956000       2.608000 0.8999000       4.209000      0.7805000      -1.601000       1.191000
  1 1 1     -11   -5   21 o    8.391000      0.2640000       8.351000 0.3760000       8.430000      0.3708000     -0.7887000E-01  0.5281000
  1 1 1     -11   -5   22 o    13.43000      0.3701000       13.43000 0.3701000                  ?              ?              ?              ?
  1 1 1     -11   -5   23 o    14.77000      0.2701000       15.32000 0.3872000       14.23000      0.3768000       1.091000      0.5403000
  1 1 1     -11   -5   24 o    13.05000      0.3654000                  ?       ?   13.05000      0.3654000                  ?              ?
  1 1 1     -11   -5   25 o    14.49000      0.2720000       14.04000 0.3826000       14.94000      0.3867000     -0.8963000      0.5439000
  1 1 1     -11   -5   26 o    6.565000      0.3180000       6.441000 0.4649000       6.690000      0.4338000     -0.2489000      0.6359000
  1 1 1     -11   -5   27 o    1.952000      0.5562000       1.609000 0.7253000       2.294000      0.8434000     -0.6848000       1.112000
  1 1 1     -11   -5   28 o    6.800000      0.3324000       7.071000 0.4539000       6.529000      0.4857000      0.5417000      0.6648000
  1 1 1     -11   -5   29 o    4.333000      0.4928000       4.503000 0.6755000       4.164000      0.7176000      0.3387000      0.9856000
  1 1 1     -11   -5   30 o    2.035000      0.5900000       1.721000 0.7837000       2.350000      0.8821000     -0.6292000       1.180000
  1 1 1     -11   -5   31 o    3.107000      0.6633000       2.900000 0.9406000       3.313000      0.9356000     -0.4131000       1.327000
  1 1 1     -11   -5   32 o    8.097000      0.3335000       8.079000 0.4759000       8.115000      0.4674000     -0.3607000E-01  0.6671000
  1 1 1     -11   -5   33 o    3.406000      0.7448000       3.207000 1.084000       3.605000       1.022000     -0.3980000       1.490000
  1 1 1     -11   -5   34 o    3.928000      0.5789000       4.455000 0.7431000       3.402000      0.8878000       1.053000       1.158000
  1 1 1     -11   -5   35 o    2.805000      0.5890000       1.886000 0.8362000       3.724000      0.8297000      -1.838000       1.178000
  1 1 1     -11   -5   36 o    1.824000      0.6095000       2.008000 0.9258000       1.640000      0.7930000      0.3687000       1.219000
  1 1 1     -11   -4    1 o    16.10000      0.2337000       15.97000 0.3283000       16.22000      0.3328000     -0.2545000      0.4674000
  1 1 1     -11   -4    2 o    23.71000      0.3296000       23.74000 0.4667000       23.67000      0.4657000      0.6429000E-01  0.6593000
  1 1 1     -11   -4    3 o    30.37000      0.5873000       30.35000 0.8293000       30.39000      0.8319000     -0.3944000E-01   1.175000
  1 1 1     -11   -4    4 o    3.611000      0.3398000       3.992000 0.4386000       3.230000      0.5190000      0.7617000      0.6795000
  1 1 1     -11   -4    5 o    16.20000      0.2418000       16.13000 0.3409000       16.28000      0.3430000     -0.1544000      0.4836000
  1 1 1     -11   -4    6 o    9.469000      0.1842000       9.569000 0.2604000       9.369000      0.2605000      0.1992000      0.3683000
  1 1 1     -11   -4    7 o    10.18000      0.1901000       10.01000 0.2655000       10.35000      0.2722000     -0.3457000      0.3802000
  1 1 1     -11   -4    8 o    3.659000      0.2713000       3.562000 0.3922000       3.757000      0.3751000     -0.1945000      0.5427000
  1 1 1     -11   -4    9 o    5.369000      0.2154000       5.499000 0.3033000       5.238000      0.3059000      0.2617000      0.4308000
  1 1 1     -11   -4   10 o    2.634000      0.3907000       2.649000 0.5319000       2.618000      0.5724000      0.3112000E-01  0.7814000
  1 1 1     -11   -4   11 o    8.030000      0.1995000       8.116000 0.2801000       7.943000      0.2842000      0.1726000      0.3990000
  1 1 1     -11   -4   12 o    6.355000      0.2182000       6.358000 0.3073000       6.351000      0.3099000      0.6815000E-02  0.4364000
  1 1 1     -11   -4   13 o    4.831000      0.2700000       4.588000 0.3961000       5.074000      0.3670000     -0.4853000      0.5400000
  1 1 1     -11   -4   14 o    7.511000      0.2226000       7.648000 0.3145000       7.373000      0.3150000      0.2747000      0.4451000
  1 1 1     -11   -4   15 o    3.605000      0.3680000       3.918000 0.4712000       3.293000      0.5655000      0.6248000      0.7361000
  1 1 1     -11   -4   16 o    10.15000      0.2241000       9.951000 0.3146000       10.34000      0.3193000     -0.3904000      0.4483000
  1 1 1     -11   -4   17 o    5.606000      0.3639000       5.390000 0.5382000       5.822000      0.4899000     -0.4325000      0.7278000
  1 1 1     -11   -4   18 o    8.075000      0.2389000       8.022000 0.3402000       8.128000      0.3357000     -0.1057000      0.4779000
  1 1 1     -11   -4   19 o    5.063000      0.3046000       5.249000 0.4158000       4.877000      0.4452000      0.3714000      0.6092000
  1 1 1     -11   -4   20 o    2.318000      0.6125000       2.509000 0.8696000       2.126000      0.8630000      0.3837000       1.225000
  1 1 1     -11   -4   21 o    14.38000      0.2616000       14.69000 0.3750000       14.07000      0.3647000      0.6159000      0.5231000
  1 1 1     -11   -4   22 o    5.585000      0.3113000       6.045000 0.4179000       5.125000      0.4615000      0.9203000      0.6226000
  1 1 1     -11   -4   23 o    9.327000      0.2506000       9.182000 0.3583000       9.472000      0.3504000     -0.2904000      0.5011000
  1 1 1     -11   -4   24 f    7.087000      0.2695000       6.761000 0.3722000       7.413000      0.3899000     -0.6520000      0.5390000
  1 1 1     -11   -4   25 o    3.710000      0.4951000       3.292000 0.7761000       4.129000      0.6151000     -0.8364000      0.9903000
  1 1 1     -11   -4   26 f    6.993000      0.3057000       7.230000 0.4289000       6.756000      0.4357000      0.4740000      0.6114000
  1 1 1     -11   -4   27 o    1.797000      0.5362000       1.512000 0.6990000       2.082000      0.8132000     -0.5707000       1.072000
  1 1 1     -11   -4   28 o    4.057000      0.4903000       3.766000 0.7508000       4.349000      0.6307000     -0.5826000      0.9805000
  1 1 1     -11   -4   29 o    9.594000      0.2880000       9.369000 0.4119000       9.819000      0.4025000     -0.4499000      0.5759000
  1 1 1     -11   -4   30 o    2.498000      0.6172000       3.009000 0.9106000       1.987000      0.8336000       1.022000       1.234000
  1 1 1     -11   -4   31 o    5.938000      0.4228000       6.238000 0.5758000       5.638000      0.6192000      0.5998000      0.8456000
  1 1 1     -11   -4   32 o    5.973000      0.4236000       5.829000 0.6190000       6.116000      0.5784000     -0.2879000      0.8472000
  1 1 1     -11   -4   33 o    3.152000      0.7398000       3.560000 1.067000       2.744000       1.025000      0.8163000       1.480000
  1 1 1     -11   -4   34 o    4.639000      0.5059000       4.164000 0.7974000       5.115000      0.6227000     -0.9513000       1.012000
  1 1 1     -11   -4   35 o    1.674000      0.5433000       1.461000 0.7068000       1.887000      0.8254000     -0.4259000       1.087000
  1 1 1     -11   -4   36 o    2.555000      0.7448000       2.584000 1.060000       2.527000       1.047000      0.5741000E-01   1.490000
  1 1 1     -11   -3    1 o    12.94000      0.2008000       12.56000 0.2786000       13.31000      0.2893000     -0.7508000      0.4016000
  1 1 1     -11   -3    2 o    19.55000      0.2772000       19.52000 0.3918000       19.57000      0.3924000     -0.4356000E-01  0.5545000
  1 1 1     -11   -3    3 o    8.483000      0.2363000       8.402000 0.3335000       8.564000      0.3348000     -0.1626000      0.4726000
  1 1 1     -11   -3    4 o    15.86000      0.3344000       16.33000 0.4827000       15.39000      0.4629000      0.9452000      0.6688000
  1 1 1     -11   -3    5 f    9.770000      0.1822000       9.688000 0.2581000       9.851000      0.2574000     -0.1634000      0.3645000
  1 1 1     -11   -3    6 o    6.134000      0.1855000       6.211000 0.2614000       6.057000      0.2634000      0.1535000      0.3711000
  1 1 1     -11   -3    7 o    2.433000      0.3613000       2.422000 0.5078000       2.444000      0.5139000     -0.2132000E-01  0.7225000
  1 1 1     -11   -3    8 o    10.37000      0.1943000       10.16000 0.2741000       10.58000      0.2754000     -0.4225000      0.3886000
  1 1 1     -11   -3    9 o    7.311000      0.1918000       7.543000 0.2722000       7.080000      0.2703000      0.4628000      0.3836000
  1 1 1     -11   -3   10 o    11.41000      0.2073000       11.67000 0.2944000       11.16000      0.2920000      0.5030000      0.4146000
  1 1 1     -11   -3   11 o    9.482000      0.1988000       9.719000 0.2824000       9.246000      0.2800000      0.4737000      0.3977000
  1 1 1     -11   -3   12 o    7.092000      0.2080000       7.488000 0.2910000       6.695000      0.2971000      0.7935000      0.4159000
  1 1 1     -11   -3   13 o    9.891000      0.2092000       10.05000 0.2940000       9.732000      0.2977000      0.3173000      0.4184000
  1 1 1     -11   -3   14 o    2.155000      0.4709000       1.975000 0.6680000       2.335000      0.6638000     -0.3595000      0.9418000
  1 1 1     -11   -3   15 o    6.755000      0.2354000       7.078000 0.3238000       6.431000      0.3418000      0.6479000      0.4708000
  1 1 1     -11   -3   16 o    14.89000      0.3537000       14.49000 0.5013000       15.28000      0.4991000     -0.7860000      0.7074000
  1 1 1     -11   -3   17 o    2.560000      0.6131000       2.416000 0.8761000       2.703000      0.8578000     -0.2871000       1.226000
  1 1 1     -11   -3   18 o    5.246000      0.2924000       5.046000 0.4210000       5.445000      0.4060000     -0.3997000      0.5849000
  1 1 1     -11   -3   19 o    11.03000      0.2350000       11.29000 0.3355000       10.76000      0.3292000      0.5337000      0.4701000
  1 1 1     -11   -3   20 o    3.916000      0.5583000       4.363000 0.7103000       3.469000      0.8617000      0.8943000       1.117000
  1 1 1     -11   -3   21 o    3.201000      0.4800000       3.252000 0.6869000       3.149000      0.6707000      0.1031000      0.9601000
  1 1 1     -11   -3   22 o    8.190000      0.2498000       8.185000 0.3516000       8.195000      0.3549000     -0.9713000E-02  0.4996000
  1 1 1     -11   -3   23 o    3.389000      0.4968000       3.657000 0.6633000       3.122000      0.7398000      0.5343000      0.9936000
  1 1 1     -11   -3   24 o    6.653000      0.2923000       6.922000 0.4165000       6.385000      0.4101000      0.5371000      0.5845000
  1 1 1     -11   -3   25 o    7.236000      0.2893000       7.255000 0.4103000       7.217000      0.4079000      0.3769000E-01  0.5785000
  1 1 1     -11   -3   26 o    6.310000      0.3175000       6.079000 0.4695000       6.540000      0.4276000     -0.4605000      0.6350000
  1 1 1     -11   -3   27 o    5.349000      0.3673000       5.452000 0.5195000       5.247000      0.5193000      0.2055000      0.7345000
  1 1 1     -11   -3   28 o    2.141000      0.5546000       2.683000 0.8489000       1.598000      0.7139000       1.086000       1.109000
  1 1 1     -11   -3   29 o    9.980000      0.2878000       10.02000 0.4061000       9.936000      0.4078000      0.8636000E-01  0.5756000
  1 1 1     -11   -3   30 o    3.467000      0.5771000       2.620000 0.9145000       4.315000      0.7042000      -1.695000       1.154000
  1 1 1     -11   -3   31 f    8.168000      0.3258000       7.687000 0.4845000       8.650000      0.4358000     -0.9633000      0.6517000
  1 1 1     -11   -3   32 o    2.229000      0.6250000       2.216000 0.8876000       2.242000      0.8802000     -0.2554000E-01   1.250000
  1 1 1     -11   -3   33 o    3.612000      0.6888000       4.797000 0.9499000       2.427000      0.9977000       2.370000       1.378000
  1 1 1     -11   -3   34 o    7.203000      0.3442000       7.311000 0.4882000       7.095000      0.4854000      0.2155000      0.6885000
  1 1 1     -11   -3   35 o    2.328000      0.7000000       2.779000 1.083000       1.878000      0.8868000      0.9003000       1.400000
  1 1 1     -11   -3   36 o    4.066000      0.7808000       4.972000 1.059000       3.159000       1.147000       1.813000       1.562000
  1 1 1     -11   -2    1 o    3.621000      0.2036000       3.315000 0.3077000       3.927000      0.2666000     -0.6114000      0.4071000
  1 1 1     -11   -2    2 o    19.21000      0.2738000       18.91000 0.3824000       19.50000      0.3921000     -0.5900000      0.5477000
  1 1 1     -11   -2    3 o    7.923000      0.2370000       7.785000 0.3328000       8.060000      0.3376000     -0.2750000      0.4741000
  1 1 1     -11   -2    4 o    18.86000      0.2716000       19.09000 0.3884000       18.63000      0.3798000      0.4659000      0.5433000
  1 1 1     -11   -2    5 o    2.647000      0.3161000       2.787000 0.4340000       2.508000      0.4597000      0.2789000      0.6321000
  1 1 1     -11   -2    6 o    17.40000      0.2571000       18.15000 0.3752000       16.66000      0.3515000       1.489000      0.5141000
  1 1 1     -11   -2    7 o    16.71000      0.2505000       17.07000 0.3594000       16.35000      0.3490000      0.7183000      0.5010000
  1 1 1     -11   -2    8 o    9.441000      0.1900000       9.704000 0.2712000       9.177000      0.2661000      0.5271000      0.3800000
  1 1 1     -11   -2    9 o    13.19000      0.2183000       12.89000 0.3047000       13.49000      0.3127000     -0.5984000      0.4366000
  1 1 1     -11   -2   10 o    7.760000      0.1957000       7.238000 0.2774000       8.283000      0.2762000      -1.045000      0.3914000
  1 1 1     -11   -2   11 o    8.548000      0.1989000       8.464000 0.2807000       8.631000      0.2817000     -0.1674000      0.3977000
  1 1 1     -11   -2   12 o    7.229000      0.2064000       7.104000 0.2959000       7.354000      0.2880000     -0.2498000      0.4129000
  1 1 1     -11   -2   13 o    11.62000      0.2173000       12.00000 0.3088000       11.24000      0.3058000      0.7582000      0.4346000
  1 1 1     -11   -2   14 o    11.39000      0.2202000       11.21000 0.3092000       11.57000      0.3136000     -0.3656000      0.4404000
  1 1 1     -11   -2   15 o    13.98000      0.2402000       14.16000 0.3414000       13.80000      0.3381000      0.3603000      0.4805000
  1 1 1     -11   -2   16 o    2.108000      0.5622000       2.474000 0.8415000       1.742000      0.7456000      0.7322000       1.124000
  1 1 1     -11   -2   17 o    6.292000      0.3439000       6.406000 0.4939000       6.178000      0.4788000      0.2277000      0.6879000
  1 1 1     -11   -2   18 o    7.384000      0.2485000       7.861000 0.3461000       6.907000      0.3568000      0.9544000      0.4971000
  1 1 1     -11   -2   19 o    13.57000      0.3531000       13.99000 0.5035000       13.15000      0.4953000      0.8471000      0.7063000
  1 1 1     -11   -2   20 o    8.431000      0.3482000       8.194000 0.4860000       8.669000      0.4988000     -0.4755000      0.6964000
  1 1 1     -11   -2   21 o    7.467000      0.2600000       7.193000 0.3825000       7.740000      0.3522000     -0.5465000      0.5200000
  1 1 1     -11   -2   22 o    3.797000      0.4435000       3.998000 0.6004000       3.596000      0.6528000      0.4024000      0.8869000
  1 1 1     -11   -2   23 o    8.163000      0.2562000       8.371000 0.3651000       7.955000      0.3594000      0.4159000      0.5123000
  1 1 1     -11   -2   24 f    12.68000      0.2599000       12.81000 0.3704000       12.54000      0.3648000      0.2770000      0.5199000
  1 1 1     -11   -2   25 o    3.292000      0.5152000       3.147000 0.7681000       3.437000      0.6869000     -0.2905000       1.030000
  1 1 1     -11   -2   26 o    4.243000      0.4336000       4.352000 0.6382000       4.134000      0.5872000      0.2185000      0.8672000
  1 1 1     -11   -2   27 o    7.597000      0.2929000       7.734000 0.4170000       7.460000      0.4113000      0.2739000      0.5858000
  1 1 1     -11   -2   28 o    1.824000      0.5426000       2.048000 0.8112000       1.600000      0.7210000      0.4475000       1.085000
  1 1 1     -11   -2   29 o    8.652000      0.2929000       8.708000 0.4002000       8.596000      0.4279000      0.1122000      0.5859000
  1 1 1     -11   -2   30 o    2.956000      0.5990000       2.255000 0.8786000       3.656000      0.8143000      -1.401000       1.198000
  1 1 1     -11   -2   31 o    8.825000      0.3114000       9.089000 0.4426000       8.561000      0.4382000      0.5283000      0.6228000
  1 1 1     -11   -2   32 o    5.588000      0.5634000       4.457000 0.9198000       6.720000      0.6509000      -2.263000       1.127000
  1 1 1     -11   -2   33 o    3.083000      0.7363000       2.806000 1.052000       3.360000       1.030000     -0.5545000       1.473000
  1 1 1     -11   -2   34 o    5.812000      0.3964000       6.135000 0.5307000       5.490000      0.5890000      0.6452000      0.7928000
  1 1 1     -11   -2   35 o    2.912000      0.7770000       2.747000 1.098000       3.077000       1.100000     -0.3301000       1.554000
  1 1 1     -11   -2   36 o    3.571000      0.6175000       3.307000 0.9173000       3.835000      0.8269000     -0.5281000       1.235000
  1 1 1     -11   -1    1 o    10.49000      0.1776000       10.35000 0.2503000       10.64000      0.2520000     -0.2822000      0.3552000
  1 1 1     -11   -1    2 o    18.47000      0.3749000       18.42000 0.5286000       18.53000      0.5317000     -0.1082000      0.7497000
  1 1 1     -11   -1    3 o    19.52000      0.3949000       19.45000 0.5556000       19.60000      0.5613000     -0.1484000      0.7898000
  1 1 1     -11   -1    4 o    23.14000      0.3242000       23.38000 0.4628000       22.90000      0.4541000      0.4793000      0.6484000
  1 1 1     -11   -1    5 o    1.401000      0.3812000       1.272000 0.5275000       1.530000      0.5504000     -0.2581000      0.7624000
  1 1 1     -11   -1    6 o    10.60000      0.1891000       10.83000 0.2705000       10.38000      0.2643000      0.4513000      0.3782000
  1 1 1     -11   -1    7 o    11.55000      0.2005000       11.62000 0.2848000       11.48000      0.2822000      0.1413000      0.4010000
  1 1 1     -11   -1    8 o    5.783000      0.1892000       5.837000 0.2713000       5.729000      0.2637000      0.1082000      0.3783000
  1 1 1     -11   -1    9 o    13.47000      0.2200000       13.18000 0.3072000       13.75000      0.3150000     -0.5776000      0.4400000
  1 1 1     -11   -1   10 o    8.740000      0.1958000       9.230000 0.2770000       8.249000      0.2767000      0.9801000      0.3915000
  1 1 1     -11   -1   11 o    8.486000      0.1983000       8.505000 0.2783000       8.467000      0.2825000      0.3810000E-01  0.3965000
  1 1 1     -11   -1   12 o    1.867000      0.4363000       2.150000 0.6209000       1.584000      0.6131000      0.5658000      0.8725000
  1 1 1     -11   -1   13 o    3.383000      0.3386000       3.138000 0.5098000       3.627000      0.4458000     -0.4885000      0.6773000
  1 1 1     -11   -1   14 o    8.058000      0.2152000       7.634000 0.3039000       8.483000      0.3050000     -0.8488000      0.4305000
  1 1 1     -11   -1   15 o    8.576000      0.2105000       8.650000 0.2967000       8.502000      0.2986000      0.1479000      0.4210000
  1 1 1     -11   -1   16 o    2.407000      0.5713000       2.537000 0.7984000       2.277000      0.8172000      0.2609000       1.143000
  1 1 1     -11   -1   17 o    2.528000      0.4872000       2.524000 0.6866000       2.531000      0.6914000     -0.6787000E-02  0.9744000
  1 1 1     -11   -1   18 o    9.694000      0.2295000       9.266000 0.3240000       10.12000      0.3252000     -0.8568000      0.4590000
  1 1 1     -11   -1   19 o    6.845000      0.3823000       7.741000 0.5016000       5.949000      0.5770000       1.793000      0.7646000
  1 1 1     -11   -1   20 o    6.631000      0.2646000       6.723000 0.3632000       6.540000      0.3849000      0.1830000      0.5293000
  1 1 1     -11   -1   21 o    2.217000      0.5358000       2.421000 0.7601000       2.013000      0.7554000      0.4085000       1.072000
  1 1 1     -11   -1   22 f    10.43000      0.2429000       10.39000 0.3451000       10.48000      0.3420000     -0.8234000E-01  0.4858000
  1 1 1     -11   -1   23 f    2.171000      0.8072000       2.171000 0.8072000                  ?              ?              ?              ?
  1 1 1     -11   -1   24 o    5.867000      0.3237000       5.568000 0.4884000       6.166000      0.4249000     -0.5981000      0.6473000
  1 1 1     -11   -1   25 o    3.339000      0.6577000                  ?       ?   3.339000      0.6577000                  ?              ?
  1 1 1     -11   -1   26 o    2.191000      0.5131000       1.425000 0.6741000       2.956000      0.7737000      -1.530000       1.026000
  1 1 1     -11   -1   27 o    8.388000      0.2875000       7.967000 0.4215000       8.809000      0.3910000     -0.8417000      0.5750000
  1 1 1     -11   -1   28 o    3.829000      0.5334000       3.939000 0.7494000       3.718000      0.7593000      0.2216000       1.067000
  1 1 1     -11   -1   29 o    5.507000      0.3821000       4.987000 0.5748000       6.027000      0.5038000      -1.040000      0.7643000
  1 1 1     -11   -1   30 f    6.096000      0.3960000       5.810000 0.6049000       6.383000      0.5111000     -0.5725000      0.7919000
  1 1 1     -11   -1   31 o    5.564000      0.4175000       5.842000 0.5813000       5.287000      0.5993000      0.5550000      0.8349000
  1 1 1     -11   -1   32 f    3.034000      0.7044000       3.951000 1.060000       2.117000      0.9275000       1.833000       1.409000
  1 1 1     -11   -1   33 o    3.322000      0.6119000       3.493000 0.8600000       3.152000      0.8708000      0.3411000       1.224000
  1 1 1     -11   -1   34 o    5.187000      0.4723000       5.466000 0.6462000       4.909000      0.6890000      0.5563000      0.9446000
  1 1 1     -11   -1   35 o    3.308000      0.8056000       3.481000 1.140000       3.135000       1.138000      0.3455000       1.611000
  1 1 1     -11   -1   36 o    2.158000      0.5991000       1.784000 0.7995000       2.531000      0.8924000     -0.7466000       1.198000
  1 1 1     -11    0    1 o    7.394000      0.1564000       7.621000 0.2241000       7.168000      0.2181000      0.4531000      0.3127000
  1 1 1     -11    0    2 o    12.04000      0.2729000       12.04000 0.3848000       12.04000      0.3871000      0.8380000E-02  0.5458000
  1 1 1     -11    0    3 o    18.72000      0.2695000       18.68000 0.3802000       18.76000      0.3821000     -0.8364000E-01  0.5390000
  1 1 1     -11    0    4 o    11.08000      0.1898000       11.32000 0.2721000       10.84000      0.2647000      0.4823000      0.3796000
  1 1 1     -11    0    5 o    17.02000      0.2517000       17.08000 0.3576000       16.96000      0.3542000      0.1209000      0.5033000
  1 1 1     -11    0    6 o    10.33000      0.1868000       10.25000 0.2634000       10.40000      0.2649000     -0.1539000      0.3736000
  1 1 1     -11    0    7 o    8.334000      0.1830000       8.126000 0.2588000       8.541000      0.2587000     -0.4152000      0.3659000
  1 1 1     -11    0    8 o    17.22000      0.2586000       16.93000 0.3617000       17.52000      0.3696000     -0.5861000      0.5171000
  1 1 1     -11    0    9 o    4.483000      0.2255000       4.709000 0.3134000       4.257000      0.3244000      0.4514000      0.4510000
  1 1 1     -11    0   10 o    23.20000      0.3314000       23.07000 0.4661000       23.33000      0.4711000     -0.2542000      0.6627000
  1 1 1     -11    0   11 o    10.19000      0.2026000       9.855000 0.2846000       10.52000      0.2883000     -0.6615000      0.4051000
  1 1 1     -11    0   12 o    13.16000      0.2793000       13.66000 0.4629000       12.67000      0.3129000      0.9968000      0.5587000
  1 1 1     -11    0   13 o    8.857000      0.2086000       8.864000 0.2938000       8.849000      0.2961000      0.1508000E-01  0.4172000
  1 1 1     -11    0   14 o    3.726000      0.3216000       3.619000 0.4699000       3.833000      0.4393000     -0.2140000      0.6433000
  1 1 1     -11    0   15 o    8.172000      0.3064000       7.616000 0.4530000       8.728000      0.4128000      -1.111000      0.6129000
  1 1 1     -11    0   16 o    3.063000      0.5489000       3.454000 0.7558000       2.671000      0.7963000      0.7832000       1.098000
  1 1 1     -11    0   17 o    10.78000      0.2273000       10.67000 0.3215000       10.89000      0.3213000     -0.2137000      0.4545000
  1 1 1     -11    0   18 o    3.687000      0.5589000       3.619000 0.7848000       3.754000      0.7959000     -0.1346000       1.118000
  1 1 1     -11    0   19 o    4.028000      0.5303000       4.431000 0.6252000       3.625000      0.8567000      0.8060000       1.061000
  1 1 1     -11    0   20 o    8.375000      0.2367000       8.081000 0.3384000       8.668000      0.3312000     -0.5867000      0.4735000
  1 1 1     -11    0   21 o    6.456000      0.2637000       6.527000 0.3779000       6.385000      0.3679000      0.1418000      0.5274000
  1 1 1     -11    0   22 o    5.337000      0.3229000       5.482000 0.4456000       5.193000      0.4674000      0.2889000      0.6458000
  1 1 1     -11    0   23 o    7.010000      0.4035000       7.010000 0.4035000                  ?              ?              ?              ?
  1 1 1     -11    0   24 o    8.236000      0.2647000       7.977000 0.3817000       8.496000      0.3669000     -0.5184000      0.5295000
  1 1 1     -11    0   25 o    4.285000      0.5185000                  ?       ?   4.285000      0.5185000                  ?              ?
  1 1 1     -11    0   26 o    8.109000      0.2793000       8.094000 0.4014000       8.124000      0.3886000     -0.3003000E-01  0.5587000
  1 1 1     -11    0   27 o    9.820000      0.2702000       9.536000 0.3955000       10.10000      0.3682000     -0.5670000      0.5404000
  1 1 1     -11    0   28 o    1.902000      0.5531000       2.219000 0.8439000       1.585000      0.7152000      0.6343000       1.106000
  1 1 1     -11    0   29 f    2.609000      0.6244000       2.480000 0.8855000       2.739000      0.8807000     -0.2596000       1.249000
  1 1 1     -11    0   30 o    3.239000      0.5861000       2.547000 0.9081000       3.932000      0.7412000      -1.385000       1.172000
  1 1 1     -11    0   31 o    3.239000      0.6331000       2.054000 0.8975000       4.424000      0.8933000      -2.370000       1.266000
  1 1 1     -11    0   32 o    3.524000      0.7232000       4.055000 1.034000       2.992000       1.012000       1.063000       1.446000
  1 1 1     -11    0   33 f    7.768000      0.3248000       7.890000 0.4902000       7.646000      0.4261000      0.2436000      0.6495000
  1 1 1     -11    0   34 o    3.754000      0.8189000       3.533000 1.157000       3.975000       1.159000     -0.4419000       1.638000
  1 1 1     -11    0   35 o    2.647000      0.6365000       3.063000 0.9300000       2.232000      0.8692000      0.8306000       1.273000
  1 1 1     -11    0   36 o    3.656000      0.5841000       3.269000 0.9023000       4.042000      0.7420000     -0.7732000       1.168000
  1 1 1     -11    1    1 o    26.54000      0.5181000       26.19000 0.7233000       26.90000      0.7420000     -0.7096000       1.036000
  1 1 1     -11    1    2 o    5.742000      0.1695000       5.622000 0.2443000       5.863000      0.2349000     -0.2417000      0.3389000
  1 1 1     -11    1    3 o    12.21000      0.1986000       12.02000 0.2771000       12.39000      0.2845000     -0.3632000      0.3972000
  1 1 1     -11    1    4 o    21.35000      0.3026000       21.25000 0.4260000       21.45000      0.4299000     -0.2041000      0.6052000
  1 1 1     -11    1    5 o    7.688000      0.1729000       7.862000 0.2466000       7.515000      0.2423000      0.3479000      0.3457000
  1 1 1     -11    1    6 o    6.883000      0.1812000       6.908000 0.2571000       6.859000      0.2554000      0.4918000E-01  0.3624000
  1 1 1     -11    1    7 f    8.079000      0.1809000       8.064000 0.2559000       8.093000      0.2557000     -0.2855000E-01  0.3618000
  1 1 1     -11    1    8 o    14.30000      0.2279000       14.14000 0.3195000       14.47000      0.3250000     -0.3304000      0.4557000
  1 1 1     -11    1    9 o    11.48000      0.2074000       11.37000 0.2916000       11.59000      0.2950000     -0.2188000      0.4148000
  1 1 1     -11    1   10 o    13.74000      0.2266000       13.78000 0.3216000       13.70000      0.3192000      0.8614000E-01  0.4531000
  1 1 1     -11    1   11 o    7.522000      0.1959000       7.748000 0.2741000       7.296000      0.2799000      0.4516000      0.3917000
  1 1 1     -11    1   12 o    7.682000      0.2040000       7.917000 0.2846000       7.446000      0.2924000      0.4705000      0.4081000
  1 1 1     -11    1   13 o    5.493000      0.2412000       5.323000 0.3478000       5.663000      0.3342000     -0.3400000      0.4824000
  1 1 1     -11    1   14 o    1.842000      0.4667000       2.153000 0.6835000       1.532000      0.6357000      0.6210000      0.9334000
  1 1 1     -11    1   15 o    2.883000      0.5301000       2.979000 0.7661000       2.788000      0.7329000      0.1907000       1.060000
  1 1 1     -11    1   16 o    8.037000      0.2239000       8.398000 0.3202000       7.677000      0.3130000      0.7212000      0.4478000
  1 1 1     -11    1   17 o    9.340000      0.2308000       9.153000 0.3244000       9.527000      0.3282000     -0.3741000      0.4615000
  1 1 1     -11    1   18 o    5.452000      0.4279000       4.602000 0.6481000       6.301000      0.5588000      -1.699000      0.8558000
  1 1 1     -11    1   19 o    7.929000      0.2465000       8.197000 0.3502000       7.662000      0.3470000      0.5350000      0.4930000
  1 1 1     -11    1   20 o    9.087000      0.2411000       8.962000 0.3475000       9.212000      0.3342000     -0.2503000      0.4821000
  1 1 1     -11    1   21 o    3.459000      0.4468000       3.432000 0.6431000       3.486000      0.6206000     -0.5313000E-01  0.8937000
  1 1 1     -11    1   22 o    2.292000      0.5235000       2.819000 0.7581000       1.765000      0.7223000       1.054000       1.047000
  1 1 1     -11    1   23 o    6.874000      0.2862000       6.955000 0.4023000       6.792000      0.4072000      0.1634000      0.5724000
  1 1 1     -11    1   24 o    10.73000      0.2517000       10.93000 0.3591000       10.54000      0.3529000      0.3848000      0.5035000
  1 1 1     -11    1   25 o    7.093000      0.2866000       7.250000 0.4205000       6.936000      0.3894000      0.3139000      0.5732000
  1 1 1     -11    1   26 o    8.569000      0.2731000       8.507000 0.3879000       8.631000      0.3844000     -0.1246000      0.5461000
  1 1 1     -11    1   27 f    3.449000      0.5350000       3.437000 0.7778000       3.462000      0.7347000     -0.2586000E-01   1.070000
  1 1 1     -11    1   28 o    2.324000      0.5770000       2.627000 0.8408000       2.020000      0.7906000      0.6071000       1.154000
  1 1 1     -11    1   29 o    2.426000      0.5870000       1.941000 0.8129000       2.911000      0.8469000     -0.9695000       1.174000
  1 1 1     -11    1   30 o    1.735000      0.5392000       1.872000 0.7903000       1.599000      0.7338000      0.2731000       1.078000
  1 1 1     -11    1   31 o    3.283000      0.6458000       2.099000 0.9439000       4.467000      0.8815000      -2.368000       1.292000
  1 1 1     -11    1   32 o    3.541000      0.5954000       3.337000 0.8813000       3.744000      0.8008000     -0.4067000       1.191000
  1 1 1     -11    1   33 o    7.231000      0.3556000       7.444000 0.4867000       7.018000      0.5187000      0.4254000      0.7113000
  1 1 1     -11    1   34 o    4.745000      0.7447000       4.202000 1.119000       5.287000      0.9827000      -1.086000       1.489000
  1 1 1     -11    1   35 o    2.968000      0.6291000       3.399000 0.8875000       2.536000      0.8920000      0.8630000       1.258000
  1 1 1     -11    2    1 o    15.61000      0.2335000       15.79000 0.3321000       15.42000      0.3283000      0.3674000      0.4670000
  1 1 1     -11    2    2 o    1.624000      0.3870000       1.621000 0.5262000       1.626000      0.5677000     -0.4511000E-02  0.7740000
  1 1 1     -11    2    3 o    5.160000      0.1953000       4.954000 0.2690000       5.366000      0.2831000     -0.4120000      0.3905000
  1 1 1     -11    2    4 o    5.043000      0.2044000       5.090000 0.2762000       4.995000      0.3015000      0.9528000E-01  0.4089000
  1 1 1     -11    2    5 o    12.69000      0.2122000       12.89000 0.2966000       12.48000      0.3035000      0.4069000      0.4244000
  1 1 1     -11    2    6 o    2.990000      0.2800000       2.734000 0.4228000       3.247000      0.3673000     -0.5126000      0.5601000
  1 1 1     -11    2    7 o    6.129000      0.1949000       6.374000 0.2710000       5.884000      0.2803000      0.4904000      0.3899000
  1 1 1     -11    2    8 o    7.585000      0.1887000       7.659000 0.2632000       7.512000      0.2705000      0.1465000      0.3774000
  1 1 1     -11    2    9 o    6.704000      0.2022000       6.668000 0.2897000       6.740000      0.2820000     -0.7215000E-01  0.4043000
  1 1 1     -11    2   10 f    6.211000      0.2063000       5.998000 0.2955000       6.423000      0.2878000     -0.4244000      0.4125000
  1 1 1     -11    2   11 o    3.786000      0.2928000       3.679000 0.4154000       3.893000      0.4127000     -0.2139000      0.5855000
  1 1 1     -11    2   12 o    11.86000      0.2731000       11.74000 0.3052000       11.98000      0.4529000     -0.2397000      0.5461000
  1 1 1     -11    2   13 o    11.66000      0.2177000       11.71000 0.3071000       11.60000      0.3088000      0.1063000      0.4355000
  1 1 1     -11    2   14 o    7.706000      0.2963000       7.644000 0.4388000       7.767000      0.3982000     -0.1229000      0.5926000
  1 1 1     -11    2   15 o    1.998000      0.4864000       1.897000 0.6968000       2.098000      0.6790000     -0.2011000      0.9729000
  1 1 1     -11    2   16 f    2.585000      0.4544000       2.691000 0.6505000       2.480000      0.6347000      0.2105000      0.9088000
  1 1 1     -11    2   17 o    7.514000      0.3238000       7.618000 0.4397000       7.409000      0.4755000      0.2091000      0.6477000
  1 1 1     -11    2   18 o    2.928000      0.4749000       2.635000 0.7242000       3.220000      0.6146000     -0.5853000      0.9499000
  1 1 1     -11    2   19 o    8.796000      0.2312000       8.878000 0.3281000       8.714000      0.3259000      0.1645000      0.4625000
  1 1 1     -11    2   20 o    4.245000      0.3452000       4.091000 0.5195000       4.399000      0.4547000     -0.3071000      0.6904000
  1 1 1     -11    2   21 o    3.728000      0.4109000       4.059000 0.5364000       3.398000      0.6227000      0.6617000      0.8219000
  1 1 1     -11    2   22 o    7.123000      0.2702000       6.943000 0.3943000       7.302000      0.3694000     -0.3593000      0.5403000
  1 1 1     -11    2   23 o    13.42000      0.2571000       13.21000 0.3634000       13.63000      0.3638000     -0.4195000      0.5142000
  1 1 1     -11    2   24 o    5.732000      0.3150000       5.540000 0.4599000       5.924000      0.4306000     -0.3841000      0.6300000
  1 1 1     -11    2   25 o    3.343000      0.4962000       3.267000 0.7551000       3.419000      0.6440000     -0.1526000      0.9924000
  1 1 1     -11    2   26 o    5.377000      0.3429000       5.388000 0.4974000       5.365000      0.4720000      0.2275000E-01  0.6857000
  1 1 1     -11    2   27 o    7.668000      0.2773000       7.771000 0.4099000       7.564000      0.3736000      0.2074000      0.5546000
  1 1 1     -11    2   28 f    3.882000      0.4894000       3.679000 0.7399000       4.086000      0.6407000     -0.4070000      0.9787000
  1 1 1     -11    2   29 o    1.842000      0.5584000       1.699000 0.7587000       1.986000      0.8196000     -0.2874000       1.117000
  1 1 1     -11    2   30 o    3.564000      0.6868000       4.349000 0.9460000       2.778000      0.9960000       1.570000       1.374000
  1 1 1     -11    2   31 o    10.33000      0.3895000       10.35000 0.5734000       10.32000      0.5274000      0.2658000E-01  0.7790000
  1 1 1     -11    2   32 o    5.786000      0.4100000       5.200000 0.6448000       6.372000      0.5067000      -1.172000      0.8201000
  1 1 1     -11    2   33 o    5.222000      0.6689000       5.165000 0.9514000       5.279000      0.9404000     -0.1137000       1.338000
  1 1 1     -11    2   34 o    4.106000      0.5652000       3.372000 0.9078000       4.840000      0.6736000      -1.468000       1.130000
  1 1 1     -11    2   35 o    3.044000      0.6446000       3.111000 0.9199000       2.978000      0.9033000      0.1330000       1.289000
  1 1 1     -11    3    1 o    14.47000      0.2233000       14.44000 0.3161000       14.49000      0.3155000     -0.5108000E-01  0.4466000
  1 1 1     -11    3    2 o    12.94000      0.2536000       12.88000 0.4108000       13.01000      0.2976000     -0.1237000      0.5073000
  1 1 1     -11    3    3 o    8.848000      0.1792000       8.915000 0.2523000       8.782000      0.2545000      0.1334000      0.3584000
  1 1 1     -11    3    4 o    7.117000      0.1816000       7.030000 0.2480000       7.204000      0.2653000     -0.1735000      0.3632000
  1 1 1     -11    3    5 o    1.244000      0.3669000      0.9847000 0.4565000       1.503000      0.5745000     -0.5179000      0.7338000
  1 1 1     -11    3    6 o    5.392000      0.2106000       5.580000 0.2793000       5.205000      0.3152000      0.3754000      0.4212000
  1 1 1     -11    3    7 o    3.890000      0.2723000       3.814000 0.3725000       3.965000      0.3973000     -0.1505000      0.5446000
  1 1 1     -11    3    8 o    1.228000      0.3798000       1.234000 0.5278000       1.223000      0.5464000      0.1139000E-01  0.7596000
  1 1 1     -11    3    9 o    10.81000      0.2069000       11.20000 0.2904000       10.42000      0.2949000      0.7771000      0.4138000
  1 1 1     -11    3   10 o    9.318000      0.2078000       9.179000 0.2872000       9.456000      0.3003000     -0.2764000      0.4155000
  1 1 1     -11    3   11 o    8.097000      0.2589000       7.694000 0.2956000       8.501000      0.4250000     -0.8066000      0.5177000
  1 1 1     -11    3   12 o    5.758000      0.2369000       5.735000 0.3463000       5.781000      0.3233000     -0.4624000E-01  0.4738000
  1 1 1     -11    3   13 o    3.892000      0.4183000       3.808000 0.5970000       3.976000      0.5862000     -0.1683000      0.8367000
  1 1 1     -11    3   14 o    8.682000      0.2167000       8.400000 0.3095000       8.963000      0.3034000     -0.5632000      0.4334000
  1 1 1     -11    3   15 o    3.393000      0.3544000       3.411000 0.4872000       3.375000      0.5147000      0.3581000E-01  0.7087000
  1 1 1     -11    3   16 o    1.552000      0.4924000       1.503000 0.6789000       1.602000      0.7133000     -0.9866000E-01  0.9848000
  1 1 1     -11    3   17 o    3.680000      0.5437000       4.559000 0.6353000       2.800000      0.8825000       1.760000       1.087000
  1 1 1     -11    3   18 o    8.828000      0.2250000       8.737000 0.3212000       8.919000      0.3152000     -0.1823000      0.4500000
  1 1 1     -11    3   19 o    8.060000      0.2389000       7.976000 0.3465000       8.144000      0.3289000     -0.1685000      0.4777000
  1 1 1     -11    3   20 o    4.760000      0.3251000       5.052000 0.4477000       4.469000      0.4717000      0.5832000      0.6503000
  1 1 1     -11    3   21 o    7.903000      0.2431000       8.219000 0.3404000       7.588000      0.3471000      0.6306000      0.4862000
  1 1 1     -11    3   22 o    6.048000      0.2758000       6.306000 0.3804000       5.791000      0.3996000      0.5149000      0.5516000
  1 1 1     -11    3   23 o    13.33000      0.2558000       13.34000 0.3624000       13.32000      0.3612000      0.2184000E-01  0.5117000
  1 1 1     -11    3   24 o    3.644000      0.5173000       3.421000 0.6863000       3.867000      0.7741000     -0.4464000       1.035000
  1 1 1     -11    3   25 f    4.037000      0.4545000       3.512000 0.7169000       4.561000      0.5587000      -1.049000      0.9089000
  1 1 1     -11    3   26 o    7.293000      0.2994000       7.180000 0.4238000       7.405000      0.4229000     -0.2252000      0.5987000
  1 1 1     -11    3   27 o    5.064000      0.3941000       4.707000 0.6038000       5.421000      0.5065000     -0.7141000      0.7881000
  1 1 1     -11    3   28 o    8.160000      0.3004000       7.943000 0.4361000       8.376000      0.4131000     -0.4336000      0.6007000
  1 1 1     -11    3   29 o    3.757000      0.5343000       4.398000 0.6882000       3.115000      0.8175000       1.283000       1.069000
  1 1 1     -11    3   30 o    3.717000      0.6952000       3.719000 1.021000       3.716000      0.9444000      0.3290000E-02   1.390000
  1 1 1     -11    3   31 o    7.043000      0.3373000       7.297000 0.4792000       6.790000      0.4749000      0.5077000      0.6747000
  1 1 1     -11    3   32 o    6.822000      0.5636000       6.451000 0.8133000       7.194000      0.7805000     -0.7433000       1.127000
  1 1 1     -11    3   33 o    2.269000      0.6960000       2.476000 1.040000       2.061000      0.9251000      0.4144000       1.392000
  1 1 1     -11    3   34 o    1.976000      0.5835000       2.177000 0.8662000       1.776000      0.7822000      0.4010000       1.167000
  1 1 1     -11    3   35 o    2.107000      0.5732000       1.593000 0.7500000       2.622000      0.8671000      -1.029000       1.146000
  1 1 1     -11    4    1 o    12.65000      0.2057000       12.74000 0.2928000       12.55000      0.2890000      0.1864000      0.4114000
  1 1 1     -11    4    2 o    5.275000      0.2002000       5.192000 0.2836000       5.357000      0.2825000     -0.1653000      0.4003000
  1 1 1     -11    4    3 o    8.249000      0.1862000       8.491000 0.2644000       8.006000      0.2622000      0.4844000      0.3724000
  1 1 1     -11    4    4 f    2.580000      0.3521000       2.465000 0.5200000       2.694000      0.4750000     -0.2287000      0.7043000
  1 1 1     -11    4    5 o    10.35000      0.1984000       10.38000 0.2829000       10.32000      0.2782000      0.5928000E-01  0.3967000
  1 1 1     -11    4    6 o    5.581000      0.2045000       5.597000 0.2764000       5.565000      0.3015000      0.3173000E-01  0.4090000
  1 1 1     -11    4    7 o    7.217000      0.1938000       7.026000 0.2709000       7.408000      0.2771000     -0.3813000      0.3875000
  1 1 1     -11    4    8 o    5.712000      0.2140000       5.691000 0.2922000       5.733000      0.3128000     -0.4132000E-01  0.4281000
  1 1 1     -11    4    9 f    13.31000      0.2253000       12.95000 0.3080000       13.68000      0.3288000     -0.7278000      0.4505000
  1 1 1     -11    4   10 o    6.952000      0.2158000       6.634000 0.2881000       7.269000      0.3215000     -0.6348000      0.4317000
  1 1 1     -11    4   11 o    3.655000      0.3403000       3.900000 0.4030000       3.411000      0.5485000      0.4894000      0.6806000
  1 1 1     -11    4   12 o    8.692000      0.3104000       8.370000 0.4125000       9.014000      0.4639000     -0.6440000      0.6208000
  1 1 1     -11    4   13 o    2.547000      0.4662000       2.108000 0.6652000       2.986000      0.6533000     -0.8774000      0.9323000
  1 1 1     -11    4   14 o    6.901000      0.2375000       7.325000 0.3048000       6.478000      0.3643000      0.8473000      0.4750000
  1 1 1     -11    4   15 o    7.322000      0.3361000       7.145000 0.4800000       7.499000      0.4706000     -0.3537000      0.6722000
  1 1 1     -11    4   16 o    3.383000      0.5395000       3.103000 0.7921000       3.663000      0.7328000     -0.5601000       1.079000
  1 1 1     -11    4   17 o    2.727000      0.4784000       2.026000 0.7052000       3.428000      0.6467000      -1.402000      0.9568000
  1 1 1     -11    4   18 o    9.968000      0.2358000       10.03000 0.3185000       9.904000      0.3478000      0.1298000      0.4716000
  1 1 1     -11    4   19 o    6.551000      0.2690000       6.730000 0.3515000       6.373000      0.4073000      0.3563000      0.5380000
  1 1 1     -11    4   20 o    7.127000      0.2807000       7.553000 0.3684000       6.701000      0.4235000      0.8513000      0.5613000
  1 1 1     -11    4   21 o    4.545000      0.4145000       4.071000 0.4997000       5.020000      0.6613000     -0.9498000      0.8289000
  1 1 1     -11    4   22 o    6.550000      0.2718000       6.183000 0.4001000       6.917000      0.3679000     -0.7339000      0.5435000
  1 1 1     -11    4   23 o    5.643000      0.3113000       5.347000 0.4641000       5.939000      0.4151000     -0.5919000      0.6227000
  1 1 1     -11    4   24 o    12.36000      0.3640000       12.36000 0.3640000                  ?              ?              ?              ?
  1 1 1     -11    4   25 o    4.717000      0.3538000       5.017000 0.4794000       4.417000      0.5204000      0.6004000      0.7076000
  1 1 1     -11    4   26 o    6.940000      0.4031000                  ?       ?   6.940000      0.4031000                  ?              ?
  1 1 1     -11    4   27 o    5.571000      0.3613000       5.115000 0.5543000       6.028000      0.4636000     -0.9126000      0.7226000
  1 1 1     -11    4   28 o    7.377000      0.3149000       7.072000 0.4609000       7.681000      0.4291000     -0.6091000      0.6297000
  1 1 1     -11    4   29 o    3.170000      0.6936000       3.248000 0.9959000       3.093000      0.9657000      0.1555000       1.387000
  1 1 1     -11    4   30 o    2.732000      0.5978000       2.162000 0.8549000       3.302000      0.8359000      -1.140000       1.196000
  1 1 1     -11    4   31 o    1.926000      0.5726000       2.019000 0.8187000       1.832000      0.8008000      0.1872000       1.145000
  1 1 1     -11    4   32 o    3.252000      0.7508000       3.687000 1.094000       2.817000       1.029000      0.8701000       1.502000
  1 1 1     -11    4   33 o    4.802000      0.4458000       4.130000 0.7175000       5.473000      0.5292000      -1.343000      0.8915000
  1 1 1     -11    4   34 f    2.999000      0.6048000       3.233000 0.8468000       2.766000      0.8638000      0.4672000       1.210000
  1 1 1     -11    4   35 o    2.211000      0.6093000       2.176000 0.8785000       2.246000      0.8446000     -0.6991000E-01   1.219000
  1 1 1     -11    5    1 f    2.501000      0.3430000       2.689000 0.4431000       2.314000      0.5238000      0.3752000      0.6861000
  1 1 1     -11    5    2 o    5.854000      0.2247000       5.508000 0.3648000       6.201000      0.2625000     -0.6932000      0.4494000
  1 1 1     -11    5    3 o    8.081000      0.1874000       8.136000 0.2644000       8.025000      0.2657000      0.1108000      0.3748000
  1 1 1     -11    5    4 o    9.235000      0.1910000       9.191000 0.2680000       9.278000      0.2723000     -0.8685000E-01  0.3821000
  1 1 1     -11    5    5 o    14.76000      0.3280000       14.40000 0.4521000       15.12000      0.4753000     -0.7107000      0.6560000
  1 1 1     -11    5    6 o    19.49000      0.2878000       19.77000 0.4125000       19.21000      0.4015000      0.5555000      0.5756000
  1 1 1     -11    5    7 o    10.39000      0.2070000       10.44000 0.2947000       10.33000      0.2908000      0.1047000      0.4140000
  1 1 1     -11    5    8 o    6.789000      0.2170000       6.607000 0.3076000       6.971000      0.3063000     -0.3637000      0.4341000
  1 1 1     -11    5    9 o    6.581000      0.2162000       6.723000 0.2844000       6.438000      0.3257000      0.2851000      0.4324000
  1 1 1     -11    5   10 o    1.986000      0.4370000       1.467000 0.5894000       2.505000      0.6454000      -1.037000      0.8740000
  1 1 1     -11    5   11 o    10.82000      0.3106000       10.45000 0.4176000       11.18000      0.4598000     -0.7287000      0.6212000
  1 1 1     -11    5   12 o    8.769000      0.2183000       9.266000 0.2969000       8.271000      0.3200000      0.9949000      0.4365000
  1 1 1     -11    5   13 o    1.908000      0.4796000       2.073000 0.6642000       1.743000      0.6920000      0.3299000      0.9592000
  1 1 1     -11    5   14 o    10.17000      0.3105000       10.40000 0.4347000       9.942000      0.4436000      0.4605000      0.6211000
  1 1 1     -11    5   15 o    13.41000      0.3396000       12.91000 0.4696000       13.91000      0.4907000     -0.9946000      0.6793000
  1 1 1     -11    5   16 o    2.539000      0.4940000       2.593000 0.6743000       2.486000      0.7220000      0.1060000      0.9879000
  1 1 1     -11    5   17 o    3.962000      0.3849000       4.445000 0.4353000       3.480000      0.6350000      0.9656000      0.7699000
  1 1 1     -11    5   18 o    6.162000      0.2721000       6.687000 0.3504000       5.637000      0.4164000       1.050000      0.5442000
  1 1 1     -11    5   19 o    7.842000      0.2529000       8.173000 0.3379000       7.511000      0.3765000      0.6625000      0.5058000
  1 1 1     -11    5   20 o    4.340000      0.3935000       5.323000 0.4032000       3.357000      0.6758000       1.966000      0.7870000
  1 1 1     -11    5   21 o    5.172000      0.3367000       4.697000 0.4760000       5.647000      0.4763000     -0.9500000      0.6734000
  1 1 1     -11    5   22 o    13.26000      0.2598000       13.53000 0.3575000       12.99000      0.3770000      0.5374000      0.5195000
  1 1 1     -11    5   23 o    5.257000      0.3461000       4.984000 0.4646000       5.531000      0.5132000     -0.5476000      0.6923000
  1 1 1     -11    5   24 o    10.73000      0.3184000       11.43000 0.3585000       10.03000      0.5262000       1.401000      0.6367000
  1 1 1     -11    5   25 o    6.463000      0.3190000       6.038000 0.4373000       6.888000      0.4646000     -0.8497000      0.6380000
  1 1 1     -11    5   26 o    6.250000      0.5225000                  ?       ?   6.250000      0.5225000                  ?              ?
  1 1 1     -11    5   27 o    6.030000      0.3826000       5.790000 0.5144000       6.271000      0.5666000     -0.4805000      0.7653000
  1 1 1     -11    5   28 o    2.669000      0.6967000       3.228000 1.002000       2.109000      0.9684000       1.119000       1.393000
  1 1 1     -11    5   29 o    5.277000      0.4395000       5.053000 0.6245000       5.501000      0.6185000     -0.4476000      0.8789000
  1 1 1     -11    5   30 o    5.786000      0.4279000       5.702000 0.5489000       5.871000      0.6566000     -0.1687000      0.8558000
  1 1 1     -11    5   31 o    3.853000      0.7358000       4.416000 0.9721000       3.290000       1.105000       1.126000       1.472000
  1 1 1     -11    5   32 o    2.284000      0.6362000       2.152000 0.8639000       2.416000      0.9340000     -0.2641000       1.272000
  1 1 1     -11    5   33 o    3.528000      0.5993000       3.978000 0.7731000       3.077000      0.9160000      0.9017000       1.199000
  1 1 1     -11    5   34 o    2.021000      0.5925000       1.835000 0.8046000       2.207000      0.8698000     -0.3718000       1.185000
  1 1 1     -11    6    1 o    4.648000      0.2152000       4.586000 0.3141000       4.710000      0.2942000     -0.1238000      0.4303000
  1 1 1     -11    6    2 o    6.264000      0.1952000       6.102000 0.2821000       6.426000      0.2698000     -0.3246000      0.3904000
  1 1 1     -11    6    3 o    6.064000      0.1932000       6.082000 0.2732000       6.046000      0.2732000      0.3616000E-01  0.3864000
  1 1 1     -11    6    4 o    7.562000      0.1917000       7.615000 0.2685000       7.508000      0.2736000      0.1067000      0.3834000
  1 1 1     -11    6    5 o    11.07000      0.2035000       11.10000 0.2870000       11.03000      0.2887000      0.6655000E-01  0.4071000
  1 1 1     -11    6    6 o    10.84000      0.2094000       10.98000 0.3010000       10.70000      0.2913000      0.2803000      0.4189000
  1 1 1     -11    6    7 o    3.948000      0.2905000       4.347000 0.3817000       3.548000      0.4380000      0.7998000      0.5810000
  1 1 1     -11    6    8 o    3.229000      0.3556000       2.951000 0.5355000       3.506000      0.4681000     -0.5550000      0.7112000
  1 1 1     -11    6    9 o    5.163000      0.3370000       5.680000 0.3423000       4.647000      0.5805000       1.033000      0.6740000
  1 1 1     -11    6   10 o    5.345000      0.3997000       6.234000 0.4492000       4.457000      0.6613000       1.776000      0.7995000
  1 1 1     -11    6   11 o    1.523000      0.4604000       1.556000 0.6680000       1.490000      0.6339000      0.6605000E-01  0.9209000
  1 1 1     -11    6   12 o    6.006000      0.2389000       5.923000 0.3134000       6.088000      0.3606000     -0.1650000      0.4778000
  1 1 1     -11    6   13 f    3.836000      0.4647000       4.262000 0.5656000       3.411000      0.7374000      0.8501000      0.9293000
  1 1 1     -11    6   14 o    3.576000      0.4659000       4.003000 0.4715000       3.149000      0.8038000      0.8533000      0.9318000
  1 1 1     -11    6   15 o    5.370000      0.2782000       5.485000 0.3628000       5.256000      0.4218000      0.2294000      0.5564000
  1 1 1     -11    6   16 o    3.610000      0.4056000       3.404000 0.5660000       3.817000      0.5810000     -0.4130000      0.8111000
  1 1 1     -11    6   17 o    5.056000      0.3098000       5.203000 0.3843000       4.909000      0.4859000      0.2935000      0.6195000
  1 1 1     -11    6   18 o    3.256000      0.4450000       3.074000 0.6059000       3.437000      0.6518000     -0.3631000      0.8900000
  1 1 1     -11    6   19 o    4.680000      0.3512000       4.394000 0.4901000       4.965000      0.5032000     -0.5708000      0.7025000
  1 1 1     -11    6   20 o    8.022000      0.2525000       7.981000 0.3434000       8.064000      0.3702000     -0.8283000E-01  0.5049000
  1 1 1     -11    6   21 o    2.208000      0.5243000       2.656000 0.7340000       1.760000      0.7490000      0.8965000       1.049000
  1 1 1     -11    6   22 o    7.328000      0.2784000       7.597000 0.3643000       7.059000      0.4211000      0.5381000      0.5568000
  1 1 1     -11    6   23 o    8.276000      0.2759000       7.712000 0.3784000       8.839000      0.4017000      -1.128000      0.5518000
  1 1 1     -11    6   24 o    6.946000      0.3166000       7.085000 0.3965000       6.808000      0.4936000      0.2767000      0.6332000
  1 1 1     -11    6   25 o    15.56000      0.2882000       15.45000 0.3925000       15.66000      0.4221000     -0.2096000      0.5763000
  1 1 1     -11    6   26 f    1.720000      0.5430000       1.834000 0.7915000       1.607000      0.7435000      0.2267000       1.086000
  1 1 1     -11    6   27 o    3.535000      0.7476000       3.066000 0.9521000       4.004000       1.153000     -0.9379000       1.495000
  1 1 1     -11    6   28 o    6.924000      0.3621000       6.511000 0.5163000       7.338000      0.5079000     -0.8268000      0.7243000
  1 1 1     -11    6   29 o    5.558000      0.4200000       5.007000 0.6091000       6.109000      0.5783000      -1.103000      0.8399000
  1 1 1     -11    6   30 o    6.786000      0.5284000       6.057000 0.7564000       7.516000      0.7380000      -1.459000       1.057000
  1 1 1     -11    6   31 o    5.339000      0.4800000       4.932000 0.6773000       5.746000      0.6803000     -0.8146000      0.9600000
  1 1 1     -11    6   32 o    2.697000      0.6578000       2.651000 0.9116000       2.742000      0.9486000     -0.9137000E-01   1.316000
  1 1 1     -11    6   33 o    2.077000      0.5980000       1.876000 0.8242000       2.279000      0.8666000     -0.4024000       1.196000
  1 1 1     -11    6   34 o    3.483000      0.5657000       4.359000 0.7157000       2.607000      0.8763000       1.752000       1.131000
  1 1 1     -11    7    1 o    4.884000      0.2099000       4.994000 0.2969000       4.774000      0.2967000      0.2197000      0.4197000
  1 1 1     -11    7    2 o    8.663000      0.1861000       8.571000 0.2643000       8.755000      0.2620000     -0.1842000      0.3722000
  1 1 1     -11    7    3 o    6.429000      0.1958000       6.526000 0.2799000       6.332000      0.2739000      0.1940000      0.3916000
  1 1 1     -11    7    4 o    10.48000      0.1998000       10.59000 0.2869000       10.37000      0.2780000      0.2164000      0.3995000
  1 1 1     -11    7    5 o    4.653000      0.2482000       4.654000 0.3519000       4.652000      0.3500000      0.1136000E-02  0.4963000
  1 1 1     -11    7    6 o    8.450000      0.2026000       8.222000 0.2900000       8.679000      0.2830000     -0.4570000      0.4052000
  1 1 1     -11    7    7 o    9.672000      0.2048000       9.876000 0.2911000       9.468000      0.2881000      0.4075000      0.4096000
  1 1 1     -11    7    8 o    4.435000      0.3858000       4.186000 0.5087000       4.683000      0.5803000     -0.4975000      0.7716000
  1 1 1     -11    7    9 o    9.457000      0.2980000       9.699000 0.4013000       9.215000      0.4407000      0.4839000      0.5961000
  1 1 1     -11    7   10 o    8.177000      0.2227000       8.554000 0.3057000       7.800000      0.3240000      0.7537000      0.4455000
  1 1 1     -11    7   11 o    4.411000      0.3189000       4.581000 0.4395000       4.240000      0.4623000      0.3410000      0.6378000
  1 1 1     -11    7   12 o    9.485000      0.3256000       9.523000 0.4975000       9.447000      0.4202000      0.7533000E-01  0.6512000
  1 1 1     -11    7   13 o    7.553000      0.2517000       7.509000 0.3623000       7.597000      0.3495000     -0.8824000E-01  0.5034000
  1 1 1     -11    7   14 o    3.534000      0.3944000       2.853000 0.6236000       4.215000      0.4831000      -1.362000      0.7889000
  1 1 1     -11    7   15 o    3.840000      0.3650000       3.684000 0.5053000       3.997000      0.5269000     -0.3133000      0.7300000
  1 1 1     -11    7   16 o    5.206000      0.3124000       5.508000 0.3853000       4.903000      0.4918000      0.6052000      0.6247000
  1 1 1     -11    7   17 o    2.347000      0.4885000       2.801000 0.6400000       1.892000      0.7382000      0.9087000      0.9770000
  1 1 1     -11    7   18 o    5.774000      0.2954000       5.698000 0.3892000       5.851000      0.4445000     -0.1527000      0.5908000
  1 1 1     -11    7   19 o    2.860000      0.5129000       2.706000 0.6867000       3.013000      0.7620000     -0.3071000       1.026000
  1 1 1     -11    7   20 o    6.122000      0.2899000       6.292000 0.3880000       5.953000      0.4308000      0.3389000      0.5798000
  1 1 1     -11    7   21 o    10.71000      0.2559000       10.83000 0.3470000       10.58000      0.3762000      0.2517000      0.5118000
  1 1 1     -11    7   22 o    7.495000      0.2758000       7.262000 0.3638000       7.727000      0.4145000     -0.4653000      0.5515000
  1 1 1     -11    7   23 o    7.334000      0.2997000       6.731000 0.4082000       7.937000      0.4388000      -1.206000      0.5994000
  1 1 1     -11    7   24 o    1.588000      0.5072000       1.542000 0.6901000       1.635000      0.7436000     -0.9247000E-01   1.014000
  1 1 1     -11    7   25 o    9.256000      0.2894000       9.308000 0.3864000       9.204000      0.4308000      0.1034000      0.5787000
  1 1 1     -11    7   26 o    5.289000      0.5824000       5.080000 0.7230000       5.498000      0.9131000     -0.4177000       1.165000
  1 1 1     -11    7   27 o    8.774000      0.3112000       8.254000 0.4104000       9.293000      0.4680000      -1.039000      0.6224000
  1 1 1     -11    7   28 o    4.671000      0.4875000       4.322000 0.6814000       5.021000      0.6974000     -0.6989000      0.9750000
  1 1 1     -11    7   29 o    4.194000      0.7558000       4.150000 1.057000       4.238000       1.081000     -0.8742000E-01   1.512000
  1 1 1     -11    7   30 o    3.656000      0.6015000       2.774000 0.9161000       4.538000      0.7799000      -1.764000       1.203000
  1 1 1     -11    7   31 o    5.226000      0.4571000       5.962000 0.5273000       4.490000      0.7468000       1.472000      0.9142000
  1 1 1     -11    7   32 f    4.076000      0.5662000       4.422000 0.7290000       3.730000      0.8665000      0.6919000       1.132000
  1 1 1     -11    7   33 o    3.922000      0.5789000       4.138000 0.7921000       3.706000      0.8444000      0.4323000       1.158000
  1 1 1     -11    7   34 f    3.891000      0.5580000       5.034000 0.6319000       2.748000      0.9199000       2.286000       1.116000
  1 1 1     -11    8    1 f    7.120000      0.1847000       7.042000 0.2641000       7.197000      0.2584000     -0.1553000      0.3695000
  1 1 1     -11    8    2 o    8.762000      0.1873000       8.543000 0.2641000       8.982000      0.2656000     -0.4393000      0.3745000
  1 1 1     -11    8    3 o    11.88000      0.2068000       12.03000 0.2957000       11.73000      0.2891000      0.3051000      0.4136000
  1 1 1     -11    8    4 f    6.614000      0.1996000       6.579000 0.2864000       6.650000      0.2782000     -0.7146000E-01  0.3993000
  1 1 1     -11    8    5 o    10.62000      0.2056000       10.44000 0.2914000       10.80000      0.2900000     -0.3545000      0.4111000
  1 1 1     -11    8    6 o    4.555000      0.3653000       4.403000 0.4951000       4.708000      0.5373000     -0.3048000      0.7306000
  1 1 1     -11    8    7 o    8.280000      0.2889000       8.065000 0.3900000       8.495000      0.4263000     -0.4294000      0.5778000
  1 1 1     -11    8    8 o    1.963000      0.4528000       1.662000 0.6610000       2.265000      0.6190000     -0.6026000      0.9056000
  1 1 1     -11    8    9 o    9.342000      0.2134000       9.219000 0.3056000       9.466000      0.2980000     -0.2467000      0.4269000
  1 1 1     -11    8   10 o    2.541000      0.5880000       3.031000 0.8948000       2.052000      0.7633000      0.9782000       1.176000
  1 1 1     -11    8   11 o    6.654000      0.3623000       7.364000 0.5421000       5.945000      0.4809000       1.419000      0.7247000
  1 1 1     -11    8   12 o    14.09000      0.2519000       14.12000 0.3600000       14.05000      0.3524000      0.7176000E-01  0.5038000
  1 1 1     -11    8   13 o    7.573000      0.2477000       7.561000 0.3540000       7.585000      0.3465000     -0.2408000E-01  0.4953000
  1 1 1     -11    8   14 o    9.239000      0.2403000       9.770000 0.3349000       8.707000      0.3448000       1.064000      0.4806000
  1 1 1     -11    8   15 o    5.698000      0.2927000       5.756000 0.3963000       5.640000      0.4310000      0.1155000      0.5855000
  1 1 1     -11    8   16 o    2.520000      0.4946000       2.855000 0.6051000       2.184000      0.7825000      0.6709000      0.9892000
  1 1 1     -11    8   17 o    6.932000      0.2582000       6.283000 0.3514000       7.581000      0.3783000      -1.298000      0.5163000
  1 1 1     -11    8   18 o    11.48000      0.2429000       11.37000 0.3280000       11.60000      0.3584000     -0.2248000      0.4859000
  1 1 1     -11    8   19 o    3.248000      0.4840000       3.029000 0.6657000       3.467000      0.7026000     -0.4375000      0.9679000
  1 1 1     -11    8   20 o    7.467000      0.2653000       7.464000 0.3520000       7.470000      0.3970000     -0.5886000E-02  0.5306000
  1 1 1     -11    8   21 o    5.125000      0.3658000       5.664000 0.4097000       4.587000      0.6062000       1.077000      0.7317000
  1 1 1     -11    8   22 o    7.373000      0.3342000       7.216000 0.3753000       7.530000      0.5532000     -0.3137000      0.6685000
  1 1 1     -11    8   23 o    8.265000      0.2972000       8.562000 0.3865000       7.969000      0.4516000      0.5928000      0.5945000
  1 1 1     -11    8   24 o    10.37000      0.2726000       10.50000 0.3602000       10.24000      0.4092000      0.2561000      0.5452000
  1 1 1     -11    8   25 o    10.68000      0.5145000       10.68000 0.5145000                  ?              ?              ?              ?
  1 1 1     -11    8   26 o    3.088000      0.6110000       2.724000 0.8395000       3.452000      0.8879000     -0.7280000       1.222000
  1 1 1     -11    8   27 o    8.885000      0.3963000       7.852000 0.6457000       9.919000      0.4598000      -2.067000      0.7926000
  1 1 1     -11    8   28 o    3.861000      0.7087000       2.761000 1.060000       4.960000      0.9411000      -2.199000       1.417000
  1 1 1     -11    8   29 o    2.053000      0.5994000       1.545000 0.7185000       2.561000      0.9597000      -1.016000       1.199000
  1 1 1     -11    8   30 o    2.962000      0.6245000       3.517000 0.8073000       2.406000      0.9530000       1.111000       1.249000
  1 1 1     -11    8   31 o    3.111000      0.6651000       3.336000 0.9179000       2.885000      0.9629000      0.4512000       1.330000
  1 1 1     -11    8   32 o    2.764000      0.6104000       2.224000 0.8880000       3.304000      0.8378000      -1.080000       1.221000
  1 1 1     -11    8   33 o    3.756000      0.5879000       3.753000 0.8242000       3.760000      0.8386000     -0.7553000E-02   1.176000
  1 1 1     -11    9    1 o    6.654000      0.1895000       6.606000 0.2717000       6.702000      0.2644000     -0.9553000E-01  0.3791000
  1 1 1     -11    9    2 o    6.563000      0.1926000       6.440000 0.2790000       6.685000      0.2655000     -0.2446000      0.3851000
  1 1 1     -11    9    3 o    15.72000      0.2442000       15.93000 0.3506000       15.50000      0.3400000      0.4355000      0.4884000
  1 1 1     -11    9    4 o    7.761000      0.2014000       7.762000 0.2891000       7.761000      0.2806000      0.3352000E-03  0.4028000
  1 1 1     -11    9    5 o    7.674000      0.2734000       7.508000 0.3679000       7.840000      0.4044000     -0.3324000      0.5467000
  1 1 1     -11    9    6 o    11.43000      0.2507000       11.05000 0.3985000       11.81000      0.3043000     -0.7678000      0.5014000
  1 1 1     -11    9    7 f    8.344000      0.2101000       8.417000 0.2975000       8.272000      0.2967000      0.1454000      0.4202000
  1 1 1     -11    9    8 o    4.831000      0.2515000       5.028000 0.3331000       4.634000      0.3769000      0.3945000      0.5030000
  1 1 1     -11    9    9 o    1.721000      0.5245000       2.130000 0.8573000       1.313000      0.6044000      0.8165000       1.049000
  1 1 1     -11    9   10 o    8.877000      0.2272000       9.042000 0.3242000       8.712000      0.3185000      0.3299000      0.4545000
  1 1 1     -11    9   11 o    2.606000      0.4658000       3.145000 0.6115000       2.066000      0.7029000       1.079000      0.9316000
  1 1 1     -11    9   12 o    6.542000      0.2607000       6.628000 0.3712000       6.457000      0.3662000      0.1706000      0.5215000
  1 1 1     -11    9   13 o    3.629000      0.3932000       3.833000 0.5235000       3.425000      0.5868000      0.4088000      0.7863000
  1 1 1     -11    9   14 o    11.20000      0.2389000       11.28000 0.3359000       11.12000      0.3399000      0.1611000      0.4779000
  1 1 1     -11    9   15 o    3.498000      0.4344000       3.060000 0.6711000       3.936000      0.5516000     -0.8762000      0.8687000
  1 1 1     -11    9   16 o    6.102000      0.2994000       5.769000 0.4284000       6.436000      0.4183000     -0.6669000      0.5988000
  1 1 1     -11    9   17 o    6.821000      0.2806000       6.857000 0.3940000       6.786000      0.3997000      0.7044000E-01  0.5613000
  1 1 1     -11    9   18 o    9.371000      0.2927000       9.015000 0.4590000       9.728000      0.3634000     -0.7129000      0.5855000
  1 1 1     -11    9   19 o    5.666000      0.3064000       5.823000 0.3954000       5.508000      0.4680000      0.3153000      0.6127000
  1 1 1     -11    9   20 o    4.109000      0.4229000       4.477000 0.4741000       3.741000      0.7006000      0.7364000      0.8459000
  1 1 1     -11    9   21 o    3.336000      0.5031000       3.666000 0.6015000       3.005000      0.8067000      0.6608000       1.006000
  1 1 1     -11    9   22 o    4.198000      0.4573000       4.088000 0.5875000       4.309000      0.7009000     -0.2209000      0.9146000
  1 1 1     -11    9   23 o    2.560000      0.5624000       2.965000 0.7466000       2.156000      0.8414000      0.8087000       1.125000
  1 1 1     -11    9   24 o    3.033000      0.6829000       3.447000 0.8649000       2.618000       1.057000      0.8290000       1.366000
  1 1 1     -11    9   25 o    5.596000      0.5035000       5.596000 0.5035000                  ?              ?              ?              ?
  1 1 1     -11    9   26 o    6.309000      0.3716000       6.078000 0.4896000       6.540000      0.5591000     -0.4619000      0.7431000
  1 1 1     -11    9   27 o    7.703000      0.6989000                  ?       ?   7.703000      0.6989000                  ?              ?
  1 1 1     -11    9   28 o    6.943000      0.3729000       6.905000 0.4690000       6.981000      0.5798000     -0.7655000E-01  0.7457000
  1 1 1     -11    9   29 f    4.811000      0.5041000       4.061000 0.7650000       5.560000      0.6566000      -1.498000       1.008000
  1 1 1     -11    9   30 o    3.012000      0.6361000       2.689000 0.8833000       3.336000      0.9155000     -0.6473000       1.272000
  1 1 1     -11    9   31 o    1.867000      0.5814000       1.972000 0.8446000       1.763000      0.7992000      0.2095000       1.163000
  1 1 1     -11    9   32 o    2.285000      0.6102000       2.067000 0.8482000       2.502000      0.8775000     -0.4350000       1.220000
  1 1 1     -11    9   33 o    2.664000      0.5641000       1.719000 0.7833000       3.610000      0.8120000      -1.891000       1.128000
  1 1 1     -11   10    1 o    5.764000      0.2023000       5.592000 0.2961000       5.935000      0.2756000     -0.3430000      0.4045000
  1 1 1     -11   10    2 o    6.993000      0.2376000       7.080000 0.2781000       6.907000      0.3853000      0.1723000      0.4752000
  1 1 1     -11   10    3 o    14.38000      0.3183000       14.58000 0.4485000       14.19000      0.4517000      0.3895000      0.6365000
  1 1 1     -11   10    4 o    6.056000      0.2414000       6.110000 0.3838000       6.001000      0.2928000      0.1090000      0.4827000
  1 1 1     -11   10    5 o    7.041000      0.2115000       7.288000 0.2950000       6.794000      0.3032000      0.4936000      0.4230000
  1 1 1     -11   10    6 o    10.67000      0.2118000       10.67000 0.3015000       10.67000      0.2975000      0.1649000E-02  0.4236000
  1 1 1     -11   10    7 o    3.709000      0.4913000       4.130000 0.7415000       3.288000      0.6446000      0.8418000      0.9826000
  1 1 1     -11   10    8 o    3.053000      0.5726000       3.406000 0.8198000       2.700000      0.7996000      0.7065000       1.145000
  1 1 1     -11   10    9 o    3.554000      0.3725000       3.584000 0.4984000       3.524000      0.5536000      0.6053000E-01  0.7449000
  1 1 1     -11   10   10 o    5.898000      0.2593000       5.861000 0.3661000       5.934000      0.3675000     -0.7344000E-01  0.5187000
  1 1 1     -11   10   11 o    4.475000      0.3214000       4.654000 0.4417000       4.296000      0.4670000      0.3584000      0.6428000
  1 1 1     -11   10   12 o    1.429000      0.4432000       1.136000 0.5426000       1.721000      0.7010000     -0.5851000      0.8865000
  1 1 1     -11   10   13 f    2.034000      0.4873000       1.428000 0.6372000       2.639000      0.7374000      -1.211000      0.9746000
  1 1 1     -11   10   14 o    6.780000      0.2630000       6.784000 0.3586000       6.777000      0.3849000      0.7015000E-02  0.5261000
  1 1 1     -11   10   15 o    3.066000      0.4773000       2.887000 0.6713000       3.246000      0.6788000     -0.3589000      0.9547000
  1 1 1     -11   10   16 o    2.263000      0.5224000       1.713000 0.7179000       2.814000      0.7590000      -1.101000       1.045000
  1 1 1     -11   10   17 o    5.739000      0.3130000       5.564000 0.4541000       5.914000      0.4309000     -0.3500000      0.6260000
  1 1 1     -11   10   18 o    8.125000      0.2736000       7.879000 0.3853000       8.371000      0.3886000     -0.4923000      0.5472000
  1 1 1     -11   10   19 o    3.797000      0.4678000       3.351000 0.7204000       4.242000      0.5968000     -0.8904000      0.9355000
  1 1 1     -11   10   20 o    1.521000      0.4971000       1.514000 0.7056000       1.529000      0.7003000     -0.1472000E-01  0.9941000
  1 1 1     -11   10   21 o    3.319000      0.5136000       3.435000 0.6199000       3.203000      0.8190000      0.2318000       1.027000
  1 1 1     -11   10   22 f    5.762000      0.3159000       5.224000 0.4290000       6.300000      0.4638000      -1.077000      0.6318000
  1 1 1     -11   10   23 o    3.022000      0.7068000       3.235000 0.9259000       2.810000       1.068000      0.4241000       1.414000
  1 1 1     -11   10   24 o    5.619000      0.3523000       5.079000 0.4812000       6.158000      0.5148000      -1.078000      0.7047000
  1 1 1     -11   10   25 o    5.026000      0.4018000       4.590000 0.5797000       5.462000      0.5564000     -0.8723000      0.8035000
  1 1 1     -11   10   26 o    3.060000      0.7362000       3.574000 1.022000       2.545000       1.060000       1.029000       1.472000
  1 1 1     -11   10   27 o    2.939000      0.6358000       3.203000 0.8438000       2.674000      0.9514000      0.5287000       1.272000
  1 1 1     -11   10   28 o    2.724000      0.6474000       2.356000 0.8525000       3.093000      0.9746000     -0.7367000       1.295000
  1 1 1     -11   10   29 o    2.369000      0.6328000       2.656000 0.8954000       2.082000      0.8944000      0.5737000       1.266000
  1 1 1     -11   10   30 o    1.873000      0.5705000       1.431000 0.6784000       2.315000      0.9174000     -0.8847000       1.141000
  1 1 1     -11   10   31 o    2.530000      0.6564000       2.342000 0.9167000       2.719000      0.9397000     -0.3772000       1.313000
  1 1 1     -11   10   32 o    4.361000      0.5152000       4.297000 0.7560000       4.425000      0.7001000     -0.1289000       1.030000
  1 1 1     -11   11    1 o    5.777000      0.2623000       6.038000 0.3528000       5.515000      0.3882000      0.5225000      0.5246000
  1 1 1     -11   11    2 o    2.163000      0.4228000       2.049000 0.6075000       2.276000      0.5882000     -0.2276000      0.8455000
  1 1 1     -11   11    3 f    5.463000      0.2157000       5.535000 0.3042000       5.390000      0.3059000      0.1449000      0.4314000
  1 1 1     -11   11    4 o    2.247000      0.4342000       2.158000 0.6229000       2.336000      0.6050000     -0.1788000      0.8683000
  1 1 1     -11   11    5 o    5.280000      0.3844000       4.366000 0.6346000       6.194000      0.4341000      -1.828000      0.7689000
  1 1 1     -11   11    6 o    4.633000      0.4293000       4.361000 0.6985000       4.905000      0.4994000     -0.5438000      0.8586000
  1 1 1     -11   11    7 o    7.352000      0.2216000       7.056000 0.3194000       7.648000      0.3074000     -0.5922000      0.4433000
  1 1 1     -11   11    8 o    6.688000      0.2319000       6.545000 0.3354000       6.830000      0.3204000     -0.2847000      0.4638000
  1 1 1     -11   11    9 o    8.009000      0.2224000       8.118000 0.3182000       7.901000      0.3107000      0.2165000      0.4447000
  1 1 1     -11   11   10 o    2.876000      0.4481000       3.269000 0.5519000       2.484000      0.7061000      0.7846000      0.8962000
  1 1 1     -11   11   11 o    8.988000      0.2309000       8.801000 0.3314000       9.176000      0.3215000     -0.3745000      0.4618000
  1 1 1     -11   11   12 o    3.488000      0.4038000       3.507000 0.5331000       3.470000      0.6066000      0.3695000E-01  0.8076000
  1 1 1     -11   11   13 o    5.701000      0.2826000       5.585000 0.4186000       5.818000      0.3798000     -0.2327000      0.5653000
  1 1 1     -11   11   14 o    5.916000      0.2769000       5.522000 0.4078000       6.310000      0.3746000     -0.7887000      0.5537000
  1 1 1     -11   11   15 o    5.039000      0.3226000       4.903000 0.4482000       5.175000      0.4642000     -0.2715000      0.6453000
  1 1 1     -11   11   16 o    11.41000      0.3070000       11.81000 0.3606000       11.01000      0.4969000      0.8032000      0.6139000
  1 1 1     -11   11   17 o    8.999000      0.2608000       8.716000 0.3714000       9.282000      0.3662000     -0.5665000      0.5216000
  1 1 1     -11   11   18 o    14.32000      0.2720000       14.63000 0.3900000       14.01000      0.3792000      0.6123000      0.5439000
  1 1 1     -11   11   19 o    5.714000      0.3449000       5.938000 0.4651000       5.491000      0.5095000      0.4465000      0.6898000
  1 1 1     -11   11   20 o    4.798000      0.4036000       4.752000 0.5818000       4.844000      0.5596000     -0.9252000E-01  0.8072000
  1 1 1     -11   11   21 o    2.366000      0.6655000       2.002000 0.8471000       2.729000       1.026000     -0.7270000       1.331000
  1 1 1     -11   11   22 o    5.747000      0.4825000       5.542000 0.5775000       5.953000      0.7730000     -0.4104000      0.9649000
  1 1 1     -11   11   23 o    6.003000      0.3464000       5.597000 0.4617000       6.410000      0.5166000     -0.8135000      0.6928000
  1 1 1     -11   11   24 o    2.915000      0.6542000       2.813000 1.015000       3.018000      0.8260000     -0.2055000       1.308000
  1 1 1     -11   11   25 o    8.732000      0.4187000       8.433000 0.5856000       9.030000      0.5986000     -0.5969000      0.8374000
  1 1 1     -11   11   26 o    3.307000      0.6127000       3.427000 0.7909000       3.186000      0.9361000      0.2405000       1.225000
  1 1 1     -11   11   27 o    5.185000      0.4557000       4.865000 0.6374000       5.504000      0.6515000     -0.6394000      0.9114000
  1 1 1     -11   11   28 o    1.851000      0.5758000       1.898000 0.8060000       1.805000      0.8224000      0.9287000E-01   1.152000
  1 1 1     -11   11   29 o    2.522000      0.6083000       1.783000 0.7656000       3.262000      0.9454000      -1.479000       1.217000
  1 1 1     -11   11   30 o    3.420000      0.6009000       2.873000 0.8788000       3.967000      0.8198000      -1.095000       1.202000
  1 1 1     -11   11   31 o    2.534000      0.6508000       2.193000 0.8877000       2.875000      0.9520000     -0.6819000       1.302000
  1 1 1     -11   12    1 o    10.88000      0.1987000       10.79000 0.2848000       10.96000      0.2773000     -0.1737000      0.3975000
  1 1 1     -11   12    2 o    1.863000      0.5222000       1.770000 0.7491000       1.955000      0.7279000     -0.1841000       1.044000
  1 1 1     -11   12    3 o    3.355000      0.5003000       3.544000 0.7668000       3.166000      0.6429000      0.3781000       1.001000
  1 1 1     -11   12    4 f    4.286000      0.2839000       4.600000 0.3798000       3.973000      0.4221000      0.6268000      0.5678000
  1 1 1     -11   12    5 o    4.037000      0.3092000       4.405000 0.3967000       3.669000      0.4743000      0.7360000      0.6183000
  1 1 1     -11   12    6 o    2.220000      0.4249000       1.594000 0.6305000       2.847000      0.5698000      -1.252000      0.8498000
  1 1 1     -11   12    7 o    6.354000      0.2342000       6.317000 0.3319000       6.391000      0.3304000     -0.7433000E-01  0.4683000
  1 1 1     -11   12    8 o    5.211000      0.2640000       5.138000 0.3847000       5.284000      0.3618000     -0.1465000      0.5281000
  1 1 1     -11   12    9 o    9.171000      0.2192000       9.040000 0.3136000       9.303000      0.3063000     -0.2630000      0.4383000
  1 1 1     -11   12   10 o    7.589000      0.2318000       7.625000 0.3300000       7.553000      0.3256000      0.7202000E-01  0.4636000
  1 1 1     -11   12   11 o    7.967000      0.2337000       7.803000 0.3365000       8.132000      0.3245000     -0.3296000      0.4674000
  1 1 1     -11   12   12 o    2.672000      0.4802000       2.234000 0.7067000       3.109000      0.6504000     -0.8748000      0.9605000
  1 1 1     -11   12   13 o    5.484000      0.2893000       5.896000 0.3970000       5.072000      0.4210000      0.8243000      0.5786000
  1 1 1     -11   12   14 o    11.91000      0.2419000       11.86000 0.3428000       11.95000      0.3415000     -0.9392000E-01  0.4839000
  1 1 1     -11   12   15 o    12.80000      0.2523000       12.75000 0.3582000       12.84000      0.3553000     -0.8446000E-01  0.5045000
  1 1 1     -11   12   16 o    10.39000      0.2506000       10.40000 0.3591000       10.39000      0.3497000      0.1279000E-01  0.5013000
  1 1 1     -11   12   17 f    7.027000      0.2927000       6.719000 0.4121000       7.334000      0.4159000     -0.6148000      0.5855000
  1 1 1     -11   12   18 o    13.72000      0.2724000       13.94000 0.3893000       13.49000      0.3810000      0.4481000      0.5448000
  1 1 1     -11   12   19 o    4.734000      0.4038000       4.251000 0.5999000       5.217000      0.5407000     -0.9661000      0.8076000
  1 1 1     -11   12   20 o    2.803000      0.6720000       2.765000 0.8609000       2.840000       1.032000     -0.7524000E-01   1.344000
  1 1 1     -11   12   21 o    5.251000      0.4037000       5.435000 0.5159000       5.066000      0.6211000      0.3695000      0.8074000
  1 1 1     -11   12   22 o    7.716000      0.3189000       7.726000 0.4531000       7.707000      0.4489000      0.1828000E-01  0.6378000
  1 1 1     -11   12   23 o    5.044000      0.7742000       5.651000 1.137000       4.437000       1.051000       1.215000       1.548000
  1 1 1     -11   12   24 o    1.809000      0.5777000       1.323000 0.6148000       2.294000      0.9784000     -0.9713000       1.155000
  1 1 1     -11   12   25 o    4.078000      0.5276000       4.570000 0.5764000       3.587000      0.8838000      0.9828000       1.055000
  1 1 1     -11   12   26 o    4.708000      0.5364000       5.478000 0.5436000       3.938000      0.9249000       1.540000       1.073000
  1 1 1     -11   12   27 o    5.244000      0.4301000       5.110000 0.5550000       5.378000      0.6571000     -0.2680000      0.8601000
  1 1 1     -11   12   28 o    3.913000      0.5757000       3.508000 0.8171000       4.318000      0.8114000     -0.8096000       1.151000
  1 1 1     -11   12   29 o    2.307000      0.6143000       2.644000 0.8881000       1.970000      0.8490000      0.6745000       1.229000
  1 1 1     -11   12   30 o    4.585000      0.5219000       4.779000 0.6505000       4.392000      0.8163000      0.3874000       1.044000
  1 1 1     -11   12   31 o    2.427000      0.6325000       2.469000 0.8801000       2.386000      0.9086000      0.8361000E-01   1.265000
  1 1 1     -11   13    1 o    6.219000      0.3172000       6.635000 0.4836000       5.802000      0.4108000      0.8334000      0.6345000
  1 1 1     -11   13    2 o    6.157000      0.2146000       6.262000 0.3044000       6.053000      0.3027000      0.2091000      0.4293000
  1 1 1     -11   13    3 o    8.231000      0.2033000       8.265000 0.2922000       8.197000      0.2827000      0.6799000E-01  0.4066000
  1 1 1     -11   13    4 o    5.968000      0.2297000       5.955000 0.3234000       5.981000      0.3263000     -0.2557000E-01  0.4594000
  1 1 1     -11   13    5 o    3.818000      0.3199000       3.744000 0.4741000       3.892000      0.4297000     -0.1479000      0.6398000
  1 1 1     -11   13    6 o    9.872000      0.2166000       9.842000 0.3098000       9.902000      0.3027000     -0.6013000E-01  0.4332000
  1 1 1     -11   13    7 o    10.72000      0.2196000       10.93000 0.3153000       10.51000      0.3058000      0.4201000      0.4392000
  1 1 1     -11   13    8 o    1.432000      0.4377000       1.187000 0.5573000       1.677000      0.6750000     -0.4902000      0.8753000
  1 1 1     -11   13    9 o    3.241000      0.4275000       2.215000 0.7196000       4.266000      0.4618000      -2.051000      0.8550000
  1 1 1     -11   13   10 o    6.390000      0.2545000       6.578000 0.3475000       6.203000      0.3720000      0.3752000      0.5091000
  1 1 1     -11   13   11 o    6.688000      0.2602000       6.768000 0.3580000       6.608000      0.3776000      0.1596000      0.5203000
  1 1 1     -11   13   12 o    7.865000      0.2445000       8.166000 0.3421000       7.565000      0.3495000      0.6011000      0.4890000
  1 1 1     -11   13   13 o    4.855000      0.3288000       4.777000 0.4485000       4.933000      0.4809000     -0.1564000      0.6576000
  1 1 1     -11   13   14 o    7.027000      0.2674000       6.990000 0.3814000       7.065000      0.3749000     -0.7501000E-01  0.5348000
  1 1 1     -11   13   15 o    8.034000      0.2613000       7.789000 0.3743000       8.278000      0.3647000     -0.4888000      0.5226000
  1 1 1     -11   13   16 o    11.43000      0.2544000       11.61000 0.3633000       11.24000      0.3561000      0.3666000      0.5088000
  1 1 1     -11   13   17 o    9.896000      0.2635000       10.27000 0.3775000       9.524000      0.3677000      0.7439000      0.5270000
  1 1 1     -11   13   18 o    10.10000      0.3514000       10.38000 0.4636000       9.821000      0.5284000      0.5610000      0.7029000
  1 1 1     -11   13   19 o    4.396000      0.5683000       3.799000 0.7959000       4.993000      0.8113000      -1.193000       1.137000
  1 1 1     -11   13   20 o    1.646000      0.5181000       1.795000 0.7671000       1.497000      0.6966000      0.2972000       1.036000
  1 1 1     -11   13   21 o    2.560000      0.6001000       2.205000 0.7782000       2.914000      0.9137000     -0.7094000       1.200000
  1 1 1     -11   13   22 o    2.756000      0.7888000       3.466000 1.294000       2.045000      0.9028000       1.421000       1.578000
  1 1 1     -11   13   23 o    4.847000      0.4765000       5.414000 0.5677000       4.279000      0.7655000       1.135000      0.9530000
  1 1 1     -11   13   24 o    3.089000      0.6282000       2.308000 0.8834000       3.870000      0.8933000      -1.562000       1.256000
  1 1 1     -11   13   25 o    3.810000      0.6106000       3.343000 0.8961000       4.277000      0.8297000     -0.9348000       1.221000
  1 1 1     -11   13   26 o    3.219000      0.7786000       3.219000 0.7786000                  ?              ?              ?              ?
  1 1 1     -11   13   27 o    5.325000      0.4247000       5.282000 0.5452000       5.367000      0.6512000     -0.8463000E-01  0.8494000
  1 1 1     -11   13   28 o    3.621000      0.6918000       4.418000 0.9908000       2.823000      0.9658000       1.596000       1.384000
  1 1 1     -11   13   29 o    5.115000      0.4443000       5.125000 0.5768000       5.105000      0.6758000      0.2009000E-01  0.8885000
  1 1 1     -11   13   30 o    4.164000      0.5647000       4.689000 0.6744000       3.640000      0.9059000       1.049000       1.129000
  1 1 1     -11   14    1 o    10.91000      0.2078000       10.89000 0.2999000       10.94000      0.2876000     -0.5161000E-01  0.4155000
  1 1 1     -11   14    2 o    7.761000      0.2105000       7.865000 0.3062000       7.657000      0.2891000      0.2077000      0.4211000
  1 1 1     -11   14    3 o    7.782000      0.2097000       7.775000 0.3035000       7.789000      0.2894000     -0.1351000E-01  0.4193000
  1 1 1     -11   14    4 o    4.602000      0.2689000       4.535000 0.3896000       4.670000      0.3708000     -0.1348000      0.5378000
  1 1 1     -11   14    5 o    8.089000      0.2124000       7.904000 0.3043000       8.275000      0.2964000     -0.3703000      0.4248000
  1 1 1     -11   14    6 o    17.00000      0.2666000       16.88000 0.3798000       17.11000      0.3743000     -0.2369000      0.5332000
  1 1 1     -11   14    7 o    6.511000      0.2363000       6.601000 0.3376000       6.422000      0.3305000      0.1789000      0.4725000
  1 1 1     -11   14    8 o    7.317000      0.2280000       7.437000 0.3250000       7.197000      0.3199000      0.2403000      0.4560000
  1 1 1     -11   14    9 o    6.433000      0.2458000       6.681000 0.3402000       6.185000      0.3549000      0.4956000      0.4916000
  1 1 1     -11   14   10 o    3.387000      0.4113000       3.072000 0.6208000       3.701000      0.5397000     -0.6290000      0.8226000
  1 1 1     -11   14   11 o    5.260000      0.2961000       5.051000 0.4350000       5.469000      0.4019000     -0.4184000      0.5923000
  1 1 1     -11   14   12 o    11.92000      0.2419000       11.77000 0.3457000       12.07000      0.3384000     -0.2986000      0.4838000
  1 1 1     -11   14   13 o    4.259000      0.3831000       3.946000 0.5777000       4.572000      0.5032000     -0.6265000      0.7661000
  1 1 1     -11   14   14 o    5.414000      0.3202000       5.706000 0.4250000       5.122000      0.4790000      0.5842000      0.6404000
  1 1 1     -11   14   15 o    6.170000      0.3060000       5.934000 0.4324000       6.406000      0.4330000     -0.4722000      0.6120000
  1 1 1     -11   14   16 o    8.529000      0.3366000       8.863000 0.4405000       8.195000      0.5090000      0.6674000      0.6731000
  1 1 1     -11   14   17 o    8.739000      0.3537000       8.762000 0.4501000       8.716000      0.5458000      0.4665000E-01  0.7074000
  1 1 1     -11   14   18 o    9.479000      0.2673000       9.055000 0.3854000       9.903000      0.3705000     -0.8480000      0.5346000
  1 1 1     -11   14   19 o    1.490000      0.4829000       1.591000 0.7017000       1.388000      0.6636000      0.2038000      0.9658000
  1 1 1     -11   14   20 o    1.961000      0.6563000       2.309000 1.060000       1.613000      0.7738000      0.6963000       1.313000
  1 1 1     -11   14   21 o    3.586000      0.6247000       2.686000 0.8199000       4.486000      0.9429000      -1.800000       1.249000
  1 1 1     -11   14   22 o    3.418000      0.6290000       3.443000 0.8620000       3.394000      0.9163000      0.4844000E-01   1.258000
  1 1 1     -11   14   23 o    3.341000      0.6240000       3.299000 0.8515000       3.383000      0.9125000     -0.8371000E-01   1.248000
  1 1 1     -11   14   24 o    2.382000      0.6363000       2.174000 0.8725000       2.589000      0.9265000     -0.4153000       1.273000
  1 1 1     -11   14   25 o    4.438000      0.5510000       3.776000 0.8397000       5.099000      0.7135000      -1.324000       1.102000
  1 1 1     -11   14   26 o    3.039000      0.9009000       3.039000 0.9009000                  ?              ?              ?              ?
  1 1 1     -11   14   27 o    2.012000      0.6097000       2.070000 0.8663000       1.953000      0.8582000      0.1170000       1.219000
  1 1 1     -11   14   28 o    1.694000      0.7886000                  ?       ?   1.694000      0.7886000                  ?              ?
  1 1 1     -11   14   29 o    3.982000      0.5833000       4.699000 0.6664000       3.264000      0.9576000       1.434000       1.167000
  1 1 1     -11   15    1 o    1.861000      0.4400000       1.348000 0.6059000       2.374000      0.6380000      -1.026000      0.8799000
  1 1 1     -11   15    2 o    5.939000      0.2418000       5.730000 0.3639000       6.149000      0.3186000     -0.4197000      0.4836000
  1 1 1     -11   15    3 o    5.229000      0.2693000       5.028000 0.4087000       5.431000      0.3508000     -0.4033000      0.5386000
  1 1 1     -11   15    4 o    5.369000      0.2519000       5.398000 0.3650000       5.341000      0.3474000      0.5772000E-01  0.5038000
  1 1 1     -11   15    5 o    7.643000      0.2171000       7.644000 0.3147000       7.642000      0.2991000      0.1476000E-02  0.4342000
  1 1 1     -11   15    6 o    11.91000      0.2240000       12.04000 0.3239000       11.78000      0.3094000      0.2583000      0.4479000
  1 1 1     -11   15    7 o    4.912000      0.2849000       4.889000 0.3995000       4.936000      0.4063000     -0.4682000E-01  0.5698000
  1 1 1     -11   15    8 o    6.643000      0.2463000       6.225000 0.3561000       7.062000      0.3404000     -0.8372000      0.4927000
  1 1 1     -11   15    9 o    4.669000      0.3157000       4.307000 0.4616000       5.030000      0.4308000     -0.7230000      0.6314000
  1 1 1     -11   15   10 o    9.355000      0.2356000       9.291000 0.3308000       9.418000      0.3357000     -0.1270000      0.4712000
  1 1 1     -11   15   11 o    14.06000      0.2532000       13.89000 0.3592000       14.22000      0.3571000     -0.3276000      0.5065000
  1 1 1     -11   15   12 o    4.978000      0.3414000       5.481000 0.4268000       4.475000      0.5330000       1.006000      0.6828000
  1 1 1     -11   15   13 o    11.06000      0.2472000       11.21000 0.3545000       10.91000      0.3445000      0.2954000      0.4944000
  1 1 1     -11   15   14 o    5.388000      0.3091000       6.052000 0.4290000       4.724000      0.4452000       1.328000      0.6182000
  1 1 1     -11   15   15 o    3.658000      0.5714000       3.978000 0.6498000       3.339000      0.9402000      0.6399000       1.143000
  1 1 1     -11   15   16 o    3.631000      0.4947000       3.867000 0.6560000       3.396000      0.7405000      0.4710000      0.9893000
  1 1 1     -11   15   17 o    5.998000      0.3248000       6.052000 0.4398000       5.945000      0.4780000      0.1073000      0.6495000
  1 1 1     -11   15   18 o    5.232000      0.6965000       5.325000 1.132000       5.139000      0.8124000      0.1857000       1.393000
  1 1 1     -11   15   19 f    3.738000      0.7573000       5.150000 1.170000       2.326000      0.9614000       2.824000       1.515000
  1 1 1     -11   15   20 o    3.915000      0.5168000       4.009000 0.6946000       3.822000      0.7654000      0.1872000       1.034000
  1 1 1     -11   15   21 o    3.412000      0.6043000       3.491000 0.8133000       3.333000      0.8940000      0.1580000       1.209000
  1 1 1     -11   15   22 o    3.165000      0.6179000       3.535000 0.8190000       2.795000      0.9256000      0.7401000       1.236000
  1 1 1     -11   15   23 o    2.177000      0.6161000       2.345000 0.8901000       2.009000      0.8522000      0.3353000       1.232000
  1 1 1     -11   15   24 o    2.806000      0.6246000       2.044000 0.8579000       3.568000      0.9080000      -1.524000       1.249000
  1 1 1     -11   15   25 o    3.445000      0.6448000       3.451000 0.8720000       3.438000      0.9500000      0.1248000E-01   1.290000
  1 1 1     -11   15   26 o    1.877000      0.5835000       1.837000 0.8128000       1.917000      0.8373000     -0.8023000E-01   1.167000
  1 1 1     -11   15   27 o    1.539000      0.5139000       1.603000 0.7431000       1.475000      0.7101000      0.1277000       1.028000
  1 1 1     -11   15   28 o    2.147000      0.6176000       2.376000 0.8970000       1.918000      0.8493000      0.4571000       1.235000
  1 1 1     -11   16    1 o    3.138000      0.4259000       3.604000 0.5479000       2.673000      0.6521000      0.9316000      0.8517000
  1 1 1     -11   16    2 o    3.353000      0.3967000       3.833000 0.5127000       2.872000      0.6056000      0.9612000      0.7934000
  1 1 1     -11   16    3 o    5.233000      0.2713000       5.177000 0.4107000       5.288000      0.3545000     -0.1112000      0.5425000
  1 1 1     -11   16    4 o    4.356000      0.3218000       4.801000 0.4296000       3.911000      0.4792000      0.8896000      0.6436000
  1 1 1     -11   16    5 o    1.590000      0.4653000       1.420000 0.6383000       1.760000      0.6771000     -0.3400000      0.9305000
  1 1 1     -11   16    6 o    1.337000      0.4272000       1.212000 0.5672000       1.463000      0.6388000     -0.2513000      0.8543000
  1 1 1     -11   16    7 o    8.893000      0.2272000       8.993000 0.3229000       8.793000      0.3199000      0.2004000      0.4545000
  1 1 1     -11   16    8 o    5.724000      0.2764000       5.545000 0.4044000       5.903000      0.3770000     -0.3584000      0.5528000
  1 1 1     -11   16    9 f    9.437000      0.2370000       9.484000 0.3389000       9.391000      0.3314000      0.9324000E-01  0.4740000
  1 1 1     -11   16   10 o    8.248000      0.2529000       7.859000 0.3686000       8.637000      0.3464000     -0.7781000      0.5058000
  1 1 1     -11   16   11 o    8.181000      0.2481000       8.259000 0.3470000       8.103000      0.3547000      0.1560000      0.4962000
  1 1 1     -11   16   12 o    5.574000      0.3771000       5.366000 0.4385000       5.781000      0.6136000     -0.4153000      0.7542000
  1 1 1     -11   16   13 o    7.187000      0.3513000       7.546000 0.4394000       6.829000      0.5482000      0.7163000      0.7026000
  1 1 1     -11   16   14 o    8.244000      0.2676000       7.871000 0.3844000       8.617000      0.3724000     -0.7462000      0.5352000
  1 1 1     -11   16   15 o    10.55000      0.2549000       10.28000 0.3619000       10.83000      0.3590000     -0.5509000      0.5098000
  1 1 1     -11   16   16 o    6.179000      0.5680000       5.800000 0.9185000       6.558000      0.6687000     -0.7583000       1.136000
  1 1 1     -11   16   17 o    3.042000      0.7682000       2.735000 1.144000       3.348000       1.026000     -0.6124000       1.536000
  1 1 1     -11   16   18 o    1.835000      0.5401000       1.462000 0.6768000       2.208000      0.8419000     -0.7459000       1.080000
  1 1 1     -11   16   19 o    3.995000      0.5012000       3.941000 0.7013000       4.050000      0.7164000     -0.1091000       1.002000
  1 1 1     -11   16   20 o    5.374000      0.4191000       5.353000 0.5720000       5.395000      0.6126000     -0.4255000E-01  0.8381000
  1 1 1     -11   16   21 f    3.840000      0.5597000       4.014000 0.7396000       3.666000      0.8404000      0.3485000       1.119000
  1 1 1     -11   16   22 o    4.311000      0.4989000       4.395000 0.6590000       4.227000      0.7492000      0.1681000      0.9977000
  1 1 1     -11   16   23 f    2.271000      0.5955000       1.690000 0.7651000       2.853000      0.9127000      -1.163000       1.191000
  1 1 1     -11   16   24 o    3.028000      0.6481000       2.589000 0.9266000       3.466000      0.9064000     -0.8765000       1.296000
  1 1 1     -11   16   25 o    2.978000      0.6671000       3.112000 0.9146000       2.845000      0.9713000      0.2670000       1.334000
  1 1 1     -11   16   26 o    1.792000      0.5656000       1.962000 0.8318000       1.623000      0.7665000      0.3383000       1.131000
  1 1 1     -11   16   27 o    3.054000      0.6324000       3.648000 0.8607000       2.460000      0.9269000       1.188000       1.265000
  1 1 1     -11   16   28 o    2.077000      0.6637000       1.583000 0.7901000       2.570000       1.067000     -0.9873000       1.327000
  1 1 1     -11   17    1 o    2.387000      0.5492000       2.401000 0.8355000       2.373000      0.7130000      0.2819000E-01   1.098000
  1 1 1     -11   17    2 o    2.018000      0.5147000       1.929000 0.7535000       2.106000      0.7013000     -0.1773000       1.029000
  1 1 1     -11   17    3 o    5.570000      0.2878000       5.444000 0.4313000       5.697000      0.3810000     -0.2532000      0.5755000
  1 1 1     -11   17    4 o    10.59000      0.2256000       10.57000 0.3268000       10.60000      0.3110000     -0.3234000E-01  0.4511000
  1 1 1     -11   17    5 o    6.437000      0.2630000       6.520000 0.3832000       6.355000      0.3603000      0.1652000      0.5260000
  1 1 1     -11   17    6 o    8.790000      0.2343000       9.059000 0.3405000       8.520000      0.3219000      0.5393000      0.4686000
  1 1 1     -11   17    7 o    10.47000      0.2321000       10.66000 0.3344000       10.28000      0.3220000      0.3780000      0.4642000
  1 1 1     -11   17    8 o    1.939000      0.5089000       1.608000 0.6860000       2.270000      0.7519000     -0.6620000       1.018000
  1 1 1     -11   17    9 o    2.715000      0.5020000       2.782000 0.6782000       2.649000      0.7403000      0.1331000       1.004000
  1 1 1     -11   17   10 o    9.451000      0.3029000       9.024000 0.4191000       9.878000      0.4374000     -0.8541000      0.6058000
  1 1 1     -11   17   11 o    4.412000      0.4785000       4.875000 0.5476000       3.948000      0.7849000      0.9275000      0.9570000
  1 1 1     -11   17   12 o    4.964000      0.3457000       4.840000 0.4947000       5.088000      0.4830000     -0.2487000      0.6914000
  1 1 1     -11   17   13 o    3.366000      0.5010000       3.448000 0.7018000       3.284000      0.7151000      0.1643000       1.002000
  1 1 1     -11   17   14 o    2.405000      0.7081000       2.560000 1.090000       2.249000      0.9045000      0.3112000       1.416000
  1 1 1     -11   17   15 o    7.711000      0.4801000       8.119000 0.7583000       7.303000      0.5891000      0.8159000      0.9602000
  1 1 1     -11   17   16 o    2.411000      0.5863000       2.710000 0.8304000       2.112000      0.8280000      0.5984000       1.173000
  1 1 1     -11   17   17 o    3.761000      0.5057000       3.510000 0.7644000       4.012000      0.6624000     -0.5019000       1.011000
  1 1 1     -11   17   18 o    2.041000      0.5672000       2.380000 0.8362000       1.703000      0.7664000      0.6768000       1.134000
  1 1 1     -11   17   19 o    2.641000      0.6053000       3.265000 0.8578000       2.016000      0.8542000       1.250000       1.211000
  1 1 1     -11   17   20 o    6.573000      0.3711000       6.431000 0.5235000       6.715000      0.5262000     -0.2843000      0.7423000
  1 1 1     -11   17   21 o    4.845000      0.4685000       4.531000 0.6870000       5.158000      0.6370000     -0.6264000      0.9369000
  1 1 1     -11   17   22 f    2.512000      0.6146000       1.847000 0.8132000       3.177000      0.9216000      -1.330000       1.229000
  1 1 1     -11   17   23 o    4.814000      0.4805000       4.694000 0.7057000       4.935000      0.6523000     -0.2409000      0.9610000
  1 1 1     -11   17   24 o    2.472000      0.6386000       2.602000 0.9206000       2.341000      0.8852000      0.2607000       1.277000
  1 1 1     -11   17   25 o    2.267000      0.6502000       2.369000 0.9202000       2.166000      0.9189000      0.2030000       1.300000
  1 1 1     -11   17   26 o    2.748000      0.5762000       3.725000 0.8145000       1.772000      0.8153000       1.952000       1.152000
  1 1 1     -11   17   27 o    2.568000      0.7644000       2.850000 1.121000       2.286000       1.040000      0.5643000       1.529000
  1 1 1     -11   18    1 o    9.484000      0.2487000       9.832000 0.3753000       9.135000      0.3266000      0.6969000      0.4975000
  1 1 1     -11   18    2 o    3.297000      0.5243000       3.158000 0.8414000       3.435000      0.6259000     -0.2771000       1.049000
  1 1 1     -11   18    3 o    10.64000      0.2371000       10.85000 0.3542000       10.43000      0.3154000      0.4205000      0.4742000
  1 1 1     -11   18    4 o    6.882000      0.2694000       6.834000 0.4047000       6.930000      0.3557000     -0.9553000E-01  0.5388000
  1 1 1     -11   18    5 o    7.311000      0.2571000       7.472000 0.3768000       7.150000      0.3499000      0.3213000      0.5142000
  1 1 1     -11   18    6 o    6.345000      0.2814000       6.385000 0.4131000       6.306000      0.3821000      0.7867000E-01  0.5627000
  1 1 1     -11   18    7 o    5.773000      0.3118000       6.081000 0.4470000       5.465000      0.4348000      0.6160000      0.6235000
  1 1 1     -11   18    8 o    7.778000      0.3290000       7.659000 0.4522000       7.898000      0.4781000     -0.2389000      0.6581000
  1 1 1     -11   18    9 o    7.355000      0.3352000       7.737000 0.4418000       6.972000      0.5043000      0.7641000      0.6705000
  1 1 1     -11   18   10 o    7.975000      0.2555000       7.997000 0.3728000       7.954000      0.3497000      0.4223000E-01  0.5111000
  1 1 1     -11   18   11 o    3.347000      0.5054000       3.066000 0.7809000       3.629000      0.6418000     -0.5637000       1.011000
  1 1 1     -11   18   12 o    6.667000      0.5552000       6.025000 0.9421000       7.309000      0.5877000      -1.285000       1.110000
  1 1 1     -11   18   13 o    3.519000      0.7745000       4.241000 1.186000       2.796000      0.9964000       1.446000       1.549000
  1 1 1     -11   18   14 o    4.897000      0.3855000       5.137000 0.4997000       4.657000      0.5872000      0.4804000      0.7710000
  1 1 1     -11   18   15 o    2.034000      0.5585000       1.739000 0.7558000       2.329000      0.8223000     -0.5903000       1.117000
  1 1 1     -11   18   16 o    2.319000      0.6050000       2.448000 0.8478000       2.190000      0.8632000      0.2583000       1.210000
  1 1 1     -11   18   17 o    4.467000      0.4711000       3.737000 0.7542000       5.197000      0.5646000      -1.460000      0.9421000
  1 1 1     -11   18   18 o    2.725000      0.6134000       3.030000 0.8435000       2.420000      0.8909000      0.6093000       1.227000
  1 1 1     -11   18   19 o    3.775000      0.5829000       4.027000 0.7574000       3.523000      0.8863000      0.5033000       1.166000
  1 1 1     -11   18   20 o    3.345000      0.6267000       3.891000 0.8210000       2.798000      0.9472000       1.093000       1.253000
  1 1 1     -11   18   21 o    4.335000      0.5299000       4.570000 0.7274000       4.100000      0.7706000      0.4697000       1.060000
  1 1 1     -11   18   22 o    5.214000      0.4632000       5.270000 0.6237000       5.159000      0.6851000      0.1108000      0.9265000
  1 1 1     -11   18   23 o    2.612000      0.6220000       1.896000 0.8340000       3.328000      0.9229000      -1.432000       1.244000
  1 1 1     -11   18   24 o    3.393000      0.6478000       2.934000 0.9607000       3.851000      0.8694000     -0.9165000       1.296000
  1 1 1     -11   18   25 o    3.782000      0.6350000       3.808000 0.8320000       3.755000      0.9595000      0.5280000E-01   1.270000
  1 1 1     -11   19    1 o    11.11000      0.3081000       11.64000 0.5078000       10.58000      0.3490000       1.059000      0.6161000
  1 1 1     -11   19    2 o    7.472000      0.2921000       7.469000 0.4410000       7.476000      0.3831000     -0.6683000E-02  0.5841000
  1 1 1     -11   19    3 o    3.989000      0.4979000       4.076000 0.7576000       3.901000      0.6464000      0.1752000      0.9958000
  1 1 1     -11   19    4 o    3.212000      0.5614000       3.309000 0.8260000       3.116000      0.7603000      0.1931000       1.123000
  1 1 1     -11   19    5 o    4.648000      0.5113000       4.985000 0.6644000       4.310000      0.7773000      0.6748000       1.023000
  1 1 1     -11   19    7 o    5.871000      0.3150000       5.965000 0.4597000       5.778000      0.4309000      0.1875000      0.6301000
  1 1 1     -11   19    8 o    6.339000      0.2951000       6.611000 0.4280000       6.067000      0.4065000      0.5447000      0.5903000
  1 1 1     -11   19    9 o    8.712000      0.2497000       8.533000 0.3600000       8.890000      0.3460000     -0.3571000      0.4993000
  1 1 1     -11   19   10 o    2.384000      0.7045000       2.993000 1.158000       1.775000      0.8032000       1.219000       1.409000
  1 1 1     -11   19   11 o    2.639000      0.7413000       2.832000 1.145000       2.447000      0.9419000      0.3845000       1.483000
  1 1 1     -11   19   12 o    4.138000      0.4512000       4.077000 0.6497000       4.198000      0.6261000     -0.1206000      0.9023000
  1 1 1     -11   19   13 o    4.347000      0.4386000       4.322000 0.6057000       4.373000      0.6344000     -0.5171000E-01  0.8771000
  1 1 1     -11   19   14 o    3.017000      0.5753000       2.633000 0.8427000       3.401000      0.7834000     -0.7685000       1.151000
  1 1 1     -11   19   15 o    2.170000      0.5802000       1.746000 0.7665000       2.594000      0.8711000     -0.8479000       1.160000
  1 1 1     -11   19   16 o    4.471000      0.4877000       4.623000 0.6602000       4.319000      0.7180000      0.3038000      0.9754000
  1 1 1     -11   19   17 o    6.207000      0.3690000       6.507000 0.4897000       5.907000      0.5521000      0.5998000      0.7380000
  1 1 1     -11   19   18 o    6.702000      0.3673000       6.766000 0.5289000       6.637000      0.5099000      0.1288000      0.7346000
  1 1 1     -11   19   19 o    6.233000      0.3903000       6.555000 0.5528000       5.911000      0.5513000      0.6445000      0.7807000
  1 1 1     -11   19   20 o    3.661000      0.6225000       3.037000 0.9785000       4.284000      0.7697000      -1.248000       1.245000
  1 1 1     -11   19   21 o    4.710000      0.5273000       5.387000 0.6838000       4.034000      0.8030000       1.353000       1.055000
  1 1 1     -11   19   22 f    3.348000      0.6448000       4.098000 0.8719000       2.598000      0.9501000       1.500000       1.290000
  1 1 1     -11   19   23 o    1.715000      0.5607000       1.787000 0.8220000       1.642000      0.7628000      0.1447000       1.121000
  1 1 1     -11   19   24 f    1.991000      0.6022000       2.243000 0.9026000       1.738000      0.7973000      0.5044000       1.204000
  1 1 1     -11   20    1 o    7.811000      0.3006000       7.929000 0.4670000       7.692000      0.3788000      0.2371000      0.6013000
  1 1 1     -11   20    2 o    3.554000      0.7658000       3.613000 1.092000       3.495000       1.074000      0.1182000       1.532000
  1 1 1     -11   20    3 o    6.034000      0.5300000       5.965000 0.7624000       6.103000      0.7363000     -0.1383000       1.060000
  1 1 1     -11   20    4 o    2.686000      0.6008000       2.808000 0.8886000       2.565000      0.8088000      0.2435000       1.202000
  1 1 1     -11   20    5 o    2.591000      0.5867000       2.527000 0.8827000       2.655000      0.7731000     -0.1285000       1.173000
  1 1 1     -11   20    6 o    6.355000      0.3155000       6.292000 0.4864000       6.419000      0.4019000     -0.1269000      0.6309000
  1 1 1     -11   20    7 o    8.513000      0.4096000       8.752000 0.6584000       8.274000      0.4875000      0.4777000      0.8192000
  1 1 1     -11   20    8 o    9.122000      0.4212000       8.878000 0.6891000       9.366000      0.4844000     -0.4879000      0.8424000
  1 1 1     -11   20    9 o    6.746000      0.3128000       6.862000 0.4525000       6.630000      0.4319000      0.2326000      0.6255000
  1 1 1     -11   20   10 o    10.37000      0.2651000       10.43000 0.3841000       10.32000      0.3655000      0.1005000      0.5302000
  1 1 1     -11   20   11 o    3.615000      0.5334000       3.009000 0.8596000       4.222000      0.6317000      -1.213000       1.067000
  1 1 1     -11   20   12 o    4.152000      0.4683000       4.673000 0.5875000       3.630000      0.7295000       1.043000      0.9367000
  1 1 1     -11   20   13 o    4.572000      0.4529000       4.356000 0.6965000       4.787000      0.5791000     -0.4310000      0.9058000
  1 1 1     -11   20   14 o    2.099000      0.5804000       2.516000 0.8769000       1.683000      0.7607000      0.8324000       1.161000
  1 1 1     -11   20   15 o    1.849000      0.5620000       2.017000 0.8285000       1.682000      0.7595000      0.3349000       1.124000
  1 1 1     -11   20   16 o    5.486000      0.4119000       5.340000 0.6144000       5.633000      0.5489000     -0.2934000      0.8239000
  1 1 1     -11   20   17 o    5.394000      0.4432000       5.363000 0.6255000       5.425000      0.6279000     -0.6201000E-01  0.8863000
  1 1 1     -11   20   18 o    3.079000      0.6531000       2.922000 0.9350000       3.237000      0.9121000     -0.3153000       1.306000
  1 1 1     -11   20   19 o    2.572000      0.6536000       2.755000 0.9485000       2.389000      0.8996000      0.3665000       1.307000
  1 1 1     -11   20   20 o    2.840000      0.6637000       3.206000 0.9384000       2.475000      0.9387000      0.7310000       1.327000
  1 1 1     -11   20   21 o    1.982000      0.5999000       1.698000 0.7837000       2.265000      0.9084000     -0.5665000       1.200000
  1 1 1     -11   20   22 o    3.742000      0.6420000       3.149000 0.9821000       4.336000      0.8271000      -1.187000       1.284000
  1 1 1     -11   20   23 o    5.303000      0.4937000       5.495000 0.6315000       5.112000      0.7590000      0.3829000      0.9874000
  1 1 1     -11   21    1 o    2.250000      0.5468000       1.429000 0.6981000       3.071000      0.8418000      -1.641000       1.094000
  1 1 1     -11   21    2 o    1.876000      0.5708000       2.026000 0.8607000       1.726000      0.7499000      0.2994000       1.142000
  1 1 1     -11   21    3 o    4.009000      0.4956000       4.366000 0.7123000       3.652000      0.6894000      0.7138000      0.9913000
  1 1 1     -11   21    4 o    3.871000      0.6520000       3.669000 1.065000       4.073000      0.7518000     -0.4037000       1.304000
  1 1 1     -11   21    5 o    5.817000      0.5266000       5.110000 0.9136000       6.523000      0.5240000      -1.412000       1.053000
  1 1 1     -11   21    6 o    3.383000      0.5821000       3.010000 0.9405000       3.756000      0.6862000     -0.7465000       1.164000
  1 1 1     -11   21    7 o    3.789000      0.5221000       3.481000 0.8284000       4.098000      0.6355000     -0.6177000       1.044000
  1 1 1     -11   21    8 o    2.153000      0.5850000       1.860000 0.7970000       2.447000      0.8566000     -0.5874000       1.170000
  1 1 1     -11   21    9 o    5.257000      0.3854000       5.827000 0.5271000       4.686000      0.5625000       1.142000      0.7708000
  1 1 1     -11   21   10 o    3.561000      0.5716000       3.752000 0.8305000       3.370000      0.7855000      0.3823000       1.143000
  1 1 1     -11   21   11 o    5.687000      0.3712000       5.600000 0.5522000       5.775000      0.4963000     -0.1744000      0.7425000
  1 1 1     -11   21   12 o    9.057000      0.3013000       8.876000 0.4494000       9.237000      0.4016000     -0.3600000      0.6027000
  1 1 1     -11   21   13 o    2.872000      0.6428000       3.120000 0.9287000       2.624000      0.8890000      0.4970000       1.286000
  1 1 1     -11   21   14 o    1.658000      0.5346000       1.693000 0.7743000       1.624000      0.7373000      0.6919000E-01   1.069000
  1 1 1     -11   21   15 o    2.357000      0.6085000       1.995000 0.8415000       2.720000      0.8792000     -0.7252000       1.217000
  1 1 1     -11   21   16 o    8.315000      0.3373000       8.424000 0.5000000       8.206000      0.4530000      0.2184000      0.6747000
  1 1 1     -11   21   17 o    4.011000      0.5879000       3.732000 0.9183000       4.291000      0.7342000     -0.5594000       1.176000
  1 1 1     -11   21   18 o    4.830000      0.5064000       4.797000 0.7484000       4.862000      0.6824000     -0.6512000E-01   1.013000
  1 1 1     -11   21   19 o    7.434000      0.4543000       7.236000 0.5471000       7.632000      0.7255000     -0.3958000      0.9086000
  1 1 1     -11   21   20 o    2.913000      0.6746000       3.325000 0.9709000       2.501000      0.9369000      0.8239000       1.349000
  1 1 1     -11   21   21 o    2.114000      0.6364000       1.871000 0.8410000       2.357000      0.9552000     -0.4865000       1.273000
  1 1 1     -11   21   22 o    2.291000      0.7302000       2.196000 1.009000       2.387000       1.056000     -0.1909000       1.460000
  1 1 1     -11   22    1 o    3.694000      0.9025000                  ?       ?   3.694000      0.9025000                  ?              ?
  1 1 1     -11   22    2 f    4.632000      0.6185000       5.744000 0.8189000       3.520000      0.9270000       2.224000       1.237000
  1 1 1     -11   22    3 o    5.913000      0.3990000       6.196000 0.6118000       5.629000      0.5122000      0.5677000      0.7979000
  1 1 1     -11   22    4 o    4.419000      0.5447000       3.355000 0.9632000       5.484000      0.5091000      -2.129000       1.089000
  1 1 1     -11   22    5 o    4.965000      0.4815000       4.879000 0.7717000       5.050000      0.5761000     -0.1714000      0.9630000
  1 1 1     -11   22    6 o    2.785000      0.6799000       3.158000 1.036000       2.413000      0.8807000      0.7453000       1.360000
  1 1 1     -11   22    7 o    3.787000      0.6068000       4.566000 0.8299000       3.009000      0.8854000       1.557000       1.214000
  1 1 1     -11   22    8 o    7.142000      0.3379000       6.525000 0.5378000       7.759000      0.4092000      -1.235000      0.6758000
  1 1 1     -11   22    9 o    4.338000      0.4925000       4.988000 0.6354000       3.689000      0.7526000       1.299000      0.9849000
  1 1 1     -11   22   10 o    3.759000      0.5655000       4.491000 0.7488000       3.027000      0.8476000       1.465000       1.131000
  1 1 1     -11   22   11 o    8.139000      0.3195000       8.114000 0.4666000       8.164000      0.4366000     -0.4981000E-01  0.6391000
  1 1 1     -11   22   12 o    3.519000      0.6190000       3.662000 0.8562000       3.377000      0.8941000      0.2847000       1.238000
  1 1 1     -11   22   13 o    4.285000      0.5387000       4.381000 0.7654000       4.189000      0.7581000      0.1920000       1.077000
  1 1 1     -11   22   14 o    2.274000      0.6325000       2.038000 0.8681000       2.509000      0.9201000     -0.4704000       1.265000
  1 1 1     -11   22   15 o    3.943000      0.6154000       4.328000 0.8522000       3.559000      0.8882000      0.7685000       1.231000
  1 1 1     -11   22   16 o    2.763000      0.6451000       2.373000 0.9375000       3.153000      0.8865000     -0.7799000       1.290000
  1 1 1     -11   22   17 o    3.487000      0.6489000       2.939000 0.9790000       4.034000      0.8519000      -1.095000       1.298000
  1 1 1     -11   22   18 o    3.373000      0.6487000       3.356000 0.9198000       3.390000      0.9150000     -0.3380000E-01   1.297000
  1 1 1     -11   22   19 o    2.597000      0.6828000       2.629000 0.9808000       2.566000      0.9503000      0.6337000E-01   1.366000
  1 1 1     -11   22   20 o    2.657000      0.6880000       2.323000 0.9523000       2.992000      0.9932000     -0.6690000       1.376000
  1 1 1     -11   23    1 o    4.416000      0.8294000                  ?       ?   4.416000      0.8294000                  ?              ?
  1 1 1     -11   23    2 o    6.262000      0.4582000       6.762000 0.6596000       5.762000      0.6362000       1.001000      0.9164000
  1 1 1     -11   23    3 o    7.328000      0.4266000       6.545000 0.7105000       8.110000      0.4723000      -1.565000      0.8532000
  1 1 1     -11   23    4 o    1.807000      0.5824000       1.960000 0.8862000       1.654000      0.7558000      0.3059000       1.165000
  1 1 1     -11   23    5 o    3.996000      0.6061000       3.550000 0.9964000       4.442000      0.6903000     -0.8921000       1.212000
  1 1 1     -11   23    6 o    3.322000      0.6910000       3.683000 1.027000       2.960000      0.9249000      0.7224000       1.382000
  1 1 1     -11   23    7 o    4.648000      0.5931000       5.804000 0.7354000       3.492000      0.9307000       2.312000       1.186000
  1 1 1     -11   23    8 o    3.961000      0.6081000       3.489000 1.000000       4.434000      0.6917000     -0.9454000       1.216000
  1 1 1     -11   23    9 o    2.362000      0.6124000       1.922000 0.8549000       2.802000      0.8770000     -0.8793000       1.225000
  1 1 1     -11   23   10 o    2.910000      0.6549000       2.764000 0.9426000       3.055000      0.9094000     -0.2909000       1.310000
  1 1 1     -11   23   11 o    2.510000      0.6482000       2.678000 0.9595000       2.342000      0.8719000      0.3361000       1.296000
  1 1 1     -11   23   12 o    2.260000      0.6317000       1.874000 0.8477000       2.646000      0.9367000     -0.7712000       1.263000
  1 1 1     -11   23   13 o    3.608000      0.6454000       4.479000 0.8522000       2.737000      0.9695000       1.742000       1.291000
  1 1 1     -11   23   14 o    2.355000      0.6664000       2.289000 0.9400000       2.420000      0.9449000     -0.1303000       1.333000
  1 1 1     -11   23   15 o    3.964000      0.6255000       4.013000 0.9157000       3.915000      0.8524000      0.9806000E-01   1.251000
  1 1 1     -11   23   16 o    1.848000      0.5961000       2.017000 0.8973000       1.680000      0.7849000      0.3364000       1.192000
  1 1 1     -11   23   17 o    2.861000      0.6887000       3.442000 1.013000       2.281000      0.9335000       1.161000       1.377000
  1 1 1     -11   23   18 o    1.990000      0.6191000       2.148000 0.9195000       1.832000      0.8291000      0.3155000       1.238000
  1 1 1     -11   24    1 o    4.464000      0.6312000       3.355000 1.092000       5.572000      0.6328000      -2.217000       1.262000
  1 1 1     -11   24    2 o    5.100000      0.6251000       4.077000 1.076000       6.123000      0.6367000      -2.046000       1.250000
  1 1 1     -11   24    3 o    4.000000      0.6810000       3.059000 1.116000       4.942000      0.7812000      -1.883000       1.362000
  1 1 1     -11   24    4 o    6.379000      0.4748000       6.338000 0.7492000       6.419000      0.5835000     -0.8070000E-01  0.9496000
  1 1 1     -11   24    5 o    3.992000      0.6432000       4.424000 0.8953000       3.561000      0.9236000      0.8631000       1.286000
  1 1 1     -11   24    6 o    3.512000      0.6750000       2.862000 1.035000       4.163000      0.8665000      -1.301000       1.350000
  1 1 1     -11   24    7 o    6.820000      0.4423000       6.370000 0.7026000       7.271000      0.5375000     -0.9007000      0.8847000
  1 1 1     -11   24    8 o    4.194000      0.6320000       3.974000 0.9873000       4.413000      0.7893000     -0.4384000       1.264000
  1 1 1     -11   24    9 o    2.402000      0.6516000       1.915000 0.8874000       2.890000      0.9544000     -0.9752000       1.303000
  1 1 1     -11   24   10 o    3.000000      0.7143000       2.922000 1.046000       3.077000      0.9730000     -0.1550000       1.429000
  1 1 1     -11   24   11 o    4.243000      0.6209000       3.434000 1.048000       5.051000      0.6659000      -1.617000       1.242000
  1 1 1     -11   24   12 o    2.835000      0.6880000       3.502000 1.035000       2.168000      0.9068000       1.335000       1.376000
  1 1 1     -11   24   13 o    3.532000      0.7115000       4.089000 0.9953000       2.975000       1.017000       1.113000       1.423000
  1 1 1     -11   24   14 o    6.324000      0.4472000       6.471000 0.6545000       6.177000      0.6095000      0.2938000      0.8943000
  1 1 1     -11   24   15 o    6.678000      0.5037000       7.048000 0.8040000       6.307000      0.6071000      0.7409000       1.007000
  1 1 1     -11   24   16 o    1.972000      0.6275000       1.890000 0.8698000       2.055000      0.9047000     -0.1650000       1.255000
  1 1 1     -11   25    1 f    2.721000      0.7356000       2.871000 1.075000       2.571000       1.004000      0.2993000       1.471000
  1 1 1     -11   25    2 f    4.067000      0.6248000       2.463000 1.040000       5.671000      0.6926000      -3.208000       1.250000
  1 1 1     -11   25    3 o    6.648000      0.5538000       6.446000 0.9120000       6.849000      0.6286000     -0.4030000       1.108000
  1 1 1     -11   25    4 o    4.785000      0.6641000       4.284000 1.059000       5.285000      0.8012000      -1.001000       1.328000
  1 1 1     -11   25    5 o    4.430000      0.6684000       4.396000 1.020000       4.464000      0.8642000     -0.6803000E-01   1.337000
  1 1 1     -11   25    6 o    5.231000      0.5495000       4.623000 0.8874000       5.839000      0.6483000      -1.217000       1.099000
  1 1 1     -11   25    7 o    3.781000      0.6705000       2.684000 1.056000       4.879000      0.8264000      -2.196000       1.341000
  1 1 1     -11   25    8 o    3.191000      0.7264000       2.841000 1.085000       3.541000      0.9666000     -0.7007000       1.453000
  1 1 1     -11   25    9 o    2.480000      0.7008000       2.332000 0.9940000       2.629000      0.9882000     -0.2967000       1.402000
  1 1 1     -11   25   10 o    2.584000      0.7315000       2.833000 1.097000       2.336000      0.9681000      0.4974000       1.463000
  1 1 1     -11   25   11 o    4.496000      0.6342000       4.840000 0.9261000       4.153000      0.8666000      0.6868000       1.268000
  1 1 1     -11   25   12 o    3.053000      0.6504000       4.053000 0.9486000       2.052000      0.8900000       2.001000       1.301000
  1 1 1     -11   25   13 o    4.184000      0.6664000       3.625000 1.061000       4.742000      0.8072000      -1.117000       1.333000
  1 1 1     -11   26    1 o    2.975000      0.7367000       3.119000 1.085000       2.832000      0.9970000      0.2867000       1.473000
  1 1 1     -11   26    2 o    1.890000      0.8778000                  ?       ?   1.890000      0.8778000                  ?              ?
  1 1 1     -11   26    3 o    2.555000      0.7146000       2.332000 1.016000       2.778000       1.005000     -0.4457000       1.429000
  1 1 1     -11   26    4 o    3.131000      0.7507000       3.052000 1.112000       3.209000       1.008000     -0.1562000       1.501000
  1 1 1     -11   26    5 o    4.392000      0.6708000       2.958000 1.110000       5.826000      0.7539000      -2.867000       1.342000
  1 1 1     -11   26    6 o    3.828000      0.7036000       3.289000 1.090000       4.366000      0.8901000      -1.077000       1.407000
  1 1 1     -11   26    7 o    3.586000      0.7081000       3.013000 1.076000       4.159000      0.9209000      -1.146000       1.416000
  1 1 1     -11   26    8 o    2.665000      0.7314000       2.986000 1.106000       2.344000      0.9579000      0.6419000       1.463000
  1 1 1     -11   26    9 o    1.822000      0.6013000       2.152000 0.9571000       1.492000      0.7281000      0.6605000       1.203000
  1 1 1     -11   26   10 o    2.273000      0.6965000       2.355000 1.015000       2.190000      0.9536000      0.1647000       1.393000
  1 1 1     -11   27    1 o    2.675000      0.7736000       2.635000 1.096000       2.716000       1.092000     -0.8121000E-01   1.547000
  1 1 1     -11   27    2 o    2.971000       1.054000                  ?       ?   2.971000       1.054000                  ?              ?
  1 1 1     -11   27    3 o    2.576000      0.7211000       1.998000 0.9343000       3.154000       1.099000      -1.155000       1.442000
  1 1 1     -11   27    4 o    2.595000      0.7275000       2.347000 1.020000       2.842000       1.038000     -0.4950000       1.455000
  1 1 1     -11   27    5 o    2.642000       1.165000       2.642000 1.165000                  ?              ?              ?              ?
  1 1 1     -10  -36    1 o    3.180000      0.8046000       3.043000 1.160000       3.318000       1.115000     -0.2752000       1.609000
  1 1 1     -10  -36    2 o    2.302000      0.7028000       2.177000 0.9873000       2.428000       1.001000     -0.2510000       1.406000
  1 1 1     -10  -36    3 o    2.407000      0.7331000       2.772000 1.135000       2.041000      0.9288000      0.7316000       1.466000
  1 1 1     -10  -36    4 f    2.441000      0.7431000       2.443000 1.072000       2.440000       1.030000      0.2331000E-02   1.486000
  1 1 1     -10  -36    5 o    2.577000      0.7538000       2.685000 1.095000       2.468000       1.036000      0.2162000       1.508000
  1 1 1     -10  -36    6 o    2.097000      0.6640000       2.215000 0.9718000       1.978000      0.9052000      0.2367000       1.328000
  1 1 1     -10  -36    7 f    2.660000      0.8159000       2.795000 1.253000       2.524000       1.046000      0.2710000       1.632000
  1 1 1     -10  -35    1 o    3.053000      0.7825000       2.861000 1.139000       3.245000       1.073000     -0.3835000       1.565000
  1 1 1     -10  -35    2 o    3.081000      0.7456000       2.399000 1.053000       3.762000       1.056000      -1.363000       1.491000
  1 1 1     -10  -35    3 f    2.655000      0.7526000       2.383000 1.053000       2.928000       1.075000     -0.5458000       1.505000
  1 1 1     -10  -35    4 o    3.265000      0.7620000       2.860000 1.111000       3.670000       1.043000     -0.8108000       1.524000
  1 1 1     -10  -35    5 o    5.150000      0.6308000       4.893000 0.9764000       5.407000      0.7989000     -0.5147000       1.262000
  1 1 1     -10  -35    6 o    3.558000      0.7206000       2.849000 1.084000       4.267000      0.9492000      -1.418000       1.441000
  1 1 1     -10  -35    7 o    3.259000      0.7541000       3.075000 1.083000       3.443000       1.049000     -0.3671000       1.508000
  1 1 1     -10  -35    8 o    3.266000      0.7645000       3.125000 1.087000       3.408000       1.075000     -0.2831000       1.529000
  1 1 1     -10  -35    9 o    5.804000      0.5861000       6.252000 0.7505000       5.356000      0.9005000      0.8962000       1.172000
  1 1 1     -10  -35   10 o    4.021000      0.7462000       4.258000 1.008000       3.783000       1.100000      0.4744000       1.492000
  1 1 1     -10  -35   11 o    3.274000      0.7448000       2.802000 1.045000       3.745000       1.061000     -0.9426000       1.490000
  1 1 1     -10  -34    1 o    2.843000      0.7177000       2.687000 1.054000       2.998000      0.9741000     -0.3107000       1.435000
  1 1 1     -10  -34    2 o    2.579000      0.7147000       2.980000 1.095000       2.179000      0.9195000      0.8012000       1.429000
  1 1 1     -10  -34    3 o    2.520000      0.7109000       2.443000 1.031000       2.597000      0.9787000     -0.1536000       1.422000
  1 1 1     -10  -34    4 o    3.925000      0.7010000       4.828000 0.9647000       3.021000       1.017000       1.807000       1.402000
  1 1 1     -10  -34    5 o    4.060000      0.6632000       2.933000 1.081000       5.187000      0.7681000      -2.254000       1.326000
  1 1 1     -10  -34    6 o    2.863000      0.7136000       2.406000 0.9974000       3.319000       1.021000     -0.9127000       1.427000
  1 1 1     -10  -34    7 o    1.940000      0.6308000       2.039000 0.9345000       1.841000      0.8475000      0.1982000       1.262000
  1 1 1     -10  -34    8 o    3.713000      0.7148000       2.796000 1.096000       4.631000      0.9181000      -1.835000       1.430000
  1 1 1     -10  -34    9 o    4.355000      0.7173000       4.567000 0.9877000       4.144000       1.040000      0.4234000       1.435000
  1 1 1     -10  -34   10 o    3.096000      0.7581000       3.157000 1.065000       3.036000       1.079000      0.1204000       1.516000
  1 1 1     -10  -34   11 o    2.389000      0.7024000       2.624000 1.042000       2.154000      0.9424000      0.4700000       1.405000
  1 1 1     -10  -34   12 o    2.208000      0.6787000       2.183000 0.9435000       2.233000      0.9760000     -0.4931000E-01   1.357000
  1 1 1     -10  -34   13 o    4.184000      0.6580000       3.903000 0.9468000       4.465000      0.9139000     -0.5619000       1.316000
  1 1 1     -10  -34   14 f    4.723000      0.6550000       5.861000 0.6966000       3.585000       1.109000       2.276000       1.310000
  1 1 1     -10  -33    1 o    2.102000      0.6438000       2.380000 0.9949000       1.825000      0.8173000      0.5553000       1.288000
  1 1 1     -10  -33    2 o    2.238000      0.6647000       2.027000 0.9222000       2.449000      0.9575000     -0.4218000       1.329000
  1 1 1     -10  -33    3 o    2.122000      0.6297000       1.763000 0.8318000       2.481000      0.9456000     -0.7173000       1.259000
  1 1 1     -10  -33    4 o    3.258000      0.7130000       3.661000 1.042000       2.855000      0.9731000      0.8060000       1.426000
  1 1 1     -10  -33    5 o    3.983000      0.6694000       4.073000 0.9701000       3.893000      0.9226000      0.1801000       1.339000
  1 1 1     -10  -33    6 o    4.805000      0.5720000       4.811000 0.8908000       4.799000      0.7179000      0.1238000E-01   1.144000
  1 1 1     -10  -33    7 o    2.582000      0.6943000       2.291000 0.9985000       2.873000      0.9648000     -0.5822000       1.389000
  1 1 1     -10  -33    8 o    1.954000      0.6307000       2.328000 1.012000       1.580000      0.7528000      0.7480000       1.261000
  1 1 1     -10  -33    9 o    3.171000      0.7328000       3.394000 1.062000       2.948000       1.010000      0.4461000       1.466000
  1 1 1     -10  -33   10 o    3.357000      0.7223000       3.932000 0.9990000       2.782000       1.043000       1.150000       1.445000
  1 1 1     -10  -33   11 o    3.054000      0.6745000       4.245000 1.037000       1.862000      0.8625000       2.383000       1.349000
  1 1 1     -10  -33   12 o    3.877000      0.7108000       4.359000 0.9657000       3.395000       1.043000      0.9638000       1.422000
  1 1 1     -10  -33   13 o    3.149000      0.7158000       2.937000 0.9959000       3.361000       1.029000     -0.4238000       1.432000
  1 1 1     -10  -33   14 o    2.669000      0.7072000       2.302000 0.9615000       3.036000       1.037000     -0.7337000       1.414000
  1 1 1     -10  -33   15 o    3.037000      0.7288000       3.490000 1.031000       2.584000       1.030000      0.9053000       1.458000
  1 1 1     -10  -33   16 o    2.533000      0.7091000       2.611000 0.9987000       2.455000       1.007000      0.1552000       1.418000
  1 1 1     -10  -33   17 o    2.051000       1.007000       2.051000 1.007000                  ?              ?              ?              ?
  1 1 1     -10  -32    1 o    2.408000      0.6385000       2.361000 0.9352000       2.455000      0.8696000     -0.9401000E-01   1.277000
  1 1 1     -10  -32    2 o    2.480000      0.6288000       2.217000 0.9183000       2.744000      0.8592000     -0.5270000       1.258000
  1 1 1     -10  -32    3 o    1.866000      0.5820000       1.967000 0.8688000       1.764000      0.7746000      0.2029000       1.164000
  1 1 1     -10  -32    4 f    3.081000      0.6029000       2.416000 0.9570000       3.746000      0.7336000      -1.331000       1.206000
  1 1 1     -10  -32    5 o    3.970000      0.6037000       4.153000 0.8940000       3.786000      0.8116000      0.3666000       1.207000
  1 1 1     -10  -32    6 o    2.365000      0.6733000       2.418000 0.9921000       2.312000      0.9106000      0.1052000       1.347000
  1 1 1     -10  -32    7 f    1.946000      0.6058000       2.144000 0.9213000       1.747000      0.7869000      0.3969000       1.212000
  1 1 1     -10  -32    8 o    3.179000      0.6808000       3.747000 0.9966000       2.612000      0.9277000       1.135000       1.362000
  1 1 1     -10  -32    9 o    3.055000      0.6992000       3.278000 1.010000       2.832000      0.9676000      0.4463000       1.398000
  1 1 1     -10  -32   10 o    4.623000      0.5775000       4.556000 0.8419000       4.689000      0.7906000     -0.1331000       1.155000
  1 1 1     -10  -32   11 f    2.472000      0.6526000       3.189000 1.027000       1.755000      0.8061000       1.435000       1.305000
  1 1 1     -10  -32   12 o    4.186000      0.6381000       3.813000 1.008000       4.559000      0.7829000     -0.7465000       1.276000
  1 1 1     -10  -32   13 o    2.350000      0.6776000       2.170000 0.9344000       2.530000      0.9814000     -0.3602000       1.355000
  1 1 1     -10  -32   14 o    1.770000      0.5784000       1.780000 0.8208000       1.761000      0.8152000      0.1827000E-01   1.157000
  1 1 1     -10  -32   15 o    4.522000      0.9464000       4.522000 0.9464000                  ?              ?              ?              ?
  1 1 1     -10  -32   16 o    3.138000      0.7161000       3.229000 1.002000       3.046000       1.023000      0.1828000       1.432000
  1 1 1     -10  -32   17 o    3.237000       1.037000                  ?       ?   3.237000       1.037000                  ?              ?
  1 1 1     -10  -32   18 o    3.935000      0.6485000       3.365000 0.9747000       4.505000      0.8555000      -1.140000       1.297000
  1 1 1     -10  -32   19 o    2.708000       1.238000       2.708000 1.238000                  ?              ?              ?              ?
  1 1 1     -10  -31    1 o    3.204000      0.6318000       2.907000 0.9940000       3.502000      0.7801000     -0.5945000       1.264000
  1 1 1     -10  -31    2 o    3.992000      0.5419000       3.734000 0.8755000       4.250000      0.6389000     -0.5155000       1.084000
  1 1 1     -10  -31    3 o    3.918000      0.5169000       4.264000 0.7707000       3.572000      0.6891000      0.6924000       1.034000
  1 1 1     -10  -31    4 o    3.117000      0.6055000       3.122000 0.9403000       3.113000      0.7631000      0.8828000E-02   1.211000
  1 1 1     -10  -31    5 o    3.529000      0.5866000       3.820000 0.8860000       3.237000      0.7690000      0.5824000       1.173000
  1 1 1     -10  -31    6 o    2.541000      0.6093000       2.026000 0.8720000       3.055000      0.8513000      -1.029000       1.219000
  1 1 1     -10  -31    7 o    1.955000      0.5891000       2.004000 0.8572000       1.905000      0.8082000      0.9900000E-01   1.178000
  1 1 1     -10  -31    8 o    1.955000      0.5874000       2.267000 0.9064000       1.643000      0.7475000      0.6247000       1.175000
  1 1 1     -10  -31    9 o    2.144000      0.5785000       2.900000 0.9403000       1.387000      0.6742000       1.513000       1.157000
  1 1 1     -10  -31   10 o    2.730000      0.6619000       2.793000 0.9520000       2.668000      0.9199000      0.1247000       1.324000
  1 1 1     -10  -31   11 o    4.074000      0.5679000       4.753000 0.6966000       3.394000      0.8970000       1.359000       1.136000
  1 1 1     -10  -31   12 o    6.150000      0.4188000       6.529000 0.5870000       5.771000      0.5976000      0.7572000      0.8376000
  1 1 1     -10  -31   13 f    3.500000      0.6833000       3.946000 0.9416000       3.054000      0.9906000      0.8917000       1.367000
  1 1 1     -10  -31   14 o    6.144000      0.4390000       6.260000 0.5877000       6.027000      0.6523000      0.2333000      0.8781000
  1 1 1     -10  -31   15 f    5.115000      0.6760000       5.115000 0.6760000                  ?              ?              ?              ?
  1 1 1     -10  -31   16 o    2.160000      0.6633000       2.126000 0.9290000       2.193000      0.9468000     -0.6772000E-01   1.327000
  1 1 1     -10  -31   17 o    1.870000      0.8641000                  ?       ?   1.870000      0.8641000                  ?              ?
  1 1 1     -10  -31   18 o    2.829000      0.7036000       2.609000 0.9976000       3.049000      0.9926000     -0.4404000       1.407000
  1 1 1     -10  -31   19 o    2.365000      0.6446000       2.772000 0.9578000       1.957000      0.8629000      0.8151000       1.289000
  1 1 1     -10  -31   20 o    2.706000      0.6879000       2.144000 0.9302000       3.269000       1.014000      -1.125000       1.376000
  1 1 1     -10  -30    1 o    2.392000      0.6650000       1.642000 0.8074000       3.141000       1.057000      -1.500000       1.330000
  1 1 1     -10  -30    2 o    2.693000      0.7256000       2.376000 0.9835000       3.010000       1.067000     -0.6338000       1.451000
  1 1 1     -10  -30    3 o    3.812000      0.7486000       3.895000 1.080000       3.728000       1.037000      0.1669000       1.497000
  1 1 1     -10  -30    4 o    4.409000      0.6746000       3.437000 1.072000       5.381000      0.8195000      -1.944000       1.349000
  1 1 1     -10  -30    5 o    4.852000      0.5063000       4.722000 0.8807000       4.982000      0.4998000     -0.2597000       1.013000
  1 1 1     -10  -30    6 o    1.926000      0.5673000       2.242000 0.8760000       1.610000      0.7212000      0.6324000       1.135000
  1 1 1     -10  -30    7 o    4.462000      0.4341000       4.097000 0.6972000       4.826000      0.5172000     -0.7296000      0.8681000
  1 1 1     -10  -30    8 o    5.643000      0.3663000       6.065000 0.5128000       5.220000      0.5233000      0.8456000      0.7326000
  1 1 1     -10  -30    9 f    8.255000      0.3162000       8.535000 0.4861000       7.975000      0.4044000      0.5596000      0.6323000
  1 1 1     -10  -30   10 o    9.227000      0.2847000       9.015000 0.4132000       9.439000      0.3918000     -0.4234000      0.5694000
  1 1 1     -10  -30   11 o    5.736000      0.3884000       6.228000 0.4912000       5.244000      0.6017000      0.9840000      0.7768000
  1 1 1     -10  -30   12 o    5.915000      0.3800000       6.075000 0.4968000       5.756000      0.5751000      0.3189000      0.7600000
  1 1 1     -10  -30   13 o    6.477000      0.3523000       7.185000 0.4556000       5.768000      0.5374000       1.417000      0.7045000
  1 1 1     -10  -30   14 f    4.590000      0.5315000       4.649000 0.7297000       4.531000      0.7731000      0.1183000       1.063000
  1 1 1     -10  -30   15 o    1.699000      0.5508000       1.945000 0.8420000       1.452000      0.7102000      0.4938000       1.102000
  1 1 1     -10  -30   16 o    3.139000      0.6409000       3.350000 0.8700000       2.927000      0.9413000      0.4234000       1.282000
  1 1 1     -10  -30   17 o    2.470000      0.6772000       2.347000 0.9408000       2.594000      0.9744000     -0.2467000       1.354000
  1 1 1     -10  -30   18 o    4.202000      0.6355000       3.930000 0.9475000       4.475000      0.8472000     -0.5449000       1.271000
  1 1 1     -10  -30   19 o    2.588000      0.6632000       2.056000 0.8939000       3.119000      0.9800000      -1.063000       1.326000
  1 1 1     -10  -30   20 f    2.516000      0.6218000       3.191000 0.9289000       1.842000      0.8270000       1.349000       1.244000
  1 1 1     -10  -30   21 o    2.354000      0.6726000       2.183000 0.9242000       2.525000      0.9775000     -0.3421000       1.345000
  1 1 1     -10  -30   22 o    2.253000      0.6530000       2.550000 0.9637000       1.956000      0.8815000      0.5937000       1.306000
  1 1 1     -10  -29    1 o    2.239000      0.5479000       2.003000 0.8122000       2.474000      0.7356000     -0.4718000       1.096000
  1 1 1     -10  -29    2 o    3.813000      0.4822000       3.600000 0.7995000       4.027000      0.5393000     -0.4269000      0.9644000
  1 1 1     -10  -29    3 o    3.967000      0.4712000       4.335000 0.6804000       3.599000      0.6519000      0.7355000      0.9423000
  1 1 1     -10  -29    4 o    2.928000      0.5285000       2.555000 0.8341000       3.301000      0.6491000     -0.7455000       1.057000
  1 1 1     -10  -29    5 o    2.030000      0.5667000       1.993000 0.8085000       2.066000      0.7943000     -0.7337000E-01   1.133000
  1 1 1     -10  -29    6 f    2.253000      0.5366000       1.665000 0.7402000       2.841000      0.7770000      -1.175000       1.073000
  1 1 1     -10  -29    7 o    4.188000      0.5203000       2.959000 0.8062000       5.417000      0.6579000      -2.458000       1.041000
  1 1 1     -10  -29    8 o    5.912000      0.4055000       6.431000 0.5260000       5.392000      0.6173000       1.039000      0.8110000
  1 1 1     -10  -29    9 o    6.330000      0.4039000       5.529000 0.5705000       7.131000      0.5718000      -1.602000      0.8078000
  1 1 1     -10  -29   10 o    6.562000      0.3728000       6.537000 0.4591000       6.587000      0.5874000     -0.5074000E-01  0.7455000
  1 1 1     -10  -29   11 o    2.454000      0.6461000       2.654000 0.8875000       2.254000      0.9391000      0.4007000       1.292000
  1 1 1     -10  -29   12 o    2.196000      0.5472000       2.808000 0.8158000       1.583000      0.7295000       1.225000       1.094000
  1 1 1     -10  -29   13 o    4.173000      0.5037000       4.429000 0.6093000       3.918000      0.8022000      0.5111000       1.007000
  1 1 1     -10  -29   14 o    6.613000      0.3332000       7.049000 0.4360000       6.176000      0.5041000      0.8729000      0.6665000
  1 1 1     -10  -29   15 o    2.540000      0.5870000       3.052000 0.8208000       2.028000      0.8393000       1.024000       1.174000
  1 1 1     -10  -29   16 o    2.918000      0.6444000       3.210000 0.8803000       2.626000      0.9413000      0.5844000       1.289000
  1 1 1     -10  -29   17 o    1.768000      0.5556000       2.067000 0.8602000       1.469000      0.7034000      0.5979000       1.111000
  1 1 1     -10  -29   18 o    3.014000      0.6445000       2.994000 0.9343000       3.035000      0.8881000     -0.4097000E-01   1.289000
  1 1 1     -10  -29   19 o    2.343000      0.6414000       2.834000 0.9768000       1.851000      0.8314000      0.9831000       1.283000
  1 1 1     -10  -29   20 o    2.444000      0.6512000       2.228000 0.8972000       2.660000      0.9440000     -0.4319000       1.302000
  1 1 1     -10  -29   21 o    2.694000      0.6762000       2.299000 0.9290000       3.089000      0.9827000     -0.7897000       1.352000
  1 1 1     -10  -29   22 o    2.094000      0.6340000       2.052000 0.8864000       2.136000      0.9068000     -0.8329000E-01   1.268000
  1 1 1     -10  -29   23 o    1.874000      0.5802000       2.191000 0.8852000       1.557000      0.7502000      0.6342000       1.160000
  1 1 1     -10  -28    1 o    6.044000      0.4164000       5.303000 0.6950000       6.785000      0.4588000      -1.482000      0.8327000
  1 1 1     -10  -28    2 o    13.63000      0.3491000       13.12000 0.5176000       14.14000      0.4688000      -1.025000      0.6983000
  1 1 1     -10  -28    3 o    4.283000      0.5828000       4.656000 0.9144000       3.910000      0.7229000      0.7462000       1.166000
  1 1 1     -10  -28    4 o    3.542000      0.6034000       3.425000 0.9931000       3.658000      0.6856000     -0.2329000       1.207000
  1 1 1     -10  -28    5 o    5.039000      0.5492000       5.109000 0.8786000       4.970000      0.6593000      0.1399000       1.098000
  1 1 1     -10  -28    6 o    4.517000      0.5858000       4.115000 0.9868000       4.919000      0.6316000     -0.8032000       1.172000
  1 1 1     -10  -28    7 o    3.173000      0.7003000       4.265000 1.095000       2.081000      0.8736000       2.183000       1.401000
  1 1 1     -10  -28    8 f    1.945000      0.5242000       1.619000 0.7020000       2.271000      0.7787000     -0.6520000       1.048000
  1 1 1     -10  -28    9 o    3.072000      0.5058000       3.207000 0.6890000       2.938000      0.7406000      0.2693000       1.012000
  1 1 1     -10  -28   10 o    2.482000      0.5320000       2.867000 0.7205000       2.098000      0.7829000      0.7689000       1.064000
  1 1 1     -10  -28   11 o    4.995000      0.3570000       5.329000 0.4533000       4.660000      0.5515000      0.6692000      0.7139000
  1 1 1     -10  -28   12 o    4.171000      0.4269000       4.477000 0.5252000       3.866000      0.6731000      0.6113000      0.8538000
  1 1 1     -10  -28   13 o    6.091000      0.3982000       6.404000 0.4404000       5.778000      0.6635000      0.6268000      0.7964000
  1 1 1     -10  -28   14 o    1.883000      0.5789000       1.747000 0.7410000       2.020000      0.8896000     -0.2732000       1.158000
  1 1 1     -10  -28   15 o    4.833000      0.5511000       5.088000 0.5681000       4.578000      0.9444000      0.5095000       1.102000
  1 1 1     -10  -28   16 o    5.095000      0.5785000       5.095000 0.5785000                  ?              ?              ?              ?
  1 1 1     -10  -28   17 o    3.880000      0.5085000       4.712000 0.5728000       3.048000      0.8405000       1.664000       1.017000
  1 1 1     -10  -28   18 o    2.371000      0.8962000                  ?       ?   2.371000      0.8962000                  ?              ?
  1 1 1     -10  -28   19 o    2.299000      0.6444000       2.277000 0.9144000       2.322000      0.9081000     -0.4450000E-01   1.289000
  1 1 1     -10  -28   20 o    3.319000      0.6142000       3.960000 0.7980000       2.677000      0.9339000       1.282000       1.228000
  1 1 1     -10  -28   21 o    2.108000      0.6327000       2.125000 0.9015000       2.090000      0.8880000      0.3456000E-01   1.265000
  1 1 1     -10  -28   22 o    2.671000      0.6807000       2.901000 0.9721000       2.441000      0.9531000      0.4598000       1.361000
  1 1 1     -10  -28   23 o    5.132000      0.4755000       5.224000 0.6300000       5.040000      0.7123000      0.1841000      0.9510000
  1 1 1     -10  -28   24 o    2.627000      0.6985000       2.667000 0.9844000       2.588000      0.9914000      0.7983000E-01   1.397000
  1 1 1     -10  -27    1 o    6.736000      0.2701000       6.650000 0.4140000       6.823000      0.3472000     -0.1738000      0.5403000
  1 1 1     -10  -27    2 o    7.568000      0.2467000       7.496000 0.3814000       7.641000      0.3129000     -0.1452000      0.4933000
  1 1 1     -10  -27    3 o    7.929000      0.2333000       7.833000 0.3432000       8.025000      0.3161000     -0.1913000      0.4665000
  1 1 1     -10  -27    4 o    4.741000      0.3157000       5.143000 0.4215000       4.339000      0.4701000      0.8037000      0.6314000
  1 1 1     -10  -27    5 o    2.823000      0.4660000       2.837000 0.6634000       2.808000      0.6546000      0.2977000E-01  0.9320000
  1 1 1     -10  -27    6 o    6.032000      0.2734000       5.771000 0.3990000       6.293000      0.3738000     -0.5214000      0.5467000
  1 1 1     -10  -27    7 f    6.289000      0.2746000       6.031000 0.4010000       6.547000      0.3752000     -0.5160000      0.5492000
  1 1 1     -10  -27    8 f    7.962000      0.2535000       8.069000 0.3610000       7.855000      0.3561000      0.2138000      0.5070000
  1 1 1     -10  -27    9 o    3.015000      0.6837000       3.966000 1.078000       2.064000      0.8408000       1.903000       1.367000
  1 1 1     -10  -27   10 o    2.172000      0.6627000       2.063000 0.9650000       2.282000      0.9084000     -0.2189000       1.325000
  1 1 1     -10  -27   11 o    2.159000      0.6668000       2.478000 1.058000       1.841000      0.8123000      0.6374000       1.334000
  1 1 1     -10  -27   12 o    3.473000      0.6374000       2.201000 1.024000       4.744000      0.7597000      -2.543000       1.275000
  1 1 1     -10  -27   13 o    5.764000      0.3058000       5.880000 0.4057000       5.647000      0.4577000      0.2328000      0.6116000
  1 1 1     -10  -27   14 f    2.315000      0.5753000       2.518000 0.7969000       2.112000      0.8300000      0.4056000       1.151000
  1 1 1     -10  -27   15 o    2.032000      0.5491000       1.551000 0.6946000       2.513000      0.8507000     -0.9620000       1.098000
  1 1 1     -10  -27   16 o    1.679000      0.7340000       1.679000 0.7340000                  ?              ?              ?              ?
  1 1 1     -10  -27   17 o    3.622000      0.6661000       3.223000 0.8053000       4.021000       1.061000     -0.7978000       1.332000
  1 1 1     -10  -27   18 o    3.902000       1.074000                  ?       ?   3.902000       1.074000                  ?              ?
  1 1 1     -10  -27   19 o    3.307000      0.7055000       3.554000 0.8704000       3.059000       1.111000      0.4953000       1.411000
  1 1 1     -10  -27   20 o    4.512000      0.4826000       4.518000 0.6659000       4.505000      0.6985000      0.1344000E-01  0.9651000
  1 1 1     -10  -27   21 o    2.327000      0.6458000       2.324000 0.9023000       2.330000      0.9241000     -0.6480000E-02   1.292000
  1 1 1     -10  -27   22 o    3.400000      0.6397000       2.767000 0.9288000       4.034000      0.8800000      -1.267000       1.279000
  1 1 1     -10  -27   23 o    2.729000      0.6693000       2.486000 0.9283000       2.971000      0.9644000     -0.4852000       1.339000
  1 1 1     -10  -27   24 o    2.714000      0.6653000       2.074000 0.8824000       3.354000      0.9960000      -1.280000       1.331000
  1 1 1     -10  -27   25 o    2.539000      0.6715000       2.754000 0.9527000       2.324000      0.9467000      0.4294000       1.343000
  1 1 1     -10  -27   26 o    2.172000      0.6390000       1.784000 0.8648000       2.561000      0.9410000     -0.7766000       1.278000
  1 1 1     -10  -26    1 o    5.088000      0.2974000       4.825000 0.4744000       5.350000      0.3590000     -0.5248000      0.5949000
  1 1 1     -10  -26    2 o    4.545000      0.2939000       4.714000 0.4347000       4.376000      0.3958000      0.3386000      0.5879000
  1 1 1     -10  -26    3 o    10.67000      0.2103000       10.51000 0.3049000       10.82000      0.2898000     -0.3145000      0.4206000
  1 1 1     -10  -26    4 o    1.946000      0.4882000       1.944000 0.6984000       1.948000      0.6822000     -0.4630000E-02  0.9763000
  1 1 1     -10  -26    5 o    4.704000      0.2912000       4.679000 0.4232000       4.729000      0.4001000     -0.4986000E-01  0.5824000
  1 1 1     -10  -26    6 o    6.854000      0.2331000       6.421000 0.3309000       7.286000      0.3283000     -0.8651000      0.4661000
  1 1 1     -10  -26    7 o    8.190000      0.2227000       8.228000 0.3136000       8.151000      0.3164000      0.7678000E-01  0.4455000
  1 1 1     -10  -26    8 o    4.098000      0.3411000       3.832000 0.4978000       4.364000      0.4666000     -0.5311000      0.6823000
  1 1 1     -10  -26    9 o    2.828000      0.4833000       3.082000 0.6115000       2.574000      0.7487000      0.5076000      0.9667000
  1 1 1     -10  -26   10 o    4.185000      0.3789000       3.748000 0.5751000       4.622000      0.4936000     -0.8747000      0.7579000
  1 1 1     -10  -26   11 o    1.705000      0.5024000       1.697000 0.7036000       1.713000      0.7175000     -0.1594000E-01   1.005000
  1 1 1     -10  -26   12 f    2.778000      0.5251000       2.474000 0.7652000       3.083000      0.7194000     -0.6091000       1.050000
  1 1 1     -10  -26   13 o    4.155000      0.3674000       4.200000 0.4505000       4.110000      0.5805000      0.9028000E-01  0.7348000
  1 1 1     -10  -26   14 o    2.703000      0.7129000       2.343000 1.051000       3.064000      0.9638000     -0.7204000       1.426000
  1 1 1     -10  -26   15 o    4.438000      0.6897000       5.230000 1.036000       3.645000      0.9112000       1.585000       1.379000
  1 1 1     -10  -26   16 o    2.092000      0.6782000       2.252000 1.038000       1.931000      0.8728000      0.3217000       1.356000
  1 1 1     -10  -26   17 o    3.231000      0.5460000       3.593000 0.6797000       2.869000      0.8547000      0.7242000       1.092000
  1 1 1     -10  -26   18 o    2.992000      0.6060000       2.683000 0.8768000       3.301000      0.8367000     -0.6185000       1.212000
  1 1 1     -10  -26   19 o    6.599000      0.3421000       6.805000 0.4815000       6.393000      0.4860000      0.4117000      0.6842000
  1 1 1     -10  -26   20 o    3.829000      0.6925000       3.395000 0.8675000       4.262000       1.080000     -0.8667000       1.385000
  1 1 1     -10  -26   21 o    3.665000      0.7479000       3.359000 0.9057000       3.971000       1.190000     -0.6118000       1.496000
  1 1 1     -10  -26   22 o    3.312000      0.6596000       3.534000 0.9045000       3.090000      0.9602000      0.4441000       1.319000
  1 1 1     -10  -26   23 o    2.386000      0.6556000       2.343000 0.8921000       2.429000      0.9610000     -0.8552000E-01   1.311000
  1 1 1     -10  -26   24 o    2.469000      0.6353000       2.945000 0.9212000       1.993000      0.8752000      0.9515000       1.271000
  1 1 1     -10  -26   25 o    1.972000      0.5946000       2.082000 0.8513000       1.862000      0.8303000      0.2200000       1.189000
  1 1 1     -10  -26   26 f    1.967000      0.5968000       1.462000 0.7064000       2.473000      0.9622000      -1.011000       1.194000
  1 1 1     -10  -26   27 o    2.566000      0.6361000       3.310000 0.9612000       1.822000      0.8336000       1.488000       1.272000
  1 1 1     -10  -25    1 o    2.928000      0.4184000       3.283000 0.5662000       2.574000      0.6162000      0.7089000      0.8368000
  1 1 1     -10  -25    2 o    3.657000      0.3254000       3.787000 0.4322000       3.527000      0.4865000      0.2598000      0.6507000
  1 1 1     -10  -25    3 o    2.343000      0.4633000       2.360000 0.6652000       2.326000      0.6451000      0.3402000E-01  0.9266000
  1 1 1     -10  -25    4 o    4.268000      0.2978000       4.664000 0.3897000       3.871000      0.4504000      0.7934000      0.5956000
  1 1 1     -10  -25    5 o    3.857000      0.3181000       4.133000 0.4209000       3.581000      0.4771000      0.5512000      0.6362000
  1 1 1     -10  -25    6 o    2.150000      0.4916000       2.206000 0.6638000       2.094000      0.7253000      0.1122000      0.9833000
  1 1 1     -10  -25    7 o    4.786000      0.2941000       4.436000 0.4282000       5.135000      0.4034000     -0.6990000      0.5883000
  1 1 1     -10  -25    8 o    6.060000      0.2441000       6.203000 0.3306000       5.918000      0.3593000      0.2848000      0.4882000
  1 1 1     -10  -25    9 o    2.659000      0.4896000       2.167000 0.7091000       3.151000      0.6752000     -0.9839000      0.9792000
  1 1 1     -10  -25   10 o    1.576000      0.4778000       1.487000 0.6434000       1.666000      0.7065000     -0.1792000      0.9556000
  1 1 1     -10  -25   11 o    3.474000      0.4525000       4.595000 0.4536000       2.353000      0.7832000       2.241000      0.9051000
  1 1 1     -10  -25   12 o    4.997000      0.3290000       4.945000 0.4584000       5.050000      0.4721000     -0.1045000      0.6580000
  1 1 1     -10  -25   13 o    4.294000      0.3776000       4.041000 0.5629000       4.547000      0.5036000     -0.5062000      0.7553000
  1 1 1     -10  -25   14 o    4.622000      0.3692000       4.521000 0.5124000       4.722000      0.5315000     -0.2008000      0.7383000
  1 1 1     -10  -25   15 o    2.287000      0.5255000       1.476000 0.6766000       3.098000      0.8042000      -1.622000       1.051000
  1 1 1     -10  -25   16 o    1.775000      0.5305000       1.541000 0.7015000       2.009000      0.7960000     -0.4676000       1.061000
  1 1 1     -10  -25   17 o    3.238000      0.8025000       4.324000 1.322000       2.153000      0.9104000       2.170000       1.605000
  1 1 1     -10  -25   18 o    3.981000      0.7280000       3.551000 1.227000       4.412000      0.7834000     -0.8610000       1.456000
  1 1 1     -10  -25   19 o    2.940000      0.7559000       2.390000 1.091000       3.491000       1.047000      -1.101000       1.512000
  1 1 1     -10  -25   20 o    3.333000      0.5696000       3.594000 0.7501000       3.072000      0.8573000      0.5223000       1.139000
  1 1 1     -10  -25   21 o    2.806000      0.6118000       2.195000 0.8509000       3.417000      0.8793000      -1.221000       1.224000
  1 1 1     -10  -25   22 o    6.587000      0.5251000       7.094000 0.5357000       6.080000      0.9033000       1.014000       1.050000
  1 1 1     -10  -25   23 o    5.242000      0.6812000       6.233000 0.5890000       4.250000       1.229000       1.983000       1.362000
  1 1 1     -10  -25   24 o    3.080000      0.7371000       2.906000 0.9259000       3.254000       1.147000     -0.3475000       1.474000
  1 1 1     -10  -25   25 o    2.455000      0.6518000       2.433000 0.8975000       2.477000      0.9455000     -0.4450000E-01   1.304000
  1 1 1     -10  -25   26 o    3.220000      0.6698000       3.145000 0.9306000       3.296000      0.9637000     -0.1509000       1.340000
  1 1 1     -10  -25   27 o    2.959000      0.6727000       3.355000 0.9277000       2.562000      0.9744000      0.7930000       1.345000
  1 1 1     -10  -25   28 o    2.290000      0.6533000       2.447000 0.9406000       2.133000      0.9068000      0.3140000       1.307000
  1 1 1     -10  -24    1 o    4.016000      0.2827000       3.805000 0.4406000       4.226000      0.3543000     -0.4210000      0.5654000
  1 1 1     -10  -24    2 f    3.693000      0.3075000       3.752000 0.4530000       3.634000      0.4160000      0.1179000      0.6151000
  1 1 1     -10  -24    3 o    2.148000      0.4474000       2.299000 0.6193000       1.998000      0.6457000      0.3002000      0.8947000
  1 1 1     -10  -24    4 o    1.786000      0.4489000       1.564000 0.6046000       2.008000      0.6636000     -0.4444000      0.8977000
  1 1 1     -10  -24    5 o    2.279000      0.4645000       2.097000 0.6404000       2.460000      0.6731000     -0.3629000      0.9290000
  1 1 1     -10  -24    6 o    7.618000      0.2131000       7.666000 0.2993000       7.569000      0.3035000      0.9668000E-01  0.4262000
  1 1 1     -10  -24    7 o    5.278000      0.2634000       5.176000 0.3740000       5.381000      0.3709000     -0.2049000      0.5268000
  1 1 1     -10  -24    8 o    4.606000      0.2812000       4.561000 0.3810000       4.650000      0.4136000     -0.8949000E-01  0.5623000
  1 1 1     -10  -24    9 o    8.209000      0.2313000       8.056000 0.3250000       8.362000      0.3293000     -0.3059000      0.4627000
  1 1 1     -10  -24   10 f    5.575000      0.2841000       5.173000 0.4043000       5.977000      0.3992000     -0.8040000      0.5682000
  1 1 1     -10  -24   11 o    1.950000      0.5130000       1.983000 0.7267000       1.917000      0.7243000      0.6643000E-01   1.026000
  1 1 1     -10  -24   12 o    9.965000      0.2331000       10.10000 0.3299000       9.827000      0.3296000      0.2763000      0.4663000
  1 1 1     -10  -24   13 o    2.254000      0.5388000       2.412000 0.7337000       2.096000      0.7893000      0.3157000       1.078000
  1 1 1     -10  -24   14 o    2.575000      0.5378000       2.645000 0.7306000       2.505000      0.7894000      0.1403000       1.076000
  1 1 1     -10  -24   15 f    4.290000      0.3923000       4.400000 0.5257000       4.179000      0.5825000      0.2211000      0.7846000
  1 1 1     -10  -24   16 o    7.868000      0.2763000       7.860000 0.3898000       7.876000      0.3916000     -0.1635000E-01  0.5525000
  1 1 1     -10  -24   17 f    8.116000      0.3975000       8.116000 0.3975000                  ?              ?              ?              ?
  1 1 1     -10  -24   18 o    7.273000      0.3115000       7.767000 0.4136000       6.779000      0.4658000      0.9882000      0.6229000
  1 1 1     -10  -24   19 o    1.759000      0.7611000                  ?       ?   1.759000      0.7611000                  ?              ?
  1 1 1     -10  -24   20 o    3.319000      0.8242000       3.683000 1.279000       2.955000       1.040000      0.7287000       1.648000
  1 1 1     -10  -24   21 o    3.191000      0.7650000       3.865000 1.177000       2.518000      0.9777000       1.347000       1.530000
  1 1 1     -10  -24   22 o    3.952000      0.5652000       3.964000 0.7402000       3.940000      0.8544000      0.2355000E-01   1.130000
  1 1 1     -10  -24   23 o    3.130000      0.6082000       3.028000 0.8045000       3.233000      0.9124000     -0.2054000       1.216000
  1 1 1     -10  -24   24 o    2.736000      0.5962000       2.036000 0.8386000       3.437000      0.8477000      -1.401000       1.192000
  1 1 1     -10  -24   25 o    1.937000      0.6413000       1.577000 0.7519000       2.297000       1.039000     -0.7193000       1.283000
  1 1 1     -10  -24   26 f    4.030000      0.7332000       3.850000 0.9591000       4.211000       1.109000     -0.3607000       1.466000
  1 1 1     -10  -24   27 o    1.837000      0.5790000       1.824000 0.8045000       1.851000      0.8328000     -0.2727000E-01   1.158000
  1 1 1     -10  -24   28 o    4.357000      0.5807000       3.602000 0.9139000       5.111000      0.7166000      -1.508000       1.161000
  1 1 1     -10  -24   29 o    2.377000      0.7218000       2.735000 1.139000       2.018000      0.8866000      0.7168000       1.444000
  1 1 1     -10  -23    1 o    3.887000      0.2664000       4.050000 0.3729000       3.724000      0.3805000      0.3264000      0.5328000
  1 1 1     -10  -23    2 o    2.300000      0.4152000       2.652000 0.5389000       1.949000      0.6318000      0.7032000      0.8304000
  1 1 1     -10  -23    3 o    1.898000      0.4024000       2.446000 0.5594000       1.349000      0.5786000       1.097000      0.8048000
  1 1 1     -10  -23    4 o    1.206000      0.3857000       1.374000 0.5886000       1.037000      0.4987000      0.3375000      0.7714000
  1 1 1     -10  -23    5 o    5.703000      0.2391000       5.935000 0.3089000       5.472000      0.3652000      0.4625000      0.4783000
  1 1 1     -10  -23    6 o    3.961000      0.3201000       4.195000 0.3901000       3.726000      0.5075000      0.4697000      0.6401000
  1 1 1     -10  -23    7 o    6.649000      0.2352000       6.728000 0.3273000       6.571000      0.3378000      0.1568000      0.4703000
  1 1 1     -10  -23    8 o    10.22000      0.2166000       9.977000 0.3093000       10.45000      0.3034000     -0.4761000      0.4333000
  1 1 1     -10  -23    9 o    4.883000      0.4193000       5.550000 0.3736000       4.216000      0.7508000       1.334000      0.8386000
  1 1 1     -10  -23   10 o    5.382000      0.2760000       5.389000 0.3842000       5.376000      0.3962000      0.1332000E-01  0.5519000
  1 1 1     -10  -23   11 o    8.061000      0.2403000       7.973000 0.3365000       8.149000      0.3433000     -0.1758000      0.4807000
  1 1 1     -10  -23   12 o    5.293000      0.3166000       5.170000 0.4444000       5.415000      0.4509000     -0.2447000      0.6331000
  1 1 1     -10  -23   13 f    6.232000      0.2860000       6.093000 0.4044000       6.371000      0.4046000     -0.2778000      0.5721000
  1 1 1     -10  -23   14 o    4.084000      0.4078000       4.164000 0.5508000       4.004000      0.6016000      0.1592000      0.8156000
  1 1 1     -10  -23   15 o    6.465000      0.3021000       6.278000 0.4151000       6.653000      0.4389000     -0.3751000      0.6041000
  1 1 1     -10  -23   16 o    6.928000      0.2863000       7.186000 0.3887000       6.671000      0.4203000      0.5147000      0.5725000
  1 1 1     -10  -23   17 o    6.539000      0.4040000       6.539000 0.4040000                  ?              ?              ?              ?
  1 1 1     -10  -23   18 o    2.450000      0.5642000       2.180000 0.7835000       2.720000      0.8120000     -0.5393000       1.128000
  1 1 1     -10  -23   19 o    2.985000      0.8320000                  ?       ?   2.985000      0.8320000                  ?              ?
  1 1 1     -10  -23   20 o    3.882000      0.4981000       4.135000 0.5888000       3.629000      0.8034000      0.5064000      0.9961000
  1 1 1     -10  -23   21 o    1.860000      0.5576000       1.692000 0.7469000       2.028000      0.8282000     -0.3357000       1.115000
  1 1 1     -10  -23   22 o    2.498000      0.7501000       2.941000 1.191000       2.054000      0.9123000      0.8871000       1.500000
  1 1 1     -10  -23   23 o    4.419000      0.7530000       4.480000 1.166000       4.358000      0.9527000      0.1212000       1.506000
  1 1 1     -10  -23   24 o    8.142000      0.3165000       8.545000 0.4258000       7.739000      0.4684000      0.8059000      0.6330000
  1 1 1     -10  -23   25 o    3.087000      0.6151000       2.202000 0.8747000       3.972000      0.8652000      -1.770000       1.230000
  1 1 1     -10  -23   26 o    2.476000      0.7242000       2.150000 0.8684000       2.802000       1.159000     -0.6520000       1.448000
  1 1 1     -10  -23   27 o    2.759000      0.7440000       1.851000 0.8574000       3.666000       1.216000      -1.815000       1.488000
  1 1 1     -10  -23   28 o    2.519000      0.6810000       2.118000 0.9320000       2.921000      0.9932000     -0.8029000       1.362000
  1 1 1     -10  -23   29 o    2.484000      0.6703000       2.250000 0.9088000       2.718000      0.9856000     -0.4680000       1.341000
  1 1 1     -10  -22    1 o    3.909000      0.2506000       4.189000 0.3454000       3.630000      0.3634000      0.5588000      0.5013000
  1 1 1     -10  -22    2 o    4.090000      0.2414000       4.163000 0.3332000       4.016000      0.3494000      0.1470000      0.4828000
  1 1 1     -10  -22    3 o    3.766000      0.2698000       3.938000 0.3574000       3.594000      0.4043000      0.3438000      0.5396000
  1 1 1     -10  -22    4 o    3.444000      0.3043000       3.730000 0.4023000       3.157000      0.4568000      0.5731000      0.6087000
  1 1 1     -10  -22    5 o    2.476000      0.4256000       2.710000 0.5546000       2.242000      0.6456000      0.4678000      0.8511000
  1 1 1     -10  -22    6 o    4.803000      0.2688000       4.741000 0.3466000       4.866000      0.4110000     -0.1246000      0.5376000
  1 1 1     -10  -22    7 o    7.626000      0.2178000       7.832000 0.2996000       7.421000      0.3161000      0.4102000      0.4355000
  1 1 1     -10  -22    8 o    5.135000      0.2904000       5.678000 0.3481000       4.592000      0.4649000       1.086000      0.5808000
  1 1 1     -10  -22    9 o    4.278000      0.3181000       4.394000 0.4138000       4.163000      0.4832000      0.2317000      0.6361000
  1 1 1     -10  -22   10 o    2.962000      0.4772000       3.315000 0.6005000       2.608000      0.7418000      0.7064000      0.9544000
  1 1 1     -10  -22   11 o    2.313000      0.5243000       1.973000 0.7254000       2.654000      0.7572000     -0.6807000       1.049000
  1 1 1     -10  -22   12 o    4.801000      0.3173000       4.968000 0.4287000       4.635000      0.4678000      0.3332000      0.6345000
  1 1 1     -10  -22   13 o    7.981000      0.2412000       7.956000 0.3285000       8.005000      0.3531000     -0.4868000E-01  0.4823000
  1 1 1     -10  -22   14 o    5.525000      0.3051000       5.381000 0.4062000       5.669000      0.4554000     -0.2886000      0.6102000
  1 1 1     -10  -22   15 o    6.202000      0.2943000       6.415000 0.3803000       5.988000      0.4492000      0.4270000      0.5885000
  1 1 1     -10  -22   16 o    8.719000      0.2454000       8.649000 0.3410000       8.789000      0.3530000     -0.1404000      0.4908000
  1 1 1     -10  -22   17 o    5.075000      0.3562000       5.623000 0.4268000       4.527000      0.5703000       1.096000      0.7123000
  1 1 1     -10  -22   18 o    6.613000      0.3043000       6.853000 0.4147000       6.374000      0.4454000      0.4791000      0.6086000
  1 1 1     -10  -22   19 f    3.187000      0.5283000       3.152000 0.7245000       3.222000      0.7691000     -0.7070000E-01   1.057000
  1 1 1     -10  -22   20 o    3.434000      0.5243000       3.296000 0.7247000       3.572000      0.7578000     -0.2755000       1.049000
  1 1 1     -10  -22   21 o    1.990000      0.5684000       1.899000 0.7778000       2.081000      0.8290000     -0.1820000       1.137000
  1 1 1     -10  -22   22 o    5.831000      0.3564000       5.484000 0.4989000       6.178000      0.5091000     -0.6944000      0.7128000
  1 1 1     -10  -22   23 o    1.476000      0.4913000       1.538000 0.7075000       1.413000      0.6818000      0.1248000      0.9825000
  1 1 1     -10  -22   24 o    3.112000      0.7718000       3.871000 1.198000       2.354000      0.9733000       1.517000       1.544000
  1 1 1     -10  -22   25 o    2.842000      0.8041000       3.476000 1.282000       2.208000      0.9709000       1.268000       1.608000
  1 1 1     -10  -22   26 o    3.627000      0.6084000       3.812000 0.8090000       3.441000      0.9090000      0.3709000       1.217000
  1 1 1     -10  -22   27 o    2.286000      0.6106000       1.583000 0.7370000       2.989000      0.9736000      -1.406000       1.221000
  1 1 1     -10  -22   28 o    2.988000      0.7694000       2.202000 0.9457000       3.774000       1.214000      -1.572000       1.539000
  1 1 1     -10  -22   29 o    3.230000      0.7873000       3.417000 1.061000       3.043000       1.164000      0.3736000       1.575000
  1 1 1     -10  -22   30 o    2.643000      0.6037000       3.397000 0.8655000       1.888000      0.8419000       1.509000       1.207000
  1 1 1     -10  -21    1 o    6.026000      0.2351000       5.932000 0.3159000       6.120000      0.3482000     -0.1882000      0.4701000
  1 1 1     -10  -21    2 o    2.145000      0.4056000       1.889000 0.5903000       2.400000      0.5563000     -0.5110000      0.8111000
  1 1 1     -10  -21    3 o    5.021000      0.2117000       5.117000 0.2856000       4.924000      0.3125000      0.1938000      0.4234000
  1 1 1     -10  -21    4 o    2.981000      0.3451000       3.548000 0.3818000       2.415000      0.5751000       1.133000      0.6903000
  1 1 1     -10  -21    5 o    3.802000      0.2842000       3.889000 0.3808000       3.714000      0.4220000      0.1749000      0.5684000
  1 1 1     -10  -21    6 o    4.781000      0.2574000       4.930000 0.3490000       4.633000      0.3784000      0.2963000      0.5148000
  1 1 1     -10  -21    7 o    3.507000      0.3420000       3.513000 0.4589000       3.502000      0.5073000      0.1188000E-01  0.6840000
  1 1 1     -10  -21    8 o    5.716000      0.2421000       5.812000 0.3270000       5.619000      0.3572000      0.1925000      0.4843000
  1 1 1     -10  -21    9 o    1.839000      0.4854000       1.962000 0.6933000       1.716000      0.6794000      0.2456000      0.9707000
  1 1 1     -10  -21   10 o    2.178000      0.4916000       2.032000 0.6850000       2.324000      0.7054000     -0.2926000      0.9833000
  1 1 1     -10  -21   11 o    2.487000      0.5048000       2.865000 0.6578000       2.109000      0.7658000      0.7557000       1.010000
  1 1 1     -10  -21   12 o    6.075000      0.2751000       5.888000 0.3847000       6.262000      0.3935000     -0.3741000      0.5503000
  1 1 1     -10  -21   13 o    6.774000      0.2569000       6.151000 0.3740000       7.396000      0.3522000      -1.245000      0.5137000
  1 1 1     -10  -21   14 o    5.867000      0.2923000       6.113000 0.3787000       5.620000      0.4453000      0.4922000      0.5846000
  1 1 1     -10  -21   15 o    2.798000      0.5070000       3.097000 0.6429000       2.500000      0.7842000      0.5975000       1.014000
  1 1 1     -10  -21   16 o    5.684000      0.3073000       5.837000 0.4063000       5.530000      0.4611000      0.3070000      0.6146000
  1 1 1     -10  -21   17 o    2.405000      0.5441000       2.559000 0.7703000       2.251000      0.7688000      0.3080000       1.088000
  1 1 1     -10  -21   18 f    9.950000      0.2618000       10.51000 0.3614000       9.388000      0.3787000       1.125000      0.5235000
  1 1 1     -10  -21   19 o    7.979000      0.2773000       8.500000 0.3723000       7.458000      0.4112000       1.042000      0.5547000
  1 1 1     -10  -21   20 o    8.556000      0.2685000       8.655000 0.3716000       8.457000      0.3876000      0.1977000      0.5369000
  1 1 1     -10  -21   21 o    8.141000      0.2842000       8.152000 0.3946000       8.130000      0.4091000      0.2241000E-01  0.5684000
  1 1 1     -10  -21   22 o    5.104000      0.3899000       5.405000 0.4867000       4.804000      0.6092000      0.6018000      0.7797000
  1 1 1     -10  -21   23 o    2.249000      0.6086000       2.249000 0.8373000       2.249000      0.8834000     -0.1407000E-04   1.217000
  1 1 1     -10  -21   24 o    2.174000      0.5912000       1.534000 0.7155000       2.813000      0.9412000      -1.279000       1.182000
  1 1 1     -10  -21   25 o    3.322000      0.5817000       3.157000 0.7951000       3.488000      0.8493000     -0.3314000       1.163000
  1 1 1     -10  -21   26 o    2.182000      0.6963000       2.732000 1.147000       1.631000      0.7895000       1.100000       1.393000
  1 1 1     -10  -21   27 o    2.792000      0.6636000       2.588000 0.9121000       2.995000      0.9642000     -0.4069000       1.327000
  1 1 1     -10  -21   28 o    3.068000      0.6577000       3.313000 0.8723000       2.824000      0.9846000      0.4888000       1.315000
  1 1 1     -10  -21   29 o    1.913000      0.5724000       1.897000 0.8072000       1.928000      0.8118000     -0.3138000E-01   1.145000
  1 1 1     -10  -21   30 o    3.211000      0.7785000       3.049000 1.043000       3.374000       1.156000     -0.3251000       1.557000
  1 1 1     -10  -21   31 o    1.912000      0.5957000       1.748000 0.7982000       2.076000      0.8843000     -0.3287000       1.191000
  1 1 1     -10  -20    1 o    1.691000      0.3979000       1.505000 0.5622000       1.877000      0.5632000     -0.3726000      0.7958000
  1 1 1     -10  -20    2 o    9.617000      0.1848000       9.598000 0.2637000       9.636000      0.2588000     -0.3848000E-01  0.3695000
  1 1 1     -10  -20    3 o    4.785000      0.2542000       4.748000 0.2812000       4.821000      0.4235000     -0.7248000E-01  0.5083000
  1 1 1     -10  -20    4 o    1.981000      0.4654000       2.142000 0.5949000       1.819000      0.7159000      0.3226000      0.9308000
  1 1 1     -10  -20    5 o    2.584000      0.4359000       3.212000 0.4744000       1.956000      0.7315000       1.256000      0.8718000
  1 1 1     -10  -20    6 o    3.353000      0.4274000       2.948000 0.6026000       3.758000      0.6062000     -0.8097000      0.8548000
  1 1 1     -10  -20    7 o    9.327000      0.2088000       9.086000 0.2903000       9.568000      0.3000000     -0.4817000      0.4175000
  1 1 1     -10  -20    8 o    9.835000      0.2107000       9.449000 0.3010000       10.22000      0.2950000     -0.7728000      0.4215000
  1 1 1     -10  -20    9 o    6.423000      0.2444000       6.091000 0.3510000       6.755000      0.3401000     -0.6649000      0.4888000
  1 1 1     -10  -20   10 o    5.802000      0.2542000       5.696000 0.3670000       5.909000      0.3517000     -0.2129000      0.5083000
  1 1 1     -10  -20   11 o    11.93000      0.2315000       11.80000 0.3279000       12.06000      0.3270000     -0.2682000      0.4630000
  1 1 1     -10  -20   12 o    8.303000      0.2347000       8.203000 0.3370000       8.403000      0.3266000     -0.2002000      0.4693000
  1 1 1     -10  -20   13 o    6.202000      0.2664000       6.000000 0.3728000       6.405000      0.3807000     -0.4051000      0.5328000
  1 1 1     -10  -20   14 o    2.474000      0.5070000       1.958000 0.7092000       2.990000      0.7247000      -1.032000       1.014000
  1 1 1     -10  -20   15 o    2.352000      0.5282000       2.079000 0.7246000       2.626000      0.7686000     -0.5468000       1.056000
  1 1 1     -10  -20   16 o    6.225000      0.2832000       6.212000 0.3941000       6.238000      0.4067000     -0.2638000E-01  0.5663000
  1 1 1     -10  -20   17 o    2.551000      0.5138000       3.006000 0.6855000       2.095000      0.7656000      0.9113000       1.028000
  1 1 1     -10  -20   18 o    5.830000      0.4258000       5.830000 0.4258000                  ?              ?              ?              ?
  1 1 1     -10  -20   19 o    2.712000      0.5577000       2.236000 0.7882000       3.189000      0.7893000     -0.9535000       1.115000
  1 1 1     -10  -20   20 o    6.302000      0.2831000       6.148000 0.3608000       6.456000      0.4363000     -0.3079000      0.5661000
  1 1 1     -10  -20   21 o    7.005000      0.2993000       6.941000 0.4213000       7.068000      0.4253000     -0.1270000      0.5987000
  1 1 1     -10  -20   22 o    5.183000      0.3617000       5.317000 0.4699000       5.049000      0.5501000      0.2677000      0.7234000
  1 1 1     -10  -20   23 o    6.167000      0.3584000       6.072000 0.4856000       6.262000      0.5273000     -0.1901000      0.7168000
  1 1 1     -10  -20   24 o    5.534000      0.3925000       5.593000 0.5048000       5.475000      0.6011000      0.1184000      0.7850000
  1 1 1     -10  -20   25 o    10.25000      0.2928000       10.60000 0.4028000       9.903000      0.4252000      0.6926000      0.5857000
  1 1 1     -10  -20   26 o    3.346000      0.5981000       3.769000 0.7491000       2.922000      0.9326000      0.8471000       1.196000
  1 1 1     -10  -20   27 o    2.764000      0.7517000       3.270000 1.148000       2.259000      0.9711000       1.011000       1.503000
  1 1 1     -10  -20   28 o    4.645000      0.7540000       4.178000 1.163000       5.111000      0.9605000     -0.9326000       1.508000
  1 1 1     -10  -20   29 o    2.380000      0.6925000       2.233000 0.8908000       2.527000       1.060000     -0.2945000       1.385000
  1 1 1     -10  -20   30 o    2.999000      0.6524000       3.515000 0.8962000       2.484000      0.9482000       1.031000       1.305000
  1 1 1     -10  -20   31 o    2.130000      0.6633000       1.804000 0.8386000       2.455000       1.028000     -0.6510000       1.327000
  1 1 1     -10  -20   32 o    2.171000      0.6444000       2.982000 1.102000       1.359000      0.6687000       1.623000       1.289000
  1 1 1     -10  -19    1 o    4.947000      0.3211000       5.003000 0.5138000       4.892000      0.3851000      0.1106000      0.6421000
  1 1 1     -10  -19    2 o    8.036000      0.2868000       7.764000 0.4349000       8.308000      0.3741000     -0.5444000      0.5737000
  1 1 1     -10  -19    3 o    7.969000      0.2249000       7.667000 0.2567000       8.271000      0.3692000     -0.6037000      0.4497000
  1 1 1     -10  -19    4 o    7.669000      0.1842000       7.482000 0.2632000       7.855000      0.2577000     -0.3737000      0.3683000
  1 1 1     -10  -19    5 o    2.826000      0.3647000       3.361000 0.3973000       2.290000      0.6118000       1.072000      0.7295000
  1 1 1     -10  -19    6 o    1.702000      0.4124000       1.290000 0.5493000       2.115000      0.6152000     -0.8247000      0.8247000
  1 1 1     -10  -19    7 o    10.02000      0.2463000       9.991000 0.2859000       10.05000      0.4012000     -0.6051000E-01  0.4927000
  1 1 1     -10  -19    8 o    5.719000      0.2980000       5.454000 0.3855000       5.985000      0.4544000     -0.5317000      0.5959000
  1 1 1     -10  -19    9 o    4.679000      0.3600000       4.864000 0.4324000       4.494000      0.5757000      0.3701000      0.7200000
  1 1 1     -10  -19   10 o    8.832000      0.2433000       8.899000 0.3751000       8.765000      0.3101000      0.1346000      0.4867000
  1 1 1     -10  -19   11 o    11.14000      0.2258000       11.64000 0.3227000       10.64000      0.3159000       1.005000      0.4516000
  1 1 1     -10  -19   12 o    4.380000      0.3253000       4.378000 0.4333000       4.382000      0.4852000     -0.4005000E-02  0.6505000
  1 1 1     -10  -19   13 o    6.489000      0.2660000       6.604000 0.3607000       6.375000      0.3911000      0.2298000      0.5320000
  1 1 1     -10  -19   14 o    2.616000      0.5218000       2.447000 0.7290000       2.784000      0.7467000     -0.3364000       1.044000
  1 1 1     -10  -19   15 o    4.351000      0.3847000       4.648000 0.4643000       4.054000      0.6134000      0.5939000      0.7693000
  1 1 1     -10  -19   16 o    9.493000      0.2438000       9.922000 0.3432000       9.065000      0.3464000      0.8567000      0.4876000
  1 1 1     -10  -19   17 o    1.941000      0.4948000       1.316000 0.6187000       2.566000      0.7724000      -1.250000      0.9896000
  1 1 1     -10  -19   18 f    5.416000      0.4547000       5.416000 0.4547000                  ?              ?              ?              ?
  1 1 1     -10  -19   19 o    8.835000      0.2542000       8.643000 0.3585000       9.027000      0.3604000     -0.3839000      0.5083000
  1 1 1     -10  -19   20 o    2.304000      0.8196000                  ?       ?   2.304000      0.8196000                  ?              ?
  1 1 1     -10  -19   21 o    12.89000      0.2616000       13.00000 0.3687000       12.77000      0.3712000      0.2376000      0.5232000
  1 1 1     -10  -19   22 o    9.305000      0.2669000       9.296000 0.3698000       9.314000      0.3850000     -0.1831000E-01  0.5339000
  1 1 1     -10  -19   23 o    5.646000      0.3716000       5.478000 0.5138000       5.814000      0.5368000     -0.3358000      0.7431000
  1 1 1     -10  -19   24 o    6.630000      0.3423000       6.297000 0.4854000       6.964000      0.4828000     -0.6669000      0.6846000
  1 1 1     -10  -19   25 o    7.125000      0.3301000       7.166000 0.4228000       7.084000      0.5070000      0.8191000E-01  0.6602000
  1 1 1     -10  -19   26 o    5.189000      0.4383000       5.088000 0.6101000       5.290000      0.6294000     -0.2017000      0.8765000
  1 1 1     -10  -19   27 o    2.909000      0.6621000       3.113000 0.9012000       2.706000      0.9702000      0.4074000       1.324000
  1 1 1     -10  -19   28 o    3.168000      0.7978000       2.802000 1.156000       3.535000       1.100000     -0.7323000       1.596000
  1 1 1     -10  -19   29 o    5.116000      0.7109000       4.015000 1.191000       6.217000      0.7767000      -2.202000       1.422000
  1 1 1     -10  -19   30 o    3.163000      0.5611000       4.340000 0.7296000       1.987000      0.8526000       2.352000       1.122000
  1 1 1     -10  -19   31 o    2.929000      0.6368000       3.740000 0.8404000       2.119000      0.9568000       1.621000       1.274000
  1 1 1     -10  -19   32 o    2.346000      0.7148000       2.063000 0.9343000       2.629000       1.082000     -0.5653000       1.430000
  1 1 1     -10  -18    1 o    4.944000      0.1991000       4.996000 0.2806000       4.891000      0.2827000      0.1051000      0.3983000
  1 1 1     -10  -18    2 o    7.363000      0.1828000       7.213000 0.2581000       7.514000      0.2589000     -0.3009000      0.3656000
  1 1 1     -10  -18    3 o    7.453000      0.2507000       7.196000 0.4292000       7.711000      0.2590000     -0.5155000      0.5013000
  1 1 1     -10  -18    4 o    2.586000      0.5721000       3.017000 0.8734000       2.156000      0.7392000      0.8613000       1.144000
  1 1 1     -10  -18    5 o    5.502000      0.3414000       5.506000 0.5389000       5.498000      0.4192000      0.8668000E-02  0.6828000
  1 1 1     -10  -18    6 o    6.356000      0.3434000       6.042000 0.5655000       6.669000      0.3896000     -0.6268000      0.6868000
  1 1 1     -10  -18    7 o    8.380000      0.2051000       8.208000 0.2903000       8.552000      0.2898000     -0.3436000      0.4102000
  1 1 1     -10  -18    8 f    2.073000      0.4509000       2.285000 0.6135000       1.861000      0.6609000      0.4237000      0.9018000
  1 1 1     -10  -18    9 o    9.589000      0.2117000       9.363000 0.2988000       9.815000      0.3000000     -0.4526000      0.4235000
  1 1 1     -10  -18   10 o    2.876000      0.4890000       3.090000 0.5354000       2.663000      0.8183000      0.4270000      0.9779000
  1 1 1     -10  -18   11 f    8.645000      0.2909000       8.508000 0.3762000       8.781000      0.4439000     -0.2733000      0.5818000
  1 1 1     -10  -18   12 o    5.904000      0.3556000       6.046000 0.4261000       5.762000      0.5694000      0.2839000      0.7112000
  1 1 1     -10  -18   13 o    8.050000      0.2377000       8.109000 0.3287000       7.991000      0.3435000      0.1178000      0.4754000
  1 1 1     -10  -18   14 o    4.486000      0.3322000       4.323000 0.4534000       4.649000      0.4857000     -0.3259000      0.6644000
  1 1 1     -10  -18   15 o    8.433000      0.2390000       8.716000 0.3279000       8.150000      0.3478000      0.5665000      0.4780000
  1 1 1     -10  -18   16 o    4.374000      0.3512000       4.647000 0.4546000       4.102000      0.5354000      0.5450000      0.7023000
  1 1 1     -10  -18   17 o    1.522000      0.4659000       1.186000 0.5661000       1.859000      0.7402000     -0.6736000      0.9319000
  1 1 1     -10  -18   18 o    5.654000      0.3133000       5.916000 0.4365000       5.391000      0.4496000      0.5257000      0.6266000
  1 1 1     -10  -18   19 o    2.056000      0.5421000       2.135000 0.7614000       1.977000      0.7717000      0.1586000       1.084000
  1 1 1     -10  -18   20 o    11.41000      0.2436000       10.89000 0.3314000       11.94000      0.3571000      -1.049000      0.4871000
  1 1 1     -10  -18   21 o    9.570000      0.2626000       9.952000 0.3645000       9.189000      0.3782000      0.7630000      0.5253000
  1 1 1     -10  -18   22 o    5.583000      0.3432000       6.007000 0.4344000       5.159000      0.5313000      0.8480000      0.6863000
  1 1 1     -10  -18   23 o    4.948000      0.3805000       5.399000 0.4685000       4.497000      0.5998000      0.9024000      0.7610000
  1 1 1     -10  -18   24 o    8.275000      0.3074000       7.693000 0.4373000       8.857000      0.4322000      -1.164000      0.6148000
  1 1 1     -10  -18   25 o    2.995000      0.6210000       3.118000 0.8424000       2.871000      0.9125000      0.2473000       1.242000
  1 1 1     -10  -18   26 o    7.231000      0.3393000       7.194000 0.4583000       7.268000      0.5005000     -0.7329000E-01  0.6786000
  1 1 1     -10  -18   27 o    3.050000      0.6033000       3.831000 0.7970000       2.269000      0.9060000       1.562000       1.207000
  1 1 1     -10  -18   28 o    1.944000      0.6049000       1.773000 0.8043000       2.115000      0.9038000     -0.3414000       1.210000
  1 1 1     -10  -18   29 o    2.228000      0.6230000       1.764000 0.8648000       2.692000      0.8969000     -0.9281000       1.246000
  1 1 1     -10  -18   30 o    4.849000      0.7733000       5.427000 1.075000       4.271000       1.112000       1.155000       1.547000
  1 1 1     -10  -18   31 o    5.954000      0.4299000       6.800000 0.5389000       5.109000      0.6698000       1.691000      0.8597000
  1 1 1     -10  -18   32 o    3.432000      0.6404000       3.709000 0.8788000       3.156000      0.9316000      0.5537000       1.281000
  1 1 1     -10  -18   33 o    3.497000      0.7917000       3.274000 1.099000       3.720000       1.140000     -0.4465000       1.583000
  1 1 1     -10  -17    1 o    7.855000      0.1731000       7.751000 0.2474000       7.959000      0.2422000     -0.2072000      0.3463000
  1 1 1     -10  -17    2 o    3.221000      0.2772000       3.097000 0.3844000       3.345000      0.3994000     -0.2477000      0.5544000
  1 1 1     -10  -17    3 o    3.206000      0.3001000       3.518000 0.3685000       2.895000      0.4738000      0.6238000      0.6002000
  1 1 1     -10  -17    4 o    7.091000      0.1959000       7.145000 0.2787000       7.037000      0.2753000      0.1085000      0.3918000
  1 1 1     -10  -17    5 o    3.597000      0.2973000       3.795000 0.3902000       3.398000      0.4487000      0.3972000      0.5947000
  1 1 1     -10  -17    6 o    12.73000      0.2183000       12.97000 0.3134000       12.49000      0.3041000      0.4879000      0.4367000
  1 1 1     -10  -17    7 o    6.128000      0.3508000       6.048000 0.5518000       6.209000      0.4331000     -0.1613000      0.7015000
  1 1 1     -10  -17    8 o    4.109000      0.4814000       3.122000 0.8421000       5.096000      0.4666000      -1.975000      0.9628000
  1 1 1     -10  -17    9 o    2.950000      0.6007000       2.747000 0.9441000       3.154000      0.7428000     -0.4070000       1.201000
  1 1 1     -10  -17   10 o    7.317000      0.2239000       7.338000 0.3098000       7.296000      0.3235000      0.4233000E-01  0.4479000
  1 1 1     -10  -17   11 o    5.606000      0.2544000       6.004000 0.3408000       5.208000      0.3778000      0.7960000      0.5088000
  1 1 1     -10  -17   12 o    1.628000      0.4621000       1.807000 0.6752000       1.448000      0.6311000      0.3590000      0.9243000
  1 1 1     -10  -17   13 o    3.833000      0.5029000       3.907000 0.6032000       3.760000      0.8049000      0.1469000       1.006000
  1 1 1     -10  -17   14 o    7.020000      0.3197000       7.261000 0.4014000       6.779000      0.4977000      0.4820000      0.6394000
  1 1 1     -10  -17   15 o    3.514000      0.4253000       3.290000 0.6107000       3.739000      0.5922000     -0.4488000      0.8507000
  1 1 1     -10  -17   16 o    6.155000      0.2849000       6.166000 0.4049000       6.144000      0.4008000      0.2274000E-01  0.5698000
  1 1 1     -10  -17   17 o    4.954000      0.3335000       5.115000 0.4642000       4.793000      0.4789000      0.3222000      0.6669000
  1 1 1     -10  -17   18 o    2.156000      0.5293000       2.478000 0.7508000       1.833000      0.7463000      0.6450000       1.059000
  1 1 1     -10  -17   19 o    6.558000      0.2802000       6.331000 0.4009000       6.786000      0.3916000     -0.4550000      0.5604000
  1 1 1     -10  -17   20 o    13.88000      0.2593000       14.02000 0.3675000       13.74000      0.3657000      0.2733000      0.5185000
  1 1 1     -10  -17   21 o    6.590000      0.3024000       7.049000 0.4009000       6.131000      0.4529000      0.9185000      0.6049000
  1 1 1     -10  -17   22 o    9.440000      0.2611000       9.531000 0.3625000       9.350000      0.3757000      0.1810000      0.5221000
  1 1 1     -10  -17   23 f    11.90000      0.2629000       11.87000 0.3684000       11.93000      0.3751000     -0.5498000E-01  0.5258000
  1 1 1     -10  -17   24 o    5.114000      0.4151000       4.653000 0.6053000       5.575000      0.5681000     -0.9225000      0.8301000
  1 1 1     -10  -17   25 o    7.551000      0.3125000       7.562000 0.4241000       7.540000      0.4591000      0.2166000E-01  0.6250000
  1 1 1     -10  -17   26 o    2.163000      0.5731000       2.657000 0.8535000       1.669000      0.7650000      0.9880000       1.146000
  1 1 1     -10  -17   27 o    2.687000      0.6252000       2.368000 0.8712000       3.006000      0.8969000     -0.6374000       1.250000
  1 1 1     -10  -17   28 f    4.370000      0.5595000       5.459000 0.6056000       3.282000      0.9409000       2.177000       1.119000
  1 1 1     -10  -17   29 o    5.066000      0.5282000       5.347000 0.6624000       4.784000      0.8229000      0.5625000       1.056000
  1 1 1     -10  -17   30 o    9.488000      0.5005000       9.880000 0.7469000       9.095000      0.6665000      0.7845000       1.001000
  1 1 1     -10  -17   31 o    3.598000      0.8157000       3.033000 1.210000       4.164000       1.094000      -1.131000       1.631000
  1 1 1     -10  -17   32 o    3.014000      0.6447000       2.525000 0.9363000       3.502000      0.8865000     -0.9773000       1.289000
  1 1 1     -10  -17   33 o    3.069000      0.6781000       3.403000 0.9525000       2.735000      0.9653000      0.6675000       1.356000
  1 1 1     -10  -16    1 o    11.34000      0.1909000       11.59000 0.2727000       11.09000      0.2673000      0.4914000      0.3819000
  1 1 1     -10  -16    2 o    8.930000      0.1810000       8.860000 0.2556000       9.000000      0.2564000     -0.1391000      0.3620000
  1 1 1     -10  -16    3 o    13.81000      0.2174000       13.64000 0.3062000       13.99000      0.3087000     -0.3498000      0.4348000
  1 1 1     -10  -16    4 o    16.28000      0.2464000       16.08000 0.3472000       16.47000      0.3497000     -0.3898000      0.4928000
  1 1 1     -10  -16    5 o    1.332000      0.3965000       1.271000 0.5444000       1.393000      0.5765000     -0.1219000      0.7929000
  1 1 1     -10  -16    6 o    14.90000      0.2357000       14.95000 0.3351000       14.85000      0.3317000      0.1078000      0.4715000
  1 1 1     -10  -16    7 o    8.339000      0.1989000       8.192000 0.2813000       8.487000      0.2813000     -0.2949000      0.3979000
  1 1 1     -10  -16    8 o    9.843000      0.2060000       9.912000 0.2903000       9.775000      0.2922000      0.1372000      0.4119000
  1 1 1     -10  -16    9 o    2.220000      0.5571000       2.612000 0.8883000       1.829000      0.6726000      0.7837000       1.114000
  1 1 1     -10  -16   10 o    2.242000      0.5679000       2.012000 0.8226000       2.473000      0.7831000     -0.4607000       1.136000
  1 1 1     -10  -16   11 o    5.899000      0.3769000       5.297000 0.6114000       6.502000      0.4409000      -1.205000      0.7538000
  1 1 1     -10  -16   12 o    6.254000      0.2513000       6.138000 0.3568000       6.370000      0.3539000     -0.2322000      0.5026000
  1 1 1     -10  -16   13 o    7.291000      0.2362000       7.897000 0.3218000       6.685000      0.3459000       1.211000      0.4725000
  1 1 1     -10  -16   14 o    6.214000      0.3080000       6.137000 0.3407000       6.291000      0.5131000     -0.1543000      0.6159000
  1 1 1     -10  -16   15 o    10.45000      0.3073000       10.21000 0.4129000       10.70000      0.4553000     -0.4813000      0.6146000
  1 1 1     -10  -16   16 o    6.382000      0.2998000       6.611000 0.4575000       6.154000      0.3874000      0.4569000      0.5995000
  1 1 1     -10  -16   17 o    4.392000      0.3850000       4.214000 0.5563000       4.570000      0.5324000     -0.3558000      0.7700000
  1 1 1     -10  -16   18 o    1.978000      0.5315000       2.194000 0.7647000       1.762000      0.7382000      0.4321000       1.063000
  1 1 1     -10  -16   19 o    6.122000      0.2687000       6.246000 0.3833000       5.997000      0.3767000      0.2496000      0.5375000
  1 1 1     -10  -16   20 o    8.416000      0.2612000       8.160000 0.3691000       8.673000      0.3697000     -0.5132000      0.5224000
  1 1 1     -10  -16   21 o    9.711000      0.2548000       9.651000 0.3541000       9.771000      0.3665000     -0.1203000      0.5096000
  1 1 1     -10  -16   22 o    16.38000      0.2845000       16.10000 0.4008000       16.65000      0.4040000     -0.5468000      0.5691000
  1 1 1     -10  -16   23 o    9.824000      0.2721000       9.524000 0.3841000       10.12000      0.3856000     -0.5996000      0.5443000
  1 1 1     -10  -16   24 o    3.063000      0.5768000       3.007000 0.8143000       3.120000      0.8172000     -0.1126000       1.154000
  1 1 1     -10  -16   25 o    7.272000      0.3184000       7.493000 0.4352000       7.051000      0.4649000      0.4423000      0.6368000
  1 1 1     -10  -16   26 o    5.133000      0.4344000       4.592000 0.6613000       5.675000      0.5636000      -1.083000      0.8688000
  1 1 1     -10  -16   27 o    3.543000      0.6076000       3.915000 0.8049000       3.172000      0.9103000      0.7430000       1.215000
  1 1 1     -10  -16   28 o    9.646000      0.3151000       9.587000 0.4390000       9.706000      0.4522000     -0.1190000      0.6302000
  1 1 1     -10  -16   29 o    7.892000      0.3526000       7.786000 0.4816000       7.998000      0.5151000     -0.2121000      0.7052000
  1 1 1     -10  -16   30 o    7.001000      0.3926000       6.571000 0.5676000       7.432000      0.5427000     -0.8609000      0.7853000
  1 1 1     -10  -16   31 o    5.182000      0.7761000       6.097000 1.090000       4.267000       1.105000       1.830000       1.552000
  1 1 1     -10  -16   32 o    3.500000      0.8481000       3.991000 1.275000       3.009000       1.119000      0.9820000       1.696000
  1 1 1     -10  -16   33 o    1.873000      0.5821000       1.591000 0.7450000       2.155000      0.8945000     -0.5645000       1.164000
  1 1 1     -10  -16   34 o    2.280000      0.6268000       2.512000 0.9248000       2.048000      0.8464000      0.4639000       1.254000
  1 1 1     -10  -15    1 o    14.34000      0.2196000       13.98000 0.3054000       14.70000      0.3156000     -0.7225000      0.4392000
  1 1 1     -10  -15    2 f    4.961000      0.1991000       4.884000 0.2799000       5.038000      0.2831000     -0.1543000      0.3982000
  1 1 1     -10  -15    3 o    10.54000      0.1901000       10.45000 0.2693000       10.62000      0.2683000     -0.1751000      0.3801000
  1 1 1     -10  -15    4 o    3.579000      0.2834000       3.462000 0.4152000       3.697000      0.3860000     -0.2356000      0.5669000
  1 1 1     -10  -15    5 o    12.78000      0.2124000       12.76000 0.3008000       12.81000      0.3001000     -0.5002000E-01  0.4249000
  1 1 1     -10  -15    6 o    6.928000      0.2001000       6.756000 0.2829000       7.099000      0.2832000     -0.3429000      0.4003000
  1 1 1     -10  -15    7 o    1.264000      0.3949000       1.102000 0.5148000       1.425000      0.5989000     -0.3228000      0.7897000
  1 1 1     -10  -15    8 o    3.619000      0.3137000       3.807000 0.4282000       3.431000      0.4585000      0.3766000      0.6274000
  1 1 1     -10  -15    9 o    10.98000      0.2128000       11.26000 0.3054000       10.70000      0.2964000      0.5619000      0.4256000
  1 1 1     -10  -15   10 o    6.741000      0.2275000       7.023000 0.3069000       6.458000      0.3358000      0.5647000      0.4549000
  1 1 1     -10  -15   11 o    8.616000      0.2797000       8.739000 0.4662000       8.494000      0.3092000      0.2441000      0.5594000
  1 1 1     -10  -15   12 o    9.040000      0.3154000       9.249000 0.4714000       8.831000      0.4192000      0.4178000      0.6308000
  1 1 1     -10  -15   13 o    5.498000      0.4174000       5.307000 0.6776000       5.690000      0.4877000     -0.3829000      0.8349000
  1 1 1     -10  -15   14 o    4.609000      0.3161000       4.862000 0.4179000       4.356000      0.4744000      0.5058000      0.6322000
  1 1 1     -10  -15   15 o    8.913000      0.2383000       8.842000 0.3344000       8.984000      0.3395000     -0.1420000      0.4765000
  1 1 1     -10  -15   16 f    6.968000      0.3537000       7.219000 0.4366000       6.717000      0.5567000      0.5022000      0.7074000
  1 1 1     -10  -15   17 o    3.189000      0.5516000       2.390000 0.7865000       3.988000      0.7737000      -1.598000       1.103000
  1 1 1     -10  -15   18 o    8.606000      0.2452000       8.324000 0.3461000       8.888000      0.3474000     -0.5645000      0.4904000
  1 1 1     -10  -15   19 o    2.076000      0.7800000       2.076000 0.7800000                  ?              ?              ?              ?
  1 1 1     -10  -15   20 o    9.977000      0.2541000       10.16000 0.3476000       9.792000      0.3709000      0.3700000      0.5083000
  1 1 1     -10  -15   21 o    16.64000      0.3955000                  ?       ?   16.64000      0.3955000                  ?              ?
  1 1 1     -10  -15   22 o    12.31000      0.2614000       12.06000 0.3738000       12.57000      0.3656000     -0.5093000      0.5228000
  1 1 1     -10  -15   23 o    1.696000      0.5169000       1.387000 0.6542000       2.005000      0.8003000     -0.6177000       1.034000
  1 1 1     -10  -15   24 o    3.852000      0.5081000       4.213000 0.6428000       3.490000      0.7871000      0.7226000       1.016000
  1 1 1     -10  -15   25 o    9.625000      0.2805000       9.358000 0.3976000       9.891000      0.3957000     -0.5327000      0.5610000
  1 1 1     -10  -15   26 o    8.711000      0.3065000       8.902000 0.4252000       8.520000      0.4415000      0.3825000      0.6129000
  1 1 1     -10  -15   27 o    4.405000      0.5169000       4.158000 0.7719000       4.652000      0.6877000     -0.4938000       1.034000
  1 1 1     -10  -15   28 o    10.22000      0.2992000       9.834000 0.4268000       10.61000      0.4194000     -0.7741000      0.5984000
  1 1 1     -10  -15   29 o    5.605000      0.4596000       6.405000 0.5488000       4.806000      0.7375000       1.599000      0.9193000
  1 1 1     -10  -15   30 o    1.529000      0.5200000       1.429000 0.6950000       1.629000      0.7738000     -0.1993000       1.040000
  1 1 1     -10  -15   31 o    9.236000      0.3273000       9.282000 0.4528000       9.191000      0.4727000      0.9071000E-01  0.6546000
  1 1 1     -10  -15   32 f    4.556000      0.7735000       3.603000 1.275000       5.509000      0.8760000      -1.906000       1.547000
  1 1 1     -10  -15   33 o    2.293000      0.6190000       1.947000 0.8385000       2.639000      0.9108000     -0.6913000       1.238000
  1 1 1     -10  -15   34 o    3.134000      0.6483000       3.539000 0.8819000       2.728000      0.9506000      0.8108000       1.297000
  1 1 1     -10  -14    1 o    6.997000      0.2352000       7.531000 0.3968000       6.463000      0.2525000       1.068000      0.4703000
  1 1 1     -10  -14    2 o    17.57000      0.2564000       17.57000 0.3635000       17.56000      0.3619000      0.6712000E-02  0.5129000
  1 1 1     -10  -14    3 o    11.35000      0.1956000       11.72000 0.2812000       10.97000      0.2719000      0.7558000      0.3912000
  1 1 1     -10  -14    4 o    7.864000      0.1859000       7.733000 0.2623000       7.995000      0.2635000     -0.2624000      0.3718000
  1 1 1     -10  -14    5 f    19.78000      0.2861000       19.58000 0.4017000       19.98000      0.4075000     -0.3978000      0.5722000
  1 1 1     -10  -14    6 o    7.746000      0.2411000       7.450000 0.2711000       8.042000      0.3988000     -0.5922000      0.4822000
  1 1 1     -10  -14    7 o    10.88000      0.2027000       10.81000 0.2849000       10.96000      0.2884000     -0.1537000      0.4054000
  1 1 1     -10  -14    8 o    13.22000      0.2252000       13.15000 0.3186000       13.28000      0.3183000     -0.1257000      0.4503000
  1 1 1     -10  -14    9 o    4.217000      0.2892000       3.686000 0.4402000       4.747000      0.3753000      -1.061000      0.5785000
  1 1 1     -10  -14   10 o    7.164000      0.2144000       6.820000 0.2986000       7.508000      0.3078000     -0.6884000      0.4288000
  1 1 1     -10  -14   11 o    10.41000      0.2162000       10.56000 0.3083000       10.27000      0.3033000      0.2876000      0.4325000
  1 1 1     -10  -14   12 o    2.802000      0.4346000       2.591000 0.6302000       3.012000      0.5986000     -0.4213000      0.8692000
  1 1 1     -10  -14   13 o    7.382000      0.3524000       7.505000 0.5258000       7.259000      0.4693000      0.2461000      0.7048000
  1 1 1     -10  -14   14 o    4.711000      0.5260000       3.974000 0.8879000       5.449000      0.5640000      -1.475000       1.052000
  1 1 1     -10  -14   15 o    5.176000      0.2877000       5.377000 0.3913000       4.975000      0.4219000      0.4019000      0.5754000
  1 1 1     -10  -14   16 o    7.727000      0.2365000       7.848000 0.3249000       7.607000      0.3438000      0.2408000      0.4731000
  1 1 1     -10  -14   17 o    4.830000      0.4628000       4.602000 0.5817000       5.058000      0.7200000     -0.4557000      0.9256000
  1 1 1     -10  -14   18 o    6.667000      0.3660000       6.413000 0.4941000       6.921000      0.5401000     -0.5079000      0.7320000
  1 1 1     -10  -14   19 o    3.096000      0.5533000       2.732000 0.7447000       3.459000      0.8185000     -0.7273000       1.107000
  1 1 1     -10  -14   20 o    5.301000      0.3297000       5.663000 0.4264000       4.940000      0.5030000      0.7234000      0.6594000
  1 1 1     -10  -14   21 o    12.29000      0.3637000                  ?       ?   12.29000      0.3637000                  ?              ?
  1 1 1     -10  -14   22 o    2.158000      0.5707000       2.458000 0.8359000       1.859000      0.7773000      0.5987000       1.141000
  1 1 1     -10  -14   23 o    2.468000      0.5769000       2.867000 0.8207000       2.069000      0.8110000      0.7986000       1.154000
  1 1 1     -10  -14   24 o    4.864000      0.3825000       5.071000 0.5077000       4.656000      0.5723000      0.4145000      0.7651000
  1 1 1     -10  -14   25 o    11.23000      0.2672000       11.08000 0.3771000       11.38000      0.3785000     -0.2997000      0.5343000
  1 1 1     -10  -14   26 o    8.264000      0.2996000       7.977000 0.4241000       8.551000      0.4231000     -0.5736000      0.5991000
  1 1 1     -10  -14   27 o    6.860000      0.3417000       6.705000 0.4847000       7.015000      0.4818000     -0.3099000      0.6834000
  1 1 1     -10  -14   28 o    3.052000      0.6094000       3.598000 0.8293000       2.506000      0.8931000       1.091000       1.219000
  1 1 1     -10  -14   29 o    4.180000      0.5812000       3.800000 0.8690000       4.559000      0.7720000     -0.7584000       1.162000
  1 1 1     -10  -14   30 o    3.869000      0.6037000       3.033000 0.9148000       4.705000      0.7880000      -1.672000       1.207000
  1 1 1     -10  -14   31 o    4.218000      0.6051000       4.257000 0.8462000       4.179000      0.8653000      0.7813000E-01   1.210000
  1 1 1     -10  -14   32 o    2.125000      0.6299000       2.110000 0.8870000       2.140000      0.8947000     -0.2919000E-01   1.260000
  1 1 1     -10  -14   33 o    2.522000      0.7562000       2.766000 1.148000       2.279000      0.9851000      0.4867000       1.512000
  1 1 1     -10  -14   34 o    3.493000      0.6224000       4.075000 0.8072000       2.911000      0.9476000       1.164000       1.245000
  1 1 1     -10  -14   35 o    2.450000      0.6463000       2.949000 0.9807000       1.952000      0.8419000      0.9979000       1.293000
  1 1 1     -10  -13    1 o    3.377000      0.2534000       3.346000 0.3550000       3.408000      0.3617000     -0.6178000E-01  0.5068000
  1 1 1     -10  -13    2 o    8.116000      0.1771000       8.153000 0.2554000       8.079000      0.2452000      0.7381000E-01  0.3541000
  1 1 1     -10  -13    3 o    21.21000      0.3012000       21.16000 0.4253000       21.27000      0.4265000     -0.1092000      0.6024000
  1 1 1     -10  -13    4 o    20.10000      0.2886000       20.09000 0.4084000       20.11000      0.4080000     -0.1814000E-01  0.5773000
  1 1 1     -10  -13    5 o    12.28000      0.2079000       12.27000 0.2959000       12.30000      0.2921000     -0.3427000E-01  0.4158000
  1 1 1     -10  -13    6 o    1.992000      0.4149000       2.322000 0.5591000       1.662000      0.6131000      0.6603000      0.8297000
  1 1 1     -10  -13    7 o    2.593000      0.3795000       3.304000 0.4251000       1.882000      0.6289000       1.422000      0.7591000
  1 1 1     -10  -13    8 o    11.14000      0.2066000       11.07000 0.2893000       11.20000      0.2951000     -0.1295000      0.4133000
  1 1 1     -10  -13    9 o    9.403000      0.2037000       9.428000 0.2891000       9.379000      0.2871000      0.4856000E-01  0.4075000
  1 1 1     -10  -13   10 o    7.848000      0.2140000       7.787000 0.2992000       7.910000      0.3061000     -0.1232000      0.4281000
  1 1 1     -10  -13   11 o    14.58000      0.2397000       14.51000 0.3382000       14.65000      0.3398000     -0.1375000      0.4794000
  1 1 1     -10  -13   12 o    4.667000      0.2836000       4.681000 0.3952000       4.653000      0.4069000      0.2797000E-01  0.5672000
  1 1 1     -10  -13   13 o    7.409000      0.2309000       7.646000 0.3153000       7.172000      0.3375000      0.4741000      0.4619000
  1 1 1     -10  -13   14 o    8.575000      0.3318000       8.636000 0.4870000       8.513000      0.4509000      0.1228000      0.6637000
  1 1 1     -10  -13   15 o    6.087000      0.4037000       6.448000 0.5877000       5.727000      0.5537000      0.7213000      0.8074000
  1 1 1     -10  -13   16 o    7.518000      0.2457000       7.608000 0.3430000       7.427000      0.3519000      0.1812000      0.4914000
  1 1 1     -10  -13   17 o    8.126000      0.2439000       8.108000 0.3398000       8.145000      0.3499000     -0.3734000E-01  0.4877000
  1 1 1     -10  -13   18 o    5.005000      0.4044000       4.797000 0.5473000       5.213000      0.5954000     -0.4161000      0.8087000
  1 1 1     -10  -13   19 o    3.995000      0.5705000       3.890000 0.7347000       4.099000      0.8730000     -0.2098000       1.141000
  1 1 1     -10  -13   20 o    6.544000      0.2842000       6.344000 0.4088000       6.745000      0.3948000     -0.4014000      0.5683000
  1 1 1     -10  -13   21 o    8.372000      0.2639000       8.441000 0.3767000       8.302000      0.3698000      0.1400000      0.5278000
  1 1 1     -10  -13   22 o    4.926000      0.3831000       4.785000 0.5659000       5.068000      0.5166000     -0.2829000      0.7662000
  1 1 1     -10  -13   23 o    7.106000      0.2958000       7.145000 0.4229000       7.067000      0.4136000      0.7773000E-01  0.5915000
  1 1 1     -10  -13   24 o    5.505000      0.3614000       5.109000 0.5376000       5.900000      0.4831000     -0.7904000      0.7228000
  1 1 1     -10  -13   25 o    13.46000      0.2718000       13.41000 0.3841000       13.52000      0.3846000     -0.1057000      0.5436000
  1 1 1     -10  -13   26 o    5.591000      0.3847000       5.183000 0.5775000       5.998000      0.5085000     -0.8149000      0.7695000
  1 1 1     -10  -13   27 o    6.265000      0.3621000       5.987000 0.5123000       6.543000      0.5117000     -0.5557000      0.7241000
  1 1 1     -10  -13   28 o    4.173000      0.5471000       4.222000 0.7784000       4.123000      0.7691000      0.9890000E-01   1.094000
  1 1 1     -10  -13   29 o    4.863000      0.4802000       4.705000 0.6857000       5.021000      0.6725000     -0.3151000      0.9605000
  1 1 1     -10  -13   30 o    2.524000      0.6601000       2.559000 0.9195000       2.490000      0.9474000      0.6872000E-01   1.320000
  1 1 1     -10  -13   31 o    4.947000      0.4960000       4.608000 0.7125000       5.286000      0.6902000     -0.6779000      0.9920000
  1 1 1     -10  -13   32 o    3.031000      0.6567000       3.654000 0.9248000       2.407000      0.9327000       1.248000       1.313000
  1 1 1     -10  -13   33 o    3.316000      0.8011000       3.149000 1.192000       3.483000       1.071000     -0.3337000       1.602000
  1 1 1     -10  -13   34 o    4.193000      0.7780000       4.530000 1.079000       3.856000       1.121000      0.6736000       1.556000
  1 1 1     -10  -13   35 o    1.954000      0.5749000       2.542000 0.9363000       1.366000      0.6675000       1.176000       1.150000
  1 1 1     -10  -12    1 o    23.83000      0.3313000       23.74000 0.4674000       23.92000      0.4698000     -0.1723000      0.6627000
  1 1 1     -10  -12    2 o    13.59000      0.2125000       13.68000 0.3028000       13.50000      0.2983000      0.1772000      0.4250000
  1 1 1     -10  -12    3 o    27.82000      0.3837000       27.76000 0.5415000       27.89000      0.5438000     -0.1328000      0.7674000
  1 1 1     -10  -12    4 o    9.098000      0.1835000       9.140000 0.2599000       9.055000      0.2592000      0.8453000E-01  0.3670000
  1 1 1     -10  -12    5 f    15.75000      0.2401000       15.66000 0.3386000       15.84000      0.3405000     -0.1809000      0.4802000
  1 1 1     -10  -12    6 o    8.144000      0.2347000       8.428000 0.2677000       7.860000      0.3855000      0.5677000      0.4693000
  1 1 1     -10  -12    7 o    14.43000      0.2295000       14.06000 0.3185000       14.79000      0.3304000     -0.7304000      0.4589000
  1 1 1     -10  -12    8 o    3.594000      0.3109000       3.071000 0.4853000       4.117000      0.3886000      -1.047000      0.6217000
  1 1 1     -10  -12    9 o    19.81000      0.2909000       19.47000 0.4055000       20.15000      0.4173000     -0.6760000      0.5819000
  1 1 1     -10  -12   10 o    6.083000      0.2251000       6.246000 0.3097000       5.920000      0.3267000      0.3260000      0.4501000
  1 1 1     -10  -12   11 f    10.55000      0.2098000       10.34000 0.2935000       10.77000      0.2999000     -0.4223000      0.4196000
  1 1 1     -10  -12   12 o    9.572000      0.2108000       10.04000 0.2980000       9.108000      0.2983000      0.9283000      0.4216000
  1 1 1     -10  -12   13 o    1.585000      0.4513000       1.302000 0.5811000       1.868000      0.6907000     -0.5655000      0.9026000
  1 1 1     -10  -12   14 o    8.436000      0.2278000       8.506000 0.3168000       8.366000      0.3274000      0.1402000      0.4556000
  1 1 1     -10  -12   15 o    5.581000      0.4229000       6.106000 0.5983000       5.057000      0.5979000       1.049000      0.8458000
  1 1 1     -10  -12   16 o    8.035000      0.3427000       8.596000 0.4953000       7.474000      0.4738000       1.121000      0.6854000
  1 1 1     -10  -12   17 o    9.464000      0.2371000       9.349000 0.3337000       9.579000      0.3370000     -0.2305000      0.4743000
  1 1 1     -10  -12   18 o    1.700000      0.4840000       1.398000 0.6268000       2.001000      0.7378000     -0.6035000      0.9681000
  1 1 1     -10  -12   19 o    7.529000      0.3651000       7.199000 0.4902000       7.859000      0.5411000     -0.6606000      0.7302000
  1 1 1     -10  -12   21 f    4.966000      0.3692000       5.169000 0.5034000       4.763000      0.5402000      0.4058000      0.7384000
  1 1 1     -10  -12   22 o    3.304000      0.5229000       2.376000 0.8473000       4.231000      0.6130000      -1.854000       1.046000
  1 1 1     -10  -12   23 o    7.828000      0.2883000       7.943000 0.4106000       7.714000      0.4050000      0.2296000      0.5767000
  1 1 1     -10  -12   24 o    1.785000      0.5266000       2.002000 0.7865000       1.568000      0.7003000      0.4341000       1.053000
  1 1 1     -10  -12   25 o    5.645000      0.3588000       5.893000 0.4912000       5.397000      0.5231000      0.4957000      0.7176000
  1 1 1     -10  -12   26 o    10.84000      0.2714000       10.71000 0.3858000       10.96000      0.3818000     -0.2506000      0.5428000
  1 1 1     -10  -12   27 f    6.523000      0.3423000       6.547000 0.4765000       6.498000      0.4915000      0.4876000E-01  0.6846000
  1 1 1     -10  -12   28 o    2.327000      0.6219000       2.203000 0.8713000       2.451000      0.8875000     -0.2485000       1.244000
  1 1 1     -10  -12   29 f    2.496000      0.6497000       2.306000 0.8809000       2.686000      0.9553000     -0.3805000       1.299000
  1 1 1     -10  -12   30 o    5.678000      0.4393000       5.991000 0.5761000       5.364000      0.6633000      0.6276000      0.8786000
  1 1 1     -10  -12   31 o    3.305000      0.6277000       3.824000 0.8315000       2.787000      0.9407000       1.037000       1.255000
  1 1 1     -10  -12   32 o    2.722000      0.6864000       2.666000 0.9649000       2.778000      0.9763000     -0.1115000       1.373000
  1 1 1     -10  -12   33 f    2.083000      0.6226000       1.959000 0.8714000       2.206000      0.8894000     -0.2474000       1.245000
  1 1 1     -10  -12   34 o    3.753000      0.7836000       4.377000 1.158000       3.130000       1.056000       1.247000       1.567000
  1 1 1     -10  -12   35 o    2.210000      0.6263000       2.057000 0.8678000       2.362000      0.9033000     -0.3055000       1.253000
  1 1 1     -10  -11    1 o    5.981000      0.1772000       5.965000 0.2580000       5.998000      0.2429000     -0.3287000E-01  0.3544000
  1 1 1     -10  -11    2 o    12.40000      0.2013000       12.13000 0.2807000       12.68000      0.2885000     -0.5514000      0.4026000
  1 1 1     -10  -11    3 f    11.30000      0.1935000       11.59000 0.2768000       11.00000      0.2706000      0.5855000      0.3871000
  1 1 1     -10  -11    4 o    5.189000      0.2038000       5.141000 0.2863000       5.236000      0.2900000     -0.9526000E-01  0.4075000
  1 1 1     -10  -11    5 o    16.44000      0.2471000       16.74000 0.3539000       16.13000      0.3450000      0.6157000      0.4943000
  1 1 1     -10  -11    6 o    11.01000      0.2003000       11.06000 0.2830000       10.96000      0.2834000      0.9863000E-01  0.4005000
  1 1 1     -10  -11    7 o    17.10000      0.2570000       16.93000 0.3598000       17.27000      0.3671000     -0.3387000      0.5140000
  1 1 1     -10  -11    8 o    12.66000      0.2161000       12.46000 0.3024000       12.87000      0.3088000     -0.4067000      0.4322000
  1 1 1     -10  -11    9 o    13.31000      0.2228000       13.10000 0.3119000       13.52000      0.3182000     -0.4114000      0.4456000
  1 1 1     -10  -11   10 o    8.974000      0.2547000       8.783000 0.2838000       9.166000      0.4230000     -0.3829000      0.5094000
  1 1 1     -10  -11   11 o    3.394000      0.3661000       2.882000 0.5884000       3.907000      0.4357000      -1.025000      0.7321000
  1 1 1     -10  -11   12 o    15.32000      0.2470000       15.57000 0.3533000       15.07000      0.3451000      0.4918000      0.4939000
  1 1 1     -10  -11   13 o    2.175000      0.4939000       2.128000 0.6988000       2.222000      0.6981000     -0.9435000E-01  0.9878000
  1 1 1     -10  -11   14 o    5.680000      0.2642000       5.837000 0.3617000       5.524000      0.3853000      0.3135000      0.5285000
  1 1 1     -10  -11   15 o    9.760000      0.2271000       10.13000 0.3195000       9.390000      0.3229000      0.7412000      0.4543000
  1 1 1     -10  -11   16 o    12.78000      0.3414000       13.09000 0.4945000       12.48000      0.4708000      0.6053000      0.6828000
  1 1 1     -10  -11   17 o    7.187000      0.3678000       7.276000 0.5448000       7.097000      0.4944000      0.1793000      0.7356000
  1 1 1     -10  -11   18 o    1.640000      0.4785000       1.213000 0.5806000       2.067000      0.7608000     -0.8539000      0.9570000
  1 1 1     -10  -11   19 o    7.261000      0.2654000       7.384000 0.3733000       7.138000      0.3772000      0.2458000      0.5307000
  1 1 1     -10  -11   20 o    6.128000      0.5607000       6.128000 0.5607000                  ?              ?              ?              ?
  1 1 1     -10  -11   21 o    9.994000      0.2522000       9.863000 0.3574000       10.12000      0.3559000     -0.2608000      0.5044000
  1 1 1     -10  -11   22 o    3.425000      0.7036000                  ?       ?   3.425000      0.7036000                  ?              ?
  1 1 1     -10  -11   23 o    19.20000      0.3073000       19.87000 0.4454000       18.54000      0.4236000       1.336000      0.6147000
  1 1 1     -10  -11   24 o    6.480000      0.3103000       6.645000 0.4331000       6.315000      0.4444000      0.3292000      0.6206000
  1 1 1     -10  -11   25 o    5.908000      0.3415000       6.380000 0.4439000       5.437000      0.5190000      0.9426000      0.6830000
  1 1 1     -10  -11   26 o    11.94000      0.2691000       12.31000 0.3810000       11.57000      0.3802000      0.7440000      0.5382000
  1 1 1     -10  -11   27 o    2.628000      0.5959000       3.093000 0.8440000       2.162000      0.8415000      0.9314000       1.192000
  1 1 1     -10  -11   28 o    2.011000      0.5894000       2.050000 0.8365000       1.972000      0.8306000      0.7773000E-01   1.179000
  1 1 1     -10  -11   29 o    2.846000      0.6359000       3.029000 0.8885000       2.664000      0.9100000      0.3658000       1.272000
  1 1 1     -10  -11   30 o    3.377000      0.5811000       2.324000 0.8995000       4.430000      0.7360000      -2.105000       1.162000
  1 1 1     -10  -11   31 o    2.860000      0.6237000       2.164000 0.8831000       3.557000      0.8810000      -1.393000       1.247000
  1 1 1     -10  -11   32 o    5.422000      0.4687000       6.023000 0.5883000       4.821000      0.7298000       1.202000      0.9374000
  1 1 1     -10  -11   33 o    5.498000      0.4372000       5.539000 0.6209000       5.456000      0.6158000      0.8290000E-01  0.8745000
  1 1 1     -10  -11   34 o    5.040000      0.7394000       5.463000 1.052000       4.616000       1.039000      0.8468000       1.479000
  1 1 1     -10  -11   35 o    2.255000      0.6141000       1.726000 0.7908000       2.783000      0.9396000      -1.057000       1.228000
  1 1 1     -10  -10    1 o    8.508000      0.2367000       8.198000 0.3197000       8.817000      0.3492000     -0.6194000      0.4735000
  1 1 1     -10  -10    2 o    13.94000      0.2160000       14.13000 0.3086000       13.75000      0.3023000      0.3753000      0.4320000
  1 1 1     -10  -10    3 o    2.588000      0.3363000       2.893000 0.4029000       2.284000      0.5385000      0.6092000      0.6726000
  1 1 1     -10  -10    4 o    4.746000      0.2106000       5.232000 0.2799000       4.259000      0.3148000      0.9725000      0.4212000
  1 1 1     -10  -10    5 o    17.52000      0.2585000       17.27000 0.3606000       17.77000      0.3705000     -0.5003000      0.5170000
  1 1 1     -10  -10    6 o    14.37000      0.2253000       14.73000 0.3241000       14.01000      0.3130000      0.7263000      0.4506000
  1 1 1     -10  -10    7 o    11.96000      0.2065000       12.09000 0.2924000       11.83000      0.2917000      0.2567000      0.4130000
  1 1 1     -10  -10    8 o    14.34000      0.2288000       14.45000 0.3245000       14.23000      0.3226000      0.2200000      0.4576000
  1 1 1     -10  -10    9 o    4.509000      0.2466000       4.722000 0.3281000       4.296000      0.3683000      0.4262000      0.4932000
  1 1 1     -10  -10   10 o    11.13000      0.2092000       11.53000 0.2965000       10.73000      0.2953000      0.7979000      0.4184000
  1 1 1     -10  -10   11 o    1.335000      0.4137000       1.405000 0.5988000       1.266000      0.5710000      0.1394000      0.8274000
  1 1 1     -10  -10   12 o    5.577000      0.2443000       5.712000 0.3422000       5.443000      0.3487000      0.2689000      0.4886000
  1 1 1     -10  -10   13 o    12.95000      0.2269000       13.24000 0.3229000       12.66000      0.3188000      0.5799000      0.4538000
  1 1 1     -10  -10   14 f    4.229000      0.3264000       3.913000 0.4909000       4.546000      0.4302000     -0.6334000      0.6528000
  1 1 1     -10  -10   15 o    11.66000      0.2257000       11.76000 0.3176000       11.56000      0.3208000      0.1924000      0.4515000
  1 1 1     -10  -10   16 o    5.339000      0.2852000       5.465000 0.3957000       5.213000      0.4108000      0.2523000      0.5704000
  1 1 1     -10  -10   17 o    6.395000      0.3941000       7.061000 0.5424000       5.730000      0.5719000       1.331000      0.7882000
  1 1 1     -10  -10   18 o    5.428000      0.4512000       5.305000 0.6841000       5.551000      0.5885000     -0.2460000      0.9024000
  1 1 1     -10  -10   19 o    8.967000      0.2449000       8.942000 0.3452000       8.991000      0.3474000     -0.4869000E-01  0.4898000
  1 1 1     -10  -10   20 o    3.975000      0.7454000       3.975000 0.7454000                  ?              ?              ?              ?
  1 1 1     -10  -10   21 o    2.437000      0.6375000       2.476000 0.8698000       2.398000      0.9323000      0.7729000E-01   1.275000
  1 1 1     -10  -10   22 o    6.274000      0.4325000                  ?       ?   6.274000      0.4325000                  ?              ?
  1 1 1     -10  -10   23 f    10.52000      0.2532000       10.75000 0.3606000       10.29000      0.3557000      0.4600000      0.5065000
  1 1 1     -10  -10   24 o    16.65000      0.2852000       16.57000 0.4031000       16.73000      0.4034000     -0.1587000      0.5703000
  1 1 1     -10  -10   25 o    9.268000      0.2687000       9.282000 0.3777000       9.255000      0.3823000      0.2731000E-01  0.5374000
  1 1 1     -10  -10   26 o    10.16000      0.2648000       9.970000 0.3725000       10.35000      0.3764000     -0.3758000      0.5296000
  1 1 1     -10  -10   27 o    5.417000      0.3821000       6.070000 0.4940000       4.763000      0.5830000       1.307000      0.7642000
  1 1 1     -10  -10   28 o    3.359000      0.5936000       3.289000 0.8423000       3.429000      0.8365000     -0.1401000       1.187000
  1 1 1     -10  -10   29 f    1.607000      0.5218000       1.546000 0.7179000       1.668000      0.7575000     -0.1225000       1.044000
  1 1 1     -10  -10   30 f    2.630000      0.6447000       2.844000 0.9165000       2.417000      0.9070000      0.4276000       1.289000
  1 1 1     -10  -10   31 o    5.007000      0.4714000       4.461000 0.7093000       5.553000      0.6213000      -1.092000      0.9429000
  1 1 1     -10  -10   32 o    7.939000      0.3422000       7.926000 0.4919000       7.951000      0.4758000     -0.2454000E-01  0.6843000
  1 1 1     -10  -10   33 o    5.966000      0.4172000       5.891000 0.6066000       6.041000      0.5731000     -0.1493000      0.8345000
  1 1 1     -10  -10   34 o    4.463000      0.7809000       4.296000 1.228000       4.630000      0.9648000     -0.3340000       1.562000
  1 1 1     -10  -10   35 o    3.171000      0.7871000       3.376000 1.146000       2.966000       1.079000      0.4102000       1.574000
  1 1 1     -10  -10   36 o    2.564000      0.6442000       2.264000 0.8876000       2.864000      0.9340000     -0.5999000       1.288000
  1 1 1     -10   -9    1 o    10.29000      0.2478000       10.32000 0.3467000       10.26000      0.3543000      0.6829000E-01  0.4957000
  1 1 1     -10   -9    2 o    17.40000      0.3569000       17.38000 0.5024000       17.43000      0.5072000     -0.5158000E-01  0.7139000
  1 1 1     -10   -9    3 o    8.875000      0.2468000       9.171000 0.3441000       8.578000      0.3539000      0.5931000      0.4936000
  1 1 1     -10   -9    4 o    7.538000      0.2236000       7.737000 0.3652000       7.339000      0.2582000      0.3973000      0.4473000
  1 1 1     -10   -9    5 o    15.09000      0.2307000       15.19000 0.3280000       14.98000      0.3246000      0.2065000      0.4614000
  1 1 1     -10   -9    6 o    7.096000      0.1900000       7.084000 0.2678000       7.107000      0.2697000     -0.2253000E-01  0.3801000
  1 1 1     -10   -9    7 o    5.549000      0.2101000       5.746000 0.2898000       5.353000      0.3043000      0.3931000      0.4202000
  1 1 1     -10   -9    8 o    14.50000      0.2288000       14.53000 0.3239000       14.47000      0.3232000      0.6230000E-01  0.4575000
  1 1 1     -10   -9    9 o    11.28000      0.2053000       11.35000 0.2918000       11.22000      0.2890000      0.1214000      0.4106000
  1 1 1     -10   -9   10 o    13.57000      0.2244000       13.43000 0.3156000       13.71000      0.3191000     -0.2771000      0.4488000
  1 1 1     -10   -9   11 o    7.561000      0.2096000       7.570000 0.2972000       7.552000      0.2957000      0.1817000E-01  0.4192000
  1 1 1     -10   -9   12 o    8.301000      0.2082000       8.280000 0.2952000       8.323000      0.2937000     -0.4270000E-01  0.4164000
  1 1 1     -10   -9   13 o    14.27000      0.2383000       14.28000 0.3379000       14.26000      0.3360000      0.1765000E-01  0.4765000
  1 1 1     -10   -9   14 o    6.043000      0.2452000       5.802000 0.3508000       6.284000      0.3427000     -0.4819000      0.4904000
  1 1 1     -10   -9   15 o    3.491000      0.3806000       3.620000 0.4874000       3.363000      0.5846000      0.2568000      0.7611000
  1 1 1     -10   -9   16 o    13.40000      0.2393000       13.32000 0.3365000       13.48000      0.3404000     -0.1556000      0.4787000
  1 1 1     -10   -9   17 o    14.87000      0.3587000       14.60000 0.5116000       15.13000      0.5029000     -0.5385000      0.7173000
  1 1 1     -10   -9   18 o    1.613000      0.5211000       1.498000 0.7082000       1.728000      0.7647000     -0.2306000       1.042000
  1 1 1     -10   -9   19 o    4.288000      0.3584000       4.435000 0.4715000       4.142000      0.5398000      0.2930000      0.7168000
  1 1 1     -10   -9   20 o    2.769000      0.5285000       3.233000 0.6904000       2.304000      0.8005000      0.9291000       1.057000
  1 1 1     -10   -9   21 o    6.540000      0.3961000       6.124000 0.5417000       6.956000      0.5780000     -0.8317000      0.7922000
  1 1 1     -10   -9   22 o    2.265000      0.5423000       1.777000 0.7566000       2.754000      0.7771000     -0.9770000       1.085000
  1 1 1     -10   -9   23 o    6.068000      0.3136000       6.113000 0.4506000       6.024000      0.4363000      0.8894000E-01  0.6272000
  1 1 1     -10   -9   24 o    10.10000      0.2612000       10.20000 0.3767000       9.989000      0.3621000      0.2147000      0.5225000
  1 1 1     -10   -9   25 o    6.909000      0.2960000       6.829000 0.4170000       6.989000      0.4202000     -0.1595000      0.5920000
  1 1 1     -10   -9   26 o    7.621000      0.2994000       7.692000 0.4149000       7.550000      0.4319000      0.1416000      0.5989000
  1 1 1     -10   -9   27 o    5.758000      0.3538000       5.640000 0.5162000       5.875000      0.4840000     -0.2349000      0.7076000
  1 1 1     -10   -9   28 o    3.913000      0.5296000       4.048000 0.7427000       3.779000      0.7551000      0.2687000       1.059000
  1 1 1     -10   -9   29 o    2.110000      0.6004000       2.191000 0.8574000       2.030000      0.8406000      0.1608000       1.201000
  1 1 1     -10   -9   30 o    4.458000      0.5385000       5.183000 0.6336000       3.733000      0.8709000       1.450000       1.077000
  1 1 1     -10   -9   31 o    4.111000      0.5735000       4.142000 0.8098000       4.080000      0.8124000      0.6268000E-01   1.147000
  1 1 1     -10   -9   32 o    9.083000      0.3221000       8.917000 0.4641000       9.250000      0.4467000     -0.3337000      0.6442000
  1 1 1     -10   -9   33 o    8.015000      0.3504000       8.000000 0.4800000       8.029000      0.5106000     -0.2930000E-01  0.7008000
  1 1 1     -10   -9   34 o    3.399000      0.7480000       4.494000 1.135000       2.304000      0.9747000       2.189000       1.496000
  1 1 1     -10   -9   35 f    4.920000      0.7037000       5.684000 0.9941000       4.156000      0.9964000       1.528000       1.407000
  1 1 1     -10   -9   36 f    2.894000      0.6634000       2.954000 0.9254000       2.835000      0.9509000      0.1187000       1.327000
  1 1 1     -10   -8    1 o    14.97000      0.2231000       14.99000 0.3149000       14.95000      0.3162000      0.4087000E-01  0.4463000
  1 1 1     -10   -8    2 o    14.81000      0.2226000       15.23000 0.3217000       14.39000      0.3077000      0.8424000      0.4451000
  1 1 1     -10   -8    3 o    8.833000      0.2425000       8.554000 0.3346000       9.111000      0.3510000     -0.5575000      0.4850000
  1 1 1     -10   -8    4 o    17.33000      0.3576000       17.11000 0.4979000       17.56000      0.5134000     -0.4495000      0.7152000
  1 1 1     -10   -8    5 o    16.17000      0.2416000       15.84000 0.3368000       16.50000      0.3464000     -0.6646000      0.4832000
  1 1 1     -10   -8    6 o    17.97000      0.2638000       18.08000 0.3747000       17.87000      0.3714000      0.2090000      0.5276000
  1 1 1     -10   -8    7 o    11.63000      0.2010000       11.94000 0.2875000       11.33000      0.2809000      0.6038000      0.4019000
  1 1 1     -10   -8    8 o    7.439000      0.1912000       7.343000 0.2736000       7.535000      0.2672000     -0.1923000      0.3824000
  1 1 1     -10   -8    9 o    31.60000      0.4355000       31.77000 0.6198000       31.43000      0.6120000      0.3348000      0.8710000
  1 1 1     -10   -8   10 o    4.011000      0.2768000       4.200000 0.3742000       3.822000      0.4080000      0.3781000      0.5536000
  1 1 1     -10   -8   11 o    4.240000      0.2832000       4.649000 0.3665000       3.831000      0.4318000      0.8179000      0.5664000
  1 1 1     -10   -8   12 o    12.20000      0.2174000       12.22000 0.3077000       12.18000      0.3071000      0.4424000E-01  0.4347000
  1 1 1     -10   -8   13 o    13.25000      0.2285000       13.47000 0.3253000       13.03000      0.3209000      0.4412000      0.4569000
  1 1 1     -10   -8   14 o    12.68000      0.2824000       12.41000 0.4615000       12.95000      0.3257000     -0.5413000      0.5649000
  1 1 1     -10   -8   15 o    8.986000      0.2202000       8.826000 0.3079000       9.147000      0.3147000     -0.3203000      0.4403000
  1 1 1     -10   -8   16 o    10.96000      0.2254000       10.78000 0.3181000       11.14000      0.3196000     -0.3617000      0.4509000
  1 1 1     -10   -8   17 o    8.793000      0.2301000       8.701000 0.3265000       8.884000      0.3243000     -0.1834000      0.4602000
  1 1 1     -10   -8   18 o    7.195000      0.3490000       7.037000 0.5231000       7.353000      0.4622000     -0.3155000      0.6981000
  1 1 1     -10   -8   19 o    2.456000      0.4718000       1.499000 0.6698000       3.413000      0.6646000      -1.914000      0.9436000
  1 1 1     -10   -8   20 o    5.896000      0.2890000       5.961000 0.3988000       5.831000      0.4182000      0.1303000      0.5779000
  1 1 1     -10   -8   21 o    3.007000      0.6308000       3.490000 0.8275000       2.525000      0.9523000      0.9647000       1.262000
  1 1 1     -10   -8   22 o    5.672000      0.4350000       5.518000 0.5990000       5.825000      0.6309000     -0.3069000      0.8700000
  1 1 1     -10   -8   23 o    9.262000      0.2602000       9.651000 0.3662000       8.873000      0.3699000      0.7787000      0.5205000
  1 1 1     -10   -8   24 o    2.950000      0.5586000       2.963000 0.7931000       2.937000      0.7868000      0.2594000E-01   1.117000
  1 1 1     -10   -8   25 o    11.10000      0.2593000       10.51000 0.3681000       11.70000      0.3653000      -1.192000      0.5186000
  1 1 1     -10   -8   26 o    11.51000      0.2633000       11.18000 0.3702000       11.83000      0.3746000     -0.6508000      0.5267000
  1 1 1     -10   -8   27 o    3.740000      0.5166000       3.924000 0.7033000       3.557000      0.7569000      0.3663000       1.033000
  1 1 1     -10   -8   28 o    7.224000      0.3275000       6.844000 0.4790000       7.603000      0.4468000     -0.7598000      0.6550000
  1 1 1     -10   -8   29 o    1.813000      0.5469000       2.160000 0.8462000       1.466000      0.6931000      0.6941000       1.094000
  1 1 1     -10   -8   30 o    5.096000      0.4553000       5.530000 0.5802000       4.661000      0.7019000      0.8693000      0.9106000
  1 1 1     -10   -8   31 o    2.136000      0.6165000       1.717000 0.7847000       2.555000      0.9512000     -0.8373000       1.233000
  1 1 1     -10   -8   32 o    7.014000      0.3797000       7.398000 0.5172000       6.629000      0.5561000      0.7687000      0.7594000
  1 1 1     -10   -8   33 o    6.917000      0.3844000       6.626000 0.5530000       7.208000      0.5340000     -0.5819000      0.7687000
  1 1 1     -10   -8   34 o    2.710000      0.6068000       2.129000 0.8717000       3.291000      0.8442000      -1.162000       1.214000
  1 1 1     -10   -8   35 o    4.941000      0.7034000       5.026000 1.038000       4.855000      0.9494000      0.1710000       1.407000
  1 1 1     -10   -8   36 o    4.111000      0.5410000       3.583000 0.8476000       4.638000      0.6726000      -1.055000       1.082000
  1 1 1     -10   -7    1 o    8.042000      0.2288000       8.076000 0.3315000       8.009000      0.3155000      0.6712000E-01  0.4577000
  1 1 1     -10   -7    2 o    18.51000      0.2649000       18.70000 0.3774000       18.33000      0.3718000      0.3698000      0.5298000
  1 1 1     -10   -7    3 o    13.86000      0.2107000       13.80000 0.2974000       13.92000      0.2984000     -0.1213000      0.4213000
  1 1 1     -10   -7    4 o    7.035000      0.2336000       7.019000 0.3330000       7.051000      0.3278000     -0.3223000E-01  0.4673000
  1 1 1     -10   -7    5 o    14.51000      0.2227000       14.49000 0.3143000       14.53000      0.3157000     -0.4764000E-01  0.4454000
  1 1 1     -10   -7    6 o    20.23000      0.2900000       19.70000 0.4005000       20.77000      0.4195000      -1.070000      0.5800000
  1 1 1     -10   -7    7 o    16.86000      0.3084000       17.05000 0.3598000       16.68000      0.5009000      0.3717000      0.6167000
  1 1 1     -10   -7    8 o    4.317000      0.2387000       4.453000 0.3236000       4.181000      0.3511000      0.2721000      0.4775000
  1 1 1     -10   -7    9 o    30.99000      0.4278000       30.88000 0.6021000       31.11000      0.6079000     -0.2354000      0.8556000
  1 1 1     -10   -7   10 o    6.245000      0.2094000       6.532000 0.2890000       5.959000      0.3030000      0.5738000      0.4187000
  1 1 1     -10   -7   11 o    3.355000      0.3373000       2.758000 0.5479000       3.952000      0.3935000      -1.194000      0.6746000
  1 1 1     -10   -7   12 o    5.500000      0.2261000       5.402000 0.3215000       5.598000      0.3178000     -0.1967000      0.4521000
  1 1 1     -10   -7   13 o    12.02000      0.2184000       12.48000 0.3117000       11.56000      0.3060000      0.9281000      0.4368000
  1 1 1     -10   -7   14 o    16.67000      0.2606000       16.97000 0.3720000       16.37000      0.3650000      0.6031000      0.5211000
  1 1 1     -10   -7   15 o    10.02000      0.2149000       9.799000 0.3018000       10.25000      0.3060000     -0.4507000      0.4298000
  1 1 1     -10   -7   16 o    7.924000      0.2294000       7.925000 0.3250000       7.923000      0.3240000      0.1107000E-02  0.4589000
  1 1 1     -10   -7   17 o    6.281000      0.2524000       6.710000 0.3484000       5.851000      0.3654000      0.8587000      0.5049000
  1 1 1     -10   -7   18 o    8.119000      0.3275000       8.154000 0.4758000       8.084000      0.4502000      0.6998000E-01  0.6551000
  1 1 1     -10   -7   19 o    2.174000      0.6140000       2.260000 0.8910000       2.089000      0.8451000      0.1703000       1.228000
  1 1 1     -10   -7   20 o    7.035000      0.2632000       7.335000 0.3658000       6.735000      0.3786000      0.5999000      0.5264000
  1 1 1     -10   -7   21 o    7.135000      0.5012000       7.135000 0.5012000                  ?              ?              ?              ?
  1 1 1     -10   -7   22 o    5.770000      0.4345000       5.265000 0.6289000       6.274000      0.5997000      -1.008000      0.8690000
  1 1 1     -10   -7   23 o    10.69000      0.2490000       10.12000 0.3464000       11.26000      0.3576000      -1.135000      0.4979000
  1 1 1     -10   -7   24 o    2.689000      0.5754000       2.830000 0.8206000       2.548000      0.8069000      0.2816000       1.151000
  1 1 1     -10   -7   25 o    2.171000      0.5657000       2.461000 0.8308000       1.880000      0.7681000      0.5804000       1.131000
  1 1 1     -10   -7   26 o    13.93000      0.2689000       14.22000 0.3824000       13.64000      0.3782000      0.5800000      0.5378000
  1 1 1     -10   -7   27 o    6.505000      0.3287000       6.591000 0.4630000       6.418000      0.4668000      0.1726000      0.6574000
  1 1 1     -10   -7   28 o    7.706000      0.3076000       7.606000 0.4396000       7.806000      0.4304000     -0.2000000      0.6152000
  1 1 1     -10   -7   29 o    2.666000      0.6177000       2.427000 0.8784000       2.905000      0.8688000     -0.4773000       1.235000
  1 1 1     -10   -7   30 f    3.002000      0.6333000       2.621000 0.9070000       3.384000      0.8842000     -0.7629000       1.267000
  1 1 1     -10   -7   31 o    2.019000      0.6119000       2.123000 0.8852000       1.915000      0.8450000      0.2074000       1.224000
  1 1 1     -10   -7   32 o    7.546000      0.3652000       7.977000 0.4979000       7.115000      0.5345000      0.8622000      0.7305000
  1 1 1     -10   -7   33 o    6.936000      0.3708000       6.584000 0.5329000       7.288000      0.5157000     -0.7047000      0.7415000
  1 1 1     -10   -7   34 o    2.206000      0.5979000       2.746000 0.9195000       1.665000      0.7647000       1.081000       1.196000
  1 1 1     -10   -7   35 o    2.519000      0.7101000       2.164000 0.9781000       2.875000       1.030000     -0.7112000       1.420000
  1 1 1     -10   -7   36 o    4.497000      0.5082000       3.994000 0.8098000       5.000000      0.6140000      -1.007000       1.016000
  1 1 1     -10   -6    1 o    6.504000      0.2275000       6.523000 0.3274000       6.485000      0.3159000      0.3864000E-01  0.4550000
  1 1 1     -10   -6    2 o    11.34000      0.1847000       11.59000 0.2643000       11.10000      0.2579000      0.4879000      0.3693000
  1 1 1     -10   -6    3 o    13.06000      0.2033000       12.94000 0.2848000       13.19000      0.2903000     -0.2572000      0.4067000
  1 1 1     -10   -6    4 o    4.089000      0.2909000       3.627000 0.4332000       4.551000      0.3882000     -0.9241000      0.5817000
  1 1 1     -10   -6    5 o    8.233000      0.2416000       8.332000 0.3388000       8.135000      0.3446000      0.1964000      0.4833000
  1 1 1     -10   -6    6 o    31.27000      0.4283000       30.83000 0.5974000       31.72000      0.6140000     -0.8953000      0.8567000
  1 1 1     -10   -6    7 o    24.78000      0.3463000       24.89000 0.4920000       24.67000      0.4876000      0.2273000      0.6927000
  1 1 1     -10   -6    8 o    9.807000      0.1900000       10.04000 0.2684000       9.577000      0.2691000      0.4597000      0.3800000
  1 1 1     -10   -6    9 o    27.46000      0.3820000       27.03000 0.5327000       27.88000      0.5476000     -0.8590000      0.7640000
  1 1 1     -10   -6   10 o    14.78000      0.2344000       15.28000 0.3387000       14.28000      0.3240000       1.004000      0.4687000
  1 1 1     -10   -6   11 o    3.545000      0.3120000       3.595000 0.4355000       3.496000      0.4469000      0.9900000E-01  0.6240000
  1 1 1     -10   -6   12 o    10.20000      0.2057000       10.62000 0.2929000       9.773000      0.2890000      0.8437000      0.4115000
  1 1 1     -10   -6   13 o    13.57000      0.2302000       13.88000 0.3299000       13.26000      0.3211000      0.6202000      0.4604000
  1 1 1     -10   -6   14 o    10.63000      0.2127000       10.68000 0.3014000       10.58000      0.3002000      0.9948000E-01  0.4254000
  1 1 1     -10   -6   15 o    5.675000      0.2551000       5.198000 0.3801000       6.152000      0.3402000     -0.9540000      0.5101000
  1 1 1     -10   -6   16 o    4.721000      0.2945000       4.992000 0.3984000       4.449000      0.4338000      0.5430000      0.5890000
  1 1 1     -10   -6   17 o    12.20000      0.2343000       12.42000 0.3342000       11.97000      0.3283000      0.4461000      0.4685000
  1 1 1     -10   -6   18 o    6.902000      0.3559000       7.241000 0.5073000       6.562000      0.4993000      0.6790000      0.7118000
  1 1 1     -10   -6   19 o    2.887000      0.6088000       2.572000 0.8966000       3.202000      0.8236000     -0.6302000       1.218000
  1 1 1     -10   -6   20 o    6.360000      0.2808000       6.729000 0.3916000       5.990000      0.4027000      0.7385000      0.5617000
  1 1 1     -10   -6   21 o    3.247000      0.8681000       3.247000 0.8681000                  ?              ?              ?              ?
  1 1 1     -10   -6   22 o    13.52000      0.3627000       13.16000 0.5024000       13.88000      0.5232000     -0.7202000      0.7253000
  1 1 1     -10   -6   23 f    5.795000      0.4469000                  ?       ?   5.795000      0.4469000                  ?              ?
  1 1 1     -10   -6   24 o    5.697000      0.3404000       6.075000 0.4663000       5.320000      0.4961000      0.7552000      0.6809000
  1 1 1     -10   -6   25 o    3.226000      0.5407000       3.719000 0.7147000       2.733000      0.8116000      0.9858000       1.081000
  1 1 1     -10   -6   26 o    15.54000      0.2782000       15.53000 0.3928000       15.55000      0.3941000     -0.2577000E-01  0.5564000
  1 1 1     -10   -6   27 o    4.904000      0.4051000       4.910000 0.5593000       4.898000      0.5862000      0.1193000E-01  0.8103000
  1 1 1     -10   -6   28 o    2.639000      0.6146000       2.397000 0.8662000       2.881000      0.8721000     -0.4835000       1.229000
  1 1 1     -10   -6   29 o    4.212000      0.4850000       4.194000 0.6954000       4.230000      0.6761000     -0.3576000E-01  0.9699000
  1 1 1     -10   -6   30 o    5.836000      0.3835000       5.997000 0.5328000       5.676000      0.5516000      0.3216000      0.7669000
  1 1 1     -10   -6   31 o    2.698000      0.6217000       3.332000 0.8941000       2.064000      0.8641000       1.268000       1.243000
  1 1 1     -10   -6   32 o    4.234000      0.5542000       4.283000 0.7613000       4.185000      0.8055000      0.9790000E-01   1.108000
  1 1 1     -10   -6   33 o    3.543000      0.6323000       3.360000 0.9072000       3.727000      0.8809000     -0.3671000       1.265000
  1 1 1     -10   -6   34 o    3.927000      0.5623000       4.062000 0.7730000       3.792000      0.8168000      0.2698000       1.125000
  1 1 1     -10   -6   35 o    2.668000      0.7462000       2.629000 1.085000       2.706000       1.025000     -0.7729000E-01   1.492000
  1 1 1     -10   -6   36 o    3.568000      0.6106000       3.315000 0.9040000       3.821000      0.8211000     -0.5064000       1.221000
  1 1 1     -10   -5    1 o    9.683000      0.2377000       9.530000 0.3353000       9.836000      0.3369000     -0.3067000      0.4754000
  1 1 1     -10   -5    2 o    12.63000      0.2781000       12.29000 0.3886000       12.97000      0.3979000     -0.6806000      0.5562000
  1 1 1     -10   -5    3 o    14.30000      0.2163000       14.47000 0.3088000       14.14000      0.3030000      0.3307000      0.4326000
  1 1 1     -10   -5    4 o    10.47000      0.2555000       10.66000 0.3627000       10.28000      0.3599000      0.3819000      0.5109000
  1 1 1     -10   -5    5 o    14.31000      0.3086000       14.49000 0.4388000       14.13000      0.4340000      0.3598000      0.6172000
  1 1 1     -10   -5    6 o    19.31000      0.2783000       19.15000 0.3910000       19.47000      0.3962000     -0.3173000      0.5566000
  1 1 1     -10   -5    7 f    19.30000      0.2796000       19.31000 0.3948000       19.30000      0.3960000      0.8209000E-02  0.5592000
  1 1 1     -10   -5    8 o    7.818000      0.1846000       7.982000 0.2620000       7.654000      0.2602000      0.3281000      0.3692000
  1 1 1     -10   -5    9 o    16.92000      0.2539000       16.35000 0.3507000       17.49000      0.3673000      -1.138000      0.5078000
  1 1 1     -10   -5   10 o    13.07000      0.2177000       12.82000 0.3053000       13.32000      0.3105000     -0.5023000      0.4355000
  1 1 1     -10   -5   11 o    9.954000      0.1980000       9.547000 0.2761000       10.36000      0.2837000     -0.8144000      0.3959000
  1 1 1     -10   -5   12 o    12.15000      0.2154000       12.60000 0.3090000       11.71000      0.3000000      0.8863000      0.4307000
  1 1 1     -10   -5   13 o    9.770000      0.2054000       10.07000 0.2928000       9.469000      0.2883000      0.6020000      0.4109000
  1 1 1     -10   -5   14 o    10.48000      0.2126000       10.29000 0.2993000       10.66000      0.3021000     -0.3665000      0.4252000
  1 1 1     -10   -5   15 o    13.31000      0.2310000       13.42000 0.3279000       13.20000      0.3254000      0.2225000      0.4619000
  1 1 1     -10   -5   16 o    1.938000      0.4721000       2.223000 0.6653000       1.653000      0.6700000      0.5690000      0.9442000
  1 1 1     -10   -5   17 o    13.11000      0.2376000       13.51000 0.3399000       12.71000      0.3320000      0.7957000      0.4752000
  1 1 1     -10   -5   18 o    5.743000      0.3882000       5.819000 0.5459000       5.667000      0.5521000      0.1521000      0.7764000
  1 1 1     -10   -5   19 o    4.516000      0.5007000       4.241000 0.7626000       4.792000      0.6491000     -0.5504000       1.001000
  1 1 1     -10   -5   20 o    2.834000      0.5010000       2.644000 0.7466000       3.024000      0.6682000     -0.3796000       1.002000
  1 1 1     -10   -5   21 o    9.557000      0.3403000       9.568000 0.4852000       9.545000      0.4772000      0.2314000E-01  0.6806000
  1 1 1     -10   -5   22 o    13.81000      0.3672000       13.97000 0.5120000       13.65000      0.5266000      0.3192000      0.7345000
  1 1 1     -10   -5   23 o    6.527000      0.4208000                  ?       ?   6.527000      0.4208000                  ?              ?
  1 1 1     -10   -5   24 o    2.244000      0.5634000       2.449000 0.8099000       2.040000      0.7834000      0.4087000       1.127000
  1 1 1     -10   -5   25 o    8.381000      0.2648000       8.560000 0.3765000       8.202000      0.3723000      0.3576000      0.5295000
  1 1 1     -10   -5   26 o    2.177000      0.5703000       2.256000 0.8163000       2.097000      0.7966000      0.1587000       1.141000
  1 1 1     -10   -5   27 f    14.23000      0.2710000       14.20000 0.3819000       14.25000      0.3846000     -0.5054000E-01  0.5420000
  1 1 1     -10   -5   28 o    3.196000      0.5840000       3.267000 0.8221000       3.125000      0.8297000      0.1426000       1.168000
  1 1 1     -10   -5   29 o    6.769000      0.3298000       6.530000 0.4833000       7.009000      0.4488000     -0.4787000      0.6595000
  1 1 1     -10   -5   30 o    4.578000      0.4688000       4.527000 0.6843000       4.628000      0.6409000     -0.1016000      0.9375000
  1 1 1     -10   -5   31 o    2.915000      0.6353000       2.535000 0.9181000       3.294000      0.8783000     -0.7594000       1.271000
  1 1 1     -10   -5   32 o    2.022000      0.6075000       1.985000 0.8511000       2.060000      0.8672000     -0.7494000E-01   1.215000
  1 1 1     -10   -5   33 o    5.613000      0.4268000       5.457000 0.6263000       5.769000      0.5800000     -0.3126000      0.8536000
  1 1 1     -10   -5   34 o    5.167000      0.6390000       5.379000 0.9393000       4.956000      0.8666000      0.4232000       1.278000
  1 1 1     -10   -5   35 f    2.545000      0.7277000       2.831000 1.099000       2.258000      0.9547000      0.5733000       1.455000
  1 1 1     -10   -5   36 f    1.829000      0.5719000       2.098000 0.8802000       1.559000      0.7305000      0.5389000       1.144000
  1 1 1     -10   -4    1 o    17.81000      0.3588000       17.77000 0.5065000       17.86000      0.5082000     -0.8978000E-01  0.7175000
  1 1 1     -10   -4    3 o    8.327000      0.1635000       8.614000 0.2317000       8.040000      0.2306000      0.5744000      0.3269000
  1 1 1     -10   -4    4 o    19.15000      0.2725000       19.05000 0.3832000       19.25000      0.3876000     -0.1982000      0.5451000
  1 1 1     -10   -4    5 o    10.44000      0.2579000       9.962000 0.3533000       10.92000      0.3758000     -0.9543000      0.5158000
  1 1 1     -10   -4    6 o    15.86000      0.2371000       15.46000 0.3281000       16.26000      0.3423000     -0.7963000      0.4741000
  1 1 1     -10   -4    7 o    41.01000      0.5556000       39.98000 0.7665000       42.03000      0.8045000      -2.047000       1.111000
  1 1 1     -10   -4    8 o    18.66000      0.2724000       18.70000 0.3859000       18.63000      0.3845000      0.6715000E-01  0.5447000
  1 1 1     -10   -4    9 o    7.261000      0.2325000       7.694000 0.2595000       6.829000      0.3859000      0.8649000      0.4650000
  1 1 1     -10   -4   10 o    7.071000      0.1935000       7.065000 0.2741000       7.076000      0.2732000     -0.1096000E-01  0.3870000
  1 1 1     -10   -4   11 o    9.391000      0.1937000       9.413000 0.2743000       9.369000      0.2735000      0.4402000E-01  0.3874000
  1 1 1     -10   -4   12 o    12.82000      0.2206000       13.25000 0.3152000       12.40000      0.3087000      0.8494000      0.4412000
  1 1 1     -10   -4   13 o    10.75000      0.2093000       10.63000 0.2954000       10.87000      0.2966000     -0.2461000      0.4186000
  1 1 1     -10   -4   14 o    9.648000      0.2093000       9.635000 0.2965000       9.661000      0.2955000     -0.2547000E-01  0.4186000
  1 1 1     -10   -4   15 o    6.527000      0.2264000       6.719000 0.3130000       6.335000      0.3273000      0.3842000      0.4529000
  1 1 1     -10   -4   16 o    2.121000      0.4729000       2.447000 0.6571000       1.796000      0.6801000      0.6510000      0.9457000
  1 1 1     -10   -4   17 o    13.38000      0.2962000       13.72000 0.4882000       13.03000      0.3356000      0.6935000      0.5924000
  1 1 1     -10   -4   18 o    3.557000      0.5512000       3.594000 0.8301000       3.520000      0.7253000      0.7423000E-01   1.102000
  1 1 1     -10   -4   19 o    6.253000      0.3752000       6.116000 0.5562000       6.389000      0.5039000     -0.2723000      0.7505000
  1 1 1     -10   -4   20 o    7.585000      0.2538000       6.956000 0.3698000       8.214000      0.3477000      -1.257000      0.5077000
  1 1 1     -10   -4   21 o    9.978000      0.3411000       10.22000 0.4721000       9.739000      0.4924000      0.4770000      0.6822000
  1 1 1     -10   -4   22 o    12.80000      0.3545000       12.00000 0.4894000       13.59000      0.5130000      -1.593000      0.7090000
  1 1 1     -10   -4   23 o    6.677000      0.2911000       6.916000 0.4144000       6.438000      0.4091000      0.4780000      0.5823000
  1 1 1     -10   -4   24 o    2.063000      0.5521000       1.694000 0.7442000       2.432000      0.8157000     -0.7389000       1.104000
  1 1 1     -10   -4   25 o    10.08000      0.2595000       9.800000 0.3727000       10.36000      0.3612000     -0.5587000      0.5190000
  1 1 1     -10   -4   26 f    5.493000      0.3407000       5.130000 0.5080000       5.856000      0.4541000     -0.7261000      0.6813000
  1 1 1     -10   -4   27 o    14.91000      0.2804000       14.68000 0.3925000       15.14000      0.4004000     -0.4525000      0.5607000
  1 1 1     -10   -4   28 o    2.383000      0.5623000       1.837000 0.7805000       2.929000      0.8096000      -1.092000       1.125000
  1 1 1     -10   -4   29 o    2.421000      0.5946000       2.840000 0.8660000       2.003000      0.8150000      0.8368000       1.189000
  1 1 1     -10   -4   30 o    7.849000      0.3148000       8.013000 0.4536000       7.685000      0.4365000      0.3279000      0.6295000
  1 1 1     -10   -4   31 o    7.969000      0.3285000       7.627000 0.4763000       8.311000      0.4525000     -0.6839000      0.6570000
  1 1 1     -10   -4   32 o    2.330000      0.6225000       2.862000 0.9492000       1.798000      0.8055000       1.064000       1.245000
  1 1 1     -10   -4   33 o    8.412000      0.3189000       8.512000 0.4594000       8.312000      0.4425000      0.2000000      0.6379000
  1 1 1     -10   -4   34 o    4.594000      0.6883000       4.546000 1.047000       4.643000      0.8944000     -0.9677000E-01   1.377000
  1 1 1     -10   -4   35 o    2.551000      0.7194000       2.960000 1.108000       2.141000      0.9175000      0.8192000       1.439000
  1 1 1     -10   -4   36 o    2.252000      0.6140000       2.547000 0.9100000       1.957000      0.8244000      0.5903000       1.228000
  1 1 1     -10   -3    1 o    19.18000      0.3821000       19.49000 0.5489000       18.86000      0.5315000      0.6331000      0.7641000
  1 1 1     -10   -3    2 o    12.23000      0.2708000       12.42000 0.3867000       12.04000      0.3793000      0.3760000      0.5416000
  1 1 1     -10   -3    3 o    6.697000      0.1599000       6.539000 0.2264000       6.855000      0.2260000     -0.3161000      0.3199000
  1 1 1     -10   -3    4 o    13.47000      0.2944000       13.45000 0.4153000       13.48000      0.4174000     -0.2964000E-01  0.5888000
  1 1 1     -10   -3    5 o    23.99000      0.4728000       23.40000 0.6527000       24.57000      0.6843000      -1.166000      0.9456000
  1 1 1     -10   -3    6 o    20.95000      0.2974000       20.70000 0.4160000       21.20000      0.4251000     -0.5000000      0.5948000
  1 1 1     -10   -3    7 o    23.17000      0.4038000       23.93000 0.6724000       22.41000      0.4474000       1.521000      0.8076000
  1 1 1     -10   -3    8 o    10.41000      0.1907000       10.64000 0.2713000       10.18000      0.2681000      0.4525000      0.3814000
  1 1 1     -10   -3    9 o    2.119000      0.3960000       2.297000 0.5444000       1.941000      0.5752000      0.3559000      0.7920000
  1 1 1     -10   -3   10 o    8.357000      0.1896000       8.377000 0.2695000       8.337000      0.2668000      0.3988000E-01  0.3792000
  1 1 1     -10   -3   11 o    3.850000      0.2751000       3.737000 0.3952000       3.963000      0.3828000     -0.2258000      0.5502000
  1 1 1     -10   -3   12 o    15.99000      0.2493000       16.26000 0.3561000       15.71000      0.3490000      0.5481000      0.4987000
  1 1 1     -10   -3   13 o    6.657000      0.2121000       6.962000 0.2910000       6.351000      0.3086000      0.6109000      0.4242000
  1 1 1     -10   -3   14 o    6.362000      0.2234000       6.487000 0.3124000       6.238000      0.3194000      0.2487000      0.4468000
  1 1 1     -10   -3   15 o    2.713000      0.4379000       2.820000 0.6012000       2.606000      0.6368000      0.2143000      0.8757000
  1 1 1     -10   -3   16 o    7.043000      0.2296000       7.561000 0.3108000       6.526000      0.3379000       1.035000      0.4591000
  1 1 1     -10   -3   17 o    11.81000      0.2286000       12.08000 0.3267000       11.53000      0.3200000      0.5495000      0.4573000
  1 1 1     -10   -3   18 o    5.167000      0.4049000       5.249000 0.5806000       5.084000      0.5645000      0.1647000      0.8098000
  1 1 1     -10   -3   19 o    2.162000      0.5139000       2.380000 0.7306000       1.945000      0.7229000      0.4353000       1.028000
  1 1 1     -10   -3   20 o    15.42000      0.2662000       15.49000 0.3773000       15.35000      0.3755000      0.1400000      0.5323000
  1 1 1     -10   -3   21 o    5.309000      0.4573000       6.273000 0.5502000       4.345000      0.7307000       1.927000      0.9147000
  1 1 1     -10   -3   22 o    8.618000      0.2591000       8.765000 0.3628000       8.471000      0.3701000      0.2937000      0.5183000
  1 1 1     -10   -3   23 f    1.702000      0.5026000       1.554000 0.6931000       1.851000      0.7279000     -0.2975000       1.005000
  1 1 1     -10   -3   24 o    2.472000      0.5467000       2.982000 0.7780000       1.962000      0.7682000       1.020000       1.093000
  1 1 1     -10   -3   25 o    2.990000      0.5192000       2.576000 0.7901000       3.405000      0.6738000     -0.8288000       1.038000
  1 1 1     -10   -3   26 o    4.851000      0.3812000       5.086000 0.5152000       4.616000      0.5621000      0.4705000      0.7625000
  1 1 1     -10   -3   27 o    8.282000      0.2755000       8.474000 0.3927000       8.091000      0.3865000      0.3824000      0.5510000
  1 1 1     -10   -3   28 o    5.816000      0.3504000       6.579000 0.4572000       5.052000      0.5312000       1.527000      0.7009000
  1 1 1     -10   -3   29 o    6.410000      0.3403000       6.647000 0.4809000       6.173000      0.4816000      0.4746000      0.6806000
  1 1 1     -10   -3   30 o    6.929000      0.3416000       6.957000 0.4832000       6.901000      0.4830000      0.5543000E-01  0.6833000
  1 1 1     -10   -3   31 o    10.33000      0.2916000       10.20000 0.4140000       10.46000      0.4108000     -0.2555000      0.5832000
  1 1 1     -10   -3   32 o    6.193000      0.3816000       6.420000 0.5156000       5.966000      0.5628000      0.4535000      0.7633000
  1 1 1     -10   -3   33 o    6.774000      0.3626000       6.971000 0.5087000       6.577000      0.5167000      0.3947000      0.7251000
  1 1 1     -10   -3   34 o    4.815000      0.6819000       4.908000 1.012000       4.722000      0.9143000      0.1860000       1.364000
  1 1 1     -10   -3   35 o    2.312000      0.6075000       2.808000 0.9254000       1.816000      0.7873000      0.9916000       1.215000
  1 1 1     -10   -3   36 o    2.474000      0.6180000       2.995000 0.9273000       1.952000      0.8170000       1.044000       1.236000
  1 1 1     -10   -2    1 o    20.70000      0.4089000       21.03000 0.5875000       20.36000      0.5689000      0.6784000      0.8178000
  1 1 1     -10   -2    2 f    17.34000      0.3524000       17.20000 0.4955000       17.47000      0.5013000     -0.2680000      0.7049000
  1 1 1     -10   -2    3 o    12.12000      0.1928000       12.01000 0.2718000       12.23000      0.2736000     -0.2187000      0.3857000
  1 1 1     -10   -2    4 o    22.82000      0.4510000       22.98000 0.6411000       22.65000      0.6345000      0.3307000      0.9020000
  1 1 1     -10   -2    5 o    10.56000      0.2589000       9.957000 0.3562000       11.16000      0.3759000      -1.204000      0.5178000
  1 1 1     -10   -2    6 o    7.589000      0.1722000       7.349000 0.2432000       7.830000      0.2440000     -0.4807000      0.3445000
  1 1 1     -10   -2    7 o    8.630000      0.1780000       8.894000 0.2516000       8.367000      0.2518000      0.5271000      0.3559000
  1 1 1     -10   -2    8 o    26.62000      0.3700000       26.75000 0.5255000       26.50000      0.5209000      0.2520000      0.7399000
  1 1 1     -10   -2    9 o    11.41000      0.2001000       11.53000 0.2840000       11.28000      0.2820000      0.2465000      0.4002000
  1 1 1     -10   -2   10 o    4.013000      0.2494000       4.060000 0.3450000       3.966000      0.3601000      0.9377000E-01  0.4987000
  1 1 1     -10   -2   11 o    7.774000      0.1939000       7.774000 0.2747000       7.774000      0.2736000      0.5007000E-04  0.3877000
  1 1 1     -10   -2   12 o    15.77000      0.2471000       15.69000 0.3480000       15.85000      0.3508000     -0.1568000      0.4941000
  1 1 1     -10   -2   13 o    15.92000      0.3084000       15.93000 0.3530000       15.90000      0.5059000      0.2605000E-01  0.6168000
  1 1 1     -10   -2   14 f    3.982000      0.2971000       3.920000 0.4229000       4.044000      0.4173000     -0.1239000      0.5941000
  1 1 1     -10   -2   15 o    1.650000      0.4473000       1.919000 0.6654000       1.382000      0.5980000      0.5366000      0.8946000
  1 1 1     -10   -2   16 o    5.499000      0.2575000       5.398000 0.3693000       5.600000      0.3590000     -0.2022000      0.5150000
  1 1 1     -10   -2   17 o    14.42000      0.2484000       14.38000 0.3506000       14.46000      0.3520000     -0.8229000E-01  0.4968000
  1 1 1     -10   -2   18 o    2.878000      0.5566000       3.176000 0.7800000       2.581000      0.7943000      0.5954000       1.113000
  1 1 1     -10   -2   19 o    1.819000      0.4988000       1.913000 0.7171000       1.725000      0.6935000      0.1885000      0.9975000
  1 1 1     -10   -2   20 o    11.73000      0.2898000       11.18000 0.3334000       12.27000      0.4742000      -1.096000      0.5797000
  1 1 1     -10   -2   21 o    4.448000      0.4913000       4.558000 0.6750000       4.339000      0.7141000      0.2198000      0.9826000
  1 1 1     -10   -2   22 o    6.454000      0.4130000       6.454000 0.4130000                  ?              ?              ?              ?
  1 1 1     -10   -2   23 o    3.247000      0.4802000       2.886000 0.7530000       3.608000      0.5963000     -0.7219000      0.9605000
  1 1 1     -10   -2   24 o    7.518000      0.3914000                  ?       ?   7.518000      0.3914000                  ?              ?
  1 1 1     -10   -2   25 o    10.06000      0.2555000       9.714000 0.3684000       10.41000      0.3541000     -0.6935000      0.5110000
  1 1 1     -10   -2   26 o    7.761000      0.2796000       7.443000 0.4159000       8.080000      0.3739000     -0.6364000      0.5593000
  1 1 1     -10   -2   27 o    5.579000      0.3438000       5.850000 0.4639000       5.308000      0.5077000      0.5420000      0.6877000
  1 1 1     -10   -2   28 o    4.070000      0.4628000       4.339000 0.6214000       3.801000      0.6859000      0.5382000      0.9256000
  1 1 1     -10   -2   29 o    6.034000      0.3591000       5.829000 0.5198000       6.240000      0.4956000     -0.4113000      0.7182000
  1 1 1     -10   -2   30 o    4.759000      0.4341000       4.929000 0.6053000       4.588000      0.6223000      0.3406000      0.8681000
  1 1 1     -10   -2   31 o    4.640000      0.4750000       4.784000 0.6607000       4.497000      0.6827000      0.2869000      0.9500000
  1 1 1     -10   -2   32 o    4.537000      0.5010000       4.345000 0.7387000       4.729000      0.6772000     -0.3845000       1.002000
  1 1 1     -10   -2   33 o    5.657000      0.4164000       6.231000 0.5370000       5.083000      0.6365000       1.148000      0.8327000
  1 1 1     -10   -2   34 o    2.343000      0.6920000       2.199000 0.9612000       2.488000      0.9957000     -0.2886000       1.384000
  1 1 1     -10   -2   35 o    6.311000      0.3779000       5.757000 0.5701000       6.865000      0.4964000      -1.108000      0.7559000
  1 1 1     -10   -2   36 o    2.407000      0.6699000       2.905000 1.106000       1.908000      0.7562000      0.9973000       1.340000
  1 1 1     -10   -1    1 o    7.986000      0.2161000       8.238000 0.3136000       7.734000      0.2973000      0.5040000      0.4321000
  1 1 1     -10   -1    2 o    15.31000      0.2258000       15.20000 0.3174000       15.41000      0.3212000     -0.2141000      0.4516000
  1 1 1     -10   -1    3 o    16.87000      0.2449000       16.91000 0.3474000       16.83000      0.3452000      0.7864000E-01  0.4897000
  1 1 1     -10   -1    4 o    19.49000      0.3934000       19.16000 0.5476000       19.81000      0.5651000     -0.6564000      0.7869000
  1 1 1     -10   -1    5 o    9.332000      0.1761000       9.439000 0.2503000       9.226000      0.2479000      0.2135000      0.3523000
  1 1 1     -10   -1    6 o    16.37000      0.2436000       16.54000 0.3479000       16.21000      0.3412000      0.3277000      0.4873000
  1 1 1     -10   -1    7 f    33.90000      0.4633000       34.58000 0.6667000       33.21000      0.6435000       1.368000      0.9266000
  1 1 1     -10   -1    8 o    34.40000      0.4698000       33.88000 0.6549000       34.92000      0.6737000      -1.046000      0.9396000
  1 1 1     -10   -1    9 o    16.04000      0.3004000       16.03000 0.4902000       16.04000      0.3473000     -0.1110000E-01  0.6007000
  1 1 1     -10   -1   10 o    10.84000      0.1994000       11.18000 0.2838000       10.50000      0.2802000      0.6741000      0.3988000
  1 1 1     -10   -1   11 o    2.219000      0.4138000       2.350000 0.5805000       2.087000      0.5900000      0.2636000      0.8277000
  1 1 1     -10   -1   12 o    2.308000      0.4330000       2.227000 0.6169000       2.388000      0.6078000     -0.1610000      0.8660000
  1 1 1     -10   -1   13 o    5.012000      0.2511000       4.514000 0.3798000       5.510000      0.3286000     -0.9959000      0.5022000
  1 1 1     -10   -1   14 o    6.073000      0.2272000       6.332000 0.3115000       5.813000      0.3308000      0.5190000      0.4544000
  1 1 1     -10   -1   15 o    11.57000      0.2191000       11.33000 0.3065000       11.81000      0.3132000     -0.4811000      0.4382000
  1 1 1     -10   -1   16 o    4.527000      0.2797000       4.533000 0.4033000       4.521000      0.3876000      0.1204000E-01  0.5593000
  1 1 1     -10   -1   17 o    6.493000      0.3386000       6.332000 0.4852000       6.655000      0.4725000     -0.3228000      0.6773000
  1 1 1     -10   -1   18 o    1.996000      0.5616000       1.879000 0.7867000       2.113000      0.8018000     -0.2348000       1.123000
  1 1 1     -10   -1   19 o    10.01000      0.2278000       10.19000 0.3191000       9.827000      0.3253000      0.3627000      0.4557000
  1 1 1     -10   -1   20 o    2.342000      0.5558000       3.133000 0.8414000       1.551000      0.7265000       1.582000       1.112000
  1 1 1     -10   -1   21 o    2.515000      0.6287000       2.645000 0.8970000       2.385000      0.8812000      0.2598000       1.257000
  1 1 1     -10   -1   22 o    4.121000      0.5642000       4.121000 0.5642000                  ?              ?              ?              ?
  1 1 1     -10   -1   23 f    6.325000      0.2990000       6.581000 0.4203000       6.069000      0.4255000      0.5117000      0.5981000
  1 1 1     -10   -1   24 o    4.179000      0.5406000                  ?       ?   4.179000      0.5406000                  ?              ?
  1 1 1     -10   -1   25 o    5.807000      0.3132000       5.728000 0.4561000       5.886000      0.4292000     -0.1576000      0.6263000
  1 1 1     -10   -1   26 o    9.782000      0.2598000       9.749000 0.3781000       9.815000      0.3563000     -0.6609000E-01  0.5195000
  1 1 1     -10   -1   27 o    1.757000      0.5215000       1.429000 0.6664000       2.084000      0.8025000     -0.6550000       1.043000
  1 1 1     -10   -1   28 o    2.303000      0.5876000       2.074000 0.8272000       2.532000      0.8347000     -0.4577000       1.175000
  1 1 1     -10   -1   29 o    4.544000      0.4347000       4.818000 0.5701000       4.270000      0.6564000      0.5488000      0.8694000
  1 1 1     -10   -1   30 f    8.357000      0.3080000       8.550000 0.4419000       8.164000      0.4291000      0.3866000      0.6159000
  1 1 1     -10   -1   31 o    2.582000      0.6378000       2.703000 0.9066000       2.461000      0.8973000      0.2412000       1.276000
  1 1 1     -10   -1   32 o    3.186000      0.6055000       2.769000 0.9041000       3.603000      0.8056000     -0.8344000       1.211000
  1 1 1     -10   -1   33 o    7.798000      0.4616000       8.191000 0.6744000       7.406000      0.6304000      0.7843000      0.9232000
  1 1 1     -10   -1   34 o    2.792000      0.7297000       2.864000 1.083000       2.719000      0.9784000      0.1446000       1.459000
  1 1 1     -10   -1   35 f    5.091000      0.4504000       5.047000 0.6589000       5.135000      0.6144000     -0.8756000E-01  0.9009000
  1 1 1     -10   -1   36 o    3.951000      0.7675000       3.832000 1.128000       4.071000       1.041000     -0.2395000       1.535000
  1 1 1     -10    0    1 o    16.23000      0.2356000       16.28000 0.3338000       16.18000      0.3326000      0.1006000      0.4712000
  1 1 1     -10    0    2 o    7.962000      0.1581000       7.960000 0.2235000       7.963000      0.2237000     -0.3139000E-02  0.3162000
  1 1 1     -10    0    3 o    12.49000      0.2777000       12.42000 0.3886000       12.56000      0.3967000     -0.1359000      0.5553000
  1 1 1     -10    0    5 o    10.57000      0.1840000       10.74000 0.2633000       10.41000      0.2572000      0.3315000      0.3681000
  1 1 1     -10    0    6 o    16.35000      0.2436000       16.33000 0.3441000       16.37000      0.3448000     -0.4334000E-01  0.4871000
  1 1 1     -10    0    7 f    21.58000      0.3067000       21.67000 0.4350000       21.48000      0.4325000      0.1909000      0.6134000
  1 1 1     -10    0    8 f    18.86000      0.2753000       19.31000 0.3967000       18.41000      0.3817000      0.8983000      0.5505000
  1 1 1     -10    0    9 o    7.542000      0.1819000       7.438000 0.2598000       7.647000      0.2548000     -0.2088000      0.3639000
  1 1 1     -10    0   10 o    13.30000      0.2191000       13.06000 0.3062000       13.54000      0.3134000     -0.4763000      0.4382000
  1 1 1     -10    0   11 o    8.921000      0.1971000       9.108000 0.2782000       8.734000      0.2794000      0.3739000      0.3943000
  1 1 1     -10    0   12 o    14.03000      0.2293000       14.26000 0.3275000       13.80000      0.3210000      0.4649000      0.4586000
  1 1 1     -10    0   13 o    8.963000      0.2504000       8.696000 0.2839000       9.229000      0.4127000     -0.5323000      0.5009000
  1 1 1     -10    0   14 o    11.26000      0.2153000       11.66000 0.3052000       10.86000      0.3037000      0.7991000      0.4305000
  1 1 1     -10    0   15 o    6.972000      0.2751000       7.044000 0.3109000       6.900000      0.4540000      0.1442000      0.5503000
  1 1 1     -10    0   16 o    6.598000      0.2272000       6.672000 0.3199000       6.524000      0.3227000      0.1477000      0.4544000
  1 1 1     -10    0   17 o    4.407000      0.4366000       5.172000 0.5439000       3.642000      0.6831000       1.530000      0.8731000
  1 1 1     -10    0   18 o    9.786000      0.2252000       9.876000 0.3202000       9.696000      0.3168000      0.1800000      0.4504000
  1 1 1     -10    0   19 o    8.934000      0.2302000       8.409000 0.3329000       9.459000      0.3182000      -1.050000      0.4605000
  1 1 1     -10    0   20 o    8.190000      0.3441000       8.084000 0.4745000       8.296000      0.4983000     -0.2123000      0.6881000
  1 1 1     -10    0   21 o    3.201000      0.4780000       3.712000 0.5986000       2.691000      0.7455000       1.021000      0.9561000
  1 1 1     -10    0   22 o    2.513000      0.5299000       2.834000 0.7275000       2.192000      0.7708000      0.6420000       1.060000
  1 1 1     -10    0   23 o    9.746000      0.2441000       9.655000 0.3470000       9.837000      0.3433000     -0.1825000      0.4881000
  1 1 1     -10    0   24 o    3.027000      0.5025000       3.146000 0.6868000       2.909000      0.7336000      0.2365000       1.005000
  1 1 1     -10    0   25 o    1.989000      0.5475000       2.014000 0.7989000       1.963000      0.7487000      0.5107000E-01   1.095000
  1 1 1     -10    0   26 o    18.08000      0.2980000       18.50000 0.4278000       17.66000      0.4150000      0.8335000      0.5960000
  1 1 1     -10    0   27 o    5.430000      0.3647000       4.828000 0.5640000       6.032000      0.4624000      -1.204000      0.7293000
  1 1 1     -10    0   28 o    3.953000      0.4904000       3.925000 0.7107000       3.980000      0.6758000     -0.5463000E-01  0.9807000
  1 1 1     -10    0   29 o    3.096000      0.5639000       3.718000 0.7525000       2.475000      0.8400000       1.243000       1.128000
  1 1 1     -10    0   30 o    2.659000      0.5454000       1.726000 0.7691000       3.593000      0.7735000      -1.867000       1.091000
  1 1 1     -10    0   31 o    5.950000      0.3804000       5.957000 0.5676000       5.943000      0.5067000      0.1417000E-01  0.7609000
  1 1 1     -10    0   32 o    6.331000      0.3763000       5.980000 0.5600000       6.683000      0.5027000     -0.7032000      0.7525000
  1 1 1     -10    0   33 o    5.065000      0.6079000       5.580000 0.8175000       4.550000      0.8999000       1.030000       1.216000
  1 1 1     -10    0   34 o    2.327000      0.6074000       2.379000 0.8960000       2.275000      0.8203000      0.1044000       1.215000
  1 1 1     -10    0   35 o    1.927000      0.5864000       1.852000 0.8194000       2.003000      0.8391000     -0.1500000       1.173000
  1 1 1     -10    0   36 o    4.436000      0.6944000       4.149000 1.061000       4.723000      0.8968000     -0.5744000       1.389000
  1 1 1     -10    1    1 o    12.42000      0.1933000       12.38000 0.2737000       12.46000      0.2730000     -0.7478000E-01  0.3865000
  1 1 1     -10    1    2 o    20.75000      0.4136000       20.98000 0.5902000       20.53000      0.5796000      0.4526000      0.8272000
  1 1 1     -10    1    3 o    14.48000      0.3100000       14.35000 0.4339000       14.60000      0.4429000     -0.2484000      0.6200000
  1 1 1     -10    1    4 o    27.10000      0.3739000       27.46000 0.5353000       26.74000      0.5220000      0.7147000      0.7477000
  1 1 1     -10    1    5 o    8.557000      0.1725000       8.317000 0.2424000       8.797000      0.2456000     -0.4802000      0.3451000
  1 1 1     -10    1    6 o    10.21000      0.1843000       10.15000 0.2600000       10.27000      0.2613000     -0.1274000      0.3686000
  1 1 1     -10    1    7 o    9.743000      0.1836000       9.880000 0.2616000       9.605000      0.2576000      0.2743000      0.3672000
  1 1 1     -10    1    8 o    6.436000      0.1838000       6.620000 0.2587000       6.252000      0.2613000      0.3672000      0.3677000
  1 1 1     -10    1    9 o    13.35000      0.2176000       13.48000 0.3092000       13.21000      0.3064000      0.2630000      0.4353000
  1 1 1     -10    1   10 o    10.46000      0.1976000       10.58000 0.2791000       10.33000      0.2797000      0.2488000      0.3951000
  1 1 1     -10    1   11 o    12.22000      0.2122000       12.15000 0.2998000       12.29000      0.3005000     -0.1410000      0.4245000
  1 1 1     -10    1   12 o    13.53000      0.2253000       14.15000 0.3256000       12.92000      0.3116000       1.236000      0.4507000
  1 1 1     -10    1   13 o    8.190000      0.2544000       7.733000 0.2892000       8.646000      0.4185000     -0.9126000      0.5088000
  1 1 1     -10    1   14 o    5.798000      0.2329000       5.758000 0.3345000       5.838000      0.3242000     -0.8008000E-01  0.4658000
  1 1 1     -10    1   15 o    5.468000      0.2546000       5.248000 0.3686000       5.688000      0.3512000     -0.4398000      0.5091000
  1 1 1     -10    1   16 o    5.427000      0.3649000       5.346000 0.5342000       5.508000      0.4973000     -0.1611000      0.7299000
  1 1 1     -10    1   17 o    11.38000      0.3133000       11.46000 0.4534000       11.30000      0.4326000      0.1574000      0.6267000
  1 1 1     -10    1   18 o    11.72000      0.2304000       11.46000 0.3258000       11.98000      0.3257000     -0.5183000      0.4607000
  1 1 1     -10    1   19 o    3.442000      0.5600000       3.396000 0.7769000       3.488000      0.8066000     -0.9193000E-01   1.120000
  1 1 1     -10    1   20 o    10.89000      0.3277000       10.72000 0.4608000       11.06000      0.4661000     -0.3441000      0.6554000
  1 1 1     -10    1   21 o    6.174000      0.2599000       6.076000 0.3826000       6.272000      0.3518000     -0.1963000      0.5198000
  1 1 1     -10    1   22 o    11.53000      0.2377000       11.59000 0.3391000       11.46000      0.3333000      0.1271000      0.4755000
  1 1 1     -10    1   23 o    11.45000      0.2468000       11.34000 0.3487000       11.55000      0.3492000     -0.2096000      0.4935000
  1 1 1     -10    1   24 o    6.104000      0.3067000       5.355000 0.4768000       6.852000      0.3860000      -1.497000      0.6134000
  1 1 1     -10    1   25 o    9.133000      0.2591000       8.884000 0.3754000       9.381000      0.3573000     -0.4962000      0.5182000
  1 1 1     -10    1   26 o    6.290000      0.3148000       5.781000 0.4803000       6.800000      0.4070000      -1.019000      0.6296000
  1 1 1     -10    1   27 o    7.568000      0.2774000       7.828000 0.4028000       7.307000      0.3816000      0.5206000      0.5549000
  1 1 1     -10    1   28 o    5.246000      0.3741000       4.880000 0.5434000       5.612000      0.5143000     -0.7316000      0.7482000
  1 1 1     -10    1   29 o    6.343000      0.3418000       6.222000 0.4814000       6.463000      0.4853000     -0.2405000      0.6836000
  1 1 1     -10    1   30 o    2.068000      0.5813000       1.807000 0.7898000       2.330000      0.8530000     -0.5234000       1.163000
  1 1 1     -10    1   31 o    4.347000      0.5059000       4.322000 0.7265000       4.373000      0.7042000     -0.5170000E-01   1.012000
  1 1 1     -10    1   32 o    7.506000      0.4478000       8.014000 0.6149000       6.999000      0.6511000       1.015000      0.8955000
  1 1 1     -10    1   33 o    1.930000      0.6137000       1.752000 0.8305000       2.107000      0.9038000     -0.3546000       1.227000
  1 1 1     -10    1   34 o    2.167000      0.5967000       2.467000 0.8821000       1.867000      0.8037000      0.5998000       1.193000
  1 1 1     -10    1   35 o    3.349000      0.7569000       2.587000 1.052000       4.112000       1.088000      -1.525000       1.514000
  1 1 1     -10    1   36 o    4.244000      0.5137000       3.999000 0.8106000       4.490000      0.6314000     -0.4907000       1.027000
  1 1 1     -10    2    1 o    14.26000      0.3039000       14.71000 0.4396000       13.81000      0.4196000      0.8969000      0.6078000
  1 1 1     -10    2    2 o    9.680000      0.2444000       9.536000 0.3411000       9.824000      0.3501000     -0.2879000      0.4888000
  1 1 1     -10    2    3 o    6.703000      0.2031000       6.375000 0.2304000       7.031000      0.3346000     -0.6562000      0.4063000
  1 1 1     -10    2    4 o    13.25000      0.2101000       13.15000 0.2938000       13.34000      0.3005000     -0.1858000      0.4202000
  1 1 1     -10    2    5 o    3.558000      0.2467000       4.036000 0.2932000       3.080000      0.3970000      0.9558000      0.4935000
  1 1 1     -10    2    6 o    5.029000      0.1899000       4.942000 0.2752000       5.115000      0.2619000     -0.1726000      0.3799000
  1 1 1     -10    2    7 o    3.364000      0.2651000       3.379000 0.3769000       3.349000      0.3730000      0.3021000E-01  0.5303000
  1 1 1     -10    2    8 o    23.91000      0.3376000       23.83000 0.4760000       24.00000      0.4789000     -0.1703000      0.6753000
  1 1 1     -10    2    9 o    7.549000      0.1848000       7.605000 0.2609000       7.493000      0.2619000      0.1117000      0.3697000
  1 1 1     -10    2   10 o    1.969000      0.4067000       2.275000 0.5580000       1.662000      0.5917000      0.6131000      0.8133000
  1 1 1     -10    2   11 o    8.529000      0.1943000       8.416000 0.2741000       8.643000      0.2756000     -0.2275000      0.3887000
  1 1 1     -10    2   12 o    6.007000      0.2119000       5.680000 0.3020000       6.335000      0.2973000     -0.6549000      0.4238000
  1 1 1     -10    2   13 o    7.981000      0.2051000       8.205000 0.2906000       7.757000      0.2894000      0.4474000      0.4101000
  1 1 1     -10    2   14 o    4.487000      0.2670000       4.755000 0.3593000       4.219000      0.3949000      0.5360000      0.5339000
  1 1 1     -10    2   15 f    5.604000      0.3227000       6.029000 0.4570000       5.178000      0.4557000      0.8511000      0.6454000
  1 1 1     -10    2   16 o    11.64000      0.3120000       11.55000 0.4502000       11.74000      0.4319000     -0.1854000      0.6239000
  1 1 1     -10    2   17 o    1.345000      0.4167000       1.317000 0.5831000       1.374000      0.5955000     -0.5662000E-01  0.8334000
  1 1 1     -10    2   18 o    4.983000      0.4099000       4.670000 0.5927000       5.295000      0.5664000     -0.6252000      0.8198000
  1 1 1     -10    2   19 o    12.18000      0.3351000       12.61000 0.4731000       11.75000      0.4747000      0.8623000      0.6703000
  1 1 1     -10    2   20 o    8.480000      0.2362000       8.275000 0.3413000       8.685000      0.3266000     -0.4097000      0.4724000
  1 1 1     -10    2   21 o    10.93000      0.2410000       10.58000 0.3425000       11.27000      0.3393000     -0.6848000      0.4821000
  1 1 1     -10    2   22 o    11.45000      0.2430000       11.62000 0.3425000       11.28000      0.3449000      0.3487000      0.4861000
  1 1 1     -10    2   23 o    12.02000      0.2447000       11.43000 0.3475000       12.60000      0.3447000      -1.170000      0.4894000
  1 1 1     -10    2   24 o    5.956000      0.2937000       5.983000 0.4139000       5.930000      0.4169000      0.5337000E-01  0.5874000
  1 1 1     -10    2   25 o    3.674000      0.4545000       4.168000 0.5880000       3.179000      0.6934000      0.9890000      0.9091000
  1 1 1     -10    2   26 o    5.274000      0.3525000       4.811000 0.5513000       5.736000      0.4393000     -0.9253000      0.7049000
  1 1 1     -10    2   27 o    1.869000      0.5363000       1.803000 0.7519000       1.935000      0.7648000     -0.1318000       1.073000
  1 1 1     -10    2   28 o    7.327000      0.2971000       7.122000 0.4340000       7.532000      0.4058000     -0.4098000      0.5941000
  1 1 1     -10    2   29 o    6.827000      0.3098000       7.217000 0.4326000       6.437000      0.4435000      0.7796000      0.6196000
  1 1 1     -10    2   30 o    4.732000      0.4246000       4.756000 0.6154000       4.709000      0.5851000      0.4713000E-01  0.8492000
  1 1 1     -10    2   31 o    3.378000      0.6024000       3.715000 0.8126000       3.041000      0.8896000      0.6744000       1.205000
  1 1 1     -10    2   32 o    4.643000      0.6150000       4.248000 0.9737000       5.039000      0.7515000     -0.7911000       1.230000
  1 1 1     -10    2   33 o    4.826000      0.4842000       4.218000 0.7755000       5.433000      0.5799000      -1.215000      0.9683000
  1 1 1     -10    2   34 o    2.165000      0.5704000       2.145000 0.8061000       2.186000      0.8072000     -0.4109000E-01   1.141000
  1 1 1     -10    2   35 o    2.400000      0.7135000       2.096000 0.9412000       2.705000       1.073000     -0.6085000       1.427000
  1 1 1     -10    2   36 o    2.747000      0.5703000       3.651000 0.8195000       1.843000      0.7933000       1.808000       1.141000
  1 1 1     -10    3    1 o    19.31000      0.3931000       19.70000 0.5692000       18.91000      0.5422000      0.7916000      0.7862000
  1 1 1     -10    3    2 o    3.948000      0.2919000       3.979000 0.4133000       3.917000      0.4123000      0.6195000E-01  0.5838000
  1 1 1     -10    3    3 o    13.40000      0.2604000       13.55000 0.4253000       13.26000      0.3007000      0.2910000      0.5209000
  1 1 1     -10    3    4 o    18.35000      0.2670000       18.25000 0.3737000       18.45000      0.3814000     -0.1978000      0.5339000
  1 1 1     -10    3    5 o    10.56000      0.1896000       10.62000 0.2658000       10.49000      0.2706000      0.1235000      0.3793000
  1 1 1     -10    3    6 o    15.42000      0.2372000       15.44000 0.3338000       15.40000      0.3372000      0.4229000E-01  0.4745000
  1 1 1     -10    3    7 o    7.796000      0.1864000       8.018000 0.2574000       7.573000      0.2696000      0.4448000      0.3728000
  1 1 1     -10    3    8 o    29.41000      0.4077000       29.13000 0.5703000       29.70000      0.5827000     -0.5741000      0.8154000
  1 1 1     -10    3    9 o    15.57000      0.2438000       15.35000 0.3372000       15.79000      0.3522000     -0.4463000      0.4876000
  1 1 1     -10    3   10 o    4.724000      0.2658000       5.433000 0.3123000       4.016000      0.4303000       1.417000      0.5317000
  1 1 1     -10    3   11 f    10.19000      0.2090000       10.45000 0.2865000       9.926000      0.3043000      0.5283000      0.4179000
  1 1 1     -10    3   12 o    10.40000      0.2067000       10.60000 0.2953000       10.21000      0.2893000      0.3856000      0.4134000
  1 1 1     -10    3   13 o    11.76000      0.2167000       11.65000 0.3060000       11.87000      0.3070000     -0.2171000      0.4335000
  1 1 1     -10    3   14 o    8.960000      0.2836000       8.975000 0.4059000       8.945000      0.3962000      0.2970000E-01  0.5672000
  1 1 1     -10    3   15 o    12.74000      0.3201000       12.85000 0.4590000       12.63000      0.4463000      0.2193000      0.6402000
  1 1 1     -10    3   16 o    11.51000      0.2223000       11.47000 0.3125000       11.54000      0.3162000     -0.6748000E-01  0.4446000
  1 1 1     -10    3   17 o    4.281000      0.3069000       4.262000 0.4351000       4.299000      0.4329000     -0.3705000E-01  0.6138000
  1 1 1     -10    3   18 o    9.122000      0.3268000       9.098000 0.4533000       9.147000      0.4710000     -0.4953000E-01  0.6536000
  1 1 1     -10    3   19 o    11.07000      0.2312000       11.26000 0.3281000       10.88000      0.3258000      0.3861000      0.4624000
  1 1 1     -10    3   20 o    5.542000      0.2713000       5.369000 0.3993000       5.715000      0.3674000     -0.3461000      0.5426000
  1 1 1     -10    3   21 o    11.37000      0.2376000       11.86000 0.3401000       10.88000      0.3318000      0.9797000      0.4751000
  1 1 1     -10    3   22 o    5.741000      0.2973000       6.143000 0.4071000       5.338000      0.4335000      0.8045000      0.5946000
  1 1 1     -10    3   23 o    6.900000      0.3949000       6.900000 0.3949000                  ?              ?              ?              ?
  1 1 1     -10    3   24 o    12.35000      0.2516000       12.28000 0.3570000       12.42000      0.3547000     -0.1392000      0.5032000
  1 1 1     -10    3   25 o    5.443000      0.4647000                  ?       ?   5.443000      0.4647000                  ?              ?
  1 1 1     -10    3   26 o    3.440000      0.5074000       3.318000 0.7394000       3.562000      0.6952000     -0.2439000       1.015000
  1 1 1     -10    3   27 o    8.071000      0.2831000       7.724000 0.4097000       8.417000      0.3908000     -0.6931000      0.5662000
  1 1 1     -10    3   28 o    9.116000      0.2733000       8.520000 0.4032000       9.712000      0.3689000      -1.193000      0.5465000
  1 1 1     -10    3   29 o    7.319000      0.3057000       6.980000 0.4378000       7.659000      0.4266000     -0.6787000      0.6113000
  1 1 1     -10    3   30 o    5.041000      0.4250000       5.128000 0.6087000       4.954000      0.5934000      0.1743000      0.8500000
  1 1 1     -10    3   31 o    5.890000      0.5054000       5.603000 0.7771000       6.176000      0.6463000     -0.5725000       1.011000
  1 1 1     -10    3   32 o    5.973000      0.3754000       6.355000 0.5073000       5.590000      0.5534000      0.7648000      0.7507000
  1 1 1     -10    3   33 o    7.310000      0.3217000       7.294000 0.4690000       7.326000      0.4405000     -0.3124000E-01  0.6434000
  1 1 1     -10    3   34 o    2.530000      0.7249000       2.207000 0.9692000       2.853000       1.078000     -0.6460000       1.450000
  1 1 1     -10    3   35 o    1.505000      0.5000000       1.775000 0.7919000       1.236000      0.6106000      0.5392000      0.9999000
  1 1 1     -10    4    1 o    8.352000      0.1742000       8.270000 0.2453000       8.435000      0.2475000     -0.1654000      0.3485000
  1 1 1     -10    4    2 o    22.32000      0.3148000       22.28000 0.4448000       22.37000      0.4457000     -0.9021000E-01  0.6297000
  1 1 1     -10    4    3 o    12.71000      0.2073000       12.61000 0.2923000       12.81000      0.2940000     -0.2085000      0.4146000
  1 1 1     -10    4    4 o    8.671000      0.2199000       8.780000 0.3520000       8.562000      0.2636000      0.2189000      0.4397000
  1 1 1     -10    4    5 o    2.744000      0.3304000       2.232000 0.5332000       3.256000      0.3902000      -1.025000      0.6607000
  1 1 1     -10    4    6 o    5.605000      0.2057000       5.589000 0.2892000       5.621000      0.2927000     -0.3251000E-01  0.4114000
  1 1 1     -10    4    7 o    3.373000      0.3149000       3.974000 0.3376000       2.771000      0.5317000       1.203000      0.6299000
  1 1 1     -10    4    8 o    10.86000      0.2025000       10.67000 0.2783000       11.06000      0.2942000     -0.3925000      0.4050000
  1 1 1     -10    4    9 o    11.29000      0.2088000       11.62000 0.2919000       10.95000      0.2985000      0.6791000      0.4175000
  1 1 1     -10    4   10 o    15.05000      0.2935000       15.55000 0.3449000       14.54000      0.4749000       1.014000      0.5869000
  1 1 1     -10    4   11 o    4.820000      0.2441000       4.559000 0.3372000       5.081000      0.3529000     -0.5214000      0.4881000
  1 1 1     -10    4   12 o    7.164000      0.2114000       7.048000 0.2865000       7.279000      0.3110000     -0.2303000      0.4228000
  1 1 1     -10    4   13 o    10.50000      0.3107000       11.07000 0.4239000       9.922000      0.4543000       1.152000      0.6213000
  1 1 1     -10    4   14 o    8.716000      0.3098000       8.631000 0.4028000       8.802000      0.4708000     -0.1715000      0.6196000
  1 1 1     -10    4   15 o    3.126000      0.4046000       3.569000 0.4519000       2.682000      0.6712000      0.8876000      0.8092000
  1 1 1     -10    4   16 o    5.721000      0.2801000       6.133000 0.3585000       5.309000      0.4305000      0.8240000      0.5602000
  1 1 1     -10    4   17 f    4.957000      0.4172000       4.996000 0.5299000       4.919000      0.6445000      0.7703000E-01  0.8344000
  1 1 1     -10    4   18 o    11.40000      0.2418000       11.40000 0.3326000       11.39000      0.3511000      0.8287000E-02  0.4836000
  1 1 1     -10    4   19 f    8.215000      0.2869000       7.979000 0.3259000       8.450000      0.4722000     -0.4715000      0.5738000
  1 1 1     -10    4   20 o    7.197000      0.2628000       7.321000 0.3507000       7.074000      0.3916000      0.2471000      0.5256000
  1 1 1     -10    4   21 f    4.517000      0.5088000       5.505000 0.4131000       3.530000      0.9299000       1.975000       1.018000
  1 1 1     -10    4   22 o    7.324000      0.2559000       7.459000 0.3585000       7.189000      0.3652000      0.2694000      0.5118000
  1 1 1     -10    4   23 o    3.269000      0.5244000       3.277000 0.6947000       3.262000      0.7856000      0.1488000E-01   1.049000
  1 1 1     -10    4   24 o    8.189000      0.2616000       8.111000 0.3793000       8.268000      0.3604000     -0.1567000      0.5232000
  1 1 1     -10    4   25 f    2.810000      0.7222000                  ?       ?   2.810000      0.7222000                  ?              ?
  1 1 1     -10    4   26 o    6.414000      0.2952000       6.543000 0.4342000       6.285000      0.4000000      0.2579000      0.5904000
  1 1 1     -10    4   27 o    7.524000      0.2881000       7.641000 0.4083000       7.407000      0.4065000      0.2340000      0.5762000
  1 1 1     -10    4   28 o    4.298000      0.4475000       4.065000 0.6721000       4.531000      0.5912000     -0.4663000      0.8951000
  1 1 1     -10    4   29 o    2.560000      0.5862000       2.056000 0.8335000       3.064000      0.8245000      -1.008000       1.172000
  1 1 1     -10    4   30 o    2.668000      0.6800000       3.086000 1.006000       2.250000      0.9150000      0.8358000       1.360000
  1 1 1     -10    4   31 o    7.323000      0.4270000       7.037000 0.6227000       7.610000      0.5845000     -0.5739000      0.8541000
  1 1 1     -10    4   32 o    1.974000      0.5793000       2.131000 0.8482000       1.816000      0.7892000      0.3148000       1.159000
  1 1 1     -10    4   33 o    3.127000      0.7658000       3.579000 1.095000       2.676000       1.071000      0.9034000       1.532000
  1 1 1     -10    4   34 o    2.408000      0.5806000       3.039000 0.8677000       1.777000      0.7718000       1.262000       1.161000
  1 1 1     -10    4   35 o    1.895000      0.5721000       2.085000 0.8659000       1.705000      0.7478000      0.3802000       1.144000
  1 1 1     -10    5    1 o    5.986000      0.1782000       6.027000 0.2535000       5.945000      0.2503000      0.8143000E-01  0.3563000
  1 1 1     -10    5    2 o    15.57000      0.2349000       15.58000 0.3326000       15.56000      0.3318000      0.1589000E-01  0.4698000
  1 1 1     -10    5    3 o    17.19000      0.2548000       17.57000 0.3668000       16.80000      0.3538000      0.7773000      0.5096000
  1 1 1     -10    5    4 o    12.65000      0.2095000       12.86000 0.2997000       12.44000      0.2929000      0.4201000      0.4191000
  1 1 1     -10    5    5 o    7.609000      0.1877000       7.774000 0.2646000       7.444000      0.2665000      0.3298000      0.3755000
  1 1 1     -10    5    6 o    6.127000      0.2054000       6.595000 0.2792000       5.660000      0.3014000      0.9357000      0.4109000
  1 1 1     -10    5    7 o    10.18000      0.2551000       10.33000 0.4249000       10.03000      0.2823000      0.2965000      0.5102000
  1 1 1     -10    5    8 o    15.78000      0.2474000       15.81000 0.3498000       15.74000      0.3500000      0.6633000E-01  0.4948000
  1 1 1     -10    5    9 o    7.196000      0.2443000       7.387000 0.3844000       7.005000      0.3016000      0.3819000      0.4887000
  1 1 1     -10    5   10 o    7.033000      0.2130000       7.243000 0.2896000       6.824000      0.3123000      0.4191000      0.4259000
  1 1 1     -10    5   11 o    3.731000      0.3359000       4.323000 0.3603000       3.139000      0.5671000       1.185000      0.6719000
  1 1 1     -10    5   12 f    5.533000      0.3384000       5.484000 0.4257000       5.583000      0.5262000     -0.9979000E-01  0.6769000
  1 1 1     -10    5   13 o    13.96000      0.3399000       14.25000 0.4669000       13.68000      0.4940000      0.5738000      0.6797000
  1 1 1     -10    5   14 o    6.487000      0.2380000       6.341000 0.3171000       6.633000      0.3551000     -0.2923000      0.4761000
  1 1 1     -10    5   15 o    14.66000      0.2513000       14.18000 0.3409000       15.13000      0.3694000     -0.9449000      0.5026000
  1 1 1     -10    5   16 o    9.524000      0.3247000       9.179000 0.4506000       9.870000      0.4675000     -0.6916000      0.6493000
  1 1 1     -10    5   17 o    1.408000      0.4415000       1.229000 0.5648000       1.587000      0.6786000     -0.3578000      0.8829000
  1 1 1     -10    5   18 o    5.035000      0.3195000       5.279000 0.4095000       4.791000      0.4906000      0.4883000      0.6390000
  1 1 1     -10    5   19 o    17.22000      0.2807000       16.82000 0.3872000       17.61000      0.4066000     -0.7939000      0.5615000
  1 1 1     -10    5   20 o    2.880000      0.5056000       2.421000 0.7466000       3.338000      0.6821000     -0.9165000       1.011000
  1 1 1     -10    5   21 o    14.23000      0.2602000       14.06000 0.3604000       14.40000      0.3754000     -0.3402000      0.5204000
  1 1 1     -10    5   22 o    7.902000      0.2733000       7.986000 0.3614000       7.817000      0.4101000      0.1685000      0.5466000
  1 1 1     -10    5   23 o    11.58000      0.2541000       12.07000 0.3408000       11.09000      0.3770000      0.9781000      0.5083000
  1 1 1     -10    5   24 o    6.427000      0.3090000       6.645000 0.3864000       6.209000      0.4823000      0.4366000      0.6180000
  1 1 1     -10    5   25 o    7.102000      0.3267000       6.231000 0.4783000       7.972000      0.4452000      -1.741000      0.6535000
  1 1 1     -10    5   26 o    6.215000      0.3439000       5.215000 0.5171000       7.214000      0.4536000      -1.999000      0.6879000
  1 1 1     -10    5   27 o    2.238000      0.5926000       2.157000 0.7969000       2.320000      0.8774000     -0.1626000       1.185000
  1 1 1     -10    5   28 o    5.313000      0.4210000       5.055000 0.5752000       5.570000      0.6150000     -0.5152000      0.8421000
  1 1 1     -10    5   29 o    3.648000      0.5242000       3.596000 0.7118000       3.700000      0.7698000     -0.1042000       1.048000
  1 1 1     -10    5   30 o    4.487000      0.7159000       3.988000 0.9548000       4.986000       1.067000     -0.9978000       1.432000
  1 1 1     -10    5   31 o    5.071000      0.4632000       5.019000 0.6046000       5.123000      0.7020000     -0.1041000      0.9265000
  1 1 1     -10    5   32 o    2.400000      0.7033000       1.882000 0.8816000       2.918000       1.096000      -1.036000       1.407000
  1 1 1     -10    5   33 o    3.142000      0.7370000       3.933000 1.068000       2.352000       1.015000       1.581000       1.474000
  1 1 1     -10    5   34 o    2.061000      0.5988000       2.030000 0.8393000       2.092000      0.8543000     -0.6183000E-01   1.198000
  1 1 1     -10    5   35 o    3.545000      0.5440000       2.886000 0.8480000       4.203000      0.6816000      -1.317000       1.088000
  1 1 1     -10    6    1 o    3.469000      0.2387000       3.734000 0.3283000       3.204000      0.3465000      0.5294000      0.4774000
  1 1 1     -10    6    2 o    16.74000      0.2484000       16.56000 0.3490000       16.92000      0.3535000     -0.3525000      0.4968000
  1 1 1     -10    6    3 o    14.58000      0.2261000       14.61000 0.3210000       14.56000      0.3186000      0.5517000E-01  0.4523000
  1 1 1     -10    6    4 o    13.71000      0.2199000       13.83000 0.3121000       13.59000      0.3099000      0.2346000      0.4398000
  1 1 1     -10    6    5 o    9.119000      0.1930000       9.237000 0.2757000       9.001000      0.2703000      0.2353000      0.3861000
  1 1 1     -10    6    6 o    7.573000      0.1950000       7.539000 0.2745000       7.607000      0.2770000     -0.6799000E-01  0.3900000
  1 1 1     -10    6    7 o    6.508000      0.2042000       6.654000 0.2857000       6.361000      0.2919000      0.2929000      0.4085000
  1 1 1     -10    6    8 o    9.306000      0.2023000       9.273000 0.2858000       9.339000      0.2865000     -0.6602000E-01  0.4046000
  1 1 1     -10    6    9 o    6.479000      0.2200000       6.515000 0.3082000       6.443000      0.3141000      0.7199000E-01  0.4400000
  1 1 1     -10    6   10 o    7.426000      0.2161000       7.422000 0.3067000       7.429000      0.3045000     -0.6733000E-02  0.4322000
  1 1 1     -10    6   11 o    6.072000      0.3315000       6.282000 0.4162000       5.862000      0.5160000      0.4202000      0.6629000
  1 1 1     -10    6   12 o    3.071000      0.5665000       3.216000 0.7344000       2.925000      0.8627000      0.2909000       1.133000
  1 1 1     -10    6   13 o    7.038000      0.2277000       6.878000 0.3062000       7.199000      0.3370000     -0.3215000      0.4554000
  1 1 1     -10    6   14 o    10.54000      0.2216000       10.37000 0.2976000       10.70000      0.3284000     -0.3268000      0.4432000
  1 1 1     -10    6   15 o    9.356000      0.3067000       8.786000 0.4225000       9.925000      0.4448000      -1.138000      0.6134000
  1 1 1     -10    6   16 o    11.75000      0.2861000       12.21000 0.4574000       11.29000      0.3437000      0.9182000      0.5721000
  1 1 1     -10    6   17 o    3.264000      0.4436000       3.789000 0.4910000       2.738000      0.7389000       1.051000      0.8872000
  1 1 1     -10    6   18 o    3.768000      0.3850000       3.829000 0.4959000       3.706000      0.5890000      0.1233000      0.7699000
  1 1 1     -10    6   19 o    6.679000      0.2672000       6.528000 0.3612000       6.829000      0.3939000     -0.3010000      0.5345000
  1 1 1     -10    6   20 o    10.72000      0.2425000       10.66000 0.3325000       10.79000      0.3532000     -0.1305000      0.4850000
  1 1 1     -10    6   21 o    6.348000      0.2879000       6.406000 0.3871000       6.290000      0.4262000      0.1166000      0.5758000
  1 1 1     -10    6   22 o    6.448000      0.2865000       6.246000 0.3802000       6.650000      0.4287000     -0.4041000      0.5730000
  1 1 1     -10    6   23 o    9.225000      0.2684000       9.335000 0.3544000       9.116000      0.4032000      0.2190000      0.5368000
  1 1 1     -10    6   24 o    2.174000      0.5547000       1.739000 0.7289000       2.609000      0.8365000     -0.8706000       1.109000
  1 1 1     -10    6   25 o    7.104000      0.3142000       7.124000 0.4134000       7.083000      0.4732000      0.4185000E-01  0.6283000
  1 1 1     -10    6   26 o    5.502000      0.3878000       5.932000 0.4806000       5.072000      0.6087000      0.8603000      0.7756000
  1 1 1     -10    6   27 o    11.21000      0.2838000       11.50000 0.3868000       10.93000      0.4154000      0.5724000      0.5676000
  1 1 1     -10    6   28 o    9.691000      0.3017000       10.11000 0.3820000       9.271000      0.4671000      0.8393000      0.6035000
  1 1 1     -10    6   29 o    2.868000      0.7406000       1.968000 0.8758000       3.769000       1.195000      -1.800000       1.481000
  1 1 1     -10    6   30 o    2.248000      0.6153000       1.866000 0.7851000       2.629000      0.9475000     -0.7631000       1.231000
  1 1 1     -10    6   31 o    5.342000      0.4336000       5.382000 0.5161000       5.301000      0.6970000      0.8100000E-01  0.8673000
  1 1 1     -10    6   32 o    2.294000      0.7035000       2.276000 0.9861000       2.313000       1.004000     -0.3690000E-01   1.407000
  1 1 1     -10    6   33 o    2.489000      0.6160000       2.254000 0.8518000       2.725000      0.8901000     -0.4709000       1.232000
  1 1 1     -10    6   34 o    3.674000      0.5717000       4.271000 0.7432000       3.076000      0.8690000       1.195000       1.143000
  1 1 1     -10    6   35 o    5.093000      0.8617000                  ?       ?   5.093000      0.8617000                  ?              ?
  1 1 1     -10    7    1 o    1.127000      0.3431000       1.291000 0.5195000      0.9622000      0.4485000      0.3289000      0.6863000
  1 1 1     -10    7    2 o    8.346000      0.1795000       8.482000 0.2588000       8.210000      0.2488000      0.2720000      0.3590000
  1 1 1     -10    7    3 o    8.873000      0.1849000       8.822000 0.2630000       8.923000      0.2599000     -0.1011000      0.3697000
  1 1 1     -10    7    4 o    13.68000      0.2206000       13.74000 0.3138000       13.62000      0.3103000      0.1224000      0.4413000
  1 1 1     -10    7    5 o    15.86000      0.2439000       15.94000 0.3470000       15.78000      0.3429000      0.1592000      0.4878000
  1 1 1     -10    7    6 o    1.938000      0.3915000       2.518000 0.5288000       1.358000      0.5775000       1.160000      0.7831000
  1 1 1     -10    7    7 o    10.24000      0.2035000       10.23000 0.2897000       10.25000      0.2857000     -0.2411000E-01  0.4069000
  1 1 1     -10    7    8 o    6.912000      0.2454000       7.162000 0.3904000       6.662000      0.2976000      0.4999000      0.4909000
  1 1 1     -10    7    9 o    2.823000      0.4016000       2.734000 0.5641000       2.911000      0.5716000     -0.1777000      0.8031000
  1 1 1     -10    7   10 o    6.224000      0.3180000       6.427000 0.4076000       6.021000      0.4883000      0.4059000      0.6360000
  1 1 1     -10    7   11 o    4.146000      0.3130000       3.985000 0.4461000       4.308000      0.4392000     -0.3234000      0.6261000
  1 1 1     -10    7   12 o    6.903000      0.2359000       6.542000 0.3453000       7.265000      0.3217000     -0.7231000      0.4719000
  1 1 1     -10    7   13 o    3.272000      0.5870000       3.424000 0.8494000       3.120000      0.8103000      0.3037000       1.174000
  1 1 1     -10    7   14 o    2.565000      0.5725000       1.873000 0.8365000       3.258000      0.7820000      -1.385000       1.145000
  1 1 1     -10    7   15 o    6.815000      0.2498000       6.869000 0.3269000       6.761000      0.3779000      0.1082000      0.4997000
  1 1 1     -10    7   16 o    8.911000      0.2312000       9.027000 0.3102000       8.796000      0.3429000      0.2304000      0.4624000
  1 1 1     -10    7   17 o    8.351000      0.2373000       8.474000 0.3131000       8.227000      0.3565000      0.2469000      0.4745000
  1 1 1     -10    7   18 o    10.34000      0.2363000       10.26000 0.3209000       10.42000      0.3471000     -0.1559000      0.4727000
  1 1 1     -10    7   19 o    8.753000      0.2426000       9.071000 0.3287000       8.435000      0.3570000      0.6356000      0.4853000
  1 1 1     -10    7   20 o    6.872000      0.2644000       7.081000 0.3527000       6.662000      0.3940000      0.4193000      0.5288000
  1 1 1     -10    7   21 o    10.45000      0.2465000       10.02000 0.3324000       10.87000      0.3641000     -0.8567000      0.4930000
  1 1 1     -10    7   22 o    11.56000      0.2538000       11.73000 0.3445000       11.38000      0.3729000      0.3487000      0.5077000
  1 1 1     -10    7   23 o    6.153000      0.3229000       6.028000 0.4272000       6.278000      0.4844000     -0.2506000      0.6459000
  1 1 1     -10    7   24 o    6.252000      0.3828000       6.364000 0.4226000       6.140000      0.6384000      0.2236000      0.7657000
  1 1 1     -10    7   25 f    2.498000      0.6009000       2.173000 0.8060000       2.822000      0.8913000     -0.6485000       1.202000
  1 1 1     -10    7   26 o    3.415000      0.5609000       3.718000 0.6886000       3.111000      0.8856000      0.6069000       1.122000
  1 1 1     -10    7   27 o    8.834000      0.3097000       8.852000 0.4147000       8.816000      0.4600000      0.3658000E-01  0.6194000
  1 1 1     -10    7   28 o    5.203000      0.6241000       5.078000 0.7542000       5.329000      0.9946000     -0.2508000       1.248000
  1 1 1     -10    7   29 o    4.671000      0.4737000       4.248000 0.6578000       5.094000      0.6817000     -0.8460000      0.9473000
  1 1 1     -10    7   30 o    5.772000      0.4282000       5.482000 0.5607000       6.061000      0.6474000     -0.5784000      0.8565000
  1 1 1     -10    7   31 o    3.499000      0.7407000       3.905000 1.058000       3.093000       1.037000      0.8116000       1.481000
  1 1 1     -10    7   32 o    2.312000      0.6028000       2.722000 0.8809000       1.901000      0.8230000      0.8207000       1.206000
  1 1 1     -10    7   33 o    4.235000      0.5424000       4.711000 0.6646000       3.759000      0.8575000      0.9525000       1.085000
  1 1 1     -10    7   34 o    3.261000      0.6195000       3.124000 0.8879000       3.397000      0.8643000     -0.2733000       1.239000
  1 1 1     -10    8    1 o    1.340000      0.3798000       1.375000 0.5398000       1.305000      0.5345000      0.7040000E-01  0.7596000
  1 1 1     -10    8    2 o    5.645000      0.1923000       5.865000 0.2685000       5.426000      0.2755000      0.4387000      0.3847000
  1 1 1     -10    8    3 o    5.565000      0.1990000       5.840000 0.2804000       5.291000      0.2826000      0.5494000      0.3981000
  1 1 1     -10    8    4 o    7.970000      0.1877000       7.951000 0.2657000       7.989000      0.2652000     -0.3802000E-01  0.3754000
  1 1 1     -10    8    5 o    6.739000      0.2004000       6.757000 0.2846000       6.721000      0.2821000      0.3642000E-01  0.4008000
  1 1 1     -10    8    6 o    3.740000      0.2902000       3.976000 0.3874000       3.504000      0.4322000      0.4713000      0.5804000
  1 1 1     -10    8    7 o    10.23000      0.2050000       10.71000 0.2910000       9.756000      0.2888000      0.9550000      0.4100000
  1 1 1     -10    8    8 o    8.749000      0.2795000       8.895000 0.3775000       8.604000      0.4121000      0.2907000      0.5589000
  1 1 1     -10    8    9 o    8.317000      0.2860000       8.281000 0.3796000       8.353000      0.4278000     -0.7221000E-01  0.5720000
  1 1 1     -10    8   10 o    2.950000      0.4352000       3.425000 0.4883000       2.474000      0.7205000      0.9503000      0.8704000
  1 1 1     -10    8   11 o    10.23000      0.2200000       10.32000 0.3151000       10.14000      0.3071000      0.1812000      0.4400000
  1 1 1     -10    8   12 o    6.512000      0.3572000       6.597000 0.5608000       6.426000      0.4426000      0.1714000      0.7145000
  1 1 1     -10    8   13 o    3.999000      0.4182000       3.839000 0.5461000       4.159000      0.6335000     -0.3196000      0.8364000
  1 1 1     -10    8   14 o    6.880000      0.2511000       6.792000 0.3572000       6.969000      0.3531000     -0.1768000      0.5022000
  1 1 1     -10    8   15 o    10.02000      0.2372000       9.984000 0.3356000       10.06000      0.3353000     -0.7182000E-01  0.4744000
  1 1 1     -10    8   16 o    2.825000      0.4741000       3.003000 0.6134000       2.647000      0.7230000      0.3562000      0.9482000
  1 1 1     -10    8   17 o    2.547000      0.4874000       2.530000 0.6484000       2.565000      0.7279000     -0.3430000E-01  0.9748000
  1 1 1     -10    8   18 o    7.951000      0.2485000       8.015000 0.3210000       7.887000      0.3795000      0.1280000      0.4971000
  1 1 1     -10    8   19 o    7.532000      0.2575000       7.426000 0.3476000       7.637000      0.3798000     -0.2105000      0.5149000
  1 1 1     -10    8   20 o    8.040000      0.2507000       8.172000 0.3340000       7.909000      0.3741000      0.2629000      0.5015000
  1 1 1     -10    8   21 o    5.471000      0.3285000       5.387000 0.4306000       5.555000      0.4963000     -0.1679000      0.6570000
  1 1 1     -10    8   22 o    3.250000      0.5065000       2.770000 0.7393000       3.730000      0.6927000     -0.9596000       1.013000
  1 1 1     -10    8   23 o    1.706000      0.5147000       1.751000 0.7227000       1.660000      0.7330000      0.9144000E-01   1.029000
  1 1 1     -10    8   24 o    5.126000      0.4939000       5.126000 0.4939000                  ?              ?              ?              ?
  1 1 1     -10    8   25 o    10.13000      0.2752000       10.05000 0.3618000       10.20000      0.4148000     -0.1496000      0.5504000
  1 1 1     -10    8   26 o    4.562000      0.6910000                  ?       ?   4.562000      0.6910000                  ?              ?
  1 1 1     -10    8   27 o    4.216000      0.6888000       5.093000 0.7497000       3.339000       1.156000       1.755000       1.378000
  1 1 1     -10    8   28 o    2.972000      0.6100000       2.555000 0.8520000       3.388000      0.8733000     -0.8327000       1.220000
  1 1 1     -10    8   29 o    4.001000      0.5804000       4.557000 0.6478000       3.444000      0.9632000       1.113000       1.161000
  1 1 1     -10    8   30 o    4.542000      0.6963000       4.791000 0.9247000       4.292000       1.041000      0.4996000       1.393000
  1 1 1     -10    8   31 o    2.702000      0.6614000       2.699000 0.8963000       2.704000      0.9729000     -0.5103000E-02   1.323000
  1 1 1     -10    8   32 o    4.017000      0.5586000       2.798000 0.9019000       5.236000      0.6593000      -2.438000       1.117000
  1 1 1     -10    8   33 o    7.216000      0.3444000       7.315000 0.4776000       7.116000      0.4962000      0.1987000      0.6887000
  1 1 1     -10    8   34 o    2.581000      0.6399000       2.311000 0.8988000       2.851000      0.9111000     -0.5395000       1.280000
  1 1 1     -10    9    1 o    7.283000      0.1775000       7.252000 0.2541000       7.313000      0.2479000     -0.6072000E-01  0.3550000
  1 1 1     -10    9    2 o    6.651000      0.1839000       6.592000 0.2601000       6.709000      0.2600000     -0.1168000      0.3678000
  1 1 1     -10    9    3 o    9.950000      0.1892000       9.881000 0.2687000       10.02000      0.2663000     -0.1389000      0.3783000
  1 1 1     -10    9    4 o    2.115000      0.4080000       2.368000 0.5500000       1.862000      0.6027000      0.5061000      0.8159000
  1 1 1     -10    9    5 o    5.762000      0.2143000       5.771000 0.3059000       5.752000      0.3001000      0.1847000E-01  0.4285000
  1 1 1     -10    9    6 o    12.82000      0.3035000       12.78000 0.4192000       12.86000      0.4389000     -0.7735000E-01  0.6069000
  1 1 1     -10    9    7 o    5.917000      0.2975000       5.999000 0.3850000       5.835000      0.4536000      0.1646000      0.5950000
  1 1 1     -10    9    8 o    4.846000      0.2651000       5.064000 0.3560000       4.628000      0.3931000      0.4357000      0.5303000
  1 1 1     -10    9    9 o    6.910000      0.2205000       7.255000 0.3087000       6.565000      0.3148000      0.6895000      0.4409000
  1 1 1     -10    9   10 o    7.828000      0.3208000       8.263000 0.4932000       7.394000      0.4105000      0.8690000      0.6417000
  1 1 1     -10    9   11 o    7.355000      0.3299000       7.320000 0.5191000       7.389000      0.4072000     -0.6959000E-01  0.6597000
  1 1 1     -10    9   12 o    7.570000      0.2362000       7.337000 0.3466000       7.802000      0.3211000     -0.4657000      0.4725000
  1 1 1     -10    9   13 o    8.849000      0.2327000       8.662000 0.3320000       9.036000      0.3262000     -0.3735000      0.4655000
  1 1 1     -10    9   14 o    2.809000      0.4819000       2.922000 0.6585000       2.696000      0.7037000      0.2261000      0.9637000
  1 1 1     -10    9   15 o    12.18000      0.2418000       12.40000 0.3416000       11.95000      0.3423000      0.4512000      0.4836000
  1 1 1     -10    9   16 o    6.872000      0.2651000       6.954000 0.3695000       6.791000      0.3803000      0.1626000      0.5302000
  1 1 1     -10    9   17 o    7.809000      0.2568000       7.579000 0.3621000       8.040000      0.3644000     -0.4610000      0.5137000
  1 1 1     -10    9   18 o    3.330000      0.4822000       3.502000 0.6378000       3.158000      0.7234000      0.3449000      0.9644000
  1 1 1     -10    9   19 o    4.933000      0.3446000       4.987000 0.4268000       4.880000      0.5412000      0.1071000      0.6892000
  1 1 1     -10    9   20 o    5.384000      0.3235000       5.517000 0.4151000       5.251000      0.4962000      0.2660000      0.6470000
  1 1 1     -10    9   21 o    4.490000      0.3619000       4.230000 0.4876000       4.750000      0.5350000     -0.5196000      0.7239000
  1 1 1     -10    9   22 o    4.113000      0.4360000       3.656000 0.6181000       4.569000      0.6150000     -0.9132000      0.8719000
  1 1 1     -10    9   23 o    2.435000      0.5660000       2.708000 0.7530000       2.162000      0.8452000      0.5465000       1.132000
  1 1 1     -10    9   24 o    9.258000      0.3297000       9.168000 0.3669000       9.348000      0.5480000     -0.1800000      0.6595000
  1 1 1     -10    9   25 o    6.911000      0.4641000       7.513000 0.5329000       6.309000      0.7599000       1.204000      0.9281000
  1 1 1     -10    9   26 o    5.828000      0.8762000                  ?       ?   5.828000      0.8762000                  ?              ?
  1 1 1     -10    9   27 o    6.564000      0.3603000       6.577000 0.4597000       6.551000      0.5549000      0.2627000E-01  0.7206000
  1 1 1     -10    9   28 o    3.078000      0.5821000       3.422000 0.6997000       2.734000      0.9306000      0.6881000       1.164000
  1 1 1     -10    9   29 f    3.640000      0.7724000       3.849000 1.028000       3.430000       1.154000      0.4192000       1.545000
  1 1 1     -10    9   30 o    2.627000      0.6149000       1.817000 0.7863000       3.438000      0.9456000      -1.621000       1.230000
  1 1 1     -10    9   31 o    3.066000      0.6199000       3.691000 0.8313000       2.440000      0.9197000       1.250000       1.240000
  1 1 1     -10    9   32 o    5.852000      0.4126000       6.188000 0.5498000       5.516000      0.6153000      0.6719000      0.8252000
  1 1 1     -10    9   33 o    5.508000      0.4159000       5.889000 0.5643000       5.127000      0.6110000      0.7619000      0.8317000
  1 1 1     -10   10    1 o    4.725000      0.2097000       4.760000 0.2989000       4.690000      0.2941000      0.6976000E-01  0.4194000
  1 1 1     -10   10    2 o    8.956000      0.1851000       8.988000 0.2662000       8.924000      0.2573000      0.6360000E-01  0.3702000
  1 1 1     -10   10    3 o    10.98000      0.1988000       10.90000 0.2827000       11.06000      0.2796000     -0.1571000      0.3976000
  1 1 1     -10   10    4 o    10.31000      0.2696000       10.32000 0.3729000       10.30000      0.3894000      0.2000000E-01  0.5391000
  1 1 1     -10   10    5 o    6.459000      0.2761000       6.008000 0.3715000       6.910000      0.4085000     -0.9019000      0.5521000
  1 1 1     -10   10    6 o    2.586000      0.4093000       2.781000 0.5573000       2.390000      0.5997000      0.3903000      0.8186000
  1 1 1     -10   10    7 o    8.520000      0.2066000       8.480000 0.2932000       8.560000      0.2913000     -0.8034000E-01  0.4133000
  1 1 1     -10   10    8 o    9.627000      0.2704000       9.665000 0.4569000       9.590000      0.2894000      0.7533000E-01  0.5408000
  1 1 1     -10   10    9 f    4.186000      0.4431000       4.162000 0.7073000       4.210000      0.5338000     -0.4768000E-01  0.8862000
  1 1 1     -10   10   10 o    5.392000      0.2853000       5.874000 0.3789000       4.910000      0.4266000      0.9639000      0.5706000
  1 1 1     -10   10   11 o    8.191000      0.2261000       7.941000 0.3199000       8.441000      0.3197000     -0.5000000      0.4523000
  1 1 1     -10   10   12 o    10.22000      0.2297000       10.12000 0.3236000       10.32000      0.3260000     -0.1980000      0.4593000
  1 1 1     -10   10   13 o    5.624000      0.2793000       5.787000 0.3872000       5.461000      0.4027000      0.3266000      0.5586000
  1 1 1     -10   10   14 o    6.704000      0.2596000       6.794000 0.3590000       6.613000      0.3751000      0.1816000      0.5193000
  1 1 1     -10   10   15 f    3.542000      0.4346000       3.833000 0.5316000       3.250000      0.6877000      0.5821000      0.8692000
  1 1 1     -10   10   16 o    8.601000      0.2453000       8.721000 0.3377000       8.481000      0.3558000      0.2404000      0.4906000
  1 1 1     -10   10   17 o    4.086000      0.4012000       3.908000 0.5804000       4.264000      0.5542000     -0.3558000      0.8025000
  1 1 1     -10   10   18 o    6.092000      0.2995000       6.159000 0.4171000       6.024000      0.4299000      0.1346000      0.5990000
  1 1 1     -10   10   19 o    6.768000      0.2846000       6.457000 0.4060000       7.080000      0.3989000     -0.6232000      0.5692000
  1 1 1     -10   10   20 o    9.105000      0.2667000       9.259000 0.3696000       8.952000      0.3846000      0.3075000      0.5334000
  1 1 1     -10   10   21 o    7.591000      0.2769000       7.880000 0.3521000       7.302000      0.4274000      0.5786000      0.5537000
  1 1 1     -10   10   22 o    9.929000      0.2590000       9.951000 0.3447000       9.906000      0.3866000      0.4500000E-01  0.5180000
  1 1 1     -10   10   23 o    4.476000      0.4277000       3.512000 0.6502000       5.440000      0.5559000      -1.928000      0.8555000
  1 1 1     -10   10   24 o    5.806000      0.5083000       5.512000 0.6566000       6.101000      0.7760000     -0.5890000       1.017000
  1 1 1     -10   10   25 f    4.098000      0.6584000       4.812000 0.6676000       3.383000       1.135000       1.429000       1.317000
  1 1 1     -10   10   26 o    8.026000      0.3221000       7.914000 0.4263000       8.137000      0.4829000     -0.2229000      0.6442000
  1 1 1     -10   10   27 o    4.943000      0.6020000       4.560000 0.8796000       5.326000      0.8220000     -0.7661000       1.204000
  1 1 1     -10   10   28 o    3.724000      0.7927000       3.858000 1.100000       3.589000       1.141000      0.2691000       1.585000
  1 1 1     -10   10   29 o    6.842000      0.3716000       7.057000 0.4633000       6.626000      0.5811000      0.4309000      0.7432000
  1 1 1     -10   10   30 o    3.325000      0.6604000       3.351000 0.8795000       3.298000      0.9853000      0.5273000E-01   1.321000
  1 1 1     -10   10   31 o    3.136000      0.6070000       2.643000 0.8716000       3.629000      0.8452000     -0.9862000       1.214000
  1 1 1     -10   10   32 o    4.942000      0.4757000       5.166000 0.6279000       4.718000      0.7147000      0.4482000      0.9513000
  1 1 1     -10   10   33 o    2.320000      0.6189000       2.771000 0.9365000       1.868000      0.8095000      0.9039000       1.238000
  1 1 1     -10   11    1 o    4.595000      0.2189000       4.624000 0.3108000       4.566000      0.3082000      0.5816000E-01  0.4377000
  1 1 1     -10   11    2 o    8.519000      0.2485000       8.688000 0.3455000       8.351000      0.3573000      0.3374000      0.4970000
  1 1 1     -10   11    3 o    2.981000      0.4509000       2.564000 0.6575000       3.397000      0.6171000     -0.8327000      0.9017000
  1 1 1     -10   11    4 o    2.320000      0.4068000       2.024000 0.6112000       2.615000      0.5370000     -0.5916000      0.8136000
  1 1 1     -10   11    5 o    10.19000      0.2014000       10.11000 0.2841000       10.27000      0.2855000     -0.1575000      0.4028000
  1 1 1     -10   11    6 f    11.51000      0.2719000       11.97000 0.4627000       11.05000      0.2856000      0.9252000      0.5437000
  1 1 1     -10   11    7 o    7.613000      0.3121000       7.465000 0.4801000       7.761000      0.3990000     -0.2963000      0.6242000
  1 1 1     -10   11    8 o    8.189000      0.2141000       7.992000 0.3038000       8.386000      0.3017000     -0.3944000      0.4282000
  1 1 1     -10   11    9 o    5.343000      0.2659000       5.228000 0.3914000       5.458000      0.3600000     -0.2307000      0.5318000
  1 1 1     -10   11   10 o    6.228000      0.2436000       6.200000 0.3466000       6.257000      0.3423000     -0.5749000E-01  0.4871000
  1 1 1     -10   11   11 o    4.009000      0.3270000       3.968000 0.4686000       4.050000      0.4562000     -0.8207000E-01  0.6540000
  1 1 1     -10   11   12 o    8.776000      0.2287000       8.472000 0.3254000       9.080000      0.3215000     -0.6084000      0.4574000
  1 1 1     -10   11   13 o    5.933000      0.2642000       5.996000 0.3620000       5.870000      0.3849000      0.1253000      0.5284000
  1 1 1     -10   11   14 o    7.451000      0.2471000       7.743000 0.3377000       7.159000      0.3607000      0.5843000      0.4941000
  1 1 1     -10   11   15 o    4.446000      0.3383000       4.484000 0.4691000       4.408000      0.4877000      0.7625000E-01  0.6766000
  1 1 1     -10   11   16 o    8.544000      0.2493000       8.446000 0.3551000       8.642000      0.3500000     -0.1955000      0.4986000
  1 1 1     -10   11   17 o    8.236000      0.2591000       8.145000 0.3719000       8.328000      0.3608000     -0.1832000      0.5182000
  1 1 1     -10   11   18 o    3.219000      0.4904000       3.021000 0.7292000       3.417000      0.6558000     -0.3951000      0.9807000
  1 1 1     -10   11   19 o    5.840000      0.3330000       5.622000 0.4833000       6.057000      0.4581000     -0.4352000      0.6659000
  1 1 1     -10   11   20 o    7.628000      0.2923000       7.401000 0.4169000       7.856000      0.4099000     -0.4552000      0.5847000
  1 1 1     -10   11   21 o    8.287000      0.2845000       8.466000 0.4004000       8.109000      0.4043000      0.3572000      0.5690000
  1 1 1     -10   11   22 o    1.764000      0.5384000       1.509000 0.7000000       2.018000      0.8182000     -0.5092000       1.077000
  1 1 1     -10   11   23 o    6.069000      0.4810000       6.059000 0.5336000       6.080000      0.8004000     -0.2022000E-01  0.9620000
  1 1 1     -10   11   24 o    5.160000      0.3992000       5.418000 0.4707000       4.903000      0.6449000      0.5151000      0.7984000
  1 1 1     -10   11   25 o    2.719000      0.6076000       2.863000 0.8085000       2.576000      0.9072000      0.2870000       1.215000
  1 1 1     -10   11   26 o    3.936000      0.7328000       3.554000 1.020000       4.319000       1.052000     -0.7645000       1.466000
  1 1 1     -10   11   27 o    4.966000      0.5512000       4.919000 0.5712000       5.013000      0.9428000     -0.9441000E-01   1.102000
  1 1 1     -10   11   28 o    2.542000      0.6161000       3.018000 0.8498000       2.066000      0.8924000      0.9521000       1.232000
  1 1 1     -10   11   29 o    2.742000      0.6401000       2.312000 0.8590000       3.172000      0.9492000     -0.8600000       1.280000
  1 1 1     -10   11   30 o    4.404000      0.5394000       4.170000 0.7265000       4.638000      0.7975000     -0.4681000       1.079000
  1 1 1     -10   11   31 o    4.292000      0.5267000       4.058000 0.7906000       4.527000      0.6961000     -0.4692000       1.053000
  1 1 1     -10   11   32 f    2.620000      0.6478000       2.544000 0.9042000       2.696000      0.9278000     -0.1513000       1.296000
  1 1 1     -10   12    1 o    6.883000      0.2562000       6.690000 0.3593000       7.075000      0.3652000     -0.3847000      0.5123000
  1 1 1     -10   12    2 o    8.156000      0.1866000       8.054000 0.2687000       8.258000      0.2589000     -0.2041000      0.3732000
  1 1 1     -10   12    3 o    9.074000      0.1906000       9.161000 0.2723000       8.986000      0.2668000      0.1743000      0.3812000
  1 1 1     -10   12    4 o    8.024000      0.2976000       8.428000 0.4416000       7.619000      0.3989000      0.8091000      0.5951000
  1 1 1     -10   12    5 o    1.951000      0.5343000       1.854000 0.7641000       2.049000      0.7470000     -0.1946000       1.069000
  1 1 1     -10   12    6 o    4.098000      0.2871000       4.146000 0.3930000       4.051000      0.4186000      0.9440000E-01  0.5741000
  1 1 1     -10   12    7 o    10.42000      0.2123000       10.22000 0.3022000       10.62000      0.2983000     -0.4006000      0.4246000
  1 1 1     -10   12    8 o    4.877000      0.2762000       4.677000 0.4069000       5.077000      0.3735000     -0.3995000      0.5524000
  1 1 1     -10   12    9 o    11.39000      0.2230000       11.48000 0.3207000       11.29000      0.3099000      0.1841000      0.4460000
  1 1 1     -10   12   10 o    7.653000      0.2249000       7.331000 0.3250000       7.975000      0.3110000     -0.6440000      0.4498000
  1 1 1     -10   12   11 o    7.389000      0.2273000       7.271000 0.3196000       7.507000      0.3233000     -0.2359000      0.4546000
  1 1 1     -10   12   12 o    12.47000      0.2359000       12.42000 0.3336000       12.53000      0.3337000     -0.1072000      0.4719000
  1 1 1     -10   12   13 o    6.954000      0.2480000       7.177000 0.3496000       6.732000      0.3517000      0.4443000      0.4959000
  1 1 1     -10   12   14 o    1.920000      0.5021000       1.715000 0.6873000       2.124000      0.7322000     -0.4090000       1.004000
  1 1 1     -10   12   15 o    4.214000      0.3570000       4.153000 0.5077000       4.275000      0.5019000     -0.1219000      0.7139000
  1 1 1     -10   12   16 o    6.877000      0.2723000       6.817000 0.3833000       6.937000      0.3868000     -0.1202000      0.5445000
  1 1 1     -10   12   17 o    11.34000      0.2509000       11.28000 0.3558000       11.41000      0.3538000     -0.1284000      0.5018000
  1 1 1     -10   12   18 o    7.125000      0.2892000       7.604000 0.3911000       6.646000      0.4262000      0.9579000      0.5785000
  1 1 1     -10   12   19 o    5.476000      0.3584000       5.888000 0.4606000       5.064000      0.5492000      0.8248000      0.7168000
  1 1 1     -10   12   20 o    2.445000      0.5904000       2.418000 0.8101000       2.472000      0.8590000     -0.5425000E-01   1.181000
  1 1 1     -10   12   21 o    1.961000      0.5695000       2.138000 0.7822000       1.784000      0.8280000      0.3538000       1.139000
  1 1 1     -10   12   22 f    4.529000      0.5510000       4.256000 0.7006000       4.802000      0.8506000     -0.5463000       1.102000
  1 1 1     -10   12   23 o    3.586000      0.5823000       3.489000 0.8121000       3.684000      0.8347000     -0.1951000       1.165000
  1 1 1     -10   12   24 o    4.218000      0.5209000       3.625000 0.8002000       4.811000      0.6672000      -1.186000       1.042000
  1 1 1     -10   12   25 o    2.728000      0.9896000       2.728000 0.9896000                  ?              ?              ?              ?
  1 1 1     -10   12   26 o    5.796000      0.4101000       5.599000 0.5277000       5.993000      0.6279000     -0.3938000      0.8202000
  1 1 1     -10   12   27 o    3.392000      0.5674000       2.514000 0.8047000       4.270000      0.8003000      -1.756000       1.135000
  1 1 1     -10   12   28 o    2.469000      0.6444000       2.503000 0.8593000       2.435000      0.9605000      0.6757000E-01   1.289000
  1 1 1     -10   12   29 o    2.635000      0.6064000       3.026000 0.8174000       2.245000      0.8961000      0.7809000       1.213000
  1 1 1     -10   12   30 o    2.067000      0.6070000       1.692000 0.7627000       2.442000      0.9444000     -0.7503000       1.214000
  1 1 1     -10   12   31 o    6.128000      0.3979000       7.074000 0.4815000       5.182000      0.6335000       1.892000      0.7957000
  1 1 1     -10   13    1 f    10.31000      0.1905000       10.31000 0.2713000       10.30000      0.2676000      0.6330000E-02  0.3811000
  1 1 1     -10   13    2 o    6.139000      0.3040000       6.160000 0.4566000       6.117000      0.4015000      0.4339000E-01  0.6080000
  1 1 1     -10   13    3 o    4.001000      0.4246000       3.734000 0.6875000       4.268000      0.4984000     -0.5331000      0.8492000
  1 1 1     -10   13    4 o    11.70000      0.2119000       11.56000 0.3022000       11.84000      0.2972000     -0.2782000      0.4238000
  1 1 1     -10   13    5 o    14.02000      0.2312000       14.12000 0.3317000       13.93000      0.3221000      0.1901000      0.4624000
  1 1 1     -10   13    6 o    15.96000      0.2526000       16.15000 0.3625000       15.78000      0.3518000      0.3774000      0.5051000
  1 1 1     -10   13    7 o    11.37000      0.2195000       11.51000 0.3165000       11.23000      0.3043000      0.2811000      0.4390000
  1 1 1     -10   13    8 o    12.95000      0.2302000       13.12000 0.3308000       12.79000      0.3200000      0.3268000      0.4603000
  1 1 1     -10   13    9 o    11.84000      0.2232000       11.95000 0.3183000       11.73000      0.3130000      0.2182000      0.4464000
  1 1 1     -10   13   10 o    7.464000      0.2304000       7.948000 0.3193000       6.980000      0.3321000      0.9672000      0.4607000
  1 1 1     -10   13   11 o    5.853000      0.2646000       6.069000 0.3758000       5.637000      0.3726000      0.4321000      0.5292000
  1 1 1     -10   13   12 o    7.159000      0.2361000       6.993000 0.3343000       7.325000      0.3334000     -0.3321000      0.4721000
  1 1 1     -10   13   13 o    7.743000      0.2399000       7.663000 0.3381000       7.823000      0.3406000     -0.1604000      0.4799000
  1 1 1     -10   13   14 o    6.605000      0.2595000       6.638000 0.3628000       6.571000      0.3710000      0.6710000E-01  0.5189000
  1 1 1     -10   13   15 o    3.592000      0.4303000       3.289000 0.6587000       3.896000      0.5538000     -0.6074000      0.8606000
  1 1 1     -10   13   16 o    6.576000      0.2796000       6.532000 0.3904000       6.621000      0.4003000     -0.8921000E-01  0.5591000
  1 1 1     -10   13   17 f    9.206000      0.2542000       9.169000 0.3574000       9.242000      0.3617000     -0.7300000E-01  0.5085000
  1 1 1     -10   13   18 o    8.810000      0.2643000       8.723000 0.3744000       8.897000      0.3731000     -0.1740000      0.5286000
  1 1 1     -10   13   19 o    9.913000      0.2688000       9.963000 0.3818000       9.862000      0.3784000      0.1019000      0.5376000
  1 1 1     -10   13   20 o    6.223000      0.4220000       5.925000 0.5547000       6.522000      0.6361000     -0.5972000      0.8440000
  1 1 1     -10   13   21 o    4.067000      0.5177000       4.257000 0.7275000       3.877000      0.7369000      0.3796000       1.035000
  1 1 1     -10   13   22 o    4.917000      0.4295000       4.364000 0.6601000       5.469000      0.5498000      -1.105000      0.8591000
  1 1 1     -10   13   23 o    7.907000      0.5371000       8.510000 0.8210000       7.305000      0.6926000       1.205000       1.074000
  1 1 1     -10   13   24 o    7.532000      0.5767000       7.704000 0.9265000       7.360000      0.6868000      0.3441000       1.153000
  1 1 1     -10   13   25 o    7.256000      0.5066000       7.256000 0.5066000                  ?              ?              ?              ?
  1 1 1     -10   13   26 o    1.996000      0.6116000       1.984000 0.8527000       2.008000      0.8769000     -0.2383000E-01   1.223000
  1 1 1     -10   13   27 o    1.794000      0.8068000                  ?       ?   1.794000      0.8068000                  ?              ?
  1 1 1     -10   13   28 o    2.823000      0.6208000       3.072000 0.8438000       2.574000      0.9107000      0.4976000       1.242000
  1 1 1     -10   13   29 o    3.396000      0.6060000       3.488000 0.7655000       3.304000      0.9395000      0.1839000       1.212000
  1 1 1     -10   13   30 f    2.819000      0.6312000       3.068000 0.8609000       2.571000      0.9232000      0.4970000       1.262000
  1 1 1     -10   13   31 o    2.651000      0.6570000       2.419000 0.9110000       2.883000      0.9470000     -0.4637000       1.314000
  1 1 1     -10   14    1 o    10.01000      0.1963000       10.11000 0.2822000       9.907000      0.2730000      0.2020000      0.3926000
  1 1 1     -10   14    2 o    6.972000      0.2131000       6.388000 0.3240000       7.556000      0.2768000      -1.169000      0.4261000
  1 1 1     -10   14    3 f    5.983000      0.2257000       5.671000 0.3392000       6.296000      0.2979000     -0.6249000      0.4514000
  1 1 1     -10   14    4 o    13.82000      0.2296000       13.35000 0.3233000       14.30000      0.3261000     -0.9525000      0.4592000
  1 1 1     -10   14    5 o    14.90000      0.2392000       14.82000 0.3410000       14.98000      0.3356000     -0.1614000      0.4785000
  1 1 1     -10   14    6 o    9.670000      0.2072000       9.688000 0.2968000       9.652000      0.2893000      0.3515000E-01  0.4144000
  1 1 1     -10   14    7 o    4.010000      0.3139000       4.056000 0.4549000       3.964000      0.4328000      0.9234000E-01  0.6279000
  1 1 1     -10   14    8 o    6.259000      0.2387000       6.189000 0.3466000       6.328000      0.3283000     -0.1391000      0.4774000
  1 1 1     -10   14    9 o    8.721000      0.2235000       8.590000 0.3225000       8.852000      0.3096000     -0.2615000      0.4470000
  1 1 1     -10   14   10 o    6.543000      0.2635000       6.889000 0.3938000       6.197000      0.3503000      0.6926000      0.5270000
  1 1 1     -10   14   11 o    5.950000      0.2609000       5.853000 0.3692000       6.047000      0.3687000     -0.1940000      0.5218000
  1 1 1     -10   14   12 o    9.913000      0.2307000       9.937000 0.3314000       9.888000      0.3210000      0.4943000E-01  0.4614000
  1 1 1     -10   14   13 o    9.750000      0.2368000       9.943000 0.3321000       9.558000      0.3376000      0.3848000      0.4735000
  1 1 1     -10   14   14 o    6.042000      0.2858000       6.076000 0.3912000       6.008000      0.4166000      0.6834000E-01  0.5715000
  1 1 1     -10   14   15 o    1.588000      0.4871000       1.407000 0.6369000       1.769000      0.7371000     -0.3616000      0.9741000
  1 1 1     -10   14   16 f    8.185000      0.2670000       8.233000 0.3711000       8.137000      0.3841000      0.9561000E-01  0.5341000
  1 1 1     -10   14   17 o    11.32000      0.2565000       11.41000 0.3673000       11.24000      0.3582000      0.1674000      0.5130000
  1 1 1     -10   14   18 o    6.270000      0.4292000       6.843000 0.4801000       5.698000      0.7116000       1.145000      0.8584000
  1 1 1     -10   14   19 o    7.940000      0.3626000       7.676000 0.4654000       8.204000      0.5561000     -0.5288000      0.7252000
  1 1 1     -10   14   20 o    2.762000      0.5492000       3.250000 0.7303000       2.274000      0.8205000      0.9760000       1.098000
  1 1 1     -10   14   21 o    3.209000       1.262000       3.209000 1.262000                  ?              ?              ?              ?
  1 1 1     -10   14   22 o    2.812000      0.7853000       2.747000 1.184000       2.878000       1.032000     -0.1313000       1.571000
  1 1 1     -10   14   23 o    3.153000      0.5906000       3.752000 0.7484000       2.555000      0.9138000       1.198000       1.181000
  1 1 1     -10   14   24 o    3.784000      0.5782000       4.523000 0.6743000       3.045000      0.9395000       1.478000       1.156000
  1 1 1     -10   14   25 o    4.546000      0.5056000       4.783000 0.7201000       4.308000      0.7099000      0.4751000       1.011000
  1 1 1     -10   14   26 o    3.278000      0.6225000       3.582000 0.8439000       2.974000      0.9154000      0.6080000       1.245000
  1 1 1     -10   14   27 o    2.784000      0.9567000                  ?       ?   2.784000      0.9567000                  ?              ?
  1 1 1     -10   14   28 o    2.714000      0.6876000       1.805000 0.8439000       3.623000       1.086000      -1.818000       1.375000
  1 1 1     -10   14   29 o    3.528000      0.6250000       3.379000 0.8311000       3.677000      0.9337000     -0.2984000       1.250000
  1 1 1     -10   14   30 o    2.809000      0.6362000       3.258000 0.8895000       2.360000      0.9098000      0.8980000       1.272000
  1 1 1     -10   15    1 o    6.520000      0.2166000       6.472000 0.3256000       6.567000      0.2856000     -0.9524000E-01  0.4331000
  1 1 1     -10   15    2 o    6.227000      0.2221000       6.146000 0.3285000       6.307000      0.2989000     -0.1608000      0.4441000
  1 1 1     -10   15    3 o    6.661000      0.2222000       6.256000 0.3309000       7.066000      0.2966000     -0.8101000      0.4444000
  1 1 1     -10   15    4 f    5.762000      0.2511000       5.563000 0.3774000       5.961000      0.3314000     -0.3984000      0.5023000
  1 1 1     -10   15    5 o    8.768000      0.2112000       8.965000 0.3055000       8.571000      0.2918000      0.3944000      0.4225000
  1 1 1     -10   15    6 o    4.600000      0.2815000       4.308000 0.4114000       4.892000      0.3844000     -0.5832000      0.5630000
  1 1 1     -10   15    7 o    4.224000      0.3105000       4.028000 0.4641000       4.419000      0.4126000     -0.3910000      0.6209000
  1 1 1     -10   15    8 o    9.092000      0.2158000       9.193000 0.3118000       8.992000      0.2983000      0.2014000      0.4316000
  1 1 1     -10   15    9 o    5.022000      0.2839000       5.037000 0.4007000       5.008000      0.4024000      0.2839000E-01  0.5679000
  1 1 1     -10   15   10 o    9.341000      0.2282000       8.852000 0.3269000       9.831000      0.3183000     -0.9790000      0.4563000
  1 1 1     -10   15   11 o    7.015000      0.2498000       6.844000 0.3587000       7.186000      0.3479000     -0.3418000      0.4997000
  1 1 1     -10   15   12 o    4.177000      0.3645000       3.784000 0.5571000       4.570000      0.4703000     -0.7856000      0.7291000
  1 1 1     -10   15   13 f    6.832000      0.2644000       7.068000 0.3686000       6.595000      0.3792000      0.4724000      0.5289000
  1 1 1     -10   15   14 o    2.042000      0.5284000       2.137000 0.7559000       1.947000      0.7385000      0.1892000       1.057000
  1 1 1     -10   15   15 o    1.654000      0.5002000       1.731000 0.7208000       1.577000      0.6938000      0.1539000       1.000000
  1 1 1     -10   15   16 o    10.39000      0.3303000       10.53000 0.4354000       10.24000      0.4969000      0.2820000      0.6606000
  1 1 1     -10   15   17 o    6.287000      0.3981000       6.326000 0.5191000       6.247000      0.6037000      0.7913000E-01  0.7962000
  1 1 1     -10   15   18 o    1.743000      0.5218000       1.907000 0.7673000       1.578000      0.7074000      0.3289000       1.044000
  1 1 1     -10   15   19 o    5.168000      0.3815000       4.932000 0.5350000       5.405000      0.5441000     -0.4725000      0.7631000
  1 1 1     -10   15   21 o    5.040000      0.7096000       5.179000 1.121000       4.900000      0.8711000      0.2798000       1.419000
  1 1 1     -10   15   22 o    6.508000      0.3555000       6.208000 0.4959000       6.808000      0.5096000     -0.5997000      0.7111000
  1 1 1     -10   15   23 o    2.670000      0.6122000       2.062000 0.8363000       3.279000      0.8943000      -1.217000       1.224000
  1 1 1     -10   15   24 o    3.370000      0.6063000       4.144000 0.7660000       2.597000      0.9400000       1.547000       1.213000
  1 1 1     -10   15   25 o    3.253000      0.6276000       2.626000 0.9160000       3.881000      0.8581000      -1.256000       1.255000
  1 1 1     -10   15   26 o    3.670000      0.6088000       3.803000 0.7909000       3.538000      0.9259000      0.2647000       1.218000
  1 1 1     -10   15   27 o    3.362000      0.6293000       2.848000 0.9103000       3.877000      0.8691000      -1.029000       1.259000
  1 1 1     -10   15   28 o    4.703000      0.5152000       4.107000 0.7726000       5.299000      0.6817000      -1.192000       1.030000
  1 1 1     -10   15   29 f    2.081000      0.6032000       1.789000 0.7851000       2.373000      0.9158000     -0.5839000       1.206000
  1 1 1     -10   16    1 o    4.421000      0.3266000       4.235000 0.5198000       4.606000      0.3955000     -0.3707000      0.6531000
  1 1 1     -10   16    2 f    10.40000      0.2141000       10.50000 0.3134000       10.29000      0.2918000      0.2154000      0.4282000
  1 1 1     -10   16    3 o    1.578000      0.4555000       1.695000 0.6726000       1.460000      0.6146000      0.2353000      0.9111000
  1 1 1     -10   16    4 o    1.803000      0.4821000       1.818000 0.6978000       1.789000      0.6654000      0.2854000E-01  0.9641000
  1 1 1     -10   16    5 o    7.763000      0.2266000       7.754000 0.3363000       7.773000      0.3039000     -0.1873000E-01  0.4533000
  1 1 1     -10   16    6 o    3.642000      0.3754000       4.100000 0.4653000       3.184000      0.5892000      0.9166000      0.7508000
  1 1 1     -10   16    7 o    6.768000      0.2347000       6.524000 0.3398000       7.011000      0.3239000     -0.4865000      0.4694000
  1 1 1     -10   16    8 o    11.33000      0.2242000       11.55000 0.3233000       11.11000      0.3107000      0.4402000      0.4484000
  1 1 1     -10   16    9 o    13.56000      0.2402000       13.51000 0.3461000       13.61000      0.3333000     -0.1006000      0.4805000
  1 1 1     -10   16   10 o    9.092000      0.2280000       8.938000 0.3289000       9.245000      0.3157000     -0.3073000      0.4559000
  1 1 1     -10   16   11 o    10.33000      0.2368000       10.24000 0.3422000       10.42000      0.3275000     -0.1766000      0.4737000
  1 1 1     -10   16   12 o    12.69000      0.2445000       12.45000 0.3477000       12.94000      0.3439000     -0.4960000      0.4891000
  1 1 1     -10   16   13 o    2.324000      0.5360000       2.536000 0.7375000       2.111000      0.7780000      0.4250000       1.072000
  1 1 1     -10   16   14 o    1.787000      0.5434000       1.875000 0.7649000       1.698000      0.7721000      0.1774000       1.087000
  1 1 1     -10   16   15 o    2.492000      0.6171000       2.034000 0.7920000       2.951000      0.9466000     -0.9171000       1.234000
  1 1 1     -10   16   16 o    2.341000      0.5305000       1.745000 0.7242000       2.937000      0.7756000      -1.192000       1.061000
  1 1 1     -10   16   17 f    3.935000      0.4669000       3.928000 0.6317000       3.943000      0.6876000     -0.1485000E-01  0.9337000
  1 1 1     -10   16   18 o    5.824000      0.6034000       6.250000 0.9447000       5.398000      0.7509000      0.8516000       1.207000
  1 1 1     -10   16   19 o    2.338000      0.6920000       2.092000 0.9819000       2.584000      0.9754000     -0.4922000       1.384000
  1 1 1     -10   16   20 o    4.402000      0.4685000       3.724000 0.7411000       5.080000      0.5735000      -1.356000      0.9371000
  1 1 1     -10   16   21 o    3.515000      0.5877000       3.474000 0.7979000       3.556000      0.8629000     -0.8162000E-01   1.175000
  1 1 1     -10   16   22 o    5.654000      0.4031000       5.859000 0.5368000       5.449000      0.6016000      0.4095000      0.8063000
  1 1 1     -10   16   23 o    3.615000      0.5678000       3.649000 0.7858000       3.581000      0.8199000      0.6736000E-01   1.136000
  1 1 1     -10   16   24 o    2.859000      0.6591000       2.735000 0.9071000       2.983000      0.9564000     -0.2484000       1.318000
  1 1 1     -10   16   25 f    3.638000      0.6239000       3.726000 0.8418000       3.550000      0.9211000      0.1758000       1.248000
  1 1 1     -10   16   26 o    2.369000      0.5617000       3.224000 0.8618000       1.513000      0.7208000       1.710000       1.123000
  1 1 1     -10   16   27 f    2.780000      0.6698000       2.856000 0.9115000       2.705000      0.9818000      0.1504000       1.340000
  1 1 1     -10   16   28 o    1.788000      0.5689000       1.626000 0.7615000       1.949000      0.8453000     -0.3226000       1.138000
  1 1 1     -10   17    1 o    2.980000      0.4455000       2.011000 0.7640000       3.948000      0.4583000      -1.938000      0.8910000
  1 1 1     -10   17    2 o    2.614000      0.5020000       3.217000 0.7182000       2.010000      0.7015000       1.207000       1.004000
  1 1 1     -10   17    3 o    4.989000      0.2956000       4.699000 0.4626000       5.279000      0.3681000     -0.5797000      0.5912000
  1 1 1     -10   17    4 o    5.878000      0.2644000       5.789000 0.3875000       5.968000      0.3600000     -0.1784000      0.5289000
  1 1 1     -10   17    5 o    8.494000      0.2306000       8.580000 0.3403000       8.407000      0.3113000      0.1732000      0.4612000
  1 1 1     -10   17    6 o    5.234000      0.2930000       5.321000 0.4420000       5.146000      0.3846000      0.1749000      0.5859000
  1 1 1     -10   17    7 o    4.408000      0.3418000       4.772000 0.4842000       4.045000      0.4826000      0.7268000      0.6837000
  1 1 1     -10   17    8 o    9.013000      0.2334000       8.660000 0.3443000       9.366000      0.3153000     -0.7063000      0.4669000
  1 1 1     -10   17    9 o    3.777000      0.3964000       3.603000 0.5850000       3.951000      0.5352000     -0.3473000      0.7929000
  1 1 1     -10   17   10 o    5.244000      0.2985000       4.874000 0.4457000       5.614000      0.3973000     -0.7393000      0.5971000
  1 1 1     -10   17   11 o    8.826000      0.2373000       9.004000 0.3420000       8.647000      0.3289000      0.3572000      0.4745000
  1 1 1     -10   17   12 o    2.176000      0.5818000       1.683000 0.7320000       2.669000      0.9044000     -0.9862000       1.164000
  1 1 1     -10   17   13 o    6.653000      0.3538000       5.979000 0.4856000       7.327000      0.5147000      -1.348000      0.7077000
  1 1 1     -10   17   14 o    4.125000      0.4155000       4.136000 0.5857000       4.114000      0.5896000      0.2192000E-01  0.8311000
  1 1 1     -10   17   15 o    2.025000      0.5449000       2.263000 0.7815000       1.787000      0.7596000      0.4759000       1.090000
  1 1 1     -10   17   16 o    6.479000      0.5486000       6.655000 0.8504000       6.302000      0.6934000      0.3526000       1.097000
  1 1 1     -10   17   17 o    5.879000      0.6378000       5.513000 1.063000       6.245000      0.7046000     -0.7322000       1.276000
  1 1 1     -10   17   18 o    9.649000      0.2696000       9.759000 0.3861000       9.539000      0.3764000      0.2194000      0.5392000
  1 1 1     -10   17   19 o    5.147000      0.4026000       5.516000 0.5288000       4.778000      0.6073000      0.7377000      0.8052000
  1 1 1     -10   17   20 o    7.651000      0.3245000       7.339000 0.4649000       7.964000      0.4529000     -0.6250000      0.6491000
  1 1 1     -10   17   21 o    6.376000      0.3740000       6.699000 0.4878000       6.053000      0.5670000      0.6458000      0.7480000
  1 1 1     -10   17   22 o    3.542000      0.5889000       3.268000 0.8502000       3.816000      0.8150000     -0.5472000       1.178000
  1 1 1     -10   17   23 o    2.401000      0.6058000       2.848000 0.8802000       1.955000      0.8326000      0.8931000       1.212000
  1 1 1     -10   17   24 o    4.998000      0.4705000       4.962000 0.6521000       5.035000      0.6785000     -0.7247000E-01  0.9411000
  1 1 1     -10   17   25 o    2.858000      0.6483000       2.388000 0.9151000       3.327000      0.9185000     -0.9396000       1.297000
  1 1 1     -10   17   26 o    4.673000      0.7463000       4.673000 0.7463000                  ?              ?              ?              ?
  1 1 1     -10   17   27 o    1.948000      0.5906000       1.545000 0.7269000       2.350000      0.9310000     -0.8049000       1.181000
  1 1 1     -10   18    1 o    1.831000      0.5289000       2.076000 0.8115000       1.587000      0.6787000      0.4893000       1.058000
  1 1 1     -10   18    2 o    10.32000      0.2455000       10.55000 0.3690000       10.08000      0.3240000      0.4693000      0.4910000
  1 1 1     -10   18    3 o    6.380000      0.2907000       6.306000 0.4522000       6.454000      0.3654000     -0.1483000      0.5814000
  1 1 1     -10   18    4 o    8.556000      0.2393000       8.465000 0.3586000       8.648000      0.3169000     -0.1829000      0.4786000
  1 1 1     -10   18    5 o    2.208000      0.5212000       2.624000 0.7642000       1.792000      0.7089000      0.8320000       1.042000
  1 1 1     -10   18    6 o    5.640000      0.2884000       5.852000 0.4221000       5.427000      0.3931000      0.4248000      0.5768000
  1 1 1     -10   18    7 o    7.516000      0.2533000       7.004000 0.3859000       8.028000      0.3281000      -1.024000      0.5066000
  1 1 1     -10   18    8 o    8.562000      0.2459000       8.710000 0.3618000       8.414000      0.3331000      0.2965000      0.4917000
  1 1 1     -10   18    9 o    1.608000      0.4869000       1.566000 0.6926000       1.651000      0.6845000     -0.8562000E-01  0.9738000
  1 1 1     -10   18   10 o    2.003000      0.5687000       1.797000 0.7614000       2.209000      0.8450000     -0.4119000       1.137000
  1 1 1     -10   18   11 o    1.834000      0.5083000       2.297000 0.7773000       1.370000      0.6552000      0.9269000       1.017000
  1 1 1     -10   18   12 o    6.032000      0.3010000       6.294000 0.4228000       5.771000      0.4285000      0.5228000      0.6020000
  1 1 1     -10   18   13 o    3.489000      0.4713000       3.352000 0.7091000       3.626000      0.6211000     -0.2745000      0.9427000
  1 1 1     -10   18   14 o    6.484000      0.5454000       6.291000 0.9077000       6.676000      0.6050000     -0.3858000       1.091000
  1 1 1     -10   18   15 o    6.263000      0.5936000       5.720000 1.012000       6.807000      0.6211000      -1.087000       1.187000
  1 1 1     -10   18   16 f    3.197000      0.5574000       2.789000 0.8266000       3.605000      0.7479000     -0.8158000       1.115000
  1 1 1     -10   18   17 o    5.709000      0.3659000       5.234000 0.5474000       6.184000      0.4857000     -0.9508000      0.7318000
  1 1 1     -10   18   18 o    4.354000      0.4662000       4.626000 0.6182000       4.083000      0.6979000      0.5428000      0.9323000
  1 1 1     -10   18   19 o    2.793000      0.6045000       3.304000 0.8327000       2.281000      0.8766000       1.022000       1.209000
  1 1 1     -10   18   20 o    2.815000      0.6313000       3.042000 0.8674000       2.588000      0.9173000      0.4543000       1.263000
  1 1 1     -10   18   21 o    2.298000      0.6303000       2.104000 0.8511000       2.493000      0.9300000     -0.3894000       1.261000
  1 1 1     -10   18   22 o    2.506000      0.6440000       2.382000 0.9031000       2.630000      0.9183000     -0.2485000       1.288000
  1 1 1     -10   18   23 o    3.163000      0.6405000       3.774000 0.8640000       2.551000      0.9458000       1.223000       1.281000
  1 1 1     -10   18   24 o    3.946000      0.6164000       3.785000 0.8735000       4.107000      0.8698000     -0.3220000       1.233000
  1 1 1     -10   18   25 o    3.355000      0.6291000       2.490000 0.9213000       4.219000      0.8570000      -1.729000       1.258000
  1 1 1     -10   18   26 o    2.701000      0.9441000       2.701000 0.9441000                  ?              ?              ?              ?
  1 1 1     -10   19    1 o    3.754000      0.5264000       3.407000 0.8817000       4.101000      0.5753000     -0.6940000       1.053000
  1 1 1     -10   19    2 o    12.78000      0.2566000       12.47000 0.3784000       13.09000      0.3466000     -0.6203000      0.5132000
  1 1 1     -10   19    3 o    8.911000      0.2754000       8.739000 0.4197000       9.082000      0.3568000     -0.3432000      0.5508000
  1 1 1     -10   19    4 o    8.916000      0.2684000       8.548000 0.4092000       9.284000      0.3474000     -0.7363000      0.5368000
  1 1 1     -10   19    5 o    1.723000      0.5193000       1.535000 0.7099000       1.910000      0.7582000     -0.3750000       1.039000
  1 1 1     -10   19    6 o    4.904000      0.3634000       4.594000 0.5730000       5.213000      0.4473000     -0.6195000      0.7269000
  1 1 1     -10   19    7 o    8.295000      0.3338000       8.656000 0.4580000       7.935000      0.4858000      0.7207000      0.6677000
  1 1 1     -10   19    8 o    6.967000      0.3586000       6.531000 0.5108000       7.403000      0.5035000     -0.8725000      0.7172000
  1 1 1     -10   19    9 o    4.896000      0.3588000       4.400000 0.5653000       5.391000      0.4421000     -0.9905000      0.7176000
  1 1 1     -10   19   10 o    1.480000      0.4775000       1.381000 0.6535000       1.580000      0.6965000     -0.1995000      0.9550000
  1 1 1     -10   19   11 o    3.996000      0.6360000       4.744000 1.080000       3.249000      0.6716000       1.496000       1.272000
  1 1 1     -10   19   12 o    2.806000      0.7333000       2.519000 1.081000       3.093000      0.9916000     -0.5748000       1.467000
  1 1 1     -10   19   13 o    9.838000      0.3229000       9.699000 0.3738000       9.977000      0.5266000     -0.2779000      0.6457000
  1 1 1     -10   19   14 o    5.152000      0.3730000       5.237000 0.5165000       5.068000      0.5382000      0.1688000      0.7459000
  1 1 1     -10   19   15 o    2.862000      0.5678000       2.436000 0.8327000       3.287000      0.7722000     -0.8510000       1.136000
  1 1 1     -10   19   16 o    3.123000      0.5831000       2.545000 0.8786000       3.701000      0.7668000      -1.157000       1.166000
  1 1 1     -10   19   17 o    6.328000      0.3517000       6.652000 0.4692000       6.003000      0.5241000      0.6489000      0.7034000
  1 1 1     -10   19   18 o    2.798000      0.6188000       2.767000 0.8629000       2.830000      0.8872000     -0.6243000E-01   1.238000
  1 1 1     -10   19   19 f    2.555000      0.6419000       2.541000 0.8983000       2.568000      0.9172000     -0.2697000E-01   1.284000
  1 1 1     -10   19   20 o    4.227000      0.5498000       3.938000 0.8562000       4.517000      0.6898000     -0.5786000       1.100000
  1 1 1     -10   19   21 o    3.976000      0.6090000       4.031000 0.8701000       3.922000      0.8522000      0.1088000       1.218000
  1 1 1     -10   19   22 o    2.281000      0.6049000       1.741000 0.8042000       2.821000      0.9039000      -1.081000       1.210000
  1 1 1     -10   19   23 o    2.080000      0.6076000       2.539000 0.9488000       1.621000      0.7594000      0.9185000       1.215000
  1 1 1     -10   19   24 o    2.654000      0.6602000       3.016000 0.9398000       2.292000      0.9275000      0.7239000       1.320000
  1 1 1     -10   19   25 o    2.849000      0.6715000       2.567000 0.9212000       3.131000      0.9771000     -0.5642000       1.343000
  1 1 1     -10   20    1 o    3.035000      0.6043000       2.817000 0.9597000       3.253000      0.7346000     -0.4358000       1.209000
  1 1 1     -10   20    2 o    2.236000      0.5677000       3.032000 0.9196000       1.439000      0.6660000       1.593000       1.135000
  1 1 1     -10   20    3 o    2.249000      0.5964000       2.467000 0.8926000       2.031000      0.7914000      0.4366000       1.193000
  1 1 1     -10   20    4 o    5.169000      0.6537000       5.600000 0.9216000       4.738000      0.9274000      0.8621000       1.307000
  1 1 1     -10   20    5 o    4.233000      0.7059000       5.037000 0.9481000       3.429000       1.046000       1.609000       1.412000
  1 1 1     -10   20    6 o    6.204000      0.3095000       6.302000 0.4628000       6.106000      0.4110000      0.1961000      0.6189000
  1 1 1     -10   20    7 o    3.804000      0.4746000       3.404000 0.7862000       4.204000      0.5319000     -0.7995000      0.9492000
  1 1 1     -10   20    8 o    5.258000      0.3535000       5.824000 0.5001000       4.692000      0.4998000       1.131000      0.7070000
  1 1 1     -10   20    9 o    2.868000      0.6736000       2.341000 1.021000       3.395000      0.8788000      -1.055000       1.347000
  1 1 1     -10   20   10 o    6.615000      0.5143000       5.823000 0.8817000       7.407000      0.5297000      -1.584000       1.029000
  1 1 1     -10   20   11 o    2.419000      0.5754000       2.154000 0.8345000       2.685000      0.7923000     -0.5309000       1.151000
  1 1 1     -10   20   12 o    2.627000      0.5911000       2.521000 0.8671000       2.734000      0.8035000     -0.2132000       1.182000
  1 1 1     -10   20   13 o    2.128000      0.5695000       2.172000 0.7931000       2.084000      0.8174000      0.8823000E-01   1.139000
  1 1 1     -10   20   14 o    5.359000      0.3887000       5.623000 0.5321000       5.096000      0.5668000      0.5261000      0.7775000
  1 1 1     -10   20   15 o    3.047000      0.5819000       3.053000 0.8417000       3.041000      0.8038000      0.1203000E-01   1.164000
  1 1 1     -10   20   16 o    2.103000      0.5836000       2.097000 0.8353000       2.109000      0.8152000     -0.1174000E-01   1.167000
  1 1 1     -10   20   17 o    2.589000      0.6176000       2.182000 0.8798000       2.996000      0.8670000     -0.8133000       1.235000
  1 1 1     -10   20   18 o    4.584000      0.5264000       5.181000 0.6629000       3.986000      0.8180000       1.195000       1.053000
  1 1 1     -10   20   19 o    2.943000      0.6137000       2.254000 0.9020000       3.633000      0.8325000      -1.379000       1.227000
  1 1 1     -10   20   20 o    2.413000      0.6450000       2.636000 0.9468000       2.190000      0.8762000      0.4464000       1.290000
  1 1 1     -10   20   21 o    3.456000      0.6452000       3.678000 0.8909000       3.234000      0.9335000      0.4442000       1.290000
  1 1 1     -10   20   22 f    2.199000      0.6351000       2.181000 0.9012000       2.217000      0.8951000     -0.3617000E-01   1.270000
  1 1 1     -10   20   23 o    2.578000      0.6691000       2.740000 0.9634000       2.416000      0.9288000      0.3239000       1.338000
  1 1 1     -10   20   24 o    2.024000      0.6175000       1.845000 0.8150000       2.202000      0.9279000     -0.3570000       1.235000
  1 1 1     -10   21    1 o    4.326000       1.051000       4.415000 1.541000       4.237000       1.430000      0.1776000       2.102000
  1 1 1     -10   21    2 o    6.404000      0.7573000       6.103000 1.182000       6.704000      0.9466000     -0.6017000       1.515000
  1 1 1     -10   21    3 o    7.541000      0.3093000       7.343000 0.4799000       7.739000      0.3904000     -0.3958000      0.6186000
  1 1 1     -10   21    4 o    3.545000      0.5379000       3.834000 0.7992000       3.255000      0.7201000      0.5794000       1.076000
  1 1 1     -10   21    5 o    5.098000      0.4059000       5.070000 0.6350000       5.125000      0.5057000     -0.5527000E-01  0.8118000
  1 1 1     -10   21    6 o    9.613000      0.3664000       9.670000 0.5692000       9.557000      0.4614000      0.1128000      0.7328000
  1 1 1     -10   21    7 o    2.236000      0.6544000       2.154000 0.9606000       2.318000      0.8890000     -0.1641000       1.309000
  1 1 1     -10   21    8 o    3.130000      0.5634000       2.882000 0.8946000       3.379000      0.6850000     -0.4967000       1.127000
  1 1 1     -10   21    9 o    8.296000      0.2807000       7.737000 0.4298000       8.855000      0.3611000      -1.118000      0.5613000
  1 1 1     -10   21   10 o    6.982000      0.3081000       7.074000 0.4426000       6.890000      0.4287000      0.1846000      0.6162000
  1 1 1     -10   21   11 o    11.82000      0.2702000       11.61000 0.3967000       12.04000      0.3669000     -0.4310000      0.5403000
  1 1 1     -10   21   12 o    4.104000      0.4923000       4.654000 0.6442000       3.553000      0.7447000       1.101000      0.9847000
  1 1 1     -10   21   13 o    3.457000      0.5827000       3.941000 0.7979000       2.973000      0.8494000      0.9676000       1.165000
  1 1 1     -10   21   14 o    2.695000      0.6327000       2.841000 0.9224000       2.549000      0.8662000      0.2920000       1.265000
  1 1 1     -10   21   15 o    5.274000      0.4172000       5.320000 0.5995000       5.229000      0.5805000      0.9093000E-01  0.8345000
  1 1 1     -10   21   16 o    4.617000      0.4868000       4.516000 0.7312000       4.719000      0.6428000     -0.2025000      0.9735000
  1 1 1     -10   21   17 o    2.137000      0.6095000       2.008000 0.8373000       2.266000      0.8858000     -0.2583000       1.219000
  1 1 1     -10   21   18 o    2.643000      0.6499000       2.934000 0.9442000       2.351000      0.8932000      0.5836000       1.300000
  1 1 1     -10   21   19 o    2.288000      0.6190000       2.845000 0.9517000       1.731000      0.7920000       1.115000       1.238000
  1 1 1     -10   21   20 o    2.287000      0.6446000       2.432000 0.9435000       2.143000      0.8785000      0.2891000       1.289000
  1 1 1     -10   21   21 o    2.437000      0.6199000       3.242000 0.9778000       1.631000      0.7621000       1.611000       1.240000
  1 1 1     -10   21   22 o    3.408000      0.6887000       3.305000 0.9707000       3.511000      0.9773000     -0.2055000       1.377000
  1 1 1     -10   21   23 o    2.955000      0.6612000       2.269000 0.9310000       3.641000      0.9391000      -1.372000       1.322000
  1 1 1     -10   22    1 f    3.426000      0.6360000       3.351000 0.9639000       3.501000      0.8300000     -0.1499000       1.272000
  1 1 1     -10   22    2 o    5.255000      0.5331000       6.244000 0.7137000       4.265000      0.7920000       1.979000       1.066000
  1 1 1     -10   22    3 o    4.458000      0.6375000       3.801000 1.085000       5.115000      0.6700000      -1.313000       1.275000
  1 1 1     -10   22    4 o    6.772000      0.4334000       6.918000 0.6902000       6.627000      0.5244000      0.2908000      0.8668000
  1 1 1     -10   22    5 o    5.825000      0.3930000       5.352000 0.6435000       6.299000      0.4513000     -0.9469000      0.7860000
  1 1 1     -10   22    6 o    1.709000      0.5466000       1.943000 0.8483000       1.475000      0.6896000      0.4681000       1.093000
  1 1 1     -10   22    7 o    2.473000      0.5945000       2.011000 0.8758000       2.935000      0.8043000     -0.9240000       1.189000
  1 1 1     -10   22    8 o    2.994000      0.6556000       2.932000 0.9878000       3.055000      0.8622000     -0.1229000       1.311000
  1 1 1     -10   22    9 o    2.784000      0.5717000       2.023000 0.8494000       3.546000      0.7655000      -1.523000       1.143000
  1 1 1     -10   22   10 o    8.581000      0.2864000       8.496000 0.4206000       8.666000      0.3887000     -0.1703000      0.5727000
  1 1 1     -10   22   11 o    8.148000      0.2987000       8.073000 0.4437000       8.224000      0.4002000     -0.1508000      0.5975000
  1 1 1     -10   22   12 o    2.942000      0.6306000       2.957000 0.9305000       2.927000      0.8514000      0.2987000E-01   1.261000
  1 1 1     -10   22   13 o    3.256000      0.6040000       2.761000 0.9182000       3.750000      0.7849000     -0.9883000       1.208000
  1 1 1     -10   22   14 o    2.188000      0.6268000       2.434000 0.9373000       1.942000      0.8324000      0.4914000       1.254000
  1 1 1     -10   22   15 f    3.636000      0.6119000       3.234000 0.9548000       4.039000      0.7654000     -0.8056000       1.224000
  1 1 1     -10   22   16 o    2.827000      0.6385000       2.391000 0.9285000       3.263000      0.8767000     -0.8722000       1.277000
  1 1 1     -10   22   17 o    1.754000      0.5579000       1.473000 0.7127000       2.034000      0.8586000     -0.5611000       1.116000
  1 1 1     -10   22   18 o    2.575000      0.6462000       3.146000 0.9697000       2.003000      0.8545000       1.143000       1.292000
  1 1 1     -10   22   19 o    2.090000      0.6235000       2.194000 0.9102000       1.987000      0.8524000      0.2075000       1.247000
  1 1 1     -10   22   20 o    2.833000      0.6332000       1.935000 0.8664000       3.731000      0.9235000      -1.795000       1.266000
  1 1 1     -10   22   21 o    2.729000      0.6867000       3.204000 0.9993000       2.253000      0.9422000      0.9513000       1.373000
  1 1 1     -10   23    1 f    4.474000      0.5398000       4.234000 0.9120000       4.714000      0.5777000     -0.4805000       1.080000
  1 1 1     -10   23    2 o    2.290000      0.6521000       2.384000 0.9662000       2.195000      0.8761000      0.1882000       1.304000
  1 1 1     -10   23    3 o    4.021000      0.6297000       4.545000 0.9017000       3.498000      0.8793000       1.047000       1.259000
  1 1 1     -10   23    4 o    6.313000      0.4400000       5.731000 0.7339000       6.895000      0.4854000      -1.164000      0.8799000
  1 1 1     -10   23    5 o    5.487000      0.4643000       5.492000 0.7552000       5.483000      0.5402000      0.8420000E-02  0.9285000
  1 1 1     -10   23    6 o    2.905000      0.6128000       3.847000 0.9164000       1.963000      0.8139000       1.884000       1.226000
  1 1 1     -10   23    7 f    4.810000      0.4981000       5.226000 0.7562000       4.393000      0.6486000      0.8330000      0.9962000
  1 1 1     -10   23    8 o    5.255000      0.5098000       5.074000 0.8100000       5.435000      0.6194000     -0.3606000       1.020000
  1 1 1     -10   23    9 o    6.891000      0.3900000       6.452000 0.6228000       7.331000      0.4697000     -0.8787000      0.7800000
  1 1 1     -10   23   10 o    6.778000      0.3539000       7.227000 0.5178000       6.330000      0.4825000      0.8974000      0.7078000
  1 1 1     -10   23   11 o    1.678000      0.5415000       1.634000 0.7564000       1.722000      0.7751000     -0.8803000E-01   1.083000
  1 1 1     -10   23   12 o    2.257000      0.6222000       2.463000 0.9234000       2.050000      0.8342000      0.4131000       1.244000
  1 1 1     -10   23   13 o    3.574000      0.6167000       3.035000 0.9635000       4.114000      0.7701000      -1.079000       1.233000
  1 1 1     -10   23   14 o    3.769000      0.6476000       3.700000 0.9757000       3.838000      0.8519000     -0.1379000       1.295000
  1 1 1     -10   23   15 o    2.070000      0.6231000       2.220000 0.9258000       1.919000      0.8342000      0.3009000       1.246000
  1 1 1     -10   23   16 o    1.909000      0.5900000       1.565000 0.7493000       2.253000      0.9116000     -0.6882000       1.180000
  1 1 1     -10   23   17 o    4.702000      0.5565000       5.269000 0.7438000       4.134000      0.8280000       1.136000       1.113000
  1 1 1     -10   23   18 o    2.344000      0.6675000       2.453000 0.9755000       2.235000      0.9113000      0.2180000       1.335000
  1 1 1     -10   23   19 o    2.278000      0.6690000       2.186000 0.9321000       2.370000      0.9599000     -0.1838000       1.338000
  1 1 1     -10   23   20 o    1.690000      0.7966000                  ?       ?   1.690000      0.7966000                  ?              ?
  1 1 1     -10   24    1 o    2.618000      0.6997000       2.815000 1.062000       2.421000      0.9110000      0.3940000       1.399000
  1 1 1     -10   24    2 o    2.145000      0.6363000       2.003000 0.9127000       2.286000      0.8868000     -0.2830000       1.273000
  1 1 1     -10   24    3 o    5.661000      0.5624000       4.833000 0.9515000       6.488000      0.6000000      -1.656000       1.125000
  1 1 1     -10   24    4 o    3.796000      0.6636000       2.865000 1.077000       4.727000      0.7762000      -1.861000       1.327000
  1 1 1     -10   24    5 o    3.125000      0.7327000       3.471000 1.106000       2.779000      0.9615000      0.6921000       1.465000
  1 1 1     -10   24    6 o    3.186000      0.6287000       2.313000 0.9720000       4.058000      0.7976000      -1.745000       1.257000
  1 1 1     -10   24    7 o    3.298000      0.6803000       3.792000 0.9880000       2.804000      0.9355000      0.9884000       1.361000
  1 1 1     -10   24    8 o    3.047000      0.7151000       3.085000 1.040000       3.009000      0.9814000      0.7566000E-01   1.430000
  1 1 1     -10   24    9 o    2.158000      0.6466000       2.067000 0.9093000       2.249000      0.9195000     -0.1816000       1.293000
  1 1 1     -10   24   10 o    3.230000      0.6593000       2.623000 1.023000       3.837000      0.8319000      -1.213000       1.319000
  1 1 1     -10   24   11 o    3.350000      0.6760000       3.073000 1.031000       3.626000      0.8746000     -0.5526000       1.352000
  1 1 1     -10   24   12 o    1.703000      0.5777000       1.767000 0.8266000       1.639000      0.8072000      0.1281000       1.155000
  1 1 1     -10   24   13 o    2.578000      0.6680000       2.316000 0.9447000       2.839000      0.9447000     -0.5230000       1.336000
  1 1 1     -10   24   14 o    3.833000      0.6512000       3.221000 1.033000       4.446000      0.7934000      -1.225000       1.302000
  1 1 1     -10   24   15 o    2.114000      0.6516000       2.296000 0.9727000       1.933000      0.8673000      0.3630000       1.303000
  1 1 1     -10   24   16 o    2.474000      0.6792000       2.073000 0.9217000       2.875000      0.9979000     -0.8017000       1.358000
  1 1 1     -10   24   17 o    3.277000      0.6620000       2.545000 0.9938000       4.008000      0.8748000      -1.462000       1.324000
  1 1 1     -10   24   18 o    3.367000      0.7549000       2.490000 1.074000       4.245000       1.061000      -1.755000       1.510000
  1 1 1     -10   25    1 o    3.864000      0.6846000       3.951000 0.9849000       3.777000      0.9513000      0.1742000       1.369000
  1 1 1     -10   25    2 o    4.094000      0.6781000       4.622000 0.9725000       3.567000      0.9453000       1.055000       1.356000
  1 1 1     -10   25    3 o    2.415000      0.6843000       2.385000 0.9983000       2.446000      0.9363000     -0.6081000E-01   1.369000
  1 1 1     -10   25    4 o    2.632000      0.6485000       1.991000 0.9171000       3.272000      0.9171000      -1.281000       1.297000
  1 1 1     -10   25    5 o    2.591000      0.7198000       2.558000 1.037000       2.624000      0.9983000     -0.6627000E-01   1.440000
  1 1 1     -10   25    6 o    2.012000      0.6420000       1.979000 0.9128000       2.045000      0.9029000     -0.6574000E-01   1.284000
  1 1 1     -10   25    7 o    5.317000      0.5220000       5.674000 0.7252000       4.960000      0.7510000      0.7143000       1.044000
  1 1 1     -10   25    8 o    5.391000      0.5315000       5.186000 0.8275000       5.596000      0.6672000     -0.4102000       1.063000
  1 1 1     -10   25    9 o    3.674000      0.7288000       3.770000 1.087000       3.577000      0.9716000      0.1929000       1.458000
  1 1 1     -10   25   10 o    2.676000      0.7193000       3.005000 1.091000       2.347000      0.9376000      0.6574000       1.439000
  1 1 1     -10   25   11 o    2.232000      0.6791000       2.634000 1.070000       1.829000      0.8362000      0.8052000       1.358000
  1 1 1     -10   25   12 o    3.435000      0.7357000       3.139000 1.094000       3.732000      0.9838000     -0.5931000       1.471000
  1 1 1     -10   25   13 o    5.729000      0.5038000       4.814000 0.8267000       6.644000      0.5760000      -1.830000       1.008000
  1 1 1     -10   25   14 o    4.310000      0.6535000       4.639000 0.9194000       3.981000      0.9289000      0.6578000       1.307000
  1 1 1     -10   25   15 o    2.960000      0.7354000       3.225000 1.064000       2.694000       1.016000      0.5313000       1.471000
  1 1 1     -10   26    1 o    1.714000      0.8089000                  ?       ?   1.714000      0.8089000                  ?              ?
  1 1 1     -10   26    2 o    4.371000      0.6582000       3.583000 1.107000       5.158000      0.7128000      -1.576000       1.316000
  1 1 1     -10   26    3 o    4.125000      0.7272000       3.530000 1.138000       4.720000      0.9054000      -1.190000       1.454000
  1 1 1     -10   26    4 o    2.968000      0.7200000       2.395000 1.025000       3.541000       1.012000      -1.147000       1.440000
  1 1 1     -10   26    5 o    2.919000      0.6995000       2.415000 1.017000       3.423000      0.9607000      -1.008000       1.399000
  1 1 1     -10   26    6 o    2.304000      0.6963000       2.091000 0.9485000       2.517000       1.020000     -0.4268000       1.393000
  1 1 1     -10   26    7 o    2.736000      0.7007000       3.557000 1.096000       1.916000      0.8732000       1.641000       1.401000
  1 1 1     -10   26    8 o    2.558000      0.6866000       3.193000 1.068000       1.923000      0.8637000       1.270000       1.373000
  1 1 1     -10   26    9 o    2.590000      0.7288000       2.715000 1.063000       2.465000      0.9974000      0.2504000       1.458000
  1 1 1     -10   26   10 o    3.255000      0.6937000       2.392000 1.023000       4.117000      0.9373000      -1.725000       1.387000
  1 1 1     -10   26   11 o    2.115000      0.6600000       2.570000 1.059000       1.660000      0.7880000      0.9102000       1.320000
  1 1 1     -10   26   12 o    3.967000      0.7170000       3.873000 1.075000       4.061000      0.9490000     -0.1877000       1.434000
  1 1 1     -10   26   13 o    3.120000       1.206000       3.120000 1.206000                  ?              ?              ?              ?
  1 1 1     -10   27    1 o    3.147000      0.7669000       2.601000 1.074000       3.694000       1.095000      -1.093000       1.534000
  1 1 1     -10   27    2 o    2.996000      0.7267000       2.321000 1.024000       3.671000       1.032000      -1.351000       1.453000
  1 1 1     -10   27    3 o    3.738000      0.7434000       3.839000 1.113000       3.637000      0.9859000      0.2022000       1.487000
  1 1 1     -10   27    4 o    3.478000      0.7632000       2.796000 1.116000       4.160000       1.041000      -1.364000       1.526000
  1 1 1     -10   27    5 o    2.613000      0.7463000       2.668000 1.072000       2.558000       1.038000      0.1099000       1.493000
  1 1 1     -10   27    6 o    2.952000      0.7036000       3.779000 1.065000       2.125000      0.9195000       1.655000       1.407000
  1 1 1     -10   27    7 o    2.166000      0.6784000       2.024000 0.9380000       2.308000      0.9803000     -0.2846000       1.357000
  1 1 1     -10   27    8 o    2.685000      0.7245000       2.713000 1.058000       2.656000      0.9900000      0.5740000E-01   1.449000
  1 1 1     -10   27    9 o    1.517000      0.5137000       1.434000 0.7088000       1.599000      0.7438000     -0.1647000       1.027000
  1 1 1      -9  -36    1 o    2.589000      0.8112000       2.868000 1.265000       2.310000       1.015000      0.5576000       1.622000
  1 1 1      -9  -36    2 f    2.786000      0.7793000       3.302000 1.191000       2.270000       1.005000       1.032000       1.559000
  1 1 1      -9  -36    3 o    2.868000      0.7701000       3.524000 1.190000       2.211000      0.9783000       1.313000       1.540000
  1 1 1      -9  -36    4 o    2.775000      0.7896000       2.791000 1.149000       2.760000       1.083000      0.3168000E-01   1.579000
  1 1 1      -9  -36    5 f    3.054000      0.7898000       2.551000 1.106000       3.557000       1.128000      -1.006000       1.580000
  1 1 1      -9  -36    6 o    4.876000      0.8345000       6.707000 1.246000       3.046000       1.110000       3.660000       1.669000
  1 1 1      -9  -35    1 o    3.705000      0.7167000       4.840000 1.006000       2.571000       1.021000       2.270000       1.433000
  1 1 1      -9  -35    2 o    2.422000      0.7007000       2.006000 0.9358000       2.838000       1.043000     -0.8322000       1.401000
  1 1 1      -9  -35    3 o    2.368000      0.7129000       2.995000 1.157000       1.740000      0.8337000       1.254000       1.426000
  1 1 1      -9  -35    4 o    2.813000      0.7791000       2.750000 1.119000       2.876000       1.084000     -0.1254000       1.558000
  1 1 1      -9  -35    5 o    2.723000      0.7655000       2.897000 1.128000       2.549000       1.035000      0.3485000       1.531000
  1 1 1      -9  -35    6 o    3.567000      0.8330000       3.382000 1.159000       3.752000       1.196000     -0.3698000       1.666000
  1 1 1      -9  -35    7 o    2.422000      0.7036000       2.890000 1.082000       1.954000      0.9002000      0.9362000       1.407000
  1 1 1      -9  -35    8 f    2.932000      0.7500000       3.010000 1.077000       2.854000       1.044000      0.1555000       1.500000
  1 1 1      -9  -35    9 o    3.715000      0.7677000       3.748000 1.102000       3.681000       1.069000      0.6735000E-01   1.535000
  1 1 1      -9  -35   10 o    2.839000      0.7580000       2.815000 1.065000       2.864000       1.079000     -0.4869000E-01   1.516000
  1 1 1      -9  -35   11 o    2.727000       1.218000       2.727000 1.218000                  ?              ?              ?              ?
  1 1 1      -9  -34    1 o    2.051000      0.6504000       2.214000 0.9823000       1.888000      0.8527000      0.3254000       1.301000
  1 1 1      -9  -34    2 o    3.315000      0.7070000       2.592000 1.081000       4.038000      0.9120000      -1.446000       1.414000
  1 1 1      -9  -34    3 f    3.429000      0.7375000       2.858000 1.134000       4.001000      0.9434000      -1.144000       1.475000
  1 1 1      -9  -34    4 o    3.385000      0.7680000       2.910000 1.147000       3.860000       1.021000     -0.9503000       1.536000
  1 1 1      -9  -34    5 o    2.165000      0.6657000       1.688000 0.8290000       2.643000       1.042000     -0.9544000       1.331000
  1 1 1      -9  -34    6 o    1.659000      0.5664000       1.971000 0.9100000       1.347000      0.6748000      0.6235000       1.133000
  1 1 1      -9  -34    7 o    3.532000      0.6649000       2.466000 1.020000       4.597000      0.8529000      -2.131000       1.330000
  1 1 1      -9  -34    8 o    2.899000      0.7349000       2.360000 1.023000       3.438000       1.056000      -1.079000       1.470000
  1 1 1      -9  -34    9 o    2.747000      0.7264000       2.178000 0.9787000       3.316000       1.074000      -1.138000       1.453000
  1 1 1      -9  -34   10 o    3.205000      0.7188000       2.493000 1.017000       3.916000       1.016000      -1.422000       1.438000
  1 1 1      -9  -34   11 o    2.366000      0.6966000       1.990000 0.9158000       2.742000       1.050000     -0.7520000       1.393000
  1 1 1      -9  -34   12 o    2.148000      0.6536000       2.501000 0.9894000       1.794000      0.8542000      0.7067000       1.307000
  1 1 1      -9  -34   13 o    3.275000      0.6972000       3.733000 0.9362000       2.817000       1.033000      0.9162000       1.394000
  1 1 1      -9  -34   14 f    5.792000       1.390000       5.792000 1.390000                  ?              ?              ?              ?
  1 1 1      -9  -33    1 o    5.324000      0.5899000       4.356000 1.019000       6.293000      0.5955000      -1.937000       1.180000
  1 1 1      -9  -33    2 o    4.059000      0.6811000       3.949000 1.062000       4.168000      0.8527000     -0.2190000       1.362000
  1 1 1      -9  -33    3 o    2.736000      0.7077000       2.352000 1.020000       3.120000      0.9811000     -0.7676000       1.415000
  1 1 1      -9  -33    4 o    4.386000      0.6651000       4.760000 0.9861000       4.011000      0.8926000      0.7486000       1.330000
  1 1 1      -9  -33    5 o    3.665000      0.6873000       3.866000 1.019000       3.463000      0.9227000      0.4038000       1.375000
  1 1 1      -9  -33    6 o    2.646000      0.7058000       2.723000 1.047000       2.570000      0.9472000      0.1532000       1.412000
  1 1 1      -9  -33    7 o    2.108000      0.6508000       2.348000 1.001000       1.867000      0.8313000      0.4814000       1.302000
  1 1 1      -9  -33    8 f    2.050000      0.6522000       2.239000 0.9867000       1.862000      0.8531000      0.3763000       1.304000
  1 1 1      -9  -33    9 o    2.814000      0.7535000       2.726000 1.072000       2.903000       1.059000     -0.1770000       1.507000
  1 1 1      -9  -33   10 o    3.300000      0.7497000       3.328000 1.086000       3.272000       1.033000      0.5624000E-01   1.499000
  1 1 1      -9  -33   11 o    3.971000      0.7088000       3.564000 1.069000       4.378000      0.9309000     -0.8136000       1.418000
  1 1 1      -9  -33   12 o    3.016000      0.7161000       3.503000 1.013000       2.528000       1.013000      0.9753000       1.432000
  1 1 1      -9  -33   13 o    2.569000      0.6451000       1.757000 0.8185000       3.381000      0.9973000      -1.624000       1.290000
  1 1 1      -9  -33   14 o    2.832000      0.6981000       3.617000 1.055000       2.046000      0.9146000       1.571000       1.396000
  1 1 1      -9  -33   15 o    2.482000      0.6963000       2.836000 1.019000       2.127000      0.9488000      0.7094000       1.393000
  1 1 1      -9  -33   16 o    2.787000      0.7073000       2.072000 0.9056000       3.503000       1.087000      -1.430000       1.415000
  1 1 1      -9  -32    1 o    4.803000      0.4982000       5.359000 0.6908000       4.247000      0.7181000       1.112000      0.9965000
  1 1 1      -9  -32    2 o    3.397000      0.6459000       3.546000 0.9685000       3.249000      0.8548000      0.2969000       1.292000
  1 1 1      -9  -32    3 o    3.535000      0.6519000       3.972000 0.9718000       3.098000      0.8691000      0.8747000       1.304000
  1 1 1      -9  -32    4 o    2.721000      0.6701000       2.542000 0.9970000       2.899000      0.8957000     -0.3570000       1.340000
  1 1 1      -9  -32    5 o    3.975000      0.6249000       3.533000 1.004000       4.417000      0.7438000     -0.8841000       1.250000
  1 1 1      -9  -32    6 o    2.584000      0.6784000       2.307000 0.9675000       2.861000      0.9513000     -0.5538000       1.357000
  1 1 1      -9  -32    7 o    5.225000      0.4848000       5.712000 0.6911000       4.739000      0.6801000      0.9732000      0.9696000
  1 1 1      -9  -32    8 f    2.500000      0.6854000       2.527000 1.007000       2.472000      0.9303000      0.5502000E-01   1.371000
  1 1 1      -9  -32    9 o    2.970000      0.7231000       2.928000 1.045000       3.012000      0.9994000     -0.8349000E-01   1.446000
  1 1 1      -9  -32   10 o    2.627000      0.6847000       3.256000 1.054000       1.998000      0.8745000       1.258000       1.369000
  1 1 1      -9  -32   11 o    4.604000      0.6053000       4.831000 0.8785000       4.377000      0.8328000      0.4544000       1.211000
  1 1 1      -9  -32   12 o    2.628000      0.6972000       2.903000 1.020000       2.353000      0.9509000      0.5495000       1.394000
  1 1 1      -9  -32   13 o    2.187000      0.6585000       2.261000 0.9578000       2.113000      0.9038000      0.1477000       1.317000
  1 1 1      -9  -32   14 o    3.048000       1.070000       3.048000 1.070000                  ?              ?              ?              ?
  1 1 1      -9  -32   15 o    2.385000      0.6946000       2.559000 1.008000       2.211000      0.9565000      0.3486000       1.389000
  1 1 1      -9  -32   16 o    3.142000      0.9951000                  ?       ?   3.142000      0.9951000                  ?              ?
  1 1 1      -9  -32   17 o    2.474000      0.7030000       2.412000 0.9892000       2.537000      0.9991000     -0.1258000       1.406000
  1 1 1      -9  -32   18 o    1.888000      0.6042000       1.968000 0.8804000       1.809000      0.8278000      0.1583000       1.208000
  1 1 1      -9  -31    1 o    4.170000      0.5470000       4.395000 0.8282000       3.946000      0.7148000      0.4493000       1.094000
  1 1 1      -9  -31    2 o    2.822000      0.6537000       2.761000 0.9899000       2.883000      0.8541000     -0.1223000       1.307000
  1 1 1      -9  -31    3 o    1.917000      0.5856000       2.143000 0.8985000       1.690000      0.7513000      0.4532000       1.171000
  1 1 1      -9  -31    4 o    2.993000      0.6047000       2.952000 0.9359000       3.034000      0.7660000     -0.8233000E-01   1.209000
  1 1 1      -9  -31    5 o    2.795000      0.5906000       3.815000 0.9009000       1.775000      0.7639000       2.041000       1.181000
  1 1 1      -9  -31    6 o    6.688000      0.3604000       6.469000 0.5749000       6.907000      0.4348000     -0.4383000      0.7208000
  1 1 1      -9  -31    7 o    3.295000      0.6203000       3.149000 0.9278000       3.441000      0.8236000     -0.2923000       1.241000
  1 1 1      -9  -31    8 o    2.999000      0.6139000       2.461000 0.9207000       3.537000      0.8125000      -1.076000       1.228000
  1 1 1      -9  -31    9 o    3.119000      0.6554000       2.965000 0.9645000       3.272000      0.8877000     -0.3076000       1.311000
  1 1 1      -9  -31   10 o    4.524000      0.5456000       3.790000 0.9093000       5.258000      0.6031000      -1.468000       1.091000
  1 1 1      -9  -31   11 o    4.002000      0.6124000       3.416000 0.9937000       4.589000      0.7160000      -1.173000       1.225000
  1 1 1      -9  -31   12 o    3.050000      0.7140000       3.096000 1.046000       3.004000      0.9728000      0.9209000E-01   1.428000
  1 1 1      -9  -31   13 o    2.594000      0.6981000       2.413000 0.9781000       2.776000      0.9964000     -0.3638000       1.396000
  1 1 1      -9  -31   14 o    2.279000      0.6415000       2.066000 0.8893000       2.491000      0.9248000     -0.4244000       1.283000
  1 1 1      -9  -31   15 o    2.902000      0.6611000       3.798000 0.9805000       2.007000      0.8872000       1.792000       1.322000
  1 1 1      -9  -31   16 o    3.505000      0.6654000       3.709000 0.8497000       3.300000       1.024000      0.4086000       1.331000
  1 1 1      -9  -31   17 o    3.240000      0.6752000       3.879000 0.9210000       2.600000      0.9876000       1.279000       1.350000
  1 1 1      -9  -31   18 o    2.604000      0.6859000       2.810000 0.9914000       2.398000      0.9482000      0.4129000       1.372000
  1 1 1      -9  -31   19 o    3.678000      0.6407000       4.325000 0.8128000       3.032000      0.9906000       1.294000       1.281000
  1 1 1      -9  -31   20 o    3.289000      0.6724000       2.434000 0.9675000       4.144000      0.9340000      -1.710000       1.345000
  1 1 1      -9  -30    1 o    2.727000      0.8483000       2.815000 1.245000       2.639000       1.153000      0.1759000       1.697000
  1 1 1      -9  -30    2 o    3.137000      0.8597000       3.404000 1.268000       2.871000       1.161000      0.5328000       1.719000
  1 1 1      -9  -30    3 o    4.797000      0.6606000       4.647000 1.010000       4.946000      0.8522000     -0.2985000       1.321000
  1 1 1      -9  -30    4 o    3.740000      0.6126000       4.198000 0.9881000       3.282000      0.7245000      0.9166000       1.225000
  1 1 1      -9  -30    5 o    2.338000      0.5977000       2.432000 0.8923000       2.244000      0.7954000      0.1878000       1.195000
  1 1 1      -9  -30    6 o    7.821000      0.3006000       7.271000 0.4768000       8.370000      0.3661000      -1.099000      0.6012000
  1 1 1      -9  -30    7 o    3.501000      0.5533000       3.959000 0.7427000       3.043000      0.8203000      0.9166000       1.107000
  1 1 1      -9  -30    8 o    3.689000      0.5089000       3.980000 0.6898000       3.398000      0.7485000      0.5815000       1.018000
  1 1 1      -9  -30    9 o    6.029000      0.3567000       6.297000 0.4841000       5.762000      0.5240000      0.5356000      0.7134000
  1 1 1      -9  -30   10 o    5.444000      0.3750000       5.379000 0.5613000       5.508000      0.4976000     -0.1284000      0.7501000
  1 1 1      -9  -30   11 o    3.775000      0.5387000       4.405000 0.6965000       3.146000      0.8220000       1.259000       1.077000
  1 1 1      -9  -30   12 o    2.566000      0.6632000       2.418000 0.9449000       2.714000      0.9309000     -0.2953000       1.326000
  1 1 1      -9  -30   13 o    3.213000      0.6563000       3.534000 0.9192000       2.892000      0.9370000      0.6414000       1.313000
  1 1 1      -9  -30   14 f    2.825000      0.6102000       3.627000 0.8659000       2.024000      0.8600000       1.603000       1.220000
  1 1 1      -9  -30   15 o    5.152000      0.4842000       5.414000 0.6383000       4.890000      0.7282000      0.5239000      0.9683000
  1 1 1      -9  -30   16 o    4.979000      0.6872000       5.060000 0.7206000       4.899000       1.170000      0.1609000       1.374000
  1 1 1      -9  -30   17 o    2.685000      0.6500000       1.959000 0.8694000       3.410000      0.9665000      -1.451000       1.300000
  1 1 1      -9  -30   18 o    2.845000      0.6771000       3.039000 0.9650000       2.651000      0.9501000      0.3872000       1.354000
  1 1 1      -9  -30   19 o    1.958000      0.6051000       1.710000 0.7930000       2.206000      0.9141000     -0.4967000       1.210000
  1 1 1      -9  -30   20 o    2.275000      0.6160000       2.643000 0.8991000       1.907000      0.8422000      0.7361000       1.232000
  1 1 1      -9  -30   21 o    3.675000      0.6786000       3.577000 0.9583000       3.774000      0.9611000     -0.1968000       1.357000
  1 1 1      -9  -30   22 o    2.033000      0.9759000       2.033000 0.9759000                  ?              ?              ?              ?
  1 1 1      -9  -29    1 o    2.619000      0.5982000       2.981000 0.9017000       2.256000      0.7865000      0.7248000       1.196000
  1 1 1      -9  -29    2 o    6.607000      0.2938000       6.439000 0.4554000       6.776000      0.3712000     -0.3375000      0.5876000
  1 1 1      -9  -29    3 o    8.324000      0.2770000       7.683000 0.4392000       8.966000      0.3379000      -1.283000      0.5541000
  1 1 1      -9  -29    4 o    2.569000      0.5970000       2.897000 0.8881000       2.240000      0.7982000      0.6573000       1.194000
  1 1 1      -9  -29    5 o    2.542000      0.5713000       2.965000 0.8493000       2.119000      0.7644000      0.8458000       1.143000
  1 1 1      -9  -29    6 o    2.171000      0.5452000       2.588000 0.8318000       1.755000      0.7051000      0.8332000       1.090000
  1 1 1      -9  -29    7 o    3.992000      0.5287000       4.061000 0.5377000       3.923000      0.9105000      0.1384000       1.057000
  1 1 1      -9  -29    8 o    1.888000      0.5837000       1.607000 0.7314000       2.169000      0.9098000     -0.5620000       1.167000
  1 1 1      -9  -29    9 o    2.217000      0.6155000       2.597000 0.9007000       1.838000      0.8393000      0.7594000       1.231000
  1 1 1      -9  -29   10 o    6.547000      0.4164000       7.113000 0.4969000       5.982000      0.6682000       1.131000      0.8327000
  1 1 1      -9  -29   11 o    5.927000      0.4900000       7.051000 0.5011000       4.802000      0.8423000       2.249000      0.9801000
  1 1 1      -9  -29   12 o    3.667000      0.5349000       3.713000 0.7429000       3.622000      0.7698000      0.9145000E-01   1.070000
  1 1 1      -9  -29   13 o    5.488000      0.3691000       5.664000 0.5017000       5.312000      0.5415000      0.3526000      0.7382000
  1 1 1      -9  -29   14 o    3.627000      0.5985000       3.767000 0.8171000       3.486000      0.8746000      0.2804000       1.197000
  1 1 1      -9  -29   15 o    1.756000      0.5538000       1.424000 0.6863000       2.088000      0.8693000     -0.6643000       1.108000
  1 1 1      -9  -29   16 o    2.084000      0.6128000       2.062000 0.8696000       2.107000      0.8637000     -0.4536000E-01   1.226000
  1 1 1      -9  -29   17 f    3.518000      0.5814000       3.270000 0.8635000       3.766000      0.7789000     -0.4961000       1.163000
  1 1 1      -9  -29   18 o    4.485000      0.5428000       4.996000 0.7128000       3.973000      0.8187000       1.023000       1.086000
  1 1 1      -9  -29   19 o    3.917000      0.5908000       4.172000 0.7777000       3.661000      0.8894000      0.5113000       1.182000
  1 1 1      -9  -29   20 o    3.300000      0.6533000       3.091000 0.9494000       3.510000      0.8978000     -0.4192000       1.307000
  1 1 1      -9  -29   21 o    1.952000      0.5886000       2.005000 0.8459000       1.900000      0.8186000      0.1054000       1.177000
  1 1 1      -9  -29   22 o    2.179000      0.6446000       2.067000 0.8970000       2.292000      0.9261000     -0.2257000       1.289000
  1 1 1      -9  -29   23 o    3.805000      0.6218000       4.530000 0.7914000       3.081000      0.9594000       1.449000       1.244000
  1 1 1      -9  -28    1 o    6.085000      0.3688000       6.094000 0.6031000       6.075000      0.4247000      0.1863000E-01  0.7376000
  1 1 1      -9  -28    2 o    4.888000      0.4707000       5.129000 0.7581000       4.647000      0.5581000      0.4819000      0.9414000
  1 1 1      -9  -28    3 o    6.817000      0.3854000       6.214000 0.6417000       7.419000      0.4269000      -1.204000      0.7707000
  1 1 1      -9  -28    4 o    5.795000      0.4697000       5.652000 0.7844000       5.938000      0.5167000     -0.2861000      0.9393000
  1 1 1      -9  -28    5 o    7.924000      0.3571000       7.627000 0.5716000       8.222000      0.4283000     -0.5946000      0.7142000
  1 1 1      -9  -28    6 o    2.992000      0.6940000       3.811000 1.075000       2.173000      0.8783000       1.638000       1.388000
  1 1 1      -9  -28    7 o    7.295000      0.2994000       6.705000 0.3743000       7.886000      0.4673000      -1.181000      0.5987000
  1 1 1      -9  -28    8 o    4.446000      0.4074000       4.365000 0.6016000       4.526000      0.5495000     -0.1607000      0.8147000
  1 1 1      -9  -28    9 o    4.844000      0.3520000       4.756000 0.5197000       4.933000      0.4748000     -0.1771000      0.7039000
  1 1 1      -9  -28   10 o    6.641000      0.2950000       6.350000 0.4272000       6.932000      0.4070000     -0.5822000      0.5901000
  1 1 1      -9  -28   11 o    1.694000      0.5083000       2.023000 0.7872000       1.365000      0.6434000      0.6586000       1.017000
  1 1 1      -9  -28   12 o    5.029000      0.3866000       5.318000 0.5102000       4.740000      0.5808000      0.5781000      0.7731000
  1 1 1      -9  -28   13 f    1.648000      0.5479000       1.278000 0.6140000       2.018000      0.9077000     -0.7403000       1.096000
  1 1 1      -9  -28   14 o    4.183000      0.5891000       4.338000 0.6751000       4.028000      0.9657000      0.3104000       1.178000
  1 1 1      -9  -28   15 o    6.927000      0.4462000       6.927000 0.4462000                  ?              ?              ?              ?
  1 1 1      -9  -28   16 o    5.113000      0.4915000       5.156000 0.5523000       5.071000      0.8131000      0.8533000E-01  0.9829000
  1 1 1      -9  -28   17 o    3.955000      0.7620000                  ?       ?   3.955000      0.7620000                  ?              ?
  1 1 1      -9  -28   18 o    1.811000      0.5592000       1.860000 0.7955000       1.763000      0.7860000      0.9698000E-01   1.118000
  1 1 1      -9  -28   19 o    2.443000      0.6433000       2.541000 0.9314000       2.346000      0.8875000      0.1956000       1.287000
  1 1 1      -9  -28   20 o    1.987000      0.5751000       2.385000 0.8772000       1.588000      0.7441000      0.7966000       1.150000
  1 1 1      -9  -28   21 o    1.620000      0.5368000       1.729000 0.7988000       1.510000      0.7173000      0.2191000       1.074000
  1 1 1      -9  -28   22 o    2.305000      0.6640000       2.462000 0.9816000       2.148000      0.8944000      0.3143000       1.328000
  1 1 1      -9  -28   23 o    2.027000      0.6095000       2.130000 0.8739000       1.925000      0.8498000      0.2042000       1.219000
  1 1 1      -9  -28   24 o    2.820000      0.6494000       2.181000 0.8806000       3.458000      0.9548000      -1.277000       1.299000
  1 1 1      -9  -27    1 o    1.872000      0.5154000       2.022000 0.7794000       1.721000      0.6745000      0.3012000       1.031000
  1 1 1      -9  -27    2 o    6.340000      0.2832000       6.152000 0.4425000       6.528000      0.3535000     -0.3755000      0.5663000
  1 1 1      -9  -27    3 o    5.411000      0.3175000       5.724000 0.4749000       5.098000      0.4214000      0.6258000      0.6349000
  1 1 1      -9  -27    4 o    11.00000      0.2332000       10.78000 0.3451000       11.22000      0.3136000     -0.4363000      0.4663000
  1 1 1      -9  -27    5 o    9.481000      0.2235000       9.228000 0.3267000       9.733000      0.3051000     -0.5045000      0.4470000
  1 1 1      -9  -27    6 o    2.837000      0.5152000       3.272000 0.6914000       2.402000      0.7639000      0.8703000       1.030000
  1 1 1      -9  -27    7 o    1.910000      0.5209000       2.447000 0.8287000       1.372000      0.6313000       1.075000       1.042000
  1 1 1      -9  -27    8 o    2.296000      0.5467000       2.131000 0.7968000       2.461000      0.7488000     -0.3299000       1.093000
  1 1 1      -9  -27    9 o    3.172000      0.7138000       2.943000 1.120000       3.402000      0.8854000     -0.4586000       1.428000
  1 1 1      -9  -27   10 o    3.189000      0.7047000       3.478000 1.095000       2.900000      0.8876000      0.5784000       1.409000
  1 1 1      -9  -27   11 o    3.142000      0.7689000       3.737000 1.220000       2.547000      0.9363000       1.190000       1.538000
  1 1 1      -9  -27   12 o    3.306000      0.7418000       3.917000 1.163000       2.695000      0.9210000       1.223000       1.484000
  1 1 1      -9  -27   13 o    3.754000      0.4163000       4.318000 0.4873000       3.190000      0.6750000       1.128000      0.8325000
  1 1 1      -9  -27   14 o    3.931000      0.4134000       3.858000 0.5653000       4.005000      0.6032000     -0.1470000      0.8267000
  1 1 1      -9  -27   15 o    4.108000      0.4143000       3.494000 0.6321000       4.723000      0.5357000      -1.229000      0.8286000
  1 1 1      -9  -27   16 o    5.749000      0.3414000       6.387000 0.4167000       5.110000      0.5409000       1.278000      0.6828000
  1 1 1      -9  -27   17 o    5.672000      0.4065000       5.088000 0.4361000       6.256000      0.6861000      -1.168000      0.8130000
  1 1 1      -9  -27   18 o    2.784000      0.6207000       3.277000 0.8042000       2.290000      0.9457000      0.9870000       1.241000
  1 1 1      -9  -27   19 o    4.226000      0.6433000       4.856000 0.6576000       3.596000       1.106000       1.260000       1.287000
  1 1 1      -9  -27   20 o    4.701000      0.5039000       4.894000 0.7282000       4.507000      0.6966000      0.3876000       1.008000
  1 1 1      -9  -27   21 o    3.276000      0.6324000       3.539000 0.8291000       3.014000      0.9552000      0.5250000       1.265000
  1 1 1      -9  -27   22 o    1.967000      0.6025000       2.132000 0.8886000       1.802000      0.8139000      0.3300000       1.205000
  1 1 1      -9  -27   23 o    2.413000      0.6468000       1.969000 0.8491000       2.856000      0.9759000     -0.8874000       1.294000
  1 1 1      -9  -27   24 o    1.972000      0.5968000       1.385000 0.6714000       2.558000      0.9868000      -1.173000       1.194000
  1 1 1      -9  -27   25 o    2.686000      0.6805000       2.949000 0.9722000       2.424000      0.9523000      0.5247000       1.361000
  1 1 1      -9  -27   26 o    3.231000       1.242000       3.231000 1.242000                  ?              ?              ?              ?
  1 1 1      -9  -26    1 o    3.834000      0.3698000       3.834000 0.5774000       3.835000      0.4621000     -0.5913000E-03  0.7396000
  1 1 1      -9  -26    2 o    7.431000      0.2384000       7.351000 0.3694000       7.510000      0.3013000     -0.1590000      0.4767000
  1 1 1      -9  -26    3 o    4.392000      0.3439000       4.880000 0.4854000       3.905000      0.4872000      0.9748000      0.6877000
  1 1 1      -9  -26    4 o    8.135000      0.2122000       7.991000 0.3153000       8.280000      0.2842000     -0.2893000      0.4245000
  1 1 1      -9  -26    5 o    1.815000      0.4572000       1.248000 0.5768000       2.383000      0.7095000      -1.134000      0.9144000
  1 1 1      -9  -26    6 o    3.755000      0.3852000       3.250000 0.6309000       4.259000      0.4420000      -1.009000      0.7703000
  1 1 1      -9  -26    7 o    3.080000      0.4466000       3.039000 0.6294000       3.120000      0.6339000     -0.8174000E-01  0.8933000
  1 1 1      -9  -26    8 o    1.644000      0.4733000       1.999000 0.7267000       1.289000      0.6065000      0.7099000      0.9465000
  1 1 1      -9  -26    9 o    2.768000      0.4886000       2.214000 0.7421000       3.321000      0.6358000      -1.107000      0.9772000
  1 1 1      -9  -26   10 o    7.328000      0.2617000       7.356000 0.3695000       7.299000      0.3709000      0.5646000E-01  0.5235000
  1 1 1      -9  -26   11 o    2.686000      0.4887000       3.237000 0.6207000       2.134000      0.7550000       1.104000      0.9774000
  1 1 1      -9  -26   12 o    7.056000      0.2542000       7.200000 0.3544000       6.912000      0.3645000      0.2881000      0.5084000
  1 1 1      -9  -26   13 o    6.580000      0.2815000       6.811000 0.3807000       6.348000      0.4148000      0.4635000      0.5630000
  1 1 1      -9  -26   14 o    6.707000      0.4875000       6.607000 0.8084000       6.807000      0.5452000     -0.1995000      0.9750000
  1 1 1      -9  -26   15 f    2.076000      0.6721000       2.289000 1.048000       1.863000      0.8420000      0.4256000       1.344000
  1 1 1      -9  -26   16 o    4.358000      0.7644000       4.271000 1.303000       4.446000      0.8003000     -0.1742000       1.529000
  1 1 1      -9  -26   17 o    5.590000      0.3491000       5.668000 0.5066000       5.512000      0.4805000      0.1556000      0.6982000
  1 1 1      -9  -26   18 o    4.451000      0.4360000       4.799000 0.5469000       4.104000      0.6791000      0.6955000      0.8720000
  1 1 1      -9  -26   19 o    6.104000      0.3378000       6.045000 0.4678000       6.164000      0.4875000     -0.1191000      0.6757000
  1 1 1      -9  -26   20 o    5.344000      0.7123000       4.823000 1.333000       5.864000      0.5019000      -1.041000       1.425000
  1 1 1      -9  -26   21 o    2.554000      0.7086000       2.131000 0.8572000       2.977000       1.129000     -0.8463000       1.417000
  1 1 1      -9  -26   22 o    2.809000      0.7446000       2.863000 0.9617000       2.754000       1.137000      0.1088000       1.489000
  1 1 1      -9  -26   23 o    2.199000      0.5935000       2.775000 0.9051000       1.623000      0.7681000       1.152000       1.187000
  1 1 1      -9  -26   24 o    2.844000      0.6424000       3.205000 0.8869000       2.484000      0.9295000      0.7205000       1.285000
  1 1 1      -9  -26   25 o    2.709000      0.6774000       2.338000 0.9150000       3.080000      0.9992000     -0.7420000       1.355000
  1 1 1      -9  -26   26 o    3.247000      0.6374000       3.815000 0.8414000       2.679000      0.9576000       1.136000       1.275000
  1 1 1      -9  -26   27 o    1.914000      0.6237000       2.119000 0.9663000       1.708000      0.7887000      0.4111000       1.247000
  1 1 1      -9  -25    1 o    6.631000      0.2402000       6.369000 0.3769000       6.894000      0.2979000     -0.5250000      0.4804000
  1 1 1      -9  -25    2 o    5.035000      0.2763000       4.913000 0.4163000       5.157000      0.3633000     -0.2433000      0.5526000
  1 1 1      -9  -25    3 o    1.416000      0.4234000       1.084000 0.5240000       1.747000      0.6652000     -0.6636000      0.8468000
  1 1 1      -9  -25    4 o    3.848000      0.3078000       3.597000 0.4742000       4.100000      0.3925000     -0.5029000      0.6156000
  1 1 1      -9  -25    5 o    2.468000      0.4605000       2.071000 0.7013000       2.864000      0.5970000     -0.7937000      0.9210000
  1 1 1      -9  -25    6 o    4.128000      0.3193000       4.039000 0.4684000       4.216000      0.4341000     -0.1765000      0.6386000
  1 1 1      -9  -25    7 o    2.432000      0.4836000       1.999000 0.7018000       2.865000      0.6656000     -0.8659000      0.9672000
  1 1 1      -9  -25    8 o    2.558000      0.4490000       2.393000 0.6373000       2.722000      0.6326000     -0.3288000      0.8980000
  1 1 1      -9  -25    9 o    7.392000      0.2298000       7.207000 0.3264000       7.576000      0.3236000     -0.3691000      0.4596000
  1 1 1      -9  -25   10 o    3.660000      0.4012000       3.402000 0.5763000       3.918000      0.5583000     -0.5159000      0.8024000
  1 1 1      -9  -25   11 o    2.785000      0.5005000       3.058000 0.6720000       2.511000      0.7419000      0.5474000       1.001000
  1 1 1      -9  -25   12 o    4.875000      0.3144000       5.125000 0.4085000       4.626000      0.4781000      0.4998000      0.6289000
  1 1 1      -9  -25   13 o    2.387000      0.5120000       2.679000 0.6767000       2.094000      0.7687000      0.5857000       1.024000
  1 1 1      -9  -25   14 o    6.034000      0.2949000       5.834000 0.4189000       6.234000      0.4153000     -0.4007000      0.5899000
  1 1 1      -9  -25   15 o    4.615000      0.3646000       4.446000 0.5205000       4.784000      0.5108000     -0.3378000      0.7293000
  1 1 1      -9  -25   16 o    5.139000      0.3343000       5.117000 0.5161000       5.162000      0.4251000     -0.4538000E-01  0.6686000
  1 1 1      -9  -25   17 o    3.954000      0.4692000       4.489000 0.5691000       3.419000      0.7461000       1.070000      0.9384000
  1 1 1      -9  -25   18 o    2.894000      0.7643000       3.373000 1.203000       2.415000      0.9436000      0.9577000       1.529000
  1 1 1      -9  -25   19 o    2.617000      0.7402000       2.711000 1.130000       2.524000      0.9568000      0.1880000       1.480000
  1 1 1      -9  -25   20 o    2.434000      0.5765000       2.836000 0.8177000       2.033000      0.8130000      0.8026000       1.153000
  1 1 1      -9  -25   21 o    3.913000      0.5198000       4.302000 0.6290000       3.524000      0.8277000      0.7780000       1.040000
  1 1 1      -9  -25   22 o    3.273000      0.6162000       3.553000 0.7914000       2.992000      0.9448000      0.5610000       1.232000
  1 1 1      -9  -25   23 o    3.454000      0.6936000       2.755000 0.7870000       4.153000       1.142000      -1.399000       1.387000
  1 1 1      -9  -25   24 o    2.855000      0.7423000       3.117000 0.9839000       2.592000       1.112000      0.5248000       1.485000
  1 1 1      -9  -25   25 o    1.578000      0.5211000       1.468000 0.7183000       1.688000      0.7551000     -0.2201000       1.042000
  1 1 1      -9  -25   26 o    2.361000      0.6377000       2.105000 0.8561000       2.617000      0.9454000     -0.5119000       1.275000
  1 1 1      -9  -25   27 o    2.809000      0.6826000       2.751000 0.9432000       2.866000      0.9869000     -0.1152000       1.365000
  1 1 1      -9  -25   28 o    2.736000      0.7415000       3.045000 1.126000       2.427000      0.9649000      0.6181000       1.483000
  1 1 1      -9  -24    1 o    4.591000      0.2808000       4.373000 0.4472000       4.809000      0.3398000     -0.4356000      0.5616000
  1 1 1      -9  -24    2 o    5.003000      0.2453000       5.059000 0.3563000       4.948000      0.3373000      0.1110000      0.4906000
  1 1 1      -9  -24    3 o    3.795000      0.2928000       3.626000 0.4385000       3.964000      0.3881000     -0.3370000      0.5856000
  1 1 1      -9  -24    4 o    1.388000      0.4117000       1.002000 0.4871000       1.774000      0.6639000     -0.7718000      0.8234000
  1 1 1      -9  -24    5 o    2.912000      0.4194000       3.069000 0.5466000       2.754000      0.6363000      0.3149000      0.8388000
  1 1 1      -9  -24    6 o    2.873000      0.3963000       3.329000 0.4637000       2.417000      0.6428000      0.9113000      0.7926000
  1 1 1      -9  -24    7 o    2.464000      0.4621000       2.328000 0.6435000       2.600000      0.6633000     -0.2718000      0.9242000
  1 1 1      -9  -24    8 o    6.803000      0.2262000       6.702000 0.3235000       6.905000      0.3162000     -0.2032000      0.4523000
  1 1 1      -9  -24    9 o    4.115000      0.3191000       4.112000 0.4194000       4.118000      0.4811000     -0.6092000E-02  0.6383000
  1 1 1      -9  -24   10 o    3.612000      0.3949000       3.555000 0.5344000       3.669000      0.5817000     -0.1142000      0.7899000
  1 1 1      -9  -24   11 o    3.861000      0.3880000       4.184000 0.4846000       3.537000      0.6060000      0.6469000      0.7760000
  1 1 1      -9  -24   12 o    5.949000      0.2624000       5.872000 0.3658000       6.027000      0.3763000     -0.1552000      0.5248000
  1 1 1      -9  -24   13 o    6.305000      0.2588000       5.813000 0.3676000       6.797000      0.3644000     -0.9845000      0.5176000
  1 1 1      -9  -24   14 o    3.213000      0.4685000       2.438000 0.7221000       3.989000      0.5970000      -1.551000      0.9370000
  1 1 1      -9  -24   15 o    2.190000      0.5399000       2.015000 0.7332000       2.365000      0.7927000     -0.3502000       1.080000
  1 1 1      -9  -24   16 o    4.352000      0.5345000       4.352000 0.5345000                  ?              ?              ?              ?
  1 1 1      -9  -24   17 o    4.063000      0.4546000       4.711000 0.5396000       3.414000      0.7318000       1.297000      0.9092000
  1 1 1      -9  -24   18 o    3.770000      0.7092000                  ?       ?   3.770000      0.7092000                  ?              ?
  1 1 1      -9  -24   19 o    3.609000      0.5011000       3.193000 0.7182000       4.026000      0.6990000     -0.8330000       1.002000
  1 1 1      -9  -24   20 o    5.215000      0.3272000       4.452000 0.4494000       5.978000      0.4757000      -1.526000      0.6544000
  1 1 1      -9  -24   21 o    5.410000      0.5989000       6.212000 0.8784000       4.607000      0.8143000       1.605000       1.198000
  1 1 1      -9  -24   22 o    3.439000      0.8083000       3.840000 1.257000       3.039000       1.016000      0.8007000       1.617000
  1 1 1      -9  -24   23 o    2.549000      0.6282000       2.860000 0.8753000       2.239000      0.9015000      0.6216000       1.256000
  1 1 1      -9  -24   24 o    4.999000      0.4283000       4.908000 0.5658000       5.089000      0.6432000     -0.1811000      0.8566000
  1 1 1      -9  -24   25 o    2.764000      0.6106000       2.762000 0.8877000       2.765000      0.8386000     -0.3077000E-02   1.221000
  1 1 1      -9  -24   26 o    1.891000      0.6267000       1.989000 0.8951000       1.793000      0.8775000      0.1968000       1.253000
  1 1 1      -9  -24   27 o    2.956000      0.7817000       2.781000 1.026000       3.131000       1.180000     -0.3492000       1.563000
  1 1 1      -9  -24   28 o    1.754000      0.5601000       1.796000 0.8000000       1.712000      0.7842000      0.8457000E-01   1.120000
  1 1 1      -9  -24   29 o    2.090000      0.6571000       2.518000 1.065000       1.662000      0.7692000      0.8555000       1.314000
  1 1 1      -9  -23    1 f    4.570000      0.2520000       4.108000 0.3996000       5.032000      0.3073000     -0.9240000      0.5041000
  1 1 1      -9  -23    2 o    4.918000      0.2413000       5.015000 0.3498000       4.822000      0.3324000      0.1924000      0.4825000
  1 1 1      -9  -23    3 o    1.693000      0.4421000       1.824000 0.6389000       1.563000      0.6114000      0.2610000      0.8843000
  1 1 1      -9  -23    4 o    1.911000      0.4521000       1.996000 0.6450000       1.827000      0.6335000      0.1681000      0.9041000
  1 1 1      -9  -23    5 o    3.748000      0.2806000       3.583000 0.3981000       3.912000      0.3957000     -0.3290000      0.5613000
  1 1 1      -9  -23    6 o    6.648000      0.2182000       6.494000 0.3062000       6.803000      0.3108000     -0.3093000      0.4363000
  1 1 1      -9  -23    7 o    6.002000      0.2229000       6.086000 0.2943000       5.918000      0.3349000      0.1683000      0.4459000
  1 1 1      -9  -23    8 o    1.843000      0.4725000       2.141000 0.6836000       1.544000      0.6526000      0.5972000      0.9451000
  1 1 1      -9  -23    9 o    3.135000      0.4273000       4.054000 0.4506000       2.217000      0.7263000       1.837000      0.8547000
  1 1 1      -9  -23   10 o    6.711000      0.2487000       6.813000 0.3389000       6.609000      0.3640000      0.2040000      0.4973000
  1 1 1      -9  -23   11 o    3.477000      0.3822000       3.474000 0.5061000       3.480000      0.5729000     -0.6892000E-02  0.7644000
  1 1 1      -9  -23   12 o    1.884000      0.5003000       2.023000 0.7002000       1.744000      0.7149000      0.2789000       1.001000
  1 1 1      -9  -23   13 o    3.426000      0.4624000       2.586000 0.7474000       4.267000      0.5447000      -1.681000      0.9248000
  1 1 1      -9  -23   14 o    4.484000      0.3681000       4.115000 0.5474000       4.854000      0.4922000     -0.7390000      0.7361000
  1 1 1      -9  -23   15 o    8.484000      0.2502000       8.666000 0.3477000       8.301000      0.3598000      0.3642000      0.5004000
  1 1 1      -9  -23   16 o    3.756000      0.4491000       2.834000 0.7705000       4.677000      0.4616000      -1.843000      0.8982000
  1 1 1      -9  -23   17 o    2.174000      0.5549000       2.160000 0.7735000       2.189000      0.7958000     -0.2879000E-01   1.110000
  1 1 1      -9  -23   18 o    2.584000      0.5013000       1.974000 0.6742000       3.193000      0.7422000      -1.219000       1.003000
  1 1 1      -9  -23   19 o    3.904000      0.4732000       3.870000 0.6513000       3.938000      0.6868000     -0.6776000E-01  0.9465000
  1 1 1      -9  -23   20 f    6.384000      0.3211000       6.698000 0.4240000       6.070000      0.4824000      0.6283000      0.6422000
  1 1 1      -9  -23   21 o    6.569000      0.3179000       6.560000 0.4287000       6.579000      0.4697000     -0.1931000E-01  0.6359000
  1 1 1      -9  -23   22 o    5.531000      0.4018000       5.664000 0.5419000       5.398000      0.5933000      0.2654000      0.8036000
  1 1 1      -9  -23   23 o    4.125000      0.7076000       2.787000 1.195000       5.463000      0.7585000      -2.676000       1.415000
  1 1 1      -9  -23   24 o    5.154000      0.6832000       5.080000 1.100000       5.229000      0.8107000     -0.1490000       1.366000
  1 1 1      -9  -23   25 o    2.988000      0.6621000       2.764000 0.9053000       3.211000      0.9665000     -0.4475000       1.324000
  1 1 1      -9  -23   26 o    2.566000      0.6302000       2.483000 0.8601000       2.650000      0.9214000     -0.1674000       1.260000
  1 1 1      -9  -23   27 o    2.463000      0.6823000       2.690000 0.9169000       2.236000       1.011000      0.4534000       1.365000
  1 1 1      -9  -23   28 o    2.602000      0.7367000       2.940000 1.055000       2.263000       1.029000      0.6767000       1.473000
  1 1 1      -9  -23   29 o    2.388000      0.6800000       2.347000 0.9861000       2.428000      0.9366000     -0.8021000E-01   1.360000
  1 1 1      -9  -22    1 o    10.39000      0.1885000       10.14000 0.2717000       10.64000      0.2614000     -0.5043000      0.3771000
  1 1 1      -9  -22    2 o    6.510000      0.1853000       6.474000 0.2682000       6.547000      0.2556000     -0.7302000E-01  0.3705000
  1 1 1      -9  -22    3 f    2.499000      0.3753000       2.824000 0.4937000       2.175000      0.5655000      0.6493000      0.7507000
  1 1 1      -9  -22    4 o    4.361000      0.2365000       4.504000 0.3184000       4.218000      0.3497000      0.2857000      0.4729000
  1 1 1      -9  -22    5 o    3.709000      0.2635000       3.530000 0.3806000       3.888000      0.3646000     -0.3579000      0.5270000
  1 1 1      -9  -22    6 o    3.785000      0.2937000       3.955000 0.3809000       3.614000      0.4473000      0.3408000      0.5875000
  1 1 1      -9  -22    7 o    4.599000      0.2781000       4.230000 0.3963000       4.968000      0.3901000     -0.7385000      0.5561000
  1 1 1      -9  -22    8 o    4.859000      0.2669000       5.030000 0.3481000       4.688000      0.4047000      0.3417000      0.5338000
  1 1 1      -9  -22    9 o    2.110000      0.4736000       2.521000 0.6514000       1.700000      0.6876000      0.8217000      0.9472000
  1 1 1      -9  -22   10 o    1.299000      0.4094000       1.410000 0.5998000       1.188000      0.5574000      0.2220000      0.8188000
  1 1 1      -9  -22   11 o    5.646000      0.2760000       5.565000 0.3878000       5.726000      0.3927000     -0.1610000      0.5519000
  1 1 1      -9  -22   12 o    9.128000      0.2311000       9.327000 0.3274000       8.930000      0.3263000      0.3975000      0.4623000
  1 1 1      -9  -22   13 o    4.622000      0.3289000       4.375000 0.4698000       4.870000      0.4603000     -0.4944000      0.6577000
  1 1 1      -9  -22   14 o    4.345000      0.3598000       4.670000 0.4394000       4.021000      0.5700000      0.6488000      0.7197000
  1 1 1      -9  -22   15 o    10.54000      0.2400000       10.74000 0.3418000       10.33000      0.3369000      0.4091000      0.4800000
  1 1 1      -9  -22   16 f    4.135000      0.3885000       4.327000 0.5220000       3.944000      0.5756000      0.3823000      0.7771000
  1 1 1      -9  -22   17 o    5.364000      0.3118000       5.880000 0.3926000       4.848000      0.4845000       1.031000      0.6236000
  1 1 1      -9  -22   18 o    2.981000      0.5078000       2.086000 0.7659000       3.877000      0.6671000      -1.791000       1.016000
  1 1 1      -9  -22   19 o    1.688000      0.5072000       1.971000 0.7653000       1.404000      0.6658000      0.5673000       1.014000
  1 1 1      -9  -22   20 o    2.277000      0.5685000       2.183000 0.7636000       2.371000      0.8424000     -0.1887000       1.137000
  1 1 1      -9  -22   21 f    5.010000      0.4050000       5.557000 0.4827000       4.462000      0.6503000       1.096000      0.8099000
  1 1 1      -9  -22   22 o    7.633000      0.3027000       7.560000 0.4191000       7.705000      0.4369000     -0.1452000      0.6054000
  1 1 1      -9  -22   23 o    1.923000      0.5708000       2.120000 0.8368000       1.726000      0.7764000      0.3940000       1.142000
  1 1 1      -9  -22   24 o    3.117000      0.6035000       2.758000 0.8390000       3.475000      0.8677000     -0.7168000       1.207000
  1 1 1      -9  -22   25 o    4.671000      0.7863000       4.125000 1.298000       5.217000      0.8873000      -1.092000       1.573000
  1 1 1      -9  -22   26 o    2.774000      0.7622000       2.441000 1.091000       3.107000       1.065000     -0.6664000       1.524000
  1 1 1      -9  -22   27 o    2.409000      0.6200000       1.851000 0.7995000       2.966000      0.9479000      -1.116000       1.240000
  1 1 1      -9  -22   28 o    3.185000      0.6317000       3.761000 0.8298000       2.610000      0.9526000       1.151000       1.263000
  1 1 1      -9  -22   29 o    2.598000      0.7439000       2.210000 0.9454000       2.987000       1.149000     -0.7776000       1.488000
  1 1 1      -9  -22   30 o    2.300000      0.7018000       2.361000 0.9816000       2.238000       1.003000      0.1233000       1.404000
  1 1 1      -9  -21    1 o    4.000000      0.2624000       4.044000 0.3497000       3.956000      0.3914000      0.8887000E-01  0.5249000
  1 1 1      -9  -21    2 f    4.086000      0.2377000       4.052000 0.3310000       4.119000      0.3413000     -0.6750000E-01  0.4754000
  1 1 1      -9  -21    3 o    4.881000      0.2116000       4.982000 0.2880000       4.780000      0.3101000      0.2025000      0.4232000
  1 1 1      -9  -21    4 o    3.377000      0.2730000       3.340000 0.3698000       3.415000      0.4017000     -0.7473000E-01  0.5460000
  1 1 1      -9  -21    5 o    5.629000      0.2067000       5.322000 0.2946000       5.937000      0.2901000     -0.6149000      0.4135000
  1 1 1      -9  -21    6 o    3.152000      0.3492000       3.795000 0.3771000       2.509000      0.5878000       1.286000      0.6983000
  1 1 1      -9  -21    7 f    5.215000      0.2449000       4.938000 0.3572000       5.491000      0.3352000     -0.5532000      0.4898000
  1 1 1      -9  -21    8 o    4.873000      0.2649000       4.856000 0.3592000       4.890000      0.3894000     -0.3353000E-01  0.5298000
  1 1 1      -9  -21    9 o    4.740000      0.2631000       4.998000 0.3472000       4.483000      0.3954000      0.5151000      0.5262000
  1 1 1      -9  -21   10 o    1.682000      0.4691000       1.603000 0.6503000       1.761000      0.6763000     -0.1586000      0.9382000
  1 1 1      -9  -21   11 o    7.282000      0.2312000       7.410000 0.3242000       7.154000      0.3297000      0.2562000      0.4624000
  1 1 1      -9  -21   12 o    3.485000      0.3967000       3.633000 0.4927000       3.336000      0.6218000      0.2970000      0.7933000
  1 1 1      -9  -21   13 o    13.34000      0.2447000       13.56000 0.3511000       13.12000      0.3409000      0.4414000      0.4894000
  1 1 1      -9  -21   14 o    8.197000      0.2460000       8.000000 0.3484000       8.393000      0.3475000     -0.3930000      0.4921000
  1 1 1      -9  -21   15 o    2.607000      0.5182000       2.620000 0.7092000       2.594000      0.7559000      0.2608000E-01   1.036000
  1 1 1      -9  -21   16 o    10.60000      0.2409000       10.86000 0.3482000       10.34000      0.3331000      0.5213000      0.4819000
  1 1 1      -9  -21   17 o    8.478000      0.2443000       8.799000 0.3486000       8.156000      0.3424000      0.6434000      0.4886000
  1 1 1      -9  -21   18 o    2.929000      0.4906000       3.754000 0.5785000       2.105000      0.7925000       1.649000      0.9812000
  1 1 1      -9  -21   19 o    8.630000      0.2656000       8.528000 0.3738000       8.731000      0.3773000     -0.2030000      0.5311000
  1 1 1      -9  -21   20 o    12.92000      0.2554000       12.77000 0.3631000       13.07000      0.3592000     -0.3053000      0.5107000
  1 1 1      -9  -21   21 o    5.108000      0.3875000       5.723000 0.4437000       4.493000      0.6353000       1.230000      0.7750000
  1 1 1      -9  -21   22 o    9.491000      0.2699000       9.773000 0.3638000       9.209000      0.3987000      0.5644000      0.5397000
  1 1 1      -9  -21   23 o    3.680000      0.5202000       3.417000 0.7301000       3.943000      0.7412000     -0.5259000       1.040000
  1 1 1      -9  -21   24 o    2.643000      0.5596000       1.707000 0.7427000       3.578000      0.8372000      -1.870000       1.119000
  1 1 1      -9  -21   25 o    2.429000      0.5921000       2.923000 0.8426000       1.935000      0.8320000      0.9878000       1.184000
  1 1 1      -9  -21   26 o    2.534000      0.6376000       2.362000 0.8597000       2.707000      0.9418000     -0.3450000       1.275000
  1 1 1      -9  -21   27 f    2.344000      0.7288000       2.069000 0.9832000       2.620000       1.076000     -0.5511000       1.458000
  1 1 1      -9  -21   28 o    1.895000      0.6192000       1.420000 0.6774000       2.369000       1.037000     -0.9492000       1.238000
  1 1 1      -9  -21   29 o    4.238000      0.5364000       4.285000 0.6746000       4.191000      0.8342000      0.9430000E-01   1.073000
  1 1 1      -9  -21   30 o    2.245000      0.6302000       2.266000 0.8881000       2.224000      0.8944000      0.4231000E-01   1.260000
  1 1 1      -9  -21   31 o    3.021000      0.7650000       2.460000 1.008000       3.581000       1.152000      -1.120000       1.530000
  1 1 1      -9  -20    1 o    2.890000      0.3007000       2.861000 0.4463000       2.920000      0.4030000     -0.5908000E-01  0.6013000
  1 1 1      -9  -20    2 o    4.985000      0.1923000       4.677000 0.2783000       5.293000      0.2656000     -0.6156000      0.3847000
  1 1 1      -9  -20    3 f    3.990000      0.2688000       4.137000 0.2888000       3.844000      0.4533000      0.2928000      0.5375000
  1 1 1      -9  -20    4 o    3.613000      0.3371000       3.608000 0.4262000       3.618000      0.5223000     -0.9779000E-02  0.6741000
  1 1 1      -9  -20    5 o    5.400000      0.2712000       5.796000 0.3189000       5.005000      0.4387000      0.7908000      0.5424000
  1 1 1      -9  -20    6 o    5.356000      0.2800000       5.504000 0.3386000       5.208000      0.4461000      0.2963000      0.5600000
  1 1 1      -9  -20    7 o    1.713000      0.4730000       1.549000 0.5966000       1.878000      0.7343000     -0.3289000      0.9461000
  1 1 1      -9  -20    8 o    8.098000      0.2105000       8.258000 0.2903000       7.938000      0.3049000      0.3201000      0.4210000
  1 1 1      -9  -20    9 o    5.549000      0.2527000       5.426000 0.3536000       5.671000      0.3613000     -0.2446000      0.5055000
  1 1 1      -9  -20   10 o    3.812000      0.3301000       4.000000 0.4291000       3.623000      0.5018000      0.3765000      0.6603000
  1 1 1      -9  -20   11 f    4.497000      0.2998000       4.620000 0.4030000       4.374000      0.4440000      0.2460000      0.5996000
  1 1 1      -9  -20   12 o    1.670000      0.4578000       1.260000 0.5771000       2.081000      0.7108000     -0.8206000      0.9156000
  1 1 1      -9  -20   13 o    8.201000      0.2313000       8.373000 0.3215000       8.028000      0.3327000      0.3448000      0.4627000
  1 1 1      -9  -20   14 o    5.158000      0.3013000       4.904000 0.4387000       5.413000      0.4130000     -0.5093000      0.6025000
  1 1 1      -9  -20   15 o    10.13000      0.2315000       9.949000 0.3264000       10.30000      0.3283000     -0.3554000      0.4630000
  1 1 1      -9  -20   16 o    8.616000      0.2416000       8.792000 0.3362000       8.439000      0.3471000      0.3526000      0.4832000
  1 1 1      -9  -20   17 o    5.959000      0.4294000       5.959000 0.4294000                  ?              ?              ?              ?
  1 1 1      -9  -20   18 o    1.932000      0.5144000       1.476000 0.6587000       2.387000      0.7903000     -0.9111000       1.029000
  1 1 1      -9  -20   19 o    2.076000      0.7801000                  ?       ?   2.076000      0.7801000                  ?              ?
  1 1 1      -9  -20   20 o    6.059000      0.2990000       6.291000 0.4029000       5.826000      0.4420000      0.4648000      0.5981000
  1 1 1      -9  -20   21 o    3.733000      0.4857000       3.479000 0.6975000       3.988000      0.6762000     -0.5085000      0.9715000
  1 1 1      -9  -20   22 o    2.457000      0.5782000       2.219000 0.7836000       2.696000      0.8504000     -0.4768000       1.156000
  1 1 1      -9  -20   23 o    3.441000      0.5705000       3.640000 0.7262000       3.242000      0.8801000      0.3973000       1.141000
  1 1 1      -9  -20   24 o    2.381000      0.5940000       2.290000 0.8123000       2.472000      0.8668000     -0.1822000       1.188000
  1 1 1      -9  -20   25 o    3.368000      0.5878000       3.787000 0.7314000       2.949000      0.9205000      0.8381000       1.176000
  1 1 1      -9  -20   26 o    3.941000      0.5731000       3.483000 0.8547000       4.400000      0.7638000     -0.9167000       1.146000
  1 1 1      -9  -20   27 o    4.023000      0.5662000       3.697000 0.8180000       4.350000      0.7830000     -0.6532000       1.132000
  1 1 1      -9  -20   28 o    3.190000      0.8098000       2.680000 1.130000       3.701000       1.161000      -1.021000       1.620000
  1 1 1      -9  -20   30 o    2.875000      0.6163000       3.507000 0.8359000       2.242000      0.9059000       1.265000       1.233000
  1 1 1      -9  -20   31 o    2.575000      0.6446000       2.913000 0.9242000       2.237000      0.8989000      0.6761000       1.289000
  1 1 1      -9  -20   32 o    2.848000      0.7714000       2.693000 1.039000       3.003000       1.141000     -0.3098000       1.543000
  1 1 1      -9  -19    1 o    6.205000      0.2749000       6.346000 0.4056000       6.064000      0.3713000      0.2815000      0.5499000
  1 1 1      -9  -19    2 o    3.898000      0.4019000       3.511000 0.6837000       4.285000      0.4228000     -0.7744000      0.8039000
  1 1 1      -9  -19    3 o    4.593000      0.2685000       4.329000 0.3068000       4.858000      0.4408000     -0.5289000      0.5371000
  1 1 1      -9  -19    4 o    2.372000      0.3681000       2.488000 0.4977000       2.256000      0.5424000      0.2324000      0.7361000
  1 1 1      -9  -19    5 o    2.622000      0.3564000       2.959000 0.4344000       2.285000      0.5650000      0.6742000      0.7127000
  1 1 1      -9  -19    6 o    4.565000      0.2335000       5.086000 0.3041000       4.044000      0.3546000       1.042000      0.4671000
  1 1 1      -9  -19    7 o    5.158000      0.2297000       5.387000 0.3089000       4.928000      0.3400000      0.4592000      0.4594000
  1 1 1      -9  -19    8 o    3.007000      0.4609000       3.465000 0.5150000       2.549000      0.7646000      0.9165000      0.9218000
  1 1 1      -9  -19    9 o    6.467000      0.2881000       6.516000 0.3566000       6.419000      0.4525000      0.9645000E-01  0.5761000
  1 1 1      -9  -19   10 o    3.985000      0.4183000       3.812000 0.4812000       4.159000      0.6842000     -0.3469000      0.8365000
  1 1 1      -9  -19   11 o    2.116000      0.4533000       2.666000 0.6222000       1.565000      0.6593000       1.101000      0.9066000
  1 1 1      -9  -19   12 o    5.177000      0.3004000       5.855000 0.3575000       4.498000      0.4827000       1.357000      0.6007000
  1 1 1      -9  -19   13 o    3.256000      0.4416000       3.457000 0.5791000       3.056000      0.6668000      0.4004000      0.8832000
  1 1 1      -9  -19   14 o    9.231000      0.2299000       9.076000 0.3217000       9.385000      0.3285000     -0.3091000      0.4598000
  1 1 1      -9  -19   15 o    5.708000      0.2803000       5.627000 0.3910000       5.789000      0.4016000     -0.1623000      0.5605000
  1 1 1      -9  -19   16 o    5.888000      0.2833000       6.281000 0.3693000       5.496000      0.4298000      0.7847000      0.5666000
  1 1 1      -9  -19   17 o    6.913000      0.3465000       6.913000 0.3465000                  ?              ?              ?              ?
  1 1 1      -9  -19   18 o    2.395000      0.5278000       2.142000 0.7248000       2.648000      0.7674000     -0.5067000       1.056000
  1 1 1      -9  -19   19 o    9.080000      0.3664000                  ?       ?   9.080000      0.3664000                  ?              ?
  1 1 1      -9  -19   20 o    4.248000      0.4166000       4.608000 0.5266000       3.888000      0.6457000      0.7201000      0.8332000
  1 1 1      -9  -19   21 o    3.879000      0.4206000       3.974000 0.5555000       3.783000      0.6315000      0.1913000      0.8411000
  1 1 1      -9  -19   22 o    3.069000      0.5519000       2.322000 0.8144000       3.816000      0.7450000      -1.494000       1.104000
  1 1 1      -9  -19   23 o    5.917000      0.3394000       5.584000 0.4736000       6.250000      0.4863000     -0.6662000      0.6788000
  1 1 1      -9  -19   24 o    3.669000      0.5639000       3.767000 0.7293000       3.571000      0.8602000      0.1965000       1.128000
  1 1 1      -9  -19   25 o    2.350000      0.6162000       2.156000 0.8225000       2.544000      0.9179000     -0.3884000       1.232000
  1 1 1      -9  -19   26 f    1.782000      0.5594000       1.618000 0.7369000       1.947000      0.8419000     -0.3290000       1.119000
  1 1 1      -9  -19   27 o    4.773000      0.4834000       4.053000 0.7474000       5.492000      0.6133000      -1.439000      0.9668000
  1 1 1      -9  -19   28 o    1.805000      0.5522000       2.228000 0.8738000       1.383000      0.6756000      0.8445000       1.104000
  1 1 1      -9  -19   29 o    2.913000      0.6321000       2.277000 1.030000       3.549000      0.7325000      -1.272000       1.264000
  1 1 1      -9  -19   30 o    3.557000      0.8191000       3.518000 1.195000       3.596000       1.121000     -0.7775000E-01   1.638000
  1 1 1      -9  -19   31 o    2.404000      0.6485000       2.337000 0.9176000       2.471000      0.9167000     -0.1341000       1.297000
  1 1 1      -9  -19   32 o    3.314000      0.6537000       3.051000 0.9437000       3.577000      0.9049000     -0.5258000       1.307000
  1 1 1      -9  -18    1 o    1.772000      0.3681000       1.998000 0.4944000       1.545000      0.5454000      0.4532000      0.7361000
  1 1 1      -9  -18    2 o    4.801000      0.1989000       4.757000 0.2834000       4.844000      0.2791000     -0.8659000E-01  0.3978000
  1 1 1      -9  -18    3 o    7.717000      0.2041000       7.727000 0.3207000       7.706000      0.2526000      0.2074000E-01  0.4083000
  1 1 1      -9  -18    4 o    2.484000      0.5250000       2.828000 0.7868000       2.140000      0.6952000      0.6881000       1.050000
  1 1 1      -9  -18    5 o    6.374000      0.3226000       6.325000 0.5071000       6.423000      0.3990000     -0.9868000E-01  0.6452000
  1 1 1      -9  -18    6 o    4.382000      0.3914000       4.541000 0.6176000       4.224000      0.4809000      0.3173000      0.7828000
  1 1 1      -9  -18    7 o    6.393000      0.3480000       5.856000 0.5710000       6.930000      0.3980000      -1.074000      0.6960000
  1 1 1      -9  -18    8 o    1.747000      0.4359000       1.500000 0.5878000       1.994000      0.6439000     -0.4942000      0.8718000
  1 1 1      -9  -18    9 o    1.901000      0.4467000       2.179000 0.6255000       1.623000      0.6380000      0.5559000      0.8935000
  1 1 1      -9  -18   10 o    4.889000      0.2584000       4.872000 0.3592000       4.905000      0.3716000     -0.3293000E-01  0.5169000
  1 1 1      -9  -18   11 o    3.052000      0.5112000       3.275000 0.5607000       2.828000      0.8550000      0.4471000       1.022000
  1 1 1      -9  -18   12 o    3.000000      0.5052000       2.414000 0.6896000       3.587000      0.7384000      -1.173000       1.010000
  1 1 1      -9  -18   13 o    7.471000      0.2985000       7.300000 0.3785000       7.642000      0.4616000     -0.3420000      0.5969000
  1 1 1      -9  -18   14 o    13.78000      0.2436000       13.77000 0.3443000       13.79000      0.3447000     -0.1731000E-01  0.4871000
  1 1 1      -9  -18   15 o    8.020000      0.2381000       7.644000 0.3337000       8.397000      0.3397000     -0.7535000      0.4762000
  1 1 1      -9  -18   16 o    4.844000      0.3167000       4.585000 0.4547000       5.104000      0.4410000     -0.5185000      0.6335000
  1 1 1      -9  -18   17 o    2.210000      0.4888000       2.783000 0.6851000       1.637000      0.6974000       1.147000      0.9776000
  1 1 1      -9  -18   18 o    4.034000      0.4201000       3.326000 0.6715000       4.741000      0.5049000      -1.415000      0.8402000
  1 1 1      -9  -18   19 o    10.57000      0.2496000       10.36000 0.3577000       10.79000      0.3482000     -0.4252000      0.4992000
  1 1 1      -9  -18   20 o    5.692000      0.3180000       5.832000 0.4347000       5.552000      0.4641000      0.2804000      0.6359000
  1 1 1      -9  -18   21 o    2.988000      0.5345000       2.699000 0.7742000       3.278000      0.7372000     -0.5788000       1.069000
  1 1 1      -9  -18   22 o    5.579000      0.3310000       5.293000 0.4534000       5.864000      0.4824000     -0.5713000      0.6621000
  1 1 1      -9  -18   23 o    3.275000      0.5323000       3.710000 0.6631000       2.840000      0.8328000      0.8705000       1.065000
  1 1 1      -9  -18   24 o    1.727000      0.5431000       1.553000 0.7096000       1.901000      0.8223000     -0.3482000       1.086000
  1 1 1      -9  -18   25 o    2.500000      0.6180000       2.565000 0.8664000       2.435000      0.8814000      0.1308000       1.236000
  1 1 1      -9  -18   26 o    6.146000      0.3451000       5.634000 0.5062000       6.658000      0.4693000      -1.024000      0.6903000
  1 1 1      -9  -18   27 o    2.183000      0.6114000       1.861000 0.7999000       2.504000      0.9247000     -0.6434000       1.223000
  1 1 1      -9  -18   28 o    5.005000      0.4786000       5.329000 0.5931000       4.682000      0.7513000      0.6463000      0.9572000
  1 1 1      -9  -18   29 o    2.134000      0.5984000       2.558000 0.9031000       1.711000      0.7853000      0.8466000       1.197000
  1 1 1      -9  -18   30 o    2.708000      0.6400000       2.201000 0.8435000       3.215000      0.9627000      -1.014000       1.280000
  1 1 1      -9  -18   31 o    4.587000      0.7457000       4.729000 1.105000       4.445000       1.002000      0.2840000       1.491000
  1 1 1      -9  -18   32 o    2.161000      0.6270000       1.887000 0.8337000       2.435000      0.9367000     -0.5483000       1.254000
  1 1 1      -9  -18   33 o    2.877000      0.6671000       2.854000 0.9335000       2.900000      0.9532000     -0.4567000E-01   1.334000
  1 1 1      -9  -17    1 o   0.9860000      0.3183000       1.145000 0.4968000      0.8272000      0.3980000      0.3174000      0.6366000
  1 1 1      -9  -17    2 o    2.387000      0.3808000       2.610000 0.5331000       2.164000      0.5438000      0.4457000      0.7616000
  1 1 1      -9  -17    3 o    1.795000      0.4069000       1.901000 0.5659000       1.689000      0.5850000      0.2116000      0.8139000
  1 1 1      -9  -17    4 o    9.137000      0.1843000       9.189000 0.2633000       9.086000      0.2580000      0.1026000      0.3687000
  1 1 1      -9  -17    5 o    12.52000      0.2090000       12.53000 0.2948000       12.50000      0.2962000      0.3089000E-01  0.4179000
  1 1 1      -9  -17    6 o    6.725000      0.2037000       6.808000 0.2871000       6.642000      0.2891000      0.1669000      0.4074000
  1 1 1      -9  -17    7 o    5.834000      0.2155000       5.642000 0.3056000       6.026000      0.3041000     -0.3837000      0.4311000
  1 1 1      -9  -17    8 o    2.747000      0.5900000       2.864000 0.8939000       2.631000      0.7702000      0.2330000       1.180000
  1 1 1      -9  -17    9 o    3.415000      0.5172000       3.349000 0.8298000       3.481000      0.6177000     -0.1320000       1.034000
  1 1 1      -9  -17   11 o    3.647000      0.3393000       3.370000 0.4828000       3.925000      0.4768000     -0.5548000      0.6786000
  1 1 1      -9  -17   12 o    7.835000      0.2222000       8.060000 0.3110000       7.609000      0.3174000      0.4505000      0.4444000
  1 1 1      -9  -17   13 o    1.653000      0.4527000       1.667000 0.6524000       1.640000      0.6277000      0.2687000E-01  0.9053000
  1 1 1      -9  -17   14 o    3.009000      0.5461000       2.318000 0.7487000       3.700000      0.7952000      -1.382000       1.092000
  1 1 1      -9  -17   15 o    4.313000      0.4804000       4.806000 0.5050000       3.821000      0.8175000      0.9850000      0.9609000
  1 1 1      -9  -17   16 o    3.149000      0.4834000       3.198000 0.6762000       3.101000      0.6911000      0.9714000E-01  0.9669000
  1 1 1      -9  -17   17 o    5.837000      0.2859000       5.834000 0.3980000       5.840000      0.4106000     -0.6515000E-02  0.5718000
  1 1 1      -9  -17   18 o    6.137000      0.2811000       6.361000 0.3791000       5.912000      0.4151000      0.4492000      0.5622000
  1 1 1      -9  -17   19 o    4.870000      0.3457000       4.637000 0.4784000       5.103000      0.4993000     -0.4659000      0.6915000
  1 1 1      -9  -17   20 o    7.737000      0.2717000       7.888000 0.3810000       7.587000      0.3873000      0.3009000      0.5433000
  1 1 1      -9  -17   21 o    7.675000      0.2692000       7.931000 0.3745000       7.419000      0.3868000      0.5116000      0.5383000
  1 1 1      -9  -17   22 o    6.198000      0.3285000       6.702000 0.4253000       5.695000      0.5008000       1.008000      0.6571000
  1 1 1      -9  -17   23 o    6.539000      0.3003000       6.973000 0.3905000       6.105000      0.4562000      0.8681000      0.6005000
  1 1 1      -9  -17   24 o    6.528000      0.3281000       6.428000 0.4539000       6.628000      0.4738000     -0.1997000      0.6561000
  1 1 1      -9  -17   25 o    2.184000      0.6088000       2.157000 0.8477000       2.211000      0.8740000     -0.5425000E-01   1.218000
  1 1 1      -9  -17   26 o    8.741000      0.2985000       8.870000 0.4144000       8.612000      0.4298000      0.2579000      0.5970000
  1 1 1      -9  -17   27 o    2.121000      0.6108000       2.214000 0.8632000       2.028000      0.8645000      0.1854000       1.222000
  1 1 1      -9  -17   28 o    2.269000      0.6390000       2.108000 0.8653000       2.430000      0.9405000     -0.3221000       1.278000
  1 1 1      -9  -17   29 o    3.149000      0.6555000       3.408000 0.8801000       2.891000      0.9718000      0.5174000       1.311000
  1 1 1      -9  -17   30 o    3.081000      0.6678000       2.640000 0.9523000       3.523000      0.9364000     -0.8833000       1.336000
  1 1 1      -9  -17   31 o    4.905000      0.4799000       4.428000 0.7244000       5.382000      0.6296000     -0.9534000      0.9598000
  1 1 1      -9  -17   32 o    2.802000      0.7576000       2.508000 1.078000       3.095000       1.065000     -0.5876000       1.515000
  1 1 1      -9  -17   33 o    2.157000      0.6149000       2.420000 0.9049000       1.894000      0.8328000      0.5256000       1.230000
  1 1 1      -9  -16    1 o    5.409000      0.1732000       5.431000 0.2468000       5.386000      0.2431000      0.4461000E-01  0.3465000
  1 1 1      -9  -16    2 o    13.83000      0.2126000       14.05000 0.3053000       13.61000      0.2960000      0.4416000      0.4252000
  1 1 1      -9  -16    3 o    3.977000      0.2321000       3.976000 0.3363000       3.978000      0.3201000     -0.1581000E-02  0.4643000
  1 1 1      -9  -16    4 f    12.93000      0.2093000       13.30000 0.3010000       12.56000      0.2909000      0.7348000      0.4186000
  1 1 1      -9  -16    5 o    3.326000      0.2809000       3.435000 0.3727000       3.217000      0.4204000      0.2173000      0.5619000
  1 1 1      -9  -16    6 o    6.881000      0.1975000       6.830000 0.2742000       6.931000      0.2843000     -0.1001000      0.3950000
  1 1 1      -9  -16    7 o    1.892000      0.4467000       1.950000 0.6348000       1.835000      0.6285000      0.1147000      0.8934000
  1 1 1      -9  -16    8 o    7.006000      0.2044000       7.240000 0.2885000       6.771000      0.2896000      0.4696000      0.4088000
  1 1 1      -9  -16    9 o    1.857000      0.4425000       1.513000 0.6240000       2.200000      0.6276000     -0.6874000      0.8850000
  1 1 1      -9  -16   10 o    8.352000      0.2830000       8.402000 0.4768000       8.302000      0.3049000      0.1001000      0.5660000
  1 1 1      -9  -16   11 o    2.700000      0.5733000       2.964000 0.8604000       2.437000      0.7580000      0.5266000       1.147000
  1 1 1      -9  -16   12 o    3.026000      0.5907000       2.622000 0.9371000       3.430000      0.7193000     -0.8080000       1.181000
  1 1 1      -9  -16   13 o    3.808000      0.3460000       4.001000 0.4497000       3.615000      0.5259000      0.3863000      0.6919000
  1 1 1      -9  -16   14 o    7.625000      0.2361000       8.240000 0.3207000       7.011000      0.3466000       1.229000      0.4722000
  1 1 1      -9  -16   15 f    6.994000      0.3175000       7.070000 0.3309000       6.917000      0.5421000      0.1529000      0.6351000
  1 1 1      -9  -16   16 o    5.791000      0.3824000       5.623000 0.4817000       5.959000      0.5941000     -0.3358000      0.7648000
  1 1 1      -9  -16   17 o    9.127000      0.3265000       9.412000 0.4240000       8.842000      0.4966000      0.5701000      0.6530000
  1 1 1      -9  -16   18 o    2.114000      0.7498000       2.114000 0.7498000                  ?              ?              ?              ?
  1 1 1      -9  -16   19 o    7.584000      0.2582000       7.802000 0.3515000       7.367000      0.3784000      0.4351000      0.5164000
  1 1 1      -9  -16   20 o    6.191000      0.4379000                  ?       ?   6.191000      0.4379000                  ?              ?
  1 1 1      -9  -16   21 o    11.62000      0.2462000       11.16000 0.3488000       12.09000      0.3475000     -0.9330000      0.4924000
  1 1 1      -9  -16   22 o    2.868000      0.5510000       3.027000 0.7485000       2.708000      0.8088000      0.3187000       1.102000
  1 1 1      -9  -16   23 o    3.660000      0.4898000       3.709000 0.6672000       3.612000      0.7174000      0.9682000E-01  0.9797000
  1 1 1      -9  -16   24 o    6.728000      0.3177000       6.439000 0.4477000       7.018000      0.4509000     -0.5787000      0.6354000
  1 1 1      -9  -16   25 o    3.116000      0.5301000       4.093000 0.6658000       2.139000      0.8252000       1.954000       1.060000
  1 1 1      -9  -16   26 o    8.842000      0.2928000       8.579000 0.4169000       9.105000      0.4112000     -0.5256000      0.5856000
  1 1 1      -9  -16   27 f    2.747000      0.6468000       2.756000 0.8992000       2.739000      0.9300000      0.1749000E-01   1.294000
  1 1 1      -9  -16   28 o    6.094000      0.3823000       5.831000 0.5517000       6.357000      0.5295000     -0.5263000      0.7646000
  1 1 1      -9  -16   29 o    2.536000      0.6364000       2.124000 0.8650000       2.949000      0.9337000     -0.8244000       1.273000
  1 1 1      -9  -16   30 f    3.109000      0.6731000       3.738000 0.8419000       2.479000       1.050000       1.258000       1.346000
  1 1 1      -9  -16   31 o    4.797000      0.5381000       5.484000 0.6520000       4.109000      0.8563000       1.375000       1.076000
  1 1 1      -9  -16   32 o    4.280000      0.6886000       3.896000 1.233000       4.664000      0.6141000     -0.7684000       1.377000
  1 1 1      -9  -16   33 o    1.821000      0.6121000       1.754000 0.8469000       1.888000      0.8840000     -0.1335000       1.224000
  1 1 1      -9  -16   34 o    2.543000      0.6349000       2.065000 0.8672000       3.020000      0.9277000     -0.9557000       1.270000
  1 1 1      -9  -15    1 o    14.97000      0.2230000       15.33000 0.3215000       14.60000      0.3092000      0.7269000      0.4460000
  1 1 1      -9  -15    2 o    11.08000      0.1883000       11.32000 0.2703000       10.83000      0.2622000      0.4905000      0.3766000
  1 1 1      -9  -15    3 o    7.468000      0.1775000       7.510000 0.2530000       7.426000      0.2489000      0.8403000E-01  0.3549000
  1 1 1      -9  -15    4 o    14.28000      0.2221000       14.27000 0.3148000       14.29000      0.3135000     -0.1831000E-01  0.4443000
  1 1 1      -9  -15    5 o    4.245000      0.2340000       4.151000 0.3310000       4.338000      0.3309000     -0.1871000      0.4681000
  1 1 1      -9  -15    6 o    10.45000      0.1939000       10.42000 0.2745000       10.48000      0.2738000     -0.6058000E-01  0.3877000
  1 1 1      -9  -15    7 o    8.044000      0.1961000       8.158000 0.2801000       7.931000      0.2745000      0.2279000      0.3922000
  1 1 1      -9  -15    8 o    6.630000      0.2110000       6.689000 0.2954000       6.570000      0.3015000      0.1198000      0.4221000
  1 1 1      -9  -15    9 o    5.893000      0.2223000       5.991000 0.3016000       5.796000      0.3266000      0.1958000      0.4445000
  1 1 1      -9  -15   10 o    8.066000      0.2080000       7.905000 0.2983000       8.226000      0.2900000     -0.3208000      0.4160000
  1 1 1      -9  -15   11 o    7.731000      0.2180000       7.531000 0.3093000       7.931000      0.3073000     -0.3999000      0.4360000
  1 1 1      -9  -15   12 f    8.312000      0.2822000       8.683000 0.4677000       7.941000      0.3158000      0.7420000      0.5643000
  1 1 1      -9  -15   13 o    7.263000      0.3578000       6.972000 0.5571000       7.554000      0.4490000     -0.5823000      0.7155000
  1 1 1      -9  -15   14 o    2.490000      0.6391000       2.659000 0.9617000       2.320000      0.8420000      0.3389000       1.278000
  1 1 1      -9  -15   15 o    2.101000      0.5058000       2.085000 0.6984000       2.117000      0.7317000     -0.3241000E-01   1.012000
  1 1 1      -9  -15   16 o    1.615000      0.4758000       1.567000 0.6557000       1.662000      0.6896000     -0.9501000E-01  0.9516000
  1 1 1      -9  -15   17 o    3.696000      0.5320000       3.122000 0.7529000       4.270000      0.7519000      -1.148000       1.064000
  1 1 1      -9  -15   18 o    9.168000      0.4400000       9.168000 0.4400000                  ?              ?              ?              ?
  1 1 1      -9  -15   19 o    13.97000      0.2562000       13.91000 0.3653000       14.03000      0.3594000     -0.1125000      0.5125000
  1 1 1      -9  -15   20 o    11.65000      0.3503000                  ?       ?   11.65000      0.3503000                  ?              ?
  1 1 1      -9  -15   21 o    14.30000      0.2619000       14.14000 0.3726000       14.46000      0.3681000     -0.3144000      0.5238000
  1 1 1      -9  -15   22 o    5.924000      0.3260000       5.960000 0.4579000       5.888000      0.4640000      0.7187000E-01  0.6519000
  1 1 1      -9  -15   23 o    7.750000      0.2787000       7.974000 0.3784000       7.526000      0.4092000      0.4480000      0.5573000
  1 1 1      -9  -15   24 f    3.018000      0.5569000       2.763000 0.8016000       3.274000      0.7732000     -0.5103000       1.114000
  1 1 1      -9  -15   25 o    7.032000      0.3088000       7.046000 0.4350000       7.019000      0.4384000      0.2719000E-01  0.6176000
  1 1 1      -9  -15   26 o    3.102000      0.5715000       3.549000 0.7485000       2.656000      0.8637000      0.8931000       1.143000
  1 1 1      -9  -15   27 o    4.326000      0.4790000       4.498000 0.6537000       4.154000      0.7003000      0.3439000      0.9580000
  1 1 1      -9  -15   28 o    8.358000      0.3136000       8.731000 0.4140000       7.986000      0.4712000      0.7453000      0.6272000
  1 1 1      -9  -15   29 o    3.929000      0.5922000       4.238000 0.7847000       3.620000      0.8870000      0.6181000       1.184000
  1 1 1      -9  -15   30 o    2.990000      0.6749000       3.056000 0.9458000       2.925000      0.9629000      0.1308000       1.350000
  1 1 1      -9  -15   31 o    2.227000      0.6305000       2.130000 0.8669000       2.324000      0.9157000     -0.1933000       1.261000
  1 1 1      -9  -15   32 o    4.407000      0.5479000       4.489000 0.7804000       4.325000      0.7694000      0.1642000       1.096000
  1 1 1      -9  -15   33 o    6.077000      0.6376000       5.040000 1.063000       7.114000      0.7040000      -2.073000       1.275000
  1 1 1      -9  -15   34 o    5.295000      0.6656000       5.370000 0.9464000       5.221000      0.9361000      0.1488000       1.331000
  1 1 1      -9  -14    1 o    13.36000      0.2532000       13.58000 0.2990000       13.14000      0.4087000      0.4329000      0.5064000
  1 1 1      -9  -14    2 o    2.725000      0.3112000       2.509000 0.4674000       2.941000      0.4109000     -0.4315000      0.6224000
  1 1 1      -9  -14    3 o    11.77000      0.1962000       11.96000 0.2808000       11.57000      0.2741000      0.3942000      0.3924000
  1 1 1      -9  -14    4 o    7.886000      0.1788000       7.821000 0.2539000       7.950000      0.2517000     -0.1282000      0.3575000
  1 1 1      -9  -14    5 o    16.76000      0.2493000       16.77000 0.3529000       16.75000      0.3522000      0.2751000E-01  0.4986000
  1 1 1      -9  -14    6 o    14.15000      0.2234000       13.92000 0.3129000       14.37000      0.3188000     -0.4502000      0.4467000
  1 1 1      -9  -14    7 o    7.417000      0.1905000       7.561000 0.2655000       7.273000      0.2734000      0.2877000      0.3811000
  1 1 1      -9  -14    8 o    12.40000      0.2129000       12.27000 0.2988000       12.54000      0.3035000     -0.2637000      0.4259000
  1 1 1      -9  -14    9 o    13.80000      0.2278000       14.01000 0.3242000       13.59000      0.3200000      0.4205000      0.4555000
  1 1 1      -9  -14   10 o    10.13000      0.2053000       9.991000 0.2892000       10.26000      0.2914000     -0.2697000      0.4106000
  1 1 1      -9  -14   11 f    9.545000      0.2090000       9.789000 0.2939000       9.301000      0.2972000      0.4878000      0.4180000
  1 1 1      -9  -14   12 o    6.308000      0.2336000       6.265000 0.3290000       6.352000      0.3317000     -0.8665000E-01  0.4672000
  1 1 1      -9  -14   13 o    1.775000      0.4806000       1.938000 0.6824000       1.612000      0.6769000      0.3260000      0.9612000
  1 1 1      -9  -14   14 o    4.776000      0.4716000       4.791000 0.7210000       4.761000      0.6082000      0.2986000E-01  0.9433000
  1 1 1      -9  -14   15 o    4.800000      0.4850000       4.938000 0.7440000       4.663000      0.6223000      0.2748000      0.9700000
  1 1 1      -9  -14   16 o    2.961000      0.4921000       2.561000 0.7298000       3.361000      0.6603000     -0.7998000      0.9842000
  1 1 1      -9  -14   17 f    3.130000      0.4876000       3.164000 0.6597000       3.096000      0.7182000      0.6789000E-01  0.9752000
  1 1 1      -9  -14   18 o    13.73000      0.3460000       14.21000 0.4824000       13.26000      0.4961000      0.9543000      0.6919000
  1 1 1      -9  -14   19 o    11.90000      0.3366000       12.00000 0.4539000       11.80000      0.4973000      0.1950000      0.6733000
  1 1 1      -9  -14   20 o    12.39000      0.2522000       12.29000 0.3612000       12.48000      0.3520000     -0.1893000      0.5044000
  1 1 1      -9  -14   21 o    14.21000      0.2626000       14.30000 0.3747000       14.13000      0.3681000      0.1706000      0.5252000
  1 1 1      -9  -14   22 o    8.289000      0.2652000       8.491000 0.3683000       8.087000      0.3818000      0.4041000      0.5305000
  1 1 1      -9  -14   23 o    3.593000      0.4820000       3.696000 0.6763000       3.491000      0.6870000      0.2052000      0.9640000
  1 1 1      -9  -14   24 o    12.43000      0.2576000       12.29000 0.3600000       12.56000      0.3684000     -0.2701000      0.5151000
  1 1 1      -9  -14   25 o    10.52000      0.2623000       10.45000 0.3651000       10.59000      0.3767000     -0.1340000      0.5246000
  1 1 1      -9  -14   26 o    2.638000      0.6008000       2.315000 0.8377000       2.960000      0.8615000     -0.6445000       1.202000
  1 1 1      -9  -14   27 o    4.008000      0.5275000       5.147000 0.5830000       2.869000      0.8792000       2.278000       1.055000
  1 1 1      -9  -14   28 o    5.786000      0.3978000       5.649000 0.5696000       5.922000      0.5554000     -0.2736000      0.7956000
  1 1 1      -9  -14   29 o    3.648000      0.6277000       3.425000 0.9071000       3.872000      0.8679000     -0.4475000       1.255000
  1 1 1      -9  -14   30 o    2.948000      0.6492000       2.351000 0.8983000       3.545000      0.9375000      -1.194000       1.298000
  1 1 1      -9  -14   31 o    5.143000      0.5129000       5.942000 0.5865000       4.344000      0.8416000       1.598000       1.026000
  1 1 1      -9  -14   32 o    6.568000      0.3855000       6.531000 0.5404000       6.604000      0.5500000     -0.7290000E-01  0.7711000
  1 1 1      -9  -14   33 o    3.344000      0.6502000       3.575000 0.9070000       3.113000      0.9319000      0.4619000       1.300000
  1 1 1      -9  -14   34 o    3.286000      0.7312000       2.308000 0.9990000       4.263000       1.068000      -1.955000       1.462000
  1 1 1      -9  -14   35 o    3.544000      0.6220000       3.343000 0.9156000       3.746000      0.8422000     -0.4028000       1.244000
  1 1 1      -9  -13    1 o    6.451000      0.1657000       6.611000 0.2334000       6.291000      0.2352000      0.3190000      0.3313000
  1 1 1      -9  -13    2 o    7.227000      0.1727000       7.273000 0.2436000       7.181000      0.2449000      0.9218000E-01  0.3454000
  1 1 1      -9  -13    3 o    8.343000      0.1741000       8.512000 0.2457000       8.173000      0.2467000      0.3394000      0.3482000
  1 1 1      -9  -13    4 o    2.620000      0.3459000       2.907000 0.4326000       2.332000      0.5399000      0.5752000      0.6918000
  1 1 1      -9  -13    5 o    11.56000      0.1992000       11.73000 0.2846000       11.38000      0.2789000      0.3487000      0.3985000
  1 1 1      -9  -13    6 o    10.25000      0.1934000       10.34000 0.2738000       10.17000      0.2733000      0.1639000      0.3869000
  1 1 1      -9  -13    7 f    7.582000      0.1924000       7.630000 0.2726000       7.535000      0.2716000      0.9558000E-01  0.3849000
  1 1 1      -9  -13    8 o    12.99000      0.2173000       12.80000 0.3047000       13.19000      0.3098000     -0.3900000      0.4345000
  1 1 1      -9  -13    9 o    7.673000      0.2011000       7.450000 0.2795000       7.895000      0.2894000     -0.4445000      0.4023000
  1 1 1      -9  -13   10 o    11.19000      0.2098000       11.74000 0.2996000       10.63000      0.2938000       1.107000      0.4196000
  1 1 1      -9  -13   11 o    6.439000      0.2256000       6.552000 0.3161000       6.325000      0.3219000      0.2273000      0.4512000
  1 1 1      -9  -13   12 o    6.583000      0.2257000       6.589000 0.3157000       6.577000      0.3227000      0.1192000E-01  0.4514000
  1 1 1      -9  -13   13 f    9.174000      0.2149000       9.149000 0.3012000       9.199000      0.3066000     -0.4998000E-01  0.4298000
  1 1 1      -9  -13   14 o    3.904000      0.3453000       4.062000 0.4597000       3.746000      0.5154000      0.3157000      0.6906000
  1 1 1      -9  -13   15 o    2.050000      0.5409000       1.994000 0.8181000       2.106000      0.7077000     -0.1112000       1.082000
  1 1 1      -9  -13   16 o    4.017000      0.5272000       4.335000 0.7465000       3.698000      0.7447000      0.6369000       1.054000
  1 1 1      -9  -13   17 o    10.62000      0.2364000       10.64000 0.3335000       10.60000      0.3351000      0.4334000E-01  0.4728000
  1 1 1      -9  -13   18 o    11.65000      0.2936000       11.26000 0.3329000       12.04000      0.4838000     -0.7867000      0.5872000
  1 1 1      -9  -13   19 o    2.005000      0.5926000       2.075000 0.8226000       1.936000      0.8533000      0.1384000       1.185000
  1 1 1      -9  -13   20 o    6.315000      0.4077000       6.769000 0.4909000       5.861000      0.6511000      0.9076000      0.8154000
  1 1 1      -9  -13   21 o    13.66000      0.2576000       13.33000 0.3645000       13.99000      0.3641000     -0.6595000      0.5152000
  1 1 1      -9  -13   22 o    6.521000      0.2942000       6.883000 0.4041000       6.159000      0.4275000      0.7242000      0.5883000
  1 1 1      -9  -13   23 f    6.925000      0.2962000       6.638000 0.4269000       7.211000      0.4107000     -0.5730000      0.5924000
  1 1 1      -9  -13   24 o    8.064000      0.2779000       8.134000 0.3914000       7.994000      0.3947000      0.1395000      0.5558000
  1 1 1      -9  -13   25 o    13.47000      0.2684000       13.33000 0.3825000       13.61000      0.3766000     -0.2864000      0.5367000
  1 1 1      -9  -13   26 f    4.117000      0.4695000       4.020000 0.6646000       4.215000      0.6634000     -0.1949000      0.9390000
  1 1 1      -9  -13   27 o    2.750000      0.5944000       3.202000 0.8207000       2.298000      0.8602000      0.9038000       1.189000
  1 1 1      -9  -13   28 o    8.061000      0.3097000       7.856000 0.4420000       8.266000      0.4338000     -0.4096000      0.6193000
  1 1 1      -9  -13   29 o    6.902000      0.3538000       6.985000 0.4894000       6.820000      0.5110000      0.1650000      0.7076000
  1 1 1      -9  -13   30 o    5.630000      0.4378000       5.924000 0.5757000       5.336000      0.6598000      0.5873000      0.8756000
  1 1 1      -9  -13   31 o    6.944000      0.3882000       7.532000 0.4985000       6.356000      0.5953000       1.176000      0.7764000
  1 1 1      -9  -13   32 o    5.254000      0.4687000       5.585000 0.6322000       4.923000      0.6921000      0.6620000      0.9374000
  1 1 1      -9  -13   33 o    4.369000      0.5383000       4.275000 0.8139000       4.464000      0.7047000     -0.1898000       1.077000
  1 1 1      -9  -13   34 o    7.001000      0.5424000       6.965000 0.7725000       7.037000      0.7617000     -0.7188000E-01   1.085000
  1 1 1      -9  -13   35 o    2.369000      0.7243000       2.228000 0.9975000       2.509000       1.050000     -0.2808000       1.449000
  1 1 1      -9  -12    1 o    12.04000      0.1935000       12.00000 0.2731000       12.08000      0.2741000     -0.8360000E-01  0.3870000
  1 1 1      -9  -12    2 o    26.88000      0.3699000       26.81000 0.5218000       26.95000      0.5244000     -0.1427000      0.7398000
  1 1 1      -9  -12    3 o    30.03000      0.4107000       29.61000 0.5733000       30.45000      0.5883000     -0.8366000      0.8214000
  1 1 1      -9  -12    4 o    7.768000      0.1799000       7.928000 0.2570000       7.608000      0.2519000      0.3199000      0.3598000
  1 1 1      -9  -12    5 o    9.076000      0.1833000       8.947000 0.2598000       9.205000      0.2587000     -0.2577000      0.3666000
  1 1 1      -9  -12    6 o    5.390000      0.2122000       5.225000 0.3017000       5.554000      0.2984000     -0.3290000      0.4243000
  1 1 1      -9  -12    7 o    19.29000      0.2803000       19.09000 0.3928000       19.48000      0.3999000     -0.3937000      0.5605000
  1 1 1      -9  -12    8 o    10.85000      0.2011000       10.82000 0.2829000       10.87000      0.2859000     -0.5087000E-01  0.4022000
  1 1 1      -9  -12    9 o    20.98000      0.3032000       21.37000 0.4339000       20.59000      0.4237000      0.7809000      0.6064000
  1 1 1      -9  -12   10 o    9.816000      0.2031000       10.04000 0.2866000       9.591000      0.2878000      0.4496000      0.4062000
  1 1 1      -9  -12   11 o    3.267000      0.3737000       3.365000 0.5143000       3.169000      0.5422000      0.1962000      0.7473000
  1 1 1      -9  -12   12 o    8.946000      0.2033000       8.553000 0.2850000       9.339000      0.2900000     -0.7865000      0.4066000
  1 1 1      -9  -12   13 o    11.29000      0.2184000       11.51000 0.3154000       11.08000      0.3022000      0.4253000      0.4368000
  1 1 1      -9  -12   14 o    7.965000      0.2177000       7.848000 0.3064000       8.082000      0.3093000     -0.2341000      0.4354000
  1 1 1      -9  -12   15 o    5.575000      0.2699000       5.627000 0.3688000       5.524000      0.3941000      0.1029000      0.5397000
  1 1 1      -9  -12   16 o    6.835000      0.2420000       7.019000 0.3366000       6.652000      0.3477000      0.3676000      0.4840000
  1 1 1      -9  -12   17 o    7.537000      0.3669000       7.234000 0.5613000       7.841000      0.4728000     -0.6064000      0.7338000
  1 1 1      -9  -12   18 o    6.790000      0.2565000       7.001000 0.3501000       6.580000      0.3750000      0.4214000      0.5131000
  1 1 1      -9  -12   19 o    7.589000      0.3727000       7.589000 0.3727000                  ?              ?              ?              ?
  1 1 1      -9  -12   20 o    8.373000      0.3475000       8.402000 0.4562000       8.344000      0.5243000      0.5833000E-01  0.6950000
  1 1 1      -9  -12   22 o    9.619000      0.2563000       9.546000 0.3670000       9.692000      0.3580000     -0.1459000      0.5127000
  1 1 1      -9  -12   23 o    3.606000      0.4938000       3.286000 0.7599000       3.926000      0.6307000     -0.6401000      0.9875000
  1 1 1      -9  -12   24 o    7.755000      0.2786000       7.669000 0.4049000       7.841000      0.3828000     -0.1720000      0.5573000
  1 1 1      -9  -12   25 o    12.53000      0.2624000       12.27000 0.3686000       12.78000      0.3736000     -0.5077000      0.5248000
  1 1 1      -9  -12   26 o    3.226000      0.5603000       2.918000 0.8303000       3.533000      0.7524000     -0.6147000       1.121000
  1 1 1      -9  -12   27 o    4.277000      0.4736000       4.381000 0.6373000       4.174000      0.7007000      0.2068000      0.9471000
  1 1 1      -9  -12   28 o    14.24000      0.2845000       14.13000 0.3997000       14.35000      0.4049000     -0.2134000      0.5690000
  1 1 1      -9  -12   29 o    7.938000      0.3210000       8.324000 0.4357000       7.553000      0.4714000      0.7712000      0.6420000
  1 1 1      -9  -12   30 o    3.075000      0.5948000       2.088000 0.8649000       4.062000      0.8167000      -1.974000       1.190000
  1 1 1      -9  -12   31 o    5.760000      0.4191000       5.822000 0.5715000       5.698000      0.6133000      0.1242000      0.8383000
  1 1 1      -9  -12   32 o    3.093000      0.6391000       3.689000 0.8631000       2.498000      0.9428000       1.191000       1.278000
  1 1 1      -9  -12   33 o    3.207000      0.6589000       3.056000 0.9921000       3.357000      0.8673000     -0.3007000       1.318000
  1 1 1      -9  -12   34 o    4.297000      0.5477000       3.854000 0.8659000       4.740000      0.6711000     -0.8856000       1.095000
  1 1 1      -9  -12   35 o    4.027000      0.7621000       3.695000 1.119000       4.360000       1.035000     -0.6655000       1.524000
  1 1 1      -9  -11    1 o    14.72000      0.2204000       14.84000 0.3146000       14.59000      0.3088000      0.2454000      0.4408000
  1 1 1      -9  -11    2 o    21.84000      0.3061000       22.17000 0.4389000       21.51000      0.4268000      0.6622000      0.6122000
  1 1 1      -9  -11    3 o    17.44000      0.2541000       17.68000 0.3628000       17.20000      0.3558000      0.4757000      0.5081000
  1 1 1      -9  -11    4 o    7.845000      0.1796000       7.706000 0.2547000       7.983000      0.2533000     -0.2770000      0.3592000
  1 1 1      -9  -11    5 o    15.54000      0.2349000       15.79000 0.3351000       15.30000      0.3292000      0.4858000      0.4697000
  1 1 1      -9  -11    6 o    15.25000      0.2336000       15.32000 0.3304000       15.19000      0.3304000      0.1315000      0.4673000
  1 1 1      -9  -11    7 o    19.58000      0.2837000       19.34000 0.3971000       19.82000      0.4052000     -0.4855000      0.5673000
  1 1 1      -9  -11    8 o    13.85000      0.2237000       13.88000 0.3166000       13.81000      0.3160000      0.7660000E-01  0.4474000
  1 1 1      -9  -11    9 o    9.526000      0.1974000       9.638000 0.2772000       9.413000      0.2812000      0.2249000      0.3948000
  1 1 1      -9  -11   10 o    9.856000      0.2038000       10.23000 0.2892000       9.482000      0.2873000      0.7484000      0.4076000
  1 1 1      -9  -11   11 o    14.26000      0.2327000       14.66000 0.3350000       13.86000      0.3230000      0.7976000      0.4654000
  1 1 1      -9  -11   12 o    7.532000      0.2094000       7.515000 0.2940000       7.549000      0.2983000     -0.3392000E-01  0.4188000
  1 1 1      -9  -11   13 o    3.653000      0.3507000       3.535000 0.5001000       3.772000      0.4919000     -0.2372000      0.7014000
  1 1 1      -9  -11   14 o    9.716000      0.2152000       9.980000 0.3008000       9.452000      0.3078000      0.5283000      0.4304000
  1 1 1      -9  -11   15 o    1.810000      0.4798000       1.944000 0.6957000       1.677000      0.6609000      0.2668000      0.9596000
  1 1 1      -9  -11   16 o    12.68000      0.2341000       12.97000 0.3322000       12.38000      0.3299000      0.5840000      0.4682000
  1 1 1      -9  -11   17 o    7.666000      0.3539000       7.780000 0.5255000       7.552000      0.4742000      0.2282000      0.7078000
  1 1 1      -9  -11   18 o    7.815000      0.3635000       7.215000 0.5496000       8.414000      0.4758000      -1.199000      0.7269000
  1 1 1      -9  -11   19 o    6.748000      0.3885000       6.748000 0.3885000                  ?              ?              ?              ?
  1 1 1      -9  -11   20 o    9.893000      0.2438000       10.09000 0.3466000       9.699000      0.3430000      0.3872000      0.4876000
  1 1 1      -9  -11   21 o    1.440000      0.6934000                  ?       ?   1.440000      0.6934000                  ?              ?
  1 1 1      -9  -11   22 f    12.22000      0.3470000       12.24000 0.4798000       12.19000      0.5014000      0.4590000E-01  0.6940000
  1 1 1      -9  -11   23 o    2.173000      0.5589000       2.308000 0.7965000       2.038000      0.7842000      0.2703000       1.118000
  1 1 1      -9  -11   24 o    11.21000      0.2557000       11.47000 0.3623000       10.95000      0.3609000      0.5146000      0.5114000
  1 1 1      -9  -11   25 o    2.258000      0.5493000       2.826000 0.8106000       1.690000      0.7414000       1.136000       1.099000
  1 1 1      -9  -11   26 o    15.98000      0.2846000       16.61000 0.4095000       15.34000      0.3952000       1.274000      0.5691000
  1 1 1      -9  -11   27 o    5.691000      0.3657000       5.383000 0.5495000       6.000000      0.4828000     -0.6169000      0.7314000
  1 1 1      -9  -11   28 o    10.78000      0.2783000       10.60000 0.3923000       10.96000      0.3948000     -0.3645000      0.5565000
  1 1 1      -9  -11   29 o    11.30000      0.2791000       11.24000 0.3908000       11.36000      0.3985000     -0.1205000      0.5582000
  1 1 1      -9  -11   30 o    4.126000      0.5430000       3.807000 0.7837000       4.445000      0.7517000     -0.6382000       1.086000
  1 1 1      -9  -11   31 o    6.073000      0.4005000       6.086000 0.5438000       6.059000      0.5881000      0.2618000E-01  0.8010000
  1 1 1      -9  -11   32 f    6.130000      0.4130000       6.493000 0.5461000       5.767000      0.6198000      0.7267000      0.8260000
  1 1 1      -9  -11   33 o    2.735000      0.6674000       2.489000 0.9431000       2.981000      0.9446000     -0.4919000       1.335000
  1 1 1      -9  -11   34 o    2.562000      0.6425000       3.009000 0.9428000       2.115000      0.8732000      0.8941000       1.285000
  1 1 1      -9  -11   35 o    3.141000      0.7851000       3.347000 1.145000       2.935000       1.074000      0.4121000       1.570000
  1 1 1      -9  -11   36 o    3.411000      0.8021000       3.277000 1.159000       3.545000       1.109000     -0.2682000       1.604000
  1 1 1      -9  -10    1 o    8.056000      0.2260000       7.961000 0.3119000       8.152000      0.3272000     -0.1912000      0.4520000
  1 1 1      -9  -10    2 o    21.77000      0.4296000       21.79000 0.6068000       21.76000      0.6084000      0.3219000E-01  0.8593000
  1 1 1      -9  -10    3 o    17.41000      0.2531000       17.73000 0.3632000       17.10000      0.3527000      0.6313000      0.5063000
  1 1 1      -9  -10    4 o    10.37000      0.1829000       10.56000 0.2596000       10.19000      0.2575000      0.3688000      0.3657000
  1 1 1      -9  -10    5 o    5.583000      0.1970000       5.615000 0.2821000       5.550000      0.2752000      0.6477000E-01  0.3941000
  1 1 1      -9  -10    6 o    20.24000      0.2905000       20.27000 0.4106000       20.21000      0.4111000      0.5748000E-01  0.5810000
  1 1 1      -9  -10    7 o    18.44000      0.2702000       18.48000 0.3832000       18.39000      0.3809000      0.9228000E-01  0.5403000
  1 1 1      -9  -10    8 o    8.290000      0.2253000       8.657000 0.3632000       7.922000      0.2667000      0.7355000      0.4506000
  1 1 1      -9  -10    9 o    7.117000      0.2017000       7.078000 0.2848000       7.156000      0.2856000     -0.7844000E-01  0.4033000
  1 1 1      -9  -10   10 o    3.618000      0.2938000       3.359000 0.4382000       3.877000      0.3914000     -0.5184000      0.5875000
  1 1 1      -9  -10   11 o    9.284000      0.2038000       9.201000 0.2874000       9.367000      0.2890000     -0.1662000      0.4076000
  1 1 1      -9  -10   12 o    10.04000      0.2085000       10.19000 0.2964000       9.888000      0.2933000      0.3030000      0.4170000
  1 1 1      -9  -10   13 o    1.937000      0.4431000       1.350000 0.5970000       2.524000      0.6550000      -1.174000      0.8862000
  1 1 1      -9  -10   14 o    5.102000      0.2641000       4.866000 0.3884000       5.338000      0.3579000     -0.4724000      0.5282000
  1 1 1      -9  -10   15 o    8.074000      0.2192000       7.912000 0.3130000       8.236000      0.3071000     -0.3238000      0.4385000
  1 1 1      -9  -10   16 o    10.89000      0.2232000       10.75000 0.3145000       11.04000      0.3168000     -0.2928000      0.4464000
  1 1 1      -9  -10   17 o    8.035000      0.2355000       7.876000 0.3329000       8.195000      0.3333000     -0.3191000      0.4710000
  1 1 1      -9  -10   18 o    7.049000      0.3900000       7.363000 0.5683000       6.735000      0.5343000      0.6272000      0.7800000
  1 1 1      -9  -10   19 o    3.243000      0.6129000       3.746000 0.8878000       2.740000      0.8453000       1.006000       1.226000
  1 1 1      -9  -10   20 o    7.905000      0.2524000       7.960000 0.3508000       7.850000      0.3630000      0.1102000      0.5048000
  1 1 1      -9  -10   21 o    3.662000      0.4424000       2.691000 0.7235000       4.633000      0.5093000      -1.942000      0.8847000
  1 1 1      -9  -10   22 o    7.755000      0.3730000       8.121000 0.4864000       7.389000      0.5655000      0.7314000      0.7459000
  1 1 1      -9  -10   23 o    6.007000      0.3181000       5.598000 0.4773000       6.416000      0.4206000     -0.8184000      0.6361000
  1 1 1      -9  -10   24 o    8.883000      0.2572000       8.515000 0.3691000       9.250000      0.3584000     -0.7344000      0.5144000
  1 1 1      -9  -10   25 o    4.093000      0.4491000       4.524000 0.5614000       3.662000      0.7011000      0.8619000      0.8981000
  1 1 1      -9  -10   26 o    8.891000      0.2717000       8.735000 0.3804000       9.048000      0.3882000     -0.3138000      0.5435000
  1 1 1      -9  -10   27 o    2.699000      0.5876000       2.302000 0.8523000       3.095000      0.8092000     -0.7928000       1.175000
  1 1 1      -9  -10   28 o    3.372000      0.5752000       3.644000 0.7706000       3.099000      0.8541000      0.5446000       1.150000
  1 1 1      -9  -10   29 o    12.91000      0.2772000       12.86000 0.3921000       12.96000      0.3919000     -0.9880000E-01  0.5544000
  1 1 1      -9  -10   30 o    3.003000      0.6357000       2.736000 0.9121000       3.271000      0.8858000     -0.5356000       1.271000
  1 1 1      -9  -10   31 o    3.432000      0.6237000       3.568000 0.8187000       3.295000      0.9410000      0.2728000       1.247000
  1 1 1      -9  -10   32 o    4.387000      0.5418000       4.777000 0.6883000       3.997000      0.8370000      0.7808000       1.084000
  1 1 1      -9  -10   33 o    2.921000      0.6537000       3.488000 0.9245000       2.355000      0.9244000       1.132000       1.307000
  1 1 1      -9  -10   34 o    2.626000      0.6519000       2.963000 0.9433000       2.289000      0.9001000      0.6742000       1.304000
  1 1 1      -9  -10   35 o    2.060000      0.5444000       1.242000 0.6135000       2.879000      0.8995000      -1.638000       1.089000
  1 1 1      -9  -10   36 o    3.120000      0.7596000       2.700000 1.077000       3.540000       1.071000     -0.8394000       1.519000
  1 1 1      -9   -9    1 o    17.68000      0.2532000       17.51000 0.3551000       17.84000      0.3609000     -0.3239000      0.5063000
  1 1 1      -9   -9    2 o    6.216000      0.2057000       5.973000 0.2201000       6.459000      0.3476000     -0.4857000      0.4115000
  1 1 1      -9   -9    3 o    14.55000      0.3091000       14.65000 0.4364000       14.45000      0.4379000      0.1959000      0.6182000
  1 1 1      -9   -9    4 o    9.562000      0.2481000       9.328000 0.3370000       9.795000      0.3642000     -0.4665000      0.4962000
  1 1 1      -9   -9    5 o    18.10000      0.2629000       18.24000 0.3739000       17.95000      0.3697000      0.2867000      0.5258000
  1 1 1      -9   -9    6 o    11.59000      0.1972000       11.64000 0.2781000       11.54000      0.2798000      0.1028000      0.3945000
  1 1 1      -9   -9    7 o    10.87000      0.1948000       10.87000 0.2768000       10.88000      0.2741000     -0.3611000E-02  0.3896000
  1 1 1      -9   -9    8 o    11.55000      0.2018000       11.41000 0.2831000       11.70000      0.2878000     -0.2912000      0.4037000
  1 1 1      -9   -9    9 o    14.31000      0.2268000       14.58000 0.3251000       14.04000      0.3163000      0.5420000      0.4536000
  1 1 1      -9   -9   10 o    11.68000      0.2066000       12.04000 0.2959000       11.32000      0.2885000      0.7209000      0.4133000
  1 1 1      -9   -9   11 o    7.339000      0.2030000       7.194000 0.2898000       7.485000      0.2843000     -0.2913000      0.4060000
  1 1 1      -9   -9   12 o    19.35000      0.2858000       19.30000 0.4034000       19.40000      0.4049000     -0.1035000      0.5715000
  1 1 1      -9   -9   13 o    5.624000      0.2383000       5.406000 0.3428000       5.843000      0.3310000     -0.4370000      0.4765000
  1 1 1      -9   -9   14 o    10.11000      0.2125000       10.04000 0.3008000       10.17000      0.3002000     -0.1210000      0.4250000
  1 1 1      -9   -9   15 o    9.005000      0.2166000       9.040000 0.3050000       8.969000      0.3076000      0.7087000E-01  0.4332000
  1 1 1      -9   -9   16 o    4.376000      0.3250000       4.556000 0.4438000       4.196000      0.4750000      0.3597000      0.6501000
  1 1 1      -9   -9   17 o    4.378000      0.3196000       4.646000 0.4303000       4.109000      0.4727000      0.5368000      0.6393000
  1 1 1      -9   -9   18 o    12.06000      0.2357000       12.05000 0.3325000       12.07000      0.3343000     -0.1918000E-01  0.4715000
  1 1 1      -9   -9   19 o    6.882000      0.3884000       7.807000 0.5332000       5.957000      0.5649000       1.850000      0.7768000
  1 1 1      -9   -9   20 o    2.790000      0.5222000       3.053000 0.7126000       2.527000      0.7635000      0.5265000       1.044000
  1 1 1      -9   -9   21 o    5.808000      0.3014000       5.653000 0.4363000       5.963000      0.4159000     -0.3103000      0.6027000
  1 1 1      -9   -9   22 o    4.838000      0.5028000       4.957000 0.6512000       4.719000      0.7662000      0.2378000       1.006000
  1 1 1      -9   -9   23 o    10.18000      0.3519000       9.715000 0.4801000       10.64000      0.5146000     -0.9263000      0.7038000
  1 1 1      -9   -9   24 o    5.094000      0.3552000       4.561000 0.5205000       5.627000      0.4836000      -1.066000      0.7105000
  1 1 1      -9   -9   25 o    12.32000      0.2640000       12.33000 0.3716000       12.32000      0.3750000      0.6917000E-02  0.5279000
  1 1 1      -9   -9   26 o    2.583000      0.5532000       1.915000 0.7882000       3.250000      0.7763000      -1.335000       1.106000
  1 1 1      -9   -9   27 o    2.006000      0.5692000       1.972000 0.7961000       2.040000      0.8137000     -0.6721000E-01   1.138000
  1 1 1      -9   -9   28 o    4.478000      0.4784000       5.132000 0.5861000       3.823000      0.7564000       1.309000      0.9569000
  1 1 1      -9   -9   29 o    6.935000      0.3301000       6.974000 0.4699000       6.896000      0.4636000      0.7797000E-01  0.6601000
  1 1 1      -9   -9   30 o    4.609000      0.5040000       5.401000 0.5837000       3.818000      0.8219000       1.582000       1.008000
  1 1 1      -9   -9   31 o    6.579000      0.3700000       6.505000 0.5132000       6.653000      0.5332000     -0.1477000      0.7401000
  1 1 1      -9   -9   32 o    3.427000      0.6449000       3.655000 0.8813000       3.199000      0.9418000      0.4562000       1.290000
  1 1 1      -9   -9   33 o    2.414000      0.6339000       2.754000 0.9258000       2.074000      0.8663000      0.6801000       1.268000
  1 1 1      -9   -9   34 o    5.251000      0.4487000       4.886000 0.6730000       5.616000      0.5936000     -0.7300000      0.8974000
  1 1 1      -9   -9   35 o    1.478000      0.4976000       1.348000 0.6596000       1.608000      0.7451000     -0.2596000      0.9951000
  1 1 1      -9   -9   36 o    2.252000      0.6948000       2.322000 1.003000       2.182000      0.9614000      0.1396000       1.390000
  1 1 1      -9   -8    1 o    14.56000      0.3073000       15.05000 0.4481000       14.06000      0.4207000      0.9816000      0.6146000
  1 1 1      -9   -8    2 o    11.32000      0.1840000       11.42000 0.2612000       11.23000      0.2593000      0.1915000      0.3680000
  1 1 1      -9   -8    3 o    12.64000      0.1997000       12.88000 0.2862000       12.40000      0.2786000      0.4798000      0.3994000
  1 1 1      -9   -8    4 o    13.34000      0.2929000       13.26000 0.4093000       13.42000      0.4191000     -0.1684000      0.5859000
  1 1 1      -9   -8    5 o    18.35000      0.3740000       17.76000 0.5130000       18.94000      0.5443000      -1.184000      0.7480000
  1 1 1      -9   -8    6 o    23.76000      0.3325000       23.20000 0.4597000       24.32000      0.4806000      -1.128000      0.6651000
  1 1 1      -9   -8    7 o    20.42000      0.2920000       20.19000 0.4092000       20.65000      0.4167000     -0.4545000      0.5840000
  1 1 1      -9   -8    8 o    6.585000      0.1918000       6.709000 0.2706000       6.460000      0.2720000      0.2489000      0.3837000
  1 1 1      -9   -8    9 o    7.083000      0.1889000       7.251000 0.2673000       6.915000      0.2669000      0.3363000      0.3777000
  1 1 1      -9   -8   10 o    11.37000      0.2030000       11.42000 0.2856000       11.32000      0.2886000      0.1037000      0.4061000
  1 1 1      -9   -8   11 o    9.235000      0.1955000       9.080000 0.2783000       9.390000      0.2747000     -0.3098000      0.3911000
  1 1 1      -9   -8   12 o    12.66000      0.2176000       12.59000 0.3088000       12.72000      0.3068000     -0.1396000      0.4353000
  1 1 1      -9   -8   13 o    7.474000      0.2063000       7.647000 0.2874000       7.300000      0.2960000      0.3471000      0.4125000
  1 1 1      -9   -8   14 o    6.023000      0.2374000       6.046000 0.3300000       6.001000      0.3414000      0.4469000E-01  0.4748000
  1 1 1      -9   -8   15 o    1.605000      0.4507000       1.800000 0.6609000       1.410000      0.6129000      0.3900000      0.9014000
  1 1 1      -9   -8   16 o    7.555000      0.2956000       7.262000 0.4952000       7.848000      0.3229000     -0.5865000      0.5912000
  1 1 1      -9   -8   17 o    9.276000      0.2251000       9.525000 0.3174000       9.027000      0.3194000      0.4977000      0.4503000
  1 1 1      -9   -8   18 o    14.44000      0.2507000       14.07000 0.3492000       14.81000      0.3597000     -0.7445000      0.5013000
  1 1 1      -9   -8   19 o    11.76000      0.3359000       12.40000 0.4885000       11.12000      0.4611000       1.283000      0.6717000
  1 1 1      -9   -8   20 o    2.222000      0.6003000       1.869000 0.8242000       2.576000      0.8730000     -0.7071000       1.201000
  1 1 1      -9   -8   21 o    5.072000      0.3280000       4.928000 0.4768000       5.215000      0.4506000     -0.2872000      0.6560000
  1 1 1      -9   -8   22 o    3.959000      0.5898000       4.157000 0.7640000       3.760000      0.8988000      0.3969000       1.180000
  1 1 1      -9   -8   23 o    6.957000      0.4055000       7.248000 0.5301000       6.666000      0.6136000      0.5825000      0.8109000
  1 1 1      -9   -8   24 o    14.95000      0.2684000       14.77000 0.3809000       15.12000      0.3781000     -0.3535000      0.5367000
  1 1 1      -9   -8   25 o    17.45000      0.2896000       17.63000 0.4125000       17.28000      0.4067000      0.3581000      0.5792000
  1 1 1      -9   -8   26 o    9.294000      0.2682000       9.608000 0.3765000       8.980000      0.3820000      0.6282000      0.5364000
  1 1 1      -9   -8   27 o    6.447000      0.3227000       6.396000 0.4646000       6.498000      0.4482000     -0.1014000      0.6455000
  1 1 1      -9   -8   28 o    7.632000      0.3096000       7.694000 0.4393000       7.570000      0.4363000      0.1243000      0.6191000
  1 1 1      -9   -8   29 o    3.404000      0.5648000       3.935000 0.7211000       2.872000      0.8695000       1.063000       1.130000
  1 1 1      -9   -8   30 o    3.675000      0.5795000       3.854000 0.7728000       3.495000      0.8636000      0.3592000       1.159000
  1 1 1      -9   -8   31 o    7.790000      0.3297000       7.782000 0.4650000       7.798000      0.4676000     -0.1606000E-01  0.6594000
  1 1 1      -9   -8   32 o    8.805000      0.3213000       8.744000 0.4610000       8.866000      0.4476000     -0.1227000      0.6426000
  1 1 1      -9   -8   33 f    2.312000      0.6419000       1.982000 0.8596000       2.643000      0.9535000     -0.6606000       1.284000
  1 1 1      -9   -8   34 o    2.912000      0.6649000       2.701000 0.9651000       3.124000      0.9149000     -0.4232000       1.330000
  1 1 1      -9   -8   35 o    2.792000      0.6542000       2.778000 0.9394000       2.806000      0.9109000     -0.2799000E-01   1.308000
  1 1 1      -9   -8   36 o    2.892000      0.7590000       2.602000 1.052000       3.183000       1.094000     -0.5812000       1.518000
  1 1 1      -9   -7    1 o    4.291000      0.2684000       3.734000 0.4194000       4.848000      0.3349000      -1.114000      0.5367000
  1 1 1      -9   -7    2 o    14.57000      0.3074000       14.28000 0.4297000       14.86000      0.4397000     -0.5728000      0.6148000
  1 1 1      -9   -7    3 o    3.741000      0.2038000       3.712000 0.2996000       3.770000      0.2765000     -0.5727000E-01  0.4077000
  1 1 1      -9   -7    4 o    9.908000      0.2200000       9.705000 0.3604000       10.11000      0.2523000     -0.4066000      0.4400000
  1 1 1      -9   -7    5 o    22.12000      0.4389000       22.69000 0.6342000       21.55000      0.6070000       1.141000      0.8779000
  1 1 1      -9   -7    6 f    24.34000      0.4792000       23.85000 0.6641000       24.82000      0.6910000     -0.9690000      0.9585000
  1 1 1      -9   -7    7 o    38.22000      0.5186000       38.44000 0.7376000       38.01000      0.7293000      0.4327000       1.037000
  1 1 1      -9   -7    8 o    14.32000      0.2239000       14.02000 0.3125000       14.62000      0.3208000     -0.5986000      0.4479000
  1 1 1      -9   -7    9 f    4.458000      0.2365000       4.483000 0.3292000       4.434000      0.3397000      0.4875000E-01  0.4730000
  1 1 1      -9   -7   10 o    7.725000      0.1888000       7.981000 0.2634000       7.469000      0.2705000      0.5127000      0.3776000
  1 1 1      -9   -7   11 o    13.67000      0.2224000       13.69000 0.3135000       13.65000      0.3156000      0.4686000E-01  0.4448000
  1 1 1      -9   -7   12 o    3.883000      0.2873000       3.677000 0.4094000       4.089000      0.4031000     -0.4115000      0.5745000
  1 1 1      -9   -7   13 o    7.883000      0.2037000       7.556000 0.2899000       8.211000      0.2863000     -0.6554000      0.4074000
  1 1 1      -9   -7   14 o    3.939000      0.3099000       3.840000 0.4482000       4.039000      0.4282000     -0.1991000      0.6199000
  1 1 1      -9   -7   15 o    5.843000      0.2396000       5.855000 0.3400000       5.830000      0.3376000      0.2577000E-01  0.4791000
  1 1 1      -9   -7   16 o    10.13000      0.2144000       10.33000 0.3064000       9.930000      0.2999000      0.4035000      0.4288000
  1 1 1      -9   -7   17 o    7.009000      0.2307000       6.812000 0.3255000       7.205000      0.3271000     -0.3929000      0.4614000
  1 1 1      -9   -7   18 o    8.943000      0.2278000       9.066000 0.3185000       8.819000      0.3258000      0.2465000      0.4556000
  1 1 1      -9   -7   19 o    7.272000      0.3590000       7.537000 0.5262000       7.007000      0.4887000      0.5309000      0.7181000
  1 1 1      -9   -7   20 o    5.224000      0.6495000       5.224000 0.6495000                  ?              ?              ?              ?
  1 1 1      -9   -7   21 o    3.527000      0.4438000       3.436000 0.6508000       3.619000      0.6035000     -0.1832000      0.8875000
  1 1 1      -9   -7   22 o    9.525000      0.3510000                  ?       ?   9.525000      0.3510000                  ?              ?
  1 1 1      -9   -7   23 o    10.40000      0.3525000       10.67000 0.4758000       10.14000      0.5202000      0.5356000      0.7050000
  1 1 1      -9   -7   24 o    8.143000      0.2685000       8.115000 0.3851000       8.171000      0.3743000     -0.5593000E-01  0.5370000
  1 1 1      -9   -7   25 o    12.87000      0.2592000       12.75000 0.3685000       12.99000      0.3647000     -0.2378000      0.5185000
  1 1 1      -9   -7   26 o    3.772000      0.5021000       4.417000 0.6148000       3.127000      0.7940000       1.290000       1.004000
  1 1 1      -9   -7   27 o    6.960000      0.3118000       6.800000 0.4468000       7.121000      0.4352000     -0.3207000      0.6237000
  1 1 1      -9   -7   28 o    8.281000      0.2900000       8.496000 0.4095000       8.066000      0.4107000      0.4306000      0.5800000
  1 1 1      -9   -7   29 o    2.685000      0.6269000       2.843000 0.8851000       2.526000      0.8881000      0.3164000       1.254000
  1 1 1      -9   -7   30 o    3.213000      0.6195000       3.193000 0.8686000       3.234000      0.8836000     -0.4042000E-01   1.239000
  1 1 1      -9   -7   31 o    9.099000      0.3129000       9.200000 0.4399000       8.998000      0.4452000      0.2027000      0.6259000
  1 1 1      -9   -7   32 o    7.621000      0.3485000       7.699000 0.4970000       7.543000      0.4886000      0.1552000      0.6969000
  1 1 1      -9   -7   33 o    1.913000      0.5975000       1.986000 0.8644000       1.840000      0.8251000      0.1470000       1.195000
  1 1 1      -9   -7   34 o    3.063000      0.6586000       3.290000 0.9228000       2.836000      0.9399000      0.4547000       1.317000
  1 1 1      -9   -7   35 o    6.036000      0.3985000       6.108000 0.5612000       5.964000      0.5658000      0.1443000      0.7969000
  1 1 1      -9   -7   36 o    2.049000      0.6453000       1.833000 0.8628000       2.266000      0.9598000     -0.4335000       1.291000
  1 1 1      -9   -6    1 o    14.43000      0.2129000       14.48000 0.3020000       14.39000      0.3001000      0.9595000E-01  0.4257000
  1 1 1      -9   -6    2 o    7.920000      0.2230000       7.898000 0.3246000       7.941000      0.3058000     -0.4242000E-01  0.4459000
  1 1 1      -9   -6    3 o    27.03000      0.5244000       27.47000 0.7533000       26.60000      0.7296000      0.8650000       1.049000
  1 1 1      -9   -6    4 o    11.09000      0.1831000       11.02000 0.2570000       11.16000      0.2609000     -0.1401000      0.3662000
  1 1 1      -9   -6    5 o    17.17000      0.3529000       17.35000 0.5010000       16.99000      0.4971000      0.3582000      0.7057000
  1 1 1      -9   -6    6 o    30.01000      0.5813000       30.07000 0.8227000       29.94000      0.8214000      0.1266000       1.163000
  1 1 1      -9   -6    7 o    12.18000      0.1999000       12.05000 0.2810000       12.31000      0.2845000     -0.2568000      0.3999000
  1 1 1      -9   -6    8 o    9.088000      0.1826000       9.461000 0.2605000       8.716000      0.2558000      0.7452000      0.3651000
  1 1 1      -9   -6    9 o    8.522000      0.1847000       8.404000 0.2579000       8.639000      0.2643000     -0.2347000      0.3693000
  1 1 1      -9   -6   10 o    9.279000      0.1904000       9.126000 0.2673000       9.433000      0.2713000     -0.3071000      0.3809000
  1 1 1      -9   -6   11 o    11.54000      0.2050000       11.50000 0.2890000       11.58000      0.2909000     -0.7709000E-01  0.4100000
  1 1 1      -9   -6   12 o    15.73000      0.2443000       15.84000 0.3476000       15.63000      0.3435000      0.2044000      0.4887000
  1 1 1      -9   -6   13 o    11.38000      0.2572000       11.32000 0.2968000       11.44000      0.4201000     -0.1190000      0.5144000
  1 1 1      -9   -6   14 o    12.10000      0.2166000       12.37000 0.3099000       11.82000      0.3027000      0.5522000      0.4332000
  1 1 1      -9   -6   15 o    9.094000      0.2157000       8.807000 0.3062000       9.380000      0.3038000     -0.5731000      0.4313000
  1 1 1      -9   -6   16 o    5.060000      0.2725000       4.918000 0.4003000       5.201000      0.3699000     -0.2832000      0.5450000
  1 1 1      -9   -6   17 o    8.610000      0.2210000       8.882000 0.3133000       8.339000      0.3118000      0.5432000      0.4420000
  1 1 1      -9   -6   18 o    8.539000      0.2270000       8.761000 0.3229000       8.317000      0.3192000      0.4446000      0.4541000
  1 1 1      -9   -6   19 o    5.223000      0.2977000       5.229000 0.4182000       5.217000      0.4238000      0.1197000E-01  0.5953000
  1 1 1      -9   -6   20 o    5.349000      0.6630000       5.349000 0.6630000                  ?              ?              ?              ?
  1 1 1      -9   -6   21 o    4.546000      0.3486000       4.849000 0.4725000       4.242000      0.5126000      0.6074000      0.6971000
  1 1 1      -9   -6   22 o    14.53000      0.3675000                  ?       ?   14.53000      0.3675000                  ?              ?
  1 1 1      -9   -6   23 o    13.61000      0.3598000       13.71000 0.5014000       13.51000      0.5162000      0.1990000      0.7196000
  1 1 1      -9   -6   24 o    8.414000      0.2596000       8.260000 0.3713000       8.568000      0.3630000     -0.3077000      0.5193000
  1 1 1      -9   -6   25 o    5.122000      0.3513000       5.488000 0.4642000       4.756000      0.5274000      0.7321000      0.7025000
  1 1 1      -9   -6   26 o    15.88000      0.2805000       15.54000 0.3933000       16.21000      0.4000000     -0.6709000      0.5610000
  1 1 1      -9   -6   27 o    5.115000      0.3673000       4.988000 0.5287000       5.243000      0.5100000     -0.2551000      0.7346000
  1 1 1      -9   -6   28 o    3.630000      0.5415000       3.850000 0.7392000       3.410000      0.7915000      0.4400000       1.083000
  1 1 1      -9   -6   29 o    4.970000      0.4349000       4.779000 0.6265000       5.162000      0.6033000     -0.3824000      0.8698000
  1 1 1      -9   -6   30 o    2.998000      0.6111000       3.081000 0.8416000       2.916000      0.8863000      0.1647000       1.222000
  1 1 1      -9   -6   31 o    3.930000      0.5793000       3.732000 0.8522000       4.127000      0.7848000     -0.3949000       1.159000
  1 1 1      -9   -6   32 o    3.209000      0.6277000       3.610000 0.8490000       2.807000      0.9249000      0.8032000       1.255000
  1 1 1      -9   -6   33 o    2.556000      0.6144000       1.854000 0.8190000       3.259000      0.9161000      -1.405000       1.229000
  1 1 1      -9   -6   34 o    6.468000      0.3783000       6.347000 0.5573000       6.589000      0.5117000     -0.2426000      0.7566000
  1 1 1      -9   -6   35 o    4.205000      0.5615000       4.242000 0.8031000       4.167000      0.7849000      0.7509000E-01   1.123000
  1 1 1      -9   -6   36 o    3.729000      0.7667000       3.546000 1.116000       3.913000       1.052000     -0.3670000       1.533000
  1 1 1      -9   -6   37 o    2.061000      0.6444000       1.955000 0.9201000       2.167000      0.9025000     -0.2126000       1.289000
  1 1 1      -9   -5    1 f    15.35000      0.2227000       15.39000 0.3159000       15.31000      0.3140000      0.7735000E-01  0.4454000
  1 1 1      -9   -5    2 f    13.61000      0.2031000       13.78000 0.2897000       13.44000      0.2848000      0.3407000      0.4062000
  1 1 1      -9   -5    3 o    13.47000      0.2881000       13.41000 0.4075000       13.52000      0.4072000     -0.1077000      0.5761000
  1 1 1      -9   -5    4 o    19.99000      0.2825000       19.55000 0.3917000       20.43000      0.4074000     -0.8870000      0.5651000
  1 1 1      -9   -5    5 o    17.84000      0.2571000       17.80000 0.3632000       17.89000      0.3639000     -0.9414000E-01  0.5141000
  1 1 1      -9   -5    7 o    23.46000      0.3292000       23.00000 0.4582000       23.92000      0.4727000     -0.9165000      0.6583000
  1 1 1      -9   -5    8 o    5.508000      0.2441000       5.227000 0.4160000       5.789000      0.2553000     -0.5627000      0.4881000
  1 1 1      -9   -5    9 o    14.41000      0.2262000       14.63000 0.3232000       14.18000      0.3164000      0.4517000      0.4523000
  1 1 1      -9   -5   10 o    39.50000      0.6610000       40.23000 1.091000       38.77000      0.7469000       1.461000       1.322000
  1 1 1      -9   -5   11 o    7.804000      0.1911000       7.414000 0.2716000       8.195000      0.2688000     -0.7812000      0.3821000
  1 1 1      -9   -5   12 o    2.029000      0.4360000       2.192000 0.6112000       1.866000      0.6219000      0.3266000      0.8720000
  1 1 1      -9   -5   13 o    1.982000      0.4347000       2.343000 0.6079000       1.620000      0.6216000      0.7220000      0.8695000
  1 1 1      -9   -5   14 o    7.619000      0.2040000       7.374000 0.2885000       7.864000      0.2884000     -0.4898000      0.4080000
  1 1 1      -9   -5   15 o    13.32000      0.2298000       13.42000 0.3256000       13.23000      0.3243000      0.1848000      0.4595000
  1 1 1      -9   -5   16 o    5.622000      0.2432000       5.773000 0.3451000       5.471000      0.3426000      0.3019000      0.4863000
  1 1 1      -9   -5   17 o    4.997000      0.2726000       4.992000 0.3920000       5.002000      0.3789000     -0.9591000E-02  0.5452000
  1 1 1      -9   -5   18 o    7.617000      0.2292000       7.725000 0.3197000       7.509000      0.3285000      0.2160000      0.4584000
  1 1 1      -9   -5   19 o    7.386000      0.2410000       7.383000 0.3424000       7.390000      0.3392000     -0.6835000E-02  0.4820000
  1 1 1      -9   -5   20 o    6.267000      0.3931000       6.303000 0.5757000       6.230000      0.5354000      0.7303000E-01  0.7862000
  1 1 1      -9   -5   21 o    1.494000      0.4660000       1.609000 0.6889000       1.380000      0.6277000      0.2291000      0.9320000
  1 1 1      -9   -5   22 o    9.943000      0.2501000       9.239000 0.3589000       10.65000      0.3483000      -1.408000      0.5001000
  1 1 1      -9   -5   23 o    9.850000      0.3507000       9.519000 0.4882000       10.18000      0.5035000     -0.6617000      0.7013000
  1 1 1      -9   -5   24 f    11.99000      0.2537000       11.60000 0.3627000       12.37000      0.3549000     -0.7697000      0.5075000
  1 1 1      -9   -5   25 o    9.238000      0.2589000       9.323000 0.3704000       9.153000      0.3617000      0.1696000      0.5178000
  1 1 1      -9   -5   26 f    14.35000      0.2676000       14.27000 0.3776000       14.43000      0.3793000     -0.1595000      0.5352000
  1 1 1      -9   -5   27 o    5.245000      0.3775000       5.512000 0.5077000       4.979000      0.5587000      0.5326000      0.7549000
  1 1 1      -9   -5   28 o    4.142000      0.4783000       4.089000 0.7046000       4.195000      0.6471000     -0.1054000      0.9567000
  1 1 1      -9   -5   29 o    6.760000      0.3333000       6.520000 0.4912000       7.000000      0.4505000     -0.4799000      0.6665000
  1 1 1      -9   -5   30 o    6.057000      0.3698000       6.464000 0.4963000       5.651000      0.5484000      0.8132000      0.7397000
  1 1 1      -9   -5   31 o    2.503000      0.6353000       2.142000 0.8741000       2.864000      0.9221000     -0.7216000       1.271000
  1 1 1      -9   -5   32 o    4.259000      0.5486000       4.995000 0.6667000       3.523000      0.8715000       1.473000       1.097000
  1 1 1      -9   -5   33 o    7.589000      0.3533000       7.433000 0.5073000       7.745000      0.4918000     -0.3118000      0.7065000
  1 1 1      -9   -5   34 o    4.632000      0.5330000       3.926000 0.8655000       5.339000      0.6224000      -1.413000       1.066000
  1 1 1      -9   -5   35 o    2.033000      0.5984000       2.334000 0.9101000       1.732000      0.7774000      0.6014000       1.197000
  1 1 1      -9   -5   36 o    2.424000      0.7105000       2.238000 0.9750000       2.611000       1.034000     -0.3722000       1.421000
  1 1 1      -9   -5   37 o    2.679000      0.6311000       3.152000 0.9147000       2.205000      0.8698000      0.9471000       1.262000
  1 1 1      -9   -4    1 o    9.413000      0.1596000       9.514000 0.2278000       9.311000      0.2237000      0.2034000      0.3193000
  1 1 1      -9   -4    2 o    6.862000      0.1519000       7.021000 0.2169000       6.703000      0.2128000      0.3185000      0.3038000
  1 1 1      -9   -4    3 o    20.45000      0.4058000       19.60000 0.5530000       21.30000      0.5940000      -1.706000      0.8115000
  1 1 1      -9   -4    4 o    12.58000      0.1967000       12.79000 0.2811000       12.37000      0.2752000      0.4157000      0.3934000
  1 1 1      -9   -4    5 o    12.61000      0.1978000       12.83000 0.2826000       12.39000      0.2770000      0.4377000      0.3957000
  1 1 1      -9   -4    6 o    18.29000      0.3728000       18.39000 0.5292000       18.19000      0.5251000      0.2022000      0.7455000
  1 1 1      -9   -4    7 o    33.74000      0.6501000       33.99000 0.9250000       33.50000      0.9137000      0.4887000       1.300000
  1 1 1      -9   -4    8 o    18.04000      0.2635000       17.76000 0.3677000       18.32000      0.3774000     -0.5585000      0.5269000
  1 1 1      -9   -4    9 o    14.26000      0.2236000       14.36000 0.3176000       14.16000      0.3148000      0.2011000      0.4472000
  1 1 1      -9   -4   10 o    27.78000      0.3854000       28.04000 0.5494000       27.53000      0.5408000      0.5078000      0.7709000
  1 1 1      -9   -4   11 o    5.255000      0.2114000       5.092000 0.3011000       5.417000      0.2967000     -0.3247000      0.4227000
  1 1 1      -9   -4   12 o    5.062000      0.2260000       4.703000 0.3315000       5.422000      0.3072000     -0.7189000      0.4520000
  1 1 1      -9   -4   13 o    7.603000      0.2009000       7.684000 0.2862000       7.521000      0.2821000      0.1640000      0.4018000
  1 1 1      -9   -4   14 o    8.233000      0.2014000       8.300000 0.2844000       8.166000      0.2854000      0.1335000      0.4029000
  1 1 1      -9   -4   15 o    5.185000      0.2466000       5.198000 0.3450000       5.172000      0.3525000      0.2610000E-01  0.4933000
  1 1 1      -9   -4   16 o    11.32000      0.2171000       11.14000 0.3068000       11.49000      0.3074000     -0.3462000      0.4343000
  1 1 1      -9   -4   17 o    3.732000      0.3479000       3.609000 0.5042000       3.854000      0.4795000     -0.2450000      0.6958000
  1 1 1      -9   -4   18 o    4.992000      0.2874000       4.920000 0.4133000       5.064000      0.3995000     -0.1450000      0.5748000
  1 1 1      -9   -4   19 o    10.02000      0.2292000       9.818000 0.3244000       10.23000      0.3238000     -0.4126000      0.4584000
  1 1 1      -9   -4   20 o    5.543000      0.4055000       5.278000 0.6207000       5.808000      0.5218000     -0.5307000      0.8109000
  1 1 1      -9   -4   21 o    9.330000      0.2398000       9.541000 0.3457000       9.120000      0.3323000      0.4210000      0.4795000
  1 1 1      -9   -4   22 o    11.37000      0.2446000       11.44000 0.3507000       11.30000      0.3410000      0.1440000      0.4891000
  1 1 1      -9   -4   23 o    8.034000      0.3778000       7.402000 0.5383000       8.665000      0.5303000      -1.263000      0.7556000
  1 1 1      -9   -4   24 o    18.24000      0.2954000       18.11000 0.4183000       18.37000      0.4172000     -0.2651000      0.5907000
  1 1 1      -9   -4   25 o    6.693000      0.2894000       6.580000 0.4128000       6.806000      0.4058000     -0.2256000      0.5788000
  1 1 1      -9   -4   26 f    17.41000      0.2897000       17.36000 0.4098000       17.45000      0.4095000     -0.8965000E-01  0.5793000
  1 1 1      -9   -4   27 o    3.402000      0.5151000       2.957000 0.8033000       3.846000      0.6450000     -0.8886000       1.030000
  1 1 1      -9   -4   28 o    5.288000      0.4483000       6.168000 0.6487000       4.409000      0.6190000       1.759000      0.8967000
  1 1 1      -9   -4   29 o    3.565000      0.5563000       3.644000 0.7969000       3.487000      0.7764000      0.1570000       1.113000
  1 1 1      -9   -4   30 o    8.880000      0.2928000       8.887000 0.4226000       8.874000      0.4053000      0.1252000E-01  0.5855000
  1 1 1      -9   -4   31 o    3.948000      0.5584000       4.280000 0.7291000       3.617000      0.8461000      0.6636000       1.117000
  1 1 1      -9   -4   32 o    3.000000      0.6432000       3.453000 0.8978000       2.547000      0.9213000      0.9062000       1.286000
  1 1 1      -9   -4   33 o    10.14000      0.2979000       9.863000 0.4242000       10.41000      0.4183000     -0.5454000      0.5958000
  1 1 1      -9   -4   34 o    2.548000      0.6421000       2.409000 0.9215000       2.687000      0.8945000     -0.2784000       1.284000
  1 1 1      -9   -4   35 o    2.105000      0.6018000       2.500000 0.9227000       1.709000      0.7728000      0.7912000       1.204000
  1 1 1      -9   -4   36 o    2.996000      0.7516000       3.495000 1.117000       2.498000       1.006000      0.9971000       1.503000
  1 1 1      -9   -4   37 o    2.260000      0.6075000       2.625000 0.9033000       1.896000      0.8127000      0.7293000       1.215000
  1 1 1      -9   -3    1 o    16.15000      0.2315000       16.24000 0.3287000       16.05000      0.3262000      0.1918000      0.4631000
  1 1 1      -9   -3    2 o    24.28000      0.3343000       24.27000 0.4725000       24.29000      0.4731000     -0.1331000E-01  0.6686000
  1 1 1      -9   -3    3 o    19.09000      0.3810000       18.97000 0.5368000       19.21000      0.5407000     -0.2408000      0.7619000
  1 1 1      -9   -3    4 o    13.42000      0.2047000       13.52000 0.2912000       13.31000      0.2876000      0.2071000      0.4093000
  1 1 1      -9   -3    5 o    18.01000      0.2586000       17.98000 0.3654000       18.04000      0.3661000     -0.6047000E-01  0.5172000
  1 1 1      -9   -3    6 o    20.44000      0.4099000       20.73000 0.5866000       20.15000      0.5727000      0.5720000      0.8198000
  1 1 1      -9   -3    7 o    19.32000      0.3914000       19.30000 0.5521000       19.34000      0.5550000     -0.3615000E-01  0.7828000
  1 1 1      -9   -3    8 f    24.50000      0.3421000       23.83000 0.4720000       25.16000      0.4953000      -1.324000      0.6842000
  1 1 1      -9   -3    9 o    14.85000      0.2299000       15.41000 0.3332000       14.30000      0.3168000       1.110000      0.4598000
  1 1 1      -9   -3   10 f    15.01000      0.2324000       15.57000 0.3363000       14.45000      0.3208000       1.119000      0.4648000
  1 1 1      -9   -3   11 o    23.52000      0.3328000       23.34000 0.4673000       23.70000      0.4740000     -0.3607000      0.6657000
  1 1 1      -9   -3   12 o    9.242000      0.1956000       9.059000 0.2749000       9.426000      0.2784000     -0.3669000      0.3913000
  1 1 1      -9   -3   13 o    10.81000      0.2525000       10.79000 0.2902000       10.83000      0.4131000     -0.3335000E-01  0.5049000
  1 1 1      -9   -3   14 o    9.978000      0.2030000       10.11000 0.2871000       9.847000      0.2870000      0.2618000      0.4059000
  1 1 1      -9   -3   15 o    5.265000      0.2455000       5.144000 0.3516000       5.387000      0.3428000     -0.2429000      0.4910000
  1 1 1      -9   -3   16 f    4.658000      0.2666000       4.548000 0.3777000       4.767000      0.3763000     -0.2190000      0.5332000
  1 1 1      -9   -3   17 o    2.376000      0.4600000       2.001000 0.6954000       2.750000      0.6024000     -0.7493000      0.9201000
  1 1 1      -9   -3   18 o    4.922000      0.2908000       4.621000 0.4400000       5.223000      0.3803000     -0.6019000      0.5815000
  1 1 1      -9   -3   19 o    8.027000      0.3316000       7.474000 0.4888000       8.579000      0.4482000      -1.105000      0.6632000
  1 1 1      -9   -3   20 o    10.74000      0.3301000       10.91000 0.4760000       10.56000      0.4575000      0.3438000      0.6602000
  1 1 1      -9   -3   21 o    6.175000      0.3873000       6.175000 0.3873000                  ?              ?              ?              ?
  1 1 1      -9   -3   22 o    12.18000      0.3437000       12.22000 0.4854000       12.14000      0.4868000      0.7804000E-01  0.6875000
  1 1 1      -9   -3   24 o    10.81000      0.2456000       10.78000 0.3515000       10.84000      0.3431000     -0.6062000E-01  0.4912000
  1 1 1      -9   -3   25 o    2.495000      0.5558000       2.712000 0.7769000       2.277000      0.7949000      0.4347000       1.112000
  1 1 1      -9   -3   26 o    3.051000      0.5265000       3.206000 0.7538000       2.896000      0.7353000      0.3096000       1.053000
  1 1 1      -9   -3   27 o    5.562000      0.3422000       5.139000 0.5208000       5.986000      0.4440000     -0.8467000      0.6844000
  1 1 1      -9   -3   28 o    10.13000      0.2660000       10.82000 0.3771000       9.439000      0.3753000       1.378000      0.5320000
  1 1 1      -9   -3   29 o    7.050000      0.3082000       6.936000 0.4501000       7.163000      0.4212000     -0.2273000      0.6165000
  1 1 1      -9   -3   30 o    5.017000      0.4376000       4.416000 0.6834000       5.617000      0.5468000      -1.201000      0.8752000
  1 1 1      -9   -3   31 o    1.997000      0.5776000       2.316000 0.8750000       1.678000      0.7544000      0.6374000       1.155000
  1 1 1      -9   -3   32 o    5.691000      0.4066000       5.381000 0.6060000       6.001000      0.5421000     -0.6194000      0.8131000
  1 1 1      -9   -3   33 o    5.195000      0.4475000       4.808000 0.6654000       5.583000      0.5987000     -0.7756000      0.8951000
  1 1 1      -9   -3   34 o    7.538000      0.3370000       7.551000 0.4811000       7.526000      0.4721000      0.2540000E-01  0.6741000
  1 1 1      -9   -3   35 o    3.871000      0.7627000       3.599000 1.179000       4.143000      0.9674000     -0.5440000       1.525000
  1 1 1      -9   -3   36 o    3.023000      0.7221000       2.997000 1.036000       3.048000       1.006000     -0.5091000E-01   1.444000
  1 1 1      -9   -3   37 o    1.738000      0.5367000       1.378000 0.6650000       2.097000      0.8426000     -0.7186000       1.073000
  1 1 1      -9   -2    1 o    25.88000      0.3541000       25.68000 0.4969000       26.08000      0.5046000     -0.4079000      0.7082000
  1 1 1      -9   -2    2 o    6.398000      0.2122000       6.423000 0.2965000       6.373000      0.3037000      0.4957000E-01  0.4245000
  1 1 1      -9   -2    3 o    14.40000      0.3018000       14.29000 0.4245000       14.52000      0.4290000     -0.2255000      0.6035000
  1 1 1      -9   -2    4 o    4.910000      0.1667000       4.843000 0.2380000       4.977000      0.2335000     -0.1336000      0.3334000
  1 1 1      -9   -2    5 f    9.342000      0.1703000       9.441000 0.2411000       9.244000      0.2405000      0.1963000      0.3405000
  1 1 1      -9   -2    6 o    16.94000      0.3507000       17.16000 0.5010000       16.71000      0.4907000      0.4544000      0.7013000
  1 1 1      -9   -2    7 o    16.97000      0.2492000       16.77000 0.3488000       17.18000      0.3560000     -0.4115000      0.4983000
  1 1 1      -9   -2    8 o    13.95000      0.2183000       14.18000 0.3112000       13.72000      0.3062000      0.4683000      0.4366000
  1 1 1      -9   -2    9 o    15.72000      0.2933000       15.37000 0.3315000       16.08000      0.4839000     -0.7078000      0.5865000
  1 1 1      -9   -2   10 o    18.38000      0.2708000       18.30000 0.3822000       18.45000      0.3838000     -0.1490000      0.5416000
  1 1 1      -9   -2   11 o    29.19000      0.4985000       29.69000 0.8222000       28.69000      0.5639000      0.9960000      0.9970000
  1 1 1      -9   -2   12 o    10.34000      0.2007000       9.889000 0.2797000       10.79000      0.2878000     -0.9057000      0.4013000
  1 1 1      -9   -2   13 o    6.627000      0.2038000       6.361000 0.2978000       6.892000      0.2781000     -0.5316000      0.4075000
  1 1 1      -9   -2   14 o    7.661000      0.2024000       7.556000 0.2871000       7.765000      0.2854000     -0.2093000      0.4049000
  1 1 1      -9   -2   15 o    8.967000      0.2065000       9.188000 0.2912000       8.746000      0.2929000      0.4430000      0.4130000
  1 1 1      -9   -2   16 o    12.15000      0.2233000       12.37000 0.3162000       11.92000      0.3153000      0.4499000      0.4466000
  1 1 1      -9   -2   17 o    9.646000      0.2173000       9.965000 0.3114000       9.327000      0.3032000      0.6382000      0.4346000
  1 1 1      -9   -2   18 o    7.716000      0.2277000       7.318000 0.3276000       8.114000      0.3164000     -0.7962000      0.4554000
  1 1 1      -9   -2   19 o    2.531000      0.5638000       3.098000 0.8099000       1.964000      0.7846000       1.134000       1.128000
  1 1 1      -9   -2   20 f    10.73000      0.3276000       10.69000 0.4722000       10.76000      0.4543000     -0.7070000E-01  0.6552000
  1 1 1      -9   -2   21 o    10.71000      0.3384000       10.71000 0.3384000                  ?              ?              ?              ?
  1 1 1      -9   -2   22 o    13.59000      0.3582000       13.32000 0.5034000       13.85000      0.5097000     -0.5296000      0.7164000
  1 1 1      -9   -2   23 o    5.752000      0.6430000                  ?       ?   5.752000      0.6430000                  ?              ?
  1 1 1      -9   -2   24 o    6.946000      0.3443000       7.399000 0.5615000       6.492000      0.3986000      0.9065000      0.6886000
  1 1 1      -9   -2   25 o    3.077000      0.5290000       3.421000 0.7180000       2.732000      0.7770000      0.6897000       1.058000
  1 1 1      -9   -2   26 o    7.485000      0.2746000       6.859000 0.4071000       8.111000      0.3686000      -1.252000      0.5492000
  1 1 1      -9   -2   27 o    7.911000      0.2848000       8.005000 0.4016000       7.816000      0.4039000      0.1894000      0.5695000
  1 1 1      -9   -2   28 o    5.194000      0.3679000       5.205000 0.5384000       5.183000      0.5015000      0.2254000E-01  0.7358000
  1 1 1      -9   -2   29 o    1.654000      0.5125000       1.421000 0.6705000       1.886000      0.7754000     -0.4647000       1.025000
  1 1 1      -9   -2   30 o    8.030000      0.3008000       8.393000 0.4093000       7.666000      0.4408000      0.7268000      0.6015000
  1 1 1      -9   -2   31 o    2.210000      0.6014000       2.291000 0.8615000       2.129000      0.8395000      0.1612000       1.203000
  1 1 1      -9   -2   32 o    4.252000      0.5095000       4.064000 0.7368000       4.440000      0.7039000     -0.3762000       1.019000
  1 1 1      -9   -2   33 o    3.838000      0.5822000       4.232000 0.7985000       3.443000      0.8475000      0.7892000       1.164000
  1 1 1      -9   -2   34 o    8.129000      0.3151000       8.370000 0.4423000       7.887000      0.4490000      0.4825000      0.6303000
  1 1 1      -9   -2   35 o    6.972000      0.4837000       7.114000 0.7264000       6.829000      0.6391000      0.2848000      0.9675000
  1 1 1      -9   -2   36 o    4.847000      0.4717000       4.744000 0.7143000       4.949000      0.6163000     -0.2052000      0.9434000
  1 1 1      -9   -2   37 o    1.773000      0.5494000       2.042000 0.8376000       1.504000      0.7111000      0.5378000       1.099000
  1 1 1      -9   -1    1 o    20.13000      0.2810000       19.93000 0.3936000       20.33000      0.4011000     -0.4048000      0.5620000
  1 1 1      -9   -1    2 o    5.957000      0.2098000       5.613000 0.3002000       6.300000      0.2931000     -0.6870000      0.4195000
  1 1 1      -9   -1    3 o    15.63000      0.3223000       16.06000 0.4671000       15.19000      0.4442000      0.8729000      0.6446000
  1 1 1      -9   -1    4 o    11.83000      0.1883000       11.88000 0.2683000       11.78000      0.2642000      0.1059000      0.3765000
  1 1 1      -9   -1    5 o    12.52000      0.2812000       12.39000 0.3934000       12.64000      0.4019000     -0.2514000      0.5624000
  1 1 1      -9   -1    6 o    22.95000      0.4544000       23.06000 0.6448000       22.83000      0.6405000      0.2265000      0.9088000
  1 1 1      -9   -1    7 o    17.61000      0.2573000       17.79000 0.3672000       17.43000      0.3606000      0.3533000      0.5146000
  1 1 1      -9   -1    8 o    12.46000      0.2049000       12.39000 0.2893000       12.54000      0.2901000     -0.1501000      0.4098000
  1 1 1      -9   -1    9 o    18.81000      0.2737000       18.80000 0.3867000       18.82000      0.3874000     -0.1399000E-01  0.5473000
  1 1 1      -9   -1   10 o    8.907000      0.1843000       9.262000 0.2580000       8.552000      0.2633000      0.7104000      0.3687000
  1 1 1      -9   -1   11 o    14.39000      0.2273000       14.53000 0.3233000       14.25000      0.3194000      0.2781000      0.4545000
  1 1 1      -9   -1   12 o    10.34000      0.2000000       10.54000 0.2825000       10.15000      0.2831000      0.3945000      0.3999000
  1 1 1      -9   -1   13 o    5.533000      0.2131000       5.604000 0.3043000       5.462000      0.2983000      0.1412000      0.4261000
  1 1 1      -9   -1   14 o    14.82000      0.2399000       14.81000 0.3377000       14.84000      0.3408000     -0.3108000E-01  0.4798000
  1 1 1      -9   -1   15 o    10.62000      0.2105000       10.60000 0.2970000       10.64000      0.2984000     -0.3863000E-01  0.4210000
  1 1 1      -9   -1   16 o    13.77000      0.2876000       13.76000 0.4684000       13.78000      0.3338000     -0.2100000E-01  0.5752000
  1 1 1      -9   -1   17 o    9.577000      0.2138000       9.370000 0.3055000       9.784000      0.2992000     -0.4137000      0.4276000
  1 1 1      -9   -1   18 o    13.11000      0.2358000       12.84000 0.3310000       13.37000      0.3360000     -0.5361000      0.4716000
  1 1 1      -9   -1   19 o    7.388000      0.3172000       7.273000 0.4574000       7.502000      0.4397000     -0.2292000      0.6344000
  1 1 1      -9   -1   20 o    11.89000      0.2358000       11.58000 0.3287000       12.19000      0.3381000     -0.6091000      0.4716000
  1 1 1      -9   -1   21 o    7.146000      0.2495000       7.356000 0.3605000       6.936000      0.3449000      0.4196000      0.4989000
  1 1 1      -9   -1   22 o    9.164000      0.3512000       8.601000 0.5158000       9.726000      0.4769000      -1.126000      0.7025000
  1 1 1      -9   -1   23 o    3.323000      0.4529000       2.760000 0.7033000       3.886000      0.5708000      -1.127000      0.9058000
  1 1 1      -9   -1   24 o    15.02000      0.2664000       15.09000 0.3805000       14.94000      0.3728000      0.1510000      0.5327000
  1 1 1      -9   -1   25 o    13.55000      0.2593000       13.88000 0.3719000       13.22000      0.3613000      0.6626000      0.5185000
  1 1 1      -9   -1   26 o    3.628000      0.4585000       4.321000 0.5690000       2.936000      0.7191000       1.385000      0.9170000
  1 1 1      -9   -1   27 o    9.780000      0.2622000       9.899000 0.3715000       9.661000      0.3701000      0.2378000      0.5244000
  1 1 1      -9   -1   28 o    2.675000      0.5607000       3.259000 0.7845000       2.092000      0.8013000       1.166000       1.121000
  1 1 1      -9   -1   29 o    4.274000      0.4686000       4.247000 0.7035000       4.301000      0.6194000     -0.5425000E-01  0.9373000
  1 1 1      -9   -1   30 o    3.887000      0.5224000       3.587000 0.7853000       4.188000      0.6892000     -0.6011000       1.045000
  1 1 1      -9   -1   31 o    1.614000      0.5235000       1.814000 0.8003000       1.414000      0.6750000      0.4005000       1.047000
  1 1 1      -9   -1   32 o    2.361000      0.5957000       2.820000 0.8691000       1.901000      0.8149000      0.9189000       1.191000
  1 1 1      -9   -1   33 o    5.128000      0.4299000       5.296000 0.6226000       4.959000      0.5930000      0.3373000      0.8598000
  1 1 1      -9   -1   34 o    1.951000      0.5924000       2.063000 0.8696000       1.840000      0.8046000      0.2231000       1.185000
  1 1 1      -9   -1   35 o    4.530000      0.6507000       4.818000 0.9678000       4.241000      0.8699000      0.5771000       1.301000
  1 1 1      -9   -1   36 o    4.469000      0.4853000       4.482000 0.6950000       4.457000      0.6775000      0.2484000E-01  0.9706000
  1 1 1      -9    0    1 o    9.009000      0.1545000       8.726000 0.2143000       9.292000      0.2226000     -0.5652000      0.3090000
  1 1 1      -9    0    2 o    8.761000      0.2225000       8.468000 0.3144000       9.054000      0.3148000     -0.5855000      0.4449000
  1 1 1      -9    0    3 o    11.30000      0.1821000       11.35000 0.2576000       11.26000      0.2574000      0.9207000E-01  0.3642000
  1 1 1      -9    0    4 o    19.02000      0.2705000       18.96000 0.3820000       19.07000      0.3832000     -0.1062000      0.5411000
  1 1 1      -9    0    6 o    7.844000      0.1649000       7.886000 0.2318000       7.801000      0.2348000      0.8591000E-01  0.3299000
  1 1 1      -9    0    7 o    16.26000      0.2423000       16.81000 0.3512000       15.72000      0.3338000       1.091000      0.4845000
  1 1 1      -9    0    8 o    24.16000      0.3389000       24.06000 0.4781000       24.25000      0.4806000     -0.1896000      0.6779000
  1 1 1      -9    0    9 o    12.81000      0.2092000       13.12000 0.3003000       12.51000      0.2915000      0.6087000      0.4185000
  1 1 1      -9    0   10 o    13.14000      0.2148000       13.10000 0.3033000       13.18000      0.3042000     -0.7991000E-01  0.4296000
  1 1 1      -9    0   11 o    13.48000      0.2204000       13.67000 0.3131000       13.29000      0.3103000      0.3815000      0.4409000
  1 1 1      -9    0   12 o    8.695000      0.1924000       8.701000 0.2722000       8.689000      0.2720000      0.1196000E-01  0.3848000
  1 1 1      -9    0   13 o    7.917000      0.1983000       7.480000 0.2814000       8.354000      0.2794000     -0.8740000      0.3965000
  1 1 1      -9    0   14 o    8.671000      0.2025000       8.867000 0.2867000       8.475000      0.2860000      0.3917000      0.4050000
  1 1 1      -9    0   15 o    8.836000      0.2054000       8.799000 0.2914000       8.872000      0.2897000     -0.7359000E-01  0.4108000
  1 1 1      -9    0   16 f    6.192000      0.2312000       6.315000 0.3223000       6.070000      0.3316000      0.2451000      0.4624000
  1 1 1      -9    0   17 o    2.930000      0.4168000       3.056000 0.5627000       2.804000      0.6149000      0.2523000      0.8335000
  1 1 1      -9    0   18 o    14.80000      0.3482000       14.40000 0.4934000       15.20000      0.4914000     -0.8007000      0.6964000
  1 1 1      -9    0   19 o    5.306000      0.3721000       4.812000 0.5419000       5.800000      0.5100000     -0.9879000      0.7442000
  1 1 1      -9    0   20 o    8.855000      0.2344000       8.417000 0.3351000       9.292000      0.3277000     -0.8754000      0.4687000
  1 1 1      -9    0   21 o    4.451000      0.4729000       4.428000 0.6442000       4.473000      0.6926000     -0.4483000E-01  0.9459000
  1 1 1      -9    0   22 o    5.870000      0.4104000       6.626000 0.5170000       5.114000      0.6376000       1.512000      0.8208000
  1 1 1      -9    0   23 f    10.62000      0.2403000       10.83000 0.3467000       10.41000      0.3329000      0.4221000      0.4806000
  1 1 1      -9    0   24 f    16.53000      0.2811000       16.97000 0.4026000       16.10000      0.3923000      0.8768000      0.5621000
  1 1 1      -9    0   25 f    6.258000      0.2984000       6.018000 0.4423000       6.499000      0.4007000     -0.4816000      0.5968000
  1 1 1      -9    0   26 o    3.673000      0.4724000       3.941000 0.6372000       3.405000      0.6975000      0.5360000      0.9448000
  1 1 1      -9    0   27 o    10.53000      0.2612000       10.45000 0.3717000       10.61000      0.3671000     -0.1602000      0.5224000
  1 1 1      -9    0   28 o    7.665000      0.2828000       7.746000 0.4082000       7.584000      0.3916000      0.1622000      0.5656000
  1 1 1      -9    0   29 o    1.921000      0.5590000       2.088000 0.8192000       1.754000      0.7607000      0.3344000       1.118000
  1 1 1      -9    0   30 o    3.541000      0.5345000       4.120000 0.7038000       2.962000      0.8045000       1.158000       1.069000
  1 1 1      -9    0   31 o    2.265000      0.6138000       2.591000 0.9090000       1.938000      0.8251000      0.6537000       1.228000
  1 1 1      -9    0   32 o    3.220000      0.6068000       2.787000 0.9113000       3.654000      0.8015000     -0.8669000       1.214000
  1 1 1      -9    0   33 o    2.029000      0.6014000       2.139000 0.8785000       1.919000      0.8215000      0.2206000       1.203000
  1 1 1      -9    0   34 f    6.074000      0.5035000       6.274000 0.7411000       5.875000      0.6817000      0.3988000       1.007000
  1 1 1      -9    0   35 o    4.558000      0.6488000       5.045000 0.8986000       4.071000      0.9362000      0.9740000       1.298000
  1 1 1      -9    0   36 o    2.118000      0.6011000       2.411000 0.9113000       1.826000      0.7840000      0.5854000       1.202000
  1 1 1      -9    1    1 o    10.73000      0.2435000       10.88000 0.3469000       10.59000      0.3417000      0.2933000      0.4869000
  1 1 1      -9    1    2 o    22.93000      0.3182000       22.95000 0.4498000       22.92000      0.4501000      0.3325000E-01  0.6363000
  1 1 1      -9    1    3 o    3.131000      0.2088000       3.032000 0.2941000       3.231000      0.2965000     -0.1994000      0.4177000
  1 1 1      -9    1    4 o    9.517000      0.2411000       9.222000 0.3347000       9.812000      0.3471000     -0.5901000      0.4822000
  1 1 1      -9    1    5 o    5.888000      0.1677000       6.082000 0.2364000       5.694000      0.2380000      0.3884000      0.3355000
  1 1 1      -9    1    6 o    7.051000      0.1662000       7.244000 0.2358000       6.858000      0.2342000      0.3857000      0.3323000
  1 1 1      -9    1    7 o    16.85000      0.2494000       16.99000 0.3550000       16.72000      0.3503000      0.2748000      0.4988000
  1 1 1      -9    1    8 o    8.297000      0.1773000       8.328000 0.2524000       8.267000      0.2491000      0.6099000E-01  0.3546000
  1 1 1      -9    1    9 o    5.721000      0.1895000       5.809000 0.2607000       5.632000      0.2750000      0.1768000      0.3789000
  1 1 1      -9    1   10 o    29.84000      0.4123000       29.70000 0.5815000       29.97000      0.5847000     -0.2683000      0.8246000
  1 1 1      -9    1   11 o    11.18000      0.2025000       11.24000 0.2864000       11.12000      0.2863000      0.1193000      0.4049000
  1 1 1      -9    1   12 o    4.027000      0.2463000       4.211000 0.3312000       3.844000      0.3646000      0.3671000      0.4926000
  1 1 1      -9    1   13 o    17.16000      0.2620000       16.90000 0.3662000       17.41000      0.3747000     -0.5073000      0.5240000
  1 1 1      -9    1   14 f    8.184000      0.2036000       8.253000 0.2905000       8.114000      0.2855000      0.1388000      0.4073000
  1 1 1      -9    1   15 o    8.480000      0.2588000       8.432000 0.2884000       8.527000      0.4298000     -0.9543000E-01  0.5176000
  1 1 1      -9    1   16 o    4.675000      0.2613000       4.611000 0.3730000       4.739000      0.3660000     -0.1279000      0.5225000
  1 1 1      -9    1   17 o    8.062000      0.2212000       8.057000 0.3153000       8.067000      0.3102000     -0.9893000E-02  0.4423000
  1 1 1      -9    1   18 o    5.132000      0.3924000       5.371000 0.5537000       4.894000      0.5562000      0.4767000      0.7848000
  1 1 1      -9    1   19 o    3.180000      0.4781000       3.961000 0.4756000       2.399000      0.8296000       1.561000      0.9563000
  1 1 1      -9    1   20 o    4.430000      0.3400000       4.381000 0.4918000       4.479000      0.4696000     -0.9835000E-01  0.6800000
  1 1 1      -9    1   21 o    4.392000      0.5323000       4.350000 0.7547000       4.433000      0.7510000     -0.8329000E-01   1.065000
  1 1 1      -9    1   22 o    7.439000      0.2547000       7.506000 0.3639000       7.371000      0.3563000      0.1347000      0.5093000
  1 1 1      -9    1   23 o    12.88000      0.2496000       13.00000 0.3551000       12.76000      0.3508000      0.2395000      0.4992000
  1 1 1      -9    1   24 o    8.918000      0.2571000       8.808000 0.3751000       9.028000      0.3516000     -0.2200000      0.5141000
  1 1 1      -9    1   25 o    5.204000      0.3284000       4.831000 0.5149000       5.578000      0.4077000     -0.7471000      0.6568000
  1 1 1      -9    1   26 o    13.67000      0.2610000       13.82000 0.3691000       13.52000      0.3691000      0.3023000      0.5220000
  1 1 1      -9    1   27 o    6.487000      0.3032000       6.399000 0.4468000       6.575000      0.4101000     -0.1757000      0.6064000
  1 1 1      -9    1   28 o    3.446000      0.5111000       3.836000 0.6828000       3.057000      0.7607000      0.7786000       1.022000
  1 1 1      -9    1   29 o    7.736000      0.3009000       8.187000 0.4176000       7.285000      0.4333000      0.9015000      0.6017000
  1 1 1      -9    1   30 o    6.801000      0.3296000       7.025000 0.4667000       6.577000      0.4655000      0.4479000      0.6592000
  1 1 1      -9    1   31 o    1.716000      0.5301000       2.073000 0.8360000       1.358000      0.6522000      0.7148000       1.060000
  1 1 1      -9    1   32 o    1.879000      0.5683000       2.025000 0.8299000       1.733000      0.7766000      0.2917000       1.137000
  1 1 1      -9    1   33 o    11.34000      0.2858000       11.16000 0.4092000       11.52000      0.3991000     -0.3517000      0.5716000
  1 1 1      -9    1   34 o    5.808000      0.5171000       6.073000 0.7644000       5.544000      0.6966000      0.5286000       1.034000
  1 1 1      -9    1   35 o    1.943000      0.5681000       1.562000 0.7407000       2.323000      0.8616000     -0.7608000       1.136000
  1 1 1      -9    1   36 o    3.955000      0.5582000       2.830000 0.9508000       5.080000      0.5850000      -2.251000       1.116000
  1 1 1      -9    2    1 o    8.126000      0.1578000       7.826000 0.2189000       8.425000      0.2275000     -0.5988000      0.3157000
  1 1 1      -9    2    2 o    13.19000      0.2028000       13.55000 0.2894000       12.83000      0.2842000      0.7178000      0.4057000
  1 1 1      -9    2    3 o    12.61000      0.2789000       12.69000 0.3937000       12.53000      0.3952000      0.1547000      0.5578000
  1 1 1      -9    2    4 o    17.29000      0.3556000       17.89000 0.5163000       16.70000      0.4891000       1.185000      0.7112000
  1 1 1      -9    2    5 o    19.90000      0.2846000       19.98000 0.4028000       19.82000      0.4023000      0.1648000      0.5693000
  1 1 1      -9    2    6 o    7.712000      0.1711000       7.882000 0.2458000       7.543000      0.2380000      0.3388000      0.3421000
  1 1 1      -9    2    7 o    6.143000      0.1807000       6.255000 0.2532000       6.030000      0.2580000      0.2251000      0.3615000
  1 1 1      -9    2    8 o    18.93000      0.2751000       19.24000 0.3947000       18.61000      0.3834000      0.6262000      0.5502000
  1 1 1      -9    2    9 o    11.89000      0.2016000       11.77000 0.2828000       12.01000      0.2875000     -0.2421000      0.4033000
  1 1 1      -9    2   10 o    7.432000      0.1853000       7.522000 0.2616000       7.342000      0.2624000      0.1800000      0.3705000
  1 1 1      -9    2   11 o    7.908000      0.1903000       7.916000 0.2681000       7.900000      0.2701000      0.1612000E-01  0.3805000
  1 1 1      -9    2   12 o    4.901000      0.2248000       5.003000 0.3077000       4.799000      0.3278000      0.2033000      0.4496000
  1 1 1      -9    2   13 o    6.780000      0.2019000       6.684000 0.2827000       6.877000      0.2883000     -0.1926000      0.4038000
  1 1 1      -9    2   14 f    4.129000      0.2732000       4.324000 0.3815000       3.935000      0.3913000      0.3893000      0.5465000
  1 1 1      -9    2   15 f    8.697000      0.2054000       8.346000 0.2884000       9.048000      0.2926000     -0.7027000      0.4108000
  1 1 1      -9    2   16 o    6.550000      0.2321000       6.902000 0.3159000       6.198000      0.3401000      0.7040000      0.4642000
  1 1 1      -9    2   17 o    10.52000      0.3016000       10.15000 0.4305000       10.89000      0.4225000     -0.7371000      0.6031000
  1 1 1      -9    2   18 o    7.140000      0.2352000       7.135000 0.3325000       7.145000      0.3327000     -0.1014000E-01  0.4704000
  1 1 1      -9    2   19 o    5.395000      0.2783000       5.278000 0.3908000       5.512000      0.3964000     -0.2347000      0.5566000
  1 1 1      -9    2   20 o    4.494000      0.5017000       3.823000 0.7558000       5.166000      0.6599000      -1.343000       1.003000
  1 1 1      -9    2   21 o    7.485000      0.2379000       7.455000 0.3427000       7.515000      0.3300000     -0.5960000E-01  0.4757000
  1 1 1      -9    2   22 o    4.782000      0.4615000       4.782000 0.4615000                  ?              ?              ?              ?
  1 1 1      -9    2   23 o    8.686000      0.2869000       9.404000 0.4643000       7.969000      0.3372000       1.435000      0.5738000
  1 1 1      -9    2   24 o    6.086000      0.3879000                  ?       ?   6.086000      0.3879000                  ?              ?
  1 1 1      -9    2   25 o    10.16000      0.2482000       9.798000 0.3591000       10.52000      0.3428000     -0.7215000      0.4964000
  1 1 1      -9    2   26 o    12.45000      0.2563000       12.08000 0.3646000       12.83000      0.3603000     -0.7494000      0.5126000
  1 1 1      -9    2   27 o    9.206000      0.2643000       8.857000 0.3826000       9.555000      0.3647000     -0.6980000      0.5286000
  1 1 1      -9    2   28 o    3.009000      0.5569000       3.143000 0.7758000       2.876000      0.7990000      0.2665000       1.114000
  1 1 1      -9    2   29 o    3.856000      0.4863000       4.010000 0.6875000       3.703000      0.6879000      0.3066000      0.9725000
  1 1 1      -9    2   30 o    7.967000      0.3061000       8.015000 0.4386000       7.919000      0.4270000      0.9562000E-01  0.6122000
  1 1 1      -9    2   31 o    4.291000      0.5030000       4.817000 0.6251000       3.766000      0.7883000       1.051000       1.006000
  1 1 1      -9    2   32 o    4.473000      0.5087000       5.202000 0.6061000       3.743000      0.8170000       1.458000       1.017000
  1 1 1      -9    2   33 o    8.671000      0.4059000       8.706000 0.5998000       8.636000      0.5470000      0.7032000E-01  0.8117000
  1 1 1      -9    2   34 o    2.094000      0.6193000       2.340000 0.9720000       1.847000      0.7676000      0.4929000       1.239000
  1 1 1      -9    2   35 o    2.144000      0.5640000       2.923000 0.9139000       1.366000      0.6614000       1.557000       1.128000
  1 1 1      -9    2   36 o    4.367000      0.7405000       4.903000 1.031000       3.830000       1.063000       1.073000       1.481000
  1 1 1      -9    3    1 o    17.38000      0.2503000       17.26000 0.3518000       17.50000      0.3561000     -0.2430000      0.5006000
  1 1 1      -9    3    2 o    13.90000      0.3031000       14.02000 0.4352000       13.78000      0.4221000      0.2406000      0.6063000
  1 1 1      -9    3    3 o    28.64000      0.3935000       28.59000 0.5555000       28.69000      0.5575000     -0.1083000      0.7870000
  1 1 1      -9    3    4 o    20.53000      0.3568000       20.38000 0.5794000       20.68000      0.4164000     -0.2994000      0.7135000
  1 1 1      -9    3    5 o    12.22000      0.2010000       12.03000 0.2795000       12.41000      0.2889000     -0.3864000      0.4020000
  1 1 1      -9    3    6 o    6.251000      0.1832000       6.533000 0.2456000       5.969000      0.2719000      0.5638000      0.3664000
  1 1 1      -9    3    7 o    10.11000      0.1885000       10.61000 0.2637000       9.607000      0.2693000       1.004000      0.3769000
  1 1 1      -9    3    8 o    17.87000      0.2649000       17.77000 0.3709000       17.98000      0.3783000     -0.2140000      0.5298000
  1 1 1      -9    3    9 o    19.83000      0.2885000       19.81000 0.4052000       19.86000      0.4108000     -0.5591000E-01  0.5770000
  1 1 1      -9    3   10 o    15.45000      0.2420000       15.59000 0.3407000       15.31000      0.3438000      0.2849000      0.4840000
  1 1 1      -9    3   11 o    13.71000      0.2281000       13.94000 0.3189000       13.48000      0.3262000      0.4582000      0.4562000
  1 1 1      -9    3   12 o    4.334000      0.2398000       4.398000 0.3437000       4.271000      0.3345000      0.1275000      0.4796000
  1 1 1      -9    3   13 o    13.97000      0.2319000       13.84000 0.3257000       14.09000      0.3301000     -0.2521000      0.4638000
  1 1 1      -9    3   14 o    8.593000      0.2020000       8.393000 0.2858000       8.793000      0.2857000     -0.4002000      0.4041000
  1 1 1      -9    3   15 o    7.680000      0.2101000       7.756000 0.2930000       7.605000      0.3013000      0.1505000      0.4203000
  1 1 1      -9    3   16 o    8.600000      0.2957000       8.359000 0.4254000       8.841000      0.4107000     -0.4821000      0.5913000
  1 1 1      -9    3   17 o    9.693000      0.3004000       10.38000 0.4287000       9.007000      0.4208000       1.372000      0.6008000
  1 1 1      -9    3   18 o    8.945000      0.2209000       8.743000 0.3089000       9.147000      0.3158000     -0.4045000      0.4417000
  1 1 1      -9    3   19 o    2.824000      0.5661000       2.356000 0.8394000       3.291000      0.7598000     -0.9352000       1.132000
  1 1 1      -9    3   20 o    9.513000      0.3183000       9.007000 0.4452000       10.02000      0.4549000      -1.012000      0.6366000
  1 1 1      -9    3   21 o    4.293000      0.3464000       4.341000 0.4824000       4.244000      0.4972000      0.9718000E-01  0.6928000
  1 1 1      -9    3   22 o    3.949000      0.5843000       3.949000 0.5843000                  ?              ?              ?              ?
  1 1 1      -9    3   23 o    11.76000      0.2428000       11.73000 0.3475000       11.80000      0.3393000     -0.7018000E-01  0.4857000
  1 1 1      -9    3   24 o    6.133000      0.4082000                  ?       ?   6.133000      0.4082000                  ?              ?
  1 1 1      -9    3   25 o    4.667000      0.3571000       4.232000 0.5611000       5.103000      0.4419000     -0.8712000      0.7142000
  1 1 1      -9    3   26 o    9.642000      0.2522000       9.566000 0.3612000       9.718000      0.3520000     -0.1517000      0.5044000
  1 1 1      -9    3   27 o    9.826000      0.2503000       9.468000 0.3562000       10.18000      0.3517000     -0.7144000      0.5006000
  1 1 1      -9    3   28 o    2.053000      0.5218000       1.545000 0.6918000       2.561000      0.7813000      -1.016000       1.044000
  1 1 1      -9    3   29 o    10.29000      0.2680000       10.32000 0.3786000       10.27000      0.3795000      0.5352000E-01  0.5361000
  1 1 1      -9    3   30 o    7.813000      0.3153000       7.809000 0.4560000       7.817000      0.4356000     -0.7746000E-02  0.6306000
  1 1 1      -9    3   31 o    4.862000      0.4486000       4.872000 0.6409000       4.852000      0.6280000      0.2025000E-01  0.8973000
  1 1 1      -9    3   32 o    4.434000      0.4773000       4.608000 0.6707000       4.260000      0.6793000      0.3482000      0.9546000
  1 1 1      -9    3   33 o    2.633000      0.6386000       2.010000 0.8803000       3.256000      0.9254000      -1.246000       1.277000
  1 1 1      -9    3   34 o    4.236000      0.4834000       4.816000 0.6303000       3.656000      0.7331000       1.160000      0.9668000
  1 1 1      -9    3   35 o    2.719000      0.7490000       3.086000 1.110000       2.351000       1.006000      0.7355000       1.498000
  1 1 1      -9    3   36 o    2.740000      0.7507000       3.168000 1.128000       2.311000      0.9904000      0.8565000       1.501000
  1 1 1      -9    4    1 o    38.44000      0.7361000       39.19000 1.062000       37.68000       1.020000       1.508000       1.472000
  1 1 1      -9    4    2 o    12.70000      0.2030000       12.92000 0.2899000       12.49000      0.2842000      0.4340000      0.4059000
  1 1 1      -9    4    3 f    12.10000      0.1988000       11.96000 0.2796000       12.23000      0.2828000     -0.2753000      0.3976000
  1 1 1      -9    4    4 f    12.51000      0.2049000       12.71000 0.2936000       12.30000      0.2860000      0.4043000      0.4099000
  1 1 1      -9    4    5 o    20.14000      0.2891000       20.21000 0.4101000       20.07000      0.4077000      0.1395000      0.5783000
  1 1 1      -9    4    6 o    3.452000      0.2680000       3.580000 0.3618000       3.324000      0.3956000      0.2557000      0.5361000
  1 1 1      -9    4    7 o    6.249000      0.2261000       5.981000 0.3564000       6.517000      0.2783000     -0.5360000      0.4522000
  1 1 1      -9    4    8 o    12.77000      0.2127000       12.89000 0.2996000       12.65000      0.3019000      0.2359000      0.4253000
  1 1 1      -9    4    9 o    11.31000      0.2035000       11.10000 0.2802000       11.52000      0.2951000     -0.4128000      0.4069000
  1 1 1      -9    4   10 o    4.824000      0.2300000       5.037000 0.2958000       4.612000      0.3523000      0.4252000      0.4600000
  1 1 1      -9    4   11 o    5.399000      0.2205000       5.220000 0.3054000       5.579000      0.3180000     -0.3590000      0.4409000
  1 1 1      -9    4   12 o    10.42000      0.2063000       10.08000 0.2822000       10.75000      0.3010000     -0.6693000      0.4126000
  1 1 1      -9    4   13 f    10.51000      0.2121000       10.31000 0.2908000       10.72000      0.3088000     -0.4110000      0.4241000
  1 1 1      -9    4   14 o    3.926000      0.3209000       3.608000 0.4702000       4.244000      0.4367000     -0.6364000      0.6417000
  1 1 1      -9    4   15 f    13.21000      0.3346000       12.86000 0.4530000       13.57000      0.4927000     -0.7138000      0.6693000
  1 1 1      -9    4   16 o    3.145000      0.5221000       1.966000 0.7498000       4.323000      0.7268000      -2.357000       1.044000
  1 1 1      -9    4   17 o    3.718000      0.3731000       3.797000 0.4677000       3.639000      0.5813000      0.1574000      0.7461000
  1 1 1      -9    4   18 o    5.125000      0.4023000       5.421000 0.5006000       4.828000      0.6299000      0.5927000      0.8046000
  1 1 1      -9    4   19 o    2.411000      0.5961000       2.601000 0.8441000       2.221000      0.8418000      0.3802000       1.192000
  1 1 1      -9    4   20 o    2.428000      0.4483000       3.228000 0.5794000       1.627000      0.6843000       1.601000      0.8966000
  1 1 1      -9    4   21 o    7.818000      0.3101000       7.660000 0.3438000       7.977000      0.5162000     -0.3175000      0.6202000
  1 1 1      -9    4   22 o    1.567000      0.4749000       1.677000 0.7025000       1.457000      0.6392000      0.2202000      0.9497000
  1 1 1      -9    4   23 o    6.567000      0.2698000       6.176000 0.4104000       6.958000      0.3503000     -0.7826000      0.5396000
  1 1 1      -9    4   24 o    14.02000      0.2608000       13.92000 0.3739000       14.12000      0.3636000     -0.1997000      0.5215000
  1 1 1      -9    4   25 o    5.610000      0.2996000       5.878000 0.4334000       5.342000      0.4138000      0.5365000      0.5992000
  1 1 1      -9    4   26 o    11.42000      0.2516000       11.59000 0.3618000       11.25000      0.3497000      0.3396000      0.5032000
  1 1 1      -9    4   27 o    5.985000      0.3155000       5.931000 0.4482000       6.039000      0.4441000     -0.1083000      0.6309000
  1 1 1      -9    4   28 o    4.574000      0.4092000       4.174000 0.6218000       4.973000      0.5322000     -0.7986000      0.8185000
  1 1 1      -9    4   29 o    10.87000      0.2638000       10.80000 0.3703000       10.95000      0.3760000     -0.1550000      0.5277000
  1 1 1      -9    4   30 o    5.492000      0.3810000       6.064000 0.5186000       4.919000      0.5583000       1.145000      0.7620000
  1 1 1      -9    4   31 o    3.753000      0.5376000       3.618000 0.7722000       3.887000      0.7480000     -0.2690000       1.075000
  1 1 1      -9    4   32 o    6.123000      0.4662000       5.825000 0.6748000       6.421000      0.6434000     -0.5962000      0.9323000
  1 1 1      -9    4   33 o    1.588000      0.5127000       1.603000 0.7355000       1.573000      0.7143000      0.3027000E-01   1.025000
  1 1 1      -9    4   34 o    3.704000      0.5672000       3.180000 0.9138000       4.228000      0.6720000      -1.048000       1.134000
  1 1 1      -9    4   35 o    2.511000      0.7423000       2.631000 1.069000       2.391000       1.031000      0.2400000       1.485000
  1 1 1      -9    4   36 o    2.545000      0.6191000       2.477000 0.9147000       2.612000      0.8346000     -0.1350000       1.238000
  1 1 1      -9    5    1 o    12.70000      0.2005000       12.70000 0.2841000       12.70000      0.2830000     -0.8039000E-03  0.4010000
  1 1 1      -9    5    2 o    10.20000      0.1825000       10.17000 0.2580000       10.22000      0.2582000     -0.4984000E-01  0.3650000
  1 1 1      -9    5    3 o    10.39000      0.1848000       10.37000 0.2608000       10.40000      0.2620000     -0.3112000E-01  0.3697000
  1 1 1      -9    5    4 o    4.770000      0.2045000       4.681000 0.2873000       4.859000      0.2910000     -0.1788000      0.4089000
  1 1 1      -9    5    5 o    13.03000      0.2120000       13.07000 0.3017000       13.00000      0.2980000      0.6628000E-01  0.4241000
  1 1 1      -9    5    6 o    11.19000      0.1995000       11.17000 0.2832000       11.22000      0.2812000     -0.4726000E-01  0.3990000
  1 1 1      -9    5    7 o    7.204000      0.1897000       7.154000 0.2674000       7.254000      0.2691000     -0.9923000E-01  0.3794000
  1 1 1      -9    5    8 o    24.14000      0.3420000       23.99000 0.4813000       24.28000      0.4861000     -0.2955000      0.6841000
  1 1 1      -9    5    9 o    10.16000      0.2011000       10.10000 0.2855000       10.22000      0.2832000     -0.1227000      0.4021000
  1 1 1      -9    5   10 o    20.50000      0.3630000       20.11000 0.5838000       20.90000      0.4317000     -0.7903000      0.7261000
  1 1 1      -9    5   11 o    8.118000      0.1985000       7.930000 0.2660000       8.306000      0.2947000     -0.3761000      0.3970000
  1 1 1      -9    5   12 o    5.044000      0.2424000       4.852000 0.3309000       5.235000      0.3544000     -0.3833000      0.4849000
  1 1 1      -9    5   13 o    11.02000      0.2139000       11.04000 0.2960000       11.00000      0.3090000      0.4117000E-01  0.4279000
  1 1 1      -9    5   14 o    6.946000      0.3248000       7.294000 0.4158000       6.598000      0.4991000      0.6958000      0.6496000
  1 1 1      -9    5   15 o    15.27000      0.3588000       15.16000 0.4921000       15.38000      0.5223000     -0.2184000      0.7177000
  1 1 1      -9    5   16 o    8.388000      0.2277000       8.007000 0.3106000       8.769000      0.3331000     -0.7624000      0.4555000
  1 1 1      -9    5   17 o    6.876000      0.3336000       6.626000 0.4645000       7.126000      0.4788000     -0.5000000      0.6671000
  1 1 1      -9    5   18 o    5.521000      0.3722000       5.140000 0.5324000       5.902000      0.5203000     -0.7619000      0.7445000
  1 1 1      -9    5   19 o    3.587000      0.4133000       3.394000 0.5981000       3.780000      0.5706000     -0.3864000      0.8266000
  1 1 1      -9    5   20 o    14.05000      0.2533000       13.48000 0.3451000       14.63000      0.3709000      -1.148000      0.5066000
  1 1 1      -9    5   21 o    5.828000      0.2965000       5.824000 0.3896000       5.833000      0.4471000     -0.9332000E-02  0.5930000
  1 1 1      -9    5   22 o    4.265000      0.3904000       4.916000 0.4528000       3.614000      0.6361000       1.302000      0.7808000
  1 1 1      -9    5   23 o    9.745000      0.2600000       9.963000 0.3508000       9.527000      0.3838000      0.4354000      0.5200000
  1 1 1      -9    5   24 o    10.18000      0.2566000       10.34000 0.3410000       10.03000      0.3834000      0.3089000      0.5131000
  1 1 1      -9    5   25 o    2.822000      0.5574000       2.110000 0.7855000       3.535000      0.7910000      -1.425000       1.115000
  1 1 1      -9    5   26 o    5.168000      0.3869000       5.281000 0.5073000       5.054000      0.5844000      0.2270000      0.7738000
  1 1 1      -9    5   27 o    8.900000      0.2855000       8.936000 0.3866000       8.865000      0.4202000      0.7106000E-01  0.5710000
  1 1 1      -9    5   28 o    2.645000      0.5980000       2.932000 0.7756000       2.358000      0.9105000      0.5745000       1.196000
  1 1 1      -9    5   29 o    6.070000      0.3830000       5.902000 0.4961000       6.238000      0.5836000     -0.3366000      0.7660000
  1 1 1      -9    5   30 o    8.867000      0.3142000       8.591000 0.4268000       9.143000      0.4612000     -0.5518000      0.6284000
  1 1 1      -9    5   31 o    4.547000      0.7095000       5.192000 0.7610000       3.902000       1.198000       1.290000       1.419000
  1 1 1      -9    5   32 f    4.011000      0.5695000       3.875000 0.7518000       4.147000      0.8557000     -0.2726000       1.139000
  1 1 1      -9    5   33 o    1.890000      0.5786000       1.794000 0.7833000       1.987000      0.8518000     -0.1932000       1.157000
  1 1 1      -9    5   34 o    2.226000      0.6573000       2.012000 0.8735000       2.441000      0.9824000     -0.4297000       1.315000
  1 1 1      -9    5   35 o    2.082000      0.5877000       2.332000 0.8649000       1.832000      0.7960000      0.5001000       1.175000
  1 1 1      -9    6    1 o    4.395000      0.1951000       4.443000 0.2757000       4.347000      0.2761000      0.9650000E-01  0.3902000
  1 1 1      -9    6    2 o    5.877000      0.1799000       5.911000 0.2521000       5.842000      0.2568000      0.6948000E-01  0.3598000
  1 1 1      -9    6    3 o    6.461000      0.1791000       6.386000 0.2524000       6.536000      0.2542000     -0.1495000      0.3582000
  1 1 1      -9    6    4 o    11.97000      0.2010000       12.05000 0.2855000       11.89000      0.2831000      0.1537000      0.4020000
  1 1 1      -9    6    5 o    14.29000      0.2236000       14.45000 0.3191000       14.14000      0.3133000      0.3033000      0.4472000
  1 1 1      -9    6    6 o    6.853000      0.1894000       6.625000 0.2673000       7.081000      0.2683000     -0.4560000      0.3787000
  1 1 1      -9    6    7 o    8.241000      0.1945000       8.091000 0.2749000       8.392000      0.2753000     -0.3002000      0.3891000
  1 1 1      -9    6    8 o    10.79000      0.2034000       10.70000 0.2868000       10.88000      0.2885000     -0.1852000      0.4068000
  1 1 1      -9    6    9 o    14.97000      0.2401000       14.93000 0.3391000       15.02000      0.3400000     -0.9100000E-01  0.4802000
  1 1 1      -9    6   10 o    22.19000      0.3215000       22.06000 0.4529000       22.32000      0.4566000     -0.2588000      0.6431000
  1 1 1      -9    6   11 o    13.85000      0.2349000       13.82000 0.3315000       13.88000      0.3329000     -0.5730000E-01  0.4698000
  1 1 1      -9    6   12 o    8.363000      0.2140000       8.327000 0.3062000       8.399000      0.2990000     -0.7162000E-01  0.4280000
  1 1 1      -9    6   13 o    12.44000      0.3204000       12.05000 0.4274000       12.83000      0.4774000     -0.7860000      0.6407000
  1 1 1      -9    6   14 o    4.408000      0.2921000       4.175000 0.3968000       4.641000      0.4289000     -0.4664000      0.5843000
  1 1 1      -9    6   15 o    4.361000      0.3004000       4.569000 0.3643000       4.153000      0.4777000      0.4162000      0.6007000
  1 1 1      -9    6   16 o    8.798000      0.3215000       8.211000 0.4509000       9.386000      0.4584000      -1.175000      0.6430000
  1 1 1      -9    6   17 o    8.012000      0.3166000       8.182000 0.4399000       7.841000      0.4554000      0.3410000      0.6332000
  1 1 1      -9    6   18 o    8.853000      0.2318000       8.919000 0.3115000       8.786000      0.3433000      0.1334000      0.4636000
  1 1 1      -9    6   19 o    2.190000      0.4816000       1.553000 0.6521000       2.826000      0.7088000      -1.273000      0.9631000
  1 1 1      -9    6   20 o    5.377000      0.3010000       5.036000 0.4229000       5.719000      0.4284000     -0.6825000      0.6019000
  1 1 1      -9    6   21 o    11.96000      0.2445000       11.43000 0.3340000       12.50000      0.3571000      -1.066000      0.4889000
  1 1 1      -9    6   22 o    12.20000      0.2534000       12.31000 0.3466000       12.08000      0.3697000      0.2277000      0.5067000
  1 1 1      -9    6   23 o    2.684000      0.6206000       2.733000 0.7399000       2.635000      0.9966000      0.9815000E-01   1.241000
  1 1 1      -9    6   24 o    6.041000      0.3293000       5.949000 0.4429000       6.132000      0.4875000     -0.1824000      0.6586000
  1 1 1      -9    6   25 o    11.94000      0.2672000       11.58000 0.3669000       12.31000      0.3887000     -0.7279000      0.5345000
  1 1 1      -9    6   26 o    10.32000      0.2735000       10.16000 0.3715000       10.47000      0.4016000     -0.3081000      0.5471000
  1 1 1      -9    6   27 o    2.345000      0.5859000       2.551000 0.8122000       2.140000      0.8447000      0.4112000       1.172000
  1 1 1      -9    6   28 o    2.096000      0.6020000       1.960000 0.8048000       2.233000      0.8954000     -0.2725000       1.204000
  1 1 1      -9    6   29 o    7.565000      0.3412000       7.429000 0.4607000       7.701000      0.5034000     -0.2716000      0.6824000
  1 1 1      -9    6   30 o    3.387000      0.7719000       2.813000 0.9804000       3.960000       1.193000      -1.147000       1.544000
  1 1 1      -9    6   31 o    2.975000      0.6063000       1.970000 0.8680000       3.979000      0.8468000      -2.009000       1.213000
  1 1 1      -9    6   32 o    5.160000      0.4593000       5.225000 0.5661000       5.095000      0.7235000      0.1303000      0.9186000
  1 1 1      -9    6   33 o    2.892000      0.7260000       2.643000 0.9852000       3.141000       1.067000     -0.4978000       1.452000
  1 1 1      -9    6   34 o    2.936000      0.6288000       2.809000 0.8896000       3.063000      0.8889000     -0.2535000       1.258000
  1 1 1      -9    6   35 o    1.681000      0.5346000       1.529000 0.7127000       1.833000      0.7969000     -0.3042000       1.069000
  1 1 1      -9    7    1 f    8.539000      0.1695000       8.605000 0.2427000       8.473000      0.2367000      0.1317000      0.3390000
  1 1 1      -9    7    2 o    10.89000      0.1872000       10.69000 0.2637000       11.08000      0.2658000     -0.3857000      0.3744000
  1 1 1      -9    7    3 o    6.701000      0.1778000       7.103000 0.2504000       6.299000      0.2524000      0.8043000      0.3556000
  1 1 1      -9    7    4 o    10.61000      0.1912000       10.50000 0.2721000       10.72000      0.2686000     -0.2205000      0.3823000
  1 1 1      -9    7    5 o    17.46000      0.2596000       17.63000 0.3707000       17.29000      0.3634000      0.3330000      0.5191000
  1 1 1      -9    7    6 o    16.49000      0.2497000       16.50000 0.3536000       16.48000      0.3527000      0.1566000E-01  0.4994000
  1 1 1      -9    7    7 o    5.411000      0.2175000       5.051000 0.3279000       5.772000      0.2857000     -0.7217000      0.4349000
  1 1 1      -9    7    8 o    6.984000      0.2027000       7.146000 0.2841000       6.822000      0.2892000      0.3246000      0.4054000
  1 1 1      -9    7    9 o    18.34000      0.2762000       18.65000 0.3959000       18.04000      0.3852000      0.6177000      0.5524000
  1 1 1      -9    7   10 o    12.40000      0.2229000       12.53000 0.3157000       12.28000      0.3148000      0.2464000      0.4458000
  1 1 1      -9    7   11 o    2.196000      0.5487000       2.062000 0.7472000       2.329000      0.8038000     -0.2669000       1.097000
  1 1 1      -9    7   12 o    10.00000      0.2937000       9.819000 0.4019000       10.19000      0.4284000     -0.3697000      0.5874000
  1 1 1      -9    7   13 o    4.245000      0.3142000       4.036000 0.4687000       4.454000      0.4185000     -0.4179000      0.6284000
  1 1 1      -9    7   14 f    4.715000      0.2959000       4.628000 0.4303000       4.802000      0.4063000     -0.1741000      0.5918000
  1 1 1      -9    7   15 o    3.326000      0.7182000                  ?       ?   3.326000      0.7182000                  ?              ?
  1 1 1      -9    7   16 o    13.06000      0.3319000       12.86000 0.4623000       13.25000      0.4765000     -0.3939000      0.6639000
  1 1 1      -9    7   17 o    6.487000      0.2515000       6.950000 0.3190000       6.023000      0.3888000      0.9267000      0.5029000
  1 1 1      -9    7   18 o    2.230000      0.5017000       1.662000 0.6746000       2.798000      0.7429000      -1.136000       1.003000
  1 1 1      -9    7   19 o    5.787000      0.2777000       5.264000 0.3929000       6.310000      0.3924000      -1.047000      0.5553000
  1 1 1      -9    7   20 o    5.953000      0.2773000       5.732000 0.3741000       6.173000      0.4095000     -0.4409000      0.5546000
  1 1 1      -9    7   21 o    15.82000      0.2697000       16.18000 0.3787000       15.45000      0.3842000      0.7306000      0.5395000
  1 1 1      -9    7   22 o    9.219000      0.2542000       9.315000 0.3354000       9.124000      0.3820000      0.1909000      0.5084000
  1 1 1      -9    7   23 o    4.407000      0.5148000       4.407000 0.5148000                  ?              ?              ?              ?
  1 1 1      -9    7   24 o    11.26000      0.2628000       11.30000 0.3541000       11.21000      0.3884000      0.9622000E-01  0.5256000
  1 1 1      -9    7   25 o    9.617000      0.4029000                  ?       ?   9.617000      0.4029000                  ?              ?
  1 1 1      -9    7   26 o    6.579000      0.3314000       6.751000 0.4300000       6.408000      0.5044000      0.3428000      0.6628000
  1 1 1      -9    7   27 o    9.862000      0.2885000       9.661000 0.3894000       10.06000      0.4257000     -0.4022000      0.5769000
  1 1 1      -9    7   28 o    7.084000      0.3448000       6.867000 0.4688000       7.301000      0.5058000     -0.4339000      0.6896000
  1 1 1      -9    7   29 o    3.147000      0.7592000       3.251000 0.9709000       3.044000       1.167000      0.2060000       1.518000
  1 1 1      -9    7   30 o    2.174000      0.6890000       1.762000 0.8219000       2.586000       1.106000     -0.8234000       1.378000
  1 1 1      -9    7   31 o    3.980000      0.5715000       3.984000 0.7183000       3.976000      0.8891000      0.8352000E-02   1.143000
  1 1 1      -9    7   32 o    9.149000      0.4203000       9.487000 0.5713000       8.812000      0.6167000      0.6751000      0.8407000
  1 1 1      -9    7   33 o    3.506000      0.6476000       4.057000 0.7187000       2.956000       1.077000       1.102000       1.295000
  1 1 1      -9    7   34 o    2.399000      0.6208000       2.034000 0.8461000       2.765000      0.9087000     -0.7312000       1.242000
  1 1 1      -9    7   35 o    2.180000      0.6061000       2.340000 0.8920000       2.020000      0.8208000      0.3203000       1.212000
  1 1 1      -9    8    1 o    16.71000      0.2445000       16.81000 0.3479000       16.61000      0.3438000      0.1921000      0.4891000
  1 1 1      -9    8    2 o    5.896000      0.1781000       5.947000 0.2485000       5.846000      0.2551000      0.1006000      0.3561000
  1 1 1      -9    8    3 o    6.098000      0.2182000       5.907000 0.3495000       6.289000      0.2612000     -0.3826000      0.4363000
  1 1 1      -9    8    4 o    5.401000      0.2061000       5.016000 0.3090000       5.786000      0.2727000     -0.7696000      0.4121000
  1 1 1      -9    8    5 o    2.349000      0.3811000       2.124000 0.5659000       2.575000      0.5105000     -0.4507000      0.7621000
  1 1 1      -9    8    6 o    8.764000      0.1904000       8.686000 0.2720000       8.842000      0.2664000     -0.1560000      0.3808000
  1 1 1      -9    8    7 o    5.371000      0.2224000       5.513000 0.3029000       5.229000      0.3259000      0.2838000      0.4449000
  1 1 1      -9    8    8 o    10.54000      0.2032000       10.80000 0.2917000       10.27000      0.2830000      0.5348000      0.4064000
  1 1 1      -9    8    9 o    15.82000      0.2506000       15.79000 0.3548000       15.85000      0.3539000     -0.5474000E-01  0.5011000
  1 1 1      -9    8   10 o    2.706000      0.4922000       3.325000 0.6023000       2.086000      0.7788000       1.239000      0.9845000
  1 1 1      -9    8   11 o    5.239000      0.3585000       5.894000 0.4200000       4.585000      0.5812000       1.308000      0.7171000
  1 1 1      -9    8   12 o    1.680000      0.4408000       2.101000 0.6670000       1.260000      0.5764000      0.8409000      0.8816000
  1 1 1      -9    8   13 o    6.252000      0.2389000       5.762000 0.3334000       6.742000      0.3423000     -0.9800000      0.4778000
  1 1 1      -9    8   14 o    9.729000      0.3338000       9.974000 0.4974000       9.484000      0.4454000      0.4898000      0.6676000
  1 1 1      -9    8   15 o    6.785000      0.2599000       6.736000 0.3662000       6.833000      0.3688000     -0.9781000E-01  0.5198000
  1 1 1      -9    8   16 o    5.020000      0.3093000       5.112000 0.4116000       4.928000      0.4618000      0.1837000      0.6186000
  1 1 1      -9    8   17 o    9.582000      0.2438000       9.232000 0.3471000       9.933000      0.3426000     -0.7008000      0.4877000
  1 1 1      -9    8   18 o    6.220000      0.2732000       6.637000 0.3352000       5.803000      0.4313000      0.8338000      0.5463000
  1 1 1      -9    8   19 o    8.816000      0.2410000       8.764000 0.3299000       8.868000      0.3514000     -0.1039000      0.4820000
  1 1 1      -9    8   20 o    9.223000      0.2390000       9.312000 0.3171000       9.133000      0.3576000      0.1791000      0.4779000
  1 1 1      -9    8   21 o    5.952000      0.2911000       6.084000 0.3697000       5.820000      0.4497000      0.2639000      0.5822000
  1 1 1      -9    8   22 o    6.788000      0.2872000       7.158000 0.3643000       6.419000      0.4442000      0.7388000      0.5745000
  1 1 1      -9    8   23 o    11.15000      0.2946000       11.80000 0.3471000       10.50000      0.4761000       1.299000      0.5892000
  1 1 1      -9    8   24 o    17.00000      0.2939000       17.19000 0.4055000       16.81000      0.4255000      0.3782000      0.5878000
  1 1 1      -9    8   25 o    9.939000      0.3988000                  ?       ?   9.939000      0.3988000                  ?              ?
  1 1 1      -9    8   26 o    10.94000      0.2760000       10.84000 0.3773000       11.05000      0.4029000     -0.2026000      0.5519000
  1 1 1      -9    8   27 o    6.175000      0.3602000       5.920000 0.4912000       6.430000      0.5271000     -0.5101000      0.7205000
  1 1 1      -9    8   28 o    5.707000      0.5484000       5.014000 0.7643000       6.400000      0.7865000      -1.386000       1.097000
  1 1 1      -9    8   29 o    2.301000      0.6897000       2.345000 0.9424000       2.257000       1.007000      0.8789000E-01   1.379000
  1 1 1      -9    8   30 f    2.319000      0.6269000       2.502000 0.8670000       2.136000      0.9058000      0.3662000       1.254000
  1 1 1      -9    8   31 o    4.553000      0.6602000       3.844000 1.027000       5.261000      0.8302000      -1.417000       1.320000
  1 1 1      -9    8   32 o    6.466000      0.4562000       6.201000 0.4880000       6.730000      0.7709000     -0.5288000      0.9124000
  1 1 1      -9    8   33 o    1.936000      0.5694000       1.773000 0.7770000       2.100000      0.8325000     -0.3269000       1.139000
  1 1 1      -9    8   34 o    2.583000      0.5977000       2.113000 0.8421000       3.053000      0.8485000     -0.9400000       1.195000
  1 1 1      -9    9    1 o    6.243000      0.1754000       6.166000 0.2522000       6.320000      0.2440000     -0.1536000      0.3509000
  1 1 1      -9    9    2 o    7.453000      0.1759000       7.590000 0.2512000       7.315000      0.2464000      0.2752000      0.3518000
  1 1 1      -9    9    3 o    3.605000      0.2544000       3.467000 0.3697000       3.743000      0.3496000     -0.2755000      0.5089000
  1 1 1      -9    9    4 o    12.75000      0.2083000       12.57000 0.2927000       12.94000      0.2965000     -0.3679000      0.4166000
  1 1 1      -9    9    5 o    11.54000      0.2024000       11.70000 0.2895000       11.37000      0.2829000      0.3313000      0.4048000
  1 1 1      -9    9    6 o    11.56000      0.2045000       11.57000 0.2907000       11.54000      0.2879000      0.2800000E-01  0.4091000
  1 1 1      -9    9    7 o    2.471000      0.3999000       2.161000 0.5930000       2.782000      0.5368000     -0.6208000      0.7998000
  1 1 1      -9    9    8 o    5.238000      0.3153000       5.039000 0.4261000       5.437000      0.4649000     -0.3986000      0.6306000
  1 1 1      -9    9    9 o    10.48000      0.2875000       10.16000 0.3908000       10.79000      0.4218000     -0.6288000      0.5750000
  1 1 1      -9    9   10 o    4.032000      0.3084000       3.715000 0.4727000       4.349000      0.3964000     -0.6336000      0.6169000
  1 1 1      -9    9   11 o    7.556000      0.2176000       7.279000 0.3169000       7.834000      0.2982000     -0.5544000      0.4351000
  1 1 1      -9    9   12 o    6.116000      0.3607000       5.748000 0.5853000       6.483000      0.4216000     -0.7354000      0.7214000
  1 1 1      -9    9   13 o    6.787000      0.3624000       6.823000 0.5498000       6.750000      0.4724000      0.7300000E-01  0.7248000
  1 1 1      -9    9   14 o    8.992000      0.2323000       9.035000 0.3297000       8.948000      0.3275000      0.8734000E-01  0.4647000
  1 1 1      -9    9   15 o    2.678000      0.5051000       2.959000 0.6614000       2.397000      0.7635000      0.5623000       1.010000
  1 1 1      -9    9   16 o    9.491000      0.2395000       9.977000 0.3353000       9.005000      0.3421000      0.9719000      0.4790000
  1 1 1      -9    9   17 o    4.296000      0.3720000       4.067000 0.5298000       4.525000      0.5223000     -0.4575000      0.7440000
  1 1 1      -9    9   18 o    9.500000      0.2499000       9.272000 0.3510000       9.727000      0.3558000     -0.4550000      0.4998000
  1 1 1      -9    9   19 o    2.953000      0.5058000       2.682000 0.7364000       3.225000      0.6936000     -0.5436000       1.012000
  1 1 1      -9    9   20 o    7.337000      0.2594000       7.285000 0.3396000       7.389000      0.3923000     -0.1039000      0.5189000
  1 1 1      -9    9   21 o    2.475000      0.5111000       2.887000 0.6683000       2.063000      0.7734000      0.8239000       1.022000
  1 1 1      -9    9   22 o    4.476000      0.3966000       4.697000 0.4808000       4.255000      0.6308000      0.4421000      0.7932000
  1 1 1      -9    9   23 o    7.566000      0.2839000       8.010000 0.3622000       7.121000      0.4374000      0.8896000      0.5678000
  1 1 1      -9    9   24 o    13.52000      0.2696000       13.38000 0.3644000       13.66000      0.3973000     -0.2880000      0.5392000
  1 1 1      -9    9   25 o    10.09000      0.3299000       9.833000 0.5195000       10.35000      0.4068000     -0.5131000      0.6598000
  1 1 1      -9    9   26 o    4.208000      0.4646000       4.207000 0.6180000       4.209000      0.6938000     -0.2633000E-02  0.9292000
  1 1 1      -9    9   27 o    2.832000      0.7346000       2.714000 0.9808000       2.950000       1.094000     -0.2354000       1.469000
  1 1 1      -9    9   28 o    3.107000      0.6163000       3.262000 0.8157000       2.951000      0.9240000      0.3112000       1.233000
  1 1 1      -9    9   29 o    4.506000      0.5300000       4.055000 0.7653000       4.958000      0.7334000     -0.9031000       1.060000
  1 1 1      -9    9   30 o    5.389000      0.5827000       5.534000 0.7649000       5.243000      0.8794000      0.2911000       1.165000
  1 1 1      -9    9   31 o    5.592000      0.5172000       5.184000 0.5947000       6.000000      0.8463000     -0.8154000       1.034000
  1 1 1      -9    9   32 o    1.914000      0.5832000       1.937000 0.8242000       1.891000      0.8254000      0.4617000E-01   1.166000
  1 1 1      -9    9   33 o    3.110000      0.6961000       3.294000 0.8730000       2.927000       1.084000      0.3665000       1.392000
  1 1 1      -9    9   34 o    1.662000      0.5278000       1.456000 0.6958000       1.869000      0.7939000     -0.4138000       1.056000
  1 1 1      -9   10    1 o    3.731000      0.2325000       3.847000 0.3270000       3.616000      0.3305000      0.2305000      0.4649000
  1 1 1      -9   10    2 o    4.805000      0.1982000       4.499000 0.2939000       5.111000      0.2659000     -0.6121000      0.3964000
  1 1 1      -9   10    3 o    3.932000      0.2437000       3.668000 0.3671000       4.197000      0.3205000     -0.5283000      0.4873000
  1 1 1      -9   10    4 o    6.838000      0.1887000       6.968000 0.2679000       6.707000      0.2659000      0.2615000      0.3774000
  1 1 1      -9   10    5 f    4.678000      0.2328000       4.533000 0.3334000       4.823000      0.3250000     -0.2896000      0.4655000
  1 1 1      -9   10    6 o    6.389000      0.2674000       6.152000 0.3582000       6.626000      0.3972000     -0.4735000      0.5349000
  1 1 1      -9   10    7 o    1.952000      0.4948000       2.104000 0.7010000       1.800000      0.6986000      0.3037000      0.9897000
  1 1 1      -9   10    8 o    1.678000      0.4456000       1.751000 0.6343000       1.604000      0.6261000      0.1469000      0.8912000
  1 1 1      -9   10    9 o    2.766000      0.4099000       2.901000 0.5461000       2.631000      0.6113000      0.2703000      0.8197000
  1 1 1      -9   10   10 o    2.689000      0.5595000       2.590000 0.8392000       2.787000      0.7402000     -0.1969000       1.119000
  1 1 1      -9   10   11 o    4.327000      0.4810000       3.667000 0.8394000       4.987000      0.4700000      -1.320000      0.9620000
  1 1 1      -9   10   12 o    4.596000      0.3089000       4.613000 0.4427000       4.580000      0.4308000      0.3340000E-01  0.6178000
  1 1 1      -9   10   13 o    5.237000      0.2835000       5.387000 0.3903000       5.086000      0.4113000      0.3015000      0.5670000
  1 1 1      -9   10   14 o    7.876000      0.2355000       7.725000 0.3405000       8.026000      0.3254000     -0.3007000      0.4710000
  1 1 1      -9   10   15 f    5.109000      0.2974000       5.300000 0.4002000       4.917000      0.4401000      0.3830000      0.5949000
  1 1 1      -9   10   16 o    3.837000      0.3765000       3.884000 0.5309000       3.789000      0.5341000      0.9531000E-01  0.7531000
  1 1 1      -9   10   17 o    2.953000      0.4963000       3.127000 0.6928000       2.778000      0.7108000      0.3493000      0.9926000
  1 1 1      -9   10   18 o    13.90000      0.2588000       13.79000 0.3660000       14.02000      0.3660000     -0.2270000      0.5176000
  1 1 1      -9   10   19 o    11.35000      0.2505000       11.32000 0.3548000       11.37000      0.3538000     -0.4547000E-01  0.5011000
  1 1 1      -9   10   20 o    5.630000      0.3267000       5.426000 0.4722000       5.833000      0.4515000     -0.4071000      0.6533000
  1 1 1      -9   10   21 o    7.711000      0.2775000       7.679000 0.3932000       7.743000      0.3917000     -0.6382000E-01  0.5550000
  1 1 1      -9   10   22 o    2.550000      0.5328000       2.849000 0.6967000       2.252000      0.8062000      0.5968000       1.066000
  1 1 1      -9   10   23 o    7.561000      0.2762000       7.116000 0.3671000       8.005000      0.4127000     -0.8890000      0.5524000
  1 1 1      -9   10   24 o    4.592000      0.4394000       4.892000 0.4892000       4.291000      0.7301000      0.6012000      0.8788000
  1 1 1      -9   10   25 o    4.531000      0.4222000       4.403000 0.5450000       4.659000      0.6449000     -0.2561000      0.8443000
  1 1 1      -9   10   26 o    4.945000      0.6182000       4.611000 0.8122000       5.279000      0.9323000     -0.6684000       1.236000
  1 1 1      -9   10   27 o    5.731000      0.4105000       6.245000 0.4800000       5.218000      0.6660000       1.027000      0.8209000
  1 1 1      -9   10   28 o    4.321000      0.5095000       4.235000 0.6837000       4.408000      0.7556000     -0.1732000       1.019000
  1 1 1      -9   10   29 o    7.320000      0.5073000       6.122000 0.7508000       8.518000      0.6825000      -2.397000       1.015000
  1 1 1      -9   10   30 o    7.333000      0.3505000       7.048000 0.4703000       7.618000      0.5199000     -0.5697000      0.7011000
  1 1 1      -9   10   31 o    9.276000      0.3191000       9.816000 0.4053000       8.736000      0.4929000       1.080000      0.6382000
  1 1 1      -9   10   32 o    1.967000      0.5867000       1.716000 0.7776000       2.218000      0.8788000     -0.5019000       1.173000
  1 1 1      -9   10   33 o    2.647000      0.6281000       2.915000 0.8702000       2.379000      0.9060000      0.5354000       1.256000
  1 1 1      -9   11    1 o    1.976000      0.3946000       2.190000 0.5570000       1.762000      0.5590000      0.4279000      0.7891000
  1 1 1      -9   11    2 o    9.924000      0.1843000       10.03000 0.2657000       9.818000      0.2554000      0.2118000      0.3685000
  1 1 1      -9   11    3 o    5.625000      0.1970000       5.400000 0.2890000       5.850000      0.2677000     -0.4503000      0.3940000
  1 1 1      -9   11    5 o    9.415000      0.2621000       9.319000 0.3619000       9.511000      0.3792000     -0.1916000      0.5242000
  1 1 1      -9   11    6 o    3.718000      0.2828000       3.465000 0.4281000       3.972000      0.3697000     -0.5067000      0.5656000
  1 1 1      -9   11    7 o    5.956000      0.2136000       5.714000 0.3063000       6.198000      0.2979000     -0.4840000      0.4272000
  1 1 1      -9   11    8 f    4.079000      0.4619000       3.453000 0.7850000       4.706000      0.4871000      -1.253000      0.9239000
  1 1 1      -9   11    9 o    4.260000      0.4294000       4.457000 0.6703000       4.064000      0.5371000      0.3936000      0.8589000
  1 1 1      -9   11   10 o    1.892000      0.4754000       2.209000 0.6939000       1.575000      0.6501000      0.6341000      0.9509000
  1 1 1      -9   11   11 o    6.527000      0.2427000       6.637000 0.3482000       6.418000      0.3383000      0.2190000      0.4855000
  1 1 1      -9   11   12 o    9.205000      0.2196000       9.308000 0.3129000       9.101000      0.3083000      0.2065000      0.4392000
  1 1 1      -9   11   13 o    7.850000      0.2318000       7.628000 0.3329000       8.071000      0.3228000     -0.4431000      0.4637000
  1 1 1      -9   11   14 o    3.875000      0.3686000       4.013000 0.5015000       3.736000      0.5403000      0.2766000      0.7372000
  1 1 1      -9   11   15 o    6.734000      0.2605000       6.745000 0.3547000       6.723000      0.3816000      0.2224000E-01  0.5210000
  1 1 1      -9   11   16 o    9.294000      0.2379000       9.373000 0.3351000       9.215000      0.3379000      0.1578000      0.4759000
  1 1 1      -9   11   17 o    3.085000      0.4900000       3.006000 0.7002000       3.163000      0.6856000     -0.1566000      0.9800000
  1 1 1      -9   11   18 o    3.558000      0.4588000       3.260000 0.6936000       3.856000      0.6009000     -0.5953000      0.9177000
  1 1 1      -9   11   19 o    7.602000      0.2712000       7.597000 0.3844000       7.607000      0.3828000     -0.1080000E-01  0.5425000
  1 1 1      -9   11   20 o    1.731000      0.5201000       1.731000 0.7357000       1.730000      0.7355000      0.3158000E-03   1.040000
  1 1 1      -9   11   21 o    5.790000      0.3271000       5.877000 0.4626000       5.704000      0.4625000      0.1734000      0.6542000
  1 1 1      -9   11   22 o    4.034000      0.4928000       4.473000 0.5881000       3.594000      0.7910000      0.8789000      0.9857000
  1 1 1      -9   11   23 o    3.183000      0.5763000       3.443000 0.7421000       2.923000      0.8819000      0.5196000       1.153000
  1 1 1      -9   11   24 o    3.329000      0.5796000       2.985000 0.6540000       3.673000      0.9571000     -0.6877000       1.159000
  1 1 1      -9   11   25 o    4.362000      0.6453000       5.003000 0.6675000       3.721000       1.104000       1.282000       1.291000
  1 1 1      -9   11   26 o    7.321000      0.3287000       6.800000 0.4434000       7.843000      0.4853000      -1.044000      0.6574000
  1 1 1      -9   11   27 o    2.410000      0.6298000       2.359000 0.8527000       2.462000      0.9271000     -0.1025000       1.260000
  1 1 1      -9   11   28 o    4.737000      0.6957000       5.157000 0.8771000       4.316000       1.080000      0.8413000       1.391000
  1 1 1      -9   11   29 o    4.394000      0.5306000       3.634000 0.7923000       5.154000      0.7059000      -1.520000       1.061000
  1 1 1      -9   11   30 o    3.214000      0.6359000       2.884000 0.8835000       3.544000      0.9148000     -0.6600000       1.272000
  1 1 1      -9   11   31 o    3.922000      0.5688000       3.706000 0.7695000       4.139000      0.8378000     -0.4334000       1.138000
  1 1 1      -9   11   32 o    2.304000      0.6259000       2.545000 0.9062000       2.062000      0.8637000      0.4832000       1.252000
  1 1 1      -9   11   33 o    2.379000      0.6290000       2.250000 0.8760000       2.508000      0.9028000     -0.2582000       1.258000
  1 1 1      -9   12    1 f    5.239000      0.2865000       4.866000 0.4064000       5.612000      0.4038000     -0.7465000      0.5729000
  1 1 1      -9   12    2 o    10.54000      0.2636000       10.37000 0.3674000       10.72000      0.3782000     -0.3506000      0.5273000
  1 1 1      -9   12    3 o    2.832000      0.4274000       3.297000 0.4953000       2.367000      0.6967000      0.9294000      0.8548000
  1 1 1      -9   12    4 o    6.268000      0.1983000       6.404000 0.2745000       6.132000      0.2862000      0.2721000      0.3965000
  1 1 1      -9   12    5 o    10.63000      0.2592000       10.63000 0.4353000       10.63000      0.2815000      0.3268000E-02  0.5184000
  1 1 1      -9   12    6 o    3.465000      0.4805000       3.796000 0.6882000       3.134000      0.6709000      0.6624000      0.9611000
  1 1 1      -9   12    7 o    2.374000      0.5508000       2.417000 0.8331000       2.331000      0.7207000      0.8599000E-01   1.102000
  1 1 1      -9   12    8 o    1.564000      0.4405000       1.310000 0.5854000       1.819000      0.6584000     -0.5085000      0.8811000
  1 1 1      -9   12    9 f    1.677000      0.4520000       1.859000 0.6643000       1.495000      0.6132000      0.3637000      0.9041000
  1 1 1      -9   12   10 o    5.193000      0.2692000       5.259000 0.3834000       5.126000      0.3780000      0.1330000      0.5384000
  1 1 1      -9   12   11 o    4.308000      0.3135000       4.414000 0.4353000       4.202000      0.4514000      0.2117000      0.6271000
  1 1 1      -9   12   12 o    5.123000      0.2764000       5.495000 0.3665000       4.750000      0.4139000      0.7445000      0.5528000
  1 1 1      -9   12   13 o    5.083000      0.2873000       5.602000 0.3702000       4.564000      0.4395000       1.038000      0.5747000
  1 1 1      -9   12   14 o    6.601000      0.2561000       6.363000 0.3733000       6.839000      0.3507000     -0.4762000      0.5122000
  1 1 1      -9   12   15 o    3.636000      0.4017000       3.954000 0.5029000       3.318000      0.6266000      0.6362000      0.8035000
  1 1 1      -9   12   16 o    3.011000      0.4716000       2.961000 0.6621000       3.060000      0.6717000     -0.9847000E-01  0.9432000
  1 1 1      -9   12   17 o    1.565000      0.4781000       1.413000 0.6436000       1.717000      0.7071000     -0.3041000      0.9561000
  1 1 1      -9   12   18 o    14.99000      0.2664000       14.82000 0.3748000       15.15000      0.3788000     -0.3319000      0.5329000
  1 1 1      -9   12   19 f    13.45000      0.2642000       13.54000 0.3758000       13.37000      0.3713000      0.1725000      0.5283000
  1 1 1      -9   12   20 o    1.613000      0.4996000       1.629000 0.7069000       1.597000      0.7063000      0.3155000E-01  0.9993000
  1 1 1      -9   12   21 o    2.719000      0.5615000       2.607000 0.7725000       2.832000      0.8151000     -0.2252000       1.123000
  1 1 1      -9   12   22 o    2.021000      0.5472000       1.404000 0.6518000       2.639000      0.8792000      -1.235000       1.094000
  1 1 1      -9   12   23 o    1.929000      0.6088000       1.787000 0.7916000       2.070000      0.9252000     -0.2836000       1.218000
  1 1 1      -9   12   24 o    5.708000      0.6078000       5.708000 0.6078000                  ?              ?              ?              ?
  1 1 1      -9   12   25 o    4.910000      0.5136000       5.824000 0.6053000       3.996000      0.8300000       1.829000       1.027000
  1 1 1      -9   12   26 o    2.635000       1.076000                  ?       ?   2.635000       1.076000                  ?              ?
  1 1 1      -9   12   27 o    7.845000      0.4417000       7.323000 0.6184000       8.367000      0.6309000      -1.044000      0.8835000
  1 1 1      -9   12   28 o    2.913000      0.6364000       3.394000 0.8395000       2.432000      0.9567000      0.9616000       1.273000
  1 1 1      -9   12   29 o    3.777000      0.5836000       3.128000 0.8669000       4.427000      0.7816000      -1.299000       1.167000
  1 1 1      -9   12   30 o    4.623000      0.4917000       4.230000 0.7150000       5.016000      0.6751000     -0.7858000      0.9834000
  1 1 1      -9   12   31 o    2.400000      0.6226000       2.826000 0.9167000       1.974000      0.8426000      0.8524000       1.245000
  1 1 1      -9   12   32 o    3.500000      0.5970000       4.097000 0.7740000       2.903000      0.9090000       1.194000       1.194000
  1 1 1      -9   13    1 o    5.876000      0.1998000       6.011000 0.2889000       5.741000      0.2761000      0.2700000      0.3996000
  1 1 1      -9   13    2 o    7.471000      0.1882000       7.142000 0.2767000       7.801000      0.2552000     -0.6595000      0.3764000
  1 1 1      -9   13    3 o    4.858000      0.2112000       4.769000 0.2877000       4.948000      0.3093000     -0.1788000      0.4224000
  1 1 1      -9   13    4 o    6.589000      0.3082000       6.367000 0.4716000       6.811000      0.3967000     -0.4443000      0.6163000
  1 1 1      -9   13    5 o    2.092000      0.5370000       2.097000 0.7774000       2.087000      0.7410000      0.9894000E-02   1.074000
  1 1 1      -9   13    6 o    7.838000      0.2053000       8.056000 0.2968000       7.620000      0.2838000      0.4355000      0.4107000
  1 1 1      -9   13    7 o    1.417000      0.4242000       1.270000 0.5701000       1.564000      0.6282000     -0.2937000      0.8483000
  1 1 1      -9   13    8 o    3.183000      0.3657000       2.948000 0.5444000       3.419000      0.4885000     -0.4714000      0.7315000
  1 1 1      -9   13    9 o    4.070000      0.3007000       4.292000 0.4099000       3.847000      0.4402000      0.4448000      0.6015000
  1 1 1      -9   13   10 o    10.51000      0.2171000       10.34000 0.3070000       10.67000      0.3071000     -0.3338000      0.4342000
  1 1 1      -9   13   11 o    6.544000      0.2313000       6.491000 0.3270000       6.597000      0.3270000     -0.1053000      0.4625000
  1 1 1      -9   13   12 f    4.067000      0.3412000       4.458000 0.4409000       3.677000      0.5210000      0.7813000      0.6825000
  1 1 1      -9   13   13 o    7.067000      0.2366000       7.048000 0.3317000       7.087000      0.3377000     -0.3943000E-01  0.4733000
  1 1 1      -9   13   14 o    6.871000      0.2491000       6.732000 0.3498000       7.009000      0.3546000     -0.2772000      0.4981000
  1 1 1      -9   13   15 o    4.219000      0.3556000       3.971000 0.5195000       4.467000      0.4856000     -0.4966000      0.7111000
  1 1 1      -9   13   16 o    2.831000      0.4873000       3.563000 0.6115000       2.099000      0.7588000       1.463000      0.9746000
  1 1 1      -9   13   17 o    6.745000      0.2751000       7.067000 0.3747000       6.424000      0.4029000      0.6431000      0.5502000
  1 1 1      -9   13   18 o    12.40000      0.2534000       12.47000 0.3619000       12.32000      0.3548000      0.1553000      0.5068000
  1 1 1      -9   13   19 o    7.893000      0.2736000       7.613000 0.3907000       8.173000      0.3832000     -0.5595000      0.5473000
  1 1 1      -9   13   20 f    7.161000      0.2934000       6.795000 0.4280000       7.526000      0.4014000     -0.7305000      0.5868000
  1 1 1      -9   13   21 o    4.700000      0.3752000       5.111000 0.5266000       4.290000      0.5346000      0.8215000      0.7504000
  1 1 1      -9   13   22 o    5.710000      0.4691000       5.465000 0.5881000       5.956000      0.7309000     -0.4914000      0.9382000
  1 1 1      -9   13   23 o    3.675000      0.5408000       3.460000 0.7676000       3.891000      0.7621000     -0.4303000       1.082000
  1 1 1      -9   13   24 o    6.045000      0.4309000       6.107000 0.5186000       5.982000      0.6884000      0.1253000      0.8619000
  1 1 1      -9   13   25 o    1.891000      0.6459000       2.123000 1.019000       1.658000      0.7940000      0.4645000       1.292000
  1 1 1      -9   13   26 o    1.904000      0.8457000                  ?       ?   1.904000      0.8457000                  ?              ?
  1 1 1      -9   13   27 o    3.044000      0.6679000       2.635000 0.9724000       3.453000      0.9158000     -0.8179000       1.336000
  1 1 1      -9   13   28 o    2.896000      0.6257000       2.936000 0.8240000       2.857000      0.9419000      0.7841000E-01   1.251000
  1 1 1      -9   13   29 o    2.723000      0.6503000       2.479000 0.8749000       2.967000      0.9623000     -0.4878000       1.301000
  1 1 1      -9   13   30 o    2.639000      0.6366000       2.825000 0.8916000       2.452000      0.9089000      0.3728000       1.273000
  1 1 1      -9   13   31 o    2.272000      0.6346000       2.469000 0.9264000       2.076000      0.8675000      0.3933000       1.269000
  1 1 1      -9   14    1 o    4.677000      0.3307000       4.774000 0.5003000       4.581000      0.4325000      0.1931000      0.6613000
  1 1 1      -9   14    2 o    3.835000      0.3935000       4.380000 0.5413000       3.289000      0.5712000       1.091000      0.7869000
  1 1 1      -9   14    3 o    1.311000      0.4089000       1.433000 0.6168000       1.190000      0.5370000      0.2433000      0.8178000
  1 1 1      -9   14    4 o    9.875000      0.2015000       10.28000 0.2909000       9.469000      0.2791000      0.8123000      0.4031000
  1 1 1      -9   14    5 f    6.530000      0.2093000       6.529000 0.3025000       6.530000      0.2894000     -0.6251000E-03  0.4186000
  1 1 1      -9   14    6 o    4.987000      0.2438000       4.852000 0.3542000       5.122000      0.3351000     -0.2707000      0.4876000
  1 1 1      -9   14    7 o    4.167000      0.2875000       4.062000 0.4170000       4.273000      0.3960000     -0.2113000      0.5750000
  1 1 1      -9   14    8 o    11.22000      0.2165000       11.18000 0.3110000       11.26000      0.3014000     -0.8101000E-01  0.4331000
  1 1 1      -9   14    9 o    4.057000      0.3123000       4.084000 0.4461000       4.029000      0.4373000      0.5447000E-01  0.6247000
  1 1 1      -9   14   10 o    5.355000      0.2619000       5.069000 0.3844000       5.641000      0.3559000     -0.5723000      0.5238000
  1 1 1      -9   14   11 o    11.10000      0.2225000       11.11000 0.3177000       11.10000      0.3116000      0.8211000E-02  0.4450000
  1 1 1      -9   14   12 o    9.023000      0.2225000       9.221000 0.3157000       8.825000      0.3137000      0.3962000      0.4450000
  1 1 1      -9   14   13 o    5.908000      0.2666000       6.050000 0.3701000       5.765000      0.3837000      0.2844000      0.5331000
  1 1 1      -9   14   14 o    13.76000      0.2488000       13.56000 0.3501000       13.95000      0.3537000     -0.3885000      0.4977000
  1 1 1      -9   14   15 o    8.745000      0.2452000       8.557000 0.3478000       8.932000      0.3457000     -0.3747000      0.4904000
  1 1 1      -9   14   16 o    6.978000      0.2651000       7.075000 0.3591000       6.881000      0.3899000      0.1949000      0.5301000
  1 1 1      -9   14   17 o    2.341000      0.5556000       2.455000 0.7798000       2.227000      0.7916000      0.2283000       1.111000
  1 1 1      -9   14   18 o    4.592000      0.3870000       4.225000 0.5830000       4.958000      0.5091000     -0.7328000      0.7740000
  1 1 1      -9   14   19 o    1.700000      0.5167000       1.425000 0.6532000       1.975000      0.8007000     -0.5501000       1.033000
  1 1 1      -9   14   20 o    8.897000      0.3449000       8.695000 0.4515000       9.099000      0.5215000     -0.4036000      0.6898000
  1 1 1      -9   14   21 o    6.650000      0.3402000       7.081000 0.4896000       6.219000      0.4726000      0.8618000      0.6805000
  1 1 1      -9   14   22 o    4.464000      0.4554000       4.788000 0.6042000       4.141000      0.6815000      0.6476000      0.9107000
  1 1 1      -9   14   23 o    3.176000      0.7660000       2.419000 1.100000       3.932000       1.066000      -1.513000       1.532000
  1 1 1      -9   14   24 f    3.746000      0.8455000       3.509000 1.314000       3.983000       1.064000     -0.4737000       1.691000
  1 1 1      -9   14   25 o    2.010000      0.5983000       2.116000 0.8588000       1.904000      0.8333000      0.2121000       1.197000
  1 1 1      -9   14   26 o    3.035000      0.5670000       1.786000 0.8058000       4.283000      0.7980000      -2.497000       1.134000
  1 1 1      -9   14   27 o    5.040000      0.4860000       4.938000 0.6750000       5.143000      0.6995000     -0.2054000      0.9721000
  1 1 1      -9   14   28 o    2.513000      0.6377000       2.270000 0.8848000       2.755000      0.9184000     -0.4849000       1.275000
  1 1 1      -9   14   29 o    2.466000      0.6097000       2.739000 0.8187000       2.192000      0.9037000      0.5469000       1.219000
  1 1 1      -9   14   30 o    2.426000      0.6306000       2.674000 0.8906000       2.178000      0.8931000      0.4965000       1.261000
  1 1 1      -9   14   31 o    2.097000      0.5734000       2.727000 0.9077000       1.468000      0.7010000       1.259000       1.147000
  1 1 1      -9   15    1 o    3.198000      0.3816000       3.862000 0.4870000       2.534000      0.5875000       1.328000      0.7631000
  1 1 1      -9   15    2 o    1.771000      0.4410000       2.101000 0.6583000       1.442000      0.5870000      0.6589000      0.8820000
  1 1 1      -9   15    3 o    2.787000      0.4052000       2.829000 0.5957000       2.744000      0.5496000      0.8550000E-01  0.8105000
  1 1 1      -9   15    4 o    3.049000      0.3868000       3.731000 0.4585000       2.367000      0.6230000       1.364000      0.7735000
  1 1 1      -9   15    5 o    3.348000      0.3628000       3.365000 0.5468000       3.331000      0.4771000      0.3419000E-01  0.7257000
  1 1 1      -9   15    6 o    1.870000      0.4638000       2.068000 0.6647000       1.673000      0.6471000      0.3957000      0.9276000
  1 1 1      -9   15    7 f    5.840000      0.2328000       5.818000 0.3393000       5.862000      0.3189000     -0.4431000E-01  0.4656000
  1 1 1      -9   15    8 o    4.421000      0.2998000       3.853000 0.4793000       4.989000      0.3603000      -1.135000      0.5996000
  1 1 1      -9   15    9 o    8.435000      0.2179000       8.621000 0.3117000       8.248000      0.3046000      0.3726000      0.4358000
  1 1 1      -9   15   10 o    10.79000      0.2222000       11.07000 0.3176000       10.51000      0.3109000      0.5615000      0.4444000
  1 1 1      -9   15   11 o    5.211000      0.2855000       5.207000 0.4158000       5.216000      0.3913000     -0.9868000E-02  0.5709000
  1 1 1      -9   15   12 o    2.100000      0.5091000       1.919000 0.7111000       2.281000      0.7286000     -0.3621000       1.018000
  1 1 1      -9   15   13 o    1.551000      0.4632000       1.866000 0.7194000       1.237000      0.5838000      0.6286000      0.9265000
  1 1 1      -9   15   14 o    7.410000      0.2506000       7.154000 0.3560000       7.667000      0.3528000     -0.5133000      0.5012000
  1 1 1      -9   15   15 o    9.439000      0.2432000       9.581000 0.3469000       9.298000      0.3410000      0.2829000      0.4865000
  1 1 1      -9   15   16 o    6.354000      0.2819000       6.257000 0.3937000       6.451000      0.4035000     -0.1947000      0.5638000
  1 1 1      -9   15   17 o    6.048000      0.2990000       6.228000 0.4096000       5.868000      0.4357000      0.3600000      0.5980000
  1 1 1      -9   15   18 o    8.123000      0.3456000       8.216000 0.4474000       8.029000      0.5270000      0.1864000      0.6913000
  1 1 1      -9   15   19 o    2.367000      0.5936000       2.872000 0.8469000       1.862000      0.8318000       1.010000       1.187000
  1 1 1      -9   15   20 o    10.03000      0.2657000       9.877000 0.3783000       10.18000      0.3731000     -0.3022000      0.5314000
  1 1 1      -9   15   21 o    7.163000      0.3092000       7.049000 0.4399000       7.276000      0.4345000     -0.2272000      0.6183000
  1 1 1      -9   15   22 o    3.093000      0.8076000       3.224000 1.243000       2.963000       1.032000      0.2610000       1.615000
  1 1 1      -9   15   23 o    2.201000      0.5961000       1.775000 0.7826000       2.626000      0.8994000     -0.8505000       1.192000
  1 1 1      -9   15   24 f    4.202000      0.5388000       4.902000 0.6308000       3.503000      0.8736000       1.399000       1.078000
  1 1 1      -9   15   25 o    2.549000      0.6593000       2.693000 0.9354000       2.406000      0.9293000      0.2867000       1.319000
  1 1 1      -9   15   26 o    4.027000      0.5626000       4.596000 0.6686000       3.458000      0.9050000       1.138000       1.125000
  1 1 1      -9   15   27 f    3.360000      0.6197000       3.126000 0.9116000       3.595000      0.8397000     -0.4690000       1.239000
  1 1 1      -9   15   28 o    2.202000      0.6217000       2.478000 0.9086000       1.925000      0.8488000      0.5524000       1.243000
  1 1 1      -9   15   29 o    2.286000      0.6027000       1.681000 0.7555000       2.891000      0.9392000      -1.210000       1.205000
  1 1 1      -9   15   30 o    2.413000      0.6441000       3.261000 1.050000       1.565000      0.7464000       1.696000       1.288000
  1 1 1      -9   16    1 o    10.58000      0.2179000       10.76000 0.3182000       10.40000      0.2978000      0.3603000      0.4358000
  1 1 1      -9   16    2 o    2.181000      0.4972000       2.148000 0.7490000       2.215000      0.6539000     -0.6690000E-01  0.9943000
  1 1 1      -9   16    3 o    8.052000      0.2139000       8.025000 0.3127000       8.079000      0.2919000     -0.5392000E-01  0.4278000
  1 1 1      -9   16    4 o    8.959000      0.2053000       9.038000 0.3020000       8.881000      0.2783000      0.1565000      0.4106000
  1 1 1      -9   16    5 o    7.152000      0.2201000       7.297000 0.3202000       7.008000      0.3021000      0.2889000      0.4402000
  1 1 1      -9   16    6 o    5.096000      0.2721000       4.905000 0.4102000       5.288000      0.3575000     -0.3824000      0.5441000
  1 1 1      -9   16    7 o    12.68000      0.2278000       12.84000 0.3311000       12.52000      0.3131000      0.3187000      0.4557000
  1 1 1      -9   16    8 o    8.324000      0.2139000       8.314000 0.3067000       8.333000      0.2982000     -0.1874000E-01  0.4277000
  1 1 1      -9   16    9 o    9.532000      0.2185000       9.518000 0.3177000       9.547000      0.3001000     -0.2924000E-01  0.4370000
  1 1 1      -9   16   10 o    11.39000      0.2277000       11.41000 0.3274000       11.37000      0.3166000      0.3257000E-01  0.4554000
  1 1 1      -9   16   11 o    6.520000      0.2539000       6.667000 0.3531000       6.373000      0.3648000      0.2935000      0.5077000
  1 1 1      -9   16   12 o    7.365000      0.2484000       7.268000 0.3521000       7.462000      0.3506000     -0.1943000      0.4968000
  1 1 1      -9   16   13 o    6.698000      0.2609000       6.286000 0.3749000       7.111000      0.3629000     -0.8252000      0.5218000
  1 1 1      -9   16   14 o    3.845000      0.4221000       4.147000 0.5340000       3.542000      0.6539000      0.6050000      0.8442000
  1 1 1      -9   16   15 o    6.367000      0.2839000       6.287000 0.4013000       6.447000      0.4017000     -0.1597000      0.5678000
  1 1 1      -9   16   16 o    4.245000      0.4890000       4.428000 0.6053000       4.062000      0.7681000      0.3653000      0.9779000
  1 1 1      -9   16   17 o    6.937000      0.3597000       6.884000 0.4533000       6.989000      0.5587000     -0.1048000      0.7194000
  1 1 1      -9   16   18 o    8.029000      0.2711000       7.802000 0.3749000       8.256000      0.3917000     -0.4547000      0.5422000
  1 1 1      -9   16   19 o    3.012000      0.5438000       2.262000 0.8244000       3.763000      0.7094000      -1.501000       1.088000
  1 1 1      -9   16   20 o    2.907000      0.7829000       3.549000 1.252000       2.265000      0.9398000       1.285000       1.566000
  1 1 1      -9   16   21 o    2.240000      0.6236000       2.136000 0.7952000       2.345000      0.9607000     -0.2093000       1.247000
  1 1 1      -9   16   22 o    2.193000      0.5576000       2.807000 0.8447000       1.579000      0.7281000       1.227000       1.115000
  1 1 1      -9   16   23 o    3.098000      0.6287000       2.730000 0.8995000       3.466000      0.8786000     -0.7363000       1.257000
  1 1 1      -9   16   24 o    5.001000      0.4652000       4.800000 0.6670000       5.202000      0.6487000     -0.4022000      0.9304000
  1 1 1      -9   16   25 o    1.984000      0.8406000       1.984000 0.8406000                  ?              ?              ?              ?
  1 1 1      -9   16   26 o    2.429000      0.6377000       2.235000 0.8693000       2.623000      0.9333000     -0.3881000       1.275000
  1 1 1      -9   16   27 o    3.985000      0.5614000       3.644000 0.7756000       4.326000      0.8117000     -0.6813000       1.123000
  1 1 1      -9   16   28 o    3.121000      0.6201000       2.419000 0.9033000       3.823000      0.8497000      -1.404000       1.240000
  1 1 1      -9   16   29 o    2.031000      0.5965000       2.359000 0.8938000       1.704000      0.7900000      0.6548000       1.193000
  1 1 1      -9   17    1 o    11.19000      0.2259000       10.86000 0.3341000       11.53000      0.3041000     -0.6755000      0.4518000
  1 1 1      -9   17    2 o    10.47000      0.2243000       10.59000 0.3273000       10.36000      0.3066000      0.2263000      0.4485000
  1 1 1      -9   17    3 o    8.213000      0.2339000       8.266000 0.3492000       8.159000      0.3112000      0.1072000      0.4678000
  1 1 1      -9   17    4 o    2.293000      0.4634000       2.959000 0.6628000       1.628000      0.6479000       1.331000      0.9269000
  1 1 1      -9   17    5 o    5.918000      0.2506000       5.922000 0.3618000       5.914000      0.3469000      0.7756000E-02  0.5013000
  1 1 1      -9   17    6 o    2.623000      0.4676000       2.154000 0.7337000       3.093000      0.5797000     -0.9383000      0.9351000
  1 1 1      -9   17    7 o    11.10000      0.2253000       11.54000 0.3301000       10.66000      0.3066000      0.8783000      0.4505000
  1 1 1      -9   17    8 o    2.000000      0.4999000       1.707000 0.7097000       2.292000      0.7043000     -0.5851000      0.9998000
  1 1 1      -9   17    9 o    8.056000      0.2345000       7.924000 0.3446000       8.187000      0.3182000     -0.2633000      0.4690000
  1 1 1      -9   17   10 f    3.012000      0.4720000       2.900000 0.6846000       3.125000      0.6499000     -0.2253000      0.9440000
  1 1 1      -9   17   11 o    9.762000      0.2352000       9.743000 0.3398000       9.782000      0.3253000     -0.3878000E-01  0.4703000
  1 1 1      -9   17   12 o    9.867000      0.2331000       9.705000 0.3353000       10.03000      0.3239000     -0.3250000      0.4662000
  1 1 1      -9   17   13 o    9.142000      0.2409000       9.020000 0.3395000       9.263000      0.3420000     -0.2434000      0.4819000
  1 1 1      -9   17   14 o    8.016000      0.3261000       8.337000 0.4209000       7.694000      0.4981000      0.6432000      0.6521000
  1 1 1      -9   17   15 o    4.528000      0.4734000       4.722000 0.5706000       4.335000      0.7556000      0.3867000      0.9468000
  1 1 1      -9   17   16 o    2.711000      0.5599000       2.412000 0.7843000       3.009000      0.7994000     -0.5972000       1.120000
  1 1 1      -9   17   17 o    3.186000      0.5117000       2.449000 0.7964000       3.924000      0.6428000      -1.475000       1.023000
  1 1 1      -9   17   18 o    4.083000      0.7592000       4.390000 1.157000       3.776000      0.9834000      0.6140000       1.518000
  1 1 1      -9   17   19 o    5.397000      0.6683000       4.949000 1.154000       5.845000      0.6744000     -0.8964000       1.337000
  1 1 1      -9   17   20 o    4.212000      0.4836000       4.016000 0.7240000       4.408000      0.6413000     -0.3915000      0.9672000
  1 1 1      -9   17   21 o    7.117000      0.3342000       7.188000 0.4666000       7.046000      0.4784000      0.1412000      0.6683000
  1 1 1      -9   17   22 o    2.840000      0.5791000       3.717000 0.7913000       1.963000      0.8456000       1.753000       1.158000
  1 1 1      -9   17   23 o    4.337000      0.5163000       4.230000 0.7331000       4.444000      0.7273000     -0.2144000       1.033000
  1 1 1      -9   17   24 o    3.534000      0.5811000       2.775000 0.8912000       4.294000      0.7461000      -1.519000       1.162000
  1 1 1      -9   17   25 o    2.459000      0.9160000       2.459000 0.9160000                  ?              ?              ?              ?
  1 1 1      -9   17   26 o    3.919000      0.6054000       3.754000 0.8630000       4.085000      0.8492000     -0.3305000       1.211000
  1 1 1      -9   17   27 o    2.916000      0.9607000                  ?       ?   2.916000      0.9607000                  ?              ?
  1 1 1      -9   17   28 o    3.307000      0.6174000       2.543000 0.9253000       4.071000      0.8178000      -1.529000       1.235000
  1 1 1      -9   18    1 o    2.722000      0.5093000       2.464000 0.8091000       2.980000      0.6188000     -0.5162000       1.019000
  1 1 1      -9   18    2 o    7.689000      0.2577000       7.642000 0.3933000       7.736000      0.3332000     -0.9364000E-01  0.5155000
  1 1 1      -9   18    3 o    5.542000      0.3064000       5.936000 0.4458000       5.147000      0.4206000      0.7897000      0.6129000
  1 1 1      -9   18    4 o    4.346000      0.3644000       4.635000 0.5531000       4.056000      0.4747000      0.5794000      0.7289000
  1 1 1      -9   18    5 o    6.314000      0.2578000       6.635000 0.3819000       5.993000      0.3465000      0.6420000      0.5156000
  1 1 1      -9   18    6 o    3.880000      0.3673000       3.761000 0.5645000       3.998000      0.4702000     -0.2371000      0.7346000
  1 1 1      -9   18    7 o    9.808000      0.2306000       9.985000 0.3362000       9.631000      0.3158000      0.3542000      0.4613000
  1 1 1      -9   18    8 o    2.344000      0.5292000       2.751000 0.7563000       1.938000      0.7403000      0.8137000       1.058000
  1 1 1      -9   18    9 o    9.105000      0.2411000       8.889000 0.3503000       9.322000      0.3315000     -0.4335000      0.4823000
  1 1 1      -9   18   10 o    8.109000      0.2436000       8.054000 0.3531000       8.165000      0.3358000     -0.1108000      0.4873000
  1 1 1      -9   18   11 o    5.179000      0.2965000       5.090000 0.4485000       5.268000      0.3878000     -0.1783000      0.5929000
  1 1 1      -9   18   12 o    5.239000      0.3912000       4.769000 0.5514000       5.708000      0.5552000     -0.9388000      0.7825000
  1 1 1      -9   18   13 o    2.594000      0.5567000       2.742000 0.8330000       2.446000      0.7387000      0.2963000       1.113000
  1 1 1      -9   18   14 o    3.147000      0.5097000       3.110000 0.7199000       3.183000      0.7218000     -0.7315000E-01   1.019000
  1 1 1      -9   18   15 o    10.66000      0.2564000       10.64000 0.3627000       10.67000      0.3626000     -0.3276000E-01  0.5128000
  1 1 1      -9   18   16 o    2.045000      0.6613000       2.172000 1.000000       1.918000      0.8654000      0.2541000       1.323000
  1 1 1      -9   18   17 o    2.902000      0.7901000       2.929000 1.183000       2.876000       1.048000      0.5309000E-01   1.580000
  1 1 1      -9   18   18 o    2.549000      0.5885000       2.294000 0.8422000       2.804000      0.8221000     -0.5103000       1.177000
  1 1 1      -9   18   19 o    6.345000      0.3337000       6.581000 0.4618000       6.109000      0.4817000      0.4722000      0.6673000
  1 1 1      -9   18   20 o    7.690000      0.3190000       7.301000 0.4608000       8.078000      0.4412000     -0.7769000      0.6380000
  1 1 1      -9   18   21 o    2.987000      0.5781000       2.035000 0.8317000       3.939000      0.8031000      -1.904000       1.156000
  1 1 1      -9   18   22 o    2.670000      0.6467000       2.420000 0.8945000       2.919000      0.9341000     -0.4994000       1.293000
  1 1 1      -9   18   23 o    4.311000      0.5295000       4.977000 0.6519000       3.645000      0.8345000       1.332000       1.059000
  1 1 1      -9   18   24 o    3.018000      0.6249000       2.375000 0.9134000       3.661000      0.8530000      -1.285000       1.250000
  1 1 1      -9   18   25 f    3.399000      0.7098000       3.424000 0.9209000       3.374000       1.080000      0.5015000E-01   1.420000
  1 1 1      -9   18   26 o    3.134000      0.6816000       3.090000 0.9709000       3.179000      0.9568000     -0.8878000E-01   1.363000
  1 1 1      -9   18   27 o    2.556000      0.9299000                  ?       ?   2.556000      0.9299000                  ?              ?
  1 1 1      -9   19    1 o    2.910000      0.5215000       2.257000 0.8639000       3.564000      0.5845000      -1.307000       1.043000
  1 1 1      -9   19    2 o    4.783000      0.3818000       5.079000 0.5804000       4.487000      0.4961000      0.5928000      0.7635000
  1 1 1      -9   19    3 o    2.648000      0.5651000       2.670000 0.8510000       2.626000      0.7436000      0.4409000E-01   1.130000
  1 1 1      -9   19    4 o    4.759000      0.3937000       4.912000 0.6108000       4.605000      0.4970000      0.3067000      0.7874000
  1 1 1      -9   19    5 o    5.069000      0.3608000       4.899000 0.5747000       5.240000      0.4363000     -0.3414000      0.7216000
  1 1 1      -9   19    6 o    2.084000      0.5426000       2.022000 0.7972000       2.147000      0.7364000     -0.1245000       1.085000
  1 1 1      -9   19    7 o    3.543000      0.4457000       3.597000 0.6756000       3.490000      0.5816000      0.1077000      0.8914000
  1 1 1      -9   19    8 o    5.085000      0.3230000       5.241000 0.4708000       4.929000      0.4424000      0.3122000      0.6460000
  1 1 1      -9   19    9 o    2.115000      0.5950000       1.993000 0.8108000       2.237000      0.8712000     -0.2440000       1.190000
  1 1 1      -9   19   10 o    4.165000      0.5188000       4.254000 0.6833000       4.077000      0.7809000      0.1769000       1.038000
  1 1 1      -9   19   11 o    9.627000      0.2499000       9.662000 0.3704000       9.592000      0.3355000      0.6979000E-01  0.4998000
  1 1 1      -9   19   12 o    7.226000      0.2731000       6.969000 0.4036000       7.484000      0.3681000     -0.5149000      0.5462000
  1 1 1      -9   19   13 o    4.578000      0.5738000       5.011000 1.033000       4.146000      0.4994000      0.8649000       1.148000
  1 1 1      -9   19   14 o    8.396000      0.4454000       8.669000 0.7010000       8.123000      0.5496000      0.5461000      0.8908000
  1 1 1      -9   19   15 o    8.442000      0.2665000       8.196000 0.3912000       8.688000      0.3621000     -0.4922000      0.5330000
  1 1 1      -9   19   16 o    6.721000      0.3068000       6.594000 0.4388000       6.849000      0.4290000     -0.2551000      0.6137000
  1 1 1      -9   19   17 o    2.030000      0.5826000       2.128000 0.8376000       1.931000      0.8099000      0.1975000       1.165000
  1 1 1      -9   19   18 f    4.455000      0.4721000       4.502000 0.6497000       4.408000      0.6851000      0.9422000E-01  0.9442000
  1 1 1      -9   19   19 o    5.793000      0.3825000       5.696000 0.5481000       5.889000      0.5337000     -0.1932000      0.7650000
  1 1 1      -9   19   20 o    4.221000      0.5348000       5.440000 0.5533000       3.001000      0.9154000       2.439000       1.070000
  1 1 1      -9   19   21 o    3.173000      0.5908000       3.942000 0.7631000       2.405000      0.9021000       1.537000       1.182000
  1 1 1      -9   19   22 o    2.332000      0.6247000       1.900000 0.8291000       2.763000      0.9346000     -0.8623000       1.249000
  1 1 1      -9   19   23 o    3.610000      0.6027000       3.657000 0.8588000       3.564000      0.8459000      0.9369000E-01   1.205000
  1 1 1      -9   19   24 o    4.170000      0.5678000       4.752000 0.6968000       3.588000      0.8967000       1.164000       1.136000
  1 1 1      -9   19   25 o    4.255000      0.5896000       4.776000 0.6960000       3.733000      0.9519000       1.043000       1.179000
  1 1 1      -9   19   26 o    1.704000      0.5536000       1.619000 0.7546000       1.788000      0.8101000     -0.1689000       1.107000
  1 1 1      -9   20    1 o    5.958000      0.3619000       5.727000 0.5757000       6.188000      0.4388000     -0.4619000      0.7239000
  1 1 1      -9   20    2 o    3.422000      0.5518000       2.782000 0.9318000       4.062000      0.5912000      -1.279000       1.104000
  1 1 1      -9   20    3 o    3.482000      0.5401000       4.086000 0.7508000       2.878000      0.7767000       1.208000       1.080000
  1 1 1      -9   20    4 o    8.807000      0.2760000       8.950000 0.4169000       8.664000      0.3618000      0.2855000      0.5520000
  1 1 1      -9   20    5 o    14.92000      0.2715000       15.15000 0.3999000       14.68000      0.3672000      0.4657000      0.5429000
  1 1 1      -9   20    6 o    8.085000      0.4322000       8.129000 0.6494000       8.040000      0.5705000      0.8867000E-01  0.8644000
  1 1 1      -9   20    7 o    6.506000      0.4247000       6.124000 0.6338000       6.888000      0.5656000     -0.7648000      0.8495000
  1 1 1      -9   20    8 o    2.728000      0.5331000       3.448000 0.7360000       2.008000      0.7714000       1.439000       1.066000
  1 1 1      -9   20    9 f    3.419000      0.5053000       3.264000 0.7710000       3.575000      0.6535000     -0.3114000       1.011000
  1 1 1      -9   20   10 o    8.067000      0.2778000       8.277000 0.4107000       7.857000      0.3741000      0.4204000      0.5555000
  1 1 1      -9   20   11 o    2.974000      0.7385000       2.880000 1.122000       3.068000      0.9605000     -0.1872000       1.477000
  1 1 1      -9   20   12 o    3.616000      0.7463000       3.422000 1.164000       3.810000      0.9348000     -0.3880000       1.493000
  1 1 1      -9   20   13 o    7.763000      0.2894000       7.673000 0.4288000       7.852000      0.3889000     -0.1790000      0.5788000
  1 1 1      -9   20   14 o    5.486000      0.3597000       5.087000 0.5494000       5.884000      0.4644000     -0.7965000      0.7194000
  1 1 1      -9   20   15 o    7.460000      0.3016000       7.213000 0.4387000       7.708000      0.4140000     -0.4953000      0.6032000
  1 1 1      -9   20   16 o    5.278000      0.3752000       5.288000 0.5383000       5.268000      0.5227000      0.2027000E-01  0.7503000
  1 1 1      -9   20   17 o    1.705000      0.5341000       1.500000 0.6983000       1.910000      0.8084000     -0.4097000       1.068000
  1 1 1      -9   20   18 o    4.980000      0.4601000       5.834000 0.5508000       4.125000      0.7372000       1.709000      0.9202000
  1 1 1      -9   20   19 o    2.223000      0.6269000       2.365000 0.9058000       2.081000      0.8668000      0.2842000       1.254000
  1 1 1      -9   20   20 o    4.641000      0.5157000       3.923000 0.8493000       5.359000      0.5853000      -1.436000       1.031000
  1 1 1      -9   20   21 o    7.717000      0.3398000       8.117000 0.4867000       7.317000      0.4744000      0.7997000      0.6797000
  1 1 1      -9   20   22 o    2.585000      0.6567000       2.768000 0.9518000       2.401000      0.9051000      0.3667000       1.313000
  1 1 1      -9   20   23 o    2.617000      0.6634000       2.923000 0.9550000       2.312000      0.9211000      0.6115000       1.327000
  1 1 1      -9   20   24 o    2.344000      0.6451000       1.931000 0.8544000       2.757000      0.9667000     -0.8256000       1.290000
  1 1 1      -9   20   25 o    3.134000      0.6808000       3.181000 0.9376000       3.087000      0.9873000      0.9422000E-01   1.362000
  1 1 1      -9   21    1 f    7.699000      0.3297000       7.811000 0.5116000       7.587000      0.4159000      0.2239000      0.6593000
  1 1 1      -9   21    2 o    3.004000      0.7517000       3.206000 0.8343000       2.802000       1.251000      0.4037000       1.503000
  1 1 1      -9   21    3 o    5.415000      0.8370000       4.355000 1.336000       6.474000       1.009000      -2.120000       1.674000
  1 1 1      -9   21    4 o    4.799000      0.6960000       4.238000 1.085000       5.360000      0.8721000      -1.121000       1.392000
  1 1 1      -9   21    5 o    6.222000      0.3349000       6.155000 0.5160000       6.288000      0.4271000     -0.1335000      0.6699000
  1 1 1      -9   21    6 o    5.059000      0.3946000       5.365000 0.5829000       4.754000      0.5320000      0.6107000      0.7891000
  1 1 1      -9   21    7 o    5.310000      0.3846000       5.351000 0.5917000       5.270000      0.4916000      0.8108000E-01  0.7692000
  1 1 1      -9   21    8 o    9.421000      0.3725000       9.922000 0.5785000       8.919000      0.4695000       1.003000      0.7450000
  1 1 1      -9   21    9 f    4.609000      0.6219000       4.609000 1.025000       4.609000      0.7042000      0.7257000E-03   1.244000
  1 1 1      -9   21   10 o    4.331000      0.4367000       4.260000 0.6741000       4.402000      0.5554000     -0.1425000      0.8734000
  1 1 1      -9   21   11 o    5.014000      0.3913000       5.660000 0.5207000       4.368000      0.5844000       1.292000      0.7827000
  1 1 1      -9   21   12 o    8.627000      0.2840000       8.759000 0.4223000       8.495000      0.3800000      0.2643000      0.5680000
  1 1 1      -9   21   13 o    1.703000      0.5319000       1.879000 0.7983000       1.527000      0.7032000      0.3517000       1.064000
  1 1 1      -9   21   14 o    5.997000      0.3679000       5.791000 0.5602000       6.202000      0.4770000     -0.4118000      0.7357000
  1 1 1      -9   21   15 o    2.545000      0.5912000       2.000000 0.8271000       3.089000      0.8450000      -1.089000       1.182000
  1 1 1      -9   21   16 o    1.553000      0.5113000       1.569000 0.7305000       1.537000      0.7154000      0.3205000E-01   1.023000
  1 1 1      -9   21   17 o    2.135000      0.5696000       1.472000 0.7069000       2.798000      0.8935000      -1.325000       1.139000
  1 1 1      -9   21   18 o    1.712000      0.5427000       1.903000 0.8200000       1.520000      0.7111000      0.3833000       1.085000
  1 1 1      -9   21   19 o    5.713000      0.4265000       6.713000 0.5258000       4.713000      0.6718000       2.001000      0.8531000
  1 1 1      -9   21   20 o    7.174000      0.3663000       7.216000 0.5294000       7.132000      0.5064000      0.8485000E-01  0.7326000
  1 1 1      -9   21   21 o    4.145000      0.5583000       5.315000 0.6643000       2.976000      0.8976000       2.340000       1.117000
  1 1 1      -9   21   22 o    2.938000      0.6685000       3.162000 0.9495000       2.714000      0.9413000      0.4474000       1.337000
  1 1 1      -9   21   23 o    3.333000      0.6808000       3.439000 0.9169000       3.226000       1.007000      0.2133000       1.362000
  1 1 1      -9   21   24 o    3.171000      0.6593000       3.735000 0.8777000       2.607000      0.9841000       1.128000       1.319000
  1 1 1      -9   22    1 o    3.167000      0.6210000       3.325000 0.8767000       3.009000      0.8797000      0.3153000       1.242000
  1 1 1      -9   22    2 o    1.458000      0.4941000       1.512000 0.7270000       1.404000      0.6692000      0.1084000      0.9882000
  1 1 1      -9   22    3 o    3.412000      0.6236000       4.027000 0.8717000       2.796000      0.8919000       1.231000       1.247000
  1 1 1      -9   22    4 o    2.839000      0.6239000       3.060000 0.9190000       2.618000      0.8440000      0.4428000       1.248000
  1 1 1      -9   22    5 o    8.178000      0.3916000       8.085000 0.6125000       8.271000      0.4881000     -0.1863000      0.7832000
  1 1 1      -9   22    6 o    3.736000      0.6416000       3.078000 1.076000       4.394000      0.6986000      -1.316000       1.283000
  1 1 1      -9   22    7 o    2.563000      0.6146000       2.874000 0.9300000       2.251000      0.8039000      0.6237000       1.229000
  1 1 1      -9   22    8 o    4.789000      0.4368000       5.110000 0.6618000       4.468000      0.5703000      0.6419000      0.8736000
  1 1 1      -9   22    9 o    2.332000      0.6313000       2.396000 0.9378000       2.268000      0.8454000      0.1282000       1.263000
  1 1 1      -9   22   10 o    2.840000      0.5997000       3.315000 0.8643000       2.366000      0.8316000      0.9486000       1.199000
  1 1 1      -9   22   11 o    2.802000      0.6028000       2.651000 0.8932000       2.953000      0.8096000     -0.3022000       1.206000
  1 1 1      -9   22   12 f    2.563000      0.5628000       1.773000 0.7825000       3.354000      0.8091000      -1.581000       1.126000
  1 1 1      -9   22   13 o    5.990000      0.3739000       5.844000 0.5730000       6.135000      0.4806000     -0.2915000      0.7479000
  1 1 1      -9   22   14 o    3.411000      0.5827000       3.254000 0.8782000       3.567000      0.7661000     -0.3128000       1.165000
  1 1 1      -9   22   15 o    2.391000      0.6406000       2.355000 0.9314000       2.426000      0.8796000     -0.7101000E-01   1.281000
  1 1 1      -9   22   16 o    6.283000      0.3738000       6.177000 0.5572000       6.389000      0.4985000     -0.2118000      0.7476000
  1 1 1      -9   22   17 o    2.140000      0.6000000       2.529000 0.9097000       1.751000      0.7826000      0.7780000       1.200000
  1 1 1      -9   22   18 f    2.622000      0.6670000       2.769000 0.9649000       2.475000      0.9211000      0.2934000       1.334000
  1 1 1      -9   22   19 o    3.052000      0.6347000       2.356000 0.9420000       3.748000      0.8507000      -1.392000       1.269000
  1 1 1      -9   22   20 o    2.851000      0.6534000       2.460000 0.9492000       3.242000      0.8982000     -0.7824000       1.307000
  1 1 1      -9   22   21 o    2.801000      0.6854000       2.922000 0.9909000       2.681000      0.9473000      0.2405000       1.371000
  1 1 1      -9   22   22 o    4.508000      0.5826000       4.779000 0.7957000       4.236000      0.8512000      0.5429000       1.165000
  1 1 1      -9   23    1 f    4.456000      0.5613000       4.952000 0.8426000       3.961000      0.7416000      0.9914000       1.123000
  1 1 1      -9   23    2 o    5.589000      0.5016000       5.834000 0.7611000       5.344000      0.6535000      0.4902000       1.003000
  1 1 1      -9   23    3 o    7.616000      0.3684000       7.569000 0.5223000       7.663000      0.5198000     -0.9373000E-01  0.7369000
  1 1 1      -9   23    4 o    4.547000      0.5531000       4.440000 0.8758000       4.655000      0.6757000     -0.2149000       1.106000
  1 1 1      -9   23    5 o    2.746000      0.6729000       3.218000 1.023000       2.273000      0.8745000      0.9448000       1.346000
  1 1 1      -9   23    6 o    4.193000      0.5724000       3.576000 0.9807000       4.809000      0.5905000      -1.233000       1.145000
  1 1 1      -9   23    7 o    2.456000      0.6401000       2.836000 0.9804000       2.076000      0.8231000      0.7601000       1.280000
  1 1 1      -9   23    8 o    2.671000      0.6510000       2.556000 0.9767000       2.787000      0.8610000     -0.2308000       1.302000
  1 1 1      -9   23    9 o    2.381000      0.6436000       2.278000 0.9439000       2.484000      0.8750000     -0.2059000       1.287000
  1 1 1      -9   23   10 o    2.913000      0.6591000       2.910000 0.9871000       2.916000      0.8736000     -0.5948000E-02   1.318000
  1 1 1      -9   23   11 o    1.875000      0.5772000       1.828000 0.8141000       1.923000      0.8183000     -0.9519000E-01   1.154000
  1 1 1      -9   23   12 o    2.648000      0.5928000       1.941000 0.8458000       3.355000      0.8309000      -1.414000       1.186000
  1 1 1      -9   23   13 o    1.986000      0.5972000       2.213000 0.9112000       1.758000      0.7723000      0.4548000       1.194000
  1 1 1      -9   23   14 o    3.101000      0.6203000       3.753000 0.8604000       2.449000      0.8937000       1.304000       1.241000
  1 1 1      -9   23   15 o    5.059000      0.4796000       5.854000 0.6329000       4.265000      0.7207000       1.589000      0.9591000
  1 1 1      -9   23   16 o    3.502000      0.6670000       3.518000 0.9707000       3.486000      0.9151000      0.3162000E-01   1.334000
  1 1 1      -9   23   17 o    2.075000      0.6010000       1.505000 0.7274000       2.644000      0.9569000      -1.139000       1.202000
  1 1 1      -9   23   18 o    2.302000      0.6499000       2.485000 0.9527000       2.119000      0.8842000      0.3659000       1.300000
  1 1 1      -9   23   19 o    3.625000      0.6547000       3.558000 0.9836000       3.693000      0.8644000     -0.1352000       1.309000
  1 1 1      -9   23   20 o    2.306000      0.6692000       2.048000 0.9076000       2.564000      0.9836000     -0.5163000       1.338000
  1 1 1      -9   23   21 o    1.997000      0.6231000       2.346000 0.9727000       1.649000      0.7790000      0.6971000       1.246000
  1 1 1      -9   24    1 f    3.905000      0.6294000       3.374000 1.055000       4.435000      0.6862000      -1.061000       1.259000
  1 1 1      -9   24    2 o    2.178000      0.6375000       2.501000 0.9916000       1.856000      0.8016000      0.6446000       1.275000
  1 1 1      -9   24    3 o    2.233000      0.6468000       2.590000 1.015000       1.876000      0.8015000      0.7143000       1.294000
  1 1 1      -9   24    4 o    3.342000      0.6825000       3.747000 1.046000       2.936000      0.8768000      0.8116000       1.365000
  1 1 1      -9   24    5 o    6.084000      0.4943000       5.975000 0.7924000       6.192000      0.5912000     -0.2169000      0.9887000
  1 1 1      -9   24    6 o    2.412000      0.6731000       2.364000 0.9926000       2.460000      0.9094000     -0.9614000E-01   1.346000
  1 1 1      -9   24    7 o    3.839000      0.6250000       3.171000 1.024000       4.507000      0.7164000      -1.336000       1.250000
  1 1 1      -9   24    8 o    7.178000      0.3736000       7.207000 0.5785000       7.148000      0.4730000      0.5836000E-01  0.7472000
  1 1 1      -9   24    9 o    3.596000      0.6692000       3.824000 1.000000       3.368000      0.8891000      0.4562000       1.338000
  1 1 1      -9   24   10 o    3.447000      0.6621000       3.260000 0.9884000       3.635000      0.8813000     -0.3748000       1.324000
  1 1 1      -9   24   11 o    2.701000      0.6832000       3.323000 1.035000       2.079000      0.8920000       1.244000       1.366000
  1 1 1      -9   24   12 o    3.042000      0.6875000       3.155000 1.010000       2.928000      0.9330000      0.2269000       1.375000
  1 1 1      -9   24   13 o    3.668000      0.6208000       4.611000 0.8370000       2.724000      0.9170000       1.887000       1.242000
  1 1 1      -9   24   14 o    5.245000      0.5031000       5.038000 0.7860000       5.452000      0.6281000     -0.4147000       1.006000
  1 1 1      -9   24   15 o    3.975000      0.6328000       4.581000 0.8280000       3.369000      0.9572000       1.212000       1.266000
  1 1 1      -9   24   16 o    2.764000      0.7203000       3.071000 1.067000       2.458000      0.9674000      0.6128000       1.441000
  1 1 1      -9   24   17 f    2.038000      0.6205000       1.710000 0.8154000       2.365000      0.9356000     -0.6549000       1.241000
  1 1 1      -9   24   18 f    3.565000      0.7041000       3.908000 0.9930000       3.222000      0.9984000      0.6859000       1.408000
  1 1 1      -9   24   19 o    3.097000      0.7293000       3.216000 1.036000       2.978000       1.027000      0.2387000       1.459000
  1 1 1      -9   25    1 o    2.622000      0.6917000       3.083000 1.071000       2.161000      0.8753000      0.9222000       1.383000
  1 1 1      -9   25    2 o    3.680000      0.6963000       4.203000 0.9889000       3.157000      0.9804000       1.046000       1.393000
  1 1 1      -9   25    3 o    4.738000      0.5979000       4.789000 0.9336000       4.687000      0.7474000      0.1019000       1.196000
  1 1 1      -9   25    4 o    3.568000      0.6928000       3.504000 1.068000       3.633000      0.8828000     -0.1289000       1.386000
  1 1 1      -9   25    5 o    4.340000      0.6586000       4.671000 0.9848000       4.009000      0.8748000      0.6615000       1.317000
  1 1 1      -9   25    6 o    6.227000      0.4891000       6.014000 0.7507000       6.440000      0.6273000     -0.4254000      0.9783000
  1 1 1      -9   25    7 o    3.154000      0.7265000       2.821000 1.063000       3.486000      0.9909000     -0.6643000       1.453000
  1 1 1      -9   25    8 o    3.345000      0.6938000       3.659000 1.010000       3.030000      0.9519000      0.6290000       1.388000
  1 1 1      -9   25    9 o    2.131000      0.6353000       1.876000 0.8674000       2.387000      0.9285000     -0.5111000       1.271000
  1 1 1      -9   25   10 o    3.022000      0.6475000       4.223000 0.9970000       1.821000      0.8263000       2.402000       1.295000
  1 1 1      -9   25   11 o    2.918000      0.7324000       3.045000 1.074000       2.790000      0.9964000      0.2551000       1.465000
  1 1 1      -9   25   12 o    3.753000      0.6854000       3.374000 1.054000       4.133000      0.8769000     -0.7587000       1.371000
  1 1 1      -9   25   13 f    2.464000      0.6940000       2.357000 0.9988000       2.570000      0.9638000     -0.2131000       1.388000
  1 1 1      -9   25   14 o    3.527000      0.6904000       3.668000 0.9613000       3.386000      0.9912000      0.2825000       1.381000
  1 1 1      -9   25   15 o    2.475000      0.7022000       2.601000 1.022000       2.349000      0.9631000      0.2515000       1.404000
  1 1 1      -9   25   16 o    2.830000      0.7214000       2.772000 1.048000       2.888000      0.9914000     -0.1165000       1.443000
  1 1 1      -9   25   17 f    2.256000      0.6546000       1.957000 0.8896000       2.554000      0.9605000     -0.5976000       1.309000
  1 1 1      -9   26    1 o    6.405000      0.5082000       6.502000 0.7942000       6.308000      0.6342000      0.1942000       1.016000
  1 1 1      -9   26    2 o    3.923000      0.7322000       4.039000 1.104000       3.807000      0.9622000      0.2315000       1.464000
  1 1 1      -9   26    3 o    2.562000      0.7108000       2.748000 1.072000       2.376000      0.9334000      0.3726000       1.422000
  1 1 1      -9   26    4 o    2.652000      0.7403000       2.809000 1.081000       2.496000       1.011000      0.3131000       1.481000
  1 1 1      -9   26    5 f    2.912000      0.7446000       3.315000 1.116000       2.508000      0.9858000      0.8076000       1.489000
  1 1 1      -9   26    6 o    3.220000      0.7312000       2.860000 1.090000       3.581000      0.9752000     -0.7203000       1.462000
  1 1 1      -9   26    7 o    2.961000      0.6957000       2.306000 0.9962000       3.616000      0.9713000      -1.309000       1.391000
  1 1 1      -9   26    8 o    2.503000      0.7018000       2.090000 0.9461000       2.916000       1.037000     -0.8261000       1.404000
  1 1 1      -9   26    9 o    3.302000      0.7136000       2.906000 1.071000       3.698000      0.9434000     -0.7925000       1.427000
  1 1 1      -9   26   10 o    1.996000      0.6327000       1.904000 0.8858000       2.088000      0.9036000     -0.1841000       1.265000
  1 1 1      -9   26   11 o    4.289000      0.6942000       4.312000 1.020000       4.265000      0.9421000      0.4669000E-01   1.388000
  1 1 1      -9   26   12 o    2.380000      0.7082000       2.317000 1.013000       2.444000      0.9900000     -0.1266000       1.416000
  1 1 1      -9   26   13 o    2.453000      0.7000000       2.357000 1.005000       2.548000      0.9752000     -0.1910000       1.400000
  1 1 1      -9   26   14 o    2.294000      0.6723000       2.039000 0.9086000       2.550000      0.9911000     -0.5111000       1.345000
  1 1 1      -9   26   15 o    2.146000      0.9978000       2.146000 0.9978000                  ?              ?              ?              ?
  1 1 1      -9   27    1 o    5.368000      0.6189000       4.851000 0.9891000       5.884000      0.7442000      -1.034000       1.238000
  1 1 1      -9   27    2 o    2.440000      0.7212000       2.781000 1.090000       2.099000      0.9444000      0.6814000       1.442000
  1 1 1      -9   27    3 o    3.275000      0.7402000       4.103000 1.092000       2.447000       1.000000       1.656000       1.480000
  1 1 1      -9   27    4 o    5.351000      0.5875000       4.399000 0.9851000       6.303000      0.6405000      -1.904000       1.175000
  1 1 1      -9   27    5 o    3.458000      0.7374000       3.547000 1.076000       3.370000       1.009000      0.1769000       1.475000
  1 1 1      -9   27    6 f    2.733000      0.7215000       3.489000 1.118000       1.977000      0.9121000       1.512000       1.443000
  1 1 1      -9   27    7 o    2.413000      0.6965000       2.838000 1.073000       1.987000      0.8883000      0.8507000       1.393000
  1 1 1      -9   27    8 o    2.098000      0.6474000       1.736000 0.8356000       2.459000      0.9892000     -0.7232000       1.295000
  1 1 1      -9   27    9 o    2.477000      0.6974000       3.047000 1.085000       1.907000      0.8758000       1.141000       1.395000
  1 1 1      -9   27   10 o    3.324000      0.7257000       2.849000 1.094000       3.800000      0.9539000     -0.9513000       1.451000
  1 1 1      -9   27   11 o    2.233000      0.6635000       2.769000 1.058000       1.698000      0.8012000       1.071000       1.327000
  1 1 1      -9   27   12 o    3.766000       1.188000       3.766000 1.188000                  ?              ?              ?              ?
  1 1 1      -9   28    1 o    3.641000      0.7876000       2.868000 1.136000       4.413000       1.092000      -1.545000       1.575000
  1 1 1      -9   28    2 o    2.677000      0.7604000       2.449000 1.074000       2.905000       1.077000     -0.4563000       1.521000
  1 1 1      -9   28    3 o    3.326000      0.7796000       3.771000 1.145000       2.880000       1.059000      0.8910000       1.559000
  1 1 1      -9   28    4 o    3.513000      0.8141000       3.676000 1.142000       3.350000       1.161000      0.3261000       1.628000
  1 1 1      -9   28    5 o    5.336000      0.6278000       4.793000 0.9937000       5.878000      0.7675000      -1.084000       1.256000
  1 1 1      -9   28    6 o    4.229000      0.7435000       4.581000 1.078000       3.878000       1.025000      0.7023000       1.487000
  1 1 1      -9   28    7 o    2.588000      0.7525000       2.456000 1.051000       2.720000       1.077000     -0.2647000       1.505000
  1 1 1      -8  -36    1 o    2.318000      0.7245000       2.611000 1.120000       2.025000      0.9197000      0.5868000       1.449000
  1 1 1      -8  -36    2 o    2.560000      0.7438000       3.293000 1.210000       1.827000      0.8653000       1.465000       1.488000
  1 1 1      -8  -36    3 o    2.844000      0.8195000       2.801000 1.212000       2.887000       1.103000     -0.8571000E-01   1.639000
  1 1 1      -8  -36    4 o    2.886000      0.8342000       2.709000 1.235000       3.063000       1.121000     -0.3539000       1.668000
  1 1 1      -8  -35    1 o    4.754000      0.7453000       4.506000 1.221000       5.003000      0.8553000     -0.4971000       1.491000
  1 1 1      -8  -35    2 o    3.504000      0.7991000       2.942000 1.226000       4.067000       1.026000      -1.124000       1.598000
  1 1 1      -8  -35    3 o    2.667000      0.7477000       2.537000 1.063000       2.797000       1.052000     -0.2601000       1.495000
  1 1 1      -8  -35    4 o    3.072000      0.7572000       2.581000 1.078000       3.563000       1.064000     -0.9823000       1.514000
  1 1 1      -8  -35    5 o    2.550000      0.7328000       2.351000 1.032000       2.748000       1.040000     -0.3968000       1.466000
  1 1 1      -8  -35    6 f    3.337000      0.7936000       3.725000 1.181000       2.949000       1.060000      0.7758000       1.587000
  1 1 1      -8  -35    7 o    3.361000      0.7973000       3.710000 1.162000       3.012000       1.092000      0.6984000       1.595000
  1 1 1      -8  -35    8 o    4.107000      0.7320000       4.054000 1.084000       4.160000      0.9842000     -0.1063000       1.464000
  1 1 1      -8  -35    9 o    4.208000      0.7366000       3.822000 1.116000       4.595000      0.9621000     -0.7731000       1.473000
  1 1 1      -8  -35   10 o    3.192000       1.369000       3.192000 1.369000                  ?              ?              ?              ?
  1 1 1      -8  -34    1 o    5.473000      0.6530000       4.576000 1.113000       6.370000      0.6830000      -1.794000       1.306000
  1 1 1      -8  -34    2 o    3.514000      0.7787000       3.775000 1.163000       3.254000       1.036000      0.5203000       1.557000
  1 1 1      -8  -34    3 o    2.732000      0.7223000       2.182000 0.9865000       3.282000       1.055000      -1.100000       1.445000
  1 1 1      -8  -34    4 o    3.964000      0.7712000       3.769000 1.181000       4.160000      0.9919000     -0.3906000       1.542000
  1 1 1      -8  -34    5 o    1.963000      0.6465000       1.864000 0.8970000       2.061000      0.9313000     -0.1967000       1.293000
  1 1 1      -8  -34    6 o    2.193000      0.6957000       2.394000 1.050000       1.991000      0.9124000      0.4033000       1.391000
  1 1 1      -8  -34    7 o    2.723000      0.7505000       3.367000 1.178000       2.079000      0.9307000       1.288000       1.501000
  1 1 1      -8  -34    8 f    3.419000      0.7623000       3.938000 1.110000       2.900000       1.045000       1.038000       1.525000
  1 1 1      -8  -34    9 o    3.049000      0.6655000       2.067000 0.9391000       4.031000      0.9432000      -1.964000       1.331000
  1 1 1      -8  -34   10 o    2.117000      0.6499000       2.521000 1.017000       1.712000      0.8094000      0.8088000       1.300000
  1 1 1      -8  -34   11 f    2.612000      0.7307000       2.844000 1.063000       2.381000       1.003000      0.4628000       1.461000
  1 1 1      -8  -34   12 o    2.641000      0.7185000       2.106000 0.9394000       3.175000       1.088000      -1.069000       1.437000
  1 1 1      -8  -34   13 o    2.203000      0.6691000       2.391000 0.9731000       2.015000      0.9186000      0.3762000       1.338000
  1 1 1      -8  -33    1 o    2.282000      0.6906000       2.073000 0.9579000       2.491000      0.9951000     -0.4174000       1.381000
  1 1 1      -8  -33    2 o    2.451000      0.7077000       2.379000 1.026000       2.524000      0.9754000     -0.1443000       1.415000
  1 1 1      -8  -33    3 o    4.608000      0.6474000       4.622000 0.9903000       4.594000      0.8343000      0.2743000E-01   1.295000
  1 1 1      -8  -33    4 o    3.756000      0.7016000       3.721000 1.068000       3.792000      0.9101000     -0.7117000E-01   1.403000
  1 1 1      -8  -33    5 o    3.070000      0.7391000       3.302000 1.116000       2.838000      0.9697000      0.4639000       1.478000
  1 1 1      -8  -33    6 o    2.715000      0.7238000       3.295000 1.136000       2.135000      0.8972000       1.159000       1.448000
  1 1 1      -8  -33    7 o    3.141000      0.7298000       2.718000 1.078000       3.564000      0.9838000     -0.8464000       1.460000
  1 1 1      -8  -33    8 o    2.445000      0.6973000       2.165000 0.9685000       2.724000       1.003000     -0.5586000       1.395000
  1 1 1      -8  -33    9 o    3.193000      0.7212000       4.016000 1.064000       2.369000      0.9739000       1.647000       1.442000
  1 1 1      -8  -33   10 o    2.683000      0.7461000       2.744000 1.073000       2.622000       1.037000      0.1228000       1.492000
  1 1 1      -8  -33   11 o    4.622000      0.6662000       4.553000 0.9609000       4.692000      0.9230000     -0.1392000       1.332000
  1 1 1      -8  -33   12 o    4.171000      0.6708000       3.201000 1.069000       5.140000      0.8104000      -1.938000       1.342000
  1 1 1      -8  -33   13 o    3.928000      0.9839000       3.928000 0.9839000                  ?              ?              ?              ?
  1 1 1      -8  -33   14 o    2.447000      0.7186000       2.343000 0.9892000       2.550000       1.042000     -0.2063000       1.437000
  1 1 1      -8  -33   15 o    3.349000       1.053000                  ?       ?   3.349000       1.053000                  ?              ?
  1 1 1      -8  -33   16 o    2.289000       1.086000       2.289000 1.086000                  ?              ?              ?              ?
  1 1 1      -8  -32    1 o    4.763000      0.5279000       4.968000 0.7542000       4.558000      0.7388000      0.4105000       1.056000
  1 1 1      -8  -32    2 f    4.428000      0.5684000       4.288000 0.8976000       4.568000      0.6977000     -0.2793000       1.137000
  1 1 1      -8  -32    3 o    6.052000      0.4918000       5.009000 0.8586000       7.095000      0.4800000      -2.086000      0.9837000
  1 1 1      -8  -32    4 o    7.625000      0.3904000       7.277000 0.6104000       7.972000      0.4869000     -0.6956000      0.7808000
  1 1 1      -8  -32    5 o    3.123000      0.6789000       2.389000 1.006000       3.857000      0.9121000      -1.468000       1.358000
  1 1 1      -8  -32    6 o    2.835000      0.7075000       2.639000 1.040000       3.032000      0.9592000     -0.3926000       1.415000
  1 1 1      -8  -32    7 o    2.425000      0.6322000       3.248000 1.017000       1.601000      0.7509000       1.647000       1.264000
  1 1 1      -8  -32    8 o    5.427000      0.5415000       4.375000 0.9424000       6.478000      0.5335000      -2.103000       1.083000
  1 1 1      -8  -32    9 o    5.500000      0.5574000       5.267000 0.8802000       5.732000      0.6841000     -0.4647000       1.115000
  1 1 1      -8  -32   10 o    5.669000      0.5208000       6.239000 0.7319000       5.099000      0.7412000       1.140000       1.042000
  1 1 1      -8  -32   11 o    4.675000      0.6204000       5.567000 0.7672000       3.783000      0.9751000       1.784000       1.241000
  1 1 1      -8  -32   12 o    4.393000      0.6415000       4.640000 0.8771000       4.145000      0.9363000      0.4957000       1.283000
  1 1 1      -8  -32   13 o    3.456000      0.7466000       2.440000 1.008000       4.471000       1.102000      -2.031000       1.493000
  1 1 1      -8  -32   14 o    3.728000      0.7008000       4.550000 0.9344000       2.905000       1.045000       1.645000       1.402000
  1 1 1      -8  -32   15 o    3.572000      0.9890000                  ?       ?   3.572000      0.9890000                  ?              ?
  1 1 1      -8  -32   16 o    2.735000      0.7098000       2.672000 1.027000       2.798000      0.9803000     -0.1258000       1.420000
  1 1 1      -8  -32   17 o    4.191000      0.6310000       3.685000 1.015000       4.696000      0.7495000      -1.011000       1.262000
  1 1 1      -8  -32   18 o    2.825000      0.8306000       3.334000 1.363000       2.317000      0.9494000       1.017000       1.661000
  1 1 1      -8  -31    1 o    4.106000      0.5712000       4.595000 0.8169000       3.617000      0.7987000      0.9771000       1.142000
  1 1 1      -8  -31    2 o    4.409000      0.5482000       4.021000 0.9150000       4.796000      0.6042000     -0.7744000       1.096000
  1 1 1      -8  -31    3 o    5.155000      0.4945000       4.388000 0.8518000       5.922000      0.5026000      -1.534000      0.9890000
  1 1 1      -8  -31    4 o    3.545000      0.5898000       3.241000 0.9593000       3.850000      0.6864000     -0.6092000       1.180000
  1 1 1      -8  -31    5 o    2.755000      0.5761000       2.124000 0.8909000       3.387000      0.7306000      -1.263000       1.152000
  1 1 1      -8  -31    6 o    1.629000      0.5224000       1.441000 0.7038000       1.818000      0.7722000     -0.3769000       1.045000
  1 1 1      -8  -31    7 f    2.205000      0.6318000       2.286000 0.9396000       2.124000      0.8448000      0.1615000       1.264000
  1 1 1      -8  -31    8 o    2.762000      0.6558000       2.512000 0.9749000       3.013000      0.8775000     -0.5004000       1.312000
  1 1 1      -8  -31    9 o    3.033000      0.6328000       2.210000 0.9513000       3.857000      0.8347000      -1.648000       1.266000
  1 1 1      -8  -31   10 o    2.926000      0.6420000       2.098000 0.9269000       3.753000      0.8886000      -1.655000       1.284000
  1 1 1      -8  -31   11 o    5.838000      0.4335000       5.676000 0.6441000       6.000000      0.5803000     -0.3245000      0.8669000
  1 1 1      -8  -31   12 o    11.73000      0.4185000       11.52000 0.5487000       11.95000      0.6320000     -0.4348000      0.8369000
  1 1 1      -8  -31   13 o    5.009000      0.5539000       5.442000 0.7257000       4.577000      0.8370000      0.8647000       1.108000
  1 1 1      -8  -31   14 o    2.176000      0.6532000       2.513000 1.003000       1.840000      0.8373000      0.6723000       1.306000
  1 1 1      -8  -31   15 o    3.776000      0.6652000       4.614000 0.8791000       2.938000      0.9985000       1.677000       1.330000
  1 1 1      -8  -31   16 o    4.495000      0.5989000       4.872000 0.7697000       4.119000      0.9178000      0.7533000       1.198000
  1 1 1      -8  -31   17 o    3.112000      0.7105000       2.814000 1.036000       3.411000      0.9730000     -0.5966000       1.421000
  1 1 1      -8  -31   18 o    3.249000      0.6124000       2.302000 0.9134000       4.196000      0.8159000      -1.895000       1.225000
  1 1 1      -8  -31   19 o    2.559000      0.6599000       3.223000 1.000000       1.894000      0.8610000       1.329000       1.320000
  1 1 1      -8  -31   20 o    3.453000      0.8505000       3.919000 1.329000       2.988000       1.061000      0.9307000       1.701000
  1 1 1      -8  -30    1 o    1.593000      0.5195000       1.650000 0.7594000       1.537000      0.7091000      0.1130000       1.039000
  1 1 1      -8  -30    2 o    2.214000      0.5714000       2.880000 0.9014000       1.548000      0.7025000       1.332000       1.143000
  1 1 1      -8  -30    3 o    2.064000      0.6046000       2.209000 0.9240000       1.918000      0.7802000      0.2913000       1.209000
  1 1 1      -8  -30    4 o    3.655000      0.5905000       3.493000 0.9522000       3.817000      0.6987000     -0.3239000       1.181000
  1 1 1      -8  -30    5 o    2.462000      0.6172000       2.490000 0.9364000       2.434000      0.8045000      0.5608000E-01   1.234000
  1 1 1      -8  -30    6 f    3.502000      0.5930000       3.635000 0.9476000       3.369000      0.7131000      0.2664000       1.186000
  1 1 1      -8  -30    7 o    4.569000      0.4931000       5.379000 0.6746000       3.759000      0.7192000       1.621000      0.9861000
  1 1 1      -8  -30    8 o    3.933000      0.5312000       4.421000 0.7691000       3.445000      0.7330000      0.9755000       1.062000
  1 1 1      -8  -30    9 o    3.164000      0.6300000       3.308000 0.9371000       3.021000      0.8421000      0.2867000       1.260000
  1 1 1      -8  -30   10 o    3.046000      0.6446000       3.076000 0.9296000       3.016000      0.8932000      0.5993000E-01   1.289000
  1 1 1      -8  -30   11 o    3.144000      0.6294000       2.856000 0.9355000       3.432000      0.8422000     -0.5762000       1.259000
  1 1 1      -8  -30   12 o    1.831000      0.5743000       1.498000 0.7251000       2.164000      0.8909000     -0.6663000       1.149000
  1 1 1      -8  -30   13 o    2.285000      0.6321000       2.004000 0.8727000       2.566000      0.9147000     -0.5614000       1.264000
  1 1 1      -8  -30   14 o    1.999000      0.5967000       1.655000 0.7835000       2.343000      0.9002000     -0.6880000       1.193000
  1 1 1      -8  -30   15 o    3.725000      0.6738000       3.361000 1.007000       4.089000      0.8950000     -0.7283000       1.348000
  1 1 1      -8  -30   16 o    2.182000      0.6335000       2.004000 0.8836000       2.359000      0.9080000     -0.3550000       1.267000
  1 1 1      -8  -30   17 o    2.284000      0.6326000       2.742000 0.9642000       1.825000      0.8191000      0.9169000       1.265000
  1 1 1      -8  -30   18 o    2.227000      0.6483000       2.509000 0.9623000       1.946000      0.8691000      0.5632000       1.297000
  1 1 1      -8  -30   19 o    2.297000      0.6210000       1.834000 0.8114000       2.759000      0.9404000     -0.9246000       1.242000
  1 1 1      -8  -30   20 o    2.535000      0.6478000       3.219000 0.9932000       1.852000      0.8321000       1.367000       1.296000
  1 1 1      -8  -30   21 o    3.591000      0.6626000       3.670000 0.8954000       3.513000      0.9770000      0.1574000       1.325000
  1 1 1      -8  -29    1 o    7.019000      0.3256000       6.517000 0.5409000       7.522000      0.3625000      -1.005000      0.6511000
  1 1 1      -8  -29    2 o    4.590000      0.4429000       4.577000 0.7215000       4.603000      0.5139000     -0.2591000E-01  0.8858000
  1 1 1      -8  -29    3 o    4.024000      0.4703000       3.596000 0.7785000       4.452000      0.5278000     -0.8556000      0.9406000
  1 1 1      -8  -29    4 o    2.986000      0.5878000       3.092000 0.8916000       2.880000      0.7662000      0.2122000       1.176000
  1 1 1      -8  -29    5 o    3.250000      0.5518000       3.693000 0.8336000       2.806000      0.7233000      0.8864000       1.104000
  1 1 1      -8  -29    6 o    6.301000      0.5257000       6.811000 0.7237000       5.791000      0.7626000       1.019000       1.051000
  1 1 1      -8  -29    7 o    8.820000      0.3932000       8.900000 0.5557000       8.740000      0.5563000      0.1599000      0.7863000
  1 1 1      -8  -29    8 o    5.883000      0.4952000       6.201000 0.6434000       5.566000      0.7530000      0.6358000      0.9905000
  1 1 1      -8  -29    9 f    2.499000      0.6839000       2.516000 0.9431000       2.482000      0.9908000      0.3407000E-01   1.368000
  1 1 1      -8  -29   10 o    6.790000      0.4114000       6.552000 0.5624000       7.028000      0.6005000     -0.4768000      0.8227000
  1 1 1      -8  -29   11 o    7.921000      0.3847000       7.637000 0.5190000       8.204000      0.5681000     -0.5666000      0.7695000
  1 1 1      -8  -29   12 o    2.945000      0.6429000       3.433000 0.9338000       2.456000      0.8839000      0.9771000       1.286000
  1 1 1      -8  -29   13 o    4.074000      0.5196000       3.838000 0.7849000       4.310000      0.6813000     -0.4718000       1.039000
  1 1 1      -8  -29   14 f    3.333000      0.9004000       3.333000 0.9004000                  ?              ?              ?              ?
  1 1 1      -8  -29   15 o    2.921000      0.6157000       2.895000 0.8787000       2.948000      0.8627000     -0.5330000E-01   1.231000
  1 1 1      -8  -29   16 f    1.643000      0.7571000                  ?       ?   1.643000      0.7571000                  ?              ?
  1 1 1      -8  -29   17 o    4.955000      0.4881000       5.930000 0.5678000       3.979000      0.7939000       1.951000      0.9761000
  1 1 1      -8  -29   18 o    6.420000      0.3754000       7.048000 0.4890000       5.792000      0.5697000       1.256000      0.7508000
  1 1 1      -8  -29   19 o    3.810000      0.6339000       3.362000 0.9373000       4.258000      0.8538000     -0.8958000       1.268000
  1 1 1      -8  -29   20 o    3.319000      0.6295000       3.674000 0.8621000       2.964000      0.9175000      0.7100000       1.259000
  1 1 1      -8  -29   21 o    2.500000      0.6451000       2.024000 0.8701000       2.975000      0.9527000     -0.9508000       1.290000
  1 1 1      -8  -29   22 o    3.356000      0.6147000       2.275000 0.9065000       4.436000      0.8304000      -2.161000       1.229000
  1 1 1      -8  -29   23 o    2.276000      0.6627000       2.130000 0.9052000       2.423000      0.9681000     -0.2925000       1.325000
  1 1 1      -8  -28    1 o    4.118000      0.5137000       4.376000 0.7955000       3.860000      0.6501000      0.5162000       1.027000
  1 1 1      -8  -28    2 o    3.637000      0.5235000       4.770000 0.7228000       2.503000      0.7574000       2.267000       1.047000
  1 1 1      -8  -28    3 f    6.042000      0.3809000       6.394000 0.5771000       5.691000      0.4974000      0.7037000      0.7619000
  1 1 1      -8  -28    4 o    7.082000      0.3460000       7.272000 0.5422000       6.891000      0.4299000      0.3813000      0.6920000
  1 1 1      -8  -28    5 o    5.290000      0.5014000       5.362000 0.8245000       5.218000      0.5710000      0.1442000       1.003000
  1 1 1      -8  -28    6 o    9.326000      0.3437000       9.019000 0.5459000       9.633000      0.4177000     -0.6135000      0.6874000
  1 1 1      -8  -28    7 o    5.448000      0.3395000       5.810000 0.5086000       5.085000      0.4500000      0.7244000      0.6791000
  1 1 1      -8  -28    8 o    3.287000      0.4813000       3.813000 0.6214000       2.761000      0.7351000       1.052000      0.9626000
  1 1 1      -8  -28    9 o    1.969000      0.5387000       2.216000 0.7961000       1.721000      0.7261000      0.4945000       1.077000
  1 1 1      -8  -28   10 o    2.599000      0.5421000       2.965000 0.7631000       2.233000      0.7701000      0.7322000       1.084000
  1 1 1      -8  -28   11 o    3.174000      0.5278000       2.821000 0.8047000       3.527000      0.6833000     -0.7054000       1.056000
  1 1 1      -8  -28   12 o    5.286000      0.3535000       5.478000 0.4912000       5.094000      0.5084000      0.3842000      0.7070000
  1 1 1      -8  -28   13 o    6.530000      0.3678000       6.507000 0.4237000       6.552000      0.6013000     -0.4491000E-01  0.7356000
  1 1 1      -8  -28   14 o    3.073000      0.9053000       3.073000 0.9053000                  ?              ?              ?              ?
  1 1 1      -8  -28   15 f    2.443000      0.6528000       2.832000 0.9104000       2.055000      0.9358000      0.7772000       1.306000
  1 1 1      -8  -28   16 o    3.976000      0.9763000                  ?       ?   3.976000      0.9763000                  ?              ?
  1 1 1      -8  -28   17 o    4.840000      0.4385000       5.519000 0.5724000       4.162000      0.6643000       1.358000      0.8769000
  1 1 1      -8  -28   18 o    2.176000      0.5859000       1.740000 0.7702000       2.612000      0.8833000     -0.8720000       1.172000
  1 1 1      -8  -28   19 o    3.871000      0.5627000       4.666000 0.6551000       3.077000      0.9151000       1.589000       1.125000
  1 1 1      -8  -28   20 o    4.333000      0.7080000       3.483000 1.277000       5.184000      0.6128000      -1.701000       1.416000
  1 1 1      -8  -28   21 o    2.398000      0.6402000       1.981000 0.8543000       2.814000      0.9537000     -0.8332000       1.280000
  1 1 1      -8  -28   22 o    1.902000      0.5882000       1.992000 0.8497000       1.812000      0.8134000      0.1801000       1.176000
  1 1 1      -8  -28   23 o    2.935000      0.6642000       3.425000 0.9230000       2.446000      0.9553000      0.9791000       1.328000
  1 1 1      -8  -28   24 o    2.030000      0.6274000       2.113000 0.8982000       1.947000      0.8761000      0.1662000       1.255000
  1 1 1      -8  -27    1 o    3.782000      0.4692000       4.064000 0.7329000       3.501000      0.5859000      0.5628000      0.9383000
  1 1 1      -8  -27    2 o    3.543000      0.4396000       3.395000 0.7071000       3.690000      0.5224000     -0.2950000      0.8792000
  1 1 1      -8  -27    3 o    3.828000      0.4722000       3.007000 0.8288000       4.649000      0.4528000      -1.642000      0.9445000
  1 1 1      -8  -27    4 o    6.182000      0.2900000       6.104000 0.4554000       6.261000      0.3592000     -0.1573000      0.5800000
  1 1 1      -8  -27    5 o    11.59000      0.3024000       12.19000 0.5127000       11.00000      0.3209000       1.191000      0.6049000
  1 1 1      -8  -27    6 o    9.658000      0.2388000       9.316000 0.3616000       10.00000      0.3119000     -0.6854000      0.4775000
  1 1 1      -8  -27    7 o    4.628000      0.3886000       4.064000 0.6457000       5.191000      0.4325000      -1.127000      0.7772000
  1 1 1      -8  -27    8 o    7.674000      0.2516000       7.807000 0.3705000       7.540000      0.3404000      0.2670000      0.5031000
  1 1 1      -8  -27    9 o    4.428000      0.5940000       4.106000 0.9953000       4.750000      0.6485000     -0.6436000       1.188000
  1 1 1      -8  -27   10 f    2.036000      0.6409000       2.707000 1.095000       1.366000      0.6666000       1.341000       1.282000
  1 1 1      -8  -27   11 o    2.228000      0.6493000       2.998000 1.099000       1.458000      0.6914000       1.539000       1.299000
  1 1 1      -8  -27   12 o    3.323000      0.7101000       4.796000 1.149000       1.850000      0.8344000       2.946000       1.420000
  1 1 1      -8  -27   13 o    2.317000      0.7112000       2.506000 1.111000       2.127000      0.8880000      0.3785000       1.422000
  1 1 1      -8  -27   14 o    6.352000      0.3714000       6.377000 0.4263000       6.327000      0.6083000      0.5036000E-01  0.7428000
  1 1 1      -8  -27   15 o    7.752000      0.2796000       7.973000 0.3872000       7.530000      0.4034000      0.4427000      0.5591000
  1 1 1      -8  -27   16 o    11.13000      0.2542000       11.08000 0.3716000       11.17000      0.3469000     -0.8840000E-01  0.5084000
  1 1 1      -8  -27   17 o    9.525000      0.4320000       9.122000 0.7792000       9.927000      0.3732000     -0.8051000      0.8640000
  1 1 1      -8  -27   18 o    6.298000      0.4429000       6.434000 0.5073000       6.161000      0.7262000      0.2723000      0.8858000
  1 1 1      -8  -27   19 o    3.966000      0.5776000       4.842000 0.5692000       3.090000       1.005000       1.753000       1.155000
  1 1 1      -8  -27   20 o    2.552000      0.6120000       3.358000 0.8856000       1.746000      0.8449000       1.612000       1.224000
  1 1 1      -8  -27   21 o    3.541000      0.6298000       4.069000 0.8242000       3.014000      0.9526000       1.055000       1.260000
  1 1 1      -8  -27   22 o    4.612000      0.5068000       4.541000 0.7308000       4.683000      0.7024000     -0.1428000       1.014000
  1 1 1      -8  -27   23 o    3.585000      0.6588000       3.885000 0.8938000       3.285000      0.9681000      0.5992000       1.318000
  1 1 1      -8  -27   24 o    4.065000      0.6092000       3.386000 0.9222000       4.745000      0.7963000      -1.359000       1.218000
  1 1 1      -8  -27   25 o    1.946000      0.6061000       1.927000 0.8459000       1.965000      0.8682000     -0.3768000E-01   1.212000
  1 1 1      -8  -26    1 o    4.227000      0.3675000       3.833000 0.6216000       4.622000      0.3921000     -0.7886000      0.7349000
  1 1 1      -8  -26    2 o    4.068000      0.3689000       4.082000 0.5786000       4.053000      0.4576000      0.2914000E-01  0.7377000
  1 1 1      -8  -26    3 o    3.652000      0.4198000       3.768000 0.6489000       3.536000      0.5329000      0.2328000      0.8397000
  1 1 1      -8  -26    4 o    10.32000      0.2221000       10.03000 0.3331000       10.61000      0.2937000     -0.5781000      0.4441000
  1 1 1      -8  -26    5 o    9.040000      0.2602000       9.125000 0.4193000       8.955000      0.3081000      0.1702000      0.5203000
  1 1 1      -8  -26    6 f    5.247000      0.2827000       4.997000 0.4357000       5.497000      0.3604000     -0.4999000      0.5655000
  1 1 1      -8  -26    7 o    3.189000      0.4427000       2.558000 0.7230000       3.820000      0.5111000      -1.262000      0.8854000
  1 1 1      -8  -26    8 o    6.633000      0.2621000       6.971000 0.3664000       6.295000      0.3748000      0.6765000      0.5242000
  1 1 1      -8  -26    9 o    5.603000      0.3110000       5.725000 0.4472000       5.481000      0.4323000      0.2439000      0.6220000
  1 1 1      -8  -26   10 o    6.429000      0.2634000       6.006000 0.3947000       6.851000      0.3489000     -0.8442000      0.5268000
  1 1 1      -8  -26   11 o    5.401000      0.3050000       5.446000 0.4280000       5.357000      0.4346000      0.8890000E-01  0.6099000
  1 1 1      -8  -26   12 o    6.010000      0.2748000       6.256000 0.3737000       5.765000      0.4031000      0.4907000      0.5497000
  1 1 1      -8  -26   13 o    3.994000      0.3757000       4.085000 0.4916000       3.903000      0.5683000      0.1822000      0.7514000
  1 1 1      -8  -26   14 o    5.655000      0.2666000       5.353000 0.3473000       5.956000      0.4045000     -0.6027000      0.5331000
  1 1 1      -8  -26   15 o    7.114000      0.5220000       7.318000 0.8762000       6.910000      0.5677000      0.4080000       1.044000
  1 1 1      -8  -26   16 o    2.196000      0.6852000       2.535000 1.100000       1.857000      0.8176000      0.6780000       1.370000
  1 1 1      -8  -26   17 o    2.873000      0.7446000       2.551000 1.132000       3.195000      0.9681000     -0.6442000       1.489000
  1 1 1      -8  -26   18 o    6.798000      0.2869000       7.079000 0.3757000       6.517000      0.4338000      0.5626000      0.5738000
  1 1 1      -8  -26   19 o    4.631000      0.3874000       4.461000 0.5212000       4.801000      0.5735000     -0.3392000      0.7749000
  1 1 1      -8  -26   20 o    5.276000      0.3944000       4.460000 0.5948000       6.091000      0.5180000      -1.632000      0.7888000
  1 1 1      -8  -26   21 o    4.323000      0.6411000       4.118000 0.7073000       4.528000       1.070000     -0.4099000       1.282000
  1 1 1      -8  -26   22 o    2.945000      0.7244000       3.022000 0.9159000       2.868000       1.123000      0.1533000       1.449000
  1 1 1      -8  -26   23 o    1.950000      0.6447000       1.605000 0.7733000       2.295000       1.032000     -0.6901000       1.289000
  1 1 1      -8  -26   24 o    2.223000      0.6292000       1.977000 0.8414000       2.469000      0.9357000     -0.4919000       1.258000
  1 1 1      -8  -26   25 o    1.886000      0.5973000       1.872000 0.8273000       1.900000      0.8617000     -0.2707000E-01   1.195000
  1 1 1      -8  -26   26 o    2.983000      0.6100000       3.970000 0.8445000       1.995000      0.8806000       1.975000       1.220000
  1 1 1      -8  -26   27 o    1.786000      0.8776000       1.786000 0.8776000                  ?              ?              ?              ?
  1 1 1      -8  -25    1 o    5.323000      0.2642000       5.256000 0.4139000       5.390000      0.3285000     -0.1339000      0.5284000
  1 1 1      -8  -25    2 o    5.379000      0.2699000       5.372000 0.4308000       5.387000      0.3252000     -0.1455000E-01  0.5398000
  1 1 1      -8  -25    3 o    6.957000      0.2412000       7.093000 0.3710000       6.821000      0.3084000      0.2726000      0.4824000
  1 1 1      -8  -25    4 o    6.597000      0.2249000       6.896000 0.3250000       6.298000      0.3110000      0.5977000      0.4498000
  1 1 1      -8  -25    5 o    2.365000      0.4696000       2.224000 0.6999000       2.506000      0.6264000     -0.2820000      0.9393000
  1 1 1      -8  -25    6 o    3.757000      0.3420000       3.434000 0.5079000       4.080000      0.4580000     -0.6459000      0.6840000
  1 1 1      -8  -25    7 o    8.560000      0.2201000       8.493000 0.3196000       8.627000      0.3026000     -0.1338000      0.4402000
  1 1 1      -8  -25    8 o    5.309000      0.4900000       4.537000 0.9235000       6.081000      0.3283000      -1.544000      0.9801000
  1 1 1      -8  -25    9 o    4.841000      0.2882000       4.667000 0.4154000       5.015000      0.3995000     -0.3486000      0.5764000
  1 1 1      -8  -25   10 o    6.089000      0.2659000       6.372000 0.3562000       5.806000      0.3950000      0.5658000      0.5319000
  1 1 1      -8  -25   11 o    7.187000      0.2529000       7.526000 0.3538000       6.849000      0.3615000      0.6762000      0.5058000
  1 1 1      -8  -25   12 o    5.687000      0.2988000       5.661000 0.4297000       5.713000      0.4152000     -0.5231000E-01  0.5975000
  1 1 1      -8  -25   13 o    8.341000      0.2431000       8.878000 0.3406000       7.805000      0.3470000       1.073000      0.4862000
  1 1 1      -8  -25   14 o    4.823000      0.3177000       4.523000 0.4507000       5.123000      0.4479000     -0.6003000      0.6354000
  1 1 1      -8  -25   15 f    5.756000      0.4037000       5.756000 0.4037000                  ?              ?              ?              ?
  1 1 1      -8  -25   16 o    2.052000      0.5242000       2.416000 0.7629000       1.689000      0.7190000      0.7260000       1.048000
  1 1 1      -8  -25   17 f    2.945000      0.7950000                  ?       ?   2.945000      0.7950000                  ?              ?
  1 1 1      -8  -25   18 o    8.009000      0.5018000       7.508000 0.8649000       8.510000      0.5093000      -1.002000       1.004000
  1 1 1      -8  -25   19 o    3.570000      0.7500000       3.766000 1.191000       3.375000      0.9125000      0.3904000       1.500000
  1 1 1      -8  -25   20 o    6.005000      0.6267000       5.991000 1.058000       6.018000      0.6726000     -0.2719000E-01   1.253000
  1 1 1      -8  -25   21 o    2.211000      0.6016000       2.060000 0.8238000       2.362000      0.8770000     -0.3015000       1.203000
  1 1 1      -8  -25   22 o    3.941000      0.5135000       3.849000 0.6901000       4.033000      0.7606000     -0.1835000       1.027000
  1 1 1      -8  -25   23 o    2.149000      0.6103000       2.125000 0.8488000       2.172000      0.8773000     -0.4708000E-01   1.221000
  1 1 1      -8  -25   24 o    4.120000      0.7169000       4.397000 0.8072000       3.843000       1.185000      0.5548000       1.434000
  1 1 1      -8  -25   25 o    4.228000      0.7271000       4.552000 0.8076000       3.904000       1.209000      0.6477000       1.454000
  1 1 1      -8  -25   26 o    2.644000      0.7003000       2.593000 1.001000       2.695000      0.9797000     -0.1020000       1.401000
  1 1 1      -8  -25   27 o    2.958000      0.6394000       3.459000 0.8798000       2.458000      0.9281000       1.001000       1.279000
  1 1 1      -8  -25   28 o    2.707000       1.135000       2.707000 1.135000                  ?              ?              ?              ?
  1 1 1      -8  -24    1 o    4.695000      0.2688000       5.335000 0.3786000       4.055000      0.3818000       1.280000      0.5377000
  1 1 1      -8  -24    2 o    4.582000      0.2936000       4.601000 0.4601000       4.564000      0.3648000      0.3657000E-01  0.5871000
  1 1 1      -8  -24    3 o    4.151000      0.3064000       4.114000 0.4631000       4.189000      0.4012000     -0.7539000E-01  0.6127000
  1 1 1      -8  -24    4 o    1.681000      0.4531000       1.947000 0.6756000       1.416000      0.6039000      0.5308000      0.9062000
  1 1 1      -8  -24    5 o    6.643000      0.2073000       7.012000 0.3008000       6.274000      0.2853000      0.7382000      0.4145000
  1 1 1      -8  -24    6 o    6.809000      0.2161000       6.901000 0.3140000       6.717000      0.2970000      0.1846000      0.4322000
  1 1 1      -8  -24    7 o    9.827000      0.2061000       9.805000 0.2962000       9.850000      0.2866000     -0.4525000E-01  0.4121000
  1 1 1      -8  -24    8 o    4.758000      0.2773000       4.691000 0.3750000       4.825000      0.4085000     -0.1335000      0.5546000
  1 1 1      -8  -24    9 o    4.890000      0.2675000       5.256000 0.3361000       4.525000      0.4162000      0.7313000      0.5349000
  1 1 1      -8  -24   10 o    1.548000      0.4614000       1.407000 0.6131000       1.690000      0.6897000     -0.2831000      0.9228000
  1 1 1      -8  -24   11 f    7.770000      0.2334000       8.092000 0.3236000       7.449000      0.3364000      0.6427000      0.4668000
  1 1 1      -8  -24   12 o    8.133000      0.2338000       8.195000 0.3329000       8.071000      0.3283000      0.1243000      0.4675000
  1 1 1      -8  -24   13 o    9.471000      0.2303000       9.353000 0.3291000       9.589000      0.3224000     -0.2367000      0.4606000
  1 1 1      -8  -24   14 o    10.64000      0.2306000       11.01000 0.3289000       10.27000      0.3235000      0.7375000      0.4613000
  1 1 1      -8  -24   15 o    12.40000      0.3480000       12.40000 0.3480000                  ?              ?              ?              ?
  1 1 1      -8  -24   16 o    6.948000      0.2654000       7.439000 0.3643000       6.457000      0.3860000      0.9821000      0.5308000
  1 1 1      -8  -24   17 o    2.927000      0.7527000                  ?       ?   2.927000      0.7527000                  ?              ?
  1 1 1      -8  -24   18 o    3.711000      0.4729000       4.112000 0.5713000       3.311000      0.7539000      0.8010000      0.9459000
  1 1 1      -8  -24   19 o    8.528000      0.2766000       8.503000 0.3934000       8.553000      0.3888000     -0.5019000E-01  0.5532000
  1 1 1      -8  -24   20 o    1.891000      0.5308000       2.078000 0.7553000       1.704000      0.7461000      0.3745000       1.062000
  1 1 1      -8  -24   21 o    2.692000      0.7553000       2.600000 1.135000       2.785000      0.9974000     -0.1856000       1.511000
  1 1 1      -8  -24   22 o    3.669000      0.7550000       3.261000 1.214000       4.077000      0.8985000     -0.8161000       1.510000
  1 1 1      -8  -24   23 o    5.057000      0.7391000       5.013000 1.221000       5.100000      0.8329000     -0.8722000E-01   1.478000
  1 1 1      -8  -24   24 o    4.613000      0.4759000       4.757000 0.5997000       4.469000      0.7393000      0.2874000      0.9519000
  1 1 1      -8  -24   25 o    2.756000      0.6343000       2.165000 0.8591000       3.348000      0.9334000      -1.183000       1.269000
  1 1 1      -8  -24   26 o    2.202000      0.6528000       2.124000 0.8389000       2.279000       1.001000     -0.1548000       1.306000
  1 1 1      -8  -24   27 o    4.050000      0.7101000       4.875000 0.8004000       3.225000       1.173000       1.650000       1.420000
  1 1 1      -8  -24   28 o    1.883000      0.5924000       1.645000 0.7979000       2.121000      0.8759000     -0.4762000       1.185000
  1 1 1      -8  -24   29 o    2.118000      0.9798000       2.118000 0.9798000                  ?              ?              ?              ?
  1 1 1      -8  -23    1 o    10.09000      0.2006000       10.35000 0.2989000       9.833000      0.2676000      0.5207000      0.4012000
  1 1 1      -8  -23    2 o    7.217000      0.2464000       7.341000 0.4140000       7.092000      0.2675000      0.2486000      0.4929000
  1 1 1      -8  -23    3 o    7.085000      0.1974000       6.866000 0.2885000       7.305000      0.2695000     -0.4390000      0.3948000
  1 1 1      -8  -23    4 o    4.257000      0.2498000       4.341000 0.3651000       4.173000      0.3411000      0.1679000      0.4996000
  1 1 1      -8  -23    5 o    9.140000      0.1968000       9.120000 0.2864000       9.160000      0.2700000     -0.4056000E-01  0.3936000
  1 1 1      -8  -23    6 o    7.174000      0.2075000       7.235000 0.2935000       7.114000      0.2935000      0.1210000      0.4151000
  1 1 1      -8  -23    7 o    1.725000      0.4172000       1.134000 0.5197000       2.315000      0.6529000      -1.181000      0.8344000
  1 1 1      -8  -23    8 f    4.318000      0.2892000       3.945000 0.4136000       4.691000      0.4044000     -0.7467000      0.5785000
  1 1 1      -8  -23    9 o    5.716000      0.2362000       5.505000 0.3315000       5.928000      0.3364000     -0.4228000      0.4723000
  1 1 1      -8  -23   10 o    3.802000      0.3798000       4.399000 0.4226000       3.205000      0.6313000       1.195000      0.7597000
  1 1 1      -8  -23   11 o    3.016000      0.4600000       2.947000 0.6332000       3.085000      0.6674000     -0.1385000      0.9200000
  1 1 1      -8  -23   12 o    9.571000      0.2244000       9.708000 0.3202000       9.435000      0.3144000      0.2723000      0.4487000
  1 1 1      -8  -23   13 o    11.80000      0.2305000       11.88000 0.3301000       11.72000      0.3217000      0.1583000      0.4609000
  1 1 1      -8  -23   14 o    12.68000      0.2391000       12.76000 0.3399000       12.60000      0.3364000      0.1581000      0.4782000
  1 1 1      -8  -23   15 o    12.06000      0.2423000       12.43000 0.3475000       11.69000      0.3378000      0.7372000      0.4846000
  1 1 1      -8  -23   16 o    4.495000      0.3684000       4.936000 0.4764000       4.054000      0.5621000      0.8816000      0.7368000
  1 1 1      -8  -23   17 o    5.497000      0.3026000       5.274000 0.4236000       5.721000      0.4322000     -0.4472000      0.6052000
  1 1 1      -8  -23   18 o    10.26000      0.2462000       10.46000 0.3511000       10.05000      0.3453000      0.4075000      0.4925000
  1 1 1      -8  -23   19 o    12.15000      0.2522000       12.31000 0.3610000       11.99000      0.3522000      0.3182000      0.5043000
  1 1 1      -8  -23   20 o    6.634000      0.3103000       6.649000 0.4138000       6.619000      0.4624000      0.2995000E-01  0.6205000
  1 1 1      -8  -23   21 o    3.180000      0.5526000       2.723000 0.8088000       3.637000      0.7532000     -0.9139000       1.105000
  1 1 1      -8  -23   22 o    2.379000      0.5832000       1.917000 0.7950000       2.840000      0.8535000     -0.9233000       1.166000
  1 1 1      -8  -23   23 o    5.595000      0.4133000       6.217000 0.4941000       4.973000      0.6626000       1.244000      0.8266000
  1 1 1      -8  -23   24 o    4.106000      0.7609000       4.539000 1.132000       3.673000       1.017000      0.8663000       1.522000
  1 1 1      -8  -23   25 o    2.583000      0.7629000       2.410000 1.082000       2.757000       1.076000     -0.3473000       1.526000
  1 1 1      -8  -23   26 o    2.729000      0.6392000       2.241000 0.8706000       3.216000      0.9361000     -0.9753000       1.278000
  1 1 1      -8  -23   27 o    3.978000      0.6053000       4.271000 0.7784000       3.685000      0.9271000      0.5862000       1.211000
  1 1 1      -8  -23   28 o    4.118000      0.6347000       4.179000 0.6874000       4.056000       1.067000      0.1225000       1.269000
  1 1 1      -8  -23   29 o    2.031000      0.6574000       1.970000 0.8976000       2.092000      0.9606000     -0.1218000       1.315000
  1 1 1      -8  -22    1 o    6.664000      0.1996000       6.240000 0.3072000       7.087000      0.2549000     -0.8470000      0.3992000
  1 1 1      -8  -22    2 o    11.93000      0.2021000       11.86000 0.2933000       12.01000      0.2781000     -0.1425000      0.4042000
  1 1 1      -8  -22    3 o    7.509000      0.1849000       7.601000 0.2727000       7.417000      0.2497000      0.1844000      0.3698000
  1 1 1      -8  -22    4 o    4.828000      0.2234000       4.590000 0.3294000       5.066000      0.3017000     -0.4762000      0.4467000
  1 1 1      -8  -22    5 o    8.365000      0.1890000       8.459000 0.2732000       8.272000      0.2611000      0.1863000      0.3779000
  1 1 1      -8  -22    6 o    9.057000      0.1909000       9.254000 0.2752000       8.860000      0.2648000      0.3937000      0.3819000
  1 1 1      -8  -22    7 o    2.639000      0.4056000       3.179000 0.4780000       2.100000      0.6553000       1.078000      0.8111000
  1 1 1      -8  -22    8 o    2.046000      0.4644000       1.900000 0.6249000       2.192000      0.6872000     -0.2916000      0.9288000
  1 1 1      -8  -22    9 o    10.17000      0.2087000       10.12000 0.2961000       10.22000      0.2942000     -0.9931000E-01  0.4174000
  1 1 1      -8  -22   10 o    6.172000      0.2425000       6.098000 0.3334000       6.246000      0.3524000     -0.1477000      0.4851000
  1 1 1      -8  -22   11 o    3.109000      0.3995000       2.568000 0.6206000       3.649000      0.5033000      -1.080000      0.7990000
  1 1 1      -8  -22   12 o    6.833000      0.2409000       7.226000 0.3206000       6.440000      0.3595000      0.7862000      0.4817000
  1 1 1      -8  -22   13 o    4.533000      0.3286000       4.168000 0.4912000       4.899000      0.4367000     -0.7314000      0.6573000
  1 1 1      -8  -22   14 o    7.595000      0.2450000       7.660000 0.3506000       7.530000      0.3422000      0.1303000      0.4899000
  1 1 1      -8  -22   15 o    7.638000      0.2490000       7.740000 0.3488000       7.536000      0.3554000      0.2035000      0.4979000
  1 1 1      -8  -22   16 o    9.911000      0.2436000       10.18000 0.3489000       9.643000      0.3401000      0.5369000      0.4872000
  1 1 1      -8  -22   17 o    9.799000      0.2421000       9.610000 0.3446000       9.988000      0.3403000     -0.3777000      0.4843000
  1 1 1      -8  -22   18 o    11.31000      0.2479000       11.11000 0.3513000       11.50000      0.3500000     -0.3959000      0.4959000
  1 1 1      -8  -22   19 o    5.769000      0.3274000       6.209000 0.4109000       5.329000      0.5099000      0.8803000      0.6548000
  1 1 1      -8  -22   20 o    6.827000      0.3012000       6.809000 0.4113000       6.845000      0.4402000     -0.3559000E-01  0.6025000
  1 1 1      -8  -22   21 o    5.349000      0.3422000       5.273000 0.4596000       5.424000      0.5072000     -0.1506000      0.6845000
  1 1 1      -8  -22   22 o    6.022000      0.3429000       5.965000 0.4558000       6.079000      0.5125000     -0.1147000      0.6858000
  1 1 1      -8  -22   23 o    7.531000      0.3110000       7.449000 0.4310000       7.613000      0.4486000     -0.1639000      0.6221000
  1 1 1      -8  -22   24 o    2.343000      0.6056000       1.904000 0.8014000       2.782000      0.9080000     -0.8779000       1.211000
  1 1 1      -8  -22   25 o    2.902000      0.6287000       2.465000 0.8711000       3.339000      0.9069000     -0.8746000       1.257000
  1 1 1      -8  -22   26 o    3.216000      0.7550000       4.188000 1.159000       2.244000      0.9676000       1.944000       1.510000
  1 1 1      -8  -22   27 o    5.374000      0.7273000       5.406000 1.131000       5.341000      0.9141000      0.6557000E-01   1.455000
  1 1 1      -8  -22   28 o    4.774000      0.4948000       4.684000 0.6885000       4.864000      0.7108000     -0.1796000      0.9896000
  1 1 1      -8  -22   29 o    3.512000      0.6132000       2.918000 0.9388000       4.107000      0.7891000      -1.188000       1.226000
  1 1 1      -8  -22   30 o    2.360000      0.7157000       2.493000 1.019000       2.226000       1.005000      0.2666000       1.431000
  1 1 1      -8  -21    1 o    12.83000      0.2481000       13.26000 0.4116000       12.40000      0.2773000      0.8544000      0.4963000
  1 1 1      -8  -21    2 o    14.15000      0.2196000       14.04000 0.3136000       14.26000      0.3074000     -0.2193000      0.4391000
  1 1 1      -8  -21    3 o    11.21000      0.1939000       11.37000 0.2830000       11.05000      0.2653000      0.3207000      0.3879000
  1 1 1      -8  -21    4 o    2.675000      0.3523000       2.766000 0.4810000       2.584000      0.5149000      0.1818000      0.7047000
  1 1 1      -8  -21    5 o    4.009000      0.2464000       3.966000 0.3297000       4.051000      0.3662000     -0.8523000E-01  0.4927000
  1 1 1      -8  -21    6 o    4.881000      0.2223000       5.131000 0.2965000       4.631000      0.3314000      0.5001000      0.4446000
  1 1 1      -8  -21    7 o    5.695000      0.2063000       5.707000 0.2864000       5.682000      0.2969000      0.2557000E-01  0.4125000
  1 1 1      -8  -21    8 o    4.320000      0.2736000       4.258000 0.3829000       4.382000      0.3909000     -0.1237000      0.5472000
  1 1 1      -8  -21    9 o    7.794000      0.2074000       7.512000 0.2910000       8.076000      0.2956000     -0.5646000      0.4148000
  1 1 1      -8  -21   10 o    5.883000      0.2288000       5.790000 0.3166000       5.976000      0.3303000     -0.1853000      0.4575000
  1 1 1      -8  -21   11 o    4.918000      0.2924000       4.752000 0.4040000       5.083000      0.4229000     -0.3301000      0.5849000
  1 1 1      -8  -21   12 o    3.598000      0.3937000       3.614000 0.5373000       3.582000      0.5758000      0.3230000E-01  0.7875000
  1 1 1      -8  -21   13 o    4.547000      0.3195000       4.861000 0.4104000       4.234000      0.4897000      0.6264000      0.6389000
  1 1 1      -8  -21   14 o    14.53000      0.2502000       14.38000 0.3570000       14.69000      0.3505000     -0.3104000      0.5003000
  1 1 1      -8  -21   15 o    16.47000      0.2689000       16.71000 0.3861000       16.22000      0.3743000      0.4923000      0.5378000
  1 1 1      -8  -21   16 o    10.02000      0.3397000       10.02000 0.3397000                  ?              ?              ?              ?
  1 1 1      -8  -21   17 o    4.119000      0.3818000       4.030000 0.5329000       4.208000      0.5470000     -0.1780000      0.7637000
  1 1 1      -8  -21   18 o    2.074000      0.7860000                  ?       ?   2.074000      0.7860000                  ?              ?
  1 1 1      -8  -21   19 o    7.404000      0.2593000       7.435000 0.3608000       7.373000      0.3725000      0.6221000E-01  0.5186000
  1 1 1      -8  -21   20 o    9.046000      0.2517000       9.012000 0.3517000       9.080000      0.3601000     -0.6792000E-01  0.5033000
  1 1 1      -8  -21   21 o    3.839000      0.4842000       3.710000 0.6580000       3.968000      0.7104000     -0.2576000      0.9683000
  1 1 1      -8  -21   22 f    3.136000      0.5434000       3.481000 0.6777000       2.790000      0.8497000      0.6913000       1.087000
  1 1 1      -8  -21   23 o    6.414000      0.3415000       6.718000 0.4565000       6.110000      0.5080000      0.6085000      0.6830000
  1 1 1      -8  -21   24 o    2.939000      0.5915000       3.231000 0.7912000       2.646000      0.8796000      0.5846000       1.183000
  1 1 1      -8  -21   25 o    3.424000      0.5794000       3.416000 0.7798000       3.433000      0.8571000     -0.1758000E-01   1.159000
  1 1 1      -8  -21   26 o    1.947000      0.5616000       2.260000 0.8346000       1.634000      0.7518000      0.6254000       1.123000
  1 1 1      -8  -21   27 o    2.707000      0.6218000       2.465000 0.8404000       2.950000      0.9167000     -0.4852000       1.244000
  1 1 1      -8  -21   28 o    2.337000      0.7238000       2.659000 1.118000       2.014000      0.9192000      0.6452000       1.448000
  1 1 1      -8  -21   29 o    2.860000      0.7012000       3.108000 0.8928000       2.613000       1.082000      0.4946000       1.402000
  1 1 1      -8  -21   30 o    2.973000      0.6645000       2.789000 0.9577000       3.157000      0.9213000     -0.3679000       1.329000
  1 1 1      -8  -21   31 o    1.968000      0.5955000       1.703000 0.7767000       2.233000      0.9029000     -0.5299000       1.191000
  1 1 1      -8  -20    1 o    7.200000      0.1682000       7.113000 0.2438000       7.287000      0.2318000     -0.1748000      0.3364000
  1 1 1      -8  -20    2 o    3.196000      0.2624000       3.019000 0.3987000       3.373000      0.3411000     -0.3539000      0.5247000
  1 1 1      -8  -20    3 o    2.133000      0.4054000       2.133000 0.4823000       2.132000      0.6518000      0.8144000E-03  0.8108000
  1 1 1      -8  -20    4 o    3.742000      0.2946000       3.840000 0.3763000       3.643000      0.4535000      0.1969000      0.5892000
  1 1 1      -8  -20    5 o    9.902000      0.2461000       9.811000 0.3350000       9.993000      0.3607000     -0.1819000      0.4923000
  1 1 1      -8  -20    6 o    6.916000      0.2471000       7.389000 0.3142000       6.444000      0.3814000      0.9446000      0.4941000
  1 1 1      -8  -20    7 o    9.244000      0.2525000       9.263000 0.3379000       9.226000      0.3752000      0.3659000E-01  0.5049000
  1 1 1      -8  -20    8 o    7.250000      0.2047000       7.496000 0.2845000       7.005000      0.2944000      0.4907000      0.4093000
  1 1 1      -8  -20    9 o    2.627000      0.3948000       3.259000 0.4517000       1.996000      0.6476000       1.263000      0.7896000
  1 1 1      -8  -20   10 o    4.576000      0.2828000       4.806000 0.3812000       4.346000      0.4177000      0.4607000      0.5655000
  1 1 1      -8  -20   11 o    6.370000      0.2313000       6.541000 0.3125000       6.199000      0.3411000      0.3424000      0.4626000
  1 1 1      -8  -20   12 o    5.487000      0.2671000       5.385000 0.3838000       5.589000      0.3715000     -0.2036000      0.5342000
  1 1 1      -8  -20   13 o    3.716000      0.3634000       3.810000 0.4986000       3.621000      0.5289000      0.1898000      0.7268000
  1 1 1      -8  -20   14 o    14.01000      0.2418000       14.21000 0.3457000       13.80000      0.3381000      0.4026000      0.4835000
  1 1 1      -8  -20   15 o    4.556000      0.3341000       4.792000 0.4219000       4.319000      0.5181000      0.4728000      0.6681000
  1 1 1      -8  -20   16 o    11.52000      0.3433000       11.52000 0.3433000                  ?              ?              ?              ?
  1 1 1      -8  -20   17 o    8.005000      0.2541000       7.937000 0.3487000       8.073000      0.3696000     -0.1354000      0.5081000
  1 1 1      -8  -20   18 o    7.366000      0.3827000                  ?       ?   7.366000      0.3827000                  ?              ?
  1 1 1      -8  -20   19 o    5.473000      0.3138000       5.673000 0.4182000       5.273000      0.4679000      0.3995000      0.6276000
  1 1 1      -8  -20   20 o    5.549000      0.3074000       6.086000 0.3853000       5.013000      0.4791000       1.073000      0.6148000
  1 1 1      -8  -20   21 f    11.04000      0.2575000       10.90000 0.3667000       11.17000      0.3615000     -0.2696000      0.5149000
  1 1 1      -8  -20   22 o    4.917000      0.3862000       4.659000 0.5318000       5.176000      0.5603000     -0.5163000      0.7725000
  1 1 1      -8  -20   23 o    2.422000      0.5598000       1.754000 0.7409000       3.091000      0.8394000      -1.337000       1.120000
  1 1 1      -8  -20   24 o    2.050000      0.5667000       2.382000 0.8303000       1.718000      0.7714000      0.6640000       1.133000
  1 1 1      -8  -20   25 o    3.567000      0.5450000       4.391000 0.6161000       2.743000      0.8992000       1.648000       1.090000
  1 1 1      -8  -20   26 o    1.924000      0.5755000       1.880000 0.7854000       1.967000      0.8415000     -0.8646000E-01   1.151000
  1 1 1      -8  -20   27 o    4.459000      0.5164000       4.806000 0.6402000       4.113000      0.8105000      0.6927000       1.033000
  1 1 1      -8  -20   28 o    2.127000      0.6151000       2.378000 0.8919000       1.876000      0.8471000      0.5022000       1.230000
  1 1 1      -8  -20   29 o    3.265000      0.7647000       3.676000 1.069000       2.854000       1.093000      0.8212000       1.529000
  1 1 1      -8  -20   30 o    4.156000      0.7508000       3.485000 1.168000       4.828000      0.9443000      -1.343000       1.502000
  1 1 1      -8  -20   31 o    2.817000      0.6745000       2.841000 0.9396000       2.793000      0.9679000      0.4871000E-01   1.349000
  1 1 1      -8  -20   32 o    1.777000      0.5703000       1.843000 0.8222000       1.711000      0.7904000      0.1318000       1.141000
  1 1 1      -8  -19    1 o    3.361000      0.3761000       3.435000 0.5949000       3.288000      0.4603000      0.1473000      0.7522000
  1 1 1      -8  -19    3 o    2.113000      0.4248000       2.027000 0.4667000       2.199000      0.7100000     -0.1722000      0.8497000
  1 1 1      -8  -19    4 o    9.406000      0.1808000       9.540000 0.2567000       9.272000      0.2547000      0.2680000      0.3616000
  1 1 1      -8  -19    5 o    9.038000      0.1807000       8.844000 0.2600000       9.233000      0.2508000     -0.3890000      0.3613000
  1 1 1      -8  -19    6 o    4.231000      0.2344000       4.601000 0.3072000       3.861000      0.3542000      0.7398000      0.4688000
  1 1 1      -8  -19    7 o    1.478000      0.4065000       1.386000 0.5638000       1.569000      0.5858000     -0.1833000      0.8131000
  1 1 1      -8  -19    8 o    6.515000      0.1986000       6.632000 0.2844000       6.398000      0.2774000      0.2340000      0.3973000
  1 1 1      -8  -19    9 o    2.888000      0.4880000       2.783000 0.6201000       2.992000      0.7538000     -0.2096000      0.9761000
  1 1 1      -8  -19   10 o    4.263000      0.3976000       4.478000 0.4414000       4.048000      0.6613000      0.4307000      0.7951000
  1 1 1      -8  -19   11 o    7.766000      0.2784000       8.349000 0.3445000       7.182000      0.4374000       1.167000      0.5568000
  1 1 1      -8  -19   12 o    7.719000      0.2319000       7.469000 0.3290000       7.970000      0.3269000     -0.5010000      0.4638000
  1 1 1      -8  -19   13 o    6.643000      0.2346000       6.694000 0.3282000       6.593000      0.3353000      0.1012000      0.4691000
  1 1 1      -8  -19   14 o    3.192000      0.4159000       3.220000 0.5663000       3.163000      0.6092000      0.5708000E-01  0.8318000
  1 1 1      -8  -19   15 o    10.98000      0.2268000       11.03000 0.3187000       10.93000      0.3227000      0.9736000E-01  0.4536000
  1 1 1      -8  -19   16 o    13.13000      0.2441000       13.07000 0.3457000       13.20000      0.3447000     -0.1343000      0.4882000
  1 1 1      -8  -19   17 o    4.073000      0.3823000       4.713000 0.4361000       3.433000      0.6280000       1.279000      0.7646000
  1 1 1      -8  -19   18 o    5.120000      0.3180000       5.020000 0.4547000       5.219000      0.4446000     -0.1986000      0.6360000
  1 1 1      -8  -19   19 o    4.822000      0.3578000       5.296000 0.4345000       4.347000      0.5686000      0.9492000      0.7156000
  1 1 1      -8  -19   20 o    5.344000      0.3351000       5.643000 0.4398000       5.046000      0.5057000      0.5966000      0.6702000
  1 1 1      -8  -19   21 o    6.486000      0.2829000       6.380000 0.3882000       6.591000      0.4115000     -0.2118000      0.5657000
  1 1 1      -8  -19   22 o    4.598000      0.3922000       4.605000 0.5268000       4.592000      0.5812000      0.1328000E-01  0.7844000
  1 1 1      -8  -19   23 o    4.161000      0.4362000       3.861000 0.6143000       4.460000      0.6194000     -0.5984000      0.8724000
  1 1 1      -8  -19   24 o    4.237000      0.4804000       4.720000 0.5784000       3.754000      0.7673000      0.9653000      0.9609000
  1 1 1      -8  -19   25 o    1.963000      0.5634000       2.157000 0.8168000       1.769000      0.7763000      0.3882000       1.127000
  1 1 1      -8  -19   26 o    6.325000      0.3440000       6.460000 0.4592000       6.190000      0.5122000      0.2692000      0.6879000
  1 1 1      -8  -19   27 o    2.860000      0.6336000       2.704000 0.8718000       3.015000      0.9198000     -0.3111000       1.267000
  1 1 1      -8  -19   28 o    2.676000      0.6355000       3.092000 0.8866000       2.260000      0.9108000      0.8313000       1.271000
  1 1 1      -8  -19   29 o    2.453000      0.6085000       3.131000 0.8969000       1.775000      0.8226000       1.356000       1.217000
  1 1 1      -8  -19   30 o    3.300000      0.7575000       3.935000 1.212000       2.664000      0.9097000       1.271000       1.515000
  1 1 1      -8  -19   31 o    3.239000      0.8035000       3.362000 1.168000       3.116000       1.104000      0.2457000       1.607000
  1 1 1      -8  -19   32 o    2.342000      0.6424000       2.395000 0.9047000       2.288000      0.9122000      0.1069000       1.285000
  1 1 1      -8  -18    1 o    13.88000      0.2099000       14.11000 0.3021000       13.64000      0.2914000      0.4663000      0.4198000
  1 1 1      -8  -18    2 o    4.275000      0.2023000       4.293000 0.2813000       4.257000      0.2907000      0.3520000E-01  0.4045000
  1 1 1      -8  -18    3 o    1.326000      0.3726000       1.074000 0.4841000       1.577000      0.5665000     -0.5030000      0.7452000
  1 1 1      -8  -18    4 o    5.418000      0.3349000       5.150000 0.5372000       5.686000      0.3999000     -0.5361000      0.6697000
  1 1 1      -8  -18    5 o    3.557000      0.4461000       3.052000 0.7649000       4.061000      0.4592000      -1.008000      0.8922000
  1 1 1      -8  -18    6 o    1.879000      0.5252000       1.730000 0.7637000       2.029000      0.7213000     -0.2995000       1.050000
  1 1 1      -8  -18    7 o    2.490000      0.5524000       2.868000 0.8578000       2.112000      0.6961000      0.7564000       1.105000
  1 1 1      -8  -18    8 o    10.74000      0.2466000       10.59000 0.2876000       10.90000      0.4007000     -0.3046000      0.4933000
  1 1 1      -8  -18    9 o    6.372000      0.2097000       6.560000 0.2990000       6.184000      0.2939000      0.3758000      0.4193000
  1 1 1      -8  -18   10 o    4.027000      0.3030000       4.442000 0.3815000       3.612000      0.4709000      0.8299000      0.6061000
  1 1 1      -8  -18   11 o    1.811000      0.4525000       2.001000 0.6322000       1.620000      0.6476000      0.3811000      0.9050000
  1 1 1      -8  -18   12 o    5.559000      0.3196000       5.831000 0.3810000       5.287000      0.5131000      0.5431000      0.6391000
  1 1 1      -8  -18   13 o    8.872000      0.2925000       9.098000 0.3722000       8.646000      0.4514000      0.4517000      0.5850000
  1 1 1      -8  -18   14 o    2.613000      0.5571000       2.945000 0.6903000       2.282000      0.8747000      0.6635000       1.114000
  1 1 1      -8  -18   15 o    7.263000      0.2360000       6.792000 0.3394000       7.735000      0.3280000     -0.9422000      0.4720000
  1 1 1      -8  -18   16 o    4.754000      0.3112000       4.604000 0.4265000       4.905000      0.4533000     -0.3004000      0.6224000
  1 1 1      -8  -18   17 f    5.285000      0.2948000       5.431000 0.3827000       5.140000      0.4485000      0.2910000      0.5896000
  1 1 1      -8  -18   18 o    13.28000      0.2449000       12.88000 0.3406000       13.67000      0.3519000     -0.7842000      0.4897000
  1 1 1      -8  -18   19 f    2.648000      0.5197000       2.278000 0.7445000       3.018000      0.7254000     -0.7402000       1.039000
  1 1 1      -8  -18   20 o    8.576000      0.2573000       8.838000 0.3570000       8.314000      0.3706000      0.5247000      0.5146000
  1 1 1      -8  -18   21 o    6.918000      0.2792000       6.790000 0.3885000       7.047000      0.4011000     -0.2564000      0.5584000
  1 1 1      -8  -18   22 o    3.064000      0.5084000       2.950000 0.6914000       3.179000      0.7455000     -0.2289000       1.017000
  1 1 1      -8  -18   23 o    3.966000      0.4793000       4.137000 0.6111000       3.795000      0.7386000      0.3414000      0.9586000
  1 1 1      -8  -18   24 o    9.419000      0.2733000       9.290000 0.3807000       9.547000      0.3923000     -0.2567000      0.5467000
  1 1 1      -8  -18   25 o    2.146000      0.5887000       2.148000 0.8175000       2.145000      0.8472000      0.2830000E-02   1.177000
  1 1 1      -8  -18   26 o    5.916000      0.3694000       5.318000 0.5423000       6.514000      0.5018000      -1.195000      0.7388000
  1 1 1      -8  -18   27 o    3.434000      0.6053000       3.092000 0.8607000       3.775000      0.8513000     -0.6822000       1.211000
  1 1 1      -8  -18   28 o    3.506000      0.5656000       2.561000 0.8557000       4.452000      0.7400000      -1.890000       1.131000
  1 1 1      -8  -18   29 o    5.510000      0.4360000       6.087000 0.5215000       4.932000      0.6989000       1.155000      0.8720000
  1 1 1      -8  -18   30 o    5.459000      0.4519000       5.733000 0.5842000       5.185000      0.6896000      0.5478000      0.9038000
  1 1 1      -8  -18   31 o    3.193000      0.6405000       3.717000 0.8698000       2.669000      0.9403000       1.048000       1.281000
  1 1 1      -8  -18   32 o    3.320000      0.7869000       3.686000 1.135000       2.953000       1.090000      0.7335000       1.574000
  1 1 1      -8  -18   33 o    2.582000      0.6241000       2.037000 0.8517000       3.126000      0.9124000      -1.089000       1.248000
  1 1 1      -8  -17    1 o    5.530000      0.1651000       5.680000 0.2336000       5.381000      0.2334000      0.2990000      0.3302000
  1 1 1      -8  -17    2 f    14.33000      0.2171000       14.37000 0.3093000       14.29000      0.3046000      0.7923000E-01  0.4341000
  1 1 1      -8  -17    3 o    4.007000      0.2289000       4.212000 0.2951000       3.801000      0.3500000      0.4105000      0.4578000
  1 1 1      -8  -17    4 o    8.670000      0.1771000       8.516000 0.2528000       8.823000      0.2480000     -0.3073000      0.3541000
  1 1 1      -8  -17    5 o    9.200000      0.1822000       9.262000 0.2591000       9.137000      0.2562000      0.1252000      0.3644000
  1 1 1      -8  -17    6 o    10.68000      0.1934000       10.49000 0.2741000       10.87000      0.2729000     -0.3744000      0.3868000
  1 1 1      -8  -17    7 o    5.852000      0.2062000       5.788000 0.2906000       5.917000      0.2927000     -0.1282000      0.4125000
  1 1 1      -8  -17    8 o    3.174000      0.4996000       3.156000 0.8697000       3.192000      0.4921000     -0.3641000E-01  0.9993000
  1 1 1      -8  -17    9 o    11.42000      0.3077000       11.69000 0.4595000       11.15000      0.4093000      0.5322000      0.6153000
  1 1 1      -8  -17   10 o    3.515000      0.5423000       3.326000 0.9121000       3.703000      0.5868000     -0.3765000       1.085000
  1 1 1      -8  -17   11 o    3.832000      0.3507000       3.303000 0.4077000       4.361000      0.5708000      -1.057000      0.7015000
  1 1 1      -8  -17   12 o    5.339000      0.2524000       5.425000 0.3526000       5.253000      0.3613000      0.1719000      0.5048000
  1 1 1      -8  -17   13 o    6.893000      0.2317000       6.926000 0.3239000       6.860000      0.3315000      0.6551000E-01  0.4635000
  1 1 1      -8  -17   14 o    3.558000      0.4767000       3.638000 0.4760000       3.479000      0.8261000      0.1593000      0.9534000
  1 1 1      -8  -17   15 o    2.928000      0.5762000       2.526000 0.7568000       3.330000      0.8691000     -0.8042000       1.152000
  1 1 1      -8  -17   16 o    7.979000      0.3018000       8.097000 0.3873000       7.860000      0.4630000      0.2365000      0.6036000
  1 1 1      -8  -17   17 o    10.56000      0.3256000       10.56000 0.3256000                  ?              ?              ?              ?
  1 1 1      -8  -17   18 o    9.674000      0.2350000       9.815000 0.3323000       9.533000      0.3324000      0.2817000      0.4700000
  1 1 1      -8  -17   19 o    10.43000      0.3401000                  ?       ?   10.43000      0.3401000                  ?              ?
  1 1 1      -8  -17   20 o    7.837000      0.2671000       7.760000 0.3791000       7.914000      0.3764000     -0.1541000      0.5342000
  1 1 1      -8  -17   21 o    7.959000      0.2517000       7.839000 0.3521000       8.078000      0.3598000     -0.2386000      0.5034000
  1 1 1      -8  -17   22 f    9.198000      0.2571000       9.044000 0.3547000       9.352000      0.3722000     -0.3081000      0.5141000
  1 1 1      -8  -17   23 o    3.606000      0.4750000       3.548000 0.6251000       3.665000      0.7154000     -0.1167000      0.9501000
  1 1 1      -8  -17   24 f    7.883000      0.2871000       7.600000 0.4086000       8.167000      0.4036000     -0.5671000      0.5743000
  1 1 1      -8  -17   25 o    5.804000      0.3576000       5.555000 0.4991000       6.054000      0.5124000     -0.4987000      0.7152000
  1 1 1      -8  -17   26 f    2.856000      0.6018000       2.740000 0.8306000       2.972000      0.8711000     -0.2319000       1.204000
  1 1 1      -8  -17   27 o    2.554000      0.5980000       1.916000 0.8061000       3.191000      0.8834000      -1.275000       1.196000
  1 1 1      -8  -17   28 o    9.272000      0.2948000       9.576000 0.3914000       8.969000      0.4411000      0.6070000      0.5897000
  1 1 1      -8  -17   29 o    5.844000      0.4010000       5.484000 0.5618000       6.203000      0.5723000     -0.7196000      0.8020000
  1 1 1      -8  -17   30 o    5.062000      0.4844000       5.531000 0.5973000       4.593000      0.7628000      0.9375000      0.9689000
  1 1 1      -8  -17   31 o    2.731000      0.6338000       2.168000 0.8877000       3.294000      0.9049000      -1.126000       1.268000
  1 1 1      -8  -17   32 o    1.841000      0.5803000       1.717000 0.7824000       1.966000      0.8571000     -0.2487000       1.161000
  1 1 1      -8  -17   33 o    2.532000      0.7390000       2.722000 1.101000       2.343000      0.9858000      0.3793000       1.478000
  1 1 1      -8  -16    1 o    13.31000      0.2037000       13.43000 0.2913000       13.20000      0.2848000      0.2292000      0.4073000
  1 1 1      -8  -16    2 o    10.67000      0.1815000       10.63000 0.2574000       10.70000      0.2558000     -0.6855000E-01  0.3629000
  1 1 1      -8  -16    3 o    3.357000      0.2545000       3.096000 0.3707000       3.617000      0.3488000     -0.5206000      0.5090000
  1 1 1      -8  -16    4 o    3.686000      0.2397000       3.852000 0.3229000       3.520000      0.3543000      0.3315000      0.4793000
  1 1 1      -8  -16    5 o    12.78000      0.2065000       12.56000 0.2912000       13.00000      0.2928000     -0.4432000      0.4129000
  1 1 1      -8  -16    6 o    4.871000      0.2274000       4.829000 0.3217000       4.914000      0.3216000     -0.8524000E-01  0.4549000
  1 1 1      -8  -16    7 o    7.582000      0.1892000       7.597000 0.2697000       7.568000      0.2654000      0.2869000E-01  0.3784000
  1 1 1      -8  -16    8 o    3.289000      0.3199000       3.294000 0.4331000       3.285000      0.4709000      0.9776000E-02  0.6397000
  1 1 1      -8  -16    9 o    9.693000      0.1972000       9.525000 0.2770000       9.860000      0.2808000     -0.3353000      0.3944000
  1 1 1      -8  -16   10 o    5.613000      0.2292000       5.817000 0.3084000       5.410000      0.3392000      0.4069000      0.4584000
  1 1 1      -8  -16   11 o    4.366000      0.4494000       3.800000 0.7599000       4.933000      0.4801000      -1.132000      0.8988000
  1 1 1      -8  -16   12 o    7.427000      0.3360000       7.287000 0.5238000       7.567000      0.4210000     -0.2792000      0.6721000
  1 1 1      -8  -16   13 o    5.937000      0.3819000       6.214000 0.5856000       5.660000      0.4905000      0.5539000      0.7639000
  1 1 1      -8  -16   14 f    4.009000      0.3256000       4.180000 0.4280000       3.839000      0.4908000      0.3407000      0.6512000
  1 1 1      -8  -16   15 o    2.753000      0.4724000       2.396000 0.7026000       3.109000      0.6315000     -0.7133000      0.9447000
  1 1 1      -8  -16   16 o    3.188000      0.5039000       2.654000 0.6353000       3.722000      0.7823000      -1.068000       1.008000
  1 1 1      -8  -16   17 o    9.629000      0.4063000       9.629000 0.4063000                  ?              ?              ?              ?
  1 1 1      -8  -16   18 o    7.961000      0.3264000       7.567000 0.4309000       8.355000      0.4905000     -0.7879000      0.6529000
  1 1 1      -8  -16   19 o    11.93000      0.3406000                  ?       ?   11.93000      0.3406000                  ?              ?
  1 1 1      -8  -16   20 o    16.54000      0.2736000       16.27000 0.3860000       16.81000      0.3879000     -0.5333000      0.5473000
  1 1 1      -8  -16   21 o    7.627000      0.2624000       7.601000 0.3624000       7.653000      0.3797000     -0.5202000E-01  0.5249000
  1 1 1      -8  -16   22 o    7.151000      0.2806000       6.611000 0.4057000       7.690000      0.3878000      -1.079000      0.5612000
  1 1 1      -8  -16   23 f    10.17000      0.2509000       9.912000 0.3510000       10.43000      0.3586000     -0.5162000      0.5017000
  1 1 1      -8  -16   24 o    3.420000      0.5219000       2.619000 0.8190000       4.222000      0.6471000      -1.603000       1.044000
  1 1 1      -8  -16   25 o    13.26000      0.2665000       12.73000 0.3703000       13.79000      0.3832000      -1.055000      0.5329000
  1 1 1      -8  -16   26 o    6.866000      0.3231000       6.498000 0.4665000       7.235000      0.4471000     -0.7367000      0.6462000
  1 1 1      -8  -16   27 o    3.411000      0.6015000       3.271000 0.8413000       3.551000      0.8599000     -0.2802000       1.203000
  1 1 1      -8  -16   28 o    5.790000      0.3840000       5.360000 0.5655000       6.221000      0.5198000     -0.8604000      0.7681000
  1 1 1      -8  -16   29 o    4.424000      0.5361000       3.356000 0.8756000       5.492000      0.6187000      -2.136000       1.072000
  1 1 1      -8  -16   30 o    2.497000      0.6628000       2.607000 0.9414000       2.387000      0.9332000      0.2204000       1.326000
  1 1 1      -8  -16   31 o    4.432000      0.5669000       4.813000 0.7514000       4.052000      0.8490000      0.7613000       1.134000
  1 1 1      -8  -16   32 o    3.749000      0.5988000       3.758000 0.8648000       3.740000      0.8284000      0.1859000E-01   1.198000
  1 1 1      -8  -16   33 o    3.099000      0.5847000       4.147000 0.7571000       2.050000      0.8913000       2.097000       1.169000
  1 1 1      -8  -16   34 o    2.152000      0.6841000       2.097000 0.9599000       2.208000      0.9749000     -0.1114000       1.368000
  1 1 1      -8  -15    1 o    12.78000      0.1978000       12.97000 0.2826000       12.59000      0.2769000      0.3737000      0.3956000
  1 1 1      -8  -15    2 o    6.087000      0.1673000       6.071000 0.2392000       6.102000      0.2340000     -0.3157000E-01  0.3346000
  1 1 1      -8  -15    3 o    12.09000      0.1964000       12.31000 0.2832000       11.87000      0.2720000      0.4341000      0.3927000
  1 1 1      -8  -15    4 o    11.61000      0.1941000       11.55000 0.2730000       11.67000      0.2759000     -0.1280000      0.3881000
  1 1 1      -8  -15    5 o    12.31000      0.2024000       12.21000 0.2873000       12.41000      0.2851000     -0.1989000      0.4048000
  1 1 1      -8  -15    6 o    9.485000      0.1880000       9.567000 0.2682000       9.404000      0.2636000      0.1629000      0.3760000
  1 1 1      -8  -15    7 o    10.00000      0.1909000       9.973000 0.2699000       10.03000      0.2701000     -0.5598000E-01  0.3818000
  1 1 1      -8  -15    8 f    9.880000      0.1962000       10.21000 0.2767000       9.549000      0.2781000      0.6615000      0.3923000
  1 1 1      -8  -15    9 o    3.744000      0.3031000       3.797000 0.4284000       3.691000      0.4289000      0.1065000      0.6062000
  1 1 1      -8  -15   10 o    18.04000      0.2706000       18.20000 0.3845000       17.88000      0.3810000      0.3213000      0.5413000
  1 1 1      -8  -15   11 o    9.805000      0.2076000       9.814000 0.2924000       9.795000      0.2947000      0.1901000E-01  0.4151000
  1 1 1      -8  -15   12 o    8.175000      0.2068000       8.022000 0.2906000       8.328000      0.2943000     -0.3057000      0.4136000
  1 1 1      -8  -15   13 o    3.271000      0.5323000       2.830000 0.9240000       3.711000      0.5289000     -0.8811000       1.065000
  1 1 1      -8  -15   14 o    4.628000      0.4629000       5.544000 0.6277000       3.713000      0.6804000       1.831000      0.9257000
  1 1 1      -8  -15   15 o    5.442000      0.4060000       5.520000 0.6211000       5.363000      0.5231000      0.1569000      0.8120000
  1 1 1      -8  -15   16 o    4.218000      0.3321000       4.135000 0.4668000       4.302000      0.4725000     -0.1675000      0.6642000
  1 1 1      -8  -15   17 o    2.004000      0.5053000       2.193000 0.7281000       1.815000      0.7008000      0.3782000       1.011000
  1 1 1      -8  -15   18 o    18.67000      0.4048000       18.74000 0.5654000       18.59000      0.5794000      0.1504000      0.8096000
  1 1 1      -8  -15   19 o    10.53000      0.3205000       10.46000 0.4224000       10.60000      0.4821000     -0.1399000      0.6410000
  1 1 1      -8  -15   20 o    12.54000      0.2497000       12.25000 0.3535000       12.84000      0.3529000     -0.5975000      0.4994000
  1 1 1      -8  -15   21 f    7.611000      0.2510000       7.340000 0.3587000       7.882000      0.3511000     -0.5426000      0.5019000
  1 1 1      -8  -15   22 o    3.281000      0.4982000       3.308000 0.6745000       3.255000      0.7334000      0.5283000E-01  0.9964000
  1 1 1      -8  -15   23 o    10.32000      0.2558000       10.05000 0.3577000       10.59000      0.3659000     -0.5428000      0.5117000
  1 1 1      -8  -15   24 o    12.44000      0.2576000       12.82000 0.3643000       12.06000      0.3643000      0.7654000      0.5152000
  1 1 1      -8  -15   25 o    7.417000      0.3034000       6.644000 0.4556000       8.190000      0.4007000      -1.546000      0.6067000
  1 1 1      -8  -15   26 o    3.235000      0.5876000       3.442000 0.8031000       3.028000      0.8581000      0.4140000       1.175000
  1 1 1      -8  -15   27 o    6.241000      0.3656000       5.437000 0.5568000       7.044000      0.4739000      -1.608000      0.7311000
  1 1 1      -8  -15   28 o    3.466000      0.6082000       3.694000 0.8197000       3.237000      0.8987000      0.4570000       1.216000
  1 1 1      -8  -15   29 f    6.475000      0.3855000       6.815000 0.5032000       6.134000      0.5841000      0.6816000      0.7709000
  1 1 1      -8  -15   30 o    8.598000      0.3250000       9.212000 0.4262000       7.984000      0.4908000       1.228000      0.6500000
  1 1 1      -8  -15   31 o    6.780000      0.3950000       7.047000 0.5306000       6.514000      0.5853000      0.5326000      0.7900000
  1 1 1      -8  -15   32 o    5.043000      0.4874000       4.962000 0.7132000       5.124000      0.6646000     -0.1624000      0.9749000
  1 1 1      -8  -15   33 o    4.297000      0.5497000       3.572000 0.8604000       5.023000      0.6844000      -1.451000       1.099000
  1 1 1      -8  -15   34 o    2.918000      0.7644000       2.273000 1.002000       3.562000       1.154000      -1.289000       1.529000
  1 1 1      -8  -14    1 o    15.48000      0.2267000       15.30000 0.3179000       15.66000      0.3233000     -0.3672000      0.4534000
  1 1 1      -8  -14    2 f    5.906000      0.1700000       5.876000 0.2433000       5.936000      0.2376000     -0.6054000E-01  0.3401000
  1 1 1      -8  -14    3 o    16.09000      0.2375000       15.89000 0.3333000       16.29000      0.3384000     -0.3940000      0.4749000
  1 1 1      -8  -14    4 o    7.585000      0.1706000       7.599000 0.2378000       7.570000      0.2448000      0.2880000E-01  0.3413000
  1 1 1      -8  -14    5 o    1.541000      0.3996000       1.330000 0.5424000       1.752000      0.5870000     -0.4219000      0.7992000
  1 1 1      -8  -14    6 o    11.55000      0.1981000       11.44000 0.2799000       11.66000      0.2804000     -0.2233000      0.3962000
  1 1 1      -8  -14    7 o    20.02000      0.2885000       20.19000 0.4108000       19.84000      0.4053000      0.3548000      0.5771000
  1 1 1      -8  -14    8 f    10.24000      0.1975000       10.14000 0.2818000       10.34000      0.2766000     -0.1962000      0.3949000
  1 1 1      -8  -14    9 o    5.486000      0.2255000       5.585000 0.3058000       5.388000      0.3316000      0.1968000      0.4511000
  1 1 1      -8  -14   10 o    6.988000      0.2055000       6.920000 0.2869000       7.057000      0.2944000     -0.1365000      0.4111000
  1 1 1      -8  -14   11 o    9.163000      0.2026000       9.253000 0.2852000       9.072000      0.2879000      0.1805000      0.4052000
  1 1 1      -8  -14   12 o    12.41000      0.2204000       12.43000 0.3108000       12.40000      0.3126000      0.2753000E-01  0.4408000
  1 1 1      -8  -14   13 o    5.393000      0.2589000       5.640000 0.3414000       5.145000      0.3892000      0.4951000      0.5177000
  1 1 1      -8  -14   14 o    3.918000      0.3313000       3.884000 0.4659000       3.951000      0.4712000     -0.6702000E-01  0.6626000
  1 1 1      -8  -14   15 o    3.079000      0.5637000       2.868000 0.8740000       3.289000      0.7122000     -0.4211000       1.127000
  1 1 1      -8  -14   16 o    3.357000      0.5675000       3.508000 0.8474000       3.205000      0.7552000      0.3024000       1.135000
  1 1 1      -8  -14   17 o    8.207000      0.2425000       8.161000 0.3396000       8.253000      0.3462000     -0.9232000E-01  0.4850000
  1 1 1      -8  -14   18 o    14.41000      0.2514000       14.87000 0.3602000       13.96000      0.3508000      0.9160000      0.5028000
  1 1 1      -8  -14   19 o    7.770000      0.3067000       7.366000 0.3301000       8.175000      0.5170000     -0.8086000      0.6134000
  1 1 1      -8  -14   20 o    9.986000      0.3304000       9.835000 0.4345000       10.14000      0.4977000     -0.3020000      0.6607000
  1 1 1      -8  -14   21 o    3.761000      0.4626000       4.033000 0.6049000       3.490000      0.7001000      0.5429000      0.9252000
  1 1 1      -8  -14   22 o    6.248000      0.2918000       6.107000 0.4209000       6.389000      0.4042000     -0.2817000      0.5836000
  1 1 1      -8  -14   23 o    9.307000      0.2563000       9.539000 0.3543000       9.076000      0.3706000      0.4632000      0.5127000
  1 1 1      -8  -14   24 o    9.772000      0.2620000       9.953000 0.3680000       9.592000      0.3731000      0.3614000      0.5240000
  1 1 1      -8  -14   25 o    8.219000      0.2805000       8.244000 0.3958000       8.195000      0.3976000      0.4861000E-01  0.5610000
  1 1 1      -8  -14   26 o    4.668000      0.4317000       4.221000 0.6545000       5.114000      0.5633000     -0.8936000      0.8635000
  1 1 1      -8  -14   27 o    11.57000      0.2764000       11.69000 0.3914000       11.46000      0.3902000      0.2303000      0.5527000
  1 1 1      -8  -14   28 o    5.965000      0.3686000       6.187000 0.5092000       5.743000      0.5330000      0.4439000      0.7371000
  1 1 1      -8  -14   29 o    5.434000      0.4228000       5.403000 0.5877000       5.465000      0.6080000     -0.6222000E-01  0.8456000
  1 1 1      -8  -14   30 o    10.30000      0.2967000       10.04000 0.4083000       10.57000      0.4306000     -0.5251000      0.5934000
  1 1 1      -8  -14   31 o    3.143000      0.6367000       3.816000 0.8633000       2.471000      0.9361000       1.345000       1.273000
  1 1 1      -8  -14   32 o    2.095000      0.6150000       1.993000 0.8517000       2.197000      0.8875000     -0.2037000       1.230000
  1 1 1      -8  -14   33 o    1.861000      0.5818000       1.951000 0.8500000       1.772000      0.7947000      0.1784000       1.164000
  1 1 1      -8  -14   34 o    4.642000      0.5071000       4.457000 0.7320000       4.826000      0.7021000     -0.3691000       1.014000
  1 1 1      -8  -14   35 o    2.821000      0.7389000       2.268000 1.008000       3.373000       1.080000      -1.105000       1.478000
  1 1 1      -8  -13    1 o    11.67000      0.1863000       11.75000 0.2656000       11.59000      0.2612000      0.1629000      0.3726000
  1 1 1      -8  -13    2 o    18.55000      0.2641000       18.55000 0.3736000       18.54000      0.3732000      0.1166000E-01  0.5281000
  1 1 1      -8  -13    3 o    13.64000      0.2109000       13.59000 0.2985000       13.70000      0.2981000     -0.1147000      0.4218000
  1 1 1      -8  -13    4 o    10.89000      0.1871000       11.04000 0.2661000       10.74000      0.2629000      0.3048000      0.3741000
  1 1 1      -8  -13    5 o    10.13000      0.1865000       9.963000 0.2616000       10.29000      0.2660000     -0.3297000      0.3731000
  1 1 1      -8  -13    6 o    19.23000      0.2777000       19.26000 0.3927000       19.20000      0.3929000      0.5670000E-01  0.5555000
  1 1 1      -8  -13    7 o    20.44000      0.2926000       20.64000 0.4168000       20.25000      0.4107000      0.3823000      0.5852000
  1 1 1      -8  -13    8 o    12.14000      0.2077000       12.00000 0.2906000       12.28000      0.2968000     -0.2779000      0.4153000
  1 1 1      -8  -13    9 o    4.161000      0.2704000       3.956000 0.3811000       4.366000      0.3835000     -0.4107000      0.5407000
  1 1 1      -8  -13   10 o    7.970000      0.2025000       7.614000 0.2868000       8.327000      0.2859000     -0.7137000      0.4049000
  1 1 1      -8  -13   11 o    13.36000      0.2253000       12.88000 0.3110000       13.85000      0.3260000     -0.9645000      0.4506000
  1 1 1      -8  -13   12 o    10.95000      0.2108000       11.20000 0.3026000       10.69000      0.2935000      0.5146000      0.4216000
  1 1 1      -8  -13   13 f    6.047000      0.2311000       6.442000 0.3144000       5.652000      0.3388000      0.7901000      0.4622000
  1 1 1      -8  -13   14 o    7.117000      0.2258000       7.386000 0.3140000       6.849000      0.3245000      0.5377000      0.4516000
  1 1 1      -8  -13   15 o    8.300000      0.2202000       8.289000 0.3066000       8.310000      0.3163000     -0.2039000E-01  0.4405000
  1 1 1      -8  -13   16 o    3.075000      0.4383000       2.498000 0.6651000       3.651000      0.5709000      -1.153000      0.8765000
  1 1 1      -8  -13   17 o    3.476000      0.6135000       3.039000 0.9637000       3.913000      0.7595000     -0.8742000       1.227000
  1 1 1      -8  -13   18 o    4.784000      0.3538000       4.692000 0.4389000       4.876000      0.5549000     -0.1834000      0.7075000
  1 1 1      -8  -13   19 o    15.30000      0.2620000       15.73000 0.3775000       14.88000      0.3635000      0.8535000      0.5241000
  1 1 1      -8  -13   20 o    9.309000      0.2692000       9.530000 0.4204000       9.088000      0.3365000      0.4412000      0.5385000
  1 1 1      -8  -13   21 o    5.591000      0.4131000       4.711000 0.6045000       6.472000      0.5633000      -1.761000      0.8263000
  1 1 1      -8  -13   22 o    10.27000      0.2472000       10.53000 0.3498000       10.00000      0.3494000      0.5241000      0.4944000
  1 1 1      -8  -13   23 o    5.428000      0.3314000       5.239000 0.4780000       5.617000      0.4591000     -0.3776000      0.6628000
  1 1 1      -8  -13   24 o    10.28000      0.2561000       10.21000 0.3636000       10.35000      0.3608000     -0.1414000      0.5122000
  1 1 1      -8  -13   25 o    7.115000      0.2933000       7.268000 0.4214000       6.962000      0.4080000      0.3065000      0.5865000
  1 1 1      -8  -13   26 o    4.207000      0.4457000       4.515000 0.5906000       3.899000      0.6677000      0.6163000      0.8914000
  1 1 1      -8  -13   27 o    4.015000      0.5197000       4.408000 0.6503000       3.622000      0.8109000      0.7865000       1.039000
  1 1 1      -8  -13   28 o    4.735000      0.4750000       5.423000 0.5584000       4.047000      0.7685000       1.376000      0.9500000
  1 1 1      -8  -13   29 o    3.899000      0.5623000       4.445000 0.6630000       3.354000      0.9083000       1.091000       1.125000
  1 1 1      -8  -13   30 o    3.846000      0.5894000       3.845000 0.7968000       3.847000      0.8689000     -0.2072000E-02   1.179000
  1 1 1      -8  -13   31 o    4.962000      0.4856000       4.905000 0.6731000       5.019000      0.7001000     -0.1144000      0.9712000
  1 1 1      -8  -13   32 o    4.565000      0.5195000       4.819000 0.6962000       4.311000      0.7712000      0.5079000       1.039000
  1 1 1      -8  -13   33 o    3.657000      0.6162000       3.960000 0.8491000       3.354000      0.8932000      0.6062000       1.232000
  1 1 1      -8  -13   34 o    4.189000      0.5582000       4.302000 0.7592000       4.076000      0.8185000      0.2259000       1.116000
  1 1 1      -8  -13   35 o    1.958000      0.5965000       1.854000 0.8221000       2.062000      0.8646000     -0.2084000       1.193000
  1 1 1      -8  -12    1 o    10.41000      0.1770000       10.36000 0.2529000       10.46000      0.2476000     -0.1017000      0.3539000
  1 1 1      -8  -12    2 o    15.92000      0.2339000       15.79000 0.3288000       16.05000      0.3327000     -0.2626000      0.4677000
  1 1 1      -8  -12    3 f    21.72000      0.3044000       21.52000 0.4274000       21.92000      0.4336000     -0.4005000      0.6088000
  1 1 1      -8  -12    4 o    11.58000      0.1919000       11.26000 0.2684000       11.89000      0.2745000     -0.6330000      0.3839000
  1 1 1      -8  -12    5 o    5.920000      0.1850000       5.993000 0.2600000       5.847000      0.2632000      0.1456000      0.3699000
  1 1 1      -8  -12    6 o    18.61000      0.2700000       18.46000 0.3799000       18.77000      0.3838000     -0.3121000      0.5400000
  1 1 1      -8  -12    7 o    7.880000      0.1844000       7.827000 0.2593000       7.933000      0.2624000     -0.1053000      0.3689000
  1 1 1      -8  -12    8 f    13.59000      0.2176000       13.48000 0.3058000       13.69000      0.3095000     -0.2049000      0.4351000
  1 1 1      -8  -12    9 o    9.527000      0.1935000       9.390000 0.2704000       9.664000      0.2769000     -0.2737000      0.3870000
  1 1 1      -8  -12   10 o    21.26000      0.3059000       21.26000 0.4328000       21.25000      0.4323000      0.4532000E-02  0.6117000
  1 1 1      -8  -12   11 o    10.44000      0.2030000       10.48000 0.2871000       10.40000      0.2871000      0.7250000E-01  0.4061000
  1 1 1      -8  -12   12 o    8.177000      0.2055000       8.257000 0.2892000       8.096000      0.2920000      0.1611000      0.4109000
  1 1 1      -8  -12   13 f    2.484000      0.4002000       3.268000 0.4812000       1.700000      0.6397000       1.568000      0.8005000
  1 1 1      -8  -12   14 o    7.268000      0.2240000       7.250000 0.3161000       7.285000      0.3174000     -0.3535000E-01  0.4479000
  1 1 1      -8  -12   15 o    4.224000      0.3262000       3.868000 0.4945000       4.581000      0.4254000     -0.7122000      0.6523000
  1 1 1      -8  -12   16 o    7.220000      0.2346000       7.255000 0.3283000       7.186000      0.3353000      0.6961000E-01  0.4692000
  1 1 1      -8  -12   17 f    4.550000      0.3142000       4.312000 0.4671000       4.787000      0.4202000     -0.4751000      0.6283000
  1 1 1      -8  -12   18 o    5.817000      0.6125000       5.817000 0.6125000                  ?              ?              ?              ?
  1 1 1      -8  -12   19 o    13.67000      0.3646000       13.92000 0.5390000       13.41000      0.4911000      0.5104000      0.7292000
  1 1 1      -8  -12   20 o    9.580000      0.3392000                  ?       ?   9.580000      0.3392000                  ?              ?
  1 1 1      -8  -12   21 o    4.923000      0.3965000       4.094000 0.5116000       5.753000      0.6060000      -1.659000      0.7930000
  1 1 1      -8  -12   22 o    4.730000      0.4970000       4.984000 0.5966000       4.476000      0.7952000      0.5081000      0.9941000
  1 1 1      -8  -12   23 o    8.963000      0.2565000       8.771000 0.3667000       9.156000      0.3587000     -0.3855000      0.5130000
  1 1 1      -8  -12   24 o    12.83000      0.2575000       13.24000 0.3680000       12.41000      0.3602000      0.8283000      0.5150000
  1 1 1      -8  -12   25 o    7.615000      0.2759000       7.644000 0.3843000       7.585000      0.3961000      0.5923000E-01  0.5519000
  1 1 1      -8  -12   26 o    8.555000      0.2730000       8.097000 0.3857000       9.013000      0.3865000     -0.9158000      0.5460000
  1 1 1      -8  -12   27 o    3.526000      0.5495000       3.480000 0.7923000       3.572000      0.7616000     -0.9154000E-01   1.099000
  1 1 1      -8  -12   28 o    6.177000      0.3655000       6.630000 0.4912000       5.723000      0.5415000      0.9070000      0.7311000
  1 1 1      -8  -12   29 o    5.034000      0.4232000       5.093000 0.5860000       4.976000      0.6108000      0.1165000      0.8464000
  1 1 1      -8  -12   30 o    10.10000      0.2959000       9.687000 0.4131000       10.52000      0.4237000     -0.8297000      0.5918000
  1 1 1      -8  -12   31 o    6.748000      0.3699000       6.719000 0.5037000       6.778000      0.5418000     -0.5934000E-01  0.7397000
  1 1 1      -8  -12   32 o    9.325000      0.3106000       9.578000 0.4326000       9.073000      0.4459000      0.5053000      0.6213000
  1 1 1      -8  -12   33 o    7.615000      0.3472000       7.780000 0.5024000       7.451000      0.4795000      0.3291000      0.6945000
  1 1 1      -8  -12   34 o    3.877000      0.5887000       3.981000 0.8433000       3.772000      0.8216000      0.2089000       1.177000
  1 1 1      -8  -12   35 f    2.888000      0.6655000       2.898000 0.9369000       2.878000      0.9454000      0.1980000E-01   1.331000
  1 1 1      -8  -12   36 o    2.364000       1.037000       2.364000 1.037000                  ?              ?              ?              ?
  1 1 1      -8  -11    1 o    11.28000      0.2561000       11.69000 0.3634000       10.87000      0.3610000      0.8288000      0.5122000
  1 1 1      -8  -11    2 o    10.61000      0.1798000       10.64000 0.2533000       10.58000      0.2553000      0.5812000E-01  0.3597000
  1 1 1      -8  -11    3 o    12.16000      0.1950000       12.09000 0.2742000       12.22000      0.2774000     -0.1246000      0.3900000
  1 1 1      -8  -11    4 f    17.99000      0.2601000       17.96000 0.3681000       18.01000      0.3676000     -0.5256000E-01  0.5202000
  1 1 1      -8  -11    5 o    18.07000      0.2622000       18.16000 0.3724000       17.98000      0.3692000      0.1798000      0.5244000
  1 1 1      -8  -11    6 o    19.48000      0.2803000       19.77000 0.4013000       19.20000      0.3913000      0.5688000      0.5605000
  1 1 1      -8  -11    7 o    21.96000      0.3108000       22.07000 0.4415000       21.85000      0.4375000      0.2203000      0.6216000
  1 1 1      -8  -11    8 o    14.89000      0.2311000       14.76000 0.3236000       15.03000      0.3300000     -0.2699000      0.4622000
  1 1 1      -8  -11    9 o    17.86000      0.2649000       17.67000 0.3712000       18.05000      0.3778000     -0.3709000      0.5297000
  1 1 1      -8  -11   10 o    10.65000      0.2022000       10.69000 0.2853000       10.61000      0.2866000      0.8463000E-01  0.4044000
  1 1 1      -8  -11   11 o    14.63000      0.2345000       14.71000 0.3332000       14.56000      0.3300000      0.1428000      0.4690000
  1 1 1      -8  -11   12 o    5.263000      0.2379000       5.566000 0.3249000       4.960000      0.3475000      0.6059000      0.4757000
  1 1 1      -8  -11   13 o    11.98000      0.2174000       11.97000 0.3065000       11.99000      0.3083000     -0.1318000E-01  0.4348000
  1 1 1      -8  -11   14 o    2.001000      0.4849000       1.943000 0.6770000       2.059000      0.6945000     -0.1167000      0.9698000
  1 1 1      -8  -11   15 o    10.62000      0.2171000       10.55000 0.3067000       10.68000      0.3074000     -0.1335000      0.4342000
  1 1 1      -8  -11   16 o    9.426000      0.2161000       9.540000 0.3046000       9.312000      0.3067000      0.2280000      0.4322000
  1 1 1      -8  -11   17 o    8.521000      0.2288000       8.681000 0.3208000       8.362000      0.3262000      0.3196000      0.4576000
  1 1 1      -8  -11   18 o    2.442000      0.4729000       3.260000 0.6056000       1.625000      0.7265000       1.635000      0.9458000
  1 1 1      -8  -11   19 o    10.92000      0.3466000       10.90000 0.5170000       10.93000      0.4617000     -0.2996000E-01  0.6931000
  1 1 1      -8  -11   20 o    2.316000      0.7748000                  ?       ?   2.316000      0.7748000                  ?              ?
  1 1 1      -8  -11   21 o    6.917000      0.2685000       6.837000 0.3895000       6.996000      0.3698000     -0.1589000      0.5371000
  1 1 1      -8  -11   22 f    4.743000      0.4623000       4.277000 0.6489000       5.209000      0.6586000     -0.9322000      0.9246000
  1 1 1      -8  -11   23 o    8.199000      0.3512000       7.961000 0.4669000       8.438000      0.5249000     -0.4776000      0.7025000
  1 1 1      -8  -11   24 o    7.855000      0.2714000       7.549000 0.3961000       8.161000      0.3712000     -0.6126000      0.5429000
  1 1 1      -8  -11   25 o    8.527000      0.2665000       8.631000 0.3727000       8.424000      0.3811000      0.2068000      0.5331000
  1 1 1      -8  -11   26 o    3.729000      0.5027000       3.882000 0.6829000       3.577000      0.7377000      0.3048000       1.005000
  1 1 1      -8  -11   27 f    8.068000      0.2860000       8.388000 0.3999000       7.749000      0.4089000      0.6385000      0.5719000
  1 1 1      -8  -11   28 o    4.022000      0.5212000       4.682000 0.6002000       3.362000      0.8524000       1.320000       1.042000
  1 1 1      -8  -11   29 o    2.054000      0.5977000       1.939000 0.8160000       2.170000      0.8737000     -0.2316000       1.195000
  1 1 1      -8  -11   30 o    8.940000      0.3032000       8.317000 0.4284000       9.562000      0.4292000      -1.245000      0.6064000
  1 1 1      -8  -11   31 o    3.441000      0.6081000       2.786000 0.9118000       4.095000      0.8048000      -1.308000       1.216000
  1 1 1      -8  -11   32 o    7.139000      0.4267000       6.576000 0.5581000       7.702000      0.6457000      -1.126000      0.8535000
  1 1 1      -8  -11   33 o    3.207000      0.6443000       3.051000 0.9334000       3.363000      0.8884000     -0.3117000       1.289000
  1 1 1      -8  -11   34 o    2.119000      0.6239000       2.251000 0.9200000       1.987000      0.8430000      0.2639000       1.248000
  1 1 1      -8  -11   35 o    4.676000      0.5268000       5.110000 0.6661000       4.242000      0.8163000      0.8685000       1.054000
  1 1 1      -8  -11   36 o    2.159000      0.6059000       1.950000 0.8232000       2.368000      0.8893000     -0.4180000       1.212000
  1 1 1      -8  -10    1 o    17.81000      0.3577000       17.95000 0.5072000       17.66000      0.5043000      0.2835000      0.7153000
  1 1 1      -8  -10    2 o    8.812000      0.2310000       8.546000 0.3135000       9.077000      0.3394000     -0.5307000      0.4620000
  1 1 1      -8  -10    3 o    9.697000      0.2429000       9.094000 0.3278000       10.30000      0.3585000      -1.205000      0.4858000
  1 1 1      -8  -10    4 o    9.341000      0.1747000       9.218000 0.2451000       9.465000      0.2490000     -0.2472000      0.3494000
  1 1 1      -8  -10    5 o    12.33000      0.1995000       12.44000 0.2839000       12.22000      0.2802000      0.2159000      0.3989000
  1 1 1      -8  -10    6 o    31.06000      0.4248000       30.78000 0.5957000       31.35000      0.6058000     -0.5695000      0.8496000
  1 1 1      -8  -10    7 o    13.73000      0.2172000       13.87000 0.3099000       13.59000      0.3044000      0.2790000      0.4344000
  1 1 1      -8  -10    8 o    7.966000      0.1872000       7.681000 0.2652000       8.251000      0.2644000     -0.5707000      0.3745000
  1 1 1      -8  -10    9 o    21.75000      0.3103000       21.85000 0.4402000       21.66000      0.4375000      0.1964000      0.6206000
  1 1 1      -8  -10   10 o    12.65000      0.2130000       12.33000 0.2958000       12.98000      0.3065000     -0.6583000      0.4260000
  1 1 1      -8  -10   11 o    17.26000      0.2597000       17.52000 0.3719000       16.99000      0.3627000      0.5293000      0.5195000
  1 1 1      -8  -10   12 o    10.17000      0.2038000       10.20000 0.2881000       10.15000      0.2882000      0.4798000E-01  0.4075000
  1 1 1      -8  -10   13 o    5.391000      0.2492000       5.244000 0.3545000       5.538000      0.3504000     -0.2940000      0.4984000
  1 1 1      -8  -10   14 o    9.186000      0.2116000       9.057000 0.2979000       9.315000      0.3005000     -0.2583000      0.4232000
  1 1 1      -8  -10   15 o    11.83000      0.2214000       11.95000 0.3136000       11.71000      0.3127000      0.2393000      0.4428000
  1 1 1      -8  -10   16 o    11.12000      0.2174000       11.09000 0.3071000       11.16000      0.3077000     -0.7396000E-01  0.4347000
  1 1 1      -8  -10   17 o    10.72000      0.2250000       10.67000 0.3162000       10.78000      0.3203000     -0.1074000      0.4501000
  1 1 1      -8  -10   18 o    2.094000      0.5037000       2.235000 0.7124000       1.953000      0.7124000      0.2822000       1.007000
  1 1 1      -8  -10   19 o    5.762000      0.4400000       6.286000 0.6374000       5.238000      0.6067000       1.048000      0.8800000
  1 1 1      -8  -10   20 o    8.971000      0.3592000       9.374000 0.5400000       8.569000      0.4738000      0.8049000      0.7183000
  1 1 1      -8  -10   21 o    9.263000      0.2446000       9.500000 0.3470000       9.026000      0.3446000      0.4738000      0.4891000
  1 1 1      -8  -10   22 o    3.538000      0.4660000       3.339000 0.6887000       3.737000      0.6280000     -0.3989000      0.9321000
  1 1 1      -8  -10   23 o    7.441000      0.3731000       7.500000 0.4761000       7.382000      0.5747000      0.1178000      0.7463000
  1 1 1      -8  -10   24 o    6.152000      0.3146000       6.179000 0.4467000       6.125000      0.4432000      0.5445000E-01  0.6292000
  1 1 1      -8  -10   25 o    10.73000      0.2570000       11.17000 0.3631000       10.28000      0.3638000      0.8984000      0.5140000
  1 1 1      -8  -10   26 o    4.810000      0.3831000       4.724000 0.5430000       4.896000      0.5406000     -0.1717000      0.7663000
  1 1 1      -8  -10   27 o    18.42000      0.3019000       18.19000 0.4240000       18.65000      0.4299000     -0.4673000      0.6038000
  1 1 1      -8  -10   28 o    6.798000      0.3210000       6.573000 0.4524000       7.023000      0.4556000     -0.4492000      0.6420000
  1 1 1      -8  -10   29 o    8.299000      0.3075000       8.037000 0.4328000       8.560000      0.4369000     -0.5230000      0.6150000
  1 1 1      -8  -10   30 o    9.320000      0.2945000       8.865000 0.4175000       9.775000      0.4154000     -0.9101000      0.5890000
  1 1 1      -8  -10   31 o    5.669000      0.4082000       5.500000 0.5675000       5.839000      0.5868000     -0.3391000      0.8163000
  1 1 1      -8  -10   32 o    3.346000      0.6298000       3.584000 0.8730000       3.109000      0.9080000      0.4751000       1.260000
  1 1 1      -8  -10   33 o    6.636000      0.3671000       6.575000 0.5252000       6.698000      0.5130000     -0.1226000      0.7342000
  1 1 1      -8  -10   34 o    3.868000      0.5641000       4.279000 0.7396000       3.458000      0.8521000      0.8212000       1.128000
  1 1 1      -8  -10   35 o    3.039000      0.6373000       3.315000 0.8844000       2.762000      0.9178000      0.5534000       1.275000
  1 1 1      -8  -10   36 o    3.350000      0.6062000       2.748000 0.9191000       3.951000      0.7906000      -1.203000       1.212000
  1 1 1      -8   -9    1 o    7.836000      0.1567000       7.842000 0.2203000       7.830000      0.2228000      0.1255000E-01  0.3133000
  1 1 1      -8   -9    2 o    26.02000      0.3573000       26.19000 0.5084000       25.85000      0.5023000      0.3417000      0.7147000
  1 1 1      -8   -9    3 o    14.39000      0.2142000       14.83000 0.3100000       13.95000      0.2956000      0.8807000      0.4283000
  1 1 1      -8   -9    4 o    17.92000      0.3645000       18.24000 0.5211000       17.60000      0.5096000      0.6387000      0.7289000
  1 1 1      -8   -9    5 o    8.609000      0.2419000       8.323000 0.3314000       8.895000      0.3526000     -0.5718000      0.4839000
  1 1 1      -8   -9    6 o    4.465000      0.2178000       4.203000 0.3159000       4.727000      0.2998000     -0.5247000      0.4355000
  1 1 1      -8   -9    7 o    27.24000      0.3773000       27.54000 0.5376000       26.94000      0.5296000      0.6009000      0.7546000
  1 1 1      -8   -9    8 o    16.47000      0.2473000       16.15000 0.3450000       16.80000      0.3545000     -0.6583000      0.4947000
  1 1 1      -8   -9    9 o    13.13000      0.2127000       13.04000 0.2989000       13.23000      0.3026000     -0.1920000      0.4253000
  1 1 1      -8   -9   10 o    15.56000      0.2397000       15.62000 0.3399000       15.50000      0.3380000      0.1270000      0.4794000
  1 1 1      -8   -9   11 o    11.72000      0.2075000       11.76000 0.2934000       11.67000      0.2936000      0.9250000E-01  0.4151000
  1 1 1      -8   -9   12 o    15.46000      0.2422000       15.61000 0.3444000       15.32000      0.3406000      0.2984000      0.4843000
  1 1 1      -8   -9   13 o    10.02000      0.2062000       10.09000 0.2891000       9.959000      0.2941000      0.1301000      0.4124000
  1 1 1      -8   -9   14 o    4.396000      0.2769000       4.423000 0.3914000       4.369000      0.3916000      0.5440000E-01  0.5537000
  1 1 1      -8   -9   15 o    13.59000      0.2318000       13.67000 0.3300000       13.51000      0.3255000      0.1692000      0.4636000
  1 1 1      -8   -9   16 o    15.64000      0.2516000       15.78000 0.3566000       15.51000      0.3552000      0.2698000      0.5033000
  1 1 1      -8   -9   17 o    9.380000      0.2242000       9.457000 0.3129000       9.302000      0.3211000      0.1541000      0.4483000
  1 1 1      -8   -9   18 o    5.796000      0.2625000       5.539000 0.3850000       6.052000      0.3570000     -0.5130000      0.5251000
  1 1 1      -8   -9   19 o    10.61000      0.2332000       10.78000 0.3300000       10.44000      0.3295000      0.3457000      0.4663000
  1 1 1      -8   -9   21 f    2.844000      0.6792000       3.189000 1.009000       2.500000      0.9093000      0.6895000       1.358000
  1 1 1      -8   -9   22 o    4.398000      0.3918000       4.990000 0.4826000       3.806000      0.6175000       1.183000      0.7837000
  1 1 1      -8   -9   23 f    5.781000      0.4336000       5.848000 0.5525000       5.713000      0.6684000      0.1359000      0.8672000
  1 1 1      -8   -9   24 o    6.147000      0.4166000       6.229000 0.5367000       6.065000      0.6373000      0.1642000      0.8332000
  1 1 1      -8   -9   25 o    12.05000      0.2519000       11.99000 0.3574000       12.12000      0.3552000     -0.1249000      0.5038000
  1 1 1      -8   -9   26 o    15.20000      0.2762000       15.16000 0.3901000       15.24000      0.3910000     -0.8341000E-01  0.5523000
  1 1 1      -8   -9   27 o    10.96000      0.2602000       11.11000 0.3657000       10.82000      0.3703000      0.2956000      0.5204000
  1 1 1      -8   -9   28 o    9.156000      0.2808000       9.394000 0.3854000       8.918000      0.4086000      0.4756000      0.5617000
  1 1 1      -8   -9   29 o    7.280000      0.3163000       7.004000 0.4440000       7.556000      0.4505000     -0.5516000      0.6325000
  1 1 1      -8   -9   30 o    8.899000      0.2993000       8.632000 0.4335000       9.166000      0.4127000     -0.5344000      0.5985000
  1 1 1      -8   -9   31 o    1.712000      0.5426000       1.273000 0.6265000       2.151000      0.8860000     -0.8782000       1.085000
  1 1 1      -8   -9   32 o    2.459000      0.6395000       2.424000 0.8983000       2.493000      0.9103000     -0.6929000E-01   1.279000
  1 1 1      -8   -9   33 o    2.857000      0.6314000       3.510000 0.8990000       2.203000      0.8867000       1.307000       1.263000
  1 1 1      -8   -9   34 o    2.505000      0.6448000       2.724000 0.9483000       2.286000      0.8739000      0.4373000       1.290000
  1 1 1      -8   -9   35 o    3.440000      0.6227000       3.436000 0.9036000       3.444000      0.8571000     -0.8180000E-02   1.245000
  1 1 1      -8   -9   36 o    2.201000      0.6225000       2.247000 0.8852000       2.155000      0.8755000      0.9218000E-01   1.245000
  1 1 1      -8   -8    1 o    14.41000      0.3006000       14.16000 0.4212000       14.65000      0.4290000     -0.4891000      0.6013000
  1 1 1      -8   -8    2 o    13.38000      0.2879000       13.28000 0.4084000       13.49000      0.4059000     -0.2168000      0.5758000
  1 1 1      -8   -8    3 o    17.54000      0.2516000       17.81000 0.3602000       17.26000      0.3515000      0.5567000      0.5033000
  1 1 1      -8   -8    4 o    13.62000      0.2089000       13.47000 0.2940000       13.78000      0.2969000     -0.3185000      0.4178000
  1 1 1      -8   -8    5 o    23.13000      0.4556000       23.37000 0.6492000       22.89000      0.6394000      0.4775000      0.9112000
  1 1 1      -8   -8    6 o    24.28000      0.4774000       24.42000 0.6772000       24.14000      0.6729000      0.2820000      0.9547000
  1 1 1      -8   -8    7 o    13.96000      0.2177000       13.89000 0.3068000       14.03000      0.3091000     -0.1473000      0.4355000
  1 1 1      -8   -8    8 o    10.06000      0.1875000       10.03000 0.2652000       10.09000      0.2652000     -0.5590000E-01  0.3750000
  1 1 1      -8   -8    9 o    26.87000      0.3731000       26.69000 0.5237000       27.06000      0.5316000     -0.3725000      0.7462000
  1 1 1      -8   -8   10 o    11.81000      0.2030000       11.97000 0.2881000       11.66000      0.2859000      0.3131000      0.4059000
  1 1 1      -8   -8   11 o    6.504000      0.1957000       6.485000 0.2825000       6.524000      0.2708000     -0.3898000E-01  0.3914000
  1 1 1      -8   -8   12 o    10.25000      0.1982000       10.25000 0.2813000       10.25000      0.2792000     -0.4208000E-02  0.3964000
  1 1 1      -8   -8   13 o    2.131000      0.4353000       2.561000 0.5956000       1.701000      0.6349000      0.8604000      0.8706000
  1 1 1      -8   -8   14 o    4.791000      0.2643000       4.736000 0.3760000       4.846000      0.3714000     -0.1094000      0.5286000
  1 1 1      -8   -8   15 o    3.391000      0.3772000       3.980000 0.4566000       2.802000      0.6006000       1.178000      0.7544000
  1 1 1      -8   -8   16 o    10.64000      0.2138000       10.81000 0.3038000       10.46000      0.3010000      0.3495000      0.4277000
  1 1 1      -8   -8   17 o    9.376000      0.2171000       9.205000 0.3023000       9.547000      0.3117000     -0.3425000      0.4342000
  1 1 1      -8   -8   18 o    4.140000      0.3388000       3.864000 0.4846000       4.415000      0.4737000     -0.5509000      0.6777000
  1 1 1      -8   -8   19 o    6.259000      0.3770000       6.259000 0.3770000                  ?              ?              ?              ?
  1 1 1      -8   -8   20 o    9.138000      0.3416000       8.647000 0.5145000       9.629000      0.4494000     -0.9823000      0.6831000
  1 1 1      -8   -8   21 o    11.28000      0.4661000                  ?       ?   11.28000      0.4661000                  ?              ?
  1 1 1      -8   -8   22 o    6.784000      0.2780000       6.910000 0.3840000       6.657000      0.4021000      0.2528000      0.5560000
  1 1 1      -8   -8   23 o    11.46000      0.2485000       11.64000 0.3532000       11.27000      0.3497000      0.3707000      0.4971000
  1 1 1      -8   -8   24 o    13.81000      0.3596000       13.64000 0.4903000       13.99000      0.5263000     -0.3534000      0.7193000
  1 1 1      -8   -8   25 o    5.976000      0.3119000       6.046000 0.4341000       5.906000      0.4480000      0.1395000      0.6238000
  1 1 1      -8   -8   26 o    22.55000      0.3426000       22.34000 0.4828000       22.76000      0.4863000     -0.4255000      0.6853000
  1 1 1      -8   -8   27 o    4.219000      0.4369000       4.312000 0.6153000       4.126000      0.6206000      0.1861000      0.8739000
  1 1 1      -8   -8   28 o    12.96000      0.2690000       12.59000 0.3779000       13.32000      0.3830000     -0.7278000      0.5381000
  1 1 1      -8   -8   29 o    5.812000      0.3712000       5.464000 0.5497000       6.159000      0.4990000     -0.6950000      0.7424000
  1 1 1      -8   -8   30 o    6.377000      0.3645000       6.212000 0.5219000       6.541000      0.5090000     -0.3296000      0.7290000
  1 1 1      -8   -8   31 o    3.453000      0.5942000       4.000000 0.7726000       2.907000      0.9030000       1.092000       1.188000
  1 1 1      -8   -8   32 f    2.857000      0.6423000       2.367000 0.9070000       3.348000      0.9096000     -0.9805000       1.285000
  1 1 1      -8   -8   33 o    1.688000      0.5474000       1.871000 0.8272000       1.504000      0.7172000      0.3672000       1.095000
  1 1 1      -8   -8   34 o    2.145000      0.6226000       2.418000 0.9256000       1.871000      0.8330000      0.5466000       1.245000
  1 1 1      -8   -8   35 o    5.001000      0.4737000       4.899000 0.6884000       5.102000      0.6509000     -0.2031000      0.9474000
  1 1 1      -8   -8   36 o    2.287000      0.6263000       2.379000 0.8912000       2.195000      0.8802000      0.1840000       1.253000
  1 1 1      -8   -7    1 o    6.578000      0.1823000       6.889000 0.2098000       6.267000      0.2983000      0.6214000      0.3647000
  1 1 1      -8   -7    2 o    15.45000      0.3181000       15.22000 0.4451000       15.68000      0.4545000     -0.4658000      0.6362000
  1 1 1      -8   -7    3 o    8.878000      0.2316000       9.284000 0.3358000       8.472000      0.3190000      0.8126000      0.4632000
  1 1 1      -8   -7    4 o    8.333000      0.1648000       8.233000 0.2327000       8.432000      0.2334000     -0.1986000      0.3296000
  1 1 1      -8   -7    5 o    25.77000      0.3558000       25.20000 0.4923000       26.34000      0.5140000      -1.143000      0.7117000
  1 1 1      -8   -7    6 o    18.01000      0.3672000       18.22000 0.5221000       17.79000      0.5166000      0.4358000      0.7345000
  1 1 1      -8   -7    7 o    16.49000      0.3436000       16.01000 0.4724000       16.97000      0.4991000     -0.9573000      0.6872000
  1 1 1      -8   -7    8 o    12.39000      0.2030000       12.14000 0.2850000       12.64000      0.2891000     -0.5014000      0.4060000
  1 1 1      -8   -7    9 o    11.59000      0.1981000       11.32000 0.2766000       11.85000      0.2837000     -0.5323000      0.3962000
  1 1 1      -8   -7   10 o    8.762000      0.1851000       8.773000 0.2604000       8.751000      0.2631000      0.2225000E-01  0.3702000
  1 1 1      -8   -7   11 f    8.867000      0.1887000       8.940000 0.2660000       8.794000      0.2677000      0.1464000      0.3774000
  1 1 1      -8   -7   12 o    14.67000      0.2325000       14.99000 0.3339000       14.35000      0.3236000      0.6474000      0.4650000
  1 1 1      -8   -7   13 o    17.90000      0.2686000       17.89000 0.3792000       17.91000      0.3804000     -0.1626000E-01  0.5371000
  1 1 1      -8   -7   14 o    9.727000      0.2039000       9.766000 0.2877000       9.688000      0.2891000      0.7794000E-01  0.4078000
  1 1 1      -8   -7   15 o    11.47000      0.2154000       11.81000 0.3092000       11.13000      0.3000000      0.6830000      0.4308000
  1 1 1      -8   -7   16 o    11.62000      0.2169000       11.38000 0.3031000       11.85000      0.3102000     -0.4735000      0.4337000
  1 1 1      -8   -7   17 o    3.170000      0.4138000       2.464000 0.6706000       3.876000      0.4851000      -1.412000      0.8277000
  1 1 1      -8   -7   18 o    7.116000      0.2412000       7.283000 0.3322000       6.949000      0.3497000      0.3344000      0.4823000
  1 1 1      -8   -7   19 o    4.389000      0.4674000       4.389000 0.4674000                  ?              ?              ?              ?
  1 1 1      -8   -7   20 o    7.921000      0.2438000       7.868000 0.3444000       7.975000      0.3452000     -0.1066000      0.4876000
  1 1 1      -8   -7   21 o    3.169000      0.8220000                  ?       ?   3.169000      0.8220000                  ?              ?
  1 1 1      -8   -7   22 o    5.580000      0.3153000       5.337000 0.4707000       5.822000      0.4195000     -0.4847000      0.6305000
  1 1 1      -8   -7   23 o    3.141000      0.5072000       3.310000 0.6877000       2.971000      0.7458000      0.3396000       1.014000
  1 1 1      -8   -7   24 o    6.999000      0.3876000       7.318000 0.4997000       6.680000      0.5927000      0.6381000      0.7752000
  1 1 1      -8   -7   25 o    6.053000      0.3241000       6.431000 0.4376000       5.675000      0.4783000      0.7563000      0.6483000
  1 1 1      -8   -7   26 o    14.26000      0.2677000       14.17000 0.3782000       14.36000      0.3789000     -0.1921000      0.5353000
  1 1 1      -8   -7   27 o    13.93000      0.2691000       13.93000 0.3806000       13.93000      0.3806000      0.3419000E-02  0.5382000
  1 1 1      -8   -7   28 o    4.311000      0.4465000       4.001000 0.6771000       4.621000      0.5821000     -0.6208000      0.8929000
  1 1 1      -8   -7   29 o    7.848000      0.3036000       7.979000 0.4177000       7.716000      0.4408000      0.2630000      0.6073000
  1 1 1      -8   -7   30 o    8.388000      0.2973000       8.033000 0.4245000       8.742000      0.4164000     -0.7093000      0.5946000
  1 1 1      -8   -7   31 o    5.567000      0.4046000       5.486000 0.5772000       5.648000      0.5670000     -0.1628000      0.8091000
  1 1 1      -8   -7   32 o    2.140000      0.6155000       1.828000 0.8052000       2.452000      0.9313000     -0.6248000       1.231000
  1 1 1      -8   -7   33 o    3.462000      0.6214000       3.845000 0.8256000       3.080000      0.9290000      0.7653000       1.243000
  1 1 1      -8   -7   34 o    1.987000      0.5992000       1.696000 0.7795000       2.278000      0.9101000     -0.5818000       1.198000
  1 1 1      -8   -7   35 o    4.453000      0.5425000       4.222000 0.8089000       4.684000      0.7230000     -0.4613000       1.085000
  1 1 1      -8   -7   36 o    2.892000      0.6370000       3.505000 0.9028000       2.279000      0.8988000       1.226000       1.274000
  1 1 1      -8   -7   37 o    3.352000      0.7361000       2.897000 1.065000       3.807000       1.016000     -0.9102000       1.472000
  1 1 1      -8   -6    1 o    3.008000      0.2445000       2.823000 0.4116000       3.193000      0.2642000     -0.3699000      0.4891000
  1 1 1      -8   -6    2 o    19.97000      0.2790000       20.19000 0.3984000       19.75000      0.3908000      0.4397000      0.5581000
  1 1 1      -8   -6    3 f    5.294000      0.2314000       5.151000 0.3440000       5.437000      0.3095000     -0.2864000      0.4628000
  1 1 1      -8   -6    4 o    18.84000      0.3779000       18.83000 0.5368000       18.85000      0.5321000     -0.1606000E-01  0.7558000
  1 1 1      -8   -6    5 o    30.81000      0.5195000       30.03000 0.5803000       31.60000      0.8619000      -1.572000       1.039000
  1 1 1      -8   -6    6 o    3.438000      0.2328000       3.602000 0.3115000       3.274000      0.3461000      0.3284000      0.4656000
  1 1 1      -8   -6    7 o    35.21000      0.6766000       35.99000 0.9760000       34.44000      0.9373000       1.547000       1.353000
  1 1 1      -8   -6    8 f    8.532000      0.2169000       8.733000 0.2496000       8.332000      0.3548000      0.4011000      0.4338000
  1 1 1      -8   -6    9 o    49.01000      0.6600000       49.08000 0.9347000       48.93000      0.9321000      0.1403000       1.320000
  1 1 1      -8   -6   10 o    23.18000      0.3272000       22.72000 0.4539000       23.65000      0.4713000     -0.9381000      0.6543000
  1 1 1      -8   -6   11 o    26.88000      0.3736000       26.90000 0.5288000       26.86000      0.5281000      0.4614000E-01  0.7473000
  1 1 1      -8   -6   12 o    6.681000      0.1969000       6.651000 0.2808000       6.712000      0.2760000     -0.6057000E-01  0.3938000
  1 1 1      -8   -6   13 o    14.09000      0.2288000       14.03000 0.3214000       14.15000      0.3256000     -0.1246000      0.4575000
  1 1 1      -8   -6   14 o    14.61000      0.2361000       14.62000 0.3322000       14.59000      0.3356000      0.3568000E-01  0.4722000
  1 1 1      -8   -6   15 o    8.880000      0.2066000       9.189000 0.2922000       8.572000      0.2920000      0.6166000      0.4131000
  1 1 1      -8   -6   16 o    16.32000      0.2572000       16.23000 0.3632000       16.42000      0.3643000     -0.1977000      0.5145000
  1 1 1      -8   -6   17 o    4.565000      0.2817000       4.442000 0.4081000       4.688000      0.3885000     -0.2458000      0.5634000
  1 1 1      -8   -6   18 o    6.236000      0.2551000       6.342000 0.3578000       6.131000      0.3638000      0.2104000      0.5102000
  1 1 1      -8   -6   19 o    8.254000      0.2323000       8.340000 0.3285000       8.168000      0.3285000      0.1715000      0.4645000
  1 1 1      -8   -6   20 o    10.43000      0.2310000       10.68000 0.3310000       10.17000      0.3223000      0.5120000      0.4620000
  1 1 1      -8   -6   21 o    3.344000      0.5733000       2.267000 0.9143000       4.421000      0.6919000      -2.155000       1.147000
  1 1 1      -8   -6   22 o    1.686000      0.5042000       1.576000 0.6945000       1.795000      0.7312000     -0.2182000       1.008000
  1 1 1      -8   -6   23 o    10.05000      0.2472000       10.64000 0.3520000       9.464000      0.3471000       1.178000      0.4944000
  1 1 1      -8   -6   24 o    1.853000      0.5727000       1.765000 0.7831000       1.942000      0.8360000     -0.1773000       1.145000
  1 1 1      -8   -6   25 o    13.86000      0.2617000       13.64000 0.3691000       14.08000      0.3710000     -0.4398000      0.5233000
  1 1 1      -8   -6   26 o    11.04000      0.2532000       11.17000 0.3617000       10.90000      0.3545000      0.2694000      0.5064000
  1 1 1      -8   -6   27 o    16.64000      0.2864000       16.58000 0.4064000       16.71000      0.4036000     -0.1348000      0.5728000
  1 1 1      -8   -6   28 o    3.897000      0.5036000       3.262000 0.8104000       4.533000      0.5980000      -1.271000       1.007000
  1 1 1      -8   -6   29 o    5.944000      0.3626000       6.234000 0.4870000       5.654000      0.5373000      0.5791000      0.7252000
  1 1 1      -8   -6   30 o    9.486000      0.2877000       9.613000 0.4035000       9.359000      0.4102000      0.2547000      0.5754000
  1 1 1      -8   -6   31 o    7.172000      0.3409000       7.034000 0.4825000       7.309000      0.4818000     -0.2747000      0.6819000
  1 1 1      -8   -6   32 o    6.204000      0.3900000       6.068000 0.5532000       6.341000      0.5498000     -0.2735000      0.7800000
  1 1 1      -8   -6   33 o    8.868000      0.3199000       8.497000 0.4739000       9.239000      0.4299000     -0.7421000      0.6398000
  1 1 1      -8   -6   34 o    2.952000      0.6243000       3.556000 0.8713000       2.348000      0.8942000       1.208000       1.249000
  1 1 1      -8   -6   35 o    3.679000      0.5980000       3.601000 0.8567000       3.757000      0.8347000     -0.1561000       1.196000
  1 1 1      -8   -6   36 o    5.236000      0.4532000       4.928000 0.6847000       5.545000      0.5939000     -0.6164000      0.9064000
  1 1 1      -8   -6   37 o    2.510000      0.7247000       2.301000 0.9985000       2.718000       1.051000     -0.4161000       1.449000
  1 1 1      -8   -5    1 o    18.03000      0.2534000       18.20000 0.3615000       17.86000      0.3553000      0.3378000      0.5069000
  1 1 1      -8   -5    2 o    21.53000      0.2982000       21.63000 0.4231000       21.44000      0.4203000      0.1819000      0.5964000
  1 1 1      -8   -5    3 o    3.330000      0.1940000       3.403000 0.2777000       3.258000      0.2711000      0.1449000      0.3881000
  1 1 1      -8   -5    4 f    18.45000      0.3707000       18.18000 0.5190000       18.72000      0.5295000     -0.5471000      0.7415000
  1 1 1      -8   -5    5 o    13.09000      0.2024000       12.94000 0.2841000       13.23000      0.2882000     -0.2906000      0.4047000
  1 1 1      -8   -5    6 o    14.23000      0.2639000       14.08000 0.3027000       14.38000      0.4323000     -0.3036000      0.5278000
  1 1 1      -8   -5    7 o    25.68000      0.5027000       25.70000 0.7100000       25.67000      0.7119000      0.3120000E-01   1.005000
  1 1 1      -8   -5    8 o    5.311000      0.2633000       5.117000 0.3769000       5.505000      0.3678000     -0.3876000      0.5266000
  1 1 1      -8   -5    9 o    37.71000      0.5117000       37.43000 0.7185000       37.99000      0.7287000     -0.5564000       1.023000
  1 1 1      -8   -5   10 o    15.71000      0.2396000       16.06000 0.3435000       15.36000      0.3341000      0.7085000      0.4792000
  1 1 1      -8   -5   11 o    4.384000      0.2341000       4.284000 0.3369000       4.483000      0.3253000     -0.1987000      0.4683000
  1 1 1      -8   -5   12 f    14.19000      0.2264000       14.10000 0.3194000       14.28000      0.3209000     -0.1852000      0.4528000
  1 1 1      -8   -5   13 o    7.763000      0.2414000       7.811000 0.2750000       7.715000      0.3969000      0.9567000E-01  0.4829000
  1 1 1      -8   -5   14 o    7.902000      0.2020000       7.633000 0.2861000       8.170000      0.2852000     -0.5368000      0.4040000
  1 1 1      -8   -5   15 o    13.72000      0.2292000       14.12000 0.3292000       13.32000      0.3189000      0.7996000      0.4583000
  1 1 1      -8   -5   16 o    11.72000      0.2180000       11.44000 0.3074000       12.00000      0.3092000     -0.5533000      0.4360000
  1 1 1      -8   -5   17 o    6.951000      0.2223000       6.901000 0.3127000       7.000000      0.3161000     -0.9880000E-01  0.4447000
  1 1 1      -8   -5   18 o    6.471000      0.2454000       6.523000 0.3480000       6.418000      0.3460000      0.1055000      0.4907000
  1 1 1      -8   -5   19 o    3.529000      0.3931000       3.283000 0.5870000       3.776000      0.5229000     -0.4921000      0.7862000
  1 1 1      -8   -5   20 o    7.492000      0.2418000       7.377000 0.3490000       7.607000      0.3348000     -0.2300000      0.4836000
  1 1 1      -8   -5   21 o    5.135000      0.4502000       5.607000 0.6376000       4.663000      0.6356000      0.9440000      0.9003000
  1 1 1      -8   -5   22 o    13.60000      0.2513000       13.44000 0.3540000       13.76000      0.3568000     -0.3167000      0.5026000
  1 1 1      -8   -5   23 o    8.096000      0.2536000       8.099000 0.3665000       8.094000      0.3507000      0.4761000E-02  0.5073000
  1 1 1      -8   -5   24 o    7.095000      0.3793000       6.630000 0.5356000       7.561000      0.5372000     -0.9300000      0.7586000
  1 1 1      -8   -5   25 o    8.548000      0.3261000       8.462000 0.3743000       8.633000      0.5342000     -0.1715000      0.6523000
  1 1 1      -8   -5   26 o    15.22000      0.2703000       15.13000 0.3813000       15.30000      0.3833000     -0.1647000      0.5406000
  1 1 1      -8   -5   27 o    17.13000      0.2896000       17.14000 0.4099000       17.13000      0.4093000      0.1208000E-01  0.5792000
  1 1 1      -8   -5   28 o    3.513000      0.5168000       3.347000 0.7503000       3.679000      0.7108000     -0.3320000       1.034000
  1 1 1      -8   -5   29 o    5.285000      0.3851000       5.221000 0.5432000       5.350000      0.5462000     -0.1293000      0.7703000
  1 1 1      -8   -5   30 o    9.164000      0.2864000       9.166000 0.4016000       9.162000      0.4084000      0.3878000E-02  0.5727000
  1 1 1      -8   -5   31 o    7.603000      0.3285000       7.646000 0.4533000       7.560000      0.4755000      0.8649000E-01  0.6570000
  1 1 1      -8   -5   32 o    8.750000      0.3195000       8.823000 0.4343000       8.678000      0.4687000      0.1451000      0.6390000
  1 1 1      -8   -5   33 o    6.815000      0.3705000       6.671000 0.5390000       6.960000      0.5085000     -0.2889000      0.7410000
  1 1 1      -8   -5   34 o    5.715000      0.4280000       6.619000 0.5343000       4.812000      0.6689000       1.807000      0.8561000
  1 1 1      -8   -5   35 o    5.135000      0.4559000       5.440000 0.6323000       4.830000      0.6569000      0.6102000      0.9117000
  1 1 1      -8   -5   36 f    4.204000      0.5450000       3.823000 0.8537000       4.586000      0.6777000     -0.7634000       1.090000
  1 1 1      -8   -5   37 o    3.836000      0.7228000       3.446000 1.073000       4.226000      0.9690000     -0.7805000       1.446000
  1 1 1      -8   -4    1 o    16.99000      0.2402000       17.10000 0.3420000       16.88000      0.3373000      0.2123000      0.4804000
  1 1 1      -8   -4    2 o    15.76000      0.2265000       15.64000 0.3184000       15.87000      0.3221000     -0.2249000      0.4530000
  1 1 1      -8   -4    3 o    9.785000      0.1640000       9.664000 0.2309000       9.906000      0.2330000     -0.2413000      0.3280000
  1 1 1      -8   -4    4 o    17.15000      0.3474000       17.11000 0.4921000       17.20000      0.4904000     -0.9042000E-01  0.6947000
  1 1 1      -8   -4    5 o    18.23000      0.3679000       18.26000 0.5235000       18.19000      0.5171000      0.7389000E-01  0.7358000
  1 1 1      -8   -4    6 o    24.01000      0.3331000       24.02000 0.4716000       24.00000      0.4706000      0.1773000E-01  0.6662000
  1 1 1      -8   -4    7 o    41.73000      0.7971000       41.65000 1.124000       41.81000       1.130000     -0.1556000       1.594000
  1 1 1      -8   -4    8 o    13.11000      0.2926000       13.30000 0.4149000       12.93000      0.4128000      0.3698000      0.5853000
  1 1 1      -8   -4    9 o    13.90000      0.2172000       14.00000 0.3080000       13.79000      0.3063000      0.2068000      0.4343000
  1 1 1      -8   -4   10 o    18.37000      0.2685000       18.68000 0.3849000       18.05000      0.3744000      0.6328000      0.5370000
  1 1 1      -8   -4   11 o    7.360000      0.1833000       7.180000 0.2567000       7.540000      0.2616000     -0.3604000      0.3666000
  1 1 1      -8   -4   12 o    8.288000      0.1888000       8.586000 0.2666000       7.990000      0.2673000      0.5964000      0.3775000
  1 1 1      -8   -4   13 o    8.534000      0.1896000       8.775000 0.2665000       8.294000      0.2697000      0.4809000      0.3792000
  1 1 1      -8   -4   14 o    5.210000      0.2288000       5.181000 0.3243000       5.239000      0.3230000     -0.5805000E-01  0.4577000
  1 1 1      -8   -4   15 o    11.88000      0.2141000       11.70000 0.3009000       12.06000      0.3045000     -0.3584000      0.4281000
  1 1 1      -8   -4   16 o    8.228000      0.2599000       8.319000 0.2925000       8.137000      0.4296000      0.1820000      0.5197000
  1 1 1      -8   -4   17 o    2.529000      0.4331000       2.008000 0.6766000       3.050000      0.5409000      -1.042000      0.8662000
  1 1 1      -8   -4   18 o    2.930000      0.4317000       3.131000 0.5854000       2.728000      0.6347000      0.4032000      0.8635000
  1 1 1      -8   -4   19 o    6.713000      0.2441000       6.986000 0.3408000       6.439000      0.3495000      0.5470000      0.4882000
  1 1 1      -8   -4   20 o    5.820000      0.3101000       5.908000 0.3828000       5.733000      0.4880000      0.1750000      0.6202000
  1 1 1      -8   -4   21 o    4.593000      0.4875000       4.244000 0.7595000       4.941000      0.6112000     -0.6973000      0.9749000
  1 1 1      -8   -4   22 o    14.15000      0.2534000       13.91000 0.3533000       14.39000      0.3632000     -0.4863000      0.5067000
  1 1 1      -8   -4   23 o    13.28000      0.2524000       13.26000 0.3601000       13.30000      0.3537000     -0.4352000E-01  0.5048000
  1 1 1      -8   -4   24 o    9.007000      0.3538000       8.668000 0.4919000       9.347000      0.5086000     -0.6796000      0.7076000
  1 1 1      -8   -4   25 o    11.51000      0.2526000       11.56000 0.3598000       11.46000      0.3545000      0.1064000      0.5051000
  1 1 1      -8   -4   26 o    2.286000      0.5736000       2.278000 0.8101000       2.293000      0.8124000     -0.1585000E-01   1.147000
  1 1 1      -8   -4   27 o    7.244000      0.2962000       7.529000 0.4079000       6.959000      0.4295000      0.5701000      0.5923000
  1 1 1      -8   -4   28 o    4.197000      0.4407000       4.300000 0.6118000       4.095000      0.6345000      0.2048000      0.8814000
  1 1 1      -8   -4   29 o    4.107000      0.4965000       3.990000 0.7216000       4.224000      0.6821000     -0.2337000      0.9929000
  1 1 1      -8   -4   30 o    3.398000      0.5934000       3.283000 0.8580000       3.514000      0.8198000     -0.2313000       1.187000
  1 1 1      -8   -4   31 f    8.533000      0.3025000       8.665000 0.4291000       8.400000      0.4265000      0.2655000      0.6050000
  1 1 1      -8   -4   32 o    6.311000      0.3828000       6.783000 0.4994000       5.838000      0.5805000      0.9443000      0.7657000
  1 1 1      -8   -4   33 o    3.597000      0.5821000       4.537000 0.7055000       2.657000      0.9260000       1.880000       1.164000
  1 1 1      -8   -4   34 o    5.118000      0.4475000       4.648000 0.7058000       5.588000      0.5505000     -0.9402000      0.8951000
  1 1 1      -8   -4   35 o    3.878000      0.5618000       3.579000 0.8657000       4.177000      0.7163000     -0.5980000       1.124000
  1 1 1      -8   -4   36 o    1.816000      0.5635000       2.066000 0.8590000       1.566000      0.7297000      0.4995000       1.127000
  1 1 1      -8   -4   37 o    5.416000      0.5938000       4.716000 0.9688000       6.117000      0.6870000      -1.401000       1.188000
  1 1 1      -8   -3    1 o    13.38000      0.1968000       13.34000 0.2776000       13.41000      0.2791000     -0.7249000E-01  0.3937000
  1 1 1      -8   -3    2 o    10.61000      0.1683000       10.71000 0.2393000       10.51000      0.2366000      0.2016000      0.3365000
  1 1 1      -8   -3    3 o    22.19000      0.3072000       22.14000 0.4338000       22.24000      0.4352000     -0.1025000      0.6145000
  1 1 1      -8   -3    4 o    3.200000      0.2858000       3.225000 0.4080000       3.175000      0.4004000      0.5061000E-01  0.5716000
  1 1 1      -8   -3    5 o    12.77000      0.2783000       13.09000 0.4031000       12.46000      0.3837000      0.6295000      0.5565000
  1 1 1      -8   -3    6 o    26.36000      0.3627000       26.53000 0.5163000       26.19000      0.5097000      0.3427000      0.7255000
  1 1 1      -8   -3    7 o    39.63000      0.7584000       40.62000 1.097000       38.64000       1.047000       1.980000       1.517000
  1 1 1      -8   -3    8 o    37.01000      0.7103000       36.37000 0.9878000       37.66000       1.021000      -1.282000       1.421000
  1 1 1      -8   -3    9 o    21.51000      0.3054000       20.85000 0.4210000       22.18000      0.4425000      -1.327000      0.6108000
  1 1 1      -8   -3   10 o    23.29000      0.3278000       23.73000 0.4712000       22.85000      0.4559000      0.8804000      0.6556000
  1 1 1      -8   -3   11 o    15.04000      0.2330000       14.77000 0.3251000       15.31000      0.3338000     -0.5321000      0.4659000
  1 1 1      -8   -3   12 o    2.689000      0.3579000       2.712000 0.4917000       2.665000      0.5203000      0.4774000E-01  0.7159000
  1 1 1      -8   -3   13 o    1.888000      0.4215000       1.545000 0.5920000       2.231000      0.6001000     -0.6852000      0.8430000
  1 1 1      -8   -3   14 o    1.861000      0.4416000       1.895000 0.6189000       1.826000      0.6302000      0.6849000E-01  0.8833000
  1 1 1      -8   -3   15 o    9.236000      0.2016000       9.352000 0.2808000       9.121000      0.2894000      0.2316000      0.4033000
  1 1 1      -8   -3   16 o    8.495000      0.2060000       8.690000 0.2946000       8.300000      0.2880000      0.3905000      0.4120000
  1 1 1      -8   -3   17 o    12.31000      0.2226000       11.95000 0.3119000       12.68000      0.3177000     -0.7244000      0.4452000
  1 1 1      -8   -3   18 o    9.260000      0.2170000       9.667000 0.3098000       8.854000      0.3041000      0.8128000      0.4341000
  1 1 1      -8   -3   19 o    10.25000      0.2253000       10.16000 0.3174000       10.33000      0.3197000     -0.1691000      0.4505000
  1 1 1      -8   -3   20 o    6.178000      0.3668000       6.178000 0.3668000                  ?              ?              ?              ?
  1 1 1      -8   -3   21 o    5.902000      0.3980000       5.116000 0.6399000       6.688000      0.4734000      -1.572000      0.7959000
  1 1 1      -8   -3   22 o    10.92000      0.3308000                  ?       ?   10.92000      0.3308000                  ?              ?
  1 1 1      -8   -3   23 o    9.101000      0.2472000       8.724000 0.3642000       9.478000      0.3343000     -0.7543000      0.4944000
  1 1 1      -8   -3   24 o    9.987000      0.3476000       10.24000 0.4833000       9.733000      0.4998000      0.5075000      0.6953000
  1 1 1      -8   -3   25 o    15.37000      0.2674000       15.26000 0.3788000       15.48000      0.3775000     -0.2234000      0.5348000
  1 1 1      -8   -3   26 o    9.494000      0.2526000       9.534000 0.3579000       9.455000      0.3564000      0.7929000E-01  0.5051000
  1 1 1      -8   -3   27 o    8.741000      0.2646000       8.719000 0.3783000       8.763000      0.3700000     -0.4351000E-01  0.5292000
  1 1 1      -8   -3   28 o    10.03000      0.2588000       9.876000 0.3688000       10.18000      0.3633000     -0.3040000      0.5177000
  1 1 1      -8   -3   29 o    2.183000      0.5394000       2.880000 0.8333000       1.486000      0.6852000       1.394000       1.079000
  1 1 1      -8   -3   30 o    10.00000      0.2754000       9.715000 0.3930000       10.29000      0.3860000     -0.5730000      0.5509000
  1 1 1      -8   -3   31 o    3.284000      0.5943000       3.785000 0.7961000       2.784000      0.8827000       1.002000       1.189000
  1 1 1      -8   -3   32 o    5.235000      0.4277000       5.201000 0.6008000       5.269000      0.6089000     -0.6807000E-01  0.8554000
  1 1 1      -8   -3   33 f    6.399000      0.3704000       6.711000 0.5169000       6.087000      0.5306000      0.6235000      0.7408000
  1 1 1      -8   -3   34 o    6.470000      0.3694000       6.561000 0.5357000       6.378000      0.5089000      0.1832000      0.7389000
  1 1 1      -8   -3   35 f    2.171000      0.6008000       1.875000 0.8187000       2.467000      0.8794000     -0.5914000       1.202000
  1 1 1      -8   -3   36 o    2.027000      0.5940000       1.777000 0.8037000       2.277000      0.8749000     -0.5000000       1.188000
  1 1 1      -8   -3   37 o    4.116000      0.6637000       3.267000 1.011000       4.965000      0.8602000      -1.698000       1.327000
  1 1 1      -8   -2    1 o    4.197000      0.1457000       4.208000 0.2093000       4.185000      0.2026000      0.2257000E-01  0.2913000
  1 1 1      -8   -2    2 o    8.008000      0.1470000       8.021000 0.2081000       7.995000      0.2076000      0.2658000E-01  0.2939000
  1 1 1      -8   -2    3 o    19.45000      0.2725000       19.45000 0.3855000       19.45000      0.3853000     -0.2871000E-02  0.5450000
  1 1 1      -8   -2    4 o    19.35000      0.3849000       19.40000 0.5462000       19.30000      0.5425000      0.9809000E-01  0.7698000
  1 1 1      -8   -2    5 o    11.09000      0.1793000       10.79000 0.2497000       11.38000      0.2573000     -0.5965000      0.3585000
  1 1 1      -8   -2    6 o    14.80000      0.2208000       14.94000 0.3143000       14.67000      0.3101000      0.2626000      0.4415000
  1 1 1      -8   -2    7 o    2.148000      0.4214000       2.522000 0.5560000       1.773000      0.6333000      0.7488000      0.8427000
  1 1 1      -8   -2    8 o    35.32000      0.6790000       34.37000 0.9349000       36.26000      0.9850000      -1.896000       1.358000
  1 1 1      -8   -2    9 o    13.26000      0.2991000       13.35000 0.4263000       13.16000      0.4197000      0.1959000      0.5982000
  1 1 1      -8   -2   10 o    3.399000      0.2609000       3.054000 0.3923000       3.745000      0.3442000     -0.6903000      0.5219000
  1 1 1      -8   -2   11 f    13.64000      0.2180000       13.35000 0.3035000       13.93000      0.3131000     -0.5712000      0.4360000
  1 1 1      -8   -2   12 o    9.294000      0.1876000       9.563000 0.2667000       9.024000      0.2640000      0.5393000      0.3753000
  1 1 1      -8   -2   13 o    4.367000      0.2397000       4.372000 0.3492000       4.361000      0.3284000      0.1074000E-01  0.4794000
  1 1 1      -8   -2   14 o    4.545000      0.2505000       4.373000 0.3645000       4.717000      0.3438000     -0.3436000      0.5010000
  1 1 1      -8   -2   15 o    7.986000      0.2033000       8.237000 0.2830000       7.734000      0.2918000      0.5028000      0.4065000
  1 1 1      -8   -2   16 o    4.097000      0.2898000       4.131000 0.4075000       4.064000      0.4121000      0.6672000E-01  0.5796000
  1 1 1      -8   -2   17 o    4.867000      0.2662000       4.821000 0.3814000       4.913000      0.3713000     -0.9162000E-01  0.5323000
  1 1 1      -8   -2   18 o    11.22000      0.2207000       11.00000 0.3132000       11.43000      0.3110000     -0.4326000      0.4414000
  1 1 1      -8   -2   19 o    11.67000      0.2295000       11.17000 0.3191000       12.17000      0.3298000      -1.002000      0.4589000
  1 1 1      -8   -2   20 o    8.872000      0.3308000       8.872000 0.3308000                  ?              ?              ?              ?
  1 1 1      -8   -2   21 o    8.692000      0.3272000       8.983000 0.4845000       8.401000      0.4401000      0.5821000      0.6545000
  1 1 1      -8   -2   22 o    11.86000      0.3359000                  ?       ?   11.86000      0.3359000                  ?              ?
  1 1 1      -8   -2   23 o    15.03000      0.2595000       14.77000 0.3680000       15.28000      0.3659000     -0.5064000      0.5189000
  1 1 1      -8   -2   24 o    7.931000      0.3709000       8.078000 0.5093000       7.783000      0.5395000      0.2958000      0.7419000
  1 1 1      -8   -2   25 o    7.609000      0.2596000       7.602000 0.3735000       7.615000      0.3608000     -0.1270000E-01  0.5193000
  1 1 1      -8   -2   26 o    7.808000      0.2712000       7.320000 0.3993000       8.296000      0.3671000     -0.9759000      0.5424000
  1 1 1      -8   -2   27 o    8.375000      0.2675000       8.272000 0.3862000       8.478000      0.3702000     -0.2056000      0.5350000
  1 1 1      -8   -2   28 o    11.78000      0.2570000       11.98000 0.3667000       11.59000      0.3601000      0.3946000      0.5139000
  1 1 1      -8   -2   29 o    2.240000      0.5857000       2.241000 0.8373000       2.239000      0.8192000      0.2137000E-02   1.171000
  1 1 1      -8   -2   30 o    6.434000      0.3381000       6.698000 0.4550000       6.170000      0.5002000      0.5286000      0.6762000
  1 1 1      -8   -2   31 o    7.819000      0.3077000       7.668000 0.4339000       7.969000      0.4365000     -0.3011000      0.6155000
  1 1 1      -8   -2   32 o    3.344000      0.5807000       3.396000 0.8202000       3.291000      0.8223000      0.1051000       1.161000
  1 1 1      -8   -2   33 o    9.448000      0.2910000       9.488000 0.4052000       9.408000      0.4177000      0.7951000E-01  0.5820000
  1 1 1      -8   -2   34 o    6.995000      0.3496000       6.858000 0.5269000       7.131000      0.4597000     -0.2732000      0.6992000
  1 1 1      -8   -2   35 o    2.175000      0.6055000       2.055000 0.8445000       2.295000      0.8678000     -0.2404000       1.211000
  1 1 1      -8   -2   36 o    4.162000      0.5001000       4.124000 0.7332000       4.200000      0.6805000     -0.7558000E-01   1.000000
  1 1 1      -8   -2   37 o    3.364000      0.6741000       4.536000 0.9695000       2.192000      0.9368000       2.344000       1.348000
  1 1 1      -8   -1    1 o    12.00000      0.1813000       11.91000 0.2550000       12.09000      0.2578000     -0.1821000      0.3626000
  1 1 1      -8   -1    2 o    21.98000      0.3044000       22.25000 0.4358000       21.71000      0.4251000      0.5384000      0.6088000
  1 1 1      -8   -1    3 o    25.87000      0.3548000       25.97000 0.5033000       25.78000      0.5002000      0.1825000      0.7095000
  1 1 1      -8   -1    4 o    26.89000      0.5209000       26.34000 0.7227000       27.43000      0.7505000      -1.098000       1.042000
  1 1 1      -8   -1    5 o    19.37000      0.2741000       19.45000 0.3894000       19.30000      0.3859000      0.1540000      0.5482000
  1 1 1      -8   -1    6 o    21.99000      0.3079000       22.61000 0.4466000       21.36000      0.4241000       1.252000      0.6159000
  1 1 1      -8   -1    8 o    3.638000      0.2161000       3.877000 0.2909000       3.398000      0.3198000      0.4783000      0.4323000
  1 1 1      -8   -1    9 o    10.36000      0.1844000       10.19000 0.2589000       10.54000      0.2627000     -0.3485000      0.3688000
  1 1 1      -8   -1   10 o    18.23000      0.2668000       17.94000 0.3716000       18.52000      0.3830000     -0.5776000      0.5336000
  1 1 1      -8   -1   11 o    34.27000      0.4686000       35.35000 0.6816000       33.18000      0.6433000       2.180000      0.9372000
  1 1 1      -8   -1   12 o    20.53000      0.2963000       20.22000 0.4137000       20.84000      0.4243000     -0.6199000      0.5926000
  1 1 1      -8   -1   13 o    2.904000      0.3608000       3.470000 0.4234000       2.339000      0.5844000       1.132000      0.7216000
  1 1 1      -8   -1   14 o    2.387000      0.3991000       2.402000 0.5593000       2.372000      0.5693000      0.3046000E-01  0.7981000
  1 1 1      -8   -1   15 o    8.230000      0.2008000       8.295000 0.2822000       8.165000      0.2858000      0.1303000      0.4017000
  1 1 1      -8   -1   16 o    3.683000      0.3271000       4.011000 0.4247000       3.354000      0.4976000      0.6564000      0.6541000
  1 1 1      -8   -1   17 o    4.797000      0.2627000       4.981000 0.3604000       4.612000      0.3824000      0.3688000      0.5255000
  1 1 1      -8   -1   18 o    3.346000      0.3725000       3.467000 0.5016000       3.225000      0.5508000      0.2421000      0.7450000
  1 1 1      -8   -1   19 o    9.269000      0.2232000       9.428000 0.3169000       9.110000      0.3143000      0.3176000      0.4464000
  1 1 1      -8   -1   20 o    4.259000      0.4350000       4.764000 0.6225000       3.753000      0.6078000       1.010000      0.8700000
  1 1 1      -8   -1   21 o    8.102000      0.3336000       8.145000 0.4955000       8.059000      0.4467000      0.8665000E-01  0.6671000
  1 1 1      -8   -1   22 o    9.415000      0.2319000       9.366000 0.3344000       9.465000      0.3214000     -0.9888000E-01  0.4638000
  1 1 1      -8   -1   23 o    8.746000      0.3614000       8.491000 0.5108000       9.002000      0.5114000     -0.5110000      0.7228000
  1 1 1      -8   -1   24 o    14.60000      0.3728000       14.13000 0.5227000       15.07000      0.5316000     -0.9413000      0.7455000
  1 1 1      -8   -1   25 o    4.838000      0.3484000       5.104000 0.4804000       4.572000      0.5048000      0.5314000      0.6968000
  1 1 1      -8   -1   26 o    4.437000      0.3790000       4.997000 0.4907000       3.876000      0.5777000       1.120000      0.7580000
  1 1 1      -8   -1   27 o    5.932000      0.3150000       5.816000 0.4626000       6.049000      0.4278000     -0.2330000      0.6301000
  1 1 1      -8   -1   28 o    8.458000      0.2779000       8.299000 0.4091000       8.618000      0.3762000     -0.3192000      0.5558000
  1 1 1      -8   -1   29 o    4.070000      0.4562000       4.700000 0.5655000       3.440000      0.7161000       1.260000      0.9124000
  1 1 1      -8   -1   30 o    9.333000      0.2752000       9.291000 0.3967000       9.376000      0.3816000     -0.8522000E-01  0.5504000
  1 1 1      -8   -1   31 o    5.717000      0.3769000       6.053000 0.5024000       5.381000      0.5619000      0.6725000      0.7537000
  1 1 1      -8   -1   32 o    4.505000      0.4801000       4.625000 0.6624000       4.384000      0.6951000      0.2408000      0.9602000
  1 1 1      -8   -1   33 o    3.982000      0.5470000       3.078000 0.8651000       4.886000      0.6697000      -1.808000       1.094000
  1 1 1      -8   -1   34 o    6.820000      0.3411000       7.172000 0.4719000       6.468000      0.4925000      0.7035000      0.6821000
  1 1 1      -8   -1   35 o    2.461000      0.5994000       3.193000 0.9175000       1.729000      0.7714000       1.464000       1.199000
  1 1 1      -8   -1   36 o    3.072000      0.6970000       2.173000 0.9433000       3.972000       1.027000      -1.799000       1.394000
  1 1 1      -8   -1   37 o    2.625000      0.6620000       2.600000 1.004000       2.650000      0.8631000     -0.4995000E-01   1.324000
  1 1 1      -8    0    1 o    27.96000      0.3803000       27.88000 0.5363000       28.04000      0.5394000     -0.1590000      0.7606000
  1 1 1      -8    0    2 o    8.932000      0.1547000       9.000000 0.2204000       8.863000      0.2171000      0.1372000      0.3094000
  1 1 1      -8    0    3 o    3.825000      0.2330000       4.162000 0.3266000       3.488000      0.3324000      0.6736000      0.4660000
  1 1 1      -8    0    4 o    9.623000      0.1652000       9.657000 0.2343000       9.589000      0.2328000      0.6767000E-01  0.3303000
  1 1 1      -8    0    5 o    19.68000      0.2779000       20.08000 0.4000000       19.28000      0.3860000      0.8014000      0.5559000
  1 1 1      -8    0    6 o    17.46000      0.3577000       17.45000 0.5056000       17.47000      0.5061000     -0.1144000E-01  0.7154000
  1 1 1      -8    0    7 f    21.14000      0.4223000       21.42000 0.6036000       20.85000      0.5909000      0.5650000      0.8447000
  1 1 1      -8    0    8 o    18.45000      0.2668000       18.83000 0.3837000       18.07000      0.3709000      0.7646000      0.5336000
  1 1 1      -8    0    9 o    10.80000      0.1890000       10.83000 0.2681000       10.77000      0.2664000      0.5797000E-01  0.3779000
  1 1 1      -8    0   10 o    23.33000      0.3283000       24.07000 0.4769000       22.60000      0.4514000       1.471000      0.6567000
  1 1 1      -8    0   11 o    9.965000      0.1853000       10.31000 0.2653000       9.621000      0.2587000      0.6880000      0.3706000
  1 1 1      -8    0   12 o    13.78000      0.2214000       13.55000 0.3099000       14.00000      0.3162000     -0.4543000      0.4428000
  1 1 1      -8    0   13 o    18.28000      0.2714000       18.35000 0.3855000       18.21000      0.3822000      0.1449000      0.5428000
  1 1 1      -8    0   14 o    16.65000      0.2560000       16.43000 0.3595000       16.87000      0.3646000     -0.4412000      0.5120000
  1 1 1      -8    0   15 o    5.043000      0.2362000       4.930000 0.3379000       5.156000      0.3301000     -0.2265000      0.4724000
  1 1 1      -8    0   16 o    15.08000      0.2433000       15.01000 0.3424000       15.15000      0.3457000     -0.1458000      0.4866000
  1 1 1      -8    0   17 o    13.79000      0.2340000       14.09000 0.3364000       13.48000      0.3255000      0.6054000      0.4681000
  1 1 1      -8    0   18 o    3.080000      0.3970000       3.387000 0.4914000       2.773000      0.6237000      0.6140000      0.7940000
  1 1 1      -8    0   19 o    13.69000      0.2405000       13.30000 0.3347000       14.08000      0.3455000     -0.7775000      0.4810000
  1 1 1      -8    0   20 o    3.899000      0.4911000       4.042000 0.6978000       3.756000      0.6911000      0.2859000      0.9821000
  1 1 1      -8    0   21 o    14.23000      0.3001000       14.42000 0.3548000       14.05000      0.4840000      0.3701000      0.6002000
  1 1 1      -8    0   22 o    2.587000      0.5083000       2.401000 0.7480000       2.773000      0.6885000     -0.3717000       1.017000
  1 1 1      -8    0   23 o    3.094000      0.6592000       2.668000 0.9374000       3.520000      0.9269000     -0.8523000       1.318000
  1 1 1      -8    0   24 o    5.745000      0.2968000       5.728000 0.4332000       5.762000      0.4059000     -0.3411000E-01  0.5936000
  1 1 1      -8    0   25 o    15.19000      0.2673000       15.25000 0.3785000       15.13000      0.3776000      0.1172000      0.5347000
  1 1 1      -8    0   26 o    11.25000      0.2514000       11.32000 0.3585000       11.18000      0.3524000      0.1395000      0.5027000
  1 1 1      -8    0   27 o    7.695000      0.2708000       7.553000 0.3955000       7.837000      0.3700000     -0.2841000      0.5416000
  1 1 1      -8    0   28 o    8.857000      0.2681000       9.011000 0.3865000       8.703000      0.3718000      0.3084000      0.5363000
  1 1 1      -8    0   29 o    6.154000      0.3264000       6.328000 0.4783000       5.979000      0.4442000      0.3486000      0.6528000
  1 1 1      -8    0   30 o    9.039000      0.2810000       9.002000 0.4106000       9.076000      0.3838000     -0.7415000E-01  0.5620000
  1 1 1      -8    0   31 o    1.720000      0.5362000       1.529000 0.7149000       1.910000      0.7994000     -0.3809000       1.072000
  1 1 1      -8    0   32 o    5.183000      0.4441000       5.803000 0.5553000       4.564000      0.6933000       1.239000      0.8883000
  1 1 1      -8    0   33 o    2.764000      0.6070000       3.288000 0.8679000       2.241000      0.8488000       1.047000       1.214000
  1 1 1      -8    0   34 o    4.088000      0.5385000       3.836000 0.8143000       4.341000      0.7047000     -0.5054000       1.077000
  1 1 1      -8    0   35 f    4.200000      0.4964000       4.271000 0.7200000       4.130000      0.6835000      0.1412000      0.9928000
  1 1 1      -8    0   36 o    2.917000      0.7360000       3.075000 1.070000       2.759000       1.010000      0.3151000       1.472000
  1 1 1      -8    0   37 o    2.265000      0.6094000       2.271000 0.8734000       2.259000      0.8500000      0.1264000E-01   1.219000
  1 1 1      -8    1    1 f    21.64000      0.3703000       21.15000 0.4147000       22.14000      0.6135000     -0.9876000      0.7405000
  1 1 1      -8    1    2 o    13.81000      0.2887000       14.17000 0.4178000       13.44000      0.3985000      0.7310000      0.5774000
  1 1 1      -8    1    3 o    30.31000      0.5832000       29.89000 0.8137000       30.74000      0.8356000     -0.8456000       1.166000
  1 1 1      -8    1    4 o    21.27000      0.2971000       21.48000 0.4240000       21.06000      0.4164000      0.4236000      0.5943000
  1 1 1      -8    1    5 o    25.92000      0.5059000       26.02000 0.7175000       25.81000      0.7133000      0.2179000       1.012000
  1 1 1      -8    1    6 o    18.84000      0.3818000       18.99000 0.5431000       18.68000      0.5367000      0.3157000      0.7635000
  1 1 1      -8    1    7 o    16.29000      0.2410000       16.54000 0.3436000       16.05000      0.3380000      0.4932000      0.4820000
  1 1 1      -8    1    8 o    11.35000      0.1905000       11.18000 0.2673000       11.51000      0.2716000     -0.3269000      0.3810000
  1 1 1      -8    1    9 o    16.94000      0.2503000       16.89000 0.3529000       16.99000      0.3550000     -0.1025000      0.5005000
  1 1 1      -8    1   10 o    16.59000      0.2480000       16.81000 0.3541000       16.38000      0.3473000      0.4287000      0.4960000
  1 1 1      -8    1   11 o    19.75000      0.2858000       20.32000 0.4137000       19.19000      0.3946000       1.127000      0.5717000
  1 1 1      -8    1   12 o    21.37000      0.3072000       21.61000 0.4383000       21.13000      0.4306000      0.4808000      0.6144000
  1 1 1      -8    1   13 o    8.046000      0.1897000       8.266000 0.2697000       7.826000      0.2668000      0.4403000      0.3794000
  1 1 1      -8    1   14 o    8.906000      0.1937000       8.376000 0.2722000       9.437000      0.2756000      -1.061000      0.3873000
  1 1 1      -8    1   15 o    1.385000      0.4128000       1.485000 0.6008000       1.286000      0.5664000      0.1988000      0.8257000
  1 1 1      -8    1   16 o    9.387000      0.2037000       9.386000 0.2894000       9.388000      0.2867000     -0.2174000E-02  0.4073000
  1 1 1      -8    1   17 o    6.251000      0.2267000       6.105000 0.3315000       6.396000      0.3094000     -0.2909000      0.4534000
  1 1 1      -8    1   18 o    8.104000      0.2165000       8.146000 0.3082000       8.062000      0.3042000      0.8399000E-01  0.4331000
  1 1 1      -8    1   19 o    12.58000      0.3279000       12.01000 0.4637000       13.14000      0.4638000      -1.129000      0.6559000
  1 1 1      -8    1   20 f    11.65000      0.3265000       11.76000 0.4734000       11.54000      0.4499000      0.2223000      0.6530000
  1 1 1      -8    1   21 o    18.99000      0.4180000       18.99000 0.4180000                  ?              ?              ?              ?
  1 1 1      -8    1   22 o    2.458000      0.5985000       1.899000 0.8165000       3.016000      0.8753000      -1.117000       1.197000
  1 1 1      -8    1   23 o    1.772000      0.7788000                  ?       ?   1.772000      0.7788000                  ?              ?
  1 1 1      -8    1   24 o    17.98000      0.2885000       18.56000 0.4170000       17.41000      0.3988000       1.148000      0.5770000
  1 1 1      -8    1   25 o    15.80000      0.2694000       15.20000 0.3753000       16.40000      0.3866000      -1.198000      0.5388000
  1 1 1      -8    1   26 o    6.820000      0.2696000       6.738000 0.3950000       6.901000      0.3670000     -0.1630000      0.5392000
  1 1 1      -8    1   27 o    5.305000      0.3237000       5.584000 0.4229000       5.026000      0.4901000      0.5578000      0.6473000
  1 1 1      -8    1   28 o    7.700000      0.2744000       8.025000 0.3913000       7.376000      0.3849000      0.6496000      0.5489000
  1 1 1      -8    1   29 o    4.546000      0.3986000       4.408000 0.6102000       4.684000      0.5132000     -0.2768000      0.7973000
  1 1 1      -8    1   30 o    5.812000      0.3549000       5.747000 0.5145000       5.877000      0.4890000     -0.1303000      0.7098000
  1 1 1      -8    1   31 o    4.354000      0.5889000       4.186000 0.9883000       4.523000      0.6409000     -0.3373000       1.178000
  1 1 1      -8    1   32 o    3.917000      0.5119000       4.144000 0.7333000       3.691000      0.7146000      0.4523000       1.024000
  1 1 1      -8    1   33 o    3.076000      0.6328000       3.284000 0.9200000       2.868000      0.8689000      0.4163000       1.266000
  1 1 1      -8    1   34 o    2.681000      0.6282000       2.271000 0.8999000       3.090000      0.8767000     -0.8189000       1.256000
  1 1 1      -8    1   35 o    4.125000      0.7240000       4.165000 1.057000       4.084000      0.9899000      0.8111000E-01   1.448000
  1 1 1      -8    1   36 o    1.841000      0.6026000       1.704000 0.8157000       1.979000      0.8873000     -0.2750000       1.205000
  1 1 1      -8    1   37 o    1.742000      0.5513000       1.764000 0.7948000       1.719000      0.7640000      0.4480000E-01   1.103000
  1 1 1      -8    2    1 o    20.52000      0.4052000       20.28000 0.5651000       20.76000      0.5807000     -0.4820000      0.8103000
  1 1 1      -8    2    2 o    13.49000      0.2878000       13.46000 0.4024000       13.52000      0.4114000     -0.5904000E-01  0.5755000
  1 1 1      -8    2    3 o    30.45000      0.4151000       30.81000 0.5929000       30.10000      0.5810000      0.7088000      0.8302000
  1 1 1      -8    2    4 o    9.444000      0.2374000       9.332000 0.3316000       9.556000      0.3399000     -0.2247000      0.4749000
  1 1 1      -8    2    5 o    19.96000      0.3999000       20.07000 0.5675000       19.84000      0.5636000      0.2354000      0.7998000
  1 1 1      -8    2    6 o    6.446000      0.1606000       6.462000 0.2260000       6.429000      0.2283000      0.3242000E-01  0.3212000
  1 1 1      -8    2    7 o    9.922000      0.1780000       10.06000 0.2521000       9.785000      0.2514000      0.2725000      0.3560000
  1 1 1      -8    2    8 o    14.93000      0.2278000       15.04000 0.3232000       14.82000      0.3210000      0.2160000      0.4555000
  1 1 1      -8    2    9 o    7.670000      0.1738000       7.660000 0.2458000       7.680000      0.2459000     -0.1981000E-01  0.3477000
  1 1 1      -8    2   10 o    22.52000      0.3190000       23.00000 0.4594000       22.03000      0.4427000      0.9664000      0.6380000
  1 1 1      -8    2   11 o    18.42000      0.2712000       18.22000 0.3804000       18.63000      0.3867000     -0.4088000      0.5424000
  1 1 1      -8    2   12 o    10.64000      0.1995000       10.51000 0.2800000       10.78000      0.2842000     -0.2635000      0.3989000
  1 1 1      -8    2   13 o    4.082000      0.2511000       4.059000 0.3534000       4.105000      0.3568000     -0.4607000E-01  0.5021000
  1 1 1      -8    2   14 o    8.963000      0.1969000       9.204000 0.2800000       8.722000      0.2770000      0.4826000      0.3938000
  1 1 1      -8    2   15 o    5.812000      0.2243000       6.292000 0.3007000       5.332000      0.3329000      0.9600000      0.4487000
  1 1 1      -8    2   16 o    6.203000      0.2201000       6.328000 0.3068000       6.078000      0.3156000      0.2507000      0.4401000
  1 1 1      -8    2   17 o    3.735000      0.3106000       4.018000 0.4024000       3.452000      0.4732000      0.5666000      0.6212000
  1 1 1      -8    2   18 o    11.42000      0.3076000       11.17000 0.4371000       11.67000      0.4330000     -0.4992000      0.6153000
  1 1 1      -8    2   19 o    10.85000      0.3048000       10.62000 0.4372000       11.07000      0.4247000     -0.4522000      0.6095000
  1 1 1      -8    2   20 o    9.595000      0.2218000       9.756000 0.3175000       9.434000      0.3097000      0.3222000      0.4435000
  1 1 1      -8    2   21 o    8.579000      0.3178000       8.579000 0.3178000                  ?              ?              ?              ?
  1 1 1      -8    2   22 o    2.328000      0.5799000       2.953000 0.8702000       1.702000      0.7667000       1.251000       1.160000
  1 1 1      -8    2   23 o    3.579000      0.5638000                  ?       ?   3.579000      0.5638000                  ?              ?
  1 1 1      -8    2   24 o    15.20000      0.2641000       15.20000 0.3764000       15.21000      0.3706000     -0.6254000E-02  0.5283000
  1 1 1      -8    2   25 o    7.651000      0.2673000       7.587000 0.3956000       7.716000      0.3595000     -0.1298000      0.5346000
  1 1 1      -8    2   26 o    3.998000      0.4007000       3.519000 0.6391000       4.476000      0.4835000     -0.9571000      0.8014000
  1 1 1      -8    2   27 o    2.297000      0.5216000       2.821000 0.7497000       1.772000      0.7254000       1.049000       1.043000
  1 1 1      -8    2   28 o    7.165000      0.2845000       7.294000 0.4024000       7.035000      0.4024000      0.2593000      0.5691000
  1 1 1      -8    2   29 o    5.751000      0.3347000       5.708000 0.4874000       5.794000      0.4589000     -0.8591000E-01  0.6695000
  1 1 1      -8    2   30 o    4.847000      0.3933000       4.861000 0.5691000       4.833000      0.5430000      0.2772000E-01  0.7866000
  1 1 1      -8    2   31 o    7.647000      0.3043000       7.551000 0.4443000       7.744000      0.4159000     -0.1934000      0.6086000
  1 1 1      -8    2   32 o    7.440000      0.3186000       7.511000 0.4457000       7.369000      0.4555000      0.1419000      0.6372000
  1 1 1      -8    2   33 o    4.704000      0.4709000       4.612000 0.7034000       4.796000      0.6264000     -0.1844000      0.9419000
  1 1 1      -8    2   34 o    5.931000      0.3855000       5.866000 0.5730000       5.996000      0.5157000     -0.1299000      0.7709000
  1 1 1      -8    2   35 o    3.497000      0.7025000       4.352000 1.024000       2.641000      0.9617000       1.711000       1.405000
  1 1 1      -8    2   36 o    2.913000      0.6136000       3.253000 0.8699000       2.572000      0.8655000      0.6808000       1.227000
  1 1 1      -8    3    1 o    7.675000      0.1569000       7.772000 0.2220000       7.579000      0.2217000      0.1924000      0.3137000
  1 1 1      -8    3    2 o    17.16000      0.2474000       17.19000 0.3496000       17.13000      0.3501000      0.6481000E-01  0.4948000
  1 1 1      -8    3    3 o    8.015000      0.2354000       7.769000 0.3377000       8.260000      0.3279000     -0.4914000      0.4707000
  1 1 1      -8    3    4 o    15.28000      0.3240000       14.60000 0.4454000       15.97000      0.4705000      -1.370000      0.6479000
  1 1 1      -8    3    5 o    13.63000      0.2131000       13.78000 0.3040000       13.48000      0.2987000      0.2982000      0.4262000
  1 1 1      -8    3    6 o    14.13000      0.2178000       14.40000 0.3089000       13.86000      0.3071000      0.5321000      0.4356000
  1 1 1      -8    3    7 o    7.411000      0.1738000       7.278000 0.2401000       7.544000      0.2512000     -0.2652000      0.3475000
  1 1 1      -8    3    8 o    14.07000      0.2205000       14.20000 0.3113000       13.94000      0.3124000      0.2624000      0.4411000
  1 1 1      -8    3    9 o    11.05000      0.1972000       10.95000 0.2747000       11.15000      0.2831000     -0.1944000      0.3944000
  1 1 1      -8    3   10 o    21.99000      0.3142000       22.24000 0.4468000       21.74000      0.4420000      0.5002000      0.6285000
  1 1 1      -8    3   11 o    6.400000      0.2492000       6.753000 0.2702000       6.048000      0.4188000      0.7055000      0.4984000
  1 1 1      -8    3   12 o    6.163000      0.2564000       6.377000 0.2735000       5.950000      0.4337000      0.4268000      0.5127000
  1 1 1      -8    3   13 f    6.701000      0.1957000       6.577000 0.2816000       6.825000      0.2717000     -0.2481000      0.3913000
  1 1 1      -8    3   14 o    8.057000      0.1949000       8.289000 0.2720000       7.824000      0.2792000      0.4657000      0.3897000
  1 1 1      -8    3   15 o    3.189000      0.3467000       3.479000 0.4472000       2.899000      0.5299000      0.5798000      0.6934000
  1 1 1      -8    3   16 f    9.224000      0.2058000       8.671000 0.2877000       9.777000      0.2944000      -1.106000      0.4117000
  1 1 1      -8    3   17 o    2.353000      0.4537000       2.527000 0.6379000       2.180000      0.6453000      0.3473000      0.9074000
  1 1 1      -8    3   18 o    3.324000      0.5033000       3.319000 0.7314000       3.329000      0.6915000     -0.1050000E-01   1.007000
  1 1 1      -8    3   19 o    8.934000      0.2193000       8.454000 0.3115000       9.413000      0.3087000     -0.9580000      0.4386000
  1 1 1      -8    3   20 o    2.279000      0.4616000       2.036000 0.6734000       2.522000      0.6315000     -0.4857000      0.9232000
  1 1 1      -8    3   21 o    2.796000      0.6272000       3.223000 0.8828000       2.370000      0.8913000      0.8522000       1.254000
  1 1 1      -8    3   22 o    4.493000      0.3395000       4.263000 0.5202000       4.723000      0.4365000     -0.4600000      0.6791000
  1 1 1      -8    3   23 o    1.899000      0.5052000       1.792000 0.7073000       2.005000      0.7216000     -0.2132000       1.010000
  1 1 1      -8    3   24 o    10.87000      0.2392000       11.16000 0.3472000       10.58000      0.3292000      0.5733000      0.4785000
  1 1 1      -8    3   25 o    21.94000      0.3312000       22.27000 0.4750000       21.61000      0.4618000      0.6651000      0.6624000
  1 1 1      -8    3   26 o    6.824000      0.3493000       6.579000 0.5976000       7.068000      0.3617000     -0.4894000      0.6985000
  1 1 1      -8    3   27 o    13.20000      0.2565000       13.60000 0.3663000       12.79000      0.3592000      0.8097000      0.5130000
  1 1 1      -8    3   28 o    11.63000      0.2528000       11.73000 0.3589000       11.52000      0.3560000      0.2179000      0.5055000
  1 1 1      -8    3   29 o    6.522000      0.3061000       6.526000 0.4408000       6.517000      0.4249000      0.9180000E-02  0.6123000
  1 1 1      -8    3   30 o    7.338000      0.3046000       7.292000 0.4410000       7.384000      0.4203000     -0.9179000E-01  0.6092000
  1 1 1      -8    3   31 o    8.768000      0.2945000       8.491000 0.4221000       9.046000      0.4107000     -0.5555000      0.5889000
  1 1 1      -8    3   32 o    11.88000      0.2802000       11.96000 0.3987000       11.81000      0.3937000      0.1511000      0.5604000
  1 1 1      -8    3   33 o    5.181000      0.4351000       5.959000 0.5439000       4.404000      0.6792000       1.555000      0.8701000
  1 1 1      -8    3   34 o    6.029000      0.4640000       6.032000 0.7007000       6.027000      0.6085000      0.4102000E-02  0.9280000
  1 1 1      -8    3   35 o    1.583000      0.5149000       1.490000 0.7044000       1.677000      0.7512000     -0.1870000       1.030000
  1 1 1      -8    3   36 o    3.346000      0.5887000       3.077000 0.8912000       3.615000      0.7695000     -0.5383000       1.177000
  1 1 1      -8    4    1 o    29.80000      0.4061000       29.58000 0.5704000       30.03000      0.5783000     -0.4554000      0.8123000
  1 1 1      -8    4    2 o    18.26000      0.3705000       18.34000 0.5285000       18.18000      0.5194000      0.1613000      0.7410000
  1 1 1      -8    4    3 o    13.18000      0.2912000       13.17000 0.4181000       13.18000      0.4055000     -0.1177000E-01  0.5824000
  1 1 1      -8    4    4 o    11.51000      0.1919000       11.53000 0.2730000       11.49000      0.2698000      0.3570000E-01  0.3839000
  1 1 1      -8    4    5 o    6.440000      0.1790000       6.340000 0.2560000       6.539000      0.2502000     -0.1994000      0.3579000
  1 1 1      -8    4    6 o    10.21000      0.1852000       10.33000 0.2645000       10.08000      0.2594000      0.2541000      0.3705000
  1 1 1      -8    4    7 o    17.71000      0.2616000       17.95000 0.3732000       17.48000      0.3666000      0.4705000      0.5232000
  1 1 1      -8    4    8 o    19.32000      0.3439000       19.60000 0.5643000       19.04000      0.3934000      0.5634000      0.6879000
  1 1 1      -8    4    9 o    7.874000      0.1852000       7.531000 0.2536000       8.217000      0.2700000     -0.6857000      0.3705000
  1 1 1      -8    4   10 o    4.352000      0.2428000       4.147000 0.3447000       4.557000      0.3421000     -0.4095000      0.4856000
  1 1 1      -8    4   11 o    17.06000      0.2594000       17.48000 0.3692000       16.64000      0.3644000      0.8400000      0.5188000
  1 1 1      -8    4   12 o    8.539000      0.1962000       8.600000 0.2691000       8.478000      0.2856000      0.1221000      0.3924000
  1 1 1      -8    4   13 o    17.54000      0.2672000       17.50000 0.3728000       17.58000      0.3829000     -0.8014000E-01  0.5344000
  1 1 1      -8    4   14 o    4.444000      0.2828000       4.980000 0.3353000       3.909000      0.4554000       1.071000      0.5656000
  1 1 1      -8    4   15 o    7.873000      0.2157000       8.002000 0.2864000       7.743000      0.3225000      0.2580000      0.4314000
  1 1 1      -8    4   16 o    11.26000      0.2213000       10.88000 0.2976000       11.64000      0.3277000     -0.7538000      0.4427000
  1 1 1      -8    4   17 o    7.201000      0.3290000       6.704000 0.4417000       7.699000      0.4876000     -0.9948000      0.6580000
  1 1 1      -8    4   18 o    6.304000      0.2567000       6.319000 0.3406000       6.290000      0.3842000      0.2938000E-01  0.5135000
  1 1 1      -8    4   19 o    4.874000      0.2950000       5.124000 0.3709000       4.624000      0.4588000      0.4998000      0.5900000
  1 1 1      -8    4   20 o    4.333000      0.4961000       4.091000 0.7007000       4.574000      0.7024000     -0.4832000      0.9922000
  1 1 1      -8    4   21 o    3.996000      0.4572000       4.163000 0.4970000       3.828000      0.7675000      0.3351000      0.9143000
  1 1 1      -8    4   22 o    4.560000      0.4342000       4.601000 0.4731000       4.519000      0.7282000      0.8211000E-01  0.8684000
  1 1 1      -8    4   23 o    9.676000      0.2376000       9.587000 0.3446000       9.766000      0.3272000     -0.1791000      0.4752000
  1 1 1      -8    4   24 f    3.690000      0.4294000       3.391000 0.6835000       3.990000      0.5199000     -0.5988000      0.8588000
  1 1 1      -8    4   25 o    6.370000      0.2780000       6.774000 0.4030000       5.967000      0.3830000      0.8068000      0.5560000
  1 1 1      -8    4   26 o    8.620000      0.2490000       8.342000 0.3625000       8.897000      0.3413000     -0.5548000      0.4979000
  1 1 1      -8    4   27 o    5.140000      0.3283000       5.133000 0.4734000       5.147000      0.4548000     -0.1421000E-01  0.6565000
  1 1 1      -8    4   28 o    14.06000      0.2662000       14.36000 0.3769000       13.76000      0.3760000      0.5962000      0.5324000
  1 1 1      -8    4   29 o    2.445000      0.5755000       2.565000 0.8210000       2.326000      0.8066000      0.2394000       1.151000
  1 1 1      -8    4   30 o    4.983000      0.3874000       4.942000 0.5667000       5.025000      0.5284000     -0.8268000E-01  0.7748000
  1 1 1      -8    4   31 o    3.236000      0.5688000       3.193000 0.8091000       3.279000      0.7997000     -0.8644000E-01   1.138000
  1 1 1      -8    4   32 o    5.372000      0.3799000       5.342000 0.5584000       5.401000      0.5154000     -0.5894000E-01  0.7599000
  1 1 1      -8    4   33 o    3.834000      0.6291000       3.781000 0.9441000       3.887000      0.8317000     -0.1060000       1.258000
  1 1 1      -8    4   34 o    3.419000      0.6499000       2.836000 1.026000       4.001000      0.7985000      -1.165000       1.300000
  1 1 1      -8    4   35 o    1.833000      0.5491000       1.633000 0.7490000       2.034000      0.8031000     -0.4007000       1.098000
  1 1 1      -8    5    1 o    11.52000      0.2647000       11.31000 0.3761000       11.72000      0.3725000     -0.4169000      0.5293000
  1 1 1      -8    5    2 o    25.62000      0.3536000       25.64000 0.5004000       25.61000      0.4998000      0.3169000E-01  0.7073000
  1 1 1      -8    5    3 f    11.12000      0.1870000       11.00000 0.2655000       11.23000      0.2633000     -0.2250000      0.3739000
  1 1 1      -8    5    4 o    10.18000      0.1832000       10.02000 0.2590000       10.35000      0.2592000     -0.3338000      0.3664000
  1 1 1      -8    5    5 o    10.88000      0.1893000       10.92000 0.2705000       10.84000      0.2648000      0.8206000E-01  0.3785000
  1 1 1      -8    5    6 o    34.27000      0.4674000       34.41000 0.6636000       34.13000      0.6584000      0.2797000      0.9348000
  1 1 1      -8    5    7 o    30.48000      0.4198000       30.35000 0.5916000       30.61000      0.5956000     -0.2613000      0.8395000
  1 1 1      -8    5    8 o    13.23000      0.2172000       13.22000 0.3067000       13.24000      0.3077000     -0.1722000E-01  0.4344000
  1 1 1      -8    5    9 o    3.861000      0.2607000       3.884000 0.3670000       3.838000      0.3704000      0.4625000E-01  0.5214000
  1 1 1      -8    5   10 o    6.855000      0.2019000       7.064000 0.2881000       6.646000      0.2830000      0.4178000      0.4038000
  1 1 1      -8    5   11 o    9.322000      0.2429000       9.687000 0.2654000       8.958000      0.4069000      0.7288000      0.4858000
  1 1 1      -8    5   12 o    7.748000      0.2008000       7.455000 0.2754000       8.041000      0.2922000     -0.5857000      0.4015000
  1 1 1      -8    5   13 o    8.948000      0.2054000       9.199000 0.2774000       8.697000      0.3029000      0.5028000      0.4108000
  1 1 1      -8    5   14 o    7.198000      0.2572000       6.772000 0.2872000       7.624000      0.4267000     -0.8516000      0.5144000
  1 1 1      -8    5   15 o    7.535000      0.2190000       7.991000 0.2839000       7.078000      0.3334000      0.9128000      0.4379000
  1 1 1      -8    5   16 o    3.049000      0.5530000       2.891000 0.7135000       3.206000      0.8452000     -0.3151000       1.106000
  1 1 1      -8    5   17 o    6.741000      0.2386000       6.428000 0.3176000       7.054000      0.3562000     -0.6266000      0.4773000
  1 1 1      -8    5   18 o    2.505000      0.4726000       2.032000 0.6831000       2.979000      0.6533000     -0.9468000      0.9452000
  1 1 1      -8    5   19 o    1.877000      0.5425000       1.780000 0.7402000       1.974000      0.7933000     -0.1944000       1.085000
  1 1 1      -8    5   20 o    6.487000      0.2767000       6.819000 0.3530000       6.156000      0.4263000      0.6628000      0.5535000
  1 1 1      -8    5   21 f    7.395000      0.2539000       7.137000 0.3584000       7.653000      0.3597000     -0.5159000      0.5078000
  1 1 1      -8    5   22 o    5.764000      0.2945000       5.609000 0.4094000       5.919000      0.4235000     -0.3094000      0.5890000
  1 1 1      -8    5   23 o    12.22000      0.2520000       12.15000 0.3456000       12.30000      0.3669000     -0.1503000      0.5041000
  1 1 1      -8    5   24 o    5.519000      0.3422000       5.276000 0.4937000       5.763000      0.4740000     -0.4865000      0.6844000
  1 1 1      -8    5   25 f    5.616000      0.3214000       5.594000 0.4246000       5.639000      0.4827000     -0.4566000E-01  0.6429000
  1 1 1      -8    5   26 o    14.23000      0.2717000       14.04000 0.3695000       14.42000      0.3985000     -0.3846000      0.5434000
  1 1 1      -8    5   27 o    1.664000      0.5181000       1.684000 0.7297000       1.643000      0.7359000      0.4026000E-01   1.036000
  1 1 1      -8    5   28 o    13.44000      0.2775000       13.30000 0.3767000       13.58000      0.4075000     -0.2838000      0.5550000
  1 1 1      -8    5   29 o    11.19000      0.2846000       11.30000 0.3812000       11.07000      0.4227000      0.2343000      0.5692000
  1 1 1      -8    5   30 o    7.014000      0.3443000       6.686000 0.4893000       7.342000      0.4844000     -0.6564000      0.6885000
  1 1 1      -8    5   31 o    6.016000      0.4014000       5.760000 0.5249000       6.273000      0.6075000     -0.5132000      0.8029000
  1 1 1      -8    5   32 o    2.320000      0.6180000       2.550000 0.8690000       2.090000      0.8790000      0.4598000       1.236000
  1 1 1      -8    5   33 o    2.630000      0.7574000       2.148000 0.9371000       3.112000       1.190000     -0.9643000       1.515000
  1 1 1      -8    5   34 o    3.478000      0.5976000       3.731000 0.8043000       3.225000      0.8840000      0.5055000       1.195000
  1 1 1      -8    5   35 o    2.240000      0.6882000       2.426000 1.018000       2.055000      0.9259000      0.3710000       1.376000
  1 1 1      -8    5   36 o    2.618000      0.7252000       2.331000 0.9922000       2.905000       1.058000     -0.5742000       1.450000
  1 1 1      -8    6    1 o    27.10000      0.3720000       27.09000 0.5266000       27.11000      0.5256000     -0.1908000E-01  0.7440000
  1 1 1      -8    6    2 f    11.47000      0.2355000       11.27000 0.3851000       11.68000      0.2711000     -0.4066000      0.4710000
  1 1 1      -8    6    3 o    14.03000      0.2150000       14.02000 0.3048000       14.03000      0.3032000     -0.6344000E-02  0.4299000
  1 1 1      -8    6    4 o    16.72000      0.2466000       16.72000 0.3488000       16.71000      0.3487000      0.9333000E-02  0.4932000
  1 1 1      -8    6    5 o    12.86000      0.2079000       12.86000 0.2957000       12.85000      0.2924000      0.1111000E-01  0.4158000
  1 1 1      -8    6    6 o    9.941000      0.1879000       10.04000 0.2667000       9.841000      0.2649000      0.2010000      0.3759000
  1 1 1      -8    6    7 o    28.04000      0.3888000       27.93000 0.5484000       28.16000      0.5512000     -0.2265000      0.7776000
  1 1 1      -8    6    8 o    9.414000      0.1921000       9.467000 0.2689000       9.361000      0.2745000      0.1068000      0.3842000
  1 1 1      -8    6    9 o    2.541000      0.3795000       2.467000 0.5388000       2.616000      0.5345000     -0.1490000      0.7589000
  1 1 1      -8    6   10 o    20.18000      0.2952000       20.01000 0.4142000       20.36000      0.4207000     -0.3488000      0.5904000
  1 1 1      -8    6   11 o    7.907000      0.2031000       8.158000 0.2859000       7.656000      0.2886000      0.5018000      0.4062000
  1 1 1      -8    6   12 f    6.176000      0.2270000       6.473000 0.3172000       5.878000      0.3249000      0.5954000      0.4541000
  1 1 1      -8    6   13 o    14.29000      0.2405000       13.82000 0.3345000       14.77000      0.3455000     -0.9490000      0.4809000
  1 1 1      -8    6   14 o    15.27000      0.3506000       15.35000 0.4831000       15.19000      0.5083000      0.1580000      0.7012000
  1 1 1      -8    6   15 o    1.897000      0.5457000       1.624000 0.7010000       2.171000      0.8366000     -0.5461000       1.091000
  1 1 1      -8    6   16 o    8.168000      0.2239000       8.098000 0.3047000       8.239000      0.3283000     -0.1414000      0.4478000
  1 1 1      -8    6   17 o    8.263000      0.2257000       8.185000 0.3081000       8.340000      0.3298000     -0.1555000      0.4513000
  1 1 1      -8    6   18 o    7.110000      0.3206000       6.839000 0.4520000       7.381000      0.4547000     -0.5427000      0.6411000
  1 1 1      -8    6   19 o    8.753000      0.2371000       9.167000 0.3065000       8.339000      0.3617000      0.8288000      0.4741000
  1 1 1      -8    6   20 o    8.874000      0.2389000       8.342000 0.3260000       9.406000      0.3492000      -1.064000      0.4777000
  1 1 1      -8    6   21 o    5.261000      0.3112000       4.856000 0.4403000       5.666000      0.4400000     -0.8104000      0.6224000
  1 1 1      -8    6   23 o    10.94000      0.2507000       10.62000 0.3465000       11.26000      0.3624000     -0.6331000      0.5014000
  1 1 1      -8    6   24 o    14.79000      0.3939000                  ?       ?   14.79000      0.3939000                  ?              ?
  1 1 1      -8    6   25 o    6.767000      0.2989000       6.435000 0.4218000       7.100000      0.4236000     -0.6653000      0.5978000
  1 1 1      -8    6   26 o    11.74000      0.2645000       11.65000 0.3571000       11.84000      0.3903000     -0.1862000      0.5290000
  1 1 1      -8    6   27 o    6.081000      0.3511000       6.487000 0.4254000       5.674000      0.5588000      0.8129000      0.7023000
  1 1 1      -8    6   28 o    5.991000      0.3538000       5.510000 0.4882000       6.472000      0.5123000     -0.9618000      0.7076000
  1 1 1      -8    6   29 o    11.47000      0.2905000       11.83000 0.3863000       11.11000      0.4339000      0.7211000      0.5809000
  1 1 1      -8    6   30 o    4.404000      0.4926000       4.490000 0.6240000       4.318000      0.7625000      0.1724000      0.9852000
  1 1 1      -8    6   31 o    2.025000      0.6010000       2.193000 0.8580000       1.857000      0.8416000      0.3368000       1.202000
  1 1 1      -8    6   32 o    4.389000      0.7418000       4.531000 0.8023000       4.248000       1.248000      0.2821000       1.484000
  1 1 1      -8    6   33 o    2.324000      0.6736000       1.993000 0.8069000       2.656000       1.079000     -0.6629000       1.347000
  1 1 1      -8    6   34 o    2.126000      0.5785000       2.574000 0.8622000       1.679000      0.7716000      0.8946000       1.157000
  1 1 1      -8    6   35 o    3.792000      0.7532000       3.523000 1.093000       4.060000       1.037000     -0.5370000       1.506000
  1 1 1      -8    7    1 o    9.411000      0.1691000       9.416000 0.2405000       9.406000      0.2377000      0.1021000E-01  0.3381000
  1 1 1      -8    7    2 o    30.65000      0.4183000       30.66000 0.5916000       30.63000      0.5914000      0.2466000E-01  0.8365000
  1 1 1      -8    7    3 o    20.31000      0.2883000       20.38000 0.4098000       20.24000      0.4056000      0.1380000      0.5766000
  1 1 1      -8    7    4 o    1.494000      0.3869000       1.306000 0.5404000       1.682000      0.5538000     -0.3757000      0.7737000
  1 1 1      -8    7    5 o    9.681000      0.1847000       9.619000 0.2626000       9.743000      0.2599000     -0.1236000      0.3694000
  1 1 1      -8    7    6 o    22.91000      0.3235000       22.93000 0.4583000       22.90000      0.4568000      0.2890000E-01  0.6470000
  1 1 1      -8    7    7 o    7.332000      0.1879000       7.622000 0.2616000       7.042000      0.2697000      0.5805000      0.3757000
  1 1 1      -8    7    8 o    9.907000      0.1923000       9.911000 0.2735000       9.903000      0.2705000      0.8000000E-02  0.3847000
  1 1 1      -8    7    9 o    6.555000      0.2009000       6.215000 0.2864000       6.895000      0.2819000     -0.6800000      0.4018000
  1 1 1      -8    7   10 o    22.82000      0.3273000       23.07000 0.4684000       22.57000      0.4573000      0.4920000      0.6546000
  1 1 1      -8    7   11 o    4.471000      0.2656000       4.394000 0.3751000       4.549000      0.3761000     -0.1542000      0.5311000
  1 1 1      -8    7   12 o    3.427000      0.3429000       3.508000 0.4594000       3.347000      0.5091000      0.1604000      0.6857000
  1 1 1      -8    7   13 o    1.918000      0.5275000       1.896000 0.7017000       1.940000      0.7877000     -0.4409000E-01   1.055000
  1 1 1      -8    7   14 o    4.701000      0.3939000       4.820000 0.5132000       4.582000      0.5977000      0.2386000      0.7878000
  1 1 1      -8    7   15 o    5.079000      0.2883000       4.628000 0.4252000       5.529000      0.3895000     -0.9005000      0.5766000
  1 1 1      -8    7   16 o    7.488000      0.2234000       7.497000 0.2892000       7.479000      0.3407000      0.1809000E-01  0.4469000
  1 1 1      -8    7   17 o    9.533000      0.3142000       9.212000 0.4335000       9.854000      0.4550000     -0.6415000      0.6284000
  1 1 1      -8    7   18 o    9.377000      0.2332000       9.163000 0.3167000       9.592000      0.3424000     -0.4285000      0.4664000
  1 1 1      -8    7   19 o    4.301000      0.3252000       4.100000 0.4314000       4.501000      0.4867000     -0.4006000      0.6504000
  1 1 1      -8    7   20 o    3.566000      0.3896000       3.196000 0.5405000       3.936000      0.5613000     -0.7399000      0.7792000
  1 1 1      -8    7   21 o    8.269000      0.2411000       8.111000 0.3273000       8.426000      0.3542000     -0.3154000      0.4823000
  1 1 1      -8    7   22 o    11.88000      0.3414000       11.88000 0.3414000                  ?              ?              ?              ?
  1 1 1      -8    7   23 o    8.688000      0.2580000       9.024000 0.3357000       8.352000      0.3918000      0.6716000      0.5159000
  1 1 1      -8    7   25 o    11.32000      0.2606000       11.47000 0.3553000       11.16000      0.3812000      0.3109000      0.5211000
  1 1 1      -8    7   26 o    6.425000      0.3166000       6.370000 0.4279000       6.479000      0.4667000     -0.1093000      0.6332000
  1 1 1      -8    7   27 f    3.454000      0.5343000       4.299000 0.5746000       2.609000      0.9011000       1.691000       1.069000
  1 1 1      -8    7   28 o    8.261000      0.2994000       7.966000 0.4031000       8.557000      0.4429000     -0.5904000      0.5988000
  1 1 1      -8    7   29 o    6.163000      0.3777000       6.042000 0.5043000       6.283000      0.5624000     -0.2406000      0.7554000
  1 1 1      -8    7   30 o    5.156000      0.4514000       5.878000 0.5057000       4.434000      0.7479000       1.445000      0.9028000
  1 1 1      -8    7   31 o    4.967000      0.6989000       5.711000 0.6584000       4.224000       1.233000       1.488000       1.398000
  1 1 1      -8    7   32 o    6.805000      0.3708000       6.466000 0.4920000       7.143000      0.5549000     -0.6765000      0.7416000
  1 1 1      -8    7   33 o    2.172000      0.6077000       1.898000 0.8070000       2.446000      0.9088000     -0.5476000       1.215000
  1 1 1      -8    7   34 o    3.339000      0.7506000       2.645000 1.063000       4.034000       1.060000      -1.388000       1.501000
  1 1 1      -8    7   35 o    3.677000      0.5566000       3.984000 0.7493000       3.369000      0.8232000      0.6150000       1.113000
  1 1 1      -8    8    1 o    5.155000      0.2046000       5.515000 0.3202000       4.794000      0.2547000      0.7211000      0.4092000
  1 1 1      -8    8    2 o    17.45000      0.2524000       17.54000 0.3587000       17.36000      0.3552000      0.1805000      0.5049000
  1 1 1      -8    8    3 o    7.331000      0.1698000       7.045000 0.2421000       7.617000      0.2383000     -0.5716000      0.3397000
  1 1 1      -8    8    4 o    12.54000      0.2035000       12.45000 0.2887000       12.64000      0.2869000     -0.1980000      0.4070000
  1 1 1      -8    8    5 o    12.81000      0.2081000       12.77000 0.2944000       12.85000      0.2942000     -0.7631000E-01  0.4162000
  1 1 1      -8    8    6 o    8.247000      0.1829000       7.994000 0.2618000       8.500000      0.2554000     -0.5051000      0.3658000
  1 1 1      -8    8    7 o    14.80000      0.2316000       14.92000 0.3294000       14.69000      0.3255000      0.2262000      0.4631000
  1 1 1      -8    8    8 o    12.18000      0.2103000       12.21000 0.3002000       12.16000      0.2946000      0.5640000E-01  0.4206000
  1 1 1      -8    8    9 o    7.682000      0.1983000       7.524000 0.2807000       7.840000      0.2802000     -0.3155000      0.3966000
  1 1 1      -8    8   10 o    8.434000      0.2015000       8.251000 0.2844000       8.617000      0.2855000     -0.3652000      0.4030000
  1 1 1      -8    8   11 o    10.94000      0.2107000       11.36000 0.3035000       10.52000      0.2925000      0.8365000      0.4215000
  1 1 1      -8    8   12 o    6.235000      0.3185000       6.231000 0.4210000       6.239000      0.4780000     -0.7915000E-02  0.6370000
  1 1 1      -8    8   13 o    3.792000      0.3429000       3.852000 0.4686000       3.731000      0.5007000      0.1204000      0.6858000
  1 1 1      -8    8   14 o    7.644000      0.2275000       7.381000 0.3309000       7.906000      0.3123000     -0.5252000      0.4550000
  1 1 1      -8    8   15 o    7.631000      0.3442000       7.207000 0.5375000       8.056000      0.4302000     -0.8487000      0.6885000
  1 1 1      -8    8   16 o    2.272000      0.5931000       2.251000 0.8919000       2.294000      0.7819000     -0.4346000E-01   1.186000
  1 1 1      -8    8   17 o    3.695000      0.4022000       4.037000 0.5143000       3.353000      0.6185000      0.6849000      0.8044000
  1 1 1      -8    8   18 f    3.075000      0.5186000       3.105000 0.7754000       3.046000      0.6888000      0.5903000E-01   1.037000
  1 1 1      -8    8   19 o    1.967000      0.4808000       1.531000 0.6392000       2.402000      0.7184000     -0.8713000      0.9616000
  1 1 1      -8    8   20 o    9.019000      0.2376000       9.563000 0.3198000       8.475000      0.3516000       1.087000      0.4753000
  1 1 1      -8    8   21 o    9.185000      0.2420000       9.338000 0.3199000       9.032000      0.3631000      0.3055000      0.4839000
  1 1 1      -8    8   22 o    16.92000      0.2820000       16.68000 0.3867000       17.17000      0.4106000     -0.4963000      0.5640000
  1 1 1      -8    8   23 f    12.96000      0.2545000       13.27000 0.3514000       12.65000      0.3682000      0.6201000      0.5090000
  1 1 1      -8    8   24 o    3.684000      0.4713000       3.693000 0.6315000       3.676000      0.6998000      0.1679000E-01  0.9426000
  1 1 1      -8    8   25 o    3.403000      0.5409000       3.281000 0.7404000       3.525000      0.7887000     -0.2440000       1.082000
  1 1 1      -8    8   26 o    6.505000      0.3182000       6.745000 0.4155000       6.264000      0.4819000      0.4805000      0.6363000
  1 1 1      -8    8   27 o    3.312000      0.5619000       3.293000 0.7607000       3.331000      0.8272000     -0.3829000E-01   1.124000
  1 1 1      -8    8   28 o    8.685000      0.2958000       7.996000 0.3981000       9.373000      0.4376000      -1.378000      0.5915000
  1 1 1      -8    8   29 o    1.915000      0.5666000       1.485000 0.6995000       2.345000      0.8915000     -0.8598000       1.133000
  1 1 1      -8    8   30 o    6.789000      0.4932000       6.289000 0.6187000       7.289000      0.7682000     -0.9996000      0.9863000
  1 1 1      -8    8   31 f    4.178000      0.5467000       4.061000 0.7008000       4.294000      0.8393000     -0.2329000       1.093000
  1 1 1      -8    8   32 o    2.040000      0.6040000       1.988000 0.8239000       2.092000      0.8833000     -0.1042000       1.208000
  1 1 1      -8    8   33 o    4.094000      0.7352000       4.961000 0.9527000       3.226000       1.120000       1.735000       1.470000
  1 1 1      -8    8   34 o    5.177000      0.4239000       5.492000 0.5646000       4.861000      0.6324000      0.6304000      0.8477000
  1 1 1      -8    8   35 o    2.945000      0.6111000       3.460000 0.8332000       2.430000      0.8941000       1.031000       1.222000
  1 1 1      -8    9    1 o    6.374000      0.1646000       6.324000 0.2348000       6.424000      0.2307000     -0.1005000      0.3292000
  1 1 1      -8    9    2 o    12.01000      0.1933000       12.06000 0.2747000       11.95000      0.2720000      0.1124000      0.3866000
  1 1 1      -8    9    3 o    4.257000      0.2162000       4.034000 0.3209000       4.481000      0.2898000     -0.4470000      0.4324000
  1 1 1      -8    9    4 o    2.368000      0.3529000       2.405000 0.4963000       2.332000      0.5018000      0.7259000E-01  0.7058000
  1 1 1      -8    9    5 o    5.077000      0.2075000       5.032000 0.2947000       5.123000      0.2921000     -0.9164000E-01  0.4150000
  1 1 1      -8    9    6 o    7.822000      0.1845000       7.863000 0.2608000       7.780000      0.2610000      0.8291000E-01  0.3690000
  1 1 1      -8    9    7 o    8.024000      0.1917000       8.058000 0.2730000       7.990000      0.2692000      0.6837000E-01  0.3834000
  1 1 1      -8    9    8 o    13.11000      0.2191000       13.11000 0.3114000       13.11000      0.3084000      0.6962000E-03  0.4382000
  1 1 1      -8    9    9 o    3.103000      0.3511000       3.146000 0.5000000       3.059000      0.4931000      0.8698000E-01  0.7023000
  1 1 1      -8    9   10 o    10.87000      0.2878000       11.07000 0.3974000       10.68000      0.4164000      0.3823000      0.5756000
  1 1 1      -8    9   11 o    3.388000      0.4636000       3.749000 0.5761000       3.027000      0.7264000      0.7215000      0.9271000
  1 1 1      -8    9   12 o    5.270000      0.2493000       5.309000 0.3651000       5.230000      0.3395000      0.7810000E-01  0.4985000
  1 1 1      -8    9   13 o    5.443000      0.2598000       5.703000 0.3524000       5.184000      0.3818000      0.5196000      0.5196000
  1 1 1      -8    9   14 o    8.285000      0.3378000       7.579000 0.5192000       8.990000      0.4323000      -1.411000      0.6757000
  1 1 1      -8    9   15 o    6.688000      0.2497000       7.038000 0.3491000       6.338000      0.3572000      0.6994000      0.4995000
  1 1 1      -8    9   16 o    4.467000      0.3300000       4.733000 0.4524000       4.202000      0.4806000      0.5307000      0.6601000
  1 1 1      -8    9   17 o    12.97000      0.2449000       12.64000 0.3433000       13.29000      0.3493000     -0.6450000      0.4898000
  1 1 1      -8    9   18 o    6.074000      0.2766000       5.684000 0.4001000       6.463000      0.3821000     -0.7796000      0.5533000
  1 1 1      -8    9   19 o    5.387000      0.3097000       5.371000 0.4391000       5.403000      0.4368000     -0.3121000E-01  0.6193000
  1 1 1      -8    9   20 o    12.44000      0.2908000       12.90000 0.4649000       11.98000      0.3493000      0.9112000      0.5815000
  1 1 1      -8    9   21 o    8.712000      0.2438000       9.026000 0.3240000       8.398000      0.3643000      0.6278000      0.4876000
  1 1 1      -8    9   22 o    10.57000      0.2467000       10.55000 0.3289000       10.58000      0.3677000     -0.3793000E-01  0.4933000
  1 1 1      -8    9   23 o    8.695000      0.2572000       8.762000 0.3400000       8.629000      0.3862000      0.1335000      0.5145000
  1 1 1      -8    9   24 o    5.432000      0.3401000       5.380000 0.4440000       5.484000      0.5154000     -0.1041000      0.6802000
  1 1 1      -8    9   25 o    11.77000      0.2668000       11.79000 0.3599000       11.74000      0.3938000      0.4563000E-01  0.5335000
  1 1 1      -8    9   26 o    7.802000      0.3059000       7.779000 0.4081000       7.825000      0.4557000     -0.4540000E-01  0.6118000
  1 1 1      -8    9   27 o    6.434000      0.3495000       7.102000 0.4134000       5.766000      0.5636000       1.336000      0.6990000
  1 1 1      -8    9   28 o    1.889000      0.5749000       1.638000 0.7475000       2.140000      0.8737000     -0.5019000       1.150000
  1 1 1      -8    9   29 o    4.590000      0.6803000       4.041000 0.9412000       5.139000      0.9826000      -1.098000       1.361000
  1 1 1      -8    9   30 o    4.615000      0.4970000       4.727000 0.6067000       4.503000      0.7875000      0.2238000      0.9941000
  1 1 1      -8    9   31 o    1.733000      0.5461000       1.962000 0.8155000       1.504000      0.7265000      0.4581000       1.092000
  1 1 1      -8    9   32 f    6.519000      0.5420000       6.015000 0.8106000       7.023000      0.7199000      -1.008000       1.084000
  1 1 1      -8    9   33 o    3.280000      0.5574000       4.256000 0.6737000       2.304000      0.8881000       1.952000       1.115000
  1 1 1      -8    9   34 o    2.764000      0.5549000       3.743000 0.7803000       1.785000      0.7891000       1.958000       1.110000
  1 1 1      -8   10    1 o    6.099000      0.1707000       6.151000 0.2470000       6.047000      0.2356000      0.1038000      0.3413000
  1 1 1      -8   10    2 o   0.9865000      0.3173000      0.9089000 0.4282000       1.064000      0.4684000     -0.1553000      0.6346000
  1 1 1      -8   10    3 o    3.655000      0.2348000       3.986000 0.3086000       3.325000      0.3540000      0.6606000      0.4696000
  1 1 1      -8   10    4 o    4.597000      0.2069000       4.439000 0.3002000       4.754000      0.2849000     -0.3150000      0.4139000
  1 1 1      -8   10    5 o    9.257000      0.1844000       9.062000 0.2611000       9.452000      0.2606000     -0.3903000      0.3689000
  1 1 1      -8   10    6 o    4.701000      0.2205000       4.743000 0.3101000       4.659000      0.3134000      0.8370000E-01  0.4409000
  1 1 1      -8   10    7 o    9.520000      0.1920000       9.668000 0.2706000       9.372000      0.2724000      0.2960000      0.3839000
  1 1 1      -8   10    8 o    6.484000      0.2816000       6.957000 0.3594000       6.012000      0.4336000      0.9453000      0.5632000
  1 1 1      -8   10    9 o    15.77000      0.3430000       15.97000 0.4831000       15.57000      0.4870000      0.3932000      0.6859000
  1 1 1      -8   10   10 o    10.67000      0.2098000       10.43000 0.2980000       10.91000      0.2953000     -0.4859000      0.4196000
  1 1 1      -8   10   11 o    4.879000      0.2530000       4.653000 0.3749000       5.106000      0.3397000     -0.4529000      0.5059000
  1 1 1      -8   10   12 o    2.669000      0.4847000       1.721000 0.7697000       3.617000      0.5891000      -1.896000      0.9693000
  1 1 1      -8   10   13 o    3.113000      0.5834000       3.348000 0.8502000       2.879000      0.7992000      0.4689000       1.167000
  1 1 1      -8   10   14 o    5.941000      0.2525000       5.934000 0.3599000       5.948000      0.3541000     -0.1452000E-01  0.5049000
  1 1 1      -8   10   15 f    6.376000      0.2533000       6.473000 0.3572000       6.279000      0.3593000      0.1934000      0.5066000
  1 1 1      -8   10   16 o    13.41000      0.2446000       13.43000 0.3468000       13.38000      0.3451000      0.5451000E-01  0.4892000
  1 1 1      -8   10   17 o    5.198000      0.2967000       5.334000 0.4056000       5.061000      0.4330000      0.2739000      0.5933000
  1 1 1      -8   10   18 o    7.655000      0.2526000       8.078000 0.3539000       7.232000      0.3605000      0.8468000      0.5052000
  1 1 1      -8   10   19 o    5.783000      0.4878000       5.023000 0.8966000       6.544000      0.3847000      -1.520000      0.9757000
  1 1 1      -8   10   20 f    8.623000      0.2551000       8.810000 0.3620000       8.436000      0.3594000      0.3741000      0.5101000
  1 1 1      -8   10   21 o    9.753000      0.2569000       9.663000 0.3622000       9.844000      0.3644000     -0.1813000      0.5138000
  1 1 1      -8   10   22 o    7.022000      0.3188000       6.943000 0.4956000       7.101000      0.4012000     -0.1577000      0.6376000
  1 1 1      -8   10   23 o    5.105000      0.4550000       5.382000 0.4176000       4.828000      0.8086000      0.5542000      0.9100000
  1 1 1      -8   10   24 o    9.328000      0.2736000       9.404000 0.3643000       9.252000      0.4083000      0.1518000      0.5472000
  1 1 1      -8   10   25 o    7.760000      0.2958000       7.095000 0.4182000       8.426000      0.4184000      -1.331000      0.5916000
  1 1 1      -8   10   26 o    1.746000      0.5346000       1.735000 0.7418000       1.757000      0.7699000     -0.2232000E-01   1.069000
  1 1 1      -8   10   27 f    8.637000      0.4113000       9.067000 0.5011000       8.208000      0.6523000      0.8593000      0.8226000
  1 1 1      -8   10   28 o    8.016000      0.4452000       7.672000 0.5813000       8.360000      0.6744000     -0.6882000      0.8903000
  1 1 1      -8   10   29 o    6.795000      0.3502000       6.460000 0.4722000       7.131000      0.5172000     -0.6706000      0.7003000
  1 1 1      -8   10   30 o    4.477000      0.5057000       4.555000 0.5511000       4.399000      0.8480000      0.1559000       1.011000
  1 1 1      -8   10   31 o    2.968000      0.7634000       2.737000 1.063000       3.199000       1.096000     -0.4618000       1.527000
  1 1 1      -8   10   32 o    5.522000      0.4384000       5.801000 0.5300000       5.243000      0.6986000      0.5584000      0.8769000
  1 1 1      -8   10   33 o    2.784000      0.6382000       2.847000 0.8923000       2.721000      0.9128000      0.1259000       1.276000
  1 1 1      -8   10   34 o    2.314000      0.6293000       2.230000 0.8825000       2.397000      0.8975000     -0.1671000       1.259000
  1 1 1      -8   11    1 o    4.217000      0.2129000       4.086000 0.3194000       4.348000      0.2816000     -0.2621000      0.4258000
  1 1 1      -8   11    2 o    7.581000      0.1711000       7.559000 0.2473000       7.603000      0.2365000     -0.4391000E-01  0.3422000
  1 1 1      -8   11    3 o    5.503000      0.1870000       5.697000 0.2665000       5.309000      0.2624000      0.3876000      0.3740000
  1 1 1      -8   11    4 f    9.271000      0.1819000       9.361000 0.2618000       9.181000      0.2526000      0.1798000      0.3638000
  1 1 1      -8   11    5 o    7.551000      0.1849000       7.427000 0.2637000       7.676000      0.2591000     -0.2489000      0.3697000
  1 1 1      -8   11    6 o    2.163000      0.4866000       2.362000 0.6697000       1.965000      0.7062000      0.3966000      0.9732000
  1 1 1      -8   11    7 o    6.938000      0.2659000       7.471000 0.3482000       6.405000      0.4018000       1.065000      0.5317000
  1 1 1      -8   11    8 o    5.383000      0.2233000       5.517000 0.3143000       5.250000      0.3173000      0.2670000      0.4466000
  1 1 1      -8   11    9 o    11.28000      0.2106000       11.18000 0.2998000       11.38000      0.2957000     -0.1999000      0.4211000
  1 1 1      -8   11   10 o    7.816000      0.3080000       7.928000 0.4705000       7.703000      0.3976000      0.2243000      0.6160000
  1 1 1      -8   11   11 o    3.107000      0.5474000       2.725000 0.8797000       3.488000      0.6516000     -0.7623000       1.095000
  1 1 1      -8   11   12 o    8.761000      0.2210000       8.843000 0.3198000       8.679000      0.3052000      0.1634000      0.4421000
  1 1 1      -8   11   13 o    4.008000      0.3202000       3.842000 0.4647000       4.175000      0.4406000     -0.3333000      0.6404000
  1 1 1      -8   11   14 o    7.095000      0.2377000       6.725000 0.3438000       7.464000      0.3283000     -0.7385000      0.4753000
  1 1 1      -8   11   15 o    9.154000      0.2298000       9.042000 0.3237000       9.265000      0.3262000     -0.2233000      0.4596000
  1 1 1      -8   11   16 o    5.889000      0.2724000       6.059000 0.3631000       5.720000      0.4061000      0.3388000      0.5448000
  1 1 1      -8   11   17 o    4.306000      0.3492000       4.293000 0.4720000       4.319000      0.5146000     -0.2539000E-01  0.6983000
  1 1 1      -8   11   18 o    7.857000      0.2552000       8.201000 0.3495000       7.514000      0.3719000      0.6868000      0.5104000
  1 1 1      -8   11   19 o    6.217000      0.2940000       6.164000 0.4174000       6.270000      0.4141000     -0.1057000      0.5879000
  1 1 1      -8   11   20 o    17.34000      0.2894000       17.13000 0.4103000       17.54000      0.4081000     -0.4146000      0.5788000
  1 1 1      -8   11   21 o    9.121000      0.2653000       9.373000 0.3717000       8.870000      0.3786000      0.5024000      0.5306000
  1 1 1      -8   11   22 o    1.798000      0.5267000       1.482000 0.6732000       2.114000      0.8102000     -0.6314000       1.053000
  1 1 1      -8   11   23 o    5.576000      0.5101000       5.576000 0.5101000                  ?              ?              ?              ?
  1 1 1      -8   11   24 o    9.834000      0.3030000       9.592000 0.4570000       10.08000      0.3979000     -0.4854000      0.6060000
  1 1 1      -8   11   25 o    8.777000      0.4200000                  ?       ?   8.777000      0.4200000                  ?              ?
  1 1 1      -8   11   26 o    11.37000      0.3855000       12.11000 0.5061000       10.64000      0.5818000       1.472000      0.7711000
  1 1 1      -8   11   27 o    5.609000      0.5860000       6.017000 0.6246000       5.200000      0.9917000      0.8172000       1.172000
  1 1 1      -8   11   28 o    3.792000      0.5519000       4.493000 0.6153000       3.092000      0.9164000       1.401000       1.104000
  1 1 1      -8   11   29 o    5.592000      0.6111000       5.450000 0.8252000       5.734000      0.9017000     -0.2837000       1.222000
  1 1 1      -8   11   30 o    2.621000      0.7285000       2.777000 1.034000       2.465000       1.027000      0.3124000       1.457000
  1 1 1      -8   11   31 o    3.846000      0.5815000       3.202000 0.8561000       4.489000      0.7871000      -1.287000       1.163000
  1 1 1      -8   11   32 o    3.592000      0.5891000       3.353000 0.8532000       3.831000      0.8125000     -0.4779000       1.178000
  1 1 1      -8   11   33 o    3.149000      0.5963000       2.391000 0.9050000       3.907000      0.7767000      -1.516000       1.193000
  1 1 1      -8   12    1 o    6.856000      0.1781000       6.851000 0.2604000       6.862000      0.2429000     -0.1068000E-01  0.3561000
  1 1 1      -8   12    2 o    3.342000      0.2669000       3.611000 0.3714000       3.074000      0.3834000      0.5372000      0.5338000
  1 1 1      -8   12    3 o    8.963000      0.2510000       8.661000 0.3488000       9.266000      0.3610000     -0.6053000      0.5020000
  1 1 1      -8   12    4 o    6.100000      0.2558000       6.248000 0.3427000       5.952000      0.3799000      0.2957000      0.5117000
  1 1 1      -8   12    5 o    4.056000      0.2620000       3.982000 0.4244000       4.130000      0.3076000     -0.1480000      0.5241000
  1 1 1      -8   12    6 o    1.927000      0.4313000       1.746000 0.6162000       2.108000      0.6037000     -0.3622000      0.8626000
  1 1 1      -8   12    7 o    5.043000      0.2271000       5.218000 0.3151000       4.869000      0.3270000      0.3489000      0.4542000
  1 1 1      -8   12    8 f    2.667000      0.5054000       2.036000 0.8058000       3.299000      0.6101000      -1.262000       1.011000
  1 1 1      -8   12    9 o    5.179000      0.3587000       5.057000 0.5599000       5.301000      0.4486000     -0.2435000      0.7174000
  1 1 1      -8   12   10 o    11.30000      0.2170000       11.35000 0.3113000       11.24000      0.3024000      0.1141000      0.4340000
  1 1 1      -8   12   11 f    1.956000      0.4483000       1.469000 0.6288000       2.442000      0.6392000     -0.9727000      0.8966000
  1 1 1      -8   12   12 o    5.527000      0.2600000       5.430000 0.3723000       5.624000      0.3629000     -0.1941000      0.5200000
  1 1 1      -8   12   13 o    14.30000      0.2451000       14.16000 0.3497000       14.45000      0.3436000     -0.2894000      0.4903000
  1 1 1      -8   12   14 o    13.08000      0.2373000       12.95000 0.3342000       13.21000      0.3369000     -0.2664000      0.4745000
  1 1 1      -8   12   15 o    12.80000      0.2398000       12.65000 0.3415000       12.96000      0.3368000     -0.3124000      0.4796000
  1 1 1      -8   12   16 o    11.42000      0.2371000       11.54000 0.3372000       11.30000      0.3334000      0.2462000      0.4742000
  1 1 1      -8   12   17 o    13.84000      0.2525000       13.72000 0.3559000       13.96000      0.3584000     -0.2436000      0.5051000
  1 1 1      -8   12   18 o    7.029000      0.2703000       7.264000 0.3728000       6.794000      0.3914000      0.4691000      0.5406000
  1 1 1      -8   12   19 o    7.860000      0.2616000       8.253000 0.3597000       7.467000      0.3800000      0.7862000      0.5233000
  1 1 1      -8   12   20 o    8.354000      0.2642000       8.078000 0.3697000       8.631000      0.3775000     -0.5531000      0.5284000
  1 1 1      -8   12   21 o    3.139000      0.5162000       3.146000 0.6903000       3.131000      0.7676000      0.1472000E-01   1.032000
  1 1 1      -8   12   22 o    5.081000      0.3679000       5.574000 0.4676000       4.588000      0.5680000      0.9854000      0.7357000
  1 1 1      -8   12   23 o    9.507000      0.3145000       10.30000 0.3871000       8.712000      0.4958000       1.589000      0.6290000
  1 1 1      -8   12   24 o    10.78000      0.2789000       10.62000 0.4008000       10.94000      0.3881000     -0.3136000      0.5579000
  1 1 1      -8   12   25 o    9.517000      0.5844000                  ?       ?   9.517000      0.5844000                  ?              ?
  1 1 1      -8   12   26 o    4.401000      0.4835000       4.182000 0.6437000       4.621000      0.7217000     -0.4390000      0.9670000
  1 1 1      -8   12   27 o    5.418000      0.4064000       5.896000 0.4884000       4.940000      0.6498000      0.9555000      0.8129000
  1 1 1      -8   12   28 o    6.197000      0.5272000       5.891000 0.7483000       6.503000      0.7427000     -0.6122000       1.054000
  1 1 1      -8   12   29 o    2.486000      0.6385000       2.444000 0.8673000       2.528000      0.9373000     -0.8481000E-01   1.277000
  1 1 1      -8   12   30 o    2.640000      0.5849000       3.401000 0.8264000       1.880000      0.8280000       1.521000       1.170000
  1 1 1      -8   12   31 o    5.091000      0.4648000       4.726000 0.6453000       5.455000      0.6691000     -0.7290000      0.9296000
  1 1 1      -8   12   32 o    3.844000      0.5677000       3.818000 0.7791000       3.869000      0.8258000     -0.5161000E-01   1.135000
  1 1 1      -8   12   33 o    2.690000      0.6238000       3.270000 0.9010000       2.109000      0.8630000       1.161000       1.248000
  1 1 1      -8   13    1 o    6.741000      0.2711000       6.720000 0.3958000       6.763000      0.3705000     -0.4372000E-01  0.5421000
  1 1 1      -8   13    2 o    8.135000      0.2562000       8.139000 0.3645000       8.130000      0.3602000      0.9027000E-02  0.5124000
  1 1 1      -8   13    3 o    15.89000      0.2403000       15.95000 0.3427000       15.84000      0.3369000      0.1093000      0.4806000
  1 1 1      -8   13    4 o    6.123000      0.2009000       6.162000 0.2887000       6.085000      0.2794000      0.7707000E-01  0.4018000
  1 1 1      -8   13    5 o    4.612000      0.3246000       4.479000 0.5799000       4.745000      0.2918000     -0.2659000      0.6492000
  1 1 1      -8   13    6 o    2.390000      0.5398000       2.747000 0.8127000       2.032000      0.7106000      0.7149000       1.080000
  1 1 1      -8   13    7 o    5.769000      0.3343000       6.154000 0.4969000       5.384000      0.4475000      0.7699000      0.6687000
  1 1 1      -8   13    8 o    6.614000      0.2142000       6.487000 0.3081000       6.742000      0.2978000     -0.2553000      0.4285000
  1 1 1      -8   13    9 o    5.501000      0.2440000       5.505000 0.3404000       5.497000      0.3496000      0.8736000E-02  0.4879000
  1 1 1      -8   13   10 f    8.748000      0.2095000       8.719000 0.2979000       8.776000      0.2946000     -0.5647000E-01  0.4190000
  1 1 1      -8   13   11 o    6.754000      0.2254000       6.505000 0.3270000       7.003000      0.3104000     -0.4980000      0.4509000
  1 1 1      -8   13   12 o    5.966000      0.2477000       6.051000 0.3420000       5.881000      0.3583000      0.1700000      0.4953000
  1 1 1      -8   13   13 o    7.351000      0.2291000       7.383000 0.3278000       7.319000      0.3202000      0.6374000E-01  0.4582000
  1 1 1      -8   13   14 o    8.151000      0.2254000       8.295000 0.3140000       8.007000      0.3235000      0.2883000      0.4508000
  1 1 1      -8   13   15 o    8.566000      0.2316000       8.685000 0.3321000       8.448000      0.3228000      0.2369000      0.4631000
  1 1 1      -8   13   16 o    5.498000      0.2893000       5.833000 0.3833000       5.162000      0.4334000      0.6709000      0.5786000
  1 1 1      -8   13   17 o    6.760000      0.2698000       6.983000 0.3719000       6.537000      0.3909000      0.4463000      0.5395000
  1 1 1      -8   13   18 o    6.183000      0.2846000       5.959000 0.4068000       6.407000      0.3980000     -0.4477000      0.5691000
  1 1 1      -8   13   19 o    9.161000      0.2564000       9.569000 0.3593000       8.753000      0.3660000      0.8161000      0.5129000
  1 1 1      -8   13   20 o    2.102000      0.5455000       2.328000 0.7648000       1.875000      0.7780000      0.4532000       1.091000
  1 1 1      -8   13   21 o    8.646000      0.2697000       8.766000 0.3725000       8.526000      0.3900000      0.2401000      0.5393000
  1 1 1      -8   13   22 o    2.637000      0.5631000       2.190000 0.7826000       3.084000      0.8099000     -0.8944000       1.126000
  1 1 1      -8   13   23 o    6.318000      0.4286000       5.737000 0.5485000       6.900000      0.6587000      -1.163000      0.8572000
  1 1 1      -8   13   24 o    7.638000      0.4170000       7.858000 0.5086000       7.418000      0.6610000      0.4398000      0.8340000
  1 1 1      -8   13   25 o    4.497000      0.4997000       4.617000 0.6331000       4.376000      0.7733000      0.2406000      0.9994000
  1 1 1      -8   13   26 o    4.048000      0.5454000       4.074000 0.6912000       4.021000      0.8438000      0.5285000E-01   1.091000
  1 1 1      -8   13   27 o    2.558000      0.7812000       2.964000 1.245000       2.152000      0.9445000      0.8128000       1.562000
  1 1 1      -8   13   28 o    2.978000      0.5858000       1.964000 0.7888000       3.991000      0.8662000      -2.027000       1.172000
  1 1 1      -8   13   29 o    4.081000      0.5623000       3.692000 0.7986000       4.471000      0.7917000     -0.7785000       1.125000
  1 1 1      -8   13   30 o    3.457000      0.5880000       3.317000 0.8137000       3.597000      0.8492000     -0.2793000       1.176000
  1 1 1      -8   13   31 o    4.393000      0.5250000       4.547000 0.6928000       4.239000      0.7891000      0.3072000       1.050000
  1 1 1      -8   13   32 o    2.306000      0.6154000       2.770000 0.9206000       1.842000      0.8169000      0.9286000       1.231000
  1 1 1      -8   14    1 o    8.127000      0.1948000       7.964000 0.2859000       8.290000      0.2648000     -0.3264000      0.3897000
  1 1 1      -8   14    2 o    6.551000      0.1919000       6.436000 0.2799000       6.666000      0.2626000     -0.2296000      0.3838000
  1 1 1      -8   14    3 o    4.506000      0.3418000       4.320000 0.5344000       4.691000      0.4264000     -0.3710000      0.6836000
  1 1 1      -8   14    4 f    2.754000      0.5002000       2.972000 0.7495000       2.536000      0.6626000      0.4364000       1.000000
  1 1 1      -8   14    5 o    6.521000      0.2119000       6.330000 0.3098000       6.712000      0.2892000     -0.3819000      0.4238000
  1 1 1      -8   14    6 o    6.568000      0.2115000       6.820000 0.2996000       6.315000      0.2987000      0.5054000      0.4230000
  1 1 1      -8   14    7 o    7.978000      0.2006000       7.927000 0.2908000       8.029000      0.2763000     -0.1021000      0.4012000
  1 1 1      -8   14    8 o    1.610000      0.4408000       1.458000 0.6003000       1.761000      0.6456000     -0.3030000      0.8816000
  1 1 1      -8   14    9 o    3.025000      0.4041000       2.378000 0.6774000       3.673000      0.4407000      -1.295000      0.8082000
  1 1 1      -8   14   10 o    7.761000      0.2158000       7.647000 0.3131000       7.876000      0.2971000     -0.2285000      0.4316000
  1 1 1      -8   14   11 o    13.83000      0.2365000       13.86000 0.3367000       13.80000      0.3321000      0.6458000E-01  0.4729000
  1 1 1      -8   14   12 o    6.499000      0.2346000       6.326000 0.3393000       6.673000      0.3239000     -0.3472000      0.4691000
  1 1 1      -8   14   13 o    5.928000      0.2571000       5.557000 0.3762000       6.299000      0.3504000     -0.7427000      0.5142000
  1 1 1      -8   14   14 o    9.757000      0.2259000       9.719000 0.3249000       9.796000      0.3139000     -0.7660000E-01  0.4518000
  1 1 1      -8   14   15 o    12.78000      0.2415000       13.02000 0.3446000       12.53000      0.3385000      0.4853000      0.4831000
  1 1 1      -8   14   16 o    10.65000      0.2377000       10.74000 0.3380000       10.56000      0.3344000      0.1795000      0.4755000
  1 1 1      -8   14   17 o    6.021000      0.2865000       5.547000 0.4082000       6.495000      0.4022000     -0.9480000      0.5731000
  1 1 1      -8   14   18 o    3.059000      0.4968000       3.583000 0.6035000       2.534000      0.7893000       1.049000      0.9935000
  1 1 1      -8   14   19 o    7.868000      0.2732000       7.925000 0.3857000       7.811000      0.3869000      0.1135000      0.5463000
  1 1 1      -8   14   20 o    3.969000      0.4561000       4.344000 0.5688000       3.594000      0.7132000      0.7492000      0.9122000
  1 1 1      -8   14   21 o    8.973000      0.2661000       9.109000 0.3803000       8.837000      0.3722000      0.2719000      0.5322000
  1 1 1      -8   14   22 o    3.290000      0.6212000       3.402000 0.7750000       3.179000      0.9711000      0.2236000       1.242000
  1 1 1      -8   14   23 o    4.203000      0.4791000       4.537000 0.5966000       3.870000      0.7497000      0.6663000      0.9581000
  1 1 1      -8   14   24 o    6.964000      0.3413000       7.096000 0.4703000       6.833000      0.4948000      0.2630000      0.6827000
  1 1 1      -8   14   25 o    8.564000      0.5413000       7.948000 0.9083000       9.181000      0.5891000      -1.232000       1.083000
  1 1 1      -8   14   26 o    6.925000      0.7027000       5.884000 1.209000       7.966000      0.7169000      -2.082000       1.405000
  1 1 1      -8   14   27 f    2.550000      0.6355000       3.040000 0.9288000       2.059000      0.8676000      0.9811000       1.271000
  1 1 1      -8   14   28 o    4.494000      0.5285000       5.480000 0.5976000       3.509000      0.8717000       1.972000       1.057000
  1 1 1      -8   14   29 o    2.173000      0.6449000       2.398000 0.9695000       1.948000      0.8507000      0.4509000       1.290000
  1 1 1      -8   14   30 o    5.008000      0.4738000       5.741000 0.5660000       4.275000      0.7599000       1.465000      0.9475000
  1 1 1      -8   14   31 o    2.171000      0.6101000       2.008000 0.8473000       2.333000      0.8780000     -0.3251000       1.220000
  1 1 1      -8   15    1 o    7.217000      0.2612000       6.965000 0.3919000       7.469000      0.3454000     -0.5039000      0.5224000
  1 1 1      -8   15    2 o    10.64000      0.2119000       10.70000 0.3113000       10.57000      0.2876000      0.1343000      0.4238000
  1 1 1      -8   15    3 o    9.826000      0.1995000       9.869000 0.2905000       9.783000      0.2737000      0.8627000E-01  0.3991000
  1 1 1      -8   15    4 o    6.024000      0.2125000       5.982000 0.3180000       6.065000      0.2821000     -0.8276000E-01  0.4250000
  1 1 1      -8   15    5 o    4.493000      0.2635000       4.537000 0.3871000       4.449000      0.3577000      0.8856000E-01  0.5271000
  1 1 1      -8   15    6 o    10.55000      0.2084000       10.50000 0.3052000       10.61000      0.2837000     -0.1152000      0.4167000
  1 1 1      -8   15    7 o    7.652000      0.2066000       7.625000 0.3010000       7.679000      0.2831000     -0.5378000E-01  0.4132000
  1 1 1      -8   15    8 o    4.142000      0.2887000       3.755000 0.4455000       4.528000      0.3673000     -0.7726000      0.5774000
  1 1 1      -8   15    9 o    1.764000      0.4357000       2.215000 0.6457000       1.313000      0.5851000      0.9026000      0.8714000
  1 1 1      -8   15   10 o    8.640000      0.2113000       8.729000 0.3039000       8.551000      0.2936000      0.1787000      0.4225000
  1 1 1      -8   15   11 o    4.622000      0.2885000       4.324000 0.4259000       4.920000      0.3892000     -0.5954000      0.5770000
  1 1 1      -8   15   12 o    8.994000      0.2242000       8.959000 0.3237000       9.028000      0.3103000     -0.6929000E-01  0.4484000
  1 1 1      -8   15   13 o    10.46000      0.2258000       10.09000 0.3213000       10.83000      0.3172000     -0.7311000      0.4515000
  1 1 1      -8   15   14 o    3.219000      0.4324000       3.245000 0.6002000       3.192000      0.6226000      0.5255000E-01  0.8648000
  1 1 1      -8   15   15 o    12.65000      0.2428000       12.42000 0.3446000       12.88000      0.3422000     -0.4640000      0.4856000
  1 1 1      -8   15   16 o    12.86000      0.2447000       12.76000 0.3463000       12.97000      0.3457000     -0.2066000      0.4894000
  1 1 1      -8   15   17 o    9.565000      0.2459000       9.587000 0.3492000       9.544000      0.3463000      0.4258000E-01  0.4918000
  1 1 1      -8   15   18 o    2.282000      0.5528000       2.409000 0.7770000       2.155000      0.7866000      0.2539000       1.106000
  1 1 1      -8   15   19 o    4.417000      0.3977000       4.723000 0.5059000       4.111000      0.6139000      0.6115000      0.7955000
  1 1 1      -8   15   20 o    4.936000      0.5037000       5.717000 0.5479000       4.156000      0.8454000       1.561000       1.007000
  1 1 1      -8   15   21 o    4.645000      0.4358000       5.192000 0.6014000       4.098000      0.6307000       1.094000      0.8715000
  1 1 1      -8   15   22 o    3.780000      0.5242000       4.304000 0.6434000       3.257000      0.8278000       1.046000       1.048000
  1 1 1      -8   15   23 o    6.182000      0.6178000       6.601000 0.9631000       5.764000      0.7742000      0.8369000       1.236000
  1 1 1      -8   15   24 o    6.327000       1.079000       6.327000 1.079000                  ?              ?              ?              ?
  1 1 1      -8   15   25 o    2.022000      0.5901000       2.268000 0.8804000       1.775000      0.7860000      0.4926000       1.180000
  1 1 1      -8   15   26 f    1.911000      0.5718000       1.809000 0.7710000       2.014000      0.8445000     -0.2049000       1.144000
  1 1 1      -8   15   27 o    2.457000      0.6473000       2.419000 0.8929000       2.496000      0.9374000     -0.7705000E-01   1.295000
  1 1 1      -8   15   28 o    5.244000      0.4725000       5.941000 0.5634000       4.547000      0.7586000       1.394000      0.9449000
  1 1 1      -8   15   29 o    2.381000      0.6349000       2.298000 0.8820000       2.463000      0.9135000     -0.1646000       1.270000
  1 1 1      -8   15   30 o    3.089000      0.5909000       4.073000 0.7818000       2.104000      0.8864000       1.969000       1.182000
  1 1 1      -8   15   31 f    4.308000      0.6674000       4.817000 1.033000       3.799000      0.8448000       1.019000       1.335000
  1 1 1      -8   16    1 o    4.121000      0.2942000       3.931000 0.4674000       4.310000      0.3575000     -0.3792000      0.5885000
  1 1 1      -8   16    2 o    6.660000      0.2321000       6.795000 0.3487000       6.526000      0.3063000      0.2687000      0.4641000
  1 1 1      -8   16    3 o    2.574000      0.4447000       2.155000 0.7281000       2.993000      0.5107000     -0.8379000      0.8893000
  1 1 1      -8   16    4 o    4.887000      0.2609000       5.206000 0.3683000       4.568000      0.3696000      0.6383000      0.5217000
  1 1 1      -8   16    5 o    8.506000      0.2042000       8.562000 0.2991000       8.450000      0.2782000      0.1121000      0.4085000
  1 1 1      -8   16    6 o    1.821000      0.4733000       1.976000 0.6921000       1.667000      0.6459000      0.3087000      0.9467000
  1 1 1      -8   16    7 o    3.220000      0.3726000       3.388000 0.5361000       3.053000      0.5176000      0.3355000      0.7452000
  1 1 1      -8   16    8 o    10.02000      0.2133000       9.722000 0.3108000       10.31000      0.2923000     -0.5909000      0.4267000
  1 1 1      -8   16    9 o    2.167000      0.4669000       2.435000 0.6413000       1.900000      0.6788000      0.5346000      0.9338000
  1 1 1      -8   16   10 o    9.943000      0.2136000       9.915000 0.3064000       9.971000      0.2976000     -0.5614000E-01  0.4272000
  1 1 1      -8   16   11 o    18.30000      0.2814000       18.11000 0.3988000       18.49000      0.3972000     -0.3816000      0.5628000
  1 1 1      -8   16   12 o    11.79000      0.2334000       11.44000 0.3364000       12.14000      0.3236000     -0.7059000      0.4668000
  1 1 1      -8   16   13 o    9.895000      0.2321000       9.957000 0.3368000       9.833000      0.3194000      0.1247000      0.4642000
  1 1 1      -8   16   14 o    9.010000      0.2367000       8.714000 0.3379000       9.305000      0.3316000     -0.5906000      0.4734000
  1 1 1      -8   16   15 o    2.861000      0.4735000       1.914000 0.7286000       3.808000      0.6049000      -1.895000      0.9470000
  1 1 1      -8   16   16 o    5.917000      0.2932000       5.953000 0.4056000       5.882000      0.4235000      0.7059000E-01  0.5864000
  1 1 1      -8   16   17 o    5.409000      0.3242000       5.651000 0.4379000       5.167000      0.4781000      0.4846000      0.6483000
  1 1 1      -8   16   18 o    4.984000      0.4486000       3.873000 0.6781000       6.095000      0.5875000      -2.223000      0.8972000
  1 1 1      -8   16   19 o    10.80000      0.3282000       10.88000 0.4367000       10.73000      0.4901000      0.1458000      0.6564000
  1 1 1      -8   16   20 f    4.316000      0.4590000       4.951000 0.5463000       3.681000      0.7378000       1.270000      0.9180000
  1 1 1      -8   16   21 o    7.151000      0.3039000       7.568000 0.4002000       6.734000      0.4574000      0.8346000      0.6078000
  1 1 1      -8   16   22 o    2.690000      0.7745000       2.911000 1.194000       2.468000      0.9867000      0.4424000       1.549000
  1 1 1      -8   16   23 o    6.498000      0.3499000       6.521000 0.4970000       6.474000      0.4928000      0.4653000E-01  0.6999000
  1 1 1      -8   16   24 o    3.298000      0.8598000       3.298000 0.8598000                  ?              ?              ?              ?
  1 1 1      -8   16   25 o    5.803000      0.3960000       5.760000 0.5461000       5.845000      0.5737000     -0.8480000E-01  0.7920000
  1 1 1      -8   16   26 o    3.993000      0.8327000                  ?       ?   3.993000      0.8327000                  ?              ?
  1 1 1      -8   16   27 f    2.015000      0.5955000       1.943000 0.8297000       2.088000      0.8543000     -0.1452000       1.191000
  1 1 1      -8   16   28 o    4.757000      0.4772000       5.089000 0.6304000       4.424000      0.7167000      0.6652000      0.9545000
  1 1 1      -8   16   29 o    2.486000      0.6380000       2.915000 0.9250000       2.056000      0.8790000      0.8593000       1.276000
  1 1 1      -8   16   30 o    2.714000      0.6309000       3.246000 0.9018000       2.181000      0.8826000       1.065000       1.262000
  1 1 1      -8   17    1 o    3.879000      0.3620000       4.025000 0.5327000       3.734000      0.4903000      0.2911000      0.7240000
  1 1 1      -8   17    2 o    6.593000      0.2388000       6.869000 0.3559000       6.318000      0.3185000      0.5517000      0.4776000
  1 1 1      -8   17    3 o    1.647000      0.4699000       1.467000 0.6482000       1.827000      0.6804000     -0.3600000      0.9397000
  1 1 1      -8   17    4 o    5.635000      0.2619000       5.764000 0.3991000       5.506000      0.3393000      0.2580000      0.5239000
  1 1 1      -8   17    5 o    9.183000      0.2123000       9.211000 0.3086000       9.155000      0.2916000      0.5588000E-01  0.4246000
  1 1 1      -8   17    6 o    7.051000      0.2202000       7.283000 0.3155000       6.818000      0.3072000      0.4655000      0.4403000
  1 1 1      -8   17    7 o    9.444000      0.2127000       9.168000 0.3079000       9.721000      0.2935000     -0.5529000      0.4253000
  1 1 1      -8   17    8 o    2.996000      0.4407000       3.521000 0.5671000       2.471000      0.6747000       1.050000      0.8814000
  1 1 1      -8   17    9 o    5.827000      0.2968000       6.426000 0.4509000       5.229000      0.3861000       1.198000      0.5937000
  1 1 1      -8   17   10 o    7.447000      0.2346000       7.564000 0.3409000       7.331000      0.3223000      0.2328000      0.4692000
  1 1 1      -8   17   11 f    12.93000      0.2377000       12.70000 0.3441000       13.17000      0.3280000     -0.4733000      0.4754000
  1 1 1      -8   17   12 o    13.76000      0.2470000       13.42000 0.3515000       14.10000      0.3471000     -0.6839000      0.4940000
  1 1 1      -8   17   13 o    10.78000      0.2364000       10.94000 0.3405000       10.62000      0.3280000      0.3227000      0.4727000
  1 1 1      -8   17   14 o    6.482000      0.2717000       6.600000 0.3834000       6.364000      0.3850000      0.2354000      0.5434000
  1 1 1      -8   17   15 o    3.098000      0.5177000       2.984000 0.7405000       3.212000      0.7237000     -0.2288000       1.035000
  1 1 1      -8   17   16 o    2.506000      0.5918000       2.041000 0.7709000       2.970000      0.8982000     -0.9289000       1.184000
  1 1 1      -8   17   17 o    2.466000      0.6151000       2.573000 0.8322000       2.358000      0.9059000      0.2141000       1.230000
  1 1 1      -8   17   18 o    6.348000      0.3076000       6.818000 0.3949000       5.878000      0.4717000      0.9400000      0.6152000
  1 1 1      -8   17   19 o    9.663000      0.2618000       10.03000 0.3655000       9.293000      0.3749000      0.7403000      0.5236000
  1 1 1      -8   17   20 o    6.884000      0.5373000       7.081000 0.8736000       6.686000      0.6258000      0.3943000       1.075000
  1 1 1      -8   17   21 o    2.690000      0.5998000       2.713000 0.8717000       2.667000      0.8240000      0.4564000E-01   1.200000
  1 1 1      -8   17   22 o    2.558000      0.6146000       2.855000 0.8691000       2.261000      0.8693000      0.5946000       1.229000
  1 1 1      -8   17   23 o    3.185000      0.6211000       3.309000 0.8904000       3.061000      0.8661000      0.2480000       1.242000
  1 1 1      -8   17   24 o    5.103000      0.4870000       5.402000 0.6114000       4.805000      0.7583000      0.5971000      0.9741000
  1 1 1      -8   17   25 o    4.299000      0.5326000       4.132000 0.7621000       4.467000      0.7441000     -0.3348000       1.065000
  1 1 1      -8   17   26 o    2.475000      0.9174000                  ?       ?   2.475000      0.9174000                  ?              ?
  1 1 1      -8   17   27 o    3.172000      0.5930000       2.226000 0.8873000       4.117000      0.7870000      -1.891000       1.186000
  1 1 1      -8   17   28 o    3.099000      0.6503000       2.811000 0.9160000       3.387000      0.9234000     -0.5757000       1.301000
  1 1 1      -8   17   29 o    2.038000      0.5855000       1.559000 0.7352000       2.517000      0.9115000     -0.9579000       1.171000
  1 1 1      -8   18    1 o    8.059000      0.2618000       7.846000 0.3969000       8.272000      0.3416000     -0.4258000      0.5237000
  1 1 1      -8   18    2 o    7.619000      0.2460000       7.329000 0.3805000       7.908000      0.3118000     -0.5788000      0.4919000
  1 1 1      -8   18    3 o    6.792000      0.2528000       6.833000 0.3884000       6.752000      0.3238000      0.8107000E-01  0.5057000
  1 1 1      -8   18    4 o    6.331000      0.3370000       5.810000 0.5817000       6.852000      0.3405000      -1.042000      0.6740000
  1 1 1      -8   18    5 o    4.343000      0.3638000       4.224000 0.5780000       4.462000      0.4419000     -0.2376000      0.7276000
  1 1 1      -8   18    6 o    13.20000      0.2349000       13.10000 0.3411000       13.31000      0.3230000     -0.2188000      0.4697000
  1 1 1      -8   18    7 o    5.811000      0.2629000       5.849000 0.3872000       5.773000      0.3559000      0.7625000E-01  0.5259000
  1 1 1      -8   18    8 f    11.63000      0.2283000       11.50000 0.3286000       11.75000      0.3172000     -0.2532000      0.4567000
  1 1 1      -8   18    9 f    15.72000      0.2586000       15.50000 0.3714000       15.93000      0.3599000     -0.4234000      0.5172000
  1 1 1      -8   18   10 o    10.35000      0.2322000       10.77000 0.3400000       9.943000      0.3162000      0.8227000      0.4643000
  1 1 1      -8   18   11 o    8.108000      0.2424000       8.184000 0.3559000       8.032000      0.3291000      0.1523000      0.4847000
  1 1 1      -8   18   12 o    4.105000      0.3629000       4.282000 0.5016000       3.928000      0.5245000      0.3535000      0.7258000
  1 1 1      -8   18   13 o    2.909000      0.5639000       2.629000 0.7352000       3.189000      0.8552000     -0.5609000       1.128000
  1 1 1      -8   18   14 o    7.016000      0.3378000       7.346000 0.4453000       6.685000      0.5081000      0.6607000      0.6756000
  1 1 1      -8   18   15 o    3.582000      0.5041000       4.465000 0.6124000       2.698000      0.8008000       1.767000       1.008000
  1 1 1      -8   18   16 o    7.614000      0.2732000       7.677000 0.3865000       7.551000      0.3861000      0.1266000      0.5463000
  1 1 1      -8   18   17 f    5.900000      0.3120000       5.983000 0.3965000       5.816000      0.4819000      0.1668000      0.6241000
  1 1 1      -8   18   18 f    2.644000      0.7397000       2.398000 1.059000       2.889000       1.033000     -0.4912000       1.479000
  1 1 1      -8   18   19 o    2.212000      0.5673000       2.518000 0.8399000       1.907000      0.7627000      0.6112000       1.135000
  1 1 1      -8   18   20 o    5.709000      0.3721000       6.301000 0.4995000       5.117000      0.5518000       1.184000      0.7443000
  1 1 1      -8   18   21 o    3.062000      0.6020000       3.489000 0.8096000       2.634000      0.8911000      0.8549000       1.204000
  1 1 1      -8   18   22 o    4.532000      0.4849000       4.958000 0.6236000       4.106000      0.7428000      0.8523000      0.9699000
  1 1 1      -8   18   23 o    3.033000      0.6408000       2.634000 0.9111000       3.431000      0.9012000     -0.7977000       1.282000
  1 1 1      -8   18   24 o    4.718000      0.5301000       5.463000 0.6085000       3.974000      0.8681000       1.489000       1.060000
  1 1 1      -8   18   25 o    2.170000      0.6263000       2.214000 0.9046000       2.125000      0.8664000      0.8967000E-01   1.253000
  1 1 1      -8   18   26 o    2.157000      0.5875000       1.539000 0.7369000       2.774000      0.9153000      -1.235000       1.175000
  1 1 1      -8   18   27 o    2.991000      0.6926000       3.075000 0.9670000       2.907000      0.9918000      0.1682000       1.385000
  1 1 1      -8   18   28 o    1.808000      0.5752000       1.849000 0.8218000       1.768000      0.8050000      0.8114000E-01   1.150000
  1 1 1      -8   19    1 o    17.83000      0.3023000       18.05000 0.4456000       17.61000      0.4086000      0.4395000      0.6046000
  1 1 1      -8   19    2 o    7.956000      0.2719000       7.594000 0.4274000       8.318000      0.3363000     -0.7244000      0.5439000
  1 1 1      -8   19    3 o    6.854000      0.2705000       6.736000 0.4223000       6.972000      0.3382000     -0.2354000      0.5410000
  1 1 1      -8   19    4 o    4.958000      0.3470000       4.604000 0.5549000       5.312000      0.4168000     -0.7084000      0.6940000
  1 1 1      -8   19    5 o    1.926000      0.5374000       2.250000 0.8286000       1.602000      0.6845000      0.6475000       1.075000
  1 1 1      -8   19    6 o    4.929000      0.3439000       5.331000 0.5057000       4.526000      0.4661000      0.8055000      0.6878000
  1 1 1      -8   19    7 o    8.093000      0.2466000       8.038000 0.3702000       8.148000      0.3258000     -0.1099000      0.4931000
  1 1 1      -8   19    8 o    2.492000      0.4962000       1.919000 0.7654000       3.065000      0.6317000      -1.146000      0.9924000
  1 1 1      -8   19    9 o    10.59000      0.2345000       10.61000 0.3427000       10.57000      0.3201000      0.3727000E-01  0.4689000
  1 1 1      -8   19   10 o    10.41000      0.2391000       10.61000 0.3502000       10.21000      0.3256000      0.4060000      0.4781000
  1 1 1      -8   19   11 o    3.697000      0.5528000       2.631000 0.8736000       4.763000      0.6776000      -2.132000       1.106000
  1 1 1      -8   19   12 o    2.875000      0.5789000       3.716000 0.7941000       2.033000      0.8425000       1.683000       1.158000
  1 1 1      -8   19   13 o    9.204000      0.2471000       9.104000 0.3578000       9.303000      0.3410000     -0.1998000      0.4942000
  1 1 1      -8   19   14 o    4.846000      0.3559000       5.251000 0.4687000       4.442000      0.5356000      0.8091000      0.7117000
  1 1 1      -8   19   15 o    6.881000      0.4879000       7.099000 0.7538000       6.663000      0.6195000      0.4364000      0.9757000
  1 1 1      -8   19   16 o    5.860000      0.5797000       6.142000 0.8967000       5.578000      0.7350000      0.5641000       1.159000
  1 1 1      -8   19   17 o    4.416000      0.4402000       3.976000 0.6790000       4.855000      0.5605000     -0.8786000      0.8805000
  1 1 1      -8   19   18 o    7.085000      0.3095000       7.208000 0.4347000       6.962000      0.4405000      0.2456000      0.6189000
  1 1 1      -8   19   19 o    5.759000      0.3743000       5.954000 0.5263000       5.564000      0.5324000      0.3904000      0.7486000
  1 1 1      -8   19   20 o    6.698000      0.3410000       6.728000 0.4720000       6.667000      0.4922000      0.6132000E-01  0.6819000
  1 1 1      -8   19   21 o    2.650000      0.6113000       2.018000 0.8372000       3.281000      0.8910000      -1.263000       1.223000
  1 1 1      -8   19   22 o    2.515000      0.6182000       1.981000 0.8437000       3.048000      0.9039000      -1.067000       1.236000
  1 1 1      -8   19   23 o    5.434000      0.4568000       5.203000 0.6631000       5.665000      0.6285000     -0.4616000      0.9137000
  1 1 1      -8   19   24 o    3.277000      0.6487000       2.716000 0.9592000       3.838000      0.8737000      -1.121000       1.297000
  1 1 1      -8   19   25 o    2.304000      0.6376000       2.156000 0.8891000       2.452000      0.9142000     -0.2962000       1.275000
  1 1 1      -8   19   26 o    2.342000      0.6176000       1.735000 0.7923000       2.949000      0.9477000      -1.214000       1.235000
  1 1 1      -8   19   27 o    2.526000      0.6587000       2.922000 0.9574000       2.129000      0.9048000      0.7931000       1.317000
  1 1 1      -8   20    1 o    11.71000      0.2811000       11.67000 0.4175000       11.74000      0.3765000     -0.6849000E-01  0.5622000
  1 1 1      -8   20    2 o    5.264000      0.3740000       5.320000 0.5979000       5.207000      0.4495000      0.1132000      0.7480000
  1 1 1      -8   20    3 o    2.242000      0.5629000       1.936000 0.8191000       2.548000      0.7725000     -0.6125000       1.126000
  1 1 1      -8   20    4 o    6.291000      0.3123000       6.762000 0.4780000       5.820000      0.4021000      0.9425000      0.6246000
  1 1 1      -8   20    5 o    9.728000      0.2595000       9.192000 0.3921000       10.26000      0.3400000      -1.072000      0.5189000
  1 1 1      -8   20    6 o    6.294000      0.3132000       6.322000 0.4698000       6.265000      0.4144000      0.5662000E-01  0.6264000
  1 1 1      -8   20    7 o    5.142000      0.3507000       5.213000 0.5138000       5.071000      0.4776000      0.1421000      0.7014000
  1 1 1      -8   20    8 o    2.998000      0.6735000       2.850000 0.9823000       3.146000      0.9216000     -0.2961000       1.347000
  1 1 1      -8   20    9 o    4.114000      0.5366000       4.454000 0.6823000       3.774000      0.8284000      0.6807000       1.073000
  1 1 1      -8   20   10 o    6.796000      0.3083000       7.369000 0.4829000       6.224000      0.3833000       1.145000      0.6165000
  1 1 1      -8   20   11 o    10.55000      0.2468000       10.48000 0.3636000       10.61000      0.3338000     -0.1329000      0.4936000
  1 1 1      -8   20   12 o    10.86000      0.2496000       10.58000 0.3676000       11.14000      0.3376000     -0.5593000      0.4991000
  1 1 1      -8   20   13 o    3.581000      0.6454000       2.581000 1.060000       4.581000      0.7367000      -2.000000       1.291000
  1 1 1      -8   20   14 o    2.689000      0.7312000       3.264000 1.154000       2.113000      0.8987000       1.151000       1.462000
  1 1 1      -8   20   15 o    1.671000      0.5107000       1.787000 0.7526000       1.554000      0.6907000      0.2322000       1.021000
  1 1 1      -8   20   16 o    6.642000      0.3072000       6.678000 0.4386000       6.607000      0.4301000      0.7095000E-01  0.6143000
  1 1 1      -8   20   17 o    5.806000      0.3517000       5.831000 0.5039000       5.780000      0.4908000      0.5153000E-01  0.7034000
  1 1 1      -8   20   18 f    3.299000      0.5660000       3.565000 0.7554000       3.034000      0.8432000      0.5315000       1.132000
  1 1 1      -8   20   19 o    3.700000      0.5581000       3.345000 0.8137000       4.054000      0.7641000     -0.7086000       1.116000
  1 1 1      -8   20   20 o    7.464000      0.3303000       7.256000 0.4733000       7.671000      0.4607000     -0.4150000      0.6605000
  1 1 1      -8   20   21 o    2.471000      0.6343000       2.260000 0.8959000       2.682000      0.8982000     -0.4228000       1.269000
  1 1 1      -8   20   22 o    3.290000      0.6130000       4.041000 0.8291000       2.538000      0.9030000       1.503000       1.226000
  1 1 1      -8   20   23 o    3.585000      0.6346000       3.373000 0.9462000       3.796000      0.8461000     -0.4228000       1.269000
  1 1 1      -8   20   24 o    3.176000      0.6765000       3.496000 0.9350000       2.855000      0.9780000      0.6416000       1.353000
  1 1 1      -8   20   25 o    2.291000      0.6251000       2.961000 0.9698000       1.620000      0.7891000       1.341000       1.250000
  1 1 1      -8   20   26 o    2.425000      0.6285000       1.883000 0.8235000       2.967000      0.9496000      -1.083000       1.257000
  1 1 1      -8   21    1 o    2.549000      0.6087000       2.903000 0.9160000       2.194000      0.8019000      0.7094000       1.217000
  1 1 1      -8   21    2 o    5.757000      0.3823000       5.573000 0.6098000       5.941000      0.4612000     -0.3680000      0.7645000
  1 1 1      -8   21    3 o    4.770000      0.4729000       4.312000 0.7978000       5.228000      0.5079000     -0.9157000      0.9458000
  1 1 1      -8   21    4 o    5.090000      0.3742000       5.463000 0.6114000       4.716000      0.4315000      0.7466000      0.7483000
  1 1 1      -8   21    5 o    5.272000      0.6713000       5.538000 0.9631000       5.006000      0.9353000      0.5316000       1.343000
  1 1 1      -8   21    6 o    2.719000      0.7434000       2.663000 1.056000       2.774000       1.047000     -0.1107000       1.487000
  1 1 1      -8   21    7 o    4.812000      0.4156000       5.307000 0.5656000       4.317000      0.6091000      0.9905000      0.8312000
  1 1 1      -8   21    8 f    4.738000      0.4302000       4.521000 0.6935000       4.956000      0.5093000     -0.4347000      0.8604000
  1 1 1      -8   21    9 o    9.933000      0.2614000       9.593000 0.3953000       10.27000      0.3422000     -0.6783000      0.5228000
  1 1 1      -8   21   10 o    5.224000      0.5657000       5.022000 0.9286000       5.425000      0.6464000     -0.4030000       1.131000
  1 1 1      -8   21   12 o    4.958000      0.3848000       5.395000 0.5395000       4.522000      0.5488000      0.8733000      0.7696000
  1 1 1      -8   21   13 o    2.997000      0.5920000       2.992000 0.8728000       3.002000      0.8001000     -0.9739000E-02   1.184000
  1 1 1      -8   21   14 o    4.327000      0.4545000       4.073000 0.7084000       4.581000      0.5695000     -0.5079000      0.9089000
  1 1 1      -8   21   15 o    4.099000      0.5065000       4.244000 0.7107000       3.953000      0.7220000      0.2909000       1.013000
  1 1 1      -8   21   16 o    4.455000      0.4682000       5.141000 0.5744000       3.770000      0.7395000       1.371000      0.9364000
  1 1 1      -8   21   17 o    2.696000      0.6200000       2.475000 0.8874000       2.917000      0.8662000     -0.4412000       1.240000
  1 1 1      -8   21   18 o    3.478000      0.5796000       3.095000 0.8967000       3.861000      0.7345000     -0.7655000       1.159000
  1 1 1      -8   21   19 o    6.693000      0.3544000       6.348000 0.5380000       7.037000      0.4614000     -0.6889000      0.7088000
  1 1 1      -8   21   20 o    4.348000      0.5262000       4.981000 0.6598000       3.714000      0.8200000       1.266000       1.052000
  1 1 1      -8   21   21 o    4.609000      0.5217000       5.169000 0.6859000       4.049000      0.7862000       1.120000       1.043000
  1 1 1      -8   21   22 o    6.791000      0.3688000       7.166000 0.5202000       6.416000      0.5230000      0.7509000      0.7377000
  1 1 1      -8   21   23 o    2.348000      0.6543000       2.475000 0.9456000       2.221000      0.9047000      0.2534000       1.309000
  1 1 1      -8   21   24 o    4.860000      0.5290000       4.365000 0.7957000       5.354000      0.6974000     -0.9891000       1.058000
  1 1 1      -8   21   25 o    3.089000      0.9603000       3.089000 0.9603000                  ?              ?              ?              ?
  1 1 1      -8   22    1 o    3.330000       1.014000       3.278000 1.411000       3.382000       1.458000     -0.1040000       2.029000
  1 1 1      -8   22    2 o    4.654000       1.089000       5.672000 1.611000       3.636000       1.467000       2.036000       2.179000
  1 1 1      -8   22    3 o    3.755000       1.048000       3.766000 1.501000       3.743000       1.464000      0.2301000E-01   2.097000
  1 1 1      -8   22    4 o    3.078000      0.6446000       3.159000 0.9731000       2.997000      0.8455000      0.1618000       1.289000
  1 1 1      -8   22    5 o    6.428000      0.3672000       5.995000 0.5906000       6.862000      0.4365000     -0.8671000      0.7344000
  1 1 1      -8   22    6 o    4.304000      0.4737000       4.118000 0.7357000       4.490000      0.5969000     -0.3715000      0.9474000
  1 1 1      -8   22    7 o    2.873000      0.6982000       3.081000 1.053000       2.664000      0.9167000      0.4170000       1.396000
  1 1 1      -8   22    8 o    2.666000      0.6780000       2.297000 0.9840000       3.035000      0.9330000     -0.7375000       1.356000
  1 1 1      -8   22    9 o    3.214000      0.5983000       2.775000 0.9405000       3.652000      0.7400000     -0.8764000       1.197000
  1 1 1      -8   22   10 o    7.889000      0.3050000       8.244000 0.4472000       7.534000      0.4149000      0.7100000      0.6100000
  1 1 1      -8   22   11 o    7.839000      0.2936000       8.100000 0.4296000       7.577000      0.4005000      0.5234000      0.5873000
  1 1 1      -8   22   12 o    3.089000      0.5862000       2.706000 0.9111000       3.473000      0.7377000     -0.7671000       1.172000
  1 1 1      -8   22   13 o    2.820000      0.5895000       2.451000 0.8921000       3.188000      0.7709000     -0.7371000       1.179000
  1 1 1      -8   22   14 o    6.443000      0.3446000       6.265000 0.5262000       6.620000      0.4452000     -0.3547000      0.6893000
  1 1 1      -8   22   15 o    3.539000      0.5571000       3.720000 0.7856000       3.358000      0.7899000      0.3618000       1.114000
  1 1 1      -8   22   16 o    2.743000      0.6374000       2.484000 0.9248000       3.001000      0.8773000     -0.5172000       1.275000
  1 1 1      -8   22   17 o    2.722000      0.6379000       2.625000 0.9261000       2.819000      0.8775000     -0.1943000       1.276000
  1 1 1      -8   22   18 o    4.185000      0.5509000       4.204000 0.8111000       4.165000      0.7456000      0.3911000E-01   1.102000
  1 1 1      -8   22   19 o    2.883000      0.6414000       3.312000 0.9114000       2.454000      0.9026000      0.8586000       1.283000
  1 1 1      -8   22   20 o    5.267000      0.4641000       5.595000 0.6464000       4.939000      0.6663000      0.6553000      0.9283000
  1 1 1      -8   22   21 o    3.267000      0.6664000       3.481000 0.9781000       3.054000      0.9052000      0.4270000       1.333000
  1 1 1      -8   22   22 o    3.071000      0.6906000       3.268000 0.9885000       2.874000      0.9648000      0.3938000       1.381000
  1 1 1      -8   22   23 o    2.078000      0.6218000       1.614000 0.7724000       2.542000      0.9745000     -0.9274000       1.244000
  1 1 1      -8   23    1 f    7.627000      0.3974000       7.593000 0.6271000       7.660000      0.4884000     -0.6661000E-01  0.7948000
  1 1 1      -8   23    2 o    5.644000      0.4332000       6.328000 0.5733000       4.960000      0.6497000       1.368000      0.8665000
  1 1 1      -8   23    3 o    3.596000      0.6549000       3.138000 1.014000       4.054000      0.8287000     -0.9160000       1.310000
  1 1 1      -8   23    4 o    2.520000      0.6644000       3.194000 1.045000       1.846000      0.8216000       1.348000       1.329000
  1 1 1      -8   23    5 o    2.959000      0.6886000       2.620000 1.027000       3.297000      0.9180000     -0.6766000       1.377000
  1 1 1      -8   23    6 o    4.506000      0.5469000       3.813000 0.9330000       5.199000      0.5711000      -1.386000       1.094000
  1 1 1      -8   23    7 o    5.957000      0.3928000       5.574000 0.6249000       6.341000      0.4762000     -0.7669000      0.7857000
  1 1 1      -8   23    8 o    2.611000      0.6239000       3.370000 0.9626000       1.853000      0.7940000       1.518000       1.248000
  1 1 1      -8   23    9 o    11.05000      0.2918000       10.76000 0.4403000       11.33000      0.3831000     -0.5647000      0.5836000
  1 1 1      -8   23   10 f    12.61000      0.2822000       12.46000 0.4233000       12.75000      0.3734000     -0.2884000      0.5645000
  1 1 1      -8   23   11 o    5.682000      0.4146000       5.649000 0.6364000       5.716000      0.5315000     -0.6661000E-01  0.8291000
  1 1 1      -8   23   12 o    1.862000      0.5776000       2.021000 0.8737000       1.703000      0.7556000      0.3184000       1.155000
  1 1 1      -8   23   13 o    4.891000      0.4429000       5.108000 0.6379000       4.675000      0.6144000      0.4335000      0.8857000
  1 1 1      -8   23   14 o    1.911000      0.5841000       1.985000 0.8636000       1.836000      0.7866000      0.1487000       1.168000
  1 1 1      -8   23   15 o    6.673000      0.3531000       6.773000 0.5208000       6.573000      0.4768000      0.2004000      0.7061000
  1 1 1      -8   23   16 o    6.262000      0.3902000       6.321000 0.5812000       6.202000      0.5209000      0.1193000      0.7804000
  1 1 1      -8   23   17 o    6.243000      0.4195000       6.696000 0.5882000       5.790000      0.5983000      0.9057000      0.8390000
  1 1 1      -8   23   18 f    4.430000      0.5586000       5.016000 0.7264000       3.845000      0.8488000       1.171000       1.117000
  1 1 1      -8   23   19 o    2.244000      0.6398000       2.590000 0.9734000       1.897000      0.8306000      0.6926000       1.280000
  1 1 1      -8   23   20 o    2.197000      0.6415000       2.092000 0.8987000       2.302000      0.9156000     -0.2101000       1.283000
  1 1 1      -8   23   21 o    2.371000      0.6584000       2.034000 0.8916000       2.707000      0.9690000     -0.6733000       1.317000
  1 1 1      -8   23   22 o    2.451000      0.6441000       3.118000 0.9951000       1.783000      0.8182000       1.335000       1.288000
  1 1 1      -8   24    1 o    4.805000      0.6149000       3.963000 1.069000       5.646000      0.6074000      -1.683000       1.230000
  1 1 1      -8   24    2 o    3.086000      0.6642000       3.371000 1.008000       2.801000      0.8655000      0.5698000       1.328000
  1 1 1      -8   24    3 o    2.795000      0.6554000       3.198000 0.9957000       2.391000      0.8525000      0.8064000       1.311000
  1 1 1      -8   24    4 o    7.966000      0.3576000       7.574000 0.5807000       8.358000      0.4174000     -0.7843000      0.7152000
  1 1 1      -8   24    5 f    13.98000      0.3044000       13.98000 0.4547000       13.99000      0.4048000     -0.1638000E-01  0.6088000
  1 1 1      -8   24    6 o    9.254000      0.3303000       8.902000 0.5191000       9.605000      0.4085000     -0.7024000      0.6605000
  1 1 1      -8   24    7 o    3.045000      0.6630000       3.981000 1.003000       2.108000      0.8671000       1.873000       1.326000
  1 1 1      -8   24    8 o    4.533000      0.5343000       4.866000 0.7612000       4.201000      0.7501000      0.6649000       1.069000
  1 1 1      -8   24    9 o    7.486000      0.3608000       7.187000 0.5587000       7.785000      0.4568000     -0.5978000      0.7217000
  1 1 1      -8   24   10 o    5.038000      0.5227000       4.766000 0.8398000       5.311000      0.6228000     -0.5455000       1.045000
  1 1 1      -8   24   11 o    4.556000      0.5254000       5.287000 0.6848000       3.825000      0.7972000       1.463000       1.051000
  1 1 1      -8   24   12 o    4.061000      0.6290000       3.571000 1.016000       4.552000      0.7424000     -0.9805000       1.258000
  1 1 1      -8   24   13 o    3.530000      0.6164000       2.951000 0.9727000       4.110000      0.7573000      -1.159000       1.233000
  1 1 1      -8   24   14 o    7.557000      0.3483000       8.062000 0.5025000       7.052000      0.4824000       1.010000      0.6965000
  1 1 1      -8   24   15 o    10.61000      0.3096000       10.71000 0.4595000       10.50000      0.4151000      0.2071000      0.6193000
  1 1 1      -8   24   16 o    8.900000      0.3293000       8.670000 0.5017000       9.130000      0.4266000     -0.4593000      0.6586000
  1 1 1      -8   24   17 o    2.840000      0.6797000       2.225000 0.9484000       3.455000      0.9738000      -1.230000       1.359000
  1 1 1      -8   24   18 f    1.883000      0.6068000       1.942000 0.8921000       1.825000      0.8228000      0.1174000       1.214000
  1 1 1      -8   24   19 o    3.845000      0.6730000       3.398000 1.044000       4.292000      0.8500000     -0.8936000       1.346000
  1 1 1      -8   24   20 o    3.024000      0.6878000       2.376000 0.9656000       3.672000      0.9798000      -1.296000       1.376000
  1 1 1      -8   25    1 o    1.695000      0.5638000       1.629000 0.7842000       1.760000      0.8103000     -0.1306000       1.128000
  1 1 1      -8   25    2 o    2.970000      0.7259000       2.745000 1.054000       3.195000      0.9984000     -0.4496000       1.452000
  1 1 1      -8   25    3 o    5.219000      0.5852000       4.241000 0.9955000       6.197000      0.6153000      -1.956000       1.170000
  1 1 1      -8   25    4 o    8.846000      0.3704000       8.470000 0.5855000       9.222000      0.4539000     -0.7524000      0.7408000
  1 1 1      -8   25    5 o    8.121000      0.3888000       7.654000 0.6299000       8.587000      0.4559000     -0.9333000      0.7776000
  1 1 1      -8   25    6 o    4.566000      0.5748000       5.342000 0.7930000       3.789000      0.8324000       1.553000       1.150000
  1 1 1      -8   25    7 o    3.786000      0.6574000       3.322000 1.084000       4.251000      0.7445000     -0.9292000       1.315000
  1 1 1      -8   25    8 o    4.070000      0.6261000       4.323000 0.9440000       3.817000      0.8228000      0.5066000       1.252000
  1 1 1      -8   25    9 o    2.729000      0.6938000       2.992000 1.022000       2.466000      0.9383000      0.5266000       1.388000
  1 1 1      -8   25   10 o    2.458000      0.6881000       2.323000 0.9664000       2.593000      0.9797000     -0.2705000       1.376000
  1 1 1      -8   25   11 o    5.343000      0.5021000       4.959000 0.7880000       5.728000      0.6224000     -0.7685000       1.004000
  1 1 1      -8   25   12 o    4.350000      0.6368000       4.779000 0.8949000       3.921000      0.9061000      0.8582000       1.274000
  1 1 1      -8   25   13 o    2.985000      0.6837000       3.731000 1.023000       2.240000      0.9072000       1.491000       1.367000
  1 1 1      -8   25   14 o    5.502000      0.5551000       4.790000 0.9294000       6.215000      0.6071000      -1.425000       1.110000
  1 1 1      -8   25   15 o    5.360000      0.5256000       5.143000 0.8203000       5.577000      0.6575000     -0.4340000       1.051000
  1 1 1      -8   25   16 o    1.697000      0.5591000       1.501000 0.7361000       1.893000      0.8418000     -0.3921000       1.118000
  1 1 1      -8   25   17 o    5.064000      0.5566000       5.485000 0.7633000       4.644000      0.8102000      0.8409000       1.113000
  1 1 1      -8   25   18 o    5.106000      0.5839000       5.199000 0.8540000       5.013000      0.7964000      0.1859000       1.168000
  1 1 1      -8   26    1 o    4.592000      0.6892000       4.739000 1.022000       4.446000      0.9252000      0.2934000       1.378000
  1 1 1      -8   26    2 o    3.402000      0.6856000       2.568000 1.068000       4.236000      0.8602000      -1.668000       1.371000
  1 1 1      -8   26    3 o    4.374000      0.6379000       4.844000 0.9172000       3.903000      0.8867000      0.9409000       1.276000
  1 1 1      -8   26    4 o    3.884000      0.6711000       3.729000 1.067000       4.038000      0.8137000     -0.3089000       1.342000
  1 1 1      -8   26    5 o    3.048000      0.7141000       3.659000 1.044000       2.436000      0.9749000       1.223000       1.428000
  1 1 1      -8   26    6 o    7.374000      0.4123000       7.109000 0.6278000       7.638000      0.5347000     -0.5284000      0.8247000
  1 1 1      -8   26    7 o    3.429000      0.9035000       3.478000 1.109000       3.379000       1.427000      0.9929000E-01   1.807000
  1 1 1      -8   26    8 o    2.823000      0.7142000       2.595000 1.048000       3.052000      0.9707000     -0.4570000       1.428000
  1 1 1      -8   26    9 o    3.135000      0.6712000       2.434000 0.9906000       3.835000      0.9060000      -1.401000       1.342000
  1 1 1      -8   26   10 o    4.429000      0.6310000       3.069000 1.077000       5.789000      0.6577000      -2.720000       1.262000
  1 1 1      -8   26   11 o    4.255000      0.6588000       3.257000 1.100000       5.252000      0.7258000      -1.995000       1.318000
  1 1 1      -8   26   12 o    4.941000      0.5760000       5.173000 0.8345000       4.708000      0.7941000      0.4652000       1.152000
  1 1 1      -8   26   13 o    5.598000      0.5400000       4.896000 0.8831000       6.300000      0.6217000      -1.405000       1.080000
  1 1 1      -8   26   14 o    2.592000      0.7137000       2.237000 0.9836000       2.947000       1.034000     -0.7098000       1.427000
  1 1 1      -8   26   15 o    3.443000      0.7519000       3.348000 1.106000       3.538000       1.018000     -0.1899000       1.504000
  1 1 1      -8   26   16 o    5.430000      0.5604000       4.671000 0.9222000       6.189000      0.6370000      -1.518000       1.121000
  1 1 1      -8   27    1 o    6.516000      0.5252000       6.168000 0.8036000       6.863000      0.6764000     -0.6951000       1.050000
  1 1 1      -8   27    2 o    4.093000      0.7148000       3.271000 1.131000       4.915000      0.8745000      -1.644000       1.430000
  1 1 1      -8   27    3 o    3.170000      0.7868000       3.265000 1.114000       3.076000       1.111000      0.1894000       1.574000
  1 1 1      -8   27    4 o    3.510000      0.7800000       3.871000 1.123000       3.149000       1.083000      0.7213000       1.560000
  1 1 1      -8   27    5 o    2.246000      0.6805000       2.599000 1.052000       1.893000      0.8635000      0.7057000       1.361000
  1 1 1      -8   27    6 o    3.227000      0.7279000       2.787000 1.079000       3.667000      0.9775000     -0.8803000       1.456000
  1 1 1      -8   27    7 o    2.751000      0.7468000       2.529000 1.032000       2.974000       1.080000     -0.4453000       1.494000
  1 1 1      -8   27    8 o    5.164000      0.6364000       5.050000 0.9512000       5.278000      0.8458000     -0.2275000       1.273000
  1 1 1      -8   27    9 o    4.724000      0.6475000       4.657000 0.9683000       4.791000      0.8599000     -0.1331000       1.295000
  1 1 1      -8   27   10 o    4.565000      0.6343000       4.200000 0.9930000       4.929000      0.7895000     -0.7294000       1.269000
  1 1 1      -8   27   11 o    2.540000      0.7304000       2.533000 1.050000       2.547000       1.015000     -0.1401000E-01   1.461000
  1 1 1      -8   27   12 o    2.550000      0.6898000       2.153000 0.9526000       2.946000      0.9980000     -0.7927000       1.380000
  1 1 1      -8   27   13 o    1.862000      0.6109000       1.758000 0.8444000       1.966000      0.8831000     -0.2088000       1.222000
  1 1 1      -8   27   14 o    5.251000       1.072000       5.251000 1.072000                  ?              ?              ?              ?
  1 1 1      -8   28    1 o    4.277000      0.7644000       3.706000 1.182000       4.848000      0.9698000      -1.141000       1.529000
  1 1 1      -8   28    2 o    2.735000      0.7633000       3.251000 1.162000       2.219000      0.9900000       1.033000       1.527000
  1 1 1      -8   28    3 f    2.306000      0.7147000       2.481000 1.060000       2.131000      0.9591000      0.3508000       1.429000
  1 1 1      -8   28    4 o    2.508000      0.7247000       2.657000 1.071000       2.358000      0.9764000      0.2995000       1.449000
  1 1 1      -8   28    5 o    4.559000      0.6800000       3.608000 1.067000       5.510000      0.8436000      -1.902000       1.360000
  1 1 1      -8   28    6 o    3.955000      0.7140000       3.111000 1.111000       4.800000      0.8968000      -1.689000       1.428000
  1 1 1      -8   28    7 o    2.697000      0.7462000       2.989000 1.104000       2.406000       1.004000      0.5828000       1.492000
  1 1 1      -8   28    8 o    3.078000      0.7491000       3.484000 1.108000       2.671000       1.009000      0.8136000       1.498000
  1 1 1      -8   28    9 o    2.479000      0.7332000       2.408000 1.040000       2.550000       1.033000     -0.1411000       1.466000
  1 1 1      -8   28   10 o    3.879000      0.7343000       3.471000 1.122000       4.286000      0.9482000     -0.8154000       1.469000
  1 1 1      -8   29    1 o    2.428000      0.7450000       2.689000 1.121000       2.166000      0.9821000      0.5232000       1.490000
  1 1 1      -8   29    2 o    3.356000      0.8067000       4.062000 1.189000       2.649000       1.091000       1.413000       1.613000
  1 1 1      -8   29    3 o    3.646000      0.8140000       3.258000 1.156000       4.034000       1.146000     -0.7765000       1.628000
  1 1 1      -8   29    4 o    4.527000      0.7880000       4.702000 1.053000       4.352000       1.172000      0.3499000       1.576000
  1 1 1      -8   29    5 o    3.811000       1.021000       4.059000 1.360000       3.563000       1.522000      0.4967000       2.041000
  1 1 1      -7  -36    1 o    4.349000      0.9197000       2.326000 1.041000       6.372000       1.517000      -4.045000       1.839000
  1 1 1      -7  -36    2 o    1.891000      0.9009000       1.891000 0.9009000                  ?              ?              ?              ?
  1 1 1      -7  -36    3 o    3.179000       1.403000       3.179000 1.403000                  ?              ?              ?              ?
  1 1 1      -7  -35    1 o    4.234000      0.7967000       3.713000 1.254000       4.755000      0.9835000      -1.042000       1.593000
  1 1 1      -7  -35    2 o    2.598000      0.7756000       2.408000 1.093000       2.788000       1.101000     -0.3793000       1.551000
  1 1 1      -7  -35    3 o    2.632000      0.7849000       2.733000 1.163000       2.531000       1.054000      0.2020000       1.570000
  1 1 1      -7  -35    4 o    2.445000      0.7538000       2.797000 1.175000       2.092000      0.9441000      0.7046000       1.508000
  1 1 1      -7  -35    5 o    3.624000      0.7890000       4.109000 1.150000       3.140000       1.081000      0.9691000       1.578000
  1 1 1      -7  -35    6 o    4.028000      0.8059000       3.940000 1.205000       4.115000       1.070000     -0.1743000       1.612000
  1 1 1      -7  -35    7 o    2.793000      0.7747000       3.528000 1.224000       2.058000      0.9498000       1.470000       1.549000
  1 1 1      -7  -35    8 o    2.624000      0.7727000       2.575000 1.096000       2.674000       1.090000     -0.9887000E-01   1.545000
  1 1 1      -7  -35    9 o    4.878000       1.476000       4.878000 1.476000                  ?              ?              ?              ?
  1 1 1      -7  -34    1 o    5.093000      0.6906000       5.231000 1.037000       4.955000      0.9123000      0.2759000       1.381000
  1 1 1      -7  -34    2 o    2.780000      0.7735000       2.508000 1.094000       3.052000       1.094000     -0.5433000       1.547000
  1 1 1      -7  -34    3 o    3.718000      0.8882000       4.320000 1.378000       3.116000       1.120000       1.204000       1.776000
  1 1 1      -7  -34    4 o    4.018000      0.7852000       4.172000 1.153000       3.865000       1.066000      0.3068000       1.570000
  1 1 1      -7  -34    5 o    3.022000      0.7917000       3.059000 1.159000       2.984000       1.079000      0.7510000E-01   1.583000
  1 1 1      -7  -34    6 o    2.572000      0.7163000       2.097000 0.9757000       3.048000       1.049000     -0.9506000       1.433000
  1 1 1      -7  -34    7 o    2.324000      0.7081000       2.606000 1.089000       2.043000      0.9055000      0.5633000       1.416000
  1 1 1      -7  -34    8 o    2.927000      0.7375000       3.832000 1.168000       2.022000      0.9009000       1.811000       1.475000
  1 1 1      -7  -34    9 o    2.347000      0.7002000       2.461000 1.034000       2.234000      0.9450000      0.2271000       1.400000
  1 1 1      -7  -34   10 o    2.049000      0.6515000       1.965000 0.9029000       2.133000      0.9396000     -0.1682000       1.303000
  1 1 1      -7  -34   11 o    3.405000      0.7823000       3.714000 1.085000       3.095000       1.127000      0.6186000       1.565000
  1 1 1      -7  -34   12 o    2.364000      0.9976000       2.364000 0.9976000                  ?              ?              ?              ?
  1 1 1      -7  -33    1 o    4.380000      0.7068000       5.343000 0.9986000       3.416000       1.001000       1.928000       1.414000
  1 1 1      -7  -33    2 o    2.980000      0.7707000       2.997000 1.153000       2.963000       1.023000      0.3401000E-01   1.541000
  1 1 1      -7  -33    3 o    3.473000      0.7362000       3.947000 1.084000       2.999000      0.9962000      0.9483000       1.472000
  1 1 1      -7  -33    4 o    2.664000      0.7232000       3.012000 1.096000       2.317000      0.9444000      0.6952000       1.446000
  1 1 1      -7  -33    5 o    3.670000      0.7014000       3.138000 1.119000       4.203000      0.8463000      -1.065000       1.403000
  1 1 1      -7  -33    6 o    2.385000      0.7086000       2.975000 1.144000       1.794000      0.8361000       1.182000       1.417000
  1 1 1      -7  -33    7 o    2.323000      0.7031000       2.143000 0.9837000       2.503000       1.005000     -0.3596000       1.406000
  1 1 1      -7  -33    8 o    3.269000      0.7767000       3.258000 1.133000       3.279000       1.063000     -0.2058000E-01   1.553000
  1 1 1      -7  -33    9 o    3.620000      0.7240000       3.011000 1.097000       4.228000      0.9454000      -1.218000       1.448000
  1 1 1      -7  -33   10 o    2.169000      0.6534000       1.795000 0.8521000       2.542000      0.9907000     -0.7473000       1.307000
  1 1 1      -7  -33   11 o    2.762000      0.7318000       3.223000 1.096000       2.301000      0.9705000      0.9219000       1.464000
  1 1 1      -7  -33   12 o    1.799000      0.8509000       1.799000 0.8509000                  ?              ?              ?              ?
  1 1 1      -7  -33   13 o    2.119000      0.6671000       1.848000 0.8736000       2.390000       1.008000     -0.5424000       1.334000
  1 1 1      -7  -33   14 o    2.421000       1.010000                  ?       ?   2.421000       1.010000                  ?              ?
  1 1 1      -7  -33   15 o    3.291000      0.6939000       3.971000 0.9364000       2.610000       1.024000       1.360000       1.388000
  1 1 1      -7  -32    1 o    3.211000      0.6815000       3.886000 0.9827000       2.536000      0.9446000       1.350000       1.363000
  1 1 1      -7  -32    2 o    3.691000      0.6527000       3.096000 1.041000       4.287000      0.7875000      -1.191000       1.305000
  1 1 1      -7  -32    3 o    2.140000      0.6556000       2.411000 0.9998000       1.870000      0.8484000      0.5408000       1.311000
  1 1 1      -7  -32    4 o    2.561000      0.7030000       2.881000 1.060000       2.240000      0.9233000      0.6419000       1.406000
  1 1 1      -7  -32    5 o    3.403000      0.7109000       4.006000 1.030000       2.800000      0.9802000       1.207000       1.422000
  1 1 1      -7  -32    6 o    2.761000      0.7113000       2.372000 1.009000       3.150000       1.003000     -0.7776000       1.423000
  1 1 1      -7  -32    7 o    1.987000      0.6282000       2.223000 0.9626000       1.750000      0.8075000      0.4731000       1.256000
  1 1 1      -7  -32    8 o    2.774000      0.7295000       2.914000 1.082000       2.634000      0.9787000      0.2803000       1.459000
  1 1 1      -7  -32    9 o    3.372000      0.7278000       2.942000 1.113000       3.803000      0.9384000     -0.8607000       1.456000
  1 1 1      -7  -32   10 o    3.110000      0.7342000       2.689000 1.074000       3.532000       1.001000     -0.8427000       1.468000
  1 1 1      -7  -32   11 o    2.181000      0.6459000       1.653000 0.7945000       2.710000       1.019000      -1.058000       1.292000
  1 1 1      -7  -32   12 o    2.349000      0.6890000       2.770000 1.053000       1.928000      0.8884000      0.8421000       1.378000
  1 1 1      -7  -32   13 o    5.855000      0.5454000       5.775000 0.7921000       5.935000      0.7500000     -0.1598000       1.091000
  1 1 1      -7  -32   14 o    5.100000      0.5450000       4.792000 0.7891000       5.407000      0.7520000     -0.6152000       1.090000
  1 1 1      -7  -32   15 o    2.405000      0.6763000       2.380000 0.9597000       2.429000      0.9531000     -0.4905000E-01   1.353000
  1 1 1      -7  -32   16 o    1.893000      0.6047000       1.787000 0.8380000       1.999000      0.8719000     -0.2118000       1.209000
  1 1 1      -7  -32   17 o    1.639000      0.5481000       1.725000 0.8031000       1.553000      0.7461000      0.1711000       1.096000
  1 1 1      -7  -31    1 o    5.525000      0.5170000       5.232000 0.8397000       5.818000      0.6033000     -0.5862000       1.034000
  1 1 1      -7  -31    2 o    5.625000      0.4525000       5.434000 0.7211000       5.815000      0.5470000     -0.3801000      0.9051000
  1 1 1      -7  -31    3 o    2.511000      0.6628000       2.388000 0.9642000       2.634000      0.9096000     -0.2457000       1.326000
  1 1 1      -7  -31    4 o    1.900000      0.5881000       2.151000 0.9028000       1.649000      0.7538000      0.5022000       1.176000
  1 1 1      -7  -31    5 o    2.549000      0.6613000       2.708000 0.9866000       2.390000      0.8809000      0.3176000       1.323000
  1 1 1      -7  -31    6 o    3.765000      0.6389000       3.811000 0.9791000       3.719000      0.8210000      0.9120000E-01   1.278000
  1 1 1      -7  -31    7 o    3.986000      0.6331000       3.985000 0.9560000       3.986000      0.8302000     -0.6106000E-03   1.266000
  1 1 1      -7  -31    8 o    3.314000      0.6365000       4.160000 0.9078000       2.469000      0.8922000       1.691000       1.273000
  1 1 1      -7  -31    9 o    2.916000      0.7086000       3.051000 1.067000       2.781000      0.9327000      0.2704000       1.417000
  1 1 1      -7  -31   10 o    7.356000      0.3874000       7.275000 0.5822000       7.438000      0.5112000     -0.1630000      0.7748000
  1 1 1      -7  -31   11 o    7.168000      0.3932000       6.736000 0.6057000       7.601000      0.5015000     -0.8655000      0.7864000
  1 1 1      -7  -31   12 o    2.182000      0.6565000       2.246000 0.9547000       2.117000      0.9014000      0.1294000       1.313000
  1 1 1      -7  -31   13 o    4.281000      0.6659000       4.742000 0.9067000       3.820000      0.9756000      0.9217000       1.332000
  1 1 1      -7  -31   14 o    3.326000      0.7261000       3.399000 1.036000       3.252000       1.017000      0.1470000       1.452000
  1 1 1      -7  -31   15 o    4.545000      0.5929000       3.786000 1.007000       5.303000      0.6255000      -1.517000       1.186000
  1 1 1      -7  -31   16 o    3.504000      0.6956000       4.111000 0.9894000       2.897000      0.9780000       1.214000       1.391000
  1 1 1      -7  -31   17 o    2.196000      0.6411000       2.070000 0.8959000       2.323000      0.9174000     -0.2526000       1.282000
  1 1 1      -7  -31   18 o    1.744000      0.5687000       1.599000 0.7636000       1.890000      0.8430000     -0.2913000       1.137000
  1 1 1      -7  -31   19 o    2.765000      0.6490000       3.550000 0.9543000       1.980000      0.8797000       1.570000       1.298000
  1 1 1      -7  -30    1 o    5.033000      0.5036000       4.065000 0.8592000       6.001000      0.5254000      -1.936000       1.007000
  1 1 1      -7  -30    2 o    2.595000      0.6265000       2.651000 0.9271000       2.539000      0.8431000      0.1116000       1.253000
  1 1 1      -7  -30    3 o    2.222000      0.6033000       2.679000 0.9401000       1.765000      0.7564000      0.9145000       1.207000
  1 1 1      -7  -30    4 o    2.312000      0.6085000       3.081000 0.9874000       1.543000      0.7116000       1.538000       1.217000
  1 1 1      -7  -30    5 o    2.262000      0.6328000       2.491000 0.9616000       2.034000      0.8229000      0.4567000       1.266000
  1 1 1      -7  -30    6 o    3.017000      0.6059000       3.103000 0.9223000       2.931000      0.7859000      0.1717000       1.212000
  1 1 1      -7  -30    7 o    2.353000      0.6115000       2.150000 0.9030000       2.557000      0.8247000     -0.4071000       1.223000
  1 1 1      -7  -30    8 o    2.980000      0.6461000       3.441000 0.9730000       2.519000      0.8503000      0.9226000       1.292000
  1 1 1      -7  -30    9 o    2.149000      0.6067000       2.180000 0.8995000       2.119000      0.8144000      0.6158000E-01   1.213000
  1 1 1      -7  -30   10 o    3.218000      0.6632000       3.478000 0.9542000       2.957000      0.9214000      0.5214000       1.326000
  1 1 1      -7  -30   11 o    4.005000      0.5698000       3.669000 0.8952000       4.342000      0.7053000     -0.6725000       1.140000
  1 1 1      -7  -30   12 o    4.207000      0.5691000       4.152000 0.8368000       4.262000      0.7716000     -0.1099000       1.138000
  1 1 1      -7  -30   13 o    2.059000      0.9053000       2.059000 0.9053000                  ?              ?              ?              ?
  1 1 1      -7  -30   14 o    2.312000      0.6566000       2.368000 0.9521000       2.256000      0.9045000      0.1120000       1.313000
  1 1 1      -7  -30   15 o    2.076000      0.5996000       1.597000 0.7467000       2.555000      0.9383000     -0.9577000       1.199000
  1 1 1      -7  -30   16 o    2.399000      0.6580000       2.761000 1.000000       2.036000      0.8551000      0.7249000       1.316000
  1 1 1      -7  -30   17 o    3.150000      0.6682000       2.785000 0.9881000       3.516000      0.8996000     -0.7318000       1.336000
  1 1 1      -7  -30   18 o    2.237000      0.6281000       2.643000 0.9434000       1.831000      0.8294000      0.8111000       1.256000
  1 1 1      -7  -30   19 o    3.486000      0.6410000       3.871000 0.8970000       3.101000      0.9159000      0.7700000       1.282000
  1 1 1      -7  -30   20 o    2.262000      0.6530000       2.226000 0.9216000       2.298000      0.9254000     -0.7213000E-01   1.306000
  1 1 1      -7  -30   21 o    2.258000      0.6456000       1.869000 0.8483000       2.647000      0.9735000     -0.7786000       1.291000
  1 1 1      -7  -29    1 f    3.054000      0.5452000       3.332000 0.8204000       2.776000      0.7184000      0.5555000       1.090000
  1 1 1      -7  -29    2 o    2.335000      0.5707000       2.104000 0.8709000       2.565000      0.7378000     -0.4607000       1.141000
  1 1 1      -7  -29    3 o    2.982000      0.7783000       2.361000 0.8686000       3.603000       1.292000      -1.242000       1.557000
  1 1 1      -7  -29    4 o    4.925000      0.6055000       4.501000 0.5486000       5.348000       1.080000     -0.8474000       1.211000
  1 1 1      -7  -29    5 o    3.549000      0.7775000       4.252000 1.131000       2.846000       1.067000       1.405000       1.555000
  1 1 1      -7  -29    6 o    4.049000      0.6756000       5.015000 0.8688000       3.083000       1.035000       1.932000       1.351000
  1 1 1      -7  -29    7 o    4.664000      0.6610000       4.035000 1.004000       5.292000      0.8599000      -1.257000       1.322000
  1 1 1      -7  -29    8 f    2.278000      0.6834000       2.704000 1.048000       1.852000      0.8772000      0.8522000       1.367000
  1 1 1      -7  -29    9 o    2.367000      0.6732000       3.023000 1.064000       1.712000      0.8246000       1.311000       1.346000
  1 1 1      -7  -29   10 o    6.261000      0.4614000       6.637000 0.5567000       5.885000      0.7360000      0.7515000      0.9229000
  1 1 1      -7  -29   11 f    4.440000      0.5620000       4.724000 0.6984000       4.156000      0.8808000      0.5682000       1.124000
  1 1 1      -7  -29   12 o    1.697000      0.5418000       1.601000 0.7530000       1.793000      0.7792000     -0.1923000       1.084000
  1 1 1      -7  -29   13 o    1.804000      0.8101000       1.804000 0.8101000                  ?              ?              ?              ?
  1 1 1      -7  -29   14 o    3.761000      0.6291000       3.754000 0.9180000       3.769000      0.8603000     -0.1451000E-01   1.258000
  1 1 1      -7  -29   15 o    3.204000      0.8607000                  ?       ?   3.204000      0.8607000                  ?              ?
  1 1 1      -7  -29   16 o    3.443000      0.6126000       3.760000 0.8882000       3.126000      0.8441000      0.6341000       1.225000
  1 1 1      -7  -29   17 o    4.526000      0.4871000       4.778000 0.6683000       4.275000      0.7088000      0.5034000      0.9742000
  1 1 1      -7  -29   18 o    3.757000      0.5767000       2.407000 0.9331000       5.106000      0.6780000      -2.698000       1.153000
  1 1 1      -7  -29   19 o    3.875000      0.6021000       4.482000 0.7481000       3.268000      0.9437000       1.214000       1.204000
  1 1 1      -7  -29   20 o    2.665000      0.6689000       2.698000 0.9665000       2.632000      0.9250000      0.6581000E-01   1.338000
  1 1 1      -7  -29   21 o    2.900000      0.5944000       3.957000 0.8479000       1.844000      0.8332000       2.113000       1.189000
  1 1 1      -7  -29   22 o    3.493000      0.6621000       3.611000 0.9044000       3.375000      0.9673000      0.2366000       1.324000
  1 1 1      -7  -29   23 o    2.498000       1.133000       2.498000 1.133000                  ?              ?              ?              ?
  1 1 1      -7  -28    1 o    4.675000      0.4737000       4.415000 0.7632000       4.935000      0.5613000     -0.5204000      0.9474000
  1 1 1      -7  -28    2 o    3.845000      0.5674000       4.180000 0.8608000       3.510000      0.7394000      0.6697000       1.135000
  1 1 1      -7  -28    3 o    2.249000      0.5783000       1.925000 0.8556000       2.572000      0.7781000     -0.6465000       1.157000
  1 1 1      -7  -28    4 o    2.708000      0.6369000       2.590000 0.9766000       2.826000      0.8179000     -0.2360000       1.274000
  1 1 1      -7  -28    5 o    2.142000      0.6004000       2.199000 0.9023000       2.085000      0.7924000      0.1143000       1.201000
  1 1 1      -7  -28    6 o    2.549000      0.5509000       2.088000 0.8554000       3.009000      0.6944000     -0.9205000       1.102000
  1 1 1      -7  -28    7 o    2.022000      0.5273000       2.787000 0.8719000       1.258000      0.5934000       1.529000       1.055000
  1 1 1      -7  -28    8 o    2.214000      0.5845000       2.377000 0.8676000       2.052000      0.7835000      0.3247000       1.169000
  1 1 1      -7  -28    9 o    7.615000      0.2676000       7.212000 0.4124000       8.018000      0.3411000     -0.8057000      0.5352000
  1 1 1      -7  -28   10 f    6.781000      0.2860000       6.934000 0.4149000       6.628000      0.3937000      0.3067000      0.5720000
  1 1 1      -7  -28   11 o    3.596000      0.4926000       3.583000 0.7326000       3.609000      0.6586000     -0.2597000E-01  0.9851000
  1 1 1      -7  -28   12 o    4.013000      0.4760000       3.772000 0.7354000       4.254000      0.6045000     -0.4822000      0.9519000
  1 1 1      -7  -28   13 o    1.636000      0.5098000       1.561000 0.7195000       1.712000      0.7225000     -0.1513000       1.020000
  1 1 1      -7  -28   14 o    2.767000      0.6622000       2.568000 0.8553000       2.966000       1.011000     -0.3982000       1.324000
  1 1 1      -7  -28   15 o    2.646000      0.6568000       2.280000 0.8473000       3.013000       1.004000     -0.7323000       1.314000
  1 1 1      -7  -28   16 o    3.651000      0.7116000       3.234000 0.9826000       4.068000       1.029000     -0.8338000       1.423000
  1 1 1      -7  -28   17 o    5.285000      0.5660000       5.980000 0.5504000       4.590000      0.9892000       1.390000       1.132000
  1 1 1      -7  -28   18 o    6.187000      0.3533000       6.496000 0.4728000       5.878000      0.5252000      0.6185000      0.7066000
  1 1 1      -7  -28   19 o    6.349000      0.3801000       6.624000 0.5143000       6.073000      0.5599000      0.5504000      0.7603000
  1 1 1      -7  -28   20 o    1.813000      0.5657000       1.456000 0.6966000       2.169000      0.8915000     -0.7127000       1.131000
  1 1 1      -7  -28   21 o    3.348000      0.6377000       3.325000 0.8809000       3.371000      0.9223000     -0.4692000E-01   1.275000
  1 1 1      -7  -28   22 o    2.760000      0.6318000       3.342000 0.8915000       2.177000      0.8955000       1.165000       1.264000
  1 1 1      -7  -28   23 o    2.024000      0.6066000       1.815000 0.8178000       2.232000      0.8962000     -0.4174000       1.213000
  1 1 1      -7  -28   24 o    2.385000      0.6633000       2.657000 0.9702000       2.113000      0.9047000      0.5441000       1.327000
  1 1 1      -7  -27    1 o    5.582000      0.3618000       5.324000 0.5737000       5.840000      0.4411000     -0.5162000      0.7237000
  1 1 1      -7  -27    2 o    4.957000      0.3933000       5.208000 0.6197000       4.706000      0.4846000      0.5024000      0.7867000
  1 1 1      -7  -27    3 o    6.953000      0.2843000       6.729000 0.4490000       7.177000      0.3488000     -0.4484000      0.5686000
  1 1 1      -7  -27    4 o    4.664000      0.4027000       4.134000 0.6766000       5.195000      0.4369000      -1.062000      0.8055000
  1 1 1      -7  -27    5 o    4.538000      0.4237000       3.856000 0.7310000       5.221000      0.4286000      -1.366000      0.8473000
  1 1 1      -7  -27    6 f    2.138000      0.5465000       3.003000 0.9088000       1.274000      0.6072000       1.729000       1.093000
  1 1 1      -7  -27    7 o    7.061000      0.2808000       6.949000 0.4400000       7.174000      0.3489000     -0.2247000      0.5616000
  1 1 1      -7  -27    8 o    3.339000      0.4741000       2.482000 0.7826000       4.197000      0.5354000      -1.714000      0.9483000
  1 1 1      -7  -27    9 o    3.207000      0.7084000       3.213000 1.111000       3.202000      0.8792000      0.1086000E-01   1.417000
  1 1 1      -7  -27   10 o    2.629000      0.6725000       3.243000 1.063000       2.015000      0.8234000       1.228000       1.345000
  1 1 1      -7  -27   11 o    2.699000      0.7172000       3.126000 1.119000       2.271000      0.8969000      0.8552000       1.434000
  1 1 1      -7  -27   12 o    3.282000      0.7389000       4.043000 1.166000       2.520000      0.9077000       1.524000       1.478000
  1 1 1      -7  -27   13 o    3.105000      0.7002000       2.679000 1.090000       3.532000      0.8790000     -0.8535000       1.400000
  1 1 1      -7  -27   14 o    2.444000      0.5987000       2.456000 0.8410000       2.431000      0.8524000      0.2525000E-01   1.197000
  1 1 1      -7  -27   15 o    6.712000      0.2910000       6.917000 0.4036000       6.506000      0.4194000      0.4116000      0.5820000
  1 1 1      -7  -27   16 o    5.887000      0.3371000       6.168000 0.4629000       5.606000      0.4902000      0.5613000      0.6743000
  1 1 1      -7  -27   17 o    3.546000      0.4975000       4.482000 0.5469000       2.610000      0.8313000       1.873000      0.9951000
  1 1 1      -7  -27   18 f    2.236000      0.6245000       1.415000 0.6683000       3.057000       1.055000      -1.642000       1.249000
  1 1 1      -7  -27   19 o    2.928000      0.7058000       2.843000 0.8952000       3.013000       1.091000     -0.1694000       1.412000
  1 1 1      -7  -27   20 o    3.159000      0.6906000       3.448000 0.8161000       2.871000       1.114000      0.5772000       1.381000
  1 1 1      -7  -27   21 o    3.674000      0.7328000       3.852000 0.8894000       3.496000       1.165000      0.3568000       1.466000
  1 1 1      -7  -27   22 o    6.068000      0.3986000       6.685000 0.5146000       5.451000      0.6089000       1.234000      0.7973000
  1 1 1      -7  -27   23 o    8.705000      0.3611000       8.655000 0.5556000       8.755000      0.4613000     -0.9979000E-01  0.7222000
  1 1 1      -7  -27   24 o    2.627000      0.6764000       2.782000 0.9566000       2.472000      0.9566000      0.3105000       1.353000
  1 1 1      -7  -27   25 o    2.986000      0.6587000       3.602000 0.9203000       2.370000      0.9426000       1.232000       1.317000
  1 1 1      -7  -26    1 o    5.389000      0.3254000       5.529000 0.5056000       5.249000      0.4100000      0.2808000      0.6509000
  1 1 1      -7  -26    2 o    1.669000      0.4901000       1.604000 0.7127000       1.734000      0.6728000     -0.1301000      0.9801000
  1 1 1      -7  -26    3 o    4.138000      0.4148000       3.571000 0.7214000       4.704000      0.4098000      -1.133000      0.8296000
  1 1 1      -7  -26    4 o    3.737000      0.4061000       3.632000 0.6479000       3.842000      0.4899000     -0.2100000      0.8122000
  1 1 1      -7  -26    5 o    8.469000      0.2413000       8.465000 0.3621000       8.473000      0.3191000     -0.8402000E-02  0.4827000
  1 1 1      -7  -26    6 o    2.982000      0.5216000       3.495000 0.7267000       2.469000      0.7483000       1.026000       1.043000
  1 1 1      -7  -26    7 o    3.986000      0.3906000       4.184000 0.5564000       3.789000      0.5484000      0.3950000      0.7812000
  1 1 1      -7  -26    8 o    13.07000      0.2368000       13.06000 0.3414000       13.09000      0.3281000     -0.2669000E-01  0.4735000
  1 1 1      -7  -26    9 o    7.793000      0.2570000       8.090000 0.3756000       7.495000      0.3508000      0.5954000      0.5139000
  1 1 1      -7  -26   10 f    2.881000      0.5463000       3.539000 0.7566000       2.223000      0.7883000       1.316000       1.093000
  1 1 1      -7  -26   11 o    2.547000      0.5260000       2.870000 0.7401000       2.223000      0.7475000      0.6472000       1.052000
  1 1 1      -7  -26   12 o    1.832000      0.5196000       1.816000 0.7186000       1.848000      0.7508000     -0.3174000E-01   1.039000
  1 1 1      -7  -26   13 o    1.533000      0.4793000       1.459000 0.6450000       1.606000      0.7091000     -0.1470000      0.9586000
  1 1 1      -7  -26   14 o    3.043000      0.6426000       3.043000 0.6426000                  ?              ?              ?              ?
  1 1 1      -7  -26   15 o    2.788000      0.7357000       2.791000 1.174000       2.785000      0.8875000      0.5881000E-02   1.471000
  1 1 1      -7  -26   16 o    3.332000      0.7103000       3.663000 1.048000       3.002000      0.9584000      0.6612000       1.421000
  1 1 1      -7  -26   17 o    3.047000      0.7570000       3.559000 1.206000       2.534000      0.9148000       1.025000       1.514000
  1 1 1      -7  -26   18 o    5.685000      0.3900000       5.670000 0.4273000       5.700000      0.6525000     -0.2944000E-01  0.7800000
  1 1 1      -7  -26   19 o    3.826000      0.4721000       3.549000 0.6663000       4.102000      0.6690000     -0.5535000      0.9442000
  1 1 1      -7  -26   20 o    1.488000      0.4786000       1.650000 0.7144000       1.325000      0.6371000      0.3256000      0.9573000
  1 1 1      -7  -26   21 o    1.672000      0.5337000       1.293000 0.6303000       2.052000      0.8615000     -0.7587000       1.067000
  1 1 1      -7  -26   22 o    3.421000      0.7417000       3.114000 0.9867000       3.729000       1.108000     -0.6151000       1.483000
  1 1 1      -7  -26   23 o    2.092000      0.6689000       1.869000 0.8469000       2.314000       1.036000     -0.4458000       1.338000
  1 1 1      -7  -26   24 o    3.076000      0.7848000       2.619000 1.028000       3.533000       1.186000     -0.9144000       1.570000
  1 1 1      -7  -26   25 o    2.925000      0.6543000       3.600000 0.9098000       2.249000      0.9404000       1.351000       1.309000
  1 1 1      -7  -26   26 o    2.448000      0.6457000       2.754000 0.9314000       2.142000      0.8946000      0.6129000       1.291000
  1 1 1      -7  -25    1 o    12.44000      0.2432000       12.96000 0.3685000       11.92000      0.3174000       1.041000      0.4864000
  1 1 1      -7  -25    2 o    6.026000      0.2589000       6.112000 0.4055000       5.939000      0.3221000      0.1724000      0.5179000
  1 1 1      -7  -25    3 o    7.077000      0.2334000       7.330000 0.3523000       6.825000      0.3063000      0.5055000      0.4669000
  1 1 1      -7  -25    4 o    1.795000      0.4939000       1.701000 0.7193000       1.889000      0.6772000     -0.1871000      0.9879000
  1 1 1      -7  -25    5 o    5.173000      0.2923000       5.108000 0.4552000       5.238000      0.3668000     -0.1305000      0.5846000
  1 1 1      -7  -25    6 o    1.653000      0.4618000       1.557000 0.6623000       1.749000      0.6438000     -0.1921000      0.9236000
  1 1 1      -7  -25    7 o    5.707000      0.2544000       5.398000 0.3782000       6.016000      0.3403000     -0.6180000      0.5088000
  1 1 1      -7  -25    8 o    1.759000      0.4819000       1.441000 0.6432000       2.078000      0.7179000     -0.6376000      0.9639000
  1 1 1      -7  -25    9 o    6.127000      0.2450000       6.566000 0.3477000       5.688000      0.3451000      0.8781000      0.4899000
  1 1 1      -7  -25   10 o    3.696000      0.3984000       3.517000 0.5852000       3.875000      0.5407000     -0.3571000      0.7968000
  1 1 1      -7  -25   11 o    7.959000      0.2426000       8.145000 0.3420000       7.773000      0.3443000      0.3718000      0.4853000
  1 1 1      -7  -25   12 o    10.61000      0.2350000       10.20000 0.3383000       11.01000      0.3263000     -0.8109000      0.4700000
  1 1 1      -7  -25   13 o    3.972000      0.3704000       4.443000 0.4690000       3.501000      0.5735000      0.9418000      0.7409000
  1 1 1      -7  -25   14 o    3.069000      0.6320000       3.069000 0.6320000                  ?              ?              ?              ?
  1 1 1      -7  -25   15 o    4.276000      0.3717000       4.499000 0.5126000       4.052000      0.5384000      0.4473000      0.7434000
  1 1 1      -7  -25   16 o    2.713000      0.7447000                  ?       ?   2.713000      0.7447000                  ?              ?
  1 1 1      -7  -25   17 f    4.460000      0.3692000       4.572000 0.4780000       4.349000      0.5628000      0.2230000      0.7384000
  1 1 1      -7  -25   18 o    2.907000      0.5281000       3.434000 0.6732000       2.381000      0.8138000       1.053000       1.056000
  1 1 1      -7  -25   19 o    3.760000      0.7865000       4.627000 1.234000       2.892000      0.9753000       1.734000       1.573000
  1 1 1      -7  -25   20 o    2.745000      0.7517000       3.756000 1.272000       1.734000      0.8007000       2.022000       1.503000
  1 1 1      -7  -25   21 o    2.515000      0.7426000       2.681000 1.135000       2.349000      0.9582000      0.3322000       1.485000
  1 1 1      -7  -25   22 o    3.600000      0.5811000       3.183000 0.8611000       4.018000      0.7806000     -0.8345000       1.162000
  1 1 1      -7  -25   23 o    3.626000      0.5537000       4.044000 0.6841000       3.208000      0.8709000      0.8368000       1.107000
  1 1 1      -7  -25   24 o    1.887000      0.5862000       2.138000 0.8815000       1.637000      0.7729000      0.5010000       1.172000
  1 1 1      -7  -25   25 o    2.515000      0.7437000       2.214000 0.9414000       2.817000       1.152000     -0.6028000       1.487000
  1 1 1      -7  -25   26 o    4.049000      0.7660000       3.876000 1.001000       4.221000       1.160000     -0.3453000       1.532000
  1 1 1      -7  -25   27 o    1.616000      0.5304000       1.231000 0.6105000       2.002000      0.8676000     -0.7714000       1.061000
  1 1 1      -7  -24    1 o    13.90000      0.2377000       14.23000 0.3536000       13.57000      0.3179000      0.6543000      0.4755000
  1 1 1      -7  -24    2 o    4.740000      0.2835000       4.605000 0.4580000       4.876000      0.3344000     -0.2717000      0.5671000
  1 1 1      -7  -24    3 o    6.546000      0.2331000       6.588000 0.3581000       6.503000      0.2985000      0.8479000E-01  0.4662000
  1 1 1      -7  -24    4 o    7.161000      0.2224000       7.378000 0.3331000       6.944000      0.2948000      0.4332000      0.4448000
  1 1 1      -7  -24    5 o    4.459000      0.3008000       5.148000 0.4018000       3.769000      0.4478000       1.379000      0.6016000
  1 1 1      -7  -24    6 o    3.373000      0.3432000       3.683000 0.4647000       3.064000      0.5052000      0.6189000      0.6864000
  1 1 1      -7  -24    7 f    4.166000      0.3021000       4.008000 0.4588000       4.323000      0.3931000     -0.3148000      0.6042000
  1 1 1      -7  -24    8 o    6.479000      0.2283000       6.901000 0.3144000       6.058000      0.3310000      0.8426000      0.4565000
  1 1 1      -7  -24    9 o    5.397000      0.2665000       4.795000 0.4031000       5.998000      0.3488000      -1.203000      0.5330000
  1 1 1      -7  -24   10 o    4.107000      0.3046000       3.845000 0.4372000       4.369000      0.4242000     -0.5240000      0.6092000
  1 1 1      -7  -24   11 o    6.490000      0.2416000       6.571000 0.3352000       6.410000      0.3479000      0.1616000      0.4831000
  1 1 1      -7  -24   12 o    10.49000      0.2230000       10.36000 0.3178000       10.62000      0.3130000     -0.2558000      0.4461000
  1 1 1      -7  -24   13 o    7.052000      0.2471000       7.101000 0.3550000       7.003000      0.3438000      0.9838000E-01  0.4942000
  1 1 1      -7  -24   14 o    3.028000      0.4441000       3.507000 0.5437000       2.550000      0.7024000      0.9564000      0.8882000
  1 1 1      -7  -24   15 o    2.407000      0.4985000       2.539000 0.6819000       2.275000      0.7274000      0.2643000      0.9970000
  1 1 1      -7  -24   16 o    3.578000      0.3830000       3.343000 0.5239000       3.813000      0.5588000     -0.4696000      0.7660000
  1 1 1      -7  -24   17 o    2.213000      0.5298000       2.516000 0.7391000       1.910000      0.7592000      0.6067000       1.060000
  1 1 1      -7  -24   18 o    5.894000      0.3076000       6.229000 0.4067000       5.560000      0.4615000      0.6695000      0.6151000
  1 1 1      -7  -24   19 o    4.152000      0.4283000       4.225000 0.5690000       4.079000      0.6404000      0.1455000      0.8567000
  1 1 1      -7  -24   20 o    4.232000      0.4559000       4.261000 0.6415000       4.203000      0.6480000      0.5827000E-01  0.9118000
  1 1 1      -7  -24   21 o    1.830000      0.5453000       1.919000 0.7854000       1.742000      0.7566000      0.1775000       1.091000
  1 1 1      -7  -24   22 f    2.207000      0.6812000       2.331000 1.039000       2.083000      0.8809000      0.2489000       1.362000
  1 1 1      -7  -24   23 o    2.362000      0.7333000       2.461000 1.104000       2.262000      0.9661000      0.1992000       1.467000
  1 1 1      -7  -24   24 o    2.350000      0.6150000       2.592000 0.8024000       2.108000      0.9321000      0.4834000       1.230000
  1 1 1      -7  -24   25 o    2.317000      0.6132000       1.709000 0.7707000       2.925000      0.9539000      -1.216000       1.226000
  1 1 1      -7  -24   26 o    2.621000      0.6453000       2.944000 0.9178000       2.297000      0.9075000      0.6467000       1.291000
  1 1 1      -7  -24   27 o    3.575000      0.6695000       4.292000 0.6715000       2.858000       1.158000       1.434000       1.339000
  1 1 1      -7  -24   28 o    3.781000      0.7469000       3.076000 1.010000       4.485000       1.101000      -1.409000       1.494000
  1 1 1      -7  -23    1 o    7.700000      0.2063000       7.675000 0.3181000       7.725000      0.2628000     -0.4907000E-01  0.4127000
  1 1 1      -7  -23    2 o    6.935000      0.2115000       6.949000 0.3263000       6.920000      0.2692000      0.2872000E-01  0.4231000
  1 1 1      -7  -23    3 o    4.754000      0.2794000       4.797000 0.4413000       4.711000      0.3428000      0.8560000E-01  0.5588000
  1 1 1      -7  -23    4 o    3.834000      0.3130000       3.958000 0.4432000       3.709000      0.4421000      0.2491000      0.6260000
  1 1 1      -7  -23    5 o    3.806000      0.2931000       3.632000 0.4336000       3.980000      0.3944000     -0.3471000      0.5862000
  1 1 1      -7  -23    6 o    3.691000      0.3184000       3.455000 0.4850000       3.928000      0.4126000     -0.4732000      0.6368000
  1 1 1      -7  -23    7 o    2.498000      0.4401000       2.696000 0.5897000       2.300000      0.6536000      0.3965000      0.8803000
  1 1 1      -7  -23    8 o    3.837000      0.2956000       3.895000 0.3913000       3.780000      0.4432000      0.1150000      0.5912000
  1 1 1      -7  -23    9 o    3.200000      0.3975000       3.287000 0.5057000       3.114000      0.6135000      0.1729000      0.7951000
  1 1 1      -7  -23   10 o    3.362000      0.3582000       3.547000 0.4445000       3.177000      0.5618000      0.3699000      0.7163000
  1 1 1      -7  -23   11 o    7.226000      0.2249000       7.236000 0.3139000       7.216000      0.3222000      0.2023000E-01  0.4498000
  1 1 1      -7  -23   12 o    3.418000      0.4150000       3.542000 0.5341000       3.294000      0.6354000      0.2479000      0.8300000
  1 1 1      -7  -23   13 o    4.722000      0.3036000       4.443000 0.4453000       5.001000      0.4129000     -0.5583000      0.6072000
  1 1 1      -7  -23   14 o    1.334000      0.4183000      0.9809000 0.4807000       1.687000      0.6848000     -0.7064000      0.8367000
  1 1 1      -7  -23   15 o    8.593000      0.2299000       8.800000 0.3223000       8.386000      0.3279000      0.4143000      0.4598000
  1 1 1      -7  -23   16 o    5.134000      0.2873000       5.247000 0.3753000       5.021000      0.4351000      0.2258000      0.5746000
  1 1 1      -7  -23   17 f    2.072000      0.4979000       2.378000 0.6828000       1.766000      0.7249000      0.6115000      0.9958000
  1 1 1      -7  -23   18 o    2.969000      0.4964000       2.807000 0.6987000       3.130000      0.7053000     -0.3236000      0.9928000
  1 1 1      -7  -23   19 o    3.414000      0.4864000       3.700000 0.5991000       3.129000      0.7664000      0.5710000      0.9728000
  1 1 1      -7  -23   20 o    3.244000      0.5287000       3.487000 0.6824000       3.001000      0.8078000      0.4861000       1.057000
  1 1 1      -7  -23   21 o    3.759000      0.4816000       3.746000 0.6593000       3.773000      0.7023000     -0.2699000E-01  0.9632000
  1 1 1      -7  -23   22 o    4.311000      0.4520000       4.394000 0.6004000       4.228000      0.6759000      0.1663000      0.9040000
  1 1 1      -7  -23   23 o    5.752000      0.3799000       6.279000 0.4843000       5.224000      0.5855000       1.056000      0.7599000
  1 1 1      -7  -23   24 o    2.111000      0.5744000       2.157000 0.7740000       2.065000      0.8488000      0.9186000E-01   1.149000
  1 1 1      -7  -23   25 o    2.238000      0.7110000       2.625000 1.123000       1.852000      0.8723000      0.7727000       1.422000
  1 1 1      -7  -23   26 o    2.196000      0.6494000       1.606000 0.7923000       2.786000       1.029000      -1.180000       1.299000
  1 1 1      -7  -23   27 o    2.443000      0.6293000       2.856000 0.9059000       2.031000      0.8738000      0.8251000       1.259000
  1 1 1      -7  -23   28 o    2.084000      0.5987000       2.548000 0.9239000       1.620000      0.7617000      0.9284000       1.197000
  1 1 1      -7  -23   29 o    2.879000      0.7359000       2.681000 0.8952000       3.077000       1.168000     -0.3966000       1.472000
  1 1 1      -7  -22    1 f    11.06000      0.1983000       11.04000 0.2928000       11.07000      0.2676000     -0.3369000E-01  0.3967000
  1 1 1      -7  -22    2 o    7.912000      0.2164000       8.125000 0.2801000       7.700000      0.3300000      0.4245000      0.4329000
  1 1 1      -7  -22    3 o    4.873000      0.2203000       4.890000 0.3389000       4.857000      0.2816000      0.3273000E-01  0.4406000
  1 1 1      -7  -22    4 o    2.522000      0.3771000       2.553000 0.5799000       2.490000      0.4820000      0.6265000E-01  0.7541000
  1 1 1      -7  -22    5 o    5.762000      0.1957000       5.835000 0.2829000       5.689000      0.2706000      0.1466000      0.3915000
  1 1 1      -7  -22    6 o    4.436000      0.2475000       4.298000 0.3441000       4.573000      0.3557000     -0.2750000      0.4949000
  1 1 1      -7  -22    7 o    9.673000      0.1974000       9.575000 0.2801000       9.771000      0.2783000     -0.1959000      0.3949000
  1 1 1      -7  -22    8 o    10.73000      0.2053000       10.66000 0.2933000       10.80000      0.2874000     -0.1383000      0.4106000
  1 1 1      -7  -22    9 o    2.534000      0.4428000       2.641000 0.5665000       2.427000      0.6807000      0.2138000      0.8856000
  1 1 1      -7  -22   10 o    1.626000      0.4360000       1.228000 0.5482000       2.023000      0.6781000     -0.7950000      0.8720000
  1 1 1      -7  -22   11 o    4.697000      0.2879000       4.801000 0.3816000       4.592000      0.4311000      0.2094000      0.5758000
  1 1 1      -7  -22   12 f    4.495000      0.3094000       4.999000 0.3894000       3.992000      0.4809000       1.007000      0.6188000
  1 1 1      -7  -22   13 o    4.590000      0.2833000       5.021000 0.3600000       4.159000      0.4375000      0.8622000      0.5666000
  1 1 1      -7  -22   14 o    5.402000      0.2745000       5.502000 0.3789000       5.303000      0.3973000      0.1995000      0.5490000
  1 1 1      -7  -22   15 o    9.609000      0.3555000       10.08000 0.5784000       9.141000      0.4135000      0.9375000      0.7110000
  1 1 1      -7  -22   16 o    6.758000      0.2598000       7.178000 0.3432000       6.338000      0.3901000      0.8399000      0.5196000
  1 1 1      -7  -22   17 o    2.434000      0.4942000       2.804000 0.6193000       2.065000      0.7704000      0.7392000      0.9884000
  1 1 1      -7  -22   18 o    3.584000      0.4538000       3.636000 0.6090000       3.533000      0.6729000      0.1029000      0.9075000
  1 1 1      -7  -22   19 o    7.647000      0.2618000       7.797000 0.3681000       7.497000      0.3724000      0.3004000      0.5236000
  1 1 1      -7  -22   20 f    10.99000      0.2462000       11.15000 0.3500000       10.84000      0.3465000      0.3071000      0.4925000
  1 1 1      -7  -22   21 o    13.93000      0.2615000       13.95000 0.3661000       13.91000      0.3736000      0.3839000E-01  0.5231000
  1 1 1      -7  -22   22 o    8.968000      0.2803000       8.742000 0.3849000       9.195000      0.4074000     -0.4528000      0.5605000
  1 1 1      -7  -22   23 o    4.587000      0.4241000       4.993000 0.5083000       4.182000      0.6791000      0.8108000      0.8482000
  1 1 1      -7  -22   24 o    2.658000      0.5884000       3.216000 0.8046000       2.100000      0.8587000       1.116000       1.177000
  1 1 1      -7  -22   25 o    2.483000      0.6190000       2.060000 0.8102000       2.906000      0.9362000     -0.8459000       1.238000
  1 1 1      -7  -22   26 o    2.326000      0.6271000       2.448000 0.8783000       2.204000      0.8953000      0.2445000       1.254000
  1 1 1      -7  -22   27 o    2.383000      0.7437000       2.624000 1.137000       2.142000      0.9594000      0.4821000       1.487000
  1 1 1      -7  -22   28 o    4.086000      0.7809000       3.571000 1.204000       4.602000      0.9946000      -1.031000       1.562000
  1 1 1      -7  -22   29 o    4.168000      0.5774000       4.020000 0.8403000       4.315000      0.7921000     -0.2950000       1.155000
  1 1 1      -7  -22   30 o    2.211000      0.6264000       2.326000 0.9015000       2.096000      0.8698000      0.2307000       1.253000
  1 1 1      -7  -21    1 o    6.461000      0.1943000       6.556000 0.2917000       6.365000      0.2567000      0.1912000      0.3885000
  1 1 1      -7  -21    2 o    2.843000      0.3472000       2.852000 0.5393000       2.833000      0.4375000      0.1892000E-01  0.6944000
  1 1 1      -7  -21    3 o    1.892000      0.4024000       1.746000 0.5965000       2.039000      0.5401000     -0.2921000      0.8047000
  1 1 1      -7  -21    4 o    2.386000      0.3707000       2.676000 0.4868000       2.096000      0.5591000      0.5798000      0.7414000
  1 1 1      -7  -21    5 o    1.728000      0.3882000       2.211000 0.5696000       1.244000      0.5275000      0.9670000      0.7764000
  1 1 1      -7  -21    6 o    6.635000      0.1900000       6.486000 0.2756000       6.783000      0.2617000     -0.2964000      0.3800000
  1 1 1      -7  -21    7 o    9.282000      0.1904000       9.240000 0.2686000       9.324000      0.2699000     -0.8365000E-01  0.3808000
  1 1 1      -7  -21    8 o    6.759000      0.1968000       6.751000 0.2758000       6.767000      0.2809000     -0.1581000E-01  0.3937000
  1 1 1      -7  -21    9 o    5.622000      0.2255000       5.598000 0.3157000       5.645000      0.3221000     -0.4691000E-01  0.4510000
  1 1 1      -7  -21   10 o    2.138000      0.4472000       1.842000 0.6111000       2.434000      0.6530000     -0.5918000      0.8943000
  1 1 1      -7  -21   11 o    4.111000      0.2960000       4.021000 0.4187000       4.200000      0.4184000     -0.1786000      0.5919000
  1 1 1      -7  -21   12 o    3.098000      0.3813000       2.986000 0.5322000       3.210000      0.5462000     -0.2244000      0.7626000
  1 1 1      -7  -21   13 o    6.326000      0.2475000       6.357000 0.3542000       6.295000      0.3459000      0.6198000E-01  0.4951000
  1 1 1      -7  -21   14 f    5.853000      0.2668000       6.435000 0.3503000       5.271000      0.4025000       1.164000      0.5336000
  1 1 1      -7  -21   15 o    1.798000      0.7010000       1.798000 0.7010000                  ?              ?              ?              ?
  1 1 1      -7  -21   16 o    6.962000      0.2462000       6.909000 0.3326000       7.016000      0.3631000     -0.1070000      0.4924000
  1 1 1      -7  -21   17 o    5.987000      0.4045000                  ?       ?   5.987000      0.4045000                  ?              ?
  1 1 1      -7  -21   18 o    4.798000      0.3381000       5.295000 0.4185000       4.302000      0.5310000      0.9934000      0.6761000
  1 1 1      -7  -21   19 o    11.26000      0.2383000       11.28000 0.3370000       11.24000      0.3371000      0.3878000E-01  0.4766000
  1 1 1      -7  -21   20 o    13.19000      0.2470000       13.16000 0.3482000       13.23000      0.3505000     -0.7283000E-01  0.4941000
  1 1 1      -7  -21   21 o    8.884000      0.2619000       8.862000 0.3555000       8.906000      0.3846000     -0.4468000E-01  0.5237000
  1 1 1      -7  -21   22 o    9.858000      0.2649000       9.985000 0.3709000       9.731000      0.3783000      0.2535000      0.5298000
  1 1 1      -7  -21   23 o    3.434000      0.5519000       3.071000 0.7946000       3.797000      0.7661000     -0.7253000       1.104000
  1 1 1      -7  -21   24 o    5.074000      0.3995000       4.327000 0.6053000       5.821000      0.5215000      -1.494000      0.7990000
  1 1 1      -7  -21   25 o    4.565000      0.4499000       4.170000 0.6271000       4.961000      0.6453000     -0.7910000      0.8999000
  1 1 1      -7  -21   26 o    3.693000      0.5593000       3.871000 0.7220000       3.516000      0.8546000      0.3552000       1.119000
  1 1 1      -7  -21   27 o    3.113000      0.6107000       3.695000 0.8094000       2.530000      0.9148000       1.165000       1.221000
  1 1 1      -7  -21   28 o    4.723000      0.4528000       4.548000 0.6130000       4.898000      0.6665000     -0.3503000      0.9056000
  1 1 1      -7  -21   29 o    3.913000      0.8261000       3.629000 1.254000       4.196000       1.076000     -0.5674000       1.652000
  1 1 1      -7  -21   30 o    2.774000      0.6781000       2.959000 0.8823000       2.590000       1.030000      0.3691000       1.356000
  1 1 1      -7  -21   31 o    3.319000      0.6449000       3.060000 0.8988000       3.578000      0.9250000     -0.5176000       1.290000
  1 1 1      -7  -20    1 o    4.099000      0.2396000       3.956000 0.3719000       4.242000      0.3021000     -0.2857000      0.4791000
  1 1 1      -7  -20    2 f    6.127000      0.1747000       6.273000 0.2652000       5.980000      0.2275000      0.2924000      0.3494000
  1 1 1      -7  -20    4 o    3.033000      0.3398000       2.710000 0.4992000       3.355000      0.4612000     -0.6455000      0.6796000
  1 1 1      -7  -20    5 f    6.863000      0.2248000       6.634000 0.3064000       7.092000      0.3289000     -0.4579000      0.4495000
  1 1 1      -7  -20    6 o    5.343000      0.2461000       5.275000 0.3207000       5.410000      0.3733000     -0.1351000      0.4921000
  1 1 1      -7  -20    7 o    3.188000      0.3742000       2.780000 0.5253000       3.596000      0.5331000     -0.8155000      0.7485000
  1 1 1      -7  -20    8 o    5.827000      0.2584000       5.395000 0.3376000       6.258000      0.3913000     -0.8633000      0.5168000
  1 1 1      -7  -20    9 o    5.848000      0.2162000       5.463000 0.3107000       6.232000      0.3008000     -0.7694000      0.4325000
  1 1 1      -7  -20   10 f    6.615000      0.2173000       6.455000 0.3009000       6.775000      0.3135000     -0.3193000      0.4346000
  1 1 1      -7  -20   11 o    9.758000      0.2061000       9.782000 0.2911000       9.734000      0.2919000      0.4791000E-01  0.4123000
  1 1 1      -7  -20   12 o    8.090000      0.2128000       7.894000 0.3001000       8.286000      0.3019000     -0.3919000      0.4257000
  1 1 1      -7  -20   13 o    9.676000      0.2134000       9.678000 0.2991000       9.673000      0.3045000      0.4868000E-02  0.4268000
  1 1 1      -7  -20   14 o    2.445000      0.4929000       2.822000 0.6609000       2.068000      0.7314000      0.7536000      0.9858000
  1 1 1      -7  -20   15 f    9.016000      0.2235000       9.508000 0.3169000       8.523000      0.3152000      0.9854000      0.4470000
  1 1 1      -7  -20   16 o    12.93000      0.2380000       13.19000 0.3428000       12.67000      0.3302000      0.5289000      0.4760000
  1 1 1      -7  -20   17 o    3.629000      0.3812000       3.605000 0.4580000       3.654000      0.6095000     -0.4919000E-01  0.7624000
  1 1 1      -7  -20   18 o    1.816000      0.4960000       2.013000 0.7020000       1.619000      0.7010000      0.3942000      0.9921000
  1 1 1      -7  -20   19 o    4.228000      0.3746000       4.467000 0.4654000       3.988000      0.5870000      0.4786000      0.7491000
  1 1 1      -7  -20   20 o    4.427000      0.3711000       4.654000 0.4817000       4.200000      0.5646000      0.4533000      0.7422000
  1 1 1      -7  -20   21 o    6.719000      0.2890000       6.779000 0.3953000       6.659000      0.4217000      0.1202000      0.5780000
  1 1 1      -7  -20   22 o    14.98000      0.2672000       15.06000 0.3768000       14.89000      0.3790000      0.1741000      0.5344000
  1 1 1      -7  -20   23 f    8.294000      0.2764000       8.121000 0.3856000       8.468000      0.3962000     -0.3473000      0.5529000
  1 1 1      -7  -20   24 o    7.191000      0.3083000       7.161000 0.4189000       7.222000      0.4526000     -0.6110000E-01  0.6167000
  1 1 1      -7  -20   25 o    4.477000      0.4584000       4.981000 0.5333000       3.973000      0.7457000       1.008000      0.9168000
  1 1 1      -7  -20   26 o    5.680000      0.3900000       5.629000 0.5227000       5.731000      0.5789000     -0.1014000      0.7799000
  1 1 1      -7  -20   27 o    3.792000      0.5734000       4.207000 0.7108000       3.377000      0.9000000      0.8303000       1.147000
  1 1 1      -7  -20   28 o    2.947000      0.6565000       2.802000 0.8900000       3.092000      0.9653000     -0.2900000       1.313000
  1 1 1      -7  -20   29 o    3.091000      0.6049000       2.355000 0.8780000       3.828000      0.8323000      -1.473000       1.210000
  1 1 1      -7  -20   30 o    2.869000      0.7673000       3.714000 1.218000       2.025000      0.9338000       1.689000       1.535000
  1 1 1      -7  -20   31 o    3.128000      0.7938000       3.558000 1.201000       2.697000       1.039000      0.8611000       1.588000
  1 1 1      -7  -20   32 o    2.454000      0.7012000       2.844000 1.097000       2.064000      0.8738000      0.7794000       1.402000
  1 1 1      -7  -19    1 o    4.439000      0.2774000       4.495000 0.4220000       4.383000      0.3601000      0.1117000      0.5548000
  1 1 1      -7  -19    2 o    5.709000      0.2688000       5.605000 0.4237000       5.813000      0.3310000     -0.2085000      0.5376000
  1 1 1      -7  -19    3 o    4.483000      0.1822000       4.798000 0.2689000       4.169000      0.2458000      0.6299000      0.3644000
  1 1 1      -7  -19    4 o    4.285000      0.2127000       4.442000 0.2855000       4.127000      0.3154000      0.3159000      0.4254000
  1 1 1      -7  -19    5 o    5.487000      0.1883000       5.627000 0.2623000       5.347000      0.2701000      0.2798000      0.3765000
  1 1 1      -7  -19    6 o    8.743000      0.1818000       8.878000 0.2596000       8.609000      0.2546000      0.2687000      0.3636000
  1 1 1      -7  -19    7 o    8.368000      0.1839000       8.384000 0.2595000       8.351000      0.2608000      0.3390000E-01  0.3679000
  1 1 1      -7  -19    8 o    5.182000      0.2259000       5.313000 0.3139000       5.051000      0.3249000      0.2614000      0.4518000
  1 1 1      -7  -19    9 o    13.04000      0.2941000       12.94000 0.4025000       13.13000      0.4288000     -0.1986000      0.5881000
  1 1 1      -7  -19   10 o    15.02000      0.3270000       15.63000 0.4649000       14.40000      0.4600000       1.235000      0.6541000
  1 1 1      -7  -19   11 o    9.451000      0.2650000       9.414000 0.3486000       9.488000      0.3992000     -0.7365000E-01  0.5300000
  1 1 1      -7  -19   12 o    7.505000      0.2738000       7.305000 0.3571000       7.706000      0.4151000     -0.4007000      0.5476000
  1 1 1      -7  -19   13 o    3.146000      0.3873000       3.286000 0.4918000       3.006000      0.5984000      0.2796000      0.7746000
  1 1 1      -7  -19   14 o    5.136000      0.2860000       5.467000 0.3740000       4.806000      0.4328000      0.6613000      0.5720000
  1 1 1      -7  -19   15 o    4.998000      0.2774000       5.182000 0.3644000       4.815000      0.4182000      0.3671000      0.5547000
  1 1 1      -7  -19   16 o    1.834000      0.4802000       2.050000 0.6786000       1.617000      0.6794000      0.4332000      0.9603000
  1 1 1      -7  -19   17 o    4.834000      0.3067000       4.842000 0.4185000       4.826000      0.4484000      0.1569000E-01  0.6134000
  1 1 1      -7  -19   18 o    8.741000      0.2320000       8.617000 0.3266000       8.865000      0.3296000     -0.2478000      0.4639000
  1 1 1      -7  -19   19 o    7.573000      0.2501000       7.263000 0.3584000       7.882000      0.3489000     -0.6196000      0.5002000
  1 1 1      -7  -19   20 o    6.648000      0.2626000       6.308000 0.3679000       6.988000      0.3747000     -0.6801000      0.5251000
  1 1 1      -7  -19   21 o    6.891000      0.2816000       6.481000 0.4025000       7.301000      0.3941000     -0.8208000      0.5633000
  1 1 1      -7  -19   22 o    5.938000      0.3198000       5.970000 0.4334000       5.906000      0.4704000      0.6473000E-01  0.6396000
  1 1 1      -7  -19   23 o    4.855000      0.3552000       4.940000 0.4692000       4.770000      0.5334000      0.1701000      0.7104000
  1 1 1      -7  -19   24 o    1.989000      0.5554000       1.684000 0.7302000       2.294000      0.8369000     -0.6096000       1.111000
  1 1 1      -7  -19   25 o    4.526000      0.4307000       4.851000 0.5092000       4.201000      0.6949000      0.6502000      0.8615000
  1 1 1      -7  -19   26 o    2.755000      0.5991000       2.911000 0.8046000       2.599000      0.8879000      0.3122000       1.198000
  1 1 1      -7  -19   27 o    4.157000      0.5318000       4.372000 0.6766000       3.942000      0.8207000      0.4297000       1.064000
  1 1 1      -7  -19   28 o    3.619000      0.5864000       3.203000 0.8478000       4.035000      0.8103000     -0.8319000       1.173000
  1 1 1      -7  -19   29 o    2.487000      0.6478000       2.657000 0.9034000       2.316000      0.9288000      0.3415000       1.296000
  1 1 1      -7  -19   30 f    2.435000      0.6363000       2.152000 0.8472000       2.717000      0.9495000     -0.5654000       1.273000
  1 1 1      -7  -19   31 o    2.091000      0.6015000       1.951000 0.8035000       2.230000      0.8952000     -0.2794000       1.203000
  1 1 1      -7  -19   32 o    2.276000      0.7015000       2.028000 0.9418000       2.523000       1.040000     -0.4947000       1.403000
  1 1 1      -7  -18    1 o    9.620000      0.1715000       9.555000 0.2479000       9.685000      0.2369000     -0.1297000      0.3429000
  1 1 1      -7  -18    2 o    11.93000      0.1899000       11.97000 0.2718000       11.89000      0.2654000      0.8252000E-01  0.3798000
  1 1 1      -7  -18    3 o    6.947000      0.1633000       6.750000 0.2362000       7.143000      0.2255000     -0.3924000      0.3265000
  1 1 1      -7  -18    4 o    4.399000      0.3331000       4.564000 0.5079000       4.234000      0.4312000      0.3305000      0.6663000
  1 1 1      -7  -18    5 o    13.49000      0.3088000       13.54000 0.4472000       13.44000      0.4260000      0.9198000E-01  0.6177000
  1 1 1      -7  -18    6 o    7.673000      0.2790000       7.721000 0.4282000       7.625000      0.3578000      0.9545000E-01  0.5580000
  1 1 1      -7  -18    7 o    9.792000      0.2826000       9.521000 0.4201000       10.06000      0.3781000     -0.5414000      0.5652000
  1 1 1      -7  -18    8 o    7.048000      0.3189000       6.343000 0.5145000       7.754000      0.3770000      -1.410000      0.6379000
  1 1 1      -7  -18    9 o    3.066000      0.3478000       2.931000 0.5120000       3.202000      0.4708000     -0.2715000      0.6956000
  1 1 1      -7  -18   10 o    2.150000      0.4574000       2.076000 0.6449000       2.224000      0.6487000     -0.1484000      0.9147000
  1 1 1      -7  -18   11 o    3.346000      0.3214000       3.715000 0.3814000       2.976000      0.5174000      0.7393000      0.6428000
  1 1 1      -7  -18   12 o    5.711000      0.2407000       5.745000 0.3329000       5.676000      0.3477000      0.6882000E-01  0.4814000
  1 1 1      -7  -18   13 o    3.751000      0.4728000       4.282000 0.4558000       3.221000      0.8284000       1.060000      0.9455000
  1 1 1      -7  -18   14 o    8.759000      0.2823000       8.709000 0.3687000       8.808000      0.4275000     -0.9951000E-01  0.5646000
  1 1 1      -7  -18   15 o    8.875000      0.2465000       8.963000 0.3805000       8.786000      0.3136000      0.1769000      0.4931000
  1 1 1      -7  -18   16 o    7.694000      0.2874000       7.902000 0.3267000       7.486000      0.4730000      0.4161000      0.5749000
  1 1 1      -7  -18   17 o    5.230000      0.3053000       5.561000 0.3980000       4.900000      0.4630000      0.6613000      0.6106000
  1 1 1      -7  -18   18 o    2.949000      0.4770000       2.354000 0.7159000       3.543000      0.6304000      -1.189000      0.9539000
  1 1 1      -7  -18   19 o    16.28000      0.2696000       16.48000 0.3869000       16.07000      0.3756000      0.4127000      0.5392000
  1 1 1      -7  -18   20 o    6.860000      0.2739000       6.884000 0.3790000       6.836000      0.3954000      0.4863000E-01  0.5478000
  1 1 1      -7  -18   21 f    4.910000      0.3396000       4.730000 0.4573000       5.090000      0.5022000     -0.3602000      0.6792000
  1 1 1      -7  -18   22 o    10.21000      0.2475000       10.19000 0.3446000       10.22000      0.3554000     -0.3371000E-01  0.4950000
  1 1 1      -7  -18   23 o    6.134000      0.3079000       5.897000 0.4348000       6.371000      0.4360000     -0.4739000      0.6157000
  1 1 1      -7  -18   24 o    6.643000      0.3321000       6.889000 0.4919000       6.398000      0.4464000      0.4911000      0.6643000
  1 1 1      -7  -18   25 o    8.537000      0.2859000       8.322000 0.3894000       8.752000      0.4188000     -0.4293000      0.5719000
  1 1 1      -7  -18   26 o    3.649000      0.5175000       2.238000 0.8252000       5.059000      0.6247000      -2.821000       1.035000
  1 1 1      -7  -18   27 o    4.547000      0.4671000       3.967000 0.6933000       5.126000      0.6262000      -1.159000      0.9342000
  1 1 1      -7  -18   28 o    2.997000      0.6140000       2.398000 0.8523000       3.596000      0.8840000      -1.197000       1.228000
  1 1 1      -7  -18   29 o    1.904000      0.5876000       1.792000 0.7908000       2.015000      0.8694000     -0.2227000       1.175000
  1 1 1      -7  -18   30 o    5.331000      0.4531000       5.915000 0.5502000       4.746000      0.7199000       1.169000      0.9061000
  1 1 1      -7  -18   31 o    1.592000      0.5241000       1.639000 0.7518000       1.545000      0.7305000      0.9388000E-01   1.048000
  1 1 1      -7  -18   32 o    1.724000      0.5557000       1.592000 0.7406000       1.856000      0.8287000     -0.2642000       1.111000
  1 1 1      -7  -18   33 o    3.455000      0.7803000       4.095000 1.122000       2.815000       1.085000       1.280000       1.561000
  1 1 1      -7  -17    1 o    15.51000      0.2263000       15.69000 0.3251000       15.33000      0.3149000      0.3681000      0.4526000
  1 1 1      -7  -17    2 f    12.25000      0.1913000       12.07000 0.2690000       12.44000      0.2720000     -0.3746000      0.3826000
  1 1 1      -7  -17    3 o    4.229000      0.2028000       4.257000 0.2770000       4.200000      0.2961000      0.5788000E-01  0.4055000
  1 1 1      -7  -17    4 o    9.261000      0.1748000       9.356000 0.2488000       9.165000      0.2457000      0.1908000      0.3497000
  1 1 1      -7  -17    5 o    4.723000      0.2074000       4.836000 0.2892000       4.609000      0.2975000      0.2267000      0.4149000
  1 1 1      -7  -17    6 o    3.798000      0.2452000       4.029000 0.3113000       3.567000      0.3788000      0.4619000      0.4903000
  1 1 1      -7  -17    7 f    2.674000      0.3368000       2.577000 0.4780000       2.772000      0.4745000     -0.1945000      0.6735000
  1 1 1      -7  -17    8 o    5.062000      0.2193000       5.343000 0.2949000       4.781000      0.3246000      0.5622000      0.4386000
  1 1 1      -7  -17    9 o    6.637000      0.3250000       6.459000 0.5123000       6.815000      0.4002000     -0.3558000      0.6501000
  1 1 1      -7  -17   10 o    10.14000      0.2981000       9.641000 0.4465000       10.65000      0.3952000      -1.006000      0.5962000
  1 1 1      -7  -17   11 o    10.07000      0.3068000       10.14000 0.4620000       9.997000      0.4039000      0.1465000      0.6136000
  1 1 1      -7  -17   12 o    6.877000      0.2122000       6.930000 0.2969000       6.825000      0.3034000      0.1051000      0.4245000
  1 1 1      -7  -17   13 o    5.728000      0.2363000       5.964000 0.3180000       5.492000      0.3497000      0.4725000      0.4727000
  1 1 1      -7  -17   14 o    10.82000      0.2161000       10.85000 0.3032000       10.79000      0.3080000      0.5902000E-01  0.4322000
  1 1 1      -7  -17   15 o    1.880000      0.4928000       2.123000 0.6661000       1.638000      0.7263000      0.4849000      0.9855000
  1 1 1      -7  -17   16 o    9.876000      0.3915000       9.876000 0.3915000                  ?              ?              ?              ?
  1 1 1      -7  -17   17 o    2.921000      0.5619000       3.263000 0.6714000       2.579000      0.9012000      0.6835000       1.124000
  1 1 1      -7  -17   18 o    4.189000      0.5262000                  ?       ?   4.189000      0.5262000                  ?              ?
  1 1 1      -7  -17   19 o    12.72000      0.2443000       12.61000 0.3492000       12.84000      0.3418000     -0.2233000      0.4886000
  1 1 1      -7  -17   20 o    2.576000      0.5157000       2.627000 0.7077000       2.525000      0.7504000      0.1024000       1.031000
  1 1 1      -7  -17   21 o    4.986000      0.3413000       5.023000 0.4580000       4.948000      0.5061000      0.7422000E-01  0.6826000
  1 1 1      -7  -17   22 o    6.886000      0.2857000       7.112000 0.3817000       6.659000      0.4252000      0.4532000      0.5714000
  1 1 1      -7  -17   23 o    2.872000      0.5304000       2.685000 0.7244000       3.058000      0.7748000     -0.3731000       1.061000
  1 1 1      -7  -17   24 o    2.562000      0.5643000       2.214000 0.7891000       2.910000      0.8070000     -0.6954000       1.129000
  1 1 1      -7  -17   25 o    9.915000      0.2712000       9.727000 0.3760000       10.10000      0.3910000     -0.3771000      0.5424000
  1 1 1      -7  -17   26 o    2.894000      0.5950000       2.471000 0.8237000       3.317000      0.8589000     -0.8452000       1.190000
  1 1 1      -7  -17   27 o    5.013000      0.4252000       5.175000 0.5482000       4.852000      0.6501000      0.3229000      0.8504000
  1 1 1      -7  -17   28 o    5.820000      0.3724000       5.725000 0.5068000       5.915000      0.5458000     -0.1899000      0.7448000
  1 1 1      -7  -17   29 o    3.631000      0.5912000       4.247000 0.7188000       3.015000      0.9387000       1.232000       1.182000
  1 1 1      -7  -17   30 o    4.057000      0.5808000       4.928000 0.6723000       3.186000      0.9473000       1.742000       1.162000
  1 1 1      -7  -17   31 o    4.566000      0.5021000       4.576000 0.7041000       4.557000      0.7159000      0.1878000E-01   1.004000
  1 1 1      -7  -17   32 f    3.574000      0.6093000       3.294000 0.8975000       3.855000      0.8243000     -0.5614000       1.219000
  1 1 1      -7  -17   33 o    2.116000      0.6173000       2.162000 0.8754000       2.071000      0.8705000      0.9167000E-01   1.235000
  1 1 1      -7  -16    1 o    8.911000      0.1598000       8.957000 0.2298000       8.864000      0.2222000      0.9335000E-01  0.3196000
  1 1 1      -7  -16    2 o    7.790000      0.1603000       7.718000 0.2262000       7.862000      0.2271000     -0.1446000      0.3205000
  1 1 1      -7  -16    3 o    11.34000      0.1848000       11.38000 0.2626000       11.29000      0.2601000      0.9599000E-01  0.3696000
  1 1 1      -7  -16    4 o    5.102000      0.1838000       4.938000 0.2555000       5.267000      0.2643000     -0.3282000      0.3676000
  1 1 1      -7  -16    5 o    6.119000      0.1814000       6.375000 0.2525000       5.864000      0.2604000      0.5116000      0.3627000
  1 1 1      -7  -16    6 o    2.273000      0.3768000       2.840000 0.4581000       1.707000      0.5983000       1.133000      0.7535000
  1 1 1      -7  -16    7 o    6.623000      0.1914000       6.593000 0.2720000       6.652000      0.2695000     -0.5887000E-01  0.3829000
  1 1 1      -7  -16    8 f    7.473000      0.1883000       7.253000 0.2670000       7.693000      0.2655000     -0.4399000      0.3766000
  1 1 1      -7  -16    9 o    9.273000      0.1960000       9.462000 0.2773000       9.085000      0.2770000      0.3779000      0.3919000
  1 1 1      -7  -16   10 o    5.181000      0.2268000       5.273000 0.3075000       5.090000      0.3335000      0.1830000      0.4536000
  1 1 1      -7  -16   11 o    6.327000      0.2167000       6.539000 0.2937000       6.115000      0.3188000      0.4249000      0.4334000
  1 1 1      -7  -16   12 f    5.812000      0.3705000       6.054000 0.5864000       5.571000      0.4531000      0.4827000      0.7411000
  1 1 1      -7  -16   13 o    7.278000      0.3294000       7.486000 0.5014000       7.070000      0.4274000      0.4157000      0.6589000
  1 1 1      -7  -16   14 o    2.145000      0.6022000       2.320000 0.9164000       1.969000      0.7814000      0.3511000       1.204000
  1 1 1      -7  -16   15 o    3.651000      0.3616000       3.544000 0.5049000       3.757000      0.5177000     -0.2131000      0.7231000
  1 1 1      -7  -16   16 o    8.471000      0.2896000       9.312000 0.5041000       7.630000      0.2850000       1.682000      0.5791000
  1 1 1      -7  -16   17 o    1.881000      0.5151000       2.024000 0.6814000       1.738000      0.7726000      0.2857000       1.030000
  1 1 1      -7  -16   18 o    5.361000      0.6270000                  ?       ?   5.361000      0.6270000                  ?              ?
  1 1 1      -7  -16   19 o    2.366000      0.5425000       2.994000 0.7621000       1.738000      0.7722000       1.257000       1.085000
  1 1 1      -7  -16   20 o    8.840000      0.2404000       8.853000 0.3398000       8.827000      0.3401000      0.2646000E-01  0.4807000
  1 1 1      -7  -16   21 o    3.640000      0.4337000       3.139000 0.6623000       4.140000      0.5602000      -1.001000      0.8675000
  1 1 1      -7  -16   22 o    6.099000      0.3041000       6.002000 0.4232000       6.195000      0.4368000     -0.1929000      0.6082000
  1 1 1      -7  -16   23 o    7.905000      0.2727000       7.786000 0.3880000       8.024000      0.3834000     -0.2380000      0.5455000
  1 1 1      -7  -16   24 o    3.628000      0.4689000       3.422000 0.6811000       3.834000      0.6447000     -0.4124000      0.9379000
  1 1 1      -7  -16   25 o    4.540000      0.4399000       4.149000 0.6549000       4.932000      0.5875000     -0.7827000      0.8798000
  1 1 1      -7  -16   26 o    5.415000      0.3637000       5.150000 0.5069000       5.680000      0.5218000     -0.5302000      0.7274000
  1 1 1      -7  -16   27 o    6.173000      0.3508000       6.160000 0.4795000       6.186000      0.5123000     -0.2579000E-01  0.7017000
  1 1 1      -7  -16   28 o    5.090000      0.4199000       4.638000 0.6029000       5.542000      0.5846000     -0.9030000      0.8398000
  1 1 1      -7  -16   29 o    4.549000      0.4987000       4.708000 0.6045000       4.391000      0.7935000      0.3170000      0.9975000
  1 1 1      -7  -16   30 o    6.286000      0.3950000       6.710000 0.5060000       5.863000      0.6068000      0.8476000      0.7901000
  1 1 1      -7  -16   31 o    1.975000      0.5913000       1.672000 0.7705000       2.278000      0.8972000     -0.6059000       1.183000
  1 1 1      -7  -16   32 o    2.318000      0.6301000       2.514000 0.9122000       2.123000      0.8695000      0.3914000       1.260000
  1 1 1      -7  -16   33 o    2.584000      0.6499000       2.785000 0.9233000       2.383000      0.9149000      0.4019000       1.300000
  1 1 1      -7  -16   34 o    3.695000      0.6106000       3.846000 0.8476000       3.544000      0.8792000      0.3022000       1.221000
  1 1 1      -7  -15    1 o    12.84000      0.1933000       12.73000 0.2723000       12.96000      0.2746000     -0.2279000      0.3867000
  1 1 1      -7  -15    2 o    3.858000      0.1999000       3.728000 0.2816000       3.987000      0.2839000     -0.2589000      0.3999000
  1 1 1      -7  -15    3 o    8.111000      0.1628000       8.188000 0.2289000       8.033000      0.2317000      0.1546000      0.3257000
  1 1 1      -7  -15    4 o    11.80000      0.1913000       11.59000 0.2676000       12.01000      0.2735000     -0.4232000      0.3826000
  1 1 1      -7  -15    5 o    12.59000      0.2021000       12.28000 0.2822000       12.90000      0.2893000     -0.6190000      0.4041000
  1 1 1      -7  -15    6 o    7.666000      0.1777000       7.451000 0.2507000       7.880000      0.2519000     -0.4290000      0.3554000
  1 1 1      -7  -15    7 o    7.457000      0.1856000       7.338000 0.2613000       7.575000      0.2635000     -0.2370000      0.3711000
  1 1 1      -7  -15    8 o    12.17000      0.2426000       12.10000 0.3886000       12.23000      0.2908000     -0.1282000      0.4853000
  1 1 1      -7  -15    9 f    8.457000      0.1934000       8.402000 0.2747000       8.511000      0.2724000     -0.1091000      0.3869000
  1 1 1      -7  -15   10 o    5.937000      0.2171000       5.523000 0.3161000       6.351000      0.2976000     -0.8274000      0.4342000
  1 1 1      -7  -15   11 o    5.131000      0.2436000       5.562000 0.3270000       4.700000      0.3611000      0.8619000      0.4872000
  1 1 1      -7  -15   12 o    8.737000      0.2042000       8.860000 0.2869000       8.613000      0.2906000      0.2464000      0.4084000
  1 1 1      -7  -15   13 o    5.282000      0.2478000       5.261000 0.3389000       5.304000      0.3616000     -0.4291000E-01  0.4956000
  1 1 1      -7  -15   14 o    7.863000      0.2929000       7.751000 0.4991000       7.975000      0.3066000     -0.2245000      0.5858000
  1 1 1      -7  -15   15 o    6.599000      0.3761000       6.604000 0.5791000       6.594000      0.4801000      0.1026000E-01  0.7522000
  1 1 1      -7  -15   16 o    4.514000      0.5208000       4.775000 0.7929000       4.253000      0.6756000      0.5213000       1.042000
  1 1 1      -7  -15   17 o    6.668000      0.2542000       6.628000 0.3558000       6.707000      0.3630000     -0.7882000E-01  0.5083000
  1 1 1      -7  -15   18 o    6.136000      0.2697000       6.240000 0.3729000       6.032000      0.3896000      0.2083000      0.5393000
  1 1 1      -7  -15   19 o    12.82000      0.3322000       12.52000 0.4469000       13.13000      0.4918000     -0.6105000      0.6645000
  1 1 1      -7  -15   20 o    15.68000      0.3663000       15.91000 0.5102000       15.45000      0.5257000      0.4565000      0.7325000
  1 1 1      -7  -15   21 o    4.467000      0.3650000       3.941000 0.5569000       4.994000      0.4720000      -1.052000      0.7300000
  1 1 1      -7  -15   22 o    5.643000      0.3122000       5.425000 0.4432000       5.860000      0.4398000     -0.4352000      0.6244000
  1 1 1      -7  -15   23 o    7.905000      0.2585000       7.799000 0.3570000       8.012000      0.3738000     -0.2129000      0.5169000
  1 1 1      -7  -15   24 o    7.128000      0.2899000       6.853000 0.4066000       7.403000      0.4134000     -0.5494000      0.5798000
  1 1 1      -7  -15   25 o    9.552000      0.2634000       9.366000 0.3712000       9.738000      0.3738000     -0.3725000      0.5268000
  1 1 1      -7  -15   26 o    6.660000      0.3289000       6.532000 0.4612000       6.789000      0.4691000     -0.2575000      0.6578000
  1 1 1      -7  -15   27 o    4.850000      0.4287000       4.303000 0.6326000       5.397000      0.5789000      -1.094000      0.8575000
  1 1 1      -7  -15   28 o    2.962000      0.5974000       2.184000 0.8344000       3.740000      0.8552000      -1.556000       1.195000
  1 1 1      -7  -15   29 o    2.835000      0.5803000       3.672000 0.7772000       1.999000      0.8621000       1.674000       1.161000
  1 1 1      -7  -15   30 o    6.570000      0.3756000       6.003000 0.5420000       7.136000      0.5202000      -1.134000      0.7513000
  1 1 1      -7  -15   31 o    6.646000      0.3796000       6.737000 0.5286000       6.554000      0.5449000      0.1821000      0.7592000
  1 1 1      -7  -15   32 o    4.702000      0.5059000       4.514000 0.7616000       4.891000      0.6661000     -0.3775000       1.012000
  1 1 1      -7  -15   33 o    2.427000      0.6385000       2.756000 0.9385000       2.098000      0.8661000      0.6583000       1.277000
  1 1 1      -7  -15   34 o    3.747000      0.5886000       2.777000 0.9382000       4.716000      0.7111000      -1.939000       1.177000
  1 1 1      -7  -14    1 o    17.30000      0.2459000       16.93000 0.3419000       17.66000      0.3536000     -0.7314000      0.4919000
  1 1 1      -7  -14    2 o    9.685000      0.1686000       9.708000 0.2403000       9.662000      0.2364000      0.4574000E-01  0.3371000
  1 1 1      -7  -14    3 o    5.495000      0.1739000       5.359000 0.2422000       5.631000      0.2495000     -0.2726000      0.3478000
  1 1 1      -7  -14    4 o    14.14000      0.2158000       14.00000 0.3034000       14.28000      0.3070000     -0.2814000      0.4316000
  1 1 1      -7  -14    5 o    10.45000      0.1848000       10.31000 0.2617000       10.59000      0.2609000     -0.2814000      0.3695000
  1 1 1      -7  -14    6 o    13.65000      0.2142000       14.00000 0.3075000       13.30000      0.2982000      0.6934000      0.4283000
  1 1 1      -7  -14    7 o    18.17000      0.2651000       18.23000 0.3760000       18.12000      0.3737000      0.1118000      0.5301000
  1 1 1      -7  -14    8 f    4.940000      0.2207000       4.760000 0.3224000       5.120000      0.3015000     -0.3596000      0.4415000
  1 1 1      -7  -14    9 f    11.00000      0.1991000       11.18000 0.2842000       10.83000      0.2789000      0.3465000      0.3982000
  1 1 1      -7  -14   10 o    13.93000      0.2256000       13.90000 0.3199000       13.95000      0.3182000     -0.5266000E-01  0.4512000
  1 1 1      -7  -14   11 o    16.92000      0.2566000       16.89000 0.3620000       16.95000      0.3638000     -0.6238000E-01  0.5132000
  1 1 1      -7  -14   12 f    6.248000      0.2214000       6.282000 0.3074000       6.213000      0.3187000      0.6924000E-01  0.4428000
  1 1 1      -7  -14   13 o    6.356000      0.2231000       6.127000 0.3181000       6.586000      0.3129000     -0.4595000      0.4463000
  1 1 1      -7  -14   14 o    3.806000      0.3606000       3.857000 0.5352000       3.756000      0.4833000      0.1009000      0.7211000
  1 1 1      -7  -14   15 o    5.247000      0.2672000       5.360000 0.3643000       5.134000      0.3910000      0.2259000      0.5344000
  1 1 1      -7  -14   16 o    2.287000      0.6287000       2.275000 0.9208000       2.300000      0.8563000     -0.2503000E-01   1.257000
  1 1 1      -7  -14   17 o    2.429000      0.6523000       2.802000 0.9966000       2.057000      0.8420000      0.7448000       1.305000
  1 1 1      -7  -14   18 o    6.335000      0.2518000       6.347000 0.3567000       6.323000      0.3555000      0.2471000E-01  0.5037000
  1 1 1      -7  -14   19 o    6.999000      0.3169000       6.865000 0.3772000       7.133000      0.5094000     -0.2681000      0.6338000
  1 1 1      -7  -14   20 o    8.307000      0.2422000       8.744000 0.3479000       7.871000      0.3370000      0.8728000      0.4844000
  1 1 1      -7  -14   21 o    9.622000      0.3302000       9.815000 0.4317000       9.429000      0.4997000      0.3857000      0.6604000
  1 1 1      -7  -14   22 o    5.368000      0.3259000       5.530000 0.4361000       5.207000      0.4844000      0.3234000      0.6518000
  1 1 1      -7  -14   23 o    10.75000      0.2469000       11.04000 0.3499000       10.45000      0.3485000      0.5810000      0.4938000
  1 1 1      -7  -14   24 o    8.856000      0.2675000       8.533000 0.3818000       9.178000      0.3747000     -0.6446000      0.5350000
  1 1 1      -7  -14   25 o    9.931000      0.2577000       10.17000 0.3580000       9.689000      0.3708000      0.4846000      0.5154000
  1 1 1      -7  -14   26 o    3.519000      0.5284000       3.289000 0.7563000       3.749000      0.7381000     -0.4601000       1.057000
  1 1 1      -7  -14   27 o    2.847000      0.5726000       2.075000 0.8152000       3.620000      0.8043000      -1.545000       1.145000
  1 1 1      -7  -14   28 o    8.570000      0.2969000       8.724000 0.3980000       8.416000      0.4406000      0.3079000      0.5938000
  1 1 1      -7  -14   29 o    4.816000      0.4639000       4.882000 0.6143000       4.749000      0.6953000      0.1330000      0.9278000
  1 1 1      -7  -14   30 o    3.399000      0.6389000       3.458000 0.8710000       3.339000      0.9350000      0.1187000       1.278000
  1 1 1      -7  -14   31 o    11.96000      0.2976000       11.42000 0.4288000       12.50000      0.4129000      -1.076000      0.5953000
  1 1 1      -7  -14   32 o    4.688000      0.5355000       3.754000 0.8539000       5.622000      0.6464000      -1.868000       1.071000
  1 1 1      -7  -14   33 o    3.208000      0.6531000       3.301000 0.9265000       3.116000      0.9206000      0.1847000       1.306000
  1 1 1      -7  -14   34 o    2.104000      0.6179000       2.023000 0.8537000       2.184000      0.8934000     -0.1618000       1.236000
  1 1 1      -7  -14   35 o    2.585000      0.6402000       2.773000 0.9109000       2.398000      0.8998000      0.3751000       1.280000
  1 1 1      -7  -13    1 o    18.69000      0.2627000       18.77000 0.3732000       18.61000      0.3697000      0.1653000      0.5253000
  1 1 1      -7  -13    2 f    30.78000      0.4186000       30.40000 0.5850000       31.17000      0.5989000     -0.7702000      0.8372000
  1 1 1      -7  -13    3 o    11.28000      0.1844000       11.29000 0.2614000       11.26000      0.2601000      0.3544000E-01  0.3688000
  1 1 1      -7  -13    4 o    6.614000      0.1703000       6.723000 0.2398000       6.506000      0.2419000      0.2169000      0.3406000
  1 1 1      -7  -13    5 o    11.15000      0.1893000       11.16000 0.2689000       11.13000      0.2665000      0.2461000E-01  0.3786000
  1 1 1      -7  -13    6 o    7.126000      0.1776000       6.951000 0.2514000       7.302000      0.2510000     -0.3513000      0.3553000
  1 1 1      -7  -13    7 o    13.54000      0.2153000       13.31000 0.3021000       13.76000      0.3068000     -0.4534000      0.4306000
  1 1 1      -7  -13    8 o    4.364000      0.2301000       4.359000 0.3195000       4.369000      0.3311000     -0.1030000E-01  0.4602000
  1 1 1      -7  -13    9 o    10.36000      0.1942000       10.57000 0.2758000       10.15000      0.2735000      0.4241000      0.3884000
  1 1 1      -7  -13   10 o    11.69000      0.2063000       11.60000 0.2895000       11.78000      0.2941000     -0.1819000      0.4126000
  1 1 1      -7  -13   11 o    7.260000      0.2073000       6.918000 0.2947000       7.602000      0.2915000     -0.6846000      0.4145000
  1 1 1      -7  -13   12 o    7.828000      0.2064000       7.747000 0.2866000       7.909000      0.2972000     -0.1628000      0.4129000
  1 1 1      -7  -13   13 o    5.742000      0.2273000       6.102000 0.3068000       5.382000      0.3355000      0.7200000      0.4546000
  1 1 1      -7  -13   14 o    8.785000      0.2537000       9.006000 0.2968000       8.564000      0.4116000      0.4424000      0.5074000
  1 1 1      -7  -13   15 o    4.558000      0.2905000       4.409000 0.4126000       4.707000      0.4090000     -0.2985000      0.5810000
  1 1 1      -7  -13   16 f    6.448000      0.2343000       6.417000 0.3288000       6.478000      0.3338000     -0.6048000E-01  0.4685000
  1 1 1      -7  -13   17 o    2.035000      0.6825000       2.035000 0.6825000                  ?              ?              ?              ?
  1 1 1      -7  -13   18 o    8.103000      0.3568000       8.605000 0.5396000       7.601000      0.4671000       1.004000      0.7137000
  1 1 1      -7  -13   19 f    2.931000      0.8896000                  ?       ?   2.931000      0.8896000                  ?              ?
  1 1 1      -7  -13   20 o    11.36000      0.2386000       11.29000 0.3393000       11.44000      0.3356000     -0.1513000      0.4772000
  1 1 1      -7  -13   21 o    4.389000      0.3737000       4.035000 0.5641000       4.742000      0.4901000     -0.7069000      0.7473000
  1 1 1      -7  -13   22 o    8.002000      0.3531000       8.134000 0.4516000       7.871000      0.5429000      0.2637000      0.7062000
  1 1 1      -7  -13   23 o    7.745000      0.2639000       7.479000 0.3772000       8.011000      0.3692000     -0.5325000      0.5278000
  1 1 1      -7  -13   24 o    10.34000      0.2566000       10.50000 0.3586000       10.18000      0.3670000      0.3199000      0.5132000
  1 1 1      -7  -13   25 f    3.516000      0.5049000       3.459000 0.7221000       3.573000      0.7060000     -0.1139000       1.010000
  1 1 1      -7  -13   26 o    6.212000      0.3093000       6.057000 0.4379000       6.367000      0.4369000     -0.3100000      0.6186000
  1 1 1      -7  -13   27 o    8.018000      0.2939000       7.357000 0.4322000       8.679000      0.3985000      -1.322000      0.5879000
  1 1 1      -7  -13   28 o    7.973000      0.3078000       7.477000 0.4515000       8.469000      0.4185000     -0.9926000      0.6156000
  1 1 1      -7  -13   29 o    9.724000      0.2870000       10.19000 0.4049000       9.257000      0.4067000      0.9325000      0.5739000
  1 1 1      -7  -13   30 o    2.323000      0.6620000       2.509000 0.8928000       2.138000      0.9777000      0.3709000       1.324000
  1 1 1      -7  -13   31 o    6.758000      0.3704000       6.895000 0.5035000       6.622000      0.5435000      0.2731000      0.7409000
  1 1 1      -7  -13   32 o    1.934000      0.5927000       1.955000 0.8376000       1.913000      0.8389000      0.4201000E-01   1.185000
  1 1 1      -7  -13   33 o    3.145000      0.6400000       2.835000 0.9332000       3.455000      0.8761000     -0.6203000       1.280000
  1 1 1      -7  -13   34 o    1.682000      0.5297000       1.245000 0.6161000       2.118000      0.8618000     -0.8731000       1.059000
  1 1 1      -7  -13   35 o    1.770000      0.5591000       1.506000 0.7135000       2.034000      0.8610000     -0.5281000       1.118000
  1 1 1      -7  -12    1 o    24.45000      0.3360000       25.17000 0.4882000       23.74000      0.4619000       1.430000      0.6721000
  1 1 1      -7  -12    2 o    8.014000      0.1603000       7.956000 0.2261000       8.073000      0.2272000     -0.1170000      0.3206000
  1 1 1      -7  -12    3 o    21.24000      0.2972000       21.13000 0.4185000       21.35000      0.4222000     -0.2131000      0.5945000
  1 1 1      -7  -12    4 o    30.23000      0.4128000       30.73000 0.5925000       29.73000      0.5750000       1.003000      0.8256000
  1 1 1      -7  -12    5 o    15.35000      0.2291000       15.61000 0.3279000       15.08000      0.3201000      0.5241000      0.4582000
  1 1 1      -7  -12    6 o    17.72000      0.2580000       17.76000 0.3662000       17.68000      0.3635000      0.8070000E-01  0.5159000
  1 1 1      -7  -12    7 o    22.91000      0.3215000       22.97000 0.4560000       22.84000      0.4534000      0.1294000      0.6431000
  1 1 1      -7  -12    8 o    7.611000      0.1876000       7.734000 0.2610000       7.487000      0.2696000      0.2473000      0.3752000
  1 1 1      -7  -12    9 o    5.195000      0.2112000       5.285000 0.2937000       5.106000      0.3036000      0.1790000      0.4224000
  1 1 1      -7  -12   10 o    9.877000      0.1945000       10.11000 0.2784000       9.640000      0.2716000      0.4748000      0.3889000
  1 1 1      -7  -12   11 o    14.43000      0.2303000       14.25000 0.3223000       14.61000      0.3290000     -0.3557000      0.4606000
  1 1 1      -7  -12   12 o    8.425000      0.2007000       8.672000 0.2830000       8.178000      0.2846000      0.4948000      0.4013000
  1 1 1      -7  -12   13 o    9.156000      0.2058000       9.155000 0.2927000       9.157000      0.2895000     -0.2132000E-02  0.4117000
  1 1 1      -7  -12   14 o    6.256000      0.2225000       5.983000 0.3185000       6.530000      0.3107000     -0.5467000      0.4450000
  1 1 1      -7  -12   15 o    8.837000      0.2141000       8.769000 0.3006000       8.906000      0.3050000     -0.1371000      0.4283000
  1 1 1      -7  -12   16 o    6.139000      0.2473000       6.008000 0.3508000       6.270000      0.3486000     -0.2617000      0.4946000
  1 1 1      -7  -12   17 o    4.261000      0.4436000       4.261000 0.4436000                  ?              ?              ?              ?
  1 1 1      -7  -12   18 o    9.554000      0.2237000       9.536000 0.3153000       9.572000      0.3173000     -0.3604000E-01  0.4473000
  1 1 1      -7  -12   19 o    2.752000      0.8858000                  ?       ?   2.752000      0.8858000                  ?              ?
  1 1 1      -7  -12   20 o    13.02000      0.3577000       12.69000 0.5262000       13.35000      0.4848000     -0.6544000      0.7155000
  1 1 1      -7  -12   21 f    7.227000      0.2641000       7.486000 0.3602000       6.968000      0.3863000      0.5173000      0.5282000
  1 1 1      -7  -12   22 o    1.951000      0.5291000       1.668000 0.7130000       2.235000      0.7820000     -0.5672000       1.058000
  1 1 1      -7  -12   23 o    4.483000      0.5530000       5.134000 0.5859000       3.833000      0.9380000       1.301000       1.106000
  1 1 1      -7  -12   24 o    8.616000      0.2572000       8.800000 0.3595000       8.433000      0.3680000      0.3667000      0.5144000
  1 1 1      -7  -12   25 o    5.310000      0.3516000       4.834000 0.5159000       5.786000      0.4780000     -0.9522000      0.7033000
  1 1 1      -7  -12   26 o    3.303000      0.5314000       2.942000 0.7884000       3.664000      0.7128000     -0.7224000       1.063000
  1 1 1      -7  -12   27 o    2.136000      0.5699000       2.499000 0.8390000       1.773000      0.7716000      0.7265000       1.140000
  1 1 1      -7  -12   28 o    5.334000      0.3902000       5.105000 0.5650000       5.562000      0.5384000     -0.4573000      0.7804000
  1 1 1      -7  -12   29 o    6.928000      0.3303000       6.765000 0.4705000       7.090000      0.4637000     -0.3249000      0.6606000
  1 1 1      -7  -12   30 o    4.413000      0.5339000       4.667000 0.6892000       4.159000      0.8157000      0.5088000       1.068000
  1 1 1      -7  -12   31 o    2.580000      0.6555000       2.491000 0.9135000       2.670000      0.9404000     -0.1782000       1.311000
  1 1 1      -7  -12   32 o    4.809000      0.4990000       4.634000 0.7302000       4.984000      0.6804000     -0.3500000      0.9981000
  1 1 1      -7  -12   33 o    6.410000      0.3956000       6.733000 0.5342000       6.086000      0.5837000      0.6474000      0.7913000
  1 1 1      -7  -12   34 o    2.249000      0.6197000       2.574000 0.9238000       1.925000      0.8262000      0.6491000       1.239000
  1 1 1      -7  -12   35 o    2.576000      0.6333000       2.128000 0.8790000       3.023000      0.9120000     -0.8952000       1.267000
  1 1 1      -7  -12   36 f    2.463000      0.6020000       1.849000 0.8119000       3.077000      0.8890000      -1.228000       1.204000
  1 1 1      -7  -11    1 o    7.910000      0.2161000       8.053000 0.2976000       7.767000      0.3134000      0.2857000      0.4322000
  1 1 1      -7  -11    2 o    10.68000      0.2108000       10.36000 0.3366000       10.99000      0.2538000     -0.6267000      0.4215000
  1 1 1      -7  -11    3 o    13.17000      0.2027000       12.96000 0.2835000       13.38000      0.2897000     -0.4226000      0.4054000
  1 1 1      -7  -11    4 o    17.99000      0.2587000       17.98000 0.3662000       18.00000      0.3654000     -0.1170000E-01  0.5173000
  1 1 1      -7  -11    5 o    20.68000      0.2921000       20.87000 0.4170000       20.49000      0.4090000      0.3886000      0.5841000
  1 1 1      -7  -11    6 o    10.30000      0.2536000       10.09000 0.3480000       10.50000      0.3689000     -0.4072000      0.5071000
  1 1 1      -7  -11    7 o    19.42000      0.2784000       19.75000 0.3993000       19.08000      0.3879000      0.6735000      0.5567000
  1 1 1      -7  -11    8 o    6.244000      0.1889000       5.929000 0.2683000       6.558000      0.2659000     -0.6282000      0.3777000
  1 1 1      -7  -11    9 o    19.59000      0.2829000       19.55000 0.3989000       19.63000      0.4013000     -0.8625000E-01  0.5658000
  1 1 1      -7  -11   10 o    7.964000      0.1923000       8.005000 0.2679000       7.923000      0.2758000      0.8222000E-01  0.3845000
  1 1 1      -7  -11   11 o    15.02000      0.2347000       15.19000 0.3344000       14.86000      0.3295000      0.3332000      0.4694000
  1 1 1      -7  -11   12 o    10.10000      0.2001000       10.22000 0.2825000       9.986000      0.2835000      0.2292000      0.4002000
  1 1 1      -7  -11   13 o    10.44000      0.2063000       10.60000 0.2916000       10.29000      0.2921000      0.3089000      0.4127000
  1 1 1      -7  -11   14 o    14.51000      0.2853000       14.68000 0.4634000       14.34000      0.3331000      0.3453000      0.5707000
  1 1 1      -7  -11   15 o    7.348000      0.2140000       7.180000 0.3063000       7.515000      0.2990000     -0.3345000      0.4280000
  1 1 1      -7  -11   16 o    8.593000      0.2156000       8.302000 0.3059000       8.883000      0.3040000     -0.5814000      0.4313000
  1 1 1      -7  -11   17 o    12.76000      0.2340000       12.45000 0.3251000       13.07000      0.3366000     -0.6278000      0.4679000
  1 1 1      -7  -11   18 o    4.983000      0.2892000       4.881000 0.4169000       5.085000      0.4010000     -0.2039000      0.5785000
  1 1 1      -7  -11   19 o    5.174000      0.3019000       5.445000 0.4157000       4.904000      0.4378000      0.5414000      0.6038000
  1 1 1      -7  -11   20 o    13.38000      0.3586000       12.82000 0.5251000       13.95000      0.4886000      -1.134000      0.7173000
  1 1 1      -7  -11   21 o    5.195000      0.4876000       5.847000 0.7208000       4.543000      0.6570000       1.304000      0.9753000
  1 1 1      -7  -11   22 o    11.99000      0.2435000       12.11000 0.3462000       11.87000      0.3424000      0.2335000      0.4869000
  1 1 1      -7  -11   23 o    2.211000      0.5920000       1.851000 0.7028000       2.572000      0.9528000     -0.7210000       1.184000
  1 1 1      -7  -11   24 o    4.954000      0.4943000       4.716000 0.6680000       5.192000      0.7287000     -0.4760000      0.9886000
  1 1 1      -7  -11   25 o    3.789000      0.4684000       3.628000 0.6891000       3.950000      0.6345000     -0.3213000      0.9368000
  1 1 1      -7  -11   26 o    8.532000      0.2722000       8.083000 0.3856000       8.982000      0.3844000     -0.8981000      0.5444000
  1 1 1      -7  -11   27 o    2.587000      0.5719000       2.113000 0.8078000       3.061000      0.8097000     -0.9483000       1.144000
  1 1 1      -7  -11   28 o    3.139000      0.5973000       3.429000 0.8279000       2.849000      0.8613000      0.5806000       1.195000
  1 1 1      -7  -11   29 o    2.136000      0.5934000       2.350000 0.8609000       1.921000      0.8170000      0.4284000       1.187000
  1 1 1      -7  -11   30 o    3.869000      0.5647000       4.226000 0.7161000       3.512000      0.8734000      0.7139000       1.129000
  1 1 1      -7  -11   31 o    4.740000      0.4744000       4.677000 0.6608000       4.802000      0.6809000     -0.1254000      0.9489000
  1 1 1      -7  -11   32 o    2.267000      0.6167000       1.883000 0.8171000       2.650000      0.9239000     -0.7665000       1.233000
  1 1 1      -7  -11   33 o    5.886000      0.4283000       6.236000 0.5839000       5.536000      0.6266000      0.6998000      0.8565000
  1 1 1      -7  -11   34 o    2.342000      0.5996000       1.751000 0.8040000       2.933000      0.8896000      -1.182000       1.199000
  1 1 1      -7  -11   35 o    2.048000      0.6074000       1.887000 0.8292000       2.210000      0.8877000     -0.3226000       1.215000
  1 1 1      -7  -11   36 o    3.284000      0.5913000       2.443000 0.9206000       4.125000      0.7424000      -1.681000       1.183000
  1 1 1      -7  -10    1 o    10.67000      0.1727000       10.65000 0.2441000       10.68000      0.2443000     -0.2475000E-01  0.3453000
  1 1 1      -7  -10    2 o    19.23000      0.3818000       19.26000 0.5390000       19.20000      0.5410000      0.5466000E-01  0.7637000
  1 1 1      -7  -10    3 o    25.22000      0.4905000       25.64000 0.7042000       24.79000      0.6831000      0.8480000      0.9811000
  1 1 1      -7  -10    4 o    17.18000      0.3496000       17.07000 0.4900000       17.30000      0.4989000     -0.2267000      0.6993000
  1 1 1      -7  -10    5 o    13.43000      0.2086000       13.31000 0.2937000       13.56000      0.2964000     -0.2537000      0.4172000
  1 1 1      -7  -10    6 o    3.168000      0.2719000       3.436000 0.3477000       2.899000      0.4180000      0.5378000      0.5437000
  1 1 1      -7  -10    7 o    20.50000      0.2914000       20.70000 0.4154000       20.30000      0.4088000      0.4033000      0.5828000
  1 1 1      -7  -10    8 o    7.799000      0.1822000       8.168000 0.2552000       7.430000      0.2600000      0.7382000      0.3643000
  1 1 1      -7  -10    9 o    11.31000      0.2360000       11.59000 0.3833000       11.02000      0.2756000      0.5702000      0.4721000
  1 1 1      -7  -10   10 o    16.38000      0.2481000       16.55000 0.3539000       16.21000      0.3477000      0.3373000      0.4961000
  1 1 1      -7  -10   11 o    15.60000      0.2404000       15.56000 0.3390000       15.65000      0.3411000     -0.8722000E-01  0.4809000
  1 1 1      -7  -10   12 o    12.48000      0.2138000       12.46000 0.3005000       12.51000      0.3043000     -0.5390000E-01  0.4276000
  1 1 1      -7  -10   13 f    8.484000      0.2020000       8.687000 0.2840000       8.281000      0.2874000      0.4057000      0.4040000
  1 1 1      -7  -10   14 o    9.678000      0.2094000       9.253000 0.2955000       10.10000      0.2969000     -0.8501000      0.4188000
  1 1 1      -7  -10   15 o    4.550000      0.2844000       4.495000 0.3990000       4.605000      0.4053000     -0.1107000      0.5688000
  1 1 1      -7  -10   16 o    6.659000      0.2323000       6.418000 0.3265000       6.899000      0.3305000     -0.4813000      0.4645000
  1 1 1      -7  -10   17 f    8.197000      0.2215000       8.226000 0.3085000       8.168000      0.3179000      0.5819000E-01  0.4430000
  1 1 1      -7  -10   18 o    8.437000      0.2315000       8.770000 0.3224000       8.104000      0.3323000      0.6658000      0.4630000
  1 1 1      -7  -10   19 o    3.008000      0.4683000       3.228000 0.6407000       2.788000      0.6831000      0.4404000      0.9366000
  1 1 1      -7  -10   20 o    14.16000      0.2531000       13.87000 0.3586000       14.45000      0.3572000     -0.5786000      0.5062000
  1 1 1      -7  -10   21 o    15.36000      0.3782000       15.50000 0.5557000       15.21000      0.5132000      0.2916000      0.7564000
  1 1 1      -7  -10   22 o    7.912000      0.2555000       7.742000 0.3647000       8.081000      0.3580000     -0.3385000      0.5110000
  1 1 1      -7  -10   23 o    2.635000      0.5373000       2.931000 0.7318000       2.339000      0.7869000      0.5923000       1.075000
  1 1 1      -7  -10   24 o    6.245000      0.4164000       6.590000 0.5272000       5.901000      0.6446000      0.6883000      0.8327000
  1 1 1      -7  -10   25 o    2.782000      0.6614000       3.036000 0.8739000       2.529000      0.9929000      0.5071000       1.323000
  1 1 1      -7  -10   26 f    3.627000      0.4747000       3.462000 0.6992000       3.792000      0.6421000     -0.3293000      0.9493000
  1 1 1      -7  -10   27 o    2.427000      0.5960000       2.268000 0.8241000       2.585000      0.8612000     -0.3173000       1.192000
  1 1 1      -7  -10   28 o    2.780000      0.5357000       1.792000 0.7680000       3.767000      0.7470000      -1.976000       1.071000
  1 1 1      -7  -10   29 o    5.822000      0.3880000       5.181000 0.5887000       6.463000      0.5055000      -1.282000      0.7759000
  1 1 1      -7  -10   30 o    2.430000      0.6283000       2.234000 0.8721000       2.626000      0.9046000     -0.3921000       1.257000
  1 1 1      -7  -10   31 f    4.121000      0.5495000       4.176000 0.7375000       4.065000      0.8148000      0.1103000       1.099000
  1 1 1      -7  -10   32 o    3.527000      0.6088000       4.068000 0.7672000       2.985000      0.9455000       1.083000       1.218000
  1 1 1      -7  -10   33 o    3.578000      0.6305000       3.382000 0.9228000       3.774000      0.8595000     -0.3916000       1.261000
  1 1 1      -7  -10   34 o    4.837000      0.4706000       4.261000 0.7488000       5.414000      0.5703000      -1.153000      0.9412000
  1 1 1      -7  -10   35 o    2.373000      0.6236000       2.009000 0.8491000       2.737000      0.9134000     -0.7282000       1.247000
  1 1 1      -7  -10   36 o    2.893000      0.6102000       2.231000 0.8806000       3.554000      0.8449000      -1.323000       1.220000
  1 1 1      -7   -9    1 o    8.493000      0.2224000       8.656000 0.3241000       8.330000      0.3046000      0.3254000      0.4448000
  1 1 1      -7   -9    2 o    22.38000      0.3100000       22.75000 0.4446000       22.02000      0.4322000      0.7279000      0.6200000
  1 1 1      -7   -9    3 o    4.572000      0.1774000       4.728000 0.2490000       4.416000      0.2526000      0.3124000      0.3547000
  1 1 1      -7   -9    4 o    5.057000      0.1649000       5.255000 0.2311000       4.858000      0.2353000      0.3964000      0.3298000
  1 1 1      -7   -9    5 o    3.721000      0.3126000       3.811000 0.3986000       3.632000      0.4818000      0.1791000      0.6253000
  1 1 1      -7   -9    6 o    8.349000      0.2355000       8.819000 0.3306000       7.880000      0.3355000      0.9392000      0.4710000
  1 1 1      -7   -9    7 o    16.99000      0.2493000       16.85000 0.3502000       17.12000      0.3550000     -0.2726000      0.4986000
  1 1 1      -7   -9    8 o    20.53000      0.2931000       20.72000 0.4175000       20.34000      0.4116000      0.3770000      0.5863000
  1 1 1      -7   -9    9 o    7.774000      0.1841000       7.616000 0.2600000       7.932000      0.2608000     -0.3164000      0.3682000
  1 1 1      -7   -9   10 o    18.75000      0.2733000       18.74000 0.3869000       18.76000      0.3862000     -0.2006000E-01  0.5466000
  1 1 1      -7   -9   11 o    9.202000      0.1888000       9.488000 0.2670000       8.917000      0.2670000      0.5704000      0.3776000
  1 1 1      -7   -9   12 o    2.673000      0.3724000       2.731000 0.5101000       2.616000      0.5427000      0.1150000      0.7448000
  1 1 1      -7   -9   13 o    9.930000      0.1999000       9.776000 0.2807000       10.08000      0.2848000     -0.3083000      0.3999000
  1 1 1      -7   -9   14 o    8.696000      0.2029000       8.652000 0.2875000       8.739000      0.2863000     -0.8709000E-01  0.4057000
  1 1 1      -7   -9   15 o    6.307000      0.2216000       6.049000 0.3176000       6.564000      0.3091000     -0.5152000      0.4432000
  1 1 1      -7   -9   16 o    5.401000      0.2482000       5.521000 0.3416000       5.281000      0.3602000      0.2403000      0.4964000
  1 1 1      -7   -9   17 o    10.52000      0.2194000       10.27000 0.3078000       10.77000      0.3127000     -0.5015000      0.4388000
  1 1 1      -7   -9   18 o    9.627000      0.3169000       9.627000 0.3169000                  ?              ?              ?              ?
  1 1 1      -7   -9   19 o    1.893000      0.4908000       2.163000 0.7156000       1.622000      0.6718000      0.5411000      0.9815000
  1 1 1      -7   -9   20 o    6.281000      0.3762000                  ?       ?   6.281000      0.3762000                  ?              ?
  1 1 1      -7   -9   21 o    11.03000      0.3477000       10.89000 0.5179000       11.18000      0.4641000     -0.2834000      0.6954000
  1 1 1      -7   -9   22 o    11.38000      0.3498000       12.17000 0.5143000       10.58000      0.4742000       1.589000      0.6995000
  1 1 1      -7   -9   23 o    7.874000      0.2568000       7.952000 0.3571000       7.797000      0.3692000      0.1557000      0.5137000
  1 1 1      -7   -9   24 o    4.151000      0.4135000       4.343000 0.5657000       3.960000      0.6034000      0.3823000      0.8271000
  1 1 1      -7   -9   25 o    5.570000      0.4286000       5.241000 0.5819000       5.899000      0.6293000     -0.6582000      0.8571000
  1 1 1      -7   -9   26 o    9.006000      0.2614000       9.137000 0.3660000       8.876000      0.3732000      0.2607000      0.5227000
  1 1 1      -7   -9   27 o    3.921000      0.4699000       3.930000 0.6545000       3.911000      0.6744000      0.1977000E-01  0.9398000
  1 1 1      -7   -9   28 o    7.032000      0.3065000       6.535000 0.4473000       7.528000      0.4191000     -0.9924000      0.6130000
  1 1 1      -7   -9   29 o    1.896000      0.5572000       1.711000 0.7449000       2.081000      0.8289000     -0.3692000       1.114000
  1 1 1      -7   -9   30 o    5.361000      0.4140000       5.625000 0.5620000       5.097000      0.6082000      0.5274000      0.8281000
  1 1 1      -7   -9   31 o    10.18000      0.2899000       10.36000 0.4019000       10.01000      0.4178000      0.3505000      0.5797000
  1 1 1      -7   -9   32 o    4.755000      0.4823000       4.655000 0.6899000       4.856000      0.6741000     -0.2007000      0.9646000
  1 1 1      -7   -9   33 o    8.173000      0.3189000       8.469000 0.4454000       7.876000      0.4567000      0.5929000      0.6379000
  1 1 1      -7   -9   34 o    1.857000      0.5748000       1.999000 0.8448000       1.715000      0.7795000      0.2835000       1.150000
  1 1 1      -7   -9   35 o    4.227000      0.5349000       4.020000 0.8055000       4.433000      0.7040000     -0.4134000       1.070000
  1 1 1      -7   -9   36 o    4.884000      0.4732000       4.706000 0.7022000       5.061000      0.6346000     -0.3543000      0.9465000
  1 1 1      -7   -8    1 o    16.69000      0.2365000       16.44000 0.3305000       16.95000      0.3385000     -0.5173000      0.4731000
  1 1 1      -7   -8    2 o    14.78000      0.3070000       14.70000 0.4356000       14.87000      0.4326000     -0.1692000      0.6139000
  1 1 1      -7   -8    3 o    17.41000      0.3522000       17.70000 0.5078000       17.12000      0.4882000      0.5795000      0.7044000
  1 1 1      -7   -8    4 o    24.28000      0.3356000       24.12000 0.4719000       24.43000      0.4772000     -0.3076000      0.6711000
  1 1 1      -7   -8    5 o    31.76000      0.4328000       31.44000 0.6066000       32.08000      0.6174000     -0.6444000      0.8655000
  1 1 1      -7   -8    6 o    24.32000      0.4765000       24.61000 0.6801000       24.03000      0.6676000      0.5753000      0.9530000
  1 1 1      -7   -8    7 o    11.23000      0.2652000       11.25000 0.3725000       11.21000      0.3774000      0.4468000E-01  0.5303000
  1 1 1      -7   -8    8 o    11.69000      0.2448000       11.94000 0.4044000       11.43000      0.2759000      0.5102000      0.4895000
  1 1 1      -7   -8    9 o    14.52000      0.2254000       14.31000 0.3149000       14.73000      0.3227000     -0.4113000      0.4509000
  1 1 1      -7   -8   10 o    7.977000      0.1814000       8.063000 0.2580000       7.890000      0.2550000      0.1728000      0.3627000
  1 1 1      -7   -8   11 o    12.27000      0.2074000       12.07000 0.2912000       12.46000      0.2953000     -0.3887000      0.4147000
  1 1 1      -7   -8   12 o    6.979000      0.1956000       6.762000 0.2765000       7.195000      0.2767000     -0.4332000      0.3912000
  1 1 1      -7   -8   13 o    10.50000      0.2010000       10.29000 0.2807000       10.71000      0.2877000     -0.4133000      0.4019000
  1 1 1      -7   -8   14 o    6.611000      0.2142000       6.761000 0.3028000       6.460000      0.3030000      0.3004000      0.4283000
  1 1 1      -7   -8   15 o    4.518000      0.2713000       4.601000 0.3723000       4.435000      0.3946000      0.1665000      0.5425000
  1 1 1      -7   -8   16 o    5.249000      0.2549000       5.219000 0.3597000       5.279000      0.3612000     -0.6006000E-01  0.5098000
  1 1 1      -7   -8   17 o    8.383000      0.2140000       8.351000 0.3008000       8.416000      0.3045000     -0.6563000E-01  0.4280000
  1 1 1      -7   -8   18 o    9.915000      0.3096000       9.915000 0.3096000                  ?              ?              ?              ?
  1 1 1      -7   -8   19 o    3.905000      0.3721000       4.577000 0.4331000       3.233000      0.6053000       1.344000      0.7443000
  1 1 1      -7   -8   20 o    1.549000      0.6586000                  ?       ?   1.549000      0.6586000                  ?              ?
  1 1 1      -7   -8   21 o    8.010000      0.2405000       7.780000 0.3462000       8.241000      0.3340000     -0.4614000      0.4811000
  1 1 1      -7   -8   22 o    9.295000      0.3616000       9.111000 0.5575000       9.479000      0.4608000     -0.3684000      0.7233000
  1 1 1      -7   -8   23 o    1.883000      0.5037000       1.411000 0.6499000       2.356000      0.7698000     -0.9449000       1.007000
  1 1 1      -7   -8   24 o    11.60000      0.2485000       11.22000 0.3507000       11.98000      0.3520000     -0.7530000      0.4969000
  1 1 1      -7   -8   25 o    3.555000      0.6349000       3.855000 0.7764000       3.254000       1.005000      0.6015000       1.270000
  1 1 1      -7   -8   26 o    4.775000      0.3846000       4.439000 0.5894000       5.111000      0.4944000     -0.6719000      0.7693000
  1 1 1      -7   -8   27 f    11.14000      0.2572000       11.05000 0.3632000       11.24000      0.3644000     -0.1934000      0.5145000
  1 1 1      -7   -8   28 o    5.060000      0.3962000       5.365000 0.5383000       4.755000      0.5816000      0.6094000      0.7925000
  1 1 1      -7   -8   29 o    9.303000      0.2850000       9.559000 0.3944000       9.047000      0.4116000      0.5125000      0.5701000
  1 1 1      -7   -8   30 o    5.523000      0.3946000       5.544000 0.5571000       5.502000      0.5590000      0.4239000E-01  0.7892000
  1 1 1      -7   -8   31 o    4.212000      0.5369000       4.308000 0.6819000       4.115000      0.8295000      0.1925000       1.074000
  1 1 1      -7   -8   32 o    7.309000      0.3409000       7.319000 0.4815000       7.299000      0.4826000      0.1940000E-01  0.6817000
  1 1 1      -7   -8   33 o    5.734000      0.4218000       5.670000 0.6049000       5.797000      0.5879000     -0.1268000      0.8436000
  1 1 1      -7   -8   34 o    2.602000      0.6625000       2.662000 0.9438000       2.542000      0.9300000      0.1201000       1.325000
  1 1 1      -7   -8   35 o    2.403000      0.6446000       2.259000 0.9014000       2.548000      0.9217000     -0.2894000       1.289000
  1 1 1      -7   -8   36 o    5.469000      0.4219000       5.482000 0.6130000       5.456000      0.5799000      0.2624000E-01  0.8439000
  1 1 1      -7   -8   37 o    2.196000      0.6217000       2.211000 0.8867000       2.181000      0.8716000      0.3001000E-01   1.243000
  1 1 1      -7   -7    1 o    9.190000      0.1563000       9.122000 0.2194000       9.258000      0.2226000     -0.1358000      0.3125000
  1 1 1      -7   -7    2 o    10.41000      0.1693000       10.24000 0.2363000       10.58000      0.2424000     -0.3394000      0.3385000
  1 1 1      -7   -7    3 o    26.00000      0.5038000       26.39000 0.7238000       25.60000      0.7010000      0.7898000       1.008000
  1 1 1      -7   -7    4 o    15.18000      0.3165000       14.89000 0.4433000       15.48000      0.4518000     -0.5826000      0.6330000
  1 1 1      -7   -7    5 o    11.60000      0.1874000       11.55000 0.2640000       11.65000      0.2661000     -0.9883000E-01  0.3749000
  1 1 1      -7   -7    6 o    5.487000      0.1697000       5.353000 0.2381000       5.620000      0.2419000     -0.2671000      0.3394000
  1 1 1      -7   -7    7 o    5.387000      0.2561000       5.612000 0.3465000       5.161000      0.3772000      0.4513000      0.5122000
  1 1 1      -7   -7    8 o    23.68000      0.4668000       22.94000 0.6402000       24.42000      0.6795000      -1.479000      0.9335000
  1 1 1      -7   -7    9 o    20.02000      0.2866000       20.18000 0.4081000       19.85000      0.4026000      0.3321000      0.5732000
  1 1 1      -7   -7   10 o    12.53000      0.2060000       12.76000 0.2950000       12.30000      0.2876000      0.4585000      0.4120000
  1 1 1      -7   -7   11 o    11.75000      0.2027000       12.18000 0.2925000       11.33000      0.2808000      0.8527000      0.4055000
  1 1 1      -7   -7   12 f    7.394000      0.1890000       7.274000 0.2688000       7.514000      0.2659000     -0.2404000      0.3781000
  1 1 1      -7   -7   13 o    9.909000      0.1991000       9.683000 0.2802000       10.14000      0.2829000     -0.4517000      0.3982000
  1 1 1      -7   -7   14 o    7.352000      0.1997000       7.377000 0.2758000       7.327000      0.2889000      0.5035000E-01  0.3994000
  1 1 1      -7   -7   15 o    10.16000      0.2057000       10.10000 0.2887000       10.22000      0.2929000     -0.1257000      0.4113000
  1 1 1      -7   -7   16 o    5.257000      0.2552000       5.281000 0.3573000       5.233000      0.3644000      0.4848000E-01  0.5104000
  1 1 1      -7   -7   17 o    8.301000      0.2117000       8.362000 0.2969000       8.240000      0.3019000      0.1223000      0.4234000
  1 1 1      -7   -7   18 o    6.595000      0.2359000       6.705000 0.3357000       6.485000      0.3315000      0.2198000      0.4718000
  1 1 1      -7   -7   19 o    4.225000      0.3338000       4.407000 0.4571000       4.043000      0.4865000      0.3636000      0.6676000
  1 1 1      -7   -7   20 o    1.949000      0.4946000       2.107000 0.6963000       1.791000      0.7026000      0.3161000      0.9892000
  1 1 1      -7   -7   21 o    7.125000      0.2498000       7.429000 0.3559000       6.821000      0.3507000      0.6076000      0.4997000
  1 1 1      -7   -7   22 o    8.838000      0.3441000       8.565000 0.5157000       9.111000      0.4558000     -0.5458000      0.6882000
  1 1 1      -7   -7   23 o    9.918000      0.3414000       9.605000 0.4985000       10.23000      0.4667000     -0.6261000      0.6828000
  1 1 1      -7   -7   24 o    17.71000      0.2863000       17.66000 0.4043000       17.75000      0.4056000     -0.8626000E-01  0.5727000
  1 1 1      -7   -7   25 f    14.31000      0.3645000       14.45000 0.5024000       14.16000      0.5283000      0.2875000      0.7291000
  1 1 1      -7   -7   26 o    15.56000      0.3849000       15.51000 0.5316000       15.61000      0.5568000     -0.1084000      0.7698000
  1 1 1      -7   -7   27 o    10.24000      0.2609000       10.22000 0.3698000       10.26000      0.3683000     -0.4231000E-01  0.5219000
  1 1 1      -7   -7   28 o    5.792000      0.3342000       5.725000 0.4719000       5.858000      0.4733000     -0.1328000      0.6684000
  1 1 1      -7   -7   29 o    4.186000      0.4840000       3.891000 0.7208000       4.481000      0.6462000     -0.5905000      0.9680000
  1 1 1      -7   -7   30 o    3.977000      0.5177000       3.508000 0.7958000       4.446000      0.6623000     -0.9382000       1.035000
  1 1 1      -7   -7   31 o    3.002000      0.6264000       3.451000 0.8299000       2.553000      0.9385000      0.8975000       1.253000
  1 1 1      -7   -7   32 o    10.16000      0.2973000       9.901000 0.4186000       10.41000      0.4223000     -0.5113000      0.5946000
  1 1 1      -7   -7   33 o    4.560000      0.5631000       3.574000 0.9248000       5.547000      0.6428000      -1.973000       1.126000
  1 1 1      -7   -7   34 f    3.043000      0.6252000       2.327000 0.9147000       3.760000      0.8526000      -1.433000       1.250000
  1 1 1      -7   -7   35 o    2.532000      0.6388000       2.797000 0.9227000       2.267000      0.8836000      0.5300000       1.278000
  1 1 1      -7   -7   36 o    4.672000      0.4884000       4.857000 0.6911000       4.488000      0.6903000      0.3685000      0.9768000
  1 1 1      -7   -7   37 o    4.436000      0.4967000       4.868000 0.6474000       4.005000      0.7533000      0.8633000      0.9933000
  1 1 1      -7   -6    1 o    5.659000      0.1378000       5.727000 0.1946000       5.591000      0.1950000      0.1359000      0.2755000
  1 1 1      -7   -6    2 o    4.365000      0.1556000       4.248000 0.2240000       4.482000      0.2159000     -0.2345000      0.3111000
  1 1 1      -7   -6    3 o    29.94000      0.4069000       29.61000 0.5689000       30.27000      0.5820000     -0.6665000      0.8139000
  1 1 1      -7   -6    4 o    19.76000      0.3925000       19.89000 0.5605000       19.63000      0.5497000      0.2654000      0.7851000
  1 1 1      -7   -6    5 o    15.48000      0.3218000       14.79000 0.4418000       16.18000      0.4681000      -1.394000      0.6436000
  1 1 1      -7   -6    6 o    18.32000      0.2615000       18.38000 0.3711000       18.25000      0.3684000      0.1351000      0.5229000
  1 1 1      -7   -6    7 o    31.06000      0.4235000       31.02000 0.5980000       31.11000      0.5999000     -0.9022000E-01  0.8470000
  1 1 1      -7   -6    8 o    8.876000      0.2397000       8.302000 0.3293000       9.450000      0.3484000      -1.148000      0.4794000
  1 1 1      -7   -6    9 o    10.87000      0.2628000       10.32000 0.3580000       11.43000      0.3849000      -1.103000      0.5257000
  1 1 1      -7   -6   10 o    12.55000      0.2060000       12.79000 0.2938000       12.31000      0.2889000      0.4727000      0.4120000
  1 1 1      -7   -6   11 o    18.05000      0.2654000       18.21000 0.3785000       17.89000      0.3722000      0.3234000      0.5308000
  1 1 1      -7   -6   12 o    16.43000      0.2479000       16.35000 0.3491000       16.52000      0.3521000     -0.1722000      0.4959000
  1 1 1      -7   -6   13 o    6.450000      0.2003000       6.162000 0.2889000       6.738000      0.2775000     -0.5763000      0.4006000
  1 1 1      -7   -6   14 f    6.916000      0.2024000       6.803000 0.2806000       7.028000      0.2918000     -0.2243000      0.4048000
  1 1 1      -7   -6   15 o    13.02000      0.2216000       13.02000 0.3118000       13.03000      0.3150000     -0.1064000E-01  0.4433000
  1 1 1      -7   -6   16 o    2.374000      0.4399000       2.276000 0.6084000       2.472000      0.6354000     -0.1963000      0.8797000
  1 1 1      -7   -6   17 o    11.40000      0.2159000       11.60000 0.3053000       11.21000      0.3053000      0.3865000      0.4317000
  1 1 1      -7   -6   18 o    8.635000      0.2204000       8.376000 0.3103000       8.894000      0.3130000     -0.5176000      0.4408000
  1 1 1      -7   -6   19 o    9.014000      0.2236000       8.525000 0.3174000       9.502000      0.3149000     -0.9765000      0.4471000
  1 1 1      -7   -6   20 o    6.552000      0.2527000       6.680000 0.3565000       6.423000      0.3583000      0.2570000      0.5054000
  1 1 1      -7   -6   21 o    4.707000      0.3236000       4.755000 0.4599000       4.660000      0.4552000      0.9455000E-01  0.6471000
  1 1 1      -7   -6   22 o    12.57000      0.3451000       12.86000 0.5079000       12.28000      0.4673000      0.5790000      0.6902000
  1 1 1      -7   -6   23 o    4.292000      0.5432000       4.401000 0.8038000       4.183000      0.7309000      0.2182000       1.086000
  1 1 1      -7   -6   24 o    14.27000      0.2584000       13.97000 0.3635000       14.56000      0.3675000     -0.5924000      0.5169000
  1 1 1      -7   -6   25 o    5.870000      0.4292000       5.480000 0.6014000       6.260000      0.6125000     -0.7800000      0.8584000
  1 1 1      -7   -6   26 o    20.73000      0.4517000       19.88000 0.6150000       21.58000      0.6618000      -1.702000      0.9035000
  1 1 1      -7   -6   27 o    3.696000      0.4856000       3.490000 0.7331000       3.901000      0.6371000     -0.4112000      0.9713000
  1 1 1      -7   -6   28 o    4.586000      0.4315000       4.080000 0.6687000       5.093000      0.5454000      -1.014000      0.8630000
  1 1 1      -7   -6   29 o    3.488000      0.5403000       3.900000 0.7099000       3.075000      0.8147000      0.8246000       1.081000
  1 1 1      -7   -6   30 o    6.299000      0.3510000       6.577000 0.4790000       6.021000      0.5133000      0.5559000      0.7020000
  1 1 1      -7   -6   31 o    6.041000      0.3784000       5.666000 0.5507000       6.416000      0.5190000     -0.7493000      0.7568000
  1 1 1      -7   -6   32 o    3.996000      0.5729000       3.972000 0.7907000       4.021000      0.8294000     -0.4808000E-01   1.146000
  1 1 1      -7   -6   33 o    3.025000      0.6358000       3.528000 0.8664000       2.523000      0.9309000       1.005000       1.272000
  1 1 1      -7   -6   34 f    4.071000      0.5606000       4.312000 0.7621000       3.830000      0.8224000      0.4824000       1.121000
  1 1 1      -7   -6   35 o    2.150000      0.5963000       1.727000 0.7809000       2.573000      0.9013000     -0.8466000       1.193000
  1 1 1      -7   -6   36 o    5.135000      0.4548000       4.627000 0.7089000       5.642000      0.5701000      -1.014000      0.9097000
  1 1 1      -7   -6   37 o    2.378000      0.6173000       2.765000 0.9054000       1.992000      0.8395000      0.7726000       1.235000
  1 1 1      -7   -5    1 o    19.88000      0.2752000       20.46000 0.3994000       19.31000      0.3787000       1.153000      0.5504000
  1 1 1      -7   -5    2 o    11.48000      0.1764000       11.34000 0.2469000       11.62000      0.2521000     -0.2784000      0.3529000
  1 1 1      -7   -5    3 f    3.114000      0.1902000       3.195000 0.2699000       3.033000      0.2680000      0.1619000      0.3803000
  1 1 1      -7   -5    4 o    16.07000      0.2315000       16.14000 0.3288000       16.01000      0.3259000      0.1265000      0.4629000
  1 1 1      -7   -5    6 f    23.21000      0.4557000       23.17000 0.6436000       23.25000      0.6452000     -0.7967000E-01  0.9113000
  1 1 1      -7   -5    7 o    23.52000      0.3265000       23.61000 0.4634000       23.42000      0.4602000      0.1902000      0.6531000
  1 1 1      -7   -5    8 o    26.29000      0.5130000       26.47000 0.7291000       26.11000      0.7219000      0.3649000       1.026000
  1 1 1      -7   -5    9 o    13.30000      0.2948000       13.73000 0.4229000       12.87000      0.4108000      0.8605000      0.5896000
  1 1 1      -7   -5   10 o    29.33000      0.4039000       29.04000 0.5652000       29.63000      0.5771000     -0.5948000      0.8077000
  1 1 1      -7   -5   11 o    7.992000      0.1815000       7.987000 0.2600000       7.996000      0.2534000     -0.8397000E-02  0.3631000
  1 1 1      -7   -5   12 o    7.892000      0.1867000       7.662000 0.2634000       8.123000      0.2645000     -0.4605000      0.3733000
  1 1 1      -7   -5   13 o    6.947000      0.1969000       6.902000 0.2794000       6.993000      0.2776000     -0.9057000E-01  0.3938000
  1 1 1      -7   -5   14 o    12.34000      0.2125000       12.31000 0.3006000       12.37000      0.3006000     -0.6336000E-01  0.4251000
  1 1 1      -7   -5   15 o    15.06000      0.2397000       15.21000 0.3422000       14.91000      0.3356000      0.2973000      0.4793000
  1 1 1      -7   -5   16 o    6.410000      0.2210000       6.109000 0.3201000       6.710000      0.3048000     -0.6015000      0.4420000
  1 1 1      -7   -5   17 o    5.559000      0.2433000       5.921000 0.3334000       5.198000      0.3545000      0.7229000      0.4867000
  1 1 1      -7   -5   18 o    8.281000      0.2190000       8.432000 0.3058000       8.130000      0.3137000      0.3027000      0.4381000
  1 1 1      -7   -5   19 o    10.59000      0.2208000       10.41000 0.3154000       10.76000      0.3091000     -0.3518000      0.4416000
  1 1 1      -7   -5   20 o    4.170000      0.3445000       4.224000 0.4921000       4.116000      0.4824000      0.1086000      0.6891000
  1 1 1      -7   -5   21 o    5.734000      0.2820000       5.750000 0.4084000       5.718000      0.3889000      0.3269000E-01  0.5639000
  1 1 1      -7   -5   22 o    7.811000      0.3584000       7.743000 0.5300000       7.879000      0.4826000     -0.1362000      0.7168000
  1 1 1      -7   -5   23 o    7.578000      0.3661000       7.859000 0.5312000       7.298000      0.5040000      0.5616000      0.7323000
  1 1 1      -7   -5   24 o    11.81000      0.2461000       11.37000 0.3482000       12.26000      0.3478000     -0.8841000      0.4922000
  1 1 1      -7   -5   25 o    9.677000      0.3533000       9.823000 0.4753000       9.531000      0.5227000      0.2923000      0.7065000
  1 1 1      -7   -5   26 o    19.38000      0.4326000       18.56000 0.5900000       20.20000      0.6328000      -1.647000      0.8652000
  1 1 1      -7   -5   27 o    8.439000      0.2697000       8.544000 0.3806000       8.334000      0.3823000      0.2103000      0.5395000
  1 1 1      -7   -5   28 f    8.695000      0.2778000       8.344000 0.3977000       9.047000      0.3879000     -0.7021000      0.5555000
  1 1 1      -7   -5   29 o    2.090000      0.5759000       2.092000 0.8134000       2.088000      0.8155000      0.3181000E-02   1.152000
  1 1 1      -7   -5   30 o    10.86000      0.2706000       10.79000 0.3795000       10.93000      0.3858000     -0.1421000      0.5411000
  1 1 1      -7   -5   31 o    2.520000      0.6186000       2.461000 0.8641000       2.579000      0.8854000     -0.1175000       1.237000
  1 1 1      -7   -5   32 o    4.453000      0.5111000       4.522000 0.7040000       4.384000      0.7411000      0.1386000       1.022000
  1 1 1      -7   -5   33 o    3.653000      0.6236000       3.696000 0.8743000       3.610000      0.8896000      0.8634000E-01   1.247000
  1 1 1      -7   -5   34 o    3.043000      0.6430000       2.954000 0.9118000       3.132000      0.9068000     -0.1779000       1.286000
  1 1 1      -7   -5   35 o    3.039000      0.6520000       3.032000 0.9183000       3.045000      0.9260000     -0.1394000E-01   1.304000
  1 1 1      -7   -5   36 o    4.194000      0.5255000       4.554000 0.7294000       3.834000      0.7568000      0.7201000       1.051000
  1 1 1      -7   -5   37 o    1.966000      0.5832000       2.203000 0.8774000       1.730000      0.7686000      0.4731000       1.166000
  1 1 1      -7   -4    1 o    4.929000      0.1318000       5.172000 0.1857000       4.685000      0.1871000      0.4871000      0.2636000
  1 1 1      -7   -4    2 o    7.557000      0.1395000       7.486000 0.1957000       7.629000      0.1990000     -0.1426000      0.2791000
  1 1 1      -7   -4    3 o    9.778000      0.1600000       9.723000 0.2255000       9.833000      0.2270000     -0.1098000      0.3200000
  1 1 1      -7   -4    4 o    8.429000      0.1882000       8.240000 0.2160000       8.617000      0.3082000     -0.3772000      0.3764000
  1 1 1      -7   -4    5 o    17.75000      0.2519000       17.26000 0.3481000       18.23000      0.3641000     -0.9768000      0.5037000
  1 1 1      -7   -4    6 o    13.04000      0.2824000       13.26000 0.4039000       12.82000      0.3947000      0.4368000      0.5647000
  1 1 1      -7   -4    7 o    21.07000      0.3656000       21.66000 0.6067000       20.48000      0.4083000       1.181000      0.7313000
  1 1 1      -7   -4    8 o    28.25000      0.3881000       28.37000 0.5510000       28.13000      0.5466000      0.2461000      0.7761000
  1 1 1      -7   -4    9 o    14.00000      0.3039000       14.28000 0.4350000       13.71000      0.4246000      0.5677000      0.6079000
  1 1 1      -7   -4   10 o    11.87000      0.1972000       11.47000 0.2731000       12.27000      0.2845000     -0.8002000      0.3944000
  1 1 1      -7   -4   11 o    21.28000      0.3035000       21.46000 0.4322000       21.11000      0.4262000      0.3452000      0.6070000
  1 1 1      -7   -4   12 o    14.97000      0.2321000       14.43000 0.3206000       15.50000      0.3358000      -1.072000      0.4643000
  1 1 1      -7   -4   13 o    1.707000      0.4189000       1.682000 0.5984000       1.732000      0.5864000     -0.5027000E-01  0.8378000
  1 1 1      -7   -4   14 o    11.91000      0.2090000       11.96000 0.2962000       11.87000      0.2950000      0.9606000E-01  0.4180000
  1 1 1      -7   -4   15 o    16.74000      0.2561000       16.93000 0.3657000       16.55000      0.3587000      0.3766000      0.5122000
  1 1 1      -7   -4   16 o    10.66000      0.2073000       10.51000 0.2921000       10.82000      0.2942000     -0.3140000      0.4146000
  1 1 1      -7   -4   17 o    8.155000      0.2083000       8.343000 0.2894000       7.967000      0.2996000      0.3764000      0.4165000
  1 1 1      -7   -4   18 o    6.167000      0.2401000       6.359000 0.3305000       5.974000      0.3483000      0.3852000      0.4801000
  1 1 1      -7   -4   19 o    9.199000      0.3122000       9.199000 0.3122000                  ?              ?              ?              ?
  1 1 1      -7   -4   20 o    5.817000      0.2634000       6.012000 0.3729000       5.622000      0.3720000      0.3895000      0.5267000
  1 1 1      -7   -4   21 o    6.361000      0.3614000                  ?       ?   6.361000      0.3614000                  ?              ?
  1 1 1      -7   -4   22 o    8.609000      0.3501000       8.642000 0.5210000       8.576000      0.4677000      0.6605000E-01  0.7001000
  1 1 1      -7   -4   23 o    4.089000      0.5683000       3.349000 0.9252000       4.830000      0.6603000      -1.481000       1.137000
  1 1 1      -7   -4   24 o    4.043000      0.3945000       4.011000 0.5713000       4.076000      0.5441000     -0.6496000E-01  0.7890000
  1 1 1      -7   -4   25 o    11.14000      0.3467000       11.38000 0.4754000       10.89000      0.5047000      0.4952000      0.6934000
  1 1 1      -7   -4   26 o    10.01000      0.3567000       10.74000 0.4936000       9.289000      0.5151000       1.446000      0.7134000
  1 1 1      -7   -4   27 o    16.02000      0.2765000       15.71000 0.3872000       16.32000      0.3948000     -0.6072000      0.5530000
  1 1 1      -7   -4   28 o    2.182000      0.5620000       2.536000 0.8251000       1.828000      0.7633000      0.7080000       1.124000
  1 1 1      -7   -4   29 o    2.715000      0.5922000       2.666000 0.8393000       2.764000      0.8356000     -0.9769000E-01   1.184000
  1 1 1      -7   -4   30 o    2.398000      0.6003000       2.686000 0.8698000       2.109000      0.8275000      0.5771000       1.201000
  1 1 1      -7   -4   31 o    5.004000      0.4218000       4.775000 0.6100000       5.234000      0.5827000     -0.4586000      0.8436000
  1 1 1      -7   -4   32 o    8.718000      0.3111000       8.793000 0.4282000       8.643000      0.4513000      0.1500000      0.6221000
  1 1 1      -7   -4   33 o    3.849000      0.5630000       4.531000 0.7005000       3.167000      0.8815000       1.364000       1.126000
  1 1 1      -7   -4   34 o    4.949000      0.4512000       4.902000 0.6417000       4.996000      0.6344000     -0.9404000E-01  0.9023000
  1 1 1      -7   -4   35 o    2.855000      0.6311000       2.559000 0.8995000       3.152000      0.8855000     -0.5932000       1.262000
  1 1 1      -7   -4   36 o    2.645000      0.6315000       2.426000 0.9042000       2.864000      0.8819000     -0.4384000       1.263000
  1 1 1      -7   -4   37 o    2.252000      0.6099000       2.515000 0.8951000       1.989000      0.8288000      0.5265000       1.220000
  1 1 1      -7   -3    1 f    12.71000      0.1868000       12.45000 0.2598000       12.98000      0.2684000     -0.5321000      0.3735000
  1 1 1      -7   -3    2 o    17.44000      0.3019000       17.77000 0.4986000       17.11000      0.3406000      0.6521000      0.6038000
  1 1 1      -7   -3    3 o    14.19000      0.2069000       14.35000 0.2952000       14.03000      0.2899000      0.3185000      0.4138000
  1 1 1      -7   -3    4 o    14.61000      0.2137000       14.07000 0.2931000       15.15000      0.3111000      -1.080000      0.4274000
  1 1 1      -7   -3    5 o    32.45000      0.4407000       32.75000 0.6280000       32.14000      0.6184000      0.6121000      0.8814000
  1 1 1      -7   -3    6 o    28.05000      0.5429000       28.71000 0.7847000       27.40000      0.7505000       1.304000       1.086000
  1 1 1      -7   -3    7 o    5.623000      0.1622000       5.768000 0.2263000       5.478000      0.2323000      0.2900000      0.3243000
  1 1 1      -7   -3    8 o    33.98000      0.4616000       33.95000 0.6524000       34.00000      0.6533000     -0.5613000E-01  0.9232000
  1 1 1      -7   -3    9 o    28.05000      0.5460000       26.77000 0.7381000       29.33000      0.8048000      -2.560000       1.092000
  1 1 1      -7   -3   10 o    11.30000      0.1919000       11.27000 0.2711000       11.34000      0.2718000     -0.6973000E-01  0.3839000
  1 1 1      -7   -3   11 o    9.618000      0.1838000       9.524000 0.2591000       9.713000      0.2608000     -0.1894000      0.3676000
  1 1 1      -7   -3   12 o    17.22000      0.2564000       17.22000 0.3632000       17.22000      0.3620000     -0.4925000E-02  0.5128000
  1 1 1      -7   -3   13 o    8.639000      0.1868000       8.843000 0.2660000       8.436000      0.2622000      0.4069000      0.3735000
  1 1 1      -7   -3   14 o    6.607000      0.1997000       6.728000 0.2788000       6.486000      0.2859000      0.2420000      0.3993000
  1 1 1      -7   -3   15 o    9.513000      0.1983000       9.754000 0.2813000       9.272000      0.2795000      0.4818000      0.3966000
  1 1 1      -7   -3   16 o    3.840000      0.2992000       4.048000 0.3997000       3.632000      0.4452000      0.4163000      0.5983000
  1 1 1      -7   -3   17 o    8.750000      0.2055000       8.727000 0.2931000       8.773000      0.2880000     -0.4619000E-01  0.4109000
  1 1 1      -7   -3   18 o    12.98000      0.2290000       12.95000 0.3234000       13.02000      0.3243000     -0.7701000E-01  0.4580000
  1 1 1      -7   -3   19 o    7.228000      0.3249000       7.228000 0.3249000                  ?              ?              ?              ?
  1 1 1      -7   -3   20 f    6.112000      0.2517000       6.128000 0.3668000       6.095000      0.3448000      0.3263000E-01  0.5034000
  1 1 1      -7   -3   21 o    6.400000      0.3597000                  ?       ?   6.400000      0.3597000                  ?              ?
  1 1 1      -7   -3   22 o    9.535000      0.3298000       9.884000 0.4914000       9.186000      0.4400000      0.6981000      0.6596000
  1 1 1      -7   -3   23 o    4.005000      0.5545000       3.859000 0.8672000       4.150000      0.6912000     -0.2909000       1.109000
  1 1 1      -7   -3   24 o    2.598000      0.5125000       2.027000 0.7587000       3.168000      0.6892000      -1.142000       1.025000
  1 1 1      -7   -3   25 o    14.99000      0.3761000       15.25000 0.5282000       14.73000      0.5355000      0.5140000      0.7521000
  1 1 1      -7   -3   26 o    10.28000      0.3477000       10.77000 0.4869000       9.795000      0.4965000      0.9735000      0.6954000
  1 1 1      -7   -3   27 o    3.474000      0.4906000       3.612000 0.6952000       3.335000      0.6925000      0.2775000      0.9812000
  1 1 1      -7   -3   28 o    4.952000      0.3671000       4.881000 0.5224000       5.023000      0.5159000     -0.1420000      0.7343000
  1 1 1      -7   -3   29 o    4.169000      0.4515000       4.085000 0.6518000       4.253000      0.6250000     -0.1679000      0.9030000
  1 1 1      -7   -3   30 o    12.53000      0.2715000       12.66000 0.3905000       12.40000      0.3773000      0.2600000      0.5430000
  1 1 1      -7   -3   31 o    2.372000      0.6032000       2.042000 0.8336000       2.703000      0.8722000     -0.6608000       1.206000
  1 1 1      -7   -3   32 o    5.908000      0.3893000       6.257000 0.5222000       5.559000      0.5775000      0.6975000      0.7786000
  1 1 1      -7   -3   33 o    7.347000      0.3344000       7.451000 0.4740000       7.243000      0.4717000      0.2080000      0.6687000
  1 1 1      -7   -3   34 f    2.221000      0.5998000       1.851000 0.8094000       2.590000      0.8855000     -0.7390000       1.200000
  1 1 1      -7   -3   35 o    2.308000      0.5664000       3.079000 0.8790000       1.538000      0.7144000       1.540000       1.133000
  1 1 1      -7   -3   36 o    3.177000      0.6128000       2.785000 0.9234000       3.569000      0.8059000     -0.7841000       1.226000
  1 1 1      -7   -3   37 o    2.264000      0.5882000       1.754000 0.7836000       2.774000      0.8774000      -1.020000       1.176000
  1 1 1      -7   -2    1 o    5.874000      0.1283000       5.806000 0.1801000       5.943000      0.1827000     -0.1377000      0.2566000
  1 1 1      -7   -2    2 o    22.32000      0.3067000       21.79000 0.4241000       22.86000      0.4433000      -1.064000      0.6135000
  1 1 1      -7   -2    3 o    16.13000      0.2299000       16.17000 0.3255000       16.10000      0.3249000      0.7189000E-01  0.4599000
  1 1 1      -7   -2    4 o    16.06000      0.2302000       16.17000 0.3276000       15.95000      0.3235000      0.2249000      0.4604000
  1 1 1      -7   -2    5 o    18.50000      0.2611000       18.76000 0.3735000       18.23000      0.3650000      0.5310000      0.5223000
  1 1 1      -7   -2    7 o    13.76000      0.2085000       14.00000 0.2979000       13.53000      0.2916000      0.4616000      0.4169000
  1 1 1      -7   -2    8 o    25.95000      0.3580000       26.14000 0.5097000       25.76000      0.5029000      0.3774000      0.7160000
  1 1 1      -7   -2    9 o    28.51000      0.5536000       28.47000 0.7812000       28.54000      0.7846000     -0.7884000E-01   1.107000
  1 1 1      -7   -2   10 o    8.920000      0.2164000       8.793000 0.2481000       9.047000      0.3546000     -0.2539000      0.4328000
  1 1 1      -7   -2   11 o    10.15000      0.1868000       10.08000 0.2632000       10.23000      0.2651000     -0.1440000      0.3736000
  1 1 1      -7   -2   12 o    10.56000      0.1919000       10.67000 0.2753000       10.45000      0.2673000      0.2226000      0.3837000
  1 1 1      -7   -2   13 o    5.866000      0.1959000       5.792000 0.2756000       5.940000      0.2784000     -0.1482000      0.3918000
  1 1 1      -7   -2   14 o    3.133000      0.3277000       2.774000 0.5078000       3.492000      0.4145000     -0.7175000      0.6555000
  1 1 1      -7   -2   15 o    4.765000      0.2428000       4.969000 0.3306000       4.561000      0.3556000      0.4077000      0.4855000
  1 1 1      -7   -2   16 o    4.488000      0.2618000       4.681000 0.3626000       4.295000      0.3777000      0.3856000      0.5236000
  1 1 1      -7   -2   17 o    10.69000      0.2122000       10.84000 0.2981000       10.53000      0.3021000      0.3082000      0.4244000
  1 1 1      -7   -2   18 o    11.12000      0.2175000       10.82000 0.3041000       11.43000      0.3111000     -0.6065000      0.4351000
  1 1 1      -7   -2   19 o    4.432000      0.3017000       4.664000 0.4030000       4.200000      0.4492000      0.4640000      0.6035000
  1 1 1      -7   -2   20 o    11.23000      0.2261000       11.24000 0.3222000       11.21000      0.3173000      0.3666000E-01  0.4522000
  1 1 1      -7   -2   21 o    13.55000      0.2444000       12.94000 0.3417000       14.17000      0.3497000      -1.237000      0.4889000
  1 1 1      -7   -2   22 o    6.423000      0.3673000       6.809000 0.5337000       6.037000      0.5047000      0.7722000      0.7345000
  1 1 1      -7   -2   23 o    7.485000      0.2632000       8.038000 0.3720000       6.932000      0.3724000       1.106000      0.5264000
  1 1 1      -7   -2   24 o    4.009000      0.3823000       3.728000 0.5826000       4.290000      0.4953000     -0.5618000      0.7646000
  1 1 1      -7   -2   25 o    2.683000      0.6192000       3.317000 0.8864000       2.050000      0.8647000       1.266000       1.238000
  1 1 1      -7   -2   26 o    8.240000      0.2539000       8.175000 0.3647000       8.304000      0.3535000     -0.1283000      0.5079000
  1 1 1      -7   -2   27 o    6.576000      0.2956000       6.901000 0.4227000       6.252000      0.4134000      0.6483000      0.5913000
  1 1 1      -7   -2   28 o    9.450000      0.2583000       9.127000 0.3676000       9.773000      0.3629000     -0.6458000      0.5166000
  1 1 1      -7   -2   29 o    2.055000      0.5413000       1.702000 0.7337000       2.408000      0.7961000     -0.7053000       1.083000
  1 1 1      -7   -2   30 o    8.395000      0.2849000       8.358000 0.4127000       8.431000      0.3928000     -0.7245000E-01  0.5698000
  1 1 1      -7   -2   31 o    5.537000      0.3857000       6.041000 0.5164000       5.034000      0.5732000       1.007000      0.7715000
  1 1 1      -7   -2   32 o    7.091000      0.3258000       7.308000 0.4410000       6.873000      0.4796000      0.4349000      0.6515000
  1 1 1      -7   -2   33 o    2.642000      0.6256000       2.638000 0.8826000       2.646000      0.8870000     -0.7865000E-02   1.251000
  1 1 1      -7   -2   34 o    3.784000      0.5486000       4.680000 0.6580000       2.888000      0.8779000       1.792000       1.097000
  1 1 1      -7   -2   35 o    4.527000      0.5002000       3.891000 0.8173000       5.162000      0.5768000      -1.271000       1.000000
  1 1 1      -7   -2   36 o    3.001000      0.6205000       3.115000 0.8612000       2.888000      0.8935000      0.2271000       1.241000
  1 1 1      -7   -2   37 o    2.531000      0.6040000       2.124000 0.8520000       2.939000      0.8563000     -0.8147000       1.208000
  1 1 1      -7   -1    1 o    24.05000      0.3287000       24.49000 0.4724000       23.60000      0.4571000      0.8843000      0.6573000
  1 1 1      -7   -1    2 o    12.49000      0.1855000       12.36000 0.2602000       12.61000      0.2645000     -0.2491000      0.3710000
  1 1 1      -7   -1    3 o    14.38000      0.2100000       14.08000 0.2925000       14.67000      0.3015000     -0.5851000      0.4200000
  1 1 1      -7   -1    4 o    13.49000      0.2005000       13.38000 0.2820000       13.60000      0.2851000     -0.2119000      0.4010000
  1 1 1      -7   -1    5 o    14.67000      0.3054000       14.58000 0.4314000       14.76000      0.4323000     -0.1772000      0.6107000
  1 1 1      -7   -1    6 o    22.79000      0.4476000       22.92000 0.6364000       22.66000      0.6295000      0.2587000      0.8951000
  1 1 1      -7   -1    7 o    17.39000      0.2511000       17.22000 0.3518000       17.56000      0.3584000     -0.3368000      0.5022000
  1 1 1      -7   -1    9 o    36.68000      0.7044000       36.19000 0.9826000       37.18000       1.010000     -0.9806000       1.409000
  1 1 1      -7   -1   10 o    19.91000      0.2853000       19.63000 0.3986000       20.19000      0.4082000     -0.5617000      0.5706000
  1 1 1      -7   -1   11 o    15.24000      0.2322000       15.10000 0.3259000       15.38000      0.3309000     -0.2866000      0.4644000
  1 1 1      -7   -1   12 o    8.302000      0.1814000       7.935000 0.2539000       8.669000      0.2590000     -0.7341000      0.3627000
  1 1 1      -7   -1   13 o    3.312000      0.2859000       3.351000 0.4041000       3.272000      0.4045000      0.7914000E-01  0.5717000
  1 1 1      -7   -1   14 o    9.540000      0.1945000       9.440000 0.2713000       9.641000      0.2786000     -0.2015000      0.3889000
  1 1 1      -7   -1   15 o    17.72000      0.2665000       17.75000 0.3771000       17.68000      0.3767000      0.7673000E-01  0.5331000
  1 1 1      -7   -1   16 f    12.32000      0.2177000       12.64000 0.3121000       12.00000      0.3035000      0.6314000      0.4353000
  1 1 1      -7   -1   17 o    11.89000      0.2168000       11.85000 0.3059000       11.92000      0.3074000     -0.6213000E-01  0.4336000
  1 1 1      -7   -1   18 o    10.12000      0.2132000       10.25000 0.2988000       9.990000      0.3042000      0.2572000      0.4264000
  1 1 1      -7   -1   19 o    5.701000      0.2561000       5.860000 0.3547000       5.542000      0.3694000      0.3174000      0.5121000
  1 1 1      -7   -1   20 o    9.807000      0.2231000       9.862000 0.3192000       9.751000      0.3117000      0.1113000      0.4461000
  1 1 1      -7   -1   21 o    8.482000      0.2869000       8.984000 0.4734000       7.980000      0.3241000       1.003000      0.5737000
  1 1 1      -7   -1   22 f    7.225000      0.3496000       6.807000 0.5383000       7.643000      0.4460000     -0.8361000      0.6991000
  1 1 1      -7   -1   23 o    7.279000      0.2553000       6.871000 0.3864000       7.686000      0.3337000     -0.8147000      0.5106000
  1 1 1      -7   -1   24 o    2.972000      0.4906000       2.854000 0.6981000       3.089000      0.6896000     -0.2351000      0.9813000
  1 1 1      -7   -1   25 o    7.098000      0.3927000       6.496000 0.5865000       7.700000      0.5223000      -1.204000      0.7853000
  1 1 1      -7   -1   26 o    2.597000      0.5467000       2.804000 0.7732000       2.390000      0.7730000      0.4143000       1.093000
  1 1 1      -7   -1   27 o    14.59000      0.2638000       14.71000 0.3781000       14.47000      0.3680000      0.2363000      0.5276000
  1 1 1      -7   -1   28 o    5.445000      0.3409000       5.750000 0.4677000       5.141000      0.4962000      0.6098000      0.6819000
  1 1 1      -7   -1   29 o    7.745000      0.2830000       7.615000 0.3934000       7.874000      0.4069000     -0.2589000      0.5660000
  1 1 1      -7   -1   30 o    10.25000      0.2641000       10.23000 0.3723000       10.27000      0.3747000     -0.4317000E-01  0.5282000
  1 1 1      -7   -1   31 o    4.127000      0.6221000       3.498000 1.090000       4.756000      0.6005000      -1.257000       1.244000
  1 1 1      -7   -1   32 o    2.673000      0.5974000       3.125000 0.8360000       2.221000      0.8535000      0.9035000       1.195000
  1 1 1      -7   -1   33 o    2.966000      0.6114000       3.363000 0.8460000       2.570000      0.8829000      0.7933000       1.223000
  1 1 1      -7   -1   34 o    4.603000      0.4723000       4.988000 0.6424000       4.217000      0.6924000      0.7713000      0.9445000
  1 1 1      -7   -1   35 o    5.176000      0.4113000       5.602000 0.5619000       4.751000      0.6007000      0.8509000      0.8225000
  1 1 1      -7   -1   36 o    1.900000      0.5668000       1.609000 0.7436000       2.191000      0.8556000     -0.5816000       1.134000
  1 1 1      -7   -1   37 o    2.340000      0.6209000       2.723000 0.9273000       1.956000      0.8258000      0.7676000       1.242000
  1 1 1      -7    0    1 o    13.93000      0.2012000       13.72000 0.2813000       14.13000      0.2877000     -0.4074000      0.4024000
  1 1 1      -7    0    2 o    12.13000      0.1815000       12.07000 0.2557000       12.18000      0.2575000     -0.1081000      0.3630000
  1 1 1      -7    0    3 o    12.60000      0.1890000       12.32000 0.2631000       12.87000      0.2715000     -0.5570000      0.3780000
  1 1 1      -7    0    4 o    7.843000      0.1490000       8.043000 0.2110000       7.644000      0.2106000      0.3994000      0.2981000
  1 1 1      -7    0    5 o    9.902000      0.2360000       9.794000 0.3356000       10.01000      0.3319000     -0.2152000      0.4720000
  1 1 1      -7    0    6 o    20.63000      0.2900000       20.44000 0.4071000       20.82000      0.4130000     -0.3853000      0.5799000
  1 1 1      -7    0    7 o    31.24000      0.4261000       31.50000 0.6073000       30.98000      0.5978000      0.5220000      0.8522000
  1 1 1      -7    0    8 f    10.32000      0.2527000       10.37000 0.3558000       10.27000      0.3589000      0.1067000      0.5054000
  1 1 1      -7    0    9 o    16.57000      0.2443000       16.46000 0.3433000       16.68000      0.3478000     -0.2188000      0.4887000
  1 1 1      -7    0   10 o    16.65000      0.3013000       16.48000 0.4889000       16.82000      0.3523000     -0.3423000      0.6026000
  1 1 1      -7    0   11 o    21.41000      0.3044000       21.57000 0.4331000       21.25000      0.4279000      0.3193000      0.6088000
  1 1 1      -7    0   12 o    13.08000      0.2123000       12.95000 0.2987000       13.21000      0.3016000     -0.2554000      0.4245000
  1 1 1      -7    0   13 o    3.373000      0.2723000       3.560000 0.3634000       3.187000      0.4056000      0.3725000      0.5446000
  1 1 1      -7    0   14 o    14.54000      0.2314000       14.81000 0.3308000       14.26000      0.3238000      0.5456000      0.4629000
  1 1 1      -7    0   15 o    17.69000      0.2663000       17.47000 0.3728000       17.92000      0.3805000     -0.4531000      0.5327000
  1 1 1      -7    0   16 o    10.11000      0.2034000       10.35000 0.2905000       9.868000      0.2847000      0.4845000      0.4067000
  1 1 1      -7    0   17 o    4.285000      0.2690000       4.123000 0.4012000       4.447000      0.3586000     -0.3240000      0.5381000
  1 1 1      -7    0   18 o    5.944000      0.2369000       5.519000 0.3453000       6.370000      0.3243000     -0.8503000      0.4738000
  1 1 1      -7    0   19 o    10.00000      0.2177000       9.914000 0.3077000       10.09000      0.3080000     -0.1753000      0.4354000
  1 1 1      -7    0   20 o    9.892000      0.3147000       9.892000 0.3147000                  ?              ?              ?              ?
  1 1 1      -7    0   21 o    8.295000      0.3110000       8.082000 0.4671000       8.508000      0.4106000     -0.4267000      0.6219000
  1 1 1      -7    0   22 o    6.728000      0.4884000                  ?       ?   6.728000      0.4884000                  ?              ?
  1 1 1      -7    0   23 o    4.709000      0.3286000       4.734000 0.4807000       4.683000      0.4482000      0.5119000E-01  0.6573000
  1 1 1      -7    0   24 o    1.704000      0.5504000       1.808000 0.7997000       1.600000      0.7564000      0.2080000       1.101000
  1 1 1      -7    0   25 f    1.975000      0.5957000       2.195000 0.8834000       1.755000      0.7993000      0.4394000       1.191000
  1 1 1      -7    0   26 o    3.023000      0.5446000       3.452000 0.6737000       2.594000      0.8559000      0.8582000       1.089000
  1 1 1      -7    0   27 o    8.794000      0.2580000       8.871000 0.3715000       8.716000      0.3582000      0.1551000      0.5161000
  1 1 1      -7    0   28 o    6.404000      0.2972000       6.954000 0.4159000       5.853000      0.4247000       1.102000      0.5944000
  1 1 1      -7    0   29 o    3.642000      0.5144000       3.762000 0.7437000       3.522000      0.7109000      0.2398000       1.029000
  1 1 1      -7    0   30 o    7.610000      0.2881000       7.545000 0.4223000       7.675000      0.3921000     -0.1303000      0.5763000
  1 1 1      -7    0   31 o    3.237000      0.5809000       3.535000 0.8002000       2.940000      0.8422000      0.5954000       1.162000
  1 1 1      -7    0   32 o    3.453000      0.5569000       4.180000 0.7012000       2.725000      0.8655000       1.455000       1.114000
  1 1 1      -7    0   33 o    3.183000      0.6184000       3.287000 0.8759000       3.079000      0.8731000      0.2078000       1.237000
  1 1 1      -7    0   34 o    2.581000      0.5966000       2.205000 0.8725000       2.957000      0.8138000     -0.7521000       1.193000
  1 1 1      -7    0   35 o    3.176000      0.5952000       3.548000 0.8236000       2.805000      0.8594000      0.7427000       1.190000
  1 1 1      -7    0   36 o    2.432000      0.6110000       2.272000 0.8792000       2.592000      0.8485000     -0.3192000       1.222000
  1 1 1      -7    0   37 o    2.615000      0.6850000       3.147000 1.024000       2.083000      0.9107000       1.064000       1.370000
  1 1 1      -7    1    1 o    16.66000      0.2358000       16.43000 0.3281000       16.88000      0.3387000     -0.4529000      0.4716000
  1 1 1      -7    1    2 o    5.107000      0.1332000       5.032000 0.1865000       5.181000      0.1903000     -0.1495000      0.2665000
  1 1 1      -7    1    3 o    28.27000      0.3853000       28.36000 0.5464000       28.18000      0.5434000      0.1757000      0.7706000
  1 1 1      -7    1    4 o    6.524000      0.2034000       6.371000 0.2890000       6.677000      0.2863000     -0.3067000      0.4068000
  1 1 1      -7    1    5 o    22.75000      0.3157000       22.34000 0.4395000       23.15000      0.4534000     -0.8165000      0.6314000
  1 1 1      -7    1    6 o    21.79000      0.3043000       21.82000 0.4306000       21.77000      0.4299000      0.5100000E-01  0.6085000
  1 1 1      -7    1    7 o    24.24000      0.4764000       23.61000 0.6560000       24.88000      0.6910000      -1.274000      0.9528000
  1 1 1      -7    1    8 o    12.14000      0.2748000       12.37000 0.3907000       11.91000      0.3867000      0.4611000      0.5497000
  1 1 1      -7    1    9 o    8.871000      0.2090000       9.204000 0.2478000       8.539000      0.3365000      0.6652000      0.4180000
  1 1 1      -7    1   10 o    29.32000      0.4039000       29.69000 0.5770000       28.94000      0.5653000      0.7510000      0.8078000
  1 1 1      -7    1   11 o    21.27000      0.3029000       20.83000 0.4202000       21.72000      0.4363000     -0.8924000      0.6057000
  1 1 1      -7    1   12 o    14.51000      0.2259000       14.30000 0.3163000       14.72000      0.3228000     -0.4252000      0.4519000
  1 1 1      -7    1   13 o    4.356000      0.2293000       4.196000 0.3312000       4.517000      0.3173000     -0.3206000      0.4587000
  1 1 1      -7    1   14 o    6.239000      0.1949000       6.133000 0.2819000       6.345000      0.2691000     -0.2117000      0.3897000
  1 1 1      -7    1   15 o    8.043000      0.1959000       8.358000 0.2751000       7.727000      0.2789000      0.6301000      0.3918000
  1 1 1      -7    1   16 o    4.413000      0.2656000       4.144000 0.3975000       4.681000      0.3525000     -0.5374000      0.5313000
  1 1 1      -7    1   17 o    5.326000      0.2343000       5.072000 0.3373000       5.581000      0.3253000     -0.5087000      0.4686000
  1 1 1      -7    1   18 f    5.310000      0.2520000       4.986000 0.3727000       5.635000      0.3393000     -0.6496000      0.5040000
  1 1 1      -7    1   19 o    12.55000      0.2287000       12.38000 0.3206000       12.72000      0.3263000     -0.3455000      0.4574000
  1 1 1      -7    1   20 o    1.999000      0.7097000       1.999000 0.7097000                  ?              ?              ?              ?
  1 1 1      -7    1   21 o    2.772000      0.5488000       2.116000 0.8379000       3.427000      0.7090000      -1.310000       1.098000
  1 1 1      -7    1   22 o    9.026000      0.3222000                  ?       ?   9.026000      0.3222000                  ?              ?
  1 1 1      -7    1   23 o    4.717000      0.3233000       4.621000 0.4793000       4.813000      0.4341000     -0.1922000      0.6467000
  1 1 1      -7    1   24 o    7.247000      0.3793000       7.326000 0.5233000       7.169000      0.5494000      0.1565000      0.7587000
  1 1 1      -7    1   25 o    5.112000      0.3214000       5.053000 0.4672000       5.171000      0.4414000     -0.1181000      0.6428000
  1 1 1      -7    1   26 o    7.086000      0.2707000       7.326000 0.3791000       6.846000      0.3866000      0.4802000      0.5415000
  1 1 1      -7    1   27 o    11.52000      0.2493000       11.80000 0.3566000       11.25000      0.3485000      0.5550000      0.4986000
  1 1 1      -7    1   28 o    6.698000      0.2932000       6.951000 0.4125000       6.444000      0.4168000      0.5064000      0.5864000
  1 1 1      -7    1   29 o    4.834000      0.3839000       4.449000 0.5847000       5.220000      0.4977000     -0.7718000      0.7678000
  1 1 1      -7    1   30 o    3.769000      0.4931000       4.208000 0.6365000       3.331000      0.7533000      0.8771000      0.9862000
  1 1 1      -7    1   31 f    3.258000      0.5756000       2.802000 0.8695000       3.714000      0.7544000     -0.9120000       1.151000
  1 1 1      -7    1   32 o    4.016000      0.5175000       3.768000 0.7836000       4.264000      0.6763000     -0.4964000       1.035000
  1 1 1      -7    1   33 o    2.062000      0.5883000       2.303000 0.8788000       1.821000      0.7823000      0.4829000       1.177000
  1 1 1      -7    1   34 o    4.930000      0.4541000       4.541000 0.7147000       5.318000      0.5602000     -0.7766000      0.9081000
  1 1 1      -7    1   35 o    3.113000      0.6037000       3.081000 0.8990000       3.145000      0.8059000     -0.6385000E-01   1.207000
  1 1 1      -7    1   36 o    3.187000      0.6218000       3.131000 0.8989000       3.244000      0.8593000     -0.1131000       1.244000
  1 1 1      -7    1   37 o    3.197000      0.6903000       2.722000 1.021000       3.672000      0.9293000     -0.9507000       1.381000
  1 1 1      -7    2    1 o    18.28000      0.3155000       18.26000 0.3638000       18.31000      0.5156000     -0.4363000E-01  0.6310000
  1 1 1      -7    2    2 o    30.22000      0.4111000       29.57000 0.5695000       30.87000      0.5929000      -1.296000      0.8221000
  1 1 1      -7    2    3 o    13.01000      0.2786000       13.25000 0.3971000       12.77000      0.3908000      0.4802000      0.5571000
  1 1 1      -7    2    4 o    20.36000      0.2857000       20.06000 0.3982000       20.66000      0.4097000     -0.5960000      0.5713000
  1 1 1      -7    2    5 f    24.26000      0.3357000       24.10000 0.4710000       24.43000      0.4785000     -0.3260000      0.6714000
  1 1 1      -7    2    6 o    8.006000      0.2237000       8.142000 0.3152000       7.871000      0.3176000      0.2711000      0.4475000
  1 1 1      -7    2    7 o    14.30000      0.3078000       14.34000 0.4343000       14.26000      0.4364000      0.8049000E-01  0.6157000
  1 1 1      -7    2    8 o    4.623000      0.1871000       4.824000 0.2537000       4.423000      0.2750000      0.4019000      0.3742000
  1 1 1      -7    2    9 o    18.88000      0.2732000       18.42000 0.3789000       19.33000      0.3936000     -0.9100000      0.5463000
  1 1 1      -7    2   10 o    22.88000      0.3221000       23.01000 0.4579000       22.74000      0.4532000      0.2745000      0.6443000
  1 1 1      -7    2   11 o    13.18000      0.2121000       13.28000 0.3003000       13.07000      0.2995000      0.2106000      0.4241000
  1 1 1      -7    2   12 o    11.22000      0.1974000       11.08000 0.2775000       11.37000      0.2807000     -0.2878000      0.3948000
  1 1 1      -7    2   13 o    14.25000      0.2270000       14.22000 0.3207000       14.28000      0.3214000     -0.6997000E-01  0.4540000
  1 1 1      -7    2   14 o    7.255000      0.1928000       7.330000 0.2703000       7.180000      0.2751000      0.1494000      0.3857000
  1 1 1      -7    2   15 o    9.878000      0.1999000       9.965000 0.2813000       9.791000      0.2842000      0.1747000      0.3998000
  1 1 1      -7    2   16 o    2.187000      0.4077000       1.722000 0.6205000       2.652000      0.5290000     -0.9300000      0.8154000
  1 1 1      -7    2   17 o    4.281000      0.2798000       4.737000 0.3579000       3.825000      0.4301000      0.9117000      0.5595000
  1 1 1      -7    2   18 o    8.654000      0.2098000       8.519000 0.2969000       8.789000      0.2965000     -0.2692000      0.4196000
  1 1 1      -7    2   19 o    7.059000      0.2222000       6.657000 0.3230000       7.460000      0.3052000     -0.8022000      0.4443000
  1 1 1      -7    2   20 o    4.448000      0.3760000       4.498000 0.5722000       4.398000      0.4880000      0.1002000      0.7520000
  1 1 1      -7    2   21 o    5.358000      0.2788000       5.229000 0.4112000       5.486000      0.3768000     -0.2572000      0.5577000
  1 1 1      -7    2   22 o    7.547000      0.2878000       6.941000 0.4724000       8.153000      0.3287000      -1.212000      0.5755000
  1 1 1      -7    2   23 f    12.64000      0.3427000       12.37000 0.4843000       12.91000      0.4850000     -0.5379000      0.6854000
  1 1 1      -7    2   24 o    8.784000      0.2403000       8.992000 0.3454000       8.576000      0.3342000      0.4159000      0.4806000
  1 1 1      -7    2   25 o    13.60000      0.2518000       13.48000 0.3589000       13.73000      0.3534000     -0.2521000      0.5037000
  1 1 1      -7    2   26 o    14.05000      0.2586000       14.15000 0.3672000       13.95000      0.3642000      0.1981000      0.5172000
  1 1 1      -7    2   27 o    7.696000      0.2623000       7.668000 0.3812000       7.724000      0.3604000     -0.5593000E-01  0.5246000
  1 1 1      -7    2   28 o    2.764000      0.5537000       2.772000 0.8001000       2.757000      0.7657000      0.1576000E-01   1.107000
  1 1 1      -7    2   29 o    2.829000      0.5267000       2.123000 0.8034000       3.534000      0.6812000      -1.411000       1.053000
  1 1 1      -7    2   30 o    7.021000      0.2938000       6.819000 0.4353000       7.223000      0.3948000     -0.4046000      0.5877000
  1 1 1      -7    2   31 o    7.935000      0.2963000       8.594000 0.4147000       7.277000      0.4232000       1.318000      0.5926000
  1 1 1      -7    2   32 o    7.033000      0.3224000       6.812000 0.4815000       7.254000      0.4287000     -0.4418000      0.6447000
  1 1 1      -7    2   33 f    3.037000      0.6038000       3.562000 0.8291000       2.513000      0.8779000       1.049000       1.208000
  1 1 1      -7    2   34 o    5.924000      0.3720000       5.740000 0.5542000       6.107000      0.4963000     -0.3665000      0.7440000
  1 1 1      -7    2   35 o    4.830000      0.4165000       4.994000 0.5949000       4.665000      0.5831000      0.3298000      0.8330000
  1 1 1      -7    2   36 o    2.658000      0.7022000       2.419000 0.9853000       2.897000       1.001000     -0.4776000       1.404000
  1 1 1      -7    2   37 o    2.839000      0.6631000       3.431000 1.041000       2.247000      0.8224000       1.184000       1.326000
  1 1 1      -7    3    1 o    5.092000      0.2123000       5.563000 0.2810000       4.622000      0.3183000      0.9418000      0.4246000
  1 1 1      -7    3    2 o    20.58000      0.4060000       19.83000 0.5536000       21.34000      0.5941000      -1.512000      0.8120000
  1 1 1      -7    3    3 o    18.04000      0.2571000       18.25000 0.3673000       17.83000      0.3600000      0.4176000      0.5143000
  1 1 1      -7    3    4 o    9.368000      0.1692000       9.402000 0.2388000       9.335000      0.2397000      0.6666000E-01  0.3384000
  1 1 1      -7    3    5 o    14.53000      0.3110000       14.24000 0.4356000       14.82000      0.4441000     -0.5847000      0.6221000
  1 1 1      -7    3    6 o    6.373000      0.2305000       6.768000 0.3119000       5.979000      0.3396000      0.7891000      0.4611000
  1 1 1      -7    3    7 o    22.42000      0.3153000       22.34000 0.4430000       22.50000      0.4488000     -0.1576000      0.6307000
  1 1 1      -7    3    8 o    25.35000      0.3529000       25.12000 0.4939000       25.58000      0.5043000     -0.4656000      0.7059000
  1 1 1      -7    3    9 o    18.05000      0.2641000       18.10000 0.3723000       18.00000      0.3746000      0.1022000      0.5281000
  1 1 1      -7    3   10 o    19.91000      0.2878000       20.05000 0.4077000       19.77000      0.4064000      0.2867000      0.5756000
  1 1 1      -7    3   11 o    22.86000      0.3246000       22.86000 0.4569000       22.86000      0.4612000     -0.4040000E-02  0.6491000
  1 1 1      -7    3   12 o    8.033000      0.2323000       8.328000 0.2609000       7.737000      0.3844000      0.5912000      0.4646000
  1 1 1      -7    3   13 f    14.25000      0.2275000       14.25000 0.3223000       14.25000      0.3212000     -0.5319000E-02  0.4550000
  1 1 1      -7    3   14 o    9.803000      0.1943000       9.704000 0.2705000       9.903000      0.2789000     -0.1993000      0.3885000
  1 1 1      -7    3   15 o    5.159000      0.2302000       4.729000 0.3375000       5.589000      0.3132000     -0.8603000      0.4605000
  1 1 1      -7    3   16 o    2.964000      0.3445000       2.427000 0.5504000       3.500000      0.4143000      -1.072000      0.6889000
  1 1 1      -7    3   17 o    7.558000      0.2093000       7.575000 0.2982000       7.541000      0.2937000      0.3469000E-01  0.4185000
  1 1 1      -7    3   18 o    8.535000      0.2088000       8.652000 0.2927000       8.418000      0.2978000      0.2338000      0.4176000
  1 1 1      -7    3   19 o    4.496000      0.4013000       4.571000 0.5600000       4.420000      0.5749000      0.1509000      0.8025000
  1 1 1      -7    3   20 o    10.27000      0.3023000       10.04000 0.4352000       10.50000      0.4197000     -0.4631000      0.6046000
  1 1 1      -7    3   21 o    2.856000      0.4585000       3.176000 0.6122000       2.535000      0.6827000      0.6412000      0.9170000
  1 1 1      -7    3   22 o    7.820000      0.3394000       7.979000 0.4912000       7.662000      0.4686000      0.3164000      0.6789000
  1 1 1      -7    3   23 o    7.145000      0.3754000       6.949000 0.5331000       7.340000      0.5286000     -0.3915000      0.7507000
  1 1 1      -7    3   24 f    5.099000      0.2963000       5.118000 0.4352000       5.081000      0.4023000      0.3784000E-01  0.5926000
  1 1 1      -7    3   25 o    13.52000      0.2482000       13.52000 0.3526000       13.52000      0.3494000     -0.3014000E-02  0.4964000
  1 1 1      -7    3   26 o    9.120000      0.2429000       8.920000 0.3470000       9.319000      0.3399000     -0.3992000      0.4857000
  1 1 1      -7    3   27 o    10.76000      0.2449000       11.00000 0.3502000       10.53000      0.3424000      0.4638000      0.4898000
  1 1 1      -7    3   28 o    6.896000      0.2814000       6.812000 0.4087000       6.980000      0.3870000     -0.1678000      0.5628000
  1 1 1      -7    3   29 o    7.226000      0.2751000       7.112000 0.3970000       7.340000      0.3810000     -0.2277000      0.5502000
  1 1 1      -7    3   30 o    10.15000      0.2631000       10.11000 0.3746000       10.20000      0.3694000     -0.8302000E-01  0.5261000
  1 1 1      -7    3   31 o    9.178000      0.2827000       9.279000 0.4053000       9.077000      0.3941000      0.2018000      0.5653000
  1 1 1      -7    3   32 o    3.572000      0.5571000       4.090000 0.7105000       3.054000      0.8584000       1.036000       1.114000
  1 1 1      -7    3   33 o    5.376000      0.4005000       5.865000 0.5209000       4.887000      0.6084000      0.9780000      0.8009000
  1 1 1      -7    3   34 o    3.256000      0.5786000       3.226000 0.8596000       3.287000      0.7746000     -0.6036000E-01   1.157000
  1 1 1      -7    3   35 o    3.495000      0.5770000       3.594000 0.8181000       3.397000      0.8139000      0.1963000       1.154000
  1 1 1      -7    3   36 o    1.715000      0.5687000       1.834000 0.8497000       1.595000      0.7561000      0.2387000       1.137000
  1 1 1      -7    4    1 o    2.971000      0.2219000       3.004000 0.3052000       2.939000      0.3222000      0.6539000E-01  0.4438000
  1 1 1      -7    4    2 o    9.468000      0.1663000       9.593000 0.2376000       9.344000      0.2328000      0.2492000      0.3326000
  1 1 1      -7    4    3 o    26.77000      0.5207000       27.30000 0.7510000       26.24000      0.7215000       1.055000       1.041000
  1 1 1      -7    4    4 o    12.77000      0.2827000       12.72000 0.4043000       12.82000      0.3953000     -0.9819000E-01  0.5654000
  1 1 1      -7    4    5 o    3.265000      0.2428000       2.947000 0.3766000       3.583000      0.3067000     -0.6361000      0.4857000
  1 1 1      -7    4    6 o    9.483000      0.2453000       9.532000 0.3396000       9.433000      0.3542000      0.9913000E-01  0.4907000
  1 1 1      -7    4    7 o    15.65000      0.2365000       15.54000 0.3330000       15.76000      0.3358000     -0.2249000      0.4729000
  1 1 1      -7    4    8 o    13.14000      0.2128000       12.89000 0.2976000       13.40000      0.3043000     -0.5067000      0.4256000
  1 1 1      -7    4    9 o    6.829000      0.1826000       7.349000 0.2427000       6.309000      0.2728000       1.040000      0.3651000
  1 1 1      -7    4   10 o    18.47000      0.2708000       18.72000 0.3854000       18.22000      0.3804000      0.5044000      0.5415000
  1 1 1      -7    4   11 o    21.61000      0.3096000       21.91000 0.4404000       21.31000      0.4351000      0.6070000      0.6191000
  1 1 1      -7    4   12 o    5.272000      0.2299000       5.873000 0.2807000       4.672000      0.3641000       1.200000      0.4597000
  1 1 1      -7    4   13 o    5.016000      0.2275000       5.128000 0.3008000       4.903000      0.3415000      0.2249000      0.4550000
  1 1 1      -7    4   14 o    16.55000      0.2565000       16.38000 0.3560000       16.71000      0.3693000     -0.3315000      0.5129000
  1 1 1      -7    4   15 o    3.313000      0.3451000       2.974000 0.5183000       3.652000      0.4557000     -0.6781000      0.6902000
  1 1 1      -7    4   16 o    7.652000      0.2159000       7.731000 0.2916000       7.573000      0.3185000      0.1584000      0.4318000
  1 1 1      -7    4   17 o    6.775000      0.2285000       7.091000 0.2982000       6.459000      0.3462000      0.6317000      0.4569000
  1 1 1      -7    4   18 o    10.53000      0.3197000       11.23000 0.4237000       9.840000      0.4789000       1.386000      0.6394000
  1 1 1      -7    4   19 o    3.307000      0.5866000       2.814000 0.8152000       3.800000      0.8439000     -0.9861000       1.173000
  1 1 1      -7    4   20 o    4.874000      0.3028000       4.528000 0.4238000       5.220000      0.4325000     -0.6922000      0.6056000
  1 1 1      -7    4   21 o    5.835000      0.3174000       6.453000 0.5153000       5.218000      0.3707000       1.236000      0.6348000
  1 1 1      -7    4   22 o    11.09000      0.3392000       11.10000 0.4778000       11.08000      0.4815000      0.2271000E-01  0.6783000
  1 1 1      -7    4   23 o    12.69000      0.3004000       12.69000 0.3464000       12.68000      0.4910000      0.6998000E-02  0.6008000
  1 1 1      -7    4   24 o    12.66000      0.2462000       12.64000 0.3508000       12.68000      0.3456000     -0.4326000E-01  0.4925000
  1 1 1      -7    4   25 o    4.933000      0.3136000       4.851000 0.4841000       5.016000      0.3987000     -0.1652000      0.6271000
  1 1 1      -7    4   26 o    4.633000      0.3384000       4.508000 0.5171000       4.759000      0.4366000     -0.2509000      0.6767000
  1 1 1      -7    4   27 o    6.974000      0.2698000       6.650000 0.3943000       7.298000      0.3684000     -0.6480000      0.5396000
  1 1 1      -7    4   28 o    16.26000      0.2771000       16.35000 0.3970000       16.17000      0.3868000      0.1844000      0.5543000
  1 1 1      -7    4   29 o    9.298000      0.2541000       9.242000 0.3645000       9.354000      0.3541000     -0.1121000      0.5082000
  1 1 1      -7    4   30 o    4.127000      0.4440000       3.539000 0.7204000       4.714000      0.5193000      -1.175000      0.8881000
  1 1 1      -7    4   31 o    5.111000      0.3817000       5.582000 0.5225000       4.639000      0.5565000      0.9429000      0.7634000
  1 1 1      -7    4   32 o    7.379000      0.2939000       7.266000 0.4280000       7.491000      0.4029000     -0.2255000      0.5878000
  1 1 1      -7    4   33 o    2.223000      0.5750000       2.862000 0.9047000       1.583000      0.7100000       1.279000       1.150000
  1 1 1      -7    4   34 f    1.959000      0.5725000       2.012000 0.8382000       1.906000      0.7799000      0.1060000       1.145000
  1 1 1      -7    4   35 o    2.251000      0.6281000       1.767000 0.8330000       2.735000      0.9404000     -0.9676000       1.256000
  1 1 1      -7    4   36 o    1.774000      0.5439000       1.447000 0.6870000       2.101000      0.8434000     -0.6536000       1.088000
  1 1 1      -7    5    1 o    14.41000      0.2129000       14.33000 0.2991000       14.50000      0.3030000     -0.1646000      0.4258000
  1 1 1      -7    5    2 o    6.541000      0.2232000       6.349000 0.3304000       6.733000      0.3003000     -0.3837000      0.4465000
  1 1 1      -7    5    3 o    12.85000      0.2843000       12.60000 0.4008000       13.10000      0.4032000     -0.4941000      0.5685000
  1 1 1      -7    5    4 o    14.92000      0.2238000       14.91000 0.3168000       14.93000      0.3162000     -0.2661000E-01  0.4476000
  1 1 1      -7    5    5 o    15.07000      0.2274000       14.97000 0.3203000       15.18000      0.3229000     -0.2149000      0.4549000
  1 1 1      -7    5    6 o    14.72000      0.2251000       14.55000 0.3159000       14.89000      0.3207000     -0.3369000      0.4502000
  1 1 1      -7    5    7 o    15.24000      0.2315000       15.34000 0.3296000       15.14000      0.3252000      0.1954000      0.4630000
  1 1 1      -7    5    8 o    15.78000      0.2399000       15.69000 0.3377000       15.88000      0.3409000     -0.1906000      0.4798000
  1 1 1      -7    5    9 o    18.72000      0.2753000       18.54000 0.3863000       18.89000      0.3923000     -0.3492000      0.5506000
  1 1 1      -7    5   10 o    15.87000      0.2446000       15.96000 0.3477000       15.78000      0.3441000      0.1769000      0.4892000
  1 1 1      -7    5   11 o    5.831000      0.2046000       6.012000 0.2826000       5.650000      0.2959000      0.3622000      0.4091000
  1 1 1      -7    5   12 o    10.26000      0.1999000       10.51000 0.2786000       10.01000      0.2866000      0.5005000      0.3997000
  1 1 1      -7    5   13 o    8.905000      0.1991000       8.904000 0.2711000       8.906000      0.2916000     -0.1805000E-02  0.3981000
  1 1 1      -7    5   14 o    19.35000      0.2880000       20.04000 0.4143000       18.67000      0.4002000       1.366000      0.5760000
  1 1 1      -7    5   15 o    6.928000      0.2153000       6.755000 0.2898000       7.101000      0.3184000     -0.3466000      0.4305000
  1 1 1      -7    5   16 o    7.282000      0.2229000       7.721000 0.2909000       6.843000      0.3377000      0.8788000      0.4457000
  1 1 1      -7    5   17 o    7.655000      0.3255000       8.213000 0.4160000       7.098000      0.5008000       1.115000      0.6510000
  1 1 1      -7    5   18 o    8.051000      0.3188000       8.506000 0.4039000       7.596000      0.4934000      0.9092000      0.6376000
  1 1 1      -7    5   19 o    2.687000      0.4525000       3.219000 0.5113000       2.156000      0.7468000       1.063000      0.9051000
  1 1 1      -7    5   20 f    4.123000      0.3104000       3.723000 0.4237000       4.523000      0.4537000     -0.8001000      0.6208000
  1 1 1      -7    5   21 o    4.800000      0.6755000       4.800000 0.6755000                  ?              ?              ?              ?
  1 1 1      -7    5   22 o    9.786000      0.2427000       9.680000 0.3374000       9.891000      0.3490000     -0.2112000      0.4855000
  1 1 1      -7    5   23 o    16.77000      0.3996000                  ?       ?   16.77000      0.3996000                  ?              ?
  1 1 1      -7    5   24 o    7.377000      0.2772000       7.590000 0.3731000       7.164000      0.4102000      0.4265000      0.5545000
  1 1 1      -7    5   25 o    12.58000      0.2549000       12.41000 0.3490000       12.75000      0.3717000     -0.3423000      0.5099000
  1 1 1      -7    5   26 o    9.133000      0.2636000       9.257000 0.3476000       9.009000      0.3964000      0.2481000      0.5272000
  1 1 1      -7    5   27 o    6.346000      0.3054000       5.957000 0.4231000       6.734000      0.4405000     -0.7769000      0.6108000
  1 1 1      -7    5   28 o    7.114000      0.3201000       7.583000 0.4067000       6.645000      0.4945000      0.9385000      0.6402000
  1 1 1      -7    5   29 f    6.211000      0.3553000       6.123000 0.4649000       6.299000      0.5375000     -0.1761000      0.7107000
  1 1 1      -7    5   30 o    8.445000      0.3028000       8.446000 0.4028000       8.443000      0.4521000      0.3368000E-02  0.6055000
  1 1 1      -7    5   31 o    2.857000      0.6436000       2.624000 0.8773000       3.091000      0.9421000     -0.4675000       1.287000
  1 1 1      -7    5   32 o    8.726000      0.3218000       8.384000 0.4231000       9.069000      0.4849000     -0.6852000      0.6435000
  1 1 1      -7    5   33 f    2.587000      0.6298000       2.662000 0.8554000       2.513000      0.9244000      0.1491000       1.260000
  1 1 1      -7    5   34 o    3.067000      0.7463000       3.119000 1.035000       3.014000       1.076000      0.1053000       1.493000
  1 1 1      -7    5   35 o    1.728000      0.5447000       1.528000 0.7157000       1.928000      0.8213000     -0.3997000       1.089000
  1 1 1      -7    5   36 o    2.097000      0.5700000       2.686000 0.8950000       1.509000      0.7060000       1.177000       1.140000
  1 1 1      -7    6    1 o    16.67000      0.3407000       16.99000 0.4914000       16.35000      0.4721000      0.6413000      0.6814000
  1 1 1      -7    6    2 o    27.95000      0.3823000       27.82000 0.5385000       28.08000      0.5427000     -0.2593000      0.7645000
  1 1 1      -7    6    3 o    3.946000      0.2038000       4.121000 0.2734000       3.771000      0.3023000      0.3500000      0.4076000
  1 1 1      -7    6    4 o    12.49000      0.1986000       12.53000 0.2824000       12.46000      0.2794000      0.7271000E-01  0.3972000
  1 1 1      -7    6    5 o    13.71000      0.2131000       13.66000 0.3009000       13.76000      0.3019000     -0.1066000      0.4262000
  1 1 1      -7    6    6 o    12.40000      0.2019000       12.36000 0.2847000       12.44000      0.2863000     -0.7647000E-01  0.4038000
  1 1 1      -7    6    7 o    13.63000      0.2165000       13.52000 0.3044000       13.73000      0.3080000     -0.2083000      0.4330000
  1 1 1      -7    6    8 o    26.55000      0.3699000       26.26000 0.5178000       26.84000      0.5283000     -0.5803000      0.7397000
  1 1 1      -7    6    9 o    20.91000      0.3013000       20.87000 0.4268000       20.96000      0.4254000     -0.8428000E-01  0.6026000
  1 1 1      -7    6   10 o    15.49000      0.2415000       15.75000 0.3460000       15.24000      0.3370000      0.5053000      0.4830000
  1 1 1      -7    6   11 o    10.01000      0.1989000       9.702000 0.2803000       10.33000      0.2822000     -0.6235000      0.3978000
  1 1 1      -7    6   12 f    11.13000      0.2107000       11.02000 0.2967000       11.24000      0.2994000     -0.2168000      0.4215000
  1 1 1      -7    6   13 o    14.46000      0.2384000       14.48000 0.3369000       14.43000      0.3376000      0.4644000E-01  0.4769000
  1 1 1      -7    6   14 f    8.305000      0.2433000       8.421000 0.3819000       8.188000      0.3014000      0.2331000      0.4866000
  1 1 1      -7    6   15 o    8.909000      0.2101000       9.138000 0.2824000       8.679000      0.3111000      0.4589000      0.4202000
  1 1 1      -7    6   16 o    7.810000      0.3159000       8.186000 0.4054000       7.434000      0.4845000      0.7516000      0.6318000
  1 1 1      -7    6   17 o    5.654000      0.3765000       5.746000 0.4732000       5.563000      0.5856000      0.1830000      0.7529000
  1 1 1      -7    6   18 o    6.971000      0.2316000       6.961000 0.3113000       6.980000      0.3428000     -0.1870000E-01  0.4631000
  1 1 1      -7    6   19 o    3.377000      0.5203000       2.590000 0.8125000       4.165000      0.6502000      -1.575000       1.041000
  1 1 1      -7    6   20 o    10.73000      0.3225000       10.71000 0.4410000       10.75000      0.4706000     -0.3136000E-01  0.6449000
  1 1 1      -7    6   21 o    4.031000      0.5144000       4.031000 0.5144000                  ?              ?              ?              ?
  1 1 1      -7    6   22 o    10.41000      0.2416000       10.12000 0.3328000       10.70000      0.3503000     -0.5761000      0.4832000
  1 1 1      -7    6   23 o    5.059000      0.4633000                  ?       ?   5.059000      0.4633000                  ?              ?
  1 1 1      -7    6   24 o    6.566000      0.2877000       6.738000 0.3924000       6.394000      0.4207000      0.3438000      0.5753000
  1 1 1      -7    6   25 o    6.450000      0.3069000       6.639000 0.4060000       6.260000      0.4604000      0.3786000      0.6138000
  1 1 1      -7    6   26 o    3.354000      0.4996000       3.455000 0.6482000       3.252000      0.7603000      0.2028000      0.9991000
  1 1 1      -7    6   27 o    4.058000      0.4689000       4.077000 0.6074000       4.038000      0.7146000      0.3908000E-01  0.9378000
  1 1 1      -7    6   28 o    7.380000      0.3025000       7.000000 0.4066000       7.760000      0.4481000     -0.7604000      0.6051000
  1 1 1      -7    6   29 o    3.794000      0.5368000       4.169000 0.6088000       3.419000      0.8843000      0.7509000       1.074000
  1 1 1      -7    6   30 o    3.633000      0.5573000       4.017000 0.6999000       3.249000      0.8673000      0.7676000       1.115000
  1 1 1      -7    6   31 o    2.551000      0.6096000       1.751000 0.7721000       3.352000      0.9437000      -1.602000       1.219000
  1 1 1      -7    6   32 o    6.310000      0.3930000       6.545000 0.4897000       6.074000      0.6147000      0.4711000      0.7859000
  1 1 1      -7    6   33 o    5.585000      0.6106000       5.529000 0.7530000       5.642000      0.9615000     -0.1130000       1.221000
  1 1 1      -7    6   34 o    2.436000      0.6986000       2.270000 0.9351000       2.602000       1.038000     -0.3321000       1.397000
  1 1 1      -7    6   35 o    5.170000      0.4203000       5.232000 0.6024000       5.109000      0.5862000      0.1231000      0.8406000
  1 1 1      -7    6   36 o    2.138000      0.6491000       2.431000 0.9883000       1.846000      0.8416000      0.5847000       1.298000
  1 1 1      -7    7    1 o    24.22000      0.3337000       24.47000 0.4762000       23.97000      0.4675000      0.4990000      0.6673000
  1 1 1      -7    7    2 o    40.54000      0.5463000       40.54000 0.7726000       40.54000      0.7724000      0.5722000E-04   1.093000
  1 1 1      -7    7    3 o    8.806000      0.1679000       9.167000 0.2411000       8.446000      0.2338000      0.7213000      0.3358000
  1 1 1      -7    7    4 o    12.28000      0.1974000       12.43000 0.2829000       12.13000      0.2755000      0.3016000      0.3949000
  1 1 1      -7    7    5 o    23.97000      0.3343000       24.01000 0.4736000       23.93000      0.4720000      0.7791000E-01  0.6687000
  1 1 1      -7    7    6 o    10.27000      0.1857000       10.25000 0.2638000       10.28000      0.2614000     -0.2274000E-01  0.3714000
  1 1 1      -7    7    7 o    24.32000      0.3405000       24.51000 0.4854000       24.13000      0.4777000      0.3797000      0.6810000
  1 1 1      -7    7    8 o    8.076000      0.1836000       8.082000 0.2581000       8.070000      0.2613000      0.1227000E-01  0.3672000
  1 1 1      -7    7    9 o    2.518000      0.4051000       2.309000 0.6647000       2.727000      0.4633000     -0.4183000      0.8102000
  1 1 1      -7    7   10 o    13.84000      0.2247000       13.73000 0.3154000       13.95000      0.3203000     -0.2233000      0.4495000
  1 1 1      -7    7   11 o    5.079000      0.2361000       5.011000 0.3379000       5.147000      0.3299000     -0.1359000      0.4722000
  1 1 1      -7    7   12 o    16.80000      0.2602000       16.78000 0.3669000       16.82000      0.3690000     -0.4598000E-01  0.5204000
  1 1 1      -7    7   13 o    4.902000      0.2565000       4.750000 0.3627000       5.054000      0.3628000     -0.3036000      0.5130000
  1 1 1      -7    7   14 o    6.079000      0.2356000       6.200000 0.3378000       5.958000      0.3286000      0.2424000      0.4712000
  1 1 1      -7    7   16 o    10.46000      0.2211000       10.06000 0.3042000       10.86000      0.3209000     -0.7989000      0.4422000
  1 1 1      -7    7   17 o    3.665000      0.3481000       3.331000 0.5070000       3.999000      0.4771000     -0.6679000      0.6962000
  1 1 1      -7    7   18 o    6.084000      0.3416000       6.081000 0.4663000       6.087000      0.4992000     -0.5606000E-02  0.6831000
  1 1 1      -7    7   19 o    2.491000      0.5041000       1.482000 0.6723000       3.501000      0.7513000      -2.019000       1.008000
  1 1 1      -7    7   20 o    6.188000      0.2685000       6.011000 0.3703000       6.365000      0.3888000     -0.3539000      0.5369000
  1 1 1      -7    7   21 o    3.722000      0.3913000       3.443000 0.5602000       4.001000      0.5466000     -0.5577000      0.7826000
  1 1 1      -7    7   22 o    5.367000      0.2949000       5.370000 0.4028000       5.363000      0.4310000      0.6962000E-02  0.5899000
  1 1 1      -7    7   23 o    18.25000      0.2939000       17.68000 0.4024000       18.82000      0.4285000      -1.140000      0.5878000
  1 1 1      -7    7   24 o    1.830000      0.5229000       1.911000 0.7296000       1.750000      0.7493000      0.1614000       1.046000
  1 1 1      -7    7   25 o    2.079000      0.5523000       2.052000 0.7591000       2.106000      0.8024000     -0.5346000E-01   1.105000
  1 1 1      -7    7   26 o    7.314000      0.2882000       7.576000 0.3715000       7.052000      0.4407000      0.5239000      0.5764000
  1 1 1      -7    7   27 o    3.065000      0.5384000       3.777000 0.6386000       2.353000      0.8670000       1.424000       1.077000
  1 1 1      -7    7   28 o    6.977000      0.3111000       7.048000 0.4108000       6.906000      0.4674000      0.1414000      0.6223000
  1 1 1      -7    7   29 o    9.033000      0.2903000       8.784000 0.3864000       9.282000      0.4333000     -0.4985000      0.5805000
  1 1 1      -7    7   30 o    2.068000      0.6008000       2.077000 0.8305000       2.059000      0.8685000      0.1728000E-01   1.202000
  1 1 1      -7    7   31 o    4.023000      0.5608000       4.235000 0.6462000       3.811000      0.9167000      0.4238000       1.122000
  1 1 1      -7    7   32 o    3.057000      0.7528000       2.523000 0.9552000       3.590000       1.164000      -1.067000       1.506000
  1 1 1      -7    7   33 o    8.167000      0.4460000       9.076000 0.5356000       7.258000      0.7132000       1.818000      0.8920000
  1 1 1      -7    7   34 o    3.142000      0.5659000       2.196000 0.8495000       4.087000      0.7479000      -1.891000       1.132000
  1 1 1      -7    7   35 o    3.066000      0.7413000       2.874000 1.085000       3.259000       1.010000     -0.3840000       1.483000
  1 1 1      -7    8    1 o    8.405000      0.1581000       8.445000 0.2282000       8.364000      0.2189000      0.8099000E-01  0.3163000
  1 1 1      -7    8    2 o    1.631000      0.3690000       1.748000 0.5265000       1.514000      0.5171000      0.2337000      0.7380000
  1 1 1      -7    8    3 f    13.36000      0.2053000       13.30000 0.2903000       13.42000      0.2905000     -0.1190000      0.4107000
  1 1 1      -7    8    4 o    1.339000      0.3636000       1.474000 0.5305000       1.204000      0.4974000      0.2691000      0.7272000
  1 1 1      -7    8    5 o    14.70000      0.2239000       14.58000 0.3147000       14.81000      0.3185000     -0.2345000      0.4478000
  1 1 1      -7    8    6 o    7.418000      0.1771000       7.370000 0.2532000       7.465000      0.2476000     -0.9509000E-01  0.3542000
  1 1 1      -7    8    7 o    10.40000      0.1912000       10.46000 0.2717000       10.35000      0.2691000      0.1163000      0.3824000
  1 1 1      -7    8    8 o    17.25000      0.2576000       17.47000 0.3677000       17.04000      0.3607000      0.4279000      0.5151000
  1 1 1      -7    8    9 o    6.826000      0.1922000       6.791000 0.2720000       6.861000      0.2715000     -0.7047000E-01  0.3843000
  1 1 1      -7    8   10 o    6.908000      0.1995000       7.133000 0.2787000       6.684000      0.2855000      0.4485000      0.3990000
  1 1 1      -7    8   11 o    3.000000      0.3579000       3.238000 0.4551000       2.762000      0.5526000      0.4760000      0.7159000
  1 1 1      -7    8   12 o    8.509000      0.2012000       8.631000 0.2876000       8.388000      0.2816000      0.2424000      0.4024000
  1 1 1      -7    8   13 o    7.634000      0.2930000       7.829000 0.3939000       7.440000      0.4337000      0.3892000      0.5859000
  1 1 1      -7    8   14 o    5.532000      0.3294000       5.766000 0.4084000       5.298000      0.5168000      0.4673000      0.6587000
  1 1 1      -7    8   15 o    6.124000      0.2479000       5.903000 0.3635000       6.346000      0.3371000     -0.4426000      0.4957000
  1 1 1      -7    8   16 o    3.971000      0.3456000       4.107000 0.4503000       3.835000      0.5245000      0.2719000      0.6913000
  1 1 1      -7    8   17 f    8.537000      0.3329000       8.798000 0.4938000       8.277000      0.4466000      0.5204000      0.6657000
  1 1 1      -7    8   18 f    4.455000      0.4065000       4.487000 0.4619000       4.424000      0.6691000      0.6316000E-01  0.8131000
  1 1 1      -7    8   19 o    2.296000      0.5077000       2.448000 0.6721000       2.144000      0.7610000      0.3042000       1.015000
  1 1 1      -7    8   20 o    3.053000      0.4527000       3.239000 0.5805000       2.868000      0.6947000      0.3708000      0.9053000
  1 1 1      -7    8   21 f    7.729000      0.2516000       7.600000 0.3329000       7.857000      0.3774000     -0.2562000      0.5032000
  1 1 1      -7    8   22 o    7.064000      0.2689000       6.756000 0.3647000       7.372000      0.3954000     -0.6166000      0.5379000
  1 1 1      -7    8   23 o    10.01000      0.2500000       9.937000 0.3390000       10.09000      0.3677000     -0.1502000      0.5001000
  1 1 1      -7    8   24 o    8.925000      0.2564000       9.214000 0.3456000       8.637000      0.3788000      0.5770000      0.5128000
  1 1 1      -7    8   25 o    3.981000      0.4253000       4.062000 0.5465000       3.901000      0.6517000      0.1611000      0.8505000
  1 1 1      -7    8   26 o    2.129000      0.5718000       2.112000 0.7839000       2.147000      0.8327000     -0.3555000E-01   1.144000
  1 1 1      -7    8   27 o    3.139000      0.5324000       3.099000 0.7158000       3.178000      0.7882000     -0.7818000E-01   1.065000
  1 1 1      -7    8   28 o    7.850000      0.2943000       8.004000 0.3887000       7.695000      0.4420000      0.3094000      0.5886000
  1 1 1      -7    8   29 o    6.879000      0.3389000       7.106000 0.4244000       6.652000      0.5285000      0.4542000      0.6778000
  1 1 1      -7    8   30 o    2.353000      0.5453000       3.172000 0.8106000       1.534000      0.7296000       1.638000       1.091000
  1 1 1      -7    8   31 o    4.735000      0.6677000       4.445000 0.8106000       5.025000       1.061000     -0.5797000       1.335000
  1 1 1      -7    8   32 o    4.656000      0.6827000       4.856000 0.7620000       4.457000       1.133000      0.3991000       1.365000
  1 1 1      -7    8   33 o    4.592000      0.4852000       4.432000 0.6614000       4.752000      0.7101000     -0.3201000      0.9704000
  1 1 1      -7    8   35 o    3.777000      0.7412000       3.460000 1.076000       4.094000       1.020000     -0.6332000       1.482000
  1 1 1      -7    9    1 o    2.705000      0.2626000       3.171000 0.3136000       2.238000      0.4212000      0.9336000      0.5251000
  1 1 1      -7    9    2 o    3.079000      0.2464000       3.129000 0.3434000       3.029000      0.3535000      0.1002000      0.4928000
  1 1 1      -7    9    3 o    17.00000      0.2468000       16.77000 0.3467000       17.22000      0.3514000     -0.4460000      0.4936000
  1 1 1      -7    9    4 o    8.723000      0.1722000       8.779000 0.2438000       8.667000      0.2433000      0.1120000      0.3444000
  1 1 1      -7    9    5 o    8.779000      0.1745000       8.610000 0.2476000       8.948000      0.2459000     -0.3380000      0.3489000
  1 1 1      -7    9    6 o    12.84000      0.2076000       12.79000 0.2945000       12.88000      0.2928000     -0.9564000E-01  0.4152000
  1 1 1      -7    9    7 o    12.32000      0.2050000       12.34000 0.2919000       12.30000      0.2879000      0.4341000E-01  0.4100000
  1 1 1      -7    9    8 o    18.49000      0.2722000       18.41000 0.3854000       18.57000      0.3846000     -0.1604000      0.5445000
  1 1 1      -7    9    9 o    9.937000      0.1967000       9.705000 0.2784000       10.17000      0.2779000     -0.4635000      0.3933000
  1 1 1      -7    9   10 o    10.31000      0.2002000       10.34000 0.2839000       10.28000      0.2823000      0.5315000E-01  0.4004000
  1 1 1      -7    9   11 o    2.359000      0.4098000       2.816000 0.5289000       1.903000      0.6260000      0.9130000      0.8196000
  1 1 1      -7    9   12 o    10.53000      0.2881000       10.60000 0.3918000       10.45000      0.4225000      0.1580000      0.5762000
  1 1 1      -7    9   13 o    4.645000      0.3177000       4.775000 0.4912000       4.514000      0.4030000      0.2605000      0.6354000
  1 1 1      -7    9   14 o    4.874000      0.2691000       4.861000 0.3869000       4.886000      0.3742000     -0.2515000E-01  0.5383000
  1 1 1      -7    9   15 o    3.404000      0.4839000       3.424000 0.8691000       3.384000      0.4257000      0.4064000E-01  0.9677000
  1 1 1      -7    9   16 o    5.977000      0.3878000       6.693000 0.5698000       5.261000      0.5262000       1.431000      0.7756000
  1 1 1      -7    9   17 o    8.288000      0.2413000       8.446000 0.3423000       8.130000      0.3402000      0.3155000      0.4826000
  1 1 1      -7    9   18 o    5.659000      0.2884000       5.950000 0.3934000       5.368000      0.4218000      0.5814000      0.5767000
  1 1 1      -7    9   19 o    5.954000      0.2845000       5.811000 0.3923000       6.098000      0.4123000     -0.2869000      0.5691000
  1 1 1      -7    9   20 o    14.69000      0.2621000       14.87000 0.3716000       14.50000      0.3698000      0.3779000      0.5243000
  1 1 1      -7    9   21 o    10.49000      0.2389000       10.74000 0.3208000       10.23000      0.3540000      0.5100000      0.4777000
  1 1 1      -7    9   22 f    7.323000      0.2631000       7.380000 0.3628000       7.267000      0.3810000      0.1138000      0.5261000
  1 1 1      -7    9   23 o    2.049000      0.5401000       2.246000 0.7667000       1.852000      0.7608000      0.3936000       1.080000
  1 1 1      -7    9   24 o    5.432000      0.3385000       5.413000 0.4576000       5.450000      0.4990000     -0.3670000E-01  0.6770000
  1 1 1      -7    9   25 o    8.108000      0.2728000       7.991000 0.3629000       8.225000      0.4075000     -0.2341000      0.5457000
  1 1 1      -7    9   26 o    2.629000      0.5075000       3.544000 0.6802000       1.715000      0.7533000       1.828000       1.015000
  1 1 1      -7    9   27 o    2.169000      0.5744000       2.223000 0.7730000       2.116000      0.8499000      0.1076000       1.149000
  1 1 1      -7    9   28 o    5.812000      0.3578000       5.849000 0.4596000       5.775000      0.5485000      0.7361000E-01  0.7156000
  1 1 1      -7    9   29 o    3.228000      0.6166000       3.059000 0.8442000       3.397000      0.8989000     -0.3375000       1.233000
  1 1 1      -7    9   30 o    5.966000      0.5642000       5.998000 0.6463000       5.934000      0.9249000      0.6324000E-01   1.128000
  1 1 1      -7    9   31 o    6.294000      0.5261000       5.947000 0.6512000       6.641000      0.8265000     -0.6937000       1.052000
  1 1 1      -7    9   32 o    4.831000      0.4663000       4.661000 0.6069000       5.001000      0.7080000     -0.3403000      0.9325000
  1 1 1      -7    9   33 o    3.919000      0.7421000       3.864000 1.053000       3.975000       1.046000     -0.1105000       1.484000
  1 1 1      -7    9   34 o    3.455000      0.7706000       3.465000 1.080000       3.446000       1.099000      0.1878000E-01   1.541000
  1 1 1      -7    9   35 o    2.231000      0.5723000       1.536000 0.7188000       2.926000      0.8908000      -1.390000       1.145000
  1 1 1      -7   10    1 o    11.91000      0.1884000       11.93000 0.2698000       11.89000      0.2632000      0.4125000E-01  0.3769000
  1 1 1      -7   10    2 o    6.588000      0.1636000       6.510000 0.2357000       6.665000      0.2271000     -0.1549000      0.3273000
  1 1 1      -7   10    3 o    6.601000      0.1686000       6.754000 0.2398000       6.448000      0.2372000      0.3066000      0.3373000
  1 1 1      -7   10    4 o    1.116000      0.3454000       1.075000 0.4802000       1.158000      0.4967000     -0.8286000E-01  0.6909000
  1 1 1      -7   10    5 f    6.123000      0.1776000       6.160000 0.2522000       6.087000      0.2501000      0.7333000E-01  0.3552000
  1 1 1      -7   10    6 o    3.799000      0.2420000       3.775000 0.3449000       3.823000      0.3396000     -0.4779000E-01  0.4840000
  1 1 1      -7   10    7 o    15.33000      0.2356000       15.43000 0.3356000       15.23000      0.3306000      0.1967000      0.4711000
  1 1 1      -7   10    8 f    4.328000      0.2430000       4.722000 0.3245000       3.935000      0.3619000      0.7874000      0.4861000
  1 1 1      -7   10    9 o    8.603000      0.1945000       8.874000 0.2732000       8.331000      0.2770000      0.5423000      0.3891000
  1 1 1      -7   10   10 o    6.572000      0.2751000       6.681000 0.3710000       6.463000      0.4063000      0.2189000      0.5502000
  1 1 1      -7   10   11 o    7.573000      0.2785000       7.858000 0.3724000       7.288000      0.4141000      0.5706000      0.5569000
  1 1 1      -7   10   12 o    5.019000      0.2476000       4.890000 0.3557000       5.147000      0.3446000     -0.2571000      0.4952000
  1 1 1      -7   10   13 o    4.661000      0.2833000       4.606000 0.3964000       4.717000      0.4048000     -0.1113000      0.5666000
  1 1 1      -7   10   14 o    7.184000      0.3362000       7.711000 0.5079000       6.657000      0.4407000       1.054000      0.6725000
  1 1 1      -7   10   15 o    8.232000      0.2714000       8.286000 0.3150000       8.177000      0.4420000      0.1092000      0.5427000
  1 1 1      -7   10   16 o    4.955000      0.3005000       5.161000 0.4211000       4.750000      0.4290000      0.4116000      0.6011000
  1 1 1      -7   10   17 o    2.338000      0.5130000       2.184000 0.7102000       2.493000      0.7405000     -0.3085000       1.026000
  1 1 1      -7   10   18 o    8.834000      0.2382000       8.995000 0.3348000       8.674000      0.3389000      0.3211000      0.4764000
  1 1 1      -7   10   19 o    5.237000      0.3072000       4.921000 0.4475000       5.554000      0.4211000     -0.6330000      0.6145000
  1 1 1      -7   10   20 o    15.10000      0.2662000       14.91000 0.3751000       15.29000      0.3778000     -0.3797000      0.5324000
  1 1 1      -7   10   21 o    4.161000      0.4111000       4.456000 0.5203000       3.865000      0.6367000      0.5910000      0.8222000
  1 1 1      -7   10   22 o    10.47000      0.3641000       10.47000 0.3641000                  ?              ?              ?              ?
  1 1 1      -7   10   23 o    7.213000      0.2790000       7.747000 0.3472000       6.679000      0.4369000       1.068000      0.5580000
  1 1 1      -7   10   24 o    5.789000      0.5084000                  ?       ?   5.789000      0.5084000                  ?              ?
  1 1 1      -7   10   25 o    7.276000      0.2905000       7.268000 0.3848000       7.283000      0.4352000     -0.1519000E-01  0.5810000
  1 1 1      -7   10   26 o    3.852000      0.4821000       3.797000 0.6372000       3.906000      0.7237000     -0.1086000      0.9643000
  1 1 1      -7   10   27 o    3.898000      0.4993000       4.116000 0.6159000       3.679000      0.7861000      0.4363000      0.9986000
  1 1 1      -7   10   28 o    3.595000      0.5704000       4.052000 0.6796000       3.137000      0.9164000      0.9150000       1.141000
  1 1 1      -7   10   29 o    12.65000      0.4003000       13.36000 0.5311000       11.95000      0.5991000       1.410000      0.8006000
  1 1 1      -7   10   30 f    8.146000      0.3189000       8.111000 0.4197000       8.181000      0.4803000     -0.7047000E-01  0.6379000
  1 1 1      -7   10   31 o    7.180000      0.3483000       6.641000 0.4721000       7.720000      0.5124000      -1.079000      0.6967000
  1 1 1      -7   10   32 o    2.867000      0.7316000       2.323000 0.9821000       3.411000       1.085000      -1.089000       1.463000
  1 1 1      -7   10   33 o    4.089000      0.6349000       3.650000 0.7554000       4.528000       1.021000     -0.8779000       1.270000
  1 1 1      -7   10   34 o    1.933000      0.5798000       2.197000 0.8760000       1.669000      0.7597000      0.5274000       1.160000
  1 1 1      -7   11    1 o    6.633000      0.1654000       6.516000 0.2410000       6.750000      0.2264000     -0.2348000      0.3307000
  1 1 1      -7   11    2 o    4.587000      0.2000000       4.597000 0.2903000       4.578000      0.2753000      0.1951000E-01  0.4001000
  1 1 1      -7   11    3 o    1.904000      0.3522000       1.383000 0.5365000       2.425000      0.4563000      -1.041000      0.7043000
  1 1 1      -7   11    4 o    4.432000      0.2058000       4.470000 0.3010000       4.395000      0.2808000      0.7473000E-01  0.4116000
  1 1 1      -7   11    5 o    4.591000      0.2000000       4.688000 0.2820000       4.494000      0.2836000      0.1938000      0.3999000
  1 1 1      -7   11    6 o    3.327000      0.2775000       2.986000 0.4214000       3.668000      0.3611000     -0.6815000      0.5550000
  1 1 1      -7   11    7 o    4.772000      0.2224000       4.658000 0.3223000       4.886000      0.3066000     -0.2281000      0.4448000
  1 1 1      -7   11    8 o    4.842000      0.2968000       4.628000 0.4069000       5.056000      0.4322000     -0.4284000      0.5937000
  1 1 1      -7   11    9 o    4.685000      0.3284000       4.551000 0.4480000       4.820000      0.4802000     -0.2689000      0.6567000
  1 1 1      -7   11   10 o    7.876000      0.2007000       7.846000 0.2902000       7.906000      0.2774000     -0.6039000E-01  0.4014000
  1 1 1      -7   11   11 o    6.814000      0.2130000       6.408000 0.3146000       7.220000      0.2872000     -0.8120000      0.4259000
  1 1 1      -7   11   12 o    5.235000      0.3836000       5.103000 0.6218000       5.367000      0.4493000     -0.2640000      0.7672000
  1 1 1      -7   11   13 f    2.457000      0.5777000       2.112000 0.8540000       2.803000      0.7782000     -0.6913000       1.155000
  1 1 1      -7   11   14 o    7.555000      0.2239000       7.716000 0.3204000       7.395000      0.3128000      0.3209000      0.4478000
  1 1 1      -7   11   15 o    5.217000      0.2833000       5.081000 0.4045000       5.353000      0.3967000     -0.2721000      0.5665000
  1 1 1      -7   11   16 o    4.574000      0.3201000       4.637000 0.4387000       4.511000      0.4663000      0.1261000      0.6402000
  1 1 1      -7   11   17 o    4.256000      0.3289000       4.616000 0.4307000       3.897000      0.4973000      0.7190000      0.6579000
  1 1 1      -7   11   18 o    3.256000      0.4377000       3.077000 0.6554000       3.435000      0.5802000     -0.3588000      0.8754000
  1 1 1      -7   11   19 o    5.373000      0.2957000       5.096000 0.4279000       5.649000      0.4081000     -0.5525000      0.5913000
  1 1 1      -7   11   20 o    10.55000      0.2786000       11.00000 0.4399000       10.11000      0.3419000      0.8825000      0.5571000
  1 1 1      -7   11   21 o    4.773000      0.3545000       4.969000 0.4864000       4.578000      0.5160000      0.3906000      0.7091000
  1 1 1      -7   11   22 o    10.81000      0.3626000       10.81000 0.3626000                  ?              ?              ?              ?
  1 1 1      -7   11   23 o    5.974000      0.3164000       6.108000 0.4330000       5.840000      0.4616000      0.2682000      0.6329000
  1 1 1      -7   11   24 o    9.964000      0.3794000                  ?       ?   9.964000      0.3794000                  ?              ?
  1 1 1      -7   11   25 o    9.150000      0.2750000       9.327000 0.3590000       8.972000      0.4165000      0.3549000      0.5499000
  1 1 1      -7   11   26 f    4.392000      0.4680000       4.766000 0.5501000       4.018000      0.7572000      0.7474000      0.9359000
  1 1 1      -7   11   27 o    6.428000      0.3432000       5.942000 0.4746000       6.915000      0.4960000     -0.9734000      0.6864000
  1 1 1      -7   11   28 o    2.497000      0.6951000       1.777000 0.8155000       3.217000       1.126000      -1.440000       1.390000
  1 1 1      -7   11   29 o    7.989000      0.3227000       8.045000 0.4195000       7.932000      0.4905000      0.1135000      0.6454000
  1 1 1      -7   11   30 o    1.926000      0.5904000       1.806000 0.7838000       2.046000      0.8833000     -0.2401000       1.181000
  1 1 1      -7   11   31 o    3.645000      0.7230000       3.049000 1.047000       4.241000      0.9971000      -1.192000       1.446000
  1 1 1      -7   11   32 o    2.307000      0.6318000       2.333000 0.8682000       2.281000      0.9182000      0.5146000E-01   1.264000
  1 1 1      -7   11   33 o    2.899000      0.6305000       3.148000 0.8496000       2.650000      0.9319000      0.4977000       1.261000
  1 1 1      -7   11   34 o    1.680000      0.5395000       1.832000 0.8076000       1.529000      0.7156000      0.3027000       1.079000
  1 1 1      -7   12    1 o    11.07000      0.1887000       11.15000 0.2728000       11.00000      0.2607000      0.1498000      0.3773000
  1 1 1      -7   12    2 o    3.584000      0.2381000       3.518000 0.3656000       3.649000      0.3050000     -0.1312000      0.4761000
  1 1 1      -7   12    3 o    9.459000      0.1786000       9.595000 0.2554000       9.323000      0.2497000      0.2723000      0.3571000
  1 1 1      -7   12    4 o    8.834000      0.1786000       8.690000 0.2566000       8.979000      0.2485000     -0.2895000      0.3572000
  1 1 1      -7   12    5 o    5.119000      0.2643000       4.945000 0.3664000       5.293000      0.3810000     -0.3476000      0.5286000
  1 1 1      -7   12    6 o    2.854000      0.4263000       2.843000 0.5612000       2.865000      0.6418000     -0.2163000E-01  0.8526000
  1 1 1      -7   12    7 o    5.763000      0.2358000       5.877000 0.3749000       5.649000      0.2862000      0.2276000      0.4717000
  1 1 1      -7   12    8 o    5.633000      0.2165000       5.744000 0.3008000       5.523000      0.3115000      0.2213000      0.4331000
  1 1 1      -7   12    9 o    2.384000      0.4235000       2.177000 0.6465000       2.591000      0.5471000     -0.4133000      0.8470000
  1 1 1      -7   12   10 o    3.054000      0.5211000       2.700000 0.8405000       3.409000      0.6164000     -0.7090000       1.042000
  1 1 1      -7   12   11 o    3.036000      0.5390000       2.739000 0.8439000       3.333000      0.6708000     -0.5944000       1.078000
  1 1 1      -7   12   12 o    3.116000      0.3989000       3.038000 0.5928000       3.195000      0.5341000     -0.1574000      0.7979000
  1 1 1      -7   12   13 o    8.032000      0.2229000       7.850000 0.3200000       8.214000      0.3103000     -0.3647000      0.4458000
  1 1 1      -7   12   14 o    5.510000      0.2589000       5.567000 0.3602000       5.453000      0.3719000      0.1140000      0.5177000
  1 1 1      -7   12   15 o    9.445000      0.2204000       9.555000 0.3167000       9.335000      0.3066000      0.2194000      0.4408000
  1 1 1      -7   12   16 o    14.67000      0.2517000       14.43000 0.3539000       14.92000      0.3581000     -0.4894000      0.5034000
  1 1 1      -7   12   17 o    2.943000      0.4529000       1.994000 0.7360000       3.892000      0.5281000      -1.897000      0.9058000
  1 1 1      -7   12   18 o    3.059000      0.4801000       3.017000 0.6781000       3.101000      0.6798000     -0.8377000E-01  0.9602000
  1 1 1      -7   12   19 o    9.455000      0.2430000       9.644000 0.3503000       9.265000      0.3369000      0.3785000      0.4861000
  1 1 1      -7   12   20 o    14.91000      0.2658000       14.87000 0.3798000       14.95000      0.3718000     -0.7049000E-01  0.5315000
  1 1 1      -7   12   21 o    10.57000      0.2544000       10.64000 0.3644000       10.50000      0.3550000      0.1420000      0.5087000
  1 1 1      -7   12   22 o    9.546000      0.2626000       9.525000 0.3768000       9.567000      0.3658000     -0.4269000E-01  0.5252000
  1 1 1      -7   12   23 o    4.234000      0.4491000       4.171000 0.6191000       4.296000      0.6506000     -0.1249000      0.8981000
  1 1 1      -7   12   24 o    7.062000      0.3257000       7.072000 0.4544000       7.052000      0.4667000      0.1978000E-01  0.6514000
  1 1 1      -7   12   25 f    3.779000      0.5354000       3.657000 0.7471000       3.902000      0.7672000     -0.2455000       1.071000
  1 1 1      -7   12   26 o    5.497000      0.4846000       5.299000 0.5147000       5.696000      0.8211000     -0.3966000      0.9691000
  1 1 1      -7   12   27 o    4.465000      0.6342000       4.200000 0.8322000       4.731000      0.9571000     -0.5310000       1.268000
  1 1 1      -7   12   28 o    1.861000      0.5597000       1.976000 0.7927000       1.745000      0.7905000      0.2307000       1.119000
  1 1 1      -7   12   29 o    1.655000      0.5349000       1.716000 0.7536000       1.594000      0.7594000      0.1222000       1.070000
  1 1 1      -7   12   30 o    2.111000      0.6573000       2.374000 0.9895000       1.847000      0.8654000      0.5273000       1.315000
  1 1 1      -7   12   31 o    3.479000      0.5709000       4.214000 0.6678000       2.745000      0.9261000       1.469000       1.142000
  1 1 1      -7   12   32 o    3.442000      0.6083000       3.770000 0.7888000       3.115000      0.9261000      0.6550000       1.217000
  1 1 1      -7   12   33 o    1.805000      0.5603000       2.044000 0.8503000       1.567000      0.7299000      0.4769000       1.121000
  1 1 1      -7   13    1 o    5.313000      0.2134000       5.457000 0.3136000       5.169000      0.2894000      0.2880000      0.4267000
  1 1 1      -7   13    2 o    4.660000      0.3428000       3.954000 0.5390000       5.366000      0.4236000      -1.412000      0.6855000
  1 1 1      -7   13    3 o    15.25000      0.3257000       15.37000 0.4627000       15.13000      0.4585000      0.2392000      0.6514000
  1 1 1      -7   13    4 o    9.467000      0.2624000       9.353000 0.3704000       9.582000      0.3719000     -0.2292000      0.5248000
  1 1 1      -7   13    5 o    4.355000      0.2437000       4.083000 0.3648000       4.626000      0.3233000     -0.5426000      0.4874000
  1 1 1      -7   13    6 o    4.015000      0.2568000       4.078000 0.3655000       3.951000      0.3608000      0.1273000      0.5136000
  1 1 1      -7   13    7 o    7.025000      0.2555000       6.763000 0.4438000       7.286000      0.2533000     -0.5238000      0.5110000
  1 1 1      -7   13    8 o    2.644000      0.5208000       2.295000 0.8114000       2.994000      0.6530000     -0.6989000       1.042000
  1 1 1      -7   13    9 o    2.981000      0.5272000       2.773000 0.8177000       3.189000      0.6655000     -0.4155000       1.054000
  1 1 1      -7   13   10 o    5.246000      0.2460000       5.113000 0.3551000       5.380000      0.3407000     -0.2661000      0.4921000
  1 1 1      -7   13   11 o    9.037000      0.2088000       9.268000 0.2951000       8.806000      0.2955000      0.4618000      0.4176000
  1 1 1      -7   13   12 o    4.672000      0.2689000       4.791000 0.3718000       4.552000      0.3885000      0.2389000      0.5378000
  1 1 1      -7   13   13 o    2.549000      0.4670000       2.680000 0.6455000       2.419000      0.6751000      0.2612000      0.9340000
  1 1 1      -7   13   14 o    7.332000      0.2303000       7.426000 0.3272000       7.237000      0.3241000      0.1893000      0.4606000
  1 1 1      -7   13   15 o    2.812000      0.4562000       2.578000 0.6638000       3.045000      0.6259000     -0.4670000      0.9123000
  1 1 1      -7   13   16 f    6.066000      0.2635000       5.769000 0.3857000       6.363000      0.3592000     -0.5940000      0.5270000
  1 1 1      -7   13   17 f    7.838000      0.2455000       7.758000 0.3431000       7.917000      0.3513000     -0.1592000      0.4910000
  1 1 1      -7   13   18 o    8.355000      0.2435000       8.317000 0.3440000       8.393000      0.3446000     -0.7579000E-01  0.4869000
  1 1 1      -7   13   19 o    10.18000      0.2462000       10.17000 0.3515000       10.19000      0.3448000     -0.2050000E-01  0.4924000
  1 1 1      -7   13   20 o    12.21000      0.2512000       12.31000 0.3590000       12.10000      0.3515000      0.2120000      0.5024000
  1 1 1      -7   13   21 o    3.217000      0.5087000       2.587000 0.7805000       3.848000      0.6525000      -1.262000       1.017000
  1 1 1      -7   13   22 o    2.318000      0.5524000       2.782000 0.7838000       1.853000      0.7787000      0.9284000       1.105000
  1 1 1      -7   13   23 o    5.439000      0.3782000       5.716000 0.4935000       5.162000      0.5734000      0.5540000      0.7565000
  1 1 1      -7   13   24 o    3.755000      0.5332000       4.496000 0.6062000       3.013000      0.8773000       1.484000       1.066000
  1 1 1      -7   13   25 o    8.038000      0.4052000       8.036000 0.5156000       8.039000      0.6253000     -0.2790000E-02  0.8105000
  1 1 1      -7   13   26 o    2.601000      0.6550000       2.630000 0.9558000       2.571000      0.8960000      0.5869000E-01   1.310000
  1 1 1      -7   13   27 o    2.769000      0.6145000       2.207000 0.8583000       3.331000      0.8797000      -1.124000       1.229000
  1 1 1      -7   13   28 o    2.503000       1.063000                  ?       ?   2.503000       1.063000                  ?              ?
  1 1 1      -7   13   30 o    2.934000      0.6234000       2.718000 0.8550000       3.149000      0.9074000     -0.4310000       1.247000
  1 1 1      -7   13   31 o    4.541000      0.5005000       5.330000 0.5528000       3.752000      0.8344000       1.577000       1.001000
  1 1 1      -7   13   32 o    1.958000      0.5895000       1.682000 0.7516000       2.234000      0.9083000     -0.5515000       1.179000
  1 1 1      -7   14    1 f    5.162000      0.4231000       4.553000 0.6837000       5.772000      0.4987000      -1.219000      0.8462000
  1 1 1      -7   14    2 o    1.448000      0.4169000       1.621000 0.6298000       1.275000      0.5463000      0.3456000      0.8337000
  1 1 1      -7   14    3 o    8.381000      0.1868000       8.307000 0.2696000       8.455000      0.2586000     -0.1478000      0.3735000
  1 1 1      -7   14    4 o    10.05000      0.1911000       9.917000 0.2705000       10.19000      0.2700000     -0.2729000      0.3822000
  1 1 1      -7   14    5 o    5.767000      0.2932000       6.016000 0.4497000       5.518000      0.3764000      0.4976000      0.5864000
  1 1 1      -7   14    6 o    1.798000      0.4934000       1.573000 0.6977000       2.023000      0.6978000     -0.4496000      0.9868000
  1 1 1      -7   14    7 o    5.908000      0.2171000       5.809000 0.3232000       6.007000      0.2900000     -0.1976000      0.4342000
  1 1 1      -7   14    8 o    5.018000      0.2399000       5.319000 0.3202000       4.717000      0.3573000      0.6021000      0.4798000
  1 1 1      -7   14    9 o    5.056000      0.2419000       5.033000 0.3532000       5.080000      0.3306000     -0.4698000E-01  0.4837000
  1 1 1      -7   14   10 o    7.656000      0.2092000       7.622000 0.2949000       7.690000      0.2969000     -0.6764000E-01  0.4184000
  1 1 1      -7   14   11 o    1.739000      0.4441000       1.351000 0.5941000       2.127000      0.6601000     -0.7760000      0.8881000
  1 1 1      -7   14   12 o    1.342000      0.4201000       1.411000 0.6098000       1.274000      0.5781000      0.1371000      0.8403000
  1 1 1      -7   14   13 o    9.290000      0.2151000       9.631000 0.3026000       8.949000      0.3059000      0.6824000      0.4303000
  1 1 1      -7   14   14 o    7.102000      0.2365000       7.013000 0.3333000       7.192000      0.3356000     -0.1788000      0.4729000
  1 1 1      -7   14   15 o    4.274000      0.3453000       3.544000 0.5632000       5.005000      0.3998000      -1.461000      0.6907000
  1 1 1      -7   14   16 o    5.303000      0.2985000       5.247000 0.4209000       5.359000      0.4234000     -0.1122000      0.5970000
  1 1 1      -7   14   17 o    10.76000      0.2363000       10.70000 0.3366000       10.82000      0.3318000     -0.1219000      0.4726000
  1 1 1      -7   14   18 o    14.32000      0.2583000       14.48000 0.3705000       14.17000      0.3598000      0.3099000      0.5165000
  1 1 1      -7   14   19 o    11.33000      0.2459000       11.43000 0.3542000       11.23000      0.3410000      0.2025000      0.4917000
  1 1 1      -7   14   20 f    12.23000      0.2537000       12.22000 0.3623000       12.24000      0.3551000     -0.2758000E-01  0.5073000
  1 1 1      -7   14   21 f    5.408000      0.3463000       5.090000 0.5165000       5.726000      0.4614000     -0.6362000      0.6926000
  1 1 1      -7   14   22 o    5.433000      0.3429000       5.672000 0.4747000       5.193000      0.4949000      0.4790000      0.6858000
  1 1 1      -7   14   23 o    9.060000      0.3456000       9.283000 0.4580000       8.836000      0.5177000      0.4475000      0.6913000
  1 1 1      -7   14   24 o    3.755000      0.6404000       3.907000 0.8016000       3.603000      0.9989000      0.3046000       1.281000
  1 1 1      -7   14   25 o    1.853000      0.5704000       1.751000 0.7788000       1.956000      0.8337000     -0.2049000       1.141000
  1 1 1      -7   14   26 o    1.861000      0.5756000       1.908000 0.8095000       1.814000      0.8184000      0.9395000E-01   1.151000
  1 1 1      -7   14   27 o    2.956000      0.8162000       3.105000 1.260000       2.807000       1.038000      0.2986000       1.632000
  1 1 1      -7   14   28 o    1.704000      0.5454000       1.661000 0.7605000       1.748000      0.7819000     -0.8628000E-01   1.091000
  1 1 1      -7   14   29 o    3.750000      0.6067000       4.322000 0.7584000       3.178000      0.9473000       1.144000       1.213000
  1 1 1      -7   14   30 o    2.893000      0.6458000       2.732000 0.8736000       3.054000      0.9514000     -0.3214000       1.292000
  1 1 1      -7   14   31 o    2.289000      0.5931000       1.751000 0.7666000       2.827000      0.9053000      -1.077000       1.186000
  1 1 1      -7   14   32 o    2.164000      0.6078000       2.528000 0.9082000       1.800000      0.8081000      0.7286000       1.216000
  1 1 1      -7   15    1 o    6.793000      0.2538000       7.021000 0.3757000       6.565000      0.3413000      0.4568000      0.5076000
  1 1 1      -7   15    2 o    5.307000      0.2842000       5.772000 0.4144000       4.841000      0.3891000      0.9309000      0.5684000
  1 1 1      -7   15    3 o    6.011000      0.2831000       5.780000 0.4348000       6.242000      0.3626000     -0.4615000      0.5662000
  1 1 1      -7   15    4 o    7.781000      0.2000000       7.553000 0.2911000       8.009000      0.2744000     -0.4552000      0.4001000
  1 1 1      -7   15    5 o    10.49000      0.2011000       10.59000 0.2923000       10.39000      0.2762000      0.1983000      0.4022000
  1 1 1      -7   15    6 o    4.311000      0.2607000       4.324000 0.3867000       4.298000      0.3497000      0.2624000E-01  0.5214000
  1 1 1      -7   15    7 o    9.687000      0.2054000       10.08000 0.2979000       9.300000      0.2828000      0.7758000      0.4107000
  1 1 1      -7   15    8 o    8.214000      0.2005000       8.146000 0.2908000       8.282000      0.2761000     -0.1357000      0.4010000
  1 1 1      -7   15    9 o    5.885000      0.2258000       5.854000 0.3261000       5.917000      0.3123000     -0.6295000E-01  0.4515000
  1 1 1      -7   15   10 o    2.858000      0.3910000       2.730000 0.5768000       2.986000      0.5280000     -0.2563000      0.7820000
  1 1 1      -7   15   11 o    7.415000      0.2167000       7.337000 0.3117000       7.493000      0.3010000     -0.1566000      0.4333000
  1 1 1      -7   15   12 o    5.808000      0.2560000       5.512000 0.3830000       6.105000      0.3398000     -0.5931000      0.5120000
  1 1 1      -7   15   13 o    1.629000      0.4656000       1.468000 0.6278000       1.790000      0.6878000     -0.3220000      0.9312000
  1 1 1      -7   15   14 o    1.971000      0.5004000       1.813000 0.7001000       2.129000      0.7153000     -0.3162000       1.001000
  1 1 1      -7   15   15 o    3.999000      0.3542000       3.486000 0.5462000       4.513000      0.4511000      -1.027000      0.7084000
  1 1 1      -7   15   16 o    2.645000      0.4925000       2.930000 0.6704000       2.360000      0.7215000      0.5697000      0.9849000
  1 1 1      -7   15   17 o    3.516000      0.4180000       3.344000 0.5891000       3.689000      0.5933000     -0.3450000      0.8361000
  1 1 1      -7   15   18 o    4.084000      0.3885000       3.845000 0.5829000       4.322000      0.5138000     -0.4774000      0.7770000
  1 1 1      -7   15   19 o    3.437000      0.4725000       2.552000 0.7669000       4.322000      0.5521000      -1.770000      0.9450000
  1 1 1      -7   15   20 o    2.364000      0.5469000       1.976000 0.7615000       2.753000      0.7853000     -0.7778000       1.094000
  1 1 1      -7   15   21 o    6.577000      0.2813000       6.375000 0.4149000       6.780000      0.3801000     -0.4057000      0.5626000
  1 1 1      -7   15   22 o    8.552000      0.3490000       8.640000 0.4404000       8.464000      0.5414000      0.1759000      0.6980000
  1 1 1      -7   15   24 o    4.934000      0.4234000       5.520000 0.5249000       4.347000      0.6645000       1.172000      0.8468000
  1 1 1      -7   15   25 o    3.575000       1.058000                  ?       ?   3.575000       1.058000                  ?              ?
  1 1 1      -7   15   26 o    3.818000      0.8548000       3.535000 1.333000       4.100000       1.070000     -0.5646000       1.710000
  1 1 1      -7   15   27 o    2.688000      0.6415000       2.842000 0.8898000       2.533000      0.9244000      0.3084000       1.283000
  1 1 1      -7   15   28 o    2.318000      0.6288000       2.482000 0.9114000       2.154000      0.8665000      0.3276000       1.258000
  1 1 1      -7   15   29 o    4.576000      0.5356000       3.515000 0.9047000       5.637000      0.5735000      -2.122000       1.071000
  1 1 1      -7   15   30 o    4.300000      0.5463000       4.383000 0.7391000       4.217000      0.8048000      0.1658000       1.093000
  1 1 1      -7   15   31 f    2.075000      0.6081000       1.842000 0.8099000       2.308000      0.9074000     -0.4659000       1.216000
  1 1 1      -7   16    1 o    1.954000      0.4706000       1.837000 0.7097000       2.071000      0.6182000     -0.2338000      0.9411000
  1 1 1      -7   16    2 o    1.412000      0.4256000       1.256000 0.5732000       1.569000      0.6292000     -0.3132000      0.8512000
  1 1 1      -7   16    3 o    5.258000      0.2590000       5.106000 0.4064000       5.410000      0.3212000     -0.3037000      0.5180000
  1 1 1      -7   16    4 o    2.238000      0.4788000       2.354000 0.7136000       2.123000      0.6386000      0.2315000      0.9576000
  1 1 1      -7   16    5 o    4.150000      0.2939000       4.107000 0.4439000       4.194000      0.3853000     -0.8683000E-01  0.5878000
  1 1 1      -7   16    6 o    4.537000      0.2628000       4.468000 0.3966000       4.607000      0.3451000     -0.1393000      0.5257000
  1 1 1      -7   16    7 o    3.846000      0.3232000       3.658000 0.4956000       4.035000      0.4150000     -0.3772000      0.6464000
  1 1 1      -7   16    8 o    5.149000      0.2552000       4.995000 0.3821000       5.303000      0.3383000     -0.3087000      0.5103000
  1 1 1      -7   16    9 o    3.604000      0.3649000       4.208000 0.4503000       3.001000      0.5744000       1.207000      0.7299000
  1 1 1      -7   16   10 o    3.636000      0.3273000       3.635000 0.4858000       3.636000      0.4389000     -0.2968000E-03  0.6547000
  1 1 1      -7   16   11 f    11.39000      0.2173000       11.56000 0.3160000       11.22000      0.2983000      0.3357000      0.4346000
  1 1 1      -7   16   12 o    10.21000      0.2212000       10.18000 0.3177000       10.25000      0.3079000     -0.7206000E-01  0.4424000
  1 1 1      -7   16   13 o    1.629000      0.4579000       1.278000 0.5928000       1.980000      0.6980000     -0.7021000      0.9158000
  1 1 1      -7   16   14 o    3.783000      0.3934000       3.342000 0.6231000       4.223000      0.4805000     -0.8804000      0.7868000
  1 1 1      -7   16   15 o    6.684000      0.2607000       6.622000 0.3735000       6.746000      0.3637000     -0.1246000      0.5214000
  1 1 1      -7   16   16 o    4.244000      0.3683000       3.969000 0.5420000       4.519000      0.4989000     -0.5498000      0.7366000
  1 1 1      -7   16   17 o    2.327000      0.5243000       1.874000 0.7232000       2.781000      0.7592000     -0.9070000       1.049000
  1 1 1      -7   16   18 o    2.634000      0.5124000       1.985000 0.7501000       3.284000      0.6982000      -1.299000       1.025000
  1 1 1      -7   16   19 o    3.674000      0.4472000       3.579000 0.6446000       3.768000      0.6199000     -0.1893000      0.8944000
  1 1 1      -7   16   20 o    9.236000      0.3290000       9.158000 0.4297000       9.315000      0.4984000     -0.1568000      0.6581000
  1 1 1      -7   16   21 o    7.976000      0.2806000       7.697000 0.3881000       8.255000      0.4053000     -0.5582000      0.5611000
  1 1 1      -7   16   22 o    6.918000      0.3118000       6.790000 0.4298000       7.046000      0.4517000     -0.2555000      0.6235000
  1 1 1      -7   16   23 o    2.263000       1.049000       2.263000 1.049000                  ?              ?              ?              ?
  1 1 1      -7   16   24 o    2.754000      0.8002000       3.231000 1.258000       2.276000      0.9891000      0.9546000       1.600000
  1 1 1      -7   16   25 o    5.366000      0.6198000                  ?       ?   5.366000      0.6198000                  ?              ?
  1 1 1      -7   16   26 o    5.094000      0.4374000       5.170000 0.6045000       5.019000      0.6323000      0.1511000      0.8748000
  1 1 1      -7   16   27 o    3.685000      0.5834000       3.172000 0.8924000       4.198000      0.7519000      -1.026000       1.167000
  1 1 1      -7   16   28 o    2.989000      0.6527000       2.887000 0.9109000       3.090000      0.9352000     -0.2028000       1.305000
  1 1 1      -7   16   29 o    4.148000      0.5641000       4.060000 0.7901000       4.237000      0.8054000     -0.1776000       1.128000
  1 1 1      -7   16   30 o    3.586000      0.5956000       2.929000 0.9356000       4.242000      0.7373000      -1.313000       1.191000
  1 1 1      -7   17    1 o    7.657000      0.2428000       7.755000 0.3629000       7.560000      0.3226000      0.1943000      0.4856000
  1 1 1      -7   17    2 o    3.714000      0.3998000       3.058000 0.6921000       4.370000      0.4004000      -1.312000      0.7996000
  1 1 1      -7   17    3 o    1.407000      0.4345000       1.541000 0.6637000       1.272000      0.5609000      0.2689000      0.8690000
  1 1 1      -7   17    4 f    4.083000      0.3416000       4.203000 0.5139000       3.964000      0.4502000      0.2397000      0.6833000
  1 1 1      -7   17    5 o    7.401000      0.2291000       7.692000 0.3444000       7.109000      0.3022000      0.5824000      0.4582000
  1 1 1      -7   17    6 o    4.357000      0.3169000       3.887000 0.5176000       4.828000      0.3658000     -0.9409000      0.6338000
  1 1 1      -7   17    7 o    7.009000      0.2190000       6.476000 0.3328000       7.541000      0.2849000      -1.065000      0.4381000
  1 1 1      -7   17    8 o    2.007000      0.4423000       1.458000 0.6341000       2.555000      0.6167000      -1.098000      0.8846000
  1 1 1      -7   17    9 o    5.059000      0.2794000       5.073000 0.4105000       5.045000      0.3790000      0.2822000E-01  0.5588000
  1 1 1      -7   17   10 o    1.744000      0.4703000       1.482000 0.6443000       2.006000      0.6852000     -0.5242000      0.9406000
  1 1 1      -7   17   11 o    11.04000      0.2228000       11.05000 0.3213000       11.03000      0.3086000      0.2538000E-01  0.4455000
  1 1 1      -7   17   12 f    2.473000      0.4812000       2.366000 0.6628000       2.580000      0.6978000     -0.2138000      0.9625000
  1 1 1      -7   17   13 o    8.846000      0.2259000       9.221000 0.3256000       8.472000      0.3132000      0.7493000      0.4518000
  1 1 1      -7   17   14 o    4.620000      0.3343000       4.572000 0.4941000       4.668000      0.4505000     -0.9617000E-01  0.6686000
  1 1 1      -7   17   15 f    3.800000      0.4152000       3.183000 0.6631000       4.418000      0.4998000      -1.235000      0.8304000
  1 1 1      -7   17   16 o    4.663000      0.3558000       4.397000 0.5379000       4.930000      0.4659000     -0.5334000      0.7116000
  1 1 1      -7   17   17 o    2.138000      0.5336000       2.398000 0.7766000       1.878000      0.7322000      0.5209000       1.067000
  1 1 1      -7   17   18 o    3.658000      0.5610000       3.258000 0.7826000       4.059000      0.8039000     -0.8017000       1.122000
  1 1 1      -7   17   19 o    2.784000      0.5685000       3.417000 0.8000000       2.151000      0.8079000       1.266000       1.137000
  1 1 1      -7   17   20 o    8.776000      0.2695000       8.403000 0.3906000       9.149000      0.3716000     -0.7455000      0.5391000
  1 1 1      -7   17   21 o    3.693000      0.6910000       3.763000 1.227000       3.623000      0.6365000      0.1393000       1.382000
  1 1 1      -7   17   22 o    3.156000      0.8015000       3.016000 1.211000       3.297000       1.050000     -0.2814000       1.603000
  1 1 1      -7   17   23 f    2.193000      0.5688000       2.717000 0.8490000       1.668000      0.7571000       1.049000       1.138000
  1 1 1      -7   17   24 o    6.437000      0.3637000       6.565000 0.5120000       6.309000      0.5168000      0.2561000      0.7274000
  1 1 1      -7   17   25 o    3.040000      0.6048000       3.488000 0.8183000       2.591000      0.8908000      0.8973000       1.210000
  1 1 1      -7   17   26 o    1.947000      0.5880000       1.776000 0.7938000       2.118000      0.8676000     -0.3420000       1.176000
  1 1 1      -7   17   27 o    4.425000      0.5372000       5.020000 0.6267000       3.831000      0.8726000       1.189000       1.074000
  1 1 1      -7   17   28 o    2.660000      0.6397000       2.128000 0.8772000       3.192000      0.9312000      -1.064000       1.279000
  1 1 1      -7   17   29 o    2.086000      0.6130000       1.839000 0.8234000       2.333000      0.9082000     -0.4941000       1.226000
  1 1 1      -7   17   30 f    2.937000      0.7680000       3.459000 1.126000       2.414000       1.045000       1.044000       1.536000
  1 1 1      -7   18    1 o    4.957000      0.3228000       4.854000 0.4967000       5.060000      0.4124000     -0.2064000      0.6456000
  1 1 1      -7   18    2 o    2.132000      0.5099000       2.793000 0.7942000       1.471000      0.6396000       1.323000       1.020000
  1 1 1      -7   18    3 o    7.494000      0.2381000       7.634000 0.3676000       7.354000      0.3027000      0.2804000      0.4761000
  1 1 1      -7   18    4 o    3.645000      0.3883000       3.941000 0.5711000       3.349000      0.5263000      0.5917000      0.7766000
  1 1 1      -7   18    5 o    9.416000      0.2239000       9.396000 0.3273000       9.436000      0.3056000     -0.4076000E-01  0.4479000
  1 1 1      -7   18    6 o    15.94000      0.2585000       15.89000 0.3732000       15.98000      0.3578000     -0.9671000E-01  0.5170000
  1 1 1      -7   18    7 o    8.663000      0.2281000       8.221000 0.3427000       9.105000      0.3010000     -0.8837000      0.4561000
  1 1 1      -7   18    8 o    3.388000      0.4010000       3.184000 0.6213000       3.591000      0.5072000     -0.4074000      0.8021000
  1 1 1      -7   18    9 o    6.715000      0.2484000       6.813000 0.3678000       6.617000      0.3339000      0.1962000      0.4967000
  1 1 1      -7   18   10 o    7.215000      0.2442000       7.045000 0.3679000       7.384000      0.3212000     -0.3399000      0.4884000
  1 1 1      -7   18   11 o    6.369000      0.2753000       6.322000 0.4035000       6.416000      0.3747000     -0.9428000E-01  0.5507000
  1 1 1      -7   18   12 o    4.666000      0.3209000       4.279000 0.4933000       5.052000      0.4105000     -0.7729000      0.6418000
  1 1 1      -7   18   13 o    6.855000      0.2531000       6.847000 0.3599000       6.863000      0.3561000     -0.1623000E-01  0.5063000
  1 1 1      -7   18   14 o    6.237000      0.2764000       6.077000 0.4051000       6.397000      0.3761000     -0.3200000      0.5528000
  1 1 1      -7   18   15 o    4.688000      0.3883000       4.651000 0.4548000       4.726000      0.6294000     -0.7506000E-01  0.7765000
  1 1 1      -7   18   16 o    2.031000      0.5764000       1.867000 0.7732000       2.194000      0.8550000     -0.3265000       1.153000
  1 1 1      -7   18   17 o    2.173000      0.5283000       1.712000 0.7139000       2.634000      0.7789000     -0.9223000       1.057000
  1 1 1      -7   18   18 o    5.493000      0.3406000       5.347000 0.4957000       5.639000      0.4673000     -0.2913000      0.6812000
  1 1 1      -7   18   19 o    3.518000      0.6927000       3.555000 1.244000       3.480000      0.6103000      0.7531000E-01   1.385000
  1 1 1      -7   18   20 o    5.539000      0.6633000       5.587000 1.064000       5.491000      0.7930000      0.9657000E-01   1.327000
  1 1 1      -7   18   21 o    2.644000      0.5786000       3.058000 0.7925000       2.231000      0.8432000      0.8268000       1.157000
  1 1 1      -7   18   22 o    5.763000      0.3754000       6.204000 0.4966000       5.322000      0.5631000      0.8826000      0.7508000
  1 1 1      -7   18   23 o    2.328000      0.6178000       2.659000 0.9041000       1.998000      0.8423000      0.6609000       1.236000
  1 1 1      -7   18   24 f    4.287000      0.5296000       4.549000 0.7352000       4.025000      0.7627000      0.5240000       1.059000
  1 1 1      -7   18   25 o    2.300000      0.6176000       1.849000 0.8165000       2.750000      0.9268000     -0.9005000       1.235000
  1 1 1      -7   18   26 o    5.017000      0.4797000       5.258000 0.6352000       4.775000      0.7190000      0.4830000      0.9594000
  1 1 1      -7   18   27 o    2.585000      0.6654000       2.277000 0.9110000       2.893000      0.9702000     -0.6166000       1.331000
  1 1 1      -7   18   28 o    3.019000      0.6613000       3.009000 0.9314000       3.028000      0.9391000     -0.1960000E-01   1.323000
  1 1 1      -7   18   29 o    2.656000      0.6578000       2.300000 0.9193000       3.012000      0.9412000     -0.7122000       1.316000
  1 1 1      -7   19    1 o    5.968000      0.3125000       6.080000 0.4601000       5.856000      0.4229000      0.2231000      0.6249000
  1 1 1      -7   19    2 o    1.747000      0.5242000       1.716000 0.7551000       1.778000      0.7274000     -0.6140000E-01   1.048000
  1 1 1      -7   19    3 o    2.608000      0.5480000       2.372000 0.8191000       2.844000      0.7282000     -0.4719000       1.096000
  1 1 1      -7   19    4 o    1.944000      0.5251000       2.237000 0.8022000       1.651000      0.6778000      0.5851000       1.050000
  1 1 1      -7   19    5 o    9.825000      0.2397000       9.642000 0.3606000       10.01000      0.3161000     -0.3672000      0.4795000
  1 1 1      -7   19    6 o    6.654000      0.2780000       6.630000 0.4202000       6.677000      0.3640000     -0.4779000E-01  0.5559000
  1 1 1      -7   19    7 o    4.725000      0.3479000       4.935000 0.5322000       4.516000      0.4481000      0.4195000      0.6957000
  1 1 1      -7   19    8 o    8.981000      0.2360000       8.905000 0.3540000       9.057000      0.3121000     -0.1521000      0.4719000
  1 1 1      -7   19    9 o    11.74000      0.2312000       11.60000 0.3341000       11.88000      0.3197000     -0.2845000      0.4624000
  1 1 1      -7   19   10 o    2.784000      0.5003000       2.486000 0.7668000       3.081000      0.6430000     -0.5947000       1.001000
  1 1 1      -7   19   11 o    3.533000      0.4525000       3.143000 0.7232000       3.924000      0.5442000     -0.7805000      0.9051000
  1 1 1      -7   19   12 o    4.240000      0.4020000       3.605000 0.6677000       4.874000      0.4480000      -1.269000      0.8041000
  1 1 1      -7   19   13 o    7.470000      0.3350000       7.504000 0.4635000       7.435000      0.4838000      0.6889000E-01  0.6700000
  1 1 1      -7   19   14 o    8.164000      0.3283000       8.050000 0.4557000       8.278000      0.4727000     -0.2281000      0.6566000
  1 1 1      -7   19   15 o    4.266000      0.4007000       4.266000 0.5839000       4.265000      0.5488000      0.1763000E-02  0.8013000
  1 1 1      -7   19   16 o    8.684000      0.2599000       8.868000 0.3695000       8.501000      0.3657000      0.3677000      0.5198000
  1 1 1      -7   19   17 o    2.405000      0.7091000       2.280000 1.021000       2.530000      0.9840000     -0.2496000       1.418000
  1 1 1      -7   19   18 o    5.574000      0.6401000       5.174000 1.064000       5.974000      0.7122000     -0.7995000       1.280000
  1 1 1      -7   19   19 o    2.396000      0.5638000       1.765000 0.7619000       3.028000      0.8313000      -1.264000       1.128000
  1 1 1      -7   19   20 o    3.396000      0.5778000       2.942000 0.8887000       3.850000      0.7388000     -0.9084000       1.156000
  1 1 1      -7   19   21 o    4.735000      0.4466000       4.384000 0.6855000       5.087000      0.5727000     -0.7027000      0.8933000
  1 1 1      -7   19   22 o    3.431000      0.5903000       3.287000 0.8500000       3.576000      0.8194000     -0.2885000       1.181000
  1 1 1      -7   19   23 o    4.146000      0.5393000       4.455000 0.7083000       3.837000      0.8133000      0.6180000       1.079000
  1 1 1      -7   19   24 o    1.724000      0.5387000       1.612000 0.7526000       1.836000      0.7709000     -0.2234000       1.077000
  1 1 1      -7   19   25 o    4.553000      0.5345000       4.254000 0.8084000       4.853000      0.6996000     -0.5998000       1.069000
  1 1 1      -7   19   26 o    2.966000      0.5993000       1.923000 0.8573000       4.009000      0.8376000      -2.086000       1.199000
  1 1 1      -7   19   27 o    2.262000      0.6398000       2.204000 0.9086000       2.320000      0.9011000     -0.1165000       1.280000
  1 1 1      -7   19   28 o    2.665000      0.6095000       1.875000 0.8208000       3.455000      0.9013000      -1.580000       1.219000
  1 1 1      -7   20    1 o    8.191000      0.3015000       8.104000 0.4527000       8.277000      0.3984000     -0.1738000      0.6031000
  1 1 1      -7   20    2 o    3.454000      0.5634000       3.224000 0.8864000       3.684000      0.6957000     -0.4600000       1.127000
  1 1 1      -7   20    3 o    2.977000      0.5476000       2.640000 0.8913000       3.313000      0.6365000     -0.6730000       1.095000
  1 1 1      -7   20    4 o    6.621000      0.3085000       6.401000 0.4888000       6.842000      0.3765000     -0.4409000      0.6170000
  1 1 1      -7   20    5 o    3.672000      0.4795000       3.192000 0.8173000       4.152000      0.5017000     -0.9601000      0.9590000
  1 1 1      -7   20    6 o    3.796000      0.4789000       3.628000 0.7809000       3.963000      0.5545000     -0.3351000      0.9578000
  1 1 1      -7   20    7 o    2.785000      0.5326000       3.383000 0.7653000       2.186000      0.7408000       1.197000       1.065000
  1 1 1      -7   20    8 o    3.328000      0.4840000       3.926000 0.6778000       2.730000      0.6909000       1.196000      0.9679000
  1 1 1      -7   20    9 o    3.313000      0.4814000       3.252000 0.7228000       3.374000      0.6361000     -0.1214000      0.9629000
  1 1 1      -7   20   10 o    6.813000      0.3602000       6.517000 0.5327000       7.110000      0.4851000     -0.5936000      0.7205000
  1 1 1      -7   20   11 o    2.189000      0.6130000       2.160000 0.8589000       2.218000      0.8749000     -0.5711000E-01   1.226000
  1 1 1      -7   20   12 o    3.328000      0.4944000       3.751000 0.6399000       2.904000      0.7538000      0.8470000      0.9888000
  1 1 1      -7   20   13 o    1.780000      0.5233000       1.559000 0.6990000       2.001000      0.7790000     -0.4426000       1.047000
  1 1 1      -7   20   14 o    3.334000      0.5196000       3.210000 0.7511000       3.458000      0.7183000     -0.2482000       1.039000
  1 1 1      -7   20   15 o    5.380000      0.5944000       5.327000 0.9557000       5.432000      0.7070000     -0.1058000       1.189000
  1 1 1      -7   20   16 o    6.178000      0.5637000       5.832000 0.9270000       6.524000      0.6415000     -0.6929000       1.127000
  1 1 1      -7   20   17 o    3.005000      0.5714000       3.216000 0.7800000       2.793000      0.8353000      0.4236000       1.143000
  1 1 1      -7   20   18 f    6.290000      0.3379000       7.215000 0.4201000       5.365000      0.5294000       1.849000      0.6759000
  1 1 1      -7   20   19 o    5.467000      0.3898000       5.821000 0.5278000       5.114000      0.5739000      0.7070000      0.7796000
  1 1 1      -7   20   20 o    2.674000      0.6209000       2.964000 0.8757000       2.383000      0.8804000      0.5818000       1.242000
  1 1 1      -7   20   21 o    5.244000      0.4243000       5.157000 0.6010000       5.331000      0.5992000     -0.1738000      0.8487000
  1 1 1      -7   20   22 o    4.719000      0.4811000       4.405000 0.7355000       5.034000      0.6202000     -0.6290000      0.9621000
  1 1 1      -7   20   23 o    2.816000      0.6490000       2.879000 0.9163000       2.753000      0.9192000      0.1256000       1.298000
  1 1 1      -7   20   24 o    2.943000      0.9255000       2.943000 0.9255000                  ?              ?              ?              ?
  1 1 1      -7   20   25 o    3.355000      0.6237000       4.111000 0.8094000       2.599000      0.9490000       1.512000       1.247000
  1 1 1      -7   20   26 o    3.137000      0.9646000                  ?       ?   3.137000      0.9646000                  ?              ?
  1 1 1      -7   20   27 o    2.308000      0.6361000       1.888000 0.8369000       2.728000      0.9580000     -0.8392000       1.272000
  1 1 1      -7   21    1 o    6.337000      0.3858000       6.168000 0.5764000       6.506000      0.5130000     -0.3379000      0.7716000
  1 1 1      -7   21    2 o    8.856000      0.3011000       8.631000 0.4555000       9.081000      0.3938000     -0.4500000      0.6022000
  1 1 1      -7   21    3 o    6.741000      0.3354000       6.741000 0.5209000       6.740000      0.4227000      0.1176000E-02  0.6709000
  1 1 1      -7   21    4 o    9.651000      0.2953000       9.302000 0.4541000       10.00000      0.3776000     -0.6997000      0.5906000
  1 1 1      -7   21    5 o    5.854000      0.3613000       6.077000 0.5536000       5.631000      0.4644000      0.4462000      0.7226000
  1 1 1      -7   21    6 o    5.010000      0.4252000       4.373000 0.7214000       5.647000      0.4503000      -1.274000      0.8504000
  1 1 1      -7   21    7 o    2.227000      0.6715000       2.040000 0.9235000       2.414000      0.9751000     -0.3738000       1.343000
  1 1 1      -7   21    8 o    4.777000      0.6552000       3.480000 1.134000       6.075000      0.6560000      -2.595000       1.310000
  1 1 1      -7   21    9 o    2.835000      0.5561000       2.482000 0.8646000       3.188000      0.6997000     -0.7060000       1.112000
  1 1 1      -7   21   10 o    2.588000      0.5804000       2.512000 0.8687000       2.664000      0.7698000     -0.1520000       1.161000
  1 1 1      -7   21   11 o    2.013000      0.5556000       2.215000 0.8296000       1.812000      0.7393000      0.4036000       1.111000
  1 1 1      -7   21   12 o    3.354000      0.7201000       3.636000 1.125000       3.071000      0.8997000      0.5646000       1.440000
  1 1 1      -7   21   13 o    7.922000      0.4353000       7.710000 0.7083000       8.134000      0.5063000     -0.4245000      0.8707000
  1 1 1      -7   21   14 o    8.754000      0.2688000       8.272000 0.4060000       9.236000      0.3523000     -0.9635000      0.5376000
  1 1 1      -7   21   15 o    7.396000      0.3025000       7.167000 0.4613000       7.624000      0.3914000     -0.4565000      0.6050000
  1 1 1      -7   21   16 o    5.561000      0.3673000       5.651000 0.5279000       5.471000      0.5109000      0.1800000      0.7346000
  1 1 1      -7   21   17 o    2.420000      0.6129000       2.661000 0.8904000       2.179000      0.8423000      0.4820000       1.226000
  1 1 1      -7   21   18 o    6.578000      0.3289000       6.297000 0.4997000       6.859000      0.4278000     -0.5622000      0.6578000
  1 1 1      -7   21   19 o    4.191000      0.5071000       4.357000 0.6846000       4.026000      0.7482000      0.3313000       1.014000
  1 1 1      -7   21   20 o    1.773000      0.5421000       1.392000 0.6671000       2.155000      0.8547000     -0.7631000       1.084000
  1 1 1      -7   21   21 o    4.496000      0.5147000       4.932000 0.6649000       4.061000      0.7858000      0.8707000       1.029000
  1 1 1      -7   21   22 o    2.193000      0.6365000       2.220000 0.9116000       2.167000      0.8886000      0.5285000E-01   1.273000
  1 1 1      -7   21   23 o    1.874000      0.5909000       1.912000 0.8507000       1.836000      0.8204000      0.7546000E-01   1.182000
  1 1 1      -7   21   24 o    1.864000      0.8401000       1.864000 0.8401000                  ?              ?              ?              ?
  1 1 1      -7   21   25 o    2.941000      0.6821000       3.255000 0.9780000       2.627000      0.9510000      0.6286000       1.364000
  1 1 1      -7   22    1 o    4.728000      0.4904000       4.383000 0.7621000       5.073000      0.6173000     -0.6905000      0.9808000
  1 1 1      -7   22    2 o    2.249000      0.6294000       2.559000 0.9587000       1.939000      0.8160000      0.6197000       1.259000
  1 1 1      -7   22    3 o    2.740000      0.9115000       2.831000 1.344000       2.648000       1.232000      0.1836000       1.823000
  1 1 1      -7   22    4 o    7.272000      0.9375000       7.254000 1.506000       7.290000       1.117000     -0.3607000E-01   1.875000
  1 1 1      -7   22    5 o    4.764000       1.014000       5.411000 1.468000       4.117000       1.399000       1.294000       2.028000
  1 1 1      -7   22    6 o    4.106000      0.5404000       3.632000 0.8894000       4.580000      0.6140000     -0.9476000       1.081000
  1 1 1      -7   22    7 o    4.131000      0.4861000       4.047000 0.7489000       4.215000      0.6198000     -0.1685000      0.9721000
  1 1 1      -7   22    8 o    4.422000      0.4482000       4.507000 0.7054000       4.338000      0.5532000      0.1697000      0.8965000
  1 1 1      -7   22    9 o    4.953000      0.5837000       3.683000 1.042000       6.223000      0.5267000      -2.540000       1.167000
  1 1 1      -7   22   10 o    2.994000      0.6847000       3.048000 1.044000       2.940000      0.8860000      0.1083000       1.369000
  1 1 1      -7   22   11 o    4.656000      0.4316000       4.434000 0.7055000       4.879000      0.4976000     -0.4448000      0.8633000
  1 1 1      -7   22   12 o    4.408000      0.4436000       4.305000 0.7123000       4.510000      0.5289000     -0.2046000      0.8872000
  1 1 1      -7   22   13 o    5.461000      0.3857000       5.126000 0.6177000       5.796000      0.4620000     -0.6698000      0.7713000
  1 1 1      -7   22   14 o    3.282000      0.5802000       3.535000 0.8265000       3.030000      0.8144000      0.5045000       1.160000
  1 1 1      -7   22   15 o    3.913000      0.5094000       4.220000 0.6973000       3.606000      0.7429000      0.6140000       1.019000
  1 1 1      -7   22   16 o    1.656000      0.5304000       1.614000 0.7479000       1.698000      0.7523000     -0.8318000E-01   1.061000
  1 1 1      -7   22   17 o    5.639000      0.3930000       5.753000 0.5634000       5.526000      0.5480000      0.2276000      0.7860000
  1 1 1      -7   22   18 o    2.742000      0.6521000       2.784000 0.9390000       2.700000      0.9050000      0.8400000E-01   1.304000
  1 1 1      -7   22   19 o    2.202000      0.6175000       2.480000 0.9170000       1.925000      0.8274000      0.5544000       1.235000
  1 1 1      -7   22   20 o    5.061000      0.4546000       4.728000 0.6923000       5.395000      0.5895000     -0.6674000      0.9093000
  1 1 1      -7   22   21 o    2.449000      0.6363000       2.054000 0.8786000       2.844000      0.9207000     -0.7906000       1.273000
  1 1 1      -7   22   22 o    2.692000      0.6621000       2.713000 0.9571000       2.672000      0.9151000      0.4162000E-01   1.324000
  1 1 1      -7   22   23 o    2.129000      0.6300000       2.077000 0.8786000       2.180000      0.9033000     -0.1029000       1.260000
  1 1 1      -7   22   24 f    2.647000      0.6761000       3.019000 0.9708000       2.276000      0.9413000      0.7431000       1.352000
  1 1 1      -7   23    1 o    3.357000       1.039000       3.283000 1.366000       3.432000       1.565000     -0.1486000       2.077000
  1 1 1      -7   23    2 o    6.404000      0.4250000       6.052000 0.6572000       6.756000      0.5392000     -0.7036000      0.8501000
  1 1 1      -7   23    3 o    5.996000      0.4240000       5.607000 0.6715000       6.386000      0.5178000     -0.7792000      0.8479000
  1 1 1      -7   23    4 o    9.968000      0.3272000       9.983000 0.5021000       9.953000      0.4198000      0.3046000E-01  0.6544000
  1 1 1      -7   23    5 o    5.110000      0.4636000       5.078000 0.7355000       5.142000      0.5645000     -0.6442000E-01  0.9271000
  1 1 1      -7   23    6 o    8.830000      0.3448000       8.714000 0.5263000       8.945000      0.4455000     -0.2315000      0.6895000
  1 1 1      -7   23    7 o    8.100000      0.3933000       7.403000 0.6391000       8.798000      0.4586000      -1.395000      0.7866000
  1 1 1      -7   23    8 o    3.820000      0.5336000       3.192000 0.9177000       4.448000      0.5447000      -1.257000       1.067000
  1 1 1      -7   23    9 o    4.317000      0.4811000       4.433000 0.7514000       4.202000      0.6011000      0.2311000      0.9623000
  1 1 1      -7   23   10 o    2.859000      0.6252000       2.769000 0.9519000       2.949000      0.8108000     -0.1799000       1.250000
  1 1 1      -7   23   11 o    3.173000      0.5974000       2.814000 0.9319000       3.532000      0.7478000     -0.7180000       1.195000
  1 1 1      -7   23   12 o    2.428000      0.5846000       1.779000 0.8175000       3.077000      0.8359000      -1.298000       1.169000
  1 1 1      -7   23   13 o    5.076000      0.4508000       4.938000 0.6987000       5.214000      0.5699000     -0.2756000      0.9017000
  1 1 1      -7   23   14 o    2.094000      0.5946000       1.926000 0.8387000       2.262000      0.8432000     -0.3367000       1.189000
  1 1 1      -7   23   15 o    2.369000      0.6240000       2.298000 0.8962000       2.441000      0.8685000     -0.1435000       1.248000
  1 1 1      -7   23   16 o    5.143000      0.4467000       5.087000 0.6690000       5.199000      0.5921000     -0.1120000      0.8934000
  1 1 1      -7   23   17 o    5.894000      0.4113000       5.518000 0.6514000       6.271000      0.5024000     -0.7532000      0.8227000
  1 1 1      -7   23   18 o    5.058000      0.4743000       4.944000 0.7378000       5.173000      0.5962000     -0.2295000      0.9486000
  1 1 1      -7   23   19 o    3.780000      0.6355000       3.676000 0.9785000       3.885000      0.8110000     -0.2084000       1.271000
  1 1 1      -7   23   20 o    2.507000      0.6680000       2.486000 0.9731000       2.528000      0.9153000     -0.4172000E-01   1.336000
  1 1 1      -7   23   21 o    3.570000      0.6327000       4.472000 0.8488000       2.667000      0.9386000       1.805000       1.265000
  1 1 1      -7   23   22 o    1.663000      0.5528000       1.711000 0.7987000       1.615000      0.7644000      0.9611000E-01   1.106000
  1 1 1      -7   23   23 o    2.774000      0.6922000       3.141000 1.003000       2.408000      0.9545000      0.7338000       1.384000
  1 1 1      -7   24    1 o    2.462000      0.6660000       2.386000 0.9580000       2.537000      0.9255000     -0.1505000       1.332000
  1 1 1      -7   24    2 o    2.299000      0.6606000       2.415000 0.9714000       2.183000      0.8954000      0.2321000       1.321000
  1 1 1      -7   24    3 o    3.703000      0.6478000       3.282000 1.048000       4.124000      0.7617000     -0.8422000       1.296000
  1 1 1      -7   24    4 o    7.442000      0.3888000       6.800000 0.6456000       8.085000      0.4335000      -1.284000      0.7776000
  1 1 1      -7   24    5 o    7.543000      0.3446000       7.499000 0.5267000       7.587000      0.4443000     -0.8828000E-01  0.6891000
  1 1 1      -7   24    6 o    3.667000      0.6018000       4.134000 0.8956000       3.200000      0.8042000      0.9341000       1.204000
  1 1 1      -7   24    7 o    3.277000      0.6389000       3.420000 0.9837000       3.134000      0.8154000      0.2856000       1.278000
  1 1 1      -7   24    8 f    1.995000      0.6007000       2.255000 0.9276000       1.734000      0.7637000      0.5213000       1.201000
  1 1 1      -7   24    9 o    5.617000      0.4282000       5.683000 0.6758000       5.552000      0.5262000      0.1307000      0.8565000
  1 1 1      -7   24   10 o    5.503000      0.4771000       4.741000 0.8084000       6.265000      0.5069000      -1.524000      0.9541000
  1 1 1      -7   24   11 o    2.946000      0.6059000       3.980000 0.8965000       1.912000      0.8153000       2.068000       1.212000
  1 1 1      -7   24   12 o    2.260000      0.6436000       2.306000 0.9411000       2.215000      0.8783000      0.9093000E-01   1.287000
  1 1 1      -7   24   13 o    2.356000      0.6628000       2.615000 1.001000       2.097000      0.8688000      0.5180000       1.326000
  1 1 1      -7   24   14 o    6.448000      0.4076000       6.190000 0.6448000       6.706000      0.4988000     -0.5151000      0.8152000
  1 1 1      -7   24   15 o    5.196000      0.4822000       4.518000 0.8128000       5.874000      0.5189000      -1.356000      0.9643000
  1 1 1      -7   24   16 o    5.453000      0.4621000       5.180000 0.7237000       5.726000      0.5747000     -0.5453000      0.9241000
  1 1 1      -7   24   17 o    3.009000      0.6796000       2.971000 1.020000       3.047000      0.8981000     -0.7550000E-01   1.359000
  1 1 1      -7   24   18 o    2.789000      0.6659000       2.422000 0.9612000       3.157000      0.9220000     -0.7355000       1.332000
  1 1 1      -7   24   19 o    2.765000      0.7089000       2.675000 1.024000       2.854000      0.9809000     -0.1789000       1.418000
  1 1 1      -7   24   20 o    3.193000      0.7071000       2.839000 1.046000       3.546000      0.9521000     -0.7076000       1.414000
  1 1 1      -7   24   21 o    3.013000      0.7099000       2.693000 1.010000       3.332000      0.9981000     -0.6390000       1.420000
  1 1 1      -7   25    1 o    4.066000      0.6139000       4.356000 0.8522000       3.777000      0.8838000      0.5789000       1.228000
  1 1 1      -7   25    2 o    2.810000      0.7087000       2.819000 1.028000       2.801000      0.9756000      0.1825000E-01   1.417000
  1 1 1      -7   25    3 o    4.432000      0.6158000       4.324000 0.9430000       4.540000      0.7922000     -0.2154000       1.232000
  1 1 1      -7   25    4 o    4.707000      0.5521000       4.659000 0.8565000       4.755000      0.6967000     -0.9528000E-01   1.104000
  1 1 1      -7   25    5 o    7.584000      0.3797000       7.522000 0.5903000       7.645000      0.4775000     -0.1228000      0.7593000
  1 1 1      -7   25    6 o    4.364000      0.6020000       4.360000 0.9540000       4.369000      0.7344000     -0.8267000E-02   1.204000
  1 1 1      -7   25    7 o    2.441000      0.6653000       2.271000 0.9706000       2.611000      0.9100000     -0.3396000       1.331000
  1 1 1      -7   25    8 o    4.887000      0.5546000       4.806000 0.8732000       4.969000      0.6839000     -0.1634000       1.109000
  1 1 1      -7   25    9 f    4.314000      0.5933000       3.446000 1.007000       5.182000      0.6280000      -1.737000       1.187000
  1 1 1      -7   25   10 o    4.289000      0.5828000       3.774000 0.9646000       4.804000      0.6544000      -1.029000       1.166000
  1 1 1      -7   25   11 o    3.351000      0.6776000       3.046000 1.040000       3.656000      0.8696000     -0.6104000       1.355000
  1 1 1      -7   25   12 o    5.303000      0.5111000       4.776000 0.8317000       5.829000      0.5943000      -1.053000       1.022000
  1 1 1      -7   25   13 o    7.243000      0.4148000       6.554000 0.6592000       7.932000      0.5036000      -1.377000      0.8296000
  1 1 1      -7   25   14 o    8.086000      0.3802000       8.231000 0.5731000       7.942000      0.4997000      0.2886000      0.7604000
  1 1 1      -7   25   15 o    7.764000      0.3790000       7.760000 0.5823000       7.768000      0.4854000     -0.7606000E-02  0.7581000
  1 1 1      -7   25   16 o    4.098000      0.6641000       2.623000 1.164000       5.572000      0.6393000      -2.949000       1.328000
  1 1 1      -7   25   17 o    3.184000      0.7039000       3.175000 1.038000       3.193000      0.9509000     -0.1870000E-01   1.408000
  1 1 1      -7   25   18 o    2.713000      0.7197000       2.770000 1.036000       2.656000      0.9989000      0.1146000       1.439000
  1 1 1      -7   25   19 o    3.905000      0.6897000       4.030000 0.9749000       3.780000      0.9758000      0.2494000       1.379000
  1 1 1      -7   25   20 o    2.085000      0.9926000       2.085000 0.9926000                  ?              ?              ?              ?
  1 1 1      -7   26    1 o    4.923000      0.6435000       3.925000 1.068000       5.920000      0.7184000      -1.995000       1.287000
  1 1 1      -7   26    2 o    2.135000      0.6671000       2.189000 0.9681000       2.080000      0.9181000      0.1086000       1.334000
  1 1 1      -7   26    3 o    3.587000      0.7310000       3.487000 1.121000       3.687000      0.9383000     -0.1999000       1.462000
  1 1 1      -7   26    4 o    6.503000      0.4716000       6.674000 0.7218000       6.332000      0.6073000      0.3422000      0.9433000
  1 1 1      -7   26    5 o    4.434000      0.6142000       3.945000 1.043000       4.924000      0.6486000     -0.9787000       1.228000
  1 1 1      -7   26    6 o    4.664000      0.5740000       4.633000 0.9107000       4.695000      0.6991000     -0.6229000E-01   1.148000
  1 1 1      -7   26    7 o    2.329000      0.6703000       2.024000 0.9094000       2.635000      0.9848000     -0.6106000       1.341000
  1 1 1      -7   26    8 o    2.834000      0.7273000       3.016000 1.072000       2.651000      0.9833000      0.3652000       1.455000
  1 1 1      -7   26    9 o    2.320000      0.6847000       2.358000 0.9879000       2.282000      0.9484000      0.7539000E-01   1.369000
  1 1 1      -7   26   10 o    2.086000      0.6251000       1.789000 0.8367000       2.382000      0.9289000     -0.5926000       1.250000
  1 1 1      -7   26   11 o    2.687000      0.7137000       2.914000 1.065000       2.460000      0.9503000      0.4540000       1.427000
  1 1 1      -7   26   12 o    2.265000      0.6677000       2.507000 1.003000       2.024000      0.8816000      0.4831000       1.335000
  1 1 1      -7   26   13 o    3.424000      0.6824000       2.553000 1.037000       4.295000      0.8878000      -1.742000       1.365000
  1 1 1      -7   26   14 o    3.279000      0.7369000       3.536000 1.062000       3.022000       1.022000      0.5139000       1.474000
  1 1 1      -7   26   15 o    3.755000      0.7132000       4.262000 1.042000       3.248000      0.9743000       1.015000       1.426000
  1 1 1      -7   26   16 o    3.140000      0.7197000       2.649000 1.062000       3.631000      0.9716000     -0.9814000       1.439000
  1 1 1      -7   26   17 o    3.764000      0.6533000       2.940000 1.028000       4.588000      0.8071000      -1.648000       1.307000
  1 1 1      -7   26   18 o    3.619000      0.9093000       3.292000 1.308000       3.945000       1.263000     -0.6524000       1.819000
  1 1 1      -7   27    1 o    8.585000      0.4392000       9.127000 0.6670000       8.043000      0.5718000       1.084000      0.8785000
  1 1 1      -7   27    2 o    2.681000      0.7403000       2.640000 1.062000       2.722000       1.032000     -0.8185000E-01   1.481000
  1 1 1      -7   27    3 o    5.015000      0.6166000       5.997000 0.7682000       4.033000      0.9647000       1.964000       1.233000
  1 1 1      -7   27    4 o    3.961000      0.7107000       3.189000 1.129000       4.734000      0.8637000      -1.544000       1.421000
  1 1 1      -7   27    5 o    2.754000      0.7496000       3.036000 1.109000       2.472000       1.008000      0.5633000       1.499000
  1 1 1      -7   27    6 o    2.361000      0.6810000       2.999000 1.097000       1.723000      0.8074000       1.277000       1.362000
  1 1 1      -7   27    7 o    4.967000      0.5805000       5.062000 0.8525000       4.872000      0.7883000      0.1903000       1.161000
  1 1 1      -7   27    8 o    5.302000      0.5389000       5.611000 0.7895000       4.993000      0.7339000      0.6176000       1.078000
  1 1 1      -7   27    9 o    3.118000      0.7531000       2.843000 1.077000       3.394000       1.053000     -0.5501000       1.506000
  1 1 1      -7   27   10 o    1.792000      0.5976000       1.802000 0.8517000       1.782000      0.8385000      0.2008000E-01   1.195000
  1 1 1      -7   27   11 o    2.027000      0.6448000       2.065000 0.9394000       1.990000      0.8836000      0.7495000E-01   1.290000
  1 1 1      -7   27   12 o    2.910000      0.7390000       2.811000 1.077000       3.008000       1.012000     -0.1972000       1.478000
  1 1 1      -7   27   13 o    2.033000      0.6369000       2.073000 0.9220000       1.993000      0.8789000      0.8044000E-01   1.274000
  1 1 1      -7   27   14 o    2.158000      0.6683000       2.234000 0.9669000       2.082000      0.9227000      0.1528000       1.337000
  1 1 1      -7   27   15 o    2.448000      0.7106000       2.296000 0.9977000       2.600000       1.012000     -0.3046000       1.421000
  1 1 1      -7   28    1 o    4.344000      0.7300000       4.900000 0.9723000       3.789000       1.089000       1.111000       1.460000
  1 1 1      -7   28    2 o    3.340000      0.7780000       3.138000 1.105000       3.543000       1.096000     -0.4049000       1.556000
  1 1 1      -7   28    3 o    4.999000      0.7128000       5.450000 0.9325000       4.547000       1.078000      0.9031000       1.426000
  1 1 1      -7   28    4 o    2.186000      0.6907000       2.514000 1.070000       1.858000      0.8742000      0.6558000       1.381000
  1 1 1      -7   28    5 o    2.225000      0.6881000       2.426000 1.029000       2.024000      0.9139000      0.4019000       1.376000
  1 1 1      -7   28    6 o    4.451000      0.6791000       3.469000 1.117000       5.434000      0.7733000      -1.964000       1.358000
  1 1 1      -7   28    7 o    5.309000      0.6049000       5.736000 0.7879000       4.882000      0.9182000      0.8537000       1.210000
  1 1 1      -7   28    8 o    2.449000      0.7190000       2.336000 1.017000       2.563000       1.016000     -0.2274000       1.438000
  1 1 1      -7   28    9 o    3.450000      0.7464000       3.609000 1.079000       3.291000       1.031000      0.3185000       1.493000
  1 1 1      -7   28   10 o    2.313000      0.6925000       2.651000 1.068000       1.975000      0.8813000      0.6766000       1.385000
  1 1 1      -7   28   11 o    3.068000      0.7654000       3.405000 1.117000       2.732000       1.046000      0.6733000       1.531000
  1 1 1      -7   28   12 o    2.836000      0.7604000       3.142000 1.137000       2.531000       1.010000      0.6106000       1.521000
  1 1 1      -7   29    1 o    2.336000      0.7431000       2.324000 1.074000       2.349000       1.028000     -0.2500000E-01   1.486000
  1 1 1      -7   29    2 o    2.888000      0.7302000       1.834000 0.8865000       3.941000       1.161000      -2.107000       1.460000
  1 1 1      -7   29    3 o    3.277000      0.8222000       3.226000 1.171000       3.328000       1.155000     -0.1025000       1.644000
  1 1 1      -7   29    4 o    2.864000      0.7651000       3.342000 1.145000       2.386000       1.015000      0.9567000       1.530000
  1 1 1      -7   29    5 o    2.452000      0.7323000       2.542000 1.072000       2.362000      0.9976000      0.1798000       1.465000
  1 1 1      -7   29    6 o    2.630000      0.7478000       2.031000 0.9531000       3.229000       1.152000      -1.197000       1.496000
  1 1 1      -7   29    7 o    2.289000      0.7121000       2.456000 1.054000       2.122000      0.9581000      0.3337000       1.424000
  1 1 1      -7   29    8 o    3.075000      0.7729000       3.278000 1.127000       2.872000       1.057000      0.4059000       1.546000
  1 1 1      -7   29    9 o    3.932000       1.277000       3.932000 1.277000                  ?              ?              ?              ?
  1 1 1      -6  -35    1 o    3.352000      0.7937000       3.886000 1.172000       2.818000       1.070000       1.068000       1.587000
  1 1 1      -6  -35    2 o    3.680000      0.8026000       3.790000 1.205000       3.571000       1.061000      0.2189000       1.605000
  1 1 1      -6  -35    3 o    2.423000      0.7465000       2.966000 1.207000       1.879000      0.8792000       1.087000       1.493000
  1 1 1      -6  -35    4 o    2.843000      0.7741000       2.495000 1.093000       3.191000       1.096000     -0.6965000       1.548000
  1 1 1      -6  -35    5 o    4.086000      0.7940000       3.870000 1.212000       4.302000       1.026000     -0.4320000       1.588000
  1 1 1      -6  -35    6 o    4.014000      0.7732000       4.442000 1.109000       3.586000       1.078000      0.8561000       1.546000
  1 1 1      -6  -35    7 o    3.501000      0.7851000       2.998000 1.165000       4.005000       1.053000      -1.007000       1.570000
  1 1 1      -6  -34    1 o    3.469000      0.7877000       3.700000 1.152000       3.237000       1.075000      0.4635000       1.575000
  1 1 1      -6  -34    2 o    2.808000      0.7665000       3.316000 1.172000       2.300000      0.9889000       1.016000       1.533000
  1 1 1      -6  -34    3 o    2.986000      0.7829000       3.605000 1.205000       2.367000       1.000000       1.238000       1.566000
  1 1 1      -6  -34    4 o    3.036000      0.7796000       2.722000 1.130000       3.351000       1.074000     -0.6288000       1.559000
  1 1 1      -6  -34    5 o    2.875000      0.7709000       2.803000 1.127000       2.947000       1.053000     -0.1436000       1.542000
  1 1 1      -6  -34    6 o    2.551000      0.7366000       2.815000 1.113000       2.288000      0.9656000      0.5269000       1.473000
  1 1 1      -6  -34    7 o    2.487000      0.7090000       2.064000 0.9687000       2.911000       1.036000     -0.8473000       1.418000
  1 1 1      -6  -34    8 o    2.787000      0.7731000       3.257000 1.187000       2.318000      0.9908000      0.9392000       1.546000
  1 1 1      -6  -34    9 o    1.944000      0.6420000       1.748000 0.8522000       2.139000      0.9603000     -0.3914000       1.284000
  1 1 1      -6  -34   10 o    3.088000      0.8110000       3.007000 1.156000       3.169000       1.138000     -0.1618000       1.622000
  1 1 1      -6  -34   11 o    4.454000       1.097000       4.454000 1.097000                  ?              ?              ?              ?
  1 1 1      -6  -33    1 o    2.900000      0.7676000       2.760000 1.095000       3.039000       1.076000     -0.2786000       1.535000
  1 1 1      -6  -33    2 o    3.956000      0.7604000       3.555000 1.158000       4.357000      0.9859000     -0.8013000       1.521000
  1 1 1      -6  -33    3 o    4.024000      0.7880000       3.903000 1.239000       4.144000      0.9736000     -0.2405000       1.576000
  1 1 1      -6  -33    4 o    2.739000      0.8162000       3.065000 1.284000       2.412000       1.009000      0.6538000       1.632000
  1 1 1      -6  -33    5 o    2.741000      0.7555000       3.078000 1.146000       2.403000      0.9847000      0.6755000       1.511000
  1 1 1      -6  -33    6 o    2.938000      0.7788000       3.214000 1.170000       2.663000       1.028000      0.5509000       1.558000
  1 1 1      -6  -33    7 o    3.495000      0.7226000       4.629000 1.062000       2.361000      0.9799000       2.268000       1.445000
  1 1 1      -6  -33    8 o    2.643000      0.7488000       3.120000 1.156000       2.167000      0.9527000      0.9533000       1.498000
  1 1 1      -6  -33    9 o    2.118000      0.6648000       1.976000 0.9276000       2.261000      0.9524000     -0.2855000       1.330000
  1 1 1      -6  -33   10 o    2.782000      0.7198000       3.398000 1.100000       2.166000      0.9284000       1.231000       1.440000
  1 1 1      -6  -33   11 o    2.354000      0.6676000       2.081000 0.9337000       2.627000      0.9544000     -0.5462000       1.335000
  1 1 1      -6  -33   12 o    3.340000      0.7517000       3.832000 1.064000       2.849000       1.062000      0.9825000       1.503000
  1 1 1      -6  -33   13 o    3.693000       1.070000                  ?       ?   3.693000       1.070000                  ?              ?
  1 1 1      -6  -33   14 o    2.299000      0.6868000       2.140000 0.9353000       2.459000       1.006000     -0.3197000       1.374000
  1 1 1      -6  -32    1 o    2.447000      0.6928000       3.121000 1.109000       1.773000      0.8309000       1.348000       1.386000
  1 1 1      -6  -32    2 o    5.695000      0.5570000       6.041000 0.7777000       5.349000      0.7976000      0.6915000       1.114000
  1 1 1      -6  -32    3 o    2.644000      0.7418000       2.420000 1.045000       2.868000       1.054000     -0.4481000       1.484000
  1 1 1      -6  -32    4 o    3.196000      0.7561000       3.663000 1.113000       2.728000       1.024000      0.9354000       1.512000
  1 1 1      -6  -32    5 o    2.741000      0.7196000       2.413000 1.024000       3.069000       1.011000     -0.6558000       1.439000
  1 1 1      -6  -32    6 o    2.473000      0.6538000       1.820000 0.8605000       3.126000      0.9845000      -1.306000       1.308000
  1 1 1      -6  -32    7 o    2.142000      0.6626000       2.354000 1.010000       1.930000      0.8577000      0.4237000       1.325000
  1 1 1      -6  -32    8 o    2.876000      0.7545000       3.107000 1.146000       2.645000      0.9822000      0.4622000       1.509000
  1 1 1      -6  -32    9 o    3.108000      0.7600000       3.456000 1.131000       2.760000       1.016000      0.6966000       1.520000
  1 1 1      -6  -32   10 f    3.160000      0.7160000       2.729000 1.038000       3.592000      0.9867000     -0.8629000       1.432000
  1 1 1      -6  -32   11 o    2.346000      0.6728000       2.849000 1.045000       1.844000      0.8482000       1.006000       1.346000
  1 1 1      -6  -32   12 o    2.305000      0.7030000       2.121000 0.9571000       2.488000       1.030000     -0.3677000       1.406000
  1 1 1      -6  -32   13 o    2.826000      0.6716000       1.874000 0.8810000       3.779000       1.014000      -1.905000       1.343000
  1 1 1      -6  -32   14 o    2.182000      0.6520000       1.976000 0.8855000       2.388000      0.9571000     -0.4118000       1.304000
  1 1 1      -6  -32   15 o    2.444000      0.6756000       1.883000 0.8749000       3.006000       1.030000      -1.123000       1.351000
  1 1 1      -6  -32   16 f    1.754000      0.5822000       1.672000 0.7930000       1.835000      0.8526000     -0.1634000       1.164000
  1 1 1      -6  -32   17 o    3.667000      0.8462000       3.964000 1.367000       3.369000      0.9976000      0.5956000       1.692000
  1 1 1      -6  -31    1 o    5.256000      0.5473000       4.349000 0.9235000       6.163000      0.5877000      -1.814000       1.095000
  1 1 1      -6  -31    2 o    3.831000      0.6638000       4.307000 0.9252000       3.355000      0.9520000      0.9521000       1.328000
  1 1 1      -6  -31    3 o    2.610000      0.6938000       2.430000 0.9879000       2.789000      0.9743000     -0.3592000       1.388000
  1 1 1      -6  -31    4 o    1.714000      0.5626000       1.787000 0.8284000       1.641000      0.7614000      0.1462000       1.125000
  1 1 1      -6  -31    5 o    2.205000      0.6444000       2.378000 0.9592000       2.031000      0.8609000      0.3477000       1.289000
  1 1 1      -6  -31    6 o    3.458000      0.6843000       4.108000 0.9628000       2.808000      0.9727000       1.300000       1.369000
  1 1 1      -6  -31    7 f    4.682000      0.5962000       4.057000 0.9901000       5.307000      0.6646000      -1.249000       1.192000
  1 1 1      -6  -31    8 o    1.885000      0.5961000       2.180000 0.9331000       1.589000      0.7420000      0.5909000       1.192000
  1 1 1      -6  -31    9 o    3.027000      0.6940000       3.210000 1.027000       2.843000      0.9333000      0.3674000       1.388000
  1 1 1      -6  -31   10 f    3.250000      0.6772000       2.415000 0.9994000       4.084000      0.9140000      -1.668000       1.354000
  1 1 1      -6  -31   11 o    1.819000      0.5990000       1.925000 0.8905000       1.713000      0.8014000      0.2114000       1.198000
  1 1 1      -6  -31   12 o    2.604000      0.6320000       1.877000 0.8802000       3.331000      0.9071000      -1.454000       1.264000
  1 1 1      -6  -31   13 o    2.880000      0.7285000       2.608000 1.030000       3.152000       1.031000     -0.5437000       1.457000
  1 1 1      -6  -31   14 o    2.840000      0.6690000       2.276000 0.9506000       3.403000      0.9415000      -1.127000       1.338000
  1 1 1      -6  -31   15 o    2.419000      0.6913000       2.546000 1.011000       2.292000      0.9428000      0.2539000       1.383000
  1 1 1      -6  -31   16 o    2.024000      0.6098000       1.657000 0.7789000       2.390000      0.9384000     -0.7331000       1.220000
  1 1 1      -6  -31   17 o    2.165000      0.6357000       2.128000 0.9005000       2.202000      0.8975000     -0.7352000E-01   1.271000
  1 1 1      -6  -31   18 o    2.552000      0.6900000       2.802000 0.9942000       2.303000      0.9570000      0.4988000       1.380000
  1 1 1      -6  -31   19 o    2.533000      0.6833000       2.323000 0.9339000       2.742000      0.9977000     -0.4187000       1.367000
  1 1 1      -6  -30    1 o    2.005000      0.6103000       1.921000 0.8614000       2.089000      0.8649000     -0.1679000       1.221000
  1 1 1      -6  -30    2 o    4.360000      0.5946000       4.467000 0.9082000       4.254000      0.7677000      0.2130000       1.189000
  1 1 1      -6  -30    3 o    4.108000      0.5279000       4.315000 0.7736000       3.901000      0.7184000      0.4142000       1.056000
  1 1 1      -6  -30    4 o    3.159000      0.5903000       2.254000 0.9419000       4.065000      0.7118000      -1.811000       1.181000
  1 1 1      -6  -30    5 o    4.619000      0.5478000       3.889000 0.9458000       5.348000      0.5531000      -1.459000       1.096000
  1 1 1      -6  -30    6 o    3.308000      0.6213000       3.567000 0.9250000       3.050000      0.8299000      0.5170000       1.243000
  1 1 1      -6  -30    7 o    4.203000      0.5610000       4.092000 0.8985000       4.314000      0.6718000     -0.2220000       1.122000
  1 1 1      -6  -30    8 o    1.736000      0.5598000       1.938000 0.8630000       1.535000      0.7132000      0.4034000       1.120000
  1 1 1      -6  -30    9 o    2.042000      0.6021000       2.403000 0.9463000       1.681000      0.7447000      0.7219000       1.204000
  1 1 1      -6  -30   10 o    5.887000      0.4463000       5.390000 0.7404000       6.384000      0.4987000     -0.9943000      0.8927000
  1 1 1      -6  -30   11 o    4.007000      0.6082000       3.161000 1.027000       4.853000      0.6515000      -1.692000       1.216000
  1 1 1      -6  -30   12 o    4.856000      0.8179000       4.856000 0.8179000                  ?              ?              ?              ?
  1 1 1      -6  -30   13 o    4.060000      0.6218000       3.316000 1.013000       4.803000      0.7212000      -1.487000       1.244000
  1 1 1      -6  -30   14 o    2.469000      0.8891000                  ?       ?   2.469000      0.8891000                  ?              ?
  1 1 1      -6  -30   15 o    3.758000      0.6637000       4.196000 0.9541000       3.319000      0.9228000      0.8767000       1.327000
  1 1 1      -6  -30   16 o    3.979000      0.5987000       4.435000 0.8066000       3.523000      0.8849000      0.9117000       1.197000
  1 1 1      -6  -30   17 o    2.504000      0.6374000       2.250000 0.9076000       2.758000      0.8951000     -0.5081000       1.275000
  1 1 1      -6  -30   18 o    2.752000      0.6564000       2.230000 0.9315000       3.274000      0.9252000      -1.044000       1.313000
  1 1 1      -6  -30   19 o    3.848000      0.6001000       4.721000 0.7572000       2.976000      0.9312000       1.745000       1.200000
  1 1 1      -6  -30   20 o    3.710000      0.6690000       3.956000 0.9138000       3.465000      0.9772000      0.4918000       1.338000
  1 1 1      -6  -30   21 o    3.220000       1.247000       3.220000 1.247000                  ?              ?              ?              ?
  1 1 1      -6  -29    1 o    2.565000      0.8346000       2.474000 1.161000       2.657000       1.200000     -0.1830000       1.669000
  1 1 1      -6  -29    2 o    2.702000      0.8464000       2.686000 1.214000       2.717000       1.179000     -0.3098000E-01   1.693000
  1 1 1      -6  -29    3 o    3.233000      0.9387000       3.571000 1.421000       2.895000       1.227000      0.6764000       1.877000
  1 1 1      -6  -29    4 o    3.213000      0.9247000       2.916000 1.300000       3.511000       1.316000     -0.5946000       1.849000
  1 1 1      -6  -29    5 o    5.120000      0.9256000       4.702000 1.418000       5.538000       1.190000     -0.8369000       1.851000
  1 1 1      -6  -29    6 o    2.383000      0.7718000       2.355000 1.087000       2.411000       1.096000     -0.5610000E-01   1.544000
  1 1 1      -6  -29    7 o    3.377000      0.8281000       3.669000 1.181000       3.086000       1.161000      0.5826000       1.656000
  1 1 1      -6  -29    8 o    2.695000      0.7611000       3.187000 1.159000       2.203000      0.9873000      0.9840000       1.522000
  1 1 1      -6  -29    9 o    3.728000      0.7745000       2.955000 1.132000       4.502000       1.057000      -1.548000       1.549000
  1 1 1      -6  -29   10 o    5.883000      0.5872000       6.149000 0.7860000       5.616000      0.8725000      0.5332000       1.174000
  1 1 1      -6  -29   11 o    3.207000      0.7926000       3.078000 1.098000       3.335000       1.144000     -0.2566000       1.585000
  1 1 1      -6  -29   12 o    5.750000      0.4702000       5.723000 0.5566000       5.777000      0.7580000     -0.5424000E-01  0.9404000
  1 1 1      -6  -29   13 o    2.829000      0.6411000       2.604000 0.9346000       3.055000      0.8777000     -0.4509000       1.282000
  1 1 1      -6  -29   14 o    2.849000      0.8795000                  ?       ?   2.849000      0.8795000                  ?              ?
  1 1 1      -6  -29   15 o    5.719000      0.4251000       5.504000 0.6784000       5.935000      0.5124000     -0.4305000      0.8502000
  1 1 1      -6  -29   16 o    6.754000      0.3709000       6.571000 0.5840000       6.937000      0.4574000     -0.3656000      0.7418000
  1 1 1      -6  -29   17 o    2.744000      0.6584000       2.810000 0.9343000       2.677000      0.9281000      0.1331000       1.317000
  1 1 1      -6  -29   18 o    2.590000      0.6163000       2.051000 0.8626000       3.129000      0.8804000      -1.078000       1.233000
  1 1 1      -6  -29   19 o    2.040000      0.6135000       1.786000 0.8145000       2.295000      0.9175000     -0.5093000       1.227000
  1 1 1      -6  -29   20 o    2.704000      0.6690000       2.969000 0.9564000       2.440000      0.9357000      0.5290000       1.338000
  1 1 1      -6  -29   21 o    4.344000      0.5991000       5.163000 0.6991000       3.525000      0.9731000       1.638000       1.198000
  1 1 1      -6  -29   22 o    4.154000      0.5846000       3.532000 0.9152000       4.777000      0.7278000      -1.246000       1.169000
  1 1 1      -6  -28    1 o    3.896000      0.5296000       4.527000 0.6642000       3.266000      0.8251000       1.261000       1.059000
  1 1 1      -6  -28    2 o    6.568000      0.3526000       6.910000 0.4794000       6.227000      0.5172000      0.6832000      0.7052000
  1 1 1      -6  -28    3 o    6.188000      0.3500000       5.449000 0.5821000       6.927000      0.3886000      -1.477000      0.6999000
  1 1 1      -6  -28    4 o    7.579000      0.3170000       7.205000 0.5119000       7.953000      0.3742000     -0.7485000      0.6341000
  1 1 1      -6  -28    5 f    4.985000      0.4108000       4.926000 0.6657000       5.043000      0.4817000     -0.1176000      0.8217000
  1 1 1      -6  -28    6 o    4.840000      0.5853000       4.663000 0.6427000       5.017000      0.9785000     -0.3537000       1.171000
  1 1 1      -6  -28    7 o    2.757000      0.5896000       2.689000 0.8880000       2.825000      0.7758000     -0.1360000       1.179000
  1 1 1      -6  -28    8 o    7.052000      0.3050000       7.767000 0.4523000       6.337000      0.4092000       1.430000      0.6100000
  1 1 1      -6  -28    9 o    3.547000      0.5341000       3.692000 0.8346000       3.403000      0.6668000      0.2888000       1.068000
  1 1 1      -6  -28   10 o    3.257000      0.5860000       2.961000 0.9230000       3.553000      0.7223000     -0.5925000       1.172000
  1 1 1      -6  -28   11 f    4.018000      0.4732000       4.190000 0.6812000       3.845000      0.6571000      0.3448000      0.9465000
  1 1 1      -6  -28   12 o    9.555000      0.2717000       9.208000 0.4015000       9.903000      0.3661000     -0.6958000      0.5433000
  1 1 1      -6  -28   13 o    1.793000      0.5194000       1.721000 0.7592000       1.864000      0.7091000     -0.1433000       1.039000
  1 1 1      -6  -28   14 o    3.443000      0.6573000       2.799000 0.9473000       4.086000      0.9116000      -1.287000       1.315000
  1 1 1      -6  -28   15 o    2.957000      0.6844000       3.511000 0.9562000       2.403000      0.9795000       1.107000       1.369000
  1 1 1      -6  -28   16 o    3.953000      0.6312000       3.236000 0.8822000       4.671000      0.9029000      -1.434000       1.262000
  1 1 1      -6  -28   17 o    3.296000      0.7371000       3.181000 0.9618000       3.412000       1.117000     -0.2309000       1.474000
  1 1 1      -6  -28   18 o    3.349000      0.6175000       3.172000 0.8909000       3.526000      0.8553000     -0.3542000       1.235000
  1 1 1      -6  -28   19 o    4.509000      0.5015000       4.725000 0.6714000       4.293000      0.7451000      0.4319000       1.003000
  1 1 1      -6  -28   20 o    3.821000      0.5995000       4.510000 0.7443000       3.132000      0.9401000       1.377000       1.199000
  1 1 1      -6  -28   21 o    3.788000      0.6320000       4.118000 0.8211000       3.458000      0.9610000      0.6600000       1.264000
  1 1 1      -6  -28   22 o    4.413000      0.5563000       5.401000 0.6293000       3.425000      0.9176000       1.976000       1.113000
  1 1 1      -6  -28   23 o    2.809000      0.6948000       2.799000 0.9659000       2.818000      0.9991000     -0.1926000E-01   1.390000
  1 1 1      -6  -28   24 o    2.699000      0.7496000       3.426000 1.220000       1.972000      0.8708000       1.454000       1.499000
  1 1 1      -6  -27    1 f    6.817000      0.3167000       6.564000 0.4781000       7.071000      0.4155000     -0.5069000      0.6334000
  1 1 1      -6  -27    2 o    7.925000      0.3099000       7.375000 0.4828000       8.475000      0.3887000      -1.100000      0.6198000
  1 1 1      -6  -27    3 o    6.913000      0.3352000       6.645000 0.5370000       7.182000      0.4014000     -0.5371000      0.6705000
  1 1 1      -6  -27    4 o    10.06000      0.2767000       9.930000 0.4258000       10.19000      0.3536000     -0.2569000      0.5534000
  1 1 1      -6  -27    5 o    5.406000      0.3823000       5.113000 0.6300000       5.698000      0.4332000     -0.5850000      0.7646000
  1 1 1      -6  -27    6 o    5.067000      0.3799000       4.514000 0.6386000       5.621000      0.4117000      -1.107000      0.7598000
  1 1 1      -6  -27    7 o    5.089000      0.3779000       4.661000 0.6116000       5.518000      0.4442000     -0.8569000      0.7558000
  1 1 1      -6  -27    8 o    2.519000      0.6633000       3.084000 1.063000       1.954000      0.7938000       1.130000       1.327000
  1 1 1      -6  -27    9 o    2.495000      0.6498000       2.908000 1.031000       2.081000      0.7910000      0.8269000       1.300000
  1 1 1      -6  -27   10 o    4.311000      0.6404000       4.817000 0.9736000       3.806000      0.8323000       1.011000       1.281000
  1 1 1      -6  -27   11 o    2.658000      0.6638000       2.273000 1.004000       3.044000      0.8690000     -0.7714000       1.328000
  1 1 1      -6  -27   12 o    4.542000      0.6493000       3.974000 1.125000       5.110000      0.6486000      -1.136000       1.299000
  1 1 1      -6  -27   13 o    3.270000      0.6803000       2.543000 1.110000       3.997000      0.7875000      -1.455000       1.361000
  1 1 1      -6  -27   14 o    1.615000      0.5166000       1.378000 0.6535000       1.853000      0.8002000     -0.4752000       1.033000
  1 1 1      -6  -27   15 o    1.921000      0.5440000       2.298000 0.8303000       1.545000      0.7032000      0.7529000       1.088000
  1 1 1      -6  -27   16 o    8.383000      0.2691000       8.336000 0.3905000       8.429000      0.3704000     -0.9249000E-01  0.5383000
  1 1 1      -6  -27   17 o    3.750000      0.4837000       4.225000 0.5910000       3.275000      0.7659000      0.9498000      0.9674000
  1 1 1      -6  -27   18 o    4.608000      0.4296000       4.854000 0.5948000       4.362000      0.6200000      0.4914000      0.8591000
  1 1 1      -6  -27   19 o    2.321000      0.6799000       1.849000 0.8172000       2.792000       1.087000     -0.9426000       1.360000
  1 1 1      -6  -27   20 o    2.751000      0.7307000       2.059000 0.8819000       3.443000       1.165000      -1.384000       1.461000
  1 1 1      -6  -27   21 o    2.483000      0.6888000       2.192000 0.8804000       2.774000       1.059000     -0.5816000       1.378000
  1 1 1      -6  -27   22 o    2.457000      0.6726000       2.720000 1.008000       2.194000      0.8908000      0.5260000       1.345000
  1 1 1      -6  -27   23 o    3.847000      0.6002000       4.486000 0.7216000       3.208000      0.9594000       1.278000       1.200000
  1 1 1      -6  -27   24 o    3.080000      0.6497000       3.557000 0.8926000       2.604000      0.9442000      0.9532000       1.299000
  1 1 1      -6  -27   25 o    1.843000      0.5841000       1.609000 0.7551000       2.077000      0.8912000     -0.4680000       1.168000
  1 1 1      -6  -26    1 o    7.031000      0.2829000       6.970000 0.4244000       7.092000      0.3743000     -0.1221000      0.5659000
  1 1 1      -6  -26    2 o    3.371000      0.5242000       3.245000 0.8359000       3.498000      0.6329000     -0.2536000       1.048000
  1 1 1      -6  -26    3 o    4.765000      0.3582000       5.033000 0.5435000       4.498000      0.4667000      0.5352000      0.7164000
  1 1 1      -6  -26    4 f    2.353000      0.5568000       2.732000 0.8367000       1.974000      0.7349000      0.7578000       1.114000
  1 1 1      -6  -26    5 o    1.728000      0.5160000       1.966000 0.7965000       1.490000      0.6563000      0.4764000       1.032000
  1 1 1      -6  -26    6 o    4.582000      0.3762000       4.035000 0.6347000       5.130000      0.4041000      -1.094000      0.7524000
  1 1 1      -6  -26    7 o    1.937000      0.5390000       2.522000 0.8740000       1.352000      0.6310000       1.170000       1.078000
  1 1 1      -6  -26    8 o    4.936000      0.3805000       5.015000 0.6010000       4.857000      0.4670000      0.1579000      0.7611000
  1 1 1      -6  -26    9 o    5.183000      0.3630000       4.738000 0.5996000       5.628000      0.4094000     -0.8902000      0.7261000
  1 1 1      -6  -26   10 o    1.836000      0.5163000       2.227000 0.7994000       1.445000      0.6536000      0.7821000       1.033000
  1 1 1      -6  -26   11 o    6.085000      0.2925000       5.703000 0.4491000       6.468000      0.3748000     -0.7657000      0.5849000
  1 1 1      -6  -26   12 o    2.534000      0.5421000       2.251000 0.7838000       2.816000      0.7492000     -0.5651000       1.084000
  1 1 1      -6  -26   13 o    6.860000      0.3804000       6.860000 0.3804000                  ?              ?              ?              ?
  1 1 1      -6  -26   14 o    4.920000      0.4133000       5.151000 0.4656000       4.688000      0.6829000      0.4633000      0.8265000
  1 1 1      -6  -26   15 o    6.270000      0.6091000                  ?       ?   6.270000      0.6091000                  ?              ?
  1 1 1      -6  -26   16 o    9.457000      0.4140000       8.806000 0.6833000       10.11000      0.4677000      -1.302000      0.8280000
  1 1 1      -6  -26   17 o    2.545000      0.7294000       2.683000 1.128000       2.407000      0.9255000      0.2760000       1.459000
  1 1 1      -6  -26   18 o    2.754000      0.7539000       2.865000 1.170000       2.643000      0.9506000      0.2227000       1.508000
  1 1 1      -6  -26   19 o    2.312000      0.5641000       2.788000 0.8158000       1.837000      0.7792000      0.9517000       1.128000
  1 1 1      -6  -26   20 o    1.598000      0.5022000       1.856000 0.7671000       1.340000      0.6483000      0.5166000       1.004000
  1 1 1      -6  -26   21 o    1.711000      0.5399000       1.871000 0.7978000       1.551000      0.7275000      0.3200000       1.080000
  1 1 1      -6  -26   22 o    4.596000      0.4617000       4.269000 0.7145000       4.922000      0.5849000     -0.6529000      0.9233000
  1 1 1      -6  -26   23 o    8.368000      0.4130000       8.790000 0.5071000       7.946000      0.6520000      0.8448000      0.8260000
  1 1 1      -6  -26   24 o    6.173000      0.6230000       7.225000 0.6392000       5.121000       1.070000       2.104000       1.246000
  1 1 1      -6  -26   25 o    2.586000      0.6838000       2.942000 1.008000       2.230000      0.9239000      0.7119000       1.368000
  1 1 1      -6  -26   26 o    2.514000      0.6737000       2.618000 0.9572000       2.409000      0.9482000      0.2087000       1.347000
  1 1 1      -6  -25    1 o    2.296000      0.5067000       1.882000 0.7669000       2.711000      0.6625000     -0.8288000       1.013000
  1 1 1      -6  -25    2 o    2.402000      0.5209000       2.303000 0.8008000       2.502000      0.6663000     -0.1989000       1.042000
  1 1 1      -6  -25    3 o    2.029000      0.5409000       2.220000 0.8316000       1.837000      0.6920000      0.3831000       1.082000
  1 1 1      -6  -25    4 o    10.10000      0.2198000       10.05000 0.3330000       10.14000      0.2871000     -0.8871000E-01  0.4397000
  1 1 1      -6  -25    5 o    5.329000      0.2957000       4.825000 0.4867000       5.833000      0.3361000      -1.007000      0.5915000
  1 1 1      -6  -25    6 o    4.617000      0.3173000       4.913000 0.4793000       4.321000      0.4160000      0.5914000      0.6347000
  1 1 1      -6  -25    7 o    6.148000      0.2654000       5.974000 0.4023000       6.323000      0.3463000     -0.3493000      0.5308000
  1 1 1      -6  -25    8 o    9.373000      0.2581000       9.234000 0.4188000       9.512000      0.3018000     -0.2780000      0.5162000
  1 1 1      -6  -25    9 o    8.692000      0.2247000       8.542000 0.3309000       8.843000      0.3040000     -0.3009000      0.4494000
  1 1 1      -6  -25   10 o    9.186000      0.2278000       9.173000 0.3343000       9.200000      0.3094000     -0.2692000E-01  0.4555000
  1 1 1      -6  -25   11 o    6.599000      0.2638000       6.699000 0.3786000       6.499000      0.3674000      0.2009000      0.5276000
  1 1 1      -6  -25   12 o    6.087000      0.2826000       6.018000 0.4160000       6.155000      0.3826000     -0.1377000      0.5652000
  1 1 1      -6  -25   13 o    5.351000      0.2872000       6.060000 0.4195000       4.641000      0.3925000       1.419000      0.5745000
  1 1 1      -6  -25   14 o    7.853000      0.2386000       8.195000 0.3311000       7.512000      0.3435000      0.6834000      0.4771000
  1 1 1      -6  -25   15 o    4.287000      0.4653000                  ?       ?   4.287000      0.4653000                  ?              ?
  1 1 1      -6  -25   16 o    2.192000      0.5195000       1.853000 0.7255000       2.532000      0.7439000     -0.6791000       1.039000
  1 1 1      -6  -25   17 f    3.264000      0.4855000       3.582000 0.6243000       2.945000      0.7437000      0.6368000      0.9711000
  1 1 1      -6  -25   18 o    1.787000      0.5102000       2.086000 0.7582000       1.488000      0.6829000      0.5979000       1.020000
  1 1 1      -6  -25   19 o    3.576000      0.4199000       3.289000 0.5440000       3.864000      0.6399000     -0.5754000      0.8399000
  1 1 1      -6  -25   20 o    3.639000      0.7541000       3.687000 1.216000       3.590000      0.8925000      0.9720000E-01   1.508000
  1 1 1      -6  -25   21 o    3.203000      0.8236000       3.975000 1.336000       2.430000      0.9638000       1.544000       1.647000
  1 1 1      -6  -25   22 o    7.586000      0.3606000       7.243000 0.4372000       7.929000      0.5737000     -0.6861000      0.7213000
  1 1 1      -6  -25   23 o    3.928000      0.5089000       4.006000 0.6414000       3.851000      0.7902000      0.1547000       1.018000
  1 1 1      -6  -25   24 o    3.029000      0.6541000       3.525000 0.8885000       2.533000      0.9601000      0.9926000       1.308000
  1 1 1      -6  -25   25 o    2.567000      0.6503000       2.446000 0.8936000       2.688000      0.9452000     -0.2413000       1.301000
  1 1 1      -6  -25   26 o    4.113000      0.7763000       4.628000 0.9217000       3.598000       1.249000       1.030000       1.553000
  1 1 1      -6  -25   27 o    2.419000      0.7147000       2.593000 1.011000       2.244000       1.011000      0.3497000       1.429000
  1 1 1      -6  -24    1 o    7.247000      0.2487000       6.964000 0.3838000       7.531000      0.3164000     -0.5674000      0.4974000
  1 1 1      -6  -24    2 o    6.405000      0.2660000       6.560000 0.4165000       6.251000      0.3310000      0.3085000      0.5321000
  1 1 1      -6  -24    3 o    11.32000      0.2216000       11.22000 0.3325000       11.42000      0.2931000     -0.1956000      0.4432000
  1 1 1      -6  -24    4 o    11.86000      0.2164000       11.58000 0.3194000       12.13000      0.2922000     -0.5520000      0.4329000
  1 1 1      -6  -24    5 o    5.484000      0.2722000       5.530000 0.4244000       5.438000      0.3408000      0.9143000E-01  0.5443000
  1 1 1      -6  -24    6 o    8.676000      0.2102000       8.779000 0.3179000       8.574000      0.2753000      0.2051000      0.4205000
  1 1 1      -6  -24    7 o    6.853000      0.2225000       6.363000 0.3386000       7.344000      0.2887000     -0.9803000      0.4450000
  1 1 1      -6  -24    8 o    6.426000      0.2208000       6.171000 0.3303000       6.682000      0.2931000     -0.5108000      0.4416000
  1 1 1      -6  -24    9 o    2.899000      0.4329000       2.642000 0.6609000       3.156000      0.5593000     -0.5136000      0.8658000
  1 1 1      -6  -24   10 o    3.945000      0.3535000       4.435000 0.4556000       3.456000      0.5406000      0.9791000      0.7070000
  1 1 1      -6  -24   11 o    4.985000      0.2780000       4.703000 0.3982000       5.267000      0.3879000     -0.5647000      0.5559000
  1 1 1      -6  -24   12 o    4.255000      0.5942000       3.401000 1.113000       5.108000      0.4174000      -1.707000       1.188000
  1 1 1      -6  -24   13 o    4.457000      0.3491000       4.889000 0.4493000       4.026000      0.5343000      0.8628000      0.6981000
  1 1 1      -6  -24   14 o    4.360000      0.3338000       4.407000 0.4824000       4.313000      0.4615000      0.9415000E-01  0.6676000
  1 1 1      -6  -24   15 o    4.766000      0.3247000       5.002000 0.4349000       4.529000      0.4824000      0.4723000      0.6495000
  1 1 1      -6  -24   16 o    5.491000      0.2862000       5.519000 0.3902000       5.463000      0.4187000      0.5623000E-01  0.5723000
  1 1 1      -6  -24   17 o    6.579000      0.2620000       6.984000 0.3485000       6.174000      0.3914000      0.8098000      0.5241000
  1 1 1      -6  -24   18 o    2.183000      0.5210000       1.667000 0.6885000       2.699000      0.7822000      -1.032000       1.042000
  1 1 1      -6  -24   19 o    1.776000      0.5074000       2.077000 0.7492000       1.475000      0.6844000      0.6024000       1.015000
  1 1 1      -6  -24   20 o    2.331000      0.5606000       1.969000 0.7804000       2.693000      0.8049000     -0.7238000       1.121000
  1 1 1      -6  -24   21 o    3.189000      0.5288000       3.492000 0.6897000       2.886000      0.8018000      0.6057000       1.058000
  1 1 1      -6  -24   22 o    3.072000      0.6017000       3.039000 0.8428000       3.105000      0.8591000     -0.6509000E-01   1.203000
  1 1 1      -6  -24   23 o    2.784000      0.7721000       2.830000 1.152000       2.738000       1.028000      0.9260000E-01   1.544000
  1 1 1      -6  -24   24 o    3.018000      0.7684000       3.019000 1.157000       3.017000       1.011000      0.2377000E-02   1.537000
  1 1 1      -6  -24   25 o    1.871000      0.5722000       2.233000 0.8917000       1.510000      0.7174000      0.7229000       1.144000
  1 1 1      -6  -24   26 o    5.481000      0.4376000       5.374000 0.6150000       5.588000      0.6227000     -0.2139000      0.8752000
  1 1 1      -6  -24   27 f    2.848000      0.6356000       3.442000 0.8992000       2.255000      0.8986000       1.188000       1.271000
  1 1 1      -6  -24   28 o    2.340000      0.7143000       2.454000 1.002000       2.225000       1.018000      0.2287000       1.429000
  1 1 1      -6  -23    1 o    5.674000      0.2761000       5.734000 0.4278000       5.614000      0.3491000      0.1208000      0.5522000
  1 1 1      -6  -23    2 o    6.466000      0.2485000       5.892000 0.4028000       7.039000      0.2912000      -1.148000      0.4970000
  1 1 1      -6  -23    3 f    7.240000      0.2128000       7.136000 0.3269000       7.343000      0.2726000     -0.2069000      0.4257000
  1 1 1      -6  -23    4 o    2.776000      0.4268000       2.775000 0.6780000       2.777000      0.5187000     -0.1367000E-02  0.8537000
  1 1 1      -6  -23    5 o    2.512000      0.4743000       2.679000 0.7095000       2.345000      0.6297000      0.3336000      0.9486000
  1 1 1      -6  -23    6 o    5.893000      0.2255000       6.377000 0.3185000       5.409000      0.3192000      0.9682000      0.4509000
  1 1 1      -6  -23    7 o    6.058000      0.2106000       5.776000 0.3134000       6.341000      0.2813000     -0.5657000      0.4211000
  1 1 1      -6  -23    8 o    5.944000      0.2354000       5.633000 0.3495000       6.255000      0.3154000     -0.6218000      0.4708000
  1 1 1      -6  -23    9 o    1.799000      0.4575000       2.000000 0.6591000       1.598000      0.6348000      0.4020000      0.9150000
  1 1 1      -6  -23   10 o    2.239000      0.4831000       2.355000 0.6609000       2.122000      0.7048000      0.2325000      0.9662000
  1 1 1      -6  -23   11 o    8.325000      0.2128000       8.187000 0.3047000       8.464000      0.2970000     -0.2772000      0.4255000
  1 1 1      -6  -23   12 f    3.588000      0.3517000       3.767000 0.4309000       3.408000      0.5559000      0.3596000      0.7034000
  1 1 1      -6  -23   13 o    8.361000      0.2202000       8.367000 0.3130000       8.356000      0.3097000      0.1046000E-01  0.4404000
  1 1 1      -6  -23   14 o    5.049000      0.2949000       5.568000 0.3818000       4.530000      0.4495000       1.039000      0.5898000
  1 1 1      -6  -23   15 o    3.164000      0.4449000       3.288000 0.5804000       3.041000      0.6744000      0.2469000      0.8898000
  1 1 1      -6  -23   16 o    1.561000      0.4697000       1.518000 0.6534000       1.605000      0.6750000     -0.8754000E-01  0.9395000
  1 1 1      -6  -23   17 o    3.673000      0.3893000       3.609000 0.5466000       3.738000      0.5543000     -0.1289000      0.7785000
  1 1 1      -6  -23   18 o    4.956000      0.3157000       4.581000 0.4486000       5.332000      0.4444000     -0.7513000      0.6314000
  1 1 1      -6  -23   19 o    7.563000      0.2565000       7.726000 0.3504000       7.401000      0.3747000      0.3245000      0.5130000
  1 1 1      -6  -23   20 o    9.343000      0.2530000       9.690000 0.3434000       8.996000      0.3716000      0.6942000      0.5060000
  1 1 1      -6  -23   21 o    2.789000      0.5781000       3.029000 0.7886000       2.549000      0.8454000      0.4799000       1.156000
  1 1 1      -6  -23   22 o    2.083000      0.5611000       2.197000 0.7952000       1.970000      0.7918000      0.2275000       1.122000
  1 1 1      -6  -23   23 o    4.421000      0.4465000       4.519000 0.5953000       4.324000      0.6657000      0.1953000      0.8931000
  1 1 1      -6  -23   24 o    2.339000      0.6111000       2.118000 0.8403000       2.561000      0.8875000     -0.4424000       1.222000
  1 1 1      -6  -23   25 o    2.170000      0.6613000       2.152000 1.002000       2.189000      0.8634000     -0.3693000E-01   1.323000
  1 1 1      -6  -23   26 o    4.022000      0.7434000       4.063000 1.096000       3.980000       1.005000      0.8275000E-01   1.487000
  1 1 1      -6  -23   27 o    3.265000      0.8105000       2.989000 1.212000       3.540000       1.076000     -0.5510000       1.621000
  1 1 1      -6  -23   28 o    1.996000      0.5951000       2.211000 0.8853000       1.780000      0.7956000      0.4318000       1.190000
  1 1 1      -6  -23   29 o    2.897000      0.6135000       2.036000 0.8485000       3.758000      0.8865000      -1.722000       1.227000
  1 1 1      -6  -22    1 o    1.856000      0.4304000       1.430000 0.6221000       2.281000      0.5951000     -0.8504000      0.8609000
  1 1 1      -6  -22    2 f    1.761000      0.4369000       1.925000 0.6555000       1.597000      0.5777000      0.3281000      0.8737000
  1 1 1      -6  -22    3 o    1.483000      0.4263000       1.524000 0.6346000       1.443000      0.5694000      0.8055000E-01  0.8526000
  1 1 1      -6  -22    4 o    4.952000      0.2353000       5.313000 0.3453000       4.592000      0.3197000      0.7206000      0.4705000
  1 1 1      -6  -22    5 o    3.434000      0.2917000       3.499000 0.4294000       3.368000      0.3950000      0.1310000      0.5834000
  1 1 1      -6  -22    6 o    1.929000      0.4340000       1.969000 0.6201000       1.889000      0.6074000      0.8049000E-01  0.8680000
  1 1 1      -6  -22    7 f    3.448000      0.3135000       3.144000 0.4767000       3.752000      0.4073000     -0.6080000      0.6270000
  1 1 1      -6  -22    8 o    7.434000      0.2004000       7.419000 0.2899000       7.449000      0.2768000     -0.2992000E-01  0.4008000
  1 1 1      -6  -22    9 o    5.032000      0.2524000       4.921000 0.3582000       5.143000      0.3558000     -0.2221000      0.5049000
  1 1 1      -6  -22   10 o    1.906000      0.4479000       1.445000 0.5960000       2.367000      0.6689000     -0.9220000      0.8959000
  1 1 1      -6  -22   11 o    6.031000      0.2323000       6.115000 0.3238000       5.948000      0.3331000      0.1668000      0.4646000
  1 1 1      -6  -22   12 o    2.328000      0.4330000       1.635000 0.6457000       3.022000      0.5771000      -1.387000      0.8660000
  1 1 1      -6  -22   13 o    5.459000      0.2588000       5.338000 0.3717000       5.580000      0.3601000     -0.2412000      0.5175000
  1 1 1      -6  -22   14 o    5.204000      0.3891000       5.204000 0.3891000                  ?              ?              ?              ?
  1 1 1      -6  -22   15 o    8.348000      0.2170000       8.488000 0.3053000       8.208000      0.3083000      0.2800000      0.4339000
  1 1 1      -6  -22   16 o    2.456000      0.6927000                  ?       ?   2.456000      0.6927000                  ?              ?
  1 1 1      -6  -22   17 o    6.548000      0.2592000       6.343000 0.3756000       6.753000      0.3573000     -0.4098000      0.5184000
  1 1 1      -6  -22   18 o    3.120000      0.4844000       3.021000 0.6973000       3.219000      0.6725000     -0.1983000      0.9688000
  1 1 1      -6  -22   19 o    3.869000      0.3840000       3.562000 0.5375000       4.175000      0.5485000     -0.6133000      0.7680000
  1 1 1      -6  -22   20 o    5.114000      0.3414000       5.236000 0.4437000       4.991000      0.5190000      0.2451000      0.6828000
  1 1 1      -6  -22   21 o    4.238000      0.4139000       4.357000 0.5324000       4.119000      0.6338000      0.2380000      0.8278000
  1 1 1      -6  -22   22 o    4.575000      0.4199000       4.973000 0.5238000       4.176000      0.6564000      0.7968000      0.8398000
  1 1 1      -6  -22   23 o    2.066000      0.5699000       2.293000 0.8248000       1.839000      0.7868000      0.4542000       1.140000
  1 1 1      -6  -22   24 o    2.792000      0.6242000       2.770000 0.8472000       2.814000      0.9169000     -0.4367000E-01   1.248000
  1 1 1      -6  -22   25 o    2.018000      0.5864000       1.831000 0.7797000       2.206000      0.8761000     -0.3750000       1.173000
  1 1 1      -6  -22   26 f    4.955000      0.4299000       4.805000 0.5785000       5.105000      0.6361000     -0.2998000      0.8599000
  1 1 1      -6  -22   27 o    3.694000      0.5638000       3.775000 0.6952000       3.612000      0.8879000      0.1632000       1.128000
  1 1 1      -6  -22   28 o    3.754000      0.7680000       3.360000 1.186000       4.148000      0.9764000     -0.7877000       1.536000
  1 1 1      -6  -22   29 f    2.670000      0.7596000       3.281000 1.199000       2.059000      0.9333000       1.222000       1.519000
  1 1 1      -6  -22   30 o    1.601000      0.5252000       1.318000 0.6452000       1.883000      0.8289000     -0.5646000       1.050000
  1 1 1      -6  -21    1 o    4.283000      0.2581000       4.353000 0.4083000       4.213000      0.3159000      0.1409000      0.5162000
  1 1 1      -6  -21    2 f    6.996000      0.1965000       6.679000 0.3073000       7.313000      0.2451000     -0.6334000      0.3931000
  1 1 1      -6  -21    3 f    3.864000      0.2816000       3.572000 0.4508000       4.156000      0.3375000     -0.5834000      0.5632000
  1 1 1      -6  -21    4 o    1.529000      0.3948000       1.978000 0.6216000       1.081000      0.4870000      0.8965000      0.7896000
  1 1 1      -6  -21    5 o    2.243000      0.3892000       1.978000 0.6018000       2.508000      0.4939000     -0.5304000      0.7785000
  1 1 1      -6  -21    6 o    6.659000      0.1878000       6.527000 0.2765000       6.791000      0.2541000     -0.2642000      0.3755000
  1 1 1      -6  -21    7 o    3.933000      0.2569000       3.909000 0.3666000       3.958000      0.3599000     -0.4845000E-01  0.5137000
  1 1 1      -6  -21    8 o    3.568000      0.2624000       3.574000 0.3598000       3.563000      0.3821000      0.1085000E-01  0.5249000
  1 1 1      -6  -21    9 o    5.762000      0.2202000       5.530000 0.3090000       5.993000      0.3138000     -0.4634000      0.4404000
  1 1 1      -6  -21   10 o    4.658000      0.2505000       4.615000 0.3503000       4.701000      0.3582000     -0.8569000E-01  0.5010000
  1 1 1      -6  -21   11 o    6.356000      0.2127000       6.355000 0.3013000       6.357000      0.3003000     -0.1462000E-02  0.4254000
  1 1 1      -6  -21   12 o    4.252000      0.2862000       4.479000 0.3777000       4.024000      0.4302000      0.4555000      0.5724000
  1 1 1      -6  -21   13 o    5.765000      0.2431000       6.025000 0.3392000       5.504000      0.3484000      0.5206000      0.4862000
  1 1 1      -6  -21   14 o    6.041000      0.3241000       6.041000 0.3241000                  ?              ?              ?              ?
  1 1 1      -6  -21   15 o    6.547000      0.2488000       6.892000 0.3451000       6.203000      0.3586000      0.6882000      0.4977000
  1 1 1      -6  -21   16 o    10.36000      0.3188000                  ?       ?   10.36000      0.3188000                  ?              ?
  1 1 1      -6  -21   17 o    6.109000      0.2680000       5.856000 0.3816000       6.361000      0.3764000     -0.5059000      0.5360000
  1 1 1      -6  -21   18 o    5.228000      0.3074000       5.552000 0.4013000       4.904000      0.4657000      0.6482000      0.6148000
  1 1 1      -6  -21   19 o    7.293000      0.2547000       7.048000 0.3574000       7.538000      0.3628000     -0.4908000      0.5093000
  1 1 1      -6  -21   20 o    10.47000      0.2472000       10.45000 0.3445000       10.49000      0.3546000     -0.3660000E-01  0.4944000
  1 1 1      -6  -21   21 o    3.975000      0.4573000       4.702000 0.5059000       3.248000      0.7620000       1.454000      0.9147000
  1 1 1      -6  -21   22 o    5.185000      0.3608000       5.760000 0.4333000       4.610000      0.5771000       1.151000      0.7216000
  1 1 1      -6  -21   23 o    2.061000      0.5551000       1.597000 0.7041000       2.526000      0.8583000     -0.9294000       1.110000
  1 1 1      -6  -21   24 o    3.093000      0.5860000       2.995000 0.8084000       3.191000      0.8486000     -0.1957000       1.172000
  1 1 1      -6  -21   25 o    4.899000      0.4351000       4.243000 0.6420000       5.555000      0.5876000      -1.313000      0.8703000
  1 1 1      -6  -21   26 o    3.038000      0.5736000       3.831000 0.7261000       2.246000      0.8882000       1.585000       1.147000
  1 1 1      -6  -21   27 o    3.106000      0.6267000       2.843000 0.8687000       3.368000      0.9036000     -0.5250000       1.253000
  1 1 1      -6  -21   28 o    2.404000      0.6101000       2.747000 0.8602000       2.060000      0.8655000      0.6868000       1.220000
  1 1 1      -6  -21   29 o    2.530000      0.6199000       2.509000 0.8396000       2.551000      0.9122000     -0.4191000E-01   1.240000
  1 1 1      -6  -21   30 o    1.919000      0.6382000       1.846000 0.8840000       1.991000      0.9206000     -0.1456000       1.276000
  1 1 1      -6  -21   31 o    2.028000      0.6195000       2.027000 0.8339000       2.029000      0.9165000     -0.2364000E-02   1.239000
  1 1 1      -6  -20    1 o    10.46000      0.2820000       11.03000 0.4248000       9.885000      0.3710000       1.143000      0.5640000
  1 1 1      -6  -20    2 o    4.902000      0.3522000       5.269000 0.5423000       4.535000      0.4494000      0.7341000      0.7044000
  1 1 1      -6  -20    3 o    4.735000      0.2816000       4.386000 0.4366000       5.084000      0.3557000     -0.6974000      0.5632000
  1 1 1      -6  -20    4 o    3.219000      0.3186000       3.633000 0.3886000       2.805000      0.5051000      0.8284000      0.6373000
  1 1 1      -6  -20    5 o    2.444000      0.3988000       2.039000 0.5914000       2.848000      0.5350000     -0.8094000      0.7975000
  1 1 1      -6  -20    6 o    3.944000      0.2873000       3.898000 0.3911000       3.989000      0.4210000     -0.9074000E-01  0.5746000
  1 1 1      -6  -20    7 o    2.966000      0.3642000       2.472000 0.5142000       3.459000      0.5160000     -0.9874000      0.7284000
  1 1 1      -6  -20    8 o    5.407000      0.2432000       5.188000 0.3190000       5.625000      0.3673000     -0.4371000      0.4865000
  1 1 1      -6  -20    9 o    3.538000      0.2914000       3.270000 0.4137000       3.805000      0.4103000     -0.5349000      0.5827000
  1 1 1      -6  -20   10 o    3.497000      0.3182000       3.613000 0.4142000       3.382000      0.4830000      0.2308000      0.6363000
  1 1 1      -6  -20   11 o    8.116000      0.2037000       8.060000 0.2873000       8.172000      0.2888000     -0.1119000      0.4073000
  1 1 1      -6  -20   12 o    4.355000      0.2716000       4.572000 0.3600000       4.138000      0.4068000      0.4334000      0.5433000
  1 1 1      -6  -20   13 o    8.776000      0.2075000       8.607000 0.2944000       8.944000      0.2926000     -0.3366000      0.4151000
  1 1 1      -6  -20   14 o    4.089000      0.3109000       3.776000 0.4476000       4.401000      0.4317000     -0.6251000      0.6218000
  1 1 1      -6  -20   15 o    9.990000      0.2181000       9.986000 0.3074000       9.994000      0.3094000     -0.7789000E-02  0.4362000
  1 1 1      -6  -20   16 o    4.348000      0.3449000       3.944000 0.5127000       4.753000      0.4614000     -0.8090000      0.6897000
  1 1 1      -6  -20   17 o    3.908000      0.3887000       3.974000 0.5274000       3.842000      0.5713000      0.1317000      0.7775000
  1 1 1      -6  -20   18 o    2.023000      0.5251000       1.950000 0.7298000       2.096000      0.7553000     -0.1455000       1.050000
  1 1 1      -6  -20   19 o    6.926000      0.2653000       7.242000 0.3517000       6.609000      0.3972000      0.6325000      0.5306000
  1 1 1      -6  -20   20 o    6.752000      0.2820000       6.032000 0.4093000       7.472000      0.3880000      -1.441000      0.5640000
  1 1 1      -6  -20   21 o    6.186000      0.3018000       6.334000 0.4057000       6.038000      0.4469000      0.2961000      0.6036000
  1 1 1      -6  -20   22 o    10.72000      0.2509000       10.71000 0.3499000       10.73000      0.3596000     -0.2238000E-01  0.5018000
  1 1 1      -6  -20   23 o    1.781000      0.5056000       2.258000 0.7927000       1.303000      0.6278000      0.9551000       1.011000
  1 1 1      -6  -20   24 o    3.956000      0.4600000       3.924000 0.6093000       3.987000      0.6893000     -0.6309000E-01  0.9200000
  1 1 1      -6  -20   25 o    3.974000      0.4885000       3.931000 0.6710000       4.017000      0.7102000     -0.8556000E-01  0.9771000
  1 1 1      -6  -20   26 o    4.534000      0.4796000       5.107000 0.5341000       3.961000      0.7968000       1.147000      0.9592000
  1 1 1      -6  -20   27 o    4.913000      0.4390000       4.570000 0.6289000       5.256000      0.6126000     -0.6860000      0.8780000
  1 1 1      -6  -20   28 o    4.685000      0.4684000       4.842000 0.5768000       4.528000      0.7381000      0.3146000      0.9367000
  1 1 1      -6  -20   29 o    2.000000      0.5927000       1.742000 0.7766000       2.258000      0.8956000     -0.5157000       1.185000
  1 1 1      -6  -20   30 o    2.771000      0.6210000       3.369000 0.8644000       2.174000      0.8917000       1.195000       1.242000
  1 1 1      -6  -20   31 o    2.512000      0.7144000       2.273000 0.9958000       2.751000       1.025000     -0.4777000       1.429000
  1 1 1      -6  -20   32 o    3.484000       1.185000       3.484000 1.185000                  ?              ?              ?              ?
  1 1 1      -6  -19    1 o    6.132000      0.2443000       6.159000 0.3721000       6.106000      0.3166000      0.5314000E-01  0.4886000
  1 1 1      -6  -19    2 o    4.629000      0.1868000       4.682000 0.2882000       4.576000      0.2378000      0.1056000      0.3737000
  1 1 1      -6  -19    3 o    4.108000      0.2149000       4.350000 0.3101000       3.866000      0.2977000      0.4844000      0.4299000
  1 1 1      -6  -19    4 o    1.474000      0.3811000       1.782000 0.5814000       1.165000      0.4928000      0.6171000      0.7622000
  1 1 1      -6  -19    5 o    3.943000      0.2140000       3.594000 0.3223000       4.293000      0.2815000     -0.6986000      0.4280000
  1 1 1      -6  -19    6 o    5.144000      0.1939000       5.040000 0.2765000       5.248000      0.2718000     -0.2088000      0.3878000
  1 1 1      -6  -19    7 o    11.76000      0.1964000       11.86000 0.2811000       11.67000      0.2744000      0.1855000      0.3929000
  1 1 1      -6  -19    8 o    14.18000      0.2215000       14.40000 0.3180000       13.96000      0.3084000      0.4463000      0.4430000
  1 1 1      -6  -19    9 o    10.59000      0.2354000       10.35000 0.2726000       10.83000      0.3839000     -0.4794000      0.4708000
  1 1 1      -6  -19   10 o    5.706000      0.2676000       5.602000 0.3361000       5.809000      0.4165000     -0.2068000      0.5352000
  1 1 1      -6  -19   11 o    5.161000      0.2809000       5.416000 0.3405000       4.905000      0.4469000      0.5110000      0.5618000
  1 1 1      -6  -19   12 o    1.692000      0.4742000       1.041000 0.5010000       2.343000      0.8052000      -1.302000      0.9484000
  1 1 1      -6  -19   13 o    5.880000      0.2282000       5.868000 0.3140000       5.893000      0.3311000     -0.2519000E-01  0.4563000
  1 1 1      -6  -19   14 o    6.530000      0.2310000       6.732000 0.3159000       6.328000      0.3372000      0.4037000      0.4621000
  1 1 1      -6  -19   15 o    7.026000      0.2351000       7.379000 0.3213000       6.674000      0.3434000      0.7055000      0.4703000
  1 1 1      -6  -19   16 o    3.356000      0.4115000       2.805000 0.6343000       3.907000      0.5244000      -1.102000      0.8230000
  1 1 1      -6  -19   17 o    1.704000      0.4715000       1.228000 0.5740000       2.179000      0.7483000     -0.9511000      0.9431000
  1 1 1      -6  -19   18 o    6.951000      0.2493000       6.995000 0.3444000       6.906000      0.3606000      0.8892000E-01  0.4986000
  1 1 1      -6  -19   19 o    2.982000      0.4676000       3.546000 0.5549000       2.418000      0.7527000       1.128000      0.9351000
  1 1 1      -6  -19   20 o    7.569000      0.2508000       7.568000 0.3494000       7.571000      0.3598000     -0.3515000E-02  0.5015000
  1 1 1      -6  -19   21 o    7.965000      0.2546000       7.793000 0.3560000       8.138000      0.3642000     -0.3453000      0.5093000
  1 1 1      -6  -19   22 o    5.616000      0.3131000       5.576000 0.4296000       5.656000      0.4556000     -0.7952000E-01  0.6262000
  1 1 1      -6  -19   23 o    7.102000      0.2839000       6.968000 0.3942000       7.236000      0.4087000     -0.2675000      0.5679000
  1 1 1      -6  -19   24 o    2.274000      0.5878000       2.330000 0.8054000       2.218000      0.8563000      0.1122000       1.176000
  1 1 1      -6  -19   25 o    1.418000      0.4694000       1.270000 0.5987000       1.567000      0.7231000     -0.2964000      0.9388000
  1 1 1      -6  -19   26 o    3.875000      0.5048000       4.433000 0.5595000       3.318000      0.8404000       1.115000       1.010000
  1 1 1      -6  -19   27 o    3.985000      0.5445000       4.663000 0.5975000       3.306000      0.9103000       1.357000       1.089000
  1 1 1      -6  -19   28 o    2.246000      0.6175000       2.184000 0.8434000       2.308000      0.9021000     -0.1240000       1.235000
  1 1 1      -6  -19   29 o    2.482000      0.6316000       2.249000 0.8634000       2.715000      0.9220000     -0.4656000       1.263000
  1 1 1      -6  -19   30 o    3.195000      0.6276000       2.825000 0.8826000       3.566000      0.8924000     -0.7410000       1.255000
  1 1 1      -6  -19   31 o    3.134000      0.6232000       2.429000 0.9056000       3.840000      0.8564000      -1.412000       1.246000
  1 1 1      -6  -19   32 o    2.607000      0.6492000       2.263000 0.8814000       2.950000      0.9533000     -0.6871000       1.298000
  1 1 1      -6  -18    1 o    1.668000      0.3721000       1.398000 0.5540000       1.938000      0.4968000     -0.5405000      0.7441000
  1 1 1      -6  -18    2 o    5.872000      0.1719000       5.814000 0.2562000       5.929000      0.2293000     -0.1149000      0.3439000
  1 1 1      -6  -18    3 o    8.848000      0.1671000       9.101000 0.2446000       8.594000      0.2278000      0.5067000      0.3342000
  1 1 1      -6  -18    4 o    4.649000      0.3067000       5.174000 0.4597000       4.125000      0.4062000       1.049000      0.6135000
  1 1 1      -6  -18    5 o    2.792000      0.4494000       2.212000 0.7653000       3.372000      0.4714000      -1.159000      0.8989000
  1 1 1      -6  -18    6 f    5.043000      0.3177000       5.376000 0.4709000       4.710000      0.4264000      0.6653000      0.6353000
  1 1 1      -6  -18    7 o    8.140000      0.2860000       8.021000 0.4340000       8.258000      0.3725000     -0.2365000      0.5720000
  1 1 1      -6  -18    8 o    4.710000      0.3560000       4.940000 0.5578000       4.480000      0.4426000      0.4591000      0.7120000
  1 1 1      -6  -18    9 o    3.014000      0.3579000       2.603000 0.4546000       3.425000      0.5528000     -0.8217000      0.7157000
  1 1 1      -6  -18   10 o    10.14000      0.1957000       10.04000 0.2779000       10.24000      0.2757000     -0.1921000      0.3915000
  1 1 1      -6  -18   11 o    3.580000      0.2943000       3.434000 0.4291000       3.725000      0.4029000     -0.2904000      0.5886000
  1 1 1      -6  -18   12 o    5.972000      0.2261000       5.906000 0.3142000       6.037000      0.3252000     -0.1310000      0.4522000
  1 1 1      -6  -18   13 o    3.935000      0.3741000       3.454000 0.4599000       4.415000      0.5902000     -0.9606000      0.7482000
  1 1 1      -6  -18   14 o    5.868000      0.3132000       5.745000 0.3848000       5.991000      0.4943000     -0.2466000      0.6264000
  1 1 1      -6  -18   15 o    8.395000      0.3760000       8.395000 0.3760000                  ?              ?              ?              ?
  1 1 1      -6  -18   16 o    8.149000      0.2264000       7.985000 0.3174000       8.314000      0.3228000     -0.3288000      0.4527000
  1 1 1      -6  -18   17 o    13.13000      0.3372000                  ?       ?   13.13000      0.3372000                  ?              ?
  1 1 1      -6  -18   18 f    1.385000      0.4314000       1.026000 0.4988000       1.745000      0.7041000     -0.7191000      0.8629000
  1 1 1      -6  -18   19 o    4.378000      0.3335000       4.286000 0.4613000       4.471000      0.4816000     -0.1846000      0.6669000
  1 1 1      -6  -18   20 o    8.208000      0.2394000       8.294000 0.3360000       8.123000      0.3410000      0.1710000      0.4787000
  1 1 1      -6  -18   21 o    4.147000      0.4040000       4.569000 0.4965000       3.725000      0.6374000      0.8436000      0.8080000
  1 1 1      -6  -18   22 o    2.222000      0.5254000       2.771000 0.7588000       1.673000      0.7271000       1.098000       1.051000
  1 1 1      -6  -18   23 o    2.724000      0.5525000       2.947000 0.7388000       2.500000      0.8216000      0.4472000       1.105000
  1 1 1      -6  -18   24 o    2.476000      0.5777000       2.646000 0.7795000       2.305000      0.8529000      0.3411000       1.155000
  1 1 1      -6  -18   25 o    4.042000      0.4423000       3.768000 0.6243000       4.315000      0.6266000     -0.5468000      0.8845000
  1 1 1      -6  -18   26 o    5.014000      0.4054000       5.279000 0.5157000       4.749000      0.6256000      0.5303000      0.8108000
  1 1 1      -6  -18   27 o    5.200000      0.4074000       5.292000 0.5101000       5.108000      0.6354000      0.1841000      0.8148000
  1 1 1      -6  -18   28 o    4.524000      0.4645000       4.466000 0.6155000       4.582000      0.6959000     -0.1164000      0.9291000
  1 1 1      -6  -18   29 o    7.379000      0.3420000       7.180000 0.4725000       7.578000      0.4946000     -0.3982000      0.6841000
  1 1 1      -6  -18   30 o    2.219000      0.6187000       2.368000 0.8705000       2.070000      0.8794000      0.2982000       1.237000
  1 1 1      -6  -18   31 o    2.246000      0.6186000       2.501000 0.8904000       1.990000      0.8589000      0.5101000       1.237000
  1 1 1      -6  -18   32 o    4.697000      0.4910000       4.884000 0.6482000       4.511000      0.7377000      0.3732000      0.9820000
  1 1 1      -6  -18   33 o    1.872000      0.5816000       1.743000 0.7852000       2.001000      0.8581000     -0.2580000       1.163000
  1 1 1      -6  -17    1 o    12.98000      0.1976000       12.68000 0.2773000       13.27000      0.2815000     -0.5880000      0.3952000
  1 1 1      -6  -17    2 o    6.551000      0.1622000       6.511000 0.2388000       6.592000      0.2196000     -0.8114000E-01  0.3244000
  1 1 1      -6  -17    3 o    7.660000      0.1604000       7.717000 0.2309000       7.603000      0.2226000      0.1145000      0.3208000
  1 1 1      -6  -17    4 f    3.480000      0.2272000       3.206000 0.3311000       3.755000      0.3113000     -0.5494000      0.4545000
  1 1 1      -6  -17    5 o    7.241000      0.1685000       7.514000 0.2426000       6.968000      0.2339000      0.5459000      0.3370000
  1 1 1      -6  -17    6 o    2.250000      0.3685000       2.485000 0.4656000       2.014000      0.5714000      0.4709000      0.7371000
  1 1 1      -6  -17    7 o    5.686000      0.1980000       5.607000 0.2779000       5.765000      0.2821000     -0.1575000      0.3960000
  1 1 1      -6  -17    8 o    4.114000      0.2319000       4.327000 0.3060000       3.902000      0.3486000      0.4246000      0.4638000
  1 1 1      -6  -17    9 o    4.925000      0.2137000       4.761000 0.3026000       5.089000      0.3017000     -0.3275000      0.4273000
  1 1 1      -6  -17   10 o    7.503000      0.2978000       7.611000 0.4568000       7.396000      0.3822000      0.2144000      0.5956000
  1 1 1      -6  -17   11 f    4.575000      0.4342000       4.415000 0.7184000       4.735000      0.4877000     -0.3198000      0.8683000
  1 1 1      -6  -17   12 o    6.666000      0.3228000       7.307000 0.4818000       6.025000      0.4296000       1.281000      0.6455000
  1 1 1      -6  -17   13 o    9.659000      0.2072000       9.611000 0.2936000       9.706000      0.2925000     -0.9507000E-01  0.4145000
  1 1 1      -6  -17   14 o    5.113000      0.2590000       5.058000 0.3643000       5.168000      0.3681000     -0.1094000      0.5179000
  1 1 1      -6  -17   15 o    10.64000      0.3159000       10.64000 0.3159000                  ?              ?              ?              ?
  1 1 1      -6  -17   16 o    6.771000      0.3053000       6.712000 0.3755000       6.829000      0.4815000     -0.1174000      0.6106000
  1 1 1      -6  -17   17 o    6.866000      0.5162000                  ?       ?   6.866000      0.5162000                  ?              ?
  1 1 1      -6  -17   18 o    10.15000      0.3096000       10.28000 0.4121000       10.01000      0.4623000      0.2634000      0.6193000
  1 1 1      -6  -17   19 o    5.021000      0.3234000       5.493000 0.4127000       4.550000      0.4979000      0.9429000      0.6468000
  1 1 1      -6  -17   20 o    11.36000      0.2386000       11.36000 0.3399000       11.36000      0.3348000     -0.5855000E-02  0.4771000
  1 1 1      -6  -17   21 o    6.317000      0.2836000       6.490000 0.3902000       6.145000      0.4116000      0.3446000      0.5672000
  1 1 1      -6  -17   22 o    5.355000      0.3201000       5.292000 0.4454000       5.418000      0.4600000     -0.1258000      0.6402000
  1 1 1      -6  -17   23 o    5.660000      0.3235000       6.059000 0.4078000       5.262000      0.5023000      0.7970000      0.6470000
  1 1 1      -6  -17   24 o    5.522000      0.3362000       5.174000 0.4647000       5.870000      0.4859000     -0.6955000      0.6724000
  1 1 1      -6  -17   25 o    1.866000      0.5455000       1.679000 0.7260000       2.052000      0.8142000     -0.3734000       1.091000
  1 1 1      -6  -17   26 o    6.004000      0.3377000       6.010000 0.4646000       5.998000      0.4903000      0.1257000E-01  0.6755000
  1 1 1      -6  -17   27 o    4.793000      0.4291000       4.429000 0.6042000       5.157000      0.6095000     -0.7281000      0.8582000
  1 1 1      -6  -17   28 o    2.909000      0.6094000       2.324000 0.8370000       3.493000      0.8860000      -1.169000       1.219000
  1 1 1      -6  -17   29 f    7.393000      0.3303000       7.175000 0.4586000       7.611000      0.4754000     -0.4360000      0.6606000
  1 1 1      -6  -17   30 o    7.103000      0.3323000       6.840000 0.4746000       7.365000      0.4652000     -0.5257000      0.6646000
  1 1 1      -6  -17   31 o    2.086000      0.5981000       1.858000 0.8054000       2.314000      0.8844000     -0.4559000       1.196000
  1 1 1      -6  -17   32 o    3.610000      0.5920000       3.457000 0.8449000       3.762000      0.8295000     -0.3046000       1.184000
  1 1 1      -6  -17   33 o    2.037000      0.5974000       1.819000 0.8020000       2.256000      0.8855000     -0.4376000       1.195000
  1 1 1      -6  -16    1 o    9.234000      0.1608000       9.258000 0.2318000       9.210000      0.2229000      0.4787000E-01  0.3215000
  1 1 1      -6  -16    2 o    12.23000      0.1883000       12.22000 0.2691000       12.23000      0.2635000     -0.9695000E-02  0.3766000
  1 1 1      -6  -16    3 o    11.08000      0.1781000       11.02000 0.2534000       11.14000      0.2503000     -0.1233000      0.3562000
  1 1 1      -6  -16    4 o    4.615000      0.1884000       4.457000 0.2706000       4.772000      0.2623000     -0.3145000      0.3769000
  1 1 1      -6  -16    5 o    3.893000      0.2268000       3.984000 0.3097000       3.803000      0.3314000      0.1810000      0.4536000
  1 1 1      -6  -16    6 o    8.802000      0.1760000       8.902000 0.2478000       8.702000      0.2498000      0.2004000      0.3519000
  1 1 1      -6  -16    7 o    6.025000      0.1902000       5.984000 0.2740000       6.067000      0.2638000     -0.8363000E-01  0.3804000
  1 1 1      -6  -16    8 f    6.805000      0.1916000       6.782000 0.2757000       6.827000      0.2662000     -0.4452000E-01  0.3832000
  1 1 1      -6  -16    9 o    5.462000      0.2131000       5.300000 0.3019000       5.625000      0.3009000     -0.3257000      0.4263000
  1 1 1      -6  -16   10 o    4.068000      0.2621000       3.961000 0.3676000       4.175000      0.3738000     -0.2138000      0.5243000
  1 1 1      -6  -16   11 o    2.420000      0.3954000       2.952000 0.4805000       1.888000      0.6281000       1.064000      0.7908000
  1 1 1      -6  -16   12 o    12.46000      0.2155000       12.30000 0.3044000       12.62000      0.3052000     -0.3232000      0.4310000
  1 1 1      -6  -16   13 o    12.51000      0.3211000       13.19000 0.4822000       11.83000      0.4242000       1.361000      0.6423000
  1 1 1      -6  -16   14 o    7.648000      0.3390000       7.835000 0.5257000       7.461000      0.4281000      0.3744000      0.6780000
  1 1 1      -6  -16   15 o    6.569000      0.3788000       6.490000 0.5995000       6.647000      0.4631000     -0.1572000      0.7576000
  1 1 1      -6  -16   16 o    4.769000      0.2765000       4.639000 0.3913000       4.898000      0.3907000     -0.2589000      0.5530000
  1 1 1      -6  -16   17 o    3.678000      0.3803000       3.564000 0.5441000       3.792000      0.5316000     -0.2274000      0.7607000
  1 1 1      -6  -16   18 o    8.733000      0.2804000       8.436000 0.3128000       9.031000      0.4655000     -0.5945000      0.5608000
  1 1 1      -6  -16   19 o    3.724000      0.5306000       3.633000 0.6584000       3.815000      0.8323000     -0.1813000       1.061000
  1 1 1      -6  -16   20 o    7.425000      0.3308000       6.968000 0.4271000       7.883000      0.5052000     -0.9149000      0.6616000
  1 1 1      -6  -16   21 o    3.375000      0.4452000       3.554000 0.5787000       3.195000      0.6768000      0.3591000      0.8905000
  1 1 1      -6  -16   22 o    5.580000      0.3061000       5.423000 0.4298000       5.736000      0.4359000     -0.3131000      0.6121000
  1 1 1      -6  -16   23 o    5.599000      0.3124000       5.156000 0.4541000       6.042000      0.4292000     -0.8862000      0.6248000
  1 1 1      -6  -16   24 o    1.937000      0.5412000       1.717000 0.7129000       2.157000      0.8145000     -0.4398000       1.082000
  1 1 1      -6  -16   25 o    4.100000      0.4562000       4.153000 0.5903000       4.048000      0.6957000      0.1046000      0.9124000
  1 1 1      -6  -16   26 o    7.651000      0.2971000       8.066000 0.3886000       7.236000      0.4494000      0.8299000      0.5941000
  1 1 1      -6  -16   27 o    5.239000      0.4106000       5.424000 0.5244000       5.054000      0.6319000      0.3701000      0.8211000
  1 1 1      -6  -16   28 o    3.415000      0.5539000       3.987000 0.6512000       2.843000      0.8962000       1.144000       1.108000
  1 1 1      -6  -16   29 o    1.920000      0.5775000       2.034000 0.8286000       1.805000      0.8047000      0.2287000       1.155000
  1 1 1      -6  -16   30 o    8.840000      0.3067000       9.095000 0.4127000       8.585000      0.4540000      0.5104000      0.6135000
  1 1 1      -6  -16   31 o    4.820000      0.4883000       5.223000 0.6194000       4.418000      0.7549000      0.8056000      0.9765000
  1 1 1      -6  -16   32 o    1.706000      0.5460000       1.824000 0.8041000       1.589000      0.7387000      0.2349000       1.092000
  1 1 1      -6  -16   33 o    3.057000      0.6408000       3.495000 0.8882000       2.619000      0.9238000      0.8767000       1.282000
  1 1 1      -6  -16   34 o    3.746000      0.5738000       4.346000 0.6785000       3.145000      0.9255000       1.201000       1.148000
  1 1 1      -6  -15    1 o    8.435000      0.1518000       8.600000 0.2226000       8.270000      0.2065000      0.3305000      0.3037000
  1 1 1      -6  -15    2 o    5.354000      0.1587000       5.426000 0.2256000       5.283000      0.2234000      0.1434000      0.3175000
  1 1 1      -6  -15    3 o    4.965000      0.1702000       5.057000 0.2390000       4.874000      0.2425000      0.1839000      0.3405000
  1 1 1      -6  -15    4 o    4.313000      0.1972000       4.286000 0.2863000       4.341000      0.2713000     -0.5496000E-01  0.3944000
  1 1 1      -6  -15    5 o    4.404000      0.1956000       4.554000 0.2646000       4.255000      0.2881000      0.2992000      0.3912000
  1 1 1      -6  -15    6 o    2.880000      0.2944000       3.105000 0.3827000       2.655000      0.4475000      0.4504000      0.5888000
  1 1 1      -6  -15    7 o    18.88000      0.2715000       18.83000 0.3840000       18.92000      0.3839000     -0.9557000E-01  0.5430000
  1 1 1      -6  -15    8 o    14.81000      0.2272000       14.78000 0.3218000       14.83000      0.3208000     -0.4901000E-01  0.4544000
  1 1 1      -6  -15    9 o    9.768000      0.1906000       9.634000 0.2682000       9.901000      0.2709000     -0.2669000      0.3812000
  1 1 1      -6  -15   10 o    9.822000      0.1956000       9.901000 0.2747000       9.742000      0.2784000      0.1591000      0.3911000
  1 1 1      -6  -15   11 o    2.517000      0.3930000       2.360000 0.5622000       2.675000      0.5493000     -0.3142000      0.7860000
  1 1 1      -6  -15   12 o    4.996000      0.2422000       5.059000 0.3373000       4.933000      0.3477000      0.1264000      0.4845000
  1 1 1      -6  -15   13 o    8.242000      0.2023000       8.078000 0.2885000       8.405000      0.2837000     -0.3275000      0.4046000
  1 1 1      -6  -15   14 o    8.563000      0.2091000       8.615000 0.2914000       8.510000      0.3000000      0.1048000      0.4182000
  1 1 1      -6  -15   15 o    2.540000      0.6145000       3.152000 0.9493000       1.927000      0.7806000       1.225000       1.229000
  1 1 1      -6  -15   16 o    4.069000      0.5501000       3.468000 0.9405000       4.671000      0.5708000      -1.203000       1.100000
  1 1 1      -6  -15   17 o    5.332000      0.4308000       5.259000 0.6759000       5.406000      0.5344000     -0.1473000      0.8617000
  1 1 1      -6  -15   18 f    6.141000      0.2674000       5.763000 0.3880000       6.519000      0.3681000     -0.7563000      0.5349000
  1 1 1      -6  -15   19 o    9.187000      0.2343000       9.269000 0.3300000       9.104000      0.3328000      0.1653000      0.4687000
  1 1 1      -6  -15   20 o    11.40000      0.3200000       10.79000 0.4229000       12.02000      0.4804000      -1.226000      0.6400000
  1 1 1      -6  -15   21 o    3.964000      0.5299000       4.400000 0.5633000       3.527000      0.8976000      0.8733000       1.060000
  1 1 1      -6  -15   22 o    6.220000      0.2910000       6.757000 0.3828000       5.683000      0.4382000       1.074000      0.5819000
  1 1 1      -6  -15   23 o    7.279000      0.2774000       6.868000 0.4017000       7.690000      0.3826000     -0.8220000      0.5548000
  1 1 1      -6  -15   24 o    7.453000      0.2686000       7.409000 0.3727000       7.497000      0.3869000     -0.8776000E-01  0.5372000
  1 1 1      -6  -15   25 o    6.402000      0.3146000       5.975000 0.4556000       6.829000      0.4339000     -0.8537000      0.6291000
  1 1 1      -6  -15   26 o    2.745000      0.5913000       2.485000 0.8229000       3.005000      0.8493000     -0.5201000       1.183000
  1 1 1      -6  -15   27 o    2.727000      0.5402000       3.482000 0.7078000       1.973000      0.8163000       1.508000       1.080000
  1 1 1      -6  -15   28 o    2.647000      0.6255000       2.699000 0.8763000       2.595000      0.8929000      0.1039000       1.251000
  1 1 1      -6  -15   29 o    4.116000      0.5150000       3.735000 0.7388000       4.497000      0.7177000     -0.7619000       1.030000
  1 1 1      -6  -15   30 o    5.068000      0.4496000       4.778000 0.6345000       5.357000      0.6372000     -0.5793000      0.8992000
  1 1 1      -6  -15   31 o    5.776000      0.4258000       5.846000 0.6152000       5.706000      0.5888000      0.1406000      0.8516000
  1 1 1      -6  -15   32 o    2.523000      0.6467000       2.314000 0.8921000       2.732000      0.9364000     -0.4183000       1.293000
  1 1 1      -6  -15   33 o    4.324000      0.5255000       4.603000 0.6902000       4.045000      0.7925000      0.5587000       1.051000
  1 1 1      -6  -15   34 o    2.363000      0.6313000       2.217000 0.8772000       2.509000      0.9081000     -0.2913000       1.263000
  1 1 1      -6  -14    1 o    6.640000      0.1460000       6.617000 0.2099000       6.663000      0.2030000     -0.4559000E-01  0.2921000
  1 1 1      -6  -14    2 o    12.04000      0.1856000       12.33000 0.2670000       11.75000      0.2580000      0.5801000      0.3713000
  1 1 1      -6  -14    3 o    4.222000      0.1842000       4.212000 0.2541000       4.232000      0.2668000     -0.1985000E-01  0.3685000
  1 1 1      -6  -14    4 o    19.17000      0.2709000       19.18000 0.3833000       19.16000      0.3831000      0.2256000E-01  0.5419000
  1 1 1      -6  -14    5 o    8.262000      0.1682000       8.197000 0.2367000       8.327000      0.2390000     -0.1293000      0.3364000
  1 1 1      -6  -14    6 o    11.24000      0.1887000       11.04000 0.2656000       11.44000      0.2683000     -0.4015000      0.3775000
  1 1 1      -6  -14    7 o    8.532000      0.1792000       8.602000 0.2532000       8.462000      0.2536000      0.1404000      0.3584000
  1 1 1      -6  -14    8 o    6.920000      0.1813000       7.238000 0.2537000       6.602000      0.2590000      0.6355000      0.3626000
  1 1 1      -6  -14    9 o    4.598000      0.2267000       4.767000 0.3131000       4.428000      0.3280000      0.3387000      0.4535000
  1 1 1      -6  -14   10 o    9.172000      0.1911000       9.177000 0.2724000       9.167000      0.2682000      0.9912000E-02  0.3823000
  1 1 1      -6  -14   11 o    2.968000      0.3524000       3.178000 0.4651000       2.758000      0.5296000      0.4207000      0.7048000
  1 1 1      -6  -14   12 o    3.957000      0.2894000       4.061000 0.3958000       3.852000      0.4223000      0.2088000      0.5788000
  1 1 1      -6  -14   13 o    5.543000      0.2229000       5.719000 0.3016000       5.367000      0.3283000      0.3519000      0.4458000
  1 1 1      -6  -14   14 o    9.847000      0.2071000       10.25000 0.2945000       9.448000      0.2913000      0.7991000      0.4142000
  1 1 1      -6  -14   15 o    2.997000      0.4118000       2.738000 0.6109000       3.257000      0.5522000     -0.5189000      0.8235000
  1 1 1      -6  -14   16 o    1.993000      0.6834000       1.993000 0.6834000                  ?              ?              ?              ?
  1 1 1      -6  -14   17 o    4.433000      0.5202000       4.999000 0.7726000       3.868000      0.6968000       1.131000       1.040000
  1 1 1      -6  -14   18 o    1.283000      0.6228000                  ?       ?   1.283000      0.6228000                  ?              ?
  1 1 1      -6  -14   19 o    1.806000      0.5017000       1.829000 0.7125000       1.783000      0.7065000      0.4603000E-01   1.003000
  1 1 1      -6  -14   20 o    9.628000      0.2350000       9.796000 0.3336000       9.459000      0.3310000      0.3373000      0.4700000
  1 1 1      -6  -14   21 o    7.708000      0.2845000       7.912000 0.4338000       7.503000      0.3681000      0.4092000      0.5689000
  1 1 1      -6  -14   22 o    13.58000      0.3434000       13.73000 0.4697000       13.43000      0.5010000      0.3067000      0.6867000
  1 1 1      -6  -14   23 o    2.216000      0.5618000       2.421000 0.8276000       2.012000      0.7598000      0.4090000       1.124000
  1 1 1      -6  -14   24 o    9.206000      0.2490000       8.748000 0.3511000       9.664000      0.3531000     -0.9161000      0.4980000
  1 1 1      -6  -14   25 o    8.564000      0.2725000       8.601000 0.3731000       8.527000      0.3973000      0.7366000E-01  0.5450000
  1 1 1      -6  -14   26 o    6.479000      0.3098000       6.693000 0.4097000       6.264000      0.4648000      0.4286000      0.6196000
  1 1 1      -6  -14   27 o    2.611000      0.5535000       1.884000 0.7886000       3.337000      0.7769000      -1.454000       1.107000
  1 1 1      -6  -14   28 o    5.522000      0.3689000       5.728000 0.5024000       5.315000      0.5404000      0.4127000      0.7379000
  1 1 1      -6  -14   29 o    4.735000      0.4531000       4.837000 0.6138000       4.634000      0.6666000      0.2036000      0.9061000
  1 1 1      -6  -14   30 o    2.228000      0.6272000       2.212000 0.8619000       2.244000      0.9115000     -0.3194000E-01   1.254000
  1 1 1      -6  -14   31 o    4.856000      0.4724000       5.158000 0.5815000       4.553000      0.7446000      0.6052000      0.9448000
  1 1 1      -6  -14   32 o    5.216000      0.4537000       4.997000 0.6708000       5.435000      0.6110000     -0.4379000      0.9074000
  1 1 1      -6  -14   33 o    6.029000      0.3931000       5.725000 0.5842000       6.334000      0.5262000     -0.6094000      0.7863000
  1 1 1      -6  -14   34 o    3.016000      0.6505000       2.799000 0.8994000       3.233000      0.9400000     -0.4339000       1.301000
  1 1 1      -6  -14   35 o    2.626000      0.6362000       2.263000 0.8885000       2.989000      0.9109000     -0.7261000       1.272000
  1 1 1      -6  -13    1 o    17.99000      0.2520000       18.04000 0.3579000       17.94000      0.3549000      0.9946000E-01  0.5040000
  1 1 1      -6  -13    2 o    7.850000      0.1527000       7.969000 0.2172000       7.731000      0.2148000      0.2381000      0.3055000
  1 1 1      -6  -13    3 o    16.26000      0.2342000       16.44000 0.3346000       16.08000      0.3278000      0.3563000      0.4684000
  1 1 1      -6  -13    4 o    16.21000      0.2358000       16.29000 0.3352000       16.13000      0.3317000      0.1684000      0.4716000
  1 1 1      -6  -13    5 o    22.25000      0.3106000       22.31000 0.4405000       22.19000      0.4380000      0.1224000      0.6212000
  1 1 1      -6  -13    6 o    12.37000      0.1978000       12.25000 0.2776000       12.48000      0.2819000     -0.2269000      0.3957000
  1 1 1      -6  -13    7 f    21.74000      0.3062000       21.80000 0.4343000       21.68000      0.4318000      0.1218000      0.6124000
  1 1 1      -6  -13    8 o    13.09000      0.2086000       13.36000 0.2991000       12.82000      0.2909000      0.5446000      0.4172000
  1 1 1      -6  -13    9 o    11.20000      0.1975000       11.25000 0.2802000       11.15000      0.2785000      0.9652000E-01  0.3950000
  1 1 1      -6  -13   10 o    9.782000      0.1921000       9.887000 0.2749000       9.677000      0.2685000      0.2096000      0.3842000
  1 1 1      -6  -13   11 o    15.12000      0.2367000       15.36000 0.3382000       14.89000      0.3313000      0.4711000      0.4735000
  1 1 1      -6  -13   12 o    9.534000      0.1993000       9.464000 0.2806000       9.605000      0.2831000     -0.1412000      0.3986000
  1 1 1      -6  -13   13 o    7.905000      0.2036000       7.806000 0.2855000       8.003000      0.2903000     -0.1977000      0.4072000
  1 1 1      -6  -13   14 o    7.505000      0.2072000       7.528000 0.2942000       7.483000      0.2919000      0.4497000E-01  0.4144000
  1 1 1      -6  -13   15 o    8.813000      0.2101000       8.914000 0.2932000       8.713000      0.3009000      0.2015000      0.4202000
  1 1 1      -6  -13   16 o    3.225000      0.5433000       3.225000 0.5433000                  ?              ?              ?              ?
  1 1 1      -6  -13   17 f    4.522000      0.4580000       4.779000 0.7857000       4.265000      0.4710000      0.5139000      0.9161000
  1 1 1      -6  -13   18 o    6.319000      0.3556000                  ?       ?   6.319000      0.3556000                  ?              ?
  1 1 1      -6  -13   19 o    4.256000      0.5313000       4.973000 0.7498000       3.538000      0.7529000       1.435000       1.063000
  1 1 1      -6  -13   20 o    8.709000      0.3633000       8.792000 0.5636000       8.627000      0.4587000      0.1643000      0.7267000
  1 1 1      -6  -13   21 o    4.952000      0.3343000       4.435000 0.5049000       5.469000      0.4382000      -1.034000      0.6685000
  1 1 1      -6  -13   22 o    6.449000      0.2863000       5.740000 0.4265000       7.158000      0.3822000      -1.418000      0.5727000
  1 1 1      -6  -13   23 o    16.85000      0.3848000       17.18000 0.5401000       16.53000      0.5483000      0.6471000      0.7696000
  1 1 1      -6  -13   24 o    10.03000      0.3412000       10.50000 0.4421000       9.565000      0.5198000      0.9328000      0.6824000
  1 1 1      -6  -13   25 o    2.562000      0.5623000       2.321000 0.7940000       2.803000      0.7964000     -0.4823000       1.125000
  1 1 1      -6  -13   26 o    7.465000      0.2865000       7.503000 0.3942000       7.428000      0.4158000      0.7550000E-01  0.5729000
  1 1 1      -6  -13   27 o    4.974000      0.4054000       5.411000 0.5190000       4.536000      0.6229000      0.8756000      0.8108000
  1 1 1      -6  -13   28 f    1.606000      0.5142000       1.703000 0.7509000       1.509000      0.7026000      0.1950000       1.028000
  1 1 1      -6  -13   29 o    2.688000      0.6107000       2.348000 0.8434000       3.028000      0.8834000     -0.6802000       1.221000
  1 1 1      -6  -13   30 o    3.234000      0.6408000       3.013000 0.8839000       3.456000      0.9281000     -0.4432000       1.282000
  1 1 1      -6  -13   31 o    3.768000      0.5927000       3.442000 0.8401000       4.093000      0.8362000     -0.6512000       1.185000
  1 1 1      -6  -13   32 o    2.468000      0.6428000       2.096000 0.8703000       2.841000      0.9464000     -0.7454000       1.286000
  1 1 1      -6  -13   33 o    5.127000      0.4756000       6.001000 0.5792000       4.254000      0.7544000       1.747000      0.9511000
  1 1 1      -6  -13   34 o    4.357000      0.5251000       4.214000 0.7665000       4.500000      0.7179000     -0.2850000       1.050000
  1 1 1      -6  -13   35 o    1.657000      0.5361000       1.431000 0.6823000       1.883000      0.8270000     -0.4517000       1.072000
  1 1 1      -6  -12    1 o    17.13000      0.2418000       16.85000 0.3373000       17.41000      0.3464000     -0.5567000      0.4835000
  1 1 1      -6  -12    2 o    7.927000      0.1545000       8.004000 0.2191000       7.849000      0.2178000      0.1552000      0.3090000
  1 1 1      -6  -12    3 o    20.40000      0.2853000       20.55000 0.4060000       20.25000      0.4011000      0.2932000      0.5707000
  1 1 1      -6  -12    4 o    16.14000      0.2347000       16.08000 0.3311000       16.20000      0.3326000     -0.1194000      0.4693000
  1 1 1      -6  -12    5 o    8.934000      0.2211000       9.178000 0.3736000       8.689000      0.2364000      0.4891000      0.4421000
  1 1 1      -6  -12    6 o    6.494000      0.2097000       6.928000 0.2382000       6.061000      0.3451000      0.8678000      0.4193000
  1 1 1      -6  -12    7 o    9.235000      0.1776000       9.222000 0.2488000       9.249000      0.2536000     -0.2710000E-01  0.3552000
  1 1 1      -6  -12    8 o    5.004000      0.2072000       4.910000 0.2924000       5.098000      0.2936000     -0.1881000      0.4144000
  1 1 1      -6  -12    9 f    14.36000      0.2235000       14.41000 0.3170000       14.32000      0.3153000      0.9121000E-01  0.4471000
  1 1 1      -6  -12   10 o    1.295000      0.3916000       1.166000 0.5215000       1.424000      0.5843000     -0.2573000      0.7832000
  1 1 1      -6  -12   11 o    7.923000      0.1955000       7.996000 0.2749000       7.851000      0.2781000      0.1444000      0.3910000
  1 1 1      -6  -12   12 o    3.177000      0.3413000       2.989000 0.5016000       3.366000      0.4631000     -0.3773000      0.6827000
  1 1 1      -6  -12   13 o    5.362000      0.2362000       5.471000 0.3242000       5.252000      0.3435000      0.2191000      0.4724000
  1 1 1      -6  -12   14 o    5.867000      0.2250000       5.818000 0.3142000       5.916000      0.3222000     -0.9869000E-01  0.4500000
  1 1 1      -6  -12   15 o    7.924000      0.2137000       7.869000 0.3017000       7.978000      0.3028000     -0.1088000      0.4275000
  1 1 1      -6  -12   16 o    8.000000      0.2144000       7.924000 0.3044000       8.075000      0.3021000     -0.1514000      0.4289000
  1 1 1      -6  -12   17 o    6.777000      0.2350000       6.764000 0.3288000       6.789000      0.3359000     -0.2502000E-01  0.4700000
  1 1 1      -6  -12   18 o    12.04000      0.2307000       11.84000 0.3225000       12.25000      0.3299000     -0.4059000      0.4613000
  1 1 1      -6  -12   19 o    9.782000      0.2271000       9.618000 0.3246000       9.945000      0.3177000     -0.3269000      0.4542000
  1 1 1      -6  -12   20 f    4.680000      0.5415000       4.720000 0.8299000       4.639000      0.6958000      0.8121000E-01   1.083000
  1 1 1      -6  -12   21 o    2.862000      0.6508000       3.464000 0.9770000       2.261000      0.8599000       1.203000       1.302000
  1 1 1      -6  -12   22 o    12.47000      0.2451000       12.37000 0.3403000       12.56000      0.3528000     -0.1916000      0.4902000
  1 1 1      -6  -12   23 o    21.54000      0.3255000       21.41000 0.4601000       21.67000      0.4607000     -0.2618000      0.6511000
  1 1 1      -6  -12   24 f    2.620000      0.6012000       3.246000 0.8338000       1.993000      0.8663000       1.253000       1.202000
  1 1 1      -6  -12   25 o    2.474000      0.6493000       2.457000 0.8679000       2.491000      0.9659000     -0.3432000E-01   1.299000
  1 1 1      -6  -12   26 o    1.702000      0.5128000       1.404000 0.6550000       2.001000      0.7892000     -0.5966000       1.026000
  1 1 1      -6  -12   27 o    7.183000      0.3056000       7.624000 0.4126000       6.742000      0.4509000      0.8826000      0.6112000
  1 1 1      -6  -12   28 o    3.682000      0.5434000       3.570000 0.7833000       3.794000      0.7534000     -0.2240000       1.087000
  1 1 1      -6  -12   29 o    3.638000      0.5528000       3.638000 0.7555000       3.639000      0.8072000     -0.1057000E-02   1.106000
  1 1 1      -6  -12   30 o    2.546000      0.6407000       2.735000 0.8837000       2.357000      0.9279000      0.3778000       1.281000
  1 1 1      -6  -12   31 o    4.668000      0.4824000       4.145000 0.7246000       5.191000      0.6371000      -1.046000      0.9649000
  1 1 1      -6  -12   32 o    6.028000      0.3934000       5.923000 0.5574000       6.133000      0.5552000     -0.2097000      0.7867000
  1 1 1      -6  -12   33 o    3.460000      0.6216000       3.093000 0.9147000       3.826000      0.8419000     -0.7329000       1.243000
  1 1 1      -6  -12   34 o    2.928000      0.6303000       2.547000 0.9237000       3.309000      0.8579000     -0.7620000       1.261000
  1 1 1      -6  -12   35 o    2.240000      0.6161000       2.478000 0.8972000       2.003000      0.8446000      0.4748000       1.232000
  1 1 1      -6  -12   36 o    3.216000      0.6202000       3.684000 0.8175000       2.749000      0.9328000      0.9356000       1.240000
  1 1 1      -6  -11    1 o    15.67000      0.3150000       14.92000 0.4249000       16.41000      0.4651000      -1.486000      0.6300000
  1 1 1      -6  -11    2 o    21.43000      0.4191000       22.03000 0.6069000       20.84000      0.5781000       1.191000      0.8382000
  1 1 1      -6  -11    3 o    17.13000      0.2449000       17.11000 0.3463000       17.14000      0.3463000     -0.3879000E-01  0.4897000
  1 1 1      -6  -11    4 o    11.63000      0.1862000       11.86000 0.2661000       11.40000      0.2605000      0.4524000      0.3724000
  1 1 1      -6  -11    5 o    6.665000      0.1669000       6.907000 0.2335000       6.423000      0.2386000      0.4840000      0.3339000
  1 1 1      -6  -11    6 o    7.898000      0.1693000       7.770000 0.2388000       8.026000      0.2399000     -0.2563000      0.3385000
  1 1 1      -6  -11    7 o    16.16000      0.2388000       16.26000 0.3390000       16.06000      0.3364000      0.2015000      0.4776000
  1 1 1      -6  -11    8 o    12.02000      0.1990000       12.19000 0.2833000       11.85000      0.2795000      0.3391000      0.3979000
  1 1 1      -6  -11    9 o    9.235000      0.1861000       9.453000 0.2645000       9.018000      0.2619000      0.4345000      0.3722000
  1 1 1      -6  -11   10 o    6.675000      0.1901000       6.948000 0.2626000       6.403000      0.2751000      0.5451000      0.3803000
  1 1 1      -6  -11   11 o    8.493000      0.1871000       8.544000 0.2606000       8.441000      0.2686000      0.1024000      0.3742000
  1 1 1      -6  -11   12 o    5.164000      0.2223000       5.369000 0.2971000       4.959000      0.3307000      0.4097000      0.4445000
  1 1 1      -6  -11   13 o    8.117000      0.1997000       7.741000 0.2833000       8.493000      0.2815000     -0.7521000      0.3994000
  1 1 1      -6  -11   14 o    4.418000      0.2737000       4.509000 0.3752000       4.327000      0.3985000      0.1819000      0.5473000
  1 1 1      -6  -11   15 o    4.105000      0.2972000       3.835000 0.4337000       4.375000      0.4066000     -0.5394000      0.5945000
  1 1 1      -6  -11   16 o    8.245000      0.2120000       8.021000 0.3004000       8.470000      0.2993000     -0.4493000      0.4240000
  1 1 1      -6  -11   17 o    2.251000      0.4189000       3.304000 0.6231000       1.198000      0.5599000       2.107000      0.8377000
  1 1 1      -6  -11   18 f    13.12000      0.2365000       13.06000 0.3345000       13.19000      0.3345000     -0.1272000      0.4731000
  1 1 1      -6  -11   19 o    4.705000      0.3219000       5.076000 0.4229000       4.334000      0.4855000      0.7415000      0.6438000
  1 1 1      -6  -11   20 o    3.121000      0.4519000       3.203000 0.6227000       3.038000      0.6550000      0.1652000      0.9038000
  1 1 1      -6  -11   21 o    6.738000      0.3935000       6.981000 0.6037000       6.496000      0.5050000      0.4853000      0.7870000
  1 1 1      -6  -11   22 o    6.048000      0.4288000       6.369000 0.6566000       5.728000      0.5517000      0.6410000      0.8576000
  1 1 1      -6  -11   23 o    7.074000      0.2710000       7.047000 0.3807000       7.101000      0.3858000     -0.5325000E-01  0.5420000
  1 1 1      -6  -11   24 o    10.31000      0.2484000       10.56000 0.3551000       10.07000      0.3473000      0.4851000      0.4967000
  1 1 1      -6  -11   25 o    6.168000      0.4179000       6.167000 0.5330000       6.169000      0.6439000     -0.2385000E-02  0.8358000
  1 1 1      -6  -11   26 o    7.421000      0.2847000       7.586000 0.3962000       7.256000      0.4088000      0.3302000      0.5693000
  1 1 1      -6  -11   27 o    6.336000      0.3167000       6.273000 0.4425000       6.399000      0.4531000     -0.1264000      0.6334000
  1 1 1      -6  -11   28 o    2.203000      0.5987000       2.149000 0.8281000       2.257000      0.8648000     -0.1072000       1.197000
  1 1 1      -6  -11   29 o    2.385000      0.6742000       2.244000 0.8634000       2.526000       1.036000     -0.2820000       1.348000
  1 1 1      -6  -11   30 o    4.193000      0.5128000       3.874000 0.7648000       4.511000      0.6833000     -0.6371000       1.026000
  1 1 1      -6  -11   31 o    2.261000      0.6154000       2.595000 0.9068000       1.927000      0.8322000      0.6679000       1.231000
  1 1 1      -6  -11   32 o    2.409000      0.5954000       1.708000 0.7737000       3.109000      0.9051000      -1.400000       1.191000
  1 1 1      -6  -11   33 f    2.156000      0.6114000       2.506000 0.9190000       1.805000      0.8066000      0.7008000       1.223000
  1 1 1      -6  -11   34 o    1.723000      0.5523000       1.886000 0.8333000       1.559000      0.7251000      0.3270000       1.105000
  1 1 1      -6  -11   35 o    1.930000      0.5616000       2.428000 0.8899000       1.433000      0.6852000      0.9950000       1.123000
  1 1 1      -6  -11   36 o    2.657000      0.6232000       2.400000 0.8832000       2.914000      0.8796000     -0.5144000       1.246000
  1 1 1      -6  -10    1 o    19.65000      0.2737000       19.26000 0.3803000       20.05000      0.3938000     -0.7938000      0.5474000
  1 1 1      -6  -10    2 o    21.74000      0.3007000       21.36000 0.4189000       22.13000      0.4316000     -0.7680000      0.6014000
  1 1 1      -6  -10    3 o    7.820000      0.2160000       7.875000 0.2947000       7.765000      0.3158000      0.1095000      0.4320000
  1 1 1      -6  -10    4 o    15.46000      0.3189000       15.15000 0.4404000       15.76000      0.4614000     -0.6140000      0.6378000
  1 1 1      -6  -10    5 o    6.239000      0.2271000       6.203000 0.3008000       6.276000      0.3402000     -0.7250000E-01  0.4541000
  1 1 1      -6  -10    6 f    32.33000      0.4399000       32.45000 0.6243000       32.21000      0.6199000      0.2375000      0.8798000
  1 1 1      -6  -10    7 f    17.26000      0.2514000       17.27000 0.3558000       17.24000      0.3552000      0.2722000E-01  0.5028000
  1 1 1      -6  -10    8 o    24.12000      0.3360000       24.23000 0.4770000       24.00000      0.4734000      0.2331000      0.6720000
  1 1 1      -6  -10    9 o    28.48000      0.3928000       28.98000 0.5642000       27.97000      0.5465000       1.007000      0.7855000
  1 1 1      -6  -10   10 o    7.265000      0.1853000       7.120000 0.2599000       7.410000      0.2641000     -0.2908000      0.3705000
  1 1 1      -6  -10   11 o    9.720000      0.1887000       9.709000 0.2652000       9.730000      0.2685000     -0.2075000E-01  0.3774000
  1 1 1      -6  -10   12 o    14.69000      0.2318000       14.50000 0.3251000       14.88000      0.3305000     -0.3851000      0.4636000
  1 1 1      -6  -10   13 o    10.10000      0.2009000       10.31000 0.2859000       9.890000      0.2825000      0.4160000      0.4019000
  1 1 1      -6  -10   14 o    9.149000      0.1987000       8.687000 0.2784000       9.612000      0.2836000     -0.9247000      0.3974000
  1 1 1      -6  -10   15 o    3.634000      0.3272000       3.938000 0.4148000       3.331000      0.5062000      0.6066000      0.6544000
  1 1 1      -6  -10   16 o    14.97000      0.3015000       14.53000 0.3353000       15.41000      0.5012000     -0.8778000      0.6031000
  1 1 1      -6  -10   17 o    9.902000      0.2107000       10.20000 0.3090000       9.600000      0.2865000      0.6050000      0.4213000
  1 1 1      -6  -10   18 o    8.720000      0.2199000       8.887000 0.3075000       8.553000      0.3145000      0.3331000      0.4399000
  1 1 1      -6  -10   19 o    6.980000      0.2408000       6.474000 0.3449000       7.487000      0.3362000      -1.013000      0.4817000
  1 1 1      -6  -10   20 o    10.34000      0.2298000       10.19000 0.3306000       10.48000      0.3194000     -0.2890000      0.4596000
  1 1 1      -6  -10   21 o    9.047000      0.2312000       9.035000 0.3227000       9.058000      0.3311000     -0.2312000E-01  0.4624000
  1 1 1      -6  -10   22 o    8.900000      0.3518000       8.888000 0.5371000       8.911000      0.4544000     -0.2315000E-01  0.7036000
  1 1 1      -6  -10   23 o    3.470000      0.6471000       4.206000 0.9258000       2.733000      0.9043000       1.473000       1.294000
  1 1 1      -6  -10   24 o    11.82000      0.2463000       11.84000 0.3509000       11.80000      0.3456000      0.4200000E-01  0.4926000
  1 1 1      -6  -10   25 o    6.246000      0.4211000       6.135000 0.5620000       6.357000      0.6273000     -0.2219000      0.8422000
  1 1 1      -6  -10   26 o    9.511000      0.3512000       8.852000 0.4657000       10.17000      0.5259000      -1.317000      0.7025000
  1 1 1      -6  -10   27 o    2.336000      0.5628000       2.801000 0.8122000       1.871000      0.7794000      0.9304000       1.126000
  1 1 1      -6  -10   28 o    10.08000      0.2678000       10.42000 0.3743000       9.738000      0.3830000      0.6850000      0.5355000
  1 1 1      -6  -10   29 o    3.835000      0.5192000       3.776000 0.7119000       3.895000      0.7559000     -0.1193000       1.038000
  1 1 1      -6  -10   30 o    10.27000      0.2747000       10.64000 0.3822000       9.888000      0.3947000      0.7573000      0.5494000
  1 1 1      -6  -10   31 o    6.998000      0.3405000       7.392000 0.4561000       6.604000      0.5056000      0.7888000      0.6810000
  1 1 1      -6  -10   32 o    3.975000      0.5671000       3.695000 0.8186000       4.254000      0.7851000     -0.5590000       1.134000
  1 1 1      -6  -10   33 o    5.445000      0.4306000       5.075000 0.6487000       5.815000      0.5664000     -0.7401000      0.8612000
  1 1 1      -6  -10   34 o    3.602000      0.5936000       4.334000 0.7731000       2.870000      0.9011000       1.465000       1.187000
  1 1 1      -6  -10   35 o    2.951000      0.6365000       2.819000 0.9219000       3.084000      0.8779000     -0.2645000       1.273000
  1 1 1      -6  -10   36 o    2.356000      0.6216000       2.110000 0.8614000       2.602000      0.8963000     -0.4920000       1.243000
  1 1 1      -6   -9    1 o    16.79000      0.3373000       16.59000 0.4749000       16.98000      0.4792000     -0.3960000      0.6746000
  1 1 1      -6   -9    2 f    20.65000      0.2864000       20.54000 0.4033000       20.76000      0.4066000     -0.2221000      0.5727000
  1 1 1      -6   -9    3 o    23.45000      0.3231000       23.36000 0.4554000       23.55000      0.4585000     -0.1929000      0.6462000
  1 1 1      -6   -9    4 o    40.79000      0.5493000       41.02000 0.7810000       40.57000      0.7727000      0.4485000       1.099000
  1 1 1      -6   -9    5 o    23.65000      0.3999000       23.73000 0.4625000       23.56000      0.6525000      0.1687000      0.7998000
  1 1 1      -6   -9    6 o    11.02000      0.2580000       10.88000 0.3565000       11.17000      0.3731000     -0.2988000      0.5160000
  1 1 1      -6   -9    7 o    26.80000      0.5209000       26.99000 0.7407000       26.60000      0.7325000      0.3954000       1.042000
  1 1 1      -6   -9    8 o    2.999000      0.2773000       3.397000 0.3344000       2.602000      0.4424000      0.7948000      0.5546000
  1 1 1      -6   -9    9 o    8.680000      0.1805000       8.510000 0.2530000       8.851000      0.2576000     -0.3408000      0.3611000
  1 1 1      -6   -9   10 o    25.30000      0.3529000       25.50000 0.5026000       25.10000      0.4955000      0.3921000      0.7058000
  1 1 1      -6   -9   11 o    15.14000      0.2328000       15.45000 0.3345000       14.83000      0.3239000      0.6215000      0.4656000
  1 1 1      -6   -9   12 o    7.935000      0.1907000       8.194000 0.2680000       7.676000      0.2715000      0.5181000      0.3815000
  1 1 1      -6   -9   13 o    4.555000      0.2538000       4.433000 0.3650000       4.678000      0.3526000     -0.2444000      0.5075000
  1 1 1      -6   -9   14 o    7.219000      0.1992000       7.063000 0.2791000       7.375000      0.2844000     -0.3119000      0.3985000
  1 1 1      -6   -9   15 o    2.281000      0.4452000       2.052000 0.6478000       2.511000      0.6108000     -0.4596000      0.8903000
  1 1 1      -6   -9   16 o    11.65000      0.2165000       11.93000 0.3072000       11.37000      0.3051000      0.5588000      0.4330000
  1 1 1      -6   -9   17 o    7.166000      0.3218000       7.166000 0.3218000                  ?              ?              ?              ?
  1 1 1      -6   -9   18 o    6.455000      0.2388000       6.446000 0.3346000       6.463000      0.3407000     -0.1680000E-01  0.4776000
  1 1 1      -6   -9   19 o    5.245000      0.4091000                  ?       ?   5.245000      0.4091000                  ?              ?
  1 1 1      -6   -9   20 f    5.341000      0.2825000       5.586000 0.3923000       5.095000      0.4067000      0.4913000      0.5650000
  1 1 1      -6   -9   21 o    5.915000      0.3698000       5.930000 0.6308000       5.901000      0.3860000      0.2915000E-01  0.7395000
  1 1 1      -6   -9   22 f    3.255000      0.5966000       3.283000 0.9731000       3.228000      0.6904000      0.5447000E-01   1.193000
  1 1 1      -6   -9   23 o    4.832000      0.5210000       4.614000 0.8221000       5.050000      0.6402000     -0.4361000       1.042000
  1 1 1      -6   -9   24 f    15.52000      0.2679000       16.13000 0.3875000       14.91000      0.3700000       1.224000      0.5358000
  1 1 1      -6   -9   25 f    6.575000      0.2871000       6.787000 0.3966000       6.364000      0.4154000      0.4229000      0.5743000
  1 1 1      -6   -9   26 o    4.236000      0.5769000       4.350000 0.7001000       4.121000      0.9171000      0.2283000       1.154000
  1 1 1      -6   -9   27 o    2.302000      0.5794000       2.111000 0.8021000       2.493000      0.8364000     -0.3822000       1.159000
  1 1 1      -6   -9   28 f    1.577000      0.5022000       1.836000 0.7760000       1.318000      0.6376000      0.5175000       1.004000
  1 1 1      -6   -9   29 o    9.181000      0.2852000       9.115000 0.4000000       9.248000      0.4067000     -0.1327000      0.5704000
  1 1 1      -6   -9   30 o    10.81000      0.2761000       10.51000 0.3866000       11.11000      0.3942000     -0.6042000      0.5521000
  1 1 1      -6   -9   31 o    3.958000      0.5395000       3.412000 0.8197000       4.504000      0.7016000      -1.092000       1.079000
  1 1 1      -6   -9   32 o    2.468000      0.6137000       2.870000 0.8774000       2.066000      0.8582000      0.8046000       1.227000
  1 1 1      -6   -9   33 o    2.186000      0.6112000       2.389000 0.8869000       1.983000      0.8412000      0.4061000       1.222000
  1 1 1      -6   -9   34 o    4.852000      0.4639000       4.681000 0.6886000       5.024000      0.6217000     -0.3430000      0.9277000
  1 1 1      -6   -9   35 o    3.261000      0.5998000       3.929000 0.7947000       2.594000      0.8985000       1.336000       1.200000
  1 1 1      -6   -9   36 o    3.283000      0.6037000       2.849000 0.8943000       3.718000      0.8111000     -0.8698000       1.207000
  1 1 1      -6   -8    1 o    18.60000      0.2599000       18.51000 0.3665000       18.70000      0.3685000     -0.1849000      0.5197000
  1 1 1      -6   -8    2 o    2.656000      0.3028000       3.244000 0.4180000       2.067000      0.4382000       1.177000      0.6055000
  1 1 1      -6   -8    3 o    19.75000      0.3914000       20.07000 0.5634000       19.43000      0.5435000      0.6374000      0.7828000
  1 1 1      -6   -8    4 o    19.22000      0.3831000       19.63000 0.5526000       18.82000      0.5309000      0.8083000      0.7663000
  1 1 1      -6   -8    5 o    18.27000      0.2599000       18.25000 0.3673000       18.29000      0.3679000     -0.3838000E-01  0.5199000
  1 1 1      -6   -8    6 f    13.86000      0.2105000       13.93000 0.2988000       13.80000      0.2965000      0.1233000      0.4210000
  1 1 1      -6   -8    7 o    18.34000      0.3708000       18.45000 0.5256000       18.23000      0.5233000      0.2153000      0.7417000
  1 1 1      -6   -8    8 o    8.806000      0.2412000       8.675000 0.3320000       8.938000      0.3501000     -0.2633000      0.4825000
  1 1 1      -6   -8    9 o    12.84000      0.2065000       12.85000 0.2922000       12.82000      0.2920000      0.2402000E-01  0.4131000
  1 1 1      -6   -8   10 o    13.42000      0.2145000       13.53000 0.3048000       13.32000      0.3018000      0.2035000      0.4290000
  1 1 1      -6   -8   11 o    14.04000      0.2220000       13.98000 0.3136000       14.10000      0.3142000     -0.1221000      0.4439000
  1 1 1      -6   -8   12 o    9.869000      0.1913000       9.814000 0.2720000       9.923000      0.2690000     -0.1099000      0.3826000
  1 1 1      -6   -8   13 o    5.162000      0.2243000       5.050000 0.3213000       5.274000      0.3132000     -0.2246000      0.4487000
  1 1 1      -6   -8   14 o    9.094000      0.1945000       8.845000 0.2716000       9.343000      0.2784000     -0.4983000      0.3889000
  1 1 1      -6   -8   15 o    1.526000      0.4350000       1.537000 0.6126000       1.515000      0.6179000      0.2235000E-01  0.8701000
  1 1 1      -6   -8   16 o    4.429000      0.2731000       4.593000 0.3707000       4.264000      0.4011000      0.3285000      0.5462000
  1 1 1      -6   -8   17 o    4.985000      0.3111000       4.872000 0.3845000       5.097000      0.4891000     -0.2247000      0.6221000
  1 1 1      -6   -8   18 o    11.11000      0.2203000       11.61000 0.3151000       10.60000      0.3080000       1.012000      0.4406000
  1 1 1      -6   -8   19 o    7.554000      0.3277000                  ?       ?   7.554000      0.3277000                  ?              ?
  1 1 1      -6   -8   20 o    10.61000      0.2265000       10.59000 0.3240000       10.63000      0.3166000     -0.3369000E-01  0.4530000
  1 1 1      -6   -8   21 o    5.239000      0.2905000       4.858000 0.4221000       5.620000      0.3993000     -0.7615000      0.5810000
  1 1 1      -6   -8   22 o    8.548000      0.2420000       8.470000 0.3453000       8.626000      0.3392000     -0.1562000      0.4840000
  1 1 1      -6   -8   24 o    18.92000      0.4246000       19.08000 0.6132000       18.76000      0.5874000      0.3216000      0.8492000
  1 1 1      -6   -8   25 o    9.586000      0.2478000       9.338000 0.3528000       9.835000      0.3481000     -0.4975000      0.4956000
  1 1 1      -6   -8   26 o    10.20000      0.3547000       10.54000 0.4690000       9.865000      0.5321000      0.6745000      0.7093000
  1 1 1      -6   -8   27 o    10.94000      0.3630000       11.22000 0.4800000       10.66000      0.5446000      0.5651000      0.7259000
  1 1 1      -6   -8   28 o    2.135000      0.5752000       2.227000 0.8162000       2.043000      0.8106000      0.1839000       1.150000
  1 1 1      -6   -8   29 o    11.26000      0.2681000       11.26000 0.3766000       11.25000      0.3817000      0.8041000E-02  0.5362000
  1 1 1      -6   -8   30 o    2.609000      0.5619000       3.323000 0.7812000       1.895000      0.8079000       1.429000       1.124000
  1 1 1      -6   -8   31 o    3.650000      0.5616000       3.919000 0.7422000       3.380000      0.8431000      0.5390000       1.123000
  1 1 1      -6   -8   32 o    3.712000      0.5766000       2.987000 0.8904000       4.436000      0.7328000      -1.449000       1.153000
  1 1 1      -6   -8   33 o    4.729000      0.4973000       5.228000 0.6082000       4.230000      0.7871000      0.9981000      0.9947000
  1 1 1      -6   -8   34 o    2.550000      0.6454000       2.334000 0.8997000       2.766000      0.9255000     -0.4322000       1.291000
  1 1 1      -6   -8   35 o    4.037000      0.5529000       3.685000 0.8519000       4.390000      0.7050000     -0.7055000       1.106000
  1 1 1      -6   -8   36 o    1.664000      0.5323000       1.389000 0.6708000       1.939000      0.8267000     -0.5506000       1.065000
  1 1 1      -6   -8   37 o    2.613000      0.6251000       2.537000 0.8804000       2.689000      0.8877000     -0.1523000       1.250000
  1 1 1      -6   -7    1 o    22.70000      0.3115000       22.88000 0.4440000       22.53000      0.4370000      0.3420000      0.6230000
  1 1 1      -6   -7    2 o    22.75000      0.3127000       22.34000 0.4351000       23.16000      0.4492000     -0.8189000      0.6254000
  1 1 1      -6   -7    3 o    4.535000      0.1608000       4.620000 0.2289000       4.450000      0.2259000      0.1703000      0.3216000
  1 1 1      -6   -7    5 o    5.783000      0.2179000       6.266000 0.3100000       5.301000      0.3064000      0.9655000      0.4358000
  1 1 1      -6   -7    6 o    14.79000      0.2196000       15.03000 0.3141000       14.56000      0.3070000      0.4781000      0.4392000
  1 1 1      -6   -7    7 o    15.98000      0.2345000       15.98000 0.3317000       15.97000      0.3315000      0.1052000E-01  0.4690000
  1 1 1      -6   -7    8 o    14.98000      0.3180000       15.49000 0.4579000       14.48000      0.4414000       1.007000      0.6361000
  1 1 1      -6   -7    9 o    19.31000      0.3897000       19.67000 0.5583000       18.95000      0.5438000      0.7168000      0.7793000
  1 1 1      -6   -7   10 o    6.537000      0.1817000       6.725000 0.2574000       6.349000      0.2566000      0.3762000      0.3635000
  1 1 1      -6   -7   11 o    8.515000      0.1784000       8.311000 0.2511000       8.719000      0.2535000     -0.4079000      0.3568000
  1 1 1      -6   -7   12 o    13.48000      0.2170000       13.46000 0.3059000       13.50000      0.3080000     -0.4050000E-01  0.4341000
  1 1 1      -6   -7   13 o    10.29000      0.1953000       9.855000 0.2728000       10.72000      0.2795000     -0.8696000      0.3906000
  1 1 1      -6   -7   14 o    2.970000      0.3465000       2.755000 0.5142000       3.185000      0.4647000     -0.4303000      0.6931000
  1 1 1      -6   -7   15 o    8.397000      0.1961000       8.569000 0.2790000       8.225000      0.2756000      0.3441000      0.3921000
  1 1 1      -6   -7   16 o    3.852000      0.2988000       3.838000 0.4203000       3.866000      0.4248000     -0.2785000E-01  0.5976000
  1 1 1      -6   -7   17 o    5.926000      0.2378000       5.971000 0.3296000       5.881000      0.3428000      0.9035000E-01  0.4755000
  1 1 1      -6   -7   18 o    10.66000      0.2179000       11.04000 0.3104000       10.28000      0.3060000      0.7645000      0.4359000
  1 1 1      -6   -7   19 f    3.339000      0.3910000       3.180000 0.5663000       3.498000      0.5392000     -0.3182000      0.7819000
  1 1 1      -6   -7   20 o    5.328000      0.2789000       5.149000 0.4045000       5.507000      0.3842000     -0.3587000      0.5579000
  1 1 1      -6   -7   21 o    9.347000      0.2263000       9.383000 0.3218000       9.310000      0.3182000      0.7263000E-01  0.4526000
  1 1 1      -6   -7   22 o    2.121000      0.4817000       2.710000 0.6929000       1.531000      0.6694000       1.178000      0.9634000
  1 1 1      -6   -7   23 o    5.133000      0.4830000       4.906000 0.7427000       5.361000      0.6177000     -0.4552000      0.9660000
  1 1 1      -6   -7   24 f    5.465000      0.4459000       5.601000 0.6762000       5.329000      0.5815000      0.2718000      0.8919000
  1 1 1      -6   -7   25 o    18.39000      0.2933000       18.35000 0.4167000       18.43000      0.4129000     -0.8292000E-01  0.5866000
  1 1 1      -6   -7   26 o    10.65000      0.2483000       9.873000 0.3534000       11.43000      0.3489000      -1.554000      0.4966000
  1 1 1      -6   -7   27 o    3.415000      0.6227000       3.849000 0.7871000       2.980000      0.9650000      0.8689000       1.245000
  1 1 1      -6   -7   28 o    4.080000      0.4613000       4.066000 0.6474000       4.095000      0.6573000     -0.2974000E-01  0.9226000
  1 1 1      -6   -7   29 o    2.710000      0.5966000       2.940000 0.8322000       2.481000      0.8552000      0.4589000       1.193000
  1 1 1      -6   -7   30 o    3.828000      0.5241000       3.989000 0.6921000       3.667000      0.7873000      0.3220000       1.048000
  1 1 1      -6   -7   31 o    2.210000      0.6043000       1.947000 0.8088000       2.474000      0.8981000     -0.5266000       1.209000
  1 1 1      -6   -7   32 o    4.756000      0.4821000       5.000000 0.6311000       4.512000      0.7290000      0.4879000      0.9643000
  1 1 1      -6   -7   33 o    5.101000      0.4635000       5.257000 0.6251000       4.945000      0.6845000      0.3122000      0.9270000
  1 1 1      -6   -7   34 o    2.749000      0.6572000       2.366000 0.9157000       3.132000      0.9430000     -0.7659000       1.314000
  1 1 1      -6   -7   35 o    5.533000      0.4100000       5.403000 0.6062000       5.663000      0.5523000     -0.2603000      0.8201000
  1 1 1      -6   -7   36 o    2.098000      0.6011000       2.258000 0.8753000       1.938000      0.8240000      0.3205000       1.202000
  1 1 1      -6   -7   37 o    2.310000      0.6142000       2.242000 0.8690000       2.378000      0.8682000     -0.1357000       1.228000
  1 1 1      -6   -6    1 o    18.09000      0.2520000       18.25000 0.3592000       17.93000      0.3534000      0.3200000      0.5039000
  1 1 1      -6   -6    2 o    22.45000      0.3083000       21.90000 0.4258000       22.99000      0.4458000      -1.093000      0.6165000
  1 1 1      -6   -6    3 o    6.050000      0.1406000       5.899000 0.2008000       6.202000      0.1970000     -0.3023000      0.2813000
  1 1 1      -6   -6    4 o    4.913000      0.1538000       5.041000 0.2120000       4.786000      0.2228000      0.2546000      0.3076000
  1 1 1      -6   -6    5 o    12.20000      0.2323000       11.93000 0.2619000       12.48000      0.3837000     -0.5507000      0.4645000
  1 1 1      -6   -6    6 o    19.19000      0.3834000       19.35000 0.5466000       19.02000      0.5378000      0.3281000      0.7668000
  1 1 1      -6   -6    7 o    21.58000      0.3017000       21.48000 0.4247000       21.67000      0.4285000     -0.1923000      0.6033000
  1 1 1      -6   -6    8 o    10.80000      0.1817000       10.86000 0.2594000       10.75000      0.2545000      0.1079000      0.3635000
  1 1 1      -6   -6    9 o    27.20000      0.5291000       27.06000 0.7438000       27.34000      0.7527000     -0.2792000       1.058000
  1 1 1      -6   -6   10 o    9.895000      0.2538000       9.837000 0.3528000       9.952000      0.3650000     -0.1143000      0.5077000
  1 1 1      -6   -6   11 o    12.46000      0.2043000       12.66000 0.2910000       12.27000      0.2870000      0.3973000      0.4087000
  1 1 1      -6   -6   12 o    13.68000      0.2179000       13.43000 0.3039000       13.93000      0.3123000     -0.4926000      0.4358000
  1 1 1      -6   -6   13 o    13.24000      0.2166000       13.63000 0.3102000       12.86000      0.3023000      0.7740000      0.4331000
  1 1 1      -6   -6   14 o    6.583000      0.2016000       6.811000 0.2802000       6.356000      0.2900000      0.4552000      0.4032000
  1 1 1      -6   -6   15 o    7.422000      0.2001000       7.880000 0.2768000       6.963000      0.2890000      0.9169000      0.4002000
  1 1 1      -6   -6   16 o    8.534000      0.2005000       8.799000 0.2788000       8.270000      0.2883000      0.5289000      0.4010000
  1 1 1      -6   -6   17 o    2.109000      0.4570000       1.897000 0.6465000       2.320000      0.6460000     -0.4236000      0.9140000
  1 1 1      -6   -6   18 o    4.414000      0.2927000       4.498000 0.4006000       4.329000      0.4269000      0.1686000      0.5855000
  1 1 1      -6   -6   19 o    2.669000      0.4679000       2.708000 0.6598000       2.629000      0.6636000      0.7909000E-01  0.9358000
  1 1 1      -6   -6   20 o    5.442000      0.2789000       4.990000 0.4205000       5.895000      0.3664000     -0.9052000      0.5577000
  1 1 1      -6   -6   21 o    8.690000      0.2282000       8.580000 0.3257000       8.800000      0.3196000     -0.2204000      0.4563000
  1 1 1      -6   -6   22 o    4.404000      0.3429000       4.487000 0.4780000       4.321000      0.4916000      0.1656000      0.6857000
  1 1 1      -6   -6   23 o    5.360000      0.3092000       5.317000 0.4332000       5.403000      0.4413000     -0.8612000E-01  0.6184000
  1 1 1      -6   -6   24 o    9.292000      0.3469000       9.299000 0.5134000       9.286000      0.4666000      0.1367000E-01  0.6937000
  1 1 1      -6   -6   25 o    18.65000      0.2955000       18.10000 0.4116000       19.20000      0.4241000      -1.094000      0.5910000
  1 1 1      -6   -6   26 o    9.279000      0.2524000       9.103000 0.3644000       9.455000      0.3495000     -0.3525000      0.5049000
  1 1 1      -6   -6   28 o    11.03000      0.2567000       11.00000 0.3645000       11.06000      0.3615000     -0.5488000E-01  0.5133000
  1 1 1      -6   -6   29 o    2.805000      0.6035000       2.757000 0.8378000       2.854000      0.8690000     -0.9668000E-01   1.207000
  1 1 1      -6   -6   30 f    5.078000      0.4156000       5.081000 0.5680000       5.076000      0.6068000      0.4432000E-02  0.8312000
  1 1 1      -6   -6   31 o    4.472000      0.4933000       4.516000 0.6742000       4.429000      0.7202000      0.8647000E-01  0.9865000
  1 1 1      -6   -6   32 o    6.234000      0.3762000       5.921000 0.5485000       6.547000      0.5150000     -0.6261000      0.7524000
  1 1 1      -6   -6   33 o    5.738000      0.4137000       5.960000 0.5666000       5.517000      0.6029000      0.4428000      0.8274000
  1 1 1      -6   -6   34 o    2.976000      0.6513000       3.208000 0.9047000       2.744000      0.9372000      0.4639000       1.303000
  1 1 1      -6   -6   35 o    5.163000      0.4370000       5.521000 0.5861000       4.805000      0.6483000      0.7163000      0.8740000
  1 1 1      -6   -6   36 o    3.008000      0.6167000       3.444000 0.8526000       2.571000      0.8911000      0.8724000       1.233000
  1 1 1      -6   -6   37 o    2.516000      0.6026000       1.902000 0.8098000       3.130000      0.8927000      -1.228000       1.205000
  1 1 1      -6   -5    1 o    3.808000      0.1419000       3.753000 0.1967000       3.863000      0.2047000     -0.1096000      0.2839000
  1 1 1      -6   -5    2 o    16.92000      0.2379000       16.68000 0.3328000       17.17000      0.3401000     -0.4934000      0.4758000
  1 1 1      -6   -5    3 o    22.72000      0.3122000       23.14000 0.4493000       22.31000      0.4337000      0.8323000      0.6245000
  1 1 1      -6   -5    4 o    6.099000      0.1394000       6.037000 0.1973000       6.160000      0.1970000     -0.1235000      0.2788000
  1 1 1      -6   -5    5 f    12.93000      0.1947000       12.65000 0.2704000       13.20000      0.2801000     -0.5422000      0.3893000
  1 1 1      -6   -5    6 o    8.501000      0.2227000       8.332000 0.3164000       8.670000      0.3133000     -0.3371000      0.4453000
  1 1 1      -6   -5    7 o    25.81000      0.5019000       26.02000 0.7159000       25.60000      0.7035000      0.4181000       1.004000
  1 1 1      -6   -5    8 o    17.36000      0.2503000       17.73000 0.3603000       16.99000      0.3476000      0.7338000      0.5006000
  1 1 1      -6   -5    9 o    12.51000      0.1989000       12.07000 0.2748000       12.96000      0.2877000     -0.8904000      0.3979000
  1 1 1      -6   -5   10 o    15.55000      0.3285000       15.49000 0.4615000       15.62000      0.4677000     -0.1284000      0.6570000
  1 1 1      -6   -5   11 o    16.32000      0.2436000       16.61000 0.3491000       16.04000      0.3398000      0.5678000      0.4872000
  1 1 1      -6   -5   12 o    6.635000      0.1848000       6.691000 0.2590000       6.579000      0.2635000      0.1120000      0.3695000
  1 1 1      -6   -5   13 o    8.790000      0.2310000       9.204000 0.2669000       8.375000      0.3771000      0.8295000      0.4620000
  1 1 1      -6   -5   14 o    3.311000      0.3040000       3.122000 0.4449000       3.500000      0.4143000     -0.3780000      0.6080000
  1 1 1      -6   -5   15 o    10.79000      0.2022000       10.75000 0.2849000       10.83000      0.2871000     -0.8425000E-01  0.4044000
  1 1 1      -6   -5   16 f    13.60000      0.2267000       13.44000 0.3180000       13.76000      0.3231000     -0.3223000      0.4534000
  1 1 1      -6   -5   17 o    3.232000      0.3691000       3.822000 0.4240000       2.643000      0.6042000       1.179000      0.7382000
  1 1 1      -6   -5   18 o    2.605000      0.6392000       2.605000 0.6392000                  ?              ?              ?              ?
  1 1 1      -6   -5   19 o    3.074000      0.4173000       3.380000 0.5409000       2.769000      0.6357000      0.6112000      0.8346000
  1 1 1      -6   -5   20 o    2.642000      0.6631000                  ?       ?   2.642000      0.6631000                  ?              ?
  1 1 1      -6   -5   21 f    4.815000      0.3026000       4.826000 0.4347000       4.804000      0.4211000      0.2194000E-01  0.6052000
  1 1 1      -6   -5   22 o    3.445000      0.4225000       3.676000 0.5719000       3.213000      0.6220000      0.4638000      0.8450000
  1 1 1      -6   -5   23 f    4.834000      0.3256000       4.899000 0.4485000       4.768000      0.4722000      0.1307000      0.6512000
  1 1 1      -6   -5   24 o    7.897000      0.3590000       8.288000 0.5252000       7.507000      0.4896000      0.7809000      0.7180000
  1 1 1      -6   -5   25 o    3.196000      0.4985000       2.896000 0.7427000       3.496000      0.6653000     -0.6004000      0.9971000
  1 1 1      -6   -5   26 o    2.771000      0.5439000       2.646000 0.7808000       2.896000      0.7573000     -0.2494000       1.088000
  1 1 1      -6   -5   27 o    2.490000      0.6682000       2.367000 0.8911000       2.614000      0.9959000     -0.2468000       1.336000
  1 1 1      -6   -5   28 o    15.09000      0.2728000       15.18000 0.3863000       15.00000      0.3854000      0.1784000      0.5456000
  1 1 1      -6   -5   29 o    5.394000      0.3678000       5.585000 0.4984000       5.203000      0.5410000      0.3829000      0.7356000
  1 1 1      -6   -5   30 o    6.500000      0.3312000       6.429000 0.4645000       6.571000      0.4722000     -0.1419000      0.6624000
  1 1 1      -6   -5   31 o    2.144000      0.5829000       2.501000 0.8666000       1.787000      0.7799000      0.7133000       1.166000
  1 1 1      -6   -5   32 f    5.307000      0.4249000       5.892000 0.5293000       4.722000      0.6650000       1.170000      0.8499000
  1 1 1      -6   -5   33 o    2.023000      0.5983000       2.148000 0.8657000       1.898000      0.8262000      0.2495000       1.197000
  1 1 1      -6   -5   34 o    7.242000      0.3433000       7.004000 0.4946000       7.480000      0.4762000     -0.4755000      0.6866000
  1 1 1      -6   -5   35 o    3.268000      0.6194000       3.041000 0.9007000       3.495000      0.8504000     -0.4542000       1.239000
  1 1 1      -6   -5   36 o    5.017000      0.4504000       4.987000 0.6833000       5.048000      0.5869000     -0.6070000E-01  0.9007000
  1 1 1      -6   -5   37 o    2.779000      0.6315000       2.609000 0.9110000       2.949000      0.8749000     -0.3400000       1.263000
  1 1 1      -6   -4    1 o    11.11000      0.1661000       11.06000 0.2338000       11.16000      0.2361000     -0.1018000      0.3323000
  1 1 1      -6   -4    2 o    7.394000      0.1620000       7.453000 0.1897000       7.335000      0.2627000      0.1182000      0.3240000
  1 1 1      -6   -4    3 o    6.897000      0.1673000       7.109000 0.2755000       6.685000      0.1899000      0.4233000      0.3346000
  1 1 1      -6   -4    4 o    6.156000      0.1387000       6.357000 0.1944000       5.956000      0.1977000      0.4015000      0.2773000
  1 1 1      -6   -4    5 o    10.73000      0.1709000       10.72000 0.2411000       10.74000      0.2423000     -0.2134000E-01  0.3418000
  1 1 1      -6   -4    6 o    22.56000      0.3123000       22.29000 0.4363000       22.83000      0.4469000     -0.5430000      0.6245000
  1 1 1      -6   -4    7 o    7.070000      0.2185000       6.726000 0.3134000       7.415000      0.3046000     -0.6885000      0.4371000
  1 1 1      -6   -4    8 o    8.509000      0.1620000       8.599000 0.2304000       8.419000      0.2277000      0.1798000      0.3240000
  1 1 1      -6   -4    9 o    30.24000      0.4134000       29.82000 0.5773000       30.67000      0.5919000     -0.8444000      0.8269000
  1 1 1      -6   -4   12 o    25.09000      0.3506000       24.89000 0.4923000       25.29000      0.4995000     -0.3947000      0.7013000
  1 1 1      -6   -4   13 o    7.056000      0.1872000       6.964000 0.2636000       7.149000      0.2660000     -0.1846000      0.3745000
  1 1 1      -6   -4   14 o    5.421000      0.2105000       5.370000 0.3040000       5.473000      0.2912000     -0.1030000      0.4210000
  1 1 1      -6   -4   15 o    9.827000      0.1944000       9.610000 0.2737000       10.04000      0.2762000     -0.4336000      0.3889000
  1 1 1      -6   -4   16 o    9.297000      0.1980000       8.996000 0.2776000       9.598000      0.2824000     -0.6012000      0.3960000
  1 1 1      -6   -4   17 o    4.673000      0.2527000       4.462000 0.3581000       4.885000      0.3566000     -0.4226000      0.5054000
  1 1 1      -6   -4   18 f    4.739000      0.3721000       4.739000 0.3721000                  ?              ?              ?              ?
  1 1 1      -6   -4   19 o    5.396000      0.2584000       5.219000 0.3776000       5.572000      0.3529000     -0.3533000      0.5168000
  1 1 1      -6   -4   20 o    3.331000      0.5624000                  ?       ?   3.331000      0.5624000                  ?              ?
  1 1 1      -6   -4   21 o    8.105000      0.2279000       8.208000 0.3276000       8.001000      0.3170000      0.2076000      0.4559000
  1 1 1      -6   -4   22 o    6.819000      0.2516000       6.581000 0.3651000       7.058000      0.3463000     -0.4772000      0.5033000
  1 1 1      -6   -4   23 o    4.080000      0.3941000       4.452000 0.4944000       3.707000      0.6139000      0.7447000      0.7883000
  1 1 1      -6   -4   24 o    6.842000      0.3845000       6.771000 0.5760000       6.914000      0.5095000     -0.1426000      0.7690000
  1 1 1      -6   -4   25 f    3.966000      0.4044000       3.797000 0.6067000       4.136000      0.5349000     -0.3386000      0.8088000
  1 1 1      -6   -4   26 o    9.830000      0.2476000       9.924000 0.3517000       9.735000      0.3485000      0.1887000      0.4952000
  1 1 1      -6   -4   27 o    8.651000      0.3638000       9.061000 0.4810000       8.241000      0.5459000      0.8194000      0.7276000
  1 1 1      -6   -4   28 o    11.36000      0.2543000       10.92000 0.3612000       11.80000      0.3581000     -0.8766000      0.5086000
  1 1 1      -6   -4   29 o    8.423000      0.2789000       8.497000 0.3961000       8.349000      0.3928000      0.1481000      0.5578000
  1 1 1      -6   -4   30 o    4.613000      0.4193000       4.733000 0.5795000       4.494000      0.6062000      0.2388000      0.8386000
  1 1 1      -6   -4   31 o    5.082000      0.3981000       4.837000 0.5741000       5.327000      0.5518000     -0.4899000      0.7963000
  1 1 1      -6   -4   32 o    5.764000      0.3975000       5.492000 0.5680000       6.036000      0.5562000     -0.5438000      0.7950000
  1 1 1      -6   -4   33 o    3.791000      0.5705000       3.699000 0.8195000       3.882000      0.7940000     -0.1826000       1.141000
  1 1 1      -6   -4   34 o    6.002000      0.3779000       5.891000 0.5343000       6.114000      0.5345000     -0.2223000      0.7558000
  1 1 1      -6   -4   35 o    2.412000      0.6289000       2.673000 0.9193000       2.150000      0.8585000      0.5232000       1.258000
  1 1 1      -6   -4   36 o    3.253000      0.6246000       3.569000 0.8766000       2.937000      0.8900000      0.6319000       1.249000
  1 1 1      -6   -4   37 o    4.237000      0.5079000       4.184000 0.7394000       4.290000      0.6964000     -0.1063000       1.016000
  1 1 1      -6   -3    1 o    4.920000      0.1204000       4.953000 0.1694000       4.887000      0.1713000      0.6617000E-01  0.2409000
  1 1 1      -6   -3    2 o    12.93000      0.1881000       12.73000 0.2626000       13.13000      0.2694000     -0.4064000      0.3762000
  1 1 1      -6   -3    3 o    9.100000      0.1492000       9.050000 0.2104000       9.150000      0.2115000     -0.1006000      0.2983000
  1 1 1      -6   -3    4 o    12.59000      0.1877000       12.70000 0.2673000       12.47000      0.2636000      0.2300000      0.3754000
  1 1 1      -6   -3    5 o    9.333000      0.1579000       9.367000 0.2237000       9.299000      0.2229000      0.6820000E-01  0.3158000
  1 1 1      -6   -3    6 o    11.97000      0.1848000       11.82000 0.2583000       12.13000      0.2644000     -0.3143000      0.3696000
  1 1 1      -6   -3    7 o    10.27000      0.2420000       10.38000 0.3455000       10.15000      0.3389000      0.2287000      0.4840000
  1 1 1      -6   -3    8 o    16.15000      0.2879000       16.04000 0.4682000       16.27000      0.3352000     -0.2304000      0.5758000
  1 1 1      -6   -3    9 o    4.783000      0.2252000       4.855000 0.2566000       4.710000      0.3701000      0.1455000      0.4503000
  1 1 1      -6   -3   10 o    16.12000      0.3358000       16.23000 0.4760000       16.01000      0.4738000      0.2202000      0.6716000
  1 1 1      -6   -3   11 o    8.515000      0.2444000       8.562000 0.3427000       8.467000      0.3486000      0.9537000E-01  0.4889000
  1 1 1      -6   -3   12 o    5.578000      0.1903000       5.803000 0.2632000       5.354000      0.2749000      0.4490000      0.3806000
  1 1 1      -6   -3   13 o    1.420000      0.3761000      0.9732000 0.4597000       1.866000      0.5954000     -0.8931000      0.7522000
  1 1 1      -6   -3   14 o    8.095000      0.1860000       8.079000 0.2603000       8.111000      0.2657000     -0.3264000E-01  0.3720000
  1 1 1      -6   -3   15 o    5.519000      0.2102000       5.479000 0.2974000       5.559000      0.2973000     -0.7933000E-01  0.4205000
  1 1 1      -6   -3   16 o    6.546000      0.2080000       6.355000 0.2983000       6.737000      0.2900000     -0.3814000      0.4160000
  1 1 1      -6   -3   17 o    3.382000      0.3392000       3.223000 0.5067000       3.541000      0.4510000     -0.3183000      0.6783000
  1 1 1      -6   -3   18 o    6.890000      0.2203000       7.159000 0.3004000       6.620000      0.3224000      0.5389000      0.4407000
  1 1 1      -6   -3   19 o    2.736000      0.4349000       2.926000 0.5859000       2.547000      0.6428000      0.3787000      0.8698000
  1 1 1      -6   -3   20 o    5.361000      0.2658000       5.337000 0.3888000       5.384000      0.3624000     -0.4729000E-01  0.5315000
  1 1 1      -6   -3   21 o    7.010000      0.2399000       6.674000 0.3548000       7.345000      0.3229000     -0.6710000      0.4798000
  1 1 1      -6   -3   22 o    1.762000      0.4876000       1.610000 0.6676000       1.914000      0.7109000     -0.3043000      0.9753000
  1 1 1      -6   -3   23 o    5.945000      0.2846000       5.983000 0.4058000       5.907000      0.3990000      0.7607000E-01  0.5691000
  1 1 1      -6   -3   24 o    7.497000      0.3655000       7.445000 0.5369000       7.549000      0.4959000     -0.1049000      0.7309000
  1 1 1      -6   -3   25 o    10.47000      0.2424000       10.95000 0.3421000       9.987000      0.3434000      0.9662000      0.4847000
  1 1 1      -6   -3   26 o    8.430000      0.2600000       7.946000 0.3782000       8.914000      0.3568000     -0.9681000      0.5199000
  1 1 1      -6   -3   27 o    8.057000      0.3750000       8.055000 0.5048000       8.059000      0.5547000     -0.4169000E-02  0.7500000
  1 1 1      -6   -3   28 f    10.04000      0.2551000       9.843000 0.3638000       10.23000      0.3578000     -0.3869000      0.5102000
  1 1 1      -6   -3   29 o    5.552000      0.3536000       5.876000 0.4900000       5.229000      0.5099000      0.6474000      0.7072000
  1 1 1      -6   -3   30 o    5.341000      0.3776000       5.231000 0.5599000       5.451000      0.5069000     -0.2202000      0.7553000
  1 1 1      -6   -3   31 o    11.25000      0.2742000       11.09000 0.3857000       11.41000      0.3898000     -0.3239000      0.5483000
  1 1 1      -6   -3   32 o    4.292000      0.5111000       4.707000 0.6526000       3.877000      0.7868000      0.8302000       1.022000
  1 1 1      -6   -3   33 o    6.585000      0.3499000       6.596000 0.4914000       6.574000      0.4983000      0.2185000E-01  0.6999000
  1 1 1      -6   -3   34 o    4.662000      0.4618000       4.516000 0.6881000       4.808000      0.6160000     -0.2920000      0.9235000
  1 1 1      -6   -3   35 o    5.980000      0.3768000       5.743000 0.5520000       6.216000      0.5131000     -0.4726000      0.7536000
  1 1 1      -6   -3   36 o    2.686000      0.6173000       2.760000 0.8896000       2.612000      0.8560000      0.1476000       1.235000
  1 1 1      -6   -3   37 o    5.074000      0.4180000       4.676000 0.6482000       5.472000      0.5280000     -0.7959000      0.8360000
  1 1 1      -6   -2    1 o    15.46000      0.2172000       15.28000 0.3044000       15.63000      0.3100000     -0.3443000      0.4344000
  1 1 1      -6   -2    2 o    8.670000      0.1423000       8.657000 0.2011000       8.684000      0.2014000     -0.2676000E-01  0.2846000
  1 1 1      -6   -2    3 o    4.209000      0.1684000       3.867000 0.1952000       4.551000      0.2745000     -0.6842000      0.3368000
  1 1 1      -6   -2    4 o    18.66000      0.2609000       18.48000 0.3661000       18.84000      0.3718000     -0.3638000      0.5217000
  1 1 1      -6   -2    5 o    10.88000      0.1714000       11.18000 0.2463000       10.57000      0.2385000      0.6150000      0.3429000
  1 1 1      -6   -2    6 o    7.422000      0.1490000       7.702000 0.2116000       7.142000      0.2097000      0.5597000      0.2979000
  1 1 1      -6   -2    7 o    13.48000      0.2864000       13.32000 0.4026000       13.64000      0.4074000     -0.3226000      0.5727000
  1 1 1      -6   -2    8 o    7.958000      0.1948000       7.642000 0.3174000       8.273000      0.2257000     -0.6314000      0.3895000
  1 1 1      -6   -2    9 o    12.96000      0.2465000       12.98000 0.2856000       12.93000      0.4018000      0.4997000E-01  0.4929000
  1 1 1      -6   -2   10 o    2.877000      0.3811000       2.256000 0.6067000       3.497000      0.4612000      -1.240000      0.7621000
  1 1 1      -6   -2   12 o    17.49000      0.2574000       17.63000 0.3668000       17.35000      0.3613000      0.2850000      0.5149000
  1 1 1      -6   -2   13 o    4.926000      0.2085000       4.724000 0.3002000       5.129000      0.2895000     -0.4058000      0.4171000
  1 1 1      -6   -2   14 o    10.71000      0.1959000       10.98000 0.2790000       10.44000      0.2752000      0.5325000      0.3919000
  1 1 1      -6   -2   15 o    3.311000      0.3031000       3.409000 0.4129000       3.214000      0.4438000      0.1948000      0.6061000
  1 1 1      -6   -2   16 o    17.35000      0.2623000       17.71000 0.3769000       16.99000      0.3649000      0.7216000      0.5246000
  1 1 1      -6   -2   17 o    2.433000      0.4317000       2.724000 0.5637000       2.142000      0.6540000      0.5825000      0.8634000
  1 1 1      -6   -2   18 o    11.72000      0.2164000       11.74000 0.3032000       11.69000      0.3087000      0.4555000E-01  0.4327000
  1 1 1      -6   -2   19 o    3.181000      0.3976000       3.540000 0.5027000       2.823000      0.6161000      0.7167000      0.7952000
  1 1 1      -6   -2   20 o    6.731000      0.2345000       6.779000 0.3304000       6.682000      0.3328000      0.9659000E-01  0.4690000
  1 1 1      -6   -2   21 o    6.042000      0.2574000       6.459000 0.3536000       5.624000      0.3743000      0.8352000      0.5149000
  1 1 1      -6   -2   22 o    7.609000      0.2337000       7.440000 0.3411000       7.779000      0.3196000     -0.3393000      0.4674000
  1 1 1      -6   -2   23 o    3.188000      0.5793000       3.538000 0.8166000       2.839000      0.8218000      0.6991000       1.159000
  1 1 1      -6   -2   24 o    6.215000      0.3774000       6.757000 0.5270000       5.674000      0.5404000       1.082000      0.7548000
  1 1 1      -6   -2   25 o    9.673000      0.2358000       9.729000 0.3342000       9.617000      0.3328000      0.1125000      0.4716000
  1 1 1      -6   -2   26 o    6.250000      0.4073000       6.469000 0.5495000       6.031000      0.6013000      0.4384000      0.8146000
  1 1 1      -6   -2   27 o    9.433000      0.3598000       9.281000 0.5006000       9.585000      0.5168000     -0.3044000      0.7195000
  1 1 1      -6   -2   28 o    1.621000      0.4833000       1.227000 0.5887000       2.015000      0.7667000     -0.7885000      0.9666000
  1 1 1      -6   -2   29 o    3.059000      0.5403000       3.243000 0.7428000       2.875000      0.7848000      0.3681000       1.081000
  1 1 1      -6   -2   30 o    4.308000      0.4472000       3.644000 0.7238000       4.971000      0.5254000      -1.327000      0.8944000
  1 1 1      -6   -2   31 o    7.206000      0.3102000       6.654000 0.4574000       7.758000      0.4192000      -1.104000      0.6204000
  1 1 1      -6   -2   32 o    7.264000      0.3310000       6.713000 0.4941000       7.815000      0.4407000      -1.102000      0.6621000
  1 1 1      -6   -2   33 o    2.165000      0.5763000       1.651000 0.7392000       2.678000      0.8844000      -1.027000       1.153000
  1 1 1      -6   -2   34 o    4.099000      0.4963000       4.327000 0.6823000       3.872000      0.7209000      0.4550000      0.9926000
  1 1 1      -6   -2   35 o    8.233000      0.3012000       8.293000 0.4278000       8.172000      0.4240000      0.1209000      0.6023000
  1 1 1      -6   -2   36 o    1.922000      0.5724000       1.811000 0.7980000       2.033000      0.8209000     -0.2222000       1.145000
  1 1 1      -6   -2   37 o    3.287000      0.6067000       3.453000 0.8728000       3.122000      0.8429000      0.3316000       1.213000
  1 1 1      -6   -1    1 o    8.509000      0.1378000       8.497000 0.1943000       8.522000      0.1955000     -0.2483000E-01  0.2756000
  1 1 1      -6   -1    2 o    20.51000      0.2823000       20.55000 0.3999000       20.47000      0.3986000      0.8526000E-01  0.5647000
  1 1 1      -6   -1    3 o    2.178000      0.2044000       2.303000 0.2697000       2.053000      0.3073000      0.2501000      0.4088000
  1 1 1      -6   -1    4 o    4.141000      0.1430000       4.226000 0.2032000       4.056000      0.2012000      0.1692000      0.2860000
  1 1 1      -6   -1    5 o    22.16000      0.3069000       22.82000 0.4461000       21.50000      0.4217000       1.319000      0.6139000
  1 1 1      -6   -1    6 o    16.07000      0.2326000       15.89000 0.3257000       16.25000      0.3321000     -0.3554000      0.4651000
  1 1 1      -6   -1    7 o    20.44000      0.4047000       20.41000 0.5714000       20.46000      0.5733000     -0.5622000E-01  0.8094000
  1 1 1      -6   -1    8 o    15.73000      0.2301000       15.30000 0.3184000       16.15000      0.3324000     -0.8531000      0.4603000
  1 1 1      -6   -1    9 f    4.930000      0.1717000       4.891000 0.2445000       4.968000      0.2412000     -0.7663000E-01  0.3434000
  1 1 1      -6   -1   10 o    9.468000      0.2470000       9.176000 0.3420000       9.760000      0.3566000     -0.5835000      0.4941000
  1 1 1      -6   -1   11 o    21.90000      0.3806000       21.50000 0.4301000       22.29000      0.6282000     -0.7935000      0.7613000
  1 1 1      -6   -1   12 o    12.09000      0.2002000       12.03000 0.2821000       12.15000      0.2843000     -0.1247000      0.4005000
  1 1 1      -6   -1   13 o    5.225000      0.2018000       5.493000 0.2794000       4.957000      0.2912000      0.5357000      0.4036000
  1 1 1      -6   -1   14 o    9.371000      0.1895000       9.752000 0.2692000       8.989000      0.2668000      0.7624000      0.3790000
  1 1 1      -6   -1   15 o    3.903000      0.2635000       3.919000 0.3754000       3.887000      0.3700000      0.3161000E-01  0.5271000
  1 1 1      -6   -1   16 o    5.803000      0.2136000       5.754000 0.3001000       5.852000      0.3040000     -0.9880000E-01  0.4271000
  1 1 1      -6   -1   17 o    9.797000      0.2028000       9.598000 0.2833000       9.996000      0.2903000     -0.3985000      0.4057000
  1 1 1      -6   -1   18 o    6.582000      0.2191000       6.668000 0.3044000       6.495000      0.3153000      0.1730000      0.4383000
  1 1 1      -6   -1   19 o    6.501000      0.2692000       6.918000 0.3216000       6.083000      0.4317000      0.8350000      0.5383000
  1 1 1      -6   -1   20 o    5.153000      0.2679000       4.992000 0.3894000       5.315000      0.3679000     -0.3225000      0.5357000
  1 1 1      -6   -1   21 o    11.63000      0.2262000       11.69000 0.3196000       11.56000      0.3202000      0.1316000      0.4524000
  1 1 1      -6   -1   22 o    4.912000      0.3020000       5.302000 0.4197000       4.521000      0.4344000      0.7809000      0.6040000
  1 1 1      -6   -1   23 o    3.923000      0.5224000       3.631000 0.8196000       4.216000      0.6479000     -0.5853000       1.045000
  1 1 1      -6   -1   24 o    9.663000      0.2899000       10.06000 0.4831000       9.262000      0.3208000      0.8008000      0.5799000
  1 1 1      -6   -1   25 o    5.783000      0.2832000       5.761000 0.4100000       5.804000      0.3909000     -0.4288000E-01  0.5665000
  1 1 1      -6   -1   26 o    5.819000      0.4399000       5.542000 0.6257000       6.097000      0.6186000     -0.5558000      0.8799000
  1 1 1      -6   -1   27 o    3.085000      0.5957000       2.357000 0.7707000       3.813000      0.9085000      -1.456000       1.191000
  1 1 1      -6   -1   28 o    6.153000      0.3045000       6.026000 0.4465000       6.280000      0.4140000     -0.2542000      0.6090000
  1 1 1      -6   -1   29 o    2.733000      0.5583000       2.440000 0.8215000       3.025000      0.7564000     -0.5854000       1.117000
  1 1 1      -6   -1   30 o    8.626000      0.2763000       8.593000 0.3809000       8.659000      0.4003000     -0.6587000E-01  0.5526000
  1 1 1      -6   -1   31 f    5.838000      0.3533000       6.384000 0.4670000       5.293000      0.5304000       1.091000      0.7067000
  1 1 1      -6   -1   32 o    10.01000      0.2797000       9.847000 0.4017000       10.17000      0.3894000     -0.3258000      0.5594000
  1 1 1      -6   -1   33 o    3.322000      0.5714000       2.693000 0.8611000       3.950000      0.7513000      -1.257000       1.143000
  1 1 1      -6   -1   34 o    1.959000      0.5719000       1.896000 0.8028000       2.023000      0.8147000     -0.1271000       1.144000
  1 1 1      -6   -1   35 f    6.911000      0.3470000       7.693000 0.4666000       6.129000      0.5138000       1.564000      0.6940000
  1 1 1      -6   -1   36 o    5.079000      0.4193000       4.559000 0.6151000       5.600000      0.5700000      -1.041000      0.8386000
  1 1 1      -6   -1   37 o    2.785000      0.5985000       3.239000 0.8529000       2.331000      0.8400000      0.9082000       1.197000
  1 1 1      -6    0    1 o    17.57000      0.2438000       17.71000 0.3471000       17.43000      0.3424000      0.2800000      0.4876000
  1 1 1      -6    0    2 o    9.818000      0.1535000       9.653000 0.2147000       9.982000      0.2195000     -0.3288000      0.3071000
  1 1 1      -6    0    3 o    18.54000      0.2583000       18.80000 0.3697000       18.29000      0.3609000      0.5137000      0.5166000
  1 1 1      -6    0    4 o    7.866000      0.1419000       7.809000 0.2010000       7.923000      0.2004000     -0.1136000      0.2838000
  1 1 1      -6    0    5 o    17.24000      0.2446000       17.20000 0.3451000       17.27000      0.3466000     -0.7363000E-01  0.4891000
  1 1 1      -6    0    6 o    7.131000      0.2049000       7.418000 0.2959000       6.844000      0.2836000      0.5744000      0.4099000
  1 1 1      -6    0    7 o    8.889000      0.1561000       8.981000 0.2230000       8.796000      0.2185000      0.1851000      0.3121000
  1 1 1      -6    0    8 o    14.87000      0.2211000       15.29000 0.3194000       14.46000      0.3059000      0.8322000      0.4423000
  1 1 1      -6    0    9 o    8.956000      0.2379000       8.960000 0.3351000       8.952000      0.3378000      0.7915000E-02  0.4758000
  1 1 1      -6    0   10 f    11.21000      0.2662000       10.84000 0.3672000       11.58000      0.3856000     -0.7399000      0.5324000
  1 1 1      -6    0   11 o    20.76000      0.2954000       20.70000 0.4164000       20.82000      0.4193000     -0.1123000      0.5909000
  1 1 1      -6    0   12 o    22.39000      0.3168000       21.86000 0.4391000       22.92000      0.4568000      -1.060000      0.6337000
  1 1 1      -6    0   13 o    6.707000      0.1800000       6.444000 0.2543000       6.969000      0.2548000     -0.5247000      0.3600000
  1 1 1      -6    0   14 o    13.08000      0.2156000       12.81000 0.3008000       13.36000      0.3091000     -0.5480000      0.4312000
  1 1 1      -6    0   15 o    8.453000      0.1904000       8.194000 0.2733000       8.712000      0.2650000     -0.5180000      0.3807000
  1 1 1      -6    0   16 o    5.286000      0.2178000       4.993000 0.3202000       5.578000      0.2953000     -0.5857000      0.4356000
  1 1 1      -6    0   17 o    5.518000      0.2187000       5.386000 0.3199000       5.651000      0.2984000     -0.2655000      0.4375000
  1 1 1      -6    0   18 f    3.962000      0.3009000       4.290000 0.3860000       3.635000      0.4617000      0.6546000      0.6018000
  1 1 1      -6    0   19 o    1.943000      0.6731000       1.943000 0.6731000                  ?              ?              ?              ?
  1 1 1      -6    0   20 o    3.813000      0.3224000       3.909000 0.4597000       3.718000      0.4523000      0.1902000      0.6449000
  1 1 1      -6    0   21 o    8.119000      0.3114000                  ?       ?   8.119000      0.3114000                  ?              ?
  1 1 1      -6    0   22 o    11.26000      0.2291000       11.60000 0.3329000       10.91000      0.3147000      0.6829000      0.4581000
  1 1 1      -6    0   23 o    2.693000      0.5910000       2.515000 0.8587000       2.871000      0.8121000     -0.3555000       1.182000
  1 1 1      -6    0   24 o    8.484000      0.2348000       8.740000 0.3382000       8.229000      0.3258000      0.5102000      0.4695000
  1 1 1      -6    0   25 o    5.300000      0.3095000       5.377000 0.4368000       5.224000      0.4387000      0.1532000      0.6191000
  1 1 1      -6    0   26 o    5.522000      0.4688000       5.941000 0.6125000       5.103000      0.7100000      0.8382000      0.9377000
  1 1 1      -6    0   27 o    13.07000      0.2520000       13.06000 0.3574000       13.08000      0.3555000     -0.2074000E-01  0.5041000
  1 1 1      -6    0   28 f    4.971000      0.3549000       5.157000 0.5047000       4.786000      0.4990000      0.3708000      0.7098000
  1 1 1      -6    0   29 o    2.615000      0.5648000       2.561000 0.8246000       2.670000      0.7719000     -0.1088000       1.130000
  1 1 1      -6    0   30 o    5.085000      0.3936000       4.616000 0.6297000       5.554000      0.4724000     -0.9387000      0.7872000
  1 1 1      -6    0   31 o    2.183000      0.5746000       1.930000 0.8072000       2.436000      0.8179000     -0.5060000       1.149000
  1 1 1      -6    0   32 o    6.270000      0.3565000       6.523000 0.4855000       6.017000      0.5221000      0.5058000      0.7129000
  1 1 1      -6    0   33 o    2.863000      0.5911000       3.314000 0.8356000       2.412000      0.8362000      0.9013000       1.182000
  1 1 1      -6    0   34 o    4.748000      0.4418000       4.547000 0.6647000       4.950000      0.5822000     -0.4036000      0.8836000
  1 1 1      -6    0   35 o    4.210000      0.5046000       4.200000 0.7051000       4.221000      0.7219000     -0.2072000E-01   1.009000
  1 1 1      -6    0   36 o    2.757000      0.6114000       2.891000 0.8804000       2.624000      0.8487000      0.2674000       1.223000
  1 1 1      -6    0   37 o    1.904000      0.5764000       1.869000 0.8120000       1.939000      0.8184000     -0.6998000E-01   1.153000
  1 1 1      -6    1    1 o    23.16000      0.3168000       22.97000 0.4435000       23.36000      0.4524000     -0.3932000      0.6335000
  1 1 1      -6    1    2 o    9.049000      0.1803000       8.825000 0.2063000       9.273000      0.2958000     -0.4481000      0.3607000
  1 1 1      -6    1    3 o    7.647000      0.1390000       7.814000 0.1982000       7.481000      0.1949000      0.3336000      0.2780000
  1 1 1      -6    1    4 o    22.55000      0.3107000       22.07000 0.4309000       23.03000      0.4478000     -0.9593000      0.6215000
  1 1 1      -6    1    5 o    23.84000      0.4640000       23.48000 0.6474000       24.20000      0.6648000     -0.7231000      0.9279000
  1 1 1      -6    1    6 o    14.60000      0.3037000       14.64000 0.4306000       14.57000      0.4285000      0.6842000E-01  0.6074000
  1 1 1      -6    1    7 o    12.21000      0.1903000       12.12000 0.2673000       12.30000      0.2709000     -0.1800000      0.3806000
  1 1 1      -6    1    8 o    29.50000      0.4038000       29.46000 0.5711000       29.54000      0.5711000     -0.7724000E-01  0.8076000
  1 1 1      -6    1    9 o    9.496000      0.2445000       9.386000 0.3429000       9.606000      0.3487000     -0.2199000      0.4891000
  1 1 1      -6    1   10 o    15.91000      0.2377000       15.67000 0.3323000       16.16000      0.3398000     -0.4869000      0.4753000
  1 1 1      -6    1   11 o    5.001000      0.1838000       5.104000 0.2593000       4.899000      0.2606000      0.2057000      0.3677000
  1 1 1      -6    1   12 o    1.698000      0.3907000       1.632000 0.5637000       1.765000      0.5411000     -0.1332000      0.7814000
  1 1 1      -6    1   13 f    5.837000      0.1855000       6.163000 0.2593000       5.512000      0.2654000      0.6511000      0.3710000
  1 1 1      -6    1   14 o    17.04000      0.2562000       17.13000 0.3626000       16.95000      0.3621000      0.1840000      0.5125000
  1 1 1      -6    1   15 o    6.918000      0.1891000       7.057000 0.2637000       6.780000      0.2712000      0.2767000      0.3783000
  1 1 1      -6    1   16 o    7.876000      0.1927000       7.966000 0.2747000       7.785000      0.2703000      0.1803000      0.3854000
  1 1 1      -6    1   17 o    17.21000      0.2629000       17.19000 0.3712000       17.22000      0.3723000     -0.2750000E-01  0.5257000
  1 1 1      -6    1   18 o    11.98000      0.2161000       11.85000 0.3035000       12.11000      0.3078000     -0.2555000      0.4323000
  1 1 1      -6    1   19 o    2.702000      0.4529000       3.239000 0.4853000       2.165000      0.7648000       1.074000      0.9058000
  1 1 1      -6    1   20 o    2.396000      0.4552000       2.712000 0.6293000       2.080000      0.6578000      0.6322000      0.9103000
  1 1 1      -6    1   21 o    7.870000      0.3067000                  ?       ?   7.870000      0.3067000                  ?              ?
  1 1 1      -6    1   22 o    4.408000      0.4378000       4.165000 0.6714000       4.650000      0.5620000     -0.4850000      0.8756000
  1 1 1      -6    1   23 o    4.672000      0.4413000       4.941000 0.6205000       4.402000      0.6276000      0.5391000      0.8825000
  1 1 1      -6    1   24 o    4.109000      0.3574000       3.701000 0.5615000       4.518000      0.4424000     -0.8173000      0.7148000
  1 1 1      -6    1   25 o    3.542000      0.6051000       3.758000 0.8136000       3.325000      0.8961000      0.4323000       1.210000
  1 1 1      -6    1   26 o    2.873000      0.6405000       3.232000 0.8886000       2.513000      0.9228000      0.7190000       1.281000
  1 1 1      -6    1   27 o    11.30000      0.2462000       11.03000 0.3490000       11.56000      0.3474000     -0.5299000      0.4924000
  1 1 1      -6    1   28 o    3.226000      0.4990000       3.271000 0.7119000       3.180000      0.6995000      0.9143000E-01  0.9981000
  1 1 1      -6    1   29 f    4.439000      0.4014000       4.381000 0.5795000       4.496000      0.5554000     -0.1153000      0.8027000
  1 1 1      -6    1   30 o    3.665000      0.5007000       3.463000 0.7492000       3.867000      0.6644000     -0.4042000       1.001000
  1 1 1      -6    1   31 o    3.748000      0.5082000       4.103000 0.6789000       3.393000      0.7564000      0.7103000       1.016000
  1 1 1      -6    1   32 o    7.538000      0.3082000       7.472000 0.4351000       7.605000      0.4368000     -0.1335000      0.6165000
  1 1 1      -6    1   33 o    2.907000      0.5876000       2.513000 0.8785000       3.301000      0.7806000     -0.7885000       1.175000
  1 1 1      -6    1   34 o    6.698000      0.3430000       6.884000 0.4888000       6.511000      0.4813000      0.3726000      0.6860000
  1 1 1      -6    1   35 o    1.725000      0.5418000       1.815000 0.7968000       1.634000      0.7346000      0.1808000       1.084000
  1 1 1      -6    1   36 f    3.198000      0.6063000       3.502000 0.8199000       2.894000      0.8934000      0.6084000       1.213000
  1 1 1      -6    1   37 o    2.112000      0.5872000       1.942000 0.8195000       2.282000      0.8413000     -0.3394000       1.174000
  1 1 1      -6    2    1 o    21.09000      0.2908000       21.19000 0.4130000       21.00000      0.4095000      0.1937000      0.5816000
  1 1 1      -6    2    2 o    26.27000      0.3586000       26.49000 0.5112000       26.04000      0.5032000      0.4452000      0.7173000
  1 1 1      -6    2    3 o    12.56000      0.2305000       12.90000 0.2748000       12.23000      0.3701000      0.6756000      0.4610000
  1 1 1      -6    2    4 o    28.96000      0.5578000       28.87000 0.7861000       29.04000      0.7916000     -0.1674000       1.116000
  1 1 1      -6    2    5 o    12.76000      0.2758000       13.04000 0.3936000       12.49000      0.3864000      0.5443000      0.5515000
  1 1 1      -6    2    6 o    8.066000      0.1912000       8.377000 0.3098000       7.754000      0.2242000      0.6227000      0.3824000
  1 1 1      -6    2    7 o    10.13000      0.1719000       9.971000 0.2406000       10.28000      0.2456000     -0.3100000      0.3438000
  1 1 1      -6    2    8 o    10.38000      0.2530000       10.90000 0.3644000       9.860000      0.3511000       1.038000      0.5060000
  1 1 1      -6    2    9 o    12.94000      0.2029000       12.92000 0.2859000       12.97000      0.2881000     -0.4311000E-01  0.4059000
  1 1 1      -6    2   10 o    12.95000      0.2058000       13.07000 0.2918000       12.83000      0.2904000      0.2405000      0.4117000
  1 1 1      -6    2   11 f    22.05000      0.3116000       22.26000 0.4443000       21.84000      0.4372000      0.4258000      0.6233000
  1 1 1      -6    2   12 o    11.97000      0.1985000       12.33000 0.2856000       11.61000      0.2758000      0.7264000      0.3970000
  1 1 1      -6    2   13 o    4.660000      0.2178000       4.866000 0.3011000       4.455000      0.3148000      0.4118000      0.4356000
  1 1 1      -6    2   14 o    9.061000      0.1898000       8.712000 0.2660000       9.410000      0.2709000     -0.6975000      0.3797000
  1 1 1      -6    2   15 o    9.994000      0.1935000       10.15000 0.2731000       9.838000      0.2743000      0.3116000      0.3870000
  1 1 1      -6    2   16 o    11.31000      0.2070000       11.80000 0.2990000       10.82000      0.2864000      0.9809000      0.4141000
  1 1 1      -6    2   17 o    7.974000      0.1999000       7.647000 0.2820000       8.301000      0.2834000     -0.6547000      0.3999000
  1 1 1      -6    2   18 o    4.538000      0.2628000       4.595000 0.3759000       4.480000      0.3674000      0.1152000      0.5256000
  1 1 1      -6    2   19 o    6.304000      0.2298000       6.701000 0.3180000       5.907000      0.3319000      0.7936000      0.4597000
  1 1 1      -6    2   20 o    4.517000      0.2920000       4.558000 0.4179000       4.477000      0.4078000      0.8099000E-01  0.5839000
  1 1 1      -6    2   21 o    3.366000      0.5473000       3.050000 0.8540000       3.683000      0.6848000     -0.6323000       1.095000
  1 1 1      -6    2   22 o    5.312000      0.3881000       5.532000 0.5680000       5.092000      0.5289000      0.4402000      0.7761000
  1 1 1      -6    2   23 o    4.691000      0.3287000       4.078000 0.5224000       5.305000      0.3991000      -1.227000      0.6574000
  1 1 1      -6    2   24 o    1.854000      0.4738000       1.419000 0.6328000       2.289000      0.7052000     -0.8700000      0.9475000
  1 1 1      -6    2   25 o    7.259000      0.3483000       7.142000 0.4812000       7.375000      0.5037000     -0.2334000      0.6966000
  1 1 1      -6    2   26 o    4.399000      0.3393000       4.137000 0.5202000       4.661000      0.4359000     -0.5243000      0.6787000
  1 1 1      -6    2   27 o    5.820000      0.2929000       5.507000 0.4318000       6.132000      0.3958000     -0.6257000      0.5858000
  1 1 1      -6    2   28 o    7.325000      0.2684000       7.464000 0.3818000       7.186000      0.3774000      0.2785000      0.5368000
  1 1 1      -6    2   29 o    2.400000      0.4636000       1.338000 0.6298000       3.462000      0.6804000      -2.124000      0.9272000
  1 1 1      -6    2   30 o    4.137000      0.4489000       3.804000 0.6900000       4.471000      0.5744000     -0.6668000      0.8978000
  1 1 1      -6    2   31 o    4.443000      0.4323000       4.520000 0.5980000       4.365000      0.6244000      0.1554000      0.8646000
  1 1 1      -6    2   32 o    7.944000      0.3018000       7.908000 0.4246000       7.981000      0.4289000     -0.7262000E-01  0.6035000
  1 1 1      -6    2   33 o    4.929000      0.4235000       4.740000 0.6333000       5.119000      0.5624000     -0.3796000      0.8469000
  1 1 1      -6    2   34 o    3.235000      0.5929000       2.904000 0.8996000       3.566000      0.7725000     -0.6617000       1.186000
  1 1 1      -6    2   35 o    1.932000      0.5688000       1.978000 0.8238000       1.887000      0.7847000      0.9144000E-01   1.138000
  1 1 1      -6    2   36 o    2.166000      0.5809000       1.771000 0.7860000       2.562000      0.8556000     -0.7902000       1.162000
  1 1 1      -6    2   37 o    2.370000      0.6092000       2.272000 0.8868000       2.468000      0.8355000     -0.1956000       1.218000
  1 1 1      -6    3    1 o    17.61000      0.2475000       17.82000 0.3541000       17.40000      0.3461000      0.4242000      0.4951000
  1 1 1      -6    3    2 o    11.42000      0.1774000       11.48000 0.2517000       11.37000      0.2500000      0.1063000      0.3548000
  1 1 1      -6    3    5 o    9.193000      0.1646000       9.298000 0.2343000       9.088000      0.2313000      0.2096000      0.3292000
  1 1 1      -6    3    6 o    6.568000      0.1539000       6.477000 0.2141000       6.659000      0.2211000     -0.1818000      0.3078000
  1 1 1      -6    3    7 o    9.229000      0.2399000       9.734000 0.3431000       8.723000      0.3353000       1.011000      0.4798000
  1 1 1      -6    3    8 o    12.20000      0.2409000       11.89000 0.2716000       12.51000      0.3979000     -0.6163000      0.4817000
  1 1 1      -6    3    9 o    12.52000      0.2022000       12.72000 0.2851000       12.32000      0.2869000      0.4014000      0.4044000
  1 1 1      -6    3   10 o    27.07000      0.3747000       27.31000 0.5333000       26.82000      0.5264000      0.4887000      0.7494000
  1 1 1      -6    3   11 o    2.057000      0.3769000       1.686000 0.5481000       2.429000      0.5173000     -0.7422000      0.7537000
  1 1 1      -6    3   12 o    12.61000      0.2097000       12.85000 0.2957000       12.37000      0.2974000      0.4800000      0.4194000
  1 1 1      -6    3   13 o    17.26000      0.2572000       16.90000 0.3576000       17.62000      0.3697000     -0.7180000      0.5143000
  1 1 1      -6    3   14 o    12.94000      0.2151000       12.89000 0.3014000       13.00000      0.3071000     -0.1057000      0.4303000
  1 1 1      -6    3   15 o    8.701000      0.1929000       8.862000 0.2732000       8.540000      0.2725000      0.3225000      0.3858000
  1 1 1      -6    3   16 o    10.16000      0.1998000       10.32000 0.2843000       10.00000      0.2808000      0.3144000      0.3996000
  1 1 1      -6    3   17 o    5.594000      0.2266000       5.136000 0.3335000       6.052000      0.3067000     -0.9154000      0.4531000
  1 1 1      -6    3   18 f    3.247000      0.3358000       3.112000 0.4867000       3.383000      0.4627000     -0.2709000      0.6715000
  1 1 1      -6    3   19 o    6.093000      0.2335000       6.172000 0.3289000       6.014000      0.3314000      0.1577000      0.4669000
  1 1 1      -6    3   20 o    1.936000      0.4663000       1.880000 0.6675000       1.993000      0.6512000     -0.1133000      0.9325000
  1 1 1      -6    3   21 o    2.915000      0.5331000       3.385000 0.7486000       2.444000      0.7593000      0.9405000       1.066000
  1 1 1      -6    3   22 o    8.221000      0.2876000       8.377000 0.4768000       8.064000      0.3217000      0.3125000      0.5752000
  1 1 1      -6    3   23 o    6.865000      0.2513000       7.179000 0.3542000       6.552000      0.3566000      0.6272000      0.5026000
  1 1 1      -6    3   24 o    14.77000      0.3636000       14.68000 0.5113000       14.86000      0.5171000     -0.1826000      0.7272000
  1 1 1      -6    3   25 o    9.180000      0.2317000       9.154000 0.3329000       9.205000      0.3224000     -0.5109000E-01  0.4634000
  1 1 1      -6    3   26 o    11.37000      0.2400000       11.13000 0.3438000       11.61000      0.3349000     -0.4783000      0.4799000
  1 1 1      -6    3   27 o    5.716000      0.2861000       6.014000 0.4055000       5.418000      0.4036000      0.5963000      0.5722000
  1 1 1      -6    3   28 f    5.252000      0.3185000       5.455000 0.4406000       5.050000      0.4601000      0.4051000      0.6371000
  1 1 1      -6    3   29 o    4.131000      0.4098000       3.993000 0.6027000       4.268000      0.5556000     -0.2748000      0.8197000
  1 1 1      -6    3   30 o    9.746000      0.2636000       9.276000 0.3788000       10.22000      0.3668000     -0.9393000      0.5273000
  1 1 1      -6    3   31 o    6.967000      0.3153000       6.415000 0.4691000       7.518000      0.4213000      -1.104000      0.6305000
  1 1 1      -6    3   32 o    2.577000      0.5420000       1.722000 0.7637000       3.432000      0.7692000      -1.710000       1.084000
  1 1 1      -6    3   33 o    2.401000      0.6023000       2.432000 0.8618000       2.369000      0.8418000      0.6327000E-01   1.205000
  1 1 1      -6    3   34 o    4.461000      0.4783000       5.332000 0.5728000       3.590000      0.7662000       1.742000      0.9566000
  1 1 1      -6    3   35 o    4.425000      0.4756000       3.650000 0.7765000       5.200000      0.5494000      -1.551000      0.9512000
  1 1 1      -6    3   36 o    2.216000      0.5885000       1.876000 0.8046000       2.556000      0.8590000     -0.6793000       1.177000
  1 1 1      -6    3   37 o    4.179000      0.6469000       4.227000 0.9892000       4.132000      0.8339000      0.9512000E-01   1.294000
  1 1 1      -6    4    1 o    1.184000      0.3532000       1.119000 0.4845000       1.249000      0.5140000     -0.1302000      0.7063000
  1 1 1      -6    4    2 o    10.76000      0.2410000       11.33000 0.3485000       10.19000      0.3329000       1.138000      0.4820000
  1 1 1      -6    4    3 o    17.13000      0.2445000       17.28000 0.3489000       16.97000      0.3427000      0.3087000      0.4891000
  1 1 1      -6    4    4 o    17.74000      0.2541000       17.71000 0.3591000       17.77000      0.3595000     -0.6027000E-01  0.5081000
  1 1 1      -6    4    5 o    19.03000      0.3836000       18.91000 0.5430000       19.14000      0.5420000     -0.2313000      0.7672000
  1 1 1      -6    4    6 o    5.478000      0.2483000       5.458000 0.3656000       5.499000      0.3360000     -0.4114000E-01  0.4966000
  1 1 1      -6    4    7 f    24.29000      0.3381000       24.33000 0.4787000       24.26000      0.4776000      0.6610000E-01  0.6762000
  1 1 1      -6    4    8 o    6.978000      0.1733000       6.770000 0.2479000       7.187000      0.2422000     -0.4171000      0.3466000
  1 1 1      -6    4    9 o    7.660000      0.1787000       7.835000 0.2502000       7.486000      0.2553000      0.3483000      0.3575000
  1 1 1      -6    4   10 o    15.18000      0.2322000       15.78000 0.3350000       14.58000      0.3215000       1.197000      0.4643000
  1 1 1      -6    4   11 o    17.14000      0.2552000       17.20000 0.3593000       17.09000      0.3627000      0.1176000      0.5105000
  1 1 1      -6    4   12 o    19.15000      0.2799000       19.34000 0.3975000       18.95000      0.3943000      0.3933000      0.5599000
  1 1 1      -6    4   13 o    15.05000      0.2364000       14.61000 0.3236000       15.48000      0.3447000     -0.8715000      0.4728000
  1 1 1      -6    4   14 o    8.785000      0.1932000       8.336000 0.2632000       9.233000      0.2828000     -0.8966000      0.3863000
  1 1 1      -6    4   15 o    11.79000      0.2115000       11.61000 0.2901000       11.96000      0.3079000     -0.3546000      0.4230000
  1 1 1      -6    4   16 o    3.186000      0.3494000       3.446000 0.4137000       2.926000      0.5631000      0.5203000      0.6987000
  1 1 1      -6    4   17 o    13.90000      0.2341000       13.99000 0.3258000       13.81000      0.3362000      0.1803000      0.4682000
  1 1 1      -6    4   18 o    5.589000      0.2531000       5.846000 0.3313000       5.333000      0.3829000      0.5128000      0.5063000
  1 1 1      -6    4   19 o    11.43000      0.2266000       11.30000 0.3075000       11.56000      0.3328000     -0.2687000      0.4532000
  1 1 1      -6    4   20 o    3.805000      0.6630000       3.805000 0.6630000                  ?              ?              ?              ?
  1 1 1      -6    4   21 o    6.827000      0.2461000       6.772000 0.3465000       6.882000      0.3495000     -0.1097000      0.4921000
  1 1 1      -6    4   22 o    14.54000      0.3734000                  ?       ?   14.54000      0.3734000                  ?              ?
  1 1 1      -6    4   23 o    9.095000      0.3286000       9.576000 0.4644000       8.614000      0.4649000      0.9615000      0.6571000
  1 1 1      -6    4   24 o    12.37000      0.3032000       12.70000 0.3480000       12.04000      0.4965000      0.6598000      0.6063000
  1 1 1      -6    4   25 o    5.187000      0.2985000       4.972000 0.4548000       5.402000      0.3869000     -0.4291000      0.5971000
  1 1 1      -6    4   26 o    11.18000      0.2404000       11.08000 0.3431000       11.27000      0.3369000     -0.1874000      0.4809000
  1 1 1      -6    4   27 o    2.913000      0.4804000       2.372000 0.7823000       3.453000      0.5579000      -1.080000      0.9609000
  1 1 1      -6    4   28 o    8.308000      0.2565000       8.223000 0.3744000       8.392000      0.3508000     -0.1691000      0.5131000
  1 1 1      -6    4   29 o    3.290000      0.4908000       2.476000 0.8315000       4.103000      0.5218000      -1.627000      0.9817000
  1 1 1      -6    4   30 o    9.832000      0.2594000       9.866000 0.3821000       9.798000      0.3508000      0.6782000E-01  0.5187000
  1 1 1      -6    4   31 o    4.166000      0.4473000       4.454000 0.6309000       3.879000      0.6344000      0.5750000      0.8947000
  1 1 1      -6    4   32 o    4.449000      0.4600000       3.813000 0.7510000       5.084000      0.5315000      -1.272000      0.9201000
  1 1 1      -6    4   33 o    3.190000      0.5637000       2.518000 0.8940000       3.861000      0.6867000      -1.343000       1.127000
  1 1 1      -6    4   34 o    4.909000      0.4347000       4.624000 0.6735000       5.193000      0.5499000     -0.5689000      0.8695000
  1 1 1      -6    4   35 o    4.228000      0.4866000       3.838000 0.7499000       4.618000      0.6202000     -0.7793000      0.9732000
  1 1 1      -6    4   36 o    2.412000      0.9402000       2.412000 0.9402000                  ?              ?              ?              ?
  1 1 1      -6    4   37 o    4.457000      0.6868000       5.018000 0.8751000       3.896000       1.059000       1.123000       1.374000
  1 1 1      -6    5    1 o    25.99000      0.3547000       25.88000 0.4998000       26.10000      0.5035000     -0.2156000      0.7095000
  1 1 1      -6    5    2 o    6.482000      0.1467000       6.488000 0.2082000       6.475000      0.2066000      0.1283000E-01  0.2933000
  1 1 1      -6    5    4 o    8.228000      0.2317000       8.351000 0.3364000       8.104000      0.3186000      0.2478000      0.4633000
  1 1 1      -6    5    5 o    5.879000      0.2052000       6.012000 0.2341000       5.745000      0.3371000      0.2668000      0.4104000
  1 1 1      -6    5    6 o    1.884000      0.3489000       2.014000 0.4896000       1.753000      0.4972000      0.2610000      0.6978000
  1 1 1      -6    5    7 o    19.11000      0.2750000       19.03000 0.3873000       19.20000      0.3904000     -0.1732000      0.5500000
  1 1 1      -6    5    8 o    17.36000      0.2551000       17.01000 0.3550000       17.72000      0.3666000     -0.7082000      0.5103000
  1 1 1      -6    5    9 o    9.699000      0.1855000       9.795000 0.2608000       9.603000      0.2638000      0.1917000      0.3710000
  1 1 1      -6    5   10 o    2.607000      0.3460000       2.604000 0.4762000       2.609000      0.5022000     -0.5831000E-02  0.6921000
  1 1 1      -6    5   11 o    8.324000      0.1891000       8.450000 0.2635000       8.198000      0.2714000      0.2521000      0.3783000
  1 1 1      -6    5   12 o    11.93000      0.2127000       11.80000 0.3033000       12.07000      0.2982000     -0.2652000      0.4254000
  1 1 1      -6    5   13 o    13.76000      0.2237000       13.74000 0.3119000       13.79000      0.3207000     -0.4249000E-01  0.4474000
  1 1 1      -6    5   14 o    11.83000      0.2110000       12.16000 0.2945000       11.50000      0.3023000      0.6567000      0.4220000
  1 1 1      -6    5   15 o    14.53000      0.2371000       14.48000 0.3287000       14.57000      0.3418000     -0.9113000E-01  0.4742000
  1 1 1      -6    5   16 o    4.032000      0.2900000       3.597000 0.4229000       4.466000      0.3971000     -0.8685000      0.5801000
  1 1 1      -6    5   17 o    6.797000      0.2182000       6.830000 0.2895000       6.763000      0.3266000      0.6723000E-01  0.4364000
  1 1 1      -6    5   18 o    3.283000      0.3650000       3.104000 0.5080000       3.463000      0.5243000     -0.3591000      0.7301000
  1 1 1      -6    5   19 o    8.177000      0.3240000       7.991000 0.4220000       8.364000      0.4918000     -0.3734000      0.6480000
  1 1 1      -6    5   20 o    8.064000      0.3180000       8.064000 0.3180000                  ?              ?              ?              ?
  1 1 1      -6    5   21 o    5.153000      0.3011000       5.519000 0.3772000       4.788000      0.4693000      0.7316000      0.6021000
  1 1 1      -6    5   22 f    5.641000      0.5763000                  ?       ?   5.641000      0.5763000                  ?              ?
  1 1 1      -6    5   23 o    7.141000      0.3695000       7.609000 0.5088000       6.673000      0.5360000      0.9361000      0.7390000
  1 1 1      -6    5   24 o    11.41000      0.2452000       11.62000 0.3373000       11.20000      0.3561000      0.4140000      0.4905000
  1 1 1      -6    5   25 o    10.65000      0.2473000       10.80000 0.3396000       10.50000      0.3595000      0.3032000      0.4946000
  1 1 1      -6    5   26 o    12.07000      0.2554000       11.90000 0.3465000       12.23000      0.3752000     -0.3304000      0.5107000
  1 1 1      -6    5   27 o    5.640000      0.3414000       5.299000 0.4902000       5.982000      0.4753000     -0.6833000      0.6828000
  1 1 1      -6    5   28 o    6.886000      0.3064000       6.717000 0.4075000       7.055000      0.4576000     -0.3386000      0.6127000
  1 1 1      -6    5   29 o    6.933000      0.3069000       7.245000 0.4003000       6.621000      0.4652000      0.6242000      0.6138000
  1 1 1      -6    5   30 o    3.588000      0.5460000       4.417000 0.5966000       2.759000      0.9145000       1.658000       1.092000
  1 1 1      -6    5   31 o    7.469000      0.3397000       7.461000 0.4441000       7.476000      0.5142000     -0.1490000E-01  0.6794000
  1 1 1      -6    5   32 o    2.578000      0.6168000       2.167000 0.8378000       2.990000      0.9054000     -0.8229000       1.234000
  1 1 1      -6    5   33 o    5.613000      0.4284000       6.118000 0.4970000       5.108000      0.6981000       1.010000      0.8569000
  1 1 1      -6    5   34 o    1.930000      0.5448000       2.536000 0.8752000       1.325000      0.6491000       1.210000       1.090000
  1 1 1      -6    5   35 o    2.366000      0.6121000       2.189000 0.8474000       2.544000      0.8836000     -0.3555000       1.224000
  1 1 1      -6    5   36 o    2.162000      0.6465000       2.192000 0.9082000       2.132000      0.9205000      0.6074000E-01   1.293000
  1 1 1      -6    6    1 o    16.18000      0.3290000       15.92000 0.4608000       16.44000      0.4698000     -0.5127000      0.6581000
  1 1 1      -6    6    2 o    25.52000      0.4962000       26.05000 0.7164000       24.99000      0.6868000       1.065000      0.9924000
  1 1 1      -6    6    3 o    30.77000      0.5929000       31.10000 0.8479000       30.44000      0.8290000      0.6657000       1.186000
  1 1 1      -6    6    4 o    12.14000      0.1916000       12.12000 0.2713000       12.16000      0.2705000     -0.4110000E-01  0.3831000
  1 1 1      -6    6    5 o    12.55000      0.1980000       12.64000 0.2808000       12.47000      0.2793000      0.1760000      0.3961000
  1 1 1      -6    6    6 o    8.392000      0.1736000       8.414000 0.2476000       8.370000      0.2433000      0.4460000E-01  0.3471000
  1 1 1      -6    6    7 o    4.979000      0.1933000       4.788000 0.2833000       5.169000      0.2629000     -0.3803000      0.3865000
  1 1 1      -6    6    8 f    21.98000      0.3108000       21.88000 0.4381000       22.08000      0.4410000     -0.1920000      0.6216000
  1 1 1      -6    6    9 o    5.464000      0.1949000       5.588000 0.2757000       5.341000      0.2754000      0.2476000      0.3897000
  1 1 1      -6    6   10 f    6.982000      0.1873000       6.929000 0.2609000       7.034000      0.2689000     -0.1055000      0.3747000
  1 1 1      -6    6   11 o    14.82000      0.2343000       14.72000 0.3291000       14.93000      0.3337000     -0.2152000      0.4686000
  1 1 1      -6    6   12 o    9.725000      0.1989000       10.19000 0.2799000       9.264000      0.2827000      0.9222000      0.3978000
  1 1 1      -6    6   13 o    9.592000      0.2016000       9.552000 0.2833000       9.632000      0.2868000     -0.7984000E-01  0.4031000
  1 1 1      -6    6   14 o    8.574000      0.2030000       8.471000 0.2832000       8.676000      0.2908000     -0.2048000      0.4059000
  1 1 1      -6    6   15 o    3.458000      0.3426000       3.853000 0.3854000       3.062000      0.5665000      0.7911000      0.6852000
  1 1 1      -6    6   16 o    3.636000      0.3103000       3.495000 0.4132000       3.776000      0.4631000     -0.2814000      0.6206000
  1 1 1      -6    6   17 o    9.622000      0.2135000       9.631000 0.2885000       9.613000      0.3149000      0.1803000E-01  0.4271000
  1 1 1      -6    6   18 o    5.455000      0.3658000       5.060000 0.4689000       5.851000      0.5616000     -0.7914000      0.7316000
  1 1 1      -6    6   19 o    5.350000      0.2750000       5.257000 0.3582000       5.443000      0.4175000     -0.1858000      0.5501000
  1 1 1      -6    6   20 o    7.483000      0.2389000       7.924000 0.3139000       7.041000      0.3603000      0.8831000      0.4779000
  1 1 1      -6    6   21 o    18.72000      0.4137000       19.46000 0.5986000       17.98000      0.5713000       1.476000      0.8275000
  1 1 1      -6    6   22 o    5.134000      0.3683000       4.700000 0.4886000       5.567000      0.5513000     -0.8673000      0.7367000
  1 1 1      -6    6   23 o    9.817000      0.2403000       9.704000 0.3342000       9.930000      0.3454000     -0.2263000      0.4806000
  1 1 1      -6    6   24 o    7.316000      0.2720000       7.302000 0.3689000       7.330000      0.3998000     -0.2814000E-01  0.5440000
  1 1 1      -6    6   25 o    8.881000      0.3176000       9.362000 0.4973000       8.399000      0.3951000      0.9628000      0.6351000
  1 1 1      -6    6   26 o    4.902000      0.3674000       4.121000 0.5333000       5.683000      0.5055000      -1.562000      0.7348000
  1 1 1      -6    6   27 o    7.341000      0.2935000       7.511000 0.3806000       7.172000      0.4470000      0.3392000      0.5871000
  1 1 1      -6    6   28 o    2.036000      0.5693000       2.030000 0.7966000       2.043000      0.8134000     -0.1298000E-01   1.139000
  1 1 1      -6    6   29 o    4.426000      0.4503000       4.527000 0.5653000       4.325000      0.7010000      0.2020000      0.9005000
  1 1 1      -6    6   30 o    2.262000      0.6064000       2.548000 0.8598000       1.975000      0.8554000      0.5727000       1.213000
  1 1 1      -6    6   31 o    5.050000      0.4358000       4.884000 0.5729000       5.215000      0.6568000     -0.3309000      0.8716000
  1 1 1      -6    6   32 o    2.289000      0.6018000       1.648000 0.7369000       2.930000      0.9518000      -1.282000       1.204000
  1 1 1      -6    6   33 o    5.046000      0.4563000       5.638000 0.5149000       4.454000      0.7534000       1.183000      0.9125000
  1 1 1      -6    6   34 o    1.803000      0.5483000       2.119000 0.8412000       1.487000      0.7035000      0.6324000       1.097000
  1 1 1      -6    6   35 o    3.524000      0.7020000       3.229000 1.034000       3.819000      0.9493000     -0.5901000       1.404000
  1 1 1      -6    6   36 o    1.838000      0.5509000       1.596000 0.7220000       2.079000      0.8322000     -0.4826000       1.102000
  1 1 1      -6    7    1 o    20.79000      0.2880000       20.72000 0.4066000       20.86000      0.4081000     -0.1371000      0.5761000
  1 1 1      -6    7    2 o    30.00000      0.4080000       30.12000 0.5793000       29.89000      0.5747000      0.2390000      0.8160000
  1 1 1      -6    7    3 o    17.12000      0.2457000       17.18000 0.3489000       17.05000      0.3460000      0.1307000      0.4914000
  1 1 1      -6    7    4 o    5.181000      0.1735000       5.150000 0.2484000       5.212000      0.2422000     -0.6215000E-01  0.3469000
  1 1 1      -6    7    5 o    8.309000      0.1676000       8.250000 0.2374000       8.368000      0.2365000     -0.1179000      0.3351000
  1 1 1      -6    7    6 o    15.59000      0.2337000       15.51000 0.3309000       15.67000      0.3302000     -0.1578000      0.4674000
  1 1 1      -6    7    7 o    14.29000      0.2209000       14.30000 0.3129000       14.28000      0.3119000      0.1166000E-01  0.4418000
  1 1 1      -6    7    8 o    9.202000      0.1842000       9.209000 0.2578000       9.194000      0.2631000      0.1458000E-01  0.3684000
  1 1 1      -6    7    9 o    12.40000      0.2069000       12.68000 0.2958000       12.12000      0.2894000      0.5642000      0.4138000
  1 1 1      -6    7   10 o    13.95000      0.2232000       14.05000 0.3170000       13.85000      0.3142000      0.1980000      0.4463000
  1 1 1      -6    7   11 o    4.389000      0.2417000       4.374000 0.3507000       4.404000      0.3328000     -0.3036000E-01  0.4835000
  1 1 1      -6    7   12 o    15.30000      0.2403000       15.07000 0.3365000       15.53000      0.3432000     -0.4637000      0.4806000
  1 1 1      -6    7   13 o    11.41000      0.2118000       11.35000 0.2997000       11.47000      0.2995000     -0.1187000      0.4237000
  1 1 1      -6    7   14 o    1.663000      0.4447000       1.554000 0.6069000       1.772000      0.6502000     -0.2184000      0.8894000
  1 1 1      -6    7   15 o    3.880000      0.3205000       3.841000 0.4487000       3.920000      0.4578000     -0.7840000E-01  0.6410000
  1 1 1      -6    7   16 o    2.900000      0.5428000       2.661000 0.7232000       3.138000      0.8095000     -0.4771000       1.086000
  1 1 1      -6    7   17 o    9.895000      0.3072000       9.961000 0.4113000       9.829000      0.4565000      0.1324000      0.6145000
  1 1 1      -6    7   18 o    3.046000      0.4094000       2.931000 0.5602000       3.161000      0.5971000     -0.2297000      0.8187000
  1 1 1      -6    7   19 o    13.42000      0.2402000       13.44000 0.3327000       13.40000      0.3466000      0.4819000E-01  0.4804000
  1 1 1      -6    7   20 o    8.468000      0.3261000       8.750000 0.4623000       8.186000      0.4602000      0.5637000      0.6523000
  1 1 1      -6    7   21 o    16.65000      0.2727000       17.09000 0.3861000       16.21000      0.3852000      0.8804000      0.5454000
  1 1 1      -6    7   22 o    7.415000      0.2452000       7.218000 0.3360000       7.612000      0.3573000     -0.3940000      0.4905000
  1 1 1      -6    7   23 o    12.17000      0.2451000       12.24000 0.3393000       12.10000      0.3539000      0.1401000      0.4902000
  1 1 1      -6    7   24 o    4.572000      0.3569000       4.420000 0.5108000       4.724000      0.4985000     -0.3042000      0.7137000
  1 1 1      -6    7   25 o    3.748000      0.4511000       2.917000 0.7091000       4.579000      0.5577000      -1.661000      0.9021000
  1 1 1      -6    7   26 o    5.458000      0.3318000       5.121000 0.4562000       5.795000      0.4818000     -0.6741000      0.6636000
  1 1 1      -6    7   27 o    6.193000      0.3153000       6.392000 0.4109000       5.995000      0.4784000      0.3970000      0.6306000
  1 1 1      -6    7   28 o    2.347000      0.5607000       1.654000 0.7147000       3.040000      0.8641000      -1.386000       1.121000
  1 1 1      -6    7   29 o    2.076000      0.5659000       1.782000 0.7471000       2.371000      0.8501000     -0.5892000       1.132000
  1 1 1      -6    7   30 o    5.934000      0.3675000       5.312000 0.5233000       6.555000      0.5161000      -1.243000      0.7350000
  1 1 1      -6    7   31 o    2.519000      0.6052000       2.734000 0.7981000       2.303000      0.9101000      0.4310000       1.210000
  1 1 1      -6    7   32 o    5.082000      0.4581000       4.965000 0.6077000       5.198000      0.6857000     -0.2331000      0.9162000
  1 1 1      -6    7   33 o    4.029000      0.5346000       3.832000 0.7353000       4.226000      0.7763000     -0.3941000       1.069000
  1 1 1      -6    7   34 o    2.867000      0.7416000       3.223000 1.055000       2.512000       1.043000      0.7105000       1.483000
  1 1 1      -6    7   35 o    2.591000      0.6215000       2.396000 0.8977000       2.786000      0.8597000     -0.3906000       1.243000
  1 1 1      -6    7   36 f    3.717000      0.5500000       4.133000 0.7027000       3.301000      0.8464000      0.8320000       1.100000
  1 1 1      -6    8    1 o    19.44000      0.2718000       19.61000 0.3872000       19.27000      0.3815000      0.3358000      0.5435000
  1 1 1      -6    8    2 o    12.22000      0.1893000       12.29000 0.2710000       12.16000      0.2643000      0.1370000      0.3785000
  1 1 1      -6    8    3 o    26.42000      0.3622000       26.76000 0.5186000       26.08000      0.5058000      0.6716000      0.7244000
  1 1 1      -6    8    4 o    10.67000      0.1797000       10.82000 0.2572000       10.52000      0.2510000      0.2993000      0.3593000
  1 1 1      -6    8    5 o    29.57000      0.4044000       29.98000 0.5798000       29.16000      0.5639000      0.8186000      0.8088000
  1 1 1      -6    8    6 o    17.93000      0.2609000       18.42000 0.3780000       17.44000      0.3598000      0.9793000      0.5218000
  1 1 1      -6    8    7 o    3.686000      0.2337000       3.294000 0.3582000       4.077000      0.3003000     -0.7821000      0.4674000
  1 1 1      -6    8    8 o    2.287000      0.3710000       2.288000 0.5306000       2.286000      0.5187000      0.2353000E-02  0.7420000
  1 1 1      -6    8    9 o    16.91000      0.2531000       16.99000 0.3594000       16.84000      0.3564000      0.1578000      0.5061000
  1 1 1      -6    8   10 o    10.29000      0.1946000       10.37000 0.2750000       10.21000      0.2754000      0.1642000      0.3892000
  1 1 1      -6    8   11 o    1.377000      0.3977000       1.364000 0.5644000       1.389000      0.5606000     -0.2475000E-01  0.7955000
  1 1 1      -6    8   12 o    4.197000      0.2622000       4.037000 0.3767000       4.357000      0.3649000     -0.3204000      0.5244000
  1 1 1      -6    8   13 o    3.014000      0.3585000       2.831000 0.5255000       3.198000      0.4877000     -0.3671000      0.7169000
  1 1 1      -6    8   14 o    4.197000      0.2791000       4.349000 0.3881000       4.045000      0.4011000      0.3047000      0.5581000
  1 1 1      -6    8   15 o    8.903000      0.2912000       8.613000 0.3777000       9.194000      0.4433000     -0.5805000      0.5824000
  1 1 1      -6    8   16 o    5.753000      0.3548000       6.295000 0.4388000       5.211000      0.5576000       1.084000      0.7096000
  1 1 1      -6    8   17 o    4.746000      0.2875000       5.159000 0.3818000       4.333000      0.4301000      0.8265000      0.5751000
  1 1 1      -6    8   18 o    3.712000      0.3594000       3.957000 0.4294000       3.467000      0.5764000      0.4901000      0.7188000
  1 1 1      -6    8   19 o    8.674000      0.3555000       8.754000 0.5282000       8.593000      0.4759000      0.1618000      0.7110000
  1 1 1      -6    8   20 o    9.417000      0.2329000       9.341000 0.3176000       9.494000      0.3406000     -0.1533000      0.4657000
  1 1 1      -6    8   21 o    1.846000      0.4963000       2.173000 0.7223000       1.519000      0.6808000      0.6540000      0.9926000
  1 1 1      -6    8   22 o    8.951000      0.2437000       9.382000 0.3241000       8.520000      0.3641000      0.8621000      0.4875000
  1 1 1      -6    8   23 o    6.872000      0.2736000       6.888000 0.3690000       6.857000      0.4040000      0.3061000E-01  0.5472000
  1 1 1      -6    8   24 o    14.02000      0.2594000       14.01000 0.3583000       14.04000      0.3753000     -0.2478000E-01  0.5188000
  1 1 1      -6    8   25 o    1.750000      0.5211000       1.709000 0.7207000       1.791000      0.7527000     -0.8140000E-01   1.042000
  1 1 1      -6    8   26 o    3.257000      0.4975000       3.453000 0.6028000       3.062000      0.7916000      0.3915000      0.9950000
  1 1 1      -6    8   27 o    5.397000      0.3652000       5.607000 0.4588000       5.186000      0.5685000      0.4202000      0.7305000
  1 1 1      -6    8   28 o    5.229000      0.4004000       5.851000 0.4339000       4.608000      0.6731000       1.243000      0.8008000
  1 1 1      -6    8   29 o    3.648000      0.5389000       3.260000 0.7646000       4.036000      0.7597000     -0.7763000       1.078000
  1 1 1      -6    8   30 o    3.962000      0.5300000       3.717000 0.7258000       4.207000      0.7727000     -0.4900000       1.060000
  1 1 1      -6    8   31 o    2.132000      0.6037000       1.776000 0.7562000       2.487000      0.9414000     -0.7106000       1.207000
  1 1 1      -6    8   32 f    8.230000      0.3187000       7.910000 0.4314000       8.550000      0.4693000     -0.6405000      0.6374000
  1 1 1      -6    8   33 o    4.370000      0.6857000       5.303000 0.7356000       3.436000       1.157000       1.867000       1.371000
  1 1 1      -6    8   34 o    2.225000      0.6166000       2.317000 0.8771000       2.134000      0.8668000      0.1830000       1.233000
  1 1 1      -6    8   35 f    2.956000      0.6140000       3.088000 0.8692000       2.825000      0.8676000      0.2629000       1.228000
  1 1 1      -6    9    1 o    15.72000      0.2270000       15.94000 0.3260000       15.50000      0.3160000      0.4395000      0.4541000
  1 1 1      -6    9    2 o    15.17000      0.2212000       15.22000 0.3139000       15.12000      0.3117000      0.9374000E-01  0.4424000
  1 1 1      -6    9    3 o    12.83000      0.1974000       12.84000 0.2812000       12.82000      0.2772000      0.1137000E-01  0.3949000
  1 1 1      -6    9    4 o    4.310000      0.1923000       4.437000 0.2673000       4.182000      0.2765000      0.2558000      0.3846000
  1 1 1      -6    9    5 o    7.049000      0.1678000       7.032000 0.2390000       7.065000      0.2355000     -0.3330000E-01  0.3355000
  1 1 1      -6    9    6 o    6.667000      0.1731000       6.811000 0.2442000       6.524000      0.2452000      0.2870000      0.3461000
  1 1 1      -6    9    7 o    7.612000      0.1749000       7.440000 0.2457000       7.785000      0.2491000     -0.3444000      0.3498000
  1 1 1      -6    9    8 o    9.810000      0.1857000       9.980000 0.2662000       9.640000      0.2590000      0.3398000      0.3714000
  1 1 1      -6    9    9 o    17.33000      0.2576000       17.62000 0.3694000       17.03000      0.3590000      0.5943000      0.5151000
  1 1 1      -6    9   10 f    5.011000      0.2239000       5.432000 0.3091000       4.589000      0.3241000      0.8437000      0.4478000
  1 1 1      -6    9   11 o    6.359000      0.2033000       6.092000 0.2924000       6.625000      0.2826000     -0.5327000      0.4067000
  1 1 1      -6    9   12 o    1.822000      0.4349000       1.517000 0.6033000       2.128000      0.6266000     -0.6116000      0.8698000
  1 1 1      -6    9   13 f    9.406000      0.2760000       9.432000 0.3763000       9.379000      0.4039000      0.5324000E-01  0.5521000
  1 1 1      -6    9   14 o    7.300000      0.2924000       6.948000 0.3998000       7.652000      0.4267000     -0.7040000      0.5847000
  1 1 1      -6    9   15 o    7.775000      0.2644000       7.305000 0.3049000       8.245000      0.4320000     -0.9393000      0.5288000
  1 1 1      -6    9   16 o    5.871000      0.2489000       5.874000 0.3502000       5.868000      0.3538000      0.6569000E-02  0.4978000
  1 1 1      -6    9   17 o    2.315000      0.5930000       2.164000 0.8805000       2.467000      0.7946000     -0.3027000       1.186000
  1 1 1      -6    9   18 o    5.219000      0.4174000       4.996000 0.6542000       5.443000      0.5187000     -0.4462000      0.8349000
  1 1 1      -6    9   19 o    6.318000      0.2652000       6.257000 0.3840000       6.379000      0.3660000     -0.1215000      0.5305000
  1 1 1      -6    9   20 o    8.677000      0.2440000       8.508000 0.3475000       8.845000      0.3427000     -0.3371000      0.4881000
  1 1 1      -6    9   21 o    9.424000      0.3504000       9.424000 0.3504000                  ?              ?              ?              ?
  1 1 1      -6    9   22 o    2.295000      0.5388000       2.240000 0.7363000       2.350000      0.7869000     -0.1101000       1.078000
  1 1 1      -6    9   23 o    6.499000      0.4171000                  ?       ?   6.499000      0.4171000                  ?              ?
  1 1 1      -6    9   24 o    4.979000      0.3315000       5.026000 0.4422000       4.932000      0.4938000      0.9422000E-01  0.6629000
  1 1 1      -6    9   25 o    10.31000      0.2500000       10.47000 0.3369000       10.16000      0.3694000      0.3094000      0.4999000
  1 1 1      -6    9   26 o    8.166000      0.2656000       8.016000 0.3583000       8.315000      0.3923000     -0.2991000      0.5313000
  1 1 1      -6    9   27 o    9.614000      0.2699000       9.920000 0.3532000       9.308000      0.4082000      0.6114000      0.5398000
  1 1 1      -6    9   28 o    8.389000      0.2917000       8.374000 0.3889000       8.403000      0.4347000     -0.2863000E-01  0.5833000
  1 1 1      -6    9   29 o    3.266000      0.5763000       3.184000 0.8116000       3.347000      0.8185000     -0.1632000       1.153000
  1 1 1      -6    9   30 o    4.672000      0.4638000       4.395000 0.6503000       4.948000      0.6614000     -0.5534000      0.9275000
  1 1 1      -6    9   31 o    3.482000      0.6050000       3.150000 0.8124000       3.815000      0.8966000     -0.6642000       1.210000
  1 1 1      -6    9   32 o    4.381000      0.6678000       5.655000 0.7027000       3.106000       1.136000       2.548000       1.336000
  1 1 1      -6    9   33 o    4.767000      0.4771000       5.090000 0.5740000       4.444000      0.7622000      0.6460000      0.9542000
  1 1 1      -6    9   34 o    3.036000      0.6053000       2.867000 0.8709000       3.205000      0.8410000     -0.3372000       1.211000
  1 1 1      -6    9   35 o    2.815000      0.7633000       2.791000 1.095000       2.839000       1.063000     -0.4840000E-01   1.527000
  1 1 1      -6   10    1 o    9.718000      0.1671000       9.701000 0.2382000       9.736000      0.2343000     -0.3553000E-01  0.3341000
  1 1 1      -6   10    2 o    17.98000      0.2557000       18.14000 0.3654000       17.82000      0.3578000      0.3161000      0.5114000
  1 1 1      -6   10    3 o    10.08000      0.1724000       10.26000 0.2475000       9.909000      0.2401000      0.3514000      0.3448000
  1 1 1      -6   10    4 o    8.239000      0.1643000       8.320000 0.2336000       8.157000      0.2310000      0.1636000      0.3285000
  1 1 1      -6   10    5 o    6.614000      0.1657000       6.411000 0.2366000       6.816000      0.2321000     -0.4049000      0.3314000
  1 1 1      -6   10    6 o    15.59000      0.2329000       15.48000 0.3271000       15.71000      0.3317000     -0.2285000      0.4659000
  1 1 1      -6   10    7 o    10.29000      0.1854000       10.23000 0.2620000       10.35000      0.2625000     -0.1271000      0.3709000
  1 1 1      -6   10    8 o    6.184000      0.1887000       6.242000 0.2663000       6.126000      0.2673000      0.1156000      0.3774000
  1 1 1      -6   10    9 o    11.26000      0.1993000       11.30000 0.2838000       11.22000      0.2799000      0.7746000E-01  0.3986000
  1 1 1      -6   10   10 o    7.283000      0.2333000       7.334000 0.2708000       7.232000      0.3800000      0.1022000      0.4666000
  1 1 1      -6   10   11 o    10.24000      0.2017000       10.40000 0.2855000       10.09000      0.2849000      0.3081000      0.4034000
  1 1 1      -6   10   12 o    12.74000      0.3031000       12.53000 0.4151000       12.95000      0.4418000     -0.4229000      0.6063000
  1 1 1      -6   10   13 o    7.683000      0.2767000       7.959000 0.3747000       7.407000      0.4072000      0.5516000      0.5534000
  1 1 1      -6   10   14 o    5.043000      0.2641000       5.095000 0.3688000       4.992000      0.3783000      0.1029000      0.5283000
  1 1 1      -6   10   15 o    9.641000      0.2819000       9.917000 0.4823000       9.365000      0.2919000      0.5522000      0.5637000
  1 1 1      -6   10   16 o    6.060000      0.3791000       6.143000 0.5665000       5.976000      0.5040000      0.1669000      0.7583000
  1 1 1      -6   10   17 o    13.72000      0.2453000       13.59000 0.3476000       13.84000      0.3462000     -0.2549000      0.4906000
  1 1 1      -6   10   18 o    3.966000      0.3443000       3.999000 0.4719000       3.933000      0.5016000      0.6609000E-01  0.6887000
  1 1 1      -6   10   19 o    2.751000      0.4555000       3.513000 0.5629000       1.988000      0.7163000       1.525000      0.9110000
  1 1 1      -6   10   20 o    3.872000      0.4145000       4.435000 0.4697000       3.308000      0.6830000       1.128000      0.8289000
  1 1 1      -6   10   21 o    9.572000      0.3500000       9.572000 0.3500000                  ?              ?              ?              ?
  1 1 1      -6   10   22 o    3.588000      0.4704000       3.053000 0.7254000       4.123000      0.5990000      -1.070000      0.9407000
  1 1 1      -6   10   23 o    9.015000      0.3778000                  ?       ?   9.015000      0.3778000                  ?              ?
  1 1 1      -6   10   24 o    4.825000      0.3753000       5.348000 0.4467000       4.303000      0.6033000       1.045000      0.7507000
  1 1 1      -6   10   25 o    10.53000      0.2552000       10.72000 0.3458000       10.33000      0.3753000      0.3905000      0.5103000
  1 1 1      -6   10   26 o    10.31000      0.2564000       9.951000 0.3498000       10.67000      0.3749000     -0.7143000      0.5128000
  1 1 1      -6   10   27 o    8.171000      0.2785000       7.589000 0.3811000       8.753000      0.4063000      -1.163000      0.5571000
  1 1 1      -6   10   28 o    2.994000      0.5932000       3.190000 0.7554000       2.798000      0.9147000      0.3921000       1.186000
  1 1 1      -6   10   29 o    4.566000      0.4710000       4.517000 0.6171000       4.615000      0.7118000     -0.9788000E-01  0.9421000
  1 1 1      -6   10   30 o    3.352000      0.5829000       2.636000 0.8622000       4.067000      0.7845000      -1.430000       1.166000
  1 1 1      -6   10   31 o    2.761000      0.7372000       2.797000 0.9773000       2.725000       1.104000      0.7177000E-01   1.474000
  1 1 1      -6   10   32 o    3.793000      0.5707000       3.998000 0.6918000       3.588000      0.9078000      0.4102000       1.141000
  1 1 1      -6   10   33 o    2.362000      0.5902000       2.869000 0.8514000       1.854000      0.8176000       1.016000       1.180000
  1 1 1      -6   10   34 o    3.765000      0.7573000       3.274000 1.113000       4.256000       1.027000     -0.9815000       1.515000
  1 1 1      -6   10   35 o    2.909000      0.6653000       3.858000 1.049000       1.960000      0.8190000       1.898000       1.331000
  1 1 1      -6   11    1 o    8.103000      0.1661000       8.126000 0.2424000       8.079000      0.2273000      0.4675000E-01  0.3323000
  1 1 1      -6   11    2 o    10.39000      0.1759000       10.11000 0.2480000       10.68000      0.2496000     -0.5762000      0.3519000
  1 1 1      -6   11    3 o    9.349000      0.1710000       9.121000 0.2439000       9.577000      0.2397000     -0.4558000      0.3420000
  1 1 1      -6   11    4 o    3.535000      0.2321000       3.588000 0.3284000       3.483000      0.3282000      0.1054000      0.4643000
  1 1 1      -6   11    5 o    3.943000      0.2181000       4.050000 0.3008000       3.835000      0.3158000      0.2154000      0.4362000
  1 1 1      -6   11    6 o    5.901000      0.1804000       5.869000 0.2580000       5.933000      0.2522000     -0.6493000E-01  0.3608000
  1 1 1      -6   11    7 f    3.224000      0.2798000       3.198000 0.4043000       3.250000      0.3870000     -0.5198000E-01  0.5597000
  1 1 1      -6   11    8 o    7.398000      0.1870000       7.330000 0.2688000       7.467000      0.2600000     -0.1362000      0.3740000
  1 1 1      -6   11    9 o    3.039000      0.3927000       3.100000 0.4458000       2.979000      0.6465000      0.1207000      0.7853000
  1 1 1      -6   11   10 o    14.28000      0.3161000       14.29000 0.4419000       14.27000      0.4523000      0.1784000E-01  0.6323000
  1 1 1      -6   11   11 o    4.594000      0.2734000       5.021000 0.4268000       4.167000      0.3419000      0.8535000      0.5469000
  1 1 1      -6   11   12 o    11.99000      0.2168000       11.82000 0.3074000       12.15000      0.3057000     -0.3322000      0.4336000
  1 1 1      -6   11   13 o    5.892000      0.2357000       5.430000 0.3582000       6.354000      0.3064000     -0.9235000      0.4714000
  1 1 1      -6   11   14 o    2.000000      0.5639000       2.187000 0.8627000       1.814000      0.7264000      0.3731000       1.128000
  1 1 1      -6   11   15 o    10.13000      0.2649000       10.01000 0.3112000       10.24000      0.4288000     -0.2324000      0.5299000
  1 1 1      -6   11   16 o    4.879000      0.3010000       5.061000 0.4142000       4.697000      0.4369000      0.3636000      0.6020000
  1 1 1      -6   11   17 o    6.587000      0.2454000       6.729000 0.3381000       6.445000      0.3557000      0.2840000      0.4908000
  1 1 1      -6   11   18 o    3.499000      0.4101000       3.480000 0.5911000       3.517000      0.5685000     -0.3782000E-01  0.8202000
  1 1 1      -6   11   19 o    6.381000      0.2651000       6.141000 0.3696000       6.620000      0.3801000     -0.4795000      0.5301000
  1 1 1      -6   11   20 o    12.65000      0.2479000       12.57000 0.3496000       12.72000      0.3516000     -0.1491000      0.4959000
  1 1 1      -6   11   21 o    1.758000      0.5126000       1.732000 0.7053000       1.784000      0.7440000     -0.5142000E-01   1.025000
  1 1 1      -6   11   22 o    5.740000      0.3137000       5.536000 0.4365000       5.944000      0.4506000     -0.4088000      0.6274000
  1 1 1      -6   11   23 o    8.376000      0.2722000       8.501000 0.3765000       8.251000      0.3932000      0.2502000      0.5444000
  1 1 1      -6   11   24 o    3.747000      0.5026000       3.895000 0.6800000       3.598000      0.7402000      0.2971000       1.005000
  1 1 1      -6   11   25 o    7.462000      0.3288000       7.681000 0.4848000       7.244000      0.4442000      0.4372000      0.6575000
  1 1 1      -6   11   26 o    4.413000      0.4283000       4.655000 0.5195000       4.171000      0.6811000      0.4835000      0.8566000
  1 1 1      -6   11   27 o    2.564000      0.6078000       2.326000 0.8126000       2.802000      0.9040000     -0.4761000       1.216000
  1 1 1      -6   11   28 o    8.695000      0.2966000       8.590000 0.3995000       8.801000      0.4386000     -0.2110000      0.5933000
  1 1 1      -6   11   30 o    3.837000      0.7197000       3.113000 1.002000       4.560000       1.034000      -1.448000       1.439000
  1 1 1      -6   11   31 o    3.223000      0.6148000       3.479000 0.7788000       2.966000      0.9516000      0.5127000       1.230000
  1 1 1      -6   11   32 o    1.749000      0.5435000       1.649000 0.7174000       1.848000      0.8166000     -0.1989000       1.087000
  1 1 1      -6   11   33 o    2.715000      0.7510000       2.441000 1.027000       2.989000       1.096000     -0.5478000       1.502000
  1 1 1      -6   11   34 o    3.574000      0.5939000       3.628000 0.8005000       3.520000      0.8776000      0.1085000       1.188000
  1 1 1      -6   12    1 o    3.646000      0.2561000       3.344000 0.4158000       3.948000      0.2989000     -0.6035000      0.5121000
  1 1 1      -6   12    2 o    5.268000      0.1883000       5.244000 0.2813000       5.292000      0.2503000     -0.4723000E-01  0.3766000
  1 1 1      -6   12    3 o    3.903000      0.2251000       3.841000 0.3321000       3.964000      0.3038000     -0.1226000      0.4501000
  1 1 1      -6   12    4 o    3.429000      0.2460000       3.384000 0.3675000       3.474000      0.3271000     -0.9036000E-01  0.4920000
  1 1 1      -6   12    5 o    7.202000      0.1738000       7.375000 0.2490000       7.028000      0.2426000      0.3471000      0.3476000
  1 1 1      -6   12    6 o    5.418000      0.1880000       5.730000 0.2636000       5.105000      0.2681000      0.6252000      0.3760000
  1 1 1      -6   12    7 f    5.839000      0.2583000       5.971000 0.3452000       5.708000      0.3842000      0.2627000      0.5165000
  1 1 1      -6   12    8 o    6.363000      0.2638000       6.615000 0.3583000       6.111000      0.3873000      0.5039000      0.5276000
  1 1 1      -6   12    9 o    7.068000      0.1934000       7.135000 0.2750000       7.001000      0.2721000      0.1341000      0.3868000
  1 1 1      -6   12   10 o    7.731000      0.1951000       8.016000 0.2766000       7.445000      0.2753000      0.5706000      0.3902000
  1 1 1      -6   12   11 o    2.654000      0.4073000       2.858000 0.5444000       2.449000      0.6061000      0.4089000      0.8147000
  1 1 1      -6   12   12 o    8.457000      0.2997000       8.682000 0.4526000       8.232000      0.3931000      0.4505000      0.5995000
  1 1 1      -6   12   13 o    4.851000      0.3931000       5.102000 0.6008000       4.600000      0.5071000      0.5016000      0.7862000
  1 1 1      -6   12   14 o    4.716000      0.2819000       4.503000 0.4116000       4.928000      0.3853000     -0.4247000      0.5638000
  1 1 1      -6   12   15 f    9.799000      0.2198000       9.781000 0.3156000       9.818000      0.3060000     -0.3700000E-01  0.4396000
  1 1 1      -6   12   16 o    4.735000      0.2990000       4.485000 0.4565000       4.986000      0.3861000     -0.5006000      0.5979000
  1 1 1      -6   12   17 o    2.719000      0.4702000       2.680000 0.6455000       2.759000      0.6839000     -0.7910000E-01  0.9404000
  1 1 1      -6   12   18 o    6.612000      0.2539000       6.341000 0.3755000       6.882000      0.3419000     -0.5412000      0.5078000
  1 1 1      -6   12   19 o    7.172000      0.2498000       7.142000 0.3504000       7.202000      0.3562000     -0.5994000E-01  0.4996000
  1 1 1      -6   12   20 o    13.57000      0.2527000       13.65000 0.3595000       13.49000      0.3552000      0.1567000      0.5054000
  1 1 1      -6   12   21 o    4.197000      0.3887000       3.950000 0.5376000       4.444000      0.5616000     -0.4939000      0.7774000
  1 1 1      -6   12   22 o    5.861000      0.3240000       5.791000 0.4591000       5.931000      0.4574000     -0.1394000      0.6481000
  1 1 1      -6   12   23 o    10.45000      0.2619000       10.18000 0.3720000       10.72000      0.3689000     -0.5491000      0.5239000
  1 1 1      -6   12   24 o    7.227000      0.3056000       7.151000 0.4211000       7.303000      0.4428000     -0.1514000      0.6111000
  1 1 1      -6   12   25 o    4.677000      0.4383000       5.171000 0.5560000       4.184000      0.6777000      0.9872000      0.8766000
  1 1 1      -6   12   26 o    9.106000      0.2859000       8.704000 0.4095000       9.508000      0.3990000     -0.8045000      0.5717000
  1 1 1      -6   12   27 o    2.405000      0.6331000       2.353000 0.9198000       2.458000      0.8703000     -0.1044000       1.266000
  1 1 1      -6   12   28 o    7.923000      0.4341000       8.037000 0.5283000       7.809000      0.6890000      0.2282000      0.8682000
  1 1 1      -6   12   29 o    2.166000      0.6286000       2.193000 0.9097000       2.138000      0.8678000      0.5501000E-01   1.257000
  1 1 1      -6   12   30 o    2.609000      0.6277000       2.170000 0.8369000       3.048000      0.9358000     -0.8778000       1.255000
  1 1 1      -6   12   31 o    2.522000      0.7006000       3.033000 1.059000       2.012000      0.9172000       1.021000       1.401000
  1 1 1      -6   12   32 o    2.543000      0.7022000       2.977000 1.061000       2.110000      0.9203000      0.8667000       1.404000
  1 1 1      -6   12   33 o    3.083000      0.5955000       3.879000 0.7660000       2.287000      0.9120000       1.592000       1.191000
  1 1 1      -6   12   34 o    2.520000      0.6830000       2.783000 1.045000       2.256000      0.8797000      0.5272000       1.366000
  1 1 1      -6   13    1 o    8.565000      0.1832000       8.403000 0.2678000       8.727000      0.2501000     -0.3244000      0.3664000
  1 1 1      -6   13    2 o    7.802000      0.1848000       8.011000 0.2718000       7.593000      0.2506000      0.4181000      0.3696000
  1 1 1      -6   13    3 o    4.899000      0.2120000       4.530000 0.3293000       5.269000      0.2669000     -0.7392000      0.4239000
  1 1 1      -6   13    4 o    2.461000      0.4619000       1.988000 0.6772000       2.934000      0.6283000     -0.9462000      0.9238000
  1 1 1      -6   13    5 o    2.958000      0.4360000       3.127000 0.6041000       2.789000      0.6288000      0.3381000      0.8720000
  1 1 1      -6   13    6 o    7.015000      0.2609000       7.296000 0.3624000       6.734000      0.3753000      0.5623000      0.5217000
  1 1 1      -6   13    7 o    8.637000      0.1854000       8.572000 0.2638000       8.703000      0.2606000     -0.1318000      0.3708000
  1 1 1      -6   13    8 o    5.448000      0.2078000       5.386000 0.3010000       5.511000      0.2866000     -0.1243000      0.4156000
  1 1 1      -6   13    9 o    5.056000      0.3394000       4.990000 0.5327000       5.123000      0.4208000     -0.1332000      0.6789000
  1 1 1      -6   13   10 o    4.654000      0.3724000       4.940000 0.5485000       4.369000      0.5040000      0.5708000      0.7449000
  1 1 1      -6   13   11 o    2.778000      0.4602000       2.841000 0.5549000       2.715000      0.7342000      0.1264000      0.9204000
  1 1 1      -6   13   12 o    4.626000      0.2674000       4.492000 0.3909000       4.759000      0.3649000     -0.2675000      0.5348000
  1 1 1      -6   13   13 o    2.217000      0.3865000       3.206000 0.5315000       1.228000      0.5612000       1.978000      0.7730000
  1 1 1      -6   13   14 o    3.524000      0.3719000       3.620000 0.5097000       3.428000      0.5416000      0.1915000      0.7437000
  1 1 1      -6   13   15 o    7.413000      0.2282000       7.409000 0.3242000       7.417000      0.3212000     -0.8296000E-02  0.4564000
  1 1 1      -6   13   16 o    9.390000      0.2239000       9.245000 0.3170000       9.535000      0.3163000     -0.2894000      0.4478000
  1 1 1      -6   13   17 o    7.811000      0.2359000       7.846000 0.3362000       7.776000      0.3310000      0.6973000E-01  0.4718000
  1 1 1      -6   13   18 o    8.114000      0.2400000       7.997000 0.3446000       8.231000      0.3341000     -0.2334000      0.4800000
  1 1 1      -6   13   19 o    4.752000      0.3214000       4.631000 0.4595000       4.873000      0.4495000     -0.2421000      0.6428000
  1 1 1      -6   13   20 o    10.82000      0.2418000       10.47000 0.3431000       11.16000      0.3408000     -0.6899000      0.4836000
  1 1 1      -6   13   21 o    10.31000      0.2478000       10.13000 0.3569000       10.48000      0.3438000     -0.3536000      0.4956000
  1 1 1      -6   13   22 o    8.222000      0.2590000       8.520000 0.3745000       7.924000      0.3577000      0.5961000      0.5179000
  1 1 1      -6   13   23 o    9.786000      0.2626000       9.529000 0.3761000       10.04000      0.3667000     -0.5143000      0.5253000
  1 1 1      -6   13   24 o    3.593000      0.5238000       3.395000 0.7862000       3.790000      0.6924000     -0.3947000       1.048000
  1 1 1      -6   13   25 o    8.553000      0.2903000       8.840000 0.4112000       8.265000      0.4099000      0.5751000      0.5806000
  1 1 1      -6   13   26 o    3.262000      0.5736000       3.040000 0.8699000       3.483000      0.7478000     -0.4428000       1.147000
  1 1 1      -6   13   27 o    4.226000      0.6314000       3.520000 0.8437000       4.933000      0.9396000      -1.413000       1.263000
  1 1 1      -6   13   28 o    4.720000      0.5063000       4.978000 0.6143000       4.462000      0.8049000      0.5165000       1.013000
  1 1 1      -6   13   29 o    2.362000      0.6248000       2.232000 0.8336000       2.492000      0.9309000     -0.2605000       1.250000
  1 1 1      -6   13   30 o    2.828000      0.7495000       2.926000 1.046000       2.729000       1.074000      0.1962000       1.499000
  1 1 1      -6   13   31 o    1.967000      0.5755000       2.110000 0.8202000       1.823000      0.8075000      0.2871000       1.151000
  1 1 1      -6   13   32 o    3.451000      0.5962000       3.397000 0.7954000       3.506000      0.8882000     -0.1084000       1.192000
  1 1 1      -6   13   33 o    3.086000      0.6419000       2.874000 0.9065000       3.298000      0.9092000     -0.4242000       1.284000
  1 1 1      -6   14    1 o    5.472000      0.4242000       5.350000 0.6687000       5.594000      0.5221000     -0.2443000      0.8483000
  1 1 1      -6   14    2 o    5.941000      0.3600000       5.647000 0.5595000       6.235000      0.4532000     -0.5881000      0.7200000
  1 1 1      -6   14    3 o    2.068000      0.5633000       1.952000 0.8150000       2.184000      0.7779000     -0.2315000       1.127000
  1 1 1      -6   14    4 o    2.966000      0.3462000       3.054000 0.4885000       2.878000      0.4908000      0.1764000      0.6925000
  1 1 1      -6   14    5 o    4.634000      0.2311000       4.781000 0.3319000       4.487000      0.3217000      0.2932000      0.4622000
  1 1 1      -6   14    6 o    6.735000      0.1925000       6.548000 0.2750000       6.922000      0.2695000     -0.3745000      0.3851000
  1 1 1      -6   14    7 o    6.362000      0.2840000       6.100000 0.4373000       6.624000      0.3624000     -0.5242000      0.5679000
  1 1 1      -6   14    8 o    8.748000      0.2836000       8.698000 0.4229000       8.798000      0.3778000     -0.1004000      0.5671000
  1 1 1      -6   14    9 o    4.775000      0.2465000       5.135000 0.3516000       4.415000      0.3455000      0.7205000      0.4929000
  1 1 1      -6   14   10 o    2.567000      0.4099000       2.897000 0.5212000       2.237000      0.6327000      0.6593000      0.8197000
  1 1 1      -6   14   11 o    3.137000      0.3655000       3.322000 0.4936000       2.952000      0.5392000      0.3696000      0.7310000
  1 1 1      -6   14   12 o    5.560000      0.2408000       5.557000 0.3297000       5.563000      0.3510000     -0.5342000E-02  0.4815000
  1 1 1      -6   14   13 o    4.105000      0.2986000       4.034000 0.4184000       4.176000      0.4263000     -0.1428000      0.5973000
  1 1 1      -6   14   14 o    2.890000      0.4310000       2.894000 0.5825000       2.887000      0.6353000      0.6808000E-02  0.8620000
  1 1 1      -6   14   15 o    5.890000      0.2521000       6.100000 0.3536000       5.680000      0.3593000      0.4208000      0.5041000
  1 1 1      -6   14   16 o    5.663000      0.2626000       5.715000 0.3722000       5.612000      0.3705000      0.1038000      0.5252000
  1 1 1      -6   14   17 o    6.061000      0.2735000       6.139000 0.3813000       5.982000      0.3923000      0.1566000      0.5470000
  1 1 1      -6   14   18 o    3.039000      0.4467000       2.148000 0.7168000       3.931000      0.5332000      -1.783000      0.8934000
  1 1 1      -6   14   19 o    6.603000      0.2680000       6.520000 0.3869000       6.685000      0.3708000     -0.1646000      0.5359000
  1 1 1      -6   14   20 o    6.563000      0.2793000       6.436000 0.3906000       6.691000      0.3993000     -0.2547000      0.5586000
  1 1 1      -6   14   21 o    2.265000      0.5308000       2.670000 0.7524000       1.861000      0.7490000      0.8093000       1.062000
  1 1 1      -6   14   22 o    2.858000      0.7332000       2.858000 0.7332000                  ?              ?              ?              ?
  1 1 1      -6   14   23 o    1.598000      0.5009000       1.309000 0.6150000       1.887000      0.7907000     -0.5780000       1.002000
  1 1 1      -6   14   24 o    4.886000      0.6095000                  ?       ?   4.886000      0.6095000                  ?              ?
  1 1 1      -6   14   26 o    3.393000      0.6970000       3.015000 0.9372000       3.771000       1.032000     -0.7568000       1.394000
  1 1 1      -6   14   27 o    5.673000      0.3984000       5.490000 0.5739000       5.856000      0.5526000     -0.3661000      0.7967000
  1 1 1      -6   14   28 o    3.731000      0.8522000       3.309000 1.271000       4.154000       1.135000     -0.8449000       1.704000
  1 1 1      -6   14   29 o    3.528000      0.7550000       2.421000 1.097000       4.634000       1.037000      -2.213000       1.510000
  1 1 1      -6   14   30 o    3.160000      0.6263000       3.493000 0.8308000       2.827000      0.9374000      0.6656000       1.253000
  1 1 1      -6   14   31 o    2.113000      0.6035000       2.170000 0.8535000       2.056000      0.8536000      0.1141000       1.207000
  1 1 1      -6   14   32 o    2.159000      0.5953000       2.524000 0.8807000       1.793000      0.8011000      0.7318000       1.191000
  1 1 1      -6   15    1 o    4.697000      0.2930000       4.246000 0.4689000       5.148000      0.3514000     -0.9013000      0.5860000
  1 1 1      -6   15    2 o    4.077000      0.2773000       3.577000 0.4470000       4.578000      0.3284000      -1.001000      0.5547000
  1 1 1      -6   15    3 o    4.554000      0.2742000       4.818000 0.4447000       4.289000      0.3208000      0.5286000      0.5484000
  1 1 1      -6   15    4 o    5.406000      0.2843000       5.542000 0.4265000       5.269000      0.3762000      0.2738000      0.5687000
  1 1 1      -6   15    5 o    2.415000      0.4809000       1.956000 0.7367000       2.874000      0.6182000     -0.9179000      0.9617000
  1 1 1      -6   15    6 o    8.148000      0.1995000       8.032000 0.2895000       8.264000      0.2745000     -0.2324000      0.3989000
  1 1 1      -6   15    7 o    8.589000      0.1973000       8.973000 0.2853000       8.204000      0.2725000      0.7689000      0.3946000
  1 1 1      -6   15    8 o    1.428000      0.4169000       1.216000 0.5539000       1.639000      0.6234000     -0.4229000      0.8339000
  1 1 1      -6   15    9 o    9.241000      0.2021000       9.184000 0.2919000       9.298000      0.2796000     -0.1142000      0.4043000
  1 1 1      -6   15   10 o    4.332000      0.2671000       4.477000 0.3713000       4.187000      0.3841000      0.2891000      0.5342000
  1 1 1      -6   15   11 o    1.381000      0.4184000       1.549000 0.6262000       1.212000      0.5551000      0.3371000      0.8368000
  1 1 1      -6   15   12 o    8.010000      0.2111000       7.831000 0.2992000       8.190000      0.2978000     -0.3584000      0.4221000
  1 1 1      -6   15   13 o    6.177000      0.2400000       6.294000 0.3297000       6.059000      0.3489000      0.2356000      0.4801000
  1 1 1      -6   15   14 o    7.534000      0.2251000       7.465000 0.3268000       7.603000      0.3096000     -0.1375000      0.4502000
  1 1 1      -6   15   15 f    7.461000      0.2300000       7.517000 0.3246000       7.405000      0.3259000      0.1115000      0.4599000
  1 1 1      -6   15   16 o    4.006000      0.3573000       4.286000 0.4612000       3.725000      0.5458000      0.5605000      0.7145000
  1 1 1      -6   15   17 o    5.135000      0.2958000       5.054000 0.4293000       5.216000      0.4072000     -0.1621000      0.5917000
  1 1 1      -6   15   18 o    4.874000      0.3100000       4.521000 0.4535000       5.227000      0.4227000     -0.7065000      0.6200000
  1 1 1      -6   15   19 o    11.98000      0.2412000       11.93000 0.3422000       12.03000      0.3400000     -0.1055000      0.4824000
  1 1 1      -6   15   20 o    9.090000      0.2523000       9.302000 0.3562000       8.879000      0.3574000      0.4229000      0.5046000
  1 1 1      -6   15   21 o    11.25000      0.2563000       11.37000 0.3658000       11.13000      0.3590000      0.2387000      0.5126000
  1 1 1      -6   15   22 o    6.467000      0.4201000       6.467000 0.4201000                  ?              ?              ?              ?
  1 1 1      -6   15   23 o    9.666000      0.3402000       9.499000 0.4429000       9.833000      0.5164000     -0.3341000      0.6803000
  1 1 1      -6   15   24 o    7.038000      0.6392000                  ?       ?   7.038000      0.6392000                  ?              ?
  1 1 1      -6   15   25 o    7.124000      0.3320000       7.443000 0.4425000       6.806000      0.4951000      0.6367000      0.6640000
  1 1 1      -6   15   26 o    3.835000      0.5577000       3.937000 0.7607000       3.733000      0.8157000      0.2032000       1.115000
  1 1 1      -6   15   27 o    3.743000      0.8164000       3.359000 1.308000       4.127000      0.9777000     -0.7682000       1.633000
  1 1 1      -6   15   28 f    2.612000      0.6321000       2.298000 0.8998000       2.926000      0.8880000     -0.6272000       1.264000
  1 1 1      -6   15   29 o    2.047000      0.5931000       2.427000 0.9103000       1.667000      0.7605000      0.7599000       1.186000
  1 1 1      -6   15   30 o    6.240000      0.3948000       5.782000 0.5653000       6.699000      0.5513000     -0.9170000      0.7896000
  1 1 1      -6   15   31 o    4.266000      0.5460000       3.969000 0.7943000       4.564000      0.7494000     -0.5952000       1.092000
  1 1 1      -6   15   32 o    2.604000      0.6770000       2.396000 0.9955000       2.811000      0.9178000     -0.4145000       1.354000
  1 1 1      -6   16    1 o    3.677000      0.4008000       4.356000 0.5067000       2.998000      0.6212000       1.358000      0.8017000
  1 1 1      -6   16    2 o    5.442000      0.2912000       5.248000 0.4461000       5.636000      0.3743000     -0.3885000      0.5824000
  1 1 1      -6   16    3 o    5.722000      0.2476000       5.502000 0.3772000       5.941000      0.3208000     -0.4388000      0.4952000
  1 1 1      -6   16    4 o    4.357000      0.2976000       4.380000 0.4588000       4.334000      0.3793000      0.4574000E-01  0.5953000
  1 1 1      -6   16    5 o    4.314000      0.2896000       4.733000 0.4046000       3.895000      0.4146000      0.8379000      0.5793000
  1 1 1      -6   16    6 o    9.035000      0.1993000       9.275000 0.2908000       8.796000      0.2727000      0.4791000      0.3987000
  1 1 1      -6   16    7 o    4.084000      0.2863000       4.652000 0.3806000       3.515000      0.4279000       1.137000      0.5726000
  1 1 1      -6   16    8 o    1.463000      0.4305000       1.528000 0.6326000       1.398000      0.5841000      0.1303000      0.8610000
  1 1 1      -6   16    9 o    2.885000      0.4172000       2.832000 0.6214000       2.939000      0.5568000     -0.1069000      0.8344000
  1 1 1      -6   16   10 o    7.064000      0.2163000       6.837000 0.3164000       7.290000      0.2949000     -0.4529000      0.4325000
  1 1 1      -6   16   11 o    6.595000      0.2257000       6.821000 0.3152000       6.369000      0.3230000      0.4523000      0.4513000
  1 1 1      -6   16   12 o    1.419000      0.4297000       1.511000 0.6319000       1.327000      0.5825000      0.1839000      0.8594000
  1 1 1      -6   16   13 o    4.529000      0.2948000       4.799000 0.4021000       4.259000      0.4311000      0.5401000      0.5896000
  1 1 1      -6   16   14 o    2.582000      0.4760000       2.636000 0.6685000       2.528000      0.6778000      0.1071000      0.9520000
  1 1 1      -6   16   15 o    3.419000      0.3976000       3.440000 0.5520000       3.398000      0.5724000      0.4218000E-01  0.7952000
  1 1 1      -6   16   16 o    6.320000      0.2586000       6.174000 0.3719000       6.467000      0.3594000     -0.2930000      0.5172000
  1 1 1      -6   16   17 o    6.038000      0.2759000       6.000000 0.3832000       6.076000      0.3970000     -0.7579000E-01  0.5518000
  1 1 1      -6   16   18 o    3.627000      0.4251000       3.716000 0.5742000       3.538000      0.6269000      0.1778000      0.8502000
  1 1 1      -6   16   19 o    2.679000      0.5345000       2.603000 0.7625000       2.754000      0.7494000     -0.1513000       1.069000
  1 1 1      -6   16   20 o    3.187000      0.4978000       3.713000 0.6329000       2.660000      0.7686000       1.053000      0.9956000
  1 1 1      -6   16   21 o    3.980000      0.5161000       3.966000 0.6076000       3.994000      0.8344000     -0.2737000E-01   1.032000
  1 1 1      -6   16   22 o    5.681000      0.4312000       5.923000 0.5200000       5.439000      0.6881000      0.4834000      0.8624000
  1 1 1      -6   16   23 o    7.542000      0.2972000       7.605000 0.4144000       7.479000      0.4261000      0.1260000      0.5944000
  1 1 1      -6   16   24 o    4.058000      0.5079000       3.446000 0.7929000       4.670000      0.6351000      -1.224000       1.016000
  1 1 1      -6   16   25 o    2.449000      0.7492000       2.700000 1.165000       2.199000      0.9427000      0.5012000       1.498000
  1 1 1      -6   16   26 o    3.377000      0.8212000       4.526000 1.330000       2.228000      0.9639000       2.298000       1.642000
  1 1 1      -6   16   27 o    3.566000      0.5884000       3.068000 0.8797000       4.064000      0.7816000     -0.9963000       1.177000
  1 1 1      -6   16   28 o    2.378000      0.6317000       2.783000 0.9341000       1.973000      0.8507000      0.8098000       1.263000
  1 1 1      -6   16   29 o    2.120000      0.6132000       1.907000 0.8328000       2.332000      0.9003000     -0.4252000       1.226000
  1 1 1      -6   16   30 o    2.611000      0.6352000       2.821000 0.9095000       2.401000      0.8869000      0.4196000       1.270000
  1 1 1      -6   16   31 o    2.060000      0.6066000       1.715000 0.7793000       2.405000      0.9298000     -0.6903000       1.213000
  1 1 1      -6   17    1 o    3.039000      0.4606000       2.890000 0.7164000       3.188000      0.5791000     -0.2986000      0.9212000
  1 1 1      -6   17    2 o    4.679000      0.3425000       4.252000 0.5534000       5.105000      0.4037000     -0.8532000      0.6850000
  1 1 1      -6   17    3 o    1.878000      0.4706000       1.568000 0.6813000       2.188000      0.6494000     -0.6202000      0.9412000
  1 1 1      -6   17    4 o    3.021000      0.4049000       3.093000 0.6339000       2.949000      0.5040000      0.1440000      0.8099000
  1 1 1      -6   17    5 o    6.867000      0.2322000       6.716000 0.3511000       7.017000      0.3041000     -0.3007000      0.4645000
  1 1 1      -6   17    6 o    6.976000      0.2228000       7.013000 0.3317000       6.938000      0.2977000      0.7484000E-01  0.4457000
  1 1 1      -6   17    7 f    4.784000      0.2726000       4.774000 0.4129000       4.795000      0.3561000     -0.2090000E-01  0.5452000
  1 1 1      -6   17    8 o    6.652000      0.2162000       6.742000 0.3203000       6.563000      0.2906000      0.1792000      0.4325000
  1 1 1      -6   17    9 o    5.759000      0.2387000       5.767000 0.3431000       5.750000      0.3321000      0.1653000E-01  0.4775000
  1 1 1      -6   17   10 o    8.746000      0.2152000       8.816000 0.3154000       8.675000      0.2927000      0.1411000      0.4303000
  1 1 1      -6   17   11 o    4.367000      0.3190000       4.144000 0.4906000       4.590000      0.4079000     -0.4457000      0.6381000
  1 1 1      -6   17   12 o    4.304000      0.3069000       4.352000 0.4369000       4.256000      0.4311000      0.9627000E-01  0.6138000
  1 1 1      -6   17   13 o    8.360000      0.2191000       8.163000 0.3215000       8.556000      0.2978000     -0.3928000      0.4382000
  1 1 1      -6   17   14 o    3.261000      0.4303000       3.118000 0.6344000       3.404000      0.5815000     -0.2860000      0.8605000
  1 1 1      -6   17   15 o    4.409000      0.3311000       4.967000 0.4158000       3.850000      0.5152000       1.117000      0.6621000
  1 1 1      -6   17   16 o    2.981000      0.4782000       2.770000 0.7069000       3.193000      0.6443000     -0.4225000      0.9565000
  1 1 1      -6   17   17 o    6.548000      0.2685000       6.669000 0.3745000       6.428000      0.3849000      0.2407000      0.5370000
  1 1 1      -6   17   18 o    2.541000      0.5370000       2.771000 0.7506000       2.311000      0.7683000      0.4607000       1.074000
  1 1 1      -6   17   19 o    4.292000      0.4391000       4.066000 0.5119000       4.519000      0.7135000     -0.4530000      0.8782000
  1 1 1      -6   17   20 o    5.646000      0.4027000       5.580000 0.5254000       5.713000      0.6104000     -0.1331000      0.8053000
  1 1 1      -6   17   21 f    5.165000      0.3625000       5.227000 0.5036000       5.102000      0.5216000      0.1250000      0.7250000
  1 1 1      -6   17   22 o    2.817000      0.5761000       3.044000 0.7811000       2.590000      0.8470000      0.4536000       1.152000
  1 1 1      -6   17   23 o    5.486000      0.7097000       5.055000 1.176000       5.917000      0.7956000     -0.8614000       1.419000
  1 1 1      -6   17   24 o    6.168000      0.6559000       5.962000 1.084000       6.375000      0.7386000     -0.4130000       1.312000
  1 1 1      -6   17   25 o    3.132000      0.6360000       3.023000 0.8860000       3.241000      0.9126000     -0.2186000       1.272000
  1 1 1      -6   17   26 o    4.220000      0.5627000       4.572000 0.7305000       3.869000      0.8562000      0.7029000       1.125000
  1 1 1      -6   17   27 o    8.487000      0.3153000       8.425000 0.4606000       8.548000      0.4307000     -0.1233000      0.6306000
  1 1 1      -6   17   28 o    1.875000      0.5807000       1.931000 0.8384000       1.819000      0.8036000      0.1121000       1.161000
  1 1 1      -6   17   29 o    2.249000      0.6191000       1.859000 0.8277000       2.638000      0.9209000     -0.7789000       1.238000
  1 1 1      -6   17   30 o    3.237000      0.6507000       3.055000 0.9234000       3.419000      0.9169000     -0.3640000       1.301000
  1 1 1      -6   18    1 o    6.215000      0.2804000       6.449000 0.4162000       5.980000      0.3758000      0.4686000      0.5608000
  1 1 1      -6   18    2 o    5.867000      0.3064000       5.947000 0.4606000       5.787000      0.4042000      0.1595000      0.6128000
  1 1 1      -6   18    3 o    3.873000      0.3941000       4.282000 0.5722000       3.464000      0.5422000      0.8184000      0.7883000
  1 1 1      -6   18    4 o    5.383000      0.2709000       5.196000 0.4213000       5.569000      0.3405000     -0.3729000      0.5417000
  1 1 1      -6   18    5 o    5.036000      0.2907000       5.457000 0.4274000       4.614000      0.3941000      0.8433000      0.5814000
  1 1 1      -6   18    6 o    2.837000      0.4832000       3.262000 0.6785000       2.411000      0.6881000      0.8504000      0.9664000
  1 1 1      -6   18    7 o    5.409000      0.2684000       5.419000 0.4095000       5.399000      0.3471000      0.1930000E-01  0.5368000
  1 1 1      -6   18    8 o    1.633000      0.4674000       1.873000 0.7094000       1.393000      0.6087000      0.4799000      0.9347000
  1 1 1      -6   18    9 o    9.853000      0.2148000       9.638000 0.3134000       10.07000      0.2939000     -0.4296000      0.4296000
  1 1 1      -6   18   10 o    9.237000      0.2213000       9.489000 0.3197000       8.985000      0.3061000      0.5044000      0.4426000
  1 1 1      -6   18   11 o    3.529000      0.4066000       3.503000 0.6110000       3.556000      0.5366000     -0.5324000E-01  0.8132000
  1 1 1      -6   18   12 o    10.89000      0.2266000       10.84000 0.3303000       10.95000      0.3102000     -0.1090000      0.4531000
  1 1 1      -6   18   13 o    9.769000      0.2306000       9.617000 0.3353000       9.921000      0.3167000     -0.3039000      0.4612000
  1 1 1      -6   18   14 o    3.567000      0.4124000       3.519000 0.5995000       3.614000      0.5665000     -0.9460000E-01  0.8249000
  1 1 1      -6   18   15 o    4.612000      0.3288000       4.543000 0.4782000       4.682000      0.4513000     -0.1385000      0.6575000
  1 1 1      -6   18   16 o    4.258000      0.3722000       3.628000 0.5877000       4.888000      0.4569000      -1.260000      0.7444000
  1 1 1      -6   18   17 o    4.232000      0.4802000       4.429000 0.6071000       4.036000      0.7441000      0.3925000      0.9603000
  1 1 1      -6   18   18 o    5.722000      0.3781000       5.994000 0.4917000       5.450000      0.5745000      0.5442000      0.7562000
  1 1 1      -6   18   19 o    9.769000      0.2592000       9.819000 0.3731000       9.720000      0.3598000      0.9934000E-01  0.5183000
  1 1 1      -6   18   20 o    7.376000      0.2909000       7.495000 0.4149000       7.256000      0.4078000      0.2397000      0.5817000
  1 1 1      -6   18   21 o    7.989000      0.5019000       7.791000 0.7987000       8.188000      0.6081000     -0.3967000       1.004000
  1 1 1      -6   18   22 o    8.671000      0.4844000       9.214000 0.7376000       8.128000      0.6280000       1.086000      0.9688000
  1 1 1      -6   18   23 o    6.420000      0.3496000       7.056000 0.4689000       5.784000      0.5185000       1.273000      0.6991000
  1 1 1      -6   18   24 o    6.362000      0.3617000       6.381000 0.5221000       6.343000      0.5008000      0.3781000E-01  0.7234000
  1 1 1      -6   18   25 o    2.582000      0.6459000       2.549000 0.9423000       2.614000      0.8835000     -0.6538000E-01   1.292000
  1 1 1      -6   18   26 o    5.772000      0.4008000       5.915000 0.5790000       5.629000      0.5544000      0.2854000      0.8016000
  1 1 1      -6   18   27 o    2.179000      0.6230000       2.212000 0.8858000       2.145000      0.8762000      0.6701000E-01   1.246000
  1 1 1      -6   18   28 o    2.912000      0.6719000       2.834000 0.9610000       2.991000      0.9392000     -0.1564000       1.344000
  1 1 1      -6   18   29 o    3.693000      0.6289000       3.906000 0.8616000       3.481000      0.9163000      0.4246000       1.258000
  1 1 1      -6   19    1 o    7.835000      0.2880000       7.959000 0.4110000       7.711000      0.4035000      0.2477000      0.5760000
  1 1 1      -6   19    2 o    11.14000      0.2611000       11.10000 0.3920000       11.19000      0.3450000     -0.8595000E-01  0.5222000
  1 1 1      -6   19    3 f    3.362000      0.4920000       2.690000 0.8456000       4.034000      0.5034000      -1.344000      0.9841000
  1 1 1      -6   19    4 o    2.269000      0.5488000       2.416000 0.8051000       2.122000      0.7461000      0.2943000       1.098000
  1 1 1      -6   19    5 o    7.913000      0.2447000       7.904000 0.3708000       7.921000      0.3194000     -0.1713000E-01  0.4894000
  1 1 1      -6   19    6 o    2.112000      0.4964000       1.581000 0.7032000       2.643000      0.7007000      -1.062000      0.9927000
  1 1 1      -6   19    7 o    7.541000      0.2487000       7.722000 0.3800000       7.361000      0.3211000      0.3611000      0.4974000
  1 1 1      -6   19    8 o    9.072000      0.2351000       8.823000 0.3555000       9.320000      0.3077000     -0.4963000      0.4702000
  1 1 1      -6   19    9 o    6.129000      0.2710000       5.632000 0.4175000       6.625000      0.3456000     -0.9932000      0.5419000
  1 1 1      -6   19   10 o    2.152000      0.5143000       2.071000 0.7488000       2.232000      0.7053000     -0.1605000       1.029000
  1 1 1      -6   19   11 o    4.048000      0.3594000       3.697000 0.5764000       4.400000      0.4294000     -0.7030000      0.7188000
  1 1 1      -6   19   12 o    2.868000      0.4909000       2.379000 0.7754000       3.357000      0.6022000     -0.9774000      0.9818000
  1 1 1      -6   19   13 o    4.339000      0.3773000       4.976000 0.4768000       3.701000      0.5849000       1.275000      0.7546000
  1 1 1      -6   19   14 f    6.595000      0.2793000       6.586000 0.4110000       6.605000      0.3783000     -0.1931000E-01  0.5586000
  1 1 1      -6   19   15 o    5.512000      0.3806000       5.109000 0.5478000       5.914000      0.5285000     -0.8056000      0.7612000
  1 1 1      -6   19   16 o    5.539000      0.3907000       5.139000 0.5472000       5.939000      0.5579000     -0.7996000      0.7815000
  1 1 1      -6   19   17 f    4.594000      0.3632000       4.338000 0.5431000       4.849000      0.4825000     -0.5112000      0.7264000
  1 1 1      -6   19   18 o    11.07000      0.2538000       11.27000 0.3608000       10.87000      0.3569000      0.4027000      0.5075000
  1 1 1      -6   19   19 o    12.09000      0.4223000       11.70000 0.6480000       12.47000      0.5416000     -0.7704000      0.8446000
  1 1 1      -6   19   20 o    7.164000      0.5582000       6.687000 0.9243000       7.642000      0.6262000     -0.9553000       1.116000
  1 1 1      -6   19   21 o    2.294000      0.5858000       2.733000 0.8565000       1.855000      0.7995000      0.8771000       1.172000
  1 1 1      -6   19   22 o    3.747000      0.5522000       3.222000 0.8393000       4.273000      0.7179000      -1.050000       1.104000
  1 1 1      -6   19   23 o    4.262000      0.7260000       4.262000 0.7260000                  ?              ?              ?              ?
  1 1 1      -6   19   24 o    3.477000      0.6027000       3.227000 0.9036000       3.726000      0.7979000     -0.4987000       1.205000
  1 1 1      -6   19   25 o    3.025000      0.8942000                  ?       ?   3.025000      0.8942000                  ?              ?
  1 1 1      -6   19   26 o    2.120000      0.6000000       2.506000 0.9143000       1.733000      0.7772000      0.7726000       1.200000
  1 1 1      -6   19   27 o    2.195000      0.6262000       2.185000 0.8777000       2.204000      0.8933000     -0.1910000E-01   1.252000
  1 1 1      -6   19   28 o    2.703000      0.6749000       2.844000 0.9588000       2.563000      0.9501000      0.2809000       1.350000
  1 1 1      -6   20    1 o    7.076000      0.3345000       6.618000 0.5075000       7.534000      0.4359000     -0.9164000      0.6690000
  1 1 1      -6   20    2 o    6.966000      0.3024000       6.689000 0.4640000       7.243000      0.3879000     -0.5545000      0.6048000
  1 1 1      -6   20    3 o    8.626000      0.2884000       8.516000 0.4392000       8.736000      0.3738000     -0.2195000      0.5767000
  1 1 1      -6   20    4 o    8.058000      0.2784000       7.993000 0.4334000       8.123000      0.3494000     -0.1299000      0.5567000
  1 1 1      -6   20    5 o    12.71000      0.2628000       12.48000 0.3913000       12.94000      0.3510000     -0.4581000      0.5257000
  1 1 1      -6   20    6 o    3.675000      0.4827000       3.092000 0.8203000       4.258000      0.5089000      -1.166000      0.9653000
  1 1 1      -6   20    7 o    4.695000      0.3720000       4.708000 0.5708000       4.683000      0.4772000      0.2500000E-01  0.7440000
  1 1 1      -6   20    8 o    2.734000      0.5475000       2.861000 0.8323000       2.607000      0.7117000      0.2544000       1.095000
  1 1 1      -6   20    9 o    8.089000      0.2605000       8.029000 0.4021000       8.148000      0.3313000     -0.1192000      0.5210000
  1 1 1      -6   20   10 o    8.026000      0.2552000       8.272000 0.3755000       7.780000      0.3456000      0.4923000      0.5103000
  1 1 1      -6   20   11 o    3.130000      0.4975000       2.795000 0.7938000       3.466000      0.5999000     -0.6716000      0.9950000
  1 1 1      -6   20   12 o    5.318000      0.4276000       4.768000 0.6462000       5.867000      0.5601000      -1.099000      0.8552000
  1 1 1      -6   20   13 f    3.803000      0.5645000       4.674000 0.6428000       2.931000      0.9282000       1.743000       1.129000
  1 1 1      -6   20   14 o    4.271000      0.4159000       4.986000 0.5365000       3.557000      0.6357000       1.430000      0.8318000
  1 1 1      -6   20   15 o    6.257000      0.2980000       6.304000 0.4379000       6.210000      0.4044000      0.9393000E-01  0.5960000
  1 1 1      -6   20   16 o    5.318000      0.3178000       5.249000 0.4360000       5.387000      0.4625000     -0.1373000      0.6356000
  1 1 1      -6   20   17 o    7.605000      0.4701000       8.293000 0.7024000       6.917000      0.6251000       1.376000      0.9403000
  1 1 1      -6   20   18 o    9.105000      0.4544000       9.091000 0.7062000       9.119000      0.5720000     -0.2809000E-01  0.9088000
  1 1 1      -6   20   19 o    4.203000      0.4834000       4.910000 0.5657000       3.497000      0.7840000       1.414000      0.9668000
  1 1 1      -6   20   20 o    3.105000      0.5737000       2.499000 0.8549000       3.710000      0.7652000      -1.212000       1.147000
  1 1 1      -6   20   21 o    3.131000      0.5921000       3.846000 0.7800000       2.416000      0.8910000       1.430000       1.184000
  1 1 1      -6   20   22 o    2.490000      0.6280000       2.126000 0.8603000       2.855000      0.9152000     -0.7290000       1.256000
  1 1 1      -6   20   23 o    4.522000      0.7207000       4.522000 0.7207000                  ?              ?              ?              ?
  1 1 1      -6   20   24 o    1.957000      0.5876000       1.719000 0.7877000       2.195000      0.8722000     -0.4760000       1.175000
  1 1 1      -6   20   25 o    3.256000      0.8897000                  ?       ?   3.256000      0.8897000                  ?              ?
  1 1 1      -6   20   26 o    2.185000      0.6263000       2.168000 0.8957000       2.203000      0.8755000     -0.3494000E-01   1.253000
  1 1 1      -6   20   27 o    1.865000      0.5829000       2.114000 0.8840000       1.616000      0.7601000      0.4981000       1.166000
  1 1 1      -6   21    1 o    5.157000      0.4152000       4.618000 0.6547000       5.695000      0.5109000      -1.077000      0.8304000
  1 1 1      -6   21    2 o    8.650000      0.3185000       9.065000 0.4752000       8.235000      0.4241000      0.8297000      0.6369000
  1 1 1      -6   21    3 o    5.737000      0.3841000       5.894000 0.5767000       5.580000      0.5077000      0.3144000      0.7683000
  1 1 1      -6   21    4 o    2.187000      0.5819000       2.228000 0.8547000       2.146000      0.7900000      0.8179000E-01   1.164000
  1 1 1      -6   21    5 o    2.810000      0.5452000       3.801000 0.7989000       1.820000      0.7420000       1.981000       1.090000
  1 1 1      -6   21    6 o    4.101000      0.4888000       3.863000 0.7860000       4.338000      0.5813000     -0.4752000      0.9776000
  1 1 1      -6   21    7 o    3.803000      0.4999000       3.641000 0.7963000       3.965000      0.6047000     -0.3246000      0.9998000
  1 1 1      -6   21    8 o    2.704000      0.5570000       3.237000 0.8193000       2.170000      0.7548000       1.067000       1.114000
  1 1 1      -6   21    9 o    2.260000      0.6704000       1.878000 0.8747000       2.643000       1.016000     -0.7653000       1.341000
  1 1 1      -6   21   10 o    2.843000      0.7234000       3.539000 1.103000       2.147000      0.9365000       1.392000       1.447000
  1 1 1      -6   21   11 o    4.693000      0.4061000       4.423000 0.6291000       4.963000      0.5136000     -0.5402000      0.8121000
  1 1 1      -6   21   12 o    8.166000      0.2629000       8.510000 0.3798000       7.823000      0.3636000      0.6879000      0.5258000
  1 1 1      -6   21   13 o    2.371000      0.5216000       1.703000 0.7392000       3.039000      0.7360000      -1.337000       1.043000
  1 1 1      -6   21   14 o    3.784000      0.6783000       3.891000 1.058000       3.676000      0.8492000      0.2147000       1.357000
  1 1 1      -6   21   15 o    6.002000      0.5314000       6.312000 0.8613000       5.691000      0.6227000      0.6205000       1.063000
  1 1 1      -6   21   16 o    6.746000      0.3162000       6.901000 0.4664000       6.590000      0.4272000      0.3109000      0.6324000
  1 1 1      -6   21   17 o    8.285000      0.2860000       8.071000 0.4275000       8.499000      0.3799000     -0.4279000      0.5719000
  1 1 1      -6   21   18 o    6.912000      0.3165000       6.956000 0.4531000       6.869000      0.4419000      0.8752000E-01  0.6329000
  1 1 1      -6   21   19 o    6.106000      0.3515000       6.044000 0.5145000       6.168000      0.4790000     -0.1235000      0.7030000
  1 1 1      -6   21   20 o    4.675000      0.4463000       4.835000 0.6324000       4.514000      0.6298000      0.3210000      0.8925000
  1 1 1      -6   21   21 o    3.648000      0.5624000       2.912000 0.8910000       4.385000      0.6864000      -1.473000       1.125000
  1 1 1      -6   21   22 o    6.031000      0.3910000       5.508000 0.5710000       6.554000      0.5342000      -1.046000      0.7819000
  1 1 1      -6   21   23 o    2.814000      0.6352000       3.475000 0.9047000       2.153000      0.8919000       1.322000       1.270000
  1 1 1      -6   21   24 o    3.536000      0.6358000       3.811000 0.8765000       3.261000      0.9211000      0.5505000       1.272000
  1 1 1      -6   21   25 o    2.103000      0.6141000       2.043000 0.8576000       2.163000      0.8792000     -0.1199000       1.228000
  1 1 1      -6   21   26 o    2.832000      0.6507000       3.516000 0.9344000       2.148000      0.9059000       1.368000       1.301000
  1 1 1      -6   22    1 o    5.823000      0.4208000       5.646000 0.6124000       6.001000      0.5774000     -0.3554000      0.8417000
  1 1 1      -6   22    2 o    6.446000      0.3637000       6.802000 0.5130000       6.090000      0.5158000      0.7114000      0.7274000
  1 1 1      -6   22    3 o    7.936000      0.3317000       7.658000 0.4848000       8.215000      0.4530000     -0.5565000      0.6635000
  1 1 1      -6   22    4 o    5.143000      0.4517000       4.649000 0.7428000       5.637000      0.5141000     -0.9870000      0.9033000
  1 1 1      -6   22    5 o    5.876000       1.054000       5.370000 1.715000       6.381000       1.225000      -1.011000       2.108000
  1 1 1      -6   22    6 o    4.111000       1.038000       4.556000 1.594000       3.666000       1.331000      0.8897000       2.077000
  1 1 1      -6   22    7 o    6.436000      0.6946000       6.856000 1.065000       6.017000      0.8921000      0.8391000       1.389000
  1 1 1      -6   22    8 o    3.337000      0.5396000       4.329000 0.7495000       2.345000      0.7765000       1.984000       1.079000
  1 1 1      -6   22    9 o    4.207000      0.4825000       3.897000 0.7976000       4.517000      0.5433000     -0.6202000      0.9651000
  1 1 1      -6   22   10 o    6.184000      0.3560000       6.077000 0.5618000       6.291000      0.4375000     -0.2142000      0.7120000
  1 1 1      -6   22   11 o    7.664000      0.4020000       7.385000 0.6453000       7.944000      0.4795000     -0.5589000      0.8040000
  1 1 1      -6   22   12 o    3.966000      0.6614000       3.924000 1.045000       4.008000      0.8114000     -0.8390000E-01   1.323000
  1 1 1      -6   22   13 o    4.758000      0.4332000       4.412000 0.7000000       5.105000      0.5107000     -0.6931000      0.8665000
  1 1 1      -6   22   14 o    8.362000      0.2808000       8.930000 0.4025000       7.795000      0.3916000       1.135000      0.5616000
  1 1 1      -6   22   15 o    7.787000      0.2979000       7.533000 0.4408000       8.042000      0.4009000     -0.5085000      0.5958000
  1 1 1      -6   22   16 o    5.620000      0.3795000       6.172000 0.5113000       5.068000      0.5609000       1.104000      0.7589000
  1 1 1      -6   22   17 o    4.612000      0.4801000       4.191000 0.7616000       5.033000      0.5848000     -0.8419000      0.9603000
  1 1 1      -6   22   18 o    2.042000      0.5803000       2.483000 0.8997000       1.601000      0.7331000      0.8818000       1.161000
  1 1 1      -6   22   19 o    3.239000      0.6216000       3.411000 0.8644000       3.067000      0.8936000      0.3441000       1.243000
  1 1 1      -6   22   20 o    3.190000      0.6224000       3.755000 0.8564000       2.625000      0.9032000       1.130000       1.245000
  1 1 1      -6   22   21 o    5.015000      0.4632000       5.423000 0.6290000       4.608000      0.6802000      0.8152000      0.9265000
  1 1 1      -6   22   22 o    2.434000      0.6385000       2.811000 0.9453000       2.057000      0.8585000      0.7542000       1.277000
  1 1 1      -6   22   23 o    2.503000      0.6548000       2.473000 0.9360000       2.533000      0.9161000     -0.5997000E-01   1.310000
  1 1 1      -6   22   24 o    2.324000      0.6503000       2.257000 0.9197000       2.391000      0.9198000     -0.1338000       1.301000
  1 1 1      -6   22   25 o    3.389000      0.6638000       2.772000 0.9904000       4.005000      0.8841000      -1.233000       1.328000
  1 1 1      -6   23    1 o    2.980000      0.9877000       2.227000 1.063000       3.733000       1.665000      -1.506000       1.975000
  1 1 1      -6   23    2 o    3.040000       1.005000       2.547000 1.189000       3.534000       1.621000     -0.9868000       2.010000
  1 1 1      -6   23    3 o    8.054000       1.065000       6.782000 1.557000       9.325000       1.453000      -2.543000       2.129000
  1 1 1      -6   23    4 o    3.174000      0.6560000       2.745000 0.9866000       3.604000      0.8650000     -0.8588000       1.312000
  1 1 1      -6   23    5 o    1.693000      0.5329000       2.032000 0.8525000       1.354000      0.6399000      0.6780000       1.066000
  1 1 1      -6   23    6 o    7.749000      0.3288000       7.607000 0.5139000       7.892000      0.4102000     -0.2847000      0.6576000
  1 1 1      -6   23    7 f    5.414000      0.4752000       5.008000 0.7958000       5.820000      0.5196000     -0.8120000      0.9504000
  1 1 1      -6   23    8 o    3.866000      0.6082000       3.905000 0.9743000       3.828000      0.7284000      0.7731000E-01   1.216000
  1 1 1      -6   23    9 o    3.088000      0.6672000       2.735000 1.032000       3.440000      0.8455000     -0.7059000       1.334000
  1 1 1      -6   23   10 o    4.000000      0.5233000       3.631000 0.8674000       4.369000      0.5857000     -0.7380000       1.047000
  1 1 1      -6   23   11 o    2.002000      0.5837000       2.366000 0.9159000       1.638000      0.7240000      0.7282000       1.167000
  1 1 1      -6   23   12 o    4.079000      0.5457000       3.130000 0.9567000       5.027000      0.5251000      -1.897000       1.091000
  1 1 1      -6   23   13 o    4.082000      0.5457000       4.925000 0.7175000       3.238000      0.8224000       1.688000       1.091000
  1 1 1      -6   23   14 o    6.449000      0.3480000       6.351000 0.5279000       6.548000      0.4534000     -0.1966000      0.6959000
  1 1 1      -6   23   15 o    5.236000      0.4590000       4.262000 0.7849000       6.210000      0.4759000      -1.948000      0.9179000
  1 1 1      -6   23   16 o    8.018000      0.3028000       7.619000 0.4531000       8.416000      0.4019000     -0.7973000      0.6056000
  1 1 1      -6   23   17 o    1.702000      0.5388000       1.978000 0.8393000       1.426000      0.6760000      0.5528000       1.078000
  1 1 1      -6   23   18 o    2.620000      0.6408000       3.097000 0.9531000       2.143000      0.8568000      0.9539000       1.282000
  1 1 1      -6   23   19 o    2.637000      0.5882000       3.640000 0.9108000       1.634000      0.7445000       2.005000       1.176000
  1 1 1      -6   23   20 o    4.173000      0.5881000       5.120000 0.7465000       3.225000      0.9090000       1.896000       1.176000
  1 1 1      -6   23   21 o    4.319000      0.5876000       4.498000 0.8454000       4.140000      0.8163000      0.3578000       1.175000
  1 1 1      -6   23   22 o    3.962000      0.6462000       3.969000 0.9407000       3.956000      0.8863000      0.1337000E-01   1.292000
  1 1 1      -6   23   23 o    2.349000      0.6580000       2.685000 0.9762000       2.012000      0.8826000      0.6727000       1.316000
  1 1 1      -6   23   24 o    2.752000      0.6853000       3.122000 1.015000       2.381000      0.9208000      0.7402000       1.371000
  1 1 1      -6   24    1 o    2.049000      0.6050000       2.353000 0.9186000       1.745000      0.7875000      0.6077000       1.210000
  1 1 1      -6   24    2 o    6.962000      0.4199000       6.454000 0.6615000       7.469000      0.5173000      -1.016000      0.8398000
  1 1 1      -6   24    3 o    3.356000      0.6632000       3.368000 1.008000       3.344000      0.8626000      0.2399000E-01   1.326000
  1 1 1      -6   24    4 o    6.857000      0.4100000       7.091000 0.6144000       6.623000      0.5430000      0.4680000      0.8199000
  1 1 1      -6   24    5 o    5.576000      0.4575000       5.781000 0.7038000       5.371000      0.5846000      0.4104000      0.9149000
  1 1 1      -6   24    6 o    2.882000      0.5886000       2.164000 0.9086000       3.600000      0.7486000      -1.436000       1.177000
  1 1 1      -6   24    7 o    1.643000      0.5374000       1.765000 0.8111000       1.521000      0.7051000      0.2441000       1.075000
  1 1 1      -6   24    8 o    2.922000      0.6440000       2.768000 0.9726000       3.075000      0.8444000     -0.3070000       1.288000
  1 1 1      -6   24    9 o    3.034000      0.6508000       3.454000 0.9733000       2.614000      0.8641000      0.8394000       1.302000
  1 1 1      -6   24   10 o    1.641000      0.5398000       1.858000 0.8439000       1.424000      0.6733000      0.4335000       1.080000
  1 1 1      -6   24   11 o    2.236000      0.6308000       2.342000 0.9575000       2.130000      0.8216000      0.2124000       1.262000
  1 1 1      -6   24   12 o    2.000000      0.5940000       2.275000 0.9168000       1.725000      0.7554000      0.5494000       1.188000
  1 1 1      -6   24   13 o    3.486000      0.6444000       3.786000 0.9487000       3.186000      0.8722000      0.5994000       1.289000
  1 1 1      -6   24   14 o    2.490000      0.5807000       1.762000 0.8076000       3.219000      0.8346000      -1.457000       1.161000
  1 1 1      -6   24   15 o    4.754000      0.5331000       4.274000 0.8781000       5.233000      0.6047000     -0.9594000       1.066000
  1 1 1      -6   24   16 o    2.087000      0.6100000       2.001000 0.8715000       2.172000      0.8537000     -0.1703000       1.220000
  1 1 1      -6   24   17 o    4.755000      0.4888000       4.761000 0.7544000       4.749000      0.6219000      0.1194000E-01  0.9777000
  1 1 1      -6   24   18 o    2.049000      0.6140000       2.542000 0.9853000       1.556000      0.7329000      0.9860000       1.228000
  1 1 1      -6   24   19 o    2.695000      0.6689000       3.242000 1.002000       2.147000      0.8864000       1.095000       1.338000
  1 1 1      -6   24   20 o    2.030000      0.6345000       2.106000 0.9274000       1.954000      0.8663000      0.1520000       1.269000
  1 1 1      -6   24   21 o    3.590000      0.6780000       3.959000 0.9613000       3.222000      0.9564000      0.7371000       1.356000
  1 1 1      -6   24   22 o    3.443000      0.6862000       3.365000 0.9723000       3.521000      0.9684000     -0.1556000       1.372000
  1 1 1      -6   25    1 o    2.268000      0.6603000       1.801000 0.8528000       2.736000       1.008000     -0.9343000       1.321000
  1 1 1      -6   25    2 o    2.092000      0.6253000       1.718000 0.8084000       2.466000      0.9541000     -0.7484000       1.251000
  1 1 1      -6   25    3 o    5.326000      0.8223000       4.991000 1.502000       5.660000      0.6703000     -0.6689000       1.645000
  1 1 1      -6   25    4 o    2.154000      0.6427000       2.110000 0.9262000       2.199000      0.8914000     -0.8949000E-01   1.285000
  1 1 1      -6   25    5 o    2.685000      0.6824000       2.611000 1.001000       2.759000      0.9278000     -0.1486000       1.365000
  1 1 1      -6   25    6 o    2.302000      0.6540000       2.594000 0.9936000       2.011000      0.8506000      0.5825000       1.308000
  1 1 1      -6   25    7 o    5.061000      0.5131000       5.156000 0.7845000       4.966000      0.6617000      0.1903000       1.026000
  1 1 1      -6   25    8 o    3.629000      0.6633000       3.415000 1.027000       3.843000      0.8397000     -0.4282000       1.327000
  1 1 1      -6   25    9 o    2.852000      0.6826000       2.607000 1.001000       3.097000      0.9279000     -0.4906000       1.365000
  1 1 1      -6   25   10 f    2.470000      0.6744000       2.929000 1.039000       2.012000      0.8597000      0.9169000       1.349000
  1 1 1      -6   25   11 o    3.107000      0.6957000       3.242000 1.037000       2.973000      0.9280000      0.2687000       1.391000
  1 1 1      -6   25   12 f    2.616000      0.6428000       3.308000 0.9834000       1.924000      0.8282000       1.384000       1.286000
  1 1 1      -6   25   13 o    3.735000      0.6432000       4.064000 0.9376000       3.405000      0.8807000      0.6595000       1.286000
  1 1 1      -6   25   14 o    4.258000      0.5936000       4.139000 0.9067000       4.377000      0.7664000     -0.2374000       1.187000
  1 1 1      -6   25   15 f    2.550000      0.6860000       2.266000 0.9710000       2.834000      0.9694000     -0.5677000       1.372000
  1 1 1      -6   25   16 o    3.098000      0.6953000       2.841000 1.030000       3.356000      0.9340000     -0.5148000       1.391000
  1 1 1      -6   25   17 o    2.237000      0.6434000       1.997000 0.8976000       2.477000      0.9219000     -0.4798000       1.287000
  1 1 1      -6   25   18 o    2.163000      0.6599000       2.354000 0.9897000       1.971000      0.8732000      0.3836000       1.320000
  1 1 1      -6   25   19 o    2.464000      0.6669000       2.002000 0.9033000       2.925000      0.9814000     -0.9229000       1.334000
  1 1 1      -6   25   20 o    2.239000      0.6126000       3.144000 1.030000       1.334000      0.6631000       1.810000       1.225000
  1 1 1      -6   25   21 o    2.402000      0.6758000       2.961000 1.048000       1.844000      0.8534000       1.116000       1.352000
  1 1 1      -6   26    1 o    2.282000      0.6795000       2.679000 1.044000       1.885000      0.8695000      0.7932000       1.359000
  1 1 1      -6   26    2 o    3.601000      0.7182000       4.133000 1.010000       3.068000       1.021000       1.065000       1.436000
  1 1 1      -6   26    3 o    1.804000      0.5900000       1.629000 0.7904000       1.979000      0.8763000     -0.3494000       1.180000
  1 1 1      -6   26    4 o    2.777000      0.7000000       2.506000 1.017000       3.048000      0.9618000     -0.5420000       1.400000
  1 1 1      -6   26    5 f    2.428000      0.6680000       2.156000 0.9496000       2.700000      0.9397000     -0.5434000       1.336000
  1 1 1      -6   26    6 o    3.967000      0.6091000       2.951000 1.015000       4.984000      0.6731000      -2.033000       1.218000
  1 1 1      -6   26    7 o    4.920000      0.5443000       4.290000 0.9221000       5.550000      0.5785000      -1.259000       1.089000
  1 1 1      -6   26    8 o    1.999000      0.6187000       2.424000 0.9959000       1.574000      0.7345000      0.8503000       1.237000
  1 1 1      -6   26    9 o    2.511000      0.5990000       1.630000 0.7807000       3.391000      0.9087000      -1.761000       1.198000
  1 1 1      -6   26   10 o    1.837000      0.5995000       1.924000 0.8826000       1.749000      0.8116000      0.1752000       1.199000
  1 1 1      -6   26   11 o    2.637000      0.7004000       2.476000 1.002000       2.798000      0.9792000     -0.3218000       1.401000
  1 1 1      -6   26   12 o    4.155000      0.6577000       3.808000 1.031000       4.502000      0.8170000     -0.6946000       1.315000
  1 1 1      -6   26   13 o    4.862000      0.5688000       5.220000 0.8191000       4.504000      0.7895000      0.7164000       1.138000
  1 1 1      -6   26   14 o    3.673000      0.6922000       3.521000 1.053000       3.826000      0.8989000     -0.3051000       1.384000
  1 1 1      -6   26   15 o    2.930000      0.7309000       3.045000 1.076000       2.815000      0.9891000      0.2306000       1.462000
  1 1 1      -6   26   16 o    3.284000      0.7207000       3.305000 1.071000       3.264000      0.9648000      0.4144000E-01   1.441000
  1 1 1      -6   26   17 o    2.936000      0.6805000       2.119000 0.9559000       3.754000      0.9689000      -1.634000       1.361000
  1 1 1      -6   26   18 f    2.929000      0.7260000       2.500000 1.024000       3.358000       1.029000     -0.8578000       1.452000
  1 1 1      -6   26   19 o    1.917000      0.6123000       1.764000 0.8368000       2.070000      0.8941000     -0.3059000       1.225000
  1 1 1      -6   27    1 o    3.080000      0.7634000       2.801000 1.101000       3.360000       1.058000     -0.5593000       1.527000
  1 1 1      -6   27    2 o    2.821000      0.7017000       2.342000 0.9985000       3.299000      0.9861000     -0.9566000       1.403000
  1 1 1      -6   27    3 o    3.082000      0.7138000       2.571000 1.043000       3.592000      0.9747000      -1.021000       1.428000
  1 1 1      -6   27    4 o    4.979000      0.5999000       4.825000 0.9185000       5.133000      0.7720000     -0.3077000       1.200000
  1 1 1      -6   27    5 o    5.841000      0.5062000       5.722000 0.7676000       5.961000      0.6602000     -0.2386000       1.012000
  1 1 1      -6   27    6 o    6.206000      0.5007000       6.092000 0.7581000       6.321000      0.6542000     -0.2292000       1.001000
  1 1 1      -6   27    7 o    5.178000      0.5799000       4.791000 0.9361000       5.566000      0.6846000     -0.7745000       1.160000
  1 1 1      -6   27    8 f    3.541000      0.6656000       2.640000 1.031000       4.442000      0.8426000      -1.803000       1.331000
  1 1 1      -6   27    9 o    4.455000      0.6129000       4.105000 0.9591000       4.804000      0.7634000     -0.6997000       1.226000
  1 1 1      -6   27   10 o    2.336000      0.6916000       2.451000 1.026000       2.221000      0.9273000      0.2296000       1.383000
  1 1 1      -6   27   11 o    2.544000      0.6874000       2.305000 0.9845000       2.783000      0.9596000     -0.4777000       1.375000
  1 1 1      -6   27   12 o    2.112000      0.6596000       2.343000 1.002000       1.881000      0.8579000      0.4619000       1.319000
  1 1 1      -6   27   13 o    2.439000      0.7008000       2.549000 1.013000       2.328000      0.9687000      0.2217000       1.402000
  1 1 1      -6   27   14 o    2.381000      0.6774000       1.890000 0.8881000       2.871000       1.023000     -0.9809000       1.355000
  1 1 1      -6   27   15 o    1.926000      0.6209000       1.844000 0.8697000       2.008000      0.8863000     -0.1640000       1.242000
  1 1 1      -6   27   16 o    3.046000      0.7490000       3.060000 1.104000       3.033000       1.013000      0.2668000E-01   1.498000
  1 1 1      -6   27   17 o    4.038000      0.6980000       4.470000 0.9669000       3.607000       1.007000      0.8634000       1.396000
  1 1 1      -6   28    1 o    3.208000      0.8235000       3.336000 1.218000       3.080000       1.108000      0.2553000       1.647000
  1 1 1      -6   28    2 o    7.422000      0.5064000       7.734000 0.7685000       7.110000      0.6596000      0.6240000       1.013000
  1 1 1      -6   28    3 f    7.153000      0.4811000       6.018000 0.7710000       8.287000      0.5757000      -2.269000      0.9622000
  1 1 1      -6   28    4 o    6.079000      0.5857000       6.272000 0.8411000       5.885000      0.8152000      0.3870000       1.171000
  1 1 1      -6   28    5 o    4.897000      0.7063000       4.237000 1.115000       5.557000      0.8673000      -1.320000       1.413000
  1 1 1      -6   28    6 o    2.677000      0.7391000       3.021000 1.118000       2.332000      0.9664000      0.6886000       1.478000
  1 1 1      -6   28    7 o    2.557000      0.7089000       2.272000 0.9856000       2.841000       1.019000     -0.5688000       1.418000
  1 1 1      -6   28    8 o    3.459000      0.7247000       3.911000 1.068000       3.007000      0.9797000      0.9037000       1.449000
  1 1 1      -6   28    9 o    2.703000      0.7405000       2.966000 1.085000       2.440000       1.008000      0.5267000       1.481000
  1 1 1      -6   28   10 o    3.708000      0.7106000       2.828000 1.069000       4.587000      0.9370000      -1.759000       1.421000
  1 1 1      -6   28   11 o    2.886000      0.6900000       3.958000 1.091000       1.815000      0.8452000       2.143000       1.380000
  1 1 1      -6   28   12 o    2.211000      0.6625000       1.801000 0.8520000       2.620000       1.015000     -0.8187000       1.325000
  1 1 1      -6   28   13 o    2.825000      0.7377000       2.587000 1.058000       3.062000       1.028000     -0.4750000       1.475000
  1 1 1      -6   28   14 o    2.904000      0.7248000       3.715000 1.118000       2.093000      0.9226000       1.621000       1.450000
  1 1 1      -6   29    1 o    3.363000      0.8114000       3.480000 1.168000       3.247000       1.127000      0.2334000       1.623000
  1 1 1      -6   29    2 o    5.747000      0.7333000       5.361000 1.152000       6.132000      0.9080000     -0.7712000       1.467000
  1 1 1      -6   29    3 o    3.253000      0.8072000       2.704000 1.117000       3.801000       1.165000      -1.097000       1.614000
  1 1 1      -6   29    4 o    2.717000      0.7877000       2.940000 1.150000       2.494000       1.077000      0.4458000       1.575000
  1 1 1      -6   29    5 o    4.024000      0.7912000       3.939000 1.141000       4.109000       1.096000     -0.1701000       1.582000
  1 1 1      -6   29    6 o    4.337000      0.7413000       4.426000 1.036000       4.248000       1.061000      0.1781000       1.483000
  1 1 1      -6   29    7 o    5.323000      0.6061000       5.053000 0.9561000       5.593000      0.7452000     -0.5405000       1.212000
  1 1 1      -6   29    8 o    2.296000      0.7082000       2.143000 0.9704000       2.448000       1.032000     -0.3045000       1.416000
  1 1 1      -6   29    9 o    3.005000      0.7576000       2.710000 1.067000       3.301000       1.075000     -0.5915000       1.515000
  1 1 1      -6   29   10 o    2.313000      0.6978000       2.062000 0.9511000       2.564000       1.021000     -0.5018000       1.396000
  1 1 1      -6   29   11 o    2.150000      0.6823000       2.395000 1.030000       1.905000      0.8949000      0.4907000       1.365000
  1 1 1      -6   30    1 o    2.828000      0.7693000       2.552000 1.074000       3.104000       1.101000     -0.5521000       1.539000
  1 1 1      -6   30    2 o    3.245000      0.8024000       2.921000 1.119000       3.569000       1.151000     -0.6482000       1.605000
  1 1 1      -6   30    3 o    3.614000      0.8235000       4.050000 1.155000       3.178000       1.174000      0.8718000       1.647000
  1 1 1      -6   30    4 o    3.079000      0.8057000       2.844000 1.136000       3.315000       1.143000     -0.4703000       1.611000
  1 1 1      -6   30    5 o    1.827000      0.6133000       1.532000 0.7628000       2.123000      0.9606000     -0.5914000       1.227000
  1 1 1      -6   30    6 o    2.218000      0.7041000       1.949000 0.9275000       2.486000       1.060000     -0.5370000       1.408000
  1 1 1      -6   30    7 o    2.670000       1.142000       2.670000 1.142000                  ?              ?              ?              ?
  1 1 1      -5  -35    1 o    3.448000      0.8746000       3.828000 1.293000       3.069000       1.178000      0.7588000       1.749000
  1 1 1      -5  -35    2 o    2.719000      0.7581000       2.337000 1.057000       3.101000       1.088000     -0.7639000       1.516000
  1 1 1      -5  -35    3 o    4.284000      0.7997000       4.194000 1.245000       4.373000       1.004000     -0.1794000       1.599000
  1 1 1      -5  -35    4 o    2.327000      0.7371000       2.596000 1.131000       2.058000      0.9454000      0.5380000       1.474000
  1 1 1      -5  -35    5 o    2.550000      0.7682000       3.128000 1.229000       1.973000      0.9225000       1.155000       1.536000
  1 1 1      -5  -35    6 o    3.112000       1.240000       3.112000 1.240000                  ?              ?              ?              ?
  1 1 1      -5  -34    1 o    1.999000      0.6657000       1.930000 0.9322000       2.068000      0.9506000     -0.1380000       1.331000
  1 1 1      -5  -34    2 o    4.521000      0.7697000       5.102000 1.080000       3.939000       1.097000       1.163000       1.539000
  1 1 1      -5  -34    3 o    3.852000      0.7618000       5.089000 1.098000       2.615000       1.057000       2.474000       1.524000
  1 1 1      -5  -34    4 o    3.410000      0.8384000       3.683000 1.260000       3.138000       1.106000      0.5446000       1.677000
  1 1 1      -5  -34    5 o    3.474000      0.7974000       4.531000 1.223000       2.417000       1.023000       2.114000       1.595000
  1 1 1      -5  -34    6 o    2.867000      0.7789000       2.410000 1.092000       3.323000       1.111000     -0.9129000       1.558000
  1 1 1      -5  -34    7 o    2.804000      0.7401000       2.240000 1.021000       3.368000       1.072000      -1.128000       1.480000
  1 1 1      -5  -34    8 o    2.503000      0.7520000       2.557000 1.094000       2.449000       1.032000      0.1076000       1.504000
  1 1 1      -5  -34    9 o    2.797000      0.7860000       2.919000 1.145000       2.675000       1.077000      0.2434000       1.572000
  1 1 1      -5  -34   10 o    1.979000      0.9340000       1.979000 0.9340000                  ?              ?              ?              ?
  1 1 1      -5  -33    1 o    3.173000      0.8215000       3.435000 1.214000       2.911000       1.107000      0.5241000       1.643000
  1 1 1      -5  -33    2 o    4.194000      0.7225000       5.696000 0.9478000       2.692000       1.091000       3.004000       1.445000
  1 1 1      -5  -33    3 o    2.792000      0.7712000       2.417000 1.079000       3.166000       1.102000     -0.7489000       1.542000
  1 1 1      -5  -33    4 o    3.690000      0.8368000       3.800000 1.248000       3.579000       1.115000      0.2206000       1.674000
  1 1 1      -5  -33    5 o    3.939000      0.7087000       2.662000 1.131000       5.216000      0.8546000      -2.554000       1.417000
  1 1 1      -5  -33    6 o    2.484000      0.7430000       2.471000 1.085000       2.498000       1.016000     -0.2660000E-01   1.486000
  1 1 1      -5  -33    7 o    2.274000      0.6894000       2.586000 1.060000       1.962000      0.8814000      0.6242000       1.379000
  1 1 1      -5  -33    8 o    2.825000      0.7136000       3.630000 1.109000       2.019000      0.8983000       1.611000       1.427000
  1 1 1      -5  -33    9 o    2.698000      0.7443000       3.383000 1.173000       2.013000      0.9162000       1.370000       1.489000
  1 1 1      -5  -33   10 o    2.496000      0.7440000       2.831000 1.132000       2.162000      0.9659000      0.6694000       1.488000
  1 1 1      -5  -33   11 o    5.479000      0.5964000       5.834000 0.8518000       5.124000      0.8351000      0.7104000       1.193000
  1 1 1      -5  -33   12 o    3.729000      0.7565000       3.276000 1.134000       4.183000       1.002000     -0.9073000       1.513000
  1 1 1      -5  -33   13 o    2.552000      0.7303000       2.582000 1.049000       2.522000       1.016000      0.5951000E-01   1.461000
  1 1 1      -5  -33   14 o    2.790000       1.259000       2.790000 1.259000                  ?              ?              ?              ?
  1 1 1      -5  -32    1 o    3.006000      0.7468000       3.953000 1.158000       2.060000      0.9436000       1.893000       1.494000
  1 1 1      -5  -32    2 o    3.752000      0.7191000       5.167000 1.015000       2.337000       1.019000       2.830000       1.438000
  1 1 1      -5  -32    3 o    2.295000      0.7162000       2.121000 0.9889000       2.469000       1.036000     -0.3481000       1.432000
  1 1 1      -5  -32    4 o    3.678000      0.8130000       3.673000 1.207000       3.682000       1.090000     -0.9239000E-02   1.626000
  1 1 1      -5  -32    5 f    3.937000      0.8124000       3.623000 1.281000       4.252000      0.9999000     -0.6289000       1.625000
  1 1 1      -5  -32    6 o    2.791000      0.7405000       2.989000 1.108000       2.593000      0.9832000      0.3961000       1.481000
  1 1 1      -5  -32    7 o    2.644000      0.7181000       2.259000 1.012000       3.028000       1.019000     -0.7689000       1.436000
  1 1 1      -5  -32    8 o    2.401000      0.6934000       1.965000 0.9261000       2.838000       1.032000     -0.8734000       1.387000
  1 1 1      -5  -32    9 o    2.354000      0.7172000       2.448000 1.056000       2.259000      0.9704000      0.1888000       1.434000
  1 1 1      -5  -32   10 o    2.145000      0.6736000       2.183000 0.9796000       2.108000      0.9247000      0.7542000E-01   1.347000
  1 1 1      -5  -32   11 o    2.608000      0.7358000       3.087000 1.135000       2.129000      0.9369000      0.9585000       1.472000
  1 1 1      -5  -32   12 o    2.808000      0.6749000       1.924000 0.8921000       3.691000       1.013000      -1.768000       1.350000
  1 1 1      -5  -32   13 o    2.690000      0.7082000       2.648000 1.025000       2.733000      0.9775000     -0.8454000E-01   1.416000
  1 1 1      -5  -32   14 o    2.137000      0.6665000       2.338000 0.9998000       1.936000      0.8817000      0.4020000       1.333000
  1 1 1      -5  -32   15 o    2.567000      0.7117000       3.002000 1.076000       2.132000      0.9321000      0.8703000       1.423000
  1 1 1      -5  -32   16 o    3.509000      0.6941000       3.865000 0.9453000       3.153000       1.017000      0.7119000       1.388000
  1 1 1      -5  -31    1 o    3.406000      0.7344000       3.485000 1.054000       3.326000       1.023000      0.1587000       1.469000
  1 1 1      -5  -31    2 o    2.307000      0.6903000       2.121000 0.9484000       2.493000       1.003000     -0.3719000       1.381000
  1 1 1      -5  -31    3 o    2.768000      0.7374000       2.490000 1.027000       3.046000       1.058000     -0.5566000       1.475000
  1 1 1      -5  -31    4 o    1.916000      0.6150000       2.175000 0.9474000       1.657000      0.7843000      0.5182000       1.230000
  1 1 1      -5  -31    5 o    2.228000      0.6670000       2.503000 1.019000       1.953000      0.8605000      0.5494000       1.334000
  1 1 1      -5  -31    6 f    2.447000      0.6913000       2.233000 0.9642000       2.661000      0.9909000     -0.4274000       1.383000
  1 1 1      -5  -31    7 o    3.340000      0.6374000       2.213000 0.9596000       4.468000      0.8392000      -2.256000       1.275000
  1 1 1      -5  -31    8 f    2.614000      0.6298000       3.672000 1.018000       1.555000      0.7411000       2.117000       1.260000
  1 1 1      -5  -31    9 o    2.953000      0.7437000       3.014000 1.096000       2.892000       1.005000      0.1216000       1.487000
  1 1 1      -5  -31   10 o    2.441000      0.7103000       2.690000 1.063000       2.192000      0.9423000      0.4978000       1.421000
  1 1 1      -5  -31   11 o    2.740000       1.052000       2.740000 1.052000                  ?              ?              ?              ?
  1 1 1      -5  -31   12 o    5.673000      0.5034000       5.533000 0.7659000       5.813000      0.6534000     -0.2796000       1.007000
  1 1 1      -5  -31   13 o    1.848000      0.8456000                  ?       ?   1.848000      0.8456000                  ?              ?
  1 1 1      -5  -31   14 o    2.147000      0.6539000       2.070000 0.9353000       2.225000      0.9142000     -0.1549000       1.308000
  1 1 1      -5  -31   15 o    2.475000      0.6897000       2.232000 0.9503000       2.718000      0.9999000     -0.4862000       1.379000
  1 1 1      -5  -31   16 o    2.514000      0.6563000       2.954000 0.9670000       2.075000      0.8876000      0.8795000       1.313000
  1 1 1      -5  -31   17 o    3.587000      0.6593000       4.089000 0.9105000       3.086000      0.9539000       1.002000       1.319000
  1 1 1      -5  -31   18 o    2.783000      0.6793000       2.819000 0.9600000       2.747000      0.9613000      0.7211000E-01   1.359000
  1 1 1      -5  -30    1 f    4.388000      0.5850000       4.838000 0.7715000       3.937000      0.8797000      0.9017000       1.170000
  1 1 1      -5  -30    2 o    3.242000      0.6670000       2.880000 0.9806000       3.604000      0.9044000     -0.7241000       1.334000
  1 1 1      -5  -30    3 o    2.154000      0.6054000       1.771000 0.8083000       2.538000      0.9015000     -0.7670000       1.211000
  1 1 1      -5  -30    4 o    2.142000      0.6351000       2.444000 0.9767000       1.840000      0.8121000      0.6040000       1.270000
  1 1 1      -5  -30    5 o    2.610000      0.6550000       2.201000 0.9412000       3.019000      0.9112000     -0.8182000       1.310000
  1 1 1      -5  -30    6 o    5.332000      0.4619000       5.156000 0.7382000       5.508000      0.5555000     -0.3526000      0.9239000
  1 1 1      -5  -30    7 o    2.682000      0.6703000       3.284000 1.031000       2.081000      0.8575000       1.203000       1.341000
  1 1 1      -5  -30    8 f    2.425000      0.6745000       2.574000 1.008000       2.277000      0.8962000      0.2964000       1.349000
  1 1 1      -5  -30    9 o    2.928000      0.6688000       3.352000 1.001000       2.505000      0.8876000      0.8468000       1.338000
  1 1 1      -5  -30   10 o    1.542000      0.5205000       1.554000 0.7489000       1.530000      0.7230000      0.2407000E-01   1.041000
  1 1 1      -5  -30   11 o    3.995000      0.9464000       3.995000 0.9464000                  ?              ?              ?              ?
  1 1 1      -5  -30   12 o    3.668000      0.6842000       3.552000 1.033000       3.783000      0.8979000     -0.2317000       1.368000
  1 1 1      -5  -30   13 o    3.082000      0.9251000                  ?       ?   3.082000      0.9251000                  ?              ?
  1 1 1      -5  -30   14 o    3.672000      0.6580000       4.369000 0.9696000       2.975000      0.8897000       1.394000       1.316000
  1 1 1      -5  -30   15 o    3.415000      0.6752000       3.009000 1.015000       3.821000      0.8910000     -0.8122000       1.350000
  1 1 1      -5  -30   16 o    2.446000      0.6453000       2.797000 0.9420000       2.095000      0.8823000      0.7011000       1.291000
  1 1 1      -5  -30   17 o    2.516000      0.6458000       3.233000 1.001000       1.800000      0.8162000       1.432000       1.292000
  1 1 1      -5  -30   18 o    2.385000      0.6436000       2.803000 0.9815000       1.967000      0.8329000      0.8356000       1.287000
  1 1 1      -5  -30   19 o    2.086000      0.6272000       2.236000 0.9263000       1.935000      0.8459000      0.3003000       1.254000
  1 1 1      -5  -30   20 f    2.262000      0.6596000       2.462000 0.9613000       2.062000      0.9035000      0.3998000       1.319000
  1 1 1      -5  -29    1 o    3.407000      0.9847000       3.534000 1.379000       3.280000       1.406000      0.2538000       1.969000
  1 1 1      -5  -29    2 f    4.505000       1.070000       4.972000 1.506000       4.038000       1.519000      0.9338000       2.139000
  1 1 1      -5  -29    4 f    2.740000      0.8527000       2.528000 1.155000       2.951000       1.255000     -0.4224000       1.705000
  1 1 1      -5  -29    5 o    2.874000      0.8448000       2.186000 1.048000       3.561000       1.325000      -1.375000       1.690000
  1 1 1      -5  -29    6 o    5.750000      0.8763000       6.451000 1.110000       5.050000       1.356000       1.401000       1.753000
  1 1 1      -5  -29    7 o    5.198000      0.8643000       6.305000 1.077000       4.090000       1.352000       2.216000       1.729000
  1 1 1      -5  -29    8 o    2.688000      0.7893000       2.749000 1.142000       2.627000       1.090000      0.1223000       1.579000
  1 1 1      -5  -29    9 o    3.294000      0.7026000       4.333000 1.013000       2.255000      0.9733000       2.078000       1.405000
  1 1 1      -5  -29   10 o    2.844000      0.6999000       3.758000 1.086000       1.930000      0.8834000       1.828000       1.400000
  1 1 1      -5  -29   11 o    2.250000      0.6666000       2.771000 1.088000       1.729000      0.7702000       1.042000       1.333000
  1 1 1      -5  -29   12 o    2.060000      0.6065000       2.538000 0.9685000       1.583000      0.7303000      0.9555000       1.213000
  1 1 1      -5  -29   13 o    5.132000      0.5698000       4.964000 0.9944000       5.300000      0.5565000     -0.3368000       1.140000
  1 1 1      -5  -29   14 o    3.252000      0.6593000       3.368000 0.9730000       3.136000      0.8900000      0.2317000       1.319000
  1 1 1      -5  -29   15 o    3.195000      0.6178000       3.665000 0.8740000       2.725000      0.8735000      0.9407000       1.236000
  1 1 1      -5  -29   16 o    1.762000      0.5537000       1.805000 0.8071000       1.720000      0.7583000      0.8535000E-01   1.107000
  1 1 1      -5  -29   17 o    2.906000      0.6658000       2.567000 0.9707000       3.245000      0.9116000     -0.6782000       1.332000
  1 1 1      -5  -29   18 o    3.067000      0.6139000       2.330000 0.9314000       3.805000      0.8000000      -1.475000       1.228000
  1 1 1      -5  -29   19 o    3.448000      0.6118000       4.347000 0.7879000       2.550000      0.9362000       1.797000       1.224000
  1 1 1      -5  -29   20 o    5.219000      0.4856000       4.919000 0.7178000       5.519000      0.6542000     -0.6000000      0.9711000
  1 1 1      -5  -29   21 o    2.845000      0.6737000       3.111000 0.9406000       2.579000      0.9647000      0.5325000       1.347000
  1 1 1      -5  -29   22 o    2.670000      0.6910000       2.406000 0.9634000       2.934000      0.9908000     -0.5281000       1.382000
  1 1 1      -5  -28    1 o    1.785000      0.5576000       1.998000 0.8414000       1.572000      0.7318000      0.4266000       1.115000
  1 1 1      -5  -28    2 o    2.342000      0.6033000       2.211000 0.8519000       2.472000      0.8545000     -0.2612000       1.207000
  1 1 1      -5  -28    3 o    1.818000      0.5661000       1.829000 0.8155000       1.807000      0.7855000      0.2295000E-01   1.132000
  1 1 1      -5  -28    4 f    1.993000      0.5669000       2.416000 0.8906000       1.571000      0.7015000      0.8445000       1.134000
  1 1 1      -5  -28    5 o    2.556000      0.6096000       2.355000 0.9209000       2.758000      0.7991000     -0.4033000       1.219000
  1 1 1      -5  -28    6 o    2.513000      0.5466000       1.980000 0.8310000       3.046000      0.7104000      -1.066000       1.093000
  1 1 1      -5  -28    7 o    2.596000      0.6129000       2.880000 0.9388000       2.312000      0.7883000      0.5676000       1.226000
  1 1 1      -5  -28    8 o    1.503000      0.4929000       1.623000 0.7524000       1.382000      0.6368000      0.2405000      0.9857000
  1 1 1      -5  -28    9 o    2.459000      0.6091000       2.499000 0.9151000       2.420000      0.8041000      0.7837000E-01   1.218000
  1 1 1      -5  -28   10 o    2.245000      0.5933000       2.415000 0.9009000       2.075000      0.7724000      0.3398000       1.187000
  1 1 1      -5  -28   11 o    6.764000      0.3343000       6.743000 0.5173000       6.785000      0.4237000     -0.4243000E-01  0.6686000
  1 1 1      -5  -28   12 o    1.837000      0.5532000       2.387000 0.9130000       1.288000      0.6248000       1.099000       1.106000
  1 1 1      -5  -28   13 o    2.760000      0.6433000       1.911000 0.8169000       3.609000      0.9939000      -1.698000       1.287000
  1 1 1      -5  -28   14 o    7.100000      0.4160000       7.464000 0.5507000       6.737000      0.6238000      0.7272000      0.8321000
  1 1 1      -5  -28   15 o    4.481000      0.6448000       5.574000 0.7357000       3.388000       1.059000       2.186000       1.290000
  1 1 1      -5  -28   16 o    4.746000      0.5996000       5.499000 0.6705000       3.992000      0.9943000       1.507000       1.199000
  1 1 1      -5  -28   17 o    8.297000      0.3933000       7.721000 0.5215000       8.872000      0.5889000      -1.151000      0.7866000
  1 1 1      -5  -28   18 o    5.781000      0.5529000                  ?       ?   5.781000      0.5529000                  ?              ?
  1 1 1      -5  -28   19 o    1.722000      0.5598000       1.759000 0.8038000       1.685000      0.7792000      0.7377000E-01   1.120000
  1 1 1      -5  -28   20 o    2.574000      0.6332000       2.127000 0.8650000       3.020000      0.9249000     -0.8934000       1.266000
  1 1 1      -5  -28   21 o    6.443000      0.4463000       6.608000 0.6760000       6.278000      0.5828000      0.3295000      0.8925000
  1 1 1      -5  -28   22 o    2.444000      0.6447000       2.124000 0.8812000       2.764000      0.9414000     -0.6397000       1.289000
  1 1 1      -5  -28   23 o    1.721000      0.5667000       1.538000 0.7414000       1.904000      0.8574000     -0.3665000       1.133000
  1 1 1      -5  -27    1 o    2.637000      0.5628000       1.862000 0.8051000       3.411000      0.7866000      -1.549000       1.126000
  1 1 1      -5  -27    2 o    2.366000      0.5913000       3.064000 0.9102000       1.668000      0.7550000       1.396000       1.183000
  1 1 1      -5  -27    3 o    2.013000      0.5832000       2.313000 0.8895000       1.714000      0.7544000      0.5984000       1.166000
  1 1 1      -5  -27    4 o    2.394000      0.5638000       3.446000 0.9266000       1.341000      0.6423000       2.106000       1.128000
  1 1 1      -5  -27    5 o    4.080000      0.4702000       4.892000 0.6134000       3.267000      0.7128000       1.625000      0.9404000
  1 1 1      -5  -27    6 o    3.150000      0.5918000       2.491000 0.9580000       3.810000      0.6951000      -1.319000       1.184000
  1 1 1      -5  -27    7 o    4.631000      0.5124000       4.294000 0.8733000       4.968000      0.5361000     -0.6744000       1.025000
  1 1 1      -5  -27    8 o    8.690000      0.3336000       8.665000 0.5327000       8.715000      0.4017000     -0.5019000E-01  0.6672000
  1 1 1      -5  -27    9 o    2.864000      0.6639000       2.672000 1.041000       3.056000      0.8240000     -0.3846000       1.328000
  1 1 1      -5  -27   10 o    2.064000      0.5945000       1.958000 0.8838000       2.170000      0.7953000     -0.2124000       1.189000
  1 1 1      -5  -27   11 o    2.221000      0.6627000       2.339000 1.013000       2.103000      0.8542000      0.2353000       1.325000
  1 1 1      -5  -27   12 o    3.503000       1.201000       3.503000 1.201000                  ?              ?              ?              ?
  1 1 1      -5  -27   13 o    4.222000      0.6816000       4.204000 1.192000       4.241000      0.6616000     -0.3782000E-01   1.363000
  1 1 1      -5  -27   14 f    7.693000      0.3489000                  ?       ?   7.693000      0.3489000                  ?              ?
  1 1 1      -5  -27   15 o    4.647000      0.4112000       4.561000 0.6136000       4.733000      0.5475000     -0.1729000      0.8223000
  1 1 1      -5  -27   16 o    2.640000      0.5868000       2.872000 0.8391000       2.408000      0.8206000      0.4639000       1.174000
  1 1 1      -5  -27   17 o    5.016000      0.4029000       4.636000 0.6108000       5.396000      0.5255000     -0.7606000      0.8057000
  1 1 1      -5  -27   18 o    1.827000      0.5519000       1.891000 0.7788000       1.763000      0.7821000      0.1281000       1.104000
  1 1 1      -5  -27   19 o    2.522000      0.6690000       2.096000 0.8075000       2.948000       1.067000     -0.8520000       1.338000
  1 1 1      -5  -27   20 o    2.801000      0.6901000       3.358000 0.9481000       2.244000       1.003000       1.114000       1.380000
  1 1 1      -5  -27   21 o    2.097000      0.6570000       1.722000 0.7994000       2.472000       1.043000     -0.7501000       1.314000
  1 1 1      -5  -27   22 o    4.846000      0.6636000       5.291000 0.7617000       4.402000       1.087000      0.8889000       1.327000
  1 1 1      -5  -27   23 o    2.154000      0.6342000       2.235000 0.9020000       2.073000      0.8917000      0.1616000       1.268000
  1 1 1      -5  -27   24 o    4.633000      0.4857000       4.727000 0.6565000       4.539000      0.7161000      0.1881000      0.9715000
  1 1 1      -5  -27   25 o    2.660000       1.165000       2.660000 1.165000                  ?              ?              ?              ?
  1 1 1      -5  -26    1 o    4.326000      0.4701000       3.547000 0.8108000       5.104000      0.4760000      -1.557000      0.9402000
  1 1 1      -5  -26    2 f    2.956000      0.5579000       3.531000 0.7638000       2.380000      0.8133000       1.150000       1.116000
  1 1 1      -5  -26    3 o    4.366000      0.4798000       3.464000 0.8336000       5.268000      0.4754000      -1.804000      0.9596000
  1 1 1      -5  -26    4 o    8.741000      0.2728000       8.854000 0.4170000       8.629000      0.3520000      0.2246000      0.5457000
  1 1 1      -5  -26    5 o    10.33000      0.2658000       10.54000 0.4074000       10.11000      0.3416000      0.4237000      0.5317000
  1 1 1      -5  -26    6 o    8.380000      0.2609000       8.103000 0.4033000       8.657000      0.3313000     -0.5538000      0.5219000
  1 1 1      -5  -26    7 o    8.175000      0.2610000       8.230000 0.3973000       8.120000      0.3386000      0.1099000      0.5220000
  1 1 1      -5  -26    8 o    6.326000      0.3226000       6.040000 0.5108000       6.612000      0.3943000     -0.5713000      0.6453000
  1 1 1      -5  -26    9 o    8.439000      0.2741000       8.490000 0.4220000       8.389000      0.3499000      0.1012000      0.5482000
  1 1 1      -5  -26   10 o    4.101000      0.4243000       4.315000 0.6255000       3.887000      0.5736000      0.4283000      0.8487000
  1 1 1      -5  -26   11 o    4.373000      0.3539000       4.216000 0.5403000       4.530000      0.4572000     -0.3149000      0.7078000
  1 1 1      -5  -26   12 o    7.296000      0.3739000       7.296000 0.3739000                  ?              ?              ?              ?
  1 1 1      -5  -26   13 o    3.830000      0.4310000       3.613000 0.6772000       4.047000      0.5332000     -0.4347000      0.8619000
  1 1 1      -5  -26   14 o    4.640000      0.4652000                  ?       ?   4.640000      0.4652000                  ?              ?
  1 1 1      -5  -26   15 o    5.003000      0.5173000       5.456000 0.9490000       4.550000      0.4120000      0.9059000       1.035000
  1 1 1      -5  -26   16 o    2.098000      0.6641000       2.297000 1.035000       1.899000      0.8328000      0.3974000       1.328000
  1 1 1      -5  -26   17 o    2.270000      0.6894000       2.201000 1.007000       2.339000      0.9417000     -0.1379000       1.379000
  1 1 1      -5  -26   18 o    5.311000      0.6442000       4.387000 1.134000       6.235000      0.6117000      -1.848000       1.288000
  1 1 1      -5  -26   19 f    2.190000      0.5762000       2.155000 0.8260000       2.225000      0.8035000     -0.6992000E-01   1.152000
  1 1 1      -5  -26   20 o    3.795000      0.5255000       3.498000 0.7832000       4.091000      0.7010000     -0.5935000       1.051000
  1 1 1      -5  -26   21 o    4.996000      0.3962000       5.210000 0.5216000       4.782000      0.5965000      0.4278000      0.7923000
  1 1 1      -5  -26   22 o    4.591000      0.4895000       5.290000 0.5825000       3.892000      0.7867000       1.398000      0.9789000
  1 1 1      -5  -26   23 o    2.291000      0.6832000       1.654000 0.7555000       2.929000       1.138000      -1.275000       1.366000
  1 1 1      -5  -26   24 f    2.794000      0.6875000       1.592000 0.7619000       3.996000       1.145000      -2.404000       1.375000
  1 1 1      -5  -26   25 o    2.478000      0.7250000       2.435000 0.9667000       2.522000       1.081000     -0.8675000E-01   1.450000
  1 1 1      -5  -26   26 o    1.971000      0.5989000       2.293000 0.9142000       1.649000      0.7740000      0.6440000       1.198000
  1 1 1      -5  -25    1 o    7.438000      0.2770000       7.786000 0.4060000       7.090000      0.3769000      0.6954000      0.5540000
  1 1 1      -5  -25    2 o    12.96000      0.2783000       12.92000 0.4321000       12.99000      0.3508000     -0.7359000E-01  0.5566000
  1 1 1      -5  -25    3 o    12.47000      0.2638000       12.21000 0.4033000       12.73000      0.3401000     -0.5262000      0.5275000
  1 1 1      -5  -25    4 o    11.03000      0.2576000       10.99000 0.3987000       11.06000      0.3262000     -0.6548000E-01  0.5151000
  1 1 1      -5  -25    5 f    5.215000      0.3652000       4.172000 0.6483000       6.258000      0.3364000      -2.086000      0.7304000
  1 1 1      -5  -25    6 o    8.954000      0.2262000       8.947000 0.3456000       8.960000      0.2919000     -0.1243000E-01  0.4524000
  1 1 1      -5  -25    7 o    2.158000      0.4345000       3.246000 0.6977000       1.070000      0.5181000       2.175000      0.8690000
  1 1 1      -5  -25    8 o    5.069000      0.3349000       4.719000 0.5494000       5.418000      0.3830000     -0.6989000      0.6697000
  1 1 1      -5  -25    9 o    9.205000      0.2355000       9.272000 0.3504000       9.139000      0.3147000      0.1330000      0.4709000
  1 1 1      -5  -25   10 o    6.205000      0.2746000       6.189000 0.3991000       6.222000      0.3773000     -0.3297000E-01  0.5492000
  1 1 1      -5  -25   11 o    6.824000      0.2603000       6.291000 0.3975000       7.357000      0.3363000      -1.066000      0.5207000
  1 1 1      -5  -25   12 o    3.060000      0.4834000       3.647000 0.6654000       2.473000      0.7014000       1.174000      0.9668000
  1 1 1      -5  -25   13 o    6.284000      0.2627000       6.454000 0.3879000       6.113000      0.3544000      0.3410000      0.5254000
  1 1 1      -5  -25   14 o    4.043000      0.3827000       3.832000 0.5840000       4.254000      0.4949000     -0.4215000      0.7655000
  1 1 1      -5  -25   15 o    1.964000      0.5054000       1.564000 0.6739000       2.364000      0.7534000     -0.8003000       1.011000
  1 1 1      -5  -25   16 o    6.479000      0.2750000       6.146000 0.4001000       6.811000      0.3774000     -0.6643000      0.5500000
  1 1 1      -5  -25   17 o    2.222000      0.5498000       2.425000 0.7810000       2.019000      0.7742000      0.4063000       1.100000
  1 1 1      -5  -25   18 o    7.798000      0.2645000       7.980000 0.3751000       7.617000      0.3731000      0.3632000      0.5290000
  1 1 1      -5  -25   19 o    2.619000      0.5406000       3.232000 0.7484000       2.005000      0.7803000       1.227000       1.081000
  1 1 1      -5  -25   20 o    6.902000      0.5141000       7.709000 0.8159000       6.095000      0.6257000       1.614000       1.028000
  1 1 1      -5  -25   21 o    4.198000      0.7959000       4.528000 1.256000       3.869000      0.9780000      0.6589000       1.592000
  1 1 1      -5  -25   22 o    3.622000      0.7646000       3.357000 1.185000       3.886000      0.9667000     -0.5292000       1.529000
  1 1 1      -5  -25   23 o    2.149000      0.6082000       2.097000 0.8514000       2.201000      0.8687000     -0.1040000       1.216000
  1 1 1      -5  -25   24 o    1.793000      0.5682000       1.651000 0.7623000       1.935000      0.8427000     -0.2836000       1.136000
  1 1 1      -5  -25   25 o    5.097000      0.4699000       5.502000 0.5997000       4.691000      0.7237000      0.8114000      0.9399000
  1 1 1      -5  -25   26 o    1.930000      0.6319000       1.373000 0.6701000       2.488000       1.071000      -1.115000       1.264000
  1 1 1      -5  -25   27 o    3.025000      0.8005000       2.909000 1.107000       3.142000       1.156000     -0.2327000       1.601000
  1 1 1      -5  -24    1 o    6.261000      0.2624000       6.677000 0.3721000       5.844000      0.3702000      0.8330000      0.5249000
  1 1 1      -5  -24    2 o    1.675000      0.4804000       2.071000 0.7554000       1.280000      0.5939000      0.7915000      0.9608000
  1 1 1      -5  -24    3 o    9.609000      0.2423000       9.896000 0.3708000       9.321000      0.3121000      0.5742000      0.4847000
  1 1 1      -5  -24    4 o    3.049000      0.4791000       3.373000 0.7314000       2.724000      0.6189000      0.6492000      0.9581000
  1 1 1      -5  -24    5 o    3.168000      0.4287000       3.167000 0.6836000       3.168000      0.5174000     -0.1464000E-02  0.8573000
  1 1 1      -5  -24    6 o    7.829000      0.2302000       7.360000 0.3581000       8.298000      0.2892000     -0.9386000      0.4603000
  1 1 1      -5  -24    7 o    3.816000      0.3637000       3.960000 0.5643000       3.673000      0.4589000      0.2864000      0.7273000
  1 1 1      -5  -24    8 o    7.039000      0.2311000       6.989000 0.3534000       7.089000      0.2981000     -0.1000000      0.4623000
  1 1 1      -5  -24    9 o    10.64000      0.2102000       10.59000 0.3069000       10.70000      0.2874000     -0.1050000      0.4205000
  1 1 1      -5  -24   10 o    4.083000      0.3272000       4.131000 0.4761000       4.036000      0.4491000      0.9551000E-01  0.6545000
  1 1 1      -5  -24   11 o    8.185000      0.2217000       8.167000 0.3249000       8.204000      0.3017000     -0.3643000E-01  0.4434000
  1 1 1      -5  -24   12 o    1.562000      0.4615000       1.514000 0.6474000       1.609000      0.6580000     -0.9489000E-01  0.9231000
  1 1 1      -5  -24   13 o    5.532000      0.2673000       5.477000 0.3873000       5.587000      0.3685000     -0.1102000      0.5345000
  1 1 1      -5  -24   14 o    5.250000      0.2907000       5.375000 0.3992000       5.125000      0.4228000      0.2495000      0.5815000
  1 1 1      -5  -24   15 f    4.146000      0.3642000       4.363000 0.4807000       3.930000      0.5473000      0.4328000      0.7284000
  1 1 1      -5  -24   16 o    5.204000      0.3037000       5.648000 0.3843000       4.760000      0.4703000      0.8880000      0.6074000
  1 1 1      -5  -24   17 o    1.844000      0.5055000       1.995000 0.7222000       1.692000      0.7076000      0.3025000       1.011000
  1 1 1      -5  -24   18 o    2.363000      0.5406000       2.137000 0.7392000       2.589000      0.7891000     -0.4511000       1.081000
  1 1 1      -5  -24   19 o    3.526000      0.4427000       3.369000 0.6127000       3.683000      0.6391000     -0.3140000      0.8854000
  1 1 1      -5  -24   20 o    1.903000      0.5250000       2.007000 0.7397000       1.799000      0.7453000      0.2081000       1.050000
  1 1 1      -5  -24   21 o    3.127000      0.5199000       3.309000 0.7005000       2.944000      0.7683000      0.3654000       1.040000
  1 1 1      -5  -24   22 f    4.393000      0.4619000       4.115000 0.6752000       4.670000      0.6306000     -0.5548000      0.9238000
  1 1 1      -5  -24   23 o    4.611000      0.4088000       3.962000 0.6137000       5.261000      0.5403000      -1.299000      0.8177000
  1 1 1      -5  -24   24 o    3.751000      0.7547000       3.293000 1.179000       4.209000      0.9422000     -0.9163000       1.509000
  1 1 1      -5  -24   25 o    4.138000      0.7954000       3.697000 1.226000       4.579000       1.014000     -0.8820000       1.591000
  1 1 1      -5  -24   26 o    2.919000      0.6436000       3.222000 0.8865000       2.616000      0.9334000      0.6059000       1.287000
  1 1 1      -5  -24   27 o    2.529000      0.6574000       2.450000 0.9273000       2.609000      0.9322000     -0.1586000       1.315000
  1 1 1      -5  -24   28 o    2.439000      0.6376000       2.925000 0.9337000       1.953000      0.8685000      0.9721000       1.275000
  1 1 1      -5  -23    1 o    6.581000      0.2492000       6.371000 0.3744000       6.791000      0.3291000     -0.4195000      0.4985000
  1 1 1      -5  -23    2 o    4.828000      0.3127000       4.454000 0.5029000       5.202000      0.3718000     -0.7479000      0.6254000
  1 1 1      -5  -23    3 o    6.196000      0.2610000       5.981000 0.4117000       6.412000      0.3210000     -0.4312000      0.5220000
  1 1 1      -5  -23    4 o    6.007000      0.2451000       5.994000 0.3805000       6.019000      0.3089000     -0.2461000E-01  0.4901000
  1 1 1      -5  -23    5 o    2.664000      0.4470000       2.435000 0.7175000       2.893000      0.5334000     -0.4575000      0.8940000
  1 1 1      -5  -23    6 o    8.450000      0.2128000       8.707000 0.3217000       8.193000      0.2785000      0.5143000      0.4256000
  1 1 1      -5  -23    7 o    3.114000      0.4255000       3.163000 0.6559000       3.065000      0.5421000      0.9807000E-01  0.8509000
  1 1 1      -5  -23    8 o    4.316000      0.2727000       4.719000 0.3800000       3.913000      0.3914000      0.8062000      0.5455000
  1 1 1      -5  -23    9 o    4.546000      0.2958000       3.997000 0.4727000       5.096000      0.3556000      -1.099000      0.5915000
  1 1 1      -5  -23   10 o    6.896000      0.2155000       6.875000 0.3132000       6.917000      0.2960000     -0.4227000E-01  0.4310000
  1 1 1      -5  -23   11 o    3.757000      0.3481000       3.596000 0.5158000       3.917000      0.4678000     -0.3210000      0.6963000
  1 1 1      -5  -23   12 o    3.385000      0.3763000       3.386000 0.5312000       3.383000      0.5330000      0.2693000E-02  0.7525000
  1 1 1      -5  -23   13 o    7.481000      0.2985000       7.481000 0.2985000                  ?              ?              ?              ?
  1 1 1      -5  -23   14 o    2.009000      0.4555000       1.464000 0.6167000       2.555000      0.6705000      -1.091000      0.9110000
  1 1 1      -5  -23   15 o    3.974000      0.5060000                  ?       ?   3.974000      0.5060000                  ?              ?
  1 1 1      -5  -23   16 o    4.073000      0.3642000       3.717000 0.5543000       4.429000      0.4726000     -0.7125000      0.7284000
  1 1 1      -5  -23   17 o    4.074000      0.3608000       3.711000 0.5333000       4.436000      0.4859000     -0.7249000      0.7215000
  1 1 1      -5  -23   18 f    1.688000      0.4952000       1.600000 0.6692000       1.775000      0.7301000     -0.1751000      0.9904000
  1 1 1      -5  -23   19 f    3.448000      0.4581000       3.187000 0.6370000       3.710000      0.6585000     -0.5233000      0.9162000
  1 1 1      -5  -23   20 o    1.637000      0.4922000       1.736000 0.7025000       1.538000      0.6897000      0.1981000      0.9845000
  1 1 1      -5  -23   21 o    2.375000      0.5196000       1.693000 0.7248000       3.057000      0.7448000      -1.364000       1.039000
  1 1 1      -5  -23   22 o    2.489000      0.5495000       2.839000 0.7501000       2.140000      0.8033000      0.6984000       1.099000
  1 1 1      -5  -23   23 o    3.959000      0.5033000       3.895000 0.6977000       4.023000      0.7257000     -0.1276000       1.007000
  1 1 1      -5  -23   24 f    2.267000      0.5786000       1.605000 0.7356000       2.928000      0.8933000      -1.323000       1.157000
  1 1 1      -5  -23   25 o    1.916000      0.5757000       1.775000 0.7721000       2.057000      0.8543000     -0.2819000       1.151000
  1 1 1      -5  -23   26 o    2.619000      0.7453000       2.584000 1.077000       2.654000       1.030000     -0.6962000E-01   1.491000
  1 1 1      -5  -23   27 o    2.782000      0.7497000       3.930000 1.273000       1.633000      0.7916000       2.296000       1.499000
  1 1 1      -5  -23   28 o    2.825000      0.7729000       3.128000 1.181000       2.523000      0.9970000      0.6048000       1.546000
  1 1 1      -5  -23   29 o    1.964000      0.5905000       2.324000 0.9074000       1.604000      0.7560000      0.7197000       1.181000
  1 1 1      -5  -22    1 o    3.698000      0.3042000       3.684000 0.4539000       3.711000      0.4051000     -0.2700000E-01  0.6084000
  1 1 1      -5  -22    2 o    5.288000      0.2457000       5.537000 0.3698000       5.040000      0.3235000      0.4972000      0.4913000
  1 1 1      -5  -22    3 o    8.491000      0.1997000       8.742000 0.3027000       8.241000      0.2605000      0.5009000      0.3994000
  1 1 1      -5  -22    4 o    1.723000      0.4430000       1.842000 0.6604000       1.605000      0.5906000      0.2376000      0.8860000
  1 1 1      -5  -22    5 f    6.477000      0.2187000       6.511000 0.3368000       6.443000      0.2790000      0.6814000E-01  0.4373000
  1 1 1      -5  -22    6 f    4.297000      0.2899000       4.430000 0.4320000       4.164000      0.3866000      0.2654000      0.5797000
  1 1 1      -5  -22    7 f    2.079000      0.4435000       2.568000 0.6356000       1.590000      0.6188000      0.9775000      0.8871000
  1 1 1      -5  -22    8 o    2.968000      0.3687000       3.310000 0.4807000       2.626000      0.5591000      0.6840000      0.7373000
  1 1 1      -5  -22    9 o    1.354000      0.4008000       1.542000 0.6039000       1.166000      0.5271000      0.3757000      0.8016000
  1 1 1      -5  -22   10 o    7.268000      0.2049000       7.344000 0.2998000       7.191000      0.2793000      0.1528000      0.4098000
  1 1 1      -5  -22   11 o    2.797000      0.3960000       2.406000 0.6124000       3.189000      0.5023000     -0.7827000      0.7921000
  1 1 1      -5  -22   12 o    6.226000      0.2325000       6.295000 0.3281000       6.157000      0.3294000      0.1380000      0.4650000
  1 1 1      -5  -22   13 o    6.909000      0.3004000       6.909000 0.3004000                  ?              ?              ?              ?
  1 1 1      -5  -22   14 o    5.373000      0.2523000       5.308000 0.3456000       5.438000      0.3675000     -0.1297000      0.5045000
  1 1 1      -5  -22   15 o    2.681000      0.6696000                  ?       ?   2.681000      0.6696000                  ?              ?
  1 1 1      -5  -22   16 o    7.730000      0.2268000       7.630000 0.3200000       7.830000      0.3214000     -0.2002000      0.4535000
  1 1 1      -5  -22   17 o    5.711000      0.2602000       5.642000 0.3632000       5.781000      0.3728000     -0.1388000      0.5205000
  1 1 1      -5  -22   18 o    1.471000      0.4510000       1.596000 0.6576000       1.347000      0.6173000      0.2488000      0.9019000
  1 1 1      -5  -22   19 o    2.649000      0.5012000       2.213000 0.7246000       3.085000      0.6926000     -0.8712000       1.002000
  1 1 1      -5  -22   20 f    8.726000      0.2399000       8.545000 0.3366000       8.906000      0.3420000     -0.3608000      0.4799000
  1 1 1      -5  -22   21 o    6.341000      0.2956000       6.520000 0.3939000       6.163000      0.4409000      0.3573000      0.5912000
  1 1 1      -5  -22   22 o    1.972000      0.5495000       2.202000 0.8023000       1.743000      0.7511000      0.4592000       1.099000
  1 1 1      -5  -22   23 o    4.482000      0.4347000       4.794000 0.5138000       4.171000      0.7014000      0.6231000      0.8694000
  1 1 1      -5  -22   24 o    2.492000      0.5971000       2.670000 0.8314000       2.313000      0.8573000      0.3563000       1.194000
  1 1 1      -5  -22   25 o    4.027000      0.4948000       3.898000 0.7126000       4.157000      0.6866000     -0.2594000      0.9896000
  1 1 1      -5  -22   26 o    2.706000      0.6117000       2.146000 0.8301000       3.267000      0.8988000      -1.121000       1.223000
  1 1 1      -5  -22   27 o    2.676000      0.6225000       2.135000 0.8510000       3.217000      0.9086000      -1.081000       1.245000
  1 1 1      -5  -22   28 o    2.977000      0.6099000       2.730000 0.8347000       3.224000      0.8895000     -0.4941000       1.220000
  1 1 1      -5  -22   29 o    3.526000      0.8104000       3.397000 1.229000       3.655000       1.057000     -0.2585000       1.621000
  1 1 1      -5  -22   30 o    4.099000      0.7641000       3.863000 1.129000       4.335000       1.030000     -0.4716000       1.528000
  1 1 1      -5  -21    1 o    5.002000      0.2619000       4.846000 0.4012000       5.159000      0.3368000     -0.3129000      0.5238000
  1 1 1      -5  -21    2 o    3.173000      0.3681000       2.723000 0.6280000       3.623000      0.3843000     -0.9005000      0.7363000
  1 1 1      -5  -21    3 o    7.076000      0.1945000       6.932000 0.2960000       7.220000      0.2524000     -0.2881000      0.3890000
  1 1 1      -5  -21    4 o    8.724000      0.1881000       8.611000 0.2805000       8.838000      0.2506000     -0.2276000      0.3761000
  1 1 1      -5  -21    5 o    5.169000      0.2308000       4.886000 0.3618000       5.453000      0.2866000     -0.5666000      0.4615000
  1 1 1      -5  -21    6 o    2.981000      0.3272000       3.237000 0.4605000       2.724000      0.4649000      0.5129000      0.6544000
  1 1 1      -5  -21    7 f    5.894000      0.1935000       6.021000 0.2818000       5.768000      0.2651000      0.2526000      0.3869000
  1 1 1      -5  -21    8 o    4.601000      0.2323000       4.653000 0.3295000       4.550000      0.3277000      0.1025000      0.4647000
  1 1 1      -5  -21    9 o    3.676000      0.2875000       3.420000 0.4386000       3.933000      0.3719000     -0.5132000      0.5750000
  1 1 1      -5  -21   10 o    2.059000      0.4365000       2.018000 0.6231000       2.100000      0.6116000     -0.8242000E-01  0.8731000
  1 1 1      -5  -21   11 o    6.297000      0.2056000       6.292000 0.2809000       6.301000      0.3003000     -0.9395000E-02  0.4111000
  1 1 1      -5  -21   12 o    4.913000      0.2473000       5.092000 0.3343000       4.734000      0.3645000      0.3576000      0.4946000
  1 1 1      -5  -21   13 o    1.357000      0.4073000       1.458000 0.5816000       1.257000      0.5704000      0.2013000      0.8146000
  1 1 1      -5  -21   14 o    1.798000      0.4661000       1.900000 0.6584000       1.697000      0.6598000      0.2028000      0.9321000
  1 1 1      -5  -21   15 o    9.113000      0.2161000       8.570000 0.3102000       9.656000      0.3009000      -1.086000      0.4322000
  1 1 1      -5  -21   16 o    4.274000      0.3205000       4.717000 0.4154000       3.832000      0.4882000      0.8851000      0.6410000
  1 1 1      -5  -21   17 o    8.361000      0.2290000       8.611000 0.3263000       8.112000      0.3216000      0.4990000      0.4581000
  1 1 1      -5  -21   18 f    4.690000      0.3257000       4.884000 0.4388000       4.496000      0.4815000      0.3884000      0.6515000
  1 1 1      -5  -21   19 o    2.899000      0.4910000       3.505000 0.6100000       2.293000      0.7695000       1.212000      0.9819000
  1 1 1      -5  -21   20 o    6.730000      0.2692000       6.602000 0.3919000       6.859000      0.3691000     -0.2575000      0.5384000
  1 1 1      -5  -21   21 o    6.728000      0.2733000       6.356000 0.3900000       7.099000      0.3830000     -0.7431000      0.5467000
  1 1 1      -5  -21   22 o    5.614000      0.3207000       5.116000 0.4551000       6.112000      0.4519000     -0.9961000      0.6414000
  1 1 1      -5  -21   23 o    2.299000      0.5439000       1.546000 0.6945000       3.051000      0.8372000      -1.505000       1.088000
  1 1 1      -5  -21   24 o    2.003000      0.5604000       2.174000 0.7960000       1.832000      0.7890000      0.3418000       1.121000
  1 1 1      -5  -21   25 o    2.600000      0.6067000       2.504000 0.8372000       2.696000      0.8782000     -0.1920000       1.213000
  1 1 1      -5  -21   26 o    4.211000      0.5056000       4.206000 0.6786000       4.215000      0.7497000     -0.9368000E-02   1.011000
  1 1 1      -5  -21   27 o    2.043000      0.5873000       2.173000 0.8302000       1.913000      0.8310000      0.2600000       1.175000
  1 1 1      -5  -21   28 o    3.611000      0.5592000       4.468000 0.6339000       2.754000      0.9214000       1.714000       1.118000
  1 1 1      -5  -21   29 o    3.886000      0.5768000       3.592000 0.8345000       4.180000      0.7966000     -0.5879000       1.154000
  1 1 1      -5  -21   30 o    2.305000      0.5577000       2.931000 0.8029000       1.680000      0.7741000       1.251000       1.115000
  1 1 1      -5  -21   31 o    2.661000      0.7507000       2.883000 1.120000       2.439000      0.9996000      0.4439000       1.501000
  1 1 1      -5  -20    1 o    4.750000      0.6909000       5.042000 1.171000       4.458000      0.7338000      0.5840000       1.382000
  1 1 1      -5  -20    2 o    2.906000      0.5604000       3.429000 0.8346000       2.383000      0.7480000       1.046000       1.121000
  1 1 1      -5  -20    3 o    6.414000      0.2900000       6.410000 0.4450000       6.418000      0.3719000     -0.8555000E-02  0.5799000
  1 1 1      -5  -20    4 o    8.619000      0.2581000       8.749000 0.3864000       8.488000      0.3424000      0.2609000      0.5162000
  1 1 1      -5  -20    5 o    3.472000      0.3140000       3.628000 0.4312000       3.315000      0.4565000      0.3128000      0.6280000
  1 1 1      -5  -20    6 o    2.010000      0.4191000       1.871000 0.5900000       2.148000      0.5955000     -0.2770000      0.8383000
  1 1 1      -5  -20    7 o    8.154000      0.2234000       8.581000 0.3193000       7.728000      0.3125000      0.8527000      0.4468000
  1 1 1      -5  -20    8 o    3.129000      0.3402000       3.302000 0.4241000       2.957000      0.5319000      0.3446000      0.6803000
  1 1 1      -5  -20    9 o    2.184000      0.3865000       2.587000 0.4843000       1.780000      0.6024000      0.8071000      0.7730000
  1 1 1      -5  -20   10 o    3.272000      0.3319000       3.571000 0.4031000       2.972000      0.5275000      0.5990000      0.6639000
  1 1 1      -5  -20   11 o    5.286000      0.2197000       5.193000 0.3119000       5.379000      0.3096000     -0.1858000      0.4395000
  1 1 1      -5  -20   12 o    6.036000      0.2085000       5.916000 0.2975000       6.157000      0.2923000     -0.2410000      0.4170000
  1 1 1      -5  -20   13 o    2.683000      0.4271000       2.252000 0.6335000       3.114000      0.5729000     -0.8625000      0.8541000
  1 1 1      -5  -20   14 f    5.991000      0.2240000       6.040000 0.3120000       5.943000      0.3215000      0.9726000E-01  0.4480000
  1 1 1      -5  -20   15 o    6.458000      0.2280000       6.463000 0.3174000       6.454000      0.3274000      0.8856000E-02  0.4560000
  1 1 1      -5  -20   16 o    9.394000      0.2225000       8.966000 0.3181000       9.822000      0.3112000     -0.8558000      0.4450000
  1 1 1      -5  -20   17 o    5.226000      0.2817000       5.142000 0.3853000       5.311000      0.4111000     -0.1689000      0.5634000
  1 1 1      -5  -20   18 o    7.433000      0.2347000       7.407000 0.3262000       7.459000      0.3375000     -0.5293000E-01  0.4694000
  1 1 1      -5  -20   19 o    1.929000      0.5101000       1.952000 0.6979000       1.906000      0.7443000      0.4600000E-01   1.020000
  1 1 1      -5  -20   20 o    7.292000      0.2499000       7.362000 0.3371000       7.222000      0.3691000      0.1399000      0.4999000
  1 1 1      -5  -20   21 f    6.390000      0.2750000       6.378000 0.3750000       6.403000      0.4023000     -0.2435000E-01  0.5500000
  1 1 1      -5  -20   22 f    8.301000      0.2584000       8.441000 0.3561000       8.160000      0.3746000      0.2806000      0.5169000
  1 1 1      -5  -20   23 o    4.550000      0.4010000       4.479000 0.5556000       4.621000      0.5784000     -0.1421000      0.8020000
  1 1 1      -5  -20   24 o    4.177000      0.4346000       3.962000 0.6027000       4.392000      0.6264000     -0.4302000      0.8693000
  1 1 1      -5  -20   25 f    1.717000      0.5310000       1.837000 0.7635000       1.598000      0.7381000      0.2385000       1.062000
  1 1 1      -5  -20   26 o    1.984000      0.5408000       2.474000 0.8212000       1.493000      0.7039000      0.9811000       1.082000
  1 1 1      -5  -20   27 o    4.181000      0.5228000       3.796000 0.7714000       4.565000      0.7057000     -0.7691000       1.046000
  1 1 1      -5  -20   28 o    2.381000      0.6118000       2.578000 0.8547000       2.184000      0.8756000      0.3936000       1.224000
  1 1 1      -5  -20   29 o    2.142000      0.6122000       1.972000 0.8335000       2.312000      0.8971000     -0.3407000       1.224000
  1 1 1      -5  -20   30 o    3.839000      0.5863000       4.428000 0.7112000       3.251000      0.9324000       1.178000       1.173000
  1 1 1      -5  -20   31 o    2.549000      0.6423000       2.674000 0.8916000       2.424000      0.9249000      0.2507000       1.285000
  1 1 1      -5  -19    1 o    9.666000      0.1960000       9.631000 0.2974000       9.701000      0.2554000     -0.7000000E-01  0.3920000
  1 1 1      -5  -19    2 o    8.212000      0.2030000       8.331000 0.3335000       8.093000      0.2317000      0.2385000      0.4061000
  1 1 1      -5  -19    3 o    5.222000      0.1948000       5.626000 0.2862000       4.819000      0.2644000      0.8062000      0.3896000
  1 1 1      -5  -19    4 o    6.345000      0.1758000       6.206000 0.2648000       6.483000      0.2313000     -0.2769000      0.3516000
  1 1 1      -5  -19    5 o    4.545000      0.2024000       4.722000 0.2915000       4.367000      0.2809000      0.3551000      0.4048000
  1 1 1      -5  -19    6 o    8.925000      0.1705000       9.141000 0.2498000       8.708000      0.2323000      0.4336000      0.3411000
  1 1 1      -5  -19    7 o    8.934000      0.1739000       8.861000 0.2520000       9.006000      0.2396000     -0.1445000      0.3478000
  1 1 1      -5  -19    8 o    2.314000      0.3516000       2.623000 0.4412000       2.004000      0.5474000      0.6190000      0.7031000
  1 1 1      -5  -19    9 o    7.312000      0.1777000       7.324000 0.2626000       7.301000      0.2393000      0.2253000E-01  0.3553000
  1 1 1      -5  -19   10 o    2.228000      0.4430000       2.109000 0.5762000       2.346000      0.6730000     -0.2368000      0.8859000
  1 1 1      -5  -19   11 o    7.421000      0.2493000       7.217000 0.3225000       7.625000      0.3803000     -0.4076000      0.4986000
  1 1 1      -5  -19   12 o    2.191000      0.4444000       2.808000 0.5537000       1.575000      0.6953000       1.233000      0.8889000
  1 1 1      -5  -19   13 o    3.143000      0.4034000       2.833000 0.5335000       3.452000      0.6051000     -0.6195000      0.8067000
  1 1 1      -5  -19   14 o    1.044000      0.5015000       1.044000 0.5015000                  ?              ?              ?              ?
  1 1 1      -5  -19   15 f    6.301000      0.2240000       5.785000 0.3194000       6.817000      0.3141000      -1.032000      0.4479000
  1 1 1      -5  -19   16 o    5.340000      0.2635000       4.896000 0.3650000       5.785000      0.3802000     -0.8892000      0.5270000
  1 1 1      -5  -19   17 f    8.737000      0.2228000       8.849000 0.3144000       8.625000      0.3159000      0.2234000      0.4457000
  1 1 1      -5  -19   18 f    6.096000      0.2545000       5.863000 0.3521000       6.329000      0.3676000     -0.4663000      0.5090000
  1 1 1      -5  -19   19 o    15.43000      0.2554000       15.11000 0.3583000       15.75000      0.3640000     -0.6411000      0.5108000
  1 1 1      -5  -19   20 o    6.186000      0.2654000       6.539000 0.3447000       5.832000      0.4037000      0.7070000      0.5308000
  1 1 1      -5  -19   21 o    5.422000      0.2888000       5.447000 0.3944000       5.397000      0.4219000      0.5058000E-01  0.5775000
  1 1 1      -5  -19   22 o    8.436000      0.2478000       8.479000 0.3467000       8.392000      0.3541000      0.8715000E-01  0.4956000
  1 1 1      -5  -19   23 o    11.00000      0.2500000       10.95000 0.3475000       11.06000      0.3595000     -0.1114000      0.5000000
  1 1 1      -5  -19   24 o    4.996000      0.3597000       5.248000 0.4528000       4.743000      0.5590000      0.5050000      0.7194000
  1 1 1      -5  -19   25 o    2.710000      0.5682000       2.912000 0.7318000       2.507000      0.8694000      0.4056000       1.136000
  1 1 1      -5  -19   26 o    7.364000      0.3006000       7.901000 0.3880000       6.827000      0.4593000       1.074000      0.6012000
  1 1 1      -5  -19   27 o    5.006000      0.4295000       4.727000 0.6010000       5.285000      0.6136000     -0.5581000      0.8589000
  1 1 1      -5  -19   28 o    4.494000      0.4379000       4.282000 0.6243000       4.706000      0.6142000     -0.4240000      0.8758000
  1 1 1      -5  -19   29 o    2.025000      0.5790000       2.370000 0.8735000       1.679000      0.7604000      0.6911000       1.158000
  1 1 1      -5  -19   30 o    4.352000      0.5513000       5.174000 0.6106000       3.530000      0.9181000       1.644000       1.103000
  1 1 1      -5  -19   31 o    1.704000      0.5480000       1.581000 0.7345000       1.827000      0.8135000     -0.2462000       1.096000
  1 1 1      -5  -19   32 o    2.009000      0.5989000       1.991000 0.8320000       2.026000      0.8616000     -0.3500000E-01   1.198000
  1 1 1      -5  -18    1 o    6.860000      0.1825000       6.631000 0.2747000       7.090000      0.2402000     -0.4593000      0.3649000
  1 1 1      -5  -18    2 o    1.106000      0.3466000       1.080000 0.4976000       1.131000      0.4825000     -0.5127000E-01  0.6931000
  1 1 1      -5  -18    3 o    5.506000      0.2359000       5.596000 0.3562000       5.416000      0.3093000      0.1797000      0.4718000
  1 1 1      -5  -18    4 o    6.804000      0.2379000       6.589000 0.3600000       7.019000      0.3112000     -0.4301000      0.4758000
  1 1 1      -5  -18    5 o    6.655000      0.2609000       6.674000 0.3998000       6.636000      0.3352000      0.3776000E-01  0.5218000
  1 1 1      -5  -18    6 o    5.415000      0.2940000       5.083000 0.4701000       5.746000      0.3531000     -0.6627000      0.5879000
  1 1 1      -5  -18    7 o    5.060000      0.3252000       5.056000 0.4956000       5.064000      0.4213000     -0.7716000E-02  0.6504000
  1 1 1      -5  -18    8 o    9.024000      0.2688000       9.000000 0.4042000       9.048000      0.3546000     -0.4862000E-01  0.5377000
  1 1 1      -5  -18    9 o    4.007000      0.4199000       4.014000 0.6793000       4.000000      0.4939000      0.1461000E-01  0.8398000
  1 1 1      -5  -18   10 o    1.281000      0.3901000       1.166000 0.5196000       1.396000      0.5819000     -0.2300000      0.7801000
  1 1 1      -5  -18   11 o    6.218000      0.1985000       6.375000 0.2753000       6.061000      0.2862000      0.3141000      0.3971000
  1 1 1      -5  -18   12 o    9.053000      0.1959000       9.168000 0.2777000       8.939000      0.2765000      0.2291000      0.3919000
  1 1 1      -5  -18   13 o    7.388000      0.2040000       7.212000 0.2880000       7.564000      0.2890000     -0.3511000      0.4080000
  1 1 1      -5  -18   14 o    7.185000      0.3590000       7.185000 0.3590000                  ?              ?              ?              ?
  1 1 1      -5  -18   15 o    9.452000      0.2704000       9.222000 0.3526000       9.682000      0.4101000     -0.4600000      0.5408000
  1 1 1      -5  -18   16 o    7.850000      0.4659000                  ?       ?   7.850000      0.4659000                  ?              ?
  1 1 1      -5  -18   17 o    3.347000      0.3952000       3.456000 0.5312000       3.239000      0.5853000      0.2172000      0.7904000
  1 1 1      -5  -18   18 o    6.289000      0.2504000       6.700000 0.3338000       5.879000      0.3735000      0.8208000      0.5009000
  1 1 1      -5  -18   19 o    9.215000      0.2307000       9.069000 0.3251000       9.361000      0.3276000     -0.2919000      0.4615000
  1 1 1      -5  -18   20 o    3.077000      0.4568000       3.773000 0.5197000       2.381000      0.7514000       1.392000      0.9137000
  1 1 1      -5  -18   21 o    2.118000      0.5072000       2.453000 0.7161000       1.782000      0.7186000      0.6712000       1.014000
  1 1 1      -5  -18   22 o    8.266000      0.2346000       7.934000 0.3252000       8.598000      0.3381000     -0.6641000      0.4691000
  1 1 1      -5  -18   23 o    7.160000      0.2724000       7.088000 0.3805000       7.233000      0.3899000     -0.1451000      0.5449000
  1 1 1      -5  -18   24 o    2.665000      0.5639000       2.950000 0.7584000       2.381000      0.8349000      0.5684000       1.128000
  1 1 1      -5  -18   25 o    2.680000      0.5161000       3.405000 0.6522000       1.956000      0.8001000       1.449000       1.032000
  1 1 1      -5  -18   26 o    10.04000      0.2693000       9.962000 0.3710000       10.11000      0.3904000     -0.1466000      0.5386000
  1 1 1      -5  -18   27 o    6.985000      0.3101000       6.737000 0.4164000       7.234000      0.4597000     -0.4970000      0.6202000
  1 1 1      -5  -18   28 o    6.493000      0.3407000       6.370000 0.4605000       6.616000      0.5024000     -0.2462000      0.6815000
  1 1 1      -5  -18   29 o    3.910000      0.5567000       4.253000 0.6900000       3.567000      0.8739000      0.6861000       1.113000
  1 1 1      -5  -18   30 o    2.467000      0.5707000       1.478000 0.6932000       3.455000      0.9069000      -1.977000       1.141000
  1 1 1      -5  -18   31 o    3.127000      0.6288000       3.146000 0.8508000       3.108000      0.9262000      0.3862000E-01   1.258000
  1 1 1      -5  -18   32 f    3.024000      0.6300000       2.719000 0.8771000       3.330000      0.9045000     -0.6104000       1.260000
  1 1 1      -5  -18   33 o    2.118000      0.5887000       1.614000 0.7399000       2.622000      0.9159000      -1.009000       1.177000
  1 1 1      -5  -17    1 o    1.311000      0.3651000       1.522000 0.5571000       1.101000      0.4720000      0.4208000      0.7302000
  1 1 1      -5  -17    2 o    9.168000      0.1682000       9.190000 0.2480000       9.145000      0.2273000      0.4511000E-01  0.3364000
  1 1 1      -5  -17    3 o    8.562000      0.1600000       8.451000 0.2296000       8.674000      0.2229000     -0.2231000      0.3200000
  1 1 1      -5  -17    4 o    8.151000      0.1602000       8.352000 0.2324000       7.949000      0.2205000      0.4034000      0.3204000
  1 1 1      -5  -17    5 o    6.710000      0.1639000       6.599000 0.2390000       6.820000      0.2243000     -0.2205000      0.3278000
  1 1 1      -5  -17    6 o    12.62000      0.1978000       12.75000 0.2835000       12.49000      0.2760000      0.2634000      0.3956000
  1 1 1      -5  -17    7 o    10.10000      0.1820000       10.33000 0.2616000       9.875000      0.2531000      0.4594000      0.3640000
  1 1 1      -5  -17    8 o    8.702000      0.1784000       8.895000 0.2561000       8.510000      0.2485000      0.3856000      0.3568000
  1 1 1      -5  -17    9 o    1.227000      0.3607000      0.8978000 0.4284000       1.556000      0.5806000     -0.6582000      0.7215000
  1 1 1      -5  -17   10 o    1.464000      0.4731000       1.662000 0.7440000       1.267000      0.5847000      0.3947000      0.9462000
  1 1 1      -5  -17   11 f    4.354000      0.4254000       4.083000 0.7139000       4.626000      0.4629000     -0.5425000      0.8509000
  1 1 1      -5  -17   12 o    6.570000      0.3301000       5.878000 0.5353000       7.261000      0.3864000      -1.383000      0.6602000
  1 1 1      -5  -17   13 o    3.584000      0.5490000       3.439000 0.9026000       3.728000      0.6253000     -0.2890000       1.098000
  1 1 1      -5  -17   14 o    2.784000      0.3956000       2.872000 0.5254000       2.696000      0.5916000      0.1759000      0.7912000
  1 1 1      -5  -17   15 o    3.329000      0.3686000       3.456000 0.4941000       3.202000      0.5472000      0.2545000      0.7373000
  1 1 1      -5  -17   16 o    9.290000      0.2350000       9.364000 0.3608000       9.217000      0.3014000      0.1465000      0.4701000
  1 1 1      -5  -17   17 o    12.64000      0.3117000       12.92000 0.4258000       12.35000      0.4553000      0.5707000      0.6234000
  1 1 1      -5  -17   18 o    12.28000      0.3152000       12.75000 0.4289000       11.81000      0.4621000      0.9420000      0.6305000
  1 1 1      -5  -17   19 o    8.189000      0.3080000       8.381000 0.3872000       7.996000      0.4792000      0.3847000      0.6161000
  1 1 1      -5  -17   20 o    11.20000      0.2342000       11.07000 0.3331000       11.33000      0.3292000     -0.2609000      0.4683000
  1 1 1      -5  -17   21 o    2.523000      0.5204000       2.170000 0.7503000       2.875000      0.7214000     -0.7054000       1.041000
  1 1 1      -5  -17   22 o    4.570000      0.3640000       4.037000 0.5546000       5.104000      0.4717000      -1.068000      0.7280000
  1 1 1      -5  -17   23 o    2.909000      0.5145000       3.091000 0.6714000       2.728000      0.7797000      0.3629000       1.029000
  1 1 1      -5  -17   24 o    7.434000      0.2680000       7.624000 0.3603000       7.245000      0.3969000      0.3790000      0.5360000
  1 1 1      -5  -17   25 o    2.646000      0.5660000       3.130000 0.7593000       2.162000      0.8396000      0.9678000       1.132000
  1 1 1      -5  -17   26 o    6.956000      0.3012000       6.576000 0.4213000       7.337000      0.4305000     -0.7610000      0.6024000
  1 1 1      -5  -17   27 o    3.668000      0.5303000       3.518000 0.7242000       3.819000      0.7748000     -0.3013000       1.061000
  1 1 1      -5  -17   28 o    9.859000      0.2793000       9.922000 0.3820000       9.795000      0.4075000      0.1275000      0.5586000
  1 1 1      -5  -17   29 o    6.447000      0.3481000       6.216000 0.4782000       6.677000      0.5060000     -0.4608000      0.6962000
  1 1 1      -5  -17   30 o    2.219000      0.6216000       2.294000 0.8654000       2.144000      0.8925000      0.1495000       1.243000
  1 1 1      -5  -17   31 o    5.200000      0.4214000       5.300000 0.5500000       5.100000      0.6385000      0.1993000      0.8427000
  1 1 1      -5  -17   32 o    2.841000      0.5300000       1.605000 0.7356000       4.078000      0.7633000      -2.473000       1.060000
  1 1 1      -5  -17   33 o    2.383000      0.5812000       1.616000 0.7424000       3.150000      0.8943000      -1.534000       1.162000
  1 1 1      -5  -16    1 o    7.425000      0.1644000       7.130000 0.2461000       7.719000      0.2181000     -0.5889000      0.3289000
  1 1 1      -5  -16    2 o    1.903000      0.3228000       2.526000 0.4183000       1.279000      0.4917000       1.248000      0.6455000
  1 1 1      -5  -16    3 o    9.080000      0.1607000       9.037000 0.2306000       9.123000      0.2239000     -0.8582000E-01  0.3214000
  1 1 1      -5  -16    4 o    5.926000      0.1601000       6.059000 0.2306000       5.794000      0.2222000      0.2643000      0.3202000
  1 1 1      -5  -16    5 o    19.15000      0.2707000       18.74000 0.3766000       19.55000      0.3889000     -0.8032000      0.5413000
  1 1 1      -5  -16    6 o    14.36000      0.2159000       14.43000 0.3075000       14.28000      0.3030000      0.1488000      0.4317000
  1 1 1      -5  -16    7 f    8.536000      0.1734000       8.610000 0.2480000       8.463000      0.2423000      0.1461000      0.3467000
  1 1 1      -5  -16    8 o    12.94000      0.2053000       13.16000 0.2939000       12.71000      0.2867000      0.4563000      0.4106000
  1 1 1      -5  -16    9 o    1.545000      0.4048000       1.550000 0.5685000       1.540000      0.5763000      0.1067000E-01  0.8096000
  1 1 1      -5  -16   10 o    8.217000      0.1823000       8.240000 0.2574000       8.193000      0.2583000      0.4744000E-01  0.3646000
  1 1 1      -5  -16   11 o    3.755000      0.2605000       3.804000 0.3629000       3.706000      0.3737000      0.9824000E-01  0.5209000
  1 1 1      -5  -16   12 o    5.262000      0.2206000       5.228000 0.3090000       5.296000      0.3150000     -0.6733000E-01  0.4413000
  1 1 1      -5  -16   13 o    5.710000      0.2244000       5.754000 0.3091000       5.666000      0.3253000      0.8805000E-01  0.4488000
  1 1 1      -5  -16   14 o    9.628000      0.3171000       9.359000 0.4906000       9.896000      0.4018000     -0.5369000      0.6341000
  1 1 1      -5  -16   15 o    6.442000      0.3719000       6.098000 0.6181000       6.786000      0.4139000     -0.6877000      0.7439000
  1 1 1      -5  -16   16 o    9.108000      0.3434000       9.092000 0.5306000       9.124000      0.4362000     -0.3246000E-01  0.6868000
  1 1 1      -5  -16   17 o    6.556000      0.2328000       6.508000 0.3231000       6.603000      0.3352000     -0.9550000E-01  0.4656000
  1 1 1      -5  -16   18 o    6.878000      0.2417000       6.806000 0.3335000       6.951000      0.3498000     -0.1449000      0.4833000
  1 1 1      -5  -16   19 o    3.467000      0.5077000       3.425000 0.5137000       3.508000      0.8758000     -0.8227000E-01   1.015000
  1 1 1      -5  -16   20 o    8.203000      0.3205000       8.100000 0.4034000       8.307000      0.4981000     -0.2069000      0.6409000
  1 1 1      -5  -16   21 o    7.037000      0.3429000       7.245000 0.4247000       6.829000      0.5385000      0.4156000      0.6858000
  1 1 1      -5  -16   22 o    4.962000      0.3221000       5.335000 0.4136000       4.589000      0.4939000      0.7462000      0.6442000
  1 1 1      -5  -16   23 o    4.408000      0.3622000       4.527000 0.4675000       4.289000      0.5532000      0.2381000      0.7243000
  1 1 1      -5  -16   24 o    12.09000      0.2478000       12.09000 0.3469000       12.09000      0.3538000     -0.9069000E-03  0.4955000
  1 1 1      -5  -16   25 o    3.026000      0.5376000       3.226000 0.6732000       2.827000      0.8383000      0.3987000       1.075000
  1 1 1      -5  -16   26 o    5.723000      0.3481000       5.588000 0.4757000       5.858000      0.5083000     -0.2700000      0.6962000
  1 1 1      -5  -16   27 o    11.74000      0.2667000       11.70000 0.3737000       11.78000      0.3805000     -0.8029000E-01  0.5333000
  1 1 1      -5  -16   28 o    4.470000      0.4452000       4.490000 0.5757000       4.450000      0.6793000      0.4065000E-01  0.8905000
  1 1 1      -5  -16   29 o    9.734000      0.2858000       9.719000 0.3954000       9.749000      0.4127000     -0.3081000E-01  0.5716000
  1 1 1      -5  -16   30 o    3.910000      0.5551000       3.550000 0.8123000       4.270000      0.7566000     -0.7198000       1.110000
  1 1 1      -5  -16   31 o    5.826000      0.4043000       5.426000 0.5893000       6.225000      0.5535000     -0.7987000      0.8085000
  1 1 1      -5  -16   32 o    2.258000      0.5996000       1.789000 0.7875000       2.726000      0.9044000     -0.9372000       1.199000
  1 1 1      -5  -16   33 o    1.851000      0.5735000       1.845000 0.8086000       1.857000      0.8134000     -0.1284000E-01   1.147000
  1 1 1      -5  -16   34 o    2.124000      0.5948000       2.498000 0.8972000       1.749000      0.7812000      0.7495000       1.190000
  1 1 1      -5  -15    1 o    15.11000      0.2189000       15.12000 0.3127000       15.11000      0.3064000      0.3829000E-02  0.4378000
  1 1 1      -5  -15    2 o    9.699000      0.1611000       9.873000 0.2329000       9.525000      0.2226000      0.3473000      0.3221000
  1 1 1      -5  -15    3 o    1.656000      0.3390000       1.615000 0.4958000       1.698000      0.4623000     -0.8271000E-01  0.6779000
  1 1 1      -5  -15    4 o    11.84000      0.1838000       11.95000 0.2623000       11.73000      0.2576000      0.2196000      0.3676000
  1 1 1      -5  -15    5 f    2.659000      0.2788000       2.742000 0.3621000       2.577000      0.4239000      0.1650000      0.5575000
  1 1 1      -5  -15    6 o    9.508000      0.1719000       9.603000 0.2439000       9.413000      0.2423000      0.1899000      0.3438000
  1 1 1      -5  -15    7 o    8.686000      0.1701000       8.724000 0.2422000       8.648000      0.2388000      0.7531000E-01  0.3401000
  1 1 1      -5  -15    8 o    10.87000      0.1875000       10.67000 0.2636000       11.06000      0.2666000     -0.3873000      0.3749000
  1 1 1      -5  -15    9 o    10.02000      0.1861000       9.854000 0.2629000       10.18000      0.2635000     -0.3310000      0.3722000
  1 1 1      -5  -15   10 o    12.49000      0.2064000       12.39000 0.2913000       12.59000      0.2925000     -0.1933000      0.4128000
  1 1 1      -5  -15   11 o    4.782000      0.2239000       4.554000 0.3260000       5.010000      0.3071000     -0.4558000      0.4479000
  1 1 1      -5  -15   12 f    6.013000      0.2004000       6.152000 0.2824000       5.875000      0.2843000      0.2776000      0.4007000
  1 1 1      -5  -15   13 o    2.580000      0.4112000       2.274000 0.6017000       2.885000      0.5605000     -0.6115000      0.8223000
  1 1 1      -5  -15   14 o    9.863000      0.2056000       10.09000 0.2927000       9.636000      0.2888000      0.4543000      0.4112000
  1 1 1      -5  -15   15 o    2.122000      0.4392000       2.278000 0.6404000       1.965000      0.6012000      0.3134000      0.8784000
  1 1 1      -5  -15   16 o    8.556000      0.3355000       8.045000 0.5284000       9.068000      0.4136000      -1.023000      0.6710000
  1 1 1      -5  -15   17 o    5.176000      0.4474000       4.330000 0.7322000       6.022000      0.5143000      -1.692000      0.8947000
  1 1 1      -5  -15   18 o    3.265000      0.5828000       2.402000 0.9742000       4.128000      0.6401000      -1.725000       1.166000
  1 1 1      -5  -15   19 o    2.821000      0.4667000       3.186000 0.5871000       2.455000      0.7257000      0.7305000      0.9334000
  1 1 1      -5  -15   20 o    5.457000      0.2895000       5.366000 0.3954000       5.548000      0.4230000     -0.1820000      0.5790000
  1 1 1      -5  -15   21 o    9.805000      0.3183000       10.01000 0.4174000       9.603000      0.4808000      0.4032000      0.6367000
  1 1 1      -5  -15   22 o    5.788000      0.4012000       6.292000 0.4694000       5.284000      0.6507000       1.008000      0.8024000
  1 1 1      -5  -15   23 o    4.353000      0.3730000       4.030000 0.5341000       4.676000      0.5209000     -0.6459000      0.7461000
  1 1 1      -5  -15   24 o    8.288000      0.2613000       8.208000 0.3592000       8.368000      0.3795000     -0.1596000      0.5225000
  1 1 1      -5  -15   25 o    6.336000      0.3084000       6.558000 0.4010000       6.115000      0.4687000      0.4433000      0.6169000
  1 1 1      -5  -15   26 o    6.578000      0.3117000       6.714000 0.4151000       6.442000      0.4651000      0.2717000      0.6234000
  1 1 1      -5  -15   27 o    8.390000      0.2795000       8.390000 0.3894000       8.389000      0.4011000      0.5093000E-03  0.5591000
  1 1 1      -5  -15   28 o    4.905000      0.4241000       5.055000 0.5563000       4.755000      0.6403000      0.2999000      0.8482000
  1 1 1      -5  -15   29 o    7.618000      0.3109000       7.327000 0.4226000       7.909000      0.4560000     -0.5821000      0.6217000
  1 1 1      -5  -15   30 o    6.965000      0.3451000       6.886000 0.4626000       7.043000      0.5122000     -0.1577000      0.6902000
  1 1 1      -5  -15   31 o    4.110000      0.5449000       3.399000 0.8523000       4.821000      0.6792000      -1.422000       1.090000
  1 1 1      -5  -15   32 o    3.844000      0.5589000       4.282000 0.7068000       3.406000      0.8660000      0.8756000       1.118000
  1 1 1      -5  -15   33 o    2.788000      0.6294000       3.281000 0.8998000       2.295000      0.8802000      0.9860000       1.259000
  1 1 1      -5  -15   34 o    5.380000      0.4287000       5.736000 0.5659000       5.024000      0.6441000      0.7113000      0.8573000
  1 1 1      -5  -14    1 o    9.903000      0.1601000       9.639000 0.2252000       10.17000      0.2276000     -0.5274000      0.3202000
  1 1 1      -5  -14    2 o    12.37000      0.1869000       12.68000 0.2712000       12.07000      0.2574000      0.6070000      0.3739000
  1 1 1      -5  -14    3 o    22.86000      0.3144000       23.12000 0.4495000       22.59000      0.4396000      0.5288000      0.6287000
  1 1 1      -5  -14    4 o    11.16000      0.1778000       11.19000 0.2523000       11.13000      0.2507000      0.6352000E-01  0.3556000
  1 1 1      -5  -14    5 o    13.85000      0.2078000       13.80000 0.2936000       13.89000      0.2940000     -0.9162000E-01  0.4155000
  1 1 1      -5  -14    6 o    6.014000      0.1676000       6.094000 0.2335000       5.934000      0.2406000      0.1596000      0.3353000
  1 1 1      -5  -14    7 o    6.140000      0.1727000       6.000000 0.2444000       6.280000      0.2440000     -0.2799000      0.3454000
  1 1 1      -5  -14    8 o    13.38000      0.2110000       13.53000 0.3019000       13.24000      0.2949000      0.2868000      0.4220000
  1 1 1      -5  -14    9 o    10.71000      0.1878000       10.78000 0.2658000       10.64000      0.2655000      0.1429000      0.3757000
  1 1 1      -5  -14   10 o    11.04000      0.1954000       11.02000 0.2771000       11.07000      0.2756000     -0.4751000E-01  0.3908000
  1 1 1      -5  -14   11 o    2.785000      0.3436000       2.821000 0.4707000       2.750000      0.5006000      0.7148000E-01  0.6871000
  1 1 1      -5  -14   12 o    3.702000      0.2847000       3.673000 0.3955000       3.731000      0.4096000     -0.5771000E-01  0.5694000
  1 1 1      -5  -14   13 o    3.510000      0.3133000       3.617000 0.4150000       3.402000      0.4696000      0.2150000      0.6267000
  1 1 1      -5  -14   14 f    8.465000      0.2006000       8.361000 0.2829000       8.568000      0.2845000     -0.2067000      0.4012000
  1 1 1      -5  -14   15 o    5.602000      0.3263000       5.602000 0.3263000                  ?              ?              ?              ?
  1 1 1      -5  -14   16 o    5.581000      0.2437000       5.804000 0.3361000       5.357000      0.3529000      0.4471000      0.4873000
  1 1 1      -5  -14   17 o    7.914000      0.3122000                  ?       ?   7.914000      0.3122000                  ?              ?
  1 1 1      -5  -14   18 o    6.615000      0.3822000       6.920000 0.5967000       6.310000      0.4778000      0.6094000      0.7645000
  1 1 1      -5  -14   19 o    5.867000      0.4247000       5.412000 0.6859000       6.323000      0.5009000     -0.9109000      0.8493000
  1 1 1      -5  -14   20 o    3.933000      0.3475000       4.313000 0.4390000       3.553000      0.5388000      0.7601000      0.6950000
  1 1 1      -5  -14   21 o    5.114000      0.3012000       4.913000 0.4246000       5.314000      0.4274000     -0.4017000      0.6025000
  1 1 1      -5  -14   22 o    9.684000      0.2385000       9.671000 0.3341000       9.698000      0.3404000     -0.2652000E-01  0.4770000
  1 1 1      -5  -14   23 o    7.244000      0.3499000       7.768000 0.4302000       6.721000      0.5519000       1.048000      0.6998000
  1 1 1      -5  -14   24 o    6.507000      0.3882000       7.230000 0.4462000       5.785000      0.6353000       1.445000      0.7764000
  1 1 1      -5  -14   25 o    8.871000      0.2513000       8.727000 0.3459000       9.016000      0.3646000     -0.2887000      0.5026000
  1 1 1      -5  -14   26 o    2.006000      0.5518000       1.794000 0.7476000       2.219000      0.8116000     -0.4253000       1.104000
  1 1 1      -5  -14   27 o    5.010000      0.3865000       4.915000 0.5292000       5.105000      0.5634000     -0.1904000      0.7730000
  1 1 1      -5  -14   28 o    5.495000      0.3815000       5.103000 0.5451000       5.888000      0.5339000     -0.7853000      0.7630000
  1 1 1      -5  -14   29 o    2.749000      0.6060000       3.178000 0.8070000       2.320000      0.9044000      0.8579000       1.212000
  1 1 1      -5  -14   30 o    8.158000      0.3136000       8.478000 0.4081000       7.839000      0.4762000      0.6386000      0.6271000
  1 1 1      -5  -14   31 o    2.619000      0.6414000       2.427000 0.8846000       2.812000      0.9289000     -0.3844000       1.283000
  1 1 1      -5  -14   32 o    4.293000      0.5480000       3.864000 0.8206000       4.721000      0.7267000     -0.8571000       1.096000
  1 1 1      -5  -14   33 o    3.638000      0.5894000       2.985000 0.9145000       4.290000      0.7440000      -1.305000       1.179000
  1 1 1      -5  -14   34 o    3.755000      0.5938000       3.506000 0.8684000       4.003000      0.8100000     -0.4974000       1.188000
  1 1 1      -5  -14   35 o    2.684000      0.6423000       2.593000 0.9121000       2.776000      0.9045000     -0.1831000       1.285000
  1 1 1      -5  -13    1 o    12.20000      0.1817000       12.27000 0.2604000       12.13000      0.2535000      0.1406000      0.3634000
  1 1 1      -5  -13    2 o    13.07000      0.1933000       13.04000 0.2739000       13.09000      0.2729000     -0.4972000E-01  0.3867000
  1 1 1      -5  -13    3 o    21.69000      0.2992000       21.58000 0.4216000       21.80000      0.4246000     -0.2222000      0.5984000
  1 1 1      -5  -13    4 o    8.850000      0.1610000       8.941000 0.2303000       8.758000      0.2250000      0.1828000      0.3220000
  1 1 1      -5  -13    5 o    7.075000      0.1583000       7.169000 0.2226000       6.982000      0.2251000      0.1863000      0.3166000
  1 1 1      -5  -13    6 o    8.514000      0.1700000       8.246000 0.2405000       8.782000      0.2404000     -0.5356000      0.3401000
  1 1 1      -5  -13    7 o    8.629000      0.1702000       8.680000 0.2432000       8.577000      0.2382000      0.1025000      0.3404000
  1 1 1      -5  -13    8 o    6.686000      0.1723000       6.473000 0.2474000       6.899000      0.2398000     -0.4262000      0.3445000
  1 1 1      -5  -13    9 o    18.53000      0.2678000       18.68000 0.3825000       18.38000      0.3750000      0.2961000      0.5357000
  1 1 1      -5  -13   10 o    6.817000      0.1858000       7.071000 0.2554000       6.563000      0.2701000      0.5081000      0.3717000
  1 1 1      -5  -13   11 o    6.474000      0.1952000       6.374000 0.2773000       6.574000      0.2747000     -0.2005000      0.3903000
  1 1 1      -5  -13   12 o    7.651000      0.1911000       7.609000 0.2701000       7.693000      0.2705000     -0.8402000E-01  0.3823000
  1 1 1      -5  -13   13 o    7.128000      0.1975000       7.411000 0.2743000       6.846000      0.2842000      0.5653000      0.3950000
  1 1 1      -5  -13   14 o    9.607000      0.2006000       9.883000 0.2842000       9.332000      0.2832000      0.5516000      0.4012000
  1 1 1      -5  -13   15 o    4.499000      0.2612000       5.199000 0.3443000       3.798000      0.3929000       1.401000      0.5224000
  1 1 1      -5  -13   16 o    7.071000      0.2181000       7.210000 0.2992000       6.932000      0.3175000      0.2783000      0.4363000
  1 1 1      -5  -13   17 o    1.958000      0.5399000       2.095000 0.8262000       1.820000      0.6953000      0.2750000       1.080000
  1 1 1      -5  -13   18 o    8.540000      0.2246000       8.731000 0.3219000       8.350000      0.3135000      0.3815000      0.4493000
  1 1 1      -5  -13   19 f    11.93000      0.2303000       11.92000 0.3283000       11.95000      0.3230000     -0.2825000E-01  0.4605000
  1 1 1      -5  -13   20 o    14.42000      0.3630000       13.91000 0.5238000       14.92000      0.5028000      -1.003000      0.7260000
  1 1 1      -5  -13   21 o    3.960000      0.6052000       4.043000 0.9466000       3.876000      0.7545000      0.1676000       1.210000
  1 1 1      -5  -13   22 o    4.694000      0.3363000       4.979000 0.4469000       4.408000      0.5028000      0.5712000      0.6727000
  1 1 1      -5  -13   23 o    16.07000      0.2698000       16.28000 0.3882000       15.85000      0.3747000      0.4345000      0.5396000
  1 1 1      -5  -13   24 o    8.480000      0.3482000       8.795000 0.4445000       8.166000      0.5362000      0.6291000      0.6965000
  1 1 1      -5  -13   25 o    8.838000      0.3500000       8.593000 0.4428000       9.083000      0.5421000     -0.4906000      0.7000000
  1 1 1      -5  -13   26 o    3.252000      0.5029000       2.446000 0.8145000       4.059000      0.5902000      -1.613000       1.006000
  1 1 1      -5  -13   27 o    1.559000      0.4967000       1.788000 0.7583000       1.330000      0.6418000      0.4576000      0.9934000
  1 1 1      -5  -13   28 o    2.018000      0.5804000       2.050000 0.8183000       1.986000      0.8232000      0.6312000E-01   1.161000
  1 1 1      -5  -13   29 o    5.633000      0.4038000       6.431000 0.4813000       4.834000      0.6484000       1.597000      0.8075000
  1 1 1      -5  -13   30 o    5.262000      0.4251000       5.307000 0.5659000       5.216000      0.6346000      0.9110000E-01  0.8502000
  1 1 1      -5  -13   31 o    2.461000      0.6357000       2.301000 0.8668000       2.621000      0.9303000     -0.3202000       1.271000
  1 1 1      -5  -13   32 o    2.955000      0.6032000       3.598000 0.8007000       2.312000      0.9024000       1.285000       1.206000
  1 1 1      -5  -13   33 o    4.609000      0.4947000       5.001000 0.6438000       4.217000      0.7514000      0.7841000      0.9895000
  1 1 1      -5  -13   34 o    3.130000      0.6223000       2.705000 0.9142000       3.555000      0.8447000     -0.8502000       1.245000
  1 1 1      -5  -13   35 o    3.734000      0.5870000       3.900000 0.7807000       3.569000      0.8767000      0.3305000       1.174000
  1 1 1      -5  -12    1 o    19.75000      0.2732000       19.68000 0.3851000       19.83000      0.3875000     -0.1494000      0.5463000
  1 1 1      -5  -12    2 o    18.04000      0.2521000       17.88000 0.3541000       18.19000      0.3588000     -0.3060000      0.5041000
  1 1 1      -5  -12    3 o    7.542000      0.1516000       7.646000 0.2175000       7.438000      0.2111000      0.2073000      0.3031000
  1 1 1      -5  -12    4 o    16.79000      0.2400000       16.86000 0.3412000       16.71000      0.3376000      0.1481000      0.4800000
  1 1 1      -5  -12    5 o    30.07000      0.4092000       30.10000 0.5796000       30.03000      0.5776000      0.7338000E-01  0.8183000
  1 1 1      -5  -12    6 f    18.40000      0.2626000       18.51000 0.3737000       18.29000      0.3690000      0.2213000      0.5252000
  1 1 1      -5  -12    7 o    12.02000      0.1946000       11.79000 0.2732000       12.25000      0.2772000     -0.4629000      0.3892000
  1 1 1      -5  -12    8 o    22.98000      0.3211000       22.81000 0.4519000       23.15000      0.4562000     -0.3396000      0.6421000
  1 1 1      -5  -12    9 o    7.348000      0.1749000       7.161000 0.2473000       7.536000      0.2475000     -0.3743000      0.3499000
  1 1 1      -5  -12   10 o    2.721000      0.3521000       2.963000 0.4440000       2.480000      0.5466000      0.4826000      0.7042000
  1 1 1      -5  -12   11 o    9.649000      0.1867000       9.769000 0.2635000       9.530000      0.2647000      0.2384000      0.3735000
  1 1 1      -5  -12   12 o    8.374000      0.1911000       8.397000 0.2699000       8.351000      0.2705000      0.4531000E-01  0.3821000
  1 1 1      -5  -12   13 o    1.552000      0.4272000       1.228000 0.5459000       1.875000      0.6572000     -0.6464000      0.8544000
  1 1 1      -5  -12   14 o    7.684000      0.2035000       7.843000 0.2789000       7.526000      0.2964000      0.3169000      0.4070000
  1 1 1      -5  -12   15 o    2.365000      0.4322000       2.223000 0.5858000       2.508000      0.6356000     -0.2852000      0.8644000
  1 1 1      -5  -12   16 o    13.84000      0.2324000       13.51000 0.3241000       14.16000      0.3330000     -0.6486000      0.4647000
  1 1 1      -5  -12   17 o    9.435000      0.2133000       9.335000 0.3018000       9.536000      0.3014000     -0.2003000      0.4265000
  1 1 1      -5  -12   18 o    5.349000      0.2654000       5.337000 0.3783000       5.362000      0.3723000     -0.2558000E-01  0.5308000
  1 1 1      -5  -12   19 o    1.683000      0.4761000       1.563000 0.6433000       1.803000      0.7019000     -0.2407000      0.9521000
  1 1 1      -5  -12   20 o    8.771000      0.2265000       8.597000 0.3137000       8.945000      0.3269000     -0.3485000      0.4531000
  1 1 1      -5  -12   21 o    4.307000      0.5598000       4.057000 0.8992000       4.557000      0.6672000     -0.5003000       1.120000
  1 1 1      -5  -12   22 o    8.429000      0.3605000       8.368000 0.5526000       8.489000      0.4632000     -0.1211000      0.7210000
  1 1 1      -5  -12   23 o    2.938000      0.4990000       3.402000 0.6108000       2.475000      0.7892000      0.9274000      0.9979000
  1 1 1      -5  -12   24 o    12.12000      0.2422000       12.41000 0.3474000       11.82000      0.3375000      0.5916000      0.4844000
  1 1 1      -5  -12   25 o    3.931000      0.5840000       4.037000 0.6985000       3.825000      0.9360000      0.2120000       1.168000
  1 1 1      -5  -12   26 o    7.951000      0.3661000       7.393000 0.4826000       8.509000      0.5507000      -1.116000      0.7322000
  1 1 1      -5  -12   27 o    2.124000      0.5662000       2.358000 0.8162000       1.890000      0.7849000      0.4681000       1.132000
  1 1 1      -5  -12   28 o    2.325000      0.5908000       2.280000 0.8175000       2.369000      0.8531000     -0.8964000E-01   1.182000
  1 1 1      -5  -12   29 o    5.992000      0.3661000       5.611000 0.5316000       6.372000      0.5034000     -0.7614000      0.7321000
  1 1 1      -5  -12   30 o    1.925000      0.5758000       1.579000 0.7343000       2.271000      0.8871000     -0.6923000       1.152000
  1 1 1      -5  -12   31 o    5.006000      0.4398000       4.674000 0.6406000       5.338000      0.6027000     -0.6631000      0.8795000
  1 1 1      -5  -12   32 o    3.001000      0.6470000       3.304000 0.8792000       2.698000      0.9494000      0.6052000       1.294000
  1 1 1      -5  -12   33 f    1.915000      0.5824000       2.076000 0.8503000       1.755000      0.7962000      0.3215000       1.165000
  1 1 1      -5  -12   34 o    3.377000      0.6102000       3.009000 0.9102000       3.744000      0.8128000     -0.7347000       1.220000
  1 1 1      -5  -12   35 o    2.168000      0.6051000       2.370000 0.8843000       1.967000      0.8263000      0.4032000       1.210000
  1 1 1      -5  -12   36 o    2.383000      0.6254000       2.566000 0.8858000       2.200000      0.8832000      0.3662000       1.251000
  1 1 1      -5  -11    1 o    38.75000      0.7358000       38.99000 1.047000       38.51000       1.034000      0.4771000       1.472000
  1 1 1      -5  -11    2 o    36.87000      0.7017000       37.00000 0.9956000       36.74000      0.9890000      0.2575000       1.403000
  1 1 1      -5  -11    3 o    27.54000      0.4586000       27.55000 0.7481000       27.54000      0.5308000      0.9716000E-02  0.9173000
  1 1 1      -5  -11    4 o    14.48000      0.2136000       14.66000 0.3054000       14.30000      0.2986000      0.3678000      0.4271000
  1 1 1      -5  -11    5 o    28.63000      0.3904000       28.64000 0.5524000       28.62000      0.5518000      0.1429000E-01  0.7808000
  1 1 1      -5  -11    6 f    3.140000      0.2368000       3.302000 0.3160000       2.978000      0.3527000      0.3237000      0.4735000
  1 1 1      -5  -11    7 o    4.046000      0.2179000       4.144000 0.3046000       3.948000      0.3116000      0.1959000      0.4357000
  1 1 1      -5  -11    8 o    3.632000      0.2355000       3.801000 0.3210000       3.462000      0.3446000      0.3394000      0.4709000
  1 1 1      -5  -11    9 o    20.13000      0.2867000       20.19000 0.4067000       20.07000      0.4042000      0.1145000      0.5734000
  1 1 1      -5  -11   10 o    18.90000      0.2737000       18.97000 0.3879000       18.83000      0.3862000      0.1317000      0.5474000
  1 1 1      -5  -11   11 o    8.857000      0.1844000       9.016000 0.2618000       8.698000      0.2599000      0.3179000      0.3689000
  1 1 1      -5  -11   12 o    2.218000      0.4184000       2.233000 0.5744000       2.203000      0.6086000      0.3028000E-01  0.8368000
  1 1 1      -5  -11   13 o    3.524000      0.3063000       3.468000 0.4339000       3.581000      0.4325000     -0.1129000      0.6127000
  1 1 1      -5  -11   14 o    11.21000      0.2066000       11.32000 0.2913000       11.10000      0.2932000      0.2199000      0.4133000
  1 1 1      -5  -11   15 o    2.832000      0.4011000       3.153000 0.4955000       2.512000      0.6307000      0.6408000      0.8021000
  1 1 1      -5  -11   16 o    7.500000      0.2126000       7.705000 0.2965000       7.296000      0.3046000      0.4093000      0.4251000
  1 1 1      -5  -11   17 o    2.046000      0.4850000       2.101000 0.6824000       1.991000      0.6894000      0.1104000      0.9700000
  1 1 1      -5  -11   18 o    8.872000      0.2223000       8.776000 0.3113000       8.967000      0.3175000     -0.1903000      0.4447000
  1 1 1      -5  -11   19 o    1.639000      0.4751000       1.646000 0.6754000       1.632000      0.6683000      0.1421000E-01  0.9502000
  1 1 1      -5  -11   20 o    3.951000      0.3812000       4.724000 0.4180000       3.179000      0.6375000       1.545000      0.7623000
  1 1 1      -5  -11   21 o    7.569000      0.2370000       7.607000 0.3391000       7.531000      0.3311000      0.7546000E-01  0.4739000
  1 1 1      -5  -11   22 o    3.155000      0.6372000       3.273000 0.9198000       3.038000      0.8822000      0.2354000       1.274000
  1 1 1      -5  -11   23 o    12.26000      0.3570000       12.50000 0.5327000       12.02000      0.4753000      0.4871000      0.7139000
  1 1 1      -5  -11   24 o    7.762000      0.2543000       7.999000 0.3543000       7.526000      0.3649000      0.4727000      0.5086000
  1 1 1      -5  -11   25 o    3.874000      0.4214000       3.983000 0.5706000       3.765000      0.6204000      0.2182000      0.8429000
  1 1 1      -5  -11   26 o    4.307000      0.5466000       3.877000 0.7322000       4.737000      0.8117000     -0.8593000       1.093000
  1 1 1      -5  -11   27 o    4.743000      0.5307000       4.790000 0.6450000       4.695000      0.8430000      0.9488000E-01   1.061000
  1 1 1      -5  -11   28 o    2.628000      0.5750000       2.052000 0.8118000       3.205000      0.8144000      -1.153000       1.150000
  1 1 1      -5  -11   29 o    6.998000      0.3233000       7.046000 0.4344000       6.950000      0.4789000      0.9565000E-01  0.6466000
  1 1 1      -5  -11   30 o    2.507000      0.6278000       2.535000 0.8766000       2.479000      0.8990000      0.5601000E-01   1.256000
  1 1 1      -5  -11   31 o    2.170000      0.6137000       2.052000 0.8466000       2.288000      0.8888000     -0.2363000       1.227000
  1 1 1      -5  -11   32 o    5.090000      0.4649000       5.039000 0.6159000       5.141000      0.6966000     -0.1018000      0.9299000
  1 1 1      -5  -11   33 o    3.705000      0.6003000       3.726000 0.8065000       3.684000      0.8893000      0.4268000E-01   1.201000
  1 1 1      -5  -11   34 o    2.381000      0.5917000       3.051000 0.8946000       1.710000      0.7749000       1.341000       1.183000
  1 1 1      -5  -11   35 o    2.512000      0.6444000       2.429000 0.9064000       2.596000      0.9163000     -0.1672000       1.289000
  1 1 1      -5  -11   36 o    2.182000      0.6172000       2.122000 0.8679000       2.242000      0.8777000     -0.1195000       1.234000
  1 1 1      -5  -10    1 o    19.71000      0.2726000       19.46000 0.3817000       19.96000      0.3893000     -0.5056000      0.5452000
  1 1 1      -5  -10    2 f    25.02000      0.3412000       25.40000 0.4896000       24.64000      0.4754000      0.7609000      0.6824000
  1 1 1      -5  -10    3 o    18.15000      0.3117000       18.22000 0.3600000       18.07000      0.5089000      0.1566000      0.6233000
  1 1 1      -5  -10    5 f    9.422000      0.2321000       9.487000 0.3201000       9.358000      0.3362000      0.1284000      0.4643000
  1 1 1      -5  -10    6 o    7.802000      0.2276000       8.108000 0.3099000       7.497000      0.3333000      0.6117000      0.4551000
  1 1 1      -5  -10    7 o    8.460000      0.2434000       8.337000 0.3517000       8.583000      0.3367000     -0.2459000      0.4869000
  1 1 1      -5  -10    8 o    13.03000      0.2062000       13.09000 0.2939000       12.97000      0.2893000      0.1242000      0.4124000
  1 1 1      -5  -10    9 o    25.51000      0.3540000       25.63000 0.5028000       25.40000      0.4986000      0.2298000      0.7081000
  1 1 1      -5  -10   10 f    10.22000      0.1867000       9.848000 0.2595000       10.60000      0.2686000     -0.7516000      0.3735000
  1 1 1      -5  -10   11 o    7.324000      0.1855000       7.216000 0.2599000       7.431000      0.2648000     -0.2142000      0.3710000
  1 1 1      -5  -10   12 o    8.466000      0.1873000       8.235000 0.2692000       8.697000      0.2605000     -0.4622000      0.3746000
  1 1 1      -5  -10   13 f    8.865000      0.1893000       8.654000 0.2642000       9.077000      0.2712000     -0.4231000      0.3786000
  1 1 1      -5  -10   14 o    10.61000      0.2029000       10.33000 0.2813000       10.89000      0.2923000     -0.5592000      0.4057000
  1 1 1      -5  -10   15 f    1.534000      0.4314000       1.710000 0.6259000       1.358000      0.5938000      0.3519000      0.8628000
  1 1 1      -5  -10   16 o    10.03000      0.2917000       10.03000 0.2917000                  ?              ?              ?              ?
  1 1 1      -5  -10   17 o    6.473000      0.2285000       6.536000 0.3130000       6.410000      0.3331000      0.1263000      0.4571000
  1 1 1      -5  -10   18 o    12.07000      0.3175000                  ?       ?   12.07000      0.3175000                  ?              ?
  1 1 1      -5  -10   19 o    6.441000      0.2449000       6.559000 0.3421000       6.323000      0.3505000      0.2357000      0.4898000
  1 1 1      -5  -10   20 o    10.55000      0.2252000       10.70000 0.3189000       10.41000      0.3181000      0.2903000      0.4504000
  1 1 1      -5  -10   21 o    12.81000      0.2364000       12.47000 0.3307000       13.14000      0.3380000     -0.6753000      0.4729000
  1 1 1      -5  -10   22 o    5.071000      0.3104000       5.024000 0.4346000       5.118000      0.4432000     -0.9464000E-01  0.6208000
  1 1 1      -5  -10   23 o    1.763000      0.5679000       1.766000 0.8251000       1.759000      0.7807000      0.7153000E-02   1.136000
  1 1 1      -5  -10   24 o    2.025000      0.6182000       2.131000 0.9261000       1.919000      0.8191000      0.2122000       1.236000
  1 1 1      -5  -10   25 o    5.229000      0.3281000       5.080000 0.4686000       5.377000      0.4594000     -0.2977000      0.6563000
  1 1 1      -5  -10   26 o    6.261000      0.3068000       5.802000 0.4496000       6.719000      0.4175000     -0.9168000      0.6135000
  1 1 1      -5  -10   27 o    10.48000      0.3480000       10.60000 0.4627000       10.36000      0.5200000      0.2412000      0.6961000
  1 1 1      -5  -10   28 o    3.844000      0.5121000       4.295000 0.6264000       3.394000      0.8103000      0.9012000       1.024000
  1 1 1      -5  -10   29 o    2.251000      0.5870000       2.438000 0.8317000       2.063000      0.8285000      0.3751000       1.174000
  1 1 1      -5  -10   30 o    5.951000      0.3601000       6.114000 0.4810000       5.788000      0.5360000      0.3257000      0.7202000
  1 1 1      -5  -10   31 o    2.803000      0.6312000       2.775000 0.8743000       2.831000      0.9106000     -0.5537000E-01   1.262000
  1 1 1      -5  -10   32 o    3.315000      0.6157000       3.163000 0.8545000       3.467000      0.8867000     -0.3040000       1.231000
  1 1 1      -5  -10   33 o    2.938000      0.6293000       3.434000 0.8681000       2.442000      0.9112000      0.9918000       1.259000
  1 1 1      -5  -10   34 o    3.184000      0.6132000       2.517000 0.9251000       3.851000      0.8053000      -1.334000       1.226000
  1 1 1      -5  -10   35 o    4.184000      0.5419000       4.023000 0.8173000       4.344000      0.7118000     -0.3211000       1.084000
  1 1 1      -5  -10   36 o    2.857000      0.6109000       2.381000 0.8942000       3.333000      0.8326000     -0.9517000       1.222000
  1 1 1      -5   -9    1 o    19.17000      0.3764000       19.50000 0.5425000       18.84000      0.5219000      0.6592000      0.7527000
  1 1 1      -5   -9    2 o    13.35000      0.2793000       13.37000 0.3990000       13.33000      0.3908000      0.4095000E-01  0.5585000
  1 1 1      -5   -9    3 o    15.25000      0.2205000       15.11000 0.3093000       15.38000      0.3142000     -0.2788000      0.4409000
  1 1 1      -5   -9    4 o    8.906000      0.1957000       8.669000 0.2210000       9.143000      0.3230000     -0.4731000      0.3913000
  1 1 1      -5   -9    5 o    7.912000      0.1583000       7.931000 0.2251000       7.893000      0.2226000      0.3803000E-01  0.3166000
  1 1 1      -5   -9    6 o    30.84000      0.5930000       31.67000 0.8594000       30.01000      0.8172000       1.667000       1.186000
  1 1 1      -5   -9    7 o    25.21000      0.4911000       24.69000 0.6797000       25.73000      0.7089000      -1.032000      0.9821000
  1 1 1      -5   -9    8 o    13.96000      0.2981000       13.78000 0.4148000       14.14000      0.4284000     -0.3577000      0.5963000
  1 1 1      -5   -9    9 o    24.99000      0.3466000       25.13000 0.4927000       24.86000      0.4876000      0.2708000      0.6932000
  1 1 1      -5   -9   10 o    9.383000      0.1807000       9.403000 0.2554000       9.363000      0.2557000      0.4068000E-01  0.3614000
  1 1 1      -5   -9   11 o    5.951000      0.1963000       5.933000 0.2753000       5.969000      0.2798000     -0.3591000E-01  0.3925000
  1 1 1      -5   -9   12 o    4.337000      0.2424000       4.306000 0.3428000       4.368000      0.3429000     -0.6153000E-01  0.4849000
  1 1 1      -5   -9   13 o    9.228000      0.1917000       9.333000 0.2713000       9.122000      0.2710000      0.2104000      0.3834000
  1 1 1      -5   -9   14 o    2.642000      0.3817000       2.172000 0.5940000       3.113000      0.4796000     -0.9405000      0.7635000
  1 1 1      -5   -9   15 o    8.748000      0.1996000       8.662000 0.2774000       8.834000      0.2871000     -0.1722000      0.3992000
  1 1 1      -5   -9   16 o    13.41000      0.3193000       13.41000 0.3193000                  ?              ?              ?              ?
  1 1 1      -5   -9   17 o    5.322000      0.2547000       5.222000 0.3650000       5.423000      0.3554000     -0.2003000      0.5095000
  1 1 1      -5   -9   18 o    10.47000      0.3046000                  ?       ?   10.47000      0.3046000                  ?              ?
  1 1 1      -5   -9   19 o    3.127000      0.4144000       3.408000 0.5241000       2.845000      0.6421000      0.5621000      0.8288000
  1 1 1      -5   -9   20 o    7.559000      0.2312000       7.509000 0.3284000       7.609000      0.3254000     -0.1003000      0.4623000
  1 1 1      -5   -9   21 f    9.051000      0.2306000       8.773000 0.3296000       9.330000      0.3226000     -0.5564000      0.4612000
  1 1 1      -5   -9   22 o    8.773000      0.2364000       8.676000 0.3341000       8.870000      0.3346000     -0.1936000      0.4728000
  1 1 1      -5   -9   23 o    5.075000      0.3143000       5.298000 0.4251000       4.852000      0.4631000      0.4458000      0.6286000
  1 1 1      -5   -9   24 o    4.515000      0.5660000       4.283000 0.8918000       4.746000      0.6974000     -0.4636000       1.132000
  1 1 1      -5   -9   25 o    5.063000      0.3359000       4.858000 0.4946000       5.267000      0.4546000     -0.4091000      0.6718000
  1 1 1      -5   -9   26 o    6.119000      0.3066000       6.646000 0.4059000       5.592000      0.4596000       1.055000      0.6132000
  1 1 1      -5   -9   27 o    9.854000      0.3512000       9.449000 0.4702000       10.26000      0.5218000     -0.8088000      0.7024000
  1 1 1      -5   -9   28 o    8.584000      0.3751000       8.428000 0.4835000       8.740000      0.5737000     -0.3113000      0.7503000
  1 1 1      -5   -9   29 o    6.095000      0.3980000       6.455000 0.5910000       5.735000      0.5334000      0.7204000      0.7961000
  1 1 1      -5   -9   30 o    7.280000      0.3251000       7.871000 0.4370000       6.689000      0.4815000       1.183000      0.6503000
  1 1 1      -5   -9   31 o    3.605000      0.5664000       4.332000 0.6795000       2.878000      0.9063000       1.454000       1.133000
  1 1 1      -5   -9   32 o    6.340000      0.3737000       6.401000 0.4952000       6.280000      0.5599000      0.1207000      0.7475000
  1 1 1      -5   -9   33 o    8.581000      0.3056000       8.605000 0.4198000       8.558000      0.4444000      0.4709000E-01  0.6113000
  1 1 1      -5   -9   34 o    6.604000      0.3615000       6.379000 0.5206000       6.828000      0.5016000     -0.4494000      0.7230000
  1 1 1      -5   -9   35 o    4.297000      0.5180000       4.013000 0.8088000       4.581000      0.6475000     -0.5683000       1.036000
  1 1 1      -5   -9   36 o    2.085000      0.5959000       2.325000 0.8884000       1.846000      0.7945000      0.4792000       1.192000
  1 1 1      -5   -9   37 o    1.747000      0.5759000       1.932000 0.8949000       1.562000      0.7251000      0.3704000       1.152000
  1 1 1      -5   -8    1 o    11.35000      0.1713000       11.56000 0.2457000       11.13000      0.2389000      0.4338000      0.3427000
  1 1 1      -5   -8    2 o    39.09000      0.5255000       39.95000 0.7589000       38.23000      0.7271000       1.713000       1.051000
  1 1 1      -5   -8    3 o    23.12000      0.4499000       23.06000 0.6354000       23.18000      0.6371000     -0.1189000      0.8998000
  1 1 1      -5   -8    4 o    4.508000      0.2300000       4.509000 0.3427000       4.507000      0.3069000      0.1860000E-02  0.4600000
  1 1 1      -5   -8    5 o    18.88000      0.3767000       19.15000 0.5408000       18.60000      0.5246000      0.5452000      0.7534000
  1 1 1      -5   -8    6 o    13.66000      0.2063000       13.87000 0.2948000       13.44000      0.2888000      0.4251000      0.4127000
  1 1 1      -5   -8    7 o    3.395000      0.3047000       3.114000 0.4629000       3.676000      0.3962000     -0.5624000      0.6093000
  1 1 1      -5   -8    8 o    22.52000      0.4434000       22.86000 0.6343000       22.18000      0.6196000      0.6833000      0.8867000
  1 1 1      -5   -8    9 o    8.189000      0.2377000       7.973000 0.3233000       8.405000      0.3485000     -0.4319000      0.4754000
  1 1 1      -5   -8   10 o    4.096000      0.2340000       4.245000 0.3142000       3.947000      0.3469000      0.2983000      0.4681000
  1 1 1      -5   -8   11 o    5.585000      0.1949000       5.699000 0.2703000       5.470000      0.2808000      0.2293000      0.3897000
  1 1 1      -5   -8   12 o    11.32000      0.1972000       11.67000 0.2818000       10.98000      0.2759000      0.6846000      0.3944000
  1 1 1      -5   -8   13 o    9.186000      0.1877000       9.176000 0.2634000       9.195000      0.2674000     -0.1910000E-01  0.3754000
  1 1 1      -5   -8   14 o    2.240000      0.4019000       2.811000 0.5113000       1.669000      0.6202000       1.143000      0.8038000
  1 1 1      -5   -8   15 o    11.39000      0.2070000       11.48000 0.2905000       11.31000      0.2949000      0.1702000      0.4140000
  1 1 1      -5   -8   16 o    7.259000      0.2097000       7.088000 0.2962000       7.430000      0.2968000     -0.3417000      0.4193000
  1 1 1      -5   -8   17 o    7.332000      0.2098000       7.167000 0.3013000       7.496000      0.2920000     -0.3293000      0.4196000
  1 1 1      -5   -8   18 o    8.815000      0.2139000       9.078000 0.3050000       8.551000      0.3000000      0.5267000      0.4278000
  1 1 1      -5   -8   19 o    3.523000      0.3813000       3.330000 0.5722000       3.716000      0.5042000     -0.3860000      0.7626000
  1 1 1      -5   -8   20 o    4.409000      0.3094000       4.556000 0.4334000       4.262000      0.4416000      0.2942000      0.6187000
  1 1 1      -5   -8   21 o    6.666000      0.2445000       6.875000 0.3406000       6.456000      0.3509000      0.4194000      0.4890000
  1 1 1      -5   -8   22 f    6.795000      0.2542000       6.737000 0.3610000       6.853000      0.3579000     -0.1165000      0.5083000
  1 1 1      -5   -8   23 f    7.722000      0.2482000       7.332000 0.3473000       8.113000      0.3547000     -0.7804000      0.4965000
  1 1 1      -5   -8   24 o    7.380000      0.3811000       6.895000 0.5871000       7.865000      0.4862000     -0.9701000      0.7623000
  1 1 1      -5   -8   25 o    3.079000      0.6590000       3.396000 0.9616000       2.762000      0.9014000      0.6338000       1.318000
  1 1 1      -5   -8   26 o    16.04000      0.2720000       15.92000 0.3845000       16.16000      0.3849000     -0.2482000      0.5441000
  1 1 1      -5   -8   27 o    2.401000      0.5055000       3.291000 0.7392000       1.511000      0.6896000       1.780000       1.011000
  1 1 1      -5   -8   28 o    16.96000      0.4011000       16.83000 0.5474000       17.10000      0.5865000     -0.2728000      0.8023000
  1 1 1      -5   -8   29 o    1.702000      0.5299000       1.510000 0.6952000       1.893000      0.8000000     -0.3825000       1.060000
  1 1 1      -5   -8   30 o    6.959000      0.3151000       7.231000 0.4306000       6.687000      0.4600000      0.5443000      0.6301000
  1 1 1      -5   -8   31 o    3.759000      0.5396000       3.847000 0.7298000       3.671000      0.7949000      0.1765000       1.079000
  1 1 1      -5   -8   32 o    6.002000      0.3803000       5.811000 0.5395000       6.192000      0.5361000     -0.3806000      0.7605000
  1 1 1      -5   -8   33 o    5.962000      0.3884000       6.065000 0.5285000       5.859000      0.5693000      0.2058000      0.7768000
  1 1 1      -5   -8   34 o    2.439000      0.6249000       2.684000 0.8862000       2.194000      0.8812000      0.4907000       1.250000
  1 1 1      -5   -8   35 o    2.226000      0.6130000       2.034000 0.8486000       2.419000      0.8850000     -0.3845000       1.226000
  1 1 1      -5   -8   36 o    4.221000      0.5195000       4.454000 0.7245000       3.989000      0.7448000      0.4658000       1.039000
  1 1 1      -5   -8   37 o    2.807000      0.5916000       3.361000 0.8040000       2.254000      0.8682000       1.107000       1.183000
  1 1 1      -5   -7    1 o    21.38000      0.2931000       21.63000 0.4190000       21.14000      0.4100000      0.4913000      0.5862000
  1 1 1      -5   -7    2 o    22.87000      0.3138000       22.82000 0.4425000       22.91000      0.4452000     -0.8862000E-01  0.6277000
  1 1 1      -5   -7    3 o    13.17000      0.1946000       13.17000 0.2750000       13.18000      0.2755000     -0.8209000E-02  0.3892000
  1 1 1      -5   -7    4 o    20.83000      0.2891000       20.43000 0.4020000       21.22000      0.4155000     -0.7899000      0.5781000
  1 1 1      -5   -7    5 o    16.45000      0.3338000       16.36000 0.4715000       16.54000      0.4727000     -0.1823000      0.6676000
  1 1 1      -5   -7    6 o    11.52000      0.2588000       11.40000 0.3667000       11.64000      0.3652000     -0.2431000      0.5175000
  1 1 1      -5   -7    7 o    27.92000      0.3816000       27.74000 0.5367000       28.10000      0.5426000     -0.3670000      0.7632000
  1 1 1      -5   -7    8 o    21.13000      0.2965000       20.82000 0.4136000       21.44000      0.4250000     -0.6213000      0.5930000
  1 1 1      -5   -7    9 o    19.30000      0.2743000       19.02000 0.3826000       19.58000      0.3931000     -0.5519000      0.5486000
  1 1 1      -5   -7   10 o    19.81000      0.3981000       19.05000 0.5424000       20.57000      0.5828000      -1.521000      0.7961000
  1 1 1      -5   -7   11 o    16.77000      0.3500000       17.41000 0.5060000       16.13000      0.4836000       1.284000      0.6999000
  1 1 1      -5   -7   12 o    10.10000      0.1884000       10.26000 0.2682000       9.937000      0.2647000      0.3266000      0.3769000
  1 1 1      -5   -7   13 o    10.12000      0.1915000       9.891000 0.2692000       10.34000      0.2724000     -0.4495000      0.3829000
  1 1 1      -5   -7   14 o    4.356000      0.2445000       4.666000 0.3261000       4.045000      0.3644000      0.6213000      0.4890000
  1 1 1      -5   -7   15 o    10.13000      0.1983000       10.06000 0.2791000       10.19000      0.2818000     -0.1355000      0.3966000
  1 1 1      -5   -7   16 o    10.56000      0.2047000       10.85000 0.2894000       10.28000      0.2897000      0.5715000      0.4095000
  1 1 1      -5   -7   17 o    7.705000      0.2073000       7.658000 0.2910000       7.752000      0.2952000     -0.9373000E-01  0.4145000
  1 1 1      -5   -7   18 o    5.381000      0.2565000       5.307000 0.3576000       5.454000      0.3678000     -0.1477000      0.5130000
  1 1 1      -5   -7   19 o    3.841000      0.3325000       3.834000 0.4760000       3.849000      0.4643000     -0.1524000E-01  0.6649000
  1 1 1      -5   -7   20 o    5.736000      0.2544000       6.319000 0.3357000       5.154000      0.3824000       1.165000      0.5088000
  1 1 1      -5   -7   21 o    9.557000      0.2200000       9.950000 0.3093000       9.165000      0.3129000      0.7854000      0.4400000
  1 1 1      -5   -7   22 o    10.44000      0.2247000       10.27000 0.3127000       10.62000      0.3229000     -0.3507000      0.4495000
  1 1 1      -5   -7   23 o    6.260000      0.2697000       6.300000 0.3791000       6.219000      0.3838000      0.8051000E-01  0.5395000
  1 1 1      -5   -7   24 o    4.519000      0.3606000       4.559000 0.5118000       4.480000      0.5082000      0.7892000E-01  0.7213000
  1 1 1      -5   -7   25 o    3.963000      0.5912000       4.041000 0.8982000       3.886000      0.7688000      0.1558000       1.182000
  1 1 1      -5   -7   26 o    7.493000      0.2707000       7.525000 0.3781000       7.460000      0.3874000      0.6545000E-01  0.5413000
  1 1 1      -5   -7   27 o    5.900000      0.3155000       5.667000 0.4626000       6.132000      0.4290000     -0.4652000      0.6309000
  1 1 1      -5   -7   28 o    19.25000      0.4297000       18.20000 0.5743000       20.29000      0.6393000      -2.089000      0.8594000
  1 1 1      -5   -7   29 f    1.846000      0.5465000       2.060000 0.8089000       1.631000      0.7349000      0.4293000       1.093000
  1 1 1      -5   -7   30 o    5.401000      0.3813000       5.537000 0.5241000       5.265000      0.5540000      0.2719000      0.7626000
  1 1 1      -5   -7   31 o    3.321000      0.5838000       3.219000 0.8344000       3.424000      0.8168000     -0.2045000       1.168000
  1 1 1      -5   -7   32 o    2.395000      0.6226000       2.555000 0.8729000       2.235000      0.8881000      0.3196000       1.245000
  1 1 1      -5   -7   33 o    6.867000      0.3667000       6.415000 0.5297000       7.320000      0.5073000     -0.9052000      0.7335000
  1 1 1      -5   -7   34 o    2.212000      0.6204000       2.478000 0.9037000       1.946000      0.8502000      0.5320000       1.241000
  1 1 1      -5   -7   35 o    2.770000      0.6110000       2.093000 0.8561000       3.446000      0.8720000      -1.353000       1.222000
  1 1 1      -5   -7   36 o    3.799000      0.5698000       3.673000 0.8432000       3.924000      0.7665000     -0.2512000       1.140000
  1 1 1      -5   -7   37 o    4.594000      0.4699000       4.501000 0.6672000       4.687000      0.6619000     -0.1857000      0.9398000
  1 1 1      -5   -6    1 o    16.54000      0.2315000       16.18000 0.3219000       16.89000      0.3329000     -0.7077000      0.4631000
  1 1 1      -5   -6    2 o    16.09000      0.2268000       16.27000 0.3242000       15.90000      0.3172000      0.3678000      0.4536000
  1 1 1      -5   -6    3 o    4.033000      0.1470000       4.205000 0.1992000       3.861000      0.2162000      0.3444000      0.2940000
  1 1 1      -5   -6    4 f    11.89000      0.1811000       11.83000 0.2550000       11.95000      0.2573000     -0.1213000      0.3623000
  1 1 1      -5   -6    5 o    15.48000      0.2231000       15.37000 0.3131000       15.58000      0.3179000     -0.2117000      0.4462000
  1 1 1      -5   -6    6 o    20.06000      0.2807000       20.34000 0.4017000       19.78000      0.3921000      0.5567000      0.5614000
  1 1 1      -5   -6    7 o    14.08000      0.2979000       13.73000 0.4159000       14.42000      0.4267000     -0.6817000      0.5959000
  1 1 1      -5   -6    8 o    14.37000      0.2612000       14.18000 0.2994000       14.57000      0.4281000     -0.3886000      0.5224000
  1 1 1      -5   -6    9 o    7.184000      0.1646000       6.917000 0.2375000       7.451000      0.2280000     -0.5340000      0.3292000
  1 1 1      -5   -6   10 o    6.069000      0.2433000       5.636000 0.3408000       6.503000      0.3472000     -0.8671000      0.4865000
  1 1 1      -5   -6   11 o    14.05000      0.3058000       13.93000 0.4260000       14.17000      0.4388000     -0.2452000      0.6115000
  1 1 1      -5   -6   12 o    10.35000      0.1872000       10.49000 0.2654000       10.22000      0.2641000      0.2702000      0.3744000
  1 1 1      -5   -6   13 o    4.553000      0.2286000       4.314000 0.3375000       4.792000      0.3085000     -0.4779000      0.4572000
  1 1 1      -5   -6   14 o    9.320000      0.1884000       9.315000 0.2653000       9.324000      0.2676000     -0.8961000E-02  0.3768000
  1 1 1      -5   -6   15 o    9.542000      0.1932000       9.506000 0.2712000       9.578000      0.2753000     -0.7243000E-01  0.3865000
  1 1 1      -5   -6   16 o    12.21000      0.2559000       12.30000 0.4116000       12.13000      0.3041000      0.1687000      0.5118000
  1 1 1      -5   -6   17 o    3.074000      0.5311000       3.074000 0.5311000                  ?              ?              ?              ?
  1 1 1      -5   -6   18 o    5.609000      0.2391000       5.753000 0.3315000       5.465000      0.3447000      0.2873000      0.4782000
  1 1 1      -5   -6   19 o    1.586000      0.6458000                  ?       ?   1.586000      0.6458000                  ?              ?
  1 1 1      -5   -6   20 o    4.858000      0.2879000       5.198000 0.3925000       4.519000      0.4213000      0.6795000      0.5758000
  1 1 1      -5   -6   21 o    2.391000      0.4596000       3.024000 0.6200000       1.758000      0.6786000       1.267000      0.9191000
  1 1 1      -5   -6   22 o    6.014000      0.2647000       5.796000 0.3746000       6.233000      0.3740000     -0.4371000      0.5294000
  1 1 1      -5   -6   23 o    10.82000      0.2311000       10.76000 0.3236000       10.87000      0.3299000     -0.1128000      0.4621000
  1 1 1      -5   -6   24 o    5.542000      0.3002000       5.555000 0.4234000       5.529000      0.4258000      0.2597000E-01  0.6004000
  1 1 1      -5   -6   25 o    9.477000      0.3422000       9.496000 0.5073000       9.458000      0.4593000      0.3870000E-01  0.6843000
  1 1 1      -5   -6   26 o    5.742000      0.3134000       6.215000 0.4150000       5.268000      0.4697000      0.9468000      0.6268000
  1 1 1      -5   -6   27 o    4.199000      0.4307000       4.744000 0.5346000       3.655000      0.6755000       1.089000      0.8614000
  1 1 1      -5   -6   28 o    8.788000      0.3771000       8.163000 0.5061000       9.413000      0.5592000      -1.250000      0.7542000
  1 1 1      -5   -6   29 o    12.62000      0.3650000       12.71000 0.4965000       12.52000      0.5352000      0.1958000      0.7300000
  1 1 1      -5   -6   30 o    2.046000      0.5766000       2.229000 0.8407000       1.863000      0.7894000      0.3661000       1.153000
  1 1 1      -5   -6   31 o    3.119000      0.5979000       3.211000 0.8236000       3.027000      0.8670000      0.1843000       1.196000
  1 1 1      -5   -6   32 o    8.783000      0.2982000       8.685000 0.4178000       8.880000      0.4255000     -0.1952000      0.5964000
  1 1 1      -5   -6   33 o    6.917000      0.3545000       7.025000 0.4951000       6.808000      0.5075000      0.2165000      0.7089000
  1 1 1      -5   -6   34 o    3.078000      0.6505000       2.957000 0.8929000       3.199000      0.9462000     -0.2423000       1.301000
  1 1 1      -5   -6   35 o    2.542000      0.6242000       2.909000 0.8852000       2.175000      0.8801000      0.7339000       1.248000
  1 1 1      -5   -6   36 o    4.641000      0.4565000       5.021000 0.6290000       4.261000      0.6617000      0.7599000      0.9130000
  1 1 1      -5   -6   37 o    3.310000      0.6030000       3.664000 0.8171000       2.956000      0.8870000      0.7079000       1.206000
  1 1 1      -5   -5    1 o    9.744000      0.1502000       9.683000 0.2113000       9.804000      0.2136000     -0.1203000      0.3005000
  1 1 1      -5   -5    2 o    15.12000      0.2140000       15.10000 0.3023000       15.15000      0.3031000     -0.4462000E-01  0.4281000
  1 1 1      -5   -5    3 o    9.551000      0.1531000       9.605000 0.2167000       9.496000      0.2163000      0.1092000      0.3062000
  1 1 1      -5   -5    4 o    6.492000      0.1650000       6.464000 0.2678000       6.520000      0.1927000     -0.5605000E-01  0.3300000
  1 1 1      -5   -5    5 o    11.73000      0.1795000       11.91000 0.2573000       11.56000      0.2503000      0.3406000      0.3589000
  1 1 1      -5   -5    6 f    14.89000      0.2171000       15.00000 0.3089000       14.78000      0.3053000      0.2161000      0.4343000
  1 1 1      -5   -5    7 o    15.96000      0.2310000       15.85000 0.3248000       16.07000      0.3286000     -0.2234000      0.4621000
  1 1 1      -5   -5    8 o    8.842000      0.2313000       9.225000 0.3339000       8.458000      0.3201000      0.7674000      0.4625000
  1 1 1      -5   -5    9 o    19.65000      0.2781000       19.63000 0.3929000       19.66000      0.3938000     -0.3348000E-01  0.5562000
  1 1 1      -5   -5   10 o    18.19000      0.2617000       17.57000 0.3588000       18.81000      0.3811000      -1.234000      0.5234000
  1 1 1      -5   -5   11 o    12.70000      0.2846000       12.55000 0.3955000       12.84000      0.4093000     -0.2950000      0.5692000
  1 1 1      -5   -5   12 o    13.35000      0.2976000       12.96000 0.4083000       13.75000      0.4330000     -0.7893000      0.5951000
  1 1 1      -5   -5   13 o    5.675000      0.1946000       5.607000 0.2744000       5.744000      0.2759000     -0.1372000      0.3892000
  1 1 1      -5   -5   14 o    8.399000      0.1854000       8.308000 0.2609000       8.490000      0.2635000     -0.1816000      0.3708000
  1 1 1      -5   -5   15 f    16.04000      0.2448000       15.88000 0.3429000       16.20000      0.3496000     -0.3125000      0.4897000
  1 1 1      -5   -5   16 o    7.744000      0.1979000       7.906000 0.2759000       7.583000      0.2839000      0.3233000      0.3959000
  1 1 1      -5   -5   17 o    2.980000      0.5192000       2.980000 0.5192000                  ?              ?              ?              ?
  1 1 1      -5   -5   18 o    5.639000      0.2366000       5.829000 0.3283000       5.450000      0.3408000      0.3788000      0.4732000
  1 1 1      -5   -5   19 o    2.762000      0.6220000                  ?       ?   2.762000      0.6220000                  ?              ?
  1 1 1      -5   -5   20 o    4.163000      0.3184000       4.053000 0.4754000       4.272000      0.4236000     -0.2189000      0.6368000
  1 1 1      -5   -5   21 o    4.167000      0.3268000       4.083000 0.4786000       4.250000      0.4451000     -0.1674000      0.6536000
  1 1 1      -5   -5   22 o    5.243000      0.2850000       5.401000 0.3950000       5.085000      0.4109000      0.3157000      0.5700000
  1 1 1      -5   -5   23 f    10.19000      0.2319000       9.872000 0.3293000       10.51000      0.3265000     -0.6420000      0.4638000
  1 1 1      -5   -5   24 o    2.328000      0.5231000       2.500000 0.7320000       2.156000      0.7474000      0.3435000       1.046000
  1 1 1      -5   -5   25 o    12.87000      0.3492000       12.55000 0.5067000       13.20000      0.4807000     -0.6535000      0.6984000
  1 1 1      -5   -5   26 o    2.405000      0.6283000       2.146000 0.9003000       2.665000      0.8767000     -0.5187000       1.257000
  1 1 1      -5   -5   27 o    2.666000      0.5218000       2.090000 0.7653000       3.242000      0.7095000      -1.152000       1.044000
  1 1 1      -5   -5   28 o    4.218000      0.6040000       3.949000 0.8316000       4.487000      0.8762000     -0.5374000       1.208000
  1 1 1      -5   -5   29 o    19.32000      0.4349000       18.97000 0.6005000       19.67000      0.6292000     -0.6952000      0.8698000
  1 1 1      -5   -5   30 o    3.483000      0.5200000       2.309000 0.8366000       4.658000      0.6179000      -2.349000       1.040000
  1 1 1      -5   -5   31 o    5.449000      0.3837000       5.171000 0.5591000       5.728000      0.5258000     -0.5576000      0.7675000
  1 1 1      -5   -5   32 f    9.582000      0.2964000       10.33000 0.3961000       8.831000      0.4410000       1.501000      0.5928000
  1 1 1      -5   -5   33 o    9.200000      0.2967000       9.352000 0.4200000       9.049000      0.4192000      0.3035000      0.5934000
  1 1 1      -5   -5   34 o    6.478000      0.3661000       5.756000 0.5525000       7.201000      0.4806000      -1.445000      0.7323000
  1 1 1      -5   -5   35 o    2.900000      0.6402000       3.002000 0.8879000       2.799000      0.9225000      0.2030000       1.280000
  1 1 1      -5   -5   36 o    4.339000      0.4971000       4.623000 0.6744000       4.056000      0.7304000      0.5666000      0.9942000
  1 1 1      -5   -5   37 o    2.754000      0.5985000       3.436000 0.8652000       2.072000      0.8273000       1.364000       1.197000
  1 1 1      -5   -4    1 o    2.750000      0.1537000       2.484000 0.2366000       3.016000      0.1963000     -0.5318000      0.3074000
  1 1 1      -5   -4    2 o    8.728000      0.1410000       8.699000 0.1997000       8.757000      0.1991000     -0.5810000E-01  0.2820000
  1 1 1      -5   -4    3 o    4.488000      0.1556000       4.628000 0.1780000       4.349000      0.2553000      0.2785000      0.3112000
  1 1 1      -5   -4    4 o    10.05000      0.1583000       10.14000 0.2256000       9.947000      0.2223000      0.1969000      0.3167000
  1 1 1      -5   -4    5 o    11.43000      0.1748000       11.41000 0.2467000       11.45000      0.2477000     -0.4148000E-01  0.3496000
  1 1 1      -5   -4    6 f    17.25000      0.2450000       17.71000 0.3552000       16.79000      0.3374000      0.9231000      0.4899000
  1 1 1      -5   -4    7 o    16.65000      0.2382000       16.71000 0.3379000       16.58000      0.3357000      0.1342000      0.4764000
  1 1 1      -5   -4    8 o    25.97000      0.5043000       25.62000 0.7047000       26.32000      0.7215000     -0.6946000       1.009000
  1 1 1      -5   -4    9 o    16.77000      0.3433000       16.90000 0.4900000       16.64000      0.4809000      0.2621000      0.6866000
  1 1 1      -5   -4   10 o    1.969000      0.3315000       1.393000 0.5167000       2.544000      0.4156000      -1.151000      0.6631000
  1 1 1      -5   -4   11 o    15.77000      0.3304000       15.76000 0.4655000       15.79000      0.4690000     -0.2208000E-01  0.6608000
  1 1 1      -5   -4   12 o    11.80000      0.2750000       11.87000 0.3868000       11.72000      0.3910000      0.1485000      0.5500000
  1 1 1      -5   -4   13 o    9.050000      0.1814000       8.742000 0.2571000       9.358000      0.2559000     -0.6162000      0.3627000
  1 1 1      -5   -4   14 o    4.357000      0.2306000       4.312000 0.3350000       4.401000      0.3170000     -0.8919000E-01  0.4612000
  1 1 1      -5   -4   15 o    7.165000      0.1912000       6.977000 0.2713000       7.354000      0.2694000     -0.3768000      0.3823000
  1 1 1      -5   -4   16 o    8.097000      0.1954000       8.328000 0.2779000       7.867000      0.2746000      0.4613000      0.3907000
  1 1 1      -5   -4   17 o    9.062000      0.1988000       9.244000 0.2850000       8.880000      0.2772000      0.3640000      0.3975000
  1 1 1      -5   -4   18 o    8.712000      0.2034000       9.098000 0.2914000       8.326000      0.2840000      0.7720000      0.4069000
  1 1 1      -5   -4   19 o    2.255000      0.4645000       2.190000 0.6446000       2.321000      0.6691000     -0.1314000      0.9291000
  1 1 1      -5   -4   20 o    2.663000      0.4400000       2.106000 0.6936000       3.219000      0.5414000      -1.112000      0.8799000
  1 1 1      -5   -4   21 o    7.093000      0.2322000       7.540000 0.3280000       6.647000      0.3288000      0.8929000      0.4644000
  1 1 1      -5   -4   22 o    9.529000      0.2231000       9.370000 0.3203000       9.688000      0.3108000     -0.3181000      0.4463000
  1 1 1      -5   -4   23 o    6.314000      0.2639000       6.028000 0.3790000       6.601000      0.3674000     -0.5726000      0.5278000
  1 1 1      -5   -4   24 o    12.16000      0.2390000       12.11000 0.3377000       12.21000      0.3382000     -0.9443000E-01  0.4780000
  1 1 1      -5   -4   25 o    9.076000      0.3469000       8.832000 0.5221000       9.320000      0.4569000     -0.4883000      0.6938000
  1 1 1      -5   -4   26 o    8.033000      0.3595000       7.635000 0.5406000       8.430000      0.4742000     -0.7947000      0.7191000
  1 1 1      -5   -4   27 o    4.939000      0.3404000       4.774000 0.4912000       5.104000      0.4714000     -0.3300000      0.6808000
  1 1 1      -5   -4   28 o    9.047000      0.3683000       8.672000 0.5090000       9.422000      0.5324000     -0.7492000      0.7366000
  1 1 1      -5   -4   29 o    14.82000      0.3824000       15.00000 0.5296000       14.64000      0.5517000      0.3619000      0.7648000
  1 1 1      -5   -4   30 o    6.514000      0.3206000       6.023000 0.4687000       7.005000      0.4376000     -0.9814000      0.6412000
  1 1 1      -5   -4   31 o    4.924000      0.4062000       4.647000 0.6035000       5.201000      0.5437000     -0.5545000      0.8124000
  1 1 1      -5   -4   32 o    10.17000      0.2816000       10.18000 0.3957000       10.16000      0.4006000      0.2724000E-01  0.5631000
  1 1 1      -5   -4   33 f    9.639000      0.2947000       9.165000 0.4227000       10.11000      0.4108000     -0.9474000      0.5895000
  1 1 1      -5   -4   34 o    7.499000      0.3265000       7.261000 0.4612000       7.738000      0.4622000     -0.4769000      0.6530000
  1 1 1      -5   -4   35 o    2.800000      0.6288000       3.036000 0.8892000       2.564000      0.8892000      0.4719000       1.258000
  1 1 1      -5   -4   36 o    5.405000      0.4016000       5.641000 0.5772000       5.168000      0.5586000      0.4731000      0.8032000
  1 1 1      -5   -4   37 o    3.033000      0.6192000       2.863000 0.9300000       3.202000      0.8176000     -0.3385000       1.238000
  1 1 1      -5   -3    1 f    12.05000      0.1737000       11.94000 0.2435000       12.17000      0.2479000     -0.2332000      0.3475000
  1 1 1      -5   -3    2 o    11.95000      0.1746000       11.90000 0.2462000       12.01000      0.2476000     -0.1099000      0.3492000
  1 1 1      -5   -3    3 o    9.589000      0.1504000       9.637000 0.2137000       9.540000      0.2118000      0.9748000E-01  0.3009000
  1 1 1      -5   -3    4 o    14.74000      0.2107000       14.33000 0.2911000       15.14000      0.3046000     -0.8048000      0.4214000
  1 1 1      -5   -3    5 o    2.151000      0.2383000       2.344000 0.3121000       1.958000      0.3602000      0.3856000      0.4766000
  1 1 1      -5   -3    6 o    9.893000      0.2017000       9.398000 0.2222000       10.39000      0.3367000     -0.9885000      0.4034000
  1 1 1      -5   -3    7 o    13.79000      0.2049000       13.64000 0.2878000       13.94000      0.2916000     -0.2961000      0.4097000
  1 1 1      -5   -3    8 o    19.19000      0.3824000       18.88000 0.5340000       19.49000      0.5475000     -0.6042000      0.7649000
  1 1 1      -5   -3    9 f    9.012000      0.2317000       8.432000 0.3211000       9.592000      0.3342000      -1.159000      0.4635000
  1 1 1      -5   -3   10 o    11.63000      0.1884000       11.45000 0.2648000       11.81000      0.2681000     -0.3535000      0.3768000
  1 1 1      -5   -3   11 o    21.76000      0.3056000       21.58000 0.4298000       21.94000      0.4346000     -0.3539000      0.6112000
  1 1 1      -5   -3   12 o    13.54000      0.2995000       13.35000 0.4157000       13.72000      0.4312000     -0.3688000      0.5990000
  1 1 1      -5   -3   13 o    9.259000      0.1802000       9.221000 0.2554000       9.298000      0.2544000     -0.7633000E-01  0.3605000
  1 1 1      -5   -3   14 o    4.578000      0.2172000       4.733000 0.3029000       4.423000      0.3115000      0.3103000      0.4345000
  1 1 1      -5   -3   15 o    8.011000      0.1854000       8.252000 0.2603000       7.770000      0.2641000      0.4826000      0.3708000
  1 1 1      -5   -3   16 o    9.265000      0.1921000       9.211000 0.2687000       9.319000      0.2747000     -0.1076000      0.3843000
  1 1 1      -5   -3   17 o    13.82000      0.2262000       13.96000 0.3204000       13.68000      0.3194000      0.2746000      0.4524000
  1 1 1      -5   -3   18 o    2.093000      0.4518000       1.976000 0.6444000       2.210000      0.6335000     -0.2334000      0.9037000
  1 1 1      -5   -3   19 o    4.860000      0.2644000       4.614000 0.3903000       5.105000      0.3567000     -0.4909000      0.5287000
  1 1 1      -5   -3   20 o    3.174000      0.3984000       3.926000 0.4571000       2.421000      0.6527000       1.505000      0.7968000
  1 1 1      -5   -3   21 o    4.938000      0.2824000       5.426000 0.3772000       4.450000      0.4203000      0.9763000      0.5647000
  1 1 1      -5   -3   22 f    6.531000      0.2455000       6.600000 0.3484000       6.461000      0.3460000      0.1395000      0.4910000
  1 1 1      -5   -3   23 o    1.724000      0.4942000       1.842000 0.7216000       1.606000      0.6755000      0.2359000      0.9884000
  1 1 1      -5   -3   24 o    16.63000      0.2707000       16.05000 0.3763000       17.21000      0.3893000      -1.160000      0.5415000
  1 1 1      -5   -3   25 o    9.326000      0.3322000       9.745000 0.4807000       8.907000      0.4586000      0.8379000      0.6644000
  1 1 1      -5   -3   26 f    9.138000      0.2403000       9.313000 0.3392000       8.964000      0.3404000      0.3492000      0.4805000
  1 1 1      -5   -3   27 o    9.130000      0.2447000       9.069000 0.3445000       9.190000      0.3475000     -0.1212000      0.4893000
  1 1 1      -5   -3   28 o    4.687000      0.5302000       4.588000 0.7331000       4.786000      0.7662000     -0.1975000       1.060000
  1 1 1      -5   -3   29 o    8.809000      0.2676000       8.926000 0.3790000       8.691000      0.3779000      0.2344000      0.5352000
  1 1 1      -5   -3   30 o    6.401000      0.3245000       6.224000 0.4707000       6.578000      0.4469000     -0.3542000      0.6490000
  1 1 1      -5   -3   31 o    9.752000      0.2785000       9.848000 0.3941000       9.655000      0.3937000      0.1939000      0.5570000
  1 1 1      -5   -3   32 o    2.856000      0.6131000       3.240000 0.8537000       2.473000      0.8802000      0.7674000       1.226000
  1 1 1      -5   -3   33 o    5.687000      0.3911000       5.558000 0.5622000       5.815000      0.5439000     -0.2565000      0.7822000
  1 1 1      -5   -3   34 o    9.474000      0.2876000       9.553000 0.4034000       9.395000      0.4100000      0.1576000      0.5752000
  1 1 1      -5   -3   35 o    2.730000      0.6330000       2.687000 0.9144000       2.773000      0.8755000     -0.8581000E-01   1.266000
  1 1 1      -5   -3   36 f    3.281000      0.5831000       4.043000 0.7635000       2.518000      0.8815000       1.525000       1.166000
  1 1 1      -5   -3   37 f    2.909000      0.5850000       2.104000 0.8588000       3.715000      0.7944000      -1.611000       1.170000
  1 1 1      -5   -2    1 o    18.01000      0.2477000       17.86000 0.3474000       18.15000      0.3531000     -0.2895000      0.4954000
  1 1 1      -5   -2    2 o    10.31000      0.1552000       10.38000 0.2206000       10.25000      0.2184000      0.1277000      0.3104000
  1 1 1      -5   -2    3 o    19.13000      0.2641000       19.29000 0.3764000       18.97000      0.3705000      0.3216000      0.5282000
  1 1 1      -5   -2    4 o    5.181000      0.1277000       5.313000 0.1806000       5.049000      0.1807000      0.2647000      0.2554000
  1 1 1      -5   -2    5 o    1.288000      0.2789000      0.9404000 0.3931000       1.635000      0.3957000     -0.6951000      0.5577000
  1 1 1      -5   -2    6 o    2.997000      0.1803000       3.008000 0.2581000       2.986000      0.2519000      0.2154000E-01  0.3607000
  1 1 1      -5   -2    7 o    9.191000      0.1578000       8.911000 0.2194000       9.471000      0.2269000     -0.5602000      0.3156000
  1 1 1      -5   -2    8 o    8.973000      0.2247000       9.242000 0.3249000       8.705000      0.3104000      0.5372000      0.4494000
  1 1 1      -5   -2   10 o    1.778000      0.3490000       1.598000 0.5100000       1.957000      0.4764000     -0.3593000      0.6979000
  1 1 1      -5   -2   11 o    21.00000      0.4186000       20.53000 0.5788000       21.47000      0.6049000     -0.9445000      0.8372000
  1 1 1      -5   -2   12 o    11.28000      0.2691000       11.21000 0.3734000       11.36000      0.3877000     -0.1590000      0.5383000
  1 1 1      -5   -2   13 o    10.49000      0.1865000       10.33000 0.2612000       10.66000      0.2663000     -0.3282000      0.3731000
  1 1 1      -5   -2   14 o    6.100000      0.1913000       5.956000 0.2755000       6.245000      0.2655000     -0.2894000      0.3826000
  1 1 1      -5   -2   15 o    8.636000      0.1858000       8.592000 0.2622000       8.679000      0.2635000     -0.8687000E-01  0.3717000
  1 1 1      -5   -2   16 o    9.913000      0.2425000       10.11000 0.2756000       9.712000      0.3990000      0.4018000      0.4849000
  1 1 1      -5   -2   17 f    8.610000      0.2495000       8.914000 0.2757000       8.306000      0.4160000      0.6078000      0.4991000
  1 1 1      -5   -2   18 o    8.413000      0.2017000       8.444000 0.2861000       8.382000      0.2845000      0.6235000E-01  0.4034000
  1 1 1      -5   -2   19 o    4.957000      0.2583000       5.135000 0.3618000       4.778000      0.3686000      0.3564000      0.5165000
  1 1 1      -5   -2   20 o    2.194000      0.4905000       2.282000 0.6984000       2.106000      0.6891000      0.1763000      0.9811000
  1 1 1      -5   -2   21 o    6.082000      0.2511000       6.205000 0.3486000       5.959000      0.3617000      0.2460000      0.5023000
  1 1 1      -5   -2   22 o    5.491000      0.2641000       5.010000 0.3911000       5.972000      0.3551000     -0.9630000      0.5282000
  1 1 1      -5   -2   23 f    7.602000      0.2348000       7.845000 0.3318000       7.360000      0.3323000      0.4852000      0.4696000
  1 1 1      -5   -2   24 o    10.39000      0.2302000       10.41000 0.3252000       10.37000      0.3258000      0.4381000E-01  0.4603000
  1 1 1      -5   -2   25 o    3.302000      0.5926000       2.841000 0.9128000       3.763000      0.7560000     -0.9222000       1.185000
  1 1 1      -5   -2   26 o    6.119000      0.2838000       6.125000 0.4119000       6.113000      0.3904000      0.1187000E-01  0.5676000
  1 1 1      -5   -2   27 o    7.271000      0.2722000       7.407000 0.3843000       7.134000      0.3856000      0.2738000      0.5444000
  1 1 1      -5   -2   28 o    3.377000      0.6298000       2.634000 0.9275000       4.120000      0.8522000      -1.487000       1.260000
  1 1 1      -5   -2   29 o    11.29000      0.2540000       11.22000 0.3602000       11.35000      0.3581000     -0.1265000      0.5079000
  1 1 1      -5   -2   30 o    9.418000      0.2659000       9.677000 0.3725000       9.159000      0.3795000      0.5176000      0.5318000
  1 1 1      -5   -2   31 o    9.040000      0.2755000       9.143000 0.3890000       8.937000      0.3902000      0.2061000      0.5510000
  1 1 1      -5   -2   32 o    4.313000      0.4969000       4.632000 0.6344000       3.994000      0.7649000      0.6377000      0.9937000
  1 1 1      -5   -2   33 o    3.588000      0.5687000       3.402000 0.8305000       3.774000      0.7770000     -0.3717000       1.137000
  1 1 1      -5   -2   34 o    4.815000      0.4758000       5.502000 0.5783000       4.129000      0.7556000       1.373000      0.9515000
  1 1 1      -5   -2   35 o    4.550000      0.4532000       4.202000 0.6745000       4.897000      0.6056000     -0.6947000      0.9065000
  1 1 1      -5   -2   36 o    2.221000      0.5997000       2.073000 0.8402000       2.368000      0.8560000     -0.2944000       1.199000
  1 1 1      -5   -2   37 f    2.925000      0.6036000       2.807000 0.8712000       3.043000      0.8356000     -0.2360000       1.207000
  1 1 1      -5   -1    1 o    3.633000      0.1118000       3.586000 0.1603000       3.680000      0.1559000     -0.9408000E-01  0.2236000
  1 1 1      -5   -1    2 o    7.034000      0.1229000       7.160000 0.1750000       6.909000      0.1725000      0.2512000      0.2458000
  1 1 1      -5   -1    3 o    9.483000      0.1489000       9.661000 0.2130000       9.305000      0.2082000      0.3559000      0.2978000
  1 1 1      -5   -1    4 o    1.430000      0.2605000       1.516000 0.3589000       1.344000      0.3776000      0.1718000      0.5210000
  1 1 1      -5   -1    5 o    1.406000      0.2901000       1.187000 0.4232000       1.626000      0.3970000     -0.4392000      0.5802000
  1 1 1      -5   -1    6 o    9.921000      0.1611000       10.08000 0.2296000       9.765000      0.2260000      0.3131000      0.3222000
  1 1 1      -5   -1    7 o    29.88000      0.4061000       29.70000 0.5708000       30.06000      0.5777000     -0.3615000      0.8121000
  1 1 1      -5   -1    8 o    13.77000      0.2921000       13.58000 0.4088000       13.96000      0.4174000     -0.3774000      0.5842000
  1 1 1      -5   -1    9 f    5.589000      0.2005000       5.586000 0.2219000       5.591000      0.3341000     -0.4422000E-02  0.4011000
  1 1 1      -5   -1   10 o    19.34000      0.2750000       19.09000 0.3848000       19.58000      0.3929000     -0.4899000      0.5499000
  1 1 1      -5   -1   11 o    21.23000      0.4229000       21.68000 0.6079000       20.78000      0.5879000      0.9037000      0.8457000
  1 1 1      -5   -1   12 o    14.33000      0.3112000       14.14000 0.4338000       14.52000      0.4463000     -0.3801000      0.6224000
  1 1 1      -5   -1   13 o    13.41000      0.2122000       13.26000 0.2967000       13.55000      0.3034000     -0.2912000      0.4244000
  1 1 1      -5   -1   14 o    10.51000      0.1906000       10.21000 0.2678000       10.82000      0.2712000     -0.6021000      0.3812000
  1 1 1      -5   -1   15 o    17.63000      0.2617000       17.82000 0.3726000       17.43000      0.3677000      0.3880000      0.5235000
  1 1 1      -5   -1   16 o    13.32000      0.2188000       13.05000 0.3046000       13.58000      0.3142000     -0.5273000      0.4376000
  1 1 1      -5   -1   17 o    13.88000      0.2271000       13.80000 0.3176000       13.96000      0.3246000     -0.1564000      0.4541000
  1 1 1      -5   -1   18 o    6.257000      0.3079000       6.257000 0.3079000                  ?              ?              ?              ?
  1 1 1      -5   -1   19 o    6.088000      0.2298000       5.979000 0.3280000       6.196000      0.3219000     -0.2168000      0.4596000
  1 1 1      -5   -1   20 o    7.068000      0.3175000                  ?       ?   7.068000      0.3175000                  ?              ?
  1 1 1      -5   -1   21 o    7.925000      0.2221000       8.123000 0.3176000       7.726000      0.3105000      0.3974000      0.4441000
  1 1 1      -5   -1   22 o    12.74000      0.2343000       12.47000 0.3315000       13.01000      0.3312000     -0.5382000      0.4686000
  1 1 1      -5   -1   23 o    5.623000      0.2668000       5.892000 0.3677000       5.354000      0.3867000      0.5379000      0.5336000
  1 1 1      -5   -1   24 o    8.953000      0.2827000       8.789000 0.3398000       9.117000      0.4518000     -0.3278000      0.5653000
  1 1 1      -5   -1   25 o    4.613000      0.4439000       4.506000 0.6653000       4.721000      0.5879000     -0.2150000      0.8878000
  1 1 1      -5   -1   26 o    9.088000      0.2367000       9.094000 0.3385000       9.083000      0.3308000      0.1068000E-01  0.4733000
  1 1 1      -5   -1   27 o    5.793000      0.3051000       5.209000 0.4618000       6.376000      0.3987000      -1.167000      0.6101000
  1 1 1      -5   -1   28 o    3.549000      0.6224000       2.844000 0.9370000       4.254000      0.8194000      -1.410000       1.245000
  1 1 1      -5   -1   29 o    8.450000      0.2630000       8.724000 0.3705000       8.176000      0.3734000      0.5483000      0.5261000
  1 1 1      -5   -1   30 f    5.062000      0.3669000       5.347000 0.5069000       4.776000      0.5305000      0.5711000      0.7337000
  1 1 1      -5   -1   31 f    6.208000      0.3380000       6.700000 0.4228000       5.716000      0.5275000      0.9839000      0.6760000
  1 1 1      -5   -1   32 o    3.692000      0.5227000       4.062000 0.6822000       3.322000      0.7922000      0.7398000       1.045000
  1 1 1      -5   -1   33 o    2.291000      0.6000000       2.326000 0.8524000       2.256000      0.8446000      0.7016000E-01   1.200000
  1 1 1      -5   -1   34 o    7.229000      0.3322000       7.512000 0.4452000       6.946000      0.4932000      0.5662000      0.6644000
  1 1 1      -5   -1   35 o    3.321000      0.5790000       3.836000 0.7436000       2.805000      0.8877000       1.031000       1.158000
  1 1 1      -5   -1   36 f    3.371000      0.5684000       3.880000 0.7582000       2.862000      0.8470000       1.017000       1.137000
  1 1 1      -5   -1   37 o    2.719000      0.6263000       2.890000 0.9039000       2.548000      0.8672000      0.3420000       1.253000
  1 1 1      -5    0    1 o    16.04000      0.2228000       16.17000 0.3174000       15.90000      0.3127000      0.2608000      0.4456000
  1 1 1      -5    0    2 o    15.19000      0.2134000       15.11000 0.3005000       15.27000      0.3032000     -0.1532000      0.4269000
  1 1 1      -5    0    3 o    8.425000      0.1378000       8.584000 0.1973000       8.266000      0.1925000      0.3183000      0.2757000
  1 1 1      -5    0    4 f    8.311000      0.1409000       8.383000 0.1998000       8.238000      0.1986000      0.1451000      0.2817000
  1 1 1      -5    0    5 o    21.13000      0.2920000       20.87000 0.4085000       21.39000      0.4174000     -0.5292000      0.5840000
  1 1 1      -5    0    6 o    4.401000      0.1460000       4.314000 0.2085000       4.489000      0.2044000     -0.1749000      0.2920000
  1 1 1      -5    0    7 o    25.78000      0.3537000       25.25000 0.4904000       26.32000      0.5099000      -1.073000      0.7074000
  1 1 1      -5    0    8 o    20.54000      0.4056000       20.22000 0.5665000       20.86000      0.5806000     -0.6447000      0.8112000
  1 1 1      -5    0    9 o    7.760000      0.1568000       7.451000 0.2201000       8.070000      0.2233000     -0.6188000      0.3135000
  1 1 1      -5    0   10 o    14.06000      0.2130000       13.76000 0.2971000       14.36000      0.3053000     -0.6055000      0.4260000
  1 1 1      -5    0   11 o    6.054000      0.2467000       5.752000 0.3543000       6.356000      0.3433000     -0.6044000      0.4933000
  1 1 1      -5    0   12 o    3.441000      0.2401000       3.553000 0.3246000       3.329000      0.3539000      0.2247000      0.4802000
  1 1 1      -5    0   13 o    13.48000      0.2136000       13.97000 0.3073000       13.00000      0.2968000      0.9664000      0.4273000
  1 1 1      -5    0   14 o    10.50000      0.1908000       10.64000 0.2711000       10.36000      0.2686000      0.2779000      0.3816000
  1 1 1      -5    0   15 o    14.56000      0.2283000       14.46000 0.3205000       14.66000      0.3253000     -0.2039000      0.4567000
  1 1 1      -5    0   16 o    14.68000      0.2316000       14.97000 0.3315000       14.38000      0.3236000      0.5925000      0.4632000
  1 1 1      -5    0   17 o    5.904000      0.2102000       5.883000 0.2906000       5.925000      0.3039000     -0.4260000E-01  0.4205000
  1 1 1      -5    0   18 o    1.753000      0.6200000       1.753000 0.6200000                  ?              ?              ?              ?
  1 1 1      -5    0   19 o    9.283000      0.2040000       9.097000 0.2886000       9.468000      0.2883000     -0.3708000      0.4079000
  1 1 1      -5    0   20 o    5.456000      0.3567000                  ?       ?   5.456000      0.3567000                  ?              ?
  1 1 1      -5    0   21 o    9.922000      0.2647000       10.46000 0.4353000       9.379000      0.3012000       1.086000      0.5294000
  1 1 1      -5    0   22 o    19.45000      0.2953000       20.17000 0.4296000       18.73000      0.4052000       1.433000      0.5906000
  1 1 1      -5    0   23 o    9.989000      0.2263000       10.22000 0.3245000       9.754000      0.3155000      0.4700000      0.4526000
  1 1 1      -5    0   24 o    6.268000      0.3538000       6.112000 0.5229000       6.424000      0.4768000     -0.3116000      0.7077000
  1 1 1      -5    0   25 o    12.04000      0.3334000       12.33000 0.4856000       11.76000      0.4568000      0.5719000      0.6667000
  1 1 1      -5    0   26 o    9.768000      0.2375000       9.707000 0.3427000       9.829000      0.3289000     -0.1225000      0.4750000
  1 1 1      -5    0   27 o    5.564000      0.4669000       5.604000 0.6462000       5.524000      0.6741000      0.7968000E-01  0.9338000
  1 1 1      -5    0   28 o    4.428000      0.5926000       5.018000 0.7125000       3.838000      0.9472000       1.179000       1.185000
  1 1 1      -5    0   29 o    1.745000      0.5149000       1.479000 0.6834000       2.011000      0.7703000     -0.5311000       1.030000
  1 1 1      -5    0   30 o    8.800000      0.2647000       8.514000 0.3799000       9.085000      0.3686000     -0.5714000      0.5293000
  1 1 1      -5    0   31 o    4.218000      0.4561000       4.436000 0.6122000       3.999000      0.6762000      0.4362000      0.9121000
  1 1 1      -5    0   32 o    6.660000      0.3350000       6.754000 0.4651000       6.567000      0.4822000      0.1873000      0.6699000
  1 1 1      -5    0   33 o    5.234000      0.3828000       5.249000 0.5475000       5.219000      0.5351000      0.3024000E-01  0.7656000
  1 1 1      -5    0   34 o    4.291000      0.4899000       4.243000 0.6917000       4.338000      0.6940000     -0.9508000E-01  0.9798000
  1 1 1      -5    0   35 o    3.000000      0.5898000       3.101000 0.8715000       2.898000      0.7950000      0.2030000       1.180000
  1 1 1      -5    0   36 o    2.836000      0.5997000       3.354000 0.8494000       2.318000      0.8467000       1.036000       1.199000
  1 1 1      -5    0   37 o    1.836000      0.5452000       2.297000 0.8678000       1.376000      0.6602000      0.9204000       1.090000
  1 1 1      -5    1    1 o    10.88000      0.1619000       10.57000 0.2225000       11.20000      0.2352000     -0.6286000      0.3237000
  1 1 1      -5    1    2 o    10.39000      0.1573000       10.30000 0.2207000       10.49000      0.2242000     -0.1890000      0.3146000
  1 1 1      -5    1    3 o    12.26000      0.1803000       12.25000 0.2549000       12.28000      0.2551000     -0.2790000E-01  0.3606000
  1 1 1      -5    1    4 o    11.81000      0.1771000       12.08000 0.2547000       11.54000      0.2462000      0.5396000      0.3543000
  1 1 1      -5    1    5 o    11.92000      0.1804000       11.74000 0.2522000       12.11000      0.2581000     -0.3776000      0.3609000
  1 1 1      -5    1    6 o    23.64000      0.3253000       23.55000 0.4589000       23.72000      0.4614000     -0.1664000      0.6507000
  1 1 1      -5    1    7 o    15.43000      0.3160000       15.52000 0.4499000       15.33000      0.4440000      0.1878000      0.6320000
  1 1 1      -5    1    8 o    38.11000      0.5149000       38.80000 0.7409000       37.42000      0.7152000       1.380000       1.030000
  1 1 1      -5    1    9 o    14.83000      0.2205000       14.62000 0.3073000       15.04000      0.3161000     -0.4185000      0.4409000
  1 1 1      -5    1   10 o    17.06000      0.3508000       16.45000 0.4807000       17.68000      0.5111000      -1.224000      0.7017000
  1 1 1      -5    1   11 o    8.843000      0.2426000       9.141000 0.3438000       8.545000      0.3423000      0.5965000      0.4851000
  1 1 1      -5    1   12 o    2.941000      0.2714000       3.261000 0.3438000       2.621000      0.4200000      0.6391000      0.5428000
  1 1 1      -5    1   13 o    6.170000      0.1802000       6.032000 0.2550000       6.309000      0.2546000     -0.2761000      0.3604000
  1 1 1      -5    1   14 o    13.61000      0.2167000       13.66000 0.3072000       13.56000      0.3057000      0.1016000      0.4334000
  1 1 1      -5    1   15 o    11.06000      0.1977000       11.11000 0.2796000       11.02000      0.2797000      0.9347000E-01  0.3955000
  1 1 1      -5    1   16 o    2.052000      0.3992000       1.624000 0.5911000       2.480000      0.5368000     -0.8558000      0.7984000
  1 1 1      -5    1   17 o    4.905000      0.2337000       4.727000 0.3296000       5.083000      0.3315000     -0.3561000      0.4675000
  1 1 1      -5    1   18 o    5.496000      0.2318000       5.618000 0.3218000       5.373000      0.3338000      0.2449000      0.4637000
  1 1 1      -5    1   19 o    4.485000      0.2724000       4.736000 0.3665000       4.233000      0.4032000      0.5035000      0.5449000
  1 1 1      -5    1   20 o    10.36000      0.2138000       10.34000 0.3043000       10.38000      0.3004000     -0.3969000E-01  0.4276000
  1 1 1      -5    1   21 o    3.904000      0.3346000       3.810000 0.4964000       3.997000      0.4488000     -0.1877000      0.6692000
  1 1 1      -5    1   22 o    5.023000      0.2768000       5.222000 0.3964000       4.823000      0.3864000      0.3999000      0.5536000
  1 1 1      -5    1   23 o    15.48000      0.2568000       15.76000 0.3673000       15.20000      0.3590000      0.5595000      0.5136000
  1 1 1      -5    1   24 o    11.82000      0.3272000       11.01000 0.4637000       12.63000      0.4619000      -1.620000      0.6545000
  1 1 1      -5    1   25 o    7.989000      0.2406000       8.245000 0.3369000       7.732000      0.3436000      0.5138000      0.4812000
  1 1 1      -5    1   26 o    1.538000      0.4717000       1.707000 0.7141000       1.368000      0.6164000      0.3390000      0.9433000
  1 1 1      -5    1   27 o    8.525000      0.3709000       9.185000 0.4956000       7.864000      0.5520000       1.321000      0.7419000
  1 1 1      -5    1   28 o    4.423000      0.3744000       4.399000 0.5388000       4.448000      0.5200000     -0.4971000E-01  0.7488000
  1 1 1      -5    1   29 o    2.263000      0.5363000       1.957000 0.7820000       2.570000      0.7342000     -0.6134000       1.073000
  1 1 1      -5    1   30 o    8.019000      0.2730000       8.156000 0.3944000       7.882000      0.3775000      0.2745000      0.5460000
  1 1 1      -5    1   31 o    4.386000      0.4199000       4.916000 0.5501000       3.855000      0.6345000       1.061000      0.8398000
  1 1 1      -5    1   32 o    8.163000      0.2973000       8.476000 0.4013000       7.850000      0.4388000      0.6256000      0.5947000
  1 1 1      -5    1   33 o    5.627000      0.3695000       5.747000 0.5136000       5.508000      0.5315000      0.2392000      0.7391000
  1 1 1      -5    1   34 o    3.305000      0.5935000       3.371000 0.8415000       3.239000      0.8371000      0.1320000       1.187000
  1 1 1      -5    1   35 o    3.557000      0.5595000       3.197000 0.8619000       3.917000      0.7138000     -0.7199000       1.119000
  1 1 1      -5    1   36 o    2.232000      0.6098000       2.166000 0.8490000       2.298000      0.8756000     -0.1317000       1.220000
  1 1 1      -5    1   37 o    3.950000      0.5164000       3.815000 0.7691000       4.086000      0.6894000     -0.2706000       1.033000
  1 1 1      -5    2    1 o    13.50000      0.1941000       13.42000 0.2732000       13.59000      0.2759000     -0.1625000      0.3883000
  1 1 1      -5    2    2 o    15.02000      0.2141000       15.15000 0.3049000       14.90000      0.3008000      0.2523000      0.4283000
  1 1 1      -5    2    3 o    14.16000      0.2052000       13.97000 0.2868000       14.36000      0.2935000     -0.3941000      0.4104000
  1 1 1      -5    2    4 o    14.45000      0.2555000       14.17000 0.4122000       14.74000      0.3022000     -0.5656000      0.5111000
  1 1 1      -5    2    5 o    16.48000      0.2355000       16.59000 0.3341000       16.37000      0.3320000      0.2187000      0.4710000
  1 1 1      -5    2    6 o    24.12000      0.4703000       23.79000 0.6545000       24.44000      0.6756000     -0.6545000      0.9406000
  1 1 1      -5    2    7 o    19.46000      0.2734000       19.14000 0.3804000       19.79000      0.3927000     -0.6515000      0.5467000
  1 1 1      -5    2    8 o    16.43000      0.2382000       16.29000 0.3342000       16.58000      0.3395000     -0.2987000      0.4763000
  1 1 1      -5    2    9 o    17.06000      0.3503000       16.51000 0.4817000       17.61000      0.5087000      -1.101000      0.7006000
  1 1 1      -5    2   10 o    28.68000      0.5571000       27.82000 0.7648000       29.55000      0.8102000      -1.726000       1.114000
  1 1 1      -5    2   11 o    1.392000      0.3675000       1.484000 0.5279000       1.301000      0.5115000      0.1827000      0.7350000
  1 1 1      -5    2   12 o    5.878000      0.1762000       5.982000 0.2477000       5.774000      0.2507000      0.2077000      0.3524000
  1 1 1      -5    2   13 o    14.91000      0.2293000       14.84000 0.3230000       14.97000      0.3256000     -0.1280000      0.4586000
  1 1 1      -5    2   14 o    4.488000      0.2186000       4.454000 0.3097000       4.522000      0.3085000     -0.6814000E-01  0.4372000
  1 1 1      -5    2   15 o    10.17000      0.1916000       10.19000 0.2708000       10.15000      0.2712000      0.3953000E-01  0.3832000
  1 1 1      -5    2   16 o    5.249000      0.2147000       5.413000 0.2937000       5.086000      0.3134000      0.3271000      0.4295000
  1 1 1      -5    2   17 o    4.342000      0.2499000       4.650000 0.3352000       4.034000      0.3707000      0.6158000      0.4998000
  1 1 1      -5    2   18 o    7.760000      0.1983000       7.574000 0.2801000       7.946000      0.2809000     -0.3722000      0.3967000
  1 1 1      -5    2   19 o    8.305000      0.2073000       8.304000 0.2916000       8.306000      0.2947000     -0.1605000E-02  0.4146000
  1 1 1      -5    2   20 o    7.994000      0.2152000       8.097000 0.3040000       7.892000      0.3045000      0.2057000      0.4303000
  1 1 1      -5    2   21 o    6.899000      0.2301000       7.119000 0.3274000       6.678000      0.3235000      0.4410000      0.4602000
  1 1 1      -5    2   22 o    3.080000      0.4267000       3.621000 0.5230000       2.540000      0.6744000       1.081000      0.8535000
  1 1 1      -5    2   23 o    11.28000      0.3169000       11.61000 0.4598000       10.95000      0.4362000      0.6593000      0.6338000
  1 1 1      -5    2   24 o    10.98000      0.2299000       10.87000 0.3230000       11.09000      0.3273000     -0.2225000      0.4598000
  1 1 1      -5    2   25 o    3.292000      0.4432000       3.772000 0.5616000       2.813000      0.6858000      0.9595000      0.8865000
  1 1 1      -5    2   26 o    10.48000      0.3496000       10.37000 0.4854000       10.58000      0.5033000     -0.2092000      0.6992000
  1 1 1      -5    2   27 o    6.110000      0.2829000       5.992000 0.4226000       6.229000      0.3761000     -0.2368000      0.5657000
  1 1 1      -5    2   28 o    7.565000      0.2609000       7.492000 0.3769000       7.638000      0.3608000     -0.1461000      0.5218000
  1 1 1      -5    2   29 o    2.314000      0.5429000       2.651000 0.7824000       1.978000      0.7530000      0.6725000       1.086000
  1 1 1      -5    2   30 o    1.374000      0.4528000       1.555000 0.6957000       1.193000      0.5797000      0.3619000      0.9056000
  1 1 1      -5    2   31 o    11.01000      0.2598000       10.92000 0.3684000       11.11000      0.3664000     -0.1919000      0.5196000
  1 1 1      -5    2   32 o    7.220000      0.3038000       7.358000 0.4243000       7.082000      0.4349000      0.2763000      0.6076000
  1 1 1      -5    2   33 o    5.704000      0.3662000       5.686000 0.5253000       5.723000      0.5105000     -0.3775000E-01  0.7325000
  1 1 1      -5    2   34 o    2.826000      0.5925000       3.322000 0.8371000       2.331000      0.8387000      0.9903000       1.185000
  1 1 1      -5    2   35 o    2.264000      0.5745000       2.821000 0.8708000       1.706000      0.7497000       1.115000       1.149000
  1 1 1      -5    2   36 o    1.885000      0.5560000       1.663000 0.7507000       2.107000      0.8205000     -0.4438000       1.112000
  1 1 1      -5    2   37 o    2.424000      0.5788000       3.067000 0.8674000       1.780000      0.7667000       1.287000       1.158000
  1 1 1      -5    3    1 o    25.10000      0.3421000       25.45000 0.4904000       24.75000      0.4770000      0.7028000      0.6841000
  1 1 1      -5    3    2 o    13.89000      0.2017000       14.05000 0.2878000       13.73000      0.2825000      0.3192000      0.4033000
  1 1 1      -5    3    3 o    13.17000      0.1949000       13.39000 0.2794000       12.95000      0.2717000      0.4362000      0.3897000
  1 1 1      -5    3    4 o    5.526000      0.1429000       5.636000 0.2037000       5.417000      0.2005000      0.2184000      0.2858000
  1 1 1      -5    3    5 o    23.27000      0.4542000       22.86000 0.6306000       23.68000      0.6540000     -0.8202000      0.9085000
  1 1 1      -5    3    6 o    20.38000      0.2862000       20.16000 0.4005000       20.59000      0.4089000     -0.4331000      0.5723000
  1 1 1      -5    3    7 o    28.76000      0.3940000       28.72000 0.5565000       28.79000      0.5579000     -0.6933000E-01  0.7880000
  1 1 1      -5    3    8 o    20.14000      0.4021000       19.63000 0.5552000       20.65000      0.5818000      -1.020000      0.8042000
  1 1 1      -5    3    9 o    10.59000      0.2535000       10.30000 0.3520000       10.88000      0.3650000     -0.5757000      0.5071000
  1 1 1      -5    3   10 o    16.16000      0.2400000       16.03000 0.3351000       16.30000      0.3437000     -0.2747000      0.4800000
  1 1 1      -5    3   11 f    9.494000      0.1819000       9.256000 0.2521000       9.731000      0.2623000     -0.4758000      0.3638000
  1 1 1      -5    3   12 o    3.651000      0.2444000       4.144000 0.2866000       3.158000      0.3959000      0.9859000      0.4888000
  1 1 1      -5    3   13 o    6.159000      0.2273000       6.349000 0.2537000       5.969000      0.3771000      0.3806000      0.4545000
  1 1 1      -5    3   14 o    4.563000      0.2097000       4.543000 0.2964000       4.582000      0.2968000     -0.3888000E-01  0.4195000
  1 1 1      -5    3   15 o    2.895000      0.3197000       2.803000 0.4707000       2.986000      0.4326000     -0.1831000      0.6393000
  1 1 1      -5    3   16 o    6.364000      0.1943000       6.424000 0.2701000       6.304000      0.2794000      0.1202000      0.3886000
  1 1 1      -5    3   17 o    1.816000      0.4206000       1.588000 0.5946000       2.045000      0.5952000     -0.4570000      0.8413000
  1 1 1      -5    3   18 o    4.720000      0.2424000       4.897000 0.3341000       4.544000      0.3514000      0.3537000      0.4849000
  1 1 1      -5    3   19 o    8.780000      0.2346000       8.664000 0.2927000       8.896000      0.3666000     -0.2327000      0.4691000
  1 1 1      -5    3   20 o    5.932000      0.2275000       5.773000 0.3279000       6.091000      0.3155000     -0.3181000      0.4550000
  1 1 1      -5    3   21 o    3.659000      0.4133000       3.780000 0.6865000       3.539000      0.4604000      0.2409000      0.8266000
  1 1 1      -5    3   22 o    4.529000      0.4228000       4.087000 0.6910000       4.971000      0.4873000     -0.8837000      0.8456000
  1 1 1      -5    3   23 o    10.17000      0.3113000       10.18000 0.4523000       10.16000      0.4279000      0.1861000E-01  0.6226000
  1 1 1      -5    3   24 o    5.642000      0.2705000       5.691000 0.3838000       5.592000      0.3814000      0.9885000E-01  0.5411000
  1 1 1      -5    3   25 o    6.838000      0.3792000       7.081000 0.5111000       6.594000      0.5604000      0.4865000      0.7585000
  1 1 1      -5    3   26 o    4.203000      0.5320000       4.626000 0.6945000       3.780000      0.8062000      0.8459000       1.064000
  1 1 1      -5    3   27 o    1.707000      0.4870000       1.945000 0.7257000       1.469000      0.6496000      0.4756000      0.9740000
  1 1 1      -5    3   28 o    8.177000      0.2604000       7.741000 0.3699000       8.614000      0.3665000     -0.8726000      0.5207000
  1 1 1      -5    3   29 o    5.936000      0.2902000       5.963000 0.4131000       5.908000      0.4079000      0.5548000E-01  0.5805000
  1 1 1      -5    3   30 o    3.850000      0.4522000       3.311000 0.7171000       4.390000      0.5510000      -1.079000      0.9043000
  1 1 1      -5    3   31 o    7.267000      0.2912000       7.080000 0.4227000       7.455000      0.4006000     -0.3754000      0.5823000
  1 1 1      -5    3   32 o    6.307000      0.3378000       6.352000 0.4662000       6.262000      0.4890000      0.9009000E-01  0.6757000
  1 1 1      -5    3   33 o    6.013000      0.3429000       6.174000 0.4882000       5.852000      0.4816000      0.3220000      0.6858000
  1 1 1      -5    3   34 o    2.477000      0.5945000       2.173000 0.8492000       2.780000      0.8321000     -0.6071000       1.189000
  1 1 1      -5    3   35 o    1.982000      0.5672000       1.862000 0.7899000       2.103000      0.8142000     -0.2411000       1.134000
  1 1 1      -5    3   36 o    3.799000      0.5432000       4.143000 0.7191000       3.454000      0.8144000      0.6893000       1.086000
  1 1 1      -5    3   37 o    2.050000      0.5584000       2.591000 0.8739000       1.508000      0.6953000       1.083000       1.117000
  1 1 1      -5    4    1 o    9.543000      0.1537000       9.421000 0.2162000       9.665000      0.2185000     -0.2442000      0.3074000
  1 1 1      -5    4    2 o    13.51000      0.1981000       13.71000 0.2838000       13.30000      0.2763000      0.4091000      0.3961000
  1 1 1      -5    4    3 o    17.98000      0.3575000       17.51000 0.4931000       18.46000      0.5179000     -0.9502000      0.7151000
  1 1 1      -5    4    4 o    15.68000      0.3201000       14.97000 0.4353000       16.39000      0.4693000      -1.421000      0.6401000
  1 1 1      -5    4    5 o    15.28000      0.2241000       15.54000 0.3213000       15.01000      0.3124000      0.5310000      0.4482000
  1 1 1      -5    4    6 o    15.61000      0.2808000       15.24000 0.4535000       15.98000      0.3314000     -0.7334000      0.5616000
  1 1 1      -5    4    7 o    14.76000      0.3141000       14.66000 0.4449000       14.87000      0.4433000     -0.2100000      0.6281000
  1 1 1      -5    4    8 o    19.54000      0.3950000       19.42000 0.5573000       19.66000      0.5599000     -0.2405000      0.7900000
  1 1 1      -5    4    9 o    24.24000      0.3380000       24.78000 0.4872000       23.69000      0.4686000       1.083000      0.6760000
  1 1 1      -5    4   10 o    8.761000      0.2109000       8.472000 0.3350000       9.050000      0.2565000     -0.5776000      0.4219000
  1 1 1      -5    4   11 o    10.78000      0.1898000       11.25000 0.2690000       10.31000      0.2677000      0.9365000      0.3795000
  1 1 1      -5    4   12 o    9.104000      0.1816000       8.629000 0.2477000       9.579000      0.2658000     -0.9501000      0.3633000
  1 1 1      -5    4   13 o    14.42000      0.2278000       14.57000 0.3202000       14.26000      0.3240000      0.3023000      0.4555000
  1 1 1      -5    4   14 o    2.329000      0.3972000       2.260000 0.5389000       2.399000      0.5838000     -0.1388000      0.7945000
  1 1 1      -5    4   15 o    4.614000      0.2384000       4.669000 0.3238000       4.559000      0.3501000      0.1098000      0.4768000
  1 1 1      -5    4   16 o    2.456000      0.4047000       2.036000 0.5883000       2.877000      0.5560000     -0.8417000      0.8095000
  1 1 1      -5    4   17 o    11.29000      0.2114000       11.50000 0.2931000       11.08000      0.3046000      0.4248000      0.4228000
  1 1 1      -5    4   18 f    12.33000      0.2221000       11.98000 0.3001000       12.68000      0.3273000     -0.6985000      0.4441000
  1 1 1      -5    4   19 o    8.195000      0.2908000       8.195000 0.2908000                  ?              ?              ?              ?
  1 1 1      -5    4   20 o    7.995000      0.2204000       7.400000 0.3049000       8.591000      0.3183000      -1.190000      0.4408000
  1 1 1      -5    4   21 o    9.294000      0.4798000                  ?       ?   9.294000      0.4798000                  ?              ?
  1 1 1      -5    4   23 o    5.504000      0.2780000       5.684000 0.3789000       5.323000      0.4070000      0.3608000      0.5560000
  1 1 1      -5    4   24 o    11.88000      0.2920000       12.10000 0.3274000       11.66000      0.4836000      0.4464000      0.5840000
  1 1 1      -5    4   25 o    7.176000      0.3654000       7.730000 0.4999000       6.621000      0.5331000       1.110000      0.7309000
  1 1 1      -5    4   26 o    6.539000      0.2663000       6.608000 0.3815000       6.471000      0.3717000      0.1369000      0.5326000
  1 1 1      -5    4   27 o    5.237000      0.3040000       5.379000 0.4326000       5.095000      0.4272000      0.2840000      0.6080000
  1 1 1      -5    4   28 o    1.473000      0.4617000       1.259000 0.5991000       1.688000      0.7028000     -0.4282000      0.9234000
  1 1 1      -5    4   29 o    10.93000      0.2480000       11.07000 0.3593000       10.79000      0.3420000      0.2744000      0.4961000
  1 1 1      -5    4   30 o    6.017000      0.3053000       6.344000 0.4309000       5.690000      0.4326000      0.6540000      0.6106000
  1 1 1      -5    4   31 o    3.846000      0.4838000       3.744000 0.7287000       3.947000      0.6367000     -0.2035000      0.9676000
  1 1 1      -5    4   32 o    6.927000      0.3160000       6.986000 0.4500000       6.868000      0.4437000      0.1183000      0.6320000
  1 1 1      -5    4   33 o    1.931000      0.5618000       2.006000 0.8128000       1.856000      0.7758000      0.1504000       1.124000
  1 1 1      -5    4   34 o    2.077000      0.6290000       2.062000 0.8307000       2.091000      0.9446000     -0.2947000E-01   1.258000
  1 1 1      -5    4   35 o    3.458000      0.6864000       2.865000 0.8402000       4.050000       1.086000      -1.184000       1.373000
  1 1 1      -5    4   36 o    1.978000      0.5803000       1.683000 0.7596000       2.274000      0.8776000     -0.5916000       1.161000
  1 1 1      -5    4   37 o    1.789000      0.5481000       1.639000 0.7466000       1.939000      0.8025000     -0.3000000       1.096000
  1 1 1      -5    5    1 o    15.66000      0.3129000       15.98000 0.4500000       15.34000      0.4349000      0.6413000      0.6259000
  1 1 1      -5    5    2 o    7.257000      0.1965000       7.636000 0.2772000       6.878000      0.2787000      0.7573000      0.3931000
  1 1 1      -5    5    3 o    19.77000      0.2757000       19.92000 0.3927000       19.61000      0.3871000      0.3085000      0.5514000
  1 1 1      -5    5    4 o    16.88000      0.2412000       16.83000 0.3407000       16.93000      0.3414000     -0.1031000      0.4824000
  1 1 1      -5    5    5 o    32.85000      0.6314000       33.29000 0.9050000       32.41000      0.8806000      0.8822000       1.263000
  1 1 1      -5    5    6 o    15.39000      0.3230000       15.23000 0.4556000       15.55000      0.4580000     -0.3248000      0.6460000
  1 1 1      -5    5    7 o    11.95000      0.1925000       11.87000 0.2719000       12.02000      0.2724000     -0.1521000      0.3849000
  1 1 1      -5    5    8 o    16.69000      0.2456000       16.99000 0.3525000       16.38000      0.3420000      0.6189000      0.4912000
  1 1 1      -5    5    9 o    6.201000      0.1781000       5.988000 0.2503000       6.414000      0.2535000     -0.4267000      0.3562000
  1 1 1      -5    5   10 o    9.167000      0.1817000       9.077000 0.2559000       9.257000      0.2579000     -0.1796000      0.3633000
  1 1 1      -5    5   11 o    14.53000      0.2262000       14.38000 0.3180000       14.68000      0.3218000     -0.2994000      0.4524000
  1 1 1      -5    5   12 o    24.62000      0.3463000       24.53000 0.4883000       24.71000      0.4912000     -0.1845000      0.6926000
  1 1 1      -5    5   13 o    8.967000      0.1880000       8.933000 0.2557000       9.001000      0.2758000     -0.6803000E-01  0.3761000
  1 1 1      -5    5   14 o    9.859000      0.1936000       9.925000 0.2677000       9.794000      0.2797000      0.1309000      0.3871000
  1 1 1      -5    5   15 o    2.690000      0.3844000       2.469000 0.5496000       2.911000      0.5375000     -0.4416000      0.7688000
  1 1 1      -5    5   16 o    8.243000      0.1972000       7.996000 0.2668000       8.490000      0.2904000     -0.4939000      0.3943000
  1 1 1      -5    5   17 o    6.314000      0.2224000       6.729000 0.2792000       5.900000      0.3463000      0.8288000      0.4449000
  1 1 1      -5    5   18 o    12.60000      0.2262000       12.60000 0.3104000       12.59000      0.3291000      0.1042000E-01  0.4524000
  1 1 1      -5    5   19 o    6.292000      0.2257000       6.278000 0.3181000       6.307000      0.3203000     -0.2950000E-01  0.4514000
  1 1 1      -5    5   20 o    9.448000      0.3209000       9.525000 0.4255000       9.372000      0.4805000      0.1535000      0.6419000
  1 1 1      -5    5   22 o    2.221000      0.5157000       1.998000 0.7222000       2.445000      0.7364000     -0.4469000       1.031000
  1 1 1      -5    5   23 o    12.43000      0.2413000       12.54000 0.3355000       12.32000      0.3468000      0.2139000      0.4825000
  1 1 1      -5    5   24 o    12.58000      0.3418000       12.41000 0.4754000       12.75000      0.4911000     -0.3372000      0.6835000
  1 1 1      -5    5   25 o    10.61000      0.2463000       10.24000 0.3414000       10.98000      0.3552000     -0.7406000      0.4926000
  1 1 1      -5    5   26 o    13.61000      0.2573000       13.34000 0.3497000       13.87000      0.3775000     -0.5395000      0.5146000
  1 1 1      -5    5   27 o    10.21000      0.2514000       10.40000 0.3366000       10.01000      0.3735000      0.3949000      0.5028000
  1 1 1      -5    5   28 o    5.451000      0.3380000       5.263000 0.4660000       5.639000      0.4898000     -0.3762000      0.6760000
  1 1 1      -5    5   29 o    13.18000      0.2683000       13.59000 0.3711000       12.77000      0.3876000      0.8170000      0.5366000
  1 1 1      -5    5   30 o    4.561000      0.4511000       4.039000 0.6574000       5.083000      0.6181000      -1.044000      0.9023000
  1 1 1      -5    5   31 o    4.442000      0.4556000       4.292000 0.6212000       4.593000      0.6667000     -0.3011000      0.9113000
  1 1 1      -5    5   32 o    2.140000      0.5885000       2.417000 0.8310000       1.863000      0.8334000      0.5537000       1.177000
  1 1 1      -5    5   33 o    3.635000      0.5857000       3.972000 0.6807000       3.298000      0.9533000      0.6739000       1.171000
  1 1 1      -5    5   34 o    3.581000      0.5693000       3.668000 0.7549000       3.494000      0.8523000      0.1737000       1.139000
  1 1 1      -5    5   35 o    2.712000      0.6287000       2.279000 0.8595000       3.144000      0.9179000     -0.8651000       1.257000
  1 1 1      -5    5   36 o    2.056000      0.5538000       1.449000 0.6883000       2.663000      0.8679000      -1.214000       1.108000
  1 1 1      -5    5   37 o    3.413000      0.6850000       4.208000 0.9281000       2.617000       1.008000       1.592000       1.370000
  1 1 1      -5    6    1 o    14.22000      0.2049000       14.21000 0.2899000       14.22000      0.2896000     -0.1923000E-01  0.4098000
  1 1 1      -5    6    2 o    15.01000      0.2164000       15.10000 0.3078000       14.92000      0.3042000      0.1729000      0.4327000
  1 1 1      -5    6    4 o    19.40000      0.3873000       19.99000 0.5634000       18.81000      0.5316000       1.180000      0.7746000
  1 1 1      -5    6    5 o    14.04000      0.2108000       14.01000 0.2974000       14.08000      0.2988000     -0.7331000E-01  0.4216000
  1 1 1      -5    6    6 o    11.50000      0.1869000       11.75000 0.2682000       11.25000      0.2605000      0.4964000      0.3739000
  1 1 1      -5    6    7 o    22.96000      0.3210000       23.13000 0.4579000       22.79000      0.4499000      0.3394000      0.6419000
  1 1 1      -5    6    8 o    16.54000      0.2439000       16.40000 0.3430000       16.69000      0.3468000     -0.2825000      0.4878000
  1 1 1      -5    6    9 o    17.12000      0.2524000       16.90000 0.3525000       17.33000      0.3614000     -0.4318000      0.5049000
  1 1 1      -5    6   10 o    16.83000      0.2511000       16.78000 0.3539000       16.89000      0.3563000     -0.1021000      0.5022000
  1 1 1      -5    6   11 o    9.702000      0.1874000       9.576000 0.2634000       9.828000      0.2666000     -0.2522000      0.3748000
  1 1 1      -5    6   12 o    5.519000      0.2083000       5.908000 0.2776000       5.131000      0.3107000      0.7765000      0.4167000
  1 1 1      -5    6   13 o    15.61000      0.2432000       15.79000 0.3464000       15.44000      0.3415000      0.3445000      0.4865000
  1 1 1      -5    6   14 o    4.956000      0.2345000       4.858000 0.3371000       5.053000      0.3261000     -0.1948000      0.4690000
  1 1 1      -5    6   15 o    6.965000      0.2068000       7.224000 0.2820000       6.707000      0.3027000      0.5176000      0.4137000
  1 1 1      -5    6   16 o    3.487000      0.3104000       3.583000 0.4072000       3.392000      0.4686000      0.1906000      0.6208000
  1 1 1      -5    6   17 o    5.845000      0.2277000       6.048000 0.2929000       5.642000      0.3488000      0.4066000      0.4554000
  1 1 1      -5    6   18 o    8.299000      0.2128000       8.501000 0.2819000       8.097000      0.3188000      0.4040000      0.4255000
  1 1 1      -5    6   19 o    4.231000      0.4846000       4.948000 0.4900000       3.514000      0.8362000       1.433000      0.9692000
  1 1 1      -5    6   20 o    10.81000      0.3193000       10.24000 0.4338000       11.38000      0.4685000      -1.136000      0.6385000
  1 1 1      -5    6   21 o    14.47000      0.2513000       14.42000 0.3505000       14.52000      0.3601000     -0.9538000E-01  0.5025000
  1 1 1      -5    6   22 o    5.193000      0.3002000       5.275000 0.4042000       5.112000      0.4439000      0.1628000      0.6003000
  1 1 1      -5    6   23 o    8.593000      0.3342000       8.264000 0.4736000       8.923000      0.4717000     -0.6593000      0.6685000
  1 1 1      -5    6   24 f    7.529000      0.2577000       7.768000 0.3481000       7.289000      0.3801000      0.4794000      0.5154000
  1 1 1      -5    6   25 o    14.96000      0.2650000       14.90000 0.3656000       15.01000      0.3838000     -0.1105000      0.5300000
  1 1 1      -5    6   26 o    9.440000      0.2509000       9.470000 0.3388000       9.409000      0.3702000      0.6044000E-01  0.5019000
  1 1 1      -5    6   27 o    6.886000      0.2849000       6.813000 0.3820000       6.959000      0.4227000     -0.1460000      0.5697000
  1 1 1      -5    6   28 f    6.410000      0.3199000       6.656000 0.4092000       6.163000      0.4917000      0.4928000      0.6397000
  1 1 1      -5    6   29 o    4.003000      0.5078000       4.567000 0.5717000       3.438000      0.8394000       1.129000       1.016000
  1 1 1      -5    6   30 o    2.545000      0.5915000       2.624000 0.8155000       2.466000      0.8570000      0.1580000       1.183000
  1 1 1      -5    6   31 o    4.851000      0.4496000       4.682000 0.5869000       5.020000      0.6812000     -0.3381000      0.8992000
  1 1 1      -5    6   32 o    3.667000      0.5980000       3.811000 0.7479000       3.522000      0.9334000      0.2885000       1.196000
  1 1 1      -5    6   33 o    5.609000      0.4006000       5.157000 0.5689000       6.061000      0.5641000     -0.9046000      0.8012000
  1 1 1      -5    6   34 o    2.729000      0.6402000       2.731000 0.8874000       2.726000      0.9229000      0.5195000E-02   1.280000
  1 1 1      -5    6   35 o    1.953000      0.5570000       2.408000 0.8654000       1.499000      0.7015000      0.9082000       1.114000
  1 1 1      -5    6   36 o    3.002000      0.7309000       3.069000 1.063000       2.935000       1.003000      0.1336000       1.462000
  1 1 1      -5    7    1 o    8.260000      0.2102000       8.326000 0.3020000       8.194000      0.2925000      0.1322000      0.4204000
  1 1 1      -5    7    2 o    19.58000      0.3867000       19.33000 0.5414000       19.84000      0.5523000     -0.5078000      0.7734000
  1 1 1      -5    7    3 o    29.30000      0.3986000       29.08000 0.5600000       29.52000      0.5673000     -0.4397000      0.7972000
  1 1 1      -5    7    4 o    19.38000      0.2722000       19.51000 0.3875000       19.24000      0.3825000      0.2679000      0.5445000
  1 1 1      -5    7    5 o    25.53000      0.3517000       25.85000 0.5038000       25.21000      0.4910000      0.6458000      0.7035000
  1 1 1      -5    7    6 o    12.30000      0.1952000       12.29000 0.2763000       12.32000      0.2757000     -0.2916000E-01  0.3904000
  1 1 1      -5    7    7 o    9.890000      0.2150000       10.24000 0.3493000       9.543000      0.2508000      0.6930000      0.4300000
  1 1 1      -5    7    8 o    11.01000      0.1889000       11.00000 0.2673000       11.02000      0.2668000     -0.1915000E-01  0.3777000
  1 1 1      -5    7    9 o    11.40000      0.1947000       11.50000 0.2754000       11.30000      0.2751000      0.1975000      0.3893000
  1 1 1      -5    7   10 o    19.84000      0.2854000       19.97000 0.4059000       19.71000      0.4013000      0.2606000      0.5708000
  1 1 1      -5    7   11 o    6.069000      0.1966000       5.747000 0.2840000       6.391000      0.2720000     -0.6443000      0.3932000
  1 1 1      -5    7   12 o    7.770000      0.1909000       7.777000 0.2669000       7.764000      0.2731000      0.1360000E-01  0.3819000
  1 1 1      -5    7   13 o    13.14000      0.2193000       13.01000 0.3081000       13.28000      0.3121000     -0.2690000      0.4385000
  1 1 1      -5    7   14 f    10.00000      0.2026000       10.03000 0.2867000       9.976000      0.2863000      0.5264000E-01  0.4052000
  1 1 1      -5    7   15 o    3.547000      0.3193000       3.586000 0.4487000       3.509000      0.4543000      0.7654000E-01  0.6385000
  1 1 1      -5    7   16 o    5.488000      0.2418000       5.690000 0.3431000       5.286000      0.3408000      0.4033000      0.4836000
  1 1 1      -5    7   17 o    5.488000      0.2505000       5.624000 0.3374000       5.352000      0.3704000      0.2725000      0.5011000
  1 1 1      -5    7   18 o    7.261000      0.3161000       7.089000 0.4071000       7.432000      0.4837000     -0.3431000      0.6322000
  1 1 1      -5    7   19 o    2.364000      0.5824000       1.863000 0.7535000       2.866000      0.8882000      -1.004000       1.165000
  1 1 1      -5    7   20 o    5.637000      0.2635000       5.445000 0.3594000       5.828000      0.3855000     -0.3826000      0.5270000
  1 1 1      -5    7   21 o    4.818000      0.3885000       4.266000 0.6711000       5.371000      0.3917000      -1.105000      0.7771000
  1 1 1      -5    7   22 o    6.506000      0.3890000       6.214000 0.5522000       6.799000      0.5481000     -0.5844000      0.7780000
  1 1 1      -5    7   23 o    7.717000      0.2467000       8.386000 0.3229000       7.049000      0.3731000       1.337000      0.4934000
  1 1 1      -5    7   24 o    7.297000      0.2584000       7.537000 0.3465000       7.057000      0.3835000      0.4804000      0.5168000
  1 1 1      -5    7   25 o    4.490000      0.3892000       5.518000 0.3861000       3.461000      0.6758000       2.057000      0.7784000
  1 1 1      -5    7   26 o    4.982000      0.3492000       5.236000 0.4472000       4.728000      0.5366000      0.5078000      0.6985000
  1 1 1      -5    7   27 o    5.914000      0.3199000       5.931000 0.4275000       5.896000      0.4760000      0.3532000E-01  0.6398000
  1 1 1      -5    7   28 o    3.742000      0.4838000       4.005000 0.5844000       3.479000      0.7712000      0.5258000      0.9676000
  1 1 1      -5    7   29 o    7.235000      0.2948000       6.758000 0.4074000       7.712000      0.4262000     -0.9532000      0.5896000
  1 1 1      -5    7   30 o    9.720000      0.2799000       9.481000 0.3662000       9.958000      0.4235000     -0.4769000      0.5599000
  1 1 1      -5    7   31 o    8.464000      0.2927000       8.052000 0.4005000       8.876000      0.4270000     -0.8238000      0.5854000
  1 1 1      -5    7   32 o    3.338000      0.6101000       3.061000 0.8144000       3.614000      0.9085000     -0.5528000       1.220000
  1 1 1      -5    7   33 o    6.412000      0.3515000       6.652000 0.4469000       6.173000      0.5426000      0.4797000      0.7029000
  1 1 1      -5    7   34 o    4.823000      0.4588000       5.219000 0.5509000       4.426000      0.7338000      0.7928000      0.9176000
  1 1 1      -5    7   35 o    2.974000      0.6528000       2.411000 0.7864000       3.538000       1.042000      -1.127000       1.306000
  1 1 1      -5    7   36 o    4.024000      0.6503000       4.953000 0.7615000       3.095000       1.054000       1.858000       1.301000
  1 1 1      -5    8    1 o    34.49000      0.4651000       34.50000 0.6580000       34.49000      0.6574000      0.3551000E-02  0.9302000
  1 1 1      -5    8    2 o    20.54000      0.2849000       20.49000 0.4022000       20.60000      0.4036000     -0.1118000      0.5698000
  1 1 1      -5    8    3 o    23.85000      0.3277000       24.00000 0.4663000       23.71000      0.4606000      0.2843000      0.6554000
  1 1 1      -5    8    4 o    28.70000      0.3911000       28.81000 0.5554000       28.59000      0.5508000      0.2223000      0.7822000
  1 1 1      -5    8    5 o    24.07000      0.3328000       24.24000 0.4742000       23.89000      0.4670000      0.3469000      0.6656000
  1 1 1      -5    8    6 o    17.28000      0.2498000       17.21000 0.3522000       17.35000      0.3542000     -0.1373000      0.4995000
  1 1 1      -5    8    7 o    18.17000      0.2626000       18.21000 0.3723000       18.13000      0.3705000      0.8615000E-01  0.5253000
  1 1 1      -5    8    8 o    13.32000      0.2098000       13.51000 0.3000000       13.14000      0.2933000      0.3709000      0.4195000
  1 1 1      -5    8    9 o    5.080000      0.1983000       4.918000 0.2876000       5.243000      0.2732000     -0.3250000      0.3967000
  1 1 1      -5    8   10 o    20.74000      0.2968000       20.86000 0.4220000       20.63000      0.4174000      0.2295000      0.5935000
  1 1 1      -5    8   11 o    6.064000      0.1990000       6.322000 0.2719000       5.806000      0.2906000      0.5161000      0.3980000
  1 1 1      -5    8   12 o    6.361000      0.2015000       6.533000 0.2768000       6.189000      0.2929000      0.3447000      0.4029000
  1 1 1      -5    8   13 o    9.174000      0.1963000       9.208000 0.2763000       9.141000      0.2790000      0.6740000E-01  0.3927000
  1 1 1      -5    8   14 o    5.693000      0.2153000       5.859000 0.3002000       5.527000      0.3086000      0.3315000      0.4305000
  1 1 1      -5    8   15 o    10.12000      0.2087000       10.11000 0.2950000       10.14000      0.2953000     -0.3634000E-01  0.4174000
  1 1 1      -5    8   16 o    9.535000      0.2122000       9.941000 0.3034000       9.128000      0.2969000      0.8134000      0.4245000
  1 1 1      -5    8   17 o    4.055000      0.4297000       3.556000 0.6227000       4.554000      0.5924000     -0.9976000      0.8595000
  1 1 1      -5    8   18 o    5.905000      0.2571000       6.029000 0.3497000       5.782000      0.3768000      0.2466000      0.5141000
  1 1 1      -5    8   19 o    8.871000      0.2280000       8.767000 0.3227000       8.974000      0.3221000     -0.2071000      0.4559000
  1 1 1      -5    8   20 o    9.990000      0.4524000       9.990000 0.4524000                  ?              ?              ?              ?
  1 1 1      -5    8   21 o    12.58000      0.3414000       12.89000 0.4824000       12.27000      0.4832000      0.6121000      0.6828000
  1 1 1      -5    8   22 o    6.602000      0.3853000                  ?       ?   6.602000      0.3853000                  ?              ?
  1 1 1      -5    8   23 o    8.638000      0.2424000       8.351000 0.3306000       8.925000      0.3545000     -0.5736000      0.4847000
  1 1 1      -5    8   24 o    3.157000      0.4841000       3.623000 0.5706000       2.691000      0.7822000      0.9311000      0.9682000
  1 1 1      -5    8   25 o    5.347000      0.3338000       5.822000 0.4108000       4.872000      0.5262000      0.9500000      0.6675000
  1 1 1      -5    8   26 f    9.567000      0.2544000       9.103000 0.3382000       10.03000      0.3801000     -0.9280000      0.5088000
  1 1 1      -5    8   27 o    8.747000      0.2648000       9.111000 0.3520000       8.384000      0.3956000      0.7273000      0.5295000
  1 1 1      -5    8   28 o    4.241000      0.5197000       3.416000 0.6447000       5.065000      0.8152000      -1.649000       1.039000
  1 1 1      -5    8   29 o    6.993000      0.3134000       6.726000 0.4185000       7.260000      0.4666000     -0.5341000      0.6268000
  1 1 1      -5    8   30 o    9.625000      0.2808000       9.529000 0.3720000       9.722000      0.4206000     -0.1925000      0.5615000
  1 1 1      -5    8   31 o    2.055000      0.5939000       2.144000 0.8431000       1.966000      0.8368000      0.1779000       1.188000
  1 1 1      -5    8   32 o    2.395000      0.5793000       1.512000 0.6989000       3.278000      0.9240000      -1.766000       1.159000
  1 1 1      -5    8   33 o    3.026000      0.5709000       3.696000 0.7114000       2.356000      0.8932000       1.340000       1.142000
  1 1 1      -5    8   34 o    2.355000      0.6668000       2.555000 0.9303000       2.155000      0.9554000      0.4000000       1.334000
  1 1 1      -5    8   35 o    6.139000      0.5357000       7.039000 0.6546000       5.238000      0.8482000       1.801000       1.071000
  1 1 1      -5    8   36 o    3.078000      0.5687000       4.021000 0.7501000       2.135000      0.8550000       1.886000       1.137000
  1 1 1      -5    9    1 o    17.18000      0.2426000       17.07000 0.3419000       17.29000      0.3443000     -0.2191000      0.4852000
  1 1 1      -5    9    2 o    15.15000      0.2196000       15.27000 0.3140000       15.02000      0.3071000      0.2520000      0.4392000
  1 1 1      -5    9    3 o    11.87000      0.1842000       11.84000 0.2614000       11.91000      0.2595000     -0.6923000E-01  0.3683000
  1 1 1      -5    9    4 o    6.268000      0.1577000       6.548000 0.2228000       5.988000      0.2232000      0.5608000      0.3154000
  1 1 1      -5    9    5 o    13.93000      0.2106000       14.02000 0.2999000       13.84000      0.2957000      0.1855000      0.4212000
  1 1 1      -5    9    6 o    10.68000      0.1810000       10.58000 0.2560000       10.78000      0.2560000     -0.1993000      0.3620000
  1 1 1      -5    9    7 o    8.001000      0.1687000       7.943000 0.2400000       8.059000      0.2371000     -0.1167000      0.3374000
  1 1 1      -5    9    8 o    7.093000      0.1732000       7.103000 0.2463000       7.083000      0.2436000      0.2036000E-01  0.3465000
  1 1 1      -5    9    9 o    11.64000      0.1981000       11.76000 0.2825000       11.53000      0.2777000      0.2378000      0.3961000
  1 1 1      -5    9   10 o    12.68000      0.2093000       12.81000 0.3000000       12.54000      0.2920000      0.2763000      0.4186000
  1 1 1      -5    9   11 o    5.240000      0.2144000       5.029000 0.3133000       5.451000      0.2928000     -0.4217000      0.4288000
  1 1 1      -5    9   12 o    4.578000      0.2390000       4.531000 0.3457000       4.626000      0.3300000     -0.9415000E-01  0.4780000
  1 1 1      -5    9   13 o    3.775000      0.2909000       3.623000 0.4235000       3.926000      0.3990000     -0.3029000      0.5819000
  1 1 1      -5    9   14 o    7.276000      0.2093000       7.546000 0.2914000       7.007000      0.3005000      0.5382000      0.4186000
  1 1 1      -5    9   15 o    9.737000      0.2856000       9.368000 0.3839000       10.11000      0.4230000     -0.7379000      0.5712000
  1 1 1      -5    9   16 o    10.97000      0.2955000       11.14000 0.4045000       10.80000      0.4310000      0.3384000      0.5910000
  1 1 1      -5    9   17 o    5.595000      0.2516000       5.350000 0.3655000       5.840000      0.3459000     -0.4905000      0.5032000
  1 1 1      -5    9   18 o    6.563000      0.2443000       6.456000 0.3373000       6.670000      0.3535000     -0.2135000      0.4886000
  1 1 1      -5    9   19 f    9.029000      0.3463000       8.855000 0.5106000       9.203000      0.4678000     -0.3479000      0.6925000
  1 1 1      -5    9   20 o    5.254000      0.4408000       5.254000 0.4408000                  ?              ?              ?              ?
  1 1 1      -5    9   21 o    8.344000      0.2430000       8.552000 0.3481000       8.137000      0.3392000      0.4146000      0.4860000
  1 1 1      -5    9   22 o    2.143000      0.7571000                  ?       ?   2.143000      0.7571000                  ?              ?
  1 1 1      -5    9   23 o    5.305000      0.3114000       4.798000 0.4530000       5.812000      0.4272000      -1.014000      0.6227000
  1 1 1      -5    9   24 o    10.29000      0.2429000       9.810000 0.3346000       10.77000      0.3522000     -0.9645000      0.4857000
  1 1 1      -5    9   25 o    3.080000      0.4899000       3.761000 0.5443000       2.399000      0.8147000       1.361000      0.9798000
  1 1 1      -5    9   26 o    12.02000      0.2528000       11.89000 0.3457000       12.14000      0.3690000     -0.2476000      0.5057000
  1 1 1      -5    9   27 o    7.582000      0.2756000       7.060000 0.3846000       8.104000      0.3950000      -1.044000      0.5513000
  1 1 1      -5    9   28 o    8.809000      0.2698000       8.736000 0.3622000       8.882000      0.4000000     -0.1454000      0.5396000
  1 1 1      -5    9   29 o    4.611000      0.4453000       4.782000 0.5598000       4.440000      0.6927000      0.3414000      0.8906000
  1 1 1      -5    9   30 o    2.117000      0.5934000       1.883000 0.7687000       2.351000      0.9043000     -0.4676000       1.187000
  1 1 1      -5    9   31 o    4.369000      0.4951000       4.989000 0.5456000       3.748000      0.8263000       1.241000      0.9902000
  1 1 1      -5    9   32 f    3.488000      0.6065000       3.354000 0.8004000       3.621000      0.9115000     -0.2673000       1.213000
  1 1 1      -5    9   33 o    5.540000      0.5562000       5.347000 0.7186000       5.734000      0.8491000     -0.3872000       1.112000
  1 1 1      -5    9   34 o    3.802000      0.7046000       4.680000 0.9124000       2.925000       1.074000       1.755000       1.409000
  1 1 1      -5    9   35 o    1.999000      0.5881000       1.822000 0.8050000       2.176000      0.8577000     -0.3547000       1.176000
  1 1 1      -5   10    1 o    26.20000      0.3585000       26.35000 0.5107000       26.06000      0.5034000      0.2915000      0.7171000
  1 1 1      -5   10    2 o    12.69000      0.2354000       12.88000 0.2777000       12.50000      0.3803000      0.3846000      0.4709000
  1 1 1      -5   10    3 o    17.89000      0.2539000       18.17000 0.3649000       17.61000      0.3532000      0.5616000      0.5078000
  1 1 1      -5   10    4 o    16.09000      0.2333000       15.80000 0.3257000       16.38000      0.3342000     -0.5888000      0.4666000
  1 1 1      -5   10    5 o    4.285000      0.1921000       4.253000 0.2785000       4.318000      0.2648000     -0.6572000E-01  0.3843000
  1 1 1      -5   10    6 o    9.920000      0.1759000       9.837000 0.2496000       10.00000      0.2480000     -0.1667000      0.3519000
  1 1 1      -5   10    7 o    5.190000      0.1848000       4.892000 0.2684000       5.488000      0.2543000     -0.5958000      0.3697000
  1 1 1      -5   10    8 o    4.732000      0.1997000       4.670000 0.2820000       4.793000      0.2829000     -0.1227000      0.3994000
  1 1 1      -5   10    9 o    8.793000      0.1807000       8.899000 0.2554000       8.688000      0.2556000      0.2105000      0.3613000
  1 1 1      -5   10   10 o    13.45000      0.2158000       13.45000 0.3048000       13.45000      0.3057000     -0.1772000E-02  0.4317000
  1 1 1      -5   10   11 o    8.692000      0.1919000       8.722000 0.2735000       8.663000      0.2694000      0.5950000E-01  0.3839000
  1 1 1      -5   10   12 o    6.880000      0.1962000       6.856000 0.2823000       6.904000      0.2727000     -0.4814000E-01  0.3925000
  1 1 1      -5   10   13 o    5.906000      0.2946000       6.084000 0.3812000       5.729000      0.4492000      0.3553000      0.5892000
  1 1 1      -5   10   14 o    5.069000      0.3234000       5.324000 0.4154000       4.813000      0.4958000      0.5113000      0.6468000
  1 1 1      -5   10   15 f    5.200000      0.2541000       4.910000 0.3808000       5.489000      0.3364000     -0.5796000      0.5081000
  1 1 1      -5   10   16 o    8.238000      0.2137000       8.055000 0.2993000       8.422000      0.3052000     -0.3668000      0.4275000
  1 1 1      -5   10   17 o    2.576000      0.5270000       1.889000 0.8026000       3.263000      0.6833000      -1.374000       1.054000
  1 1 1      -5   10   18 f    8.621000      0.3379000       8.566000 0.4929000       8.676000      0.4624000     -0.1101000      0.6758000
  1 1 1      -5   10   19 o    3.117000      0.4528000       3.180000 0.6410000       3.054000      0.6398000      0.1265000      0.9056000
  1 1 1      -5   10   20 o    6.348000      0.2579000       6.348000 0.3719000       6.347000      0.3573000      0.1153000E-02  0.5157000
  1 1 1      -5   10   21 o    4.311000      0.3483000       4.142000 0.5053000       4.480000      0.4794000     -0.3378000      0.6966000
  1 1 1      -5   10   22 o    1.595000      0.4778000       1.398000 0.6306000       1.791000      0.7179000     -0.3931000      0.9556000
  1 1 1      -5   10   23 o    3.013000      0.4989000       2.127000 0.7880000       3.898000      0.6120000      -1.771000      0.9977000
  1 1 1      -5   10   24 o    7.753000      0.2641000       7.828000 0.3506000       7.678000      0.3951000      0.1496000      0.5282000
  1 1 1      -5   10   25 o    6.121000      0.3032000       5.430000 0.4317000       6.811000      0.4258000      -1.381000      0.6063000
  1 1 1      -5   10   26 o    7.511000      0.2767000       7.515000 0.3706000       7.507000      0.4109000      0.7915000E-02  0.5533000
  1 1 1      -5   10   27 o    6.931000      0.2948000       6.790000 0.3955000       7.073000      0.4373000     -0.2828000      0.5896000
  1 1 1      -5   10   28 o    2.392000      0.5721000       2.636000 0.7855000       2.149000      0.8320000      0.4868000       1.144000
  1 1 1      -5   10   29 f    5.146000      0.3925000       5.351000 0.4957000       4.942000      0.6087000      0.4089000      0.7850000
  1 1 1      -5   10   30 o    4.110000      0.5188000       4.153000 0.6462000       4.067000      0.8117000      0.8614000E-01   1.038000
  1 1 1      -5   10   31 o    3.282000      0.6086000       3.406000 0.7776000       3.158000      0.9363000      0.2478000       1.217000
  1 1 1      -5   10   32 f    2.469000      0.7122000       2.173000 0.9108000       2.764000       1.095000     -0.5912000       1.424000
  1 1 1      -5   10   33 o    3.583000      0.7454000       3.569000 0.9468000       3.597000       1.152000     -0.2823000E-01   1.491000
  1 1 1      -5   10   34 o    2.632000      0.6335000       2.666000 0.8805000       2.598000      0.9109000      0.6761000E-01   1.267000
  1 1 1      -5   10   35 f    2.851000      0.7261000       3.280000 1.073000       2.423000      0.9784000      0.8568000       1.452000
  1 1 1      -5   11    1 o    12.43000      0.1968000       12.33000 0.2822000       12.54000      0.2742000     -0.2107000      0.3935000
  1 1 1      -5   11    2 o    9.477000      0.1703000       9.498000 0.2466000       9.457000      0.2350000      0.4071000E-01  0.3406000
  1 1 1      -5   11    3 o    16.45000      0.2374000       16.36000 0.3354000       16.53000      0.3361000     -0.1765000      0.4748000
  1 1 1      -5   11    4 o    7.159000      0.1616000       6.958000 0.2332000       7.359000      0.2237000     -0.4010000      0.3232000
  1 1 1      -5   11    5 o    3.323000      0.2446000       2.907000 0.3877000       3.739000      0.2981000     -0.8318000      0.4891000
  1 1 1      -5   11    6 o    5.099000      0.1824000       5.230000 0.2610000       4.969000      0.2549000      0.2612000      0.3648000
  1 1 1      -5   11    7 f    5.761000      0.1821000       5.908000 0.2558000       5.615000      0.2591000      0.2925000      0.3641000
  1 1 1      -5   11    8 o    7.969000      0.2107000       8.097000 0.3392000       7.840000      0.2501000      0.2568000      0.4214000
  1 1 1      -5   11    9 o    6.792000      0.1841000       6.879000 0.2602000       6.706000      0.2605000      0.1733000      0.3682000
  1 1 1      -5   11   10 o    2.712000      0.3449000       3.199000 0.4142000       2.226000      0.5515000      0.9733000      0.6897000
  1 1 1      -5   11   11 o    7.882000      0.2551000       7.783000 0.3501000       7.980000      0.3711000     -0.1970000      0.5102000
  1 1 1      -5   11   12 o    8.111000      0.2672000       8.255000 0.3625000       7.966000      0.3925000      0.2893000      0.5343000
  1 1 1      -5   11   13 o    7.306000      0.2075000       7.244000 0.2943000       7.368000      0.2927000     -0.1238000      0.4150000
  1 1 1      -5   11   14 o    4.698000      0.2649000       5.112000 0.3442000       4.285000      0.4027000      0.8279000      0.5297000
  1 1 1      -5   11   15 o    2.400000      0.5451000       2.926000 0.8822000       1.874000      0.6406000       1.051000       1.090000
  1 1 1      -5   11   16 o    4.896000      0.4290000       5.332000 0.6096000       4.459000      0.6037000      0.8724000      0.8579000
  1 1 1      -5   11   17 o    7.051000      0.2399000       7.432000 0.3397000       6.669000      0.3388000      0.7626000      0.4797000
  1 1 1      -5   11   18 o    8.272000      0.2309000       8.341000 0.3222000       8.204000      0.3309000      0.1367000      0.4619000
  1 1 1      -5   11   19 f    1.713000      0.4815000       1.790000 0.6801000       1.636000      0.6817000      0.1548000      0.9629000
  1 1 1      -5   11   20 o    6.777000      0.2536000       6.692000 0.3650000       6.862000      0.3521000     -0.1700000      0.5071000
  1 1 1      -5   11   21 o    4.793000      0.3342000       5.141000 0.4365000       4.446000      0.5060000      0.6948000      0.6683000
  1 1 1      -5   11   22 o    2.920000      0.4991000       2.168000 0.7594000       3.672000      0.6479000      -1.505000      0.9982000
  1 1 1      -5   11   23 o    7.669000      0.2750000       7.258000 0.3886000       8.080000      0.3891000     -0.8223000      0.5499000
  1 1 1      -5   11   24 o    5.494000      0.3328000       5.488000 0.4630000       5.500000      0.4782000     -0.1270000E-01  0.6656000
  1 1 1      -5   11   25 o    9.470000      0.2639000       9.238000 0.3726000       9.701000      0.3738000     -0.4640000      0.5278000
  1 1 1      -5   11   26 o    4.772000      0.3785000       4.770000 0.4711000       4.773000      0.5926000     -0.3475000E-02  0.7570000
  1 1 1      -5   11   27 o    2.474000      0.5787000       2.776000 0.7829000       2.172000      0.8523000      0.6031000       1.157000
  1 1 1      -5   11   28 o    4.616000      0.4416000       4.765000 0.5469000       4.466000      0.6935000      0.2993000      0.8831000
  1 1 1      -5   11   29 o    3.319000      0.5623000       3.793000 0.7030000       2.846000      0.8778000      0.9464000       1.125000
  1 1 1      -5   11   30 o    9.728000      0.2926000       9.878000 0.3780000       9.579000      0.4468000      0.2988000      0.5853000
  1 1 1      -5   11   31 o    5.072000      0.6083000       5.221000 0.6812000       4.923000       1.008000      0.2976000       1.217000
  1 1 1      -5   11   32 o    1.762000      0.5380000       2.003000 0.7954000       1.522000      0.7245000      0.4818000       1.076000
  1 1 1      -5   11   33 o    1.594000      0.5128000       1.830000 0.7803000       1.358000      0.6654000      0.4716000       1.026000
  1 1 1      -5   11   34 o    2.188000      0.6782000       2.375000 1.017000       2.001000      0.8979000      0.3743000       1.356000
  1 1 1      -5   12    1 o    4.796000      0.2072000       4.470000 0.3241000       5.121000      0.2584000     -0.6509000      0.4145000
  1 1 1      -5   12    2 o    11.54000      0.1936000       11.82000 0.2823000       11.26000      0.2650000      0.5573000      0.3872000
  1 1 1      -5   12    3 o    6.923000      0.1676000       7.086000 0.2452000       6.759000      0.2286000      0.3269000      0.3352000
  1 1 1      -5   12    4 o    6.813000      0.1693000       6.824000 0.2448000       6.801000      0.2341000      0.2268000E-01  0.3387000
  1 1 1      -5   12    5 o    3.367000      0.2554000       2.895000 0.4217000       3.840000      0.2884000     -0.9451000      0.5109000
  1 1 1      -5   12    6 o    7.050000      0.1713000       7.264000 0.2455000       6.837000      0.2389000      0.4264000      0.3426000
  1 1 1      -5   12    7 o    6.070000      0.1810000       6.107000 0.2598000       6.033000      0.2519000      0.7389000E-01  0.3619000
  1 1 1      -5   12    8 f    8.284000      0.1798000       8.297000 0.2573000       8.271000      0.2512000      0.2604000E-01  0.3596000
  1 1 1      -5   12    9 o    6.463000      0.2462000       6.483000 0.3423000       6.443000      0.3539000      0.3931000E-01  0.4923000
  1 1 1      -5   12   10 o    6.029000      0.2724000       6.249000 0.3669000       5.809000      0.4028000      0.4394000      0.5449000
  1 1 1      -5   12   11 o    3.418000      0.2995000       3.173000 0.4503000       3.663000      0.3949000     -0.4895000      0.5989000
  1 1 1      -5   12   12 o    9.209000      0.1986000       9.104000 0.2803000       9.314000      0.2814000     -0.2095000      0.3972000
  1 1 1      -5   12   13 o    8.924000      0.2605000       9.568000 0.4454000       8.279000      0.2702000       1.289000      0.5210000
  1 1 1      -5   12   14 o    7.999000      0.3085000       8.149000 0.4684000       7.848000      0.4018000      0.3014000      0.6171000
  1 1 1      -5   12   15 o    8.419000      0.2213000       8.320000 0.3156000       8.519000      0.3102000     -0.1984000      0.4425000
  1 1 1      -5   12   16 o    5.898000      0.2471000       5.808000 0.3574000       5.988000      0.3415000     -0.1799000      0.4943000
  1 1 1      -5   12   17 o    7.083000      0.2353000       7.374000 0.3292000       6.792000      0.3363000      0.5826000      0.4706000
  1 1 1      -5   12   18 o    3.185000      0.4107000       2.796000 0.6368000       3.574000      0.5189000     -0.7781000      0.8215000
  1 1 1      -5   12   19 o    3.187000      0.4348000       3.236000 0.5705000       3.138000      0.6563000      0.9755000E-01  0.8696000
  1 1 1      -5   12   20 o    5.606000      0.2938000       5.723000 0.4110000       5.489000      0.4200000      0.2340000      0.5876000
  1 1 1      -5   12   21 o    4.522000      0.3582000       4.682000 0.4886000       4.362000      0.5240000      0.3194000      0.7164000
  1 1 1      -5   12   22 o    7.796000      0.2635000       8.214000 0.3571000       7.379000      0.3875000      0.8350000      0.5269000
  1 1 1      -5   12   23 f    3.252000      0.5073000       2.750000 0.7779000       3.753000      0.6514000      -1.003000       1.015000
  1 1 1      -5   12   24 f    8.205000      0.2705000       8.225000 0.3890000       8.184000      0.3760000      0.4055000E-01  0.5410000
  1 1 1      -5   12   25 f    8.184000      0.2796000       8.215000 0.3911000       8.153000      0.3996000      0.6154000E-01  0.5592000
  1 1 1      -5   12   26 o    7.028000      0.3069000       6.641000 0.4476000       7.414000      0.4199000     -0.7725000      0.6137000
  1 1 1      -5   12   27 o    6.143000      0.3459000       6.515000 0.4642000       5.770000      0.5130000      0.7442000      0.6919000
  1 1 1      -5   12   28 o    1.570000      0.5013000       1.592000 0.6968000       1.547000      0.7208000      0.4527000E-01   1.003000
  1 1 1      -5   12   29 o    4.985000      0.4230000       5.088000 0.5009000       4.882000      0.6817000      0.2060000      0.8459000
  1 1 1      -5   12   30 o    5.415000      0.5446000       4.817000 0.7320000       6.014000      0.8064000      -1.198000       1.089000
  1 1 1      -5   12   31 o    4.655000      0.4736000       4.021000 0.6896000       5.290000      0.6492000      -1.269000      0.9471000
  1 1 1      -5   12   32 f    2.069000      0.5785000       1.689000 0.7492000       2.450000      0.8818000     -0.7603000       1.157000
  1 1 1      -5   12   33 o    2.311000      0.6848000       2.065000 0.9162000       2.556000       1.018000     -0.4914000       1.370000
  1 1 1      -5   12   34 o    2.811000      0.6062000       2.059000 0.8572000       3.563000      0.8574000      -1.504000       1.212000
  1 1 1      -5   13    1 o    4.983000      0.2224000       4.817000 0.3384000       5.149000      0.2888000     -0.3325000      0.4449000
  1 1 1      -5   13    2 o    7.283000      0.1845000       7.073000 0.2720000       7.492000      0.2492000     -0.4194000      0.3689000
  1 1 1      -5   13    3 o    8.722000      0.1806000       8.837000 0.2611000       8.606000      0.2496000      0.2312000      0.3612000
  1 1 1      -5   13    4 o    1.584000      0.4068000       1.682000 0.5966000       1.485000      0.5531000      0.1977000      0.8135000
  1 1 1      -5   13    5 o    3.140000      0.2874000       3.266000 0.4022000       3.014000      0.4106000      0.2518000      0.5748000
  1 1 1      -5   13    6 o    2.441000      0.4662000       2.994000 0.6181000       1.888000      0.6980000       1.106000      0.9323000
  1 1 1      -5   13    7 o    7.043000      0.2513000       7.096000 0.3472000       6.990000      0.3633000      0.1066000      0.5025000
  1 1 1      -5   13    8 o    5.142000      0.2804000       4.744000 0.3990000       5.541000      0.3942000     -0.7977000      0.5609000
  1 1 1      -5   13    9 o    4.443000      0.2372000       4.771000 0.3311000       4.115000      0.3398000      0.6557000      0.4744000
  1 1 1      -5   13   10 o    8.602000      0.1910000       8.584000 0.2751000       8.620000      0.2650000     -0.3633000E-01  0.3820000
  1 1 1      -5   13   11 o    1.465000      0.4569000       1.230000 0.5982000       1.700000      0.6909000     -0.4703000      0.9139000
  1 1 1      -5   13   12 o    5.836000      0.3372000       5.778000 0.5101000       5.895000      0.4410000     -0.1161000      0.6743000
  1 1 1      -5   13   13 o    6.100000      0.2315000       5.892000 0.3356000       6.308000      0.3189000     -0.4153000      0.4629000
  1 1 1      -5   13   14 o    14.65000      0.2401000       14.72000 0.3427000       14.58000      0.3363000      0.1419000      0.4801000
  1 1 1      -5   13   15 o    10.44000      0.2152000       10.31000 0.3045000       10.57000      0.3041000     -0.2604000      0.4304000
  1 1 1      -5   13   16 o    6.588000      0.2348000       6.894000 0.3269000       6.283000      0.3371000      0.6105000      0.4696000
  1 1 1      -5   13   17 f    1.480000      0.4514000       1.573000 0.6606000       1.386000      0.6153000      0.1876000      0.9028000
  1 1 1      -5   13   18 o    3.765000      0.3746000       3.608000 0.5368000       3.922000      0.5225000     -0.3139000      0.7491000
  1 1 1      -5   13   19 o    7.683000      0.2446000       7.437000 0.3532000       7.929000      0.3386000     -0.4916000      0.4893000
  1 1 1      -5   13   20 o    4.603000      0.3353000       4.514000 0.4690000       4.692000      0.4793000     -0.1785000      0.6706000
  1 1 1      -5   13   21 o    7.256000      0.3810000       7.256000 0.3810000                  ?              ?              ?              ?
  1 1 1      -5   13   22 o    7.932000      0.2851000       7.473000 0.4362000       8.390000      0.3671000     -0.9167000      0.5701000
  1 1 1      -5   13   23 o    4.696000      0.5432000                  ?       ?   4.696000      0.5432000                  ?              ?
  1 1 1      -5   13   24 o    3.819000      0.4730000       3.666000 0.6873000       3.971000      0.6501000     -0.3055000      0.9460000
  1 1 1      -5   13   25 o    3.453000      0.5114000       3.766000 0.6595000       3.140000      0.7819000      0.6260000       1.023000
  1 1 1      -5   13   26 o    8.320000      0.2878000       8.222000 0.4126000       8.419000      0.4012000     -0.1969000      0.5755000
  1 1 1      -5   13   27 o    4.446000      0.4916000       4.732000 0.6261000       4.160000      0.7580000      0.5713000      0.9831000
  1 1 1      -5   13   28 o    5.473000      0.5497000       6.147000 0.5912000       4.799000      0.9268000       1.348000       1.099000
  1 1 1      -5   13   29 o    3.545000      0.7175000       3.492000 0.9161000       3.597000       1.104000     -0.1052000       1.435000
  1 1 1      -5   13   30 o    5.060000      0.4332000       4.875000 0.5721000       5.244000      0.6505000     -0.3687000      0.8663000
  1 1 1      -5   13   31 o    1.738000      0.5169000       1.919000 0.7455000       1.557000      0.7163000      0.3618000       1.034000
  1 1 1      -5   13   32 o    3.642000      0.7297000       3.857000 1.018000       3.427000       1.046000      0.4297000       1.459000
  1 1 1      -5   13   33 o    2.839000      0.6320000       3.074000 0.8716000       2.604000      0.9155000      0.4697000       1.264000
  1 1 1      -5   14    1 o    4.164000      0.2729000       4.059000 0.4143000       4.269000      0.3554000     -0.2104000      0.5459000
  1 1 1      -5   14    2 o    5.171000      0.2307000       5.331000 0.3359000       5.011000      0.3162000      0.3202000      0.4613000
  1 1 1      -5   14    3 o    3.918000      0.5128000       3.268000 0.8554000       4.567000      0.5659000      -1.299000       1.026000
  1 1 1      -5   14    4 o    3.747000      0.5083000       3.673000 0.7696000       3.822000      0.6642000     -0.1488000       1.017000
  1 1 1      -5   14    5 o    2.245000      0.5260000       1.858000 0.7465000       2.631000      0.7412000     -0.7729000       1.052000
  1 1 1      -5   14    6 o    1.881000      0.4126000       1.812000 0.5875000       1.949000      0.5795000     -0.1365000      0.8252000
  1 1 1      -5   14    7 o    3.670000      0.2673000       3.815000 0.3608000       3.526000      0.3943000      0.2891000      0.5345000
  1 1 1      -5   14    8 o    7.181000      0.1897000       7.241000 0.2693000       7.120000      0.2673000      0.1214000      0.3794000
  1 1 1      -5   14    9 o    4.903000      0.3483000       4.488000 0.5589000       5.319000      0.4158000     -0.8310000      0.6966000
  1 1 1      -5   14   10 o    10.03000      0.2876000       10.11000 0.4277000       9.956000      0.3846000      0.1547000      0.5752000
  1 1 1      -5   14   11 o    5.713000      0.2197000       5.462000 0.3256000       5.964000      0.2951000     -0.5020000      0.4395000
  1 1 1      -5   14   12 o    12.27000      0.2156000       12.33000 0.3092000       12.21000      0.3004000      0.1188000      0.4311000
  1 1 1      -5   14   13 o    8.441000      0.2100000       8.610000 0.2972000       8.273000      0.2969000      0.3378000      0.4201000
  1 1 1      -5   14   14 o    10.64000      0.2141000       10.44000 0.3048000       10.84000      0.3008000     -0.3984000      0.4283000
  1 1 1      -5   14   15 o    1.995000      0.4796000       2.240000 0.6834000       1.749000      0.6729000      0.4911000      0.9591000
  1 1 1      -5   14   16 o    1.587000      0.4520000       1.844000 0.6778000       1.331000      0.5981000      0.5121000      0.9040000
  1 1 1      -5   14   17 o    6.178000      0.2507000       6.061000 0.3585000       6.295000      0.3504000     -0.2342000      0.5013000
  1 1 1      -5   14   18 o    2.816000      0.4732000       2.627000 0.6962000       3.006000      0.6412000     -0.3786000      0.9465000
  1 1 1      -5   14   19 o    2.793000      0.4797000       3.204000 0.6122000       2.383000      0.7386000      0.8211000      0.9594000
  1 1 1      -5   14   20 o    5.181000      0.3005000       5.121000 0.4100000       5.240000      0.4393000     -0.1194000      0.6009000
  1 1 1      -5   14   21 o    1.404000      0.6401000       1.404000 0.6401000                  ?              ?              ?              ?
  1 1 1      -5   14   22 o    2.901000      0.5384000       3.218000 0.7214000       2.584000      0.7993000      0.6339000       1.077000
  1 1 1      -5   14   23 o    7.662000      0.3893000                  ?       ?   7.662000      0.3893000                  ?              ?
  1 1 1      -5   14   24 o    4.861000      0.3779000       4.866000 0.5469000       4.855000      0.5216000      0.1059000E-01  0.7558000
  1 1 1      -5   14   25 o    6.769000      0.3116000       6.416000 0.4544000       7.122000      0.4267000     -0.7060000      0.6233000
  1 1 1      -5   14   26 o    2.704000      0.5774000       2.089000 0.8286000       3.319000      0.8044000      -1.230000       1.155000
  1 1 1      -5   14   27 o    2.538000      0.6863000       2.142000 0.8917000       2.935000       1.044000     -0.7931000       1.373000
  1 1 1      -5   14   28 o    2.314000      0.6345000       2.460000 0.9055000       2.167000      0.8889000      0.2928000       1.269000
  1 1 1      -5   14   29 o    2.500000      0.6449000       2.477000 0.8998000       2.524000      0.9241000     -0.4622000E-01   1.290000
  1 1 1      -5   14   30 o    3.368000      0.8227000       3.153000 1.218000       3.582000       1.106000     -0.4281000       1.645000
  1 1 1      -5   14   31 o    4.224000      0.7060000       3.595000 1.115000       4.853000      0.8665000      -1.258000       1.412000
  1 1 1      -5   14   32 o    4.277000      0.5163000       4.507000 0.6271000       4.047000      0.8204000      0.4594000       1.033000
  1 1 1      -5   14   33 o    3.217000      0.6116000       3.535000 0.8259000       2.898000      0.9023000      0.6362000       1.223000
  1 1 1      -5   15    1 o    9.375000      0.4964000       9.109000 0.8354000       9.640000      0.5364000     -0.5302000      0.9927000
  1 1 1      -5   15    2 o    10.26000      0.2181000       9.938000 0.3173000       10.58000      0.2993000     -0.6400000      0.4362000
  1 1 1      -5   15    3 o    6.803000      0.2075000       6.679000 0.3141000       6.927000      0.2711000     -0.2488000      0.4149000
  1 1 1      -5   15    4 o    6.391000      0.2079000       6.197000 0.3129000       6.586000      0.2737000     -0.3884000      0.4157000
  1 1 1      -5   15    5 o    1.977000      0.4082000       2.509000 0.5807000       1.446000      0.5738000       1.063000      0.8164000
  1 1 1      -5   15    6 o    4.863000      0.3117000       4.565000 0.4910000       5.162000      0.3843000     -0.5966000      0.6235000
  1 1 1      -5   15    7 o    8.781000      0.2637000       9.286000 0.3904000       8.276000      0.3547000       1.010000      0.5275000
  1 1 1      -5   15    8 o    7.155000      0.2068000       7.088000 0.3040000       7.223000      0.2805000     -0.1347000      0.4137000
  1 1 1      -5   15    9 o    2.445000      0.4312000       2.711000 0.6042000       2.179000      0.6152000      0.5323000      0.8623000
  1 1 1      -5   15   10 o    8.194000      0.2011000       8.238000 0.2914000       8.151000      0.2774000      0.8685000E-01  0.4023000
  1 1 1      -5   15   11 o    2.787000      0.4003000       2.353000 0.6434000       3.221000      0.4765000     -0.8673000      0.8006000
  1 1 1      -5   15   12 o    12.49000      0.2182000       12.45000 0.3106000       12.54000      0.3065000     -0.9487000E-01  0.4363000
  1 1 1      -5   15   13 o    8.788000      0.2082000       8.846000 0.2998000       8.731000      0.2890000      0.1152000      0.4164000
  1 1 1      -5   15   14 o    4.407000      0.3005000       4.698000 0.4044000       4.116000      0.4447000      0.5820000      0.6011000
  1 1 1      -5   15   15 o    1.632000      0.4601000       1.747000 0.6643000       1.517000      0.6366000      0.2299000      0.9201000
  1 1 1      -5   15   16 o    3.957000      0.3410000       4.093000 0.4682000       3.822000      0.4958000      0.2703000      0.6820000
  1 1 1      -5   15   17 o    1.914000      0.4969000       2.089000 0.7176000       1.740000      0.6876000      0.3494000      0.9939000
  1 1 1      -5   15   18 o    5.375000      0.2902000       5.470000 0.4111000       5.279000      0.4097000      0.1903000      0.5804000
  1 1 1      -5   15   19 o    3.036000      0.4763000       3.337000 0.6291000       2.736000      0.7154000      0.6012000      0.9527000
  1 1 1      -5   15   20 o    2.800000      0.5098000       3.031000 0.6658000       2.570000      0.7723000      0.4605000       1.020000
  1 1 1      -5   15   21 o    3.079000      0.5140000       3.380000 0.6671000       2.778000      0.7822000      0.6021000       1.028000
  1 1 1      -5   15   22 o    5.687000      0.3220000       5.523000 0.4581000       5.851000      0.4525000     -0.3282000      0.6439000
  1 1 1      -5   15   23 o    15.07000      0.2734000       14.65000 0.3860000       15.50000      0.3873000     -0.8514000      0.5468000
  1 1 1      -5   15   24 o    7.484000      0.2932000       7.580000 0.4246000       7.388000      0.4044000      0.1921000      0.5864000
  1 1 1      -5   15   25 o    3.345000      0.6530000       2.814000 0.9171000       3.876000      0.9300000      -1.062000       1.306000
  1 1 1      -5   15   26 o    3.056000      0.6299000       2.043000 0.8603000       4.069000      0.9202000      -2.027000       1.260000
  1 1 1      -5   15   27 o    3.868000      0.5460000       3.747000 0.7764000       3.989000      0.7680000     -0.2429000       1.092000
  1 1 1      -5   15   28 o    2.963000      0.7314000       2.931000 1.202000       2.995000      0.8337000     -0.6412000E-01   1.463000
  1 1 1      -5   15   29 o    2.934000      0.7953000       2.528000 1.134000       3.340000       1.116000     -0.8118000       1.591000
  1 1 1      -5   15   30 o    2.755000      0.6487000       2.601000 0.9081000       2.909000      0.9264000     -0.3089000       1.297000
  1 1 1      -5   15   31 o    4.899000      0.4801000       4.748000 0.6585000       5.050000      0.6988000     -0.3017000      0.9602000
  1 1 1      -5   15   32 o    2.961000      0.5929000       3.806000 0.8099000       2.116000      0.8660000       1.689000       1.186000
  1 1 1      -5   16    1 o    3.787000      0.3511000       4.123000 0.4671000       3.451000      0.5244000      0.6720000      0.7023000
  1 1 1      -5   16    2 o    6.062000      0.2799000       6.102000 0.4007000       6.022000      0.3908000      0.8019000E-01  0.5597000
  1 1 1      -5   16    3 o    11.63000      0.2807000       11.30000 0.3969000       11.95000      0.3971000     -0.6493000      0.5615000
  1 1 1      -5   16    4 o    8.629000      0.2566000       8.310000 0.3730000       8.948000      0.3524000     -0.6377000      0.5132000
  1 1 1      -5   16    5 o    6.428000      0.2289000       6.116000 0.3548000       6.740000      0.2893000     -0.6240000      0.4578000
  1 1 1      -5   16    6 o    7.646000      0.2064000       7.966000 0.3005000       7.327000      0.2830000      0.6388000      0.4128000
  1 1 1      -5   16    7 o    4.974000      0.2506000       4.917000 0.3823000       5.031000      0.3241000     -0.1137000      0.5012000
  1 1 1      -5   16    8 o    2.494000      0.4210000       2.723000 0.5896000       2.265000      0.6010000      0.4580000      0.8419000
  1 1 1      -5   16    9 f    5.798000      0.2256000       5.543000 0.3422000       6.052000      0.2942000     -0.5094000      0.4512000
  1 1 1      -5   16   10 o    6.958000      0.2146000       6.919000 0.3136000       6.997000      0.2930000     -0.7807000E-01  0.4291000
  1 1 1      -5   16   11 o    3.628000      0.3450000       3.657000 0.5020000       3.599000      0.4734000      0.5827000E-01  0.6900000
  1 1 1      -5   16   12 o    4.936000      0.2597000       4.951000 0.3784000       4.920000      0.3558000      0.3072000E-01  0.5194000
  1 1 1      -5   16   13 o    11.25000      0.2173000       11.45000 0.3137000       11.05000      0.3007000      0.4056000      0.4345000
  1 1 1      -5   16   14 o    6.139000      0.2379000       6.094000 0.3430000       6.185000      0.3298000     -0.9138000E-01  0.4758000
  1 1 1      -5   16   15 o    4.883000      0.2841000       4.626000 0.4169000       5.140000      0.3862000     -0.5148000      0.5683000
  1 1 1      -5   16   16 o    4.107000      0.3469000       3.604000 0.5368000       4.610000      0.4396000      -1.006000      0.6938000
  1 1 1      -5   16   17 o    8.445000      0.2327000       8.425000 0.3352000       8.465000      0.3227000     -0.3992000E-01  0.4653000
  1 1 1      -5   16   18 o    4.410000      0.3455000       3.994000 0.5151000       4.826000      0.4607000     -0.8327000      0.6910000
  1 1 1      -5   16   19 o    3.807000      0.4005000       4.167000 0.5012000       3.446000      0.6248000      0.7218000      0.8010000
  1 1 1      -5   16   20 o    3.548000      0.4523000       3.662000 0.6168000       3.433000      0.6617000      0.2298000      0.9046000
  1 1 1      -5   16   21 o    4.236000      0.3783000       4.244000 0.5202000       4.227000      0.5496000      0.1735000E-01  0.7567000
  1 1 1      -5   16   22 o    3.270000      0.4937000       3.562000 0.6341000       2.977000      0.7569000      0.5845000      0.9874000
  1 1 1      -5   16   23 o    2.711000      0.6386000       2.609000 0.8354000       2.814000      0.9660000     -0.2047000       1.277000
  1 1 1      -5   16   24 o    1.830000      0.5800000       1.936000 0.8350000       1.724000      0.8050000      0.2121000       1.160000
  1 1 1      -5   16   25 o    7.665000      0.3159000       8.034000 0.4321000       7.297000      0.4610000      0.7373000      0.6318000
  1 1 1      -5   16   26 o    6.180000      0.3786000       5.957000 0.5418000       6.403000      0.5289000     -0.4459000      0.7571000
  1 1 1      -5   16   27 o    2.509000      0.7486000       2.165000 1.020000       2.854000       1.096000     -0.6890000       1.497000
  1 1 1      -5   16   28 o    2.872000      0.6222000       2.375000 0.8970000       3.369000      0.8625000     -0.9941000       1.244000
  1 1 1      -5   16   29 o    6.650000      0.3612000       6.764000 0.5013000       6.535000      0.5203000      0.2288000      0.7225000
  1 1 1      -5   16   30 o    2.247000      0.6205000       2.203000 0.8739000       2.291000      0.8812000     -0.8798000E-01   1.241000
  1 1 1      -5   16   31 o    3.495000      0.6248000       3.078000 0.9109000       3.913000      0.8555000     -0.8360000       1.250000
  1 1 1      -5   17    1 o    8.238000      0.2444000       8.250000 0.3572000       8.227000      0.3337000      0.2279000E-01  0.4889000
  1 1 1      -5   17    2 o    3.593000      0.4318000       3.441000 0.6645000       3.744000      0.5518000     -0.3022000      0.8637000
  1 1 1      -5   17    3 o    3.987000      0.3891000       4.390000 0.5444000       3.584000      0.5562000      0.8066000      0.7783000
  1 1 1      -5   17    4 o    5.877000      0.2550000       5.846000 0.3899000       5.908000      0.3286000     -0.6265000E-01  0.5100000
  1 1 1      -5   17    5 o    6.245000      0.2355000       5.940000 0.3697000       6.551000      0.2919000     -0.6112000      0.4711000
  1 1 1      -5   17    6 o    9.325000      0.2096000       9.115000 0.3076000       9.534000      0.2849000     -0.4191000      0.4192000
  1 1 1      -5   17    7 o    3.758000      0.3602000       3.713000 0.5676000       3.802000      0.4437000     -0.8911000E-01  0.7205000
  1 1 1      -5   17    8 o    6.855000      0.2169000       6.964000 0.3230000       6.746000      0.2895000      0.2177000      0.4337000
  1 1 1      -5   17    9 o    6.141000      0.2331000       5.844000 0.3524000       6.438000      0.3053000     -0.5935000      0.4663000
  1 1 1      -5   17   10 o    2.935000      0.4077000       2.845000 0.6224000       3.026000      0.5267000     -0.1807000      0.8153000
  1 1 1      -5   17   11 o    9.258000      0.2127000       8.941000 0.3098000       9.575000      0.2916000     -0.6337000      0.4254000
  1 1 1      -5   17   12 o    6.761000      0.2301000       6.648000 0.3421000       6.875000      0.3078000     -0.2273000      0.4602000
  1 1 1      -5   17   13 o    8.255000      0.2224000       8.092000 0.3242000       8.418000      0.3046000     -0.3260000      0.4448000
  1 1 1      -5   17   14 o    7.827000      0.2263000       7.788000 0.3335000       7.866000      0.3061000     -0.7854000E-01  0.4527000
  1 1 1      -5   17   15 o    1.754000      0.4933000       1.187000 0.5592000       2.321000      0.8128000      -1.133000      0.9865000
  1 1 1      -5   17   16 o    4.922000      0.2940000       4.725000 0.4323000       5.118000      0.3986000     -0.3937000      0.5881000
  1 1 1      -5   17   17 o    5.336000      0.2897000       5.637000 0.4028000       5.035000      0.4164000      0.6011000      0.5794000
  1 1 1      -5   17   18 o    5.832000      0.2891000       5.684000 0.4160000       5.979000      0.4015000     -0.2958000      0.5781000
  1 1 1      -5   17   19 o    2.577000      0.5392000       2.246000 0.7663000       2.908000      0.7587000     -0.6623000       1.078000
  1 1 1      -5   17   20 o    4.639000      0.3666000       4.386000 0.5327000       4.892000      0.5038000     -0.5057000      0.7332000
  1 1 1      -5   17   21 o    2.654000      0.6226000       2.531000 0.8183000       2.776000      0.9387000     -0.2457000       1.245000
  1 1 1      -5   17   22 o    5.522000      0.4541000       6.264000 0.4751000       4.781000      0.7739000       1.483000      0.9082000
  1 1 1      -5   17   23 o    7.835000      0.2806000       7.975000 0.3963000       7.696000      0.3974000      0.2790000      0.5612000
  1 1 1      -5   17   24 o    7.740000      0.3127000       7.049000 0.4740000       8.430000      0.4080000      -1.381000      0.6254000
  1 1 1      -5   17   25 o    6.381000      0.6333000       6.180000 1.078000       6.582000      0.6650000     -0.4022000       1.267000
  1 1 1      -5   17   26 o    2.869000      0.7769000       3.709000 1.268000       2.030000      0.8984000       1.679000       1.554000
  1 1 1      -5   17   27 o    2.255000      0.6154000       2.574000 0.9097000       1.936000      0.8292000      0.6381000       1.231000
  1 1 1      -5   17   28 o    5.473000      0.4357000       5.653000 0.6028000       5.292000      0.6294000      0.3605000      0.8715000
  1 1 1      -5   17   29 o    3.660000      0.6257000       2.944000 0.9501000       4.376000      0.8143000      -1.432000       1.251000
  1 1 1      -5   17   30 o    2.427000      0.6432000       2.259000 0.8861000       2.595000      0.9325000     -0.3366000       1.286000
  1 1 1      -5   17   31 o    2.749000      0.6448000       2.566000 0.9126000       2.932000      0.9110000     -0.3659000       1.290000
  1 1 1      -5   18    1 o    7.932000      0.2648000       7.862000 0.3891000       8.001000      0.3593000     -0.1390000      0.5296000
  1 1 1      -5   18    2 o    4.088000      0.3675000       3.687000 0.5848000       4.489000      0.4453000     -0.8025000      0.7350000
  1 1 1      -5   18    3 o    5.505000      0.3131000       5.659000 0.4624000       5.351000      0.4223000      0.3074000      0.6262000
  1 1 1      -5   18    4 f    7.032000      0.2621000       6.527000 0.4100000       7.536000      0.3267000      -1.008000      0.5243000
  1 1 1      -5   18    5 o    8.486000      0.2259000       8.653000 0.3408000       8.320000      0.2965000      0.3331000      0.4517000
  1 1 1      -5   18    6 o    6.193000      0.2391000       6.019000 0.3674000       6.367000      0.3061000     -0.3484000      0.4782000
  1 1 1      -5   18    7 o    3.344000      0.4035000       3.648000 0.5951000       3.039000      0.5451000      0.6088000      0.8070000
  1 1 1      -5   18    8 o    7.111000      0.2391000       7.488000 0.3521000       6.734000      0.3235000      0.7542000      0.4781000
  1 1 1      -5   18    9 o    5.709000      0.2505000       5.870000 0.3647000       5.548000      0.3435000      0.3224000      0.5009000
  1 1 1      -5   18   10 o    2.156000      0.4882000       2.241000 0.7080000       2.071000      0.6725000      0.1700000      0.9765000
  1 1 1      -5   18   11 o    1.788000      0.4821000       1.867000 0.7088000       1.710000      0.6538000      0.1575000      0.9643000
  1 1 1      -5   18   12 o    4.354000      0.3204000       4.085000 0.4742000       4.622000      0.4309000     -0.5368000      0.6407000
  1 1 1      -5   18   13 o    2.616000      0.4815000       2.876000 0.6769000       2.355000      0.6848000      0.5215000      0.9629000
  1 1 1      -5   18   14 o    9.762000      0.2253000       9.781000 0.3275000       9.742000      0.3094000      0.3939000E-01  0.4505000
  1 1 1      -5   18   15 o    3.220000      0.4437000       3.191000 0.6304000       3.249000      0.6245000     -0.5755000E-01  0.8874000
  1 1 1      -5   18   16 o    3.662000      0.4154000       3.102000 0.6572000       4.222000      0.5084000      -1.120000      0.8309000
  1 1 1      -5   18   17 o    2.573000      0.5224000       2.727000 0.7488000       2.419000      0.7287000      0.3090000       1.045000
  1 1 1      -5   18   18 f    5.886000      0.2903000       5.694000 0.4222000       6.078000      0.3986000     -0.3846000      0.5806000
  1 1 1      -5   18   19 o    5.516000      0.3968000       5.064000 0.5611000       5.969000      0.5611000     -0.9046000      0.7935000
  1 1 1      -5   18   20 o    4.186000      0.5193000       3.732000 0.7204000       4.641000      0.7482000     -0.9098000       1.039000
  1 1 1      -5   18   21 o    1.810000      0.5400000       1.852000 0.7721000       1.768000      0.7552000      0.8369000E-01   1.080000
  1 1 1      -5   18   22 o    3.924000      0.6683000       3.924000 0.6683000                  ?              ?              ?              ?
  1 1 1      -5   18   23 o    2.604000      0.7606000       2.644000 1.125000       2.564000       1.024000      0.8025000E-01   1.521000
  1 1 1      -5   18   24 o    5.224000      0.9114000                  ?       ?   5.224000      0.9114000                  ?              ?
  1 1 1      -5   18   25 f    4.266000      0.5379000       4.026000 0.8146000       4.506000      0.7028000     -0.4795000       1.076000
  1 1 1      -5   18   26 f    4.296000      0.5411000       5.072000 0.6507000       3.519000      0.8648000       1.554000       1.082000
  1 1 1      -5   18   27 o    2.450000      0.6496000       2.380000 0.9140000       2.519000      0.9234000     -0.1393000       1.299000
  1 1 1      -5   18   28 o    3.157000      0.6549000       2.949000 0.9638000       3.364000      0.8869000     -0.4141000       1.310000
  1 1 1      -5   18   29 o    3.793000      0.5811000       4.211000 0.8116000       3.376000      0.8318000      0.8347000       1.162000
  1 1 1      -5   18   30 o    1.684000      0.5447000       1.462000 0.7009000       1.906000      0.8339000     -0.4434000       1.089000
  1 1 1      -5   19    1 o    10.70000      0.2839000       11.20000 0.4253000       10.20000      0.3763000       1.002000      0.5679000
  1 1 1      -5   19    2 o    4.665000      0.3552000       4.864000 0.5227000       4.466000      0.4811000      0.3978000      0.7104000
  1 1 1      -5   19    3 o    4.676000      0.3846000       4.723000 0.5740000       4.629000      0.5120000      0.9357000E-01  0.7692000
  1 1 1      -5   19    4 o    5.321000      0.3198000       5.514000 0.4827000       5.129000      0.4198000      0.3853000      0.6397000
  1 1 1      -5   19    5 o    1.865000      0.5205000       1.763000 0.7408000       1.967000      0.7314000     -0.2042000       1.041000
  1 1 1      -5   19    6 o    6.176000      0.2585000       6.289000 0.3903000       6.063000      0.3391000      0.2266000      0.5170000
  1 1 1      -5   19    7 o    5.317000      0.2941000       5.297000 0.4528000       5.337000      0.3755000     -0.3991000E-01  0.5883000
  1 1 1      -5   19    8 o    3.035000      0.4861000       3.203000 0.7306000       2.866000      0.6415000      0.3374000      0.9723000
  1 1 1      -5   19    9 o    3.063000      0.4986000       3.390000 0.7055000       2.737000      0.7047000      0.6524000      0.9972000
  1 1 1      -5   19   10 o    9.215000      0.2288000       9.497000 0.3396000       8.934000      0.3067000      0.5631000      0.4576000
  1 1 1      -5   19   11 o    5.306000      0.2928000       4.965000 0.4541000       5.647000      0.3699000     -0.6814000      0.5857000
  1 1 1      -5   19   12 o    2.510000      0.5179000       2.381000 0.7681000       2.638000      0.6949000     -0.2570000       1.036000
  1 1 1      -5   19   13 o    2.132000      0.5267000       1.907000 0.7514000       2.356000      0.7384000     -0.4492000       1.053000
  1 1 1      -5   19   14 o    2.308000      0.5380000       2.132000 0.7806000       2.484000      0.7407000     -0.3527000       1.076000
  1 1 1      -5   19   15 o    4.438000      0.3669000       4.102000 0.5689000       4.774000      0.4635000     -0.6715000      0.7338000
  1 1 1      -5   19   16 o    4.045000      0.3801000       3.810000 0.6027000       4.281000      0.4632000     -0.4704000      0.7602000
  1 1 1      -5   19   17 o    2.817000      0.5916000       2.733000 0.7966000       2.900000      0.8749000     -0.1667000       1.183000
  1 1 1      -5   19   18 o    2.506000      0.6158000       2.546000 0.8529000       2.466000      0.8884000      0.8006000E-01   1.232000
  1 1 1      -5   19   19 o    6.086000      0.3101000       6.542000 0.4167000       5.630000      0.4592000      0.9123000      0.6201000
  1 1 1      -5   19   20 o    2.534000      0.5880000       2.443000 0.8219000       2.625000      0.8410000     -0.1818000       1.176000
  1 1 1      -5   19   21 o    3.032000      0.7585000       2.500000 1.101000       3.565000       1.044000      -1.065000       1.517000
  1 1 1      -5   19   22 o    4.974000       1.177000       4.974000 1.177000                  ?              ?              ?              ?
  1 1 1      -5   19   23 o    2.032000      0.5790000       1.559000 0.7242000       2.504000      0.9037000     -0.9454000       1.158000
  1 1 1      -5   19   24 o    1.864000      0.8222000                  ?       ?   1.864000      0.8222000                  ?              ?
  1 1 1      -5   19   25 o    3.719000      0.5940000       4.044000 0.7757000       3.395000      0.8997000      0.6490000       1.188000
  1 1 1      -5   19   26 o    4.239000      0.5533000       4.702000 0.7052000       3.776000      0.8528000      0.9257000       1.107000
  1 1 1      -5   19   27 o    2.863000      0.6457000       3.363000 0.8911000       2.364000      0.9347000      0.9992000       1.291000
  1 1 1      -5   19   28 o    2.719000      0.6482000       3.101000 0.9600000       2.338000      0.8713000      0.7631000       1.296000
  1 1 1      -5   19   29 o    3.711000      0.6082000       3.702000 0.8826000       3.721000      0.8369000     -0.1909000E-01   1.216000
  1 1 1      -5   20    1 o    7.539000      0.3062000       7.229000 0.4492000       7.849000      0.4161000     -0.6202000      0.6123000
  1 1 1      -5   20    2 o    2.561000      0.5374000       3.405000 0.7870000       1.716000      0.7319000       1.689000       1.075000
  1 1 1      -5   20    3 o    3.964000      0.4457000       4.300000 0.6272000       3.627000      0.6334000      0.6730000      0.8914000
  1 1 1      -5   20    4 o    7.167000      0.2982000       7.277000 0.4538000       7.058000      0.3870000      0.2183000      0.5964000
  1 1 1      -5   20    5 o    2.961000      0.5442000       2.776000 0.8627000       3.145000      0.6635000     -0.3686000       1.088000
  1 1 1      -5   20    6 o    9.798000      0.2556000       10.02000 0.3881000       9.576000      0.3327000      0.4443000      0.5112000
  1 1 1      -5   20    7 o    4.603000      0.3620000       4.851000 0.5352000       4.356000      0.4877000      0.4948000      0.7241000
  1 1 1      -5   20    8 o    6.969000      0.2646000       7.230000 0.4054000       6.708000      0.3402000      0.5216000      0.5292000
  1 1 1      -5   20    9 o    7.468000      0.2696000       7.900000 0.3982000       7.037000      0.3637000      0.8627000      0.5393000
  1 1 1      -5   20   10 o    8.162000      0.2647000       8.222000 0.4017000       8.102000      0.3447000      0.1203000      0.5293000
  1 1 1      -5   20   11 o    6.465000      0.2814000       7.010000 0.4094000       5.921000      0.3863000       1.088000      0.5629000
  1 1 1      -5   20   12 o    6.316000      0.2695000       6.297000 0.4058000       6.336000      0.3547000     -0.3985000E-01  0.5389000
  1 1 1      -5   20   13 o    7.405000      0.2588000       7.520000 0.3736000       7.289000      0.3584000      0.2307000      0.5177000
  1 1 1      -5   20   14 o    9.068000      0.3228000       9.231000 0.4551000       8.906000      0.4580000      0.3249000      0.6456000
  1 1 1      -5   20   15 o    9.281000      0.3201000       9.208000 0.4452000       9.354000      0.4601000     -0.1458000      0.6403000
  1 1 1      -5   20   16 o    4.260000      0.3885000       4.348000 0.5734000       4.171000      0.5245000      0.1776000      0.7771000
  1 1 1      -5   20   17 o    4.272000      0.4129000       4.190000 0.6214000       4.355000      0.5439000     -0.1654000      0.8258000
  1 1 1      -5   20   18 o    5.210000      0.5743000       5.314000 1.062000       5.107000      0.4379000      0.2076000       1.149000
  1 1 1      -5   20   19 o    8.374000      0.4714000       8.479000 0.7429000       8.270000      0.5805000      0.2087000      0.9428000
  1 1 1      -5   20   20 f    8.068000      0.2819000       7.923000 0.4225000       8.213000      0.3733000     -0.2896000      0.5638000
  1 1 1      -5   20   21 f    6.358000      0.3347000       6.177000 0.4820000       6.540000      0.4645000     -0.3623000      0.6694000
  1 1 1      -5   20   22 o    3.062000      0.6012000       2.432000 0.8893000       3.692000      0.8093000      -1.260000       1.202000
  1 1 1      -5   20   23 o    3.127000      0.6230000       2.987000 0.8710000       3.268000      0.8909000     -0.2815000       1.246000
  1 1 1      -5   20   24 o    2.812000      0.5789000       3.593000 0.7741000       2.032000      0.8610000       1.562000       1.158000
  1 1 1      -5   20   25 o    4.220000      0.5670000       4.930000 0.7046000       3.511000      0.8885000       1.419000       1.134000
  1 1 1      -5   20   26 f    2.738000      0.6664000       2.562000 0.9376000       2.914000      0.9472000     -0.3512000       1.333000
  1 1 1      -5   20   27 o    2.725000      0.5972000       1.862000 0.8232000       3.587000      0.8654000      -1.724000       1.194000
  1 1 1      -5   20   28 o    2.245000      0.6150000       1.784000 0.7960000       2.706000      0.9377000     -0.9228000       1.230000
  1 1 1      -5   21    1 o    7.510000      0.3480000       7.180000 0.5124000       7.840000      0.4710000     -0.6601000      0.6960000
  1 1 1      -5   21    2 o    5.358000      0.3801000       5.430000 0.5761000       5.285000      0.4959000      0.1446000      0.7601000
  1 1 1      -5   21    3 o    4.025000      0.5034000       3.258000 0.8585000       4.792000      0.5259000      -1.535000       1.007000
  1 1 1      -5   21    4 o    4.064000      0.5061000       3.881000 0.7861000       4.247000      0.6375000     -0.3667000       1.012000
  1 1 1      -5   21    5 o    6.248000      0.3283000       6.331000 0.5000000       6.164000      0.4256000      0.1673000      0.6565000
  1 1 1      -5   21    6 o    6.685000      0.3155000       6.755000 0.4917000       6.615000      0.3956000      0.1404000      0.6311000
  1 1 1      -5   21    7 o    4.838000      0.4286000       4.082000 0.7259000       5.593000      0.4560000      -1.510000      0.8573000
  1 1 1      -5   21    8 o    4.719000      0.3723000       4.850000 0.5749000       4.589000      0.4731000      0.2617000      0.7445000
  1 1 1      -5   21    9 o    4.065000      0.4320000       4.337000 0.6515000       3.793000      0.5676000      0.5441000      0.8641000
  1 1 1      -5   21   10 o    7.005000      0.3015000       7.183000 0.4535000       6.828000      0.3974000      0.3548000      0.6030000
  1 1 1      -5   21   11 o    6.867000      0.4746000       7.172000 0.7023000       6.561000      0.6385000      0.6105000      0.9491000
  1 1 1      -5   21   12 o    7.699000      0.3958000       7.950000 0.5246000       7.448000      0.5928000      0.5018000      0.7916000
  1 1 1      -5   21   13 o    4.232000      0.4060000       4.430000 0.5844000       4.034000      0.5636000      0.3955000      0.8119000
  1 1 1      -5   21   14 o    6.300000      0.3060000       6.392000 0.4486000       6.208000      0.4163000      0.1840000      0.6120000
  1 1 1      -5   21   15 o    1.591000      0.5037000       1.785000 0.7651000       1.397000      0.6552000      0.3885000       1.007000
  1 1 1      -5   21   16 o    6.070000      0.5267000       6.153000 0.8283000       5.986000      0.6507000      0.1664000       1.053000
  1 1 1      -5   21   17 o    6.240000      0.5316000       6.397000 0.8267000       6.082000      0.6688000      0.3153000       1.063000
  1 1 1      -5   21   18 o    7.882000      0.2980000       8.063000 0.4402000       7.701000      0.4017000      0.3620000      0.5960000
  1 1 1      -5   21   19 o    8.843000      0.2811000       8.582000 0.4156000       9.103000      0.3787000     -0.5212000      0.5623000
  1 1 1      -5   21   20 o    3.996000      0.5161000       4.169000 0.7235000       3.824000      0.7362000      0.3445000       1.032000
  1 1 1      -5   21   21 o    5.682000      0.3887000       5.274000 0.5951000       6.091000      0.5004000     -0.8169000      0.7775000
  1 1 1      -5   21   22 o    1.952000      0.5849000       1.988000 0.8366000       1.915000      0.8177000      0.7364000E-01   1.170000
  1 1 1      -5   21   23 o    2.026000      0.5848000       1.646000 0.7606000       2.407000      0.8885000     -0.7608000       1.170000
  1 1 1      -5   21   24 o    1.724000      0.5563000       1.750000 0.7980000       1.697000      0.7754000      0.5289000E-01   1.113000
  1 1 1      -5   21   25 o    3.762000      0.6020000       3.156000 0.9421000       4.368000      0.7496000      -1.212000       1.204000
  1 1 1      -5   21   26 o    1.699000      0.5523000       1.921000 0.8461000       1.476000      0.7103000      0.4443000       1.105000
  1 1 1      -5   21   27 o    2.986000      0.6801000       2.490000 0.9489000       3.483000      0.9745000     -0.9932000       1.360000
  1 1 1      -5   22    1 o    10.61000      0.3250000       10.60000 0.4681000       10.62000      0.4511000     -0.1700000E-01  0.6501000
  1 1 1      -5   22    2 o    6.204000      0.4024000       6.212000 0.5964000       6.195000      0.5404000      0.1691000E-01  0.8048000
  1 1 1      -5   22    3 o    5.292000      0.4264000       5.751000 0.6070000       4.833000      0.5991000      0.9178000      0.8528000
  1 1 1      -5   22    4 o    7.809000      0.6198000       8.357000 0.4762000       7.261000       1.144000       1.096000       1.240000
  1 1 1      -5   22    5 o    3.701000      0.5660000       3.823000 0.8569000       3.578000      0.7398000      0.2455000       1.132000
  1 1 1      -5   22    6 o    7.590000      0.3309000       7.783000 0.4884000       7.397000      0.4465000      0.3857000      0.6618000
  1 1 1      -5   22    7 o    4.595000      0.6954000       4.077000 0.5890000       5.112000       1.260000      -1.035000       1.391000
  1 1 1      -5   22    8 o    7.162000      0.7064000       6.911000 1.154000       7.413000      0.8147000     -0.5027000       1.413000
  1 1 1      -5   22    9 o    9.474000      0.4436000       9.449000 0.6689000       9.499000      0.5828000     -0.5002000E-01  0.8872000
  1 1 1      -5   22   10 o    6.083000      0.3500000       5.670000 0.5636000       6.496000      0.4151000     -0.8261000      0.7000000
  1 1 1      -5   22   11 o    4.113000      0.4586000       4.364000 0.6586000       3.862000      0.6383000      0.5022000      0.9171000
  1 1 1      -5   22   12 o    1.654000      0.5230000       1.685000 0.7626000       1.624000      0.7160000      0.6066000E-01   1.046000
  1 1 1      -5   22   13 o    5.833000      0.5006000       5.118000 0.8527000       6.548000      0.5249000      -1.430000       1.001000
  1 1 1      -5   22   14 o    1.982000      0.6243000       2.006000 0.9191000       1.959000      0.8451000      0.4754000E-01   1.249000
  1 1 1      -5   22   15 o    2.183000      0.5734000       2.457000 0.8656000       1.909000      0.7522000      0.5474000       1.147000
  1 1 1      -5   22   16 o    6.242000      0.3242000       6.201000 0.4854000       6.283000      0.4300000     -0.8251000E-01  0.6485000
  1 1 1      -5   22   17 o    3.639000      0.5421000       3.407000 0.8523000       3.871000      0.6702000     -0.4644000       1.084000
  1 1 1      -5   22   18 o    8.211000      0.2927000       8.132000 0.4313000       8.289000      0.3956000     -0.1576000      0.5853000
  1 1 1      -5   22   19 o    5.340000      0.4179000       5.743000 0.5875000       4.937000      0.5946000      0.8057000      0.8359000
  1 1 1      -5   22   20 o    1.789000      0.5600000       1.677000 0.7692000       1.902000      0.8141000     -0.2248000       1.120000
  1 1 1      -5   22   21 o    1.993000      0.5994000       2.090000 0.8670000       1.896000      0.8281000      0.1937000       1.199000
  1 1 1      -5   22   22 o    4.299000      0.5292000       4.426000 0.7148000       4.171000      0.7806000      0.2551000       1.058000
  1 1 1      -5   22   23 o    3.344000      0.6203000       2.797000 0.9498000       3.891000      0.7980000      -1.094000       1.241000
  1 1 1      -5   22   24 o    7.224000      0.3708000       7.728000 0.5214000       6.721000      0.5272000       1.007000      0.7415000
  1 1 1      -5   22   25 o    4.727000      0.5321000       4.561000 0.8104000       4.892000      0.6897000     -0.3310000       1.064000
  1 1 1      -5   22   26 o    2.217000      0.6490000       2.275000 0.9386000       2.160000      0.8967000      0.1151000       1.298000
  1 1 1      -5   23    1 o    9.649000      0.3752000       9.820000 0.5372000       9.477000      0.5240000      0.3425000      0.7504000
  1 1 1      -5   23    2 o    3.503000      0.6237000       4.010000 0.8050000       2.996000      0.9528000       1.014000       1.247000
  1 1 1      -5   23    3 o    4.553000       1.141000       2.480000 1.164000       6.626000       1.964000      -4.146000       2.283000
  1 1 1      -5   23    5 o    4.923000       1.091000       4.794000 1.556000       5.053000       1.531000     -0.2588000       2.183000
  1 1 1      -5   23    6 o    7.107000      0.3309000       6.567000 0.5015000       7.646000      0.4319000      -1.079000      0.6618000
  1 1 1      -5   23    7 o    5.045000      0.4468000       4.853000 0.7218000       5.237000      0.5270000     -0.3845000      0.8937000
  1 1 1      -5   23    8 o    6.997000      0.3426000       7.164000 0.5183000       6.830000      0.4481000      0.3340000      0.6852000
  1 1 1      -5   23    9 o    1.988000      0.5451000       2.645000 0.8861000       1.332000      0.6352000       1.313000       1.090000
  1 1 1      -5   23   10 o    6.502000      0.4359000       6.851000 0.6485000       6.154000      0.5827000      0.6966000      0.8718000
  1 1 1      -5   23   11 o    3.537000      0.6252000       2.568000 1.018000       4.506000      0.7262000      -1.938000       1.250000
  1 1 1      -5   23   12 o    8.328000      0.2919000       8.044000 0.4497000       8.612000      0.3723000     -0.5675000      0.5838000
  1 1 1      -5   23   13 o    3.695000      0.5516000       4.358000 0.7582000       3.032000      0.8013000       1.326000       1.103000
  1 1 1      -5   23   14 o    5.632000      0.3910000       5.952000 0.5764000       5.312000      0.5283000      0.6403000      0.7819000
  1 1 1      -5   23   15 o    2.904000      0.5969000       3.697000 0.8622000       2.111000      0.8258000       1.587000       1.194000
  1 1 1      -5   23   16 f    1.842000      0.5607000       1.798000 0.8020000       1.885000      0.7837000     -0.8611000E-01   1.121000
  1 1 1      -5   23   17 o    5.301000      0.4169000       5.095000 0.6459000       5.507000      0.5273000     -0.4122000      0.8338000
  1 1 1      -5   23   18 o    2.814000      0.5991000       2.195000 0.8786000       3.432000      0.8147000      -1.238000       1.198000
  1 1 1      -5   23   19 o    2.652000      0.6125000       3.237000 0.8970000       2.068000      0.8344000       1.169000       1.225000
  1 1 1      -5   23   20 o    3.166000      0.6491000       3.448000 0.9351000       2.884000      0.9005000      0.5640000       1.298000
  1 1 1      -5   23   21 o    2.224000      0.9248000       2.224000 0.9248000                  ?              ?              ?              ?
  1 1 1      -5   23   22 o    2.503000      0.6653000       2.919000 0.9905000       2.088000      0.8885000      0.8314000       1.331000
  1 1 1      -5   23   23 o    3.757000      0.9871000       3.757000 0.9871000                  ?              ?              ?              ?
  1 1 1      -5   23   24 o    3.285000      0.6991000       3.219000 0.9925000       3.352000      0.9849000     -0.1329000       1.398000
  1 1 1      -5   23   25 o    1.902000      0.9166000                  ?       ?   1.902000      0.9166000                  ?              ?
  1 1 1      -5   24    1 o    4.950000      0.7673000       4.087000 1.391000       5.812000      0.6484000      -1.725000       1.535000
  1 1 1      -5   24    2 o    2.879000      0.6602000       2.739000 0.9290000       3.018000      0.9383000     -0.2793000       1.320000
  1 1 1      -5   24    3 o    6.886000      0.3675000       6.566000 0.5484000       7.207000      0.4895000     -0.6408000      0.7350000
  1 1 1      -5   24    4 o    8.059000      0.3574000       8.208000 0.5402000       7.909000      0.4681000      0.2995000      0.7148000
  1 1 1      -5   24    5 o    2.313000      0.6287000       2.345000 0.8942000       2.280000      0.8841000      0.6574000E-01   1.257000
  1 1 1      -5   24    6 o    3.923000      0.6248000       4.513000 0.9032000       3.332000      0.8637000       1.181000       1.250000
  1 1 1      -5   24    7 o    8.354000      0.3737000       8.473000 0.5625000       8.236000      0.4921000      0.2373000      0.7474000
  1 1 1      -5   24    8 o    3.604000      0.6135000       3.097000 0.9177000       4.111000      0.8146000      -1.014000       1.227000
  1 1 1      -5   24    9 o    2.578000      0.6501000       2.991000 0.9759000       2.166000      0.8592000      0.8248000       1.300000
  1 1 1      -5   24   10 o    1.952000      0.5980000       2.182000 0.9145000       1.722000      0.7709000      0.4597000       1.196000
  1 1 1      -5   24   11 o    4.870000      0.4999000       4.253000 0.8440000       5.487000      0.5359000      -1.234000      0.9998000
  1 1 1      -5   24   12 o    3.318000      0.6109000       3.446000 0.9165000       3.190000      0.8080000      0.2561000       1.222000
  1 1 1      -5   24   13 o    6.025000      0.4119000       5.523000 0.6780000       6.528000      0.4680000      -1.005000      0.8238000
  1 1 1      -5   24   14 o    4.778000      0.5050000       4.649000 0.8153000       4.906000      0.5961000     -0.2575000       1.010000
  1 1 1      -5   24   15 o    2.792000      0.6397000       3.634000 0.9685000       1.949000      0.8360000       1.684000       1.279000
  1 1 1      -5   24   16 o    2.445000      0.6577000       2.746000 0.9838000       2.144000      0.8732000      0.6018000       1.315000
  1 1 1      -5   24   17 o    3.894000      0.5975000       3.595000 0.9493000       4.193000      0.7259000     -0.5988000       1.195000
  1 1 1      -5   24   18 o    4.400000      0.5402000       4.163000 0.8599000       4.637000      0.6541000     -0.4740000       1.080000
  1 1 1      -5   24   19 o    1.860000      0.5883000       1.922000 0.8579000       1.799000      0.8051000      0.1227000       1.177000
  1 1 1      -5   24   20 o    2.482000      0.6662000       3.011000 1.022000       1.953000      0.8553000       1.058000       1.332000
  1 1 1      -5   24   21 o    2.931000      0.7184000       2.944000 1.044000       2.919000      0.9868000      0.2527000E-01   1.437000
  1 1 1      -5   24   22 o    2.677000      0.6700000       3.273000 1.002000       2.080000      0.8892000       1.193000       1.340000
  1 1 1      -5   24   23 o    4.492000      0.8233000       4.492000 0.8233000                  ?              ?              ?              ?
  1 1 1      -5   25    1 o    2.452000      0.7269000       2.550000 1.048000       2.354000       1.007000      0.1956000       1.454000
  1 1 1      -5   25    2 o    10.11000      0.3799000       10.43000 0.5452000       9.797000      0.5292000      0.6291000      0.7598000
  1 1 1      -5   25    3 o    8.564000      0.3888000       8.846000 0.5663000       8.281000      0.5329000      0.5654000      0.7776000
  1 1 1      -5   25    4 o    2.036000      0.6256000       1.910000 0.8522000       2.162000      0.9160000     -0.2521000       1.251000
  1 1 1      -5   25    5 o    7.329000      0.4075000       7.939000 0.6050000       6.719000      0.5462000       1.220000      0.8151000
  1 1 1      -5   25    6 o    4.726000      0.5776000       4.301000 0.9718000       5.151000      0.6245000     -0.8498000       1.155000
  1 1 1      -5   25    7 o    6.077000      0.3830000       6.394000 0.5721000       5.759000      0.5092000      0.6351000      0.7659000
  1 1 1      -5   25    8 o    2.170000      0.6114000       2.484000 0.9417000       1.857000      0.7800000      0.6271000       1.223000
  1 1 1      -5   25    9 o    5.163000      0.4962000       4.185000 0.8675000       6.141000      0.4818000      -1.956000      0.9923000
  1 1 1      -5   25   10 o    7.108000      0.3627000       6.957000 0.5710000       7.259000      0.4472000     -0.3023000      0.7253000
  1 1 1      -5   25   11 o    4.877000      0.5154000       4.818000 0.8402000       4.936000      0.5971000     -0.1173000       1.031000
  1 1 1      -5   25   12 o    3.452000      0.6292000       3.037000 1.007000       3.868000      0.7542000     -0.8307000       1.258000
  1 1 1      -5   25   13 o    3.073000      0.6529000       3.263000 0.9575000       2.882000      0.8880000      0.3816000       1.306000
  1 1 1      -5   25   14 o    1.847000      0.5597000       1.358000 0.6768000       2.337000      0.8916000     -0.9783000       1.119000
  1 1 1      -5   25   15 o    4.557000      0.5874000       3.859000 0.9862000       5.255000      0.6384000      -1.395000       1.175000
  1 1 1      -5   25   16 o    2.391000      0.6541000       1.947000 0.8924000       2.835000      0.9566000     -0.8884000       1.308000
  1 1 1      -5   25   17 o    3.330000      0.7119000       2.965000 1.078000       3.695000      0.9304000     -0.7309000       1.424000
  1 1 1      -5   25   18 o    3.962000      0.6649000       3.556000 1.059000       4.367000      0.8041000     -0.8115000       1.330000
  1 1 1      -5   25   19 o    3.249000      0.6834000       3.973000 0.9815000       2.525000      0.9513000       1.448000       1.367000
  1 1 1      -5   25   20 o    2.224000      0.6539000       1.967000 0.9001000       2.480000      0.9487000     -0.5125000       1.308000
  1 1 1      -5   25   21 o    2.865000      0.7185000       2.964000 1.040000       2.767000      0.9916000      0.1965000       1.437000
  1 1 1      -5   25   22 o    3.162000      0.7135000       2.865000 1.020000       3.459000      0.9977000     -0.5942000       1.427000
  1 1 1      -5   26    1 o    2.746000      0.7777000       2.487000 1.065000       3.004000       1.133000     -0.5167000       1.555000
  1 1 1      -5   26    2 o    4.219000      0.6581000       4.639000 0.8875000       3.799000      0.9720000      0.8395000       1.316000
  1 1 1      -5   26    3 o    2.541000      0.6798000       2.262000 0.9565000       2.820000      0.9664000     -0.5579000       1.360000
  1 1 1      -5   26    4 o    2.356000      0.6724000       2.376000 0.9768000       2.336000      0.9243000      0.4057000E-01   1.345000
  1 1 1      -5   26    5 o    2.361000      0.6616000       2.024000 0.9047000       2.699000      0.9655000     -0.6742000       1.323000
  1 1 1      -5   26    6 o    3.853000      0.6295000       2.806000 1.037000       4.900000      0.7140000      -2.094000       1.259000
  1 1 1      -5   26    7 o    1.838000      0.5880000       1.991000 0.8905000       1.685000      0.7682000      0.3052000       1.176000
  1 1 1      -5   26    8 o    5.257000      0.4996000       5.031000 0.8090000       5.483000      0.5865000     -0.4518000      0.9993000
  1 1 1      -5   26    9 o    2.297000      0.6608000       2.468000 0.9844000       2.126000      0.8818000      0.3423000       1.322000
  1 1 1      -5   26   10 o    2.393000      0.6253000       1.821000 0.8408000       2.965000      0.9256000      -1.144000       1.251000
  1 1 1      -5   26   11 o    3.373000      0.6802000       2.870000 1.056000       3.877000      0.8583000      -1.007000       1.360000
  1 1 1      -5   26   12 o    2.126000      0.6241000       1.804000 0.8472000       2.449000      0.9167000     -0.6450000       1.248000
  1 1 1      -5   26   13 o    2.717000      0.6762000       2.722000 0.9893000       2.712000      0.9222000      0.9901000E-02   1.352000
  1 1 1      -5   26   14 o    4.177000      0.6207000       3.064000 1.055000       5.290000      0.6539000      -2.227000       1.241000
  1 1 1      -5   26   15 o    3.732000      0.6769000       3.593000 1.027000       3.870000      0.8817000     -0.2762000       1.354000
  1 1 1      -5   26   16 o    3.302000      0.6514000       2.249000 0.9825000       4.354000      0.8555000      -2.105000       1.303000
  1 1 1      -5   26   17 o    3.732000      0.6823000       2.787000 1.070000       4.677000      0.8468000      -1.890000       1.365000
  1 1 1      -5   26   18 o    2.822000      0.7015000       2.277000 0.9708000       3.368000       1.013000      -1.092000       1.403000
  1 1 1      -5   26   19 f    2.956000      0.7306000       3.004000 1.079000       2.908000      0.9851000      0.9612000E-01   1.461000
  1 1 1      -5   26   20 o    3.858000      0.7109000       4.148000 1.032000       3.568000      0.9775000      0.5802000       1.422000
  1 1 1      -5   27    1 o    3.954000      0.7834000       4.285000 1.100000       3.623000       1.116000      0.6622000       1.567000
  1 1 1      -5   27    2 o    4.201000      0.6838000       5.684000 0.9151000       2.717000       1.016000       2.967000       1.368000
  1 1 1      -5   27    3 o    3.415000      0.6996000       3.506000 1.027000       3.325000      0.9498000      0.1814000       1.399000
  1 1 1      -5   27    4 o    1.803000      0.5837000       1.713000 0.8114000       1.893000      0.8393000     -0.1800000       1.167000
  1 1 1      -5   27    5 o    3.179000      0.7103000       3.281000 1.049000       3.076000      0.9584000      0.2051000       1.421000
  1 1 1      -5   27    6 o    2.546000      0.6726000       2.023000 0.9114000       3.070000      0.9893000      -1.047000       1.345000
  1 1 1      -5   27    7 o    3.457000      0.7076000       3.830000 1.029000       3.083000      0.9721000      0.7471000       1.415000
  1 1 1      -5   27    8 o    2.064000      0.6233000       1.910000 0.8624000       2.217000      0.9001000     -0.3074000       1.247000
  1 1 1      -5   27    9 o    2.937000      0.6743000       2.262000 0.9576000       3.613000      0.9495000      -1.351000       1.349000
  1 1 1      -5   27   10 o    3.968000      0.6889000       4.070000 1.013000       3.867000      0.9338000      0.2029000       1.378000
  1 1 1      -5   27   11 f    3.444000      0.6105000       2.020000 0.9149000       4.868000      0.8086000      -2.848000       1.221000
  1 1 1      -5   27   12 o    1.986000      0.6384000       2.108000 0.9495000       1.863000      0.8534000      0.2450000       1.277000
  1 1 1      -5   27   13 o    2.496000      0.7079000       2.760000 1.069000       2.232000      0.9286000      0.5275000       1.416000
  1 1 1      -5   27   14 o    2.420000      0.6911000       2.728000 1.048000       2.112000      0.9016000      0.6160000       1.382000
  1 1 1      -5   27   15 o    3.450000      0.7398000       3.601000 1.091000       3.299000      0.9995000      0.3020000       1.480000
  1 1 1      -5   27   16 o    4.081000      0.6992000       4.514000 0.9802000       3.647000      0.9973000      0.8672000       1.398000
  1 1 1      -5   27   17 o    3.610000      0.7003000       4.447000 0.9504000       2.773000       1.029000       1.674000       1.401000
  1 1 1      -5   27   18 o    3.052000      0.7339000       2.536000 1.042000       3.569000       1.034000      -1.033000       1.468000
  1 1 1      -5   28    1 o    2.845000      0.7944000       2.762000 1.135000       2.928000       1.112000     -0.1652000       1.589000
  1 1 1      -5   28    2 o    3.248000      0.7710000       3.490000 1.137000       3.007000       1.042000      0.4832000       1.542000
  1 1 1      -5   28    3 o    4.597000      0.6444000       4.803000 0.9370000       4.390000      0.8850000      0.4138000       1.289000
  1 1 1      -5   28    4 o    3.707000      0.7315000       3.859000 1.066000       3.555000       1.002000      0.3031000       1.463000
  1 1 1      -5   28    5 o    6.001000      0.5397000       5.033000 0.9014000       6.968000      0.5938000      -1.935000       1.079000
  1 1 1      -5   28    6 o    3.687000      0.7653000       3.288000 1.148000       4.085000       1.012000     -0.7975000       1.531000
  1 1 1      -5   28    7 o    4.161000      0.7091000       3.397000 1.122000       4.924000      0.8668000      -1.527000       1.418000
  1 1 1      -5   28    8 o    2.388000      0.7187000       2.583000 1.070000       2.194000      0.9594000      0.3891000       1.437000
  1 1 1      -5   28    9 o    2.360000      0.6914000       2.262000 0.9728000       2.459000      0.9828000     -0.1974000       1.383000
  1 1 1      -5   28   10 o    3.670000      0.6918000       3.215000 1.073000       4.124000      0.8737000     -0.9088000       1.384000
  1 1 1      -5   28   11 o    2.863000      0.7224000       3.025000 1.066000       2.702000      0.9747000      0.3235000       1.445000
  1 1 1      -5   28   12 o    3.117000      0.7254000       2.404000 1.014000       3.831000       1.038000      -1.427000       1.451000
  1 1 1      -5   28   13 o    3.061000      0.7636000       3.372000 1.114000       2.751000       1.045000      0.6207000       1.527000
  1 1 1      -5   28   14 o    2.256000      0.6840000       2.570000 1.038000       1.941000      0.8907000      0.6287000       1.368000
  1 1 1      -5   28   15 o    2.940000      0.7492000       2.825000 1.091000       3.056000       1.028000     -0.2306000       1.498000
  1 1 1      -5   28   16 o    2.636000      0.7092000       3.196000 1.097000       2.076000      0.8987000       1.120000       1.418000
  1 1 1      -5   29    1 o    4.169000      0.8224000       4.260000 1.160000       4.077000       1.166000      0.1836000       1.645000
  1 1 1      -5   29    2 o    3.370000      0.7955000       3.547000 1.138000       3.194000       1.112000      0.3533000       1.591000
  1 1 1      -5   29    3 o    5.880000      0.6606000       6.066000 0.9947000       5.695000      0.8694000      0.3708000       1.321000
  1 1 1      -5   29    4 o    5.662000      0.5948000       5.610000 0.8820000       5.713000      0.7983000     -0.1034000       1.190000
  1 1 1      -5   29    5 o    2.715000      0.7485000       3.389000 1.163000       2.041000      0.9426000       1.348000       1.497000
  1 1 1      -5   29    6 o    2.886000      0.7813000       2.827000 1.112000       2.946000       1.097000     -0.1188000       1.563000
  1 1 1      -5   29    7 o    3.509000      0.7770000       3.293000 1.137000       3.726000       1.059000     -0.4329000       1.554000
  1 1 1      -5   29    8 o    3.368000      0.7515000       3.903000 1.101000       2.832000       1.023000       1.070000       1.503000
  1 1 1      -5   29    9 o    2.485000      0.7098000       2.485000 1.023000       2.484000      0.9844000      0.9862999E-03   1.420000
  1 1 1      -5   29   10 o    2.707000      0.7472000       2.420000 1.029000       2.994000       1.083000     -0.5735000       1.494000
  1 1 1      -5   29   11 o    4.817000      0.6605000       3.885000 1.085000       5.749000      0.7539000      -1.864000       1.321000
  1 1 1      -5   29   12 o    3.072000      0.7837000       3.062000 1.129000       3.082000       1.088000     -0.2019000E-01   1.567000
  1 1 1      -5   29   13 o    3.149000      0.7517000       3.121000 1.109000       3.176000       1.015000     -0.5534000E-01   1.503000
  1 1 1      -5   30    1 o    2.497000      0.7680000       2.666000 1.126000       2.328000       1.044000      0.3386000       1.536000
  1 1 1      -5   30    2 o    3.207000      0.8068000       3.099000 1.139000       3.315000       1.143000     -0.2155000       1.614000
  1 1 1      -5   30    3 o    3.504000      0.7939000       4.005000 1.115000       3.003000       1.131000       1.002000       1.588000
  1 1 1      -5   30    4 o    3.211000      0.8269000       2.823000 1.151000       3.598000       1.188000     -0.7743000       1.654000
  1 1 1      -5   30    5 o    3.646000      0.8229000       4.087000 1.157000       3.205000       1.171000      0.8819000       1.646000
  1 1 1      -5   30    6 o    2.875000      0.7879000       2.812000 1.114000       2.939000       1.115000     -0.1272000       1.576000
  1 1 1      -5   30    7 o    4.217000      0.7725000       4.029000 1.135000       4.405000       1.048000     -0.3758000       1.545000
  1 1 1      -5   30    8 o    3.150000      0.8001000       3.647000 1.159000       2.652000       1.104000      0.9949000       1.600000
  1 1 1      -5   30    9 o    2.732000      0.7713000       2.311000 1.032000       3.153000       1.147000     -0.8417000       1.543000
  1 1 1      -5   31    1 o    2.176000      0.7463000       2.066000 0.9715000       2.285000       1.133000     -0.2191000       1.493000
  1 1 1      -5   31    2 o    3.499000      0.9182000       3.923000 1.175000       3.076000       1.411000      0.8473000       1.836000
  1 1 1      -5   31    3 o    5.835000       1.737000                  ?       ?   5.835000       1.737000                  ?              ?
  1 1 1      -4  -35    1 o    3.004000      0.7856000       3.567000 1.190000       2.442000       1.025000       1.125000       1.571000
  1 1 1      -4  -35    2 o    2.225000      0.7028000       2.193000 1.005000       2.258000      0.9830000     -0.6430000E-01   1.406000
  1 1 1      -4  -35    3 o    3.043000       1.254000       3.043000 1.254000                  ?              ?              ?              ?
  1 1 1      -4  -34    1 o    2.210000      0.6889000       1.941000 0.9283000       2.479000       1.018000     -0.5374000       1.378000
  1 1 1      -4  -34    2 o    2.947000      0.7856000       2.582000 1.128000       3.311000       1.093000     -0.7294000       1.571000
  1 1 1      -4  -34    3 o    5.053000      0.7673000       5.142000 1.260000       4.963000      0.8756000      0.1789000       1.535000
  1 1 1      -4  -34    4 o    3.612000      0.7673000       2.937000 1.194000       4.287000      0.9640000      -1.350000       1.535000
  1 1 1      -4  -34    5 o    3.479000      0.8114000       3.384000 1.235000       3.575000       1.053000     -0.1909000       1.623000
  1 1 1      -4  -34    6 o    3.203000      0.7830000       4.068000 1.207000       2.337000      0.9983000       1.731000       1.566000
  1 1 1      -4  -34    7 o    2.319000      0.7047000       1.993000 0.9449000       2.645000       1.046000     -0.6514000       1.409000
  1 1 1      -4  -34    8 o    2.799000      0.8107000       2.977000 1.232000       2.622000       1.055000      0.3555000       1.621000
  1 1 1      -4  -34    9 o    2.554000      0.7384000       2.259000 1.023000       2.849000       1.065000     -0.5903000       1.477000
  1 1 1      -4  -33    1 o    2.338000      0.7317000       2.430000 1.078000       2.247000      0.9896000      0.1825000       1.463000
  1 1 1      -4  -33    2 o    2.505000      0.7675000       2.699000 1.153000       2.311000       1.013000      0.3881000       1.535000
  1 1 1      -4  -33    3 o    2.817000      0.7697000       2.468000 1.089000       3.166000       1.088000     -0.6985000       1.539000
  1 1 1      -4  -33    4 o    2.446000      0.7336000       2.171000 1.008000       2.722000       1.066000     -0.5516000       1.467000
  1 1 1      -4  -33    5 o    2.996000      0.7683000       2.668000 1.113000       3.323000       1.060000     -0.6546000       1.537000
  1 1 1      -4  -33    6 f    3.089000      0.7934000       3.217000 1.182000       2.960000       1.059000      0.2569000       1.587000
  1 1 1      -4  -33    7 o    4.425000      0.7909000       4.356000 1.206000       4.494000       1.024000     -0.1375000       1.582000
  1 1 1      -4  -33    8 o    2.575000      0.7427000       2.315000 1.034000       2.834000       1.067000     -0.5196000       1.485000
  1 1 1      -4  -33    9 o    2.274000      0.7072000       2.742000 1.124000       1.806000      0.8581000      0.9355000       1.414000
  1 1 1      -4  -33   10 o    2.519000      0.7375000       3.048000 1.157000       1.989000      0.9142000       1.058000       1.475000
  1 1 1      -4  -33   11 o    2.183000      0.6915000       2.355000 1.042000       2.011000      0.9095000      0.3440000       1.383000
  1 1 1      -4  -33   12 o    2.322000      0.7142000       1.990000 0.9496000       2.654000       1.067000     -0.6637000       1.428000
  1 1 1      -4  -33   13 o    3.373000       1.388000       3.373000 1.388000                  ?              ?              ?              ?
  1 1 1      -4  -32    1 o    3.453000      0.8148000       2.694000 1.152000       4.213000       1.152000      -1.519000       1.630000
  1 1 1      -4  -32    2 o    3.302000      0.8378000       3.491000 1.225000       3.114000       1.143000      0.3769000       1.676000
  1 1 1      -4  -32    3 o    3.219000      0.8193000       3.129000 1.210000       3.310000       1.104000     -0.1810000       1.639000
  1 1 1      -4  -32    4 o    3.854000      0.7878000       3.658000 1.176000       4.051000       1.049000     -0.3923000       1.576000
  1 1 1      -4  -32    5 o    3.372000      0.7836000       3.236000 1.167000       3.509000       1.046000     -0.2727000       1.567000
  1 1 1      -4  -32    6 o    2.596000      0.7548000       2.535000 1.100000       2.658000       1.034000     -0.1232000       1.510000
  1 1 1      -4  -32    7 o    3.644000      0.7577000       2.995000 1.169000       4.292000      0.9645000      -1.297000       1.515000
  1 1 1      -4  -32    8 f    2.781000      0.7608000       3.031000 1.126000       2.531000       1.023000      0.4993000       1.522000
  1 1 1      -4  -32    9 o    3.031000      0.7337000       3.635000 1.096000       2.426000      0.9763000       1.209000       1.467000
  1 1 1      -4  -32   10 o    2.198000      0.6476000       1.598000 0.7925000       2.798000       1.024000      -1.201000       1.295000
  1 1 1      -4  -32   11 o    2.566000      0.7498000       2.921000 1.148000       2.212000      0.9654000      0.7086000       1.500000
  1 1 1      -4  -32   12 o    2.141000      0.6563000       2.122000 0.9370000       2.160000      0.9193000     -0.3796000E-01   1.313000
  1 1 1      -4  -32   13 o    2.024000      0.6284000       1.892000 0.8821000       2.155000      0.8953000     -0.2630000       1.257000
  1 1 1      -4  -32   14 o    3.740000      0.7346000       3.885000 1.056000       3.596000       1.022000      0.2890000       1.469000
  1 1 1      -4  -32   15 o    3.344000      0.6902000       3.895000 0.9643000       2.792000      0.9878000       1.104000       1.380000
  1 1 1      -4  -31    1 o    3.522000      0.8169000       3.541000 1.176000       3.502000       1.134000      0.3913000E-01   1.634000
  1 1 1      -4  -31    2 o    3.023000      0.7752000       2.705000 1.086000       3.341000       1.106000     -0.6360000       1.550000
  1 1 1      -4  -31    3 o    2.941000      0.7423000       3.521000 1.098000       2.361000      0.9990000       1.160000       1.485000
  1 1 1      -4  -31    4 o    3.863000      0.7157000       4.476000 0.9537000       3.249000       1.067000       1.227000       1.431000
  1 1 1      -4  -31    5 o    2.787000      0.7208000       2.161000 0.9689000       3.413000       1.068000      -1.252000       1.442000
  1 1 1      -4  -31    6 o    4.271000      0.7878000       4.253000 1.215000       4.288000       1.003000     -0.3470000E-01   1.576000
  1 1 1      -4  -31    7 f    3.877000      0.6808000       4.150000 0.9770000       3.604000      0.9483000      0.5461000       1.362000
  1 1 1      -4  -31    8 o    2.964000      0.7249000       3.379000 1.078000       2.548000      0.9698000      0.8309000       1.450000
  1 1 1      -4  -31    9 o    2.618000      0.7053000       3.419000 1.128000       1.817000      0.8467000       1.602000       1.411000
  1 1 1      -4  -31   10 o    2.609000       1.072000       2.609000 1.072000                  ?              ?              ?              ?
  1 1 1      -4  -31   11 o    3.107000      0.6544000       2.137000 0.9565000       4.077000      0.8934000      -1.940000       1.309000
  1 1 1      -4  -31   12 o    2.928000       1.020000                  ?       ?   2.928000       1.020000                  ?              ?
  1 1 1      -4  -31   13 o    3.263000      0.6398000       4.474000 0.9320000       2.051000      0.8767000       2.424000       1.280000
  1 1 1      -4  -31   14 o    2.655000      0.7083000       2.902000 1.032000       2.408000      0.9706000      0.4943000       1.417000
  1 1 1      -4  -31   15 o    2.519000      0.6892000       2.790000 1.019000       2.249000      0.9280000      0.5408000       1.378000
  1 1 1      -4  -31   16 o    3.576000      0.6826000       3.364000 1.029000       3.788000      0.8970000     -0.4237000       1.365000
  1 1 1      -4  -31   17 o    3.725000      0.7056000       3.951000 0.9868000       3.498000       1.009000      0.4537000       1.411000
  1 1 1      -4  -31   18 o    2.401000       1.113000       2.401000 1.113000                  ?              ?              ?              ?
  1 1 1      -4  -30    1 o    1.985000      0.6293000       2.184000 0.9479000       1.785000      0.8279000      0.3990000       1.259000
  1 1 1      -4  -30    2 o    2.185000      0.6433000       2.649000 1.005000       1.721000      0.8027000      0.9280000       1.287000
  1 1 1      -4  -30    3 o    2.317000      0.6553000       2.726000 1.003000       1.907000      0.8437000      0.8190000       1.311000
  1 1 1      -4  -30    4 o    2.889000      0.7067000       3.311000 1.033000       2.468000      0.9642000      0.8426000       1.413000
  1 1 1      -4  -30    5 o    5.181000      0.5597000       5.304000 0.8258000       5.057000      0.7558000      0.2476000       1.119000
  1 1 1      -4  -30    6 f    2.444000      0.6500000       2.081000 0.9069000       2.807000      0.9313000     -0.7253000       1.300000
  1 1 1      -4  -30    7 o    2.577000      0.6598000       2.058000 0.9157000       3.096000      0.9502000      -1.038000       1.320000
  1 1 1      -4  -30    8 o    2.933000      0.6929000       3.355000 1.021000       2.511000      0.9364000      0.8446000       1.386000
  1 1 1      -4  -30    9 o    2.201000      0.6387000       2.658000 1.001000       1.743000      0.7939000      0.9155000       1.277000
  1 1 1      -4  -30   10 f    4.726000      0.5861000       4.682000 0.9432000       4.770000      0.6959000     -0.8812000E-01   1.172000
  1 1 1      -4  -30   11 o    2.152000      0.6507000       2.279000 0.9736000       2.026000      0.8635000      0.2530000       1.301000
  1 1 1      -4  -30   12 o    4.366000      0.5687000       3.007000 0.9825000       5.725000      0.5732000      -2.718000       1.137000
  1 1 1      -4  -30   13 o    3.328000      0.6909000       4.159000 1.026000       2.497000      0.9255000       1.663000       1.382000
  1 1 1      -4  -30   14 o    2.608000      0.6741000       2.831000 1.003000       2.385000      0.9013000      0.4455000       1.348000
  1 1 1      -4  -30   15 o    3.058000      0.7175000       2.866000 1.035000       3.249000      0.9941000     -0.3838000       1.435000
  1 1 1      -4  -30   16 o    2.352000      0.6601000       2.659000 1.001000       2.045000      0.8603000      0.6139000       1.320000
  1 1 1      -4  -30   17 o    2.133000      0.6335000       2.270000 0.9274000       1.996000      0.8633000      0.2734000       1.267000
  1 1 1      -4  -30   18 o    2.940000      0.6771000       2.725000 0.9751000       3.155000      0.9397000     -0.4302000       1.354000
  1 1 1      -4  -30   19 o    2.914000      0.6979000       2.891000 0.9752000       2.936000      0.9987000     -0.4477000E-01   1.396000
  1 1 1      -4  -30   20 o    3.233000       1.290000       3.233000 1.290000                  ?              ?              ?              ?
  1 1 1      -4  -29    1 o    4.537000       1.072000       4.383000 1.474000       4.692000       1.556000     -0.3086000       2.143000
  1 1 1      -4  -29    2 o    3.343000       1.008000       2.942000 1.317000       3.744000       1.527000     -0.8016000       2.017000
  1 1 1      -4  -29    3 o    3.196000      0.9420000       3.818000 1.434000       2.574000       1.221000       1.244000       1.884000
  1 1 1      -4  -29    4 o    4.128000       1.035000       3.489000 1.394000       4.766000       1.530000      -1.277000       2.070000
  1 1 1      -4  -29    5 f    3.866000      0.9824000       3.098000 1.317000       4.634000       1.458000      -1.536000       1.965000
  1 1 1      -4  -29    6 o    2.345000      0.7851000       2.455000 1.147000       2.235000       1.073000      0.2202000       1.570000
  1 1 1      -4  -29    7 o    3.956000      0.9833000       4.134000 1.389000       3.779000       1.392000      0.3553000       1.967000
  1 1 1      -4  -29    8 o    3.442000      0.9222000       2.853000 1.215000       4.030000       1.388000      -1.176000       1.844000
  1 1 1      -4  -29    9 o    3.161000      0.6545000       2.440000 1.104000       3.882000      0.7042000      -1.442000       1.309000
  1 1 1      -4  -29   10 o    1.609000      0.5201000       1.934000 0.8336000       1.284000      0.6222000      0.6493000       1.040000
  1 1 1      -4  -29   11 o    3.734000      0.5976000       2.824000 0.9991000       4.644000      0.6561000      -1.820000       1.195000
  1 1 1      -4  -29   12 f    6.422000      0.3871000       5.859000 0.6493000       6.984000      0.4218000      -1.125000      0.7743000
  1 1 1      -4  -29   13 o    2.872000      0.6629000       3.099000 0.9891000       2.645000      0.8828000      0.4532000       1.326000
  1 1 1      -4  -29   14 o    2.293000      0.6133000       1.991000 0.8696000       2.594000      0.8651000     -0.6028000       1.227000
  1 1 1      -4  -29   15 o    1.731000      0.5628000       1.921000 0.8629000       1.542000      0.7226000      0.3790000       1.126000
  1 1 1      -4  -29   16 o    3.138000      0.6053000       2.124000 0.8993000       4.151000      0.8105000      -2.027000       1.211000
  1 1 1      -4  -29   17 o    2.803000      0.6669000       2.610000 0.9642000       2.997000      0.9216000     -0.3871000       1.334000
  1 1 1      -4  -29   18 o    5.523000      0.4338000       5.554000 0.6581000       5.492000      0.5655000      0.6157000E-01  0.8677000
  1 1 1      -4  -29   19 o    4.564000      0.5391000       4.769000 0.7582000       4.359000      0.7666000      0.4099000       1.078000
  1 1 1      -4  -29   20 o    1.940000      0.5826000       2.273000 0.8960000       1.608000      0.7450000      0.6651000       1.165000
  1 1 1      -4  -29   21 o    2.603000      0.5855000       3.709000 0.9211000       1.497000      0.7229000       2.212000       1.171000
  1 1 1      -4  -28    1 o    3.315000      0.6504000       2.646000 0.9682000       3.985000      0.8688000      -1.340000       1.301000
  1 1 1      -4  -28    2 o    3.600000      0.5834000       3.611000 0.8290000       3.590000      0.8212000      0.2088000E-01   1.167000
  1 1 1      -4  -28    3 o    2.484000      0.6429000       2.693000 0.9337000       2.274000      0.8840000      0.4188000       1.286000
  1 1 1      -4  -28    4 o    3.646000      0.6359000       3.457000 0.9432000       3.835000      0.8532000     -0.3782000       1.272000
  1 1 1      -4  -28    5 o    3.514000      0.5811000       3.523000 0.8826000       3.504000      0.7561000      0.1896000E-01   1.162000
  1 1 1      -4  -28    6 o    3.204000      0.5918000       2.721000 0.9563000       3.687000      0.6975000     -0.9661000       1.184000
  1 1 1      -4  -28    7 f    4.308000      0.4944000       4.999000 0.6987000       3.616000      0.6998000       1.384000      0.9889000
  1 1 1      -4  -28    8 o    5.851000      0.3922000       5.613000 0.6427000       6.089000      0.4496000     -0.4758000      0.7844000
  1 1 1      -4  -28    9 o    3.925000      0.5323000       4.112000 0.8223000       3.737000      0.6762000      0.3747000       1.065000
  1 1 1      -4  -28   10 o    2.194000      0.5762000       1.955000 0.8359000       2.433000      0.7933000     -0.4779000       1.152000
  1 1 1      -4  -28   11 o    4.235000      0.5148000       4.925000 0.6619000       3.544000      0.7886000       1.381000       1.030000
  1 1 1      -4  -28   12 o    4.570000      0.3843000       5.399000 0.5834000       3.741000      0.5004000       1.658000      0.7686000
  1 1 1      -4  -28   13 o    4.274000      0.5318000       4.587000 0.5128000       3.962000      0.9319000      0.6250000       1.064000
  1 1 1      -4  -28   14 o    3.964000      0.6865000       4.214000 0.9021000       3.713000       1.035000      0.5005000       1.373000
  1 1 1      -4  -28   15 o    1.844000      0.6002000       1.915000 0.8647000       1.772000      0.8327000      0.1432000       1.200000
  1 1 1      -4  -28   16 o    2.439000      0.7038000       2.243000 0.9430000       2.634000       1.045000     -0.3908000       1.408000
  1 1 1      -4  -28   17 o    3.583000      0.7297000       3.851000 0.9438000       3.315000       1.113000      0.5350000       1.459000
  1 1 1      -4  -28   18 o    4.158000      0.5422000       4.951000 0.7419000       3.365000      0.7908000       1.587000       1.084000
  1 1 1      -4  -28   19 o    2.902000      0.6626000       3.035000 0.9691000       2.768000      0.9039000      0.2671000       1.325000
  1 1 1      -4  -28   20 o    3.580000      0.6419000       3.840000 0.8897000       3.321000      0.9253000      0.5199000       1.284000
  1 1 1      -4  -28   21 o    1.935000      0.5980000       1.767000 0.8009000       2.104000      0.8883000     -0.3366000       1.196000
  1 1 1      -4  -28   22 o    1.898000      0.5937000       1.823000 0.8216000       1.972000      0.8574000     -0.1489000       1.187000
  1 1 1      -4  -28   23 o    2.581000      0.6112000       3.450000 0.9274000       1.711000      0.7963000       1.739000       1.222000
  1 1 1      -4  -27    1 o    5.864000      0.5042000       5.513000 0.7629000       6.215000      0.6594000     -0.7022000       1.008000
  1 1 1      -4  -27    2 f    2.336000      0.6491000       2.531000 0.9500000       2.140000      0.8847000      0.3915000       1.298000
  1 1 1      -4  -27    3 o    4.461000      0.5995000       3.877000 0.9614000       5.046000      0.7166000      -1.169000       1.199000
  1 1 1      -4  -27    4 o    6.511000      0.3829000       5.863000 0.5895000       7.158000      0.4887000      -1.295000      0.7658000
  1 1 1      -4  -27    5 o    2.359000      0.5901000       3.344000 0.9743000       1.375000      0.6661000       1.969000       1.180000
  1 1 1      -4  -27    6 o    2.231000      0.6087000       1.980000 0.8772000       2.481000      0.8442000     -0.5005000       1.217000
  1 1 1      -4  -27    7 o    1.917000      0.5801000       2.273000 0.9302000       1.561000      0.6934000      0.7119000       1.160000
  1 1 1      -4  -27    8 o    4.591000      0.5192000       4.071000 0.8974000       5.111000      0.5227000      -1.040000       1.038000
  1 1 1      -4  -27    9 o    5.362000      0.4529000       4.759000 0.7864000       5.966000      0.4495000      -1.207000      0.9058000
  1 1 1      -4  -27   10 o    3.250000      0.6909000       3.523000 1.094000       2.977000      0.8443000      0.5457000       1.382000
  1 1 1      -4  -27   11 o    4.681000      0.9775000       4.681000 0.9775000                  ?              ?              ?              ?
  1 1 1      -4  -27   12 o    2.903000      0.6987000       3.175000 1.142000       2.631000      0.8047000      0.5448000       1.397000
  1 1 1      -4  -27   13 o    2.492000      0.8757000                  ?       ?   2.492000      0.8757000                  ?              ?
  1 1 1      -4  -27   14 o    3.653000      0.4836000       3.127000 0.7986000       4.179000      0.5454000      -1.052000      0.9671000
  1 1 1      -4  -27   15 o    3.558000      0.4638000       3.260000 0.7193000       3.857000      0.5856000     -0.5970000      0.9276000
  1 1 1      -4  -27   16 o    5.187000      0.3671000       5.513000 0.5194000       4.861000      0.5190000      0.6514000      0.7342000
  1 1 1      -4  -27   17 o    3.201000      0.5753000       2.621000 0.8910000       3.781000      0.7281000      -1.160000       1.151000
  1 1 1      -4  -27   18 o    2.116000      0.5918000       1.933000 0.8248000       2.300000      0.8490000     -0.3668000       1.184000
  1 1 1      -4  -27   19 o    2.336000      0.5614000       2.014000 0.8279000       2.657000      0.7586000     -0.6430000       1.123000
  1 1 1      -4  -27   20 o    4.315000      0.6528000       4.216000 0.7617000       4.415000       1.060000     -0.1996000       1.306000
  1 1 1      -4  -27   21 f    4.949000      0.6429000       3.953000 0.9426000       5.946000      0.8746000      -1.992000       1.286000
  1 1 1      -4  -27   22 o    2.452000      0.7082000       1.948000 0.8717000       2.955000       1.116000      -1.007000       1.416000
  1 1 1      -4  -27   23 o    3.328000      0.6950000       3.854000 0.9951000       2.802000      0.9705000       1.052000       1.390000
  1 1 1      -4  -27   24 o    2.564000      0.6660000       2.646000 0.9357000       2.481000      0.9481000      0.1651000       1.332000
  1 1 1      -4  -26    1 o    4.336000      0.5089000       3.674000 0.7801000       4.998000      0.6538000      -1.325000       1.018000
  1 1 1      -4  -26    2 o    4.073000      0.5130000       4.164000 0.7057000       3.981000      0.7449000      0.1832000       1.026000
  1 1 1      -4  -26    3 o    2.894000      0.6168000       3.326000 0.8919000       2.463000      0.8522000      0.8631000       1.234000
  1 1 1      -4  -26    4 o    3.612000      0.5800000       3.300000 0.8994000       3.924000      0.7325000     -0.6237000       1.160000
  1 1 1      -4  -26    5 o    5.949000      0.3566000       5.332000 0.5781000       6.565000      0.4177000      -1.234000      0.7132000
  1 1 1      -4  -26    6 o    2.705000      0.5962000       2.355000 0.9265000       3.054000      0.7507000     -0.6997000       1.192000
  1 1 1      -4  -26    7 o    2.715000      0.5955000       2.378000 0.9141000       3.053000      0.7636000     -0.6748000       1.191000
  1 1 1      -4  -26    8 o    3.461000      0.5280000       2.869000 0.8859000       4.052000      0.5746000      -1.183000       1.056000
  1 1 1      -4  -26    9 f    4.545000      0.3941000       4.747000 0.6164000       4.344000      0.4912000      0.4026000      0.7882000
  1 1 1      -4  -26   10 o    9.339000      0.2563000       9.540000 0.3898000       9.138000      0.3330000      0.4019000      0.5127000
  1 1 1      -4  -26   11 o    4.415000      0.4150000       4.055000 0.7110000       4.774000      0.4282000     -0.7191000      0.8300000
  1 1 1      -4  -26   12 o    2.589000      0.5608000       2.800000 0.8229000       2.377000      0.7622000      0.4226000       1.122000
  1 1 1      -4  -26   13 o    2.170000      0.4612000       2.846000 0.6531000       1.493000      0.6513000       1.353000      0.9224000
  1 1 1      -4  -26   14 o    1.305000      0.4354000       1.464000 0.6727000       1.146000      0.5529000      0.3178000      0.8708000
  1 1 1      -4  -26   15 o    2.520000      0.5967000       2.191000 1.007000       2.850000      0.6398000     -0.6588000       1.193000
  1 1 1      -4  -26   16 o    4.696000      0.6666000       4.109000 1.147000       5.283000      0.6799000      -1.174000       1.333000
  1 1 1      -4  -26   17 o    3.323000      0.7242000       3.277000 1.154000       3.369000      0.8755000     -0.9170000E-01   1.448000
  1 1 1      -4  -26   18 o    2.997000      0.7291000       2.747000 1.145000       3.248000      0.9035000     -0.5010000       1.458000
  1 1 1      -4  -26   19 o    3.626000      0.7137000       2.755000 1.174000       4.497000      0.8118000      -1.743000       1.427000
  1 1 1      -4  -26   20 o    3.919000      0.5323000       4.146000 0.7125000       3.692000      0.7912000      0.4537000       1.065000
  1 1 1      -4  -26   21 o    1.716000      0.5350000       1.787000 0.7710000       1.644000      0.7418000      0.1430000       1.070000
  1 1 1      -4  -26   22 o    3.033000      0.6221000       2.364000 0.9059000       3.702000      0.8529000      -1.338000       1.244000
  1 1 1      -4  -26   23 o    1.624000      0.5388000       1.728000 0.7934000       1.521000      0.7293000      0.2069000       1.078000
  1 1 1      -4  -26   24 o    2.608000      0.6774000       2.975000 0.9417000       2.241000      0.9740000      0.7344000       1.355000
  1 1 1      -4  -26   25 o    4.375000      0.7412000       5.186000 0.8604000       3.565000       1.207000       1.620000       1.482000
  1 1 1      -4  -25    1 o    8.344000      0.2918000       8.422000 0.4158000       8.266000      0.4095000      0.1554000      0.5836000
  1 1 1      -4  -25    2 o    15.27000      0.3343000       15.77000 0.4842000       14.77000      0.4612000      0.9914000      0.6687000
  1 1 1      -4  -25    3 o    10.09000      0.2834000       9.925000 0.4050000       10.25000      0.3965000     -0.3294000      0.5668000
  1 1 1      -4  -25    4 o    3.940000      0.4129000       3.628000 0.6679000       4.251000      0.4857000     -0.6235000      0.8258000
  1 1 1      -4  -25    5 o    3.852000      0.4601000       4.190000 0.6837000       3.515000      0.6157000      0.6751000      0.9201000
  1 1 1      -4  -25    6 o    7.613000      0.2799000       7.350000 0.4451000       7.876000      0.3396000     -0.5258000      0.5599000
  1 1 1      -4  -25    7 o    7.372000      0.2590000       7.273000 0.3973000       7.471000      0.3325000     -0.1984000      0.5180000
  1 1 1      -4  -25    8 o    7.770000      0.2492000       8.222000 0.3713000       7.319000      0.3325000      0.9024000      0.4984000
  1 1 1      -4  -25    9 o    5.550000      0.3905000       5.491000 0.6805000       5.609000      0.3834000     -0.1184000      0.7811000
  1 1 1      -4  -25   10 o    7.855000      0.2527000       7.628000 0.3950000       8.083000      0.3153000     -0.4546000      0.5055000
  1 1 1      -4  -25   11 o    7.616000      0.2501000       7.947000 0.3767000       7.286000      0.3291000      0.6605000      0.5002000
  1 1 1      -4  -25   12 o    1.372000      0.4489000       1.497000 0.6792000       1.247000      0.5870000      0.2492000      0.8977000
  1 1 1      -4  -25   13 o    2.179000      0.5339000       1.911000 0.7701000       2.448000      0.7397000     -0.5365000       1.068000
  1 1 1      -4  -25   14 o    4.429000      0.3561000       4.371000 0.5227000       4.488000      0.4839000     -0.1172000      0.7123000
  1 1 1      -4  -25   15 o    4.282000      0.3549000       4.242000 0.5362000       4.322000      0.4652000     -0.7965000E-01  0.7099000
  1 1 1      -4  -25   16 o    3.950000      0.4004000       3.995000 0.5670000       3.905000      0.5656000      0.8914000E-01  0.8008000
  1 1 1      -4  -25   17 o    2.935000      0.4901000       3.736000 0.6086000       2.135000      0.7683000       1.601000      0.9802000
  1 1 1      -4  -25   18 o    3.078000      0.5393000       3.446000 0.7122000       2.711000      0.8100000      0.7346000       1.079000
  1 1 1      -4  -25   19 o    1.762000      0.5319000       1.745000 0.7489000       1.779000      0.7557000     -0.3351000E-01   1.064000
  1 1 1      -4  -25   20 o    2.498000      0.5180000       2.230000 0.6953000       2.766000      0.7681000     -0.5365000       1.036000
  1 1 1      -4  -25   21 o    2.242000      0.6839000       2.686000 1.100000       1.799000      0.8130000      0.8867000       1.368000
  1 1 1      -4  -25   22 o    3.536000      0.7525000       4.508000 1.158000       2.564000      0.9619000       1.945000       1.505000
  1 1 1      -4  -25   23 o    3.192000      0.7971000       4.284000 1.301000       2.099000      0.9220000       2.185000       1.594000
  1 1 1      -4  -25   24 o    2.263000      0.6181000       2.591000 0.9116000       1.935000      0.8349000      0.6565000       1.236000
  1 1 1      -4  -25   25 f    5.087000      0.4432000       5.519000 0.5723000       4.654000      0.6770000      0.8660000      0.8865000
  1 1 1      -4  -25   26 o    4.334000      0.5620000       5.625000 0.6068000       3.043000      0.9461000       2.581000       1.124000
  1 1 1      -4  -25   27 o    3.261000      0.7019000       3.977000 0.8738000       2.545000       1.099000       1.432000       1.404000
  1 1 1      -4  -24    1 o    3.808000      0.4017000       3.810000 0.5878000       3.806000      0.5476000      0.3899000E-02  0.8033000
  1 1 1      -4  -24    2 o    2.506000      0.5159000       2.415000 0.7818000       2.597000      0.6733000     -0.1817000       1.032000
  1 1 1      -4  -24    3 f    5.722000      0.2918000       5.424000 0.4503000       6.020000      0.3712000     -0.5960000      0.5836000
  1 1 1      -4  -24    4 f    1.621000      0.4951000       1.889000 0.7752000       1.352000      0.6162000      0.5368000      0.9902000
  1 1 1      -4  -24    5 o    4.089000      0.3858000       4.402000 0.5926000       3.776000      0.4941000      0.6258000      0.7715000
  1 1 1      -4  -24    6 o    5.248000      0.3101000       5.144000 0.5019000       5.352000      0.3642000     -0.2078000      0.6201000
  1 1 1      -4  -24    7 o    6.727000      0.2455000       6.305000 0.3957000       7.148000      0.2907000     -0.8430000      0.4910000
  1 1 1      -4  -24    8 o    6.225000      0.2677000       5.803000 0.4274000       6.646000      0.3225000     -0.8432000      0.5354000
  1 1 1      -4  -24    9 o    5.731000      0.2701000       6.015000 0.4082000       5.446000      0.3539000      0.5694000      0.5403000
  1 1 1      -4  -24   10 o    6.297000      0.2465000       6.234000 0.3763000       6.361000      0.3185000     -0.1273000      0.4930000
  1 1 1      -4  -24   11 o    3.433000      0.3994000       3.834000 0.5609000       3.031000      0.5688000      0.8029000      0.7988000
  1 1 1      -4  -24   12 o    7.167000      0.2141000       7.629000 0.3318000       6.704000      0.2708000      0.9253000      0.4283000
  1 1 1      -4  -24   13 o    3.388000      0.3840000       3.927000 0.4856000       2.850000      0.5950000       1.076000      0.7680000
  1 1 1      -4  -24   14 o    4.205000      0.3251000       3.631000 0.5106000       4.780000      0.4026000      -1.148000      0.6502000
  1 1 1      -4  -24   15 o    4.156000      0.3214000       4.075000 0.4721000       4.238000      0.4363000     -0.1630000      0.6428000
  1 1 1      -4  -24   16 o    1.814000      0.4869000       1.859000 0.6805000       1.769000      0.6966000      0.9016000E-01  0.9738000
  1 1 1      -4  -24   17 o    2.849000      0.4641000       2.390000 0.6887000       3.308000      0.6223000     -0.9181000      0.9283000
  1 1 1      -4  -24   18 o    1.868000      0.5108000       1.880000 0.7084000       1.856000      0.7360000      0.2438000E-01   1.022000
  1 1 1      -4  -24   19 o    3.441000      0.4673000       3.505000 0.6199000       3.377000      0.6993000      0.1286000      0.9345000
  1 1 1      -4  -24   20 o    8.702000      0.2504000       8.779000 0.3485000       8.626000      0.3597000      0.1536000      0.5008000
  1 1 1      -4  -24   21 o    4.243000      0.4083000       4.066000 0.5741000       4.420000      0.5808000     -0.3539000      0.8166000
  1 1 1      -4  -24   22 o    5.602000      0.3514000       5.878000 0.4668000       5.326000      0.5255000      0.5515000      0.7029000
  1 1 1      -4  -24   23 o    1.993000      0.5675000       2.185000 0.8268000       1.801000      0.7777000      0.3832000       1.135000
  1 1 1      -4  -24   24 o    3.200000      0.8286000       3.621000 1.306000       2.779000       1.020000      0.8419000       1.657000
  1 1 1      -4  -24   25 o    4.814000      0.7602000       5.153000 1.137000       4.475000       1.010000      0.6775000       1.520000
  1 1 1      -4  -24   26 o    2.388000      0.7178000       2.180000 1.005000       2.596000       1.025000     -0.4156000       1.436000
  1 1 1      -4  -24   27 o    2.458000      0.6398000       1.978000 0.8416000       2.938000      0.9639000     -0.9594000       1.280000
  1 1 1      -4  -24   28 o    2.101000      0.6231000       2.189000 0.8868000       2.013000      0.8755000      0.1766000       1.246000
  1 1 1      -4  -23    1 o    3.175000      0.4630000       3.795000 0.5754000       2.555000      0.7255000       1.241000      0.9260000
  1 1 1      -4  -23    2 f    3.150000      0.4450000       2.529000 0.7440000       3.771000      0.4883000      -1.242000      0.8899000
  1 1 1      -4  -23    3 o    5.766000      0.2691000       5.791000 0.4089000       5.742000      0.3499000      0.4955000E-01  0.5382000
  1 1 1      -4  -23    4 o    5.811000      0.2729000       5.725000 0.4330000       5.897000      0.3324000     -0.1724000      0.5459000
  1 1 1      -4  -23    5 o    9.532000      0.2263000       9.449000 0.3494000       9.615000      0.2876000     -0.1650000      0.4525000
  1 1 1      -4  -23    6 o    7.341000      0.2239000       7.318000 0.3487000       7.364000      0.2808000     -0.4544000E-01  0.4477000
  1 1 1      -4  -23    7 o    2.021000      0.4903000       2.020000 0.7432000       2.021000      0.6397000     -0.2539000E-03  0.9806000
  1 1 1      -4  -23    8 o    4.581000      0.3134000       4.969000 0.4726000       4.194000      0.4118000      0.7751000      0.6268000
  1 1 1      -4  -23    9 o    8.758000      0.2049000       8.928000 0.3058000       8.588000      0.2727000      0.3396000      0.4098000
  1 1 1      -4  -23   10 o    7.564000      0.2131000       7.459000 0.3193000       7.670000      0.2825000     -0.2110000      0.4263000
  1 1 1      -4  -23   11 o    5.678000      0.2376000       5.836000 0.3428000       5.520000      0.3291000      0.3163000      0.4752000
  1 1 1      -4  -23   12 o    5.402000      0.3642000       5.402000 0.3642000                  ?              ?              ?              ?
  1 1 1      -4  -23   13 o    7.509000      0.2230000       7.251000 0.3310000       7.768000      0.2988000     -0.5170000      0.4459000
  1 1 1      -4  -23   14 o    2.014000      0.6930000                  ?       ?   2.014000      0.6930000                  ?              ?
  1 1 1      -4  -23   15 o    4.473000      0.2855000       4.285000 0.4115000       4.660000      0.3960000     -0.3750000      0.5711000
  1 1 1      -4  -23   16 o    2.396000      0.4836000       2.223000 0.6830000       2.569000      0.6849000     -0.3465000      0.9673000
  1 1 1      -4  -23   17 o    2.938000      0.4373000       3.236000 0.5381000       2.639000      0.6894000      0.5975000      0.8746000
  1 1 1      -4  -23   18 o    2.723000      0.4723000       3.251000 0.5746000       2.196000      0.7497000       1.056000      0.9446000
  1 1 1      -4  -23   19 o    2.383000      0.5068000       2.754000 0.6722000       2.012000      0.7586000      0.7416000       1.014000
  1 1 1      -4  -23   20 o    2.550000      0.5255000       2.405000 0.7181000       2.694000      0.7675000     -0.2895000       1.051000
  1 1 1      -4  -23   21 o    1.789000      0.5160000       1.794000 0.7164000       1.784000      0.7429000      0.1002000E-01   1.032000
  1 1 1      -4  -23   22 o    1.717000      0.5164000       1.799000 0.7319000       1.635000      0.7287000      0.1641000       1.033000
  1 1 1      -4  -23   23 f    4.213000      0.4857000       4.769000 0.5698000       3.657000      0.7867000       1.112000      0.9714000
  1 1 1      -4  -23   24 o    1.874000      0.5635000       1.925000 0.8062000       1.824000      0.7875000      0.1006000       1.127000
  1 1 1      -4  -23   25 o    8.090000      0.3254000       8.596000 0.4702000       7.585000      0.4501000       1.011000      0.6509000
  1 1 1      -4  -23   26 o    2.618000      0.5404000       3.816000 0.8351000       1.421000      0.6861000       2.396000       1.081000
  1 1 1      -4  -23   27 o    2.579000      0.7659000       2.823000 1.151000       2.335000       1.010000      0.4883000       1.532000
  1 1 1      -4  -23   28 o    3.939000      0.7636000       3.478000 1.180000       4.400000      0.9697000     -0.9218000       1.527000
  1 1 1      -4  -23   29 o    2.313000      0.6308000       2.134000 0.8885000       2.493000      0.8955000     -0.3593000       1.262000
  1 1 1      -4  -22    1 o    1.385000      0.4390000       1.542000 0.6611000       1.227000      0.5778000      0.3146000      0.8780000
  1 1 1      -4  -22    2 o    6.135000      0.2538000       6.159000 0.3736000       6.111000      0.3437000      0.4834000E-01  0.5076000
  1 1 1      -4  -22    3 o    1.944000      0.4910000       2.080000 0.7377000       1.808000      0.6482000      0.2722000      0.9820000
  1 1 1      -4  -22    4 o    7.342000      0.2297000       7.646000 0.3446000       7.038000      0.3039000      0.6075000      0.4594000
  1 1 1      -4  -22    5 o    6.351000      0.2252000       6.478000 0.3457000       6.224000      0.2887000      0.2544000      0.4503000
  1 1 1      -4  -22    6 o    6.315000      0.2244000       6.363000 0.3448000       6.268000      0.2874000      0.9484000E-01  0.4489000
  1 1 1      -4  -22    7 o    7.184000      0.2812000       7.137000 0.4861000       7.231000      0.2828000     -0.9422000E-01  0.5624000
  1 1 1      -4  -22    8 o    5.946000      0.2310000       6.279000 0.3384000       5.613000      0.3145000      0.6659000      0.4620000
  1 1 1      -4  -22    9 o    6.607000      0.2106000       6.372000 0.3109000       6.842000      0.2840000     -0.4695000      0.4211000
  1 1 1      -4  -22   10 o    4.473000      0.2455000       4.355000 0.3732000       4.592000      0.3191000     -0.2373000      0.4910000
  1 1 1      -4  -22   11 o    3.423000      0.3488000       3.412000 0.5164000       3.433000      0.4690000     -0.2129000E-01  0.6976000
  1 1 1      -4  -22   12 o    7.120000      0.2020000       7.710000 0.2959000       6.529000      0.2752000       1.181000      0.4041000
  1 1 1      -4  -22   13 o    11.49000      0.2134000       11.31000 0.3057000       11.66000      0.2979000     -0.3504000      0.4268000
  1 1 1      -4  -22   14 o    4.991000      0.3677000       5.011000 0.6329000       4.972000      0.3745000      0.3943000E-01  0.7354000
  1 1 1      -4  -22   15 o    5.704000      0.2298000       5.855000 0.3217000       5.553000      0.3281000      0.3027000      0.4595000
  1 1 1      -4  -22   16 o    4.817000      0.2785000       5.075000 0.3685000       4.559000      0.4177000      0.5153000      0.5571000
  1 1 1      -4  -22   17 f    6.224000      0.2405000       6.159000 0.3260000       6.288000      0.3537000     -0.1292000      0.4810000
  1 1 1      -4  -22   18 o    1.691000      0.4791000       1.346000 0.6018000       2.037000      0.7457000     -0.6916000      0.9583000
  1 1 1      -4  -22   19 o    7.070000      0.2441000       6.948000 0.3387000       7.192000      0.3517000     -0.2436000      0.4883000
  1 1 1      -4  -22   20 o    2.582000      0.4974000       2.154000 0.7006000       3.010000      0.7062000     -0.8556000      0.9948000
  1 1 1      -4  -22   21 o    5.138000      0.3263000       5.436000 0.4389000       4.840000      0.4831000      0.5964000      0.6527000
  1 1 1      -4  -22   22 o    2.212000      0.5295000       2.625000 0.7397000       1.799000      0.7577000      0.8259000       1.059000
  1 1 1      -4  -22   23 o    2.532000      0.5359000       1.888000 0.7502000       3.176000      0.7655000      -1.288000       1.072000
  1 1 1      -4  -22   24 o    4.924000      0.3904000       5.181000 0.5023000       4.667000      0.5978000      0.5142000      0.7809000
  1 1 1      -4  -22   25 o    8.500000      0.2814000       8.716000 0.3775000       8.283000      0.4174000      0.4335000      0.5627000
  1 1 1      -4  -22   26 o    3.248000      0.6086000       3.128000 0.8395000       3.368000      0.8814000     -0.2402000       1.217000
  1 1 1      -4  -22   27 o    3.821000      0.5813000       4.150000 0.7331000       3.491000      0.9024000      0.6590000       1.163000
  1 1 1      -4  -22   28 o    5.645000      0.4160000       6.101000 0.5386000       5.189000      0.6341000      0.9125000      0.8320000
  1 1 1      -4  -22   29 o    2.288000      0.6937000       2.595000 1.111000       1.981000      0.8306000      0.6142000       1.387000
  1 1 1      -4  -22   30 o    2.730000      0.7814000       2.994000 1.166000       2.465000       1.040000      0.5287000       1.563000
  1 1 1      -4  -21    1 o    3.752000      0.3118000       3.539000 0.4898000       3.964000      0.3859000     -0.4254000      0.6235000
  1 1 1      -4  -21    2 o    2.488000      0.4112000       2.116000 0.6503000       2.859000      0.5035000     -0.7434000      0.8224000
  1 1 1      -4  -21    3 o    6.061000      0.2335000       6.012000 0.3542000       6.111000      0.3043000     -0.9909000E-01  0.4670000
  1 1 1      -4  -21    4 o    8.433000      0.1974000       8.409000 0.2974000       8.456000      0.2597000     -0.4700000E-01  0.3949000
  1 1 1      -4  -21    5 o    4.429000      0.2454000       4.244000 0.3931000       4.614000      0.2939000     -0.3697000      0.4908000
  1 1 1      -4  -21    6 o    2.282000      0.4330000       2.228000 0.6773000       2.335000      0.5397000     -0.1067000      0.8660000
  1 1 1      -4  -21    7 o    8.815000      0.1950000       8.594000 0.2910000       9.035000      0.2596000     -0.4411000      0.3899000
  1 1 1      -4  -21    8 o    5.027000      0.2116000       4.932000 0.3175000       5.122000      0.2799000     -0.1897000      0.4233000
  1 1 1      -4  -21    9 o    4.535000      0.2233000       4.687000 0.3301000       4.384000      0.3008000      0.3038000      0.4466000
  1 1 1      -4  -21   10 o    7.167000      0.1946000       7.305000 0.2856000       7.029000      0.2643000      0.2763000      0.3891000
  1 1 1      -4  -21   11 o    6.480000      0.1977000       6.344000 0.2924000       6.616000      0.2662000     -0.2722000      0.3954000
  1 1 1      -4  -21   12 o    8.758000      0.2009000       8.831000 0.2901000       8.685000      0.2780000      0.1460000      0.4018000
  1 1 1      -4  -21   13 o    1.865000      0.4377000       1.562000 0.5994000       2.168000      0.6381000     -0.6059000      0.8755000
  1 1 1      -4  -21   14 o    5.517000      0.2353000       5.401000 0.3380000       5.633000      0.3276000     -0.2317000      0.4707000
  1 1 1      -4  -21   15 o    2.427000      0.4548000       2.115000 0.6583000       2.739000      0.6276000     -0.6245000      0.9095000
  1 1 1      -4  -21   16 o    10.06000      0.2150000       10.11000 0.3055000       10.01000      0.3026000      0.9739000E-01  0.4300000
  1 1 1      -4  -21   17 o    5.372000      0.2724000       5.375000 0.3740000       5.368000      0.3960000      0.6881000E-02  0.5447000
  1 1 1      -4  -21   18 o    7.331000      0.2322000       7.486000 0.3179000       7.176000      0.3385000      0.3106000      0.4644000
  1 1 1      -4  -21   19 o    9.633000      0.2230000       9.404000 0.3185000       9.861000      0.3120000     -0.4568000      0.4459000
  1 1 1      -4  -21   20 o    1.751000      0.4964000       1.638000 0.6795000       1.865000      0.7240000     -0.2264000      0.9929000
  1 1 1      -4  -21   21 o    7.533000      0.2519000       7.544000 0.3486000       7.522000      0.3637000      0.2276000E-01  0.5038000
  1 1 1      -4  -21   22 o    3.795000      0.4446000       3.998000 0.5509000       3.592000      0.6980000      0.4060000      0.8893000
  1 1 1      -4  -21   23 o    5.915000      0.3021000       6.055000 0.4124000       5.774000      0.4415000      0.2810000      0.6042000
  1 1 1      -4  -21   24 o    1.642000      0.5028000       1.745000 0.7161000       1.539000      0.7059000      0.2063000       1.006000
  1 1 1      -4  -21   25 o    9.550000      0.2703000       9.434000 0.3744000       9.666000      0.3899000     -0.2315000      0.5405000
  1 1 1      -4  -21   26 o    1.989000      0.5813000       1.966000 0.8067000       2.013000      0.8371000     -0.4724000E-01   1.163000
  1 1 1      -4  -21   27 o    2.073000      0.5724000       2.473000 0.8487000       1.672000      0.7681000      0.8013000       1.145000
  1 1 1      -4  -21   28 o    4.148000      0.5125000       4.690000 0.6196000       3.605000      0.8165000       1.084000       1.025000
  1 1 1      -4  -21   29 o    5.504000      0.4246000       5.544000 0.5868000       5.465000      0.6139000      0.7886000E-01  0.8492000
  1 1 1      -4  -21   30 o    2.658000      0.6525000       2.489000 0.8986000       2.828000      0.9463000     -0.3389000       1.305000
  1 1 1      -4  -20    1 o    4.530000      0.8081000       4.374000 1.405000       4.687000      0.7982000     -0.3128000       1.616000
  1 1 1      -4  -20    2 o    2.859000      0.7858000       3.001000 1.259000       2.716000      0.9413000      0.2854000       1.572000
  1 1 1      -4  -20    3 o    5.980000      0.4561000       5.777000 0.7743000       6.184000      0.4823000     -0.4068000      0.9122000
  1 1 1      -4  -20    4 o    4.723000      0.3577000       4.612000 0.5719000       4.833000      0.4298000     -0.2204000      0.7154000
  1 1 1      -4  -20    5 o    5.526000      0.3095000       5.606000 0.4859000       5.445000      0.3835000      0.1603000      0.6190000
  1 1 1      -4  -20    6 o    1.962000      0.4841000       2.100000 0.7043000       1.824000      0.6642000      0.2755000      0.9681000
  1 1 1      -4  -20    7 o    5.664000      0.2303000       5.612000 0.3267000       5.717000      0.3246000     -0.1052000      0.4605000
  1 1 1      -4  -20    8 o    1.678000      0.4043000       2.108000 0.6172000       1.249000      0.5224000      0.8593000      0.8086000
  1 1 1      -4  -20    9 o    7.512000      0.1913000       7.354000 0.2802000       7.670000      0.2606000     -0.3157000      0.3826000
  1 1 1      -4  -20   10 o    2.422000      0.4023000       2.447000 0.5744000       2.398000      0.5633000      0.4934000E-01  0.8046000
  1 1 1      -4  -20   11 o    4.784000      0.2203000       4.963000 0.3070000       4.605000      0.3160000      0.3577000      0.4406000
  1 1 1      -4  -20   12 o    6.275000      0.1996000       6.566000 0.2739000       5.983000      0.2906000      0.5829000      0.3993000
  1 1 1      -4  -20   13 o    2.456000      0.4032000       2.830000 0.5392000       2.083000      0.5998000      0.7478000      0.8065000
  1 1 1      -4  -20   14 o    5.599000      0.2272000       5.640000 0.3104000       5.559000      0.3318000      0.8118000E-01  0.4544000
  1 1 1      -4  -20   15 o    7.527000      0.2139000       7.336000 0.3030000       7.718000      0.3021000     -0.3827000      0.4278000
  1 1 1      -4  -20   16 o    5.904000      0.2381000       6.013000 0.3344000       5.796000      0.3391000      0.2161000      0.4763000
  1 1 1      -4  -20   17 o    10.15000      0.2111000       10.12000 0.3024000       10.18000      0.2945000     -0.6221000E-01  0.4222000
  1 1 1      -4  -20   18 o    11.09000      0.2262000       10.70000 0.3250000       11.47000      0.3148000     -0.7722000      0.4524000
  1 1 1      -4  -20   19 o    15.06000      0.2513000       14.95000 0.3559000       15.17000      0.3549000     -0.2277000      0.5026000
  1 1 1      -4  -20   20 o    2.304000      0.5206000       2.216000 0.7345000       2.393000      0.7378000     -0.1777000       1.041000
  1 1 1      -4  -20   21 o    2.003000      0.5204000       2.193000 0.7435000       1.813000      0.7282000      0.3808000       1.041000
  1 1 1      -4  -20   22 o    4.081000      0.4029000       4.179000 0.5408000       3.983000      0.5974000      0.1961000      0.8058000
  1 1 1      -4  -20   23 o    5.886000      0.3033000       5.430000 0.4368000       6.341000      0.4210000     -0.9106000      0.6066000
  1 1 1      -4  -20   24 o    2.576000      0.5701000       2.415000 0.7797000       2.737000      0.8320000     -0.3221000       1.140000
  1 1 1      -4  -20   25 o    1.978000      0.5635000       1.910000 0.7663000       2.045000      0.8264000     -0.1351000       1.127000
  1 1 1      -4  -20   26 o    6.029000      0.3426000       6.473000 0.4275000       5.584000      0.5354000      0.8888000      0.6851000
  1 1 1      -4  -20   27 o    2.022000      0.5822000       1.707000 0.7590000       2.337000      0.8830000     -0.6293000       1.164000
  1 1 1      -4  -20   28 o    2.484000      0.6217000       2.620000 0.8607000       2.348000      0.8973000      0.2714000       1.243000
  1 1 1      -4  -20   29 o    4.375000      0.5118000       4.651000 0.6331000       4.098000      0.8045000      0.5533000       1.024000
  1 1 1      -4  -20   30 o    2.369000      0.6284000       2.074000 0.8490000       2.665000      0.9266000     -0.5911000       1.257000
  1 1 1      -4  -20   31 o    2.540000      0.5698000       1.566000 0.7317000       3.513000      0.8737000      -1.947000       1.140000
  1 1 1      -4  -19    1 o    2.699000      0.3791000       2.228000 0.6198000       3.171000      0.4369000     -0.9424000      0.7583000
  1 1 1      -4  -19    2 o    8.728000      0.2032000       8.803000 0.3079000       8.653000      0.2651000      0.1497000      0.4063000
  1 1 1      -4  -19    3 o    4.319000      0.2365000       4.130000 0.3679000       4.508000      0.2973000     -0.3781000      0.4730000
  1 1 1      -4  -19    4 o    3.662000      0.2443000       3.570000 0.3839000       3.754000      0.3024000     -0.1840000      0.4887000
  1 1 1      -4  -19    5 o    1.764000      0.3698000       1.270000 0.5569000       2.259000      0.4869000     -0.9894000      0.7397000
  1 1 1      -4  -19    6 o    1.698000      0.3885000       2.058000 0.5746000       1.339000      0.5232000      0.7191000      0.7771000
  1 1 1      -4  -19    7 o    7.514000      0.1679000       7.271000 0.2464000       7.757000      0.2280000     -0.4865000      0.3357000
  1 1 1      -4  -19    8 o    1.318000      0.3760000       1.155000 0.5103000       1.481000      0.5524000     -0.3264000      0.7520000
  1 1 1      -4  -19    9 o    5.695000      0.1916000       5.632000 0.2782000       5.758000      0.2636000     -0.1267000      0.3833000
  1 1 1      -4  -19   10 o    5.987000      0.2412000       5.865000 0.3134000       6.109000      0.3668000     -0.2433000      0.4825000
  1 1 1      -4  -19   13 o    7.296000      0.3227000       7.296000 0.3227000                  ?              ?              ?              ?
  1 1 1      -4  -19   14 o    8.221000      0.2260000       8.617000 0.3486000       7.826000      0.2876000      0.7912000      0.4520000
  1 1 1      -4  -19   15 o    2.478000      0.6142000                  ?       ?   2.478000      0.6142000                  ?              ?
  1 1 1      -4  -19   16 o    5.765000      0.2425000       5.523000 0.3551000       6.007000      0.3302000     -0.4841000      0.4849000
  1 1 1      -4  -19   17 o    11.13000      0.2204000       10.74000 0.3131000       11.51000      0.3102000     -0.7724000      0.4407000
  1 1 1      -4  -19   18 o    1.742000      0.4475000       2.186000 0.6621000       1.298000      0.6023000      0.8885000      0.8951000
  1 1 1      -4  -19   19 o    7.895000      0.2304000       7.689000 0.3328000       8.101000      0.3188000     -0.4114000      0.4608000
  1 1 1      -4  -19   20 o    4.255000      0.3477000       4.253000 0.4875000       4.257000      0.4960000     -0.3926000E-02  0.6954000
  1 1 1      -4  -19   21 o    2.578000      0.5067000       2.653000 0.6657000       2.502000      0.7641000      0.1517000       1.013000
  1 1 1      -4  -19   22 o    1.383000      0.4494000       1.241000 0.5817000       1.525000      0.6851000     -0.2844000      0.8987000
  1 1 1      -4  -19   23 o    4.344000      0.3839000       4.500000 0.4754000       4.187000      0.6029000      0.3130000      0.7678000
  1 1 1      -4  -19   24 o    2.839000      0.5328000       3.439000 0.6590000       2.240000      0.8374000       1.200000       1.066000
  1 1 1      -4  -19   25 f    2.877000      0.5767000       3.027000 0.7533000       2.727000      0.8736000      0.2999000       1.153000
  1 1 1      -4  -19   26 o    2.055000      0.5614000       2.316000 0.7969000       1.794000      0.7910000      0.5216000       1.123000
  1 1 1      -4  -19   27 f    4.788000      0.4246000       4.909000 0.5635000       4.668000      0.6352000      0.2408000      0.8491000
  1 1 1      -4  -19   28 o    5.638000      0.3751000       5.889000 0.4875000       5.387000      0.5702000      0.5019000      0.7502000
  1 1 1      -4  -19   29 o    6.757000      0.3440000       6.858000 0.4753000       6.656000      0.4975000      0.2028000      0.6881000
  1 1 1      -4  -19   30 o    2.672000      0.5742000       1.616000 0.7493000       3.728000      0.8703000      -2.112000       1.148000
  1 1 1      -4  -19   31 o    2.853000      0.6269000       3.130000 0.8613000       2.576000      0.9112000      0.5542000       1.254000
  1 1 1      -4  -19   32 o    2.926000      0.6375000       2.722000 0.8911000       3.129000      0.9121000     -0.4070000       1.275000
  1 1 1      -4  -18    1 o    2.926000      0.3337000       3.213000 0.4550000       2.639000      0.4883000      0.5743000      0.6674000
  1 1 1      -4  -18    2 o    7.257000      0.2172000       6.954000 0.3064000       7.560000      0.3080000     -0.6062000      0.4345000
  1 1 1      -4  -18    3 o    3.581000      0.3291000       3.245000 0.5393000       3.918000      0.3772000     -0.6731000      0.6582000
  1 1 1      -4  -18    4 o    2.905000      0.3988000       2.655000 0.6509000       3.154000      0.4611000     -0.4994000      0.7977000
  1 1 1      -4  -18    5 o    1.861000      0.4501000       2.295000 0.6900000       1.427000      0.5781000      0.8678000      0.9001000
  1 1 1      -4  -18    7 o    1.985000      0.4618000       2.549000 0.7142000       1.420000      0.5855000       1.129000      0.9235000
  1 1 1      -4  -18    8 o    1.850000      0.4937000       1.612000 0.7097000       2.088000      0.6867000     -0.4764000      0.9875000
  1 1 1      -4  -18    9 o    2.024000      0.4872000       1.507000 0.6925000       2.540000      0.6854000      -1.033000      0.9744000
  1 1 1      -4  -18   10 o    3.630000      0.2443000       3.563000 0.3414000       3.698000      0.3496000     -0.1352000      0.4887000
  1 1 1      -4  -18   11 o    3.575000      0.2544000       3.892000 0.3265000       3.259000      0.3903000      0.6328000      0.5089000
  1 1 1      -4  -18   12 o    1.993000      0.4022000       2.428000 0.5519000       1.559000      0.5853000      0.8688000      0.8045000
  1 1 1      -4  -18   13 o    11.88000      0.2996000       11.88000 0.2996000                  ?              ?              ?              ?
  1 1 1      -4  -18   14 o    5.067000      0.2285000       5.002000 0.3187000       5.132000      0.3275000     -0.1295000      0.4570000
  1 1 1      -4  -18   15 o    5.662000      0.4828000                  ?       ?   5.662000      0.4828000                  ?              ?
  1 1 1      -4  -18   16 o    5.271000      0.3465000       5.364000 0.4186000       5.177000      0.5522000      0.1869000      0.6929000
  1 1 1      -4  -18   17 o    6.925000      0.2935000       6.870000 0.3685000       6.979000      0.4570000     -0.1095000      0.5871000
  1 1 1      -4  -18   18 o    8.180000      0.2207000       8.107000 0.3073000       8.253000      0.3167000     -0.1459000      0.4413000
  1 1 1      -4  -18   19 o    4.611000      0.3105000       4.614000 0.4071000       4.607000      0.4690000      0.7401000E-02  0.6211000
  1 1 1      -4  -18   20 o    6.836000      0.2531000       6.580000 0.3613000       7.092000      0.3544000     -0.5116000      0.5061000
  1 1 1      -4  -18   21 o    1.673000      0.4887000       1.718000 0.6859000       1.628000      0.6964000      0.9007000E-01  0.9774000
  1 1 1      -4  -18   22 o    5.336000      0.3039000       5.326000 0.4058000       5.346000      0.4526000     -0.1956000E-01  0.6078000
  1 1 1      -4  -18   23 o    2.828000      0.5067000       2.574000 0.7070000       3.081000      0.7261000     -0.5066000       1.013000
  1 1 1      -4  -18   24 o    2.003000      0.5313000       1.598000 0.6885000       2.408000      0.8095000     -0.8101000       1.063000
  1 1 1      -4  -18   25 o    3.165000      0.5254000       3.601000 0.6376000       2.729000      0.8354000      0.8717000       1.051000
  1 1 1      -4  -18   26 o    2.469000      0.5756000       2.491000 0.7844000       2.446000      0.8426000      0.4514000E-01   1.151000
  1 1 1      -4  -18   27 o    5.372000      0.3731000       5.424000 0.4816000       5.319000      0.5700000      0.1055000      0.7462000
  1 1 1      -4  -18   28 o    2.606000      0.6105000       2.552000 0.8370000       2.661000      0.8890000     -0.1082000       1.221000
  1 1 1      -4  -18   29 o    1.949000      0.5785000       2.156000 0.8430000       1.742000      0.7924000      0.4142000       1.157000
  1 1 1      -4  -18   30 o    4.865000      0.4522000       4.892000 0.5895000       4.838000      0.6860000      0.5407000E-01  0.9045000
  1 1 1      -4  -18   31 o    2.978000      0.6344000       3.163000 0.8658000       2.794000      0.9275000      0.3691000       1.269000
  1 1 1      -4  -18   32 o    2.273000      0.6139000       2.385000 0.8638000       2.160000      0.8726000      0.2251000       1.228000
  1 1 1      -4  -18   33 o    1.791000      0.5619000       1.964000 0.8367000       1.619000      0.7504000      0.3450000       1.124000
  1 1 1      -4  -17    1 o    3.982000      0.2288000       4.184000 0.3329000       3.780000      0.3138000      0.4043000      0.4575000
  1 1 1      -4  -17    2 o    6.346000      0.1707000       6.413000 0.2558000       6.279000      0.2262000      0.1334000      0.3415000
  1 1 1      -4  -17    3 o    7.768000      0.1682000       7.822000 0.2516000       7.714000      0.2231000      0.1084000      0.3363000
  1 1 1      -4  -17    4 o    9.627000      0.1697000       9.468000 0.2446000       9.785000      0.2352000     -0.3172000      0.3393000
  1 1 1      -4  -17    5 o    9.051000      0.1657000       9.133000 0.2405000       8.969000      0.2281000      0.1636000      0.3314000
  1 1 1      -4  -17    6 o    8.854000      0.1664000       9.025000 0.2429000       8.683000      0.2274000      0.3425000      0.3327000
  1 1 1      -4  -17    7 o    8.828000      0.1697000       8.788000 0.2404000       8.869000      0.2396000     -0.8180000E-01  0.3395000
  1 1 1      -4  -17    8 f    3.355000      0.2523000       3.458000 0.3261000       3.251000      0.3850000      0.2076000      0.5046000
  1 1 1      -4  -17    9 o    4.893000      0.1976000       4.697000 0.2767000       5.089000      0.2821000     -0.3913000      0.3952000
  1 1 1      -4  -17   10 o    3.041000      0.4455000       2.634000 0.8107000       3.448000      0.3698000     -0.8142000      0.8911000
  1 1 1      -4  -17   11 o    4.193000      0.3782000       4.245000 0.6036000       4.140000      0.4559000      0.1044000      0.7564000
  1 1 1      -4  -17   12 o    8.133000      0.2891000       8.150000 0.4412000       8.116000      0.3738000      0.3412000E-01  0.5783000
  1 1 1      -4  -17   13 o    10.09000      0.3100000       9.437000 0.4661000       10.74000      0.4086000      -1.307000      0.6199000
  1 1 1      -4  -17   14 o    2.728000      0.4496000       3.016000 0.4789000       2.440000      0.7612000      0.5756000      0.8993000
  1 1 1      -4  -17   15 o    1.952000      0.4533000       1.969000 0.6221000       1.935000      0.6596000      0.3331000E-01  0.9067000
  1 1 1      -4  -17   16 o    6.028000      0.2383000       6.221000 0.3294000       5.835000      0.3446000      0.3859000      0.4767000
  1 1 1      -4  -17   17 o    3.754000      0.3449000       3.743000 0.4853000       3.764000      0.4903000     -0.2122000E-01  0.6898000
  1 1 1      -4  -17   18 o    7.742000      0.2986000       7.078000 0.3872000       8.406000      0.4545000      -1.328000      0.5971000
  1 1 1      -4  -17   19 o    4.711000      0.4200000       5.045000 0.4416000       4.377000      0.7145000      0.6679000      0.8400000
  1 1 1      -4  -17   20 o    11.94000      0.2624000       11.79000 0.4111000       12.09000      0.3261000     -0.3067000      0.5248000
  1 1 1      -4  -17   21 o    13.24000      0.2417000       13.56000 0.3473000       12.93000      0.3361000      0.6293000      0.4833000
  1 1 1      -4  -17   22 o    5.129000      0.3070000       5.330000 0.3867000       4.928000      0.4770000      0.4017000      0.6140000
  1 1 1      -4  -17   23 o    5.874000      0.2896000       5.872000 0.4029000       5.877000      0.4163000     -0.5782000E-02  0.5793000
  1 1 1      -4  -17   24 o    2.533000      0.5462000       2.535000 0.7475000       2.530000      0.7966000      0.5509000E-02   1.092000
  1 1 1      -4  -17   25 o    7.135000      0.2682000       6.912000 0.3691000       7.358000      0.3892000     -0.4467000      0.5364000
  1 1 1      -4  -17   26 o    2.186000      0.5762000       2.241000 0.7938000       2.132000      0.8353000      0.1084000       1.152000
  1 1 1      -4  -17   27 o    8.058000      0.2801000       8.186000 0.3714000       7.930000      0.4193000      0.2561000      0.5601000
  1 1 1      -4  -17   28 o    3.299000      0.5652000       2.597000 0.8448000       4.001000      0.7512000      -1.404000       1.130000
  1 1 1      -4  -17   29 o    2.774000      0.6274000       2.628000 0.8475000       2.919000      0.9255000     -0.2915000       1.255000
  1 1 1      -4  -17   30 o    3.633000      0.5655000       3.698000 0.7481000       3.568000      0.8483000      0.1306000       1.131000
  1 1 1      -4  -17   31 o    3.887000      0.5472000       3.739000 0.7338000       4.035000      0.8121000     -0.2966000       1.094000
  1 1 1      -4  -17   32 o    2.057000      0.5786000       2.477000 0.8789000       1.637000      0.7527000      0.8397000       1.157000
  1 1 1      -4  -17   33 f    2.042000      0.5956000       1.978000 0.8238000       2.106000      0.8605000     -0.1284000       1.191000
  1 1 1      -4  -16    1 o    8.712000      0.1725000       8.445000 0.2512000       8.979000      0.2365000     -0.5342000      0.3450000
  1 1 1      -4  -16    2 o    1.024000      0.3266000       1.235000 0.5236000      0.8139000      0.3907000      0.4209000      0.6533000
  1 1 1      -4  -16    3 o    4.946000      0.1699000       4.844000 0.2564000       5.048000      0.2229000     -0.2036000      0.3397000
  1 1 1      -4  -16    4 o    3.213000      0.2131000       2.829000 0.3456000       3.597000      0.2494000     -0.7682000      0.4262000
  1 1 1      -4  -16    5 o    5.949000      0.1555000       5.922000 0.2284000       5.975000      0.2109000     -0.5336000E-01  0.3109000
  1 1 1      -4  -16    6 o    3.394000      0.2255000       3.441000 0.3220000       3.346000      0.3159000      0.9528000E-01  0.4511000
  1 1 1      -4  -16    7 o    7.807000      0.1630000       7.861000 0.2321000       7.752000      0.2289000      0.1092000      0.3260000
  1 1 1      -4  -16    8 o    3.421000      0.2272000       3.601000 0.3022000       3.242000      0.3392000      0.3584000      0.4543000
  1 1 1      -4  -16    9 o    9.830000      0.1795000       9.720000 0.2546000       9.939000      0.2531000     -0.2193000      0.3590000
  1 1 1      -4  -16   10 o    3.396000      0.2640000       3.408000 0.3698000       3.384000      0.3769000      0.2403000E-01  0.5280000
  1 1 1      -4  -16   11 o    7.602000      0.1771000       7.766000 0.2536000       7.438000      0.2474000      0.3272000      0.3543000
  1 1 1      -4  -16   12 o    7.852000      0.1857000       7.916000 0.2624000       7.788000      0.2628000      0.1277000      0.3714000
  1 1 1      -4  -16   13 o    2.725000      0.3652000       2.546000 0.5260000       2.904000      0.5069000     -0.3580000      0.7304000
  1 1 1      -4  -16   14 o    4.616000      0.3610000       5.251000 0.6021000       3.980000      0.3982000       1.271000      0.7219000
  1 1 1      -4  -16   15 o    3.140000      0.5639000       3.239000 0.9143000       3.041000      0.6604000      0.1977000       1.128000
  1 1 1      -4  -16   16 o    2.096000      0.6052000       2.555000 0.9741000       1.637000      0.7185000      0.9178000       1.210000
  1 1 1      -4  -16   17 o    8.811000      0.2106000       9.111000 0.3033000       8.510000      0.2923000      0.6010000      0.4213000
  1 1 1      -4  -16   18 o    8.302000      0.2132000       7.800000 0.2977000       8.803000      0.3052000      -1.002000      0.4263000
  1 1 1      -4  -16   19 o    4.100000      0.3316000       4.115000 0.4447000       4.086000      0.4922000      0.2874000E-01  0.6633000
  1 1 1      -4  -16   20 o    8.692000      0.3077000       8.801000 0.3948000       8.582000      0.4721000      0.2196000      0.6154000
  1 1 1      -4  -16   21 o    9.028000      0.3091000       8.462000 0.4041000       9.593000      0.4678000      -1.131000      0.6182000
  1 1 1      -4  -16   22 o    5.068000      0.4200000       4.235000 0.5768000       5.901000      0.6106000      -1.666000      0.8400000
  1 1 1      -4  -16   23 o    2.111000      0.5289000       1.961000 0.7170000       2.262000      0.7778000     -0.3008000       1.058000
  1 1 1      -4  -16   24 o    1.709000      0.5075000       1.588000 0.6738000       1.830000      0.7592000     -0.2414000       1.015000
  1 1 1      -4  -16   25 f    8.758000      0.2595000       8.633000 0.3575000       8.882000      0.3763000     -0.2488000      0.5190000
  1 1 1      -4  -16   26 o    7.452000      0.2893000       7.513000 0.3810000       7.391000      0.4354000      0.1222000      0.5786000
  1 1 1      -4  -16   27 o    2.993000      0.5744000       2.561000 0.8084000       3.424000      0.8161000     -0.8628000       1.149000
  1 1 1      -4  -16   28 o    3.621000      0.5296000       3.144000 0.7864000       4.097000      0.7096000     -0.9538000       1.059000
  1 1 1      -4  -16   29 o    3.855000      0.5448000       4.154000 0.6630000       3.557000      0.8647000      0.5973000       1.090000
  1 1 1      -4  -16   30 o    2.749000      0.6172000       2.271000 0.8468000       3.226000      0.8982000     -0.9555000       1.234000
  1 1 1      -4  -16   31 o    4.695000      0.4796000       5.157000 0.5776000       4.234000      0.7659000      0.9227000      0.9593000
  1 1 1      -4  -16   32 o    5.483000      0.4008000       5.558000 0.5451000       5.408000      0.5876000      0.1503000      0.8015000
  1 1 1      -4  -16   33 o    1.853000      0.5737000       1.862000 0.8153000       1.844000      0.8074000      0.1751000E-01   1.147000
  1 1 1      -4  -16   34 o    1.929000      0.5594000       2.334000 0.8597000       1.523000      0.7159000      0.8108000       1.119000
  1 1 1      -4  -15    1 o    4.731000      0.1807000       4.467000 0.2699000       4.994000      0.2405000     -0.5278000      0.3615000
  1 1 1      -4  -15    2 o    6.789000      0.1566000       6.649000 0.2338000       6.929000      0.2084000     -0.2804000      0.3132000
  1 1 1      -4  -15    3 o    18.88000      0.2636000       18.63000 0.3698000       19.12000      0.3757000     -0.4965000      0.5271000
  1 1 1      -4  -15    4 o    9.950000      0.1643000       10.20000 0.2388000       9.702000      0.2257000      0.4950000      0.3286000
  1 1 1      -4  -15    5 o    5.033000      0.1636000       4.948000 0.2341000       5.118000      0.2287000     -0.1700000      0.3273000
  1 1 1      -4  -15    6 o    12.54000      0.1939000       12.59000 0.2757000       12.48000      0.2727000      0.1182000      0.3878000
  1 1 1      -4  -15    7 o    12.50000      0.1954000       12.58000 0.2783000       12.42000      0.2744000      0.1602000      0.3908000
  1 1 1      -4  -15    8 o    9.524000      0.1724000       9.730000 0.2467000       9.317000      0.2408000      0.4131000      0.3447000
  1 1 1      -4  -15    9 o    2.301000      0.3674000       2.176000 0.5273000       2.425000      0.5117000     -0.2492000      0.7347000
  1 1 1      -4  -15   10 o    3.878000      0.2292000       4.246000 0.2889000       3.509000      0.3560000      0.7372000      0.4585000
  1 1 1      -4  -15   11 o    12.17000      0.2027000       12.30000 0.2894000       12.05000      0.2839000      0.2528000      0.4053000
  1 1 1      -4  -15   12 o    3.742000      0.2664000       3.631000 0.3790000       3.854000      0.3746000     -0.2232000      0.5329000
  1 1 1      -4  -15   13 o    8.138000      0.1931000       8.369000 0.2757000       7.906000      0.2704000      0.4632000      0.3862000
  1 1 1      -4  -15   14 o    8.059000      0.2877000       8.059000 0.2877000                  ?              ?              ?              ?
  1 1 1      -4  -15   15 o    5.388000      0.2341000       5.639000 0.3158000       5.136000      0.3456000      0.5024000      0.4682000
  1 1 1      -4  -15   16 o    8.299000      0.2889000                  ?       ?   8.299000      0.2889000                  ?              ?
  1 1 1      -4  -15   17 o    7.438000      0.3629000       7.558000 0.5708000       7.318000      0.4485000      0.2403000      0.7259000
  1 1 1      -4  -15   18 o    2.499000      0.5887000       2.041000 0.8808000       2.958000      0.7812000     -0.9170000       1.177000
  1 1 1      -4  -15   19 o    4.786000      0.5358000       4.261000 0.9284000       5.311000      0.5353000      -1.049000       1.072000
  1 1 1      -4  -15   20 f    5.762000      0.2670000       6.233000 0.3474000       5.292000      0.4056000      0.9405000      0.5341000
  1 1 1      -4  -15   21 o    4.131000      0.3660000       4.351000 0.4736000       3.911000      0.5583000      0.4400000      0.7321000
  1 1 1      -4  -15   22 o    4.189000      0.5097000       4.485000 0.5589000       3.892000      0.8526000      0.5936000       1.019000
  1 1 1      -4  -15   23 o    10.56000      0.3172000       10.07000 0.4131000       11.04000      0.4815000     -0.9727000      0.6345000
  1 1 1      -4  -15   24 o    7.226000      0.2611000       6.879000 0.3675000       7.573000      0.3709000     -0.6936000      0.5221000
  1 1 1      -4  -15   25 o    5.728000      0.3150000       5.662000 0.4307000       5.794000      0.4598000     -0.1315000      0.6300000
  1 1 1      -4  -15   26 o    2.673000      0.5203000       3.374000 0.6702000       1.972000      0.7960000       1.402000       1.041000
  1 1 1      -4  -15   27 o    6.175000      0.3308000       5.960000 0.4530000       6.390000      0.4821000     -0.4304000      0.6616000
  1 1 1      -4  -15   28 o    8.928000      0.2781000       8.917000 0.3813000       8.940000      0.4048000     -0.2286000E-01  0.5561000
  1 1 1      -4  -15   29 o    5.419000      0.3887000       5.415000 0.5265000       5.423000      0.5719000     -0.7979000E-02  0.7773000
  1 1 1      -4  -15   30 o    5.970000      0.3804000       6.020000 0.5065000       5.920000      0.5676000      0.9997000E-01  0.7608000
  1 1 1      -4  -15   31 o    2.849000      0.6275000       2.947000 0.8479000       2.751000      0.9253000      0.1956000       1.255000
  1 1 1      -4  -15   32 o    4.029000      0.5307000       3.651000 0.8142000       4.407000      0.6810000     -0.7555000       1.061000
  1 1 1      -4  -15   33 o    2.513000      0.6251000       2.327000 0.8788000       2.699000      0.8893000     -0.3722000       1.250000
  1 1 1      -4  -15   34 o    4.874000      0.4491000       5.397000 0.5698000       4.351000      0.6943000       1.046000      0.8981000
  1 1 1      -4  -14    1 o    12.05000      0.1868000       12.06000 0.2680000       12.04000      0.2602000      0.2117000E-01  0.3735000
  1 1 1      -4  -14    2 o    1.314000      0.3175000       1.077000 0.4478000       1.550000      0.4501000     -0.4731000      0.6349000
  1 1 1      -4  -14    3 o    2.446000      0.2456000       2.500000 0.3597000       2.392000      0.3346000      0.1077000      0.4913000
  1 1 1      -4  -14    4 f    15.30000      0.2199000       15.30000 0.3120000       15.30000      0.3100000      0.8345000E-03  0.4398000
  1 1 1      -4  -14    5 o    8.745000      0.1578000       8.861000 0.2241000       8.630000      0.2223000      0.2314000      0.3157000
  1 1 1      -4  -14    6 o    11.44000      0.1823000       11.50000 0.2595000       11.38000      0.2561000      0.1205000      0.3646000
  1 1 1      -4  -14    7 o    11.50000      0.1866000       11.34000 0.2618000       11.67000      0.2660000     -0.3305000      0.3732000
  1 1 1      -4  -14    8 o    17.65000      0.2540000       17.43000 0.3557000       17.88000      0.3626000     -0.4450000      0.5080000
  1 1 1      -4  -14    9 o    4.571000      0.2162000       4.845000 0.2887000       4.297000      0.3219000      0.5485000      0.4324000
  1 1 1      -4  -14   10 o    10.84000      0.1880000       10.78000 0.2675000       10.90000      0.2643000     -0.1114000      0.3760000
  1 1 1      -4  -14   11 o    10.61000      0.1913000       10.49000 0.2701000       10.73000      0.2711000     -0.2366000      0.3827000
  1 1 1      -4  -14   12 f    5.708000      0.2055000       5.568000 0.2928000       5.847000      0.2883000     -0.2792000      0.4109000
  1 1 1      -4  -14   13 o    11.32000      0.2005000       11.40000 0.2843000       11.24000      0.2829000      0.1591000      0.4011000
  1 1 1      -4  -14   14 o    4.992000      0.3087000       4.992000 0.3087000                  ?              ?              ?              ?
  1 1 1      -4  -14   15 o    6.224000      0.2153000       6.167000 0.3016000       6.280000      0.3073000     -0.1129000      0.4305000
  1 1 1      -4  -14   16 o    5.313000      0.3568000                  ?       ?   5.313000      0.3568000                  ?              ?
  1 1 1      -4  -14   17 o    4.328000      0.2810000       4.390000 0.3839000       4.267000      0.4105000      0.1229000      0.5620000
  1 1 1      -4  -14   18 o    4.636000      0.2801000       4.814000 0.3729000       4.459000      0.4181000      0.3550000      0.5603000
  1 1 1      -4  -14   19 o    2.299000      0.6281000       2.091000 0.9039000       2.508000      0.8725000     -0.4165000       1.256000
  1 1 1      -4  -14   20 o    6.547000      0.3814000       6.393000 0.5761000       6.701000      0.5001000     -0.3087000      0.7629000
  1 1 1      -4  -14   21 o    4.828000      0.3840000       4.970000 0.3904000       4.685000      0.6615000      0.2860000      0.7681000
  1 1 1      -4  -14   22 o    7.923000      0.2429000       7.688000 0.3472000       8.159000      0.3399000     -0.4718000      0.4859000
  1 1 1      -4  -14   23 o    3.669000      0.4375000       3.715000 0.5805000       3.623000      0.6547000      0.9170000E-01  0.8750000
  1 1 1      -4  -14   24 o    3.719000      0.5805000       3.807000 0.6563000       3.630000      0.9577000      0.1773000       1.161000
  1 1 1      -4  -14   25 o    5.581000      0.4294000       5.604000 0.4980000       5.559000      0.6998000      0.4490000E-01  0.8589000
  1 1 1      -4  -14   26 o    6.725000      0.2975000       6.698000 0.3990000       6.751000      0.4413000     -0.5339000E-01  0.5949000
  1 1 1      -4  -14   27 o    5.142000      0.3776000       5.260000 0.4956000       5.024000      0.5697000      0.2355000      0.7551000
  1 1 1      -4  -14   28 o    1.944000      0.5612000       1.770000 0.7445000       2.117000      0.8398000     -0.3466000       1.122000
  1 1 1      -4  -14   29 o    9.591000      0.2763000       9.414000 0.3851000       9.768000      0.3964000     -0.3535000      0.5527000
  1 1 1      -4  -14   30 o    6.668000      0.3418000       6.796000 0.4405000       6.540000      0.5228000      0.2565000      0.6836000
  1 1 1      -4  -14   31 o    3.256000      0.5960000       2.559000 0.8491000       3.953000      0.8365000      -1.395000       1.192000
  1 1 1      -4  -14   32 o    6.152000      0.3850000       5.823000 0.5590000       6.480000      0.5296000     -0.6563000      0.7700000
  1 1 1      -4  -14   33 o    2.778000      0.6394000       2.509000 0.9114000       3.046000      0.8970000     -0.5366000       1.279000
  1 1 1      -4  -14   34 o    3.602000      0.5436000       4.925000 0.6315000       2.280000      0.8850000       2.645000       1.087000
  1 1 1      -4  -14   35 o    1.929000      0.5795000       2.190000 0.8722000       1.668000      0.7633000      0.5222000       1.159000
  1 1 1      -4  -13    1 o    23.19000      0.3178000       23.33000 0.4526000       23.06000      0.4461000      0.2726000      0.6355000
  1 1 1      -4  -13    2 o    13.84000      0.1999000       14.09000 0.2884000       13.60000      0.2768000      0.4992000      0.3997000
  1 1 1      -4  -13    3 o    24.31000      0.3320000       24.18000 0.4681000       24.44000      0.4710000     -0.2570000      0.6640000
  1 1 1      -4  -13    4 o    24.98000      0.3409000       24.84000 0.4797000       25.12000      0.4846000     -0.2856000      0.6819000
  1 1 1      -4  -13    5 o    10.90000      0.1751000       10.87000 0.2478000       10.94000      0.2474000     -0.6242000E-01  0.3502000
  1 1 1      -4  -13    6 o    21.95000      0.3043000       22.05000 0.4321000       21.84000      0.4284000      0.2043000      0.6085000
  1 1 1      -4  -13    7 o    2.607000      0.2881000       2.630000 0.3914000       2.584000      0.4230000      0.4642000E-01  0.5762000
  1 1 1      -4  -13    8 o    9.298000      0.1712000       9.247000 0.2418000       9.349000      0.2423000     -0.1023000      0.3423000
  1 1 1      -4  -13    9 o    8.930000      0.1755000       8.637000 0.2458000       9.222000      0.2505000     -0.5850000      0.3510000
  1 1 1      -4  -13   10 o    3.450000      0.2657000       3.355000 0.3732000       3.545000      0.3783000     -0.1895000      0.5314000
  1 1 1      -4  -13   11 o    14.39000      0.2226000       14.52000 0.3179000       14.27000      0.3118000      0.2509000      0.4453000
  1 1 1      -4  -13   12 o    13.53000      0.2167000       13.25000 0.3027000       13.81000      0.3103000     -0.5604000      0.4335000
  1 1 1      -4  -13   13 o    1.986000      0.4286000       2.195000 0.5855000       1.777000      0.6262000      0.4187000      0.8573000
  1 1 1      -4  -13   14 o    1.404000      0.4059000       1.627000 0.6065000       1.180000      0.5396000      0.4469000      0.8118000
  1 1 1      -4  -13   15 o    2.018000      0.4236000       2.485000 0.5740000       1.551000      0.6233000      0.9343000      0.8473000
  1 1 1      -4  -13   16 o    7.611000      0.2063000       7.624000 0.2913000       7.598000      0.2922000      0.2588000E-01  0.4125000
  1 1 1      -4  -13   17 o    13.53000      0.2302000       13.53000 0.3282000       13.54000      0.3228000     -0.9942000E-02  0.4603000
  1 1 1      -4  -13   18 o    9.987000      0.2158000       9.989000 0.3064000       9.985000      0.3039000      0.3506000E-02  0.4315000
  1 1 1      -4  -13   19 o    4.819000      0.2809000       4.811000 0.3830000       4.827000      0.4110000     -0.1583000E-01  0.5618000
  1 1 1      -4  -13   20 o    6.277000      0.2488000       6.109000 0.3384000       6.445000      0.3648000     -0.3361000      0.4976000
  1 1 1      -4  -13   21 o    6.014000      0.4322000       5.728000 0.6892000       6.300000      0.5217000     -0.5714000      0.8644000
  1 1 1      -4  -13   22 o    12.19000      0.3540000       11.91000 0.5299000       12.47000      0.4694000     -0.5644000      0.7080000
  1 1 1      -4  -13   23 o    4.519000      0.3551000       4.755000 0.4562000       4.284000      0.5443000      0.4713000      0.7102000
  1 1 1      -4  -13   24 o    6.933000      0.2636000       7.161000 0.3686000       6.706000      0.3770000      0.4549000      0.5272000
  1 1 1      -4  -13   25 o    7.679000      0.3521000       7.351000 0.4457000       8.008000      0.5451000     -0.6577000      0.7042000
  1 1 1      -4  -13   26 o    6.027000      0.4092000       5.585000 0.5219000       6.470000      0.6304000     -0.8855000      0.8184000
  1 1 1      -4  -13   27 o    9.460000      0.2664000       9.405000 0.3734000       9.514000      0.3801000     -0.1091000      0.5329000
  1 1 1      -4  -13   28 o    2.369000      0.5817000       1.903000 0.7936000       2.834000      0.8506000     -0.9318000       1.163000
  1 1 1      -4  -13   29 o    12.81000      0.2703000       12.66000 0.3775000       12.96000      0.3870000     -0.2952000      0.5406000
  1 1 1      -4  -13   30 o    3.434000      0.5840000       3.678000 0.7746000       3.190000      0.8742000      0.4881000       1.168000
  1 1 1      -4  -13   31 o    3.243000      0.6043000       3.793000 0.7601000       2.694000      0.9396000       1.099000       1.209000
  1 1 1      -4  -13   32 o    4.317000      0.5094000       3.973000 0.7672000       4.661000      0.6705000     -0.6875000       1.019000
  1 1 1      -4  -13   33 o    3.012000      0.6166000       3.426000 0.8287000       2.598000      0.9131000      0.8280000       1.233000
  1 1 1      -4  -13   34 o    2.833000      0.6213000       2.186000 0.8694000       3.479000      0.8877000      -1.293000       1.243000
  1 1 1      -4  -13   35 o    3.138000      0.5907000       3.829000 0.7717000       2.447000      0.8945000       1.381000       1.181000
  1 1 1      -4  -12    1 o    25.47000      0.3462000       25.14000 0.4849000       25.80000      0.4942000     -0.6595000      0.6923000
  1 1 1      -4  -12    2 o    4.659000      0.1431000       4.840000 0.2070000       4.478000      0.1976000      0.3619000      0.2861000
  1 1 1      -4  -12    3 o    9.198000      0.1538000       9.204000 0.2181000       9.192000      0.2169000      0.1182000E-01  0.3076000
  1 1 1      -4  -12    4 o    16.23000      0.2312000       16.43000 0.3305000       16.02000      0.3235000      0.4149000      0.4625000
  1 1 1      -4  -12    5 o    8.726000      0.1595000       8.889000 0.2256000       8.563000      0.2254000      0.3252000      0.3190000
  1 1 1      -4  -12    6 o    30.69000      0.4169000       30.53000 0.5869000       30.86000      0.5922000     -0.3272000      0.8338000
  1 1 1      -4  -12    7 o    3.730000      0.2082000       3.840000 0.2955000       3.620000      0.2934000      0.2196000      0.4164000
  1 1 1      -4  -12    8 o    4.805000      0.1889000       4.670000 0.2732000       4.939000      0.2609000     -0.2688000      0.3778000
  1 1 1      -4  -12    9 o    5.967000      0.1788000       5.641000 0.2554000       6.293000      0.2503000     -0.6514000      0.3576000
  1 1 1      -4  -12   10 o    9.435000      0.1806000       9.459000 0.2533000       9.411000      0.2575000      0.4803000E-01  0.3612000
  1 1 1      -4  -12   11 o    12.10000      0.2024000       12.24000 0.2880000       11.97000      0.2844000      0.2621000      0.4048000
  1 1 1      -4  -12   12 o    7.585000      0.1850000       7.535000 0.2618000       7.635000      0.2616000     -0.1005000      0.3701000
  1 1 1      -4  -12   13 o    9.359000      0.1901000       9.307000 0.2652000       9.411000      0.2723000     -0.1042000      0.3801000
  1 1 1      -4  -12   14 o    7.887000      0.1925000       8.096000 0.2672000       7.677000      0.2772000      0.4180000      0.3850000
  1 1 1      -4  -12   15 o    5.117000      0.2412000       5.260000 0.3264000       4.975000      0.3553000      0.2845000      0.4825000
  1 1 1      -4  -12   16 f    6.846000      0.2178000       6.560000 0.3114000       7.133000      0.3048000     -0.5732000      0.4357000
  1 1 1      -4  -12   17 o    10.92000      0.2140000       10.95000 0.3051000       10.89000      0.3001000      0.5736000E-01  0.4280000
  1 1 1      -4  -12   18 o    8.252000      0.2222000       7.948000 0.3192000       8.556000      0.3093000     -0.6074000      0.4444000
  1 1 1      -4  -12   19 o    6.983000      0.2339000       6.931000 0.3247000       7.035000      0.3367000     -0.1043000      0.4678000
  1 1 1      -4  -12   20 o    6.956000      0.2388000       7.310000 0.3220000       6.603000      0.3529000      0.7076000      0.4777000
  1 1 1      -4  -12   21 o    4.488000      0.3135000       4.524000 0.4220000       4.452000      0.4637000      0.7179000E-01  0.6269000
  1 1 1      -4  -12   22 o    3.043000      0.6378000       3.215000 0.9519000       2.870000      0.8492000      0.3447000       1.276000
  1 1 1      -4  -12   23 o    13.90000      0.3625000       14.71000 0.5429000       13.09000      0.4805000       1.623000      0.7250000
  1 1 1      -4  -12   24 o    6.595000      0.2774000       6.490000 0.3870000       6.699000      0.3975000     -0.2091000      0.5548000
  1 1 1      -4  -12   25 o    5.737000      0.3011000       5.926000 0.3952000       5.547000      0.4544000      0.3784000      0.6022000
  1 1 1      -4  -12   26 o    2.348000      0.6324000       1.977000 0.7989000       2.718000      0.9806000     -0.7414000       1.265000
  1 1 1      -4  -12   27 o    7.120000      0.3961000       7.130000 0.4901000       7.111000      0.6224000      0.1945000E-01  0.7922000
  1 1 1      -4  -12   28 o    10.47000      0.2625000       10.58000 0.3711000       10.36000      0.3714000      0.2208000      0.5250000
  1 1 1      -4  -12   29 o    2.979000      0.6009000       3.199000 0.8232000       2.759000      0.8755000      0.4391000       1.202000
  1 1 1      -4  -12   30 o    2.563000      0.6333000       2.444000 0.8771000       2.682000      0.9137000     -0.2377000       1.267000
  1 1 1      -4  -12   31 o    8.145000      0.3123000       7.924000 0.4397000       8.367000      0.4437000     -0.4431000      0.6247000
  1 1 1      -4  -12   32 o    2.840000      0.6262000       3.134000 0.8431000       2.545000      0.9261000      0.5888000       1.252000
  1 1 1      -4  -12   33 o    2.274000      0.5931000       2.738000 0.8721000       1.811000      0.8042000      0.9260000       1.186000
  1 1 1      -4  -12   34 o    2.430000      0.6120000       2.059000 0.8437000       2.801000      0.8867000     -0.7420000       1.224000
  1 1 1      -4  -12   35 o    4.527000      0.4630000       4.469000 0.6613000       4.584000      0.6483000     -0.1156000      0.9261000
  1 1 1      -4  -12   36 o    2.576000      0.6381000       2.533000 0.8936000       2.619000      0.9113000     -0.8581000E-01   1.276000
  1 1 1      -4  -11    1 o    26.30000      0.5033000       26.64000 0.7218000       25.96000      0.7016000      0.6820000       1.007000
  1 1 1      -4  -11    2 o    18.84000      0.3677000       18.56000 0.5127000       19.12000      0.5271000     -0.5675000      0.7353000
  1 1 1      -4  -11    3 o    6.185000      0.1894000       6.306000 0.2578000       6.065000      0.2774000      0.2409000      0.3787000
  1 1 1      -4  -11    4 o    11.64000      0.1792000       11.59000 0.2527000       11.70000      0.2541000     -0.1156000      0.3584000
  1 1 1      -4  -11    5 o    20.80000      0.2893000       21.02000 0.4133000       20.57000      0.4050000      0.4432000      0.5787000
  1 1 1      -4  -11    6 o    17.37000      0.2486000       17.87000 0.3598000       16.87000      0.3433000       1.005000      0.4973000
  1 1 1      -4  -11    7 o    2.752000      0.2750000       2.580000 0.4061000       2.924000      0.3710000     -0.3443000      0.5501000
  1 1 1      -4  -11    8 o    7.715000      0.1677000       7.917000 0.2389000       7.514000      0.2354000      0.4032000      0.3354000
  1 1 1      -4  -11    9 o    22.39000      0.3132000       22.60000 0.4466000       22.19000      0.4392000      0.4151000      0.6264000
  1 1 1      -4  -11   10 o    20.19000      0.2868000       20.02000 0.4030000       20.37000      0.4082000     -0.3483000      0.5736000
  1 1 1      -4  -11   11 o    4.924000      0.2077000       5.311000 0.2725000       4.537000      0.3135000      0.7738000      0.4154000
  1 1 1      -4  -11   12 o    22.62000      0.3191000       22.71000 0.4525000       22.54000      0.4500000      0.1698000      0.6382000
  1 1 1      -4  -11   13 o    11.58000      0.2030000       11.39000 0.2826000       11.77000      0.2916000     -0.3818000      0.4060000
  1 1 1      -4  -11   14 o    7.030000      0.1985000       6.972000 0.2751000       7.088000      0.2861000     -0.1156000      0.3969000
  1 1 1      -4  -11   15 o    1.346000      0.5744000       1.346000 0.5744000                  ?              ?              ?              ?
  1 1 1      -4  -11   16 o    6.371000      0.2147000       6.438000 0.3029000       6.305000      0.3044000      0.1326000      0.4295000
  1 1 1      -4  -11   17 o    8.006000      0.2979000                  ?       ?   8.006000      0.2979000                  ?              ?
  1 1 1      -4  -11   18 o    10.89000      0.2146000       11.11000 0.3067000       10.67000      0.3003000      0.4421000      0.4293000
  1 1 1      -4  -11   19 o    1.788000      0.4751000       1.875000 0.6682000       1.700000      0.6755000      0.1753000      0.9502000
  1 1 1      -4  -11   20 o    3.768000      0.3516000       3.713000 0.4742000       3.822000      0.5193000     -0.1097000      0.7032000
  1 1 1      -4  -11   21 f    3.274000      0.4266000       3.226000 0.5686000       3.322000      0.6360000     -0.9615000E-01  0.8532000
  1 1 1      -4  -11   22 o    8.227000      0.2359000       8.038000 0.3323000       8.415000      0.3349000     -0.3774000      0.4718000
  1 1 1      -4  -11   23 o    11.44000      0.3477000       11.65000 0.5176000       11.22000      0.4643000      0.4261000      0.6953000
  1 1 1      -4  -11   24 o    4.641000      0.5106000       4.897000 0.7626000       4.385000      0.6792000      0.5120000       1.021000
  1 1 1      -4  -11   25 o    4.599000      0.3744000       5.261000 0.4244000       3.936000      0.6170000       1.325000      0.7489000
  1 1 1      -4  -11   26 o    8.682000      0.2519000       8.887000 0.3515000       8.476000      0.3610000      0.4107000      0.5038000
  1 1 1      -4  -11   27 o    9.686000      0.3438000       9.574000 0.4530000       9.798000      0.5173000     -0.2239000      0.6876000
  1 1 1      -4  -11   28 o    10.36000      0.3544000       10.42000 0.4619000       10.31000      0.5375000      0.1098000      0.7087000
  1 1 1      -4  -11   29 o    7.768000      0.2998000       7.854000 0.4114000       7.683000      0.4363000      0.1713000      0.5997000
  1 1 1      -4  -11   30 o    2.687000      0.6168000       2.571000 0.8583000       2.803000      0.8862000     -0.2316000       1.234000
  1 1 1      -4  -11   31 o    5.592000      0.4172000       5.728000 0.5515000       5.457000      0.6260000      0.2708000      0.8343000
  1 1 1      -4  -11   32 o    4.008000      0.5404000       3.154000 0.8420000       4.862000      0.6775000      -1.709000       1.081000
  1 1 1      -4  -11   33 o    2.272000      0.6254000       2.146000 0.8400000       2.398000      0.9268000     -0.2521000       1.251000
  1 1 1      -4  -11   34 o    2.718000      0.6327000       2.873000 0.8973000       2.562000      0.8921000      0.3109000       1.265000
  1 1 1      -4  -11   35 o    1.928000      0.5688000       1.451000 0.6908000       2.405000      0.9039000     -0.9535000       1.138000
  1 1 1      -4  -11   36 o    2.124000      0.5888000       1.695000 0.7635000       2.552000      0.8966000     -0.8562000       1.178000
  1 1 1      -4  -10    1 o    6.541000      0.1267000       6.478000 0.1796000       6.604000      0.1787000     -0.1256000      0.2534000
  1 1 1      -4  -10    2 o    17.20000      0.2399000       17.24000 0.3404000       17.15000      0.3380000      0.9253000E-01  0.4797000
  1 1 1      -4  -10    3 f    4.477000      0.1477000       4.395000 0.2095000       4.560000      0.2084000     -0.1647000      0.2955000
  1 1 1      -4  -10    4 o    15.89000      0.3202000       16.28000 0.4615000       15.50000      0.4440000      0.7799000      0.6404000
  1 1 1      -4  -10    5 o    19.54000      0.3851000       19.78000 0.5494000       19.31000      0.5397000      0.4679000      0.7701000
  1 1 1      -4  -10    6 o    34.58000      0.6609000       34.40000 0.9293000       34.77000      0.9400000     -0.3756000       1.322000
  1 1 1      -4  -10    7 o    4.458000      0.2548000       4.656000 0.3157000       4.259000      0.4001000      0.3971000      0.5097000
  1 1 1      -4  -10    8 o    6.058000      0.1640000       5.912000 0.2326000       6.204000      0.2313000     -0.2923000      0.3280000
  1 1 1      -4  -10    9 o    9.331000      0.1773000       9.340000 0.2511000       9.322000      0.2503000      0.1778000E-01  0.3545000
  1 1 1      -4  -10   10 o    6.586000      0.1826000       6.662000 0.2556000       6.510000      0.2607000      0.1520000      0.3651000
  1 1 1      -4  -10   11 o    4.210000      0.2340000       4.326000 0.3172000       4.093000      0.3441000      0.2330000      0.4680000
  1 1 1      -4  -10   12 o    14.70000      0.2274000       14.81000 0.3219000       14.58000      0.3213000      0.2309000      0.4548000
  1 1 1      -4  -10   13 o    5.078000      0.2219000       4.986000 0.3127000       5.170000      0.3149000     -0.1833000      0.4438000
  1 1 1      -4  -10   14 o    8.498000      0.1920000       8.428000 0.2680000       8.567000      0.2749000     -0.1397000      0.3840000
  1 1 1      -4  -10   15 o    3.612000      0.4143000       3.612000 0.4143000                  ?              ?              ?              ?
  1 1 1      -4  -10   16 o    13.29000      0.2232000       12.89000 0.3121000       13.69000      0.3191000     -0.7967000      0.4463000
  1 1 1      -4  -10   17 o    10.64000      0.2942000                  ?       ?   10.64000      0.2942000                  ?              ?
  1 1 1      -4  -10   18 o    6.949000      0.2174000       6.965000 0.3055000       6.933000      0.3095000      0.3160000E-01  0.4349000
  1 1 1      -4  -10   19 f    9.603000      0.2119000       9.805000 0.3009000       9.400000      0.2984000      0.4044000      0.4237000
  1 1 1      -4  -10   20 o    2.219000      0.4809000       1.982000 0.6876000       2.455000      0.6724000     -0.4734000      0.9618000
  1 1 1      -4  -10   21 o    7.806000      0.2322000       7.609000 0.3290000       8.003000      0.3277000     -0.3933000      0.4643000
  1 1 1      -4  -10   22 o    3.470000      0.4159000       3.349000 0.5882000       3.590000      0.5881000     -0.2406000      0.8318000
  1 1 1      -4  -10   23 o    6.415000      0.2604000       6.362000 0.3647000       6.469000      0.3719000     -0.1073000      0.5208000
  1 1 1      -4  -10   24 o    11.72000      0.3409000       12.02000 0.5035000       11.42000      0.4598000      0.6040000      0.6819000
  1 1 1      -4  -10   25 o    6.226000      0.4656000       5.849000 0.7587000       6.604000      0.5400000     -0.7559000      0.9313000
  1 1 1      -4  -10   26 o    9.104000      0.2465000       9.394000 0.3489000       8.814000      0.3483000      0.5799000      0.4930000
  1 1 1      -4  -10   27 o    10.33000      0.2514000       9.965000 0.3594000       10.69000      0.3515000     -0.7264000      0.5027000
  1 1 1      -4  -10   28 o    8.518000      0.3743000       8.273000 0.4701000       8.762000      0.5825000     -0.4891000      0.7485000
  1 1 1      -4  -10   29 o    2.125000      0.5290000       2.898000 0.8329000       1.353000      0.6523000       1.546000       1.058000
  1 1 1      -4  -10   30 o    5.412000      0.3857000       5.026000 0.5769000       5.799000      0.5121000     -0.7731000      0.7714000
  1 1 1      -4  -10   31 o    1.785000      0.5572000       1.958000 0.8268000       1.612000      0.7472000      0.3464000       1.114000
  1 1 1      -4  -10   32 o    7.560000      0.3268000       7.856000 0.4373000       7.263000      0.4859000      0.5929000      0.6537000
  1 1 1      -4  -10   33 o    2.505000      0.5964000       1.766000 0.7866000       3.244000      0.8968000      -1.477000       1.193000
  1 1 1      -4  -10   34 o    5.531000      0.4103000       5.825000 0.5561000       5.237000      0.6035000      0.5882000      0.8207000
  1 1 1      -4  -10   35 o    1.881000      0.5737000       1.844000 0.8065000       1.919000      0.8160000     -0.7532000E-01   1.147000
  1 1 1      -4  -10   36 o    3.371000      0.5954000       3.051000 0.8904000       3.691000      0.7906000     -0.6400000       1.191000
  1 1 1      -4   -9    1 o    11.95000      0.2489000       11.97000 0.3553000       11.93000      0.3486000      0.4165000E-01  0.4977000
  1 1 1      -4   -9    2 o    8.798000      0.2109000       8.733000 0.3039000       8.864000      0.2925000     -0.1317000      0.4218000
  1 1 1      -4   -9    3 o    11.48000      0.2492000       11.21000 0.3508000       11.75000      0.3540000     -0.5357000      0.4984000
  1 1 1      -4   -9    4 o    16.16000      0.2304000       16.40000 0.3298000       15.91000      0.3217000      0.4871000      0.4607000
  1 1 1      -4   -9    5 o    20.00000      0.2788000       20.04000 0.3950000       19.96000      0.3936000      0.8463000E-01  0.5576000
  1 1 1      -4   -9    6 o    30.00000      0.4081000       29.83000 0.5747000       30.17000      0.5796000     -0.3383000      0.8162000
  1 1 1      -4   -9    8 o    9.496000      0.2385000       9.369000 0.3262000       9.622000      0.3481000     -0.2530000      0.4770000
  1 1 1      -4   -9    9 o    17.12000      0.3493000       17.34000 0.4967000       16.90000      0.4914000      0.4438000      0.6987000
  1 1 1      -4   -9   10 o    7.284000      0.1734000       7.344000 0.2408000       7.224000      0.2497000      0.1202000      0.3469000
  1 1 1      -4   -9   11 o    15.75000      0.2359000       15.83000 0.3348000       15.67000      0.3324000      0.1553000      0.4718000
  1 1 1      -4   -9   12 o    12.47000      0.2051000       12.75000 0.2927000       12.19000      0.2873000      0.5628000      0.4101000
  1 1 1      -4   -9   13 o    12.09000      0.2039000       12.09000 0.2878000       12.08000      0.2889000      0.7417000E-02  0.4078000
  1 1 1      -4   -9   14 o    6.504000      0.1994000       6.511000 0.2796000       6.497000      0.2843000      0.1438000E-01  0.3988000
  1 1 1      -4   -9   15 o    1.905000      0.4413000       1.785000 0.6318000       2.026000      0.6165000     -0.2404000      0.8827000
  1 1 1      -4   -9   16 o    7.141000      0.2084000       6.983000 0.2951000       7.299000      0.2944000     -0.3161000      0.4169000
  1 1 1      -4   -9   17 o    14.98000      0.2392000       15.09000 0.3383000       14.87000      0.3384000      0.2203000      0.4785000
  1 1 1      -4   -9   18 o    12.07000      0.2211000       11.86000 0.3147000       12.28000      0.3106000     -0.4167000      0.4422000
  1 1 1      -4   -9   19 o    6.038000      0.2410000       6.210000 0.3381000       5.866000      0.3434000      0.3446000      0.4819000
  1 1 1      -4   -9   20 o    7.817000      0.2193000       7.997000 0.3067000       7.637000      0.3134000      0.3603000      0.4385000
  1 1 1      -4   -9   21 o    12.72000      0.2318000       12.81000 0.3274000       12.63000      0.3282000      0.1766000      0.4636000
  1 1 1      -4   -9   22 o    3.496000      0.4083000       3.854000 0.4787000       3.138000      0.6616000      0.7159000      0.8166000
  1 1 1      -4   -9   23 o    10.36000      0.2327000       10.11000 0.3308000       10.61000      0.3273000     -0.5050000      0.4654000
  1 1 1      -4   -9   24 o    9.285000      0.2351000       9.136000 0.3312000       9.433000      0.3339000     -0.2976000      0.4703000
  1 1 1      -4   -9   25 o    3.024000      0.6609000       3.614000 0.9735000       2.435000      0.8941000       1.179000       1.322000
  1 1 1      -4   -9   26 o    6.458000      0.4487000       6.397000 0.6961000       6.519000      0.5665000     -0.1218000      0.8975000
  1 1 1      -4   -9   27 o    3.894000      0.4416000       4.244000 0.5792000       3.543000      0.6667000      0.7010000      0.8832000
  1 1 1      -4   -9   28 o    2.838000      0.6643000       3.136000 0.8747000       2.540000       1.000000      0.5960000       1.329000
  1 1 1      -4   -9   29 o    9.053000      0.3846000       9.869000 0.4880000       8.236000      0.5944000       1.633000      0.7691000
  1 1 1      -4   -9   30 o    7.834000      0.2984000       7.411000 0.4305000       8.257000      0.4134000     -0.8453000      0.5968000
  1 1 1      -4   -9   31 o    2.807000      0.6275000       2.676000 0.8790000       2.938000      0.8958000     -0.2624000       1.255000
  1 1 1      -4   -9   32 f    5.952000      0.3790000       5.712000 0.5271000       6.191000      0.5447000     -0.4790000      0.7580000
  1 1 1      -4   -9   33 o    1.883000      0.5747000       1.894000 0.8114000       1.872000      0.8140000      0.2194000E-01   1.149000
  1 1 1      -4   -9   34 f    5.847000      0.3917000       5.694000 0.5668000       6.000000      0.5408000     -0.3059000      0.7834000
  1 1 1      -4   -9   35 o    2.252000      0.5814000       2.873000 0.8926000       1.632000      0.7453000       1.241000       1.163000
  1 1 1      -4   -9   36 o    4.779000      0.4630000       4.310000 0.7106000       5.247000      0.5937000     -0.9368000      0.9260000
  1 1 1      -4   -9   37 o    2.837000      0.6305000       2.531000 0.8993000       3.142000      0.8841000     -0.6116000       1.261000
  1 1 1      -4   -8    1 o    1.270000      0.2762000       1.026000 0.3928000       1.515000      0.3884000     -0.4888000      0.5524000
  1 1 1      -4   -8    2 o    31.80000      0.4290000       31.83000 0.6074000       31.78000      0.6061000      0.4999000E-01  0.8581000
  1 1 1      -4   -8    3 o    7.278000      0.1422000       7.267000 0.2014000       7.289000      0.2008000     -0.2216000E-01  0.2844000
  1 1 1      -4   -8    4 o    21.31000      0.4168000       21.42000 0.5932000       21.20000      0.5857000      0.2227000      0.8336000
  1 1 1      -4   -8    6 o    14.52000      0.3031000       14.80000 0.4381000       14.24000      0.4191000      0.5574000      0.6063000
  1 1 1      -4   -8    7 o    26.36000      0.3616000       26.02000 0.5057000       26.70000      0.5171000     -0.6779000      0.7233000
  1 1 1      -4   -8    8 o    10.75000      0.1802000       10.92000 0.2576000       10.58000      0.2521000      0.3318000      0.3605000
  1 1 1      -4   -8    9 o    18.39000      0.3707000       18.08000 0.5145000       18.69000      0.5339000     -0.6085000      0.7415000
  1 1 1      -4   -8   10 o    19.56000      0.3927000       19.28000 0.5459000       19.83000      0.5646000     -0.5492000      0.7853000
  1 1 1      -4   -8   12 o    7.093000      0.1829000       7.093000 0.2576000       7.094000      0.2598000     -0.1024000E-02  0.3659000
  1 1 1      -4   -8   13 o    10.20000      0.1896000       10.12000 0.2672000       10.29000      0.2691000     -0.1662000      0.3792000
  1 1 1      -4   -8   14 o    17.07000      0.2550000       17.00000 0.3588000       17.13000      0.3625000     -0.1304000      0.5100000
  1 1 1      -4   -8   15 o    6.228000      0.2049000       6.179000 0.2861000       6.276000      0.2933000     -0.9731000E-01  0.4097000
  1 1 1      -4   -8   16 o    13.15000      0.2205000       13.33000 0.3135000       12.98000      0.3102000      0.3500000      0.4410000
  1 1 1      -4   -8   17 o    4.897000      0.2482000       4.880000 0.3423000       4.914000      0.3595000     -0.3399000E-01  0.4964000
  1 1 1      -4   -8   18 f    8.344000      0.2107000       8.088000 0.2971000       8.600000      0.2990000     -0.5121000      0.4215000
  1 1 1      -4   -8   19 o    3.428000      0.3732000       3.554000 0.5104000       3.302000      0.5446000      0.2521000      0.7464000
  1 1 1      -4   -8   20 o    2.280000      0.4654000       2.751000 0.6344000       1.809000      0.6810000      0.9416000      0.9307000
  1 1 1      -4   -8   21 o    6.748000      0.2370000       7.044000 0.3202000       6.451000      0.3494000      0.5935000      0.4739000
  1 1 1      -4   -8   22 o    12.35000      0.2305000       12.44000 0.3289000       12.25000      0.3231000      0.1905000      0.4611000
  1 1 1      -4   -8   23 o    8.067000      0.2385000       8.179000 0.3391000       7.954000      0.3356000      0.2255000      0.4771000
  1 1 1      -4   -8   24 o    16.38000      0.2672000       16.63000 0.3819000       16.12000      0.3737000      0.5170000      0.5344000
  1 1 1      -4   -8   25 o    4.072000      0.4004000       4.091000 0.5673000       4.053000      0.5651000      0.3832000E-01  0.8007000
  1 1 1      -4   -8   26 o    8.117000      0.3697000       7.938000 0.5697000       8.296000      0.4713000     -0.3580000      0.7394000
  1 1 1      -4   -8   27 o    1.596000      0.5001000       1.542000 0.6886000       1.651000      0.7253000     -0.1083000       1.000000
  1 1 1      -4   -8   28 o    4.112000      0.4348000       3.859000 0.6443000       4.365000      0.5841000     -0.5058000      0.8697000
  1 1 1      -4   -8   29 o    6.469000      0.4272000       6.573000 0.5406000       6.366000      0.6617000      0.2068000      0.8544000
  1 1 1      -4   -8   30 o    10.32000      0.2730000       10.24000 0.3889000       10.40000      0.3833000     -0.1606000      0.5461000
  1 1 1      -4   -8   31 o    4.800000      0.4235000       4.701000 0.6025000       4.899000      0.5953000     -0.1976000      0.8470000
  1 1 1      -4   -8   32 o    1.852000      0.5621000       1.554000 0.7151000       2.149000      0.8675000     -0.5944000       1.124000
  1 1 1      -4   -8   33 o    6.823000      0.3469000       6.120000 0.5102000       7.526000      0.4703000      -1.407000      0.6939000
  1 1 1      -4   -8   34 o    7.401000      0.3294000       7.037000 0.4776000       7.765000      0.4537000     -0.7281000      0.6587000
  1 1 1      -4   -8   35 o    1.737000      0.5451000       1.864000 0.8024000       1.611000      0.7381000      0.2531000       1.090000
  1 1 1      -4   -8   36 o    5.640000      0.3847000       5.864000 0.5215000       5.416000      0.5657000      0.4482000      0.7694000
  1 1 1      -4   -8   37 o    2.456000      0.6143000       2.519000 0.8555000       2.392000      0.8818000      0.1266000       1.229000
  1 1 1      -4   -7    1 o    7.125000      0.1283000       7.113000 0.1811000       7.137000      0.1818000     -0.2358000E-01  0.2565000
  1 1 1      -4   -7    2 o    12.10000      0.1788000       12.24000 0.2552000       11.96000      0.2504000      0.2837000      0.3576000
  1 1 1      -4   -7    3 o    19.93000      0.2759000       20.08000 0.3926000       19.78000      0.3876000      0.3099000      0.5517000
  1 1 1      -4   -7    4 o    14.88000      0.2140000       14.87000 0.3029000       14.88000      0.3024000     -0.1372000E-01  0.4280000
  1 1 1      -4   -7    5 f    10.33000      0.1668000       10.15000 0.2330000       10.50000      0.2387000     -0.3482000      0.3336000
  1 1 1      -4   -7    6 o    21.40000      0.4203000       22.00000 0.6108000       20.80000      0.5776000       1.205000      0.8407000
  1 1 1      -4   -7    7 f    21.54000      0.4242000       21.93000 0.6106000       21.16000      0.5891000      0.7700000      0.8484000
  1 1 1      -4   -7    8 o    9.692000      0.1667000       9.859000 0.2389000       9.524000      0.2325000      0.3350000      0.3333000
  1 1 1      -4   -7    9 o    7.770000      0.1627000       7.735000 0.2305000       7.804000      0.2296000     -0.6897000E-01  0.3254000
  1 1 1      -4   -7   10 o    22.88000      0.3198000       23.38000 0.4604000       22.38000      0.4440000       1.002000      0.6396000
  1 1 1      -4   -7   11 o    15.52000      0.3265000       15.50000 0.4573000       15.53000      0.4660000     -0.3519000E-01  0.6529000
  1 1 1      -4   -7   12 o    2.967000      0.4046000       3.119000 0.5051000       2.815000      0.6322000      0.3043000      0.8092000
  1 1 1      -4   -7   13 o    8.726000      0.1809000       8.782000 0.2561000       8.671000      0.2555000      0.1118000      0.3618000
  1 1 1      -4   -7   14 o    11.68000      0.2488000       11.33000 0.2831000       12.03000      0.4092000     -0.7016000      0.4976000
  1 1 1      -4   -7   15 o    14.43000      0.2277000       14.29000 0.3199000       14.58000      0.3240000     -0.2926000      0.4553000
  1 1 1      -4   -7   16 o    9.485000      0.1910000       9.913000 0.2773000       9.056000      0.2626000      0.8569000      0.3819000
  1 1 1      -4   -7   17 o    7.133000      0.2051000       7.136000 0.2895000       7.130000      0.2907000      0.6215000E-02  0.4102000
  1 1 1      -4   -7   18 o    7.627000      0.2656000       7.798000 0.4332000       7.455000      0.3074000      0.3429000      0.5312000
  1 1 1      -4   -7   19 o    6.327000      0.2305000       6.209000 0.3297000       6.445000      0.3222000     -0.2362000      0.4610000
  1 1 1      -4   -7   20 o    6.849000      0.2264000       6.760000 0.3134000       6.939000      0.3269000     -0.1788000      0.4529000
  1 1 1      -4   -7   21 f    4.475000      0.3059000       4.640000 0.4081000       4.311000      0.4557000      0.3289000      0.6117000
  1 1 1      -4   -7   22 o    1.988000      0.4719000       1.440000 0.6274000       2.536000      0.7050000      -1.096000      0.9437000
  1 1 1      -4   -7   23 o    8.992000      0.2307000       9.103000 0.3298000       8.881000      0.3228000      0.2215000      0.4615000
  1 1 1      -4   -7   24 o    16.39000      0.2681000       16.18000 0.3767000       16.60000      0.3817000     -0.4243000      0.5363000
  1 1 1      -4   -7   25 o    5.134000      0.3168000       5.213000 0.4356000       5.056000      0.4600000      0.1577000      0.6336000
  1 1 1      -4   -7   26 o    4.446000      0.5446000       4.171000 0.8707000       4.722000      0.6544000     -0.5508000       1.089000
  1 1 1      -4   -7   27 o    3.066000      0.6788000       3.060000 1.024000       3.072000      0.8913000     -0.1214000E-01   1.358000
  1 1 1      -4   -7   28 o    2.464000      0.5666000       2.411000 0.8126000       2.517000      0.7897000     -0.1061000       1.133000
  1 1 1      -4   -7   29 o    2.325000      0.6414000       1.998000 0.8247000       2.653000      0.9826000     -0.6555000       1.283000
  1 1 1      -4   -7   30 o    7.309000      0.4262000       7.164000 0.5408000       7.454000      0.6589000     -0.2900000      0.8525000
  1 1 1      -4   -7   31 o    8.397000      0.2994000       8.601000 0.4205000       8.193000      0.4264000      0.4082000      0.5989000
  1 1 1      -4   -7   32 o    2.190000      0.6030000       2.367000 0.8727000       2.014000      0.8324000      0.3523000       1.206000
  1 1 1      -4   -7   33 o    6.358000      0.3594000       6.577000 0.4675000       6.140000      0.5461000      0.4368000      0.7189000
  1 1 1      -4   -7   34 o    5.502000      0.4025000       5.288000 0.5688000       5.715000      0.5695000     -0.4271000      0.8049000
  1 1 1      -4   -7   35 o    1.643000      0.5277000       1.437000 0.6799000       1.848000      0.8073000     -0.4117000       1.055000
  1 1 1      -4   -7   36 f    6.051000      0.3734000       6.339000 0.5073000       5.763000      0.5481000      0.5758000      0.7469000
  1 1 1      -4   -7   37 o    2.978000      0.5737000       3.749000 0.7530000       2.207000      0.8657000       1.542000       1.147000
  1 1 1      -4   -6    1 f    9.321000      0.1454000       9.484000 0.2081000       9.158000      0.2031000      0.3264000      0.2908000
  1 1 1      -4   -6    2 o    13.65000      0.1954000       13.56000 0.2749000       13.74000      0.2777000     -0.1820000      0.3907000
  1 1 1      -4   -6    3 f    8.350000      0.1416000       8.532000 0.2020000       8.168000      0.1983000      0.3637000      0.2831000
  1 1 1      -4   -6    4 o    7.364000      0.1737000       7.229000 0.1947000       7.499000      0.2878000     -0.2699000      0.3475000
  1 1 1      -4   -6    5 o    3.384000      0.1713000       3.384000 0.2390000       3.385000      0.2455000     -0.6325000E-03  0.3427000
  1 1 1      -4   -6    6 o    23.25000      0.3198000       23.52000 0.4571000       22.99000      0.4473000      0.5294000      0.6395000
  1 1 1      -4   -6    7 o    12.28000      0.1890000       12.22000 0.2659000       12.35000      0.2688000     -0.1274000      0.3781000
  1 1 1      -4   -6    8 o    10.88000      0.2534000       10.66000 0.3581000       11.10000      0.3587000     -0.4411000      0.5068000
  1 1 1      -4   -6    9 o    14.81000      0.3119000       15.08000 0.4492000       14.54000      0.4328000      0.5398000      0.6238000
  1 1 1      -4   -6   10 o    9.479000      0.1724000       9.506000 0.2435000       9.453000      0.2440000      0.5304000E-01  0.3447000
  1 1 1      -4   -6   11 o    16.35000      0.2412000       16.61000 0.3448000       16.09000      0.3375000      0.5297000      0.4825000
  1 1 1      -4   -6   12 o    3.119000      0.3868000       2.646000 0.6224000       3.592000      0.4593000     -0.9457000      0.7735000
  1 1 1      -4   -6   13 o    12.71000      0.2880000       12.50000 0.3998000       12.93000      0.4148000     -0.4322000      0.5761000
  1 1 1      -4   -6   14 f    12.01000      0.2032000       11.89000 0.2850000       12.13000      0.2898000     -0.2391000      0.4064000
  1 1 1      -4   -6   15 o    8.136000      0.1889000       8.050000 0.2655000       8.222000      0.2687000     -0.1723000      0.3777000
  1 1 1      -4   -6   16 o    7.835000      0.2755000       7.835000 0.2755000                  ?              ?              ?              ?
  1 1 1      -4   -6   17 f    13.66000      0.2258000       13.65000 0.3195000       13.67000      0.3192000     -0.1165000E-01  0.4516000
  1 1 1      -4   -6   18 o    5.317000      0.3524000                  ?       ?   5.317000      0.3524000                  ?              ?
  1 1 1      -4   -6   19 o    4.439000      0.2868000       4.323000 0.4142000       4.555000      0.3968000     -0.2319000      0.5736000
  1 1 1      -4   -6   20 o    6.927000      0.2257000       7.034000 0.3150000       6.820000      0.3234000      0.2136000      0.4515000
  1 1 1      -4   -6   21 o    6.887000      0.2281000       6.998000 0.3202000       6.776000      0.3250000      0.2224000      0.4562000
  1 1 1      -4   -6   22 o    3.801000      0.3724000       3.394000 0.5689000       4.209000      0.4808000     -0.8148000      0.7448000
  1 1 1      -4   -6   23 o    7.877000      0.2358000       7.684000 0.3400000       8.071000      0.3269000     -0.3869000      0.4716000
  1 1 1      -4   -6   24 f    15.37000      0.2582000       15.63000 0.3691000       15.11000      0.3613000      0.5231000      0.5165000
  1 1 1      -4   -6   25 o    2.885000      0.4947000       2.735000 0.7140000       3.035000      0.6848000     -0.3002000      0.9893000
  1 1 1      -4   -6   26 o    8.038000      0.3688000       7.749000 0.5720000       8.328000      0.4658000     -0.5791000      0.7377000
  1 1 1      -4   -6   27 o    10.59000      0.3644000       10.75000 0.5459000       10.42000      0.4829000      0.3275000      0.7288000
  1 1 1      -4   -6   28 o    7.559000      0.2770000       7.352000 0.4051000       7.767000      0.3778000     -0.4149000      0.5539000
  1 1 1      -4   -6   29 o    5.180000      0.3744000       5.578000 0.5713000       4.782000      0.4840000      0.7963000      0.7487000
  1 1 1      -4   -6   30 o    2.432000      0.6510000       1.653000 0.7655000       3.212000       1.053000      -1.559000       1.302000
  1 1 1      -4   -6   31 o    8.665000      0.2834000       9.019000 0.3946000       8.312000      0.4067000      0.7068000      0.5667000
  1 1 1      -4   -6   32 o    3.299000      0.6527000       3.400000 0.9893000       3.198000      0.8518000      0.2014000       1.305000
  1 1 1      -4   -6   33 o    2.351000      0.5995000       1.750000 0.7804000       2.952000      0.9102000      -1.202000       1.199000
  1 1 1      -4   -6   34 o    4.653000      0.4817000       5.149000 0.5984000       4.156000      0.7552000      0.9931000      0.9635000
  1 1 1      -4   -6   35 o    4.235000      0.5142000       4.570000 0.6378000       3.901000      0.8067000      0.6696000       1.028000
  1 1 1      -4   -6   36 o    6.841000      0.3353000       6.724000 0.4748000       6.957000      0.4737000     -0.2328000      0.6707000
  1 1 1      -4   -6   37 o    3.964000      0.5194000       3.926000 0.7277000       4.003000      0.7412000     -0.7682000E-01   1.039000
  1 1 1      -4   -5    1 f    5.190000      0.1158000       5.161000 0.1640000       5.220000      0.1634000     -0.5884000E-01  0.2315000
  1 1 1      -4   -5    2 o    11.34000      0.1672000       11.33000 0.2362000       11.34000      0.2367000     -0.6104000E-02  0.3344000
  1 1 1      -4   -5    3 o    3.833000      0.1382000       4.003000 0.1925000       3.663000      0.1984000      0.3403000      0.2764000
  1 1 1      -4   -5    4 o    20.83000      0.2863000       20.84000 0.4051000       20.81000      0.4046000      0.2949000E-01  0.5725000
  1 1 1      -4   -5    5 o    9.671000      0.1558000       9.775000 0.2217000       9.567000      0.2188000      0.2079000      0.3115000
  1 1 1      -4   -5    6 o    18.74000      0.2622000       18.60000 0.3681000       18.88000      0.3734000     -0.2858000      0.5243000
  1 1 1      -4   -5    7 o    15.83000      0.2278000       15.64000 0.3188000       16.02000      0.3254000     -0.3804000      0.4555000
  1 1 1      -4   -5    8 o    28.60000      0.3901000       27.70000 0.5352000       29.51000      0.5678000      -1.811000      0.7803000
  1 1 1      -4   -5    9 o    22.71000      0.4460000       22.38000 0.6237000       23.05000      0.6378000     -0.6688000      0.8921000
  1 1 1      -4   -5   10 f    13.65000      0.2063000       13.62000 0.2912000       13.68000      0.2924000     -0.5922000E-01  0.4126000
  1 1 1      -4   -5   11 o    17.85000      0.2577000       17.66000 0.3607000       18.04000      0.3682000     -0.3777000      0.5154000
  1 1 1      -4   -5   12 o    21.49000      0.4279000       21.22000 0.5964000       21.76000      0.6138000     -0.5463000      0.8558000
  1 1 1      -4   -5   13 o    11.01000      0.2682000       10.78000 0.3712000       11.24000      0.3874000     -0.4581000      0.5365000
  1 1 1      -4   -5   14 o    9.681000      0.1858000       9.758000 0.2635000       9.605000      0.2622000      0.1531000      0.3717000
  1 1 1      -4   -5   15 o    6.711000      0.1928000       6.699000 0.2726000       6.724000      0.2727000     -0.2506000E-01  0.3855000
  1 1 1      -4   -5   16 o    2.990000      0.3976000       3.207000 0.4521000       2.774000      0.6542000      0.4326000      0.7952000
  1 1 1      -4   -5   17 o    4.501000      0.2527000       4.016000 0.3809000       4.986000      0.3321000     -0.9697000      0.5054000
  1 1 1      -4   -5   18 o    7.595000      0.2887000                  ?       ?   7.595000      0.2887000                  ?              ?
  1 1 1      -4   -5   19 o    3.962000      0.3093000       3.827000 0.4471000       4.097000      0.4275000     -0.2700000      0.6186000
  1 1 1      -4   -5   20 o    3.832000      0.3294000       4.044000 0.4552000       3.620000      0.4763000      0.4241000      0.6588000
  1 1 1      -4   -5   21 o    6.342000      0.2367000       6.177000 0.3430000       6.506000      0.3262000     -0.3290000      0.4733000
  1 1 1      -4   -5   22 o    6.117000      0.2547000       5.904000 0.3652000       6.330000      0.3551000     -0.4265000      0.5094000
  1 1 1      -4   -5   23 o    3.732000      0.3772000       3.813000 0.5189000       3.650000      0.5475000      0.1628000      0.7543000
  1 1 1      -4   -5   24 o    13.55000      0.2434000       13.86000 0.3492000       13.25000      0.3391000      0.6164000      0.4867000
  1 1 1      -4   -5   25 o    8.292000      0.2394000       8.104000 0.3402000       8.479000      0.3369000     -0.3744000      0.4788000
  1 1 1      -4   -5   26 o    11.82000      0.3402000       12.20000 0.5034000       11.45000      0.4579000      0.7593000      0.6805000
  1 1 1      -4   -5   27 o    7.531000      0.3822000       8.144000 0.5590000       6.918000      0.5214000       1.226000      0.7644000
  1 1 1      -4   -5   28 o    13.12000      0.2563000       12.94000 0.3642000       13.29000      0.3607000     -0.3559000      0.5126000
  1 1 1      -4   -5   29 o    4.384000      0.4241000       4.352000 0.5954000       4.417000      0.6042000     -0.6476000E-01  0.8483000
  1 1 1      -4   -5   30 o    2.607000      0.7092000       2.488000 0.9505000       2.725000       1.053000     -0.2368000       1.418000
  1 1 1      -4   -5   31 o    2.854000      0.6010000       2.983000 0.8379000       2.725000      0.8616000      0.2577000       1.202000
  1 1 1      -4   -5   32 f    6.530000      0.3525000       6.721000 0.4871000       6.339000      0.5096000      0.3814000      0.7050000
  1 1 1      -4   -5   33 o    5.389000      0.4176000       4.880000 0.6269000       5.898000      0.5519000      -1.018000      0.8352000
  1 1 1      -4   -5   34 o    3.590000      0.5964000       3.140000 0.8735000       4.041000      0.8121000     -0.9017000       1.193000
  1 1 1      -4   -5   35 o    4.207000      0.5194000       4.296000 0.7157000       4.118000      0.7530000      0.1776000       1.039000
  1 1 1      -4   -5   36 o    2.260000      0.5806000       2.850000 0.8792000       1.670000      0.7586000       1.180000       1.161000
  1 1 1      -4   -5   37 o    6.152000      0.3563000       6.232000 0.5129000       6.073000      0.4947000      0.1587000      0.7127000
  1 1 1      -4   -4    1 o    14.40000      0.2014000       14.38000 0.2843000       14.43000      0.2855000     -0.5124000E-01  0.4029000
  1 1 1      -4   -4    2 o    8.634000      0.1365000       8.461000 0.1911000       8.806000      0.1951000     -0.3449000      0.2731000
  1 1 1      -4   -4    3 o    8.021000      0.1336000       8.233000 0.1918000       7.808000      0.1859000      0.4251000      0.2672000
  1 1 1      -4   -4    4 o    8.962000      0.1454000       9.275000 0.2102000       8.649000      0.2011000      0.6260000      0.2909000
  1 1 1      -4   -4    5 o    9.656000      0.1535000       9.815000 0.2192000       9.498000      0.2149000      0.3173000      0.3070000
  1 1 1      -4   -4    6 o    20.61000      0.2850000       20.91000 0.4083000       20.30000      0.3978000      0.6135000      0.5701000
  1 1 1      -4   -4    7 o    19.08000      0.2669000       19.27000 0.3811000       18.88000      0.3738000      0.3912000      0.5338000
  1 1 1      -4   -4    8 o    6.576000      0.1488000       6.700000 0.2110000       6.452000      0.2098000      0.2478000      0.2975000
  1 1 1      -4   -4   10 o    13.21000      0.2854000       13.16000 0.4051000       13.26000      0.4023000     -0.1023000      0.5709000
  1 1 1      -4   -4   11 o    25.55000      0.3525000       25.68000 0.5007000       25.41000      0.4964000      0.2614000      0.7051000
  1 1 1      -4   -4   12 o    14.46000      0.2199000       14.01000 0.3035000       14.92000      0.3182000     -0.9181000      0.4398000
  1 1 1      -4   -4   13 o    7.918000      0.2471000       8.232000 0.3436000       7.604000      0.3552000      0.6282000      0.4941000
  1 1 1      -4   -4   14 o    5.169000      0.2014000       5.000000 0.2971000       5.339000      0.2721000     -0.3395000      0.4029000
  1 1 1      -4   -4   15 f    8.588000      0.1864000       8.687000 0.2646000       8.489000      0.2626000      0.1977000      0.3728000
  1 1 1      -4   -4   16 o    6.456000      0.2001000       6.286000 0.2856000       6.627000      0.2803000     -0.3416000      0.4002000
  1 1 1      -4   -4   17 o    7.058000      0.2022000       7.072000 0.2922000       7.044000      0.2796000      0.2773000E-01  0.4044000
  1 1 1      -4   -4   18 o    6.562000      0.2115000       6.684000 0.3014000       6.440000      0.2968000      0.2442000      0.4230000
  1 1 1      -4   -4   19 o    3.057000      0.4030000       3.514000 0.5019000       2.599000      0.6306000      0.9157000      0.8059000
  1 1 1      -4   -4   20 o    6.012000      0.2394000       5.754000 0.3557000       6.270000      0.3207000     -0.5156000      0.4789000
  1 1 1      -4   -4   21 o    2.303000      0.4621000       1.893000 0.6855000       2.714000      0.6197000     -0.8207000      0.9241000
  1 1 1      -4   -4   22 o    6.640000      0.2416000       6.652000 0.3395000       6.629000      0.3438000      0.2284000E-01  0.4832000
  1 1 1      -4   -4   23 f    2.728000      0.4901000       2.893000 0.6587000       2.564000      0.7259000      0.3295000      0.9802000
  1 1 1      -4   -4   24 o    4.634000      0.3328000       4.972000 0.4340000       4.295000      0.5046000      0.6777000      0.6656000
  1 1 1      -4   -4   25 o    4.466000      0.3405000       4.643000 0.4595000       4.289000      0.5028000      0.3537000      0.6811000
  1 1 1      -4   -4   26 o    4.352000      0.5289000       4.220000 0.8100000       4.485000      0.6802000     -0.2649000       1.058000
  1 1 1      -4   -4   27 o    2.041000      0.6004000       1.926000 0.8524000       2.156000      0.8459000     -0.2295000       1.201000
  1 1 1      -4   -4   28 o    8.660000      0.2491000       8.800000 0.3487000       8.519000      0.3557000      0.2812000      0.4981000
  1 1 1      -4   -4   29 o    7.395000      0.2805000       7.594000 0.3906000       7.197000      0.4026000      0.3973000      0.5610000
  1 1 1      -4   -4   30 o    2.068000      0.6332000       1.929000 0.8511000       2.207000      0.9378000     -0.2778000       1.266000
  1 1 1      -4   -4   31 o    9.774000      0.2717000       10.05000 0.3828000       9.500000      0.3856000      0.5474000      0.5434000
  1 1 1      -4   -4   32 o    10.52000      0.2783000       10.75000 0.3910000       10.30000      0.3961000      0.4559000      0.5566000
  1 1 1      -4   -4   33 o    2.433000      0.5922000       1.792000 0.7912000       3.075000      0.8813000      -1.283000       1.184000
  1 1 1      -4   -4   34 o    8.128000      0.3123000       8.059000 0.4421000       8.197000      0.4412000     -0.1384000      0.6246000
  1 1 1      -4   -4   35 o    2.482000      0.6182000       2.193000 0.8535000       2.771000      0.8944000     -0.5786000       1.236000
  1 1 1      -4   -4   36 o    4.113000      0.5135000       4.112000 0.7327000       4.115000      0.7197000     -0.2598000E-02   1.027000
  1 1 1      -4   -4   37 o    4.929000      0.4283000       4.732000 0.6425000       5.125000      0.5666000     -0.3925000      0.8566000
  1 1 1      -4   -3    1 o    20.64000      0.2807000       20.41000 0.3927000       20.86000      0.4012000     -0.4487000      0.5614000
  1 1 1      -4   -3    2 o    15.94000      0.2213000       15.62000 0.3072000       16.27000      0.3185000     -0.6462000      0.4426000
  1 1 1      -4   -3    3 o    6.945000      0.1221000       6.693000 0.1691000       7.198000      0.1763000     -0.5051000      0.2443000
  1 1 1      -4   -3    4 o    17.28000      0.2412000       17.18000 0.3382000       17.39000      0.3439000     -0.2188000      0.4823000
  1 1 1      -4   -3    5 o    7.299000      0.1332000       7.041000 0.1857000       7.558000      0.1910000     -0.5166000      0.2664000
  1 1 1      -4   -3    6 o    6.349000      0.1335000       6.405000 0.1881000       6.292000      0.1894000      0.1128000      0.2670000
  1 1 1      -4   -3    7 o    16.71000      0.2908000       16.50000 0.3323000       16.91000      0.4773000     -0.4121000      0.5816000
  1 1 1      -4   -3    8 o    16.24000      0.2333000       16.46000 0.3332000       16.02000      0.3266000      0.4400000      0.4666000
  1 1 1      -4   -3    9 o    7.851000      0.1541000       7.845000 0.2191000       7.858000      0.2167000     -0.1319000E-01  0.3081000
  1 1 1      -4   -3   10 o    6.416000      0.2211000       6.909000 0.3157000       5.924000      0.3096000      0.9847000      0.4422000
  1 1 1      -4   -3   11 o    21.36000      0.3000000       21.62000 0.4279000       21.11000      0.4207000      0.5079000      0.6001000
  1 1 1      -4   -3   12 o    12.23000      0.1968000       12.30000 0.2788000       12.16000      0.2777000      0.1409000      0.3935000
  1 1 1      -4   -3   13 o    7.130000      0.2446000       7.446000 0.3382000       6.814000      0.3535000      0.6326000      0.4893000
  1 1 1      -4   -3   14 o    5.101000      0.2402000       4.861000 0.2843000       5.340000      0.3872000     -0.4794000      0.4804000
  1 1 1      -4   -3   15 o    5.472000      0.2034000       5.455000 0.2882000       5.490000      0.2870000     -0.3502000E-01  0.4068000
  1 1 1      -4   -3   16 o    8.650000      0.1873000       8.574000 0.2653000       8.726000      0.2646000     -0.1515000      0.3747000
  1 1 1      -4   -3   17 f    3.486000      0.3012000       3.237000 0.4446000       3.736000      0.4063000     -0.4984000      0.6023000
  1 1 1      -4   -3   18 o    8.659000      0.1983000       8.627000 0.2822000       8.691000      0.2787000     -0.6455000E-01  0.3966000
  1 1 1      -4   -3   19 o    4.059000      0.3046000       3.920000 0.4428000       4.198000      0.4183000     -0.2783000      0.6091000
  1 1 1      -4   -3   20 f    4.449000      0.2833000       4.226000 0.4247000       4.671000      0.3750000     -0.4452000      0.5666000
  1 1 1      -4   -3   21 o    3.148000      0.3866000       3.349000 0.5261000       2.948000      0.5667000      0.4006000      0.7732000
  1 1 1      -4   -3   22 o    4.725000      0.2949000       5.188000 0.3791000       4.261000      0.4519000      0.9266000      0.5899000
  1 1 1      -4   -3   23 o    6.956000      0.2413000       6.830000 0.3436000       7.081000      0.3389000     -0.2512000      0.4826000
  1 1 1      -4   -3   24 f    3.862000      0.3751000       4.019000 0.5183000       3.706000      0.5425000      0.3128000      0.7503000
  1 1 1      -4   -3   25 o    2.601000      0.5113000       2.806000 0.7044000       2.396000      0.7414000      0.4104000       1.023000
  1 1 1      -4   -3   26 o    3.487000      0.5852000       3.451000 0.8816000       3.523000      0.7697000     -0.7181000E-01   1.170000
  1 1 1      -4   -3   27 o    3.027000      0.6118000       2.501000 0.9483000       3.553000      0.7733000      -1.052000       1.224000
  1 1 1      -4   -3   28 o    8.073000      0.2583000       7.827000 0.3745000       8.320000      0.3559000     -0.4930000      0.5167000
  1 1 1      -4   -3   29 o    12.85000      0.3040000       13.19000 0.4964000       12.51000      0.3512000      0.6830000      0.6081000
  1 1 1      -4   -3   30 o    3.045000      0.6904000       2.598000 0.9523000       3.492000       1.000000     -0.8935000       1.381000
  1 1 1      -4   -3   31 o    8.097000      0.2866000       8.154000 0.4134000       8.040000      0.3971000      0.1138000      0.5732000
  1 1 1      -4   -3   32 o    6.578000      0.3344000       6.318000 0.4822000       6.839000      0.4635000     -0.5209000      0.6688000
  1 1 1      -4   -3   33 o    6.887000      0.3411000       6.946000 0.4717000       6.828000      0.4930000      0.1183000      0.6823000
  1 1 1      -4   -3   34 o    9.894000      0.2854000       9.991000 0.4003000       9.797000      0.4068000      0.1941000      0.5707000
  1 1 1      -4   -3   35 o    4.399000      0.4834000       4.242000 0.6851000       4.556000      0.6821000     -0.3135000      0.9667000
  1 1 1      -4   -3   36 o    2.875000      0.6120000       3.285000 0.8608000       2.465000      0.8700000      0.8195000       1.224000
  1 1 1      -4   -3   37 o    2.016000      0.5801000       1.800000 0.7953000       2.231000      0.8446000     -0.4304000       1.160000
  1 1 1      -4   -3   38 f    5.038000      0.8663000                  ?       ?   5.038000      0.8663000                  ?              ?
  1 1 1      -4   -2    1 o    3.730000      0.1034000       3.724000 0.1491000       3.737000      0.1433000     -0.1330000E-01  0.2068000
  1 1 1      -4   -2    2 o    7.755000      0.1253000       7.859000 0.1791000       7.651000      0.1754000      0.2072000      0.2507000
  1 1 1      -4   -2    3 o    9.062000      0.1406000       9.354000 0.2027000       8.771000      0.1948000      0.5826000      0.2811000
  1 1 1      -4   -2    4 o    6.618000      0.1237000       6.566000 0.1730000       6.669000      0.1769000     -0.1029000      0.2474000
  1 1 1      -4   -2    5 o    11.57000      0.1728000       11.38000 0.2413000       11.76000      0.2473000     -0.3792000      0.3455000
  1 1 1      -4   -2    6 o    4.372000      0.1366000       4.096000 0.1947000       4.647000      0.1915000     -0.5507000      0.2731000
  1 1 1      -4   -2    7 o    7.228000      0.1740000       6.935000 0.1964000       7.522000      0.2872000     -0.5871000      0.3479000
  1 1 1      -4   -2    8 f    19.02000      0.2675000       18.76000 0.3746000       19.28000      0.3819000     -0.5194000      0.5349000
  1 1 1      -4   -2    9 f    6.331000      0.1500000       6.472000 0.2135000       6.189000      0.2108000      0.2836000      0.3000000
  1 1 1      -4   -2   10 o    9.293000      0.2319000       9.782000 0.3362000       8.803000      0.3194000      0.9792000      0.4637000
  1 1 1      -4   -2   11 o    12.44000      0.1955000       12.32000 0.2747000       12.56000      0.2783000     -0.2407000      0.3910000
  1 1 1      -4   -2   12 f    7.051000      0.1669000       7.111000 0.2348000       6.991000      0.2373000      0.1206000      0.3338000
  1 1 1      -4   -2   13 o    5.995000      0.2499000       6.024000 0.3502000       5.967000      0.3566000      0.5709000E-01  0.4998000
  1 1 1      -4   -2   14 o    5.807000      0.1837000       6.104000 0.2584000       5.511000      0.2612000      0.5929000      0.3674000
  1 1 1      -4   -2   15 o    17.26000      0.2563000       16.98000 0.3574000       17.55000      0.3674000     -0.5654000      0.5125000
  1 1 1      -4   -2   16 o    5.737000      0.2018000       5.811000 0.2789000       5.662000      0.2916000      0.1490000      0.4035000
  1 1 1      -4   -2   17 o    3.100000      0.4689000       3.100000 0.4689000                  ?              ?              ?              ?
  1 1 1      -4   -2   18 o    4.433000      0.2552000       4.406000 0.3617000       4.461000      0.3601000     -0.5469000E-01  0.5103000
  1 1 1      -4   -2   19 o    4.386000      0.3796000                  ?       ?   4.386000      0.3796000                  ?              ?
  1 1 1      -4   -2   20 o    1.879000      0.4683000       1.969000 0.6737000       1.789000      0.6505000      0.1800000      0.9365000
  1 1 1      -4   -2   21 o    6.857000      0.2232000       6.765000 0.3243000       6.950000      0.3068000     -0.1845000      0.4465000
  1 1 1      -4   -2   22 o    4.122000      0.3248000       4.261000 0.4429000       3.984000      0.4753000      0.2774000      0.6496000
  1 1 1      -4   -2   23 o    5.644000      0.2692000       5.898000 0.3668000       5.389000      0.3940000      0.5089000      0.5383000
  1 1 1      -4   -2   24 o    5.881000      0.3283000       5.730000 0.5381000       6.033000      0.3763000     -0.3032000      0.6566000
  1 1 1      -4   -2   25 o    11.13000      0.2319000       11.39000 0.3313000       10.87000      0.3244000      0.5182000      0.4637000
  1 1 1      -4   -2   26 f    9.450000      0.3273000       9.697000 0.4787000       9.202000      0.4466000      0.4947000      0.6547000
  1 1 1      -4   -2   27 o    2.047000      0.5879000       1.917000 0.8270000       2.177000      0.8360000     -0.2595000       1.176000
  1 1 1      -4   -2   28 o    11.64000      0.2451000       11.72000 0.3486000       11.56000      0.3446000      0.1633000      0.4902000
  1 1 1      -4   -2   29 o    9.924000      0.3632000       10.14000 0.4926000       9.712000      0.5339000      0.4253000      0.7264000
  1 1 1      -4   -2   30 o    4.070000      0.6509000       4.296000 0.8612000       3.844000      0.9762000      0.4520000       1.302000
  1 1 1      -4   -2   31 o    8.249000      0.2824000       8.099000 0.4116000       8.400000      0.3868000     -0.3012000      0.5648000
  1 1 1      -4   -2   32 o    4.231000      0.4552000       3.887000 0.6855000       4.574000      0.5992000     -0.6869000      0.9105000
  1 1 1      -4   -2   33 o    4.646000      0.4459000       4.935000 0.5875000       4.358000      0.6710000      0.5774000      0.8918000
  1 1 1      -4   -2   34 o    6.457000      0.3450000       6.243000 0.4969000       6.670000      0.4788000     -0.4270000      0.6901000
  1 1 1      -4   -2   35 o    7.475000      0.3127000       7.245000 0.4497000       7.704000      0.4345000     -0.4591000      0.6253000
  1 1 1      -4   -2   36 o    5.564000      0.3839000       5.881000 0.5310000       5.248000      0.5545000      0.6323000      0.7677000
  1 1 1      -4   -2   37 o    1.839000      0.5629000       1.963000 0.8296000       1.715000      0.7609000      0.2481000       1.126000
  1 1 1      -4   -2   38 o    4.238000      0.6099000       4.977000 0.8976000       3.500000      0.8261000       1.477000       1.220000
  1 1 1      -4   -1    1 o    19.58000      0.2667000       19.28000 0.3714000       19.88000      0.3827000     -0.5983000      0.5333000
  1 1 1      -4   -1    2 o    17.26000      0.2375000       17.22000 0.3352000       17.29000      0.3366000     -0.7393000E-01  0.4750000
  1 1 1      -4   -1    3 o    13.69000      0.1938000       13.59000 0.2722000       13.80000      0.2759000     -0.2032000      0.3876000
  1 1 1      -4   -1    4 o    6.417000      0.1226000       6.512000 0.1735000       6.321000      0.1732000      0.1905000      0.2452000
  1 1 1      -4   -1    5 o    22.64000      0.3834000       22.02000 0.4278000       23.26000      0.6364000      -1.245000      0.7668000
  1 1 1      -4   -1    6 o    8.382000      0.1762000       8.435000 0.2038000       8.330000      0.2874000      0.1050000      0.3524000
  1 1 1      -4   -1    7 o    18.46000      0.2583000       18.09000 0.3587000       18.82000      0.3716000     -0.7343000      0.5165000
  1 1 1      -4   -1    8 o    6.815000      0.1755000       7.065000 0.2868000       6.565000      0.2024000      0.5001000      0.3510000
  1 1 1      -4   -1    9 o    5.774000      0.1501000       5.973000 0.2114000       5.574000      0.2132000      0.3985000      0.3003000
  1 1 1      -4   -1   10 o    23.37000      0.4577000       23.42000 0.6489000       23.32000      0.6457000      0.9620000E-01  0.9154000
  1 1 1      -4   -1   11 o    17.50000      0.2520000       17.35000 0.3536000       17.64000      0.3591000     -0.2901000      0.5040000
  1 1 1      -4   -1   12 o    12.60000      0.1998000       12.34000 0.2773000       12.86000      0.2879000     -0.5196000      0.3997000
  1 1 1      -4   -1   13 o    10.57000      0.2600000       10.57000 0.3645000       10.58000      0.3707000     -0.9241000E-02  0.5199000
  1 1 1      -4   -1   14 o    14.74000      0.2259000       14.64000 0.3176000       14.84000      0.3212000     -0.2038000      0.4518000
  1 1 1      -4   -1   15 o    6.260000      0.1873000       6.122000 0.2654000       6.399000      0.2644000     -0.2768000      0.3746000
  1 1 1      -4   -1   16 o    6.579000      0.1924000       6.811000 0.2691000       6.346000      0.2750000      0.4655000      0.3848000
  1 1 1      -4   -1   17 o    4.808000      0.3173000       4.808000 0.3173000                  ?              ?              ?              ?
  1 1 1      -4   -1   18 o    4.605000      0.2503000       4.337000 0.3702000       4.873000      0.3369000     -0.5357000      0.5005000
  1 1 1      -4   -1   19 o    7.429000      0.2918000                  ?       ?   7.429000      0.2918000                  ?              ?
  1 1 1      -4   -1   20 o    2.462000      0.4435000       2.523000 0.6287000       2.401000      0.6257000      0.1223000      0.8870000
  1 1 1      -4   -1   21 o    1.977000      0.4657000       1.744000 0.6630000       2.210000      0.6543000     -0.4663000      0.9315000
  1 1 1      -4   -1   22 o    4.143000      0.3237000       3.723000 0.4937000       4.563000      0.4187000     -0.8398000      0.6473000
  1 1 1      -4   -1   23 o    8.016000      0.2259000       7.902000 0.3210000       8.130000      0.3180000     -0.2281000      0.4518000
  1 1 1      -4   -1   24 o    6.406000      0.2489000       6.336000 0.3577000       6.477000      0.3463000     -0.1412000      0.4978000
  1 1 1      -4   -1   25 o    7.947000      0.2354000       7.819000 0.3290000       8.074000      0.3366000     -0.2550000      0.4707000
  1 1 1      -4   -1   26 o    1.928000      0.5588000       1.782000 0.7808000       2.074000      0.7997000     -0.2923000       1.118000
  1 1 1      -4   -1   27 o    6.954000      0.2642000       7.037000 0.3775000       6.871000      0.3698000      0.1660000      0.5284000
  1 1 1      -4   -1   28 o    10.75000      0.2448000       10.60000 0.3484000       10.90000      0.3439000     -0.2967000      0.4895000
  1 1 1      -4   -1   29 o    8.002000      0.3871000       8.507000 0.5170000       7.497000      0.5763000       1.009000      0.7742000
  1 1 1      -4   -1   30 o    5.419000      0.3463000       5.646000 0.4672000       5.191000      0.5114000      0.4557000      0.6926000
  1 1 1      -4   -1   31 o    7.996000      0.2824000       7.812000 0.4159000       8.180000      0.3821000     -0.3684000      0.5648000
  1 1 1      -4   -1   32 o    4.488000      0.4447000       4.289000 0.6564000       4.686000      0.6002000     -0.3961000      0.8894000
  1 1 1      -4   -1   33 o    7.853000      0.3025000       8.103000 0.3965000       7.604000      0.4568000      0.4987000      0.6049000
  1 1 1      -4   -1   34 o    4.227000      0.4692000       4.092000 0.6875000       4.361000      0.6387000     -0.2687000      0.9384000
  1 1 1      -4   -1   35 o    9.234000      0.2856000       9.495000 0.4007000       8.974000      0.4069000      0.5207000      0.5711000
  1 1 1      -4   -1   36 f    4.152000      0.5180000       3.462000 0.8236000       4.842000      0.6283000      -1.380000       1.036000
  1 1 1      -4   -1   37 o    1.973000      0.5704000       2.138000 0.8389000       1.807000      0.7731000      0.3314000       1.141000
  1 1 1      -4   -1   38 f    2.646000      0.6521000       2.480000 0.9917000       2.811000      0.8469000     -0.3315000       1.304000
  1 1 1      -4    0    1 o    15.02000      0.2083000       15.25000 0.2983000       14.80000      0.2909000      0.4479000      0.4167000
  1 1 1      -4    0    2 o    9.991000      0.1485000       10.04000 0.2106000       9.944000      0.2095000      0.9524000E-01  0.2970000
  1 1 1      -4    0    3 o    13.88000      0.1964000       13.81000 0.2763000       13.94000      0.2791000     -0.1313000      0.3927000
  1 1 1      -4    0    4 o    23.38000      0.3190000       23.79000 0.4592000       22.96000      0.4429000      0.8332000      0.6380000
  1 1 1      -4    0    5 o    21.72000      0.3695000       21.08000 0.4112000       22.36000      0.6140000      -1.283000      0.7389000
  1 1 1      -4    0    6 o    20.10000      0.3418000       20.26000 0.5611000       19.93000      0.3904000      0.3209000      0.6836000
  1 1 1      -4    0    7 o    20.82000      0.2884000       21.09000 0.4130000       20.54000      0.4027000      0.5529000      0.5768000
  1 1 1      -4    0    8 o    8.497000      0.1872000       8.682000 0.2162000       8.312000      0.3056000      0.3700000      0.3744000
  1 1 1      -4    0    9 o    7.159000      0.2080000       7.568000 0.3048000       6.750000      0.2830000      0.8177000      0.4159000
  1 1 1      -4    0   10 o    1.272000      0.3540000       1.349000 0.5518000       1.194000      0.4437000      0.1551000      0.7081000
  1 1 1      -4    0   11 o    19.37000      0.2748000       19.18000 0.3851000       19.57000      0.3921000     -0.3961000      0.5496000
  1 1 1      -4    0   12 o    18.67000      0.3794000       17.92000 0.5162000       19.42000      0.5561000      -1.504000      0.7587000
  1 1 1      -4    0   13 o    16.28000      0.3415000       16.76000 0.4913000       15.81000      0.4746000      0.9482000      0.6831000
  1 1 1      -4    0   14 o    11.15000      0.1909000       10.89000 0.2658000       11.41000      0.2743000     -0.5224000      0.3819000
  1 1 1      -4    0   15 o    9.551000      0.1850000       9.393000 0.2605000       9.709000      0.2628000     -0.3163000      0.3700000
  1 1 1      -4    0   16 o    8.773000      0.1844000       8.792000 0.2598000       8.754000      0.2618000      0.3834000E-01  0.3688000
  1 1 1      -4    0   17 o    16.20000      0.2483000       15.94000 0.3459000       16.46000      0.3562000     -0.5189000      0.4965000
  1 1 1      -4    0   18 o    11.21000      0.2050000       11.38000 0.2902000       11.04000      0.2895000      0.3375000      0.4099000
  1 1 1      -4    0   19 o    7.570000      0.2005000       7.789000 0.2872000       7.351000      0.2797000      0.4382000      0.4009000
  1 1 1      -4    0   20 o    3.042000      0.3764000       3.441000 0.4779000       2.642000      0.5816000      0.7989000      0.7528000
  1 1 1      -4    0   21 o    3.171000      0.3671000       3.069000 0.5492000       3.273000      0.4872000     -0.2037000      0.7342000
  1 1 1      -4    0   22 o    5.881000      0.2473000       5.660000 0.3507000       6.101000      0.3489000     -0.4415000      0.4947000
  1 1 1      -4    0   23 o    5.642000      0.2650000       5.336000 0.3938000       5.948000      0.3546000     -0.6119000      0.5299000
  1 1 1      -4    0   24 o    4.030000      0.3476000       3.974000 0.4793000       4.086000      0.5034000     -0.1123000      0.6951000
  1 1 1      -4    0   25 o    4.074000      0.3578000       3.780000 0.5466000       4.367000      0.4620000     -0.5865000      0.7156000
  1 1 1      -4    0   26 o    1.994000      0.5622000       2.170000 0.8112000       1.818000      0.7785000      0.3515000       1.124000
  1 1 1      -4    0   27 o    6.627000      0.2638000       6.183000 0.3936000       7.070000      0.3514000     -0.8871000      0.5276000
  1 1 1      -4    0   28 o    6.047000      0.3016000       5.805000 0.4540000       6.289000      0.3972000     -0.4844000      0.6032000
  1 1 1      -4    0   29 o    6.772000      0.4224000       6.446000 0.6058000       7.098000      0.5887000     -0.6520000      0.8447000
  1 1 1      -4    0   30 o    11.33000      0.2546000       11.22000 0.3668000       11.43000      0.3533000     -0.2070000      0.5093000
  1 1 1      -4    0   31 o    12.36000      0.2625000       12.54000 0.3689000       12.18000      0.3734000      0.3618000      0.5249000
  1 1 1      -4    0   32 o    6.135000      0.3328000       5.763000 0.4963000       6.507000      0.4436000     -0.7439000      0.6657000
  1 1 1      -4    0   33 o    3.456000      0.5711000       3.345000 0.8176000       3.567000      0.7974000     -0.2218000       1.142000
  1 1 1      -4    0   34 o    3.752000      0.5056000       4.234000 0.6544000       3.270000      0.7709000      0.9639000       1.011000
  1 1 1      -4    0   35 o    7.336000      0.3160000       7.280000 0.4599000       7.392000      0.4334000     -0.1112000      0.6319000
  1 1 1      -4    0   36 o    4.535000      0.4624000       4.801000 0.6061000       4.269000      0.6984000      0.5315000      0.9247000
  1 1 1      -4    0   37 o    2.163000      0.5898000       2.313000 0.8709000       2.012000      0.7956000      0.3007000       1.180000
  1 1 1      -4    0   38 f    2.795000      0.6690000       2.793000 1.012000       2.796000      0.8750000     -0.3176000E-02   1.338000
  1 1 1      -4    1    1 o    17.06000      0.2357000       17.25000 0.3365000       16.87000      0.3300000      0.3766000      0.4713000
  1 1 1      -4    1    2 o    18.50000      0.2545000       18.62000 0.3614000       18.38000      0.3584000      0.2343000      0.5090000
  1 1 1      -4    1    3 o    17.54000      0.2430000       17.60000 0.3446000       17.48000      0.3427000      0.1238000      0.4860000
  1 1 1      -4    1    4 o    13.43000      0.2344000       13.77000 0.2792000       13.09000      0.3766000      0.6778000      0.4688000
  1 1 1      -4    1    5 o    5.040000      0.1236000       5.051000 0.1752000       5.029000      0.1742000      0.2145000E-01  0.2471000
  1 1 1      -4    1    6 f    7.771000      0.1723000       7.786000 0.2826000       7.756000      0.1971000      0.2960000E-01  0.3445000
  1 1 1      -4    1    7 o    20.48000      0.2845000       20.57000 0.4034000       20.39000      0.4012000      0.1807000      0.5689000
  1 1 1      -4    1    8 o    17.69000      0.3539000       17.69000 0.3539000                  ?              ?              ?              ?
  1 1 1      -4    1    9 f    8.975000      0.2250000       9.008000 0.3199000       8.942000      0.3165000      0.6562000E-01  0.4500000
  1 1 1      -4    1   10 o    8.442000      0.1596000       8.380000 0.2254000       8.503000      0.2260000     -0.1231000      0.3192000
  1 1 1      -4    1   11 o    6.223000      0.1608000       6.423000 0.2256000       6.023000      0.2291000      0.3994000      0.3215000
  1 1 1      -4    1   12 o    16.53000      0.3437000       15.93000 0.4696000       17.13000      0.5019000      -1.200000      0.6874000
  1 1 1      -4    1   13 o    14.83000      0.2252000       14.85000 0.3186000       14.82000      0.3184000      0.3191000E-01  0.4504000
  1 1 1      -4    1   14 o    4.856000      0.2003000       4.693000 0.2936000       5.019000      0.2725000     -0.3257000      0.4006000
  1 1 1      -4    1   15 o    3.836000      0.2371000       3.889000 0.3348000       3.783000      0.3359000      0.1066000      0.4743000
  1 1 1      -4    1   16 o    3.522000      0.2627000       3.540000 0.3787000       3.504000      0.3642000      0.3526000E-01  0.5254000
  1 1 1      -4    1   17 o    11.49000      0.2039000       11.51000 0.2868000       11.48000      0.2899000      0.2583000E-01  0.4078000
  1 1 1      -4    1   18 o    11.30000      0.2069000       11.37000 0.2938000       11.22000      0.2915000      0.1459000      0.4139000
  1 1 1      -4    1   19 o    6.762000      0.2088000       6.642000 0.3027000       6.881000      0.2878000     -0.2387000      0.4177000
  1 1 1      -4    1   20 o    4.188000      0.2942000       3.728000 0.4640000       4.648000      0.3617000     -0.9196000      0.5883000
  1 1 1      -4    1   21 o    3.731000      0.3365000       3.961000 0.4528000       3.501000      0.4978000      0.4593000      0.6729000
  1 1 1      -4    1   22 o    12.71000      0.2299000       13.29000 0.3336000       12.13000      0.3165000       1.154000      0.4599000
  1 1 1      -4    1   23 o    5.051000      0.2824000       5.508000 0.3785000       4.594000      0.4193000      0.9145000      0.5649000
  1 1 1      -4    1   24 o    9.986000      0.2227000       10.17000 0.3146000       9.800000      0.3154000      0.3719000      0.4455000
  1 1 1      -4    1   25 o    8.539000      0.3123000       8.429000 0.4527000       8.650000      0.4302000     -0.2213000      0.6245000
  1 1 1      -4    1   26 o    7.846000      0.3244000       8.034000 0.4728000       7.658000      0.4444000      0.3762000      0.6488000
  1 1 1      -4    1   27 o    2.144000      0.5207000       2.401000 0.7718000       1.888000      0.6993000      0.5130000       1.041000
  1 1 1      -4    1   28 o    5.609000      0.4678000       5.512000 0.6952000       5.705000      0.6263000     -0.1926000      0.9357000
  1 1 1      -4    1   29 o    6.465000      0.4428000       7.183000 0.5987000       5.747000      0.6527000       1.436000      0.8857000
  1 1 1      -4    1   30 o    5.503000      0.3344000       5.535000 0.4762000       5.472000      0.4695000      0.6327000E-01  0.6687000
  1 1 1      -4    1   31 o    7.139000      0.2925000       7.071000 0.4266000       7.208000      0.4002000     -0.1372000      0.5849000
  1 1 1      -4    1   32 o    5.727000      0.3465000       5.898000 0.5051000       5.555000      0.4745000      0.3428000      0.6930000
  1 1 1      -4    1   33 o    2.954000      0.5963000       2.846000 0.8891000       3.062000      0.7949000     -0.2168000       1.193000
  1 1 1      -4    1   34 o    7.764000      0.3023000       7.885000 0.4330000       7.643000      0.4219000      0.2426000      0.6045000
  1 1 1      -4    1   35 o    3.027000      0.6053000       2.977000 0.8926000       3.077000      0.8179000     -0.1002000       1.211000
  1 1 1      -4    1   36 o    2.171000      0.5795000       2.004000 0.8265000       2.339000      0.8124000     -0.3356000       1.159000
  1 1 1      -4    1   37 o    3.382000      0.5768000       3.831000 0.7976000       2.934000      0.8334000      0.8961000       1.154000
  1 1 1      -4    2    1 o    28.91000      0.3900000       29.12000 0.5554000       28.70000      0.5478000      0.4172000      0.7801000
  1 1 1      -4    2    2 o    13.65000      0.1954000       13.69000 0.2768000       13.61000      0.2759000      0.8043000E-01  0.3908000
  1 1 1      -4    2    3 o    15.21000      0.3059000       15.39000 0.4381000       15.03000      0.4269000      0.3580000      0.6117000
  1 1 1      -4    2    4 o    10.72000      0.1660000       10.61000 0.2330000       10.84000      0.2364000     -0.2342000      0.3319000
  1 1 1      -4    2    5 o    12.14000      0.1819000       11.91000 0.2522000       12.37000      0.2622000     -0.4570000      0.3638000
  1 1 1      -4    2    6 o    3.305000      0.1992000       3.437000 0.2136000       3.173000      0.3364000      0.2639000      0.3985000
  1 1 1      -4    2    7 o    20.46000      0.2868000       21.24000 0.4170000       19.68000      0.3939000       1.558000      0.5736000
  1 1 1      -4    2    8 o    20.34000      0.4013000       20.20000 0.5645000       20.48000      0.5705000     -0.2776000      0.8025000
  1 1 1      -4    2    9 o    13.75000      0.2065000       13.38000 0.2859000       14.13000      0.2980000     -0.7459000      0.4129000
  1 1 1      -4    2   10 o    24.62000      0.3405000       25.34000 0.4943000       23.90000      0.4683000       1.439000      0.6809000
  1 1 1      -4    2   11 o    34.49000      0.6629000       34.94000 0.9487000       34.03000      0.9262000      0.9128000       1.326000
  1 1 1      -4    2   12 o    14.35000      0.2196000       14.12000 0.3062000       14.58000      0.3148000     -0.4530000      0.4391000
  1 1 1      -4    2   13 o    13.68000      0.2136000       13.58000 0.3001000       13.78000      0.3042000     -0.2048000      0.4273000
  1 1 1      -4    2   14 o    11.67000      0.2431000       11.73000 0.2805000       11.61000      0.3972000      0.1187000      0.4863000
  1 1 1      -4    2   15 o    4.790000      0.2050000       4.704000 0.2966000       4.876000      0.2832000     -0.1720000      0.4100000
  1 1 1      -4    2   16 o    9.040000      0.1868000       8.771000 0.2609000       9.309000      0.2674000     -0.5385000      0.3736000
  1 1 1      -4    2   17 o    7.154000      0.1903000       7.070000 0.2697000       7.238000      0.2684000     -0.1681000      0.3805000
  1 1 1      -4    2   18 o    1.844000      0.4197000       1.713000 0.6128000       1.974000      0.5736000     -0.2609000      0.8393000
  1 1 1      -4    2   19 o    12.33000      0.2175000       12.07000 0.3039000       12.59000      0.3111000     -0.5242000      0.4349000
  1 1 1      -4    2   20 o    10.71000      0.2122000       10.38000 0.2979000       11.03000      0.3023000     -0.6491000      0.4244000
  1 1 1      -4    2   21 o    4.572000      0.2720000       4.469000 0.4042000       4.675000      0.3640000     -0.2061000      0.5439000
  1 1 1      -4    2   22 o    10.86000      0.2196000       11.09000 0.3140000       10.63000      0.3070000      0.4580000      0.4391000
  1 1 1      -4    2   23 o    14.29000      0.2453000       14.58000 0.3515000       13.99000      0.3422000      0.5850000      0.4906000
  1 1 1      -4    2   24 o    11.84000      0.3188000       11.86000 0.4609000       11.82000      0.4404000      0.4146000E-01  0.6375000
  1 1 1      -4    2   25 o    5.668000      0.3725000       6.057000 0.5296000       5.280000      0.5240000      0.7775000      0.7450000
  1 1 1      -4    2   26 o    5.467000      0.2916000       5.283000 0.4283000       5.652000      0.3960000     -0.3692000      0.5833000
  1 1 1      -4    2   27 o    9.311000      0.2361000       8.842000 0.3395000       9.779000      0.3283000     -0.9371000      0.4722000
  1 1 1      -4    2   28 o    6.168000      0.4348000       5.577000 0.6652000       6.759000      0.5601000      -1.183000      0.8696000
  1 1 1      -4    2   29 o    8.546000      0.2500000       8.512000 0.3561000       8.580000      0.3511000     -0.6880000E-01  0.5001000
  1 1 1      -4    2   30 o    2.336000      0.5571000       2.059000 0.7846000       2.612000      0.7910000     -0.5527000       1.114000
  1 1 1      -4    2   31 o    4.482000      0.4067000       4.638000 0.5665000       4.327000      0.5838000      0.3109000      0.8135000
  1 1 1      -4    2   32 o    7.370000      0.2979000       7.516000 0.4173000       7.224000      0.4253000      0.2920000      0.5958000
  1 1 1      -4    2   33 o    1.854000      0.5522000       1.653000 0.7466000       2.054000      0.8137000     -0.4013000       1.104000
  1 1 1      -4    2   34 o    6.110000      0.3476000       6.309000 0.4864000       5.912000      0.4966000      0.3969000      0.6952000
  1 1 1      -4    2   35 o    3.025000      0.5536000       2.288000 0.8598000       3.763000      0.6975000      -1.475000       1.107000
  1 1 1      -4    2   36 o    1.899000      0.5624000       1.858000 0.8012000       1.939000      0.7895000     -0.8017000E-01   1.125000
  1 1 1      -4    2   37 o    1.957000      0.5672000       2.292000 0.8726000       1.623000      0.7250000      0.6687000       1.134000
  1 1 1      -4    3    1 o    8.929000      0.1411000       8.863000 0.1988000       8.994000      0.2003000     -0.1313000      0.2822000
  1 1 1      -4    3    2 o    24.80000      0.3372000       24.74000 0.4759000       24.87000      0.4779000     -0.1280000      0.6745000
  1 1 1      -4    3    3 o    23.42000      0.3203000       23.19000 0.4491000       23.65000      0.4570000     -0.4658000      0.6407000
  1 1 1      -4    3    4 o    7.838000      0.1975000       7.684000 0.2758000       7.991000      0.2829000     -0.3072000      0.3951000
  1 1 1      -4    3    5 o    29.06000      0.3952000       28.83000 0.5549000       29.29000      0.5628000     -0.4660000      0.7904000
  1 1 1      -4    3    6 o    3.246000      0.2619000       3.302000 0.3526000       3.189000      0.3874000      0.1133000      0.5238000
  1 1 1      -4    3    7 o    4.394000      0.2341000       3.926000 0.3292000       4.863000      0.3329000     -0.9373000      0.4682000
  1 1 1      -4    3    8 o    18.22000      0.3194000       18.63000 0.5266000       17.80000      0.3614000      0.8261000      0.6387000
  1 1 1      -4    3    9 o    13.11000      0.2016000       13.11000 0.2828000       13.11000      0.2874000     -0.1907000E-05  0.4032000
  1 1 1      -4    3   10 o    22.95000      0.4527000       23.11000 0.6439000       22.79000      0.6364000      0.3157000      0.9053000
  1 1 1      -4    3   11 o    25.80000      0.4382000       25.62000 0.5011000       25.97000      0.7191000     -0.3477000      0.8764000
  1 1 1      -4    3   12 o    20.06000      0.2871000       20.38000 0.4100000       19.73000      0.4019000      0.6513000      0.5742000
  1 1 1      -4    3   13 o    9.439000      0.1833000       9.599000 0.2548000       9.279000      0.2636000      0.3203000      0.3666000
  1 1 1      -4    3   14 o    8.715000      0.1785000       8.703000 0.2504000       8.727000      0.2546000     -0.2395000E-01  0.3571000
  1 1 1      -4    3   15 o    12.70000      0.2090000       12.51000 0.2919000       12.89000      0.2993000     -0.3854000      0.4180000
  1 1 1      -4    3   16 o    12.79000      0.2127000       13.08000 0.3033000       12.50000      0.2984000      0.5815000      0.4255000
  1 1 1      -4    3   17 o    7.488000      0.1876000       7.510000 0.2595000       7.466000      0.2709000      0.4351000E-01  0.3752000
  1 1 1      -4    3   18 o    4.320000      0.3480000       4.320000 0.3480000                  ?              ?              ?              ?
  1 1 1      -4    3   19 o    5.998000      0.2152000       5.930000 0.3026000       6.066000      0.3059000     -0.1360000      0.4303000
  1 1 1      -4    3   20 o    7.501000      0.2940000                  ?       ?   7.501000      0.2940000                  ?              ?
  1 1 1      -4    3   21 o    12.78000      0.2252000       12.81000 0.3206000       12.76000      0.3164000      0.5659000E-01  0.4504000
  1 1 1      -4    3   22 o    5.387000      0.2553000       5.200000 0.3660000       5.574000      0.3561000     -0.3737000      0.5106000
  1 1 1      -4    3   23 o    4.368000      0.3023000       4.357000 0.4331000       4.378000      0.4219000     -0.2142000E-01  0.6047000
  1 1 1      -4    3   24 f    9.920000      0.3091000       9.467000 0.4425000       10.37000      0.4317000     -0.9067000      0.6182000
  1 1 1      -4    3   25 o    7.727000      0.2344000       8.024000 0.3326000       7.429000      0.3305000      0.5950000      0.4688000
  1 1 1      -4    3   26 o    11.57000      0.2342000       11.45000 0.3322000       11.68000      0.3302000     -0.2366000      0.4684000
  1 1 1      -4    3   27 o    13.18000      0.3539000       13.15000 0.4944000       13.21000      0.5066000     -0.6023000E-01  0.7078000
  1 1 1      -4    3   28 o    7.843000      0.2519000       7.979000 0.3556000       7.707000      0.3568000      0.2718000      0.5038000
  1 1 1      -4    3   29 o    6.357000      0.2893000       6.625000 0.3977000       6.088000      0.4201000      0.5373000      0.5785000
  1 1 1      -4    3   30 o    3.024000      0.5056000       2.406000 0.8114000       3.642000      0.6035000      -1.237000       1.011000
  1 1 1      -4    3   31 o    5.796000      0.3235000       5.708000 0.4596000       5.883000      0.4555000     -0.1755000      0.6471000
  1 1 1      -4    3   32 o    2.312000      0.5779000       2.593000 0.8297000       2.031000      0.8048000      0.5619000       1.156000
  1 1 1      -4    3   33 o    1.957000      0.5536000       2.316000 0.8351000       1.599000      0.7270000      0.7171000       1.107000
  1 1 1      -4    3   34 o    3.927000      0.5107000       2.885000 0.8623000       4.970000      0.5475000      -2.085000       1.021000
  1 1 1      -4    3   35 o    3.058000      0.5710000       3.617000 0.7784000       2.499000      0.8358000       1.118000       1.142000
  1 1 1      -4    3   36 o    1.708000      0.5197000       1.453000 0.6777000       1.962000      0.7880000     -0.5090000       1.039000
  1 1 1      -4    3   37 o    2.522000      0.5838000       3.077000 0.8478000       1.968000      0.8028000       1.109000       1.168000
  1 1 1      -4    4    1 o    34.06000      0.4581000       34.30000 0.6523000       33.82000      0.6435000      0.4732000      0.9162000
  1 1 1      -4    4    2 o    20.28000      0.2795000       20.37000 0.3967000       20.19000      0.3939000      0.1784000      0.5591000
  1 1 1      -4    4    3 o    25.84000      0.3518000       25.76000 0.4960000       25.92000      0.4989000     -0.1680000      0.7035000
  1 1 1      -4    4    4 o    14.73000      0.2132000       14.98000 0.3062000       14.48000      0.2969000      0.5009000      0.4265000
  1 1 1      -4    4    5 o    28.17000      0.5424000       28.17000 0.7660000       28.17000      0.7682000     -0.5266000E-02   1.085000
  1 1 1      -4    4    6 o    8.218000      0.2168000       7.779000 0.2920000       8.658000      0.3206000     -0.8787000      0.4337000
  1 1 1      -4    4    7 o    13.44000      0.2038000       13.42000 0.2880000       13.46000      0.2884000     -0.3836000E-01  0.4076000
  1 1 1      -4    4    8 o    9.420000      0.2089000       9.629000 0.3480000       9.210000      0.2312000      0.4186000      0.4178000
  1 1 1      -4    4    9 o    4.516000      0.2723000       4.508000 0.3923000       4.523000      0.3778000     -0.1452000E-01  0.5446000
  1 1 1      -4    4   10 o    18.47000      0.2666000       18.59000 0.3792000       18.36000      0.3749000      0.2295000      0.5332000
  1 1 1      -4    4   11 o    23.97000      0.3349000       23.43000 0.4630000       24.50000      0.4840000      -1.078000      0.6698000
  1 1 1      -4    4   12 o    7.209000      0.2133000       7.555000 0.2429000       6.863000      0.3507000      0.6919000      0.4266000
  1 1 1      -4    4   13 o    10.44000      0.1903000       10.30000 0.2612000       10.57000      0.2769000     -0.2712000      0.3807000
  1 1 1      -4    4   14 o    9.504000      0.1878000       9.604000 0.2597000       9.404000      0.2713000      0.2001000      0.3756000
  1 1 1      -4    4   15 o    10.24000      0.1952000       10.28000 0.2689000       10.20000      0.2832000      0.7638000E-01  0.3905000
  1 1 1      -4    4   16 o    4.785000      0.2345000       4.253000 0.3400000       5.316000      0.3232000      -1.063000      0.4691000
  1 1 1      -4    4   17 o    5.953000      0.2125000       5.947000 0.2841000       5.959000      0.3161000     -0.1262000E-01  0.4250000
  1 1 1      -4    4   18 o    5.880000      0.2930000       5.880000 0.2930000                  ?              ?              ?              ?
  1 1 1      -4    4   19 o    7.946000      0.2140000       8.027000 0.2853000       7.866000      0.3190000      0.1610000      0.4280000
  1 1 1      -4    4   20 o    7.092000      0.3259000                  ?       ?   7.092000      0.3259000                  ?              ?
  1 1 1      -4    4   21 o    2.168000      0.4504000       2.760000 0.6114000       1.576000      0.6615000       1.184000      0.9008000
  1 1 1      -4    4   22 o    9.720000      0.2244000       9.235000 0.3108000       10.20000      0.3237000     -0.9693000      0.4488000
  1 1 1      -4    4   23 o    4.935000      0.4197000       4.211000 0.6193000       5.660000      0.5666000      -1.450000      0.8394000
  1 1 1      -4    4   24 o    3.132000      0.4615000       2.955000 0.6300000       3.309000      0.6745000     -0.3541000      0.9229000
  1 1 1      -4    4   25 o    16.22000      0.2733000       16.26000 0.3776000       16.18000      0.3953000      0.8278000E-01  0.5466000
  1 1 1      -4    4   26 o    9.634000      0.3301000       9.742000 0.4699000       9.526000      0.4637000      0.2161000      0.6602000
  1 1 1      -4    4   27 o    4.944000      0.4936000       5.348000 0.6184000       4.541000      0.7694000      0.8071000      0.9871000
  1 1 1      -4    4   28 o    6.032000      0.3739000       6.791000 0.3930000       5.272000      0.6362000       1.519000      0.7478000
  1 1 1      -4    4   29 o    5.684000      0.4091000       5.803000 0.4302000       5.565000      0.6959000      0.2384000      0.8181000
  1 1 1      -4    4   30 o    8.022000      0.3571000       8.196000 0.3713000       7.848000      0.6100000      0.3473000      0.7141000
  1 1 1      -4    4   31 o    2.773000      0.6506000       2.555000 0.7967000       2.990000       1.029000     -0.4350000       1.301000
  1 1 1      -4    4   32 o    6.214000      0.4670000       6.442000 0.4661000       5.986000      0.8093000      0.4557000      0.9339000
  1 1 1      -4    4   33 o    1.926000      0.6118000       1.674000 0.7383000       2.177000      0.9757000     -0.5023000       1.224000
  1 1 1      -4    4   34 o    2.223000      0.6211000       1.868000 0.8083000       2.578000      0.9433000     -0.7094000       1.242000
  1 1 1      -4    4   35 o    1.902000      0.5691000       1.769000 0.7655000       2.035000      0.8424000     -0.2657000       1.138000
  1 1 1      -4    4   36 o    2.216000      0.5877000       2.003000 0.8153000       2.430000      0.8467000     -0.4272000       1.175000
  1 1 1      -4    4   37 o    1.740000      0.5392000       1.879000 0.7953000       1.602000      0.7284000      0.2774000       1.078000
  1 1 1      -4    5    1 o    9.743000      0.1521000       9.587000 0.2141000       9.899000      0.2161000     -0.3117000      0.3042000
  1 1 1      -4    5    2 o    9.216000      0.2113000       9.268000 0.2974000       9.164000      0.3001000      0.1043000      0.4225000
  1 1 1      -4    5    3 o    5.326000      0.1935000       5.738000 0.2672000       4.914000      0.2800000      0.8239000      0.3870000
  1 1 1      -4    5    4 o    14.67000      0.2998000       14.84000 0.4271000       14.51000      0.4210000      0.3304000      0.5997000
  1 1 1      -4    5    5 o    7.064000      0.1483000       7.075000 0.2096000       7.053000      0.2100000      0.2221000E-01  0.2967000
  1 1 1      -4    5    6 o    37.20000      0.5021000       37.17000 0.7096000       37.23000      0.7106000     -0.6141000E-01   1.004000
  1 1 1      -4    5    7 o    25.73000      0.5015000       25.51000 0.7048000       25.94000      0.7136000     -0.4312000       1.003000
  1 1 1      -4    5    8 o    27.76000      0.5396000       27.23000 0.7506000       28.29000      0.7755000      -1.064000       1.079000
  1 1 1      -4    5    9 o    8.239000      0.1705000       8.248000 0.2389000       8.229000      0.2432000      0.1931000E-01  0.3409000
  1 1 1      -4    5   10 o    19.70000      0.2822000       19.84000 0.4019000       19.56000      0.3963000      0.2796000      0.5644000
  1 1 1      -4    5   11 o    11.36000      0.1955000       11.46000 0.2782000       11.26000      0.2746000      0.2014000      0.3909000
  1 1 1      -4    5   12 o    11.44000      0.2470000       11.10000 0.4037000       11.77000      0.2847000     -0.6697000      0.4940000
  1 1 1      -4    5   13 o    9.997000      0.1923000       9.884000 0.2705000       10.11000      0.2734000     -0.2248000      0.3846000
  1 1 1      -4    5   14 o    6.800000      0.1858000       6.829000 0.2530000       6.771000      0.2723000      0.5786000E-01  0.3717000
  1 1 1      -4    5   15 o    9.662000      0.1919000       9.209000 0.2638000       10.12000      0.2788000     -0.9078000      0.3838000
  1 1 1      -4    5   16 o    5.287000      0.2261000       5.617000 0.2905000       4.956000      0.3466000      0.6613000      0.4522000
  1 1 1      -4    5   17 o    6.082000      0.2167000       6.270000 0.2736000       5.893000      0.3360000      0.3772000      0.4333000
  1 1 1      -4    5   18 o    6.234000      0.2272000       6.504000 0.2846000       5.963000      0.3543000      0.5408000      0.4544000
  1 1 1      -4    5   19 o    5.694000      0.2412000       5.751000 0.3182000       5.637000      0.3626000      0.1141000      0.4824000
  1 1 1      -4    5   20 o    3.745000      0.3552000       3.904000 0.4562000       3.587000      0.5445000      0.3171000      0.7104000
  1 1 1      -4    5   21 o    7.363000      0.2337000       7.149000 0.3251000       7.578000      0.3359000     -0.4293000      0.4674000
  1 1 1      -4    5   22 o    2.305000      0.5893000       1.982000 0.7682000       2.628000      0.8938000     -0.6453000       1.179000
  1 1 1      -4    5   23 o    5.596000      0.4049000       5.482000 0.5127000       5.709000      0.6268000     -0.2269000      0.8098000
  1 1 1      -4    5   24 o    11.44000      0.2376000       10.80000 0.3266000       12.07000      0.3452000      -1.269000      0.4752000
  1 1 1      -4    5   25 o    17.39000      0.3988000       17.84000 0.5690000       16.93000      0.5588000      0.9083000      0.7975000
  1 1 1      -4    5   26 o    2.705000      0.6280000       2.243000 0.8785000       3.167000      0.8977000     -0.9243000       1.256000
  1 1 1      -4    5   27 o    10.32000      0.2483000       10.10000 0.3365000       10.53000      0.3653000     -0.4237000      0.4966000
  1 1 1      -4    5   28 o    2.780000      0.5619000       2.603000 0.7371000       2.958000      0.8483000     -0.3544000       1.124000
  1 1 1      -4    5   29 o    3.878000      0.4649000       3.707000 0.6317000       4.049000      0.6823000     -0.3424000      0.9299000
  1 1 1      -4    5   30 o    10.83000      0.2702000       10.65000 0.3573000       11.02000      0.4053000     -0.3743000      0.5403000
  1 1 1      -4    5   31 o    4.972000      0.4116000       4.972000 0.5182000       4.973000      0.6398000     -0.3514000E-03  0.8233000
  1 1 1      -4    5   32 o    8.640000      0.3066000       8.685000 0.3917000       8.596000      0.4716000      0.8941000E-01  0.6131000
  1 1 1      -4    5   33 o    2.338000      0.6147000       2.009000 0.8029000       2.667000      0.9310000     -0.6586000       1.229000
  1 1 1      -4    5   34 o    2.538000      0.5966000       3.020000 0.8196000       2.055000      0.8671000      0.9644000       1.193000
  1 1 1      -4    5   35 o    2.615000      0.5841000       1.869000 0.7845000       3.362000      0.8656000      -1.493000       1.168000
  1 1 1      -4    5   36 o    2.211000      0.5733000       2.637000 0.8487000       1.785000      0.7710000      0.8517000       1.147000
  1 1 1      -4    5   37 o    2.992000      0.5724000       3.625000 0.7594000       2.358000      0.8567000       1.267000       1.145000
  1 1 1      -4    6    1 o    12.63000      0.2584000       12.73000 0.3683000       12.52000      0.3626000      0.2097000      0.5168000
  1 1 1      -4    6    2 o    13.30000      0.2378000       13.89000 0.3974000       12.72000      0.2613000       1.173000      0.4757000
  1 1 1      -4    6    3 o    6.436000      0.1386000       6.506000 0.1992000       6.366000      0.1927000      0.1401000      0.2772000
  1 1 1      -4    6    4 o    24.46000      0.3351000       24.40000 0.4732000       24.52000      0.4746000     -0.1220000      0.6702000
  1 1 1      -4    6    5 f    41.54000      0.7914000       41.23000 1.111000       41.85000       1.127000     -0.6255000       1.583000
  1 1 1      -4    6    6 f    17.95000      0.3634000       18.53000 0.5289000       17.38000      0.4985000       1.149000      0.7268000
  1 1 1      -4    6    7 o    13.17000      0.2032000       13.02000 0.2852000       13.32000      0.2894000     -0.3034000      0.4063000
  1 1 1      -4    6    8 o    19.71000      0.2798000       19.89000 0.3988000       19.52000      0.3927000      0.3606000      0.5597000
  1 1 1      -4    6    9 o    37.03000      0.5018000       36.84000 0.7064000       37.21000      0.7130000     -0.3759000       1.004000
  1 1 1      -4    6   10 o    8.858000      0.2111000       8.509000 0.3401000       9.207000      0.2502000     -0.6982000      0.4222000
  1 1 1      -4    6   11 o    9.516000      0.1822000       9.322000 0.2577000       9.710000      0.2575000     -0.3876000      0.3643000
  1 1 1      -4    6   12 o    13.73000      0.3051000       14.05000 0.4340000       13.41000      0.4291000      0.6445000      0.6103000
  1 1 1      -4    6   13 o    7.946000      0.1872000       8.145000 0.2620000       7.748000      0.2674000      0.3969000      0.3744000
  1 1 1      -4    6   14 o    6.415000      0.1973000       6.454000 0.2743000       6.376000      0.2835000      0.7888000E-01  0.3945000
  1 1 1      -4    6   15 o    8.474000      0.1965000       8.601000 0.2804000       8.347000      0.2753000      0.2548000      0.3930000
  1 1 1      -4    6   16 o    4.104000      0.2558000       4.103000 0.3189000       4.106000      0.4001000     -0.2892000E-02  0.5116000
  1 1 1      -4    6   17 o    3.373000      0.3181000       3.189000 0.4406000       3.557000      0.4591000     -0.3679000      0.6363000
  1 1 1      -4    6   18 f    3.645000      0.3773000       3.725000 0.4035000       3.566000      0.6376000      0.1594000      0.7545000
  1 1 1      -4    6   19 o    1.576000      0.4522000       1.650000 0.6422000       1.502000      0.6369000      0.1480000      0.9044000
  1 1 1      -4    6   20 o    5.454000      0.2612000       4.741000 0.3862000       6.166000      0.3518000      -1.425000      0.5224000
  1 1 1      -4    6   21 o    8.081000      0.3201000       7.649000 0.4552000       8.513000      0.4500000     -0.8640000      0.6401000
  1 1 1      -4    6   22 o    15.06000      0.2527000       14.81000 0.3487000       15.32000      0.3659000     -0.5158000      0.5054000
  1 1 1      -4    6   23 o    10.65000      0.2288000       10.30000 0.3135000       10.99000      0.3334000     -0.6839000      0.4576000
  1 1 1      -4    6   24 o    13.99000      0.3544000       13.91000 0.4983000       14.06000      0.5039000     -0.1535000      0.7087000
  1 1 1      -4    6   25 f    6.068000      0.4064000       6.243000 0.5602000       5.893000      0.5890000      0.3505000      0.8128000
  1 1 1      -4    6   26 o    8.670000      0.2538000       8.636000 0.3419000       8.705000      0.3752000     -0.6907000E-01  0.5076000
  1 1 1      -4    6   27 o    5.311000      0.3208000       5.333000 0.4191000       5.290000      0.4858000      0.4383000E-01  0.6416000
  1 1 1      -4    6   28 o    4.634000      0.4014000       4.982000 0.4655000       4.285000      0.6541000      0.6962000      0.8029000
  1 1 1      -4    6   29 o    2.762000      0.5776000       2.830000 0.7549000       2.694000      0.8745000      0.1362000       1.155000
  1 1 1      -4    6   30 o    5.128000      0.3824000       5.124000 0.5243000       5.132000      0.5569000     -0.8558000E-02  0.7648000
  1 1 1      -4    6   31 o    3.076000      0.5948000       2.521000 0.8319000       3.630000      0.8503000      -1.109000       1.190000
  1 1 1      -4    6   32 o    6.717000      0.3511000       6.841000 0.4632000       6.594000      0.5277000      0.2470000      0.7021000
  1 1 1      -4    6   33 o    5.469000      0.4214000       5.520000 0.5474000       5.418000      0.6408000      0.1020000      0.8428000
  1 1 1      -4    6   34 o    2.604000      0.6196000       2.193000 0.8602000       3.015000      0.8919000     -0.8213000       1.239000
  1 1 1      -4    6   35 f    1.760000      0.5465000       1.508000 0.7021000       2.013000      0.8376000     -0.5049000       1.093000
  1 1 1      -4    6   36 f    1.653000      0.5249000       1.370000 0.6626000       1.936000      0.8144000     -0.5656000       1.050000
  1 1 1      -4    6   37 o    2.110000      0.5818000       2.363000 0.8566000       1.857000      0.7874000      0.5053000       1.164000
  1 1 1      -4    7    1 o    6.926000      0.1331000       6.816000 0.1866000       7.036000      0.1899000     -0.2203000      0.2663000
  1 1 1      -4    7    2 f    21.08000      0.2895000       20.48000 0.3987000       21.67000      0.4198000      -1.191000      0.5790000
  1 1 1      -4    7    3 o    11.96000      0.2572000       12.24000 0.3715000       11.67000      0.3557000      0.5682000      0.5143000
  1 1 1      -4    7    4 o    13.15000      0.2809000       13.28000 0.4034000       13.03000      0.3911000      0.2505000      0.5618000
  1 1 1      -4    7    5 o    26.82000      0.3666000       26.75000 0.5177000       26.89000      0.5191000     -0.1366000      0.7332000
  1 1 1      -4    7    6 o    5.458000      0.1609000       5.522000 0.2275000       5.394000      0.2276000      0.1282000      0.3218000
  1 1 1      -4    7    7 o    17.45000      0.2516000       17.28000 0.3531000       17.63000      0.3586000     -0.3506000      0.5033000
  1 1 1      -4    7    8 o    10.94000      0.1845000       11.11000 0.2620000       10.76000      0.2597000      0.3509000      0.3689000
  1 1 1      -4    7    9 o    12.82000      0.2035000       12.83000 0.2883000       12.80000      0.2872000      0.3543000E-01  0.4069000
  1 1 1      -4    7   10 o    10.03000      0.1835000       9.938000 0.2583000       10.12000      0.2608000     -0.1808000      0.3671000
  1 1 1      -4    7   11 o    13.00000      0.2099000       13.02000 0.2980000       12.98000      0.2957000      0.4064000E-01  0.4198000
  1 1 1      -4    7   12 f    11.38000      0.1973000       11.37000 0.2810000       11.39000      0.2769000     -0.2093000E-01  0.3945000
  1 1 1      -4    7   13 o    9.500000      0.1910000       9.308000 0.2676000       9.692000      0.2726000     -0.3841000      0.3820000
  1 1 1      -4    7   14 o    2.981000      0.3386000       2.996000 0.4887000       2.967000      0.4687000      0.2957000E-01  0.6771000
  1 1 1      -4    7   15 o    9.201000      0.1980000       9.130000 0.2793000       9.271000      0.2808000     -0.1409000      0.3960000
  1 1 1      -4    7   16 o    3.889000      0.2903000       3.973000 0.3893000       3.804000      0.4309000      0.1700000      0.5807000
  1 1 1      -4    7   17 o    3.809000      0.3120000       3.639000 0.4664000       3.978000      0.4144000     -0.3396000      0.6239000
  1 1 1      -4    7   18 o    9.312000      0.2172000       9.058000 0.3085000       9.565000      0.3059000     -0.5071000      0.4344000
  1 1 1      -4    7   19 o    5.710000      0.3168000       5.710000 0.3168000                  ?              ?              ?              ?
  1 1 1      -4    7   20 o    4.658000      0.4081000       4.826000 0.4987000       4.491000      0.6461000      0.3355000      0.8162000
  1 1 1      -4    7   21 o    1.624000      0.4984000       1.943000 0.7903000       1.305000      0.6076000      0.6379000      0.9969000
  1 1 1      -4    7   22 o    15.35000      0.2571000       15.55000 0.3606000       15.16000      0.3667000      0.3908000      0.5142000
  1 1 1      -4    7   23 o    2.424000      0.5995000       2.823000 0.8655000       2.025000      0.8297000      0.7985000       1.199000
  1 1 1      -4    7   24 o    4.283000      0.5220000       4.788000 0.6593000       3.778000      0.8095000       1.011000       1.044000
  1 1 1      -4    7   25 o    14.66000      0.2596000       14.54000 0.3586000       14.78000      0.3755000     -0.2330000      0.5192000
  1 1 1      -4    7   26 o    4.208000      0.3955000       4.540000 0.4751000       3.877000      0.6323000      0.6631000      0.7909000
  1 1 1      -4    7   27 o    3.053000      0.5175000       2.696000 0.7341000       3.410000      0.7296000     -0.7146000       1.035000
  1 1 1      -4    7   28 o    2.212000      0.5510000       2.489000 0.7734000       1.935000      0.7852000      0.5542000       1.102000
  1 1 1      -4    7   29 o    3.660000      0.4971000       3.671000 0.6124000       3.650000      0.7832000      0.2088000E-01  0.9942000
  1 1 1      -4    7   30 o    4.762000      0.4141000       4.612000 0.5542000       4.913000      0.6153000     -0.3002000      0.8281000
  1 1 1      -4    7   31 o    4.120000      0.4948000       4.078000 0.6581000       4.162000      0.7390000     -0.8481000E-01  0.9896000
  1 1 1      -4    7   32 o    2.398000      0.5891000       1.739000 0.7435000       3.057000      0.9141000      -1.317000       1.178000
  1 1 1      -4    7   33 o    5.060000      0.4137000       5.260000 0.4896000       4.859000      0.6669000      0.4009000      0.8274000
  1 1 1      -4    7   34 o    7.056000      0.3341000       7.674000 0.4268000       6.438000      0.5140000       1.236000      0.6681000
  1 1 1      -4    7   35 o    2.365000      0.6121000       2.353000 0.8535000       2.378000      0.8775000     -0.2484000E-01   1.224000
  1 1 1      -4    7   36 f    3.193000      0.5872000       2.611000 0.8614000       3.774000      0.7981000      -1.162000       1.174000
  1 1 1      -4    8    1 o    9.719000      0.2203000       9.649000 0.3115000       9.788000      0.3115000     -0.1394000      0.4405000
  1 1 1      -4    8    2 o    16.29000      0.2308000       16.15000 0.3247000       16.43000      0.3279000     -0.2832000      0.4615000
  1 1 1      -4    8    3 o    29.72000      0.4028000       30.17000 0.5780000       29.27000      0.5612000      0.8974000      0.8056000
  1 1 1      -4    8    4 o    10.80000      0.1722000       10.89000 0.2454000       10.71000      0.2415000      0.1830000      0.3443000
  1 1 1      -4    8    5 o    11.48000      0.1817000       11.45000 0.2571000       11.50000      0.2568000     -0.4695000E-01  0.3634000
  1 1 1      -4    8    6 o    20.82000      0.2914000       20.86000 0.4131000       20.78000      0.4113000      0.7922000E-01  0.5829000
  1 1 1      -4    8    7 o    17.57000      0.2531000       17.53000 0.3573000       17.61000      0.3587000     -0.7818000E-01  0.5063000
  1 1 1      -4    8    8 o    14.50000      0.2196000       14.42000 0.3094000       14.59000      0.3117000     -0.1772000      0.4392000
  1 1 1      -4    8    9 o    18.85000      0.2708000       18.85000 0.3829000       18.85000      0.3829000      0.2995000E-02  0.5415000
  1 1 1      -4    8   10 o    13.90000      0.2173000       13.83000 0.3066000       13.97000      0.3080000     -0.1391000      0.4346000
  1 1 1      -4    8   11 o    11.07000      0.1938000       11.00000 0.2740000       11.13000      0.2742000     -0.1283000      0.3876000
  1 1 1      -4    8   12 o    11.42000      0.1989000       11.21000 0.2801000       11.62000      0.2825000     -0.4134000      0.3978000
  1 1 1      -4    8   13 o    5.774000      0.1991000       5.748000 0.2853000       5.800000      0.2778000     -0.5239000E-01  0.3982000
  1 1 1      -4    8   14 o    5.918000      0.2069000       6.150000 0.2867000       5.685000      0.2983000      0.4647000      0.4137000
  1 1 1      -4    8   15 o    11.67000      0.2111000       11.72000 0.3016000       11.63000      0.2954000      0.8305000E-01  0.4222000
  1 1 1      -4    8   16 o    4.801000      0.2591000       5.027000 0.3525000       4.575000      0.3798000      0.4528000      0.5181000
  1 1 1      -4    8   17 o    8.726000      0.2107000       8.951000 0.2955000       8.501000      0.3004000      0.4498000      0.4214000
  1 1 1      -4    8   18 o    5.040000      0.3758000       4.690000 0.5051000       5.391000      0.5565000     -0.7009000      0.7516000
  1 1 1      -4    8   19 o    4.515000      0.5434000       4.515000 0.5434000                  ?              ?              ?              ?
  1 1 1      -4    8   20 o    1.955000      0.4839000       1.563000 0.6615000       2.347000      0.7063000     -0.7844000      0.9677000
  1 1 1      -4    8   21 o    7.322000      0.3528000                  ?       ?   7.322000      0.3528000                  ?              ?
  1 1 1      -4    8   22 o    4.202000      0.5168000       4.505000 0.6800000       3.900000      0.7785000      0.6051000       1.034000
  1 1 1      -4    8   23 o    13.02000      0.2428000       13.08000 0.3383000       12.95000      0.3483000      0.1277000      0.4856000
  1 1 1      -4    8   24 o    8.660000      0.2360000       8.390000 0.3227000       8.930000      0.3444000     -0.5400000      0.4720000
  1 1 1      -4    8   25 o    10.22000      0.2421000       10.19000 0.3295000       10.25000      0.3548000     -0.5829000E-01  0.4842000
  1 1 1      -4    8   26 o    11.26000      0.2463000       11.19000 0.3373000       11.32000      0.3591000     -0.1319000      0.4927000
  1 1 1      -4    8   27 f    1.671000      0.5040000       1.380000 0.6344000       1.962000      0.7834000     -0.5818000       1.008000
  1 1 1      -4    8   28 o    6.277000      0.3134000       6.413000 0.4156000       6.140000      0.4693000      0.2728000      0.6268000
  1 1 1      -4    8   29 o    4.593000      0.4074000       4.346000 0.5425000       4.841000      0.6080000     -0.4948000      0.8149000
  1 1 1      -4    8   30 o    4.857000      0.3982000       4.722000 0.5156000       4.991000      0.6070000     -0.2693000      0.7964000
  1 1 1      -4    8   31 o    2.082000      0.5582000       1.365000 0.6460000       2.799000      0.9106000      -1.434000       1.116000
  1 1 1      -4    8   32 o    5.949000      0.3929000       6.191000 0.4650000       5.708000      0.6334000      0.4826000      0.7857000
  1 1 1      -4    8   33 o    5.431000      0.3814000       5.375000 0.5078000       5.486000      0.5693000     -0.1117000      0.7628000
  1 1 1      -4    8   34 o    3.402000      0.5907000       3.265000 0.8432000       3.540000      0.8275000     -0.2746000       1.181000
  1 1 1      -4    8   35 o    2.892000      0.5968000       3.035000 0.8070000       2.749000      0.8794000      0.2868000       1.194000
  1 1 1      -4    8   36 o    2.921000      0.7218000       2.873000 1.009000       2.968000       1.032000     -0.9487000E-01   1.444000
  1 1 1      -4    9    1 o    13.86000      0.2061000       14.05000 0.2973000       13.67000      0.2854000      0.3799000      0.4121000
  1 1 1      -4    9    2 o    11.23000      0.1745000       10.99000 0.2441000       11.47000      0.2493000     -0.4884000      0.3489000
  1 1 1      -4    9    3 o    12.93000      0.1935000       12.61000 0.2695000       13.25000      0.2776000     -0.6338000      0.3869000
  1 1 1      -4    9    4 o    18.28000      0.2574000       18.36000 0.3659000       18.19000      0.3620000      0.1674000      0.5147000
  1 1 1      -4    9    5 o    10.10000      0.1687000       10.04000 0.2380000       10.16000      0.2391000     -0.1230000      0.3374000
  1 1 1      -4    9    6 o    4.277000      0.1894000       4.431000 0.2637000       4.124000      0.2720000      0.3066000      0.3789000
  1 1 1      -4    9    7 o    10.77000      0.1810000       10.90000 0.2582000       10.64000      0.2537000      0.2568000      0.3620000
  1 1 1      -4    9    8 o    6.749000      0.1708000       6.956000 0.2408000       6.541000      0.2423000      0.4150000      0.3416000
  1 1 1      -4    9    9 o    18.64000      0.2684000       18.57000 0.3782000       18.72000      0.3809000     -0.1540000      0.5368000
  1 1 1      -4    9   10 f    8.617000      0.1792000       8.623000 0.2488000       8.610000      0.2579000      0.1268000E-01  0.3583000
  1 1 1      -4    9   11 o    6.475000      0.1837000       6.278000 0.2664000       6.673000      0.2529000     -0.3950000      0.3674000
  1 1 1      -4    9   12 o    8.849000      0.1858000       9.037000 0.2652000       8.662000      0.2604000      0.3752000      0.3717000
  1 1 1      -4    9   13 o    9.962000      0.1946000       9.950000 0.2772000       9.973000      0.2732000     -0.2303000E-01  0.3892000
  1 1 1      -4    9   14 o    5.708000      0.2186000       5.402000 0.3243000       6.013000      0.2933000     -0.6118000      0.4373000
  1 1 1      -4    9   15 o    7.298000      0.2052000       7.157000 0.2962000       7.439000      0.2842000     -0.2820000      0.4105000
  1 1 1      -4    9   16 o    4.016000      0.2917000       4.234000 0.3940000       3.798000      0.4303000      0.4361000      0.5834000
  1 1 1      -4    9   17 o    3.312000      0.4716000       3.424000 0.6034000       3.200000      0.7250000      0.2238000      0.9432000
  1 1 1      -4    9   18 o    3.286000      0.4850000       3.473000 0.6007000       3.099000      0.7616000      0.3738000      0.9700000
  1 1 1      -4    9   19 o    5.368000      0.2557000       5.809000 0.3708000       4.927000      0.3523000      0.8820000      0.5115000
  1 1 1      -4    9   20 o    5.309000      0.3853000       5.390000 0.6670000       5.228000      0.3859000      0.1625000      0.7706000
  1 1 1      -4    9   22 o    6.084000      0.2750000       6.174000 0.3945000       5.994000      0.3834000      0.1805000      0.5501000
  1 1 1      -4    9   23 o    8.638000      0.2388000       8.987000 0.3255000       8.290000      0.3493000      0.6967000      0.4775000
  1 1 1      -4    9   24 o    12.74000      0.2464000       12.52000 0.3359000       12.96000      0.3607000     -0.4335000      0.4929000
  1 1 1      -4    9   25 o    3.992000      0.4164000       4.325000 0.4927000       3.659000      0.6713000      0.6666000      0.8327000
  1 1 1      -4    9   26 o    10.12000      0.2481000       10.12000 0.3329000       10.11000      0.3680000      0.8059000E-02  0.4963000
  1 1 1      -4    9   27 o    4.345000      0.3996000       4.133000 0.5489000       4.557000      0.5808000     -0.4245000      0.7992000
  1 1 1      -4    9   28 o    7.774000      0.2806000       8.488000 0.3506000       7.059000      0.4383000       1.428000      0.5613000
  1 1 1      -4    9   29 o    7.527000      0.2907000       7.293000 0.4003000       7.761000      0.4217000     -0.4687000      0.5815000
  1 1 1      -4    9   30 o    4.649000      0.4704000       5.457000 0.4985000       3.841000      0.7979000       1.616000      0.9408000
  1 1 1      -4    9   31 o    2.595000      0.6243000       2.326000 0.8441000       2.865000      0.9202000     -0.5386000       1.249000
  1 1 1      -4    9   32 o    3.911000      0.5445000       3.406000 0.7630000       4.416000      0.7769000      -1.010000       1.089000
  1 1 1      -4    9   33 o    7.349000      0.3260000       7.616000 0.4132000       7.082000      0.5044000      0.5341000      0.6520000
  1 1 1      -4    9   34 o    2.276000      0.6178000       2.385000 0.8756000       2.167000      0.8719000      0.2182000       1.236000
  1 1 1      -4    9   35 f    2.279000      0.6595000       1.667000 0.7789000       2.890000       1.065000      -1.222000       1.319000
  1 1 1      -4    9   36 o    3.053000      0.6045000       3.534000 0.8069000       2.572000      0.9003000      0.9628000       1.209000
  1 1 1      -4   10    1 o    18.34000      0.2603000       18.01000 0.3652000       18.67000      0.3711000     -0.6628000      0.5206000
  1 1 1      -4   10    2 o    10.09000      0.1707000       10.07000 0.2451000       10.10000      0.2377000     -0.3691000E-01  0.3414000
  1 1 1      -4   10    3 o    21.97000      0.3043000       22.34000 0.4376000       21.60000      0.4230000      0.7409000      0.6086000
  1 1 1      -4   10    4 o    16.51000      0.2368000       16.40000 0.3340000       16.62000      0.3356000     -0.2155000      0.4735000
  1 1 1      -4   10    5 o    7.471000      0.1571000       7.450000 0.2254000       7.493000      0.2188000     -0.4322000E-01  0.3142000
  1 1 1      -4   10    6 o    13.83000      0.2079000       13.91000 0.2963000       13.76000      0.2919000      0.1525000      0.4159000
  1 1 1      -4   10    7 o    17.84000      0.2563000       17.80000 0.3619000       17.88000      0.3631000     -0.8162000E-01  0.5127000
  1 1 1      -4   10    8 o    7.240000      0.1702000       7.357000 0.2412000       7.124000      0.2402000      0.2326000      0.3404000
  1 1 1      -4   10    9 o    14.44000      0.2209000       14.23000 0.3095000       14.65000      0.3152000     -0.4202000      0.4418000
  1 1 1      -4   10   10 o    3.985000      0.2287000       3.908000 0.3231000       4.062000      0.3239000     -0.1536000      0.4575000
  1 1 1      -4   10   11 o    9.537000      0.1857000       9.572000 0.2604000       9.502000      0.2647000      0.6992000E-01  0.3713000
  1 1 1      -4   10   12 o    5.935000      0.1997000       5.830000 0.2789000       6.040000      0.2858000     -0.2100000      0.3993000
  1 1 1      -4   10   13 o    8.750000      0.1925000       8.780000 0.2740000       8.720000      0.2704000      0.5929000E-01  0.3850000
  1 1 1      -4   10   14 o    5.726000      0.2190000       5.904000 0.3050000       5.547000      0.3143000      0.3571000      0.4380000
  1 1 1      -4   10   15 o    4.714000      0.3363000       4.583000 0.4510000       4.845000      0.4989000     -0.2614000      0.6726000
  1 1 1      -4   10   16 o    2.761000      0.5053000       3.074000 0.6123000       2.448000      0.8040000      0.6260000       1.011000
  1 1 1      -4   10   17 o    5.029000      0.2562000       5.124000 0.3521000       4.934000      0.3723000      0.1900000      0.5124000
  1 1 1      -4   10   18 o    7.248000      0.2305000       7.161000 0.3243000       7.336000      0.3275000     -0.1743000      0.4609000
  1 1 1      -4   10   19 o    2.963000      0.6087000       3.389000 0.8922000       2.537000      0.8284000      0.8518000       1.217000
  1 1 1      -4   10   20 o    5.140000      0.4693000       5.256000 0.7256000       5.024000      0.5955000      0.2315000      0.9387000
  1 1 1      -4   10   21 o    9.701000      0.2337000       9.201000 0.3331000       10.20000      0.3278000      -1.001000      0.4674000
  1 1 1      -4   10   22 o    4.325000      0.3547000       4.812000 0.4726000       3.838000      0.5292000      0.9737000      0.7095000
  1 1 1      -4   10   23 o    7.641000      0.2529000       7.821000 0.3625000       7.461000      0.3526000      0.3607000      0.5057000
  1 1 1      -4   10   24 o    5.395000      0.3250000       4.872000 0.4986000       5.918000      0.4168000      -1.046000      0.6499000
  1 1 1      -4   10   25 o    5.457000      0.3200000       4.906000 0.4520000       6.007000      0.4531000      -1.101000      0.6400000
  1 1 1      -4   10   26 o    3.923000      0.4445000       3.860000 0.5919000       3.985000      0.6633000     -0.1252000      0.8890000
  1 1 1      -4   10   27 o    6.894000      0.2896000       6.887000 0.3793000       6.901000      0.4378000     -0.1343000E-01  0.5793000
  1 1 1      -4   10   28 o    6.269000      0.3087000       6.304000 0.4084000       6.233000      0.4630000      0.7053000E-01  0.6174000
  1 1 1      -4   10   29 o    8.511000      0.2844000       8.602000 0.3770000       8.420000      0.4259000      0.1813000      0.5687000
  1 1 1      -4   10   30 o    4.880000      0.4389000       5.474000 0.4745000       4.285000      0.7384000       1.189000      0.8777000
  1 1 1      -4   10   31 o    2.950000      0.5882000       2.116000 0.8259000       3.784000      0.8379000      -1.669000       1.176000
  1 1 1      -4   10   32 o    6.382000      0.3650000       6.086000 0.4864000       6.679000      0.5444000     -0.5931000      0.7301000
  1 1 1      -4   10   33 o    2.943000      0.6218000       3.012000 0.8245000       2.874000      0.9308000      0.1384000       1.244000
  1 1 1      -4   10   34 o    4.055000      0.6781000       4.867000 0.8014000       3.244000       1.094000       1.623000       1.356000
  1 1 1      -4   10   35 o    1.798000      0.5572000       2.015000 0.8380000       1.581000      0.7346000      0.4340000       1.114000
  1 1 1      -4   11    1 o    15.99000      0.2836000       16.32000 0.4654000       15.65000      0.3243000      0.6757000      0.5673000
  1 1 1      -4   11    2 o    5.504000      0.1731000       5.605000 0.2490000       5.403000      0.2404000      0.2018000      0.3461000
  1 1 1      -4   11    3 o    17.06000      0.2454000       17.08000 0.3492000       17.05000      0.3450000      0.2847000E-01  0.4909000
  1 1 1      -4   11    4 o    19.22000      0.3347000       18.49000 0.3703000       19.96000      0.5576000      -1.476000      0.6693000
  1 1 1      -4   11    5 o    9.401000      0.1690000       9.291000 0.2428000       9.512000      0.2352000     -0.2207000      0.3380000
  1 1 1      -4   11    6 o    5.491000      0.1713000       5.426000 0.2484000       5.556000      0.2358000     -0.1292000      0.3425000
  1 1 1      -4   11    7 o    7.861000      0.1652000       7.736000 0.2325000       7.987000      0.2347000     -0.2510000      0.3303000
  1 1 1      -4   11    8 o    5.434000      0.1799000       5.310000 0.2591000       5.558000      0.2496000     -0.2477000      0.3598000
  1 1 1      -4   11    9 o    8.153000      0.1758000       8.109000 0.2479000       8.196000      0.2494000     -0.8741000E-01  0.3517000
  1 1 1      -4   11   10 o    2.893000      0.3130000       2.991000 0.4149000       2.796000      0.4688000      0.1946000      0.6260000
  1 1 1      -4   11   11 o    5.672000      0.1995000       5.821000 0.2810000       5.524000      0.2833000      0.2974000      0.3990000
  1 1 1      -4   11   12 f    3.986000      0.2540000       4.057000 0.3558000       3.916000      0.3626000      0.1408000      0.5080000
  1 1 1      -4   11   13 o    5.278000      0.3012000       5.371000 0.3959000       5.185000      0.4539000      0.1856000      0.6024000
  1 1 1      -4   11   14 o    9.588000      0.2740000       9.025000 0.3692000       10.15000      0.4048000      -1.126000      0.5479000
  1 1 1      -4   11   15 o    7.752000      0.2076000       7.585000 0.2969000       7.920000      0.2902000     -0.3358000      0.4151000
  1 1 1      -4   11   16 o    6.470000      0.2222000       6.791000 0.3098000       6.149000      0.3186000      0.6421000      0.4444000
  1 1 1      -4   11   17 o    1.970000      0.5432000       2.542000 0.8797000       1.399000      0.6373000       1.143000       1.086000
  1 1 1      -4   11   18 o    8.516000      0.3391000       8.202000 0.5031000       8.830000      0.4547000     -0.6280000      0.6782000
  1 1 1      -4   11   19 o    4.700000      0.3057000       4.307000 0.4701000       5.093000      0.3908000     -0.7868000      0.6113000
  1 1 1      -4   11   20 o    1.935000      0.5090000       2.060000 0.7149000       1.809000      0.7248000      0.2508000       1.018000
  1 1 1      -4   11   21 o    7.762000      0.2444000       7.850000 0.3396000       7.675000      0.3516000      0.1753000      0.4888000
  1 1 1      -4   11   22 o    12.45000      0.2475000       12.17000 0.3509000       12.73000      0.3490000     -0.5650000      0.4949000
  1 1 1      -4   11   23 o    10.76000      0.2470000       10.66000 0.3582000       10.85000      0.3401000     -0.1924000      0.4939000
  1 1 1      -4   11   24 o    3.743000      0.4494000       3.904000 0.5915000       3.581000      0.6768000      0.3226000      0.8988000
  1 1 1      -4   11   25 o    1.886000      0.5388000       1.874000 0.7509000       1.898000      0.7727000     -0.2446000E-01   1.078000
  1 1 1      -4   11   26 o    6.990000      0.2991000       6.920000 0.4150000       7.060000      0.4309000     -0.1398000      0.5982000
  1 1 1      -4   11   27 o    1.540000      0.4753000       1.919000 0.7564000       1.161000      0.5756000      0.7582000      0.9505000
  1 1 1      -4   11   28 o    1.568000      0.5032000       1.544000 0.6923000       1.592000      0.7305000     -0.4817000E-01   1.006000
  1 1 1      -4   11   29 o    5.742000      0.3738000       5.752000 0.4677000       5.733000      0.5831000      0.1904000E-01  0.7475000
  1 1 1      -4   11   30 o    2.750000      0.6176000       2.947000 0.8052000       2.554000      0.9368000      0.3927000       1.235000
  1 1 1      -4   11   31 o    2.515000      0.6261000       2.236000 0.8313000       2.793000      0.9366000     -0.5568000       1.252000
  1 1 1      -4   11   32 o    2.690000      0.6256000       2.260000 0.8342000       3.121000      0.9326000     -0.8612000       1.251000
  1 1 1      -4   11   33 o    4.193000      0.7153000       4.323000 0.8754000       4.062000       1.132000      0.2613000       1.431000
  1 1 1      -4   11   34 o    2.202000      0.5621000       2.896000 0.8680000       1.508000      0.7145000       1.388000       1.124000
  1 1 1      -4   11   35 o    1.613000      0.5134000       1.988000 0.8293000       1.237000      0.6056000      0.7519000       1.027000
  1 1 1      -4   12    1 o    8.668000      0.1886000       8.878000 0.2773000       8.457000      0.2557000      0.4208000      0.3772000
  1 1 1      -4   12    2 f    2.437000      0.3461000       2.326000 0.5430000       2.548000      0.4293000     -0.2227000      0.6922000
  1 1 1      -4   12    3 o    4.993000      0.1879000       5.025000 0.2762000       4.960000      0.2548000      0.6558000E-01  0.3758000
  1 1 1      -4   12    4 o    8.432000      0.1696000       8.781000 0.2484000       8.083000      0.2311000      0.6979000      0.3393000
  1 1 1      -4   12    5 o    2.484000      0.3139000       2.089000 0.5034000       2.879000      0.3751000     -0.7897000      0.6277000
  1 1 1      -4   12    6 o    9.349000      0.1713000       9.189000 0.2425000       9.509000      0.2422000     -0.3208000      0.3427000
  1 1 1      -4   12    7 o    9.280000      0.1768000       9.442000 0.2540000       9.119000      0.2461000      0.3235000      0.3536000
  1 1 1      -4   12    8 o    17.12000      0.2501000       17.25000 0.3569000       16.99000      0.3504000      0.2570000      0.5001000
  1 1 1      -4   12    9 o    6.644000      0.1782000       6.719000 0.2589000       6.570000      0.2449000      0.1487000      0.3564000
  1 1 1      -4   12   10 o    3.792000      0.2505000       4.097000 0.3295000       3.488000      0.3774000      0.6086000      0.5010000
  1 1 1      -4   12   11 o    1.905000      0.4766000       1.542000 0.6285000       2.269000      0.7166000     -0.7263000      0.9532000
  1 1 1      -4   12   12 o    2.205000      0.4727000       1.594000 0.6503000       2.817000      0.6863000      -1.223000      0.9454000
  1 1 1      -4   12   13 o    3.060000      0.3461000       2.734000 0.5199000       3.387000      0.4571000     -0.6536000      0.6923000
  1 1 1      -4   12   14 o    7.476000      0.1994000       7.700000 0.2815000       7.252000      0.2826000      0.4483000      0.3989000
  1 1 1      -4   12   15 o    2.429000      0.5609000       2.265000 0.8486000       2.593000      0.7337000     -0.3279000       1.122000
  1 1 1      -4   12   16 o    3.345000      0.5483000       3.917000 0.7911000       2.774000      0.7595000       1.143000       1.097000
  1 1 1      -4   12   17 o    4.961000      0.2818000       5.268000 0.3804000       4.654000      0.4159000      0.6135000      0.5636000
  1 1 1      -4   12   18 o    5.242000      0.2709000       5.259000 0.3800000       5.225000      0.3863000      0.3453000E-01  0.5418000
  1 1 1      -4   12   19 o    8.312000      0.2299000       8.369000 0.3274000       8.255000      0.3229000      0.1137000      0.4599000
  1 1 1      -4   12   20 o    5.190000      0.4171000       5.190000 0.4171000                  ?              ?              ?              ?
  1 1 1      -4   12   21 o    5.280000      0.2990000       4.869000 0.4484000       5.690000      0.3955000     -0.8210000      0.5979000
  1 1 1      -4   12   22 o    3.882000      0.6067000                  ?       ?   3.882000      0.6067000                  ?              ?
  1 1 1      -4   12   23 o    3.527000      0.4718000       3.402000 0.6958000       3.651000      0.6375000     -0.2491000      0.9437000
  1 1 1      -4   12   24 o    4.228000      0.4046000       4.543000 0.5201000       3.914000      0.6199000      0.6298000      0.8092000
  1 1 1      -4   12   25 o    3.239000      0.5101000       3.458000 0.6860000       3.021000      0.7550000      0.4372000       1.020000
  1 1 1      -4   12   26 o    9.069000      0.2714000       9.126000 0.3772000       9.011000      0.3904000      0.1152000      0.5428000
  1 1 1      -4   12   27 f    4.488000      0.4171000       4.244000 0.5967000       4.731000      0.5830000     -0.4861000      0.8343000
  1 1 1      -4   12   28 o    4.267000      0.5303000       3.581000 0.8890000       4.952000      0.5783000      -1.372000       1.061000
  1 1 1      -4   12   29 o    5.757000      0.3547000       5.322000 0.4924000       6.193000      0.5107000     -0.8707000      0.7094000
  1 1 1      -4   12   30 o    4.550000      0.4412000       4.336000 0.5931000       4.765000      0.6535000     -0.4293000      0.8825000
  1 1 1      -4   12   31 o    2.834000      0.6643000       3.429000 0.8946000       2.239000      0.9824000       1.190000       1.329000
  1 1 1      -4   12   32 o    2.542000      0.7165000       2.261000 0.9198000       2.824000       1.099000     -0.5624000       1.433000
  1 1 1      -4   12   33 o    3.856000      0.5449000       3.604000 0.7340000       4.108000      0.8056000     -0.5034000       1.090000
  1 1 1      -4   12   34 o    2.416000      0.6271000       2.032000 0.9124000       2.801000      0.8604000     -0.7689000       1.254000
  1 1 1      -4   13    1 o    3.994000      0.2677000       4.430000 0.3570000       3.559000      0.3989000      0.8710000      0.5354000
  1 1 1      -4   13    2 o    3.680000      0.2711000       3.806000 0.3890000       3.554000      0.3777000      0.2520000      0.5422000
  1 1 1      -4   13    3 o    4.979000      0.2158000       4.861000 0.3298000       5.097000      0.2785000     -0.2363000      0.4316000
  1 1 1      -4   13    4 o    1.538000      0.4061000       1.533000 0.5970000       1.543000      0.5508000     -0.9828000E-02  0.8123000
  1 1 1      -4   13    5 o    12.36000      0.2004000       12.28000 0.2857000       12.43000      0.2810000     -0.1485000      0.4007000
  1 1 1      -4   13    6 o    7.974000      0.1720000       7.943000 0.2445000       8.005000      0.2421000     -0.6176000E-01  0.3441000
  1 1 1      -4   13    7 o    11.57000      0.1942000       11.36000 0.2750000       11.78000      0.2742000     -0.4224000      0.3884000
  1 1 1      -4   13    8 f    10.44000      0.2594000       10.25000 0.3628000       10.63000      0.3710000     -0.3781000      0.5189000
  1 1 1      -4   13    9 o    3.352000      0.3912000       3.423000 0.5368000       3.280000      0.5691000      0.1429000      0.7823000
  1 1 1      -4   13   10 f    5.136000      0.2766000       5.048000 0.3767000       5.224000      0.4051000     -0.1760000      0.5531000
  1 1 1      -4   13   11 o    5.796000      0.2069000       5.606000 0.3009000       5.985000      0.2841000     -0.3786000      0.4139000
  1 1 1      -4   13   12 o    5.985000      0.2096000       5.933000 0.2963000       6.036000      0.2965000     -0.1030000      0.4191000
  1 1 1      -4   13   13 f    4.958000      0.3811000       4.505000 0.6109000       5.410000      0.4559000     -0.9050000      0.7623000
  1 1 1      -4   13   14 o    2.659000      0.5423000       2.674000 0.8122000       2.645000      0.7190000      0.2912000E-01   1.085000
  1 1 1      -4   13   15 o    4.175000      0.2934000       4.524000 0.3833000       3.825000      0.4444000      0.6987000      0.5868000
  1 1 1      -4   13   16 o    1.913000      0.4618000       2.271000 0.6671000       1.555000      0.6388000      0.7159000      0.9236000
  1 1 1      -4   13   17 o    8.199000      0.2160000       8.255000 0.3112000       8.143000      0.2997000      0.1115000      0.4321000
  1 1 1      -4   13   18 o    3.398000      0.4044000       2.995000 0.6180000       3.801000      0.5216000     -0.8061000      0.8087000
  1 1 1      -4   13   19 o    2.858000      0.4685000       2.786000 0.6758000       2.930000      0.6490000     -0.1443000      0.9370000
  1 1 1      -4   13   20 o    12.94000      0.3469000       12.94000 0.3469000                  ?              ?              ?              ?
  1 1 1      -4   13   21 o    3.411000      0.4420000       3.645000 0.5961000       3.176000      0.6527000      0.4692000      0.8839000
  1 1 1      -4   13   22 o    5.290000      0.4286000                  ?       ?   5.290000      0.4286000                  ?              ?
  1 1 1      -4   13   23 o    4.830000      0.3578000       4.896000 0.5021000       4.764000      0.5098000      0.1317000      0.7155000
  1 1 1      -4   13   24 f    7.488000      0.2778000       7.146000 0.3998000       7.830000      0.3859000     -0.6832000      0.5556000
  1 1 1      -4   13   25 o    4.686000      0.3950000       4.600000 0.5499000       4.772000      0.5672000     -0.1720000      0.7900000
  1 1 1      -4   13   26 o    7.698000      0.2925000       7.761000 0.4045000       7.635000      0.4228000      0.1258000      0.5851000
  1 1 1      -4   13   27 o    1.960000      0.5720000       1.901000 0.7896000       2.020000      0.8277000     -0.1193000       1.144000
  1 1 1      -4   13   28 o    3.095000      0.6012000       3.620000 0.7775000       2.570000      0.9171000       1.050000       1.202000
  1 1 1      -4   13   29 o    2.774000      0.6186000       2.223000 0.8312000       3.324000      0.9164000      -1.101000       1.237000
  1 1 1      -4   13   30 o    3.600000      0.6845000       2.522000 0.9124000       4.677000       1.021000      -2.155000       1.369000
  1 1 1      -4   13   31 o    1.987000      0.5779000       1.601000 0.7216000       2.374000      0.9030000     -0.7732000       1.156000
  1 1 1      -4   13   32 o    2.702000      0.6136000       2.656000 0.8414000       2.749000      0.8934000     -0.9352000E-01   1.227000
  1 1 1      -4   13   33 o    2.643000      0.7254000       2.446000 0.9949000       2.840000       1.056000     -0.3949000       1.451000
  1 1 1      -4   13   34 o    2.074000      0.6514000       1.937000 0.8904000       2.211000      0.9509000     -0.2743000       1.303000
  1 1 1      -4   14    1 o    3.421000      0.3421000       3.289000 0.5101000       3.554000      0.4558000     -0.2656000      0.6841000
  1 1 1      -4   14    2 o    3.658000      0.3091000       3.578000 0.4668000       3.739000      0.4052000     -0.1613000      0.6181000
  1 1 1      -4   14    3 o    12.31000      0.2140000       12.45000 0.3130000       12.17000      0.2920000      0.2871000      0.4281000
  1 1 1      -4   14    4 f    7.956000      0.1879000       8.011000 0.2772000       7.901000      0.2536000      0.1101000      0.3757000
  1 1 1      -4   14    5 o    9.170000      0.2868000       9.357000 0.4171000       8.982000      0.3938000      0.3752000      0.5736000
  1 1 1      -4   14    6 o    6.322000      0.2818000       6.253000 0.4095000       6.391000      0.3873000     -0.1382000      0.5637000
  1 1 1      -4   14    7 o    6.040000      0.2765000       6.041000 0.3904000       6.038000      0.3917000      0.3392000E-02  0.5530000
  1 1 1      -4   14    8 o    4.812000      0.2266000       4.440000 0.3535000       5.185000      0.2835000     -0.7443000      0.4531000
  1 1 1      -4   14    9 f    3.801000      0.2622000       3.786000 0.3895000       3.816000      0.3511000     -0.2940000E-01  0.5244000
  1 1 1      -4   14   10 o    3.923000      0.2493000       4.196000 0.3264000       3.650000      0.3770000      0.5463000      0.4986000
  1 1 1      -4   14   11 o    6.774000      0.3013000       6.599000 0.4670000       6.949000      0.3810000     -0.3493000      0.6027000
  1 1 1      -4   14   12 f    2.249000      0.4690000       1.493000 0.6751000       3.004000      0.6512000      -1.512000      0.9380000
  1 1 1      -4   14   13 o    7.816000      0.2069000       8.020000 0.2953000       7.612000      0.2900000      0.4083000      0.4138000
  1 1 1      -4   14   14 o    5.586000      0.2416000       5.896000 0.3356000       5.275000      0.3477000      0.6211000      0.4832000
  1 1 1      -4   14   15 o    5.294000      0.2504000       5.038000 0.3707000       5.550000      0.3367000     -0.5118000      0.5008000
  1 1 1      -4   14   16 o    6.478000      0.2323000       6.962000 0.3173000       5.994000      0.3392000      0.9684000      0.4645000
  1 1 1      -4   14   17 o    8.396000      0.2198000       7.929000 0.3195000       8.863000      0.3019000     -0.9341000      0.4396000
  1 1 1      -4   14   18 o    3.346000      0.4090000       3.665000 0.5333000       3.026000      0.6201000      0.6392000      0.8179000
  1 1 1      -4   14   19 f    2.783000      0.4734000       2.577000 0.6771000       2.989000      0.6619000     -0.4127000      0.9469000
  1 1 1      -4   14   20 o    8.586000      0.2372000       8.805000 0.3440000       8.367000      0.3267000      0.4381000      0.4744000
  1 1 1      -4   14   21 o    9.359000      0.2424000       9.221000 0.3510000       9.496000      0.3344000     -0.2743000      0.4848000
  1 1 1      -4   14   22 o    3.808000      0.3950000       3.783000 0.5349000       3.834000      0.5814000     -0.5132000E-01  0.7901000
  1 1 1      -4   14   23 o    3.794000      0.4289000       3.526000 0.6403000       4.062000      0.5709000     -0.5356000      0.8579000
  1 1 1      -4   14   24 o    4.679000      0.3903000       5.152000 0.4794000       4.206000      0.6161000      0.9458000      0.7806000
  1 1 1      -4   14   25 o    6.648000      0.3103000       6.992000 0.4174000       6.304000      0.4592000      0.6885000      0.6206000
  1 1 1      -4   14   26 o    5.636000      0.3598000       5.295000 0.5127000       5.977000      0.5050000     -0.6820000      0.7196000
  1 1 1      -4   14   27 o    8.385000      0.2985000       8.659000 0.4160000       8.112000      0.4282000      0.5469000      0.5970000
  1 1 1      -4   14   28 o    4.075000      0.6017000       4.599000 0.5732000       3.550000       1.058000       1.048000       1.203000
  1 1 1      -4   14   29 o    2.908000      0.6982000       3.216000 0.9226000       2.600000       1.048000      0.6154000       1.396000
  1 1 1      -4   14   30 o    3.703000      0.5794000       3.175000 0.8821000       4.230000      0.7516000      -1.055000       1.159000
  1 1 1      -4   14   31 o    5.271000      0.4400000       4.552000 0.6786000       5.991000      0.5602000      -1.439000      0.8799000
  1 1 1      -4   14   32 f    2.657000      0.7351000       2.833000 1.073000       2.481000       1.005000      0.3511000       1.470000
  1 1 1      -4   14   33 o    2.692000      0.6203000       2.152000 0.8508000       3.232000      0.9029000      -1.080000       1.241000
  1 1 1      -4   15    1 o    6.807000      0.6245000       6.979000 1.066000       6.634000      0.6508000      0.3446000       1.249000
  1 1 1      -4   15    2 o    5.467000      0.7227000       4.105000 1.298000       6.828000      0.6362000      -2.723000       1.445000
  1 1 1      -4   15    3 o    8.790000      0.4272000       8.994000 0.6794000       8.587000      0.5180000      0.4071000      0.8543000
  1 1 1      -4   15    4 o    2.475000      0.4076000       2.979000 0.4942000       1.971000      0.6484000       1.009000      0.8153000
  1 1 1      -4   15    5 o    3.124000      0.3280000       3.215000 0.4746000       3.033000      0.4528000      0.1815000      0.6559000
  1 1 1      -4   15    6 o    3.317000      0.3187000       3.520000 0.4579000       3.115000      0.4433000      0.4046000      0.6374000
  1 1 1      -4   15    7 o    4.146000      0.2487000       4.256000 0.3541000       4.036000      0.3493000      0.2196000      0.4974000
  1 1 1      -4   15    8 o    4.804000      0.3151000       4.437000 0.5012000       5.170000      0.3821000     -0.7333000      0.6302000
  1 1 1      -4   15    9 o    5.985000      0.2876000       5.801000 0.4498000       6.169000      0.3587000     -0.3687000      0.5753000
  1 1 1      -4   15   10 o    4.804000      0.2502000       4.822000 0.3680000       4.787000      0.3391000      0.3411000E-01  0.5004000
  1 1 1      -4   15   11 f    1.640000      0.4445000       1.602000 0.6282000       1.678000      0.6291000     -0.7541000E-01  0.8890000
  1 1 1      -4   15   12 o    4.472000      0.2604000       4.127000 0.3898000       4.818000      0.3453000     -0.6915000      0.5207000
  1 1 1      -4   15   13 o    4.617000      0.2578000       4.621000 0.3719000       4.613000      0.3572000      0.8130000E-02  0.5157000
  1 1 1      -4   15   14 o    6.911000      0.2135000       6.862000 0.3053000       6.960000      0.2985000     -0.9739000E-01  0.4270000
  1 1 1      -4   15   15 o    8.630000      0.2143000       8.756000 0.3068000       8.505000      0.2993000      0.2506000      0.4286000
  1 1 1      -4   15   16 o    8.015000      0.2204000       7.967000 0.3167000       8.063000      0.3067000     -0.9596000E-01  0.4409000
  1 1 1      -4   15   17 o    2.464000      0.4725000       2.142000 0.7028000       2.787000      0.6318000     -0.6447000      0.9450000
  1 1 1      -4   15   18 o    4.640000      0.3006000       4.794000 0.4137000       4.486000      0.4362000      0.3081000      0.6012000
  1 1 1      -4   15   19 o    2.395000      0.4673000       1.739000 0.6990000       3.050000      0.6203000      -1.311000      0.9346000
  1 1 1      -4   15   20 o    5.970000      0.2828000       5.970000 0.3902000       5.969000      0.4095000      0.6289000E-03  0.5657000
  1 1 1      -4   15   21 o    8.294000      0.2483000       7.910000 0.3612000       8.679000      0.3410000     -0.7692000      0.4967000
  1 1 1      -4   15   22 o    3.878000      0.4322000       4.046000 0.6019000       3.709000      0.6204000      0.3370000      0.8644000
  1 1 1      -4   15   23 o    3.228000      0.5331000       3.317000 0.7204000       3.139000      0.7861000      0.1782000       1.066000
  1 1 1      -4   15   24 o    6.320000      0.3257000       6.166000 0.4704000       6.475000      0.4507000     -0.3095000      0.6514000
  1 1 1      -4   15   25 o    4.500000      0.4199000       4.268000 0.6070000       4.732000      0.5804000     -0.4645000      0.8398000
  1 1 1      -4   15   26 o    7.093000      0.3215000       6.947000 0.4547000       7.239000      0.4546000     -0.2923000      0.6429000
  1 1 1      -4   15   27 o    6.133000      0.4646000       6.366000 0.5637000       5.901000      0.7387000      0.4645000      0.9292000
  1 1 1      -4   15   28 f    2.980000      0.6181000       2.770000 0.8843000       3.190000      0.8637000     -0.4197000       1.236000
  1 1 1      -4   15   29 o    5.162000      0.4341000       4.889000 0.6341000       5.435000      0.5928000     -0.5460000      0.8681000
  1 1 1      -4   15   30 o    5.080000      0.7078000       5.252000 1.054000       4.907000      0.9447000      0.3452000       1.416000
  1 1 1      -4   15   31 o    4.014000      0.7256000       3.003000 1.130000       5.025000      0.9111000      -2.023000       1.451000
  1 1 1      -4   15   32 o    2.685000      0.6321000       2.185000 0.8813000       3.185000      0.9065000      -1.001000       1.264000
  1 1 1      -4   15   33 o    3.223000      0.6818000       2.877000 1.050000       3.568000      0.8700000     -0.6906000       1.364000
  1 1 1      -4   16    1 o    5.384000      0.3127000       5.255000 0.4375000       5.513000      0.4468000     -0.2581000      0.6254000
  1 1 1      -4   16    2 o    1.673000      0.4264000       1.127000 0.5357000       2.220000      0.6637000      -1.093000      0.8529000
  1 1 1      -4   16    3 o    1.866000      0.4685000       1.611000 0.6654000       2.120000      0.6598000     -0.5092000      0.9371000
  1 1 1      -4   16    4 o    3.250000      0.4271000       2.518000 0.7148000       3.983000      0.4678000      -1.465000      0.8543000
  1 1 1      -4   16    5 o    1.610000      0.4610000       1.672000 0.6742000       1.547000      0.6290000      0.1245000      0.9220000
  1 1 1      -4   16    6 o    5.032000      0.2882000       5.635000 0.4070000       4.429000      0.4082000       1.206000      0.5764000
  1 1 1      -4   16    7 o    6.840000      0.2176000       7.044000 0.3212000       6.636000      0.2937000      0.4087000      0.4352000
  1 1 1      -4   16    8 o    7.726000      0.2054000       7.811000 0.3023000       7.642000      0.2781000      0.1692000      0.4107000
  1 1 1      -4   16    9 o    6.667000      0.2088000       6.607000 0.3110000       6.728000      0.2786000     -0.1202000      0.4175000
  1 1 1      -4   16   10 o    3.993000      0.2756000       4.120000 0.3968000       3.866000      0.3826000      0.2538000      0.5512000
  1 1 1      -4   16   11 o    7.687000      0.2052000       7.848000 0.2946000       7.527000      0.2856000      0.3213000      0.4103000
  1 1 1      -4   16   12 o    5.999000      0.2304000       6.004000 0.3335000       5.993000      0.3181000      0.1115000E-01  0.4609000
  1 1 1      -4   16   13 f    4.832000      0.2613000       5.072000 0.3617000       4.592000      0.3770000      0.4801000      0.5225000
  1 1 1      -4   16   14 o    7.618000      0.2145000       7.596000 0.3048000       7.640000      0.3020000     -0.4337000E-01  0.4291000
  1 1 1      -4   16   15 o    9.942000      0.2132000       10.11000 0.3087000       9.776000      0.2941000      0.3321000      0.4263000
  1 1 1      -4   16   16 o    1.799000      0.4872000       1.866000 0.7046000       1.731000      0.6731000      0.1348000      0.9744000
  1 1 1      -4   16   17 o    4.253000      0.3244000       3.814000 0.5100000       4.692000      0.4011000     -0.8778000      0.6488000
  1 1 1      -4   16   18 o    7.915000      0.2368000       7.417000 0.3464000       8.414000      0.3230000     -0.9967000      0.4736000
  1 1 1      -4   16   19 o    2.556000      0.4828000       1.913000 0.7178000       3.199000      0.6460000      -1.286000      0.9657000
  1 1 1      -4   16   20 o    4.053000      0.3782000       4.085000 0.5071000       4.022000      0.5611000      0.6228000E-01  0.7563000
  1 1 1      -4   16   21 o    2.653000      0.5123000       2.953000 0.6773000       2.353000      0.7689000      0.6004000       1.025000
  1 1 1      -4   16   22 o    6.535000      0.2917000       6.590000 0.4149000       6.481000      0.4101000      0.1083000      0.5833000
  1 1 1      -4   16   23 o    5.570000      0.3488000       4.988000 0.5452000       6.152000      0.4351000      -1.163000      0.6975000
  1 1 1      -4   16   24 o    4.628000      0.4020000       4.523000 0.5905000       4.733000      0.5456000     -0.2092000      0.8040000
  1 1 1      -4   16   25 o    8.376000      0.3619000       8.579000 0.4644000       8.173000      0.5551000      0.4061000      0.7237000
  1 1 1      -4   16   26 o    2.662000      0.6864000       2.536000 0.9109000       2.789000       1.027000     -0.2526000       1.373000
  1 1 1      -4   16   27 o    2.379000      0.6152000       2.446000 0.8718000       2.311000      0.8684000      0.1353000       1.230000
  1 1 1      -4   16   28 o    4.035000      0.7089000       4.066000 1.249000       4.005000      0.6712000      0.6067000E-01   1.418000
  1 1 1      -4   16   29 o    2.736000      0.7816000       3.378000 1.260000       2.094000      0.9257000       1.283000       1.563000
  1 1 1      -4   16   30 o    6.218000      0.3873000       6.417000 0.5241000       6.018000      0.5705000      0.3996000      0.7747000
  1 1 1      -4   16   31 o    3.023000      0.6228000       2.334000 0.8849000       3.711000      0.8767000      -1.377000       1.246000
  1 1 1      -4   16   32 o    2.008000      0.5988000       2.010000 0.8415000       2.005000      0.8522000      0.4037000E-02   1.198000
  1 1 1      -4   17    1 o    5.665000      0.3429000       5.606000 0.4845000       5.725000      0.4854000     -0.1191000      0.6859000
  1 1 1      -4   17    2 o    2.849000      0.5034000       2.998000 0.6935000       2.700000      0.7298000      0.2977000       1.007000
  1 1 1      -4   17    3 o    2.990000      0.4764000       3.120000 0.6903000       2.860000      0.6568000      0.2596000      0.9528000
  1 1 1      -4   17    4 o    5.874000      0.2685000       5.742000 0.4077000       6.005000      0.3496000     -0.2634000      0.5370000
  1 1 1      -4   17    5 f    5.886000      0.2535000       5.598000 0.3905000       6.174000      0.3232000     -0.5767000      0.5069000
  1 1 1      -4   17    6 o    4.232000      0.3043000       4.079000 0.4816000       4.385000      0.3721000     -0.3059000      0.6086000
  1 1 1      -4   17    7 o    2.091000      0.4054000       1.427000 0.6179000       2.756000      0.5250000      -1.328000      0.8108000
  1 1 1      -4   17    8 o    4.107000      0.3283000       4.206000 0.4848000       4.008000      0.4429000      0.1986000      0.6567000
  1 1 1      -4   17    9 f    11.16000      0.2102000       11.45000 0.3077000       10.88000      0.2863000      0.5737000      0.4203000
  1 1 1      -4   17   10 f    11.96000      0.2147000       11.87000 0.3087000       12.05000      0.2985000     -0.1803000      0.4294000
  1 1 1      -4   17   11 o    13.84000      0.2280000       13.68000 0.3238000       14.00000      0.3212000     -0.3190000      0.4561000
  1 1 1      -4   17   12 o    10.57000      0.2117000       10.21000 0.3044000       10.93000      0.2943000     -0.7180000      0.4235000
  1 1 1      -4   17   13 o    9.682000      0.2119000       9.835000 0.3102000       9.528000      0.2888000      0.3073000      0.4238000
  1 1 1      -4   17   14 o    3.379000      0.3813000       3.128000 0.5829000       3.629000      0.4919000     -0.5006000      0.7627000
  1 1 1      -4   17   15 o    3.033000      0.4116000       3.075000 0.5723000       2.990000      0.5917000      0.8496000E-01  0.8231000
  1 1 1      -4   17   16 o    6.720000      0.2400000       6.458000 0.3498000       6.982000      0.3287000     -0.5247000      0.4800000
  1 1 1      -4   17   17 o    4.423000      0.3254000       4.282000 0.4795000       4.563000      0.4401000     -0.2809000      0.6509000
  1 1 1      -4   17   18 o    5.556000      0.2803000       5.675000 0.3901000       5.438000      0.4026000      0.2367000      0.5606000
  1 1 1      -4   17   19 o    2.399000      0.5171000       2.015000 0.7414000       2.783000      0.7210000     -0.7678000       1.034000
  1 1 1      -4   17   20 o    5.052000      0.3312000       5.104000 0.4519000       4.999000      0.4844000      0.1050000      0.6625000
  1 1 1      -4   17   21 o    4.168000      0.5278000       4.168000 0.5278000                  ?              ?              ?              ?
  1 1 1      -4   17   22 o    3.451000      0.4888000       4.205000 0.5815000       2.697000      0.7857000       1.508000      0.9775000
  1 1 1      -4   17   23 o    2.669000      0.9214000                  ?       ?   2.669000      0.9214000                  ?              ?
  1 1 1      -4   17   24 o    7.001000      0.3967000       7.213000 0.5032000       6.789000      0.6134000      0.4244000      0.7933000
  1 1 1      -4   17   25 o    3.178000      0.5467000       4.089000 0.6634000       2.267000      0.8692000       1.823000       1.093000
  1 1 1      -4   17   26 o    2.665000      0.6243000       2.651000 0.8628000       2.680000      0.9025000     -0.2963000E-01   1.249000
  1 1 1      -4   17   27 o    3.093000      0.8206000       3.359000 1.238000       2.827000       1.077000      0.5318000       1.641000
  1 1 1      -4   17   28 o    2.571000      0.6347000       3.056000 0.9354000       2.086000      0.8580000      0.9702000       1.269000
  1 1 1      -4   17   29 o    2.642000      0.6476000       2.459000 0.9127000       2.824000      0.9190000     -0.3652000       1.295000
  1 1 1      -4   17   30 o    2.645000      0.6644000       2.535000 0.9237000       2.755000      0.9552000     -0.2196000       1.329000
  1 1 1      -4   17   31 o    2.495000      0.5977000       3.171000 0.8837000       1.820000      0.8051000       1.351000       1.195000
  1 1 1      -4   18    1 o    6.089000      0.3337000       5.453000 0.4892000       6.726000      0.4539000      -1.273000      0.6674000
  1 1 1      -4   18    2 o    4.157000      0.3882000       4.006000 0.5534000       4.307000      0.5445000     -0.3007000      0.7764000
  1 1 1      -4   18    3 o    2.650000      0.5275000       2.598000 0.7768000       2.702000      0.7139000     -0.1042000       1.055000
  1 1 1      -4   18    4 o    1.742000      0.4799000       1.448000 0.6544000       2.036000      0.7022000     -0.5872000      0.9599000
  1 1 1      -4   18    5 o    4.232000      0.3549000       4.482000 0.5149000       3.982000      0.4885000      0.5000000      0.7098000
  1 1 1      -4   18    6 o    1.880000      0.4587000       2.489000 0.7197000       1.271000      0.5687000       1.218000      0.9173000
  1 1 1      -4   18    7 o    3.057000      0.4415000       3.129000 0.6708000       2.985000      0.5742000      0.1439000      0.8829000
  1 1 1      -4   18    8 o    2.743000      0.4328000       2.215000 0.7083000       3.271000      0.4975000      -1.056000      0.8655000
  1 1 1      -4   18    9 o    8.997000      0.2172000       9.194000 0.3233000       8.800000      0.2901000      0.3940000      0.4344000
  1 1 1      -4   18   10 o    7.573000      0.2275000       7.541000 0.3356000       7.605000      0.3072000     -0.6320000E-01  0.4550000
  1 1 1      -4   18   11 o    1.546000      0.4554000       1.708000 0.6857000       1.385000      0.5996000      0.3233000      0.9108000
  1 1 1      -4   18   12 o    8.734000      0.2151000       8.834000 0.3123000       8.634000      0.2960000      0.1994000      0.4302000
  1 1 1      -4   18   13 o    5.781000      0.2631000       5.699000 0.3967000       5.863000      0.3458000     -0.1639000      0.5263000
  1 1 1      -4   18   14 o    4.358000      0.3418000       4.095000 0.5317000       4.622000      0.4297000     -0.5276000      0.6836000
  1 1 1      -4   18   15 o    4.649000      0.3098000       5.117000 0.4188000       4.180000      0.4567000      0.9370000      0.6196000
  1 1 1      -4   18   16 o    10.22000      0.2248000       9.896000 0.3227000       10.55000      0.3131000     -0.6550000      0.4497000
  1 1 1      -4   18   17 f    4.339000      0.3458000       4.580000 0.4729000       4.098000      0.5047000      0.4821000      0.6916000
  1 1 1      -4   18   18 o    3.594000      0.4097000       3.168000 0.6354000       4.019000      0.5173000     -0.8511000      0.8194000
  1 1 1      -4   18   19 o    5.860000      0.2927000       5.547000 0.4341000       6.173000      0.3928000     -0.6265000      0.5854000
  1 1 1      -4   18   20 o    3.129000      0.5084000       3.207000 0.7022000       3.052000      0.7353000      0.1556000       1.017000
  1 1 1      -4   18   21 f    5.728000      0.5103000       5.728000 0.5103000                  ?              ?              ?              ?
  1 1 1      -4   18   22 o    4.747000      0.4936000       5.074000 0.6072000       4.420000      0.7785000      0.6531000      0.9872000
  1 1 1      -4   18   23 o    3.058000      0.8222000                  ?       ?   3.058000      0.8222000                  ?              ?
  1 1 1      -4   18   24 f    6.476000      0.3422000       6.415000 0.4961000       6.536000      0.4715000     -0.1207000      0.6844000
  1 1 1      -4   18   25 o    2.997000      0.7859000       3.814000 1.248000       2.179000      0.9551000       1.635000       1.572000
  1 1 1      -4   18   26 o    3.074000      0.6936000       2.893000 0.9027000       3.255000       1.053000     -0.3619000       1.387000
  1 1 1      -4   18   27 o    4.298000      0.5305000       4.339000 0.7853000       4.257000      0.7135000      0.8255000E-01   1.061000
  1 1 1      -4   18   28 f    2.168000      0.6197000       2.499000 0.9433000       1.836000      0.8038000      0.6626000       1.239000
  1 1 1      -4   18   29 o    3.284000      0.6187000       2.944000 0.9220000       3.624000      0.8252000     -0.6799000       1.237000
  1 1 1      -4   18   30 o    1.819000      0.5723000       1.701000 0.7788000       1.937000      0.8388000     -0.2356000       1.145000
  1 1 1      -4   19    1 o    5.552000      0.3779000       6.041000 0.5050000       5.063000      0.5624000      0.9787000      0.7558000
  1 1 1      -4   19    2 o    3.885000      0.4497000       3.307000 0.7179000       4.463000      0.5420000      -1.156000      0.8995000
  1 1 1      -4   19    3 o    5.748000      0.2950000       5.916000 0.4248000       5.580000      0.4095000      0.3360000      0.5901000
  1 1 1      -4   19    4 o    3.119000      0.5082000       2.670000 0.8043000       3.567000      0.6213000     -0.8967000       1.016000
  1 1 1      -4   19    5 o    3.253000      0.4667000       2.453000 0.7871000       4.052000      0.5017000      -1.598000      0.9334000
  1 1 1      -4   19    6 o    1.807000      0.5073000       2.183000 0.7953000       1.432000      0.6299000      0.7512000       1.015000
  1 1 1      -4   19    7 o    5.605000      0.2882000       5.856000 0.4323000       5.354000      0.3812000      0.5026000      0.5763000
  1 1 1      -4   19    8 o    5.529000      0.2648000       5.251000 0.4207000       5.807000      0.3218000     -0.5562000      0.5297000
  1 1 1      -4   19    9 o    2.319000      0.5069000       2.191000 0.7480000       2.447000      0.6843000     -0.2562000       1.014000
  1 1 1      -4   19   10 o    6.619000      0.2523000       6.974000 0.3816000       6.264000      0.3302000      0.7105000      0.5046000
  1 1 1      -4   19   11 o    6.833000      0.2553000       6.994000 0.3687000       6.672000      0.3532000      0.3226000      0.5106000
  1 1 1      -4   19   12 o    9.359000      0.2220000       9.070000 0.3260000       9.648000      0.3015000     -0.5776000      0.4440000
  1 1 1      -4   19   13 o    5.897000      0.2636000       5.946000 0.3817000       5.847000      0.3636000      0.9922000E-01  0.5271000
  1 1 1      -4   19   14 o    2.121000      0.4869000       1.556000 0.6735000       2.685000      0.7034000      -1.129000      0.9738000
  1 1 1      -4   19   15 o    2.900000      0.5011000       2.874000 0.7479000       2.925000      0.6670000     -0.5029000E-01   1.002000
  1 1 1      -4   19   16 o    6.774000      0.2711000       6.303000 0.4108000       7.245000      0.3541000     -0.9414000      0.5423000
  1 1 1      -4   19   17 o    6.120000      0.2835000       6.028000 0.4141000       6.211000      0.3875000     -0.1832000      0.5671000
  1 1 1      -4   19   18 o    6.478000      0.3209000       6.119000 0.4126000       6.838000      0.4917000     -0.7193000      0.6419000
  1 1 1      -4   19   19 o    6.346000      0.3602000       6.685000 0.4542000       6.008000      0.5592000      0.6765000      0.7204000
  1 1 1      -4   19   20 o    1.717000      0.5190000       1.538000 0.6993000       1.896000      0.7670000     -0.3587000       1.038000
  1 1 1      -4   19   21 o    1.844000      0.5375000       2.131000 0.8130000       1.556000      0.7035000      0.5749000       1.075000
  1 1 1      -4   19   22 f    4.693000      0.3978000       5.183000 0.4731000       4.202000      0.6396000      0.9809000      0.7956000
  1 1 1      -4   19   23 f    6.770000      0.5359000       6.715000 0.8141000       6.826000      0.6970000     -0.1113000       1.072000
  1 1 1      -4   19   24 o    2.006000      0.5461000       1.428000 0.6810000       2.585000      0.8538000      -1.157000       1.092000
  1 1 1      -4   19   25 o    2.168000      0.6137000       2.181000 0.8778000       2.155000      0.8579000      0.2600000E-01   1.227000
  1 1 1      -4   19   26 o    3.157000      0.6275000       3.239000 0.8879000       3.076000      0.8870000      0.1631000       1.255000
  1 1 1      -4   19   27 o    3.864000      0.6069000       4.131000 0.8563000       3.596000      0.8604000      0.5345000       1.214000
  1 1 1      -4   19   28 o    3.905000      0.5913000       4.043000 0.8542000       3.767000      0.8177000      0.2755000       1.183000
  1 1 1      -4   19   29 o    3.810000      0.5980000       4.375000 0.7637000       3.246000      0.9205000       1.130000       1.196000
  1 1 1      -4   20    1 f    3.177000      0.5683000       3.871000 0.7539000       2.484000      0.8506000       1.387000       1.137000
  1 1 1      -4   20    2 o    5.730000      0.3752000       5.815000 0.5195000       5.644000      0.5415000      0.1713000      0.7504000
  1 1 1      -4   20    3 o    6.194000      0.3162000       6.098000 0.4804000       6.291000      0.4113000     -0.1931000      0.6324000
  1 1 1      -4   20    4 f    3.735000      0.4206000       4.012000 0.5782000       3.459000      0.6109000      0.5524000      0.8411000
  1 1 1      -4   20    5 o    2.708000      0.5171000       3.573000 0.7310000       1.843000      0.7316000       1.729000       1.034000
  1 1 1      -4   20    6 o    4.559000      0.3787000       4.571000 0.5820000       4.547000      0.4848000      0.2349000E-01  0.7575000
  1 1 1      -4   20    7 o    5.055000      0.3621000       4.784000 0.5866000       5.325000      0.4246000     -0.5412000      0.7241000
  1 1 1      -4   20    8 o    3.932000      0.3814000       4.153000 0.5779000       3.710000      0.4978000      0.4436000      0.7628000
  1 1 1      -4   20    9 o    3.625000      0.4176000       3.944000 0.5998000       3.306000      0.5811000      0.6379000      0.8351000
  1 1 1      -4   20   10 o    7.763000      0.2502000       7.674000 0.3715000       7.851000      0.3351000     -0.1774000      0.5003000
  1 1 1      -4   20   11 o    1.701000      0.4982000       1.762000 0.7351000       1.640000      0.6726000      0.1214000      0.9964000
  1 1 1      -4   20   12 o    2.296000      0.5543000       2.271000 0.8012000       2.322000      0.7661000     -0.5061000E-01   1.109000
  1 1 1      -4   20   13 o    2.655000      0.5222000       2.629000 0.7887000       2.680000      0.6847000     -0.5160000E-01   1.044000
  1 1 1      -4   20   14 o    2.092000      0.5267000       1.888000 0.7638000       2.296000      0.7254000     -0.4083000       1.053000
  1 1 1      -4   20   15 o    3.301000      0.4735000       2.991000 0.7404000       3.610000      0.5904000     -0.6191000      0.9470000
  1 1 1      -4   20   16 o    4.433000      0.4779000       4.644000 0.6540000       4.222000      0.6969000      0.4216000      0.9557000
  1 1 1      -4   20   17 o    2.712000      0.6416000       2.554000 0.9076000       2.870000      0.9070000     -0.3160000       1.283000
  1 1 1      -4   20   18 o    3.912000      0.4471000       3.612000 0.7058000       4.212000      0.5490000     -0.6000000      0.8942000
  1 1 1      -4   20   19 o    3.847000      0.4753000       3.690000 0.7163000       4.004000      0.6249000     -0.3141000      0.9505000
  1 1 1      -4   20   20 o    2.567000      0.7345000       2.370000 1.062000       2.764000       1.015000     -0.3939000       1.469000
  1 1 1      -4   20   21 o    3.580000      0.8214000       3.998000 1.250000       3.162000       1.066000      0.8362000       1.643000
  1 1 1      -4   20   22 o    3.207000      0.5716000       3.285000 0.8079000       3.129000      0.8088000      0.1565000       1.143000
  1 1 1      -4   20   23 o    2.075000      0.5999000       2.130000 0.8694000       2.021000      0.8268000      0.1092000       1.200000
  1 1 1      -4   20   24 o    1.814000      0.5621000       1.730000 0.7803000       1.898000      0.8093000     -0.1677000       1.124000
  1 1 1      -4   20   25 o    4.862000      0.4603000       4.497000 0.7084000       5.226000      0.5879000     -0.7284000      0.9206000
  1 1 1      -4   20   26 o    2.665000      0.6639000       2.712000 0.9517000       2.617000      0.9260000      0.9498000E-01   1.328000
  1 1 1      -4   20   27 o    3.958000      0.5920000       3.554000 0.9293000       4.361000      0.7338000     -0.8063000       1.184000
  1 1 1      -4   20   28 o    3.152000      0.6722000       3.258000 0.9765000       3.046000      0.9241000      0.2123000       1.344000
  1 1 1      -4   20   29 o    2.331000      0.6447000       2.590000 0.9467000       2.072000      0.8755000      0.5181000       1.289000
  1 1 1      -4   21    1 o    1.954000      0.5983000       2.012000 0.8531000       1.895000      0.8391000      0.1175000       1.197000
  1 1 1      -4   21    2 o    2.228000      0.6194000       2.494000 0.9230000       1.962000      0.8264000      0.5321000       1.239000
  1 1 1      -4   21    3 o    2.133000      0.5687000       2.452000 0.8468000       1.815000      0.7594000      0.6365000       1.137000
  1 1 1      -4   21    4 o    7.343000      0.2983000       7.073000 0.4475000       7.612000      0.3946000     -0.5387000      0.5967000
  1 1 1      -4   21    5 o    6.145000      0.3402000       6.263000 0.5033000       6.026000      0.4578000      0.2370000      0.6804000
  1 1 1      -4   21    6 o    3.229000      0.5310000       2.720000 0.8608000       3.739000      0.6220000      -1.019000       1.062000
  1 1 1      -4   21    7 o    5.203000      0.3872000       4.937000 0.6093000       5.470000      0.4780000     -0.5330000      0.7744000
  1 1 1      -4   21    8 o    9.277000      0.2662000       8.837000 0.4077000       9.718000      0.3423000     -0.8808000      0.5323000
  1 1 1      -4   21    9 o    2.739000      0.5403000       2.523000 0.8339000       2.955000      0.6872000     -0.4323000       1.081000
  1 1 1      -4   21   10 o    7.111000      0.2782000       6.842000 0.4242000       7.379000      0.3601000     -0.5379000      0.5564000
  1 1 1      -4   21   11 o    3.881000      0.4336000       3.735000 0.7052000       4.027000      0.5048000     -0.2923000      0.8672000
  1 1 1      -4   21   12 o    6.047000      0.3200000       6.158000 0.4865000       5.937000      0.4158000      0.2212000      0.6400000
  1 1 1      -4   21   13 o    5.280000      0.5719000       5.610000 0.8030000       4.950000      0.8146000      0.6597000       1.144000
  1 1 1      -4   21   14 o    3.842000      0.6147000       3.851000 0.8680000       3.833000      0.8706000      0.1778000E-01   1.229000
  1 1 1      -4   21   15 o    7.731000      0.2604000       7.367000 0.3805000       8.096000      0.3555000     -0.7288000      0.5207000
  1 1 1      -4   21   16 o    5.992000      0.3127000       5.652000 0.4849000       6.331000      0.3950000     -0.6789000      0.6254000
  1 1 1      -4   21   17 o    1.779000      0.5323000       1.578000 0.7163000       1.980000      0.7877000     -0.4014000       1.065000
  1 1 1      -4   21   18 o    3.564000      0.7090000       2.837000 1.133000       4.290000      0.8530000      -1.453000       1.418000
  1 1 1      -4   21   19 o    2.713000      0.7261000       3.638000 1.191000       1.788000      0.8304000       1.851000       1.452000
  1 1 1      -4   21   20 o    2.511000      0.6124000       2.700000 0.8873000       2.321000      0.8442000      0.3788000       1.225000
  1 1 1      -4   21   21 f    4.399000      0.4742000       4.833000 0.6437000       3.965000      0.6966000      0.8683000      0.9485000
  1 1 1      -4   21   22 o    3.393000      0.5586000       4.213000 0.7047000       2.574000      0.8669000       1.638000       1.117000
  1 1 1      -4   21   23 o    3.345000      0.5851000       3.487000 0.8058000       3.202000      0.8485000      0.2847000       1.170000
  1 1 1      -4   21   24 o    5.153000      0.4594000       4.622000 0.7251000       5.685000      0.5642000      -1.063000      0.9188000
  1 1 1      -4   21   25 o    5.900000      0.4004000       6.160000 0.5541000       5.640000      0.5782000      0.5203000      0.8008000
  1 1 1      -4   21   26 o    2.640000      0.6564000       2.662000 0.9332000       2.617000      0.9233000      0.4510000E-01   1.313000
  1 1 1      -4   21   27 o    1.851000      0.5822000       1.602000 0.7576000       2.100000      0.8841000     -0.4976000       1.164000
  1 1 1      -4   21   28 o    2.506000      0.6994000       2.156000 0.9869000       2.856000      0.9913000     -0.7001000       1.399000
  1 1 1      -4   22    1 o    2.238000      0.6500000       2.606000 0.9789000       1.871000      0.8554000      0.7342000       1.300000
  1 1 1      -4   22    2 o    4.557000      0.5771000       4.500000 0.8295000       4.615000      0.8027000     -0.1144000       1.154000
  1 1 1      -4   22    3 o    4.855000      0.4539000       5.012000 0.6605000       4.699000      0.6227000      0.3132000      0.9078000
  1 1 1      -4   22    4 o    3.095000      0.6070000       3.180000 0.8998000       3.009000      0.8148000      0.1707000       1.214000
  1 1 1      -4   22    5 o    8.676000      0.3112000       8.818000 0.4702000       8.535000      0.4079000      0.2833000      0.6224000
  1 1 1      -4   22    6 o    14.22000      0.3439000       14.40000 0.4988000       14.05000      0.4737000      0.3472000      0.6879000
  1 1 1      -4   22    7 o    10.55000      0.2846000       10.50000 0.4321000       10.60000      0.3706000     -0.9740000E-01  0.5693000
  1 1 1      -4   22    8 o    6.476000      0.3365000       6.099000 0.5418000       6.853000      0.3992000     -0.7538000      0.6729000
  1 1 1      -4   22    9 o    7.064000      0.4605000       6.729000 0.4746000       7.399000      0.7893000     -0.6700000      0.9210000
  1 1 1      -4   22   10 o    4.213000      0.7325000       4.924000 0.9871000       3.502000       1.083000       1.423000       1.465000
  1 1 1      -4   22   11 o    2.605000      0.7104000       2.211000 0.9681000       2.998000       1.040000     -0.7869000       1.421000
  1 1 1      -4   22   12 o    3.435000      0.5374000       3.422000 0.8231000       3.448000      0.6912000     -0.2541000E-01   1.075000
  1 1 1      -4   22   13 o    4.749000      0.4221000       4.872000 0.6503000       4.625000      0.5384000      0.2470000      0.8443000
  1 1 1      -4   22   14 o    2.928000      0.6077000       3.190000 0.8854000       2.666000      0.8327000      0.5238000       1.215000
  1 1 1      -4   22   15 o    2.700000      0.7044000       2.647000 1.041000       2.753000      0.9490000     -0.1069000       1.409000
  1 1 1      -4   22   16 o    5.892000      0.5186000       6.327000 0.8274000       5.457000      0.6255000      0.8705000       1.037000
  1 1 1      -4   22   17 o    5.838000      0.3485000       5.755000 0.5370000       5.922000      0.4445000     -0.1663000      0.6971000
  1 1 1      -4   22   18 o    2.849000      0.5738000       2.431000 0.8659000       3.267000      0.7531000     -0.8356000       1.148000
  1 1 1      -4   22   19 f    4.859000      0.4278000       4.416000 0.6787000       5.302000      0.5211000     -0.8859000      0.8557000
  1 1 1      -4   22   20 o    2.026000      0.5933000       1.877000 0.8227000       2.175000      0.8552000     -0.2977000       1.187000
  1 1 1      -4   22   21 o    2.006000      0.5831000       1.752000 0.7854000       2.261000      0.8622000     -0.5092000       1.166000
  1 1 1      -4   22   22 f    3.846000      0.8473000       3.846000 0.8473000                  ?              ?              ?              ?
  1 1 1      -4   22   23 o    6.763000      0.3639000       6.827000 0.5252000       6.698000      0.5040000      0.1289000      0.7279000
  1 1 1      -4   22   24 o    4.397000      0.7172000                  ?       ?   4.397000      0.7172000                  ?              ?
  1 1 1      -4   22   25 o    2.453000      0.6241000       3.035000 0.9500000       1.871000      0.8096000       1.164000       1.248000
  1 1 1      -4   22   26 o    2.815000      0.6785000       3.070000 0.9655000       2.561000      0.9536000      0.5096000       1.357000
  1 1 1      -4   22   27 o    3.482000       1.236000       3.482000 1.236000                  ?              ?              ?              ?
  1 1 1      -4   23    1 o    7.813000      0.4637000       7.545000 0.6680000       8.081000      0.6433000     -0.5358000      0.9274000
  1 1 1      -4   23    2 o    6.530000      0.4554000       5.965000 0.6705000       7.096000      0.6164000      -1.131000      0.9108000
  1 1 1      -4   23    3 o    3.876000      0.5772000       3.787000 0.8535000       3.965000      0.7772000     -0.1783000       1.154000
  1 1 1      -4   23    4 o    8.937000      0.7624000       8.598000 0.5015000       9.276000       1.440000     -0.6780000       1.525000
  1 1 1      -4   23    5 o    8.259000      0.6590000       7.426000 0.4329000       9.091000       1.245000      -1.665000       1.318000
  1 1 1      -4   23    6 o    5.031000      0.9947000       5.440000 1.325000       4.622000       1.484000      0.8177000       1.989000
  1 1 1      -4   23    7 o    6.554000      0.9123000       5.043000 1.576000       8.066000      0.9196000      -3.023000       1.825000
  1 1 1      -4   23    8 o    4.330000      0.8646000       4.775000 1.609000       3.884000      0.6340000      0.8909000       1.729000
  1 1 1      -4   23    9 o    2.679000      0.6328000       3.192000 0.9443000       2.167000      0.8425000       1.024000       1.266000
  1 1 1      -4   23   10 o    1.421000      0.4817000       1.397000 0.6815000       1.445000      0.6809000     -0.4805000E-01  0.9633000
  1 1 1      -4   23   11 o    3.988000      0.4872000       2.877000 0.8524000       5.099000      0.4723000      -2.222000      0.9745000
  1 1 1      -4   23   12 o    7.702000      0.3873000       7.157000 0.6167000       8.247000      0.4688000      -1.090000      0.7747000
  1 1 1      -4   23   13 o    1.853000      0.5808000       1.715000 0.8134000       1.990000      0.8294000     -0.2750000       1.162000
  1 1 1      -4   23   14 o    3.823000      0.5611000       3.607000 0.9022000       4.039000      0.6673000     -0.4324000       1.122000
  1 1 1      -4   23   15 o    5.343000      0.4175000       5.347000 0.6381000       5.340000      0.5386000      0.7509000E-02  0.8350000
  1 1 1      -4   23   16 o    4.189000      0.5333000       4.214000 0.8043000       4.165000      0.7006000      0.4934000E-01   1.067000
  1 1 1      -4   23   17 o    3.802000      0.5647000       3.981000 0.8202000       3.624000      0.7763000      0.3574000       1.129000
  1 1 1      -4   23   18 o    3.720000      0.5492000       3.616000 0.8250000       3.824000      0.7252000     -0.2077000       1.098000
  1 1 1      -4   23   19 o    3.429000      0.5804000       4.062000 0.7773000       2.797000      0.8622000       1.264000       1.161000
  1 1 1      -4   23   20 o    1.761000      0.5532000       1.789000 0.7980000       1.733000      0.7664000      0.5586000E-01   1.106000
  1 1 1      -4   23   21 o    1.599000      0.5279000       1.525000 0.7259000       1.673000      0.7668000     -0.1480000       1.056000
  1 1 1      -4   23   22 o    3.967000      0.8935000       3.967000 0.8935000                  ?              ?              ?              ?
  1 1 1      -4   23   23 o    2.588000      0.6636000       2.298000 0.9490000       2.877000      0.9278000     -0.5796000       1.327000
  1 1 1      -4   23   24 o    3.400000      0.9306000                  ?       ?   3.400000      0.9306000                  ?              ?
  1 1 1      -4   23   25 o    2.828000      0.7070000       2.851000 1.014000       2.805000      0.9856000      0.4586000E-01   1.414000
  1 1 1      -4   24    1 o    3.787000       1.129000       3.485000 1.419000       4.090000       1.757000     -0.6045000       2.259000
  1 1 1      -4   24    2 o    3.759000       1.088000       2.706000 1.197000       4.812000       1.817000      -2.106000       2.175000
  1 1 1      -4   24    3 o    4.138000       1.163000       3.554000 1.372000       4.723000       1.879000      -1.169000       2.327000
  1 1 1      -4   24    4 o    3.548000      0.6038000       4.082000 0.7716000       3.013000      0.9291000       1.069000       1.208000
  1 1 1      -4   24    5 o    2.646000      0.6430000       2.698000 0.9326000       2.594000      0.8855000      0.1042000       1.286000
  1 1 1      -4   24    6 f    2.368000      0.6326000       2.656000 0.9509000       2.079000      0.8344000      0.5775000       1.265000
  1 1 1      -4   24    7 o    4.546000      0.5354000       4.583000 0.7996000       4.509000      0.7122000      0.7408000E-01   1.071000
  1 1 1      -4   24    8 o    4.121000      0.6130000       4.451000 0.8636000       3.792000      0.8701000      0.6585000       1.226000
  1 1 1      -4   24    9 o    2.216000      0.5994000       1.867000 0.8426000       2.565000      0.8527000     -0.6986000       1.199000
  1 1 1      -4   24   10 o    4.271000      0.5808000       3.929000 0.9775000       4.613000      0.6276000     -0.6836000       1.162000
  1 1 1      -4   24   11 o    5.284000      0.4211000       5.292000 0.6636000       5.277000      0.5187000      0.1529000E-01  0.8423000
  1 1 1      -4   24   12 o    1.706000      0.5270000       1.472000 0.7059000       1.940000      0.7828000     -0.4678000       1.054000
  1 1 1      -4   24   13 o    2.222000      0.6119000       2.113000 0.8926000       2.330000      0.8374000     -0.2170000       1.224000
  1 1 1      -4   24   14 o    2.635000      0.6509000       3.010000 0.9923000       2.261000      0.8427000      0.7489000       1.302000
  1 1 1      -4   24   15 o    5.974000      0.4219000       5.466000 0.6869000       6.482000      0.4901000      -1.017000      0.8438000
  1 1 1      -4   24   16 o    7.488000      0.3516000       7.684000 0.5224000       7.293000      0.4708000      0.3916000      0.7032000
  1 1 1      -4   24   17 o    2.408000      0.6573000       2.229000 0.9307000       2.587000      0.9286000     -0.3582000       1.315000
  1 1 1      -4   24   18 o    3.640000      0.6257000       3.734000 0.9140000       3.545000      0.8549000      0.1891000       1.251000
  1 1 1      -4   24   19 o    4.616000      0.5196000       4.597000 0.7787000       4.634000      0.6883000     -0.3768000E-01   1.039000
  1 1 1      -4   24   20 o    2.307000      0.6529000       2.443000 0.9570000       2.171000      0.8885000      0.2712000       1.306000
  1 1 1      -4   24   21 o    3.049000      0.6683000       2.557000 0.9624000       3.541000      0.9274000     -0.9839000       1.337000
  1 1 1      -4   24   22 o    1.968000      0.6197000       2.035000 0.9047000       1.902000      0.8471000      0.1328000       1.239000
  1 1 1      -4   24   23 o    3.767000      0.6731000       4.113000 0.9589000       3.420000      0.9450000      0.6934000       1.346000
  1 1 1      -4   24   24 o    2.233000      0.6640000       2.338000 0.9715000       2.128000      0.9055000      0.2093000       1.328000
  1 1 1      -4   25    1 f    7.520000      0.4839000       8.039000 0.6473000       7.002000      0.7195000       1.038000      0.9678000
  1 1 1      -4   25    2 o    8.564000      0.4423000       7.732000 0.6828000       9.396000      0.5624000      -1.664000      0.8846000
  1 1 1      -4   25    3 o    5.183000      0.5546000       5.555000 0.7726000       4.811000      0.7958000      0.7437000       1.109000
  1 1 1      -4   25    4 o    3.553000      0.6891000       4.037000 0.9601000       3.068000      0.9888000      0.9697000       1.378000
  1 1 1      -4   25    5 o    4.145000      0.6111000       3.153000 1.018000       5.138000      0.6758000      -1.985000       1.222000
  1 1 1      -4   25    6 o    7.497000      0.3828000       7.836000 0.5338000       7.157000      0.5489000      0.6787000      0.7656000
  1 1 1      -4   25    7 o    2.285000      0.6245000       2.035000 0.8682000       2.534000      0.8980000     -0.4989000       1.249000
  1 1 1      -4   25    8 o    2.513000      0.6321000       2.330000 0.9034000       2.697000      0.8843000     -0.3670000       1.264000
  1 1 1      -4   25    9 o    2.882000      0.6261000       3.278000 0.9092000       2.487000      0.8610000      0.7914000       1.252000
  1 1 1      -4   25   10 o    4.058000      0.5488000       5.207000 0.6916000       2.909000      0.8522000       2.297000       1.098000
  1 1 1      -4   25   11 o    4.791000      0.4898000       5.287000 0.7077000       4.296000      0.6773000      0.9914000      0.9795000
  1 1 1      -4   25   12 o    3.688000      0.6287000       4.397000 0.8963000       2.979000      0.8820000       1.418000       1.257000
  1 1 1      -4   25   13 o    4.428000      0.5577000       4.702000 0.8228000       4.154000      0.7530000      0.5482000       1.115000
  1 1 1      -4   25   14 o    3.572000      0.6592000       3.331000 1.016000       3.813000      0.8400000     -0.4816000       1.318000
  1 1 1      -4   25   15 o    2.002000      0.6051000       2.427000 0.9587000       1.577000      0.7385000      0.8493000       1.210000
  1 1 1      -4   25   16 o    4.461000      0.5893000       4.476000 0.8853000       4.447000      0.7779000      0.2854000E-01   1.179000
  1 1 1      -4   25   17 o    4.457000      0.5976000       4.658000 0.8667000       4.255000      0.8230000      0.4035000       1.195000
  1 1 1      -4   25   18 o    2.531000      0.6767000       2.289000 0.9767000       2.773000      0.9368000     -0.4846000       1.353000
  1 1 1      -4   25   19 o    2.484000      0.6849000       2.402000 0.9979000       2.565000      0.9385000     -0.1629000       1.370000
  1 1 1      -4   25   20 o    2.868000      0.6995000       2.655000 1.017000       3.081000      0.9605000     -0.4259000       1.399000
  1 1 1      -4   25   21 o    2.023000      0.6329000       2.070000 0.9137000       1.976000      0.8759000      0.9315000E-01   1.266000
  1 1 1      -4   25   22 o    3.709000      0.6918000       4.053000 0.9286000       3.364000       1.026000      0.6886000       1.384000
  1 1 1      -4   25   23 o    3.369000       1.249000       3.369000 1.249000                  ?              ?              ?              ?
  1 1 1      -4   26    1 o    3.023000      0.7516000       3.190000 1.000000       2.856000       1.122000      0.3333000       1.503000
  1 1 1      -4   26    2 o    4.416000      0.7084000       4.874000 0.9920000       3.958000       1.011000      0.9151000       1.417000
  1 1 1      -4   26    3 o    2.838000      0.6953000       3.310000 1.005000       2.365000      0.9615000      0.9452000       1.391000
  1 1 1      -4   26    4 o    1.978000      0.6184000       1.928000 0.8687000       2.027000      0.8804000     -0.9928000E-01   1.237000
  1 1 1      -4   26    5 o    5.757000      0.4769000       5.517000 0.7291000       5.997000      0.6148000     -0.4793000      0.9537000
  1 1 1      -4   26    6 o    5.644000      0.4863000       5.243000 0.7589000       6.046000      0.6084000     -0.8033000      0.9727000
  1 1 1      -4   26    7 o    3.984000      0.6517000       4.239000 0.9191000       3.729000      0.9241000      0.5099000       1.303000
  1 1 1      -4   26    8 o    2.850000      0.6964000       3.046000 1.029000       2.654000      0.9385000      0.3917000       1.393000
  1 1 1      -4   26    9 o    3.889000      0.6413000       3.975000 0.9604000       3.803000      0.8501000      0.1717000       1.283000
  1 1 1      -4   26   10 o    2.158000      0.6438000       2.287000 0.9559000       2.029000      0.8626000      0.2575000       1.288000
  1 1 1      -4   26   11 o    2.058000      0.6097000       1.578000 0.7650000       2.538000      0.9496000     -0.9598000       1.219000
  1 1 1      -4   26   12 o    3.707000      0.6889000       3.666000 1.050000       3.747000      0.8920000     -0.8110000E-01   1.378000
  1 1 1      -4   26   13 o    3.081000      0.6946000       2.675000 1.018000       3.488000      0.9452000     -0.8132000       1.389000
  1 1 1      -4   26   14 o    2.851000      0.6909000       2.339000 0.9790000       3.363000      0.9752000      -1.024000       1.382000
  1 1 1      -4   26   15 o    2.109000      0.6460000       1.981000 0.9024000       2.236000      0.9246000     -0.2551000       1.292000
  1 1 1      -4   26   16 o    3.707000      0.6834000       3.068000 1.077000       4.346000      0.8417000      -1.279000       1.367000
  1 1 1      -4   26   17 o    2.513000      0.6943000       2.404000 0.9970000       2.622000      0.9665000     -0.2177000       1.389000
  1 1 1      -4   26   18 o    4.315000      0.6717000       3.855000 1.079000       4.776000      0.8005000     -0.9212000       1.343000
  1 1 1      -4   26   19 o    2.440000      0.6845000       2.064000 0.9370000       2.816000      0.9980000     -0.7521000       1.369000
  1 1 1      -4   26   20 o    3.300000      0.7274000       3.794000 1.068000       2.806000      0.9877000      0.9886000       1.455000
  1 1 1      -4   26   21 o    3.973000      0.6415000       2.767000 1.044000       5.179000      0.7465000      -2.411000       1.283000
  1 1 1      -4   27    1 o    3.576000      0.8052000       3.640000 1.123000       3.512000       1.154000      0.1282000       1.610000
  1 1 1      -4   27    2 o    2.778000      0.7081000       1.919000 0.8962000       3.637000       1.097000      -1.718000       1.416000
  1 1 1      -4   27    3 o    4.247000      0.6615000       2.839000 1.105000       5.655000      0.7281000      -2.816000       1.323000
  1 1 1      -4   27    4 o    1.881000      0.5871000       2.462000 0.9802000       1.301000      0.6465000       1.161000       1.174000
  1 1 1      -4   27    5 o    2.350000      0.6359000       1.795000 0.8307000       2.905000      0.9630000      -1.109000       1.272000
  1 1 1      -4   27    6 o    2.564000      0.6715000       2.161000 0.9322000       2.966000      0.9669000     -0.8048000       1.343000
  1 1 1      -4   27    7 o    5.970000      0.4798000       5.438000 0.7560000       6.502000      0.5911000      -1.064000      0.9596000
  1 1 1      -4   27    8 o    3.412000      0.6748000       3.995000 0.9431000       2.829000      0.9653000       1.166000       1.350000
  1 1 1      -4   27    9 o    2.295000      0.6380000       1.917000 0.8680000       2.674000      0.9354000     -0.7575000       1.276000
  1 1 1      -4   27   10 o    2.464000      0.6610000       2.200000 0.9483000       2.728000      0.9210000     -0.5285000       1.322000
  1 1 1      -4   27   11 o    2.962000      0.6891000       3.303000 1.037000       2.622000      0.9083000      0.6816000       1.378000
  1 1 1      -4   27   12 o    2.450000      0.6717000       2.546000 0.9958000       2.353000      0.9018000      0.1926000       1.343000
  1 1 1      -4   27   13 o    3.152000      0.6943000       2.673000 1.059000       3.632000      0.8983000     -0.9592000       1.389000
  1 1 1      -4   27   14 o    2.226000      0.6577000       1.974000 0.8964000       2.477000      0.9627000     -0.5024000       1.315000
  1 1 1      -4   27   15 o    4.356000      0.6631000       3.476000 1.103000       5.237000      0.7367000      -1.761000       1.326000
  1 1 1      -4   27   16 o    2.401000      0.6941000       2.256000 0.9796000       2.546000      0.9836000     -0.2896000       1.388000
  1 1 1      -4   27   17 o    3.156000      0.7563000       3.120000 1.101000       3.192000       1.037000     -0.7258000E-01   1.513000
  1 1 1      -4   27   18 o    2.715000      0.7427000       2.792000 1.079000       2.638000       1.020000      0.1539000       1.485000
  1 1 1      -4   27   19 o    2.816000      0.7333000       2.877000 1.082000       2.755000      0.9898000      0.1224000       1.467000
  1 1 1      -4   28    1 o    2.947000      0.8141000       2.805000 1.151000       3.088000       1.152000     -0.2832000       1.628000
  1 1 1      -4   28    2 o    2.683000      0.7638000       2.567000 1.075000       2.799000       1.085000     -0.2320000       1.528000
  1 1 1      -4   28    3 o    2.926000      0.7513000       2.911000 1.083000       2.940000       1.042000     -0.2861000E-01   1.503000
  1 1 1      -4   28    4 o    3.034000      0.7240000       3.546000 1.057000       2.522000      0.9897000       1.024000       1.448000
  1 1 1      -4   28    5 o    2.558000      0.6312000       3.680000 1.046000       1.436000      0.7060000       2.244000       1.262000
  1 1 1      -4   28    6 o    4.849000      0.5980000       3.499000 1.010000       6.200000      0.6404000      -2.700000       1.196000
  1 1 1      -4   28    7 o    3.094000      0.7114000       2.769000 1.023000       3.420000      0.9891000     -0.6511000       1.423000
  1 1 1      -4   28    8 o    2.377000      0.6766000       1.937000 0.8973000       2.816000       1.013000     -0.8791000       1.353000
  1 1 1      -4   28    9 o    3.712000      0.7196000       4.609000 0.9979000       2.814000       1.037000       1.796000       1.439000
  1 1 1      -4   28   10 o    3.040000      0.7163000       2.576000 1.027000       3.504000      0.9993000     -0.9278000       1.433000
  1 1 1      -4   28   11 o    2.123000      0.6617000       2.389000 1.012000       1.858000      0.8532000      0.5317000       1.323000
  1 1 1      -4   28   12 o    2.658000      0.7136000       2.437000 1.015000       2.880000       1.003000     -0.4434000       1.427000
  1 1 1      -4   28   13 o    4.520000      0.6555000       3.340000 1.111000       5.700000      0.6966000      -2.360000       1.311000
  1 1 1      -4   28   14 o    3.520000      0.7495000       3.378000 1.105000       3.662000       1.012000     -0.2842000       1.499000
  1 1 1      -4   28   15 o    2.791000      0.7439000       2.958000 1.096000       2.623000       1.006000      0.3341000       1.488000
  1 1 1      -4   28   16 o    3.015000      0.7409000       2.880000 1.088000       3.150000       1.006000     -0.2699000       1.482000
  1 1 1      -4   28   17 o    2.719000      0.7312000       3.282000 1.115000       2.157000      0.9457000       1.125000       1.462000
  1 1 1      -4   29    1 o    2.721000      0.7948000       2.761000 1.154000       2.680000       1.093000      0.8041000E-01   1.590000
  1 1 1      -4   29    2 o    3.328000      0.8041000       3.872000 1.172000       2.785000       1.101000       1.086000       1.608000
  1 1 1      -4   29    3 o    3.593000      0.7840000       3.101000 1.134000       4.085000       1.082000     -0.9841000       1.568000
  1 1 1      -4   29    4 o    2.090000      0.6822000       2.333000 1.048000       1.846000      0.8738000      0.4867000       1.364000
  1 1 1      -4   29    5 o    3.406000      0.7536000       3.115000 1.078000       3.697000       1.054000     -0.5822000       1.507000
  1 1 1      -4   29    6 o    2.677000      0.7551000       2.827000 1.097000       2.527000       1.038000      0.2998000       1.510000
  1 1 1      -4   29    7 o    3.363000      0.7991000       3.533000 1.156000       3.194000       1.104000      0.3389000       1.598000
  1 1 1      -4   29    8 o    2.423000      0.7272000       2.195000 0.9872000       2.651000       1.068000     -0.4564000       1.454000
  1 1 1      -4   29    9 o    3.889000      0.7281000       4.456000 1.033000       3.323000       1.026000       1.134000       1.456000
  1 1 1      -4   29   10 o    3.494000      0.7330000       4.355000 1.037000       2.634000       1.036000       1.721000       1.466000
  1 1 1      -4   29   11 o    3.782000      0.7121000       3.638000 1.076000       3.927000      0.9330000     -0.2885000       1.424000
  1 1 1      -4   29   12 o    4.061000      0.6850000       4.243000 0.9932000       3.880000      0.9436000      0.3636000       1.370000
  1 1 1      -4   29   13 f    4.146000      0.6918000       2.802000 1.101000       5.491000      0.8381000      -2.689000       1.384000
  1 1 1      -4   29   14 o    2.991000      0.6692000       1.776000 0.8557000       4.206000       1.029000      -2.429000       1.338000
  1 1 1      -4   29   15 o    4.975000       1.244000       4.975000 1.244000                  ?              ?              ?              ?
  1 1 1      -4   30    1 o    3.307000      0.8322000       3.899000 1.218000       2.715000       1.134000       1.184000       1.664000
  1 1 1      -4   30    2 o    3.032000      0.8153000       3.414000 1.203000       2.650000       1.101000      0.7636000       1.631000
  1 1 1      -4   30    3 o    2.058000      0.6753000       2.219000 1.004000       1.897000      0.9030000      0.3222000       1.351000
  1 1 1      -4   30    4 o    3.150000      0.7979000       3.554000 1.171000       2.746000       1.084000      0.8077000       1.596000
  1 1 1      -4   30    5 o    3.520000      0.8248000       3.799000 1.201000       3.241000       1.131000      0.5583000       1.650000
  1 1 1      -4   30    6 o    3.077000      0.7477000       2.068000 0.9600000       4.086000       1.146000      -2.018000       1.495000
  1 1 1      -4   30    7 o    2.804000      0.7632000       3.474000 1.182000       2.134000      0.9657000       1.340000       1.526000
  1 1 1      -4   30    8 o    2.461000      0.7252000       2.861000 1.101000       2.061000      0.9444000      0.8005000       1.450000
  1 1 1      -4   30    9 o    2.852000      0.7690000       2.674000 1.089000       3.030000       1.086000     -0.3554000       1.538000
  1 1 1      -4   30   10 o    3.250000      0.7661000       3.938000 1.129000       2.561000       1.036000       1.377000       1.532000
  1 1 1      -4   30   11 o    2.310000      0.7287000       2.096000 0.9715000       2.524000       1.086000     -0.4277000       1.457000
  1 1 1      -4   30   12 o    2.005000      0.9426000       2.005000 0.9426000                  ?              ?              ?              ?
  1 1 1      -4   31    1 o    3.278000      0.8255000       2.860000 1.153000       3.695000       1.182000     -0.8348000       1.651000
  1 1 1      -4   31    2 o    3.002000      0.8093000       2.674000 1.144000       3.330000       1.145000     -0.6560000       1.619000
  1 1 1      -4   31    3 o    3.656000      0.8234000       3.786000 1.190000       3.526000       1.138000      0.2592000       1.647000
  1 1 1      -4   31    4 o    2.782000      0.7877000       2.703000 1.119000       2.862000       1.109000     -0.1589000       1.575000
  1 1 1      -4   31    5 o    3.724000      0.8932000       4.304000 1.345000       3.144000       1.176000       1.160000       1.786000
  1 1 1      -4   31    6 o    2.688000      0.7769000       3.010000 1.155000       2.367000       1.039000      0.6431000       1.554000
  1 1 1      -4   31    7 o    2.687000      0.7437000       3.199000 1.130000       2.175000      0.9667000       1.024000       1.487000
  1 1 1      -3  -34    1 o    3.697000      0.8117000       3.096000 1.219000       4.298000       1.072000      -1.202000       1.623000
  1 1 1      -3  -34    2 o    4.135000      0.7892000       3.915000 1.210000       4.354000       1.013000     -0.4387000       1.578000
  1 1 1      -3  -34    3 o    2.906000      0.7680000       3.726000 1.212000       2.085000      0.9435000       1.642000       1.536000
  1 1 1      -3  -34    4 o    2.985000      0.8368000       2.791000 1.221000       3.180000       1.145000     -0.3887000       1.674000
  1 1 1      -3  -34    5 o    3.578000      0.7906000       3.077000 1.199000       4.080000       1.031000      -1.003000       1.581000
  1 1 1      -3  -34    6 o    3.063000      0.8078000       3.596000 1.233000       2.531000       1.044000       1.065000       1.616000
  1 1 1      -3  -34    7 o    2.845000      0.7973000       2.561000 1.118000       3.129000       1.137000     -0.5679000       1.595000
  1 1 1      -3  -34    8 f    3.235000       1.448000       3.235000 1.448000                  ?              ?              ?              ?
  1 1 1      -3  -33    1 f    3.089000      0.8018000       3.887000 1.259000       2.290000      0.9935000       1.597000       1.604000
  1 1 1      -3  -33    2 o    2.712000      0.7691000       2.342000 1.059000       3.082000       1.116000     -0.7404000       1.538000
  1 1 1      -3  -33    3 o    4.785000      0.7679000       4.908000 1.145000       4.663000       1.024000      0.2448000       1.536000
  1 1 1      -3  -33    4 o    3.486000      0.7922000       4.445000 1.191000       2.527000       1.045000       1.917000       1.584000
  1 1 1      -3  -33    5 o    3.347000      0.8018000       4.110000 1.212000       2.584000       1.050000       1.525000       1.604000
  1 1 1      -3  -33    6 o    2.766000      0.7826000       2.484000 1.098000       3.047000       1.116000     -0.5631000       1.565000
  1 1 1      -3  -33    7 o    2.847000      0.8035000       2.823000 1.163000       2.871000       1.109000     -0.4788000E-01   1.607000
  1 1 1      -3  -33    8 o    3.024000      0.7850000       3.924000 1.241000       2.123000      0.9618000       1.801000       1.570000
  1 1 1      -3  -33    9 o    2.826000      0.8201000       2.924000 1.223000       2.727000       1.093000      0.1967000       1.640000
  1 1 1      -3  -33   10 o    2.830000      0.7671000       2.914000 1.123000       2.746000       1.045000      0.1679000       1.534000
  1 1 1      -3  -33   11 o    2.697000      0.7442000       2.217000 1.014000       3.177000       1.089000     -0.9608000       1.488000
  1 1 1      -3  -33   12 o    4.825000       1.445000       4.825000 1.445000                  ?              ?              ?              ?
  1 1 1      -3  -32    1 o    2.753000      0.7701000       2.144000 0.9943000       3.363000       1.176000      -1.219000       1.540000
  1 1 1      -3  -32    2 o    2.427000      0.7387000       2.430000 1.063000       2.423000       1.027000      0.6742000E-02   1.477000
  1 1 1      -3  -32    3 o    3.499000      0.8277000       4.707000 1.315000       2.290000       1.006000       2.417000       1.655000
  1 1 1      -3  -32    4 o    2.664000      0.7840000       2.827000 1.161000       2.500000       1.054000      0.3264000       1.568000
  1 1 1      -3  -32    5 o    3.085000      0.7929000       3.759000 1.212000       2.410000       1.023000       1.349000       1.586000
  1 1 1      -3  -32    6 o    1.902000      0.6364000       1.843000 0.8933000       1.960000      0.9067000     -0.1167000       1.273000
  1 1 1      -3  -32    7 o    2.836000      0.7609000       2.278000 1.033000       3.395000       1.118000      -1.117000       1.522000
  1 1 1      -3  -32    8 o    3.752000      0.7412000       3.367000 1.146000       4.137000      0.9407000     -0.7703000       1.482000
  1 1 1      -3  -32    9 o    3.156000       1.169000       3.156000 1.169000                  ?              ?              ?              ?
  1 1 1      -3  -32   10 f    2.390000      0.7161000       2.126000 0.9816000       2.655000       1.043000     -0.5297000       1.432000
  1 1 1      -3  -32   11 o    2.579000       1.022000                  ?       ?   2.579000       1.022000                  ?              ?
  1 1 1      -3  -32   12 o    1.886000      0.6196000       2.168000 0.9792000       1.604000      0.7595000      0.5639000       1.239000
  1 1 1      -3  -32   13 o    2.710000      0.7057000       2.034000 0.9542000       3.386000       1.040000      -1.352000       1.411000
  1 1 1      -3  -32   14 o    2.186000      0.6802000       2.127000 0.9605000       2.245000      0.9634000     -0.1174000       1.360000
  1 1 1      -3  -32   15 o    4.121000       1.372000       4.121000 1.372000                  ?              ?              ?              ?
  1 1 1      -3  -31    1 o    4.126000      0.8079000       4.312000 1.139000       3.939000       1.146000      0.3726000       1.616000
  1 1 1      -3  -31    2 o    4.462000      0.7433000       4.091000 1.121000       4.833000      0.9758000     -0.7428000       1.487000
  1 1 1      -3  -31    3 f    3.299000      0.7801000       3.179000 1.116000       3.419000       1.090000     -0.2406000       1.560000
  1 1 1      -3  -31    4 o    3.307000      0.8048000       3.267000 1.155000       3.346000       1.121000     -0.7882000E-01   1.610000
  1 1 1      -3  -31    5 f    3.496000      0.7887000       4.284000 1.144000       2.708000       1.086000       1.575000       1.577000
  1 1 1      -3  -31    6 o    4.582000      0.7338000       4.149000 1.152000       5.016000      0.9094000     -0.8673000       1.468000
  1 1 1      -3  -31    7 o    2.609000      0.7196000       2.273000 1.003000       2.945000       1.032000     -0.6716000       1.439000
  1 1 1      -3  -31    8 o    2.584000      0.7430000       2.468000 1.067000       2.700000       1.035000     -0.2319000       1.486000
  1 1 1      -3  -31    9 o    4.334000      0.8801000       4.004000 1.085000       4.664000       1.386000     -0.6604000       1.760000
  1 1 1      -3  -31   10 o    3.759000      0.7195000       3.773000 1.075000       3.745000      0.9568000      0.2863000E-01   1.439000
  1 1 1      -3  -31   11 o    4.167000      0.9552000                  ?       ?   4.167000      0.9552000                  ?              ?
  1 1 1      -3  -31   12 o    2.525000      0.7255000       2.384000 1.053000       2.666000      0.9987000     -0.2818000       1.451000
  1 1 1      -3  -31   13 o    2.280000      0.6798000       2.559000 1.042000       2.002000      0.8729000      0.5566000       1.360000
  1 1 1      -3  -31   14 o    2.439000      0.6420000       3.336000 1.047000       1.543000      0.7429000       1.793000       1.284000
  1 1 1      -3  -31   15 o    2.101000      0.6420000       2.479000 1.003000       1.724000      0.8021000      0.7556000       1.284000
  1 1 1      -3  -31   16 o    2.276000      0.6655000       1.978000 0.8795000       2.574000      0.9991000     -0.5957000       1.331000
  1 1 1      -3  -31   17 o    2.185000      0.6667000       2.344000 0.9858000       2.025000      0.8977000      0.3192000       1.333000
  1 1 1      -3  -30    1 o    3.990000      0.7194000       3.564000 1.058000       4.417000      0.9751000     -0.8524000       1.439000
  1 1 1      -3  -30    2 o    2.565000      0.7181000       3.328000 1.158000       1.803000      0.8500000       1.525000       1.436000
  1 1 1      -3  -30    3 o    2.129000      0.6406000       1.835000 0.8514000       2.422000      0.9574000     -0.5870000       1.281000
  1 1 1      -3  -30    4 o    4.848000      0.5984000       4.758000 0.9042000       4.937000      0.7841000     -0.1797000       1.197000
  1 1 1      -3  -30    5 o    3.820000      0.7141000       4.392000 0.9841000       3.249000       1.035000       1.142000       1.428000
  1 1 1      -3  -30    6 o    2.947000      0.7224000       3.081000 1.053000       2.812000      0.9891000      0.2685000       1.445000
  1 1 1      -3  -30    7 f    2.962000      0.7571000       3.715000 1.181000       2.209000      0.9480000       1.506000       1.514000
  1 1 1      -3  -30    8 o    3.618000      0.7149000       4.073000 1.015000       3.162000       1.007000      0.9114000       1.430000
  1 1 1      -3  -30    9 o    4.983000      0.5599000       4.245000 0.9327000       5.721000      0.6196000      -1.476000       1.120000
  1 1 1      -3  -30   10 o    1.847000      0.6064000       1.824000 0.8646000       1.870000      0.8506000     -0.4657000E-01   1.213000
  1 1 1      -3  -30   11 o    4.229000      0.6558000       3.315000 1.139000       5.143000      0.6504000      -1.828000       1.312000
  1 1 1      -3  -30   12 o    2.438000      0.6879000       2.963000 1.096000       1.912000      0.8317000       1.052000       1.376000
  1 1 1      -3  -30   13 o    2.370000      0.6804000       2.524000 1.014000       2.216000      0.9080000      0.3075000       1.361000
  1 1 1      -3  -30   14 o    1.814000      0.5898000       2.025000 0.9045000       1.602000      0.7573000      0.4231000       1.180000
  1 1 1      -3  -30   15 o    1.758000      0.5734000       1.559000 0.7572000       1.958000      0.8614000     -0.3985000       1.147000
  1 1 1      -3  -30   16 o    3.035000      0.6730000       2.532000 0.9808000       3.537000      0.9219000      -1.005000       1.346000
  1 1 1      -3  -30   17 o    4.024000      0.6566000       4.287000 0.9509000       3.762000      0.9058000      0.5242000       1.313000
  1 1 1      -3  -30   18 o    2.532000      0.6653000       2.911000 0.9782000       2.153000      0.9021000      0.7580000       1.331000
  1 1 1      -3  -30   19 o    2.131000      0.6456000       2.086000 0.9038000       2.175000      0.9221000     -0.8844000E-01   1.291000
  1 1 1      -3  -29    1 o    3.071000      0.7357000       2.555000 1.012000       3.586000       1.068000      -1.032000       1.471000
  1 1 1      -3  -29    2 o    2.980000      0.7049000       2.819000 1.013000       3.141000      0.9808000     -0.3222000       1.410000
  1 1 1      -3  -29    3 o    2.751000      0.6632000       2.724000 0.9518000       2.778000      0.9238000     -0.5440000E-01   1.326000
  1 1 1      -3  -29    4 o    1.513000      0.5146000       1.436000 0.7045000       1.590000      0.7502000     -0.1541000       1.029000
  1 1 1      -3  -29    5 o    1.994000      0.6018000       2.443000 0.9593000       1.544000      0.7270000      0.8989000       1.204000
  1 1 1      -3  -29    6 o    2.356000      0.6475000       2.833000 0.9971000       1.878000      0.8263000      0.9542000       1.295000
  1 1 1      -3  -29    7 o    2.339000      0.5951000       1.649000 0.7812000       3.029000      0.8979000      -1.380000       1.190000
  1 1 1      -3  -29    8 o    1.942000      0.5832000       1.801000 0.8167000       2.083000      0.8329000     -0.2819000       1.166000
  1 1 1      -3  -29    9 o    3.926000      0.6143000       3.208000 1.020000       4.643000      0.6846000      -1.434000       1.229000
  1 1 1      -3  -29   10 o    4.287000      0.5863000       3.626000 0.9585000       4.947000      0.6756000      -1.321000       1.173000
  1 1 1      -3  -29   11 o    5.818000      0.5047000       4.823000 0.8835000       6.812000      0.4880000      -1.989000       1.009000
  1 1 1      -3  -29   12 o    2.269000      0.6158000       1.949000 0.8781000       2.589000      0.8636000     -0.6394000       1.232000
  1 1 1      -3  -29   13 o    2.260000      0.6135000       3.016000 1.002000       1.503000      0.7075000       1.513000       1.227000
  1 1 1      -3  -29   14 o    2.082000      0.6166000       2.420000 0.9585000       1.744000      0.7759000      0.6757000       1.233000
  1 1 1      -3  -29   15 o    4.668000      0.5212000       5.046000 0.7422000       4.289000      0.7319000      0.7578000       1.042000
  1 1 1      -3  -29   16 o    4.077000      0.6205000       3.073000 1.013000       5.081000      0.7162000      -2.007000       1.241000
  1 1 1      -3  -29   17 o    3.246000      0.6771000       2.837000 1.015000       3.655000      0.8960000     -0.8179000       1.354000
  1 1 1      -3  -29   18 o    3.033000      0.6865000       2.869000 0.9691000       3.197000      0.9727000     -0.3285000       1.373000
  1 1 1      -3  -29   19 o    4.256000      0.5633000       4.705000 0.7548000       3.808000      0.8365000      0.8976000       1.127000
  1 1 1      -3  -29   20 o    4.263000      0.6035000       3.578000 0.9400000       4.948000      0.7573000      -1.369000       1.207000
  1 1 1      -3  -29   21 o    2.614000      0.6548000       2.978000 0.9380000       2.250000      0.9139000      0.7280000       1.310000
  1 1 1      -3  -28    1 o    2.637000      0.7421000       2.781000 1.057000       2.493000       1.042000      0.2884000       1.484000
  1 1 1      -3  -28    2 o    1.441000      0.4959000       1.466000 0.7123000       1.416000      0.6901000      0.5002000E-01  0.9918000
  1 1 1      -3  -28    3 o    3.509000      0.6069000       3.157000 0.9362000       3.862000      0.7727000     -0.7059000       1.214000
  1 1 1      -3  -28    4 o    4.186000      0.5548000       2.651000 0.9549000       5.721000      0.5652000      -3.071000       1.110000
  1 1 1      -3  -28    5 o    5.672000      0.3907000       5.086000 0.6141000       6.257000      0.4833000      -1.171000      0.7814000
  1 1 1      -3  -28    6 o    6.974000      0.4054000       6.586000 0.6409000       7.362000      0.4966000     -0.7760000      0.8108000
  1 1 1      -3  -28    7 f    1.978000      0.5809000       2.152000 0.8816000       1.805000      0.7568000      0.3472000       1.162000
  1 1 1      -3  -28    8 o    1.753000      0.5546000       1.635000 0.7769000       1.872000      0.7916000     -0.2375000       1.109000
  1 1 1      -3  -28    9 o    2.564000      0.6297000       2.587000 0.9485000       2.541000      0.8286000      0.4567000E-01   1.259000
  1 1 1      -3  -28   10 o    4.008000      0.9188000       4.008000 0.9188000                  ?              ?              ?              ?
  1 1 1      -3  -28   11 o    3.388000      0.7415000       2.380000 0.9285000       4.396000       1.156000      -2.015000       1.483000
  1 1 1      -3  -28   12 o    1.872000      0.8776000                  ?       ?   1.872000      0.8776000                  ?              ?
  1 1 1      -3  -28   13 o    3.054000      0.7708000       2.819000 1.099000       3.288000       1.081000     -0.4694000       1.542000
  1 1 1      -3  -28   14 o    3.093000      0.7427000       3.520000 1.035000       2.666000       1.065000      0.8538000       1.485000
  1 1 1      -3  -28   15 o    3.560000      0.7453000       3.813000 1.002000       3.307000       1.104000      0.5068000       1.491000
  1 1 1      -3  -28   16 o    6.768000      0.5016000       6.674000 0.6819000       6.862000      0.7359000     -0.1879000       1.003000
  1 1 1      -3  -28   17 o    2.618000      0.7040000       1.784000 0.8374000       3.451000       1.132000      -1.667000       1.408000
  1 1 1      -3  -28   18 o    6.779000      0.3898000       7.494000 0.5753000       6.064000      0.5263000       1.430000      0.7797000
  1 1 1      -3  -28   19 o    4.185000      0.5216000       4.828000 0.6712000       3.541000      0.7986000       1.287000       1.043000
  1 1 1      -3  -28   20 o    2.395000      0.6280000       2.985000 0.9625000       1.804000      0.8067000       1.181000       1.256000
  1 1 1      -3  -28   21 o    2.922000      0.6573000       2.371000 0.9263000       3.472000      0.9329000      -1.100000       1.315000
  1 1 1      -3  -28   22 o    2.282000      0.6421000       2.520000 0.9356000       2.044000      0.8797000      0.4765000       1.284000
  1 1 1      -3  -27    1 o    4.190000      0.7450000       4.397000 0.9944000       3.982000       1.110000      0.4150000       1.490000
  1 1 1      -3  -27    2 o    2.248000      0.6600000       1.908000 0.8790000       2.589000      0.9847000     -0.6808000       1.320000
  1 1 1      -3  -27    3 o    1.924000      0.5883000       2.502000 0.9733000       1.346000      0.6613000       1.156000       1.177000
  1 1 1      -3  -27    4 o    3.282000      0.6577000       3.175000 0.9680000       3.389000      0.8908000     -0.2133000       1.315000
  1 1 1      -3  -27    5 o    2.127000      0.6140000       2.364000 0.9265000       1.890000      0.8059000      0.4742000       1.228000
  1 1 1      -3  -27    6 o    5.594000      0.3976000       5.650000 0.6271000       5.539000      0.4890000      0.1105000      0.7952000
  1 1 1      -3  -27    7 o    5.757000      0.4215000       5.219000 0.7051000       6.295000      0.4620000      -1.076000      0.8430000
  1 1 1      -3  -27    8 o    3.369000      0.5516000       3.661000 0.8454000       3.077000      0.7087000      0.5838000       1.103000
  1 1 1      -3  -27    9 o    3.777000      0.5805000       4.252000 0.8729000       3.302000      0.7654000      0.9509000       1.161000
  1 1 1      -3  -27   10 f    5.735000      0.7727000       5.735000 0.7727000                  ?              ?              ?              ?
  1 1 1      -3  -27   11 o    2.763000      0.6368000       2.681000 1.032000       2.846000      0.7459000     -0.1649000       1.274000
  1 1 1      -3  -27   12 o    3.265000      0.7933000                  ?       ?   3.265000      0.7933000                  ?              ?
  1 1 1      -3  -27   13 o    2.522000      0.5890000       3.137000 0.9065000       1.907000      0.7522000       1.230000       1.178000
  1 1 1      -3  -27   14 f    4.860000      0.3973000       4.894000 0.5837000       4.825000      0.5392000      0.6981000E-01  0.7947000
  1 1 1      -3  -27   15 o    9.201000      0.2591000       8.887000 0.3908000       9.516000      0.3402000     -0.6288000      0.5181000
  1 1 1      -3  -27   16 o    2.233000      0.5804000       2.486000 0.8424000       1.979000      0.7985000      0.5070000       1.161000
  1 1 1      -3  -27   17 o    4.539000      0.4465000       4.688000 0.6211000       4.389000      0.6415000      0.2983000      0.8929000
  1 1 1      -3  -27   18 o    2.269000      0.6031000       2.677000 0.9143000       1.862000      0.7869000      0.8154000       1.206000
  1 1 1      -3  -27   19 o    1.603000      0.5193000       1.652000 0.7607000       1.555000      0.7072000      0.9716000E-01   1.039000
  1 1 1      -3  -27   20 o    3.041000      0.7342000       2.261000 0.9374000       3.821000       1.130000      -1.559000       1.468000
  1 1 1      -3  -27   21 o    3.121000      0.7634000       2.968000 1.018000       3.274000       1.138000     -0.3055000       1.527000
  1 1 1      -3  -27   22 o    3.137000      0.7699000       2.445000 0.9926000       3.829000       1.177000      -1.384000       1.540000
  1 1 1      -3  -27   23 o    2.902000      0.7397000       3.108000 0.9793000       2.696000       1.109000      0.4121000       1.479000
  1 1 1      -3  -27   24 o    2.012000      0.6187000       2.019000 0.8777000       2.006000      0.8724000      0.1346000E-01   1.237000
  1 1 1      -3  -26    1 o    5.051000      0.5696000       4.698000 0.7920000       5.404000      0.8190000     -0.7056000       1.139000
  1 1 1      -3  -26    2 o    5.753000      0.4706000       6.016000 0.6712000       5.490000      0.6598000      0.5253000      0.9412000
  1 1 1      -3  -26    3 o    7.755000      0.3597000       7.971000 0.5282000       7.539000      0.4883000      0.4313000      0.7194000
  1 1 1      -3  -26    4 o    5.832000      0.3813000       5.519000 0.5632000       6.145000      0.5142000     -0.6257000      0.7627000
  1 1 1      -3  -26    5 o    5.504000      0.4159000       5.300000 0.6235000       5.707000      0.5506000     -0.4074000      0.8318000
  1 1 1      -3  -26    6 o    3.574000      0.5720000       4.225000 0.7915000       2.924000      0.8258000       1.301000       1.144000
  1 1 1      -3  -26    7 o    2.432000      0.5894000       2.941000 0.9029000       1.922000      0.7577000       1.019000       1.179000
  1 1 1      -3  -26    8 o    3.483000      0.5457000       2.592000 0.9416000       4.374000      0.5521000      -1.782000       1.091000
  1 1 1      -3  -26    9 o    3.090000      0.5789000       3.582000 0.8611000       2.598000      0.7738000      0.9843000       1.158000
  1 1 1      -3  -26   10 o    2.766000      0.5534000       2.910000 0.8642000       2.622000      0.6915000      0.2880000       1.107000
  1 1 1      -3  -26   11 o    4.726000      0.3573000       5.061000 0.5562000       4.391000      0.4485000      0.6694000      0.7145000
  1 1 1      -3  -26   12 o    2.861000      0.5475000       2.529000 0.8842000       3.193000      0.6460000     -0.6639000       1.095000
  1 1 1      -3  -26   13 o    4.147000      0.4427000       4.553000 0.6708000       3.742000      0.5779000      0.8109000      0.8854000
  1 1 1      -3  -26   14 o    4.010000      0.4466000       4.535000 0.6022000       3.485000      0.6597000       1.050000      0.8932000
  1 1 1      -3  -26   15 o    3.589000      0.6561000       2.853000 1.070000       4.325000      0.7599000      -1.472000       1.312000
  1 1 1      -3  -26   16 o    2.172000      0.6530000       2.175000 0.9788000       2.170000      0.8647000      0.4972000E-02   1.306000
  1 1 1      -3  -26   17 o    3.424000      0.6675000       2.608000 1.091000       4.240000      0.7699000      -1.632000       1.335000
  1 1 1      -3  -26   18 o    2.081000      0.6699000       2.284000 1.045000       1.878000      0.8380000      0.4056000       1.340000
  1 1 1      -3  -26   19 f    2.691000      0.7190000       2.182000 1.007000       3.199000       1.026000      -1.017000       1.438000
  1 1 1      -3  -26   20 o    1.466000      0.4912000       1.438000 0.6852000       1.494000      0.7039000     -0.5546000E-01  0.9823000
  1 1 1      -3  -26   21 o    3.345000      0.5650000       2.945000 0.8489000       3.746000      0.7458000     -0.8008000       1.130000
  1 1 1      -3  -26   22 o    4.442000      0.4940000       4.584000 0.6416000       4.300000      0.7514000      0.2845000      0.9881000
  1 1 1      -3  -26   23 o    2.207000      0.6363000       2.336000 0.9178000       2.077000      0.8814000      0.2587000       1.273000
  1 1 1      -3  -26   24 o    2.979000      0.6985000       3.160000 0.8707000       2.798000       1.092000      0.3625000       1.397000
  1 1 1      -3  -26   25 o    2.508000      0.7067000       3.127000 1.081000       1.890000      0.9104000       1.238000       1.413000
  1 1 1      -3  -25    1 o    3.203000      0.6410000       2.950000 0.8881000       3.455000      0.9247000     -0.5054000       1.282000
  1 1 1      -3  -25    2 o    3.628000      0.5133000       3.292000 0.7653000       3.964000      0.6843000     -0.6720000       1.027000
  1 1 1      -3  -25    3 o    4.027000      0.4632000       4.402000 0.6162000       3.652000      0.6918000      0.7505000      0.9265000
  1 1 1      -3  -25    4 o    5.006000      0.3679000       5.219000 0.5339000       4.793000      0.5062000      0.4256000      0.7357000
  1 1 1      -3  -25    5 o    6.706000      0.2849000       6.732000 0.4216000       6.681000      0.3833000      0.5174000E-01  0.5698000
  1 1 1      -3  -25    6 o    4.826000      0.3790000       4.806000 0.6082000       4.847000      0.4525000     -0.4080000E-01  0.7580000
  1 1 1      -3  -25    7 o    5.742000      0.3548000       5.414000 0.5848000       6.070000      0.4020000     -0.6556000      0.7097000
  1 1 1      -3  -25    8 o    7.193000      0.2988000       6.778000 0.4802000       7.608000      0.3557000     -0.8297000      0.5976000
  1 1 1      -3  -25    9 f    3.587000      0.4764000       3.773000 0.7234000       3.400000      0.6202000      0.3730000      0.9528000
  1 1 1      -3  -25   10 o    1.680000      0.5064000       1.754000 0.7671000       1.605000      0.6612000      0.1490000       1.013000
  1 1 1      -3  -25   11 o    4.895000      0.3351000       5.198000 0.5166000       4.591000      0.4268000      0.6068000      0.6701000
  1 1 1      -3  -25   12 f    4.709000      0.3472000       4.666000 0.5625000       4.753000      0.4072000     -0.8736000E-01  0.6944000
  1 1 1      -3  -25   13 o    4.628000      0.3658000       4.258000 0.5983000       4.997000      0.4210000     -0.7389000      0.7315000
  1 1 1      -3  -25   14 o    1.844000      0.4776000       1.342000 0.6309000       2.347000      0.7172000      -1.005000      0.9552000
  1 1 1      -3  -25   15 o    3.803000      0.4248000       3.661000 0.6529000       3.945000      0.5437000     -0.2842000      0.8497000
  1 1 1      -3  -25   16 o    5.816000      0.3096000       5.481000 0.4770000       6.152000      0.3948000     -0.6711000      0.6192000
  1 1 1      -3  -25   17 o    4.641000      0.3773000       5.006000 0.5032000       4.276000      0.5623000      0.7303000      0.7546000
  1 1 1      -3  -25   18 o    2.952000      0.5392000       2.888000 0.7970000       3.016000      0.7265000     -0.1278000       1.078000
  1 1 1      -3  -25   19 o    3.286000      0.6888000       3.555000 1.153000       3.016000      0.7546000      0.5394000       1.378000
  1 1 1      -3  -25   20 o    3.048000      0.5264000       3.684000 0.6649000       2.412000      0.8162000       1.272000       1.053000
  1 1 1      -3  -25   21 o    3.806000      0.7467000       3.843000 1.193000       3.769000      0.8979000      0.7382000E-01   1.493000
  1 1 1      -3  -25   22 o    3.534000      0.8124000       4.095000 1.270000       2.973000       1.014000       1.122000       1.625000
  1 1 1      -3  -25   23 o    3.768000      0.7298000       2.596000 1.144000       4.939000      0.9066000      -2.343000       1.460000
  1 1 1      -3  -25   24 o    2.492000      0.6018000       1.982000 0.8468000       3.002000      0.8553000      -1.020000       1.204000
  1 1 1      -3  -25   25 o    2.164000      0.6096000       2.338000 0.8911000       1.991000      0.8320000      0.3471000       1.219000
  1 1 1      -3  -25   26 o    2.203000      0.6187000       2.030000 0.8461000       2.375000      0.9029000     -0.3443000       1.237000
  1 1 1      -3  -24    1 o    4.598000      0.4726000       4.846000 0.5871000       4.350000      0.7408000      0.4956000      0.9453000
  1 1 1      -3  -24    2 o    7.185000      0.2833000       7.221000 0.3984000       7.150000      0.4028000      0.7158000E-01  0.5665000
  1 1 1      -3  -24    3 o    8.119000      0.2533000       7.850000 0.3761000       8.388000      0.3394000     -0.5379000      0.5066000
  1 1 1      -3  -24    4 o    4.690000      0.3485000       4.633000 0.5258000       4.747000      0.4575000     -0.1137000      0.6970000
  1 1 1      -3  -24    5 o    3.151000      0.4975000       3.483000 0.7200000       2.818000      0.6867000      0.6645000      0.9950000
  1 1 1      -3  -24    6 o    2.689000      0.5528000       2.664000 0.8573000       2.714000      0.6981000     -0.4925000E-01   1.106000
  1 1 1      -3  -24    7 o    2.144000      0.5473000       2.168000 0.8385000       2.120000      0.7037000      0.4791000E-01   1.095000
  1 1 1      -3  -24    8 f    1.991000      0.4962000       1.492000 0.6783000       2.489000      0.7244000     -0.9967000      0.9924000
  1 1 1      -3  -24    9 o    5.357000      0.2920000       5.586000 0.4583000       5.128000      0.3619000      0.4580000      0.5839000
  1 1 1      -3  -24   10 o    8.112000      0.2371000       8.212000 0.3694000       8.012000      0.2975000      0.2001000      0.4743000
  1 1 1      -3  -24   11 o    2.231000      0.8014000       2.231000 0.8014000                  ?              ?              ?              ?
  1 1 1      -3  -24   12 o    5.655000      0.2788000       5.754000 0.4108000       5.556000      0.3772000      0.1977000      0.5577000
  1 1 1      -3  -24   13 o    4.616000      0.4288000                  ?       ?   4.616000      0.4288000                  ?              ?
  1 1 1      -3  -24   14 o    2.856000      0.4630000       2.346000 0.7382000       3.365000      0.5592000      -1.019000      0.9260000
  1 1 1      -3  -24   15 o    5.510000      0.2656000       5.416000 0.3834000       5.604000      0.3677000     -0.1883000      0.5312000
  1 1 1      -3  -24   16 o    8.411000      0.2290000       8.319000 0.3394000       8.503000      0.3074000     -0.1839000      0.4580000
  1 1 1      -3  -24   17 o    2.322000      0.5088000       2.535000 0.7041000       2.110000      0.7346000      0.4258000       1.018000
  1 1 1      -3  -24   18 o    1.625000      0.4753000       1.865000 0.7122000       1.384000      0.6295000      0.4812000      0.9505000
  1 1 1      -3  -24   19 o    1.650000      0.4774000       1.880000 0.7086000       1.420000      0.6400000      0.4608000      0.9549000
  1 1 1      -3  -24   20 o    1.600000      0.4947000       1.660000 0.7117000       1.539000      0.6873000      0.1212000      0.9894000
  1 1 1      -3  -24   21 o    2.815000      0.5622000       2.901000 0.7846000       2.729000      0.8054000      0.1718000       1.124000
  1 1 1      -3  -24   22 o    2.495000      0.5538000       3.260000 0.8025000       1.730000      0.7635000       1.530000       1.108000
  1 1 1      -3  -24   23 o    5.643000      0.3707000       6.041000 0.4817000       5.244000      0.5636000      0.7969000      0.7414000
  1 1 1      -3  -24   24 o    1.722000      0.5469000       1.619000 0.7400000       1.825000      0.8054000     -0.2063000       1.094000
  1 1 1      -3  -24   25 o    2.395000      0.7393000       2.566000 1.135000       2.224000      0.9471000      0.3415000       1.479000
  1 1 1      -3  -24   26 o    3.466000      0.8007000       3.921000 1.205000       3.011000       1.055000      0.9096000       1.601000
  1 1 1      -3  -24   27 o    3.161000      0.7843000       3.703000 1.173000       2.618000       1.042000       1.085000       1.569000
  1 1 1      -3  -23    1 o    3.178000      0.5644000       3.599000 0.7265000       2.758000      0.8640000      0.8407000       1.129000
  1 1 1      -3  -23    2 o    1.511000      0.4786000       1.526000 0.6835000       1.495000      0.6701000      0.3032000E-01  0.9572000
  1 1 1      -3  -23    3 f    2.951000      0.4707000       3.632000 0.6125000       2.270000      0.7148000       1.362000      0.9413000
  1 1 1      -3  -23    4 o    5.548000      0.2903000       5.532000 0.4418000       5.565000      0.3767000     -0.3285000E-01  0.5806000
  1 1 1      -3  -23    5 o    3.735000      0.4306000       3.196000 0.7358000       4.275000      0.4477000      -1.079000      0.8613000
  1 1 1      -3  -23    6 o    5.172000      0.3146000       5.511000 0.4914000       4.833000      0.3931000      0.6778000      0.6293000
  1 1 1      -3  -23    7 o    14.74000      0.2488000       14.30000 0.3661000       15.18000      0.3371000     -0.8826000      0.4976000
  1 1 1      -3  -23    8 o    11.83000      0.2653000       11.86000 0.4417000       11.80000      0.2939000      0.6442000E-01  0.5305000
  1 1 1      -3  -23    9 o    1.858000      0.4958000       2.266000 0.7768000       1.450000      0.6164000      0.8154000      0.9917000
  1 1 1      -3  -23   10 o    3.446000      0.3930000       3.879000 0.5667000       3.013000      0.5447000      0.8655000      0.7860000
  1 1 1      -3  -23   11 o    2.137000      0.7379000       2.137000 0.7379000                  ?              ?              ?              ?
  1 1 1      -3  -23   12 o    1.275000      0.3969000      0.9800000 0.4824000       1.571000      0.6304000     -0.5906000      0.7938000
  1 1 1      -3  -23   13 o    4.455000      0.3903000                  ?       ?   4.455000      0.3903000                  ?              ?
  1 1 1      -3  -23   14 f    3.190000      0.3968000       3.540000 0.5349000       2.841000      0.5863000      0.6984000      0.7937000
  1 1 1      -3  -23   15 o    1.642000      0.4737000       1.719000 0.6905000       1.564000      0.6487000      0.1554000      0.9474000
  1 1 1      -3  -23   16 o    2.349000      0.4597000       2.911000 0.6168000       1.787000      0.6818000       1.124000      0.9194000
  1 1 1      -3  -23   17 f    4.443000      0.3092000       4.710000 0.4073000       4.177000      0.4654000      0.5331000      0.6185000
  1 1 1      -3  -23   18 o    3.741000      0.3720000       3.815000 0.4983000       3.666000      0.5524000      0.1494000      0.7440000
  1 1 1      -3  -23   19 o    1.767000      0.5043000       1.818000 0.7163000       1.715000      0.7102000      0.1028000       1.009000
  1 1 1      -3  -23   20 o    2.071000      0.5343000       2.148000 0.7516000       1.993000      0.7595000      0.1549000       1.069000
  1 1 1      -3  -23   21 f    3.657000      0.4359000       3.806000 0.5547000       3.508000      0.6725000      0.2980000      0.8717000
  1 1 1      -3  -23   22 o    4.288000      0.4078000       4.559000 0.5155000       4.017000      0.6320000      0.5423000      0.8156000
  1 1 1      -3  -23   23 o    4.407000      0.4011000       4.220000 0.5614000       4.593000      0.5731000     -0.3733000      0.8022000
  1 1 1      -3  -23   24 o    4.920000      0.3948000       4.566000 0.5865000       5.273000      0.5286000     -0.7063000      0.7896000
  1 1 1      -3  -23   25 o    2.271000      0.6172000       2.380000 0.8867000       2.161000      0.8589000      0.2199000       1.234000
  1 1 1      -3  -23   26 o    4.045000      0.5579000       3.693000 0.8522000       4.396000      0.7203000     -0.7022000       1.116000
  1 1 1      -3  -23   27 o    1.951000      0.6347000       2.009000 0.9442000       1.892000      0.8485000      0.1172000       1.269000
  1 1 1      -3  -23   28 o    2.441000      0.7268000       2.264000 1.019000       2.619000       1.036000     -0.3548000       1.454000
  1 1 1      -3  -22    1 f    4.834000      0.3918000       4.735000 0.5265000       4.933000      0.5804000     -0.1973000      0.7836000
  1 1 1      -3  -22    2 o    1.540000      0.4748000       1.710000 0.7115000       1.370000      0.6288000      0.3392000      0.9496000
  1 1 1      -3  -22    3 f    1.571000      0.4542000       1.257000 0.5870000       1.885000      0.6933000     -0.6273000      0.9085000
  1 1 1      -3  -22    4 o    5.658000      0.2796000       5.184000 0.4401000       6.131000      0.3450000     -0.9471000      0.5592000
  1 1 1      -3  -22    5 o    4.691000      0.3142000       4.349000 0.5146000       5.032000      0.3607000     -0.6832000      0.6284000
  1 1 1      -3  -22    6 f    6.262000      0.2439000       6.019000 0.3879000       6.504000      0.2959000     -0.4852000      0.4879000
  1 1 1      -3  -22    7 o    8.134000      0.2135000       8.073000 0.3292000       8.195000      0.2721000     -0.1215000      0.4271000
  1 1 1      -3  -22    8 o    4.709000      0.2849000       4.722000 0.4447000       4.696000      0.3562000      0.2616000E-01  0.5698000
  1 1 1      -3  -22    9 o    8.619000      0.2126000       8.801000 0.3261000       8.437000      0.2727000      0.3637000      0.4251000
  1 1 1      -3  -22   10 o    6.357000      0.2129000       6.394000 0.3217000       6.320000      0.2791000      0.7381000E-01  0.4259000
  1 1 1      -3  -22   11 o    5.761000      0.2224000       6.048000 0.3245000       5.474000      0.3041000      0.5739000      0.4447000
  1 1 1      -3  -22   12 o    5.099000      0.2438000       5.157000 0.3507000       5.041000      0.3388000      0.1162000      0.4876000
  1 1 1      -3  -22   13 o    3.645000      0.3450000       3.544000 0.5276000       3.747000      0.4447000     -0.2030000      0.6900000
  1 1 1      -3  -22   14 o    8.672000      0.2043000       8.719000 0.2957000       8.626000      0.2819000      0.9293000E-01  0.4085000
  1 1 1      -3  -22   15 o    6.080000      0.2306000       6.438000 0.3201000       5.723000      0.3319000      0.7154000      0.4611000
  1 1 1      -3  -22   16 o    7.852000      0.2134000       7.626000 0.3064000       8.078000      0.2970000     -0.4527000      0.4267000
  1 1 1      -3  -22   17 o    11.15000      0.2185000       11.18000 0.3161000       11.12000      0.3018000      0.6017000E-01  0.4371000
  1 1 1      -3  -22   18 f    3.440000      0.3989000       3.547000 0.5238000       3.333000      0.6017000      0.2137000      0.7978000
  1 1 1      -3  -22   19 o    4.386000      0.3307000       4.450000 0.4487000       4.321000      0.4861000      0.1291000      0.6615000
  1 1 1      -3  -22   20 o    4.745000      0.3205000       4.250000 0.4731000       5.241000      0.4325000     -0.9906000      0.6410000
  1 1 1      -3  -22   21 o    1.833000      0.5081000       1.979000 0.7188000       1.688000      0.7183000      0.2912000       1.016000
  1 1 1      -3  -22   22 o    5.584000      0.3051000       5.458000 0.4259000       5.711000      0.4369000     -0.2525000      0.6101000
  1 1 1      -3  -22   23 f    3.778000      0.4483000       3.591000 0.6402000       3.966000      0.6279000     -0.3745000      0.8967000
  1 1 1      -3  -22   24 o    1.922000      0.5532000       2.183000 0.8215000       1.661000      0.7412000      0.5217000       1.106000
  1 1 1      -3  -22   25 o    4.645000      0.4310000       5.182000 0.5031000       4.109000      0.6999000       1.073000      0.8620000
  1 1 1      -3  -22   26 o    5.893000      0.3813000       5.438000 0.5532000       6.347000      0.5249000     -0.9085000      0.7626000
  1 1 1      -3  -22   27 o    6.877000      0.3375000       6.816000 0.4731000       6.938000      0.4816000     -0.1218000      0.6751000
  1 1 1      -3  -22   28 o    4.066000      0.5621000       4.434000 0.7145000       3.698000      0.8680000      0.7362000       1.124000
  1 1 1      -3  -22   29 o    3.226000      0.6195000       3.634000 0.8287000       2.818000      0.9210000      0.8157000       1.239000
  1 1 1      -3  -21    1 o    2.613000      0.5075000       2.836000 0.6737000       2.391000      0.7591000      0.4450000       1.015000
  1 1 1      -3  -21    2 o    3.083000      0.3835000       2.976000 0.5604000       3.190000      0.5237000     -0.2137000      0.7670000
  1 1 1      -3  -21    3 o    4.027000      0.2932000       4.140000 0.4201000       3.914000      0.4093000      0.2263000      0.5865000
  1 1 1      -3  -21    4 o    5.703000      0.2462000       5.955000 0.3581000       5.451000      0.3379000      0.5035000      0.4924000
  1 1 1      -3  -21    5 o    7.780000      0.2137000       8.139000 0.3247000       7.422000      0.2779000      0.7176000      0.4274000
  1 1 1      -3  -21    6 o    8.263000      0.1956000       8.636000 0.2903000       7.890000      0.2623000      0.7461000      0.3912000
  1 1 1      -3  -21    7 o    1.595000      0.4164000       1.354000 0.5978000       1.835000      0.5798000     -0.4808000      0.8328000
  1 1 1      -3  -21    8 o    3.527000      0.3423000       3.271000 0.5704000       3.782000      0.3786000     -0.5108000      0.6846000
  1 1 1      -3  -21    9 o    8.260000      0.1886000       8.419000 0.2781000       8.101000      0.2547000      0.3177000      0.3772000
  1 1 1      -3  -21   10 o    2.114000      0.4240000       2.334000 0.6123000       1.894000      0.5865000      0.4395000      0.8479000
  1 1 1      -3  -21   11 o    10.35000      0.1970000       10.36000 0.2890000       10.34000      0.2679000      0.2218000E-01  0.3940000
  1 1 1      -3  -21   12 o    2.535000      0.3844000       3.205000 0.4632000       1.865000      0.6135000       1.339000      0.7687000
  1 1 1      -3  -21   13 o    8.582000      0.2015000       8.316000 0.2933000       8.847000      0.2764000     -0.5310000      0.4031000
  1 1 1      -3  -21   14 o    6.184000      0.2117000       6.047000 0.3068000       6.320000      0.2916000     -0.2730000      0.4233000
  1 1 1      -3  -21   15 o    3.734000      0.3051000       4.148000 0.3776000       3.320000      0.4794000      0.8272000      0.6102000
  1 1 1      -3  -21   16 o    5.531000      0.2380000       5.497000 0.3425000       5.565000      0.3306000     -0.6768000E-01  0.4760000
  1 1 1      -3  -21   17 o    9.972000      0.2132000       9.881000 0.3069000       10.06000      0.2961000     -0.1815000      0.4265000
  1 1 1      -3  -21   18 o    4.475000      0.2772000       4.424000 0.3827000       4.526000      0.4012000     -0.1019000      0.5544000
  1 1 1      -3  -21   19 o    3.448000      0.3794000       3.577000 0.4892000       3.320000      0.5802000      0.2575000      0.7589000
  1 1 1      -3  -21   20 o    9.150000      0.2239000       9.244000 0.3135000       9.055000      0.3196000      0.1887000      0.4477000
  1 1 1      -3  -21   21 o    3.181000      0.4541000       3.151000 0.5852000       3.212000      0.6947000     -0.6047000E-01  0.9083000
  1 1 1      -3  -21   22 o    5.339000      0.3364000       5.819000 0.4288000       4.859000      0.5186000      0.9597000      0.6729000
  1 1 1      -3  -21   23 o    6.134000      0.2933000       6.131000 0.3896000       6.137000      0.4386000     -0.6439000E-02  0.5867000
  1 1 1      -3  -21   24 o    6.462000      0.3114000       6.778000 0.3962000       6.145000      0.4806000      0.6339000      0.6229000
  1 1 1      -3  -21   25 o    3.366000      0.5572000       3.503000 0.7365000       3.228000      0.8362000      0.2743000       1.114000
  1 1 1      -3  -21   26 o    5.576000      0.3739000       6.036000 0.4462000       5.115000      0.6000000      0.9204000      0.7477000
  1 1 1      -3  -21   27 o    2.577000      0.5914000       1.878000 0.8007000       3.277000      0.8706000      -1.398000       1.183000
  1 1 1      -3  -21   28 o    5.003000      0.4324000       5.210000 0.5831000       4.797000      0.6386000      0.4131000      0.8648000
  1 1 1      -3  -21   29 o    4.547000      0.5041000       4.425000 0.7240000       4.670000      0.7017000     -0.2456000       1.008000
  1 1 1      -3  -21   30 o    2.222000      0.6151000       2.518000 0.8986000       1.926000      0.8402000      0.5915000       1.230000
  1 1 1      -3  -20    1 o    3.250000      0.8251000       2.511000 1.062000       3.989000       1.263000      -1.478000       1.650000
  1 1 1      -3  -20    2 o    3.322000      0.7968000       3.548000 1.241000       3.097000      0.9999000      0.4513000       1.594000
  1 1 1      -3  -20    3 o    8.074000      0.5750000       7.464000 1.038000       8.684000      0.4946000      -1.219000       1.150000
  1 1 1      -3  -20    4 o    6.415000      0.5480000       6.664000 0.9473000       6.166000      0.5512000      0.4982000       1.096000
  1 1 1      -3  -20    5 o    2.027000      0.5711000       2.536000 0.9207000       1.517000      0.6762000       1.019000       1.142000
  1 1 1      -3  -20    6 o    4.431000      0.3730000       4.382000 0.5762000       4.481000      0.4740000     -0.9891000E-01  0.7461000
  1 1 1      -3  -20    7 o    1.457000      0.4514000       1.816000 0.7555000       1.098000      0.4944000      0.7178000      0.9029000
  1 1 1      -3  -20    8 o    2.021000      0.4290000       2.271000 0.6313000       1.772000      0.5812000      0.4995000      0.8581000
  1 1 1      -3  -20    9 o    4.559000      0.2318000       4.475000 0.3551000       4.644000      0.2982000     -0.1696000      0.4637000
  1 1 1      -3  -20   10 f    8.039000      0.1812000       8.256000 0.2681000       7.822000      0.2437000      0.4336000      0.3623000
  1 1 1      -3  -20   11 o    12.16000      0.2054000       12.46000 0.3000000       11.87000      0.2807000      0.5930000      0.4108000
  1 1 1      -3  -20   12 o    2.942000      0.4831000       2.942000 0.4831000                  ?              ?              ?              ?
  1 1 1      -3  -20   13 o    1.388000      0.4134000       1.531000 0.6060000       1.245000      0.5624000      0.2860000      0.8268000
  1 1 1      -3  -20   14 o    10.64000      0.2773000                  ?       ?   10.64000      0.2773000                  ?              ?
  1 1 1      -3  -20   15 o    5.529000      0.2390000       5.627000 0.3292000       5.432000      0.3465000      0.1953000      0.4780000
  1 1 1      -3  -20   16 o    5.316000      0.2485000       5.621000 0.3343000       5.012000      0.3677000      0.6092000      0.4969000
  1 1 1      -3  -20   17 o    12.76000      0.2253000       12.29000 0.3169000       13.22000      0.3203000     -0.9320000      0.4506000
  1 1 1      -3  -20   18 o    9.027000      0.2186000       9.073000 0.3102000       8.981000      0.3081000      0.9238000E-01  0.4372000
  1 1 1      -3  -20   19 o    2.889000      0.4511000       2.522000 0.6728000       3.256000      0.6012000     -0.7342000      0.9022000
  1 1 1      -3  -20   20 o    7.810000      0.2300000       7.690000 0.3234000       7.931000      0.3271000     -0.2408000      0.4600000
  1 1 1      -3  -20   21 o    4.702000      0.3271000       5.155000 0.4054000       4.249000      0.5135000      0.9052000      0.6542000
  1 1 1      -3  -20   22 o    6.063000      0.2859000       6.065000 0.3817000       6.061000      0.4258000      0.4687000E-02  0.5718000
  1 1 1      -3  -20   23 o    4.007000      0.4431000       4.454000 0.5021000       3.560000      0.7303000      0.8942000      0.8862000
  1 1 1      -3  -20   24 o    3.301000      0.5088000       3.735000 0.6137000       2.867000      0.8118000      0.8680000       1.018000
  1 1 1      -3  -20   25 o    6.761000      0.3034000       6.849000 0.4082000       6.674000      0.4489000      0.1748000      0.6068000
  1 1 1      -3  -20   26 o    5.566000      0.3730000       5.757000 0.4904000       5.375000      0.5621000      0.3821000      0.7459000
  1 1 1      -3  -20   27 o    2.270000      0.5910000       1.924000 0.7785000       2.615000      0.8894000     -0.6915000       1.182000
  1 1 1      -3  -20   28 o    5.565000      0.3841000       5.659000 0.4959000       5.472000      0.5867000      0.1866000      0.7682000
  1 1 1      -3  -20   29 o    2.182000      0.6335000       1.935000 0.7947000       2.428000      0.9867000     -0.4939000       1.267000
  1 1 1      -3  -20   30 o    2.384000      0.6149000       2.705000 0.8793000       2.063000      0.8599000      0.6417000       1.230000
  1 1 1      -3  -20   31 o    2.376000      0.6366000       2.279000 0.8797000       2.473000      0.9204000     -0.1944000       1.273000
  1 1 1      -3  -19    1 o    2.847000      0.4652000       3.243000 0.5935000       2.450000      0.7165000      0.7928000      0.9304000
  1 1 1      -3  -19    2 o    6.332000      0.2136000       6.605000 0.3088000       6.060000      0.2951000      0.5456000      0.4271000
  1 1 1      -3  -19    3 o    4.941000      0.2471000       4.811000 0.3745000       5.071000      0.3223000     -0.2601000      0.4942000
  1 1 1      -3  -19    4 o    3.457000      0.2930000       3.815000 0.4157000       3.099000      0.4132000      0.7164000      0.5861000
  1 1 1      -3  -19    5 o    2.002000      0.3627000       1.473000 0.5969000       2.531000      0.4121000      -1.058000      0.7254000
  1 1 1      -3  -19    6 o    8.801000      0.1784000       8.750000 0.2648000       8.851000      0.2390000     -0.1010000      0.3567000
  1 1 1      -3  -19    7 o    4.477000      0.2140000       4.244000 0.3365000       4.710000      0.2645000     -0.4655000      0.4280000
  1 1 1      -3  -19    8 o    5.217000      0.1889000       5.054000 0.2846000       5.380000      0.2483000     -0.3261000      0.3777000
  1 1 1      -3  -19    9 o    1.950000      0.3581000       1.954000 0.5367000       1.947000      0.4742000      0.7224000E-02  0.7161000
  1 1 1      -3  -19   10 o    12.36000      0.2718000       12.38000 0.3828000       12.33000      0.3859000      0.4866000E-01  0.5436000
  1 1 1      -3  -19   11 o    7.009000      0.2311000       7.302000 0.3106000       6.717000      0.3424000      0.5857000      0.4623000
  1 1 1      -3  -19   12 o    3.788000      0.3800000       3.788000 0.3800000                  ?              ?              ?              ?
  1 1 1      -3  -19   13 o    5.510000      0.2671000       5.634000 0.3358000       5.386000      0.4154000      0.2477000      0.5341000
  1 1 1      -3  -19   14 o    3.212000      0.6601000                  ?       ?   3.212000      0.6601000                  ?              ?
  1 1 1      -3  -19   15 o    4.876000      0.2471000       5.247000 0.3329000       4.504000      0.3652000      0.7422000      0.4941000
  1 1 1      -3  -19   16 o    8.010000      0.2068000       8.294000 0.2933000       7.726000      0.2914000      0.5682000      0.4135000
  1 1 1      -3  -19   17 o    1.600000      0.4463000       1.621000 0.6256000       1.580000      0.6367000      0.4137000E-01  0.8926000
  1 1 1      -3  -19   18 o    4.753000      0.2788000       4.886000 0.3617000       4.619000      0.4242000      0.2669000      0.5575000
  1 1 1      -3  -19   19 o    8.868000      0.2206000       8.799000 0.3121000       8.938000      0.3118000     -0.1389000      0.4411000
  1 1 1      -3  -19   20 o    17.54000      0.2741000       17.05000 0.3836000       18.03000      0.3915000     -0.9770000      0.5481000
  1 1 1      -3  -19   21 o    2.477000      0.4778000       1.655000 0.6800000       3.299000      0.6713000      -1.645000      0.9555000
  1 1 1      -3  -19   22 o    3.285000      0.4722000       3.396000 0.6115000       3.173000      0.7197000      0.2230000      0.9444000
  1 1 1      -3  -19   23 o    6.562000      0.2789000       6.715000 0.3802000       6.408000      0.4082000      0.3076000      0.5578000
  1 1 1      -3  -19   24 o    1.410000      0.4622000       1.377000 0.6318000       1.444000      0.6748000     -0.6654000E-01  0.9244000
  1 1 1      -3  -19   25 o    2.622000      0.5618000       2.599000 0.7458000       2.645000      0.8404000     -0.4592000E-01   1.124000
  1 1 1      -3  -19   26 o    5.268000      0.3792000       5.731000 0.4528000       4.806000      0.6084000      0.9254000      0.7584000
  1 1 1      -3  -19   27 o    3.842000      0.4984000       4.341000 0.5806000       3.344000      0.8103000      0.9969000      0.9968000
  1 1 1      -3  -19   28 o    6.543000      0.3341000       6.617000 0.4551000       6.469000      0.4893000      0.1482000      0.6682000
  1 1 1      -3  -19   29 o    1.816000      0.5573000       1.999000 0.8158000       1.633000      0.7595000      0.3665000       1.115000
  1 1 1      -3  -19   30 o    2.371000      0.5951000       1.687000 0.7659000       3.055000      0.9109000      -1.368000       1.190000
  1 1 1      -3  -19   31 o    2.674000      0.6064000       3.170000 0.8389000       2.178000      0.8758000      0.9922000       1.213000
  1 1 1      -3  -19   32 o    2.669000      0.6069000       2.118000 0.8419000       3.219000      0.8742000      -1.100000       1.214000
  1 1 1      -3  -18    1 o    7.558000      0.2403000       7.419000 0.3218000       7.698000      0.3570000     -0.2789000      0.4807000
  1 1 1      -3  -18    2 o    7.407000      0.2235000       7.665000 0.3111000       7.148000      0.3209000      0.5168000      0.4470000
  1 1 1      -3  -18    3 o    11.15000      0.2540000       10.97000 0.3550000       11.32000      0.3634000     -0.3496000      0.5080000
  1 1 1      -3  -18    4 o    6.658000      0.2209000       6.888000 0.3221000       6.429000      0.3025000      0.4594000      0.4418000
  1 1 1      -3  -18    5 o    10.21000      0.2425000       10.37000 0.3544000       10.06000      0.3310000      0.3076000      0.4850000
  1 1 1      -3  -18    6 o    8.630000      0.2325000       8.414000 0.3397000       8.846000      0.3176000     -0.4319000      0.4650000
  1 1 1      -3  -18    7 o    5.161000      0.2874000       4.982000 0.4563000       5.340000      0.3495000     -0.3581000      0.5747000
  1 1 1      -3  -18    8 o    4.200000      0.3403000       4.284000 0.5327000       4.116000      0.4237000      0.1686000      0.6806000
  1 1 1      -3  -18    9 o    5.254000      0.3153000       5.433000 0.4898000       5.076000      0.3971000      0.3576000      0.6305000
  1 1 1      -3  -18   10 o    4.136000      0.2243000       4.286000 0.3069000       3.987000      0.3271000      0.2989000      0.4485000
  1 1 1      -3  -18   11 o    4.454000      0.2097000       4.475000 0.2945000       4.434000      0.2986000      0.4142000E-01  0.4194000
  1 1 1      -3  -18   12 o    4.778000      0.2123000       4.971000 0.2856000       4.585000      0.3141000      0.3861000      0.4246000
  1 1 1      -3  -18   13 o    6.500000      0.1994000       6.730000 0.2796000       6.271000      0.2844000      0.4586000      0.3988000
  1 1 1      -3  -18   14 o    10.18000      0.1973000       9.939000 0.2849000       10.42000      0.2729000     -0.4787000      0.3945000
  1 1 1      -3  -18   15 o    8.648000      0.2617000       8.915000 0.3480000       8.381000      0.3909000      0.5338000      0.5233000
  1 1 1      -3  -18   16 o    2.194000      0.4734000       2.399000 0.6016000       1.988000      0.7312000      0.4114000      0.9468000
  1 1 1      -3  -18   17 o    4.491000      0.3744000       4.246000 0.4742000       4.736000      0.5796000     -0.4909000      0.7489000
  1 1 1      -3  -18   18 o    7.361000      0.2845000       7.264000 0.3577000       7.458000      0.4425000     -0.1937000      0.5690000
  1 1 1      -3  -18   19 o    14.97000      0.2465000       14.55000 0.3471000       15.40000      0.3501000     -0.8512000      0.4930000
  1 1 1      -3  -18   20 f    9.218000      0.2269000       9.018000 0.3223000       9.418000      0.3195000     -0.3991000      0.4539000
  1 1 1      -3  -18   21 o    8.296000      0.2320000       8.485000 0.3186000       8.107000      0.3372000      0.3778000      0.4640000
  1 1 1      -3  -18   22 o    9.068000      0.2352000       9.008000 0.3304000       9.128000      0.3348000     -0.1200000      0.4704000
  1 1 1      -3  -18   23 o    5.287000      0.3330000       5.577000 0.4172000       4.998000      0.5193000      0.5785000      0.6661000
  1 1 1      -3  -18   24 o    5.147000      0.3298000       5.011000 0.4425000       5.283000      0.4893000     -0.2728000      0.6597000
  1 1 1      -3  -18   25 o    7.237000      0.2811000       6.787000 0.3863000       7.688000      0.4085000     -0.9015000      0.5622000
  1 1 1      -3  -18   26 o    5.361000      0.3596000       5.082000 0.4983000       5.639000      0.5186000     -0.5576000      0.7192000
  1 1 1      -3  -18   27 o    1.568000      0.4935000       1.781000 0.7390000       1.355000      0.6543000      0.4257000      0.9870000
  1 1 1      -3  -18   28 o    4.704000      0.4377000       4.045000 0.6659000       5.364000      0.5684000      -1.319000      0.8755000
  1 1 1      -3  -18   29 o    5.059000      0.4076000       5.122000 0.5406000       4.996000      0.6100000      0.1264000      0.8151000
  1 1 1      -3  -18   30 o    3.526000      0.5967000       3.402000 0.8336000       3.650000      0.8541000     -0.2483000       1.193000
  1 1 1      -3  -18   31 o    2.086000      0.5712000       2.633000 0.8870000       1.539000      0.7201000       1.094000       1.142000
  1 1 1      -3  -18   32 o    2.011000      0.5966000       1.839000 0.8076000       2.182000      0.8784000     -0.3426000       1.193000
  1 1 1      -3  -17    1 o    7.728000      0.2124000       7.934000 0.3097000       7.522000      0.2906000      0.4120000      0.4247000
  1 1 1      -3  -17    2 o    3.721000      0.2665000       3.968000 0.3683000       3.474000      0.3854000      0.4940000      0.5331000
  1 1 1      -3  -17    3 o    2.793000      0.3443000       2.080000 0.5990000       3.505000      0.3397000      -1.425000      0.6886000
  1 1 1      -3  -17    4 f    9.693000      0.1759000       9.786000 0.2586000       9.600000      0.2385000      0.1859000      0.3518000
  1 1 1      -3  -17    5 o    5.266000      0.1899000       4.843000 0.2985000       5.689000      0.2348000     -0.8468000      0.3797000
  1 1 1      -3  -17    6 o    5.172000      0.1750000       5.168000 0.2552000       5.176000      0.2397000     -0.7763000E-02  0.3501000
  1 1 1      -3  -17    7 o    5.959000      0.1691000       5.870000 0.2488000       6.048000      0.2291000     -0.1788000      0.3382000
  1 1 1      -3  -17    8 o    12.90000      0.2002000       12.96000 0.2877000       12.83000      0.2785000      0.1268000      0.4004000
  1 1 1      -3  -17    9 o    6.415000      0.1716000       6.188000 0.2484000       6.641000      0.2368000     -0.4531000      0.3432000
  1 1 1      -3  -17   10 o    4.615000      0.2049000       4.746000 0.2852000       4.485000      0.2941000      0.2616000      0.4097000
  1 1 1      -3  -17   11 o    4.978000      0.3581000       4.438000 0.6025000       5.518000      0.3873000      -1.080000      0.7162000
  1 1 1      -3  -17   12 o    3.969000      0.4405000       4.373000 0.6675000       3.566000      0.5751000      0.8067000      0.8811000
  1 1 1      -3  -17   13 o    2.636000      0.5301000       2.075000 0.8618000       3.197000      0.6176000      -1.122000       1.060000
  1 1 1      -3  -17   14 o    11.70000      0.3161000       11.74000 0.4751000       11.67000      0.4171000      0.6614000E-01  0.6322000
  1 1 1      -3  -17   15 o    10.30000      0.2043000       10.39000 0.2935000       10.21000      0.2842000      0.1812000      0.4086000
  1 1 1      -3  -17   16 o    4.933000      0.2475000       4.794000 0.3625000       5.072000      0.3372000     -0.2778000      0.4950000
  1 1 1      -3  -17   17 o    3.184000      0.3994000       4.001000 0.4286000       2.368000      0.6742000       1.633000      0.7989000
  1 1 1      -3  -17   18 o    1.821000      0.4644000       1.810000 0.6423000       1.831000      0.6709000     -0.2090000E-01  0.9288000
  1 1 1      -3  -17   19 o    8.372000      0.2896000       8.119000 0.3694000       8.624000      0.4460000     -0.5045000      0.5791000
  1 1 1      -3  -17   20 o    1.912000      0.5457000       1.722000 0.6958000       2.102000      0.8409000     -0.3804000       1.091000
  1 1 1      -3  -17   21 o    2.524000      0.5102000       2.839000 0.6830000       2.209000      0.7581000      0.6306000       1.020000
  1 1 1      -3  -17   22 o    4.847000      0.3080000       4.515000 0.4302000       5.180000      0.4409000     -0.6643000      0.6160000
  1 1 1      -3  -17   23 o    4.501000      0.3406000       4.476000 0.4514000       4.526000      0.5102000     -0.5001000E-01  0.6812000
  1 1 1      -3  -17   24 o    1.375000      0.4525000       1.170000 0.5627000       1.580000      0.7087000     -0.4106000      0.9049000
  1 1 1      -3  -17   25 o    6.828000      0.2909000       6.968000 0.3836000       6.689000      0.4373000      0.2784000      0.5817000
  1 1 1      -3  -17   26 o    1.508000      0.4769000       1.727000 0.7169000       1.290000      0.6291000      0.4376000      0.9538000
  1 1 1      -3  -17   27 o    2.574000      0.5908000       2.757000 0.7913000       2.390000      0.8775000      0.3670000       1.182000
  1 1 1      -3  -17   28 o    4.302000      0.4931000       4.953000 0.5239000       3.651000      0.8356000       1.301000      0.9862000
  1 1 1      -3  -17   29 o    4.670000      0.4506000       4.903000 0.5572000       4.437000      0.7082000      0.4658000      0.9011000
  1 1 1      -3  -17   30 o    3.384000      0.5833000       3.156000 0.7783000       3.613000      0.8689000     -0.4565000       1.167000
  1 1 1      -3  -17   31 o    1.714000      0.5409000       1.742000 0.7595000       1.686000      0.7704000      0.5617000E-01   1.082000
  1 1 1      -3  -17   32 o    2.575000      0.6257000       2.515000 0.8783000       2.635000      0.8915000     -0.1197000       1.251000
  1 1 1      -3  -17   33 o    5.140000      0.4150000       5.562000 0.5208000       4.719000      0.6462000      0.8433000      0.8299000
  1 1 1      -3  -16    1 o    9.062000      0.1974000       9.227000 0.2966000       8.896000      0.2604000      0.3309000      0.3948000
  1 1 1      -3  -16    2 o    5.851000      0.1892000       5.658000 0.2867000       6.044000      0.2469000     -0.3864000      0.3784000
  1 1 1      -3  -16    3 o    6.365000      0.1668000       6.654000 0.2460000       6.075000      0.2253000      0.5788000      0.3336000
  1 1 1      -3  -16    4 o    4.697000      0.1860000       4.512000 0.2880000       4.882000      0.2353000     -0.3703000      0.3719000
  1 1 1      -3  -16    5 o    1.132000      0.3396000       1.166000 0.4987000       1.097000      0.4612000      0.6839000E-01  0.6792000
  1 1 1      -3  -16    6 o    11.27000      0.1795000       11.27000 0.2573000       11.27000      0.2504000      0.3503000E-02  0.3590000
  1 1 1      -3  -16    7 o    10.91000      0.1771000       11.03000 0.2560000       10.79000      0.2449000      0.2422000      0.3543000
  1 1 1      -3  -16    8 o    8.251000      0.1646000       8.107000 0.2327000       8.396000      0.2330000     -0.2895000      0.3292000
  1 1 1      -3  -16    9 o    9.058000      0.1725000       8.853000 0.2467000       9.264000      0.2411000     -0.4108000      0.3449000
  1 1 1      -3  -16   10 o    5.890000      0.1797000       6.193000 0.2483000       5.586000      0.2598000      0.6067000      0.3593000
  1 1 1      -3  -16   11 o    5.702000      0.1882000       5.758000 0.2669000       5.646000      0.2655000      0.1126000      0.3765000
  1 1 1      -3  -16   12 o    3.609000      0.2393000       3.763000 0.3189000       3.455000      0.3570000      0.3077000      0.4787000
  1 1 1      -3  -16   13 o    3.170000      0.3824000       3.170000 0.3824000                  ?              ?              ?              ?
  1 1 1      -3  -16   14 o    6.709000      0.1959000       6.674000 0.2750000       6.744000      0.2791000     -0.7017000E-01  0.3918000
  1 1 1      -3  -16   15 o    4.047000      0.5343000                  ?       ?   4.047000      0.5343000                  ?              ?
  1 1 1      -3  -16   16 o    2.656000      0.6064000       3.242000 0.9407000       2.071000      0.7655000       1.171000       1.213000
  1 1 1      -3  -16   17 o    3.183000      0.6343000       3.279000 0.9823000       3.086000      0.8029000      0.1935000       1.269000
  1 1 1      -3  -16   18 o    1.713000      0.4694000       1.797000 0.6681000       1.630000      0.6596000      0.1675000      0.9389000
  1 1 1      -3  -16   19 o    5.661000      0.2528000       6.057000 0.3258000       5.265000      0.3866000      0.7916000      0.5056000
  1 1 1      -3  -16   20 o    5.410000      0.2581000       5.261000 0.3562000       5.559000      0.3737000     -0.2986000      0.5162000
  1 1 1      -3  -16   21 o    8.767000      0.3009000       8.810000 0.3844000       8.723000      0.4629000      0.8764000E-01  0.6017000
  1 1 1      -3  -16   22 o    4.611000      0.4421000       4.504000 0.5278000       4.719000      0.7094000     -0.2158000      0.8842000
  1 1 1      -3  -16   23 o    2.510000      0.5999000       2.568000 0.7641000       2.451000      0.9250000      0.1174000       1.200000
  1 1 1      -3  -16   24 o    7.141000      0.2647000       7.332000 0.3633000       6.951000      0.3851000      0.3811000      0.5294000
  1 1 1      -3  -16   25 o    2.040000      0.5358000       1.724000 0.7025000       2.356000      0.8092000     -0.6321000       1.072000
  1 1 1      -3  -16   26 o    5.665000      0.3311000       5.536000 0.4428000       5.795000      0.4925000     -0.2588000      0.6623000
  1 1 1      -3  -16   27 f    2.516000      0.5763000       2.581000 0.7667000       2.450000      0.8606000      0.1306000       1.153000
  1 1 1      -3  -16   28 o    2.583000      0.5994000       2.537000 0.8156000       2.629000      0.8785000     -0.9254000E-01   1.199000
  1 1 1      -3  -16   29 o    5.709000      0.3743000       5.753000 0.5060000       5.664000      0.5518000      0.8925000E-01  0.7487000
  1 1 1      -3  -16   30 o    2.372000      0.5919000       2.780000 0.8244000       1.965000      0.8496000      0.8156000       1.184000
  1 1 1      -3  -16   31 o    3.389000      0.5619000       2.508000 0.8546000       4.271000      0.7299000      -1.763000       1.124000
  1 1 1      -3  -16   32 o    1.754000      0.5478000       1.717000 0.7574000       1.791000      0.7917000     -0.7445000E-01   1.096000
  1 1 1      -3  -16   33 o    2.055000      0.5905000       1.829000 0.7862000       2.281000      0.8814000     -0.4517000       1.181000
  1 1 1      -3  -16   34 o    2.164000      0.6072000       1.799000 0.7845000       2.529000      0.9271000     -0.7291000       1.214000
  1 1 1      -3  -15    1 o    12.62000      0.2150000       12.51000 0.3179000       12.74000      0.2895000     -0.2298000      0.4300000
  1 1 1      -3  -15    2 o    2.273000      0.3146000       2.183000 0.4699000       2.362000      0.4183000     -0.1782000      0.6291000
  1 1 1      -3  -15    3 o    1.677000      0.3553000       1.398000 0.5362000       1.955000      0.4663000     -0.5570000      0.7106000
  1 1 1      -3  -15    4 o    4.550000      0.1738000       4.436000 0.2640000       4.663000      0.2262000     -0.2267000      0.3476000
  1 1 1      -3  -15    5 o    11.56000      0.1796000       11.55000 0.2569000       11.57000      0.2511000     -0.2264000E-01  0.3592000
  1 1 1      -3  -15    6 o    8.781000      0.1582000       9.040000 0.2298000       8.522000      0.2175000      0.5180000      0.3164000
  1 1 1      -3  -15    7 o    2.987000      0.2451000       2.856000 0.3570000       3.119000      0.3360000     -0.2630000      0.4902000
  1 1 1      -3  -15    8 o    2.818000      0.2546000       2.905000 0.3498000       2.730000      0.3701000      0.1744000      0.5092000
  1 1 1      -3  -15    9 o    5.045000      0.1796000       5.266000 0.2495000       4.824000      0.2584000      0.4413000      0.3592000
  1 1 1      -3  -15   10 o    1.270000      0.3462000       1.613000 0.5371000      0.9266000      0.4370000      0.6861000      0.6924000
  1 1 1      -3  -15   11 o    3.875000      0.2232000       4.287000 0.2825000       3.463000      0.3457000      0.8237000      0.4465000
  1 1 1      -3  -15   12 o    3.518000      0.2709000       3.475000 0.3798000       3.561000      0.3864000     -0.8586000E-01  0.5418000
  1 1 1      -3  -15   13 o    6.182000      0.2793000       6.182000 0.2793000                  ?              ?              ?              ?
  1 1 1      -3  -15   14 o    7.980000      0.1913000       8.049000 0.2746000       7.912000      0.2665000      0.1379000      0.3826000
  1 1 1      -3  -15   15 o    2.715000      0.5741000                  ?       ?   2.715000      0.5741000                  ?              ?
  1 1 1      -3  -15   16 o    4.678000      0.2495000       4.628000 0.3467000       4.729000      0.3588000     -0.1011000      0.4989000
  1 1 1      -3  -15   17 o    2.340000      0.4294000       2.579000 0.5545000       2.100000      0.6557000      0.4790000      0.8587000
  1 1 1      -3  -15   19 o    10.16000      0.3321000       9.686000 0.5042000       10.63000      0.4325000     -0.9444000      0.6643000
  1 1 1      -3  -15   20 o    7.952000      0.3581000       8.192000 0.5551000       7.711000      0.4526000      0.4808000      0.7162000
  1 1 1      -3  -15   21 f    7.673000      0.2254000       7.522000 0.3172000       7.825000      0.3202000     -0.3035000      0.4507000
  1 1 1      -3  -15   22 o    3.972000      0.3697000       3.605000 0.5437000       4.339000      0.5011000     -0.7337000      0.7394000
  1 1 1      -3  -15   23 o    2.583000      0.5691000       2.807000 0.7074000       2.359000      0.8918000      0.4477000       1.138000
  1 1 1      -3  -15   24 o    6.534000      0.3414000       6.386000 0.4249000       6.682000      0.5344000     -0.2965000      0.6828000
  1 1 1      -3  -15   25 o    4.040000      0.4035000       4.057000 0.5231000       4.024000      0.6144000      0.3354000E-01  0.8069000
  1 1 1      -3  -15   26 o    4.374000      0.4171000       4.444000 0.5481000       4.303000      0.6290000      0.1409000      0.8343000
  1 1 1      -3  -15   27 o    7.463000      0.2806000       6.898000 0.4042000       8.029000      0.3893000      -1.130000      0.5612000
  1 1 1      -3  -15   28 o    2.069000      0.5706000       2.160000 0.7901000       1.978000      0.8234000      0.1820000       1.141000
  1 1 1      -3  -15   29 o    6.480000      0.3359000       6.101000 0.4598000       6.858000      0.4898000     -0.7579000      0.6718000
  1 1 1      -3  -15   30 o    5.588000      0.3818000       5.620000 0.5100000       5.557000      0.5684000      0.6357000E-01  0.7637000
  1 1 1      -3  -15   31 o    6.703000      0.3375000       6.535000 0.4488000       6.872000      0.5042000     -0.3370000      0.6750000
  1 1 1      -3  -15   32 o    2.911000      0.5453000       1.824000 0.7824000       3.998000      0.7598000      -2.174000       1.091000
  1 1 1      -3  -15   33 o    2.791000      0.6036000       3.279000 0.8300000       2.302000      0.8765000      0.9768000       1.207000
  1 1 1      -3  -15   34 o    3.403000      0.5906000       2.961000 0.8774000       3.846000      0.7908000     -0.8844000       1.181000
  1 1 1      -3  -14    1 o    9.667000      0.1819000       9.674000 0.2710000       9.660000      0.2427000      0.1388000E-01  0.3638000
  1 1 1      -3  -14    2 o    5.677000      0.1571000       5.704000 0.2319000       5.649000      0.2121000      0.5442000E-01  0.3143000
  1 1 1      -3  -14    3 o    11.84000      0.1833000       11.74000 0.2617000       11.93000      0.2568000     -0.1947000      0.3667000
  1 1 1      -3  -14    4 o    10.54000      0.1663000       10.41000 0.2356000       10.66000      0.2349000     -0.2455000      0.3327000
  1 1 1      -3  -14    5 o    5.775000      0.1426000       5.889000 0.2081000       5.660000      0.1949000      0.2292000      0.2851000
  1 1 1      -3  -14    6 o    7.748000      0.1510000       7.866000 0.2178000       7.630000      0.2092000      0.2358000      0.3020000
  1 1 1      -3  -14    7 o    9.460000      0.1671000       9.460000 0.2389000       9.459000      0.2338000      0.8907000E-03  0.3342000
  1 1 1      -3  -14    8 o    10.65000      0.1783000       10.86000 0.2533000       10.45000      0.2508000      0.4096000      0.3565000
  1 1 1      -3  -14    9 o    9.517000      0.1709000       9.747000 0.2431000       9.286000      0.2402000      0.4610000      0.3418000
  1 1 1      -3  -14   10 o    4.725000      0.1890000       4.760000 0.2595000       4.689000      0.2749000      0.7143000E-01  0.3780000
  1 1 1      -3  -14   11 o    2.295000      0.3693000       2.173000 0.5283000       2.418000      0.5161000     -0.2449000      0.7385000
  1 1 1      -3  -14   12 o    4.341000      0.2305000       4.339000 0.3293000       4.343000      0.3226000     -0.4350000E-02  0.4610000
  1 1 1      -3  -14   13 o    5.963000      0.1951000       5.595000 0.2854000       6.332000      0.2661000     -0.7368000      0.3903000
  1 1 1      -3  -14   14 o    2.647000      0.3757000       2.727000 0.5136000       2.567000      0.5486000      0.1602000      0.7515000
  1 1 1      -3  -14   15 o    2.981000      0.3509000       2.986000 0.4736000       2.975000      0.5179000      0.1149000E-01  0.7018000
  1 1 1      -3  -14   16 o    4.741000      0.2578000       4.636000 0.3690000       4.846000      0.3601000     -0.2093000      0.5156000
  1 1 1      -3  -14   17 o    4.343000      0.2784000       4.393000 0.3814000       4.293000      0.4057000      0.9987000E-01  0.5569000
  1 1 1      -3  -14   18 o    5.937000      0.2337000       5.378000 0.3404000       6.496000      0.3202000      -1.118000      0.4673000
  1 1 1      -3  -14   19 o    6.577000      0.2316000       6.590000 0.3235000       6.563000      0.3315000      0.2647000E-01  0.4632000
  1 1 1      -3  -14   20 f    3.091000      0.6346000       3.002000 0.9718000       3.179000      0.8164000     -0.1765000       1.269000
  1 1 1      -3  -14   21 o    3.159000      0.6622000       3.771000 1.003000       2.546000      0.8647000       1.225000       1.324000
  1 1 1      -3  -14   22 o    9.562000      0.2718000       9.662000 0.3062000       9.462000      0.4491000      0.1992000      0.5436000
  1 1 1      -3  -14   23 o    7.187000      0.2515000       7.130000 0.3466000       7.245000      0.3645000     -0.1147000      0.5030000
  1 1 1      -3  -14   24 o    4.660000      0.3459000       4.998000 0.4513000       4.322000      0.5244000      0.6765000      0.6919000
  1 1 1      -3  -14   25 o    11.44000      0.3248000       11.19000 0.4315000       11.69000      0.4856000     -0.4960000      0.6496000
  1 1 1      -3  -14   26 o    10.52000      0.3369000       10.40000 0.4311000       10.63000      0.5179000     -0.2290000      0.6739000
  1 1 1      -3  -14   27 o    7.991000      0.2836000       7.711000 0.4046000       8.271000      0.3975000     -0.5596000      0.5672000
  1 1 1      -3  -14   28 o    6.298000      0.3203000       6.355000 0.4420000       6.241000      0.4637000      0.1141000      0.6406000
  1 1 1      -3  -14   29 o    5.494000      0.3596000       5.398000 0.4923000       5.590000      0.5242000     -0.1918000      0.7191000
  1 1 1      -3  -14   30 o    4.818000      0.4239000       4.821000 0.5733000       4.814000      0.6248000      0.6351000E-02  0.8479000
  1 1 1      -3  -14   31 o    4.851000      0.4537000       5.398000 0.5239000       4.304000      0.7408000       1.093000      0.9073000
  1 1 1      -3  -14   32 o    3.759000      0.5592000       4.122000 0.6936000       3.396000      0.8774000      0.7260000       1.118000
  1 1 1      -3  -14   33 o    5.846000      0.3856000       5.342000 0.5915000       6.351000      0.4950000      -1.010000      0.7713000
  1 1 1      -3  -14   34 o    2.877000      0.6122000       3.315000 0.8326000       2.440000      0.8977000      0.8754000       1.224000
  1 1 1      -3  -14   35 o    1.934000      0.5771000       1.797000 0.7752000       2.071000      0.8551000     -0.2737000       1.154000
  1 1 1      -3  -13    1 o    19.18000      0.2706000       19.28000 0.3889000       19.09000      0.3765000      0.1905000      0.5413000
  1 1 1      -3  -13    2 o    11.30000      0.1771000       11.58000 0.2596000       11.02000      0.2410000      0.5592000      0.3542000
  1 1 1      -3  -13    3 o    23.34000      0.3189000       23.33000 0.4515000       23.36000      0.4504000     -0.3099000E-01  0.6378000
  1 1 1      -3  -13    4 o    4.530000      0.1507000       4.714000 0.2147000       4.346000      0.2117000      0.3677000      0.3015000
  1 1 1      -3  -13    5 o    7.868000      0.1467000       7.780000 0.2079000       7.956000      0.2071000     -0.1758000      0.2934000
  1 1 1      -3  -13    6 o    15.11000      0.2187000       15.23000 0.3120000       14.98000      0.3065000      0.2445000      0.4374000
  1 1 1      -3  -13    7 o    12.35000      0.1904000       12.41000 0.2711000       12.29000      0.2673000      0.1216000      0.3807000
  1 1 1      -3  -13    8 o    13.79000      0.2076000       13.65000 0.2908000       13.93000      0.2962000     -0.2812000      0.4151000
  1 1 1      -3  -13    9 o    8.119000      0.1635000       8.058000 0.2297000       8.180000      0.2327000     -0.1219000      0.3269000
  1 1 1      -3  -13   10 o    4.682000      0.2041000       4.644000 0.3003000       4.721000      0.2764000     -0.7760000E-01  0.4081000
  1 1 1      -3  -13   11 o    7.288000      0.1738000       7.196000 0.2449000       7.381000      0.2465000     -0.1855000      0.3475000
  1 1 1      -3  -13   12 o    9.387000      0.1846000       9.366000 0.2598000       9.408000      0.2622000     -0.4191000E-01  0.3691000
  1 1 1      -3  -13   13 o    6.272000      0.1905000       6.462000 0.2627000       6.082000      0.2760000      0.3797000      0.3811000
  1 1 1      -3  -13   14 o    8.574000      0.2129000       8.358000 0.3344000       8.790000      0.2634000     -0.4327000      0.4257000
  1 1 1      -3  -13   15 o    2.050000      0.4033000       1.437000 0.5794000       2.662000      0.5611000      -1.225000      0.8066000
  1 1 1      -3  -13   16 o    5.298000      0.2360000       5.305000 0.3354000       5.290000      0.3320000      0.1576000E-01  0.4719000
  1 1 1      -3  -13   17 o    3.931000      0.3077000       4.036000 0.4145000       3.825000      0.4548000      0.2105000      0.6154000
  1 1 1      -3  -13   18 o    4.124000      0.3037000       4.388000 0.3859000       3.860000      0.4690000      0.5287000      0.6074000
  1 1 1      -3  -13   19 o    7.358000      0.2158000       7.248000 0.2949000       7.469000      0.3151000     -0.2212000      0.4315000
  1 1 1      -3  -13   20 o    2.001000      0.4568000       1.390000 0.6015000       2.612000      0.6875000      -1.222000      0.9135000
  1 1 1      -3  -13   21 o    12.05000      0.2273000       12.18000 0.3201000       11.92000      0.3228000      0.2542000      0.4546000
  1 1 1      -3  -13   22 o    12.40000      0.3454000       12.46000 0.5174000       12.34000      0.4576000      0.1267000      0.6907000
  1 1 1      -3  -13   23 o    5.298000      0.4798000       5.594000 0.7235000       5.002000      0.6303000      0.5921000      0.9595000
  1 1 1      -3  -13   24 o    8.160000      0.2416000       8.255000 0.3325000       8.064000      0.3507000      0.1910000      0.4832000
  1 1 1      -3  -13   25 o    5.960000      0.2899000       5.738000 0.4103000       6.182000      0.4097000     -0.4445000      0.5798000
  1 1 1      -3  -13   26 o    5.574000      0.4347000       6.070000 0.5018000       5.077000      0.7099000      0.9930000      0.8694000
  1 1 1      -3  -13   27 o    10.30000      0.3404000       10.23000 0.4404000       10.38000      0.5190000     -0.1516000      0.6807000
  1 1 1      -3  -13   28 o    8.359000      0.2759000       8.058000 0.3892000       8.660000      0.3912000     -0.6021000      0.5518000
  1 1 1      -3  -13   29 o    4.779000      0.4083000       5.018000 0.5316000       4.540000      0.6198000      0.4781000      0.8165000
  1 1 1      -3  -13   30 o    6.393000      0.3436000       6.384000 0.4470000       6.401000      0.5219000     -0.1639000E-01  0.6872000
  1 1 1      -3  -13   31 o    4.402000      0.4975000       4.146000 0.6910000       4.658000      0.7160000     -0.5121000      0.9951000
  1 1 1      -3  -13   32 o    6.263000      0.3677000       6.362000 0.4929000       6.165000      0.5456000      0.1973000      0.7353000
  1 1 1      -3  -13   33 o    5.168000      0.4285000       5.001000 0.6131000       5.335000      0.5988000     -0.3337000      0.8570000
  1 1 1      -3  -13   34 o    2.988000      0.6120000       2.569000 0.8510000       3.407000      0.8797000     -0.8376000       1.224000
  1 1 1      -3  -13   35 o    2.048000      0.5965000       1.998000 0.8316000       2.099000      0.8555000     -0.1014000       1.193000
  1 1 1      -3  -12    1 o    3.829000      0.1654000       3.765000 0.2476000       3.892000      0.2194000     -0.1267000      0.3308000
  1 1 1      -3  -12    2 o    7.670000      0.1424000       7.719000 0.2089000       7.621000      0.1936000      0.9737000E-01  0.2848000
  1 1 1      -3  -12    3 o    18.97000      0.2622000       19.44000 0.3799000       18.51000      0.3616000      0.9269000      0.5244000
  1 1 1      -3  -12    4 o    26.44000      0.3594000       26.82000 0.5153000       26.05000      0.5011000      0.7713000      0.7188000
  1 1 1      -3  -12    5 o    5.323000      0.1463000       5.430000 0.2070000       5.215000      0.2068000      0.2155000      0.2926000
  1 1 1      -3  -12    6 f    10.83000      0.1742000       10.91000 0.2495000       10.75000      0.2432000      0.1659000      0.3484000
  1 1 1      -3  -12    7 o    12.89000      0.1957000       12.91000 0.2775000       12.88000      0.2759000      0.3289000E-01  0.3913000
  1 1 1      -3  -12    8 o    13.54000      0.2061000       13.70000 0.2944000       13.38000      0.2885000      0.3196000      0.4122000
  1 1 1      -3  -12    9 o    11.97000      0.1925000       12.05000 0.2744000       11.90000      0.2700000      0.1503000      0.3850000
  1 1 1      -3  -12   10 o    9.347000      0.1748000       9.541000 0.2488000       9.153000      0.2455000      0.3881000      0.3495000
  1 1 1      -3  -12   11 o    5.124000      0.1974000       5.297000 0.2665000       4.951000      0.2912000      0.3452000      0.3948000
  1 1 1      -3  -12   12 o    9.438000      0.1855000       9.447000 0.2605000       9.429000      0.2643000      0.1852000E-01  0.3711000
  1 1 1      -3  -12   13 o    4.111000      0.2474000       4.261000 0.3283000       3.960000      0.3702000      0.3015000      0.4948000
  1 1 1      -3  -12   14 f    9.490000      0.2264000       9.440000 0.2712000       9.540000      0.3626000     -0.9976000E-01  0.4528000
  1 1 1      -3  -12   15 o    9.260000      0.1930000       9.379000 0.2735000       9.142000      0.2724000      0.2367000      0.3860000
  1 1 1      -3  -12   16 o    13.24000      0.2174000       13.11000 0.3013000       13.38000      0.3134000     -0.2717000      0.4348000
  1 1 1      -3  -12   17 o    9.091000      0.2007000       8.817000 0.2824000       9.365000      0.2853000     -0.5482000      0.4014000
  1 1 1      -3  -12   18 o    3.507000      0.3709000       4.059000 0.4243000       2.955000      0.6085000       1.103000      0.7418000
  1 1 1      -3  -12   19 o    3.777000      0.3505000       4.303000 0.3985000       3.251000      0.5766000       1.051000      0.7010000
  1 1 1      -3  -12   20 o    7.127000      0.2262000       6.723000 0.3166000       7.530000      0.3230000     -0.8076000      0.4523000
  1 1 1      -3  -12   21 o    13.71000      0.2395000       13.57000 0.3356000       13.84000      0.3418000     -0.2725000      0.4790000
  1 1 1      -3  -12   22 o    8.411000      0.2298000       8.532000 0.3168000       8.289000      0.3331000      0.2424000      0.4597000
  1 1 1      -3  -12   23 o    14.06000      0.3608000       14.38000 0.5348000       13.74000      0.4845000      0.6420000      0.7216000
  1 1 1      -3  -12   24 o    8.311000      0.3817000       8.061000 0.5975000       8.561000      0.4752000     -0.5000000      0.7635000
  1 1 1      -3  -12   25 o    4.299000      0.3742000       4.253000 0.5059000       4.344000      0.5514000     -0.9153000E-01  0.7483000
  1 1 1      -3  -12   26 o    4.989000      0.3443000       4.902000 0.4840000       5.077000      0.4899000     -0.1748000      0.6886000
  1 1 1      -3  -12   27 o    10.91000      0.3404000       10.61000 0.4437000       11.21000      0.5164000     -0.6063000      0.6809000
  1 1 1      -3  -12   29 o    7.749000      0.2921000       7.585000 0.4157000       7.913000      0.4105000     -0.3277000      0.5842000
  1 1 1      -3  -12   30 o    5.925000      0.3668000       5.812000 0.5092000       6.038000      0.5282000     -0.2260000      0.7337000
  1 1 1      -3  -12   31 o    2.564000      0.6249000       2.206000 0.8534000       2.921000      0.9132000     -0.7148000       1.250000
  1 1 1      -3  -12   32 o    2.641000      0.6230000       2.740000 0.8711000       2.542000      0.8908000      0.1984000       1.246000
  1 1 1      -3  -12   33 o    2.718000      0.6381000       2.509000 0.8828000       2.928000      0.9215000     -0.4189000       1.276000
  1 1 1      -3  -12   34 o    2.943000      0.6135000       2.419000 0.8753000       3.467000      0.8598000      -1.048000       1.227000
  1 1 1      -3  -12   35 o    2.734000      0.6012000       3.265000 0.8231000       2.203000      0.8765000       1.061000       1.202000
  1 1 1      -3  -12   36 o    1.579000      0.5186000       1.697000 0.7704000       1.461000      0.6945000      0.2361000       1.037000
  1 1 1      -3  -11    1 o    25.21000      0.4870000       26.30000 0.7203000       24.12000      0.6555000       2.182000      0.9739000
  1 1 1      -3  -11    2 f    1.177000      0.3276000      0.8935000 0.4123000       1.460000      0.5093000     -0.5661000      0.6552000
  1 1 1      -3  -11    3 o    31.87000      0.6070000       32.65000 0.8793000       31.09000      0.8371000       1.566000       1.214000
  1 1 1      -3  -11    4 o    10.58000      0.1641000       10.68000 0.2343000       10.49000      0.2299000      0.1846000      0.3283000
  1 1 1      -3  -11    5 o    12.51000      0.1882000       12.44000 0.2653000       12.58000      0.2671000     -0.1436000      0.3764000
  1 1 1      -3  -11    6 o    16.61000      0.2372000       16.24000 0.3295000       16.99000      0.3414000     -0.7449000      0.4745000
  1 1 1      -3  -11    7 o    10.42000      0.1726000       10.39000 0.2443000       10.46000      0.2439000     -0.6697000E-01  0.3452000
  1 1 1      -3  -11    8 o    16.17000      0.2354000       16.21000 0.3345000       16.14000      0.3313000      0.7206000E-01  0.4708000
  1 1 1      -3  -11    9 o    12.42000      0.1963000       12.22000 0.2745000       12.63000      0.2806000     -0.4071000      0.3926000
  1 1 1      -3  -11   10 o    9.626000      0.1774000       9.507000 0.2515000       9.746000      0.2503000     -0.2389000      0.3549000
  1 1 1      -3  -11   11 o    5.335000      0.1896000       5.376000 0.2597000       5.294000      0.2763000      0.8173000E-01  0.3791000
  1 1 1      -3  -11   12 f    12.79000      0.2060000       12.95000 0.2936000       12.63000      0.2891000      0.3199000      0.4120000
  1 1 1      -3  -11   13 o    8.648000      0.1873000       8.455000 0.2637000       8.842000      0.2660000     -0.3871000      0.3745000
  1 1 1      -3  -11   14 o    7.108000      0.2726000       7.108000 0.2726000                  ?              ?              ?              ?
  1 1 1      -3  -11   15 o    12.60000      0.2126000       12.59000 0.3002000       12.62000      0.3012000     -0.2569000E-01  0.4253000
  1 1 1      -3  -11   16 f    11.12000      0.2878000                  ?       ?   11.12000      0.2878000                  ?              ?
  1 1 1      -3  -11   17 o    4.745000      0.2600000       4.416000 0.3808000       5.073000      0.3541000     -0.6567000      0.5200000
  1 1 1      -3  -11   18 o    10.57000      0.2114000       10.61000 0.2989000       10.53000      0.2992000      0.7516000E-01  0.4229000
  1 1 1      -3  -11   19 o    5.297000      0.2525000       5.074000 0.3606000       5.519000      0.3534000     -0.4452000      0.5049000
  1 1 1      -3  -11   20 o    2.023000      0.4815000       2.249000 0.6647000       1.797000      0.6968000      0.4519000      0.9630000
  1 1 1      -3  -11   21 o    6.636000      0.2383000       6.543000 0.3333000       6.729000      0.3408000     -0.1859000      0.4767000
  1 1 1      -3  -11   22 f    13.36000      0.2382000       13.26000 0.3345000       13.45000      0.3393000     -0.1903000      0.4765000
  1 1 1      -3  -11   23 o    10.17000      0.2288000       10.39000 0.3186000       9.951000      0.3285000      0.4408000      0.4577000
  1 1 1      -3  -11   24 o    7.719000      0.2456000       8.112000 0.3351000       7.327000      0.3591000      0.7849000      0.4912000
  1 1 1      -3  -11   25 o    4.882000      0.5330000       4.710000 0.8644000       5.053000      0.6239000     -0.3425000       1.066000
  1 1 1      -3  -11   26 o    7.353000      0.2632000       7.337000 0.3692000       7.370000      0.3753000     -0.3230000E-01  0.5265000
  1 1 1      -3  -11   27 o    7.972000      0.2646000       7.773000 0.3735000       8.171000      0.3749000     -0.3973000      0.5292000
  1 1 1      -3  -11   28 o    14.18000      0.3643000       13.93000 0.4877000       14.43000      0.5413000     -0.4917000      0.7286000
  1 1 1      -3  -11   29 o    9.674000      0.3672000       9.451000 0.4727000       9.898000      0.5620000     -0.4474000      0.7344000
  1 1 1      -3  -11   30 o    3.339000      0.5877000       2.925000 0.8368000       3.754000      0.8253000     -0.8294000       1.175000
  1 1 1      -3  -11   31 o    2.621000      0.6129000       2.020000 0.8167000       3.222000      0.9141000      -1.202000       1.226000
  1 1 1      -3  -11   32 o    3.072000      0.6293000       2.956000 0.8684000       3.188000      0.9112000     -0.2320000       1.259000
  1 1 1      -3  -11   33 o    3.212000      0.6011000       3.292000 0.8414000       3.132000      0.8586000      0.1598000       1.202000
  1 1 1      -3  -11   34 o    1.681000      0.5384000       1.778000 0.7909000       1.584000      0.7308000      0.1945000       1.077000
  1 1 1      -3  -11   35 f    2.123000      0.6004000       1.913000 0.8195000       2.334000      0.8776000     -0.4205000       1.201000
  1 1 1      -3  -11   36 o    3.423000      0.5689000       4.028000 0.6908000       2.818000      0.9041000       1.210000       1.138000
  1 1 1      -3  -10    1 o    16.08000      0.2238000       16.03000 0.3164000       16.13000      0.3165000     -0.1005000      0.4476000
  1 1 1      -3  -10    2 o    29.96000      0.4039000       30.59000 0.5834000       29.34000      0.5588000       1.248000      0.8079000
  1 1 1      -3  -10    3 o    37.77000      0.5069000       37.97000 0.7206000       37.57000      0.7131000      0.3971000       1.014000
  1 1 1      -3  -10    4 f    8.436000      0.2020000       8.343000 0.2789000       8.530000      0.2922000     -0.1868000      0.4040000
  1 1 1      -3  -10    5 o    17.97000      0.3544000       17.78000 0.4951000       18.15000      0.5071000     -0.3698000      0.7087000
  1 1 1      -3  -10    6 o    16.85000      0.3372000       16.58000 0.4686000       17.13000      0.4851000     -0.5514000      0.6745000
  1 1 1      -3  -10    7 o    16.55000      0.3330000       16.82000 0.4758000       16.28000      0.4660000      0.5374000      0.6659000
  1 1 1      -3  -10    8 o    8.774000      0.1936000       8.670000 0.3080000       8.877000      0.2347000     -0.2076000      0.3872000
  1 1 1      -3  -10    9 o    9.963000      0.1754000       9.962000 0.2488000       9.965000      0.2475000     -0.2456000E-02  0.3509000
  1 1 1      -3  -10   10 o    2.594000      0.3038000       2.573000 0.4177000       2.616000      0.4412000     -0.4364000E-01  0.6076000
  1 1 1      -3  -10   11 o    6.867000      0.1752000       6.725000 0.2419000       7.008000      0.2534000     -0.2823000      0.3503000
  1 1 1      -3  -10   12 o    3.978000      0.2322000       3.933000 0.3132000       4.024000      0.3430000     -0.9054000E-01  0.4644000
  1 1 1      -3  -10   13 o    5.449000      0.1985000       5.416000 0.2748000       5.482000      0.2866000     -0.6553000E-01  0.3970000
  1 1 1      -3  -10   14 f    2.359000      0.3616000       2.749000 0.4633000       1.968000      0.5554000      0.7812000      0.7232000
  1 1 1      -3  -10   15 o    2.471000      0.3921000       2.838000 0.4973000       2.103000      0.6064000      0.7347000      0.7842000
  1 1 1      -3  -10   16 o    3.421000      0.3018000       3.404000 0.3711000       3.438000      0.4760000     -0.3358000E-01  0.6035000
  1 1 1      -3  -10   17 o    8.475000      0.2038000       8.428000 0.2901000       8.523000      0.2864000     -0.9521000E-01  0.4077000
  1 1 1      -3  -10   18 o    9.965000      0.2071000       10.01000 0.2920000       9.924000      0.2939000      0.8308000E-01  0.4142000
  1 1 1      -3  -10   19 o    9.597000      0.2089000       9.608000 0.2940000       9.587000      0.2968000      0.2092000E-01  0.4178000
  1 1 1      -3  -10   20 o    13.40000      0.2333000       13.23000 0.3258000       13.57000      0.3339000     -0.3452000      0.4665000
  1 1 1      -3  -10   21 o    3.551000      0.3774000       3.170000 0.5753000       3.932000      0.4885000     -0.7615000      0.7547000
  1 1 1      -3  -10   22 o    15.03000      0.2515000       14.94000 0.3570000       15.13000      0.3543000     -0.1857000      0.5030000
  1 1 1      -3  -10   23 o    5.322000      0.3029000       6.055000 0.3726000       4.589000      0.4778000       1.465000      0.6059000
  1 1 1      -3  -10   24 o    10.83000      0.2280000       10.84000 0.3238000       10.82000      0.3212000      0.1176000E-01  0.4561000
  1 1 1      -3  -10   25 o    6.535000      0.3726000       6.836000 0.6286000       6.234000      0.4003000      0.6026000      0.7452000
  1 1 1      -3  -10   26 o    1.959000      0.6063000       2.365000 0.9734000       1.552000      0.7231000      0.8121000       1.213000
  1 1 1      -3  -10   27 o    14.74000      0.2648000       14.54000 0.3715000       14.95000      0.3774000     -0.4090000      0.5295000
  1 1 1      -3  -10   28 o    10.97000      0.2553000       10.95000 0.3581000       11.00000      0.3640000     -0.5429000E-01  0.5106000
  1 1 1      -3  -10   29 f    3.857000      0.6549000       4.094000 0.7648000       3.620000       1.063000      0.4742000       1.310000
  1 1 1      -3  -10   30 o    3.316000      0.6918000       3.395000 0.9017000       3.237000       1.049000      0.1580000       1.384000
  1 1 1      -3  -10   31 o    4.368000      0.4923000       3.699000 0.7806000       5.037000      0.6001000      -1.338000      0.9847000
  1 1 1      -3  -10   32 o    3.754000      0.5560000       3.426000 0.8030000       4.082000      0.7694000     -0.6563000       1.112000
  1 1 1      -3  -10   33 o    2.844000      0.6458000       2.906000 0.8765000       2.783000      0.9486000      0.1236000       1.292000
  1 1 1      -3  -10   34 o    3.701000      0.5615000       3.270000 0.8499000       4.132000      0.7340000     -0.8625000       1.123000
  1 1 1      -3  -10   35 o    2.669000      0.6148000       2.268000 0.8660000       3.071000      0.8729000     -0.8029000       1.230000
  1 1 1      -3  -10   36 o    2.199000      0.6021000       2.471000 0.8767000       1.926000      0.8257000      0.5452000       1.204000
  1 1 1      -3   -9    1 o    5.709000      0.1706000       5.470000 0.2490000       5.948000      0.2332000     -0.4780000      0.3412000
  1 1 1      -3   -9    2 o    22.91000      0.4412000       22.39000 0.6105000       23.43000      0.6371000      -1.038000      0.8823000
  1 1 1      -3   -9    3 o    9.495000      0.2168000       9.749000 0.3137000       9.242000      0.2994000      0.5072000      0.4336000
  1 1 1      -3   -9    4 o    8.385000      0.1451000       8.459000 0.2069000       8.312000      0.2037000      0.1465000      0.2903000
  1 1 1      -3   -9    5 o    13.72000      0.2013000       13.69000 0.2843000       13.76000      0.2850000     -0.6691000E-01  0.4025000
  1 1 1      -3   -9    6 o    7.486000      0.1496000       7.446000 0.2118000       7.527000      0.2112000     -0.8135000E-01  0.2991000
  1 1 1      -3   -9    7 o    17.10000      0.2448000       16.99000 0.3452000       17.21000      0.3472000     -0.2132000      0.4896000
  1 1 1      -3   -9    8 o    7.260000      0.2119000       6.796000 0.2860000       7.723000      0.3128000     -0.9266000      0.4238000
  1 1 1      -3   -9    9 o    6.679000      0.2190000       6.881000 0.2934000       6.476000      0.3251000      0.4043000      0.4379000
  1 1 1      -3   -9   10 o    13.56000      0.2914000       13.46000 0.4049000       13.65000      0.4191000     -0.1913000      0.5827000
  1 1 1      -3   -9   11 f    7.501000      0.2283000       7.806000 0.3836000       7.195000      0.2477000      0.6105000      0.4567000
  1 1 1      -3   -9   12 o    10.73000      0.1878000       10.70000 0.2649000       10.76000      0.2661000     -0.5621000E-01  0.3755000
  1 1 1      -3   -9   13 o    2.857000      0.3275000       2.877000 0.4498000       2.837000      0.4762000      0.4029000E-01  0.6550000
  1 1 1      -3   -9   14 o    4.149000      0.2464000       4.102000 0.3387000       4.196000      0.3581000     -0.9389000E-01  0.4929000
  1 1 1      -3   -9   15 o    7.316000      0.1951000       7.580000 0.2710000       7.052000      0.2807000      0.5279000      0.3902000
  1 1 1      -3   -9   16 o    1.986000      0.4472000       2.131000 0.6310000       1.841000      0.6338000      0.2904000      0.8944000
  1 1 1      -3   -9   17 o    5.808000      0.2256000       5.742000 0.3179000       5.873000      0.3200000     -0.1311000      0.4511000
  1 1 1      -3   -9   18 o    10.19000      0.2076000       10.38000 0.2906000       9.992000      0.2965000      0.3885000      0.4151000
  1 1 1      -3   -9   19 o    10.09000      0.2099000       10.20000 0.2935000       9.969000      0.3002000      0.2328000      0.4199000
  1 1 1      -3   -9   20 o    5.473000      0.2565000       5.771000 0.3517000       5.176000      0.3735000      0.5948000      0.5130000
  1 1 1      -3   -9   21 o    14.25000      0.2402000       14.06000 0.3380000       14.43000      0.3415000     -0.3704000      0.4804000
  1 1 1      -3   -9   22 o    16.72000      0.2652000       16.52000 0.3725000       16.92000      0.3777000     -0.3929000      0.5305000
  1 1 1      -3   -9   23 o    3.878000      0.3638000       3.950000 0.4844000       3.805000      0.5428000      0.1456000      0.7275000
  1 1 1      -3   -9   24 o    5.448000      0.2945000       5.718000 0.4108000       5.179000      0.4222000      0.5384000      0.5891000
  1 1 1      -3   -9   25 o    13.03000      0.2425000       12.69000 0.3394000       13.37000      0.3464000     -0.6819000      0.4849000
  1 1 1      -3   -9   26 o    3.711000      0.6496000       3.777000 0.9698000       3.645000      0.8647000      0.1326000       1.299000
  1 1 1      -3   -9   27 o    3.823000      0.6386000       3.029000 1.040000       4.617000      0.7417000      -1.588000       1.277000
  1 1 1      -3   -9   28 o    9.130000      0.2563000       8.633000 0.3661000       9.627000      0.3588000     -0.9942000      0.5126000
  1 1 1      -3   -9   29 o    4.660000      0.4202000       4.302000 0.6378000       5.017000      0.5473000     -0.7149000      0.8405000
  1 1 1      -3   -9   30 o    5.425000      0.5092000       5.340000 0.6510000       5.510000      0.7833000     -0.1699000       1.018000
  1 1 1      -3   -9   31 o    6.171000      0.3544000       5.942000 0.4987000       6.399000      0.5037000     -0.4566000      0.7088000
  1 1 1      -3   -9   32 o    1.774000      0.5414000       1.339000 0.6473000       2.208000      0.8681000     -0.8694000       1.083000
  1 1 1      -3   -9   33 o    2.593000      0.6125000       3.040000 0.8677000       2.145000      0.8648000      0.8950000       1.225000
  1 1 1      -3   -9   34 o    3.139000      0.6042000       2.576000 0.8951000       3.702000      0.8119000      -1.126000       1.208000
  1 1 1      -3   -9   35 o    2.516000      0.6343000       2.547000 0.9004000       2.485000      0.8937000      0.6146000E-01   1.269000
  1 1 1      -3   -9   36 o    3.015000      0.6131000       3.071000 0.8622000       2.960000      0.8720000      0.1115000       1.226000
  1 1 1      -3   -9   37 o    2.302000      0.6118000       2.326000 0.8756000       2.279000      0.8548000      0.4775000E-01   1.224000
  1 1 1      -3   -8    1 o    25.56000      0.4258000       24.99000 0.4774000       26.14000      0.7052000      -1.145000      0.8516000
  1 1 1      -3   -8    2 o    7.238000      0.1282000       7.117000 0.1806000       7.360000      0.1819000     -0.2434000      0.2563000
  1 1 1      -3   -8    3 f    15.59000      0.2193000       15.57000 0.3098000       15.61000      0.3104000     -0.3795000E-01  0.4386000
  1 1 1      -3   -8    4 o    10.20000      0.1596000       10.34000 0.2270000       10.07000      0.2244000      0.2648000      0.3192000
  1 1 1      -3   -8    5 o    11.64000      0.2519000       11.79000 0.3631000       11.48000      0.3493000      0.3047000      0.5039000
  1 1 1      -3   -8    6 o    12.80000      0.2731000       12.80000 0.3898000       12.81000      0.3827000     -0.8024000E-02  0.5463000
  1 1 1      -3   -8    7 f    14.50000      0.3030000       15.15000 0.4469000       13.84000      0.4093000       1.309000      0.6061000
  1 1 1      -3   -8    8 o    6.363000      0.1558000       6.193000 0.2205000       6.533000      0.2203000     -0.3397000      0.3117000
  1 1 1      -3   -8    9 o    14.03000      0.2117000       14.22000 0.3019000       13.85000      0.2969000      0.3737000      0.4234000
  1 1 1      -3   -8   10 o    25.15000      0.4898000       25.82000 0.7083000       24.47000      0.6767000       1.353000      0.9797000
  1 1 1      -3   -8   11 o    9.470000      0.2449000       9.493000 0.3377000       9.446000      0.3547000      0.4761000E-01  0.4897000
  1 1 1      -3   -8   12 o    10.08000      0.2540000       10.02000 0.3508000       10.13000      0.3675000     -0.1086000      0.5080000
  1 1 1      -3   -8   13 o    5.768000      0.1913000       5.500000 0.2700000       6.037000      0.2711000     -0.5376000      0.3826000
  1 1 1      -3   -8   14 o    10.78000      0.1941000       10.75000 0.2750000       10.81000      0.2740000     -0.6392000E-01  0.3882000
  1 1 1      -3   -8   15 o    8.995000      0.1892000       9.061000 0.2658000       8.929000      0.2694000      0.1324000      0.3785000
  1 1 1      -3   -8   16 f    9.914000      0.1966000       10.01000 0.2789000       9.822000      0.2771000      0.1831000      0.3931000
  1 1 1      -3   -8   17 o    13.74000      0.2271000       13.89000 0.3232000       13.59000      0.3191000      0.3059000      0.4541000
  1 1 1      -3   -8   18 o    10.34000      0.2051000       10.47000 0.2925000       10.21000      0.2877000      0.2638000      0.4103000
  1 1 1      -3   -8   19 o    6.273000      0.2299000       6.447000 0.3211000       6.098000      0.3292000      0.3495000      0.4599000
  1 1 1      -3   -8   20 o    7.579000      0.2203000       7.522000 0.3110000       7.635000      0.3120000     -0.1134000      0.4405000
  1 1 1      -3   -8   21 o    16.23000      0.2590000       16.05000 0.3648000       16.40000      0.3678000     -0.3543000      0.5180000
  1 1 1      -3   -8   22 o    9.141000      0.2232000       9.327000 0.3150000       8.955000      0.3162000      0.3717000      0.4463000
  1 1 1      -3   -8   23 o    11.93000      0.2303000       11.85000 0.3245000       12.01000      0.3268000     -0.1576000      0.4606000
  1 1 1      -3   -8   24 o    5.645000      0.2808000       5.723000 0.3831000       5.567000      0.4108000      0.1562000      0.5617000
  1 1 1      -3   -8   25 o    7.402000      0.2468000       7.530000 0.3419000       7.274000      0.3561000      0.2559000      0.4937000
  1 1 1      -3   -8   26 o    8.378000      0.2469000       8.622000 0.3439000       8.134000      0.3544000      0.4875000      0.4938000
  1 1 1      -3   -8   27 o    6.677000      0.4175000       6.248000 0.6557000       7.106000      0.5168000     -0.8576000      0.8349000
  1 1 1      -3   -8   28 o    7.934000      0.2584000       7.882000 0.3629000       7.987000      0.3679000     -0.1054000      0.5168000
  1 1 1      -3   -8   29 o    5.717000      0.3446000       5.750000 0.4856000       5.684000      0.4890000      0.6546000E-01  0.6891000
  1 1 1      -3   -8   30 o    4.654000      0.5810000       4.088000 0.7998000       5.221000      0.8429000      -1.133000       1.162000
  1 1 1      -3   -8   31 o    5.023000      0.5752000       4.421000 0.7980000       5.624000      0.8286000      -1.203000       1.150000
  1 1 1      -3   -8   32 o    6.816000      0.3380000       6.324000 0.4952000       7.307000      0.4600000     -0.9823000      0.6759000
  1 1 1      -3   -8   33 o    3.192000      0.6093000       2.781000 0.8981000       3.604000      0.8236000     -0.8230000       1.219000
  1 1 1      -3   -8   34 f    3.622000      0.5891000       3.678000 0.8330000       3.566000      0.8333000      0.1119000       1.178000
  1 1 1      -3   -8   35 o    2.834000      0.6370000       2.684000 0.9119000       2.984000      0.8896000     -0.3006000       1.274000
  1 1 1      -3   -8   36 o    2.176000      0.6079000       2.371000 0.8837000       1.982000      0.8350000      0.3895000       1.216000
  1 1 1      -3   -8   37 o    2.168000      0.5997000       1.958000 0.8250000       2.378000      0.8706000     -0.4204000       1.199000
  1 1 1      -3   -7    1 o    18.02000      0.2468000       18.12000 0.3511000       17.91000      0.3469000      0.2147000      0.4936000
  1 1 1      -3   -7    2 o    24.49000      0.3320000       24.67000 0.4731000       24.30000      0.4660000      0.3724000      0.6640000
  1 1 1      -3   -7    3 o    6.088000      0.1275000       6.000000 0.1793000       6.175000      0.1813000     -0.1747000      0.2550000
  1 1 1      -3   -7    4 o    19.91000      0.2752000       19.87000 0.3881000       19.94000      0.3902000     -0.7452000E-01  0.5503000
  1 1 1      -3   -7    5 o    13.71000      0.1997000       13.94000 0.2860000       13.48000      0.2788000      0.4555000      0.3994000
  1 1 1      -3   -7    6 o    15.66000      0.2242000       15.67000 0.3174000       15.65000      0.3169000      0.1704000E-01  0.4485000
  1 1 1      -3   -7    7 o    19.97000      0.3950000       20.46000 0.5723000       19.48000      0.5447000      0.9758000      0.7900000
  1 1 1      -3   -7    8 o    16.30000      0.3329000       16.62000 0.4804000       15.98000      0.4611000      0.6406000      0.6659000
  1 1 1      -3   -7    9 o    11.11000      0.2564000       10.93000 0.3648000       11.29000      0.3605000     -0.3692000      0.5129000
  1 1 1      -3   -7   10 o    19.32000      0.2736000       19.41000 0.3883000       19.24000      0.3855000      0.1693000      0.5472000
  1 1 1      -3   -7   11 o    14.03000      0.2141000       13.75000 0.2990000       14.31000      0.3065000     -0.5675000      0.4282000
  1 1 1      -3   -7   12 o    10.34000      0.2551000       10.46000 0.3581000       10.23000      0.3634000      0.2274000      0.5102000
  1 1 1      -3   -7   13 f    16.81000      0.3497000       17.25000 0.5006000       16.38000      0.4883000      0.8650000      0.6993000
  1 1 1      -3   -7   14 o    2.018000      0.4085000       1.984000 0.5709000       2.052000      0.5843000     -0.6786000E-01  0.8169000
  1 1 1      -3   -7   15 o    8.634000      0.2627000       8.634000 0.2627000                  ?              ?              ?              ?
  1 1 1      -3   -7   16 o    10.49000      0.1989000       10.74000 0.2841000       10.24000      0.2783000      0.4976000      0.3977000
  1 1 1      -3   -7   17 o    1.477000      0.6027000                  ?       ?   1.477000      0.6027000                  ?              ?
  1 1 1      -3   -7   18 o    7.858000      0.2042000       7.822000 0.2888000       7.894000      0.2888000     -0.7257000E-01  0.4084000
  1 1 1      -3   -7   19 o    5.067000      0.2533000       5.172000 0.3512000       4.963000      0.3652000      0.2087000      0.5066000
  1 1 1      -3   -7   20 o    4.104000      0.3093000       4.269000 0.4201000       3.939000      0.4540000      0.3308000      0.6185000
  1 1 1      -3   -7   21 o    8.853000      0.2160000       8.998000 0.3049000       8.708000      0.3060000      0.2906000      0.4320000
  1 1 1      -3   -7   22 o    10.83000      0.2223000       10.81000 0.3151000       10.85000      0.3136000     -0.3769000E-01  0.4446000
  1 1 1      -3   -7   23 o    13.75000      0.2403000       13.54000 0.3369000       13.97000      0.3427000     -0.4373000      0.4806000
  1 1 1      -3   -7   24 o    5.884000      0.2728000       5.872000 0.3746000       5.896000      0.3968000     -0.2478000E-01  0.5457000
  1 1 1      -3   -7   25 o    6.107000      0.2709000       5.982000 0.3793000       6.232000      0.3870000     -0.2495000      0.5419000
  1 1 1      -3   -7   26 o    8.948000      0.2416000       8.991000 0.3425000       8.904000      0.3408000      0.8740000E-01  0.4832000
  1 1 1      -3   -7   27 o    5.546000      0.4688000       5.635000 0.7180000       5.457000      0.6030000      0.1784000      0.9376000
  1 1 1      -3   -7   28 o    6.060000      0.4466000       6.211000 0.6771000       5.908000      0.5825000      0.3037000      0.8932000
  1 1 1      -3   -7   29 o    3.144000      0.5313000       3.040000 0.7419000       3.248000      0.7608000     -0.2076000       1.063000
  1 1 1      -3   -7   30 o    8.702000      0.2785000       8.400000 0.3977000       9.004000      0.3899000     -0.6045000      0.5570000
  1 1 1      -3   -7   31 o    4.777000      0.5863000       4.912000 0.7078000       4.641000      0.9348000      0.2711000       1.173000
  1 1 1      -3   -7   32 o    5.665000      0.3846000       5.706000 0.5140000       5.624000      0.5721000      0.8230000E-01  0.7691000
  1 1 1      -3   -7   33 f    2.784000      0.5776000       3.611000 0.8091000       1.957000      0.8245000       1.654000       1.155000
  1 1 1      -3   -7   34 o    4.814000      0.4433000       4.970000 0.5930000       4.658000      0.6590000      0.3119000      0.8865000
  1 1 1      -3   -7   35 o    2.825000      0.6090000       2.538000 0.8765000       3.111000      0.8457000     -0.5734000       1.218000
  1 1 1      -3   -7   36 o    2.521000      0.6245000       2.668000 0.8955000       2.373000      0.8708000      0.2954000       1.249000
  1 1 1      -3   -7   37 o    1.730000      0.5371000       1.501000 0.7027000       1.960000      0.8126000     -0.4588000       1.074000
  1 1 1      -3   -6    1 o    32.56000      0.4370000       32.20000 0.6114000       32.91000      0.6245000     -0.7067000      0.8740000
  1 1 1      -3   -6    2 o    17.08000      0.2363000       17.36000 0.3393000       16.80000      0.3291000      0.5648000      0.4727000
  1 1 1      -3   -6    3 o    7.672000      0.1324000       7.790000 0.1882000       7.554000      0.1863000      0.2361000      0.2648000
  1 1 1      -3   -6    4 o    8.310000      0.1409000       8.114000 0.1973000       8.506000      0.2014000     -0.3917000      0.2819000
  1 1 1      -3   -6    5 f    22.04000      0.3026000       22.18000 0.4301000       21.89000      0.4258000      0.2874000      0.6052000
  1 1 1      -3   -6    6 o    8.098000      0.1461000       7.979000 0.2041000       8.217000      0.2092000     -0.2379000      0.2923000
  1 1 1      -3   -6    7 o    7.636000      0.1472000       7.684000 0.2081000       7.587000      0.2082000      0.9716000E-01  0.2943000
  1 1 1      -3   -6    8 o    10.38000      0.1704000       10.44000 0.2415000       10.32000      0.2406000      0.1233000      0.3409000
  1 1 1      -3   -6   10 o    17.77000      0.3606000       17.75000 0.5109000       17.79000      0.5090000     -0.3663000E-01  0.7212000
  1 1 1      -3   -6   11 o    15.72000      0.2320000       15.52000 0.3250000       15.93000      0.3312000     -0.4155000      0.4640000
  1 1 1      -3   -6   12 o    21.88000      0.3072000       22.41000 0.4433000       21.36000      0.4253000       1.046000      0.6144000
  1 1 1      -3   -6   13 o    23.51000      0.4632000       23.45000 0.6522000       23.56000      0.6578000     -0.1126000      0.9264000
  1 1 1      -3   -6   14 o    3.443000      0.3811000       3.473000 0.5027000       3.413000      0.5729000      0.5919000E-01  0.7622000
  1 1 1      -3   -6   15 o    6.873000      0.2674000       6.873000 0.2674000                  ?              ?              ?              ?
  1 1 1      -3   -6   16 o    4.658000      0.2386000       4.336000 0.3522000       4.979000      0.3222000     -0.6435000      0.4773000
  1 1 1      -3   -6   17 o    7.999000      0.2763000                  ?       ?   7.999000      0.2763000                  ?              ?
  1 1 1      -3   -6   18 o    13.61000      0.2257000       13.70000 0.3207000       13.52000      0.3176000      0.1837000      0.4514000
  1 1 1      -3   -6   19 o    3.843000      0.3068000       3.545000 0.4599000       4.140000      0.4063000     -0.5949000      0.6136000
  1 1 1      -3   -6   20 o    5.437000      0.2413000       5.516000 0.3367000       5.359000      0.3457000      0.1574000      0.4826000
  1 1 1      -3   -6   21 o    8.500000      0.2109000       8.447000 0.2998000       8.553000      0.2968000     -0.1061000      0.4218000
  1 1 1      -3   -6   22 o    15.71000      0.2518000       16.06000 0.3617000       15.35000      0.3505000      0.7159000      0.5037000
  1 1 1      -3   -6   23 f    7.125000      0.2424000       7.520000 0.3283000       6.730000      0.3568000      0.7902000      0.4849000
  1 1 1      -3   -6   24 o    4.849000      0.3088000       4.542000 0.4551000       5.157000      0.4174000     -0.6154000      0.6176000
  1 1 1      -3   -6   25 o    6.311000      0.2608000       6.061000 0.3762000       6.560000      0.3612000     -0.4988000      0.5215000
  1 1 1      -3   -6   26 o    14.03000      0.2525000       14.15000 0.3599000       13.92000      0.3544000      0.2321000      0.5051000
  1 1 1      -3   -6   27 o    3.364000      0.4858000       3.161000 0.7016000       3.568000      0.6722000     -0.4072000      0.9716000
  1 1 1      -3   -6   28 o    8.434000      0.3837000       8.432000 0.5907000       8.436000      0.4899000     -0.3498000E-02  0.7674000
  1 1 1      -3   -6   29 o    3.381000      0.5234000       3.716000 0.6741000       3.047000      0.8007000      0.6697000       1.047000
  1 1 1      -3   -6   30 o    4.491000      0.4191000       4.276000 0.6108000       4.706000      0.5740000     -0.4306000      0.8382000
  1 1 1      -3   -6   31 o    8.520000      0.3951000       8.414000 0.5152000       8.626000      0.5990000     -0.2117000      0.7901000
  1 1 1      -3   -6   32 o    2.540000      0.6237000       2.457000 0.8723000       2.622000      0.8917000     -0.1649000       1.247000
  1 1 1      -3   -6   33 o    3.307000      0.5947000       2.864000 0.8790000       3.750000      0.8011000     -0.8861000       1.189000
  1 1 1      -3   -6   34 o    4.126000      0.5286000       3.820000 0.7936000       4.432000      0.6985000     -0.6113000       1.057000
  1 1 1      -3   -6   35 o    4.718000      0.4498000       4.281000 0.6838000       5.156000      0.5845000     -0.8753000      0.8996000
  1 1 1      -3   -6   36 o    3.836000      0.5393000       3.737000 0.7882000       3.936000      0.7362000     -0.1998000       1.079000
  1 1 1      -3   -6   37 o    1.854000      0.5542000       1.617000 0.7367000       2.092000      0.8282000     -0.4750000       1.108000
  1 1 1      -3   -5    1 o    21.33000      0.2895000       20.68000 0.3972000       21.98000      0.4212000      -1.304000      0.5790000
  1 1 1      -3   -5    2 o    18.06000      0.2484000       18.40000 0.3571000       17.73000      0.3455000      0.6693000      0.4968000
  1 1 1      -3   -5    3 o    13.32000      0.1903000       13.23000 0.2679000       13.40000      0.2703000     -0.1699000      0.3805000
  1 1 1      -3   -5    4 o    14.03000      0.2429000       13.61000 0.3892000       14.45000      0.2907000     -0.8469000      0.4858000
  1 1 1      -3   -5    5 o    11.32000      0.1705000       11.21000 0.2399000       11.43000      0.2423000     -0.2221000      0.3410000
  1 1 1      -3   -5    6 o    8.849000      0.1493000       8.743000 0.2090000       8.955000      0.2133000     -0.2111000      0.2987000
  1 1 1      -3   -5    7 f    13.64000      0.2005000       13.76000 0.2853000       13.53000      0.2818000      0.2268000      0.4010000
  1 1 1      -3   -5    8 o    1.199000      0.3255000       1.144000 0.4533000       1.253000      0.4671000     -0.1086000      0.6509000
  1 1 1      -3   -5    9 o    5.861000      0.1927000       5.514000 0.3201000       6.208000      0.2147000     -0.6935000      0.3854000
  1 1 1      -3   -5   10 o    12.72000      0.2779000       13.20000 0.4061000       12.25000      0.3794000      0.9579000      0.5557000
  1 1 1      -3   -5   11 f    5.728000      0.2399000       6.011000 0.3389000       5.445000      0.3397000      0.5666000      0.4799000
  1 1 1      -3   -5   12 o    13.13000      0.2052000       13.28000 0.2930000       12.98000      0.2873000      0.2963000      0.4103000
  1 1 1      -3   -5   13 o    6.625000      0.1728000       6.609000 0.2459000       6.641000      0.2429000     -0.3178000E-01  0.3456000
  1 1 1      -3   -5   14 o    4.811000      0.2910000       5.018000 0.3718000       4.604000      0.4477000      0.4138000      0.5820000
  1 1 1      -3   -5   15 o    9.847000      0.1889000       9.696000 0.2639000       9.997000      0.2702000     -0.3011000      0.3777000
  1 1 1      -3   -5   16 o    7.893000      0.1848000       7.717000 0.2635000       8.069000      0.2593000     -0.3520000      0.3697000
  1 1 1      -3   -5   17 o    7.966000      0.1945000       8.032000 0.2755000       7.899000      0.2745000      0.1327000      0.3889000
  1 1 1      -3   -5   18 o    10.76000      0.2034000       10.94000 0.2901000       10.57000      0.2853000      0.3740000      0.4069000
  1 1 1      -3   -5   19 o    3.857000      0.3052000       4.126000 0.4115000       3.587000      0.4507000      0.5393000      0.6103000
  1 1 1      -3   -5   20 f    7.983000      0.2095000       7.938000 0.2989000       8.028000      0.2937000     -0.8984000E-01  0.4191000
  1 1 1      -3   -5   21 o    6.807000      0.2254000       6.836000 0.3170000       6.778000      0.3205000      0.5763000E-01  0.4508000
  1 1 1      -3   -5   22 o    10.57000      0.2178000       10.45000 0.3090000       10.70000      0.3071000     -0.2505000      0.4356000
  1 1 1      -3   -5   23 o    5.721000      0.2650000       5.752000 0.3797000       5.690000      0.3698000      0.6206000E-01  0.5301000
  1 1 1      -3   -5   24 o    3.295000      0.4301000       3.648000 0.5491000       2.942000      0.6622000      0.7053000      0.8603000
  1 1 1      -3   -5   25 o    9.380000      0.2304000       9.489000 0.3215000       9.271000      0.3300000      0.2179000      0.4607000
  1 1 1      -3   -5   26 o    11.90000      0.2380000       12.14000 0.3392000       11.66000      0.3340000      0.4761000      0.4760000
  1 1 1      -3   -5   27 o    7.313000      0.2613000       7.227000 0.3685000       7.400000      0.3705000     -0.1724000      0.5226000
  1 1 1      -3   -5   28 o    4.814000      0.5389000       5.622000 0.7405000       4.007000      0.7831000       1.615000       1.078000
  1 1 1      -3   -5   29 o    6.735000      0.2976000       6.288000 0.4333000       7.182000      0.4081000     -0.8940000      0.5952000
  1 1 1      -3   -5   30 o    2.324000      0.5712000       1.937000 0.7756000       2.712000      0.8389000     -0.7755000       1.142000
  1 1 1      -3   -5   31 f    4.521000      0.6022000       4.639000 0.7349000       4.404000      0.9543000      0.2350000       1.204000
  1 1 1      -3   -5   32 o    2.929000      0.6224000       2.822000 0.8696000       3.036000      0.8908000     -0.2139000       1.245000
  1 1 1      -3   -5   33 o    3.706000      0.5595000       3.590000 0.8054000       3.822000      0.7767000     -0.2324000       1.119000
  1 1 1      -3   -5   34 o    5.773000      0.4006000       5.348000 0.5940000       6.199000      0.5376000     -0.8503000      0.8011000
  1 1 1      -3   -5   35 o    5.610000      0.3910000       5.328000 0.5495000       5.893000      0.5566000     -0.5655000      0.7821000
  1 1 1      -3   -5   36 f    3.052000      0.6125000       2.903000 0.8614000       3.200000      0.8710000     -0.2970000       1.225000
  1 1 1      -3   -5   37 o    1.841000      0.5366000       2.301000 0.8464000       1.381000      0.6597000      0.9204000       1.073000
  1 1 1      -3   -4    1 o    15.65000      0.2166000       15.46000 0.3022000       15.84000      0.3103000     -0.3821000      0.4332000
  1 1 1      -3   -4    2 f    16.88000      0.2327000       17.12000 0.3331000       16.65000      0.3250000      0.4700000      0.4654000
  1 1 1      -3   -4    3 o    20.68000      0.2827000       20.67000 0.4002000       20.69000      0.3994000     -0.2387000E-01  0.5654000
  1 1 1      -3   -4    4 o    18.49000      0.3613000       18.64000 0.5147000       18.33000      0.5072000      0.3054000      0.7226000
  1 1 1      -3   -4    5 o    9.714000      0.1875000       9.600000 0.3058000       9.829000      0.2172000     -0.2289000      0.3751000
  1 1 1      -3   -4    6 o    14.22000      0.2048000       14.23000 0.2894000       14.22000      0.2898000      0.5281000E-02  0.4095000
  1 1 1      -3   -4    7 o    22.94000      0.3145000       22.94000 0.4445000       22.94000      0.4451000      0.6996000E-02  0.6290000
  1 1 1      -3   -4    8 o    17.17000      0.2428000       17.52000 0.3496000       16.81000      0.3371000      0.7133000      0.4856000
  1 1 1      -3   -4    9 o    10.58000      0.2077000       10.71000 0.3384000       10.44000      0.2408000      0.2748000      0.4154000
  1 1 1      -3   -4   10 o    12.52000      0.1937000       12.14000 0.2667000       12.91000      0.2811000     -0.7682000      0.3875000
  1 1 1      -3   -4   11 o    14.04000      0.2996000       13.60000 0.4161000       14.49000      0.4311000     -0.8968000      0.5991000
  1 1 1      -3   -4   12 o    12.03000      0.1936000       11.92000 0.2722000       12.14000      0.2754000     -0.2173000      0.3872000
  1 1 1      -3   -4   13 o    15.48000      0.2306000       15.64000 0.3289000       15.31000      0.3233000      0.3292000      0.4612000
  1 1 1      -3   -4   14 o    8.877000      0.2491000       8.531000 0.3426000       9.223000      0.3617000     -0.6926000      0.4983000
  1 1 1      -3   -4   15 o    11.83000      0.2854000       11.89000 0.3946000       11.77000      0.4125000      0.1232000      0.5708000
  1 1 1      -3   -4   16 o    9.095000      0.1890000       8.997000 0.2664000       9.193000      0.2683000     -0.1963000      0.3781000
  1 1 1      -3   -4   17 o    5.255000      0.2256000       5.264000 0.3162000       5.245000      0.3219000      0.1901000E-01  0.4512000
  1 1 1      -3   -4   18 o    6.784000      0.2079000       6.792000 0.3002000       6.775000      0.2878000      0.1658000E-01  0.4159000
  1 1 1      -3   -4   19 o    6.157000      0.2189000       6.161000 0.3089000       6.153000      0.3101000      0.8222000E-02  0.4377000
  1 1 1      -3   -4   20 o    6.699000      0.2167000       6.584000 0.3065000       6.815000      0.3064000     -0.2312000      0.4334000
  1 1 1      -3   -4   21 o    4.264000      0.2993000       4.355000 0.4365000       4.172000      0.4097000      0.1825000      0.5986000
  1 1 1      -3   -4   22 o    8.772000      0.2159000       8.699000 0.3071000       8.845000      0.3035000     -0.1457000      0.4318000
  1 1 1      -3   -4   23 o    3.775000      0.3727000       4.310000 0.4793000       3.240000      0.5710000       1.071000      0.7454000
  1 1 1      -3   -4   24 o    5.165000      0.2825000       5.199000 0.3997000       5.131000      0.3994000      0.6815000E-01  0.5650000
  1 1 1      -3   -4   25 o    8.757000      0.2325000       8.485000 0.3276000       9.029000      0.3299000     -0.5441000      0.4649000
  1 1 1      -3   -4   26 o    7.753000      0.2493000       8.013000 0.3429000       7.493000      0.3620000      0.5204000      0.4986000
  1 1 1      -3   -4   27 o    2.391000      0.5375000       2.190000 0.7638000       2.592000      0.7566000     -0.4019000       1.075000
  1 1 1      -3   -4   28 o    4.595000      0.5556000       4.103000 0.9062000       5.087000      0.6430000     -0.9839000       1.111000
  1 1 1      -3   -4   29 o    9.342000      0.2558000       9.556000 0.3552000       9.128000      0.3681000      0.4272000      0.5115000
  1 1 1      -3   -4   30 o    1.724000      0.5298000       1.727000 0.7480000       1.722000      0.7505000      0.5062000E-02   1.060000
  1 1 1      -3   -4   31 o    4.092000      0.6385000       3.655000 0.9090000       4.529000      0.8969000     -0.8742000       1.277000
  1 1 1      -3   -4   32 o    6.512000      0.3469000       6.865000 0.4666000       6.159000      0.5135000      0.7060000      0.6939000
  1 1 1      -3   -4   33 o    4.420000      0.4968000       3.690000 0.8047000       5.150000      0.5829000      -1.460000      0.9936000
  1 1 1      -3   -4   34 o    5.412000      0.4157000       5.893000 0.5400000       4.931000      0.6322000      0.9616000      0.8314000
  1 1 1      -3   -4   35 o    4.139000      0.5166000       3.873000 0.7725000       4.406000      0.6862000     -0.5332000       1.033000
  1 1 1      -3   -4   36 o    2.499000      0.6173000       2.294000 0.8646000       2.704000      0.8812000     -0.4101000       1.235000
  1 1 1      -3   -4   37 o    2.463000      0.6166000       2.623000 0.8795000       2.302000      0.8643000      0.3202000       1.233000
  1 1 1      -3   -4   38 f    2.768000      0.6616000       3.462000 1.023000       2.073000      0.8394000       1.389000       1.323000
  1 1 1      -3   -3    1 o    6.175000      0.1058000       6.103000 0.1490000       6.248000      0.1502000     -0.1455000      0.2116000
  1 1 1      -3   -3    2 o    8.869000      0.1341000       8.840000 0.1894000       8.898000      0.1900000     -0.5856000E-01  0.2682000
  1 1 1      -3   -3    3 o    18.52000      0.2539000       18.18000 0.3528000       18.87000      0.3654000     -0.6954000      0.5079000
  1 1 1      -3   -3    4 o    14.97000      0.2594000       14.67000 0.2926000       15.27000      0.4283000     -0.5967000      0.5187000
  1 1 1      -3   -3    5 o    22.85000      0.3115000       22.57000 0.4353000       23.13000      0.4456000     -0.5610000      0.6229000
  1 1 1      -3   -3    6 o    31.37000      0.4244000       31.16000 0.5951000       31.59000      0.6051000     -0.4337000      0.8487000
  1 1 1      -3   -3    7 o    14.91000      0.2134000       14.97000 0.3026000       14.84000      0.3011000      0.1337000      0.4269000
  1 1 1      -3   -3    8 o    7.576000      0.1428000       7.634000 0.2029000       7.517000      0.2012000      0.1172000      0.2857000
  1 1 1      -3   -3    9 o    9.701000      0.1619000       9.457000 0.2250000       9.946000      0.2328000     -0.4894000      0.3238000
  1 1 1      -3   -3   10 o    25.20000      0.3462000       24.48000 0.4763000       25.92000      0.5026000      -1.448000      0.6924000
  1 1 1      -3   -3   11 o    18.06000      0.3640000       17.89000 0.5121000       18.23000      0.5175000     -0.3432000      0.7281000
  1 1 1      -3   -3   12 o    31.81000      0.6132000       31.13000 0.8506000       32.48000      0.8836000      -1.353000       1.226000
  1 1 1      -3   -3   13 o    5.269000      0.1825000       5.303000 0.2590000       5.234000      0.2572000      0.6814000E-01  0.3650000
  1 1 1      -3   -3   14 o    14.98000      0.3210000       14.40000 0.4380000       15.56000      0.4693000      -1.160000      0.6419000
  1 1 1      -3   -3   15 o    5.325000      0.2820000       5.634000 0.3761000       5.017000      0.4204000      0.6164000      0.5641000
  1 1 1      -3   -3   16 o    4.980000      0.3079000       4.980000 0.3079000                  ?              ?              ?              ?
  1 1 1      -3   -3   17 o    2.090000      0.4170000       2.023000 0.5988000       2.156000      0.5804000     -0.1340000      0.8339000
  1 1 1      -3   -3   18 o    2.935000      0.3816000       3.386000 0.5045000       2.483000      0.5727000      0.9031000      0.7633000
  1 1 1      -3   -3   19 o    3.490000      0.3268000       3.412000 0.4820000       3.568000      0.4415000     -0.1561000      0.6537000
  1 1 1      -3   -3   20 o    3.152000      0.3723000       3.068000 0.5417000       3.235000      0.5109000     -0.1676000      0.7447000
  1 1 1      -3   -3   21 o    2.152000      0.4552000       1.807000 0.6584000       2.497000      0.6287000     -0.6901000      0.9104000
  1 1 1      -3   -3   22 o    9.686000      0.2171000       9.611000 0.3064000       9.761000      0.3078000     -0.1500000      0.4343000
  1 1 1      -3   -3   23 o    2.038000      0.5051000       2.106000 0.7080000       1.970000      0.7205000      0.1355000       1.010000
  1 1 1      -3   -3   24 o    6.255000      0.2571000       6.481000 0.3499000       6.028000      0.3768000      0.4534000      0.5142000
  1 1 1      -3   -3   25 o    6.031000      0.2635000       5.767000 0.3856000       6.295000      0.3592000     -0.5279000      0.5270000
  1 1 1      -3   -3   26 o    7.880000      0.2434000       7.900000 0.3477000       7.860000      0.3407000      0.3997000E-01  0.4867000
  1 1 1      -3   -3   27 o    5.443000      0.3101000       5.395000 0.4294000       5.492000      0.4476000     -0.9682000E-01  0.6202000
  1 1 1      -3   -3   28 o    8.426000      0.3540000       8.933000 0.5185000       7.919000      0.4819000       1.013000      0.7079000
  1 1 1      -3   -3   29 o    6.206000      0.3029000       5.976000 0.4338000       6.436000      0.4230000     -0.4597000      0.6059000
  1 1 1      -3   -3   30 o    3.069000      0.5415000       3.419000 0.7175000       2.719000      0.8111000      0.6998000       1.083000
  1 1 1      -3   -3   31 o    3.262000      0.7092000       2.840000 0.9583000       3.683000       1.046000     -0.8430000       1.418000
  1 1 1      -3   -3   32 o    9.528000      0.2778000       9.500000 0.3970000       9.556000      0.3887000     -0.5529000E-01  0.5556000
  1 1 1      -3   -3   33 o    6.153000      0.3529000       6.269000 0.4824000       6.038000      0.5152000      0.2301000      0.7058000
  1 1 1      -3   -3   34 o    3.728000      0.5609000       4.379000 0.6834000       3.078000      0.8895000       1.301000       1.122000
  1 1 1      -3   -3   35 o    6.520000      0.3426000       6.575000 0.4840000       6.465000      0.4851000      0.1101000      0.6853000
  1 1 1      -3   -3   36 o    1.995000      0.5825000       2.139000 0.8404000       1.851000      0.8068000      0.2881000       1.165000
  1 1 1      -3   -3   37 o    2.150000      0.5834000       2.523000 0.8747000       1.777000      0.7722000      0.7462000       1.167000
  1 1 1      -3   -3   38 o    1.647000      0.5189000       1.492000 0.6937000       1.802000      0.7718000     -0.3099000       1.038000
  1 1 1      -3   -2    1 o    31.60000      0.4237000       31.68000 0.6004000       31.53000      0.5980000      0.1425000      0.8474000
  1 1 1      -3   -2    2 o    23.82000      0.3218000       24.29000 0.4635000       23.35000      0.4465000      0.9387000      0.6435000
  1 1 1      -3   -2    3 o    33.52000      0.4501000       32.97000 0.6259000       34.06000      0.6470000      -1.092000      0.9002000
  1 1 1      -3   -2    4 o    9.405000      0.1438000       9.547000 0.2059000       9.264000      0.2006000      0.2832000      0.2875000
  1 1 1      -3   -2    5 o    11.69000      0.2115000       11.59000 0.2410000       11.79000      0.3475000     -0.2048000      0.4229000
  1 1 1      -3   -2    6 o    29.91000      0.4046000       29.67000 0.5670000       30.15000      0.5773000     -0.4771000      0.8092000
  1 1 1      -3   -2    7 o    13.15000      0.1924000       13.11000 0.2711000       13.18000      0.2732000     -0.6958000E-01  0.3849000
  1 1 1      -3   -2    8 o    3.012000      0.1793000       3.031000 0.2447000       2.994000      0.2623000      0.3769000E-01  0.3587000
  1 1 1      -3   -2    9 o    8.656000      0.1522000       8.481000 0.2132000       8.831000      0.2173000     -0.3507000      0.3045000
  1 1 1      -3   -2   10 o    9.001000      0.1585000       9.005000 0.2233000       8.997000      0.2249000      0.7974000E-02  0.3169000
  1 1 1      -3   -2   11 o    14.23000      0.2990000       14.03000 0.4191000       14.43000      0.4264000     -0.3933000      0.5979000
  1 1 1      -3   -2   12 o    19.86000      0.3966000       19.56000 0.5555000       20.17000      0.5664000     -0.6038000      0.7933000
  1 1 1      -3   -2   13 o    8.277000      0.1672000       8.161000 0.2359000       8.393000      0.2369000     -0.2329000      0.3343000
  1 1 1      -3   -2   14 o    20.04000      0.4036000       19.80000 0.5632000       20.28000      0.5784000     -0.4835000      0.8073000
  1 1 1      -3   -2   15 f    7.288000      0.2566000       7.098000 0.3510000       7.477000      0.3745000     -0.3789000      0.5132000
  1 1 1      -3   -2   16 o    7.492000      0.2645000       7.492000 0.2645000                  ?              ?              ?              ?
  1 1 1      -3   -2   17 o    7.643000      0.1903000       7.701000 0.2697000       7.585000      0.2685000      0.1156000      0.3806000
  1 1 1      -3   -2   18 o    1.891000      0.6134000                  ?       ?   1.891000      0.6134000                  ?              ?
  1 1 1      -3   -2   19 o    4.621000      0.3114000       4.591000 0.5142000       4.651000      0.3513000     -0.5996000E-01  0.6227000
  1 1 1      -3   -2   20 o    4.689000      0.2562000       4.572000 0.3756000       4.806000      0.3486000     -0.2330000      0.5125000
  1 1 1      -3   -2   21 o    6.000000      0.2279000       6.049000 0.3204000       5.950000      0.3241000      0.9847000E-01  0.4558000
  1 1 1      -3   -2   22 o    2.767000      0.4249000       3.394000 0.5083000       2.139000      0.6810000       1.255000      0.8498000
  1 1 1      -3   -2   23 o    10.53000      0.2180000       10.20000 0.3082000       10.86000      0.3085000     -0.6617000      0.4360000
  1 1 1      -3   -2   24 o    9.151000      0.2235000       9.019000 0.3167000       9.284000      0.3155000     -0.2650000      0.4471000
  1 1 1      -3   -2   25 f    7.386000      0.2394000       7.552000 0.3345000       7.220000      0.3425000      0.3326000      0.4787000
  1 1 1      -3   -2   26 o    5.177000      0.2898000       4.887000 0.4253000       5.467000      0.3939000     -0.5802000      0.5797000
  1 1 1      -3   -2   27 o    7.503000      0.2502000       7.845000 0.3467000       7.160000      0.3609000      0.6856000      0.5005000
  1 1 1      -3   -2   28 o    4.288000      0.5209000       3.982000 0.8276000       4.594000      0.6326000     -0.6116000       1.042000
  1 1 1      -3   -2   29 o    10.12000      0.2496000       10.22000 0.3539000       10.02000      0.3520000      0.1983000      0.4991000
  1 1 1      -3   -2   30 o    5.122000      0.3713000       4.787000 0.5603000       5.457000      0.4873000     -0.6700000      0.7426000
  1 1 1      -3   -2   31 o    7.389000      0.4176000       7.016000 0.5850000       7.762000      0.5961000     -0.7468000      0.8353000
  1 1 1      -3   -2   32 o    7.861000      0.3020000       7.629000 0.4351000       8.093000      0.4188000     -0.4642000      0.6039000
  1 1 1      -3   -2   33 o    6.779000      0.3378000       7.377000 0.4331000       6.181000      0.5184000       1.196000      0.6755000
  1 1 1      -3   -2   34 o    8.586000      0.2907000       8.302000 0.4094000       8.871000      0.4130000     -0.5690000      0.5815000
  1 1 1      -3   -2   35 f    3.067000      0.5773000       3.586000 0.7571000       2.548000      0.8716000       1.038000       1.155000
  1 1 1      -3   -2   36 o    5.352000      0.3794000       5.589000 0.5091000       5.115000      0.5627000      0.4748000      0.7588000
  1 1 1      -3   -2   37 o    2.917000      0.5914000       2.999000 0.8348000       2.835000      0.8380000      0.1645000       1.183000
  1 1 1      -3   -2   38 o    2.575000      0.5793000       3.031000 0.8125000       2.119000      0.8260000      0.9118000       1.159000
  1 1 1      -3   -1    1 o    18.71000      0.2543000       18.51000 0.3556000       18.91000      0.3637000     -0.4053000      0.5087000
  1 1 1      -3   -1    2 o    8.406000      0.1572000       8.645000 0.2605000       8.168000      0.1762000      0.4769000      0.3145000
  1 1 1      -3   -1    3 o    22.94000      0.3108000       23.13000 0.4429000       22.75000      0.4360000      0.3815000      0.6215000
  1 1 1      -3   -1    4 o    18.28000      0.2518000       17.89000 0.3494000       18.67000      0.3628000     -0.7754000      0.5037000
  1 1 1      -3   -1    5 f    11.76000      0.1721000       12.12000 0.2493000       11.41000      0.2374000      0.7131000      0.3442000
  1 1 1      -3   -1    6 o    16.34000      0.2292000       16.06000 0.3191000       16.62000      0.3291000     -0.5635000      0.4584000
  1 1 1      -3   -1    7 o    28.76000      0.3904000       28.05000 0.5395000       29.48000      0.5645000      -1.433000      0.7808000
  1 1 1      -3   -1    8 o    1.888000      0.2655000       2.162000 0.3310000       1.613000      0.4151000      0.5486000      0.5310000
  1 1 1      -3   -1    9 o    7.373000      0.1443000       7.237000 0.2030000       7.509000      0.2051000     -0.2721000      0.2886000
  1 1 1      -3   -1   10 o    12.55000      0.1911000       12.81000 0.2736000       12.29000      0.2669000      0.5142000      0.3822000
  1 1 1      -3   -1   11 o    7.007000      0.2177000       6.899000 0.3105000       7.115000      0.3052000     -0.2164000      0.4354000
  1 1 1      -3   -1   12 o    19.92000      0.2818000       19.82000 0.3961000       20.01000      0.4009000     -0.1888000      0.5636000
  1 1 1      -3   -1   13 f    17.27000      0.2509000       17.21000 0.3531000       17.34000      0.3565000     -0.1234000      0.5018000
  1 1 1      -3   -1   14 o    10.87000      0.2639000       10.54000 0.3646000       11.21000      0.3817000     -0.6615000      0.5279000
  1 1 1      -3   -1   15 o    4.811000      0.2912000       5.099000 0.3857000       4.523000      0.4365000      0.5759000      0.5825000
  1 1 1      -3   -1   16 o    5.240000      0.1968000       5.104000 0.2946000       5.375000      0.2609000     -0.2718000      0.3936000
  1 1 1      -3   -1   17 o    16.72000      0.2525000       16.55000 0.3552000       16.88000      0.3589000     -0.3277000      0.5050000
  1 1 1      -3   -1   18 o    4.377000      0.2377000       4.617000 0.2961000       4.137000      0.3720000      0.4805000      0.4754000
  1 1 1      -3   -1   19 o    6.231000      0.2098000       6.180000 0.2987000       6.281000      0.2947000     -0.1008000      0.4196000
  1 1 1      -3   -1   20 f    6.024000      0.2220000       6.076000 0.3202000       5.972000      0.3076000      0.1042000      0.4440000
  1 1 1      -3   -1   21 o    4.462000      0.2779000       4.558000 0.3867000       4.365000      0.3991000      0.1934000      0.5557000
  1 1 1      -3   -1   22 o    12.42000      0.2245000       12.39000 0.3171000       12.46000      0.3180000     -0.7518000E-01  0.4490000
  1 1 1      -3   -1   23 o    5.915000      0.2447000       5.762000 0.3554000       6.067000      0.3365000     -0.3046000      0.4894000
  1 1 1      -3   -1   24 f    8.760000      0.2245000       8.718000 0.3195000       8.802000      0.3156000     -0.8345000E-01  0.4490000
  1 1 1      -3   -1   25 o    7.956000      0.2296000       7.989000 0.3246000       7.922000      0.3247000      0.6756000E-01  0.4591000
  1 1 1      -3   -1   26 o    5.986000      0.2621000       5.681000 0.3828000       6.290000      0.3581000     -0.6090000      0.5242000
  1 1 1      -3   -1   27 o    11.11000      0.3299000       11.08000 0.4792000       11.14000      0.4536000     -0.5961000E-01  0.6598000
  1 1 1      -3   -1   28 o    5.312000      0.4291000       5.245000 0.6654000       5.380000      0.5420000     -0.1354000      0.8582000
  1 1 1      -3   -1   29 o    5.788000      0.3123000       6.011000 0.4308000       5.565000      0.4523000      0.4458000      0.6246000
  1 1 1      -3   -1   30 o    6.959000      0.3288000       7.412000 0.5361000       6.505000      0.3808000      0.9069000      0.6576000
  1 1 1      -3   -1   31 o    6.740000      0.4315000       6.441000 0.5904000       7.039000      0.6294000     -0.5988000      0.8629000
  1 1 1      -3   -1   32 o    2.404000      0.5758000       2.763000 0.8257000       2.045000      0.8026000      0.7180000       1.152000
  1 1 1      -3   -1   33 o    5.574000      0.3718000       5.631000 0.5311000       5.517000      0.5205000      0.1139000      0.7437000
  1 1 1      -3   -1   34 o    2.324000      0.5926000       1.863000 0.7941000       2.786000      0.8797000     -0.9232000       1.185000
  1 1 1      -3   -1   35 o    6.879000      0.3319000       6.162000 0.4995000       7.596000      0.4372000      -1.435000      0.6638000
  1 1 1      -3   -1   36 o    5.212000      0.3913000       5.105000 0.5434000       5.319000      0.5632000     -0.2140000      0.7826000
  1 1 1      -3   -1   37 o    3.000000      0.5742000       2.658000 0.8516000       3.342000      0.7704000     -0.6833000       1.148000
  1 1 1      -3   -1   38 o    1.986000      0.5728000       1.943000 0.8071000       2.028000      0.8130000     -0.8495000E-01   1.146000
  1 1 1      -3    0    1 o    34.34000      0.4598000       34.28000 0.6492000       34.40000      0.6515000     -0.1178000      0.9197000
  1 1 1      -3    0    2 o    10.74000      0.1544000       10.85000 0.2202000       10.63000      0.2164000      0.2175000      0.3087000
  1 1 1      -3    0    3 o    5.680000      0.1064000       5.597000 0.1509000       5.763000      0.1499000     -0.1664000      0.2127000
  1 1 1      -3    0    4 o    11.45000      0.1664000       11.30000 0.2330000       11.61000      0.2375000     -0.3056000      0.3327000
  1 1 1      -3    0    5 o    14.49000      0.2049000       14.53000 0.2909000       14.45000      0.2888000      0.8000000E-01  0.4099000
  1 1 1      -3    0    6 o    20.85000      0.2874000       21.19000 0.4122000       20.50000      0.4005000      0.6899000      0.5747000
  1 1 1      -3    0    7 o    22.37000      0.3072000       22.53000 0.4372000       22.21000      0.4316000      0.3236000      0.6143000
  1 1 1      -3    0    8 o    5.271000      0.1377000       5.527000 0.1916000       5.014000      0.1978000      0.5125000      0.2754000
  1 1 1      -3    0    9 o    4.256000      0.1558000       4.248000 0.2203000       4.264000      0.2204000     -0.1671000E-01  0.3116000
  1 1 1      -3    0   10 o    18.80000      0.2656000       19.07000 0.3806000       18.52000      0.3705000      0.5485000      0.5311000
  1 1 1      -3    0   11 o    15.42000      0.3193000       15.31000 0.4495000       15.53000      0.4537000     -0.2236000      0.6387000
  1 1 1      -3    0   12 o    6.124000      0.1601000       6.088000 0.2247000       6.160000      0.2280000     -0.7261000E-01  0.3201000
  1 1 1      -3    0   13 o    12.33000      0.1969000       12.48000 0.2799000       12.18000      0.2770000      0.2962000      0.3938000
  1 1 1      -3    0   14 o    3.889000      0.3155000       3.881000 0.4408000       3.897000      0.4515000     -0.1548000E-01  0.6310000
  1 1 1      -3    0   15 o    1.586000      0.3906000       1.618000 0.5459000       1.553000      0.5589000      0.6487000E-01  0.7812000
  1 1 1      -3    0   16 o    5.890000      0.2396000       5.717000 0.2771000       6.063000      0.3909000     -0.3454000      0.4792000
  1 1 1      -3    0   17 o    7.682000      0.1878000       7.458000 0.2687000       7.905000      0.2625000     -0.4475000      0.3756000
  1 1 1      -3    0   18 o    7.584000      0.1926000       7.714000 0.2740000       7.453000      0.2706000      0.2609000      0.3851000
  1 1 1      -3    0   19 o    4.526000      0.2455000       4.834000 0.3368000       4.217000      0.3574000      0.6168000      0.4911000
  1 1 1      -3    0   20 o    4.386000      0.2621000       4.482000 0.3720000       4.290000      0.3694000      0.1914000      0.5243000
  1 1 1      -3    0   21 o    1.409000      0.4201000       1.432000 0.6044000       1.385000      0.5837000      0.4749000E-01  0.8403000
  1 1 1      -3    0   22 o    13.27000      0.2299000       13.03000 0.3227000       13.51000      0.3274000     -0.4748000      0.4597000
  1 1 1      -3    0   23 o    6.509000      0.2302000       6.276000 0.3363000       6.743000      0.3146000     -0.4673000      0.4604000
  1 1 1      -3    0   24 o    5.173000      0.2759000       5.527000 0.3877000       4.819000      0.3927000      0.7071000      0.5518000
  1 1 1      -3    0   25 o    11.52000      0.2250000       11.21000 0.3164000       11.82000      0.3200000     -0.6100000      0.4500000
  1 1 1      -3    0   26 o    4.256000      0.3448000       4.076000 0.5209000       4.436000      0.4518000     -0.3596000      0.6896000
  1 1 1      -3    0   27 o    5.137000      0.4381000       4.733000 0.6922000       5.540000      0.5372000     -0.8066000      0.8762000
  1 1 1      -3    0   28 f    3.302000      0.5279000       3.691000 0.8112000       2.914000      0.6758000      0.7772000       1.056000
  1 1 1      -3    0   29 o    3.611000      0.4549000       3.901000 0.6114000       3.321000      0.6738000      0.5798000      0.9099000
  1 1 1      -3    0   30 o    7.587000      0.3876000       7.516000 0.5226000       7.658000      0.5726000     -0.1420000      0.7752000
  1 1 1      -3    0   31 o    5.042000      0.4810000       4.600000 0.5811000       5.484000      0.7665000     -0.8837000      0.9619000
  1 1 1      -3    0   32 f    5.824000      0.3537000       5.847000 0.4987000       5.801000      0.5017000      0.4588000E-01  0.7074000
  1 1 1      -3    0   33 o    1.947000      0.5674000       2.133000 0.8259000       1.760000      0.7782000      0.3736000       1.135000
  1 1 1      -3    0   34 o    3.765000      0.5108000       3.351000 0.7929000       4.178000      0.6441000     -0.8266000       1.022000
  1 1 1      -3    0   35 o    5.879000      0.3642000       5.888000 0.4976000       5.869000      0.5319000      0.1975000E-01  0.7283000
  1 1 1      -3    0   36 o    2.966000      0.5904000       2.679000 0.8466000       3.254000      0.8231000     -0.5755000       1.181000
  1 1 1      -3    0   37 o    1.585000      0.5068000       1.858000 0.7948000       1.312000      0.6290000      0.5461000       1.014000
  1 1 1      -3    0   38 o    2.749000      0.5943000       2.316000 0.8711000       3.183000      0.8086000     -0.8668000       1.189000
  1 1 1      -3    1    1 o    11.80000      0.1673000       11.73000 0.2352000       11.87000      0.2379000     -0.1389000      0.3345000
  1 1 1      -3    1    2 o    15.11000      0.2559000       15.30000 0.3000000       14.92000      0.4146000      0.3750000      0.5118000
  1 1 1      -3    1    3 o    6.536000      0.1131000       6.534000 0.1599000       6.538000      0.1599000     -0.4194000E-02  0.2261000
  1 1 1      -3    1    4 o    6.187000      0.1408000       6.007000 0.2286000       6.368000      0.1645000     -0.3604000      0.2817000
  1 1 1      -3    1    5 o    12.29000      0.1791000       11.99000 0.2488000       12.58000      0.2578000     -0.5952000      0.3583000
  1 1 1      -3    1    6 o    7.332000      0.1311000       7.317000 0.1852000       7.347000      0.1857000     -0.2945000E-01  0.2623000
  1 1 1      -3    1    7 o    13.34000      0.1947000       13.34000 0.2757000       13.33000      0.2752000      0.8637000E-02  0.3895000
  1 1 1      -3    1    8 o    16.79000      0.2380000       17.24000 0.3441000       16.34000      0.3288000      0.8925000      0.4759000
  1 1 1      -3    1    9 o    22.11000      0.3059000       22.06000 0.4318000       22.16000      0.4334000     -0.1003000      0.6118000
  1 1 1      -3    1   10 o    10.34000      0.2386000       10.56000 0.3425000       10.13000      0.3322000      0.4299000      0.4771000
  1 1 1      -3    1   11 f    10.15000      0.1719000       10.15000 0.2433000       10.16000      0.2427000     -0.1510000E-01  0.3437000
  1 1 1      -3    1   12 f    17.81000      0.2560000       17.80000 0.3615000       17.81000      0.3627000     -0.6405000E-02  0.5121000
  1 1 1      -3    1   13 o    12.95000      0.2877000       13.53000 0.4168000       12.38000      0.3969000       1.142000      0.5755000
  1 1 1      -3    1   14 o    5.649000      0.2489000       5.534000 0.3536000       5.764000      0.3505000     -0.2303000      0.4979000
  1 1 1      -3    1   15 o    6.273000      0.1787000       6.359000 0.2491000       6.188000      0.2563000      0.1712000      0.3574000
  1 1 1      -3    1   16 o    11.91000      0.2019000       12.17000 0.2889000       11.64000      0.2822000      0.5330000      0.4039000
  1 1 1      -3    1   17 o    9.482000      0.1897000       9.405000 0.2693000       9.558000      0.2672000     -0.1527000      0.3794000
  1 1 1      -3    1   18 o    5.238000      0.2186000       5.089000 0.3154000       5.386000      0.3027000     -0.2973000      0.4371000
  1 1 1      -3    1   19 o    11.58000      0.2103000       11.71000 0.3006000       11.45000      0.2942000      0.2638000      0.4207000
  1 1 1      -3    1   20 o    5.181000      0.2357000       5.268000 0.3430000       5.093000      0.3234000      0.1745000      0.4715000
  1 1 1      -3    1   21 o    1.896000      0.4421000       1.555000 0.6192000       2.236000      0.6311000     -0.6806000      0.8842000
  1 1 1      -3    1   22 o    5.398000      0.2474000       5.588000 0.3517000       5.208000      0.3479000      0.3794000      0.4947000
  1 1 1      -3    1   23 o    9.044000      0.2154000       9.017000 0.3102000       9.071000      0.2988000     -0.5435000E-01  0.4307000
  1 1 1      -3    1   24 o    1.684000      0.4656000       1.430000 0.6394000       1.937000      0.6769000     -0.5076000      0.9312000
  1 1 1      -3    1   25 o    11.86000      0.2264000       11.73000 0.3237000       11.98000      0.3166000     -0.2507000      0.4528000
  1 1 1      -3    1   26 o    5.474000      0.2884000       5.466000 0.4053000       5.482000      0.4104000     -0.1579000E-01  0.5768000
  1 1 1      -3    1   27 o    3.405000      0.5459000       3.913000 0.7379000       2.897000      0.8046000       1.017000       1.092000
  1 1 1      -3    1   28 o    5.286000      0.3151000       5.768000 0.4041000       4.805000      0.4835000      0.9631000      0.6302000
  1 1 1      -3    1   29 o    9.505000      0.2461000       9.420000 0.3569000       9.590000      0.3391000     -0.1696000      0.4923000
  1 1 1      -3    1   30 o    6.710000      0.4276000       6.659000 0.5930000       6.761000      0.6164000     -0.1015000      0.8553000
  1 1 1      -3    1   31 o    11.49000      0.2561000       11.86000 0.3651000       11.12000      0.3592000      0.7406000      0.5122000
  1 1 1      -3    1   32 o    12.53000      0.2604000       12.29000 0.3682000       12.76000      0.3682000     -0.4696000      0.5207000
  1 1 1      -3    1   33 o    3.401000      0.5397000       3.757000 0.7300000       3.044000      0.7952000      0.7124000       1.079000
  1 1 1      -3    1   34 o    5.304000      0.3722000       5.148000 0.5488000       5.460000      0.5030000     -0.3113000      0.7445000
  1 1 1      -3    1   35 o    1.676000      0.5278000       1.635000 0.7374000       1.718000      0.7552000     -0.8283000E-01   1.056000
  1 1 1      -3    1   36 o    2.138000      0.5720000       1.845000 0.7871000       2.432000      0.8302000     -0.5868000       1.144000
  1 1 1      -3    1   37 o    2.266000      0.5040000       1.301000 0.6358000       3.230000      0.7822000      -1.930000       1.008000
  1 1 1      -3    1   38 o    3.244000      0.5523000       4.166000 0.6853000       2.323000      0.8663000       1.844000       1.105000
  1 1 1      -3    2    1 o    10.04000      0.1476000       10.11000 0.2103000       9.966000      0.2073000      0.1436000      0.2953000
  1 1 1      -3    2    2 o    12.37000      0.1773000       12.44000 0.2521000       12.29000      0.2495000      0.1519000      0.3547000
  1 1 1      -3    2    3 o    8.121000      0.1321000       8.056000 0.1864000       8.186000      0.1873000     -0.1305000      0.2642000
  1 1 1      -3    2    4 o    7.038000      0.1273000       6.910000 0.1777000       7.167000      0.1822000     -0.2565000      0.2545000
  1 1 1      -3    2    5 o    17.30000      0.2424000       17.24000 0.3419000       17.36000      0.3437000     -0.1163000      0.4848000
  1 1 1      -3    2    6 f    13.02000      0.2324000       13.26000 0.2727000       12.77000      0.3764000      0.4860000      0.4648000
  1 1 1      -3    2    7 o    14.25000      0.2072000       14.67000 0.2987000       13.82000      0.2872000      0.8434000      0.4144000
  1 1 1      -3    2    8 o    20.89000      0.2901000       20.86000 0.4092000       20.93000      0.4112000     -0.6652000E-01  0.5801000
  1 1 1      -3    2    9 o    14.31000      0.2971000       14.38000 0.4228000       14.24000      0.4176000      0.1466000      0.5943000
  1 1 1      -3    2   10 o    14.21000      0.2977000       13.66000 0.4087000       14.77000      0.4330000      -1.114000      0.5954000
  1 1 1      -3    2   11 o    9.071000      0.1650000       9.109000 0.2313000       9.033000      0.2353000      0.7597000E-01  0.3299000
  1 1 1      -3    2   12 o    20.38000      0.4073000       20.56000 0.5795000       20.19000      0.5726000      0.3728000      0.8147000
  1 1 1      -3    2   13 o    9.480000      0.2471000       9.916000 0.3519000       9.043000      0.3471000      0.8738000      0.4942000
  1 1 1      -3    2   14 o    6.708000      0.1694000       6.745000 0.2406000       6.670000      0.2384000      0.7431000E-01  0.3387000
  1 1 1      -3    2   15 o    3.618000      0.2394000       3.839000 0.3321000       3.396000      0.3448000      0.4423000      0.4787000
  1 1 1      -3    2   16 o    4.925000      0.2046000       4.972000 0.2801000       4.879000      0.2984000      0.9273000E-01  0.4093000
  1 1 1      -3    2   17 o    9.705000      0.2694000       9.705000 0.2694000                  ?              ?              ?              ?
  1 1 1      -3    2   18 o    11.51000      0.2046000       11.40000 0.2905000       11.63000      0.2882000     -0.2343000      0.4092000
  1 1 1      -3    2   19 o    4.915000      0.3231000                  ?       ?   4.915000      0.3231000                  ?              ?
  1 1 1      -3    2   20 f    5.344000      0.2284000       5.376000 0.3285000       5.313000      0.3175000      0.6272000E-01  0.4569000
  1 1 1      -3    2   21 o    8.058000      0.2049000       8.000000 0.2975000       8.116000      0.2819000     -0.1155000      0.4098000
  1 1 1      -3    2   22 o    6.207000      0.2324000       6.776000 0.3138000       5.638000      0.3429000       1.139000      0.4648000
  1 1 1      -3    2   23 o    6.784000      0.2330000       6.923000 0.3326000       6.645000      0.3263000      0.2774000      0.4659000
  1 1 1      -3    2   24 o    10.84000      0.2244000       11.14000 0.3245000       10.55000      0.3101000      0.5914000      0.4488000
  1 1 1      -3    2   25 o    9.698000      0.2237000       9.773000 0.3221000       9.624000      0.3106000      0.1491000      0.4474000
  1 1 1      -3    2   26 o    3.608000      0.5124000       3.133000 0.8232000       4.084000      0.6105000     -0.9515000       1.025000
  1 1 1      -3    2   27 f    4.660000      0.3028000       4.736000 0.4254000       4.584000      0.4309000      0.1513000      0.6055000
  1 1 1      -3    2   28 o    7.981000      0.2416000       7.984000 0.3469000       7.978000      0.3364000      0.6453000E-02  0.4832000
  1 1 1      -3    2   29 o    12.69000      0.3602000       12.94000 0.5009000       12.44000      0.5178000      0.5051000      0.7205000
  1 1 1      -3    2   30 o    2.249000      0.6084000       2.411000 0.8176000       2.087000      0.9012000      0.3244000       1.217000
  1 1 1      -3    2   31 o    12.10000      0.2553000       12.12000 0.3669000       12.07000      0.3553000      0.4885000E-01  0.5107000
  1 1 1      -3    2   32 o    7.749000      0.2832000       7.896000 0.4002000       7.602000      0.4008000      0.2934000      0.5664000
  1 1 1      -3    2   33 o    5.864000      0.3502000       5.773000 0.5257000       5.956000      0.4629000     -0.1833000      0.7005000
  1 1 1      -3    2   34 o    5.343000      0.3826000       5.635000 0.5398000       5.052000      0.5423000      0.5831000      0.7652000
  1 1 1      -3    2   35 o    3.075000      0.5900000       2.763000 0.8772000       3.386000      0.7891000     -0.6228000       1.180000
  1 1 1      -3    2   36 o    3.779000      0.4988000       3.642000 0.7685000       3.917000      0.6362000     -0.2747000      0.9977000
  1 1 1      -3    2   37 o    2.177000      0.5776000       1.819000 0.7889000       2.535000      0.8438000     -0.7161000       1.155000
  1 1 1      -3    2   38 o    2.432000      0.6906000       1.996000 0.8946000       2.867000       1.052000     -0.8712000       1.381000
  1 1 1      -3    3    1 o    21.78000      0.2958000       21.88000 0.4200000       21.69000      0.4166000      0.1962000      0.5916000
  1 1 1      -3    3    2 o    11.54000      0.1684000       11.38000 0.2360000       11.69000      0.2402000     -0.3045000      0.3368000
  1 1 1      -3    3    3 o    11.52000      0.1703000       11.61000 0.2423000       11.44000      0.2394000      0.1764000      0.3406000
  1 1 1      -3    3    4 o    7.291000      0.1327000       7.215000 0.1879000       7.367000      0.1875000     -0.1524000      0.2655000
  1 1 1      -3    3    5 o    21.95000      0.3017000       21.87000 0.4251000       22.04000      0.4283000     -0.1718000      0.6034000
  1 1 1      -3    3    6 o    3.077000      0.1808000       3.089000 0.2555000       3.064000      0.2560000      0.2499000E-01  0.3617000
  1 1 1      -3    3    7 o    18.29000      0.3657000       18.14000 0.5149000       18.43000      0.5195000     -0.2925000      0.7314000
  1 1 1      -3    3    8 o    4.344000      0.2341000       4.105000 0.3278000       4.582000      0.3342000     -0.4772000      0.4681000
  1 1 1      -3    3    9 o    14.85000      0.3094000       14.93000 0.4358000       14.78000      0.4394000      0.1550000      0.6189000
  1 1 1      -3    3   10 o    9.577000      0.2051000       9.365000 0.2342000       9.788000      0.3368000     -0.4226000      0.4102000
  1 1 1      -3    3   11 o    12.07000      0.2716000       12.73000 0.3938000       11.42000      0.3743000       1.304000      0.5433000
  1 1 1      -3    3   12 o    8.177000      0.2366000       8.663000 0.3296000       7.691000      0.3395000      0.9714000      0.4732000
  1 1 1      -3    3   13 o    5.003000      0.1876000       4.999000 0.2536000       5.008000      0.2765000     -0.8803000E-02  0.3751000
  1 1 1      -3    3   14 o    1.763000      0.4010000       1.660000 0.5439000       1.866000      0.5893000     -0.2062000      0.8019000
  1 1 1      -3    3   15 o    14.84000      0.2280000       14.87000 0.3227000       14.81000      0.3221000      0.6421000E-01  0.4559000
  1 1 1      -3    3   16 o    13.96000      0.2205000       14.03000 0.3109000       13.89000      0.3127000      0.1394000      0.4410000
  1 1 1      -3    3   17 o    9.097000      0.2622000       9.097000 0.2622000                  ?              ?              ?              ?
  1 1 1      -3    3   18 o    6.989000      0.1906000       6.773000 0.2690000       7.204000      0.2700000     -0.4314000      0.3812000
  1 1 1      -3    3   19 o    3.383000      0.4359000                  ?       ?   3.383000      0.4359000                  ?              ?
  1 1 1      -3    3   20 o    8.672000      0.2002000       8.521000 0.2883000       8.823000      0.2780000     -0.3017000      0.4005000
  1 1 1      -3    3   21 o    5.740000      0.2313000       6.060000 0.3161000       5.420000      0.3377000      0.6399000      0.4626000
  1 1 1      -3    3   22 o    9.177000      0.2063000       9.165000 0.2934000       9.188000      0.2900000     -0.2294000E-01  0.4125000
  1 1 1      -3    3   23 o    8.003000      0.2215000       7.983000 0.3134000       8.023000      0.3132000     -0.4033000E-01  0.4431000
  1 1 1      -3    3   24 o    11.77000      0.2238000       11.66000 0.3164000       11.88000      0.3165000     -0.2201000      0.4475000
  1 1 1      -3    3   25 o    7.189000      0.3115000       7.482000 0.4541000       6.896000      0.4264000      0.5853000      0.6229000
  1 1 1      -3    3   26 o    2.547000      0.5768000       2.426000 0.8420000       2.668000      0.7886000     -0.2417000       1.154000
  1 1 1      -3    3   27 o    7.332000      0.2459000       7.377000 0.3498000       7.286000      0.3457000      0.9134000E-01  0.4918000
  1 1 1      -3    3   28 o    6.527000      0.4103000       7.100000 0.5144000       5.953000      0.6393000       1.147000      0.8206000
  1 1 1      -3    3   29 o    1.944000      0.5996000       1.922000 0.8333000       1.966000      0.8623000     -0.4389000E-01   1.199000
  1 1 1      -3    3   30 o    3.798000      0.4668000       3.427000 0.7389000       4.169000      0.5707000     -0.7426000      0.9337000
  1 1 1      -3    3   31 o    8.810000      0.2639000       8.465000 0.3820000       9.155000      0.3642000     -0.6897000      0.5278000
  1 1 1      -3    3   32 o    5.915000      0.3337000       5.472000 0.5011000       6.359000      0.4409000     -0.8870000      0.6674000
  1 1 1      -3    3   33 o    7.398000      0.2989000       7.734000 0.4109000       7.063000      0.4342000      0.6715000      0.5978000
  1 1 1      -3    3   34 o    2.356000      0.5708000       2.904000 0.8371000       1.809000      0.7762000       1.095000       1.142000
  1 1 1      -3    3   35 o    1.719000      0.5335000       1.703000 0.7566000       1.735000      0.7525000     -0.3108000E-01   1.067000
  1 1 1      -3    3   36 o    1.966000      0.5406000       1.497000 0.7036000       2.435000      0.8210000     -0.9383000       1.081000
  1 1 1      -3    3   37 o    1.927000      0.5609000       2.083000 0.8306000       1.771000      0.7541000      0.3118000       1.122000
  1 1 1      -3    4    1 o    14.35000      0.2009000       14.44000 0.2858000       14.25000      0.2825000      0.1937000      0.4018000
  1 1 1      -3    4    2 o    17.03000      0.2363000       16.94000 0.3324000       17.13000      0.3358000     -0.1912000      0.4725000
  1 1 1      -3    4    3 o    7.622000      0.1649000       7.389000 0.2685000       7.855000      0.1914000     -0.4659000      0.3298000
  1 1 1      -3    4    4 o    15.43000      0.2193000       15.36000 0.3089000       15.50000      0.3115000     -0.1348000      0.4387000
  1 1 1      -3    4    5 o    43.47000      0.5835000       43.82000 0.8314000       43.12000      0.8189000      0.7000000       1.167000
  1 1 1      -3    4    6 o    10.33000      0.1664000       10.31000 0.2351000       10.34000      0.2356000     -0.2919000E-01  0.3328000
  1 1 1      -3    4    7 o    3.283000      0.2618000       3.452000 0.3248000       3.115000      0.4107000      0.3371000      0.5236000
  1 1 1      -3    4    8 o    18.66000      0.3252000       18.49000 0.5295000       18.82000      0.3775000     -0.3362000      0.6503000
  1 1 1      -3    4    9 o    12.66000      0.1968000       12.54000 0.2771000       12.78000      0.2795000     -0.2352000      0.3936000
  1 1 1      -3    4   10 o    19.91000      0.4001000       19.57000 0.5598000       20.24000      0.5719000     -0.6702000      0.8003000
  1 1 1      -3    4   11 o    7.165000      0.2358000       7.452000 0.3409000       6.877000      0.3259000      0.5751000      0.4717000
  1 1 1      -3    4   12 o    1.605000      0.3678000       1.386000 0.5019000       1.824000      0.5379000     -0.4379000      0.7356000
  1 1 1      -3    4   13 o    10.29000      0.1845000       10.12000 0.2547000       10.46000      0.2669000     -0.3414000      0.3689000
  1 1 1      -3    4   14 o    9.718000      0.2247000       9.394000 0.2516000       10.04000      0.3724000     -0.6492000      0.4494000
  1 1 1      -3    4   15 o    14.51000      0.2271000       14.63000 0.3190000       14.39000      0.3234000      0.2402000      0.4543000
  1 1 1      -3    4   16 o    8.164000      0.1879000       7.847000 0.2537000       8.481000      0.2771000     -0.6344000      0.3757000
  1 1 1      -3    4   17 o    8.867000      0.1965000       8.601000 0.2648000       9.133000      0.2904000     -0.5315000      0.3930000
  1 1 1      -3    4   18 o    12.06000      0.2134000       12.04000 0.2956000       12.08000      0.3079000     -0.4498000E-01  0.4268000
  1 1 1      -3    4   19 o    5.873000      0.2312000       5.386000 0.3209000       6.361000      0.3329000     -0.9751000      0.4624000
  1 1 1      -3    4   20 o    13.52000      0.2312000       13.77000 0.3251000       13.26000      0.3290000      0.5137000      0.4625000
  1 1 1      -3    4   21 o    11.83000      0.2228000       12.09000 0.3111000       11.58000      0.3191000      0.5128000      0.4456000
  1 1 1      -3    4   22 o    13.27000      0.2347000       13.06000 0.3227000       13.49000      0.3409000     -0.4272000      0.4694000
  1 1 1      -3    4   23 o    3.911000      0.3427000       3.681000 0.4791000       4.141000      0.4901000     -0.4605000      0.6854000
  1 1 1      -3    4   24 o    6.486000      0.3071000       6.128000 0.3352000       6.844000      0.5148000     -0.7156000      0.6143000
  1 1 1      -3    4   25 o    10.52000      0.3264000       10.21000 0.4414000       10.84000      0.4810000     -0.6302000      0.6528000
  1 1 1      -3    4   26 o    8.597000      0.2391000       8.052000 0.3283000       9.142000      0.3478000      -1.089000      0.4783000
  1 1 1      -3    4   27 o    11.80000      0.2496000       11.49000 0.3423000       12.12000      0.3633000     -0.6317000      0.4992000
  1 1 1      -3    4   28 o    9.643000      0.3504000       9.998000 0.4858000       9.287000      0.5052000      0.7114000      0.7009000
  1 1 1      -3    4   29 f    4.404000      0.3920000       4.382000 0.5373000       4.426000      0.5708000     -0.4352000E-01  0.7839000
  1 1 1      -3    4   30 o    4.085000      0.4636000       4.214000 0.5639000       3.955000      0.7359000      0.2596000      0.9271000
  1 1 1      -3    4   31 o    6.816000      0.3341000       7.034000 0.4156000       6.598000      0.5231000      0.4352000      0.6681000
  1 1 1      -3    4   32 o    8.864000      0.3060000       9.726000 0.3738000       8.001000      0.4846000       1.725000      0.6120000
  1 1 1      -3    4   33 o    8.330000      0.3163000       8.165000 0.4123000       8.496000      0.4797000     -0.3308000      0.6325000
  1 1 1      -3    4   34 o    3.208000      0.5832000       3.745000 0.6927000       2.670000      0.9384000       1.075000       1.166000
  1 1 1      -3    4   35 o    2.840000      0.6031000       2.747000 0.8377000       2.934000      0.8679000     -0.1872000       1.206000
  1 1 1      -3    4   36 o    2.100000      0.5307000       2.810000 0.8316000       1.389000      0.6596000       1.420000       1.061000
  1 1 1      -3    4   37 o    3.443000      0.5342000       4.189000 0.6406000       2.697000      0.8549000       1.492000       1.068000
  1 1 1      -3    5    1 o    26.64000      0.3598000       26.56000 0.5074000       26.72000      0.5103000     -0.1623000      0.7196000
  1 1 1      -3    5    2 o    23.48000      0.3192000       23.55000 0.4528000       23.41000      0.4499000      0.1455000      0.6383000
  1 1 1      -3    5    3 o    31.43000      0.4241000       31.49000 0.6011000       31.37000      0.5986000      0.1205000      0.8483000
  1 1 1      -3    5    4 o    7.324000      0.1390000       7.422000 0.1968000       7.225000      0.1965000      0.1969000      0.2781000
  1 1 1      -3    5    5 o    8.681000      0.2113000       8.790000 0.2950000       8.573000      0.3025000      0.2174000      0.4225000
  1 1 1      -3    5    6 o    1.815000      0.3319000       1.057000 0.4740000       2.573000      0.4646000      -1.516000      0.6637000
  1 1 1      -3    5    7 o    12.62000      0.1929000       12.67000 0.2739000       12.57000      0.2718000      0.1049000      0.3858000
  1 1 1      -3    5    8 o    21.47000      0.3001000       21.38000 0.4233000       21.56000      0.4257000     -0.1755000      0.6003000
  1 1 1      -3    5    9 o    22.19000      0.4394000       23.13000 0.6463000       21.26000      0.5955000       1.873000      0.8788000
  1 1 1      -3    5   10 o    6.548000      0.2375000       6.200000 0.3515000       6.896000      0.3194000     -0.6958000      0.4750000
  1 1 1      -3    5   11 o    21.14000      0.2990000       21.02000 0.4208000       21.25000      0.4249000     -0.2299000      0.5980000
  1 1 1      -3    5   12 f    14.10000      0.2199000       14.03000 0.3100000       14.17000      0.3121000     -0.1354000      0.4399000
  1 1 1      -3    5   13 o    15.27000      0.2333000       15.36000 0.3316000       15.17000      0.3283000      0.1837000      0.4666000
  1 1 1      -3    5   14 o    10.91000      0.2362000       10.76000 0.3809000       11.06000      0.2793000     -0.2995000      0.4723000
  1 1 1      -3    5   15 o    4.158000      0.2295000       4.195000 0.2956000       4.122000      0.3511000      0.7334000E-01  0.4590000
  1 1 1      -3    5   16 o    10.53000      0.1984000       10.82000 0.2731000       10.24000      0.2878000      0.5811000      0.3968000
  1 1 1      -3    5   17 o    12.13000      0.2107000       11.98000 0.2883000       12.27000      0.3073000     -0.2900000      0.4213000
  1 1 1      -3    5   18 o    9.837000      0.2025000       9.504000 0.2759000       10.17000      0.2966000     -0.6660000      0.4051000
  1 1 1      -3    5   19 o    1.912000      0.4088000       1.227000 0.5431000       2.597000      0.6111000      -1.370000      0.8175000
  1 1 1      -3    5   20 o    5.746000      0.2372000       5.644000 0.3229000       5.849000      0.3476000     -0.2041000      0.4744000
  1 1 1      -3    5   21 o    8.540000      0.2171000       8.418000 0.2918000       8.662000      0.3217000     -0.2442000      0.4343000
  1 1 1      -3    5   22 o    1.412000      0.4332000       1.209000 0.5456000       1.615000      0.6731000     -0.4068000      0.8665000
  1 1 1      -3    5   23 o    8.849000      0.2267000       8.821000 0.3041000       8.877000      0.3364000     -0.5625000E-01  0.4535000
  1 1 1      -3    5   24 o    19.70000      0.4249000       19.15000 0.5786000       20.26000      0.6224000      -1.113000      0.8498000
  1 1 1      -3    5   25 o    10.39000      0.2376000       10.57000 0.3243000       10.21000      0.3474000      0.3662000      0.4752000
  1 1 1      -3    5   26 o    6.505000      0.2762000       7.022000 0.3430000       5.987000      0.4329000       1.036000      0.5523000
  1 1 1      -3    5   27 o    4.702000      0.5207000       3.585000 0.8455000       5.820000      0.6079000      -2.235000       1.041000
  1 1 1      -3    5   28 o    10.48000      0.2508000       11.11000 0.3414000       9.860000      0.3675000       1.248000      0.5016000
  1 1 1      -3    5   29 o    4.418000      0.4249000       4.269000 0.5652000       4.566000      0.6346000     -0.2971000      0.8498000
  1 1 1      -3    5   30 o    5.792000      0.3465000       5.640000 0.4599000       5.945000      0.5184000     -0.3056000      0.6931000
  1 1 1      -3    5   31 o    3.246000      0.5900000       3.226000 0.7673000       3.266000      0.8965000     -0.3991000E-01   1.180000
  1 1 1      -3    5   32 f    5.493000      0.3836000       5.293000 0.4885000       5.693000      0.5916000     -0.4003000      0.7672000
  1 1 1      -3    5   33 o    9.630000      0.2924000       9.627000 0.3734000       9.633000      0.4500000     -0.5996000E-02  0.5847000
  1 1 1      -3    5   34 o    2.161000      0.5898000       2.333000 0.8203000       1.989000      0.8476000      0.3441000       1.180000
  1 1 1      -3    5   35 o    2.399000      0.6143000       2.189000 0.8369000       2.610000      0.8995000     -0.4209000       1.229000
  1 1 1      -3    5   36 o    1.705000      0.5339000       1.769000 0.7697000       1.640000      0.7400000      0.1290000       1.068000
  1 1 1      -3    5   37 o    2.827000      0.6054000       2.991000 0.8621000       2.663000      0.8503000      0.3276000       1.211000
  1 1 1      -3    6    1 o    5.974000      0.1214000       5.974000 0.1748000       5.975000      0.1685000     -0.7048000E-03  0.2428000
  1 1 1      -3    6    2 o    12.33000      0.2525000       12.42000 0.3595000       12.24000      0.3548000      0.1742000      0.5051000
  1 1 1      -3    6    3 o    28.66000      0.5479000       28.98000 0.7834000       28.35000      0.7662000      0.6310000       1.096000
  1 1 1      -3    6    4 o    9.122000      0.1495000       8.946000 0.2085000       9.297000      0.2144000     -0.3513000      0.2991000
  1 1 1      -3    6    5 f    13.60000      0.2000000       13.77000 0.2854000       13.42000      0.2802000      0.3425000      0.3999000
  1 1 1      -3    6    6 o    20.84000      0.2898000       20.59000 0.4054000       21.09000      0.4141000     -0.4979000      0.5795000
  1 1 1      -3    6    7 o    23.66000      0.4628000       24.16000 0.6680000       23.16000      0.6407000       1.001000      0.9256000
  1 1 1      -3    6    8 o    2.411000      0.4063000       2.270000 0.6086000       2.551000      0.5385000     -0.2804000      0.8127000
  1 1 1      -3    6    9 o    19.67000      0.3439000       20.30000 0.5702000       19.05000      0.3847000       1.255000      0.6878000
  1 1 1      -3    6   10 o    13.92000      0.2149000       14.06000 0.3069000       13.77000      0.3007000      0.2857000      0.4297000
  1 1 1      -3    6   11 o    7.413000      0.1729000       7.235000 0.2432000       7.591000      0.2457000     -0.3563000      0.3457000
  1 1 1      -3    6   12 o    15.71000      0.2365000       15.50000 0.3311000       15.92000      0.3378000     -0.4197000      0.4730000
  1 1 1      -3    6   13 o    4.917000      0.2103000       5.175000 0.2890000       4.659000      0.3055000      0.5159000      0.4205000
  1 1 1      -3    6   14 o    1.881000      0.4200000       1.738000 0.5969000       2.024000      0.5909000     -0.2856000      0.8399000
  1 1 1      -3    6   15 o    6.132000      0.2021000       6.314000 0.2788000       5.950000      0.2925000      0.3631000      0.4041000
  1 1 1      -3    6   16 o    6.277000      0.2060000       6.405000 0.2841000       6.148000      0.2984000      0.2569000      0.4120000
  1 1 1      -3    6   17 o    1.995000      0.4340000       2.005000 0.5798000       1.985000      0.6459000      0.1941000E-01  0.8680000
  1 1 1      -3    6   18 o    10.41000      0.2506000       10.23000 0.2803000       10.58000      0.4156000     -0.3452000      0.5013000
  1 1 1      -3    6   19 o    3.526000      0.3386000       3.389000 0.4615000       3.663000      0.4957000     -0.2734000      0.6773000
  1 1 1      -3    6   20 f    11.19000      0.2170000       11.16000 0.2959000       11.23000      0.3175000     -0.6762000E-01  0.4340000
  1 1 1      -3    6   21 o    1.810000      0.4825000       1.775000 0.6688000       1.845000      0.6956000     -0.6988000E-01  0.9650000
  1 1 1      -3    6   22 o    7.231000      0.2340000       7.161000 0.3189000       7.302000      0.3424000     -0.1415000      0.4679000
  1 1 1      -3    6   23 o    1.546000      0.4934000       1.491000 0.6578000       1.601000      0.7355000     -0.1095000      0.9867000
  1 1 1      -3    6   24 o    13.61000      0.2994000       13.39000 0.3333000       13.83000      0.4973000     -0.4350000      0.5987000
  1 1 1      -3    6   25 o    5.920000      0.2855000       6.151000 0.3852000       5.689000      0.4215000      0.4613000      0.5710000
  1 1 1      -3    6   26 o    6.840000      0.3820000       7.603000 0.4882000       6.077000      0.5878000       1.525000      0.7641000
  1 1 1      -3    6   27 o    4.282000      0.3736000       4.096000 0.5353000       4.469000      0.5214000     -0.3735000      0.7473000
  1 1 1      -3    6   28 o    8.440000      0.2596000       8.172000 0.3486000       8.708000      0.3848000     -0.5360000      0.5192000
  1 1 1      -3    6   29 o    4.703000      0.3922000       4.577000 0.5260000       4.829000      0.5820000     -0.2521000      0.7844000
  1 1 1      -3    6   30 o    5.752000      0.3429000       5.225000 0.4658000       6.279000      0.5034000      -1.054000      0.6859000
  1 1 1      -3    6   31 o    3.981000      0.5207000       4.642000 0.5627000       3.321000      0.8764000       1.321000       1.041000
  1 1 1      -3    6   32 o    3.841000      0.5240000       2.831000 0.8128000       4.850000      0.6616000      -2.019000       1.048000
  1 1 1      -3    6   33 o    5.718000      0.3971000       5.623000 0.5053000       5.814000      0.6126000     -0.1913000      0.7941000
  1 1 1      -3    6   34 o    6.292000      0.3524000       6.227000 0.4528000       6.358000      0.5400000     -0.1315000      0.7047000
  1 1 1      -3    6   35 o    2.148000      0.5858000       2.497000 0.8618000       1.799000      0.7937000      0.6975000       1.172000
  1 1 1      -3    6   36 o    2.566000      0.6040000       2.780000 0.8429000       2.352000      0.8652000      0.4278000       1.208000
  1 1 1      -3    6   37 o    5.042000      0.4095000       5.232000 0.5634000       4.852000      0.5943000      0.3802000      0.8189000
  1 1 1      -3    7    1 o    15.34000      0.2664000       15.15000 0.4348000       15.54000      0.3079000     -0.3862000      0.5328000
  1 1 1      -3    7    2 o    7.797000      0.1365000       7.977000 0.1962000       7.617000      0.1899000      0.3608000      0.2731000
  1 1 1      -3    7    3 o    22.19000      0.3037000       22.12000 0.4286000       22.25000      0.4303000     -0.1326000      0.6074000
  1 1 1      -3    7    4 o    7.013000      0.1592000       6.896000 0.1856000       7.130000      0.2586000     -0.2344000      0.3183000
  1 1 1      -3    7    5 o    11.11000      0.2496000       11.05000 0.3533000       11.17000      0.3528000     -0.1215000      0.4992000
  1 1 1      -3    7    6 o    19.33000      0.3846000       19.88000 0.5592000       18.77000      0.5281000       1.106000      0.7692000
  1 1 1      -3    7    7 o    9.621000      0.1674000       9.522000 0.2368000       9.720000      0.2366000     -0.1980000      0.3348000
  1 1 1      -3    7    8 o    35.83000      0.4850000       35.76000 0.6845000       35.91000      0.6874000     -0.1507000      0.9700000
  1 1 1      -3    7    9 o    15.08000      0.2254000       15.09000 0.3189000       15.08000      0.3186000      0.1073000E-01  0.4508000
  1 1 1      -3    7   10 o    11.01000      0.1865000       10.98000 0.2643000       11.03000      0.2632000     -0.5719000E-01  0.3730000
  1 1 1      -3    7   11 o    10.37000      0.1846000       10.34000 0.2618000       10.41000      0.2603000     -0.6511000E-01  0.3692000
  1 1 1      -3    7   12 o    11.73000      0.1981000       11.91000 0.2821000       11.55000      0.2781000      0.3605000      0.3961000
  1 1 1      -3    7   13 o    4.456000      0.2203000       4.386000 0.3142000       4.525000      0.3089000     -0.1393000      0.4406000
  1 1 1      -3    7   14 o    7.505000      0.1871000       7.315000 0.2683000       7.696000      0.2609000     -0.3813000      0.3742000
  1 1 1      -3    7   15 o    6.949000      0.1982000       7.122000 0.2761000       6.776000      0.2843000      0.3455000      0.3963000
  1 1 1      -3    7   16 o    5.885000      0.2174000       5.804000 0.3056000       5.966000      0.3093000     -0.1614000      0.4348000
  1 1 1      -3    7   17 o    6.103000      0.2197000       5.871000 0.3116000       6.334000      0.3099000     -0.4633000      0.4394000
  1 1 1      -3    7   18 o    5.343000      0.3479000       5.343000 0.3479000                  ?              ?              ?              ?
  1 1 1      -3    7   19 o    7.812000      0.2075000       7.744000 0.2803000       7.880000      0.3062000     -0.1369000      0.4151000
  1 1 1      -3    7   20 o    7.444000      0.3180000                  ?       ?   7.444000      0.3180000                  ?              ?
  1 1 1      -3    7   21 o    7.398000      0.3219000       7.183000 0.4351000       7.614000      0.4744000     -0.4315000      0.6437000
  1 1 1      -3    7   22 o    9.917000      0.3095000       9.695000 0.4210000       10.14000      0.4539000     -0.4438000      0.6190000
  1 1 1      -3    7   23 o    10.75000      0.2249000       10.82000 0.3081000       10.69000      0.3276000      0.1337000      0.4498000
  1 1 1      -3    7   24 o    4.374000      0.3293000       4.422000 0.4367000       4.325000      0.4931000      0.9667000E-01  0.6587000
  1 1 1      -3    7   25 o    12.89000      0.3453000       12.41000 0.4839000       13.36000      0.4927000     -0.9465000      0.6906000
  1 1 1      -3    7   26 o    2.531000      0.5235000       2.495000 0.7093000       2.567000      0.7701000     -0.7180000E-01   1.047000
  1 1 1      -3    7   27 o    10.22000      0.2494000       10.47000 0.3397000       9.962000      0.3653000      0.5106000      0.4989000
  1 1 1      -3    7   28 o    2.632000      0.5631000       2.592000 0.7498000       2.671000      0.8402000     -0.7868000E-01   1.126000
  1 1 1      -3    7   29 o    2.600000      0.5761000       2.241000 0.7985000       2.959000      0.8306000     -0.7184000       1.152000
  1 1 1      -3    7   30 o    3.046000      0.5599000       3.401000 0.6921000       2.691000      0.8803000      0.7095000       1.120000
  1 1 1      -3    7   31 o    9.993000      0.2698000       9.931000 0.3610000       10.05000      0.4010000     -0.1239000      0.5395000
  1 1 1      -3    7   32 o    2.864000      0.6225000       2.907000 0.8176000       2.820000      0.9390000      0.8757000E-01   1.245000
  1 1 1      -3    7   33 o    4.285000      0.4979000       4.810000 0.5645000       3.760000      0.8204000       1.050000      0.9958000
  1 1 1      -3    7   34 o    7.555000      0.3228000       7.908000 0.4123000       7.202000      0.4968000      0.7067000      0.6456000
  1 1 1      -3    7   35 o    1.917000      0.5675000       1.907000 0.7885000       1.927000      0.8165000     -0.2002000E-01   1.135000
  1 1 1      -3    7   36 o    3.264000      0.5748000       3.919000 0.7133000       2.608000      0.9016000       1.311000       1.150000
  1 1 1      -3    7   37 o    3.881000      0.5185000       5.053000 0.5887000       2.708000      0.8537000       2.345000       1.037000
  1 1 1      -3    8    1 o    20.33000      0.3954000       20.29000 0.5577000       20.36000      0.5607000     -0.7125000E-01  0.7908000
  1 1 1      -3    8    2 o    3.540000      0.2325000       3.952000 0.2999000       3.128000      0.3555000      0.8247000      0.4651000
  1 1 1      -3    8    3 o    15.81000      0.3171000       15.55000 0.4422000       16.07000      0.4546000     -0.5246000      0.6342000
  1 1 1      -3    8    4 o    18.37000      0.2569000       18.39000 0.3637000       18.35000      0.3629000      0.4301000E-01  0.5138000
  1 1 1      -3    8    5 o    23.74000      0.3258000       23.68000 0.4601000       23.80000      0.4614000     -0.1216000      0.6516000
  1 1 1      -3    8    6 o    15.99000      0.2304000       16.18000 0.3297000       15.81000      0.3218000      0.3667000      0.4608000
  1 1 1      -3    8    7 o    6.476000      0.2220000       6.438000 0.3081000       6.515000      0.3198000     -0.7741000E-01  0.4441000
  1 1 1      -3    8    8 o    4.261000      0.1833000       4.288000 0.2549000       4.235000      0.2635000      0.5295000E-01  0.3667000
  1 1 1      -3    8    9 o    17.91000      0.2580000       17.80000 0.3628000       18.03000      0.3669000     -0.2297000      0.5160000
  1 1 1      -3    8   10 o    2.985000      0.2692000       3.040000 0.3726000       2.930000      0.3887000      0.1101000      0.5384000
  1 1 1      -3    8   11 f    4.515000      0.2058000       4.495000 0.2922000       4.535000      0.2898000     -0.3943000E-01  0.4115000
  1 1 1      -3    8   12 f    12.24000      0.2026000       12.16000 0.2879000       12.31000      0.2851000     -0.1486000      0.4052000
  1 1 1      -3    8   13 o    7.433000      0.1836000       7.091000 0.2604000       7.774000      0.2589000     -0.6831000      0.3672000
  1 1 1      -3    8   14 o    5.212000      0.2135000       5.089000 0.3073000       5.335000      0.2964000     -0.2461000      0.4270000
  1 1 1      -3    8   15 o    4.343000      0.2458000       4.186000 0.3570000       4.500000      0.3380000     -0.3145000      0.4916000
  1 1 1      -3    8   16 o    13.39000      0.2233000       13.58000 0.3182000       13.19000      0.3134000      0.3853000      0.4466000
  1 1 1      -3    8   17 o    5.888000      0.2259000       5.990000 0.3114000       5.787000      0.3273000      0.2030000      0.4518000
  1 1 1      -3    8   18 o    3.369000      0.3727000       3.670000 0.4777000       3.068000      0.5724000      0.6017000      0.7455000
  1 1 1      -3    8   19 o    9.543000      0.2161000       9.544000 0.3047000       9.542000      0.3064000      0.2021000E-02  0.4321000
  1 1 1      -3    8   20 o    6.606000      0.4930000                  ?       ?   6.606000      0.4930000                  ?              ?
  1 1 1      -3    8   21 f    6.559000      0.3405000       6.464000 0.4626000       6.654000      0.4999000     -0.1894000      0.6811000
  1 1 1      -3    8   22 o    11.54000      0.2303000       11.92000 0.3203000       11.16000      0.3310000      0.7557000      0.4606000
  1 1 1      -3    8   23 o    3.937000      0.3308000       4.078000 0.3890000       3.797000      0.5351000      0.2816000      0.6615000
  1 1 1      -3    8   24 o    7.711000      0.3438000       7.775000 0.4822000       7.647000      0.4903000      0.1289000      0.6877000
  1 1 1      -3    8   25 o    1.915000      0.5024000       1.496000 0.6465000       2.334000      0.7691000     -0.8382000       1.005000
  1 1 1      -3    8   26 o    6.370000      0.2720000       6.483000 0.3522000       6.257000      0.4145000      0.2256000      0.5439000
  1 1 1      -3    8   27 o    10.94000      0.2493000       11.15000 0.3310000       10.73000      0.3729000      0.4209000      0.4986000
  1 1 1      -3    8   28 o    3.447000      0.4766000       3.920000 0.5685000       2.974000      0.7652000      0.9452000      0.9532000
  1 1 1      -3    8   29 o    4.671000      0.3826000       4.332000 0.5437000       5.011000      0.5385000     -0.6792000      0.7652000
  1 1 1      -3    8   30 o    6.887000      0.3840000       6.459000 0.4373000       7.316000      0.6312000     -0.8572000      0.7679000
  1 1 1      -3    8   31 o    8.295000      0.2996000       8.459000 0.3888000       8.131000      0.4560000      0.3281000      0.5992000
  1 1 1      -3    8   32 o    1.667000      0.5300000       1.504000 0.6827000       1.831000      0.8108000     -0.3272000       1.060000
  1 1 1      -3    8   33 o    6.312000      0.3730000       7.356000 0.4365000       5.267000      0.6050000       2.089000      0.7460000
  1 1 1      -3    8   34 o    6.882000      0.3312000       6.672000 0.4546000       7.091000      0.4817000     -0.4192000      0.6624000
  1 1 1      -3    8   35 o    2.928000      0.5997000       2.626000 0.8451000       3.231000      0.8511000     -0.6048000       1.199000
  1 1 1      -3    8   36 f    2.206000      0.6017000       2.130000 0.8256000       2.283000      0.8755000     -0.1538000       1.203000
  1 1 1      -3    9    1 f    6.144000      0.2394000       5.753000 0.4317000       6.536000      0.2071000     -0.7833000      0.4788000
  1 1 1      -3    9    2 o    22.96000      0.3162000       22.30000 0.4361000       23.63000      0.4580000      -1.337000      0.6324000
  1 1 1      -3    9    3 o    5.404000      0.1466000       5.300000 0.2153000       5.507000      0.1989000     -0.2066000      0.2931000
  1 1 1      -3    9    4 o    8.748000      0.1530000       8.648000 0.2172000       8.849000      0.2156000     -0.2007000      0.3060000
  1 1 1      -3    9    5 o    4.975000      0.1585000       4.956000 0.2284000       4.994000      0.2198000     -0.3828000E-01  0.3170000
  1 1 1      -3    9    6 f    33.71000      0.4559000       33.48000 0.6411000       33.93000      0.6483000     -0.4515000      0.9117000
  1 1 1      -3    9    7 o    10.59000      0.1747000       10.57000 0.2480000       10.62000      0.2461000     -0.5712000E-01  0.3494000
  1 1 1      -3    9    8 o    9.481000      0.2005000       9.064000 0.3196000       9.899000      0.2423000     -0.8345000      0.4010000
  1 1 1      -3    9    9 o    10.44000      0.1797000       10.58000 0.2553000       10.30000      0.2530000      0.2836000      0.3594000
  1 1 1      -3    9   10 o    12.30000      0.1976000       12.61000 0.2842000       12.00000      0.2747000      0.6075000      0.3952000
  1 1 1      -3    9   11 o    16.63000      0.2461000       16.80000 0.3511000       16.47000      0.3449000      0.3304000      0.4922000
  1 1 1      -3    9   12 o    2.535000      0.3516000       2.501000 0.5012000       2.568000      0.4933000     -0.6707000E-01  0.7033000
  1 1 1      -3    9   13 o    11.41000      0.1991000       11.66000 0.2844000       11.16000      0.2788000      0.5015000      0.3983000
  1 1 1      -3    9   14 o    2.208000      0.3885000       2.749000 0.4919000       1.668000      0.6014000       1.080000      0.7769000
  1 1 1      -3    9   15 o    5.305000      0.2223000       5.087000 0.3233000       5.523000      0.3053000     -0.4357000      0.4447000
  1 1 1      -3    9   16 o    6.951000      0.2062000       6.884000 0.2942000       7.018000      0.2890000     -0.1345000      0.4124000
  1 1 1      -3    9   17 o    4.366000      0.2775000       4.532000 0.3767000       4.200000      0.4076000      0.3327000      0.5550000
  1 1 1      -3    9   18 o    1.479000      0.4619000       1.274000 0.5692000       1.683000      0.7277000     -0.4091000      0.9239000
  1 1 1      -3    9   19 o    10.39000      0.2934000       10.49000 0.4093000       10.29000      0.4206000      0.1977000      0.5869000
  1 1 1      -3    9   20 o    2.436000      0.4736000       2.797000 0.6600000       2.075000      0.6795000      0.7224000      0.9472000
  1 1 1      -3    9   21 o    4.840000      0.3109000       5.262000 0.4069000       4.418000      0.4701000      0.8435000      0.6218000
  1 1 1      -3    9   22 f    6.452000      0.3904000       6.600000 0.6012000       6.304000      0.4981000      0.2958000      0.7807000
  1 1 1      -3    9   23 o    7.354000      0.4951000                  ?       ?   7.354000      0.4951000                  ?              ?
  1 1 1      -3    9   24 o    10.68000      0.2340000       10.35000 0.3209000       11.00000      0.3407000     -0.6499000      0.4681000
  1 1 1      -3    9   25 o    8.465000      0.2452000       8.001000 0.3361000       8.930000      0.3570000     -0.9290000      0.4903000
  1 1 1      -3    9   26 o    1.954000      0.5329000       1.671000 0.7047000       2.238000      0.7997000     -0.5664000       1.066000
  1 1 1      -3    9   27 o    3.526000      0.4830000       4.539000 0.4901000       2.513000      0.8324000       2.026000      0.9659000
  1 1 1      -3    9   28 o    6.466000      0.3012000       6.875000 0.3802000       6.056000      0.4671000      0.8189000      0.6023000
  1 1 1      -3    9   29 o    2.663000      0.5741000       2.490000 0.7926000       2.835000      0.8308000     -0.3451000       1.148000
  1 1 1      -3    9   30 o    8.170000      0.2801000       8.087000 0.3691000       8.253000      0.4215000     -0.1660000      0.5602000
  1 1 1      -3    9   31 o    3.685000      0.5298000       3.985000 0.6222000       3.384000      0.8577000      0.6011000       1.060000
  1 1 1      -3    9   32 o    4.248000      0.4913000       4.867000 0.5380000       3.630000      0.8222000       1.237000      0.9825000
  1 1 1      -3    9   33 o    4.044000      0.5275000       4.019000 0.6821000       4.069000      0.8050000     -0.5038000E-01   1.055000
  1 1 1      -3    9   34 o    3.546000      0.5795000       3.364000 0.8000000       3.728000      0.8387000     -0.3640000       1.159000
  1 1 1      -3    9   35 o    1.861000      0.5541000       2.029000 0.8018000       1.693000      0.7650000      0.3361000       1.108000
  1 1 1      -3    9   36 o    2.761000      0.6159000       2.944000 0.8656000       2.578000      0.8764000      0.3657000       1.232000
  1 1 1      -3   10    1 o    17.00000      0.2509000       17.06000 0.3632000       16.94000      0.3462000      0.1190000      0.5017000
  1 1 1      -3   10    2 o    20.52000      0.2863000       20.19000 0.4007000       20.86000      0.4091000     -0.6687000      0.5727000
  1 1 1      -3   10    3 o    10.75000      0.1755000       10.86000 0.2543000       10.63000      0.2420000      0.2324000      0.3511000
  1 1 1      -3   10    4 o    21.64000      0.2996000       21.23000 0.4170000       22.05000      0.4302000     -0.8169000      0.5992000
  1 1 1      -3   10    5 o    9.812000      0.1655000       9.721000 0.2355000       9.903000      0.2327000     -0.1829000      0.3310000
  1 1 1      -3   10    6 o    15.57000      0.2267000       15.70000 0.3232000       15.44000      0.3180000      0.2645000      0.4534000
  1 1 1      -3   10    7 o    4.238000      0.1859000       4.106000 0.2751000       4.370000      0.2501000     -0.2634000      0.3718000
  1 1 1      -3   10    8 o    4.422000      0.1845000       4.296000 0.2675000       4.547000      0.2543000     -0.2516000      0.3691000
  1 1 1      -3   10    9 o    5.476000      0.1750000       5.398000 0.2483000       5.555000      0.2467000     -0.1574000      0.3501000
  1 1 1      -3   10   10 o    9.346000      0.1760000       9.323000 0.2477000       9.368000      0.2502000     -0.4509000E-01  0.3521000
  1 1 1      -3   10   11 o    3.459000      0.2535000       3.655000 0.3390000       3.262000      0.3770000      0.3926000      0.5069000
  1 1 1      -3   10   12 o    17.83000      0.2611000       17.81000 0.3686000       17.85000      0.3700000     -0.3954000E-01  0.5223000
  1 1 1      -3   10   13 o    5.373000      0.2078000       5.099000 0.3006000       5.648000      0.2870000     -0.5484000      0.4156000
  1 1 1      -3   10   14 o    9.329000      0.1930000       9.291000 0.2763000       9.367000      0.2695000     -0.7595000E-01  0.3860000
  1 1 1      -3   10   15 o    6.592000      0.2042000       6.463000 0.2940000       6.722000      0.2835000     -0.2587000      0.4084000
  1 1 1      -3   10   16 o    7.677000      0.2021000       7.700000 0.2876000       7.654000      0.2839000      0.4674000E-01  0.4041000
  1 1 1      -3   10   17 o    1.833000      0.5080000       1.392000 0.6236000       2.274000      0.8021000     -0.8817000       1.016000
  1 1 1      -3   10   18 o    8.223000      0.2845000       8.220000 0.3868000       8.227000      0.4173000     -0.7017000E-02  0.5690000
  1 1 1      -3   10   19 o    6.272000      0.2378000       6.233000 0.3422000       6.311000      0.3304000     -0.7776000E-01  0.4756000
  1 1 1      -3   10   20 o    6.828000      0.2408000       6.851000 0.3431000       6.805000      0.3379000      0.4604000E-01  0.4816000
  1 1 1      -3   10   21 o    6.211000      0.4200000       6.060000 0.6801000       6.362000      0.4931000     -0.3018000      0.8400000
  1 1 1      -3   10   22 o    5.964000      0.2787000       5.841000 0.3963000       6.087000      0.3921000     -0.2458000      0.5575000
  1 1 1      -3   10   23 o    10.97000      0.2384000       11.22000 0.3386000       10.72000      0.3358000      0.4982000      0.4769000
  1 1 1      -3   10   24 o    6.880000      0.2670000       6.968000 0.3829000       6.792000      0.3724000      0.1761000      0.5341000
  1 1 1      -3   10   25 o    6.539000      0.2724000       6.587000 0.3637000       6.491000      0.4055000      0.9577000E-01  0.5447000
  1 1 1      -3   10   26 o    9.710000      0.2502000       9.414000 0.3419000       10.01000      0.3655000     -0.5919000      0.5005000
  1 1 1      -3   10   27 o    6.915000      0.2801000       7.102000 0.3660000       6.728000      0.4240000      0.3748000      0.5602000
  1 1 1      -3   10   28 o    6.805000      0.2984000       6.746000 0.3899000       6.864000      0.4518000     -0.1182000      0.5968000
  1 1 1      -3   10   29 o    7.478000      0.2943000       7.034000 0.3948000       7.923000      0.4366000     -0.8894000      0.5886000
  1 1 1      -3   10   30 o    2.351000      0.5705000       2.785000 0.8018000       1.916000      0.8117000      0.8688000       1.141000
  1 1 1      -3   10   31 o    2.839000      0.5990000       3.114000 0.7793000       2.563000      0.9100000      0.5504000       1.198000
  1 1 1      -3   10   32 o    3.723000      0.5376000       3.590000 0.7253000       3.856000      0.7936000     -0.2660000       1.075000
  1 1 1      -3   10   33 o    2.188000      0.5894000       2.510000 0.8546000       1.865000      0.8120000      0.6454000       1.179000
  1 1 1      -3   10   34 o    2.263000      0.6108000       2.166000 0.8274000       2.360000      0.8986000     -0.1945000       1.222000
  1 1 1      -3   10   35 o    2.250000      0.6443000       1.669000 0.7285000       2.830000       1.063000      -1.162000       1.289000
  1 1 1      -3   10   36 o    5.886000      0.8011000       5.886000 0.8011000                  ?              ?              ?              ?
  1 1 1      -3   11    1 o    16.11000      0.2471000       16.07000 0.3587000       16.14000      0.3400000     -0.6738000E-01  0.4943000
  1 1 1      -3   11    2 o    5.163000      0.1861000       5.248000 0.2714000       5.077000      0.2547000      0.1712000      0.3722000
  1 1 1      -3   11    3 f    7.235000      0.1867000       7.553000 0.2969000       6.918000      0.2264000      0.6357000      0.3734000
  1 1 1      -3   11    4 o    17.52000      0.2512000       17.57000 0.3581000       17.48000      0.3525000      0.8941000E-01  0.5025000
  1 1 1      -3   11    5 o    15.17000      0.2211000       15.01000 0.3110000       15.32000      0.3143000     -0.3065000      0.4422000
  1 1 1      -3   11    6 o    6.394000      0.1593000       6.475000 0.2276000       6.313000      0.2229000      0.1616000      0.3186000
  1 1 1      -3   11    7 o    4.393000      0.1884000       4.526000 0.2666000       4.261000      0.2662000      0.2646000      0.3768000
  1 1 1      -3   11    8 o    6.596000      0.1617000       6.385000 0.2302000       6.808000      0.2270000     -0.4232000      0.3233000
  1 1 1      -3   11    9 o    9.355000      0.1736000       9.440000 0.2467000       9.270000      0.2443000      0.1692000      0.3472000
  1 1 1      -3   11   10 o    5.739000      0.1847000       5.524000 0.2656000       5.953000      0.2567000     -0.4288000      0.3694000
  1 1 1      -3   11   11 o    5.003000      0.2018000       5.061000 0.2855000       4.944000      0.2853000      0.1175000      0.4036000
  1 1 1      -3   11   12 o    2.335000      0.3702000       2.531000 0.4932000       2.140000      0.5522000      0.3916000      0.7403000
  1 1 1      -3   11   13 o    1.921000      0.4137000       1.786000 0.5895000       2.057000      0.5805000     -0.2709000      0.8274000
  1 1 1      -3   11   14 o    6.158000      0.2060000       6.227000 0.2926000       6.089000      0.2901000      0.1386000      0.4121000
  1 1 1      -3   11   15 o    3.576000      0.4110000       3.646000 0.5295000       3.506000      0.6289000      0.1395000      0.8221000
  1 1 1      -3   11   16 o    1.679000      0.4860000       1.564000 0.6553000       1.794000      0.7179000     -0.2297000      0.9720000
  1 1 1      -3   11   17 f    5.216000      0.2504000       4.704000 0.3758000       5.728000      0.3312000      -1.024000      0.5009000
  1 1 1      -3   11   18 o    10.92000      0.2186000       10.80000 0.3074000       11.05000      0.3110000     -0.2476000      0.4372000
  1 1 1      -3   11   19 o    2.600000      0.9277000       2.600000 0.9277000                  ?              ?              ?              ?
  1 1 1      -3   11   20 o    8.253000      0.3582000       7.890000 0.5490000       8.616000      0.4601000     -0.7264000      0.7163000
  1 1 1      -3   11   21 o    7.992000      0.3290000                  ?       ?   7.992000      0.3290000                  ?              ?
  1 1 1      -3   11   22 o    12.23000      0.2399000       12.10000 0.3407000       12.37000      0.3378000     -0.2788000      0.4798000
  1 1 1      -3   11   23 o    3.940000      0.4231000       4.586000 0.4734000       3.294000      0.7015000       1.292000      0.8462000
  1 1 1      -3   11   24 o    6.892000      0.2671000       7.059000 0.3743000       6.726000      0.3810000      0.3334000      0.5341000
  1 1 1      -3   11   25 o    12.96000      0.2560000       13.07000 0.3625000       12.84000      0.3616000      0.2282000      0.5121000
  1 1 1      -3   11   26 o    6.694000      0.2911000       6.626000 0.4172000       6.762000      0.4062000     -0.1362000      0.5823000
  1 1 1      -3   11   27 o    4.990000      0.3492000       5.215000 0.4294000       4.765000      0.5508000      0.4503000      0.6984000
  1 1 1      -3   11   28 o    8.776000      0.2694000       8.083000 0.3668000       9.469000      0.3947000      -1.386000      0.5389000
  1 1 1      -3   11   29 f    7.199000      0.2991000       7.154000 0.3843000       7.244000      0.4585000     -0.9044000E-01  0.5983000
  1 1 1      -3   11   30 o    1.967000      0.5795000       1.797000 0.7663000       2.136000      0.8695000     -0.3397000       1.159000
  1 1 1      -3   11   31 o    3.711000      0.5508000       3.983000 0.6604000       3.439000      0.8818000      0.5441000       1.102000
  1 1 1      -3   11   32 o    2.149000      0.5942000       2.359000 0.8395000       1.938000      0.8412000      0.4215000       1.188000
  1 1 1      -3   11   33 o    3.539000      0.5602000       4.380000 0.6162000       2.697000      0.9357000       1.683000       1.120000
  1 1 1      -3   11   34 o    3.342000      0.7319000       2.938000 0.9734000       3.745000       1.093000     -0.8068000       1.464000
  1 1 1      -3   11   35 o    2.670000      0.7265000       2.277000 0.9579000       3.062000       1.093000     -0.7859000       1.453000
  1 1 1      -3   12    1 o    13.85000      0.2643000       14.21000 0.4251000       13.49000      0.3141000      0.7188000      0.5285000
  1 1 1      -3   12    2 o    3.527000      0.2693000       3.585000 0.3874000       3.469000      0.3742000      0.1157000      0.5386000
  1 1 1      -3   12    3 o    9.527000      0.2084000       9.840000 0.3369000       9.214000      0.2453000      0.6258000      0.4167000
  1 1 1      -3   12    4 o    9.379000      0.1778000       9.394000 0.2607000       9.364000      0.2419000      0.2930000E-01  0.3556000
  1 1 1      -3   12    5 o    6.900000      0.1660000       6.888000 0.2367000       6.912000      0.2329000     -0.2447000E-01  0.3321000
  1 1 1      -3   12    6 o    1.151000      0.3378000      0.8789000 0.4200000       1.423000      0.5293000     -0.5445000      0.6757000
  1 1 1      -3   12    7 o    2.860000      0.2756000       3.228000 0.3569000       2.491000      0.4201000      0.7375000      0.5512000
  1 1 1      -3   12    8 o    6.286000      0.1734000       6.428000 0.2481000       6.145000      0.2425000      0.2831000      0.3469000
  1 1 1      -3   12    9 f    17.21000      0.2504000       17.11000 0.3533000       17.32000      0.3549000     -0.2076000      0.5008000
  1 1 1      -3   12   10 o    12.34000      0.2014000       12.27000 0.2854000       12.41000      0.2841000     -0.1437000      0.4027000
  1 1 1      -3   12   11 o    7.080000      0.1773000       7.332000 0.2523000       6.828000      0.2490000      0.5037000      0.3545000
  1 1 1      -3   12   12 o    12.05000      0.2049000       11.92000 0.2893000       12.17000      0.2902000     -0.2519000      0.4098000
  1 1 1      -3   12   13 o    2.747000      0.4497000       2.489000 0.6396000       3.006000      0.6323000     -0.5174000      0.8994000
  1 1 1      -3   12   14 o    3.146000      0.4368000       3.850000 0.4757000       2.441000      0.7327000       1.409000      0.8736000
  1 1 1      -3   12   15 o    5.323000      0.2285000       5.446000 0.3169000       5.201000      0.3294000      0.2451000      0.4571000
  1 1 1      -3   12   16 o    3.988000      0.2897000       4.227000 0.3680000       3.749000      0.4474000      0.4779000      0.5793000
  1 1 1      -3   12   17 o    2.593000      0.5728000       2.219000 0.8531000       2.967000      0.7647000     -0.7482000       1.146000
  1 1 1      -3   12   18 o    13.75000      0.3493000       13.29000 0.5026000       14.21000      0.4853000     -0.9133000      0.6987000
  1 1 1      -3   12   19 o    2.401000      0.6939000       2.401000 0.6939000                  ?              ?              ?              ?
  1 1 1      -3   12   20 o    2.849000      0.4544000       2.825000 0.6465000       2.874000      0.6388000     -0.4962000E-01  0.9089000
  1 1 1      -3   12   21 o    11.35000      0.3311000                  ?       ?   11.35000      0.3311000                  ?              ?
  1 1 1      -3   12   22 o    5.742000      0.2863000       5.625000 0.4234000       5.859000      0.3855000     -0.2341000      0.5726000
  1 1 1      -3   12   23 o    10.18000      0.2411000       10.08000 0.3445000       10.28000      0.3373000     -0.2003000      0.4821000
  1 1 1      -3   12   24 o    5.235000      0.3316000       5.476000 0.4399000       4.994000      0.4962000      0.4820000      0.6631000
  1 1 1      -3   12   25 o    2.834000      0.5462000       3.058000 0.7292000       2.611000      0.8133000      0.4469000       1.092000
  1 1 1      -3   12   26 o    3.376000      0.5172000       2.800000 0.7891000       3.952000      0.6688000      -1.152000       1.034000
  1 1 1      -3   12   27 o    3.885000      0.4725000       3.195000 0.7487000       4.576000      0.5765000      -1.381000      0.9449000
  1 1 1      -3   12   28 o    8.065000      0.2856000       7.672000 0.4116000       8.458000      0.3961000     -0.7861000      0.5712000
  1 1 1      -3   12   29 o    3.733000      0.4973000       3.749000 0.6167000       3.716000      0.7803000      0.3331000E-01  0.9946000
  1 1 1      -3   12   30 o    4.549000      0.4350000       4.678000 0.5342000       4.421000      0.6866000      0.2568000      0.8699000
  1 1 1      -3   12   31 o    3.733000      0.5206000       3.323000 0.7467000       4.143000      0.7256000     -0.8204000       1.041000
  1 1 1      -3   12   32 o    4.345000      0.4770000       4.465000 0.6058000       4.225000      0.7371000      0.2404000      0.9541000
  1 1 1      -3   12   33 o    2.230000      0.6662000       2.469000 0.9617000       1.992000      0.9221000      0.4777000       1.332000
  1 1 1      -3   12   34 o    3.313000      0.5846000       2.641000 0.8555000       3.985000      0.7970000      -1.345000       1.169000
  1 1 1      -3   12   35 o    2.206000      0.5943000       2.475000 0.8626000       1.936000      0.8179000      0.5382000       1.189000
  1 1 1      -3   13    1 o    3.934000      0.3339000       3.703000 0.4946000       4.165000      0.4487000     -0.4622000      0.6678000
  1 1 1      -3   13    2 o    6.909000      0.2074000       6.736000 0.3014000       7.081000      0.2851000     -0.3442000      0.4148000
  1 1 1      -3   13    3 o    7.547000      0.1910000       7.827000 0.2846000       7.266000      0.2549000      0.5608000      0.3821000
  1 1 1      -3   13    4 o    3.806000      0.2474000       3.848000 0.3637000       3.765000      0.3354000      0.8249000E-01  0.4947000
  1 1 1      -3   13    5 o    5.652000      0.1820000       5.777000 0.2681000       5.526000      0.2462000      0.2508000      0.3640000
  1 1 1      -3   13    6 f    6.614000      0.1788000       6.598000 0.2583000       6.630000      0.2472000     -0.3147000E-01  0.3576000
  1 1 1      -3   13    7 o    5.475000      0.1843000       5.555000 0.2675000       5.395000      0.2536000      0.1598000      0.3686000
  1 1 1      -3   13    8 o    10.38000      0.1844000       10.18000 0.2620000       10.58000      0.2594000     -0.3988000      0.3687000
  1 1 1      -3   13    9 o    13.61000      0.2128000       13.47000 0.3013000       13.74000      0.3006000     -0.2620000      0.4256000
  1 1 1      -3   13   10 o    13.22000      0.2946000       13.38000 0.4180000       13.06000      0.4151000      0.3138000      0.5891000
  1 1 1      -3   13   11 o    7.414000      0.2505000       7.739000 0.3486000       7.089000      0.3598000      0.6506000      0.5010000
  1 1 1      -3   13   12 o    12.39000      0.2488000       12.91000 0.4106000       11.86000      0.2812000       1.050000      0.4976000
  1 1 1      -3   13   13 o    8.921000      0.1903000       9.054000 0.2741000       8.789000      0.2642000      0.2654000      0.3807000
  1 1 1      -3   13   14 o    6.061000      0.2125000       6.033000 0.3070000       6.088000      0.2939000     -0.5450000E-01  0.4250000
  1 1 1      -3   13   15 o    7.285000      0.3031000       7.453000 0.4576000       7.118000      0.3976000      0.3341000      0.6062000
  1 1 1      -3   13   16 o    8.234000      0.3049000       8.290000 0.4582000       8.178000      0.4025000      0.1119000      0.6099000
  1 1 1      -3   13   17 o    5.166000      0.2589000       5.185000 0.3643000       5.148000      0.3678000      0.3681000E-01  0.5177000
  1 1 1      -3   13   18 o    7.780000      0.2234000       8.004000 0.3110000       7.556000      0.3208000      0.4486000      0.4468000
  1 1 1      -3   13   19 o    6.326000      0.2350000       6.653000 0.3483000       6.000000      0.3156000      0.6530000      0.4700000
  1 1 1      -3   13   20 o    5.798000      0.2729000       5.554000 0.3969000       6.041000      0.3748000     -0.4866000      0.5459000
  1 1 1      -3   13   21 o    10.14000      0.2493000       9.590000 0.3797000       10.70000      0.3231000      -1.108000      0.4986000
  1 1 1      -3   13   22 o    8.641000      0.2423000       8.955000 0.3446000       8.327000      0.3405000      0.6272000      0.4845000
  1 1 1      -3   13   23 o    7.460000      0.2613000       7.579000 0.3700000       7.340000      0.3691000      0.2394000      0.5226000
  1 1 1      -3   13   24 o    7.741000      0.2595000       8.077000 0.3613000       7.404000      0.3725000      0.6736000      0.5190000
  1 1 1      -3   13   25 o    4.630000      0.3734000       4.442000 0.5234000       4.818000      0.5327000     -0.3764000      0.7468000
  1 1 1      -3   13   26 o    4.776000      0.3868000       4.937000 0.5211000       4.615000      0.5719000      0.3220000      0.7737000
  1 1 1      -3   13   27 f    5.978000      0.3380000       6.247000 0.4482000       5.709000      0.5060000      0.5380000      0.6760000
  1 1 1      -3   13   28 o    2.412000      0.5718000       1.716000 0.7565000       3.108000      0.8578000      -1.392000       1.144000
  1 1 1      -3   13   29 o    2.450000      0.6125000       2.725000 0.8544000       2.175000      0.8778000      0.5502000       1.225000
  1 1 1      -3   13   30 o    2.800000      0.6337000       2.395000 0.8623000       3.205000      0.9289000     -0.8096000       1.267000
  1 1 1      -3   13   31 o    2.214000      0.5526000       1.460000 0.6729000       2.968000      0.8767000      -1.508000       1.105000
  1 1 1      -3   13   32 o    2.331000      0.6733000       2.489000 0.9289000       2.173000      0.9749000      0.3158000       1.347000
  1 1 1      -3   13   33 o    2.120000      0.5812000       2.538000 0.8644000       1.702000      0.7772000      0.8367000       1.162000
  1 1 1      -3   13   34 o    1.741000      0.5465000       1.625000 0.7451000       1.857000      0.7996000     -0.2319000       1.093000
  1 1 1      -3   14    1 o    8.377000      0.2480000       8.196000 0.3501000       8.558000      0.3514000     -0.3622000      0.4960000
  1 1 1      -3   14    2 o    5.324000      0.2662000       5.302000 0.3910000       5.345000      0.3614000     -0.4285000E-01  0.5324000
  1 1 1      -3   14    3 o    7.350000      0.2105000       7.622000 0.3136000       7.079000      0.2810000      0.5431000      0.4211000
  1 1 1      -3   14    4 o    16.66000      0.2540000       16.89000 0.3704000       16.42000      0.3476000      0.4722000      0.5080000
  1 1 1      -3   14    5 f    8.732000      0.1916000       8.463000 0.2831000       9.002000      0.2583000     -0.5389000      0.3832000
  1 1 1      -3   14    6 o    3.711000      0.2759000       3.643000 0.4205000       3.780000      0.3574000     -0.1374000      0.5519000
  1 1 1      -3   14    7 o    2.762000      0.5533000       2.832000 0.8060000       2.691000      0.7584000      0.1408000       1.107000
  1 1 1      -3   14    8 o    3.862000      0.3687000       3.922000 0.5186000       3.802000      0.5243000      0.1198000      0.7374000
  1 1 1      -3   14    9 o    8.328000      0.2579000       8.493000 0.3635000       8.162000      0.3660000      0.3303000      0.5158000
  1 1 1      -3   14   10 o    4.174000      0.2549000       3.780000 0.3935000       4.568000      0.3241000     -0.7886000      0.5098000
  1 1 1      -3   14   11 o    3.725000      0.2721000       3.845000 0.3755000       3.605000      0.3938000      0.2397000      0.5441000
  1 1 1      -3   14   12 o    2.391000      0.4452000       1.972000 0.7712000       2.811000      0.4451000     -0.8390000      0.8904000
  1 1 1      -3   14   13 o    3.934000      0.4266000       4.254000 0.6030000       3.613000      0.6037000      0.6409000      0.8533000
  1 1 1      -3   14   14 o    3.472000      0.4915000       3.384000 0.7445000       3.559000      0.6418000     -0.1758000      0.9829000
  1 1 1      -3   14   15 o    2.298000      0.4563000       2.040000 0.6630000       2.557000      0.6269000     -0.5167000      0.9125000
  1 1 1      -3   14   16 o    4.882000      0.2668000       4.325000 0.4019000       5.439000      0.3510000      -1.114000      0.5336000
  1 1 1      -3   14   17 o    4.445000      0.2889000       4.395000 0.4191000       4.495000      0.3978000     -0.1002000      0.5778000
  1 1 1      -3   14   18 o    9.068000      0.2195000       8.991000 0.3159000       9.144000      0.3049000     -0.1529000      0.4391000
  1 1 1      -3   14   19 o    15.01000      0.2508000       15.11000 0.3583000       14.91000      0.3509000      0.2020000      0.5015000
  1 1 1      -3   14   20 o    12.26000      0.2372000       12.41000 0.3399000       12.12000      0.3310000      0.2911000      0.4745000
  1 1 1      -3   14   21 o    3.862000      0.3995000       3.587000 0.6095000       4.136000      0.5165000     -0.5495000      0.7990000
  1 1 1      -3   14   22 o    2.905000      0.5059000       3.091000 0.7088000       2.718000      0.7220000      0.3728000       1.012000
  1 1 1      -3   14   23 o    12.33000      0.2505000       12.65000 0.3577000       12.01000      0.3507000      0.6406000      0.5010000
  1 1 1      -3   14   24 o    1.794000      0.4960000       1.295000 0.6141000       2.293000      0.7790000     -0.9976000      0.9920000
  1 1 1      -3   14   25 o    5.104000      0.3435000       5.121000 0.4877000       5.088000      0.4839000      0.3223000E-01  0.6870000
  1 1 1      -3   14   26 o    6.996000      0.2896000       7.205000 0.4047000       6.788000      0.4145000      0.4175000      0.5793000
  1 1 1      -3   14   27 o    2.394000      0.5961000       2.597000 0.8576000       2.190000      0.8282000      0.4072000       1.192000
  1 1 1      -3   14   28 o    3.260000      0.5935000       3.094000 0.8601000       3.426000      0.8181000     -0.3328000       1.187000
  1 1 1      -3   14   29 f    1.683000      0.5368000       1.486000 0.6938000       1.879000      0.8195000     -0.3930000       1.074000
  1 1 1      -3   14   30 o    2.970000      0.7027000       2.582000 0.8888000       3.358000       1.089000     -0.7761000       1.405000
  1 1 1      -3   14   31 o    3.563000      0.6691000       2.322000 0.9312000       4.804000      0.9611000      -2.481000       1.338000
  1 1 1      -3   14   32 o    4.903000      0.4473000       4.515000 0.6439000       5.290000      0.6211000     -0.7755000      0.8946000
  1 1 1      -3   14   33 o    2.337000      0.6937000       2.284000 0.9887000       2.390000      0.9732000     -0.1061000       1.387000
  1 1 1      -3   14   34 o    2.489000      0.6956000       3.047000 1.070000       1.931000      0.8891000       1.116000       1.391000
  1 1 1      -3   15    1 o    2.655000      0.4881000       3.266000 0.6289000       2.044000      0.7466000       1.221000      0.9762000
  1 1 1      -3   15    2 o    3.939000      0.3859000       3.584000 0.5819000       4.294000      0.5069000     -0.7096000      0.7717000
  1 1 1      -3   15    3 o    6.528000      0.6347000       5.855000 1.126000       7.202000      0.5855000      -1.347000       1.269000
  1 1 1      -3   15    4 o    13.33000      0.3985000       13.83000 0.6283000       12.83000      0.4903000       1.003000      0.7970000
  1 1 1      -3   15    5 o    2.618000      0.6047000       2.128000 0.9014000       3.108000      0.8064000     -0.9804000       1.209000
  1 1 1      -3   15    6 o    3.012000      0.4883000       2.450000 0.9163000       3.575000      0.3379000      -1.126000      0.9767000
  1 1 1      -3   15    7 o    4.990000      0.2267000       5.058000 0.3429000       4.922000      0.2965000      0.1363000      0.4533000
  1 1 1      -3   15    8 o    3.768000      0.2891000       3.436000 0.4642000       4.100000      0.3448000     -0.6635000      0.5782000
  1 1 1      -3   15    9 o    6.270000      0.1932000       6.246000 0.2822000       6.295000      0.2639000     -0.4872000E-01  0.3864000
  1 1 1      -3   15   10 o    7.129000      0.2727000       6.990000 0.4124000       7.267000      0.3570000     -0.2772000      0.5455000
  1 1 1      -3   15   11 o    5.885000      0.2921000       5.994000 0.4437000       5.776000      0.3801000      0.2173000      0.5843000
  1 1 1      -3   15   12 o    2.251000      0.4591000       2.460000 0.6646000       2.042000      0.6336000      0.4182000      0.9182000
  1 1 1      -3   15   13 o    3.381000      0.3339000       3.782000 0.4387000       2.981000      0.5036000      0.8011000      0.6679000
  1 1 1      -3   15   14 o    9.269000      0.2018000       9.350000 0.2907000       9.188000      0.2801000      0.1617000      0.4037000
  1 1 1      -3   15   15 o    7.431000      0.2142000       7.678000 0.3088000       7.183000      0.2970000      0.4950000      0.4284000
  1 1 1      -3   15   16 f    7.041000      0.2218000       7.212000 0.3169000       6.871000      0.3103000      0.3403000      0.4435000
  1 1 1      -3   15   17 o    8.674000      0.2144000       8.652000 0.3073000       8.696000      0.2991000     -0.4462000E-01  0.4288000
  1 1 1      -3   15   18 f    8.515000      0.2252000       8.547000 0.3188000       8.483000      0.3181000      0.6414000E-01  0.4504000
  1 1 1      -3   15   19 o    15.88000      0.2603000       15.73000 0.3686000       16.02000      0.3676000     -0.2858000      0.5206000
  1 1 1      -3   15   20 f    8.267000      0.2732000       8.547000 0.4249000       7.987000      0.3435000      0.5603000      0.5464000
  1 1 1      -3   15   21 o    9.287000      0.2341000       9.461000 0.3330000       9.112000      0.3290000      0.3491000      0.4681000
  1 1 1      -3   15   22 o    2.893000      0.5089000       2.504000 0.7717000       3.282000      0.6637000     -0.7786000       1.018000
  1 1 1      -3   15   23 o    5.822000      0.3081000       5.789000 0.4400000       5.855000      0.4314000     -0.6613000E-01  0.6163000
  1 1 1      -3   15   24 o    6.850000      0.2831000       7.262000 0.3903000       6.439000      0.4102000      0.8235000      0.5662000
  1 1 1      -3   15   25 o    6.333000      0.3045000       6.277000 0.4337000       6.390000      0.4276000     -0.1127000      0.6091000
  1 1 1      -3   15   26 o    2.495000      0.5853000       2.230000 0.8229000       2.760000      0.8327000     -0.5299000       1.171000
  1 1 1      -3   15   27 o    2.287000      0.5492000       3.072000 0.8434000       1.502000      0.7038000       1.569000       1.098000
  1 1 1      -3   15   28 o    2.334000      0.6413000       1.720000 0.7525000       2.949000       1.039000      -1.229000       1.283000
  1 1 1      -3   15   29 o    4.494000      0.5896000       4.704000 0.6737000       4.284000      0.9679000      0.4198000       1.179000
  1 1 1      -3   15   30 o    2.545000      0.6287000       2.302000 0.8544000       2.789000      0.9226000     -0.4870000       1.257000
  1 1 1      -3   15   31 o    3.920000      0.5517000       4.090000 0.7408000       3.750000      0.8176000      0.3401000       1.103000
  1 1 1      -3   15   32 o    3.555000      0.7479000       4.202000 1.038000       2.908000       1.077000       1.294000       1.496000
  1 1 1      -3   15   33 o    2.154000      0.6098000       2.117000 0.8518000       2.191000      0.8728000     -0.7377000E-01   1.220000
  1 1 1      -3   16    1 o    7.661000       1.029000       5.597000 1.892000       9.725000      0.8083000      -4.128000       2.057000
  1 1 1      -3   16    2 o    5.394000      0.3277000       5.843000 0.4000000       4.945000      0.5193000      0.8981000      0.6555000
  1 1 1      -3   16    3 o    1.608000      0.4664000       1.755000 0.6915000       1.461000      0.6261000      0.2939000      0.9328000
  1 1 1      -3   16    4 o    1.869000      0.4647000       1.663000 0.6550000       2.074000      0.6593000     -0.4111000      0.9293000
  1 1 1      -3   16    5 o    7.423000      0.2310000       7.032000 0.3467000       7.815000      0.3052000     -0.7829000      0.4619000
  1 1 1      -3   16    6 o    2.444000      0.4655000       3.001000 0.6347000       1.887000      0.6812000       1.114000      0.9311000
  1 1 1      -3   16    7 o    7.182000      0.2542000       6.741000 0.3773000       7.624000      0.3409000     -0.8831000      0.5085000
  1 1 1      -3   16    8 o    6.859000      0.2597000       6.644000 0.3854000       7.074000      0.3483000     -0.4299000      0.5194000
  1 1 1      -3   16    9 o    3.816000      0.3418000       3.546000 0.5412000       4.086000      0.4175000     -0.5402000      0.6835000
  1 1 1      -3   16   10 o    1.662000      0.4475000       1.849000 0.6654000       1.476000      0.5986000      0.3730000      0.8950000
  1 1 1      -3   16   11 o    2.800000      0.3787000       2.710000 0.5743000       2.890000      0.4936000     -0.1793000      0.7573000
  1 1 1      -3   16   12 o    5.587000      0.2317000       5.464000 0.3460000       5.711000      0.3082000     -0.2462000      0.4634000
  1 1 1      -3   16   13 o    6.205000      0.2273000       6.268000 0.3379000       6.142000      0.3041000      0.1260000      0.4546000
  1 1 1      -3   16   14 o    13.42000      0.2285000       13.32000 0.3265000       13.52000      0.3196000     -0.2003000      0.4569000
  1 1 1      -3   16   15 o    6.031000      0.2347000       6.018000 0.3455000       6.045000      0.3178000     -0.2656000E-01  0.4694000
  1 1 1      -3   16   16 o    5.382000      0.2538000       5.658000 0.3593000       5.106000      0.3585000      0.5517000      0.5076000
  1 1 1      -3   16   17 o    4.556000      0.2955000       4.745000 0.4054000       4.367000      0.4302000      0.3784000      0.5911000
  1 1 1      -3   16   18 f    10.78000      0.2271000       10.40000 0.3252000       11.17000      0.3172000     -0.7770000      0.4543000
  1 1 1      -3   16   19 o    13.00000      0.2425000       12.81000 0.3446000       13.20000      0.3413000     -0.3965000      0.4851000
  1 1 1      -3   16   20 o    4.290000      0.4895000       4.290000 0.4895000                  ?              ?              ?              ?
  1 1 1      -3   16   21 f    3.154000      0.4808000       3.314000 0.6401000       2.994000      0.7177000      0.3198000      0.9617000
  1 1 1      -3   16   22 o    7.870000      0.3641000                  ?       ?   7.870000      0.3641000                  ?              ?
  1 1 1      -3   16   23 o    5.084000      0.3345000       5.104000 0.4756000       5.064000      0.4705000      0.3971000E-01  0.6690000
  1 1 1      -3   16   24 o    6.001000      0.3145000       5.520000 0.4772000       6.482000      0.4097000     -0.9628000      0.6289000
  1 1 1      -3   16   25 o    6.095000      0.3272000       6.351000 0.4506000       5.840000      0.4746000      0.5118000      0.6544000
  1 1 1      -3   16   26 o    6.715000      0.3233000       6.304000 0.4683000       7.126000      0.4458000     -0.8219000      0.6466000
  1 1 1      -3   16   27 o    2.313000      0.6545000       2.440000 0.9164000       2.187000      0.9347000      0.2538000       1.309000
  1 1 1      -3   16   28 o    1.898000      0.5728000       1.792000 0.7874000       2.004000      0.8322000     -0.2120000       1.146000
  1 1 1      -3   16   29 o    5.820000      0.3961000       5.553000 0.5780000       6.087000      0.5417000     -0.5336000      0.7922000
  1 1 1      -3   16   30 o    2.323000      0.6873000       1.862000 0.8915000       2.783000       1.046000     -0.9210000       1.375000
  1 1 1      -3   16   31 o    2.343000      0.7096000       2.325000 0.9966000       2.360000       1.010000     -0.3472000E-01   1.419000
  1 1 1      -3   16   32 o    3.124000      0.6408000       3.066000 0.8816000       3.181000      0.9302000     -0.1154000       1.282000
  1 1 1      -3   17    1 o    6.641000      0.2952000       7.062000 0.3935000       6.219000      0.4400000      0.8434000      0.5903000
  1 1 1      -3   17    2 f    5.663000      0.3272000       5.391000 0.4689000       5.935000      0.4566000     -0.5440000      0.6545000
  1 1 1      -3   17    3 o    4.717000      0.3459000       3.947000 0.5327000       5.488000      0.4413000      -1.541000      0.6918000
  1 1 1      -3   17    4 o    1.231000      0.3969000       1.022000 0.4977000       1.440000      0.6185000     -0.4180000      0.7939000
  1 1 1      -3   17    5 o    9.227000      0.2383000       9.594000 0.3531000       8.860000      0.3202000      0.7331000      0.4767000
  1 1 1      -3   17    6 o    10.38000      0.2298000       10.31000 0.3363000       10.45000      0.3132000     -0.1389000      0.4596000
  1 1 1      -3   17    7 o    6.527000      0.2211000       6.459000 0.3280000       6.595000      0.2966000     -0.1357000      0.4423000
  1 1 1      -3   17    8 o    6.253000      0.2338000       5.934000 0.3677000       6.573000      0.2890000     -0.6390000      0.4677000
  1 1 1      -3   17    9 o    3.014000      0.3801000       3.128000 0.5616000       2.900000      0.5123000      0.2276000      0.7602000
  1 1 1      -3   17   10 o    2.274000      0.4737000       2.278000 0.6853000       2.270000      0.6540000      0.8164000E-02  0.9473000
  1 1 1      -3   17   11 o    2.076000      0.4714000       2.280000 0.6790000       1.872000      0.6540000      0.4083000      0.9427000
  1 1 1      -3   17   12 o    5.131000      0.2473000       5.273000 0.3596000       4.990000      0.3398000      0.2830000      0.4947000
  1 1 1      -3   17   13 o    3.552000      0.3446000       3.601000 0.5105000       3.503000      0.4630000      0.9774000E-01  0.6892000
  1 1 1      -3   17   14 o    14.25000      0.2376000       14.41000 0.3427000       14.09000      0.3292000      0.3123000      0.4752000
  1 1 1      -3   17   15 o    10.57000      0.2169000       10.81000 0.3160000       10.33000      0.2972000      0.4871000      0.4338000
  1 1 1      -3   17   16 o    3.009000      0.4351000       2.764000 0.6706000       3.253000      0.5545000     -0.4890000      0.8702000
  1 1 1      -3   17   17 o    2.782000      0.4456000       3.370000 0.5526000       2.194000      0.6992000       1.176000      0.8912000
  1 1 1      -3   17   18 o    5.380000      0.2734000       5.195000 0.4009000       5.565000      0.3717000     -0.3702000      0.5467000
  1 1 1      -3   17   19 o    1.795000      0.4964000       1.884000 0.7118000       1.705000      0.6919000      0.1791000      0.9927000
  1 1 1      -3   17   20 o    2.911000      0.6991000       2.911000 0.6991000                  ?              ?              ?              ?
  1 1 1      -3   17   21 o    3.455000      0.4737000       3.433000 0.6800000       3.477000      0.6597000     -0.4415000E-01  0.9474000
  1 1 1      -3   17   22 o    4.526000      0.5285000                  ?       ?   4.526000      0.5285000                  ?              ?
  1 1 1      -3   17   23 o    3.077000      0.5231000       3.686000 0.6552000       2.468000      0.8155000       1.217000       1.046000
  1 1 1      -3   17   24 o    6.765000      0.3077000       7.059000 0.4296000       6.471000      0.4407000      0.5882000      0.6154000
  1 1 1      -3   17   25 o    6.241000      0.4001000       5.817000 0.5385000       6.664000      0.5920000     -0.8468000      0.8003000
  1 1 1      -3   17   26 o    2.093000      0.5978000       2.225000 0.8784000       1.960000      0.8111000      0.2651000       1.196000
  1 1 1      -3   17   27 o    2.779000      0.6180000       2.943000 0.8630000       2.615000      0.8849000      0.3285000       1.236000
  1 1 1      -3   17   28 o    2.982000      0.7286000       3.905000 1.224000       2.059000      0.7911000       1.846000       1.457000
  1 1 1      -3   17   29 o    4.038000      0.7473000       3.741000 1.177000       4.335000      0.9211000     -0.5939000       1.495000
  1 1 1      -3   17   30 o    2.769000      0.6378000       2.513000 0.9063000       3.026000      0.8976000     -0.5132000       1.276000
  1 1 1      -3   17   31 o    2.945000      0.6123000       2.273000 0.8932000       3.616000      0.8377000      -1.342000       1.225000
  1 1 1      -3   17   32 o    2.397000      0.6330000       2.339000 0.8897000       2.456000      0.9007000     -0.1176000       1.266000
  1 1 1      -3   18    1 o    5.742000      0.3817000       6.174000 0.4829000       5.309000      0.5912000      0.8653000      0.7633000
  1 1 1      -3   18    2 o    7.848000      0.3057000       7.484000 0.4428000       8.212000      0.4216000     -0.7279000      0.6114000
  1 1 1      -3   18    3 o    5.761000      0.3388000       5.872000 0.4712000       5.649000      0.4869000      0.2226000      0.6775000
  1 1 1      -3   18    4 o    5.541000      0.3031000       5.201000 0.4614000       5.881000      0.3931000     -0.6798000      0.6061000
  1 1 1      -3   18    5 o    6.339000      0.2652000       6.511000 0.3862000       6.168000      0.3635000      0.3435000      0.5303000
  1 1 1      -3   18    6 o    5.140000      0.3111000       5.177000 0.4595000       5.103000      0.4196000      0.7443000E-01  0.6222000
  1 1 1      -3   18    7 o    1.807000      0.4832000       2.064000 0.7344000       1.550000      0.6280000      0.5136000      0.9663000
  1 1 1      -3   18    8 o    3.525000      0.3847000       4.115000 0.5005000       2.935000      0.5844000       1.180000      0.7695000
  1 1 1      -3   18    9 o    2.351000      0.4865000       2.186000 0.7353000       2.516000      0.6372000     -0.3298000      0.9729000
  1 1 1      -3   18   10 o    2.634000      0.4622000       2.226000 0.7537000       3.042000      0.5351000     -0.8158000      0.9243000
  1 1 1      -3   18   11 o    6.987000      0.2317000       6.961000 0.3446000       7.012000      0.3098000     -0.5164000E-01  0.4634000
  1 1 1      -3   18   12 o    3.476000      0.3872000       2.862000 0.6456000       4.091000      0.4276000      -1.228000      0.7743000
  1 1 1      -3   18   13 o    8.861000      0.2105000       8.923000 0.3062000       8.798000      0.2889000      0.1251000      0.4210000
  1 1 1      -3   18   14 o    6.793000      0.2374000       6.816000 0.3431000       6.769000      0.3283000      0.4699000E-01  0.4749000
  1 1 1      -3   18   15 o    1.713000      0.4812000       1.754000 0.7022000       1.673000      0.6580000      0.8027000E-01  0.9623000
  1 1 1      -3   18   16 o    2.117000      0.5204000       2.077000 0.7527000       2.157000      0.7187000     -0.7951000E-01   1.041000
  1 1 1      -3   18   17 o    2.114000      0.5111000       2.357000 0.7450000       1.870000      0.6999000      0.4865000       1.022000
  1 1 1      -3   18   18 f    5.948000      0.2768000       6.372000 0.3766000       5.525000      0.4057000      0.8473000      0.5535000
  1 1 1      -3   18   19 o    3.057000      0.4738000       3.644000 0.6029000       2.470000      0.7310000       1.174000      0.9475000
  1 1 1      -3   18   20 o    5.982000      0.2830000       5.874000 0.4217000       6.091000      0.3775000     -0.2165000      0.5660000
  1 1 1      -3   18   21 o    2.034000      0.5104000       2.661000 0.7858000       1.408000      0.6516000       1.253000       1.021000
  1 1 1      -3   18   22 o    5.841000      0.3120000       5.541000 0.4709000       6.141000      0.4094000     -0.6003000      0.6240000
  1 1 1      -3   18   23 o    2.342000      0.6008000       3.047000 0.9234000       1.637000      0.7689000       1.409000       1.202000
  1 1 1      -3   18   24 o    2.665000      0.5984000       2.966000 0.8652000       2.364000      0.8269000      0.6021000       1.197000
  1 1 1      -3   18   25 o    2.366000      0.6125000       2.259000 0.8484000       2.472000      0.8837000     -0.2135000       1.225000
  1 1 1      -3   18   26 o    5.662000      0.6123000       5.400000 1.113000       5.923000      0.5107000     -0.5232000       1.225000
  1 1 1      -3   18   27 o    2.830000      0.7740000       2.521000 1.100000       3.139000       1.089000     -0.6182000       1.548000
  1 1 1      -3   18   28 o    2.183000      0.5955000       1.651000 0.7649000       2.714000      0.9129000      -1.062000       1.191000
  1 1 1      -3   18   29 o    5.117000      0.4578000       5.329000 0.6225000       4.904000      0.6715000      0.4248000      0.9156000
  1 1 1      -3   18   30 o    6.961000      0.3638000       6.970000 0.5159000       6.953000      0.5131000      0.1701000E-01  0.7276000
  1 1 1      -3   18   31 o    4.875000      0.4932000       4.925000 0.6741000       4.825000      0.7200000      0.9952000E-01  0.9863000
  1 1 1      -3   19    1 f    2.542000      0.5997000       2.669000 0.8368000       2.414000      0.8593000      0.2545000       1.199000
  1 1 1      -3   19    2 f    2.965000      0.5025000       1.896000 0.7771000       4.034000      0.6374000      -2.137000       1.005000
  1 1 1      -3   19    3 o    2.573000      0.5908000       2.656000 0.8342000       2.491000      0.8368000      0.1654000       1.182000
  1 1 1      -3   19    4 o    2.019000      0.5171000       1.638000 0.7077000       2.400000      0.7542000     -0.7625000       1.034000
  1 1 1      -3   19    5 o    2.054000      0.5342000       1.905000 0.7603000       2.203000      0.7506000     -0.2981000       1.068000
  1 1 1      -3   19    6 o    1.673000      0.4919000       1.786000 0.7292000       1.560000      0.6604000      0.2259000      0.9838000
  1 1 1      -3   19    7 o    3.204000      0.4704000       3.149000 0.7358000       3.259000      0.5864000     -0.1107000      0.9409000
  1 1 1      -3   19    8 f    3.161000      0.4720000       2.720000 0.7723000       3.601000      0.5429000     -0.8812000      0.9440000
  1 1 1      -3   19    9 f    3.813000      0.3549000       3.668000 0.5631000       3.959000      0.4322000     -0.2909000      0.7099000
  1 1 1      -3   19   10 o    2.335000      0.4837000       2.070000 0.7377000       2.600000      0.6258000     -0.5302000      0.9673000
  1 1 1      -3   19   11 o    8.589000      0.2354000       8.221000 0.3570000       8.957000      0.3071000     -0.7356000      0.4709000
  1 1 1      -3   19   12 o    1.716000      0.4924000       2.039000 0.7697000       1.393000      0.6143000      0.6461000      0.9847000
  1 1 1      -3   19   13 o    4.501000      0.3271000       4.434000 0.4898000       4.568000      0.4338000     -0.1342000      0.6542000
  1 1 1      -3   19   14 o    5.710000      0.2673000       5.709000 0.3975000       5.711000      0.3575000     -0.2941000E-02  0.5346000
  1 1 1      -3   19   15 o    1.955000      0.5141000       2.255000 0.7648000       1.654000      0.6872000      0.6009000       1.028000
  1 1 1      -3   19   16 o    4.440000      0.3431000       4.363000 0.5211000       4.517000      0.4463000     -0.1533000      0.6861000
  1 1 1      -3   19   17 o    5.123000      0.3144000       4.810000 0.4858000       5.437000      0.3992000     -0.6270000      0.6287000
  1 1 1      -3   19   18 o    4.378000      0.3849000       3.886000 0.6129000       4.871000      0.4656000     -0.9856000      0.7697000
  1 1 1      -3   19   19 o    1.422000      0.4556000       1.583000 0.6856000       1.261000      0.6002000      0.3219000      0.9112000
  1 1 1      -3   19   20 o    2.038000      0.5695000       1.966000 0.7546000       2.111000      0.8531000     -0.1457000       1.139000
  1 1 1      -3   19   21 o    1.827000      0.5591000       1.879000 0.7882000       1.775000      0.7931000      0.1042000       1.118000
  1 1 1      -3   19   22 o    3.097000      0.5666000       2.786000 0.8254000       3.409000      0.7765000     -0.6234000       1.133000
  1 1 1      -3   19   23 o    1.422000      0.4754000       1.359000 0.6496000       1.485000      0.6942000     -0.1261000      0.9507000
  1 1 1      -3   19   24 o    3.617000      0.7316000       4.367000 1.234000       2.867000      0.7866000       1.500000       1.463000
  1 1 1      -3   19   25 o    2.777000      0.7682000       2.730000 1.149000       2.823000       1.020000     -0.9282000E-01   1.536000
  1 1 1      -3   19   26 o    4.660000      0.4905000       4.172000 0.7895000       5.148000      0.5823000     -0.9755000      0.9810000
  1 1 1      -3   19   27 o    1.711000      0.5493000       1.570000 0.7431000       1.852000      0.8091000     -0.2822000       1.099000
  1 1 1      -3   19   28 o    2.535000      0.6409000       2.946000 0.9463000       2.124000      0.8647000      0.8218000       1.282000
  1 1 1      -3   19   29 f    2.472000      0.6345000       2.980000 0.9462000       1.964000      0.8456000       1.015000       1.269000
  1 1 1      -3   19   30 o    4.356000      0.5380000       4.499000 0.7202000       4.213000      0.7995000      0.2857000       1.076000
  1 1 1      -3   20    1 o    3.988000      0.5211000       3.867000 0.7601000       4.109000      0.7130000     -0.2424000       1.042000
  1 1 1      -3   20    2 o    6.009000      0.3732000       6.560000 0.4770000       5.458000      0.5741000       1.102000      0.7464000
  1 1 1      -3   20    3 o    4.080000      0.5283000       3.574000 0.8452000       4.587000      0.6342000      -1.013000       1.057000
  1 1 1      -3   20    4 o    3.421000      0.4886000       3.579000 0.6940000       3.264000      0.6881000      0.3141000      0.9773000
  1 1 1      -3   20    5 o    7.115000      0.2742000       7.394000 0.4022000       6.836000      0.3729000      0.5573000      0.5484000
  1 1 1      -3   20    6 o    3.157000      0.5096000       2.437000 0.8292000       3.878000      0.5924000      -1.442000       1.019000
  1 1 1      -3   20    7 o    5.340000      0.3243000       5.738000 0.4654000       4.942000      0.4516000      0.7966000      0.6485000
  1 1 1      -3   20    8 o    7.718000      0.2686000       7.666000 0.4033000       7.770000      0.3549000     -0.1043000      0.5372000
  1 1 1      -3   20    9 o    3.860000      0.3973000       4.117000 0.5904000       3.602000      0.5317000      0.5147000      0.7945000
  1 1 1      -3   20   10 o    2.900000      0.4970000       3.640000 0.6571000       2.161000      0.7458000       1.480000      0.9940000
  1 1 1      -3   20   11 o    5.838000      0.3036000       5.755000 0.4758000       5.920000      0.3774000     -0.1657000      0.6073000
  1 1 1      -3   20   12 o    13.52000      0.2496000       13.78000 0.3658000       13.26000      0.3396000      0.5159000      0.4992000
  1 1 1      -3   20   13 o    9.149000      0.2441000       9.133000 0.3682000       9.164000      0.3205000     -0.3103000E-01  0.4882000
  1 1 1      -3   20   14 o    2.118000      0.5314000       2.515000 0.7923000       1.720000      0.7083000      0.7953000       1.063000
  1 1 1      -3   20   15 f    6.421000      0.2694000       6.229000 0.4084000       6.612000      0.3516000     -0.3828000      0.5389000
  1 1 1      -3   20   16 o    1.648000      0.4874000       1.452000 0.6627000       1.845000      0.7148000     -0.3923000      0.9747000
  1 1 1      -3   20   17 o    3.429000      0.4833000       3.280000 0.7338000       3.579000      0.6293000     -0.2991000      0.9666000
  1 1 1      -3   20   18 o    4.389000      0.4984000       5.146000 0.5863000       3.631000      0.8061000       1.515000      0.9968000
  1 1 1      -3   20   19 o    3.757000      0.5992000       4.224000 0.7741000       3.289000      0.9150000      0.9352000       1.198000
  1 1 1      -3   20   20 o    2.271000      0.5534000       1.837000 0.7677000       2.706000      0.7973000     -0.8693000       1.107000
  1 1 1      -3   20   21 o    3.128000      0.5703000       2.772000 0.8149000       3.484000      0.7981000     -0.7124000       1.141000
  1 1 1      -3   20   22 o    8.270000      0.4838000       7.985000 0.7743000       8.555000      0.5804000     -0.5703000      0.9676000
  1 1 1      -3   20   23 o    2.917000      0.7929000       2.926000 1.201000       2.907000       1.035000      0.1828000E-01   1.586000
  1 1 1      -3   20   24 o    1.767000      0.5501000       1.664000 0.7576000       1.870000      0.7976000     -0.2066000       1.100000
  1 1 1      -3   20   25 o    5.421000      0.4182000       5.286000 0.6069000       5.555000      0.5754000     -0.2688000      0.8363000
  1 1 1      -3   20   26 o    5.722000      0.4091000       5.503000 0.6125000       5.940000      0.5426000     -0.4371000      0.8182000
  1 1 1      -3   20   27 o    5.047000      0.4718000       4.966000 0.7411000       5.129000      0.5840000     -0.1626000      0.9436000
  1 1 1      -3   20   28 o    2.838000      0.6289000       3.629000 0.9338000       2.047000      0.8426000       1.582000       1.258000
  1 1 1      -3   20   29 o    2.400000      0.6337000       1.958000 0.8574000       2.841000      0.9333000     -0.8833000       1.267000
  1 1 1      -3   21    1 o    4.515000      0.5174000       4.759000 0.6940000       4.271000      0.7675000      0.4885000       1.035000
  1 1 1      -3   21    2 o    7.047000      0.3705000       7.445000 0.5026000       6.649000      0.5445000      0.7954000      0.7410000
  1 1 1      -3   21    3 o    4.359000      0.4981000       4.217000 0.7377000       4.501000      0.6694000     -0.2838000      0.9962000
  1 1 1      -3   21    4 o    3.413000      0.5651000       3.895000 0.7588000       2.931000      0.8377000      0.9643000       1.130000
  1 1 1      -3   21    5 o    4.358000      0.4130000       4.407000 0.6194000       4.309000      0.5464000      0.9841000E-01  0.8259000
  1 1 1      -3   21    6 o    3.310000      0.5294000       2.815000 0.8474000       3.805000      0.6350000     -0.9904000       1.059000
  1 1 1      -3   21    7 o    6.275000      0.3113000       6.268000 0.4726000       6.283000      0.4052000     -0.1484000E-01  0.6225000
  1 1 1      -3   21    8 o    10.88000      0.2703000       11.12000 0.4057000       10.65000      0.3573000      0.4653000      0.5406000
  1 1 1      -3   21    9 o    3.265000      0.5128000       3.011000 0.8219000       3.520000      0.6135000     -0.5083000       1.026000
  1 1 1      -3   21   10 o    9.118000      0.2662000       9.217000 0.4028000       9.018000      0.3483000      0.1991000      0.5325000
  1 1 1      -3   21   11 f    4.941000      0.3583000       4.552000 0.5881000       5.330000      0.4093000     -0.7784000      0.7166000
  1 1 1      -3   21   12 o    5.393000      0.3483000       5.546000 0.5198000       5.241000      0.4637000      0.3052000      0.6966000
  1 1 1      -3   21   13 o    1.667000      0.4943000       1.376000 0.6558000       1.958000      0.7397000     -0.5818000      0.9886000
  1 1 1      -3   21   14 o    3.766000      0.4622000       3.553000 0.7259000       3.980000      0.5722000     -0.4273000      0.9243000
  1 1 1      -3   21   15 o    2.695000      0.6643000       3.200000 0.9933000       2.190000      0.8822000       1.011000       1.329000
  1 1 1      -3   21   16 o    2.056000      0.6124000       2.221000 0.9011000       1.890000      0.8296000      0.3307000       1.225000
  1 1 1      -3   21   17 o    7.136000      0.2781000       7.064000 0.4131000       7.208000      0.3723000     -0.1446000      0.5561000
  1 1 1      -3   21   18 o    6.242000      0.3101000       6.447000 0.4640000       6.036000      0.4115000      0.4110000      0.6202000
  1 1 1      -3   21   19 f    5.199000      0.3645000       5.417000 0.5016000       4.982000      0.5291000      0.4353000      0.7290000
  1 1 1      -3   21   20 o    6.450000      0.5874000       5.477000 1.015000       7.422000      0.5913000      -1.946000       1.175000
  1 1 1      -3   21   21 o    5.222000       1.125000       5.222000 1.125000                  ?              ?              ?              ?
  1 1 1      -3   21   22 o    7.829000      0.3164000       7.789000 0.4613000       7.869000      0.4331000     -0.8011000E-01  0.6328000
  1 1 1      -3   21   23 o    7.314000      0.4575000                  ?       ?   7.314000      0.4575000                  ?              ?
  1 1 1      -3   21   24 o    3.930000      0.5491000       3.253000 0.8870000       4.606000      0.6477000      -1.353000       1.098000
  1 1 1      -3   21   25 o    4.958000      0.4664000       5.144000 0.6682000       4.773000      0.6510000      0.3708000      0.9329000
  1 1 1      -3   21   26 o    7.101000      0.3631000       7.584000 0.5065000       6.617000      0.5204000      0.9674000      0.7262000
  1 1 1      -3   21   27 f    2.949000      0.6520000       3.453000 0.9629000       2.444000      0.8792000       1.008000       1.304000
  1 1 1      -3   21   28 o    2.459000      0.6595000       2.372000 0.9547000       2.545000      0.9103000     -0.1728000       1.319000
  1 1 1      -3   22    1 o    5.885000      0.4425000       6.068000 0.5681000       5.701000      0.6787000      0.3669000      0.8851000
  1 1 1      -3   22    2 o    3.061000      0.6826000       2.793000 0.9672000       3.329000      0.9635000     -0.5357000       1.365000
  1 1 1      -3   22    3 o    2.189000      0.6346000       2.049000 0.8617000       2.329000      0.9318000     -0.2802000       1.269000
  1 1 1      -3   22    4 f    6.296000      0.3727000       6.120000 0.5521000       6.472000      0.5007000     -0.3521000      0.7453000
  1 1 1      -3   22    5 o    2.419000      0.5592000       1.798000 0.7954000       3.039000      0.7863000      -1.241000       1.118000
  1 1 1      -3   22    6 o    6.777000      0.3183000       6.830000 0.4632000       6.725000      0.4366000      0.1046000      0.6365000
  1 1 1      -3   22    7 o    9.128000      0.2960000       9.099000 0.4419000       9.158000      0.3941000     -0.5872000E-01  0.5921000
  1 1 1      -3   22    8 o    3.654000      0.5161000       4.154000 0.7122000       3.153000      0.7470000       1.001000       1.032000
  1 1 1      -3   22    9 o    8.412000      0.2977000       8.109000 0.4642000       8.715000      0.3727000     -0.6056000      0.5954000
  1 1 1      -3   22   10 f    6.653000      0.3388000       6.491000 0.5172000       6.815000      0.4377000     -0.3242000      0.6776000
  1 1 1      -3   22   11 o    1.957000      0.5164000       1.715000 0.7673000       2.198000      0.6913000     -0.4828000       1.033000
  1 1 1      -3   22   12 o    4.392000      0.7060000       4.383000 1.056000       4.400000      0.9374000     -0.1623000E-01   1.412000
  1 1 1      -3   22   13 f    3.806000      0.6896000       3.036000 1.092000       4.576000      0.8425000      -1.540000       1.379000
  1 1 1      -3   22   14 o    1.819000      0.5349000       1.760000 0.7603000       1.879000      0.7527000     -0.1191000       1.070000
  1 1 1      -3   22   15 o    3.188000      0.5638000       3.115000 0.8613000       3.261000      0.7277000     -0.1469000       1.128000
  1 1 1      -3   22   16 o    2.893000      0.5873000       2.515000 0.8874000       3.270000      0.7695000     -0.7551000       1.175000
  1 1 1      -3   22   17 o    3.706000      0.6933000       2.855000 1.111000       4.556000      0.8293000      -1.701000       1.387000
  1 1 1      -3   22   18 o    3.265000      0.7213000       3.064000 1.103000       3.467000      0.9299000     -0.4033000       1.443000
  1 1 1      -3   22   19 o    6.226000      0.3372000       6.147000 0.5055000       6.306000      0.4463000     -0.1593000      0.6743000
  1 1 1      -3   22   20 o    2.277000      0.5902000       1.948000 0.8233000       2.605000      0.8459000     -0.6561000       1.180000
  1 1 1      -3   22   21 o    2.343000      0.9082000       2.343000 0.9082000                  ?              ?              ?              ?
  1 1 1      -3   22   22 f    9.143000      0.2988000       9.353000 0.4322000       8.932000      0.4128000      0.4212000      0.5976000
  1 1 1      -3   22   23 o    2.831000      0.9423000                  ?       ?   2.831000      0.9423000                  ?              ?
  1 1 1      -3   22   24 o    1.990000      0.5995000       2.281000 0.9096000       1.700000      0.7811000      0.5813000       1.199000
  1 1 1      -3   22   25 o    6.818000      0.3779000       6.934000 0.5224000       6.702000      0.5462000      0.2321000      0.7558000
  1 1 1      -3   22   26 o    3.526000      0.6226000       2.619000 0.9650000       4.433000      0.7868000      -1.814000       1.245000
  1 1 1      -3   22   27 o    2.979000      0.6910000       3.235000 0.9697000       2.722000      0.9846000      0.5133000       1.382000
  1 1 1      -3   23    1 o    5.727000      0.5063000       5.309000 0.6862000       6.144000      0.7446000     -0.8348000       1.013000
  1 1 1      -3   23    2 o    2.182000      0.6670000       2.187000 0.9294000       2.177000      0.9570000      0.9890000E-02   1.334000
  1 1 1      -3   23    3 f    6.685000      0.4458000       6.704000 0.6191000       6.666000      0.6417000      0.3737000E-01  0.8917000
  1 1 1      -3   23    4 o    8.757000      0.3387000       8.748000 0.4894000       8.766000      0.4682000     -0.1764000E-01  0.6773000
  1 1 1      -3   23    5 o    6.647000      0.3658000       6.328000 0.5521000       6.966000      0.4802000     -0.6386000      0.7317000
  1 1 1      -3   23    6 o    9.996000      0.3245000       10.07000 0.4793000       9.923000      0.4377000      0.1454000      0.6490000
  1 1 1      -3   23    7 o    9.786000      0.3036000       9.783000 0.4668000       9.788000      0.3882000     -0.4868000E-02  0.6071000
  1 1 1      -3   23    9 o    4.519000       1.008000       4.752000 1.504000       4.286000       1.342000      0.4666000       2.016000
  1 1 1      -3   23   10 o    4.573000      0.9524000       5.724000 1.383000       3.422000       1.309000       2.301000       1.905000
  1 1 1      -3   23   11 f    3.221000      0.5948000       3.116000 0.9232000       3.326000      0.7503000     -0.2101000       1.190000
  1 1 1      -3   23   12 f    5.199000      0.4089000       5.111000 0.6460000       5.287000      0.5015000     -0.1760000      0.8178000
  1 1 1      -3   23   13 o    2.934000      0.5743000       3.838000 0.8151000       2.031000      0.8092000       1.808000       1.149000
  1 1 1      -3   23   14 o    4.199000      0.5847000       4.217000 0.9240000       4.181000      0.7168000      0.3541000E-01   1.169000
  1 1 1      -3   23   15 o    4.052000      0.6295000       4.520000 0.9356000       3.583000      0.8424000      0.9365000       1.259000
  1 1 1      -3   23   16 o    2.649000      0.6282000       2.948000 0.9448000       2.351000      0.8281000      0.5971000       1.256000
  1 1 1      -3   23   17 o    3.383000      0.6067000       2.967000 0.9604000       3.798000      0.7417000     -0.8315000       1.213000
  1 1 1      -3   23   18 o    2.794000      0.6342000       2.699000 0.9292000       2.889000      0.8633000     -0.1906000       1.268000
  1 1 1      -3   23   19 o    2.469000      0.6197000       2.163000 0.8739000       2.775000      0.8788000     -0.6123000       1.239000
  1 1 1      -3   23   20 o    4.516000      0.5249000       3.483000 0.8927000       5.549000      0.5526000      -2.066000       1.050000
  1 1 1      -3   23   21 o    5.062000      0.4179000       5.451000 0.6103000       4.674000      0.5712000      0.7768000      0.8359000
  1 1 1      -3   23   22 o    6.000000      0.4379000       5.095000 0.7272000       6.905000      0.4880000      -1.810000      0.8758000
  1 1 1      -3   23   23 o    1.815000      0.5726000       1.751000 0.7984000       1.878000      0.8211000     -0.1276000       1.145000
  1 1 1      -3   23   24 o    2.355000      0.6624000       2.347000 0.9616000       2.363000      0.9112000     -0.1663000E-01   1.325000
  1 1 1      -3   23   25 o    1.884000      0.6017000       2.034000 0.9008000       1.734000      0.7981000      0.3006000       1.203000
  1 1 1      -3   23   26 o    2.323000      0.6540000       2.732000 0.9860000       1.914000      0.8594000      0.8180000       1.308000
  1 1 1      -3   24    1 o    3.576000      0.7681000       3.535000 0.9971000       3.616000       1.169000     -0.8078000E-01   1.536000
  1 1 1      -3   24    2 o    4.376000      0.5982000       4.172000 0.8626000       4.581000      0.8290000     -0.4093000       1.196000
  1 1 1      -3   24    4 f    4.520000       1.117000       4.454000 1.287000       4.586000       1.827000     -0.1322000       2.235000
  1 1 1      -3   24    5 o    2.980000      0.9229000       3.200000 1.267000       2.760000       1.343000      0.4405000       1.846000
  1 1 1      -3   24    6 o    2.939000      0.7555000       2.739000 1.215000       3.139000      0.8989000     -0.3999000       1.511000
  1 1 1      -3   24    7 o    3.135000      0.5912000       2.128000 0.8923000       4.142000      0.7759000      -2.015000       1.182000
  1 1 1      -3   24    8 o    7.161000      0.3941000       7.106000 0.6099000       7.215000      0.4994000     -0.1087000      0.7882000
  1 1 1      -3   24    9 o    5.052000      0.4446000       4.981000 0.6922000       5.123000      0.5582000     -0.1420000      0.8892000
  1 1 1      -3   24   10 o    1.916000      0.5835000       2.347000 0.9367000       1.485000      0.6961000      0.8616000       1.167000
  1 1 1      -3   24   11 o    2.523000      0.6564000       2.437000 0.9642000       2.609000      0.8910000     -0.1723000       1.313000
  1 1 1      -3   24   12 o    2.261000      0.6287000       1.860000 0.8602000       2.662000      0.9172000     -0.8016000       1.257000
  1 1 1      -3   24   13 o    1.696000      0.5411000       1.489000 0.7191000       1.904000      0.8088000     -0.4146000       1.082000
  1 1 1      -3   24   14 o    3.188000      0.5574000       2.289000 0.9063000       4.088000      0.6491000      -1.799000       1.115000
  1 1 1      -3   24   15 o    2.097000      0.5721000       1.619000 0.7606000       2.576000      0.8548000     -0.9570000       1.144000
  1 1 1      -3   24   16 o    1.709000      0.5532000       2.006000 0.8799000       1.411000      0.6708000      0.5957000       1.106000
  1 1 1      -3   24   17 f    4.837000      0.5209000       4.024000 0.8838000       5.650000      0.5516000      -1.626000       1.042000
  1 1 1      -3   24   18 o    6.650000      0.3880000       6.578000 0.6036000       6.722000      0.4878000     -0.1437000      0.7760000
  1 1 1      -3   24   19 o    5.609000      0.4420000       5.353000 0.6848000       5.866000      0.5591000     -0.5132000      0.8841000
  1 1 1      -3   24   20 o    5.236000      0.4505000       5.287000 0.6213000       5.185000      0.6525000      0.1019000      0.9010000
  1 1 1      -3   24   21 o    5.760000      0.4490000       6.140000 0.6078000       5.380000      0.6611000      0.7596000      0.8981000
  1 1 1      -3   24   22 o    2.165000      0.6178000       1.684000 0.7967000       2.646000      0.9445000     -0.9626000       1.236000
  1 1 1      -3   24   23 f    1.953000      0.6107000       1.671000 0.8009000       2.236000      0.9221000     -0.5645000       1.221000
  1 1 1      -3   24   24 o    1.870000      0.5994000       2.069000 0.9078000       1.672000      0.7828000      0.3965000       1.199000
  1 1 1      -3   24   25 o    2.718000      0.6928000       2.502000 0.9765000       2.934000      0.9829000     -0.4318000       1.386000
  1 1 1      -3   25    1 o    4.404000      0.6364000       5.655000 0.6935000       3.153000       1.067000       2.502000       1.273000
  1 1 1      -3   25    2 o    6.484000      0.4883000       7.026000 0.6787000       5.942000      0.7021000       1.085000      0.9765000
  1 1 1      -3   25    3 o    6.540000      0.5138000       7.244000 0.6449000       5.835000      0.8001000       1.408000       1.028000
  1 1 1      -3   25    4 o    4.085000      0.6684000       4.101000 0.9000000       4.068000      0.9884000      0.3325000E-01   1.337000
  1 1 1      -3   25    5 o    1.996000      0.5992000       1.717000 0.7849000       2.275000      0.9055000     -0.5583000       1.198000
  1 1 1      -3   25    6 o    2.432000      0.6522000       2.660000 0.9585000       2.203000      0.8849000      0.4570000       1.304000
  1 1 1      -3   25    7 o    6.615000      0.4253000       6.342000 0.6447000       6.888000      0.5549000     -0.5456000      0.8506000
  1 1 1      -3   25    8 o    3.918000      0.6247000       4.212000 0.8956000       3.624000      0.8711000      0.5884000       1.249000
  1 1 1      -3   25    9 o    1.901000      0.5863000       1.984000 0.8645000       1.817000      0.7922000      0.1670000       1.173000
  1 1 1      -3   25   10 o    3.290000      0.6309000       2.791000 0.9771000       3.789000      0.7983000     -0.9987000       1.262000
  1 1 1      -3   25   11 o    2.784000      0.6130000       3.724000 0.9213000       1.844000      0.8089000       1.880000       1.226000
  1 1 1      -3   25   12 o    1.751000      0.5500000       1.445000 0.7045000       2.058000      0.8448000     -0.6137000       1.100000
  1 1 1      -3   25   13 o    4.809000      0.5465000       4.177000 0.9514000       5.441000      0.5381000      -1.264000       1.093000
  1 1 1      -3   25   14 o    2.137000      0.6143000       2.111000 0.9092000       2.163000      0.8263000     -0.5205000E-01   1.229000
  1 1 1      -3   25   15 f    2.435000      0.6423000       2.641000 0.9458000       2.228000      0.8692000      0.4130000       1.285000
  1 1 1      -3   25   16 f    3.134000      0.6746000       3.054000 1.008000       3.214000      0.8967000     -0.1606000       1.349000
  1 1 1      -3   25   17 o    3.235000      0.6559000       3.136000 0.9745000       3.334000      0.8781000     -0.1977000       1.312000
  1 1 1      -3   25   18 o    4.656000      0.5906000       3.685000 1.016000       5.627000      0.6017000      -1.941000       1.181000
  1 1 1      -3   25   19 o    3.211000      0.7333000       3.000000 1.043000       3.421000       1.031000     -0.4214000       1.467000
  1 1 1      -3   25   20 o    2.362000      0.6707000       2.334000 0.9592000       2.391000      0.9377000     -0.5641000E-01   1.341000
  1 1 1      -3   25   21 o    2.341000      0.6421000       1.821000 0.8524000       2.861000      0.9606000      -1.040000       1.284000
  1 1 1      -3   25   22 o    3.950000      0.6631000       4.634000 0.9098000       3.265000      0.9650000       1.369000       1.326000
  1 1 1      -3   25   23 o    4.277000      0.6326000       3.710000 0.9998000       4.845000      0.7752000      -1.136000       1.265000
  1 1 1      -3   26    1 o    4.586000      0.7139000       5.269000 0.9213000       3.903000       1.091000       1.366000       1.428000
  1 1 1      -3   26    2 o    5.367000      0.6234000       4.847000 0.9612000       5.887000      0.7940000      -1.040000       1.247000
  1 1 1      -3   26    3 o    6.425000      0.5184000       5.948000 0.7656000       6.903000      0.6993000     -0.9553000       1.037000
  1 1 1      -3   26    4 o    3.626000      0.5678000       1.942000 0.8659000       5.310000      0.7346000      -3.367000       1.136000
  1 1 1      -3   26    5 o    1.720000      0.5680000       1.673000 0.7889000       1.767000      0.8173000     -0.9497000E-01   1.136000
  1 1 1      -3   26    6 o    3.836000      0.6545000       3.791000 0.9340000       3.882000      0.9172000     -0.9073000E-01   1.309000
  1 1 1      -3   26    7 o    2.680000      0.6569000       2.115000 0.9098000       3.245000      0.9478000      -1.130000       1.314000
  1 1 1      -3   26    8 o    3.097000      0.6813000       3.400000 0.9857000       2.793000      0.9407000      0.6064000       1.363000
  1 1 1      -3   26    9 o    2.706000      0.6642000       2.523000 0.9763000       2.890000      0.9008000     -0.3677000       1.328000
  1 1 1      -3   26   10 o    2.300000      0.6290000       2.628000 0.9710000       1.971000      0.7999000      0.6567000       1.258000
  1 1 1      -3   26   11 o    1.824000      0.5783000       1.986000 0.8864000       1.662000      0.7429000      0.3239000       1.157000
  1 1 1      -3   26   12 o    5.681000      0.4379000       6.305000 0.6400000       5.056000      0.5979000       1.250000      0.8758000
  1 1 1      -3   26   13 o    2.668000      0.6759000       2.645000 1.005000       2.691000      0.9035000     -0.4604000E-01   1.352000
  1 1 1      -3   26   14 o    2.329000      0.6527000       2.962000 1.049000       1.696000      0.7775000       1.266000       1.305000
  1 1 1      -3   26   15 o    2.672000      0.6855000       2.638000 1.011000       2.706000      0.9260000     -0.6825000E-01   1.371000
  1 1 1      -3   26   16 o    2.439000      0.6733000       2.417000 0.9759000       2.461000      0.9277000     -0.4364000E-01   1.347000
  1 1 1      -3   26   17 o    2.150000      0.6511000       2.108000 0.9354000       2.192000      0.9061000     -0.8387000E-01   1.302000
  1 1 1      -3   26   18 o    1.887000      0.6109000       2.151000 0.9534000       1.624000      0.7639000      0.5269000       1.222000
  1 1 1      -3   26   19 o    3.969000      0.6393000       2.985000 1.069000       4.952000      0.7020000      -1.968000       1.279000
  1 1 1      -3   26   20 o    2.806000      0.7309000       2.714000 1.057000       2.898000       1.010000     -0.1842000       1.462000
  1 1 1      -3   26   21 o    1.959000      0.6181000       1.623000 0.7886000       2.295000      0.9519000     -0.6724000       1.236000
  1 1 1      -3   26   22 o    1.965000      0.9024000       1.965000 0.9024000                  ?              ?              ?              ?
  1 1 1      -3   27    1 o    1.938000      0.6389000       1.858000 0.8746000       2.018000      0.9316000     -0.1604000       1.278000
  1 1 1      -3   27    2 o    1.940000      0.6347000       2.190000 0.9698000       1.691000      0.8190000      0.4999000       1.269000
  1 1 1      -3   27    3 o    3.826000      0.7425000       4.264000 1.005000       3.389000       1.093000      0.8747000       1.485000
  1 1 1      -3   27    4 o    4.111000      0.7557000       4.095000 1.095000       4.126000       1.042000     -0.3111000E-01   1.511000
  1 1 1      -3   27    5 o    1.953000      0.6173000       2.155000 0.9305000       1.751000      0.8113000      0.4034000       1.235000
  1 1 1      -3   27    6 o    2.411000      0.6764000       2.708000 1.009000       2.113000      0.9005000      0.5945000       1.353000
  1 1 1      -3   27    7 o    4.073000      0.6391000       3.354000 1.016000       4.793000      0.7752000      -1.439000       1.278000
  1 1 1      -3   27    8 o    2.793000      0.6783000       2.277000 0.9618000       3.309000      0.9567000      -1.031000       1.357000
  1 1 1      -3   27    9 o    3.280000      0.7103000       3.210000 1.032000       3.349000      0.9760000     -0.1396000       1.421000
  1 1 1      -3   27   10 o    2.420000      0.6810000       2.721000 1.033000       2.118000      0.8874000      0.6022000       1.362000
  1 1 1      -3   27   11 o    3.672000      0.6651000       3.182000 1.055000       4.162000      0.8104000     -0.9804000       1.330000
  1 1 1      -3   27   12 o    4.878000      0.5819000       4.016000 0.9868000       5.740000      0.6169000      -1.724000       1.164000
  1 1 1      -3   27   13 o    4.888000      0.6030000       3.883000 1.025000       5.894000      0.6363000      -2.011000       1.206000
  1 1 1      -3   27   14 o    2.976000      0.7371000       2.930000 1.067000       3.022000       1.017000     -0.9250000E-01   1.474000
  1 1 1      -3   27   15 o    5.429000      0.5641000       5.639000 0.8269000       5.219000      0.7676000      0.4192000       1.128000
  1 1 1      -3   27   16 o    2.267000      0.6698000       2.155000 0.9467000       2.379000      0.9478000     -0.2240000       1.340000
  1 1 1      -3   27   17 o    2.952000      0.6903000       2.375000 1.004000       3.528000      0.9476000      -1.154000       1.381000
  1 1 1      -3   27   18 o    2.086000      0.6326000       1.686000 0.8095000       2.486000      0.9722000     -0.7993000       1.265000
  1 1 1      -3   27   19 o    2.046000      0.6410000       2.199000 0.9528000       1.894000      0.8576000      0.3058000       1.282000
  1 1 1      -3   27   20 o    2.541000      0.6930000       2.051000 0.9331000       3.030000       1.025000     -0.9795000       1.386000
  1 1 1      -3   28    1 o    4.157000      0.7706000       3.198000 1.191000       5.115000      0.9781000      -1.917000       1.541000
  1 1 1      -3   28    2 o    4.535000      0.7464000       4.493000 1.086000       4.577000       1.024000     -0.8336000E-01   1.493000
  1 1 1      -3   28    3 o    2.335000      0.7152000       2.205000 0.9875000       2.464000       1.035000     -0.2597000       1.430000
  1 1 1      -3   28    4 o    4.705000      0.6569000       4.727000 0.9530000       4.683000      0.9043000      0.4430000E-01   1.314000
  1 1 1      -3   28    5 o    2.691000      0.7139000       2.499000 1.003000       2.883000       1.016000     -0.3840000       1.428000
  1 1 1      -3   28    6 o    2.962000      0.7094000       3.222000 1.013000       2.701000      0.9929000      0.5205000       1.419000
  1 1 1      -3   28    7 o    1.956000      0.6148000       2.345000 0.9697000       1.566000      0.7561000      0.7784000       1.230000
  1 1 1      -3   28    8 o    2.545000      0.7060000       2.592000 1.029000       2.499000      0.9667000      0.9248000E-01   1.412000
  1 1 1      -3   28    9 o    3.410000      0.6681000       4.610000 0.9490000       2.210000      0.9408000       2.399000       1.336000
  1 1 1      -3   28   10 o    3.092000      0.6928000       2.619000 1.030000       3.564000      0.9270000     -0.9443000       1.386000
  1 1 1      -3   28   11 o    2.892000      0.6930000       3.477000 1.046000       2.307000      0.9088000       1.170000       1.386000
  1 1 1      -3   28   12 o    2.711000      0.7036000       2.955000 1.046000       2.467000      0.9414000      0.4880000       1.407000
  1 1 1      -3   28   13 o    1.742000      0.5710000       1.551000 0.7565000       1.932000      0.8555000     -0.3806000       1.142000
  1 1 1      -3   28   14 o    2.551000      0.7141000       2.207000 0.9725000       2.895000       1.046000     -0.6880000       1.428000
  1 1 1      -3   28   15 o    2.987000      0.7489000       2.612000 1.052000       3.362000       1.066000     -0.7503000       1.498000
  1 1 1      -3   28   16 o    4.612000      0.6769000       4.340000 1.026000       4.885000      0.8838000     -0.5446000       1.354000
  1 1 1      -3   28   17 o    2.303000      0.7012000       2.260000 0.9921000       2.347000      0.9912000     -0.8675000E-01   1.402000
  1 1 1      -3   28   18 o    2.388000      0.6714000       1.939000 0.8888000       2.837000       1.007000     -0.8986000       1.343000
  1 1 1      -3   29    1 o    3.353000      0.8673000       3.523000 1.265000       3.183000       1.187000      0.3397000       1.735000
  1 1 1      -3   29    2 o    2.761000      0.7971000       2.872000 1.172000       2.651000       1.081000      0.2204000       1.594000
  1 1 1      -3   29    3 o    3.307000      0.8157000       3.229000 1.177000       3.384000       1.129000     -0.1551000       1.631000
  1 1 1      -3   29    4 o    2.994000      0.7698000       2.734000 1.097000       3.255000       1.080000     -0.5208000       1.540000
  1 1 1      -3   29    5 o    2.044000      0.6655000       2.104000 0.9718000       1.984000      0.9095000      0.1199000       1.331000
  1 1 1      -3   29    6 f    2.994000      0.6784000       2.087000 0.9371000       3.902000      0.9813000      -1.814000       1.357000
  1 1 1      -3   29    7 o    1.942000      0.6263000       1.962000 0.8923000       1.922000      0.8790000      0.4010000E-01   1.253000
  1 1 1      -3   29    8 o    3.050000      0.7473000       2.699000 1.061000       3.401000       1.053000     -0.7019000       1.495000
  1 1 1      -3   29    9 o    2.778000      0.7536000       3.257000 1.143000       2.299000      0.9818000      0.9581000       1.507000
  1 1 1      -3   29   10 o    3.459000      0.7402000       2.726000 1.089000       4.192000       1.003000      -1.467000       1.480000
  1 1 1      -3   29   11 o    3.062000      0.7827000       3.095000 1.122000       3.028000       1.092000      0.6719000E-01   1.565000
  1 1 1      -3   29   12 o    2.062000      0.6472000       2.388000 0.9997000       1.737000      0.8222000      0.6511000       1.294000
  1 1 1      -3   29   13 o    2.917000      0.7354000       3.111000 1.078000       2.723000       1.001000      0.3879000       1.471000
  1 1 1      -3   29   14 o    2.462000      0.7127000       2.318000 0.9923000       2.605000       1.023000     -0.2866000       1.425000
  1 1 1      -3   29   15 o    2.628000      0.7427000       2.617000 1.072000       2.640000       1.029000     -0.2388000E-01   1.485000
  1 1 1      -3   29   16 o    3.007000      0.7578000       2.923000 1.104000       3.092000       1.038000     -0.1688000       1.516000
  1 1 1      -3   30    1 o    2.660000      0.7901000       2.378000 1.058000       2.941000       1.174000     -0.5626000       1.580000
  1 1 1      -3   30    2 o    2.870000      0.7987000       3.520000 1.225000       2.221000       1.025000       1.299000       1.597000
  1 1 1      -3   30    3 o    3.069000      0.8315000       3.148000 1.189000       2.989000       1.163000      0.1591000       1.663000
  1 1 1      -3   30    4 o    2.345000      0.7319000       2.369000 1.047000       2.320000       1.023000      0.4980000E-01   1.464000
  1 1 1      -3   30    5 o    2.373000      0.7183000       2.614000 1.082000       2.132000      0.9446000      0.4825000       1.437000
  1 1 1      -3   30    6 o    4.330000      0.7679000       5.318000 1.015000       3.341000       1.153000       1.977000       1.536000
  1 1 1      -3   30    7 f    4.425000      0.7486000       4.771000 1.042000       4.079000       1.075000      0.6922000       1.497000
  1 1 1      -3   30    8 o    2.692000      0.7723000       2.564000 1.077000       2.819000       1.107000     -0.2551000       1.545000
  1 1 1      -3   30    9 o    2.591000      0.7677000       2.550000 1.078000       2.632000       1.093000     -0.8231000E-01   1.535000
  1 1 1      -3   30   10 o    4.150000      0.7554000       4.495000 1.066000       3.804000       1.071000      0.6904000       1.511000
  1 1 1      -3   30   11 o    2.581000      0.7390000       2.492000 1.042000       2.670000       1.048000     -0.1778000       1.478000
  1 1 1      -3   30   12 o    2.707000      0.7228000       1.971000 0.9376000       3.444000       1.100000      -1.473000       1.446000
  1 1 1      -3   30   13 o    3.048000      0.7620000       3.215000 1.099000       2.880000       1.056000      0.3350000       1.524000
  1 1 1      -3   31    1 o    3.418000      0.7510000       4.591000 1.104000       2.244000       1.019000       2.348000       1.502000
  1 1 1      -3   31    2 f    3.192000      0.8302000       3.642000 1.225000       2.741000       1.120000      0.9004000       1.660000
  1 1 1      -3   31    3 o    3.977000      0.7986000       5.153000 1.130000       2.800000       1.129000       2.353000       1.597000
  1 1 1      -3   31    4 o    4.340000      0.8144000       4.688000 1.187000       3.991000       1.115000      0.6970000       1.629000
  1 1 1      -3   31    5 o    3.406000      0.8087000       2.984000 1.150000       3.828000       1.137000     -0.8444000       1.617000
  1 1 1      -3   31    6 o    4.544000      0.7279000       3.832000 1.148000       5.257000      0.8957000      -1.425000       1.456000
  1 1 1      -3   31    7 o    2.288000      0.7213000       2.285000 1.025000       2.290000       1.016000     -0.4677000E-02   1.443000
  1 1 1      -3   31    8 o    2.554000      0.7424000       2.039000 0.9526000       3.069000       1.139000      -1.030000       1.485000
  1 1 1      -3   31    9 o    2.344000      0.7269000       2.405000 1.043000       2.282000       1.013000      0.1233000       1.454000
  1 1 1      -3   31   10 o    3.139000      0.9054000       2.962000 1.058000       3.315000       1.470000     -0.3532000       1.811000
  1 1 1      -3   32    1 o    2.916000      0.8252000       2.851000 1.146000       2.980000       1.187000     -0.1293000       1.650000
  1 1 1      -3   32    2 o    2.753000      0.7729000       3.321000 1.174000       2.185000       1.006000       1.136000       1.546000
  1 1 1      -3   32    3 o    2.881000      0.9190000       2.510000 1.096000       3.252000       1.476000     -0.7426000       1.838000
  1 1 1      -3   32    4 o    4.982000       1.657000                  ?       ?   4.982000       1.657000                  ?              ?
  1 1 1      -3   32    5 o    3.451000       1.384000                  ?       ?   3.451000       1.384000                  ?              ?
  1 1 1      -2  -34    1 o    2.182000      0.6999000       2.256000 1.023000       2.108000      0.9560000      0.1479000       1.400000
  1 1 1      -2  -34    2 o    2.930000      0.7921000       3.174000 1.175000       2.687000       1.062000      0.4875000       1.584000
  1 1 1      -2  -34    3 o    2.343000      0.7126000       2.067000 0.9711000       2.618000       1.043000     -0.5508000       1.425000
  1 1 1      -2  -34    4 o    3.251000      0.7636000       2.751000 1.122000       3.751000       1.036000      -1.001000       1.527000
  1 1 1      -2  -34    5 o    2.930000      0.7842000       3.218000 1.177000       2.642000       1.037000      0.5753000       1.568000
  1 1 1      -2  -33    1 o    2.339000      0.7320000       2.294000 1.043000       2.385000       1.027000     -0.9111000E-01   1.464000
  1 1 1      -2  -33    2 o    3.231000      0.8317000       3.502000 1.226000       2.961000       1.125000      0.5409000       1.663000
  1 1 1      -2  -33    3 o    2.961000      0.7757000       2.435000 1.084000       3.488000       1.110000      -1.053000       1.551000
  1 1 1      -2  -33    4 o    3.409000      0.8328000       3.433000 1.221000       3.386000       1.132000      0.4756000E-01   1.666000
  1 1 1      -2  -33    5 o    3.702000      0.8513000       4.624000 1.307000       2.779000       1.091000       1.845000       1.703000
  1 1 1      -2  -33    6 o    3.360000      0.7792000       3.858000 1.150000       2.861000       1.052000      0.9973000       1.558000
  1 1 1      -2  -33    7 o    2.554000      0.7332000       3.084000 1.147000       2.024000      0.9138000       1.060000       1.466000
  1 1 1      -2  -33    8 o    3.207000      0.7690000       2.856000 1.179000       3.558000      0.9880000     -0.7021000       1.538000
  1 1 1      -2  -33    9 o    3.133000      0.8193000       3.674000 1.251000       2.592000       1.058000       1.082000       1.639000
  1 1 1      -2  -33   10 o    3.481000      0.7274000       2.292000 1.062000       4.670000      0.9945000      -2.377000       1.455000
  1 1 1      -2  -32    1 o    1.966000      0.6625000       1.895000 0.9252000       2.037000      0.9484000     -0.1423000       1.325000
  1 1 1      -2  -32    2 o    2.980000      0.8210000       2.636000 1.154000       3.323000       1.168000     -0.6871000       1.642000
  1 1 1      -2  -32    3 o    3.043000      0.7926000       2.479000 1.109000       3.608000       1.133000      -1.129000       1.585000
  1 1 1      -2  -32    4 o    2.487000      0.7606000       2.667000 1.136000       2.306000       1.012000      0.3607000       1.521000
  1 1 1      -2  -32    5 o    3.781000      0.7998000       3.780000 1.198000       3.783000       1.061000     -0.3192000E-02   1.600000
  1 1 1      -2  -32    6 o    2.637000      0.7326000       2.196000 0.9925000       3.078000       1.078000     -0.8821000       1.465000
  1 1 1      -2  -32    7 o    3.384000      0.6655000       4.838000 0.9923000       1.930000      0.8871000       2.908000       1.331000
  1 1 1      -2  -32    8 o    2.641000       1.125000       2.641000 1.125000                  ?              ?              ?              ?
  1 1 1      -2  -32    9 f    2.751000      0.7559000       3.693000 1.244000       1.808000      0.8585000       1.885000       1.512000
  1 1 1      -2  -32   10 o    4.161000      0.9543000                  ?       ?   4.161000      0.9543000                  ?              ?
  1 1 1      -2  -32   11 o    2.126000      0.6665000       2.340000 1.021000       1.913000      0.8571000      0.4267000       1.333000
  1 1 1      -2  -32   12 o    2.642000      0.7436000       2.393000 1.053000       2.891000       1.051000     -0.4979000       1.487000
  1 1 1      -2  -32   13 o    2.863000      0.7547000       2.627000 1.079000       3.099000       1.055000     -0.4722000       1.509000
  1 1 1      -2  -32   14 o    3.402000       1.320000       3.402000 1.320000                  ?              ?              ?              ?
  1 1 1      -2  -31    1 o    2.991000      0.8272000       2.814000 1.175000       3.168000       1.165000     -0.3538000       1.654000
  1 1 1      -2  -31    2 o    2.681000      0.7770000       3.409000 1.238000       1.953000      0.9391000       1.456000       1.554000
  1 1 1      -2  -31    3 o    4.884000      0.7617000       5.477000 1.004000       4.290000       1.145000       1.187000       1.523000
  1 1 1      -2  -31    4 o    3.329000      0.8843000       3.632000 1.317000       3.027000       1.180000      0.6048000       1.769000
  1 1 1      -2  -31    5 o    3.652000      0.8060000       4.362000 1.163000       2.942000       1.116000       1.420000       1.612000
  1 1 1      -2  -31    6 o    3.770000      0.7554000       3.214000 1.135000       4.327000      0.9976000      -1.114000       1.511000
  1 1 1      -2  -31    7 o    4.232000      0.7606000       3.917000 1.145000       4.546000       1.002000     -0.6296000       1.521000
  1 1 1      -2  -31    8 o    2.052000      0.6720000       2.205000 1.008000       1.899000      0.8895000      0.3060000       1.344000
  1 1 1      -2  -31    9 o    2.479000      0.7329000       2.499000 1.081000       2.458000      0.9896000      0.4136000E-01   1.466000
  1 1 1      -2  -31   10 o    3.801000      0.7194000       3.191000 1.113000       4.410000      0.9117000      -1.219000       1.439000
  1 1 1      -2  -31   11 o    4.232000      0.7112000       4.159000 1.106000       4.305000      0.8941000     -0.1464000       1.422000
  1 1 1      -2  -31   12 o    2.995000      0.6879000       2.287000 1.013000       3.703000      0.9312000      -1.416000       1.376000
  1 1 1      -2  -31   13 o    2.265000      0.6611000       1.949000 0.9071000       2.581000      0.9620000     -0.6320000       1.322000
  1 1 1      -2  -31   14 o    2.287000      0.6960000       2.314000 1.022000       2.260000      0.9449000      0.5398000E-01   1.392000
  1 1 1      -2  -31   15 o    1.855000      0.6116000       1.982000 0.9172000       1.729000      0.8092000      0.2529000       1.223000
  1 1 1      -2  -31   16 o    2.808000      0.7518000       2.613000 1.068000       3.003000       1.059000     -0.3902000       1.504000
  1 1 1      -2  -30    1 o    4.359000      0.7466000       4.133000 1.092000       4.585000       1.019000     -0.4525000       1.493000
  1 1 1      -2  -30    2 o    3.427000      0.7790000       3.086000 1.101000       3.767000       1.102000     -0.6813000       1.558000
  1 1 1      -2  -30    3 o    3.437000      0.8045000       3.735000 1.147000       3.138000       1.129000      0.5966000       1.609000
  1 1 1      -2  -30    4 o    4.010000      0.7626000       3.798000 1.132000       4.222000       1.023000     -0.4242000       1.525000
  1 1 1      -2  -30    5 o    3.123000      0.7051000       2.341000 1.015000       3.904000      0.9794000      -1.563000       1.410000
  1 1 1      -2  -30    6 o    4.124000      0.6746000       4.485000 0.9189000       3.763000      0.9878000      0.7226000       1.349000
  1 1 1      -2  -30    7 o    4.777000      0.6448000       5.166000 0.8466000       4.388000      0.9729000      0.7782000       1.290000
  1 1 1      -2  -30    8 o    3.045000      0.7626000       3.277000 1.112000       2.813000       1.044000      0.4640000       1.525000
  1 1 1      -2  -30    9 o    3.551000      0.7776000       4.702000 1.204000       2.399000      0.9844000       2.302000       1.555000
  1 1 1      -2  -30   10 o    3.276000      0.7504000       3.554000 1.108000       2.999000       1.012000      0.5549000       1.501000
  1 1 1      -2  -30   11 o    3.343000      0.6863000       2.850000 1.078000       3.837000      0.8492000     -0.9868000       1.373000
  1 1 1      -2  -30   12 o    4.515000      0.6779000       4.450000 1.075000       4.580000      0.8268000     -0.1308000       1.356000
  1 1 1      -2  -30   13 o    2.997000      0.7137000       2.756000 1.051000       3.239000      0.9654000     -0.4828000       1.427000
  1 1 1      -2  -30   14 f    2.504000      0.6694000       2.046000 0.9327000       2.962000      0.9603000     -0.9159000       1.339000
  1 1 1      -2  -30   15 o    3.257000      0.6734000       2.594000 1.046000       3.921000      0.8480000      -1.327000       1.347000
  1 1 1      -2  -30   16 o    2.763000      0.7004000       3.086000 1.022000       2.439000      0.9583000      0.6472000       1.401000
  1 1 1      -2  -30   17 o    2.633000      0.6571000       2.032000 0.8874000       3.234000      0.9694000      -1.201000       1.314000
  1 1 1      -2  -30   18 o    2.864000      0.7196000       2.911000 1.010000       2.816000       1.026000      0.9480000E-01   1.439000
  1 1 1      -2  -29    1 o    2.537000      0.7039000       1.981000 0.8953000       3.092000       1.087000      -1.111000       1.408000
  1 1 1      -2  -29    2 o    4.503000      0.6480000       4.876000 0.8491000       4.130000      0.9792000      0.7458000       1.296000
  1 1 1      -2  -29    3 o    2.846000      0.7679000       2.982000 1.110000       2.710000       1.062000      0.2717000       1.536000
  1 1 1      -2  -29    4 o    2.593000      0.7057000       2.812000 1.038000       2.374000      0.9565000      0.4378000       1.411000
  1 1 1      -2  -29    5 o    2.305000      0.6572000       2.255000 0.9504000       2.356000      0.9078000     -0.1011000       1.314000
  1 1 1      -2  -29    6 f    3.470000      0.6768000       3.239000 1.005000       3.701000      0.9065000     -0.4625000       1.354000
  1 1 1      -2  -29    7 o    5.949000      0.4664000       5.786000 0.7145000       6.113000      0.5997000     -0.3277000      0.9328000
  1 1 1      -2  -29    8 o    2.841000      0.7003000       3.295000 1.069000       2.387000      0.9046000      0.9078000       1.401000
  1 1 1      -2  -29    9 o    2.157000      0.9389000       2.157000 0.9389000                  ?              ?              ?              ?
  1 1 1      -2  -29   10 o    2.659000      0.6382000       2.289000 0.9367000       3.029000      0.8672000     -0.7408000       1.276000
  1 1 1      -2  -29   11 o    3.525000      0.6676000       4.082000 0.9675000       2.968000      0.9203000       1.114000       1.335000
  1 1 1      -2  -29   12 o    3.379000      0.6327000       2.775000 1.014000       3.983000      0.7568000      -1.209000       1.265000
  1 1 1      -2  -29   13 o    3.280000      0.6505000       4.391000 0.9551000       2.170000      0.8835000       2.221000       1.301000
  1 1 1      -2  -29   14 f    2.973000      0.6751000       2.755000 1.015000       3.192000      0.8898000     -0.4375000       1.350000
  1 1 1      -2  -29   15 o    1.796000      0.5855000       1.858000 0.8575000       1.734000      0.7974000      0.1241000       1.171000
  1 1 1      -2  -29   16 o    3.135000      0.7014000       3.367000 0.9958000       2.902000      0.9881000      0.4650000       1.403000
  1 1 1      -2  -29   17 o    3.628000      0.6414000       3.207000 0.9802000       4.050000      0.8275000     -0.8426000       1.283000
  1 1 1      -2  -29   18 o    2.360000      0.6833000       2.290000 0.9652000       2.430000      0.9675000     -0.1404000       1.367000
  1 1 1      -2  -29   19 o    3.087000      0.6865000       2.994000 0.9885000       3.180000      0.9529000     -0.1856000       1.373000
  1 1 1      -2  -29   20 o    2.698000      0.6911000       2.696000 0.9828000       2.700000      0.9720000     -0.3658000E-02   1.382000
  1 1 1      -2  -28    1 o    3.861000      0.9829000       4.673000 1.401000       3.049000       1.379000       1.623000       1.966000
  1 1 1      -2  -28    2 o    3.237000      0.9693000       2.687000 1.202000       3.787000       1.521000      -1.100000       1.939000
  1 1 1      -2  -28    3 o    4.231000       1.033000       3.123000 1.316000       5.340000       1.594000      -2.216000       2.067000
  1 1 1      -2  -28    4 o    2.992000      0.9592000       2.812000 1.289000       3.173000       1.421000     -0.3612000       1.918000
  1 1 1      -2  -28    5 f    3.953000       1.085000       3.810000 1.482000       4.097000       1.586000     -0.2872000       2.171000
  1 1 1      -2  -28    6 o    3.197000      0.8896000       2.287000 0.8250000       4.107000       1.576000      -1.820000       1.779000
  1 1 1      -2  -28    7 o    2.798000      0.8102000       2.102000 0.8013000       3.494000       1.408000      -1.393000       1.620000
  1 1 1      -2  -28    8 o    3.951000      0.7587000       2.593000 0.8675000       5.309000       1.245000      -2.716000       1.517000
  1 1 1      -2  -28    9 o    3.704000       1.283000       3.704000 1.283000                  ?              ?              ?              ?
  1 1 1      -2  -28   10 o    3.216000      0.8634000       3.857000 1.283000       2.575000       1.156000       1.282000       1.727000
  1 1 1      -2  -28   11 o    1.855000      0.9203000                  ?       ?   1.855000      0.9203000                  ?              ?
  1 1 1      -2  -28   12 o    3.016000      0.8556000       2.524000 1.119000       3.507000       1.295000     -0.9831000       1.711000
  1 1 1      -2  -28   13 f    4.302000      0.8482000       4.114000 1.216000       4.490000       1.183000     -0.3768000       1.696000
  1 1 1      -2  -28   14 o    4.037000      0.7683000       3.359000 1.125000       4.716000       1.047000      -1.357000       1.537000
  1 1 1      -2  -28   15 f    3.908000      0.7827000       3.373000 1.122000       4.444000       1.091000      -1.071000       1.565000
  1 1 1      -2  -28   16 o    2.968000      0.7906000       3.014000 1.087000       2.921000       1.148000      0.9305000E-01   1.581000
  1 1 1      -2  -28   17 f    3.647000      0.7661000       2.929000 1.061000       4.366000       1.105000      -1.436000       1.532000
  1 1 1      -2  -28   18 o    1.979000      0.6287000       1.949000 0.9020000       2.009000      0.8759000     -0.6051000E-01   1.257000
  1 1 1      -2  -28   19 o    2.650000      0.5657000       1.665000 0.7777000       3.635000      0.8218000      -1.970000       1.131000
  1 1 1      -2  -28   20 o    2.204000      0.6130000       2.555000 0.9189000       1.853000      0.8116000      0.7017000       1.226000
  1 1 1      -2  -28   21 o    2.046000      0.6246000       2.004000 0.8760000       2.087000      0.8907000     -0.8296000E-01   1.249000
  1 1 1      -2  -28   22 o    3.583000      0.5924000       4.701000 0.7331000       2.465000      0.9308000       2.236000       1.185000
  1 1 1      -2  -27    1 o    4.112000      0.6223000       3.446000 0.9441000       4.779000      0.8111000      -1.333000       1.245000
  1 1 1      -2  -27    2 o    5.601000      0.5968000       5.309000 0.8486000       5.892000      0.8393000     -0.5835000       1.194000
  1 1 1      -2  -27    3 o    6.113000      0.4504000       6.462000 0.5902000       5.764000      0.6804000      0.6973000      0.9007000
  1 1 1      -2  -27    4 o    5.763000      0.4521000       6.197000 0.6252000       5.329000      0.6531000      0.8681000      0.9042000
  1 1 1      -2  -27    5 o    3.603000      0.5608000       3.247000 0.8777000       3.960000      0.6984000     -0.7137000       1.122000
  1 1 1      -2  -27    6 o    7.065000      0.3685000       6.490000 0.5710000       7.641000      0.4658000      -1.151000      0.7369000
  1 1 1      -2  -27    7 o    5.922000      0.4024000       5.488000 0.6449000       6.356000      0.4816000     -0.8683000      0.8049000
  1 1 1      -2  -27    8 o    5.115000      0.4214000       4.910000 0.6816000       5.320000      0.4956000     -0.4102000      0.8428000
  1 1 1      -2  -27    9 o    3.004000      0.6692000       3.463000 1.024000       2.544000      0.8616000      0.9183000       1.338000
  1 1 1      -2  -27   10 o    2.774000      0.6600000       3.067000 1.044000       2.481000      0.8082000      0.5853000       1.320000
  1 1 1      -2  -27   11 o    6.935000      0.3199000       7.165000 0.4957000       6.705000      0.4046000      0.4605000      0.6398000
  1 1 1      -2  -27   12 o    2.396000      0.6908000       2.466000 0.9481000       2.326000       1.005000      0.1397000       1.382000
  1 1 1      -2  -27   13 o    7.436000      0.3802000       7.235000 0.4699000       7.636000      0.5979000     -0.4012000      0.7604000
  1 1 1      -2  -27   14 o    8.018000      0.2750000       7.904000 0.4299000       8.132000      0.3430000     -0.2286000      0.5500000
  1 1 1      -2  -27   15 o    1.821000      0.5623000       2.027000 0.8593000       1.615000      0.7255000      0.4120000       1.125000
  1 1 1      -2  -27   16 o    2.534000      0.6115000       3.054000 0.9038000       2.014000      0.8238000       1.040000       1.223000
  1 1 1      -2  -27   17 o    2.544000      0.6066000       3.094000 0.8865000       1.994000      0.8281000       1.100000       1.213000
  1 1 1      -2  -27   18 o    1.700000      0.5440000       1.742000 0.7937000       1.658000      0.7442000      0.8389000E-01   1.088000
  1 1 1      -2  -27   19 o    2.234000      0.6035000       2.817000 0.9473000       1.651000      0.7481000       1.166000       1.207000
  1 1 1      -2  -27   20 o    3.927000      0.7093000       3.723000 0.9830000       4.131000       1.023000     -0.4072000       1.419000
  1 1 1      -2  -27   21 o    3.165000      0.7098000       3.925000 0.9754000       2.405000       1.031000       1.520000       1.420000
  1 1 1      -2  -27   22 o    3.545000      0.7871000       3.714000 1.041000       3.376000       1.181000      0.3381000       1.574000
  1 1 1      -2  -27   23 o    2.603000      0.7375000       2.015000 0.8991000       3.191000       1.169000      -1.176000       1.475000
  1 1 1      -2  -26    1 o    4.057000      0.6804000       4.260000 0.8494000       3.855000       1.063000      0.4049000       1.361000
  1 1 1      -2  -26    2 o    6.420000      0.5071000       6.040000 0.7027000       6.801000      0.7314000     -0.7614000       1.014000
  1 1 1      -2  -26    3 o    6.359000      0.4361000       5.981000 0.6153000       6.738000      0.6181000     -0.7579000      0.8721000
  1 1 1      -2  -26    4 o    5.271000      0.4863000       4.682000 0.7510000       5.859000      0.6180000      -1.176000      0.9726000
  1 1 1      -2  -26    5 o    5.144000      0.4480000       4.541000 0.7136000       5.747000      0.5419000      -1.206000      0.8960000
  1 1 1      -2  -26    6 o    5.085000      0.4071000       5.280000 0.5911000       4.891000      0.5600000      0.3894000      0.8142000
  1 1 1      -2  -26    7 o    2.978000      0.5815000       2.451000 0.9006000       3.505000      0.7358000      -1.054000       1.163000
  1 1 1      -2  -26    8 o    3.883000      0.5156000       3.539000 0.8694000       4.227000      0.5546000     -0.6878000       1.031000
  1 1 1      -2  -26    9 o    3.624000      0.4663000       3.868000 0.7336000       3.381000      0.5759000      0.4874000      0.9326000
  1 1 1      -2  -26   10 o    8.304000      0.2871000       8.408000 0.4550000       8.200000      0.3502000      0.2075000      0.5742000
  1 1 1      -2  -26   11 o    5.241000      0.3938000       4.724000 0.6748000       5.758000      0.4062000      -1.034000      0.7876000
  1 1 1      -2  -26   12 f    3.910000      0.5837000       3.086000 1.066000       4.735000      0.4752000      -1.649000       1.167000
  1 1 1      -2  -26   13 o    4.440000      0.4205000       4.462000 0.6930000       4.419000      0.4765000      0.4281000E-01  0.8410000
  1 1 1      -2  -26   14 o    6.590000      0.2750000       5.953000 0.4413000       7.228000      0.3284000      -1.275000      0.5501000
  1 1 1      -2  -26   15 o    2.725000      0.6490000       3.848000 1.071000       1.602000      0.7330000       2.246000       1.298000
  1 1 1      -2  -26   16 o    3.106000      0.7331000       3.256000 1.159000       2.956000      0.8977000      0.3007000       1.466000
  1 1 1      -2  -26   17 o    3.252000      0.7734000       3.535000 1.211000       2.969000      0.9623000      0.5667000       1.547000
  1 1 1      -2  -26   18 o    2.215000      0.6828000       2.200000 0.9973000       2.229000      0.9330000     -0.2914000E-01   1.366000
  1 1 1      -2  -26   19 o    2.137000      0.6627000       2.546000 1.066000       1.729000      0.7870000      0.8170000       1.325000
  1 1 1      -2  -26   20 o    3.472000      0.5793000       3.293000 0.9093000       3.652000      0.7181000     -0.3589000       1.159000
  1 1 1      -2  -26   21 o    2.002000      0.5938000       2.216000 0.8882000       1.788000      0.7882000      0.4274000       1.188000
  1 1 1      -2  -26   22 o    1.910000      0.5793000       2.278000 0.9019000       1.542000      0.7271000      0.7354000       1.159000
  1 1 1      -2  -26   23 o    4.040000      0.5839000       3.841000 0.8849000       4.239000      0.7622000     -0.3977000       1.168000
  1 1 1      -2  -26   24 o    3.003000      0.5893000       3.979000 0.8104000       2.028000      0.8559000       1.950000       1.179000
  1 1 1      -2  -26   25 o    2.700000       1.119000                  ?       ?   2.700000       1.119000                  ?              ?
  1 1 1      -2  -25    1 o    6.255000      0.4170000       6.857000 0.5066000       5.653000      0.6625000       1.204000      0.8340000
  1 1 1      -2  -25    2 o    5.775000      0.4514000       5.445000 0.6284000       6.105000      0.6483000     -0.6597000      0.9029000
  1 1 1      -2  -25    3 o    2.032000      0.6043000       1.929000 0.8215000       2.135000      0.8864000     -0.2061000       1.209000
  1 1 1      -2  -25    4 o    2.042000      0.5776000       2.156000 0.8414000       1.928000      0.7915000      0.2283000       1.155000
  1 1 1      -2  -25    5 o    4.838000      0.4320000       4.233000 0.6951000       5.444000      0.5131000      -1.211000      0.8640000
  1 1 1      -2  -25    6 o    5.131000      0.3884000       4.790000 0.6039000       5.472000      0.4887000     -0.6815000      0.7769000
  1 1 1      -2  -25    7 o    4.621000      0.4017000       4.117000 0.6578000       5.125000      0.4614000      -1.008000      0.8035000
  1 1 1      -2  -25    8 o    7.042000      0.2913000       7.039000 0.4497000       7.045000      0.3704000     -0.5749000E-02  0.5826000
  1 1 1      -2  -25    9 o    11.30000      0.2659000       11.05000 0.4106000       11.54000      0.3379000     -0.4902000      0.5318000
  1 1 1      -2  -25   10 o    7.132000      0.2858000       7.456000 0.4549000       6.807000      0.3462000      0.6485000      0.5716000
  1 1 1      -2  -25   11 o    3.566000      0.4788000       2.629000 0.8475000       4.503000      0.4459000      -1.873000      0.9577000
  1 1 1      -2  -25   12 o    3.471000      0.4218000       2.977000 0.6649000       3.965000      0.5192000     -0.9879000      0.8436000
  1 1 1      -2  -25   13 o    1.958000      0.5266000       1.793000 0.7823000       2.123000      0.7052000     -0.3301000       1.053000
  1 1 1      -2  -25   14 o    7.650000      0.2620000       7.244000 0.4047000       8.055000      0.3327000     -0.8113000      0.5239000
  1 1 1      -2  -25   15 o    2.324000      0.5350000       1.811000 0.7659000       2.838000      0.7472000      -1.028000       1.070000
  1 1 1      -2  -25   16 o    2.878000      0.5142000       2.771000 0.7794000       2.984000      0.6709000     -0.2138000       1.028000
  1 1 1      -2  -25   17 o    2.107000      0.5478000       2.009000 0.7879000       2.206000      0.7611000     -0.1968000       1.096000
  1 1 1      -2  -25   18 o    2.620000      0.5512000       2.454000 0.8213000       2.787000      0.7354000     -0.3321000       1.102000
  1 1 1      -2  -25   19 o    5.188000      0.3637000       5.252000 0.5261000       5.124000      0.5022000      0.1279000      0.7273000
  1 1 1      -2  -25   20 o    1.942000      0.5733000       2.123000 0.8555000       1.761000      0.7634000      0.3622000       1.147000
  1 1 1      -2  -25   21 o    5.098000      0.6723000       5.917000 1.009000       4.278000      0.8890000       1.638000       1.345000
  1 1 1      -2  -25   22 o    2.872000      0.7514000       3.922000 1.241000       1.822000      0.8481000       2.100000       1.503000
  1 1 1      -2  -25   23 o    2.877000      0.7957000       2.856000 1.191000       2.899000       1.056000     -0.4345000E-01   1.591000
  1 1 1      -2  -25   24 o    5.759000      0.6094000       5.941000 0.9566000       5.577000      0.7553000      0.3640000       1.219000
  1 1 1      -2  -25   25 o    3.299000      0.6381000       2.921000 0.9253000       3.676000      0.8791000     -0.7542000       1.276000
  1 1 1      -2  -25   26 o    2.963000      0.6818000       2.729000 0.9683000       3.196000      0.9600000     -0.4673000       1.364000
  1 1 1      -2  -24    1 o    1.896000      0.5722000       2.057000 0.8297000       1.735000      0.7882000      0.3216000       1.144000
  1 1 1      -2  -24    2 o    3.376000      0.6011000       2.848000 0.8898000       3.905000      0.8084000      -1.058000       1.202000
  1 1 1      -2  -24    3 o    6.133000      0.3439000       6.410000 0.4655000       5.856000      0.5065000      0.5541000      0.6879000
  1 1 1      -2  -24    4 o    2.937000      0.5128000       3.059000 0.7251000       2.814000      0.7254000      0.2452000       1.026000
  1 1 1      -2  -24    5 f    6.110000      0.2973000       6.432000 0.4152000       5.789000      0.4257000      0.6431000      0.5946000
  1 1 1      -2  -24    6 o    5.545000      0.3199000       5.700000 0.4714000       5.389000      0.4325000      0.3114000      0.6398000
  1 1 1      -2  -24    7 o    5.701000      0.3219000       5.614000 0.5070000       5.789000      0.3968000     -0.1744000      0.6438000
  1 1 1      -2  -24    8 o    3.407000      0.5012000       2.920000 0.8594000       3.894000      0.5158000     -0.9746000       1.002000
  1 1 1      -2  -24    9 o    4.731000      0.3645000       4.809000 0.5887000       4.654000      0.4298000      0.1542000      0.7289000
  1 1 1      -2  -24   10 o    1.968000      0.8025000       1.968000 0.8025000                  ?              ?              ?              ?
  1 1 1      -2  -24   11 o    5.522000      0.3060000       5.114000 0.5027000       5.930000      0.3492000     -0.8155000      0.6120000
  1 1 1      -2  -24   12 o    2.420000      0.7001000                  ?       ?   2.420000      0.7001000                  ?              ?
  1 1 1      -2  -24   13 o    2.115000      0.5402000       2.294000 0.8166000       1.935000      0.7075000      0.3588000       1.080000
  1 1 1      -2  -24   14 o    9.008000      0.2685000       8.997000 0.4433000       9.019000      0.3032000     -0.2218000E-01  0.5371000
  1 1 1      -2  -24   15 o    3.253000      0.4567000       2.873000 0.7292000       3.633000      0.5501000     -0.7607000      0.9134000
  1 1 1      -2  -24   16 o    1.481000      0.4663000       1.570000 0.6877000       1.392000      0.6298000      0.1783000      0.9325000
  1 1 1      -2  -24   17 o    3.961000      0.3983000       4.214000 0.5544000       3.708000      0.5720000      0.5057000      0.7965000
  1 1 1      -2  -24   18 o    2.308000      0.4979000       3.116000 0.7407000       1.499000      0.6656000       1.617000      0.9958000
  1 1 1      -2  -24   19 o    1.937000      0.5361000       2.354000 0.7883000       1.520000      0.7267000      0.8342000       1.072000
  1 1 1      -2  -24   20 o    2.722000      0.5571000       2.399000 0.7957000       3.044000      0.7799000     -0.6450000       1.114000
  1 1 1      -2  -24   21 o    4.938000      0.3849000       4.857000 0.5514000       5.020000      0.5372000     -0.1636000      0.7698000
  1 1 1      -2  -24   22 o    4.879000      0.3954000       5.219000 0.5066000       4.538000      0.6071000      0.6805000      0.7907000
  1 1 1      -2  -24   23 o    2.149000      0.5843000       2.198000 0.8126000       2.101000      0.8399000      0.9702000E-01   1.169000
  1 1 1      -2  -24   24 f    2.760000      0.6048000       3.515000 0.8697000       2.005000      0.8406000       1.509000       1.210000
  1 1 1      -2  -24   25 o    2.669000      0.6889000       2.600000 1.091000       2.738000      0.8408000     -0.1384000       1.378000
  1 1 1      -2  -24   26 o    2.732000      0.7368000       3.363000 1.143000       2.101000      0.9301000       1.262000       1.474000
  1 1 1      -2  -24   27 o    3.258000      0.8231000       3.472000 1.250000       3.043000       1.071000      0.4297000       1.646000
  1 1 1      -2  -23    1 o    3.310000      0.5463000       4.329000 0.6156000       2.292000      0.9027000       2.037000       1.093000
  1 1 1      -2  -23    2 o    7.028000      0.3362000       7.271000 0.4463000       6.786000      0.5029000      0.4850000      0.6724000
  1 1 1      -2  -23    3 o    6.037000      0.3337000       6.543000 0.4434000       5.531000      0.4988000       1.012000      0.6674000
  1 1 1      -2  -23    4 o    5.705000      0.2961000       5.712000 0.4431000       5.698000      0.3927000      0.1406000E-01  0.5921000
  1 1 1      -2  -23    5 o    5.637000      0.2988000       5.283000 0.4620000       5.990000      0.3791000     -0.7074000      0.5976000
  1 1 1      -2  -23    6 o    8.486000      0.2489000       8.718000 0.3784000       8.254000      0.3234000      0.4637000      0.4977000
  1 1 1      -2  -23    7 o    2.037000      0.5300000       2.047000 0.8046000       2.027000      0.6903000      0.2004000E-01   1.060000
  1 1 1      -2  -23    8 o    3.686000      0.4542000       3.102000 0.8097000       4.269000      0.4120000      -1.167000      0.9085000
  1 1 1      -2  -23    9 o    2.068000      0.5154000       2.360000 0.7926000       1.776000      0.6590000      0.5848000       1.031000
  1 1 1      -2  -23   10 o    4.443000      0.3364000       4.304000 0.5547000       4.581000      0.3806000     -0.2770000      0.6727000
  1 1 1      -2  -23   11 o    6.162000      0.2553000       6.038000 0.4023000       6.286000      0.3143000     -0.2488000      0.5106000
  1 1 1      -2  -23   12 o    4.623000      0.3028000       4.693000 0.4583000       4.553000      0.3959000      0.1397000      0.6056000
  1 1 1      -2  -23   13 o    5.019000      0.2791000       5.339000 0.4159000       4.698000      0.3722000      0.6408000      0.5581000
  1 1 1      -2  -23   14 o    6.198000      0.2315000       6.149000 0.3497000       6.246000      0.3035000     -0.9679000E-01  0.4630000
  1 1 1      -2  -23   15 o    1.892000      0.4881000       1.906000 0.6936000       1.878000      0.6870000      0.2759000E-01  0.9763000
  1 1 1      -2  -23   16 o    2.991000      0.4547000       2.814000 0.6756000       3.169000      0.6088000     -0.3554000      0.9094000
  1 1 1      -2  -23   17 o    3.665000      0.4091000       3.726000 0.5718000       3.605000      0.5852000      0.1209000      0.8182000
  1 1 1      -2  -23   18 o    2.111000      0.4973000       1.541000 0.6757000       2.680000      0.7298000      -1.139000      0.9945000
  1 1 1      -2  -23   19 o    2.168000      0.5362000       2.364000 0.7624000       1.972000      0.7540000      0.3913000       1.072000
  1 1 1      -2  -23   20 o    7.238000      0.2623000       7.317000 0.3705000       7.158000      0.3714000      0.1593000      0.5246000
  1 1 1      -2  -23   21 o    2.274000      0.5206000       1.806000 0.7228000       2.743000      0.7493000     -0.9367000       1.041000
  1 1 1      -2  -23   22 o    7.006000      0.2797000       7.077000 0.3939000       6.935000      0.3973000      0.1426000      0.5595000
  1 1 1      -2  -23   23 o    4.313000      0.4262000       3.997000 0.6384000       4.629000      0.5648000     -0.6314000      0.8524000
  1 1 1      -2  -23   24 o    1.730000      0.5233000       1.289000 0.6251000       2.171000      0.8394000     -0.8818000       1.047000
  1 1 1      -2  -23   25 o    6.299000      0.3614000       5.916000 0.5404000       6.682000      0.4800000     -0.7660000      0.7228000
  1 1 1      -2  -23   26 o    4.158000      0.5256000       4.422000 0.6776000       3.893000      0.8037000      0.5285000       1.051000
  1 1 1      -2  -23   27 o    3.479000      0.5934000       2.813000 0.8863000       4.144000      0.7893000      -1.332000       1.187000
  1 1 1      -2  -23   28 o    2.294000      0.6130000       1.930000 0.8258000       2.659000      0.9061000     -0.7295000       1.226000
  1 1 1      -2  -22    1 o    2.248000      0.5768000       1.701000 0.7367000       2.795000      0.8877000      -1.094000       1.154000
  1 1 1      -2  -22    2 o    4.918000      0.3970000       4.608000 0.5533000       5.229000      0.5693000     -0.6208000      0.7939000
  1 1 1      -2  -22    3 o    2.312000      0.5518000       2.691000 0.7916000       1.933000      0.7691000      0.7588000       1.104000
  1 1 1      -2  -22    4 o    2.840000      0.5026000       2.765000 0.7332000       2.915000      0.6878000     -0.1497000       1.005000
  1 1 1      -2  -22    5 o    5.846000      0.2647000       6.236000 0.3892000       5.456000      0.3590000      0.7801000      0.5295000
  1 1 1      -2  -22    6 o    8.120000      0.2365000       8.355000 0.3536000       7.885000      0.3143000      0.4699000      0.4731000
  1 1 1      -2  -22    7 o    7.999000      0.2327000       8.021000 0.3590000       7.977000      0.2963000      0.4427000E-01  0.4655000
  1 1 1      -2  -22    8 o    8.602000      0.2257000       8.215000 0.3548000       8.989000      0.2790000     -0.7742000      0.4514000
  1 1 1      -2  -22    9 o    2.554000      0.4593000       3.086000 0.6628000       2.023000      0.6359000       1.063000      0.9185000
  1 1 1      -2  -22   10 o    4.131000      0.3259000       4.379000 0.4995000       3.882000      0.4188000      0.4971000      0.6518000
  1 1 1      -2  -22   11 o    6.324000      0.2296000       6.388000 0.3479000       6.260000      0.2996000      0.1289000      0.4591000
  1 1 1      -2  -22   12 o    6.065000      0.2335000       5.986000 0.3622000       6.144000      0.2949000     -0.1576000      0.4671000
  1 1 1      -2  -22   13 o    7.663000      0.2067000       7.596000 0.3091000       7.730000      0.2745000     -0.1337000      0.4134000
  1 1 1      -2  -22   14 o    2.518000      0.4442000       2.791000 0.6234000       2.246000      0.6331000      0.5447000      0.8885000
  1 1 1      -2  -22   15 o    4.595000      0.2832000       4.360000 0.4383000       4.830000      0.3586000     -0.4702000      0.5663000
  1 1 1      -2  -22   16 o    7.200000      0.2170000       7.413000 0.3167000       6.988000      0.2969000      0.4244000      0.4341000
  1 1 1      -2  -22   17 o    6.973000      0.2236000       6.608000 0.3211000       7.338000      0.3111000     -0.7296000      0.4471000
  1 1 1      -2  -22   18 o    2.876000      0.4269000       2.649000 0.6276000       3.104000      0.5788000     -0.4544000      0.8538000
  1 1 1      -2  -22   19 o    4.967000      0.2870000       5.086000 0.3975000       4.847000      0.4142000      0.2381000      0.5740000
  1 1 1      -2  -22   20 o    5.327000      0.2820000       5.183000 0.4041000       5.471000      0.3935000     -0.2881000      0.5640000
  1 1 1      -2  -22   21 o    2.420000      0.5221000       2.386000 0.7251000       2.454000      0.7514000     -0.6807000E-01   1.044000
  1 1 1      -2  -22   22 o    2.663000      0.5093000       2.721000 0.6710000       2.606000      0.7662000      0.1155000       1.019000
  1 1 1      -2  -22   23 o    2.165000      0.5166000       2.602000 0.7329000       1.727000      0.7284000      0.8755000       1.033000
  1 1 1      -2  -22   24 o    2.848000      0.5494000       3.120000 0.7318000       2.576000      0.8197000      0.5447000       1.099000
  1 1 1      -2  -22   25 o    2.721000      0.6020000       2.862000 0.8488000       2.580000      0.8540000      0.2821000       1.204000
  1 1 1      -2  -22   26 o    2.444000      0.6200000       2.448000 0.8914000       2.440000      0.8621000      0.8869000E-02   1.240000
  1 1 1      -2  -22   27 o    2.936000      0.6210000       2.509000 0.8856000       3.362000      0.8709000     -0.8526000       1.242000
  1 1 1      -2  -22   28 o    3.995000      0.5586000       4.226000 0.7174000       3.764000      0.8564000      0.4621000       1.117000
  1 1 1      -2  -22   29 o    4.763000      0.4738000       4.621000 0.6769000       4.905000      0.6630000     -0.2835000      0.9475000
  1 1 1      -2  -21    1 o    1.947000      0.5324000       1.467000 0.6553000       2.427000      0.8393000     -0.9599000       1.065000
  1 1 1      -2  -21    2 o    4.517000      0.3652000       4.184000 0.5195000       4.850000      0.5133000     -0.6667000      0.7303000
  1 1 1      -2  -21    3 o    1.316000      0.4166000       1.499000 0.6354000       1.134000      0.5390000      0.3652000      0.8332000
  1 1 1      -2  -21    4 o    3.742000      0.3274000       3.732000 0.4882000       3.751000      0.4365000     -0.1915000E-01  0.6549000
  1 1 1      -2  -21    5 o    4.941000      0.2691000       4.568000 0.4157000       5.314000      0.3419000     -0.7465000      0.5382000
  1 1 1      -2  -21    6 o    2.919000      0.4150000       2.057000 0.7107000       3.780000      0.4288000      -1.722000      0.8301000
  1 1 1      -2  -21    7 o    12.10000      0.2254000       12.02000 0.3376000       12.18000      0.2988000     -0.1527000      0.4508000
  1 1 1      -2  -21    8 o    5.694000      0.2245000       5.649000 0.3482000       5.738000      0.2837000     -0.8933000E-01  0.4491000
  1 1 1      -2  -21    9 o    4.519000      0.2798000       4.303000 0.4563000       4.736000      0.3240000     -0.4336000      0.5596000
  1 1 1      -2  -21   10 o    6.195000      0.2198000       6.217000 0.3424000       6.174000      0.2758000      0.4329000E-01  0.4397000
  1 1 1      -2  -21   11 o    7.102000      0.3109000       7.102000 0.3109000                  ?              ?              ?              ?
  1 1 1      -2  -21   12 o    9.807000      0.1930000       9.617000 0.2833000       9.997000      0.2621000     -0.3801000      0.3859000
  1 1 1      -2  -21   13 o    7.792000      0.2142000       7.563000 0.3323000       8.021000      0.2705000     -0.4584000      0.4284000
  1 1 1      -2  -21   14 o    2.381000      0.4273000       2.838000 0.5650000       1.924000      0.6411000      0.9139000      0.8545000
  1 1 1      -2  -21   15 o    1.196000      0.3861000       1.055000 0.5050000       1.336000      0.5842000     -0.2807000      0.7722000
  1 1 1      -2  -21   16 o    6.204000      0.2189000       6.421000 0.3106000       5.988000      0.3084000      0.4329000      0.4377000
  1 1 1      -2  -21   17 o    5.413000      0.2469000       5.565000 0.3421000       5.261000      0.3562000      0.3039000      0.4938000
  1 1 1      -2  -21   18 o    4.295000      0.2837000       4.337000 0.3983000       4.253000      0.4042000      0.8389000E-01  0.5675000
  1 1 1      -2  -21   19 o    5.308000      0.2717000       5.178000 0.3854000       5.439000      0.3831000     -0.2610000      0.5435000
  1 1 1      -2  -21   20 o    2.126000      0.4877000       1.573000 0.6558000       2.680000      0.7219000      -1.107000      0.9753000
  1 1 1      -2  -21   21 o    6.197000      0.2661000       5.420000 0.3934000       6.973000      0.3584000      -1.553000      0.5322000
  1 1 1      -2  -21   22 o    6.081000      0.2799000       6.195000 0.3787000       5.967000      0.4123000      0.2284000      0.5599000
  1 1 1      -2  -21   23 o    5.881000      0.2779000       5.933000 0.3661000       5.830000      0.4183000      0.1031000      0.5559000
  1 1 1      -2  -21   24 o    1.335000      0.4446000       1.247000 0.5990000       1.424000      0.6572000     -0.1771000      0.8892000
  1 1 1      -2  -21   25 o    3.548000      0.5059000       2.802000 0.7830000       4.293000      0.6408000      -1.491000       1.012000
  1 1 1      -2  -21   26 o    5.014000      0.3955000       5.002000 0.5429000       5.027000      0.5752000     -0.2470000E-01  0.7910000
  1 1 1      -2  -21   27 o    2.344000      0.6128000       2.647000 0.8804000       2.042000      0.8528000      0.6051000       1.226000
  1 1 1      -2  -21   28 o    5.033000      0.4314000       5.169000 0.5686000       4.898000      0.6491000      0.2710000      0.8629000
  1 1 1      -2  -21   29 o    5.176000      0.4402000       5.071000 0.6473000       5.282000      0.5967000     -0.2104000      0.8803000
  1 1 1      -2  -21   30 o    2.183000      0.6240000       2.020000 0.8459000       2.347000      0.9175000     -0.3275000       1.248000
  1 1 1      -2  -20    1 o    3.117000      0.5109000       3.199000 0.6424000       3.035000      0.7946000      0.1638000       1.022000
  1 1 1      -2  -20    2 o    6.956000      0.2736000       6.926000 0.3693000       6.986000      0.4037000     -0.6035000E-01  0.5471000
  1 1 1      -2  -20    3 o    3.971000      0.3479000       4.073000 0.4837000       3.869000      0.5000000      0.2034000      0.6957000
  1 1 1      -2  -20    4 o    4.916000      0.2618000       5.118000 0.3721000       4.715000      0.3684000      0.4034000      0.5236000
  1 1 1      -2  -20    5 o    6.514000      0.2174000       6.174000 0.3229000       6.853000      0.2913000     -0.6788000      0.4349000
  1 1 1      -2  -20    6 o    1.359000      0.4172000       1.246000 0.5812000       1.473000      0.5987000     -0.2263000      0.8344000
  1 1 1      -2  -20    7 o    3.635000      0.2992000       3.388000 0.4940000       3.882000      0.3377000     -0.4935000      0.5984000
  1 1 1      -2  -20    8 o    4.278000      0.2760000       3.945000 0.4597000       4.612000      0.3057000     -0.6664000      0.5520000
  1 1 1      -2  -20    9 o    2.685000      0.3892000       2.601000 0.6368000       2.769000      0.4476000     -0.1679000      0.7783000
  1 1 1      -2  -20   10 o    4.564000      0.2453000       4.333000 0.3883000       4.794000      0.2999000     -0.4614000      0.4906000
  1 1 1      -2  -20   11 o    5.444000      0.2908000       5.444000 0.2908000                  ?              ?              ?              ?
  1 1 1      -2  -20   12 o    3.931000      0.2774000       3.823000 0.4279000       4.039000      0.3531000     -0.2161000      0.5548000
  1 1 1      -2  -20   13 o    4.827000      0.3284000                  ?       ?   4.827000      0.3284000                  ?              ?
  1 1 1      -2  -20   14 o    1.474000      0.4208000       1.617000 0.6170000       1.330000      0.5723000      0.2874000      0.8416000
  1 1 1      -2  -20   15 o    6.710000      0.2083000       6.922000 0.2995000       6.498000      0.2897000      0.4238000      0.4167000
  1 1 1      -2  -20   16 o    6.836000      0.2071000       6.897000 0.2937000       6.775000      0.2920000      0.1216000      0.4142000
  1 1 1      -2  -20   17 o    3.168000      0.3511000       3.182000 0.4859000       3.153000      0.5070000      0.2894000E-01  0.7022000
  1 1 1      -2  -20   18 o    5.136000      0.2692000       4.880000 0.3899000       5.392000      0.3714000     -0.5126000      0.5385000
  1 1 1      -2  -20   19 f    4.081000      0.3178000       4.051000 0.4303000       4.110000      0.4678000     -0.5922000E-01  0.6356000
  1 1 1      -2  -20   20 o    3.907000      0.3383000       3.221000 0.5266000       4.593000      0.4247000      -1.371000      0.6765000
  1 1 1      -2  -20   21 o    8.104000      0.2298000       8.130000 0.3209000       8.077000      0.3292000      0.5373000E-01  0.4597000
  1 1 1      -2  -20   22 o    2.623000      0.4912000       3.119000 0.6101000       2.126000      0.7699000      0.9928000      0.9823000
  1 1 1      -2  -20   23 o    7.268000      0.2554000       7.138000 0.3543000       7.399000      0.3680000     -0.2606000      0.5108000
  1 1 1      -2  -20   24 o    5.468000      0.3199000       4.782000 0.4595000       6.155000      0.4452000      -1.373000      0.6398000
  1 1 1      -2  -20   25 o    2.561000      0.5622000       2.216000 0.7932000       2.905000      0.7969000     -0.6886000       1.124000
  1 1 1      -2  -20   26 o    2.746000      0.5653000       2.161000 0.8262000       3.331000      0.7718000      -1.169000       1.131000
  1 1 1      -2  -20   27 o    1.579000      0.5081000       1.524000 0.6931000       1.634000      0.7433000     -0.1107000       1.016000
  1 1 1      -2  -20   28 o    1.987000      0.5700000       2.312000 0.8540000       1.662000      0.7551000      0.6502000       1.140000
  1 1 1      -2  -20   29 o    2.460000      0.5460000       1.488000 0.6973000       3.432000      0.8405000      -1.944000       1.092000
  1 1 1      -2  -20   30 o    2.562000      0.6342000       2.755000 0.8992000       2.369000      0.8947000      0.3867000       1.268000
  1 1 1      -2  -20   31 o    2.685000      0.6216000       3.145000 0.8629000       2.226000      0.8948000      0.9189000       1.243000
  1 1 1      -2  -19    1 o    7.108000      0.2716000       7.189000 0.3653000       7.027000      0.4021000      0.1624000      0.5432000
  1 1 1      -2  -19    2 o    1.709000      0.4947000       1.797000 0.6952000       1.621000      0.7040000      0.1762000      0.9894000
  1 1 1      -2  -19    3 o    1.541000      0.4131000       1.087000 0.5171000       1.996000      0.6443000     -0.9098000      0.8261000
  1 1 1      -2  -19    4 o    2.181000      0.4160000       1.954000 0.6350000       2.408000      0.5375000     -0.4537000      0.8320000
  1 1 1      -2  -19    5 o    3.910000      0.2588000       4.107000 0.3770000       3.713000      0.3546000      0.3941000      0.5176000
  1 1 1      -2  -19    6 o   0.9642000      0.3285000       1.061000 0.5041000      0.8674000      0.4213000      0.1935000      0.6569000
  1 1 1      -2  -19    7 o    5.520000      0.1956000       5.823000 0.2939000       5.217000      0.2583000      0.6061000      0.3913000
  1 1 1      -2  -19    8 o    4.400000      0.2046000       4.408000 0.3276000       4.392000      0.2452000      0.1622000E-01  0.4092000
  1 1 1      -2  -19    9 o    3.835000      0.3461000       4.035000 0.4555000       3.635000      0.5213000      0.4006000      0.6923000
  1 1 1      -2  -19   10 o    6.379000      0.2319000       6.549000 0.3166000       6.209000      0.3391000      0.3398000      0.4639000
  1 1 1      -2  -19   11 o    9.628000      0.2427000       9.941000 0.3519000       9.315000      0.3343000      0.6251000      0.4854000
  1 1 1      -2  -19   12 o    6.660000      0.2449000       6.262000 0.3463000       7.058000      0.3465000     -0.7958000      0.4899000
  1 1 1      -2  -19   13 o    3.444000      0.3405000       2.902000 0.4788000       3.987000      0.4842000      -1.085000      0.6810000
  1 1 1      -2  -19   14 o    7.417000      0.2326000       7.308000 0.3138000       7.527000      0.3433000     -0.2191000      0.4651000
  1 1 1      -2  -19   15 o    8.402000      0.1991000       8.194000 0.2903000       8.611000      0.2725000     -0.4168000      0.3982000
  1 1 1      -2  -19   16 o    1.675000      0.4326000       1.493000 0.5943000       1.857000      0.6287000     -0.3636000      0.8652000
  1 1 1      -2  -19   17 o    9.544000      0.2058000       9.136000 0.2916000       9.952000      0.2903000     -0.8163000      0.4115000
  1 1 1      -2  -19   18 o    2.464000      0.4498000       2.760000 0.5772000       2.167000      0.6901000      0.5936000      0.8997000
  1 1 1      -2  -19   19 o    8.848000      0.2136000       8.806000 0.3010000       8.891000      0.3031000     -0.8419000E-01  0.4272000
  1 1 1      -2  -19   20 o    8.386000      0.2168000       8.130000 0.3054000       8.642000      0.3077000     -0.5121000      0.4335000
  1 1 1      -2  -19   21 o    7.059000      0.2400000       6.928000 0.3342000       7.189000      0.3446000     -0.2612000      0.4800000
  1 1 1      -2  -19   22 o    1.530000      0.4710000       1.483000 0.6484000       1.577000      0.6833000     -0.9463000E-01  0.9420000
  1 1 1      -2  -19   23 o    6.520000      0.2962000       7.035000 0.4036000       6.005000      0.4335000       1.031000      0.5923000
  1 1 1      -2  -19   24 o    3.095000      0.5072000       2.990000 0.6906000       3.200000      0.7431000     -0.2095000       1.014000
  1 1 1      -2  -19   25 o    3.621000      0.4949000       3.646000 0.6608000       3.596000      0.7370000      0.5062000E-01  0.9899000
  1 1 1      -2  -19   26 o    4.817000      0.3922000       4.686000 0.5353000       4.949000      0.5733000     -0.2632000      0.7843000
  1 1 1      -2  -19   27 o    5.933000      0.3574000       6.346000 0.4428000       5.520000      0.5611000      0.8251000      0.7148000
  1 1 1      -2  -19   28 o    4.179000      0.4700000       4.482000 0.5600000       3.876000      0.7550000      0.6068000      0.9400000
  1 1 1      -2  -19   29 o    2.511000      0.6251000       2.361000 0.8566000       2.662000      0.9107000     -0.3019000       1.250000
  1 1 1      -2  -19   30 o    2.132000      0.5960000       2.087000 0.8268000       2.178000      0.8585000     -0.9072000E-01   1.192000
  1 1 1      -2  -19   31 o    2.211000      0.5666000       2.915000 0.8797000       1.508000      0.7144000       1.407000       1.133000
  1 1 1      -2  -19   32 o    2.248000       1.002000       2.248000 1.002000                  ?              ?              ?              ?
  1 1 1      -2  -18    1 o    7.765000      0.2585000       7.953000 0.3345000       7.576000      0.3942000      0.3776000      0.5170000
  1 1 1      -2  -18    2 o    8.809000      0.2637000       9.027000 0.3438000       8.591000      0.4000000      0.4355000      0.5274000
  1 1 1      -2  -18    3 o    4.426000      0.2714000       4.087000 0.3940000       4.766000      0.3733000     -0.6784000      0.5428000
  1 1 1      -2  -18    4 o    2.652000      0.3856000       2.441000 0.5974000       2.862000      0.4876000     -0.4205000      0.7712000
  1 1 1      -2  -18    5 o    3.373000      0.3072000       3.091000 0.4814000       3.654000      0.3818000     -0.5636000      0.6144000
  1 1 1      -2  -18    6 f    3.634000      0.3269000       3.287000 0.5516000       3.981000      0.3509000     -0.6938000      0.6537000
  1 1 1      -2  -18    7 o    2.706000      0.4168000       2.933000 0.6093000       2.479000      0.5688000      0.4538000      0.8335000
  1 1 1      -2  -18    8 o    5.511000      0.2712000       5.955000 0.4035000       5.067000      0.3623000      0.8880000      0.5423000
  1 1 1      -2  -18    9 o    3.203000      0.3091000       3.360000 0.3384000       3.047000      0.5174000      0.3130000      0.6182000
  1 1 1      -2  -18   10 o    3.269000      0.2651000       3.067000 0.4228000       3.470000      0.3198000     -0.4037000      0.5301000
  1 1 1      -2  -18   11 o    4.747000      0.2049000       4.902000 0.2970000       4.592000      0.2822000      0.3108000      0.4097000
  1 1 1      -2  -18   12 o    6.423000      0.1846000       6.411000 0.2668000       6.435000      0.2551000     -0.2363000E-01  0.3691000
  1 1 1      -2  -18   13 o    3.135000      0.3054000       2.782000 0.4710000       3.489000      0.3891000     -0.7078000      0.6109000
  1 1 1      -2  -18   14 o    1.529000      0.4086000       1.300000 0.5462000       1.759000      0.6080000     -0.4584000      0.8173000
  1 1 1      -2  -18   15 o    3.991000      0.2549000       3.879000 0.3811000       4.102000      0.3385000     -0.2229000      0.5097000
  1 1 1      -2  -18   16 o    1.710000      0.4574000       1.978000 0.6404000       1.442000      0.6532000      0.5359000      0.9148000
  1 1 1      -2  -18   17 o    6.249000      0.2760000       6.095000 0.3453000       6.403000      0.4308000     -0.3083000      0.5521000
  1 1 1      -2  -18   18 o    5.390000      0.3167000       5.707000 0.3750000       5.072000      0.5104000      0.6345000      0.6334000
  1 1 1      -2  -18   19 o    1.996000      0.4853000       2.039000 0.6616000       1.952000      0.7102000      0.8771000E-01  0.9706000
  1 1 1      -2  -18   20 o    1.520000      0.4560000       1.689000 0.6734000       1.350000      0.6151000      0.3387000      0.9120000
  1 1 1      -2  -18   21 o    4.457000      0.3215000       4.277000 0.4562000       4.636000      0.4532000     -0.3589000      0.6431000
  1 1 1      -2  -18   22 o    9.839000      0.2267000       9.860000 0.3200000       9.818000      0.3212000      0.4143000E-01  0.4534000
  1 1 1      -2  -18   23 o    9.817000      0.2375000       9.479000 0.3356000       10.16000      0.3360000     -0.6771000      0.4749000
  1 1 1      -2  -18   24 o    3.594000      0.4548000       3.000000 0.7007000       4.188000      0.5799000      -1.188000      0.9095000
  1 1 1      -2  -18   25 o    1.950000      0.5346000       1.642000 0.6969000       2.258000      0.8110000     -0.6158000       1.069000
  1 1 1      -2  -18   26 o    6.973000      0.2928000       7.072000 0.3975000       6.875000      0.4299000      0.1969000      0.5855000
  1 1 1      -2  -18   27 o    6.182000      0.3264000       5.883000 0.4556000       6.481000      0.4677000     -0.5987000      0.6529000
  1 1 1      -2  -18   28 o    1.538000      0.4946000       1.526000 0.6833000       1.550000      0.7151000     -0.2305000E-01  0.9891000
  1 1 1      -2  -18   29 o    3.873000      0.5179000       3.881000 0.6709000       3.866000      0.7892000      0.1507000E-01   1.036000
  1 1 1      -2  -18   30 o    2.500000      0.5822000       2.984000 0.8080000       2.016000      0.8383000      0.9675000       1.164000
  1 1 1      -2  -18   31 o    1.969000      0.5834000       2.174000 0.8653000       1.764000      0.7827000      0.4102000       1.167000
  1 1 1      -2  -18   32 o    2.369000      0.5968000       2.796000 0.8573000       1.943000      0.8304000      0.8529000       1.194000
  1 1 1      -2  -17    1 o    4.355000      0.3462000       4.686000 0.3987000       4.023000      0.5662000      0.6634000      0.6925000
  1 1 1      -2  -17    2 o    3.196000      0.3728000       3.595000 0.4610000       2.797000      0.5859000      0.7985000      0.7455000
  1 1 1      -2  -17    3 o    7.656000      0.1974000       7.576000 0.2933000       7.737000      0.2643000     -0.1617000      0.3948000
  1 1 1      -2  -17    4 o    4.437000      0.2199000       4.278000 0.3266000       4.596000      0.2947000     -0.3180000      0.4399000
  1 1 1      -2  -17    5 o    2.858000      0.3023000       2.745000 0.4779000       2.971000      0.3705000     -0.2261000      0.6047000
  1 1 1      -2  -17    6 o    9.193000      0.1744000       9.358000 0.2588000       9.028000      0.2339000      0.3300000      0.3488000
  1 1 1      -2  -17    7 o    7.572000      0.1671000       7.683000 0.2466000       7.461000      0.2256000      0.2225000      0.3342000
  1 1 1      -2  -17    8 o    1.634000      0.3712000       1.590000 0.5459000       1.678000      0.5031000     -0.8742000E-01  0.7424000
  1 1 1      -2  -17    9 o    3.503000      0.2322000       3.663000 0.3343000       3.343000      0.3225000      0.3201000      0.4644000
  1 1 1      -2  -17   10 o    4.030000      0.2219000       3.895000 0.3330000       4.164000      0.2933000     -0.2690000      0.4438000
  1 1 1      -2  -17   11 o    3.160000      0.4974000       2.875000 0.8302000       3.445000      0.5480000     -0.5698000      0.9947000
  1 1 1      -2  -17   12 o    4.426000      0.4031000       4.442000 0.6838000       4.411000      0.4271000      0.3064000E-01  0.8062000
  1 1 1      -2  -17   13 o    5.825000      0.3677000       5.147000 0.6276000       6.504000      0.3835000      -1.358000      0.7354000
  1 1 1      -2  -17   14 o    3.781000      0.4960000       2.735000 0.8621000       4.828000      0.4909000      -2.093000      0.9920000
  1 1 1      -2  -17   15 o    1.789000      0.4454000       1.083000 0.4837000       2.494000      0.7480000      -1.411000      0.8908000
  1 1 1      -2  -17   16 o    4.427000      0.2655000       4.759000 0.3424000       4.096000      0.4059000      0.6632000      0.5310000
  1 1 1      -2  -17   17 f    5.575000      0.2297000       5.269000 0.3434000       5.882000      0.3051000     -0.6134000      0.4593000
  1 1 1      -2  -17   18 o    3.520000      0.3416000       3.322000 0.4884000       3.717000      0.4778000     -0.3951000      0.6833000
  1 1 1      -2  -17   19 o    5.613000      0.3144000       5.194000 0.3697000       6.031000      0.5086000     -0.8366000      0.6287000
  1 1 1      -2  -17   20 o    8.152000      0.2865000       8.018000 0.3670000       8.285000      0.4401000     -0.2675000      0.5730000
  1 1 1      -2  -17   21 o    4.647000      0.3997000       4.525000 0.4755000       4.770000      0.6425000     -0.2447000      0.7993000
  1 1 1      -2  -17   22 o    4.256000      0.3378000       4.267000 0.4523000       4.245000      0.5019000      0.2274000E-01  0.6756000
  1 1 1      -2  -17   23 f    9.418000      0.2317000       9.205000 0.3239000       9.631000      0.3313000     -0.4259000      0.4633000
  1 1 1      -2  -17   24 o    4.255000      0.3808000       4.091000 0.5180000       4.418000      0.5584000     -0.3267000      0.7616000
  1 1 1      -2  -17   25 o    2.549000      0.5434000       2.108000 0.7618000       2.990000      0.7751000     -0.8820000       1.087000
  1 1 1      -2  -17   26 o    7.225000      0.2763000       7.413000 0.3734000       7.038000      0.4073000      0.3755000      0.5526000
  1 1 1      -2  -17   27 o    1.500000      0.4815000       1.526000 0.6777000       1.475000      0.6842000      0.5044000E-01  0.9630000
  1 1 1      -2  -17   28 o    1.873000      0.5550000       1.742000 0.7393000       2.005000      0.8278000     -0.2628000       1.110000
  1 1 1      -2  -17   29 o    1.948000      0.5661000       1.682000 0.7410000       2.215000      0.8561000     -0.5330000       1.132000
  1 1 1      -2  -17   30 o    2.030000      0.5877000       1.924000 0.7979000       2.136000      0.8632000     -0.2117000       1.175000
  1 1 1      -2  -17   31 o    3.022000      0.5998000       3.326000 0.7856000       2.718000      0.9065000      0.6080000       1.200000
  1 1 1      -2  -17   32 o    6.518000      0.3527000       6.988000 0.4693000       6.049000      0.5265000      0.9394000      0.7053000
  1 1 1      -2  -17   33 o    2.339000      0.6153000       2.432000 0.8509000       2.246000      0.8890000      0.1865000       1.231000
  1 1 1      -2  -16    1 o    3.997000      0.3390000       3.756000 0.4407000       4.238000      0.5153000     -0.4822000      0.6781000
  1 1 1      -2  -16    2 o    3.925000      0.2801000       3.870000 0.4077000       3.980000      0.3841000     -0.1107000      0.5601000
  1 1 1      -2  -16    3 o    4.454000      0.2101000       4.482000 0.3048000       4.426000      0.2892000      0.5610000E-01  0.4201000
  1 1 1      -2  -16    4 o    8.009000      0.1746000       7.722000 0.2557000       8.297000      0.2377000     -0.5743000      0.3491000
  1 1 1      -2  -16    5 o    10.10000      0.1769000       9.980000 0.2586000       10.22000      0.2413000     -0.2395000      0.3537000
  1 1 1      -2  -16    6 o    15.67000      0.2293000       15.59000 0.3278000       15.76000      0.3209000     -0.1640000      0.4587000
  1 1 1      -2  -16    7 o    5.974000      0.1602000       5.896000 0.2344000       6.052000      0.2186000     -0.1555000      0.3205000
  1 1 1      -2  -16    8 o    8.769000      0.1633000       8.903000 0.2388000       8.634000      0.2228000      0.2691000      0.3266000
  1 1 1      -2  -16    9 o    5.022000      0.1764000       5.174000 0.2543000       4.870000      0.2447000      0.3034000      0.3529000
  1 1 1      -2  -16   10 o    3.702000      0.2092000       3.705000 0.2969000       3.699000      0.2949000      0.5924000E-02  0.4185000
  1 1 1      -2  -16   11 o    5.980000      0.1785000       5.982000 0.2492000       5.978000      0.2558000      0.3396000E-02  0.3571000
  1 1 1      -2  -16   12 o    2.243000      0.5155000       2.243000 0.5155000                  ?              ?              ?              ?
  1 1 1      -2  -16   13 o    5.110000      0.1959000       5.245000 0.2749000       4.974000      0.2793000      0.2711000      0.3919000
  1 1 1      -2  -16   14 o    1.847000      0.5801000                  ?       ?   1.847000      0.5801000                  ?              ?
  1 1 1      -2  -16   15 o    3.440000      0.2967000       3.370000 0.4173000       3.509000      0.4220000     -0.1388000      0.5934000
  1 1 1      -2  -16   16 o    9.260000      0.3121000       9.703000 0.4861000       8.817000      0.3915000      0.8859000      0.6241000
  1 1 1      -2  -16   17 o    12.16000      0.3264000       12.31000 0.4896000       12.00000      0.4318000      0.3063000      0.6528000
  1 1 1      -2  -16   18 o    3.218000      0.6188000       3.390000 0.9492000       3.046000      0.7942000      0.3437000       1.238000
  1 1 1      -2  -16   19 o    7.120000      0.2252000       7.364000 0.3090000       6.876000      0.3276000      0.4879000      0.4503000
  1 1 1      -2  -16   20 o    3.020000      0.4131000       2.267000 0.6613000       3.772000      0.4953000      -1.504000      0.8262000
  1 1 1      -2  -16   21 o    5.827000      0.4034000       5.744000 0.7151000       5.910000      0.3735000     -0.1655000      0.8067000
  1 1 1      -2  -16   22 o    6.884000      0.3017000       6.696000 0.3768000       7.072000      0.4713000     -0.3762000      0.6035000
  1 1 1      -2  -16   23 o    3.442000      0.5176000       3.220000 0.6477000       3.663000      0.8076000     -0.4437000       1.035000
  1 1 1      -2  -16   24 o    3.742000      0.4237000       3.251000 0.6657000       4.234000      0.5242000     -0.9824000      0.8473000
  1 1 1      -2  -16   25 o    2.281000      0.5595000       2.041000 0.7602000       2.521000      0.8211000     -0.4796000       1.119000
  1 1 1      -2  -16   26 o    4.054000      0.4147000       4.232000 0.5194000       3.875000      0.6467000      0.3568000      0.8295000
  1 1 1      -2  -16   27 o    8.017000      0.2757000       8.305000 0.3677000       7.728000      0.4108000      0.5770000      0.5513000
  1 1 1      -2  -16   28 o    8.713000      0.2738000       8.491000 0.3784000       8.935000      0.3957000     -0.4440000      0.5475000
  1 1 1      -2  -16   29 o    2.604000      0.5390000       3.394000 0.7292000       1.813000      0.7939000       1.581000       1.078000
  1 1 1      -2  -16   30 o    1.733000      0.5439000       1.520000 0.6927000       1.946000      0.8386000     -0.4256000       1.088000
  1 1 1      -2  -16   31 o    1.644000      0.5301000       1.567000 0.7131000       1.721000      0.7845000     -0.1534000       1.060000
  1 1 1      -2  -16   32 o    2.552000      0.5743000       1.824000 0.7811000       3.279000      0.8422000      -1.455000       1.149000
  1 1 1      -2  -16   33 o    3.352000      0.5880000       3.263000 0.8352000       3.441000      0.8279000     -0.1782000       1.176000
  1 1 1      -2  -16   34 o    2.790000       1.081000       2.790000 1.081000                  ?              ?              ?              ?
  1 1 1      -2  -15    1 o    7.658000      0.2255000       8.081000 0.3156000       7.235000      0.3221000      0.8452000      0.4510000
  1 1 1      -2  -15    2 o    1.975000      0.4046000       2.465000 0.5411000       1.486000      0.6016000      0.9788000      0.8092000
  1 1 1      -2  -15    3 o    3.447000      0.2318000       3.614000 0.3184000       3.279000      0.3370000      0.3353000      0.4636000
  1 1 1      -2  -15    4 o    9.089000      0.1697000       8.879000 0.2486000       9.299000      0.2310000     -0.4201000      0.3393000
  1 1 1      -2  -15    5 o    9.868000      0.1708000       10.11000 0.2521000       9.629000      0.2305000      0.4782000      0.3416000
  1 1 1      -2  -15    6 o    6.236000      0.1539000       6.122000 0.2260000       6.350000      0.2090000     -0.2275000      0.3078000
  1 1 1      -2  -15    7 o    9.275000      0.1619000       9.190000 0.2326000       9.359000      0.2253000     -0.1691000      0.3238000
  1 1 1      -2  -15    8 o    8.773000      0.1594000       8.829000 0.2298000       8.717000      0.2211000      0.1116000      0.3188000
  1 1 1      -2  -15    9 o    9.348000      0.1676000       9.260000 0.2379000       9.436000      0.2360000     -0.1764000      0.3351000
  1 1 1      -2  -15   10 o    4.948000      0.1724000       4.912000 0.2447000       4.983000      0.2428000     -0.7128000E-01  0.3447000
  1 1 1      -2  -15   11 o    4.135000      0.2128000       4.271000 0.2876000       3.999000      0.3136000      0.2722000      0.4255000
  1 1 1      -2  -15   12 o    4.365000      0.2409000       4.733000 0.2851000       3.997000      0.3885000      0.7352000      0.4819000
  1 1 1      -2  -15   13 o    7.959000      0.1760000       7.946000 0.2480000       7.972000      0.2496000     -0.2597000E-01  0.3519000
  1 1 1      -2  -15   14 o    7.138000      0.2656000                  ?       ?   7.138000      0.2656000                  ?              ?
  1 1 1      -2  -15   15 o    6.329000      0.2026000       6.337000 0.2914000       6.321000      0.2816000      0.1614000E-01  0.4053000
  1 1 1      -2  -15   16 o    5.340000      0.2259000       4.951000 0.3329000       5.730000      0.3056000     -0.7786000      0.4519000
  1 1 1      -2  -15   17 o    4.360000      0.2627000       4.141000 0.3637000       4.579000      0.3791000     -0.4374000      0.5254000
  1 1 1      -2  -15   18 o    2.605000      0.4409000       3.028000 0.5268000       2.182000      0.7070000      0.8458000      0.8817000
  1 1 1      -2  -15   19 o    2.185000      0.6122000       2.388000 0.9192000       1.982000      0.8088000      0.4062000       1.224000
  1 1 1      -2  -15   20 o    2.502000      0.6257000       2.777000 0.9668000       2.227000      0.7944000      0.5501000       1.251000
  1 1 1      -2  -15   21 o    10.32000      0.2648000       10.49000 0.3021000       10.16000      0.4349000      0.3213000      0.5296000
  1 1 1      -2  -15   22 o    2.033000      0.5055000       1.768000 0.6832000       2.298000      0.7453000     -0.5295000       1.011000
  1 1 1      -2  -15   23 o    3.640000      0.4014000       2.972000 0.6300000       4.308000      0.4975000      -1.336000      0.8028000
  1 1 1      -2  -15   24 o    5.647000      0.3858000       5.572000 0.4416000       5.723000      0.6326000     -0.1509000      0.7715000
  1 1 1      -2  -15   25 o    2.784000      0.5999000       2.284000 0.7623000       3.283000      0.9266000     -0.9997000       1.200000
  1 1 1      -2  -15   26 o    2.958000      0.5389000       2.774000 0.7427000       3.142000      0.7812000     -0.3679000       1.078000
  1 1 1      -2  -15   27 o    8.506000      0.2634000       8.494000 0.3529000       8.519000      0.3911000     -0.2532000E-01  0.5268000
  1 1 1      -2  -15   28 o    2.044000      0.5621000       2.100000 0.7704000       1.988000      0.8187000      0.1122000       1.124000
  1 1 1      -2  -15   29 o    1.959000      0.5662000       1.782000 0.7478000       2.135000      0.8504000     -0.3534000       1.132000
  1 1 1      -2  -15   30 o    2.345000      0.5783000       2.799000 0.8150000       1.891000      0.8208000      0.9071000       1.157000
  1 1 1      -2  -15   31 o    3.212000      0.5921000       3.285000 0.7561000       3.139000      0.9114000      0.1457000       1.184000
  1 1 1      -2  -15   32 o    1.861000      0.5582000       1.905000 0.7801000       1.816000      0.7987000      0.8880000E-01   1.116000
  1 1 1      -2  -15   33 o    4.194000      0.4968000       4.292000 0.6613000       4.095000      0.7416000      0.1962000      0.9936000
  1 1 1      -2  -15   34 o    1.398000      0.4732000       1.398000 0.6654000       1.398000      0.6730000     -0.4056000E-03  0.9464000
  1 1 1      -2  -14    1 f    11.33000      0.2159000       11.19000 0.3182000       11.46000      0.2919000     -0.2677000      0.4318000
  1 1 1      -2  -14    2 o    15.44000      0.2423000       15.46000 0.3582000       15.42000      0.3264000      0.4130000E-01  0.4846000
  1 1 1      -2  -14    3 o    8.393000      0.1639000       7.969000 0.2357000       8.816000      0.2278000     -0.8472000      0.3278000
  1 1 1      -2  -14    4 o    10.50000      0.1730000       10.36000 0.2496000       10.64000      0.2398000     -0.2754000      0.3461000
  1 1 1      -2  -14    5 o    8.213000      0.1522000       8.241000 0.2236000       8.186000      0.2067000      0.5514000E-01  0.3044000
  1 1 1      -2  -14    6 o    5.160000      0.1454000       5.248000 0.2139000       5.072000      0.1969000      0.1766000      0.2908000
  1 1 1      -2  -14    7 o    9.249000      0.1594000       9.170000 0.2279000       9.329000      0.2228000     -0.1591000      0.3188000
  1 1 1      -2  -14    8 o    2.778000      0.2380000       2.697000 0.3386000       2.859000      0.3344000     -0.1622000      0.4759000
  1 1 1      -2  -14    9 o    9.588000      0.1691000       9.420000 0.2404000       9.755000      0.2377000     -0.3357000      0.3381000
  1 1 1      -2  -14   10 o    7.236000      0.1612000       7.437000 0.2290000       7.035000      0.2270000      0.4022000      0.3225000
  1 1 1      -2  -14   11 o    7.629000      0.1673000       7.535000 0.2339000       7.722000      0.2394000     -0.1870000      0.3347000
  1 1 1      -2  -14   12 o    2.074000      0.3624000       2.508000 0.4341000       1.640000      0.5805000      0.8673000      0.7248000
  1 1 1      -2  -14   13 o    9.928000      0.1836000       10.13000 0.2623000       9.726000      0.2569000      0.4037000      0.3671000
  1 1 1      -2  -14   14 o    4.817000      0.2198000       4.865000 0.3005000       4.768000      0.3207000      0.9686000E-01  0.4395000
  1 1 1      -2  -14   15 o    3.541000      0.2976000       3.862000 0.3902000       3.219000      0.4494000      0.6436000      0.5952000
  1 1 1      -2  -14   16 o    5.582000      0.2129000       5.551000 0.3031000       5.613000      0.2990000     -0.6133000E-01  0.4258000
  1 1 1      -2  -14   17 o    5.686000      0.2210000       5.593000 0.3142000       5.779000      0.3108000     -0.1856000      0.4419000
  1 1 1      -2  -14   18 o    2.200000      0.4281000       1.581000 0.6125000       2.820000      0.5983000      -1.239000      0.8562000
  1 1 1      -2  -14   19 o    10.55000      0.2096000       10.28000 0.2933000       10.82000      0.2995000     -0.5346000      0.4192000
  1 1 1      -2  -14   20 o    4.338000      0.2986000       4.130000 0.4258000       4.546000      0.4188000     -0.4162000      0.5973000
  1 1 1      -2  -14   21 o    6.107000      0.4137000       5.866000 0.6669000       6.347000      0.4897000     -0.4802000      0.8274000
  1 1 1      -2  -14   22 o    1.771000      0.5544000       1.896000 0.8310000       1.646000      0.7341000      0.2497000       1.109000
  1 1 1      -2  -14   23 o    3.589000      0.4810000       4.187000 0.3886000       2.991000      0.8801000       1.196000      0.9620000
  1 1 1      -2  -14   24 o    1.748000      0.4867000       1.874000 0.6871000       1.622000      0.6895000      0.2525000      0.9734000
  1 1 1      -2  -14   25 o    5.280000      0.3127000       5.471000 0.4074000       5.089000      0.4745000      0.3827000      0.6254000
  1 1 1      -2  -14   26 o    5.232000      0.4687000       5.836000 0.4733000       4.627000      0.8092000       1.208000      0.9374000
  1 1 1      -2  -14   27 o    5.683000      0.4319000       5.486000 0.5008000       5.879000      0.7037000     -0.3929000      0.8637000
  1 1 1      -2  -14   28 o    6.688000      0.3067000       6.794000 0.4020000       6.581000      0.4632000      0.2135000      0.6134000
  1 1 1      -2  -14   29 o    5.587000      0.3562000       5.681000 0.4749000       5.492000      0.5311000      0.1893000      0.7125000
  1 1 1      -2  -14   30 o    2.648000      0.5389000       3.486000 0.7279000       1.811000      0.7948000       1.674000       1.078000
  1 1 1      -2  -14   31 o    6.697000      0.3309000       6.786000 0.4334000       6.608000      0.5001000      0.1785000      0.6617000
  1 1 1      -2  -14   32 o    5.217000      0.4119000       4.888000 0.5843000       5.547000      0.5807000     -0.6595000      0.8239000
  1 1 1      -2  -14   33 o    3.624000      0.5464000       3.955000 0.7068000       3.293000      0.8334000      0.6626000       1.093000
  1 1 1      -2  -14   34 o    4.277000      0.4912000       4.412000 0.6788000       4.142000      0.7102000      0.2709000      0.9825000
  1 1 1      -2  -14   35 o    2.273000      0.6496000       2.252000 0.9665000       2.294000      0.8682000     -0.4264000E-01   1.299000
  1 1 1      -2  -13    1 o    14.10000      0.2342000       13.74000 0.3452000       14.46000      0.3166000     -0.7238000      0.4684000
  1 1 1      -2  -13    2 o    19.17000      0.2756000       19.11000 0.3972000       19.23000      0.3821000     -0.1196000      0.5511000
  1 1 1      -2  -13    3 o    2.854000      0.2185000       2.766000 0.3241000       2.943000      0.2931000     -0.1768000      0.4370000
  1 1 1      -2  -13    4 o    14.56000      0.2113000       14.79000 0.3054000       14.33000      0.2921000      0.4521000      0.4226000
  1 1 1      -2  -13    5 o    8.811000      0.1498000       8.708000 0.2145000       8.913000      0.2091000     -0.2054000      0.2996000
  1 1 1      -2  -13    6 o    6.606000      0.1442000       6.642000 0.2096000       6.569000      0.1982000      0.7304000E-01  0.2885000
  1 1 1      -2  -13    7 o    4.212000      0.1640000       4.169000 0.2323000       4.254000      0.2315000     -0.8484000E-01  0.3280000
  1 1 1      -2  -13    8 o    1.451000      0.3451000       1.222000 0.4824000       1.681000      0.4936000     -0.4584000      0.6901000
  1 1 1      -2  -13    9 o    8.503000      0.1613000       8.435000 0.2297000       8.571000      0.2264000     -0.1355000      0.3225000
  1 1 1      -2  -13   10 o    6.077000      0.1690000       5.857000 0.2417000       6.298000      0.2364000     -0.4408000      0.3381000
  1 1 1      -2  -13   11 o    3.088000      0.2614000       3.013000 0.3661000       3.163000      0.3734000     -0.1503000      0.5229000
  1 1 1      -2  -13   12 o    8.914000      0.1783000       8.915000 0.2535000       8.913000      0.2508000      0.1558000E-02  0.3566000
  1 1 1      -2  -13   13 o    8.423000      0.1782000       8.509000 0.2541000       8.337000      0.2498000      0.1720000      0.3563000
  1 1 1      -2  -13   14 o    4.569000      0.2236000       4.582000 0.3127000       4.557000      0.3197000      0.2471000E-01  0.4472000
  1 1 1      -2  -13   15 o    9.402000      0.1939000       9.640000 0.2792000       9.164000      0.2692000      0.4757000      0.3878000
  1 1 1      -2  -13   16 o    7.587000      0.1963000       7.495000 0.2803000       7.680000      0.2748000     -0.1847000      0.3925000
  1 1 1      -2  -13   17 o    10.11000      0.2014000       10.10000 0.2872000       10.12000      0.2824000     -0.1610000E-01  0.4028000
  1 1 1      -2  -13   18 o    9.952000      0.2023000       9.962000 0.2908000       9.941000      0.2814000      0.2047000E-01  0.4047000
  1 1 1      -2  -13   19 o    8.936000      0.2042000       8.985000 0.2861000       8.887000      0.2916000      0.9807000E-01  0.4085000
  1 1 1      -2  -13   20 o    4.433000      0.2868000       4.201000 0.4142000       4.665000      0.3968000     -0.4638000      0.5736000
  1 1 1      -2  -13   21 o    5.131000      0.2757000       5.011000 0.3814000       5.252000      0.3982000     -0.2415000      0.5513000
  1 1 1      -2  -13   22 o    2.485000      0.4839000       2.423000 0.6632000       2.548000      0.7047000     -0.1255000      0.9677000
  1 1 1      -2  -13   23 o    9.166000      0.3560000       8.530000 0.5484000       9.801000      0.4542000      -1.270000      0.7120000
  1 1 1      -2  -13   24 o    6.691000      0.4122000       6.711000 0.6598000       6.671000      0.4943000      0.4028000E-01  0.8244000
  1 1 1      -2  -13   25 o    4.372000      0.3571000       4.335000 0.4826000       4.408000      0.5265000     -0.7233000E-01  0.7142000
  1 1 1      -2  -13   26 o    8.995000      0.2447000       8.856000 0.3433000       9.135000      0.3489000     -0.2789000      0.4895000
  1 1 1      -2  -13   27 f    4.904000      0.5163000       5.388000 0.5289000       4.419000      0.8868000      0.9689000       1.033000
  1 1 1      -2  -13   28 o    4.763000      0.5313000       4.952000 0.5884000       4.574000      0.8848000      0.3779000       1.063000
  1 1 1      -2  -13   29 o    1.967000      0.5629000       1.674000 0.7306000       2.260000      0.8565000     -0.5857000       1.126000
  1 1 1      -2  -13   30 o    6.681000      0.3196000       6.254000 0.4494000       7.109000      0.4546000     -0.8547000      0.6392000
  1 1 1      -2  -13   31 o    5.823000      0.3725000       6.188000 0.4568000       5.457000      0.5884000      0.7317000      0.7449000
  1 1 1      -2  -13   32 o    3.735000      0.5472000       4.302000 0.6674000       3.168000      0.8674000       1.134000       1.094000
  1 1 1      -2  -13   33 f    3.078000      0.6057000       3.201000 0.8604000       2.956000      0.8526000      0.2448000       1.211000
  1 1 1      -2  -13   34 o    4.325000      0.4942000       4.299000 0.7015000       4.351000      0.6962000     -0.5191000E-01  0.9883000
  1 1 1      -2  -13   35 o    1.695000      0.5370000       1.462000 0.6906000       1.928000      0.8224000     -0.4656000       1.074000
  1 1 1      -2  -12    1 o    18.85000      0.2770000       19.00000 0.4052000       18.70000      0.3778000      0.2948000      0.5540000
  1 1 1      -2  -12    2 o    36.33000      0.6952000       35.96000 0.9781000       36.70000      0.9882000     -0.7429000       1.390000
  1 1 1      -2  -12    3 o    11.96000      0.1818000       12.09000 0.2630000       11.84000      0.2510000      0.2543000      0.3635000
  1 1 1      -2  -12    4 o    24.55000      0.3339000       24.56000 0.4730000       24.54000      0.4715000      0.1518000E-01  0.6679000
  1 1 1      -2  -12    5 o    16.30000      0.2297000       16.70000 0.3328000       15.90000      0.3166000      0.7928000      0.4593000
  1 1 1      -2  -12    6 o    8.445000      0.1482000       8.541000 0.2115000       8.350000      0.2076000      0.1912000      0.2963000
  1 1 1      -2  -12    7 o    25.47000      0.3478000       25.25000 0.4881000       25.70000      0.4956000     -0.4495000      0.6956000
  1 1 1      -2  -12    8 o    23.99000      0.3296000       24.37000 0.4731000       23.61000      0.4590000      0.7549000      0.6591000
  1 1 1      -2  -12    9 o    11.45000      0.1832000       11.51000 0.2611000       11.39000      0.2572000      0.1193000      0.3665000
  1 1 1      -2  -12   10 o    2.321000      0.3308000       2.544000 0.4100000       2.098000      0.5193000      0.4465000      0.6617000
  1 1 1      -2  -12   11 o    7.307000      0.1692000       7.103000 0.2348000       7.511000      0.2437000     -0.4084000      0.3384000
  1 1 1      -2  -12   12 o    3.849000      0.2288000       3.884000 0.3096000       3.814000      0.3370000      0.6936000E-01  0.4576000
  1 1 1      -2  -12   13 f    7.236000      0.2553000       7.236000 0.2553000                  ?              ?              ?              ?
  1 1 1      -2  -12   14 o    8.412000      0.1823000       8.453000 0.2591000       8.370000      0.2564000      0.8312000E-01  0.3645000
  1 1 1      -2  -12   15 o    7.095000      0.2673000                  ?       ?   7.095000      0.2673000                  ?              ?
  1 1 1      -2  -12   16 f    4.771000      0.2380000       4.841000 0.3297000       4.700000      0.3433000      0.1414000      0.4760000
  1 1 1      -2  -12   17 o    6.579000      0.2101000       6.603000 0.2969000       6.555000      0.2973000      0.4751000E-01  0.4202000
  1 1 1      -2  -12   18 o    7.632000      0.2028000       7.472000 0.2876000       7.791000      0.2859000     -0.3195000      0.4055000
  1 1 1      -2  -12   19 o    10.17000      0.2077000       10.11000 0.2920000       10.24000      0.2955000     -0.1325000      0.4155000
  1 1 1      -2  -12   20 o    1.824000      0.4738000       1.609000 0.6359000       2.038000      0.7026000     -0.4289000      0.9476000
  1 1 1      -2  -12   21 o    3.466000      0.3745000       2.925000 0.5746000       4.007000      0.4803000      -1.082000      0.7489000
  1 1 1      -2  -12   22 o    12.27000      0.2283000       12.30000 0.3232000       12.24000      0.3224000      0.5820000E-01  0.4565000
  1 1 1      -2  -12   23 o    13.82000      0.2398000       14.02000 0.3414000       13.62000      0.3368000      0.3974000      0.4795000
  1 1 1      -2  -12   24 o    3.340000      0.5766000       2.775000 1.012000       3.905000      0.5534000      -1.130000       1.153000
  1 1 1      -2  -12   25 o    4.367000      0.5949000       3.881000 1.001000       4.854000      0.6430000     -0.9727000       1.190000
  1 1 1      -2  -12   26 o    7.392000      0.3167000       7.611000 0.3461000       7.173000      0.5304000      0.4373000      0.6333000
  1 1 1      -2  -12   27 o    1.996000      0.5519000       2.103000 0.7796000       1.889000      0.7813000      0.2145000       1.104000
  1 1 1      -2  -12   28 o    3.411000      0.5043000       3.512000 0.6769000       3.310000      0.7477000      0.2016000       1.009000
  1 1 1      -2  -12   29 o    3.722000      0.6197000       4.405000 0.6946000       3.038000       1.026000       1.367000       1.239000
  1 1 1      -2  -12   30 o    2.488000      0.6060000       2.423000 0.8194000       2.554000      0.8931000     -0.1310000       1.212000
  1 1 1      -2  -12   31 o    9.710000      0.2823000       9.456000 0.3986000       9.964000      0.3999000     -0.5078000      0.5646000
  1 1 1      -2  -12   32 o    4.225000      0.5179000       3.911000 0.7651000       4.539000      0.6983000     -0.6287000       1.036000
  1 1 1      -2  -12   33 o    4.197000      0.5926000       3.088000 0.8580000       5.307000      0.8176000      -2.219000       1.185000
  1 1 1      -2  -12   34 o    1.968000      0.5858000       2.007000 0.8309000       1.929000      0.8259000      0.7766000E-01   1.172000
  1 1 1      -2  -12   35 o    2.988000      0.6188000       2.663000 0.8771000       3.313000      0.8733000     -0.6503000       1.238000
  1 1 1      -2  -11    1 o    10.73000      0.1803000       10.72000 0.2654000       10.74000      0.2441000     -0.1524000E-01  0.3606000
  1 1 1      -2  -11    2 o    18.42000      0.2571000       18.11000 0.3600000       18.73000      0.3672000     -0.6175000      0.5143000
  1 1 1      -2  -11    3 o    32.49000      0.4374000       32.26000 0.6148000       32.73000      0.6224000     -0.4704000      0.8749000
  1 1 1      -2  -11    4 o    10.46000      0.1608000       10.38000 0.2275000       10.55000      0.2272000     -0.1674000      0.3215000
  1 1 1      -2  -11    5 o    9.606000      0.1549000       9.439000 0.2184000       9.773000      0.2196000     -0.3341000      0.3097000
  1 1 1      -2  -11    6 o    9.174000      0.1548000       9.201000 0.2206000       9.148000      0.2172000      0.5305000E-01  0.3096000
  1 1 1      -2  -11    7 o    18.65000      0.2614000       18.68000 0.3705000       18.62000      0.3688000      0.6323000E-01  0.5228000
  1 1 1      -2  -11    8 o    8.810000      0.1609000       8.877000 0.2279000       8.743000      0.2273000      0.1337000      0.3219000
  1 1 1      -2  -11    9 o    7.213000      0.1608000       7.090000 0.2292000       7.335000      0.2257000     -0.2456000      0.3217000
  1 1 1      -2  -11   10 f    13.43000      0.2056000       13.52000 0.2927000       13.34000      0.2889000      0.1733000      0.4113000
  1 1 1      -2  -11   11 o    10.83000      0.1839000       10.69000 0.2594000       10.97000      0.2607000     -0.2782000      0.3678000
  1 1 1      -2  -11   12 o    5.937000      0.1820000       5.865000 0.2574000       6.009000      0.2572000     -0.1446000      0.3639000
  1 1 1      -2  -11   13 o    6.841000      0.2472000       6.841000 0.2472000                  ?              ?              ?              ?
  1 1 1      -2  -11   14 o    5.670000      0.1973000       5.456000 0.2807000       5.883000      0.2774000     -0.4275000      0.3947000
  1 1 1      -2  -11   15 o    4.222000      0.3543000                  ?       ?   4.222000      0.3543000                  ?              ?
  1 1 1      -2  -11   16 o    8.335000      0.1891000       8.435000 0.2667000       8.235000      0.2683000      0.2001000      0.3783000
  1 1 1      -2  -11   17 o    5.333000      0.2273000       5.707000 0.3108000       4.959000      0.3318000      0.7483000      0.4546000
  1 1 1      -2  -11   18 o    16.14000      0.2497000       16.07000 0.3532000       16.22000      0.3531000     -0.1522000      0.4994000
  1 1 1      -2  -11   19 o    6.366000      0.2265000       6.766000 0.2942000       5.965000      0.3445000      0.8007000      0.4530000
  1 1 1      -2  -11   20 o    3.991000      0.3177000       4.023000 0.4238000       3.958000      0.4734000      0.6514000E-01  0.6354000
  1 1 1      -2  -11   21 o    6.129000      0.2360000       5.998000 0.3251000       6.260000      0.3423000     -0.2622000      0.4721000
  1 1 1      -2  -11   22 o    12.09000      0.2263000       12.15000 0.3211000       12.03000      0.3189000      0.1232000      0.4526000
  1 1 1      -2  -11   23 o    7.883000      0.2298000       8.012000 0.3166000       7.753000      0.3333000      0.2588000      0.4597000
  1 1 1      -2  -11   24 o    1.911000      0.5065000       1.775000 0.6965000       2.047000      0.7355000     -0.2727000       1.013000
  1 1 1      -2  -11   25 o    6.571000      0.2679000       6.758000 0.3667000       6.383000      0.3906000      0.3753000      0.5358000
  1 1 1      -2  -11   26 o    9.347000      0.3692000       9.350000 0.5587000       9.343000      0.4829000      0.7545000E-02  0.7384000
  1 1 1      -2  -11   27 o    4.323000      0.6227000       3.212000 1.065000       5.433000      0.6461000      -2.222000       1.245000
  1 1 1      -2  -11   28 o    11.53000      0.2524000       11.48000 0.3578000       11.58000      0.3560000     -0.9592000E-01  0.5048000
  1 1 1      -2  -11   29 o    3.707000      0.4887000       3.333000 0.7646000       4.081000      0.6090000     -0.7481000      0.9775000
  1 1 1      -2  -11   30 o    5.012000      0.5651000       5.036000 0.6491000       4.989000      0.9251000      0.4694000E-01   1.130000
  1 1 1      -2  -11   31 o    7.656000      0.3185000       7.676000 0.4246000       7.637000      0.4749000      0.3971000E-01  0.6370000
  1 1 1      -2  -11   32 o    2.648000      0.6127000       2.156000 0.8427000       3.140000      0.8897000     -0.9846000       1.225000
  1 1 1      -2  -11   33 o    1.925000      0.5727000       2.117000 0.8449000       1.734000      0.7733000      0.3826000       1.145000
  1 1 1      -2  -11   34 o    2.211000      0.6036000       1.856000 0.8038000       2.565000      0.9007000     -0.7089000       1.207000
  1 1 1      -2  -11   35 o    3.180000      0.5986000       3.266000 0.7928000       3.094000      0.8972000      0.1710000       1.197000
  1 1 1      -2  -11   36 o    1.769000      0.5623000       1.609000 0.7845000       1.929000      0.8059000     -0.3199000       1.125000
  1 1 1      -2  -10    1 o    11.57000      0.2130000       11.90000 0.2573000       11.24000      0.3395000      0.6586000      0.4260000
  1 1 1      -2  -10    2 o    29.17000      0.3940000       28.40000 0.5434000       29.94000      0.5707000      -1.545000      0.7880000
  1 1 1      -2  -10    3 o    24.72000      0.3349000       25.55000 0.4887000       23.88000      0.4580000       1.668000      0.6698000
  1 1 1      -2  -10    4 o    11.21000      0.2349000       11.78000 0.3446000       10.63000      0.3195000       1.159000      0.4699000
  1 1 1      -2  -10    5 o    15.58000      0.3091000       15.43000 0.4328000       15.73000      0.4416000     -0.3046000      0.6183000
  1 1 1      -2  -10    6 o    24.34000      0.4690000       24.97000 0.6794000       23.70000      0.6467000       1.269000      0.9380000
  1 1 1      -2  -10    8 o    6.357000      0.2080000       6.631000 0.2745000       6.084000      0.3126000      0.5468000      0.4160000
  1 1 1      -2  -10    9 f    12.69000      0.1951000       12.75000 0.2766000       12.63000      0.2751000      0.1142000      0.3901000
  1 1 1      -2  -10   10 o    16.37000      0.2388000       16.34000 0.3381000       16.40000      0.3372000     -0.5398000E-01  0.4776000
  1 1 1      -2  -10   11 o    8.251000      0.1672000       8.144000 0.2365000       8.358000      0.2365000     -0.2144000      0.3344000
  1 1 1      -2  -10   12 o    7.947000      0.1736000       8.055000 0.2450000       7.838000      0.2461000      0.2174000      0.3472000
  1 1 1      -2  -10   13 f    7.616000      0.1748000       7.648000 0.2443000       7.584000      0.2501000      0.6399000E-01  0.3496000
  1 1 1      -2  -10   14 o    8.898000      0.1824000       9.066000 0.2579000       8.729000      0.2579000      0.3372000      0.3647000
  1 1 1      -2  -10   15 o    6.659000      0.1953000       6.793000 0.2776000       6.526000      0.2747000      0.2673000      0.3905000
  1 1 1      -2  -10   16 o    2.308000      0.4028000       2.740000 0.4949000       1.876000      0.6356000      0.8641000      0.8056000
  1 1 1      -2  -10   17 o    8.703000      0.1948000       8.733000 0.2760000       8.672000      0.2749000      0.6069000E-01  0.3895000
  1 1 1      -2  -10   18 o    12.74000      0.2172000       12.78000 0.3080000       12.71000      0.3062000      0.7710000E-01  0.4343000
  1 1 1      -2  -10   19 o    7.393000      0.2106000       7.363000 0.2894000       7.423000      0.3061000     -0.5982000E-01  0.4212000
  1 1 1      -2  -10   20 o    5.733000      0.2430000       5.883000 0.3310000       5.583000      0.3559000      0.3002000      0.4860000
  1 1 1      -2  -10   21 o    7.460000      0.2221000       7.427000 0.3115000       7.492000      0.3167000     -0.6531000E-01  0.4442000
  1 1 1      -2  -10   22 o    10.62000      0.2185000       10.26000 0.3044000       10.98000      0.3137000     -0.7172000      0.4371000
  1 1 1      -2  -10   23 o    8.843000      0.2240000       9.289000 0.3111000       8.398000      0.3223000      0.8912000      0.4479000
  1 1 1      -2  -10   24 o    7.364000      0.2436000       7.621000 0.3331000       7.107000      0.3556000      0.5136000      0.4872000
  1 1 1      -2  -10   25 o    4.429000      0.3542000       3.932000 0.5374000       4.926000      0.4615000     -0.9942000      0.7084000
  1 1 1      -2  -10   26 o    6.955000      0.2672000       7.286000 0.3537000       6.624000      0.4007000      0.6623000      0.5345000
  1 1 1      -2  -10   27 o    5.354000      0.5078000       5.023000 0.8206000       5.684000      0.5985000     -0.6611000       1.016000
  1 1 1      -2  -10   28 o    9.696000      0.2472000       9.456000 0.3508000       9.936000      0.3483000     -0.4804000      0.4943000
  1 1 1      -2  -10   29 o    7.761000      0.2762000       8.019000 0.3859000       7.503000      0.3951000      0.5164000      0.5523000
  1 1 1      -2  -10   30 f    3.879000      0.6467000       3.823000 0.8210000       3.936000      0.9995000     -0.1128000       1.293000
  1 1 1      -2  -10   31 o    2.893000      0.6534000       3.555000 0.8782000       2.232000      0.9678000       1.323000       1.307000
  1 1 1      -2  -10   32 f    8.819000      0.2956000       8.733000 0.4130000       8.905000      0.4230000     -0.1726000      0.5911000
  1 1 1      -2  -10   33 o    2.239000      0.6010000       2.531000 0.8750000       1.947000      0.8242000      0.5841000       1.202000
  1 1 1      -2  -10   34 f    3.029000      0.6119000       3.025000 0.8576000       3.032000      0.8730000     -0.6773000E-02   1.224000
  1 1 1      -2  -10   35 o    1.834000      0.5655000       1.700000 0.7661000       1.968000      0.8321000     -0.2676000       1.131000
  1 1 1      -2  -10   36 o    3.460000      0.5674000       3.850000 0.7561000       3.069000      0.8463000      0.7809000       1.135000
  1 1 1      -2   -9    1 o    6.402000      0.1669000       6.346000 0.2292000       6.457000      0.2427000     -0.1104000      0.3339000
  1 1 1      -2   -9    2 o    11.18000      0.2302000       11.22000 0.3263000       11.15000      0.3248000      0.7148000E-01  0.4604000
  1 1 1      -2   -9    3 o    17.19000      0.3361000       17.26000 0.4777000       17.13000      0.4731000      0.1278000      0.6723000
  1 1 1      -2   -9    4 o    13.95000      0.1991000       14.14000 0.2850000       13.76000      0.2780000      0.3775000      0.3981000
  1 1 1      -2   -9    5 o    16.91000      0.2368000       16.93000 0.3356000       16.90000      0.3342000      0.3330000E-01  0.4736000
  1 1 1      -2   -9    6 o    24.17000      0.3303000       23.86000 0.4617000       24.48000      0.4723000     -0.6125000      0.6605000
  1 1 1      -2   -9    7 o    13.15000      0.1964000       13.42000 0.2816000       12.88000      0.2739000      0.5354000      0.3928000
  1 1 1      -2   -9    8 o    9.552000      0.1662000       9.580000 0.2352000       9.524000      0.2348000      0.5648000E-01  0.3323000
  1 1 1      -2   -9   10 o    6.937000      0.2210000       7.216000 0.2983000       6.658000      0.3263000      0.5584000      0.4421000
  1 1 1      -2   -9   11 o    2.109000      0.4312000       2.263000 0.5514000       1.956000      0.6632000      0.3070000      0.8624000
  1 1 1      -2   -9   12 o    7.249000      0.1713000       7.227000 0.2433000       7.271000      0.2411000     -0.4361000E-01  0.3425000
  1 1 1      -2   -9   13 o    2.121000      0.3824000       2.007000 0.5333000       2.235000      0.5482000     -0.2281000      0.7649000
  1 1 1      -2   -9   14 o    11.96000      0.2014000       11.94000 0.2839000       11.97000      0.2857000     -0.2633000E-01  0.4027000
  1 1 1      -2   -9   15 o    11.03000      0.1989000       11.24000 0.2848000       10.82000      0.2777000      0.4157000      0.3978000
  1 1 1      -2   -9   16 o    10.40000      0.1981000       10.48000 0.2839000       10.32000      0.2764000      0.1581000      0.3962000
  1 1 1      -2   -9   17 o    4.408000      0.2579000       4.478000 0.3444000       4.338000      0.3839000      0.1401000      0.5158000
  1 1 1      -2   -9   18 o    11.40000      0.2074000       11.22000 0.2911000       11.57000      0.2954000     -0.3512000      0.4147000
  1 1 1      -2   -9   19 o    3.719000      0.3152000       3.734000 0.4211000       3.704000      0.4691000      0.3016000E-01  0.6304000
  1 1 1      -2   -9   20 o    6.926000      0.2193000       6.954000 0.3075000       6.898000      0.3129000      0.5556000E-01  0.4387000
  1 1 1      -2   -9   21 o    7.599000      0.2175000       7.711000 0.3008000       7.488000      0.3141000      0.2231000      0.4349000
  1 1 1      -2   -9   22 o    7.670000      0.2241000       7.617000 0.3124000       7.723000      0.3214000     -0.1057000      0.4482000
  1 1 1      -2   -9   23 o    4.689000      0.3045000       4.995000 0.3982000       4.383000      0.4607000      0.6119000      0.6089000
  1 1 1      -2   -9   24 o    7.536000      0.2348000       7.198000 0.3330000       7.874000      0.3310000     -0.6768000      0.4695000
  1 1 1      -2   -9   25 o    5.652000      0.2859000       4.952000 0.4286000       6.352000      0.3785000      -1.400000      0.5718000
  1 1 1      -2   -9   26 o    3.467000      0.4504000       3.359000 0.6515000       3.575000      0.6221000     -0.2166000      0.9008000
  1 1 1      -2   -9   27 o    9.450000      0.3241000       9.291000 0.5459000       9.609000      0.3493000     -0.3185000      0.6481000
  1 1 1      -2   -9   28 o    5.334000      0.5334000       5.168000 0.8555000       5.500000      0.6375000     -0.3324000       1.067000
  1 1 1      -2   -9   29 o    3.986000      0.4676000       4.135000 0.6354000       3.838000      0.6862000      0.2964000      0.9352000
  1 1 1      -2   -9   30 o    6.514000      0.3067000       6.466000 0.4242000       6.562000      0.4430000     -0.9580000E-01  0.6134000
  1 1 1      -2   -9   31 o    5.827000      0.5044000       5.450000 0.6348000       6.203000      0.7842000     -0.7525000       1.009000
  1 1 1      -2   -9   32 o    9.209000      0.4090000       9.792000 0.4990000       8.627000      0.6481000       1.165000      0.8179000
  1 1 1      -2   -9   33 o    3.706000      0.5639000       2.885000 0.8884000       4.526000      0.6949000      -1.641000       1.128000
  1 1 1      -2   -9   34 o    2.044000      0.5760000       2.644000 0.9191000       1.444000      0.6945000       1.200000       1.152000
  1 1 1      -2   -9   35 o    3.535000      0.5737000       4.190000 0.7404000       2.881000      0.8767000       1.309000       1.147000
  1 1 1      -2   -9   36 o    2.791000      0.6368000       2.927000 0.9030000       2.656000      0.8980000      0.2707000       1.274000
  1 1 1      -2   -9   37 o    2.225000      0.6436000       2.056000 0.9323000       2.394000      0.8875000     -0.3386000       1.287000
  1 1 1      -2   -8    1 o    10.44000      0.1545000       10.55000 0.2214000       10.33000      0.2154000      0.2139000      0.3089000
  1 1 1      -2   -8    2 o    21.77000      0.2956000       21.94000 0.4214000       21.60000      0.4146000      0.3416000      0.5911000
  1 1 1      -2   -8    3 o    1.168000      0.2566000      0.8963000 0.3635000       1.439000      0.3622000     -0.5429000      0.5132000
  1 1 1      -2   -8    4 o    3.741000      0.1503000       3.855000 0.2062000       3.628000      0.2187000      0.2272000      0.3006000
  1 1 1      -2   -8    5 o    20.27000      0.3962000       19.83000 0.5500000       20.71000      0.5705000     -0.8850000      0.7925000
  1 1 1      -2   -8    6 o    8.343000      0.2113000       8.580000 0.3107000       8.105000      0.2866000      0.4756000      0.4227000
  1 1 1      -2   -8    7 o    8.373000      0.2184000       8.682000 0.3213000       8.064000      0.2958000      0.6183000      0.4368000
  1 1 1      -2   -8    8 f    6.067000      0.1488000       6.217000 0.2117000       5.917000      0.2092000      0.2993000      0.2976000
  1 1 1      -2   -8    9 o    14.36000      0.2123000       14.37000 0.3007000       14.36000      0.2998000      0.8246000E-02  0.4246000
  1 1 1      -2   -8   10 o    10.74000      0.1791000       10.85000 0.2560000       10.64000      0.2504000      0.2059000      0.3582000
  1 1 1      -2   -8   11 o    12.73000      0.2782000       12.64000 0.3866000       12.82000      0.4001000     -0.1842000      0.5564000
  1 1 1      -2   -8   12 o    4.352000      0.2786000       4.059000 0.3827000       4.646000      0.4049000     -0.5873000      0.5572000
  1 1 1      -2   -8   13 o    9.458000      0.2488000       9.392000 0.3393000       9.525000      0.3639000     -0.1323000      0.4975000
  1 1 1      -2   -8   14 o    13.55000      0.3037000       13.55000 0.3037000                  ?              ?              ?              ?
  1 1 1      -2   -8   15 o    9.837000      0.1889000       9.723000 0.2648000       9.951000      0.2696000     -0.2284000      0.3779000
  1 1 1      -2   -8   16 o    9.492000      0.2697000                  ?       ?   9.492000      0.2697000                  ?              ?
  1 1 1      -2   -8   17 o    2.033000      0.4445000       1.936000 0.6373000       2.129000      0.6200000     -0.1929000      0.8891000
  1 1 1      -2   -8   18 o    5.975000      0.2173000       6.135000 0.2998000       5.815000      0.3147000      0.3201000      0.4346000
  1 1 1      -2   -8   19 o    3.933000      0.2965000       3.765000 0.4243000       4.102000      0.4144000     -0.3368000      0.5931000
  1 1 1      -2   -8   20 o    5.029000      0.2596000       5.172000 0.3673000       4.886000      0.3668000      0.2855000      0.5191000
  1 1 1      -2   -8   21 o    6.245000      0.2379000       6.047000 0.3366000       6.443000      0.3362000     -0.3963000      0.4757000
  1 1 1      -2   -8   22 o    8.720000      0.2169000       8.663000 0.3061000       8.776000      0.3074000     -0.1132000      0.4338000
  1 1 1      -2   -8   23 f    16.34000      0.3173000       17.19000 0.5249000       15.50000      0.3568000       1.682000      0.6347000
  1 1 1      -2   -8   24 o    9.716000      0.2257000       9.983000 0.3149000       9.448000      0.3233000      0.5352000      0.4513000
  1 1 1      -2   -8   25 o    6.966000      0.2509000       7.051000 0.3420000       6.880000      0.3673000      0.1715000      0.5019000
  1 1 1      -2   -8   26 o    9.334000      0.2348000       9.366000 0.3297000       9.302000      0.3343000      0.6310000E-01  0.4696000
  1 1 1      -2   -8   27 o    6.395000      0.2757000       6.412000 0.3809000       6.378000      0.3987000      0.3381000E-01  0.5514000
  1 1 1      -2   -8   28 o    6.083000      0.4534000       6.909000 0.6323000       5.257000      0.6500000       1.652000      0.9068000
  1 1 1      -2   -8   29 o    4.006000      0.6748000       3.674000 1.079000       4.339000      0.8112000     -0.6650000       1.350000
  1 1 1      -2   -8   30 o    6.740000      0.3110000       6.826000 0.4310000       6.654000      0.4486000      0.1727000      0.6221000
  1 1 1      -2   -8   31 o    5.653000      0.3573000       5.698000 0.4886000       5.609000      0.5214000      0.8864000E-01  0.7146000
  1 1 1      -2   -8   32 o    6.448000      0.5022000       6.597000 0.5904000       6.298000      0.8126000      0.2986000       1.004000
  1 1 1      -2   -8   33 o    5.034000      0.4230000       5.127000 0.5835000       4.942000      0.6125000      0.1844000      0.8460000
  1 1 1      -2   -8   34 o    2.604000      0.6161000       2.233000 0.8658000       2.975000      0.8766000     -0.7417000       1.232000
  1 1 1      -2   -8   35 o    5.639000      0.3834000       5.576000 0.5715000       5.702000      0.5111000     -0.1252000      0.7667000
  1 1 1      -2   -8   36 o    3.375000      0.5775000       4.028000 0.7322000       2.722000      0.8933000       1.306000       1.155000
  1 1 1      -2   -8   37 o    1.970000      0.5769000       1.967000 0.8159000       1.973000      0.8160000     -0.5564000E-02   1.154000
  1 1 1      -2   -7    1 o    16.13000      0.2213000       16.37000 0.3176000       15.88000      0.3081000      0.4906000      0.4425000
  1 1 1      -2   -7    2 o    15.95000      0.2204000       15.99000 0.3123000       15.92000      0.3111000      0.7004000E-01  0.4409000
  1 1 1      -2   -7    3 o    29.63000      0.3989000       29.60000 0.5638000       29.66000      0.5645000     -0.5302000E-01  0.7978000
  1 1 1      -2   -7    4 o    31.07000      0.4187000       30.42000 0.5800000       31.72000      0.6041000      -1.295000      0.8374000
  1 1 1      -2   -7    5 o    16.73000      0.2347000       16.42000 0.3267000       17.04000      0.3371000     -0.6164000      0.4695000
  1 1 1      -2   -7    6 o    8.824000      0.1501000       8.843000 0.2119000       8.806000      0.2126000      0.3773000E-01  0.3001000
  1 1 1      -2   -7    7 o    11.03000      0.1726000       10.92000 0.2432000       11.14000      0.2451000     -0.2161000      0.3453000
  1 1 1      -2   -7    8 o    6.608000      0.2204000       6.336000 0.3292000       6.881000      0.2933000     -0.5450000      0.4409000
  1 1 1      -2   -7    9 o    21.52000      0.4238000       21.53000 0.6009000       21.52000      0.5978000      0.1385000E-01  0.8476000
  1 1 1      -2   -7   10 o    4.068000      0.2858000       4.169000 0.4349000       3.968000      0.3710000      0.2014000      0.5717000
  1 1 1      -2   -7   11 o    18.99000      0.2695000       18.95000 0.3804000       19.04000      0.3818000     -0.9450000E-01  0.5390000
  1 1 1      -2   -7   12 o    9.990000      0.1784000       9.890000 0.2504000       10.09000      0.2541000     -0.2007000      0.3567000
  1 1 1      -2   -7   13 o    14.99000      0.3177000       14.80000 0.4400000       15.18000      0.4583000     -0.3830000      0.6354000
  1 1 1      -2   -7   14 o    13.06000      0.4093000       13.06000 0.4093000                  ?              ?              ?              ?
  1 1 1      -2   -7   15 o    3.902000      0.2470000       3.967000 0.3441000       3.838000      0.3545000      0.1290000      0.4941000
  1 1 1      -2   -7   16 o    9.526000      0.2691000                  ?       ?   9.526000      0.2691000                  ?              ?
  1 1 1      -2   -7   17 o    11.26000      0.2041000       11.37000 0.2917000       11.14000      0.2857000      0.2288000      0.4083000
  1 1 1      -2   -7   18 o    12.23000      0.2118000       12.15000 0.2981000       12.32000      0.3009000     -0.1674000      0.4236000
  1 1 1      -2   -7   19 o    9.766000      0.1993000       9.939000 0.2800000       9.593000      0.2838000      0.3461000      0.3987000
  1 1 1      -2   -7   20 o    8.475000      0.2079000       8.468000 0.2923000       8.483000      0.2959000     -0.1547000E-01  0.4159000
  1 1 1      -2   -7   21 o    2.167000      0.4779000       2.315000 0.6678000       2.018000      0.6838000      0.2963000      0.9558000
  1 1 1      -2   -7   22 o    9.065000      0.2161000       8.708000 0.3075000       9.423000      0.3037000     -0.7156000      0.4322000
  1 1 1      -2   -7   23 o    12.97000      0.2964000       13.31000 0.4962000       12.62000      0.3244000      0.6940000      0.5929000
  1 1 1      -2   -7   24 o    11.97000      0.2282000       12.07000 0.3233000       11.88000      0.3223000      0.1896000      0.4565000
  1 1 1      -2   -7   25 o    10.14000      0.2283000       10.64000 0.3210000       9.645000      0.3248000      0.9925000      0.4567000
  1 1 1      -2   -7   26 o    5.406000      0.2958000       5.356000 0.4193000       5.455000      0.4173000     -0.9880000E-01  0.5915000
  1 1 1      -2   -7   27 o    6.673000      0.2688000       6.470000 0.3751000       6.875000      0.3851000     -0.4042000      0.5376000
  1 1 1      -2   -7   28 o    3.606000      0.4706000       3.434000 0.6862000       3.779000      0.6443000     -0.3445000      0.9413000
  1 1 1      -2   -7   29 o    7.392000      0.4179000       7.424000 0.6354000       7.360000      0.5429000      0.6367000E-01  0.8358000
  1 1 1      -2   -7   30 o    3.660000      0.5089000       3.303000 0.7681000       4.018000      0.6678000     -0.7156000       1.018000
  1 1 1      -2   -7   31 o    9.891000      0.2676000       9.669000 0.3856000       10.11000      0.3712000     -0.4449000      0.5353000
  1 1 1      -2   -7   32 o    2.808000      0.7264000       2.822000 0.9751000       2.794000       1.077000      0.2810000E-01   1.453000
  1 1 1      -2   -7   33 o    6.011000      0.3761000       6.238000 0.4910000       5.784000      0.5698000      0.4541000      0.7521000
  1 1 1      -2   -7   34 o    3.126000      0.5928000       3.741000 0.7741000       2.511000      0.8979000       1.230000       1.186000
  1 1 1      -2   -7   35 o    6.354000      0.3433000       6.477000 0.4821000       6.231000      0.4888000      0.2457000      0.6865000
  1 1 1      -2   -7   36 o    4.425000      0.4725000       4.540000 0.6639000       4.311000      0.6726000      0.2288000      0.9451000
  1 1 1      -2   -7   37 o    2.519000      0.6096000       2.480000 0.8498000       2.559000      0.8743000     -0.7979000E-01   1.219000
  1 1 1      -2   -6    1 o    13.75000      0.1902000       13.72000 0.2685000       13.78000      0.2693000     -0.6516000E-01  0.3803000
  1 1 1      -2   -6    2 o    18.49000      0.2522000       18.49000 0.3568000       18.48000      0.3566000      0.7103000E-02  0.5045000
  1 1 1      -2   -6    3 o    31.72000      0.4265000       31.17000 0.5928000       32.27000      0.6132000      -1.107000      0.8529000
  1 1 1      -2   -6    4 o    22.52000      0.3067000       22.59000 0.4353000       22.44000      0.4322000      0.1444000      0.6134000
  1 1 1      -2   -6    5 o    11.27000      0.1696000       11.26000 0.2397000       11.28000      0.2400000     -0.1904000E-01  0.3392000
  1 1 1      -2   -6    6 f    13.72000      0.1988000       13.86000 0.2834000       13.59000      0.2789000      0.2725000      0.3976000
  1 1 1      -2   -6    7 o    7.528000      0.1424000       7.527000 0.2026000       7.529000      0.2002000     -0.2211000E-02  0.2848000
  1 1 1      -2   -6    8 o    5.682000      0.1444000       5.724000 0.2024000       5.640000      0.2061000      0.8404000E-01  0.2889000
  1 1 1      -2   -6    9 o    7.437000      0.1507000       7.544000 0.2110000       7.329000      0.2153000      0.2143000      0.3015000
  1 1 1      -2   -6   10 o    20.91000      0.4133000       20.29000 0.5703000       21.52000      0.5984000      -1.231000      0.8266000
  1 1 1      -2   -6   11 f    10.14000      0.2478000       9.929000 0.3531000       10.34000      0.3478000     -0.4141000      0.4957000
  1 1 1      -2   -6   12 o    16.25000      0.2387000       16.42000 0.3410000       16.08000      0.3340000      0.3362000      0.4773000
  1 1 1      -2   -6   13 o    2.770000      0.2960000       2.764000 0.4106000       2.777000      0.4265000     -0.1314000E-01  0.5920000
  1 1 1      -2   -6   14 o    6.544000      0.2478000       6.714000 0.3391000       6.373000      0.3614000      0.3405000      0.4956000
  1 1 1      -2   -6   15 o    7.527000      0.2543000       7.316000 0.3457000       7.738000      0.3731000     -0.4219000      0.5087000
  1 1 1      -2   -6   16 f    13.65000      0.2162000       14.10000 0.3106000       13.20000      0.3009000      0.9002000      0.4325000
  1 1 1      -2   -6   17 o    7.766000      0.1914000       7.914000 0.2761000       7.618000      0.2650000      0.2955000      0.3827000
  1 1 1      -2   -6   18 o    6.939000      0.2051000       6.899000 0.2964000       6.979000      0.2836000     -0.7948000E-01  0.4102000
  1 1 1      -2   -6   19 o    4.092000      0.2827000       4.419000 0.3529000       3.764000      0.4417000      0.6553000      0.5653000
  1 1 1      -2   -6   20 o    7.700000      0.2088000       7.516000 0.2913000       7.884000      0.2994000     -0.3683000      0.4177000
  1 1 1      -2   -6   21 o    9.007000      0.2091000       8.755000 0.2936000       9.259000      0.2978000     -0.5047000      0.4182000
  1 1 1      -2   -6   22 o    8.856000      0.2154000       8.711000 0.3032000       9.001000      0.3060000     -0.2904000      0.4308000
  1 1 1      -2   -6   23 o    6.173000      0.2474000       6.158000 0.3462000       6.187000      0.3536000     -0.2873000E-01  0.4948000
  1 1 1      -2   -6   24 o    5.835000      0.2619000       5.676000 0.3749000       5.993000      0.3658000     -0.3169000      0.5238000
  1 1 1      -2   -6   25 o    10.56000      0.2264000       10.41000 0.3173000       10.72000      0.3231000     -0.3123000      0.4529000
  1 1 1      -2   -6   26 o    3.233000      0.4393000       3.041000 0.6483000       3.425000      0.5929000     -0.3842000      0.8786000
  1 1 1      -2   -6   27 o    4.352000      0.3691000       4.203000 0.5246000       4.501000      0.5193000     -0.2976000      0.7381000
  1 1 1      -2   -6   28 o    3.992000      0.4098000       4.020000 0.5576000       3.965000      0.6006000      0.5483000E-01  0.8196000
  1 1 1      -2   -6   29 o    4.474000      0.5729000       4.879000 0.8262000       4.069000      0.7941000      0.8105000       1.146000
  1 1 1      -2   -6   30 o    4.763000      0.3575000       4.968000 0.4753000       4.558000      0.5341000      0.4095000      0.7149000
  1 1 1      -2   -6   31 o    8.159000      0.2839000       8.271000 0.4036000       8.048000      0.3995000      0.2222000      0.5678000
  1 1 1      -2   -6   32 o    6.674000      0.4596000       7.389000 0.5296000       5.959000      0.7513000       1.430000      0.9192000
  1 1 1      -2   -6   33 o    5.248000      0.5717000       5.187000 0.6888000       5.308000      0.9126000     -0.1211000       1.143000
  1 1 1      -2   -6   34 o    4.343000      0.4939000       4.511000 0.6532000       4.175000      0.7409000      0.3360000      0.9877000
  1 1 1      -2   -6   35 o    6.091000      0.3467000       5.785000 0.5043000       6.397000      0.4759000     -0.6117000      0.6934000
  1 1 1      -2   -6   36 f    3.885000      0.5162000       4.212000 0.6603000       3.557000      0.7936000      0.6541000       1.032000
  1 1 1      -2   -6   37 o    3.100000      0.5751000       3.688000 0.7546000       2.512000      0.8681000       1.177000       1.150000
  1 1 1      -2   -5    1 o    14.02000      0.1935000       13.95000 0.2723000       14.08000      0.2749000     -0.1290000      0.3869000
  1 1 1      -2   -5    2 o    33.95000      0.4555000       34.60000 0.6559000       33.30000      0.6323000       1.298000      0.9111000
  1 1 1      -2   -5    3 o    22.01000      0.2989000       22.06000 0.4236000       21.97000      0.4218000      0.8267000E-01  0.5978000
  1 1 1      -2   -5    4 o    11.39000      0.1671000       11.49000 0.2382000       11.28000      0.2345000      0.2125000      0.3342000
  1 1 1      -2   -5    5 o    16.79000      0.2339000       16.94000 0.3332000       16.64000      0.3284000      0.3000000      0.4678000
  1 1 1      -2   -5    6 o    5.402000      0.1936000       5.614000 0.2728000       5.190000      0.2748000      0.4240000      0.3872000
  1 1 1      -2   -5    7 o    5.467000      0.1358000       5.397000 0.1945000       5.537000      0.1894000     -0.1392000      0.2715000
  1 1 1      -2   -5    8 o    3.021000      0.1961000       2.780000 0.2921000       3.262000      0.2616000     -0.4817000      0.3921000
  1 1 1      -2   -5    9 o    2.448000      0.2538000       2.270000 0.3757000       2.626000      0.3414000     -0.3553000      0.5076000
  1 1 1      -2   -5   10 o    21.68000      0.3007000       21.79000 0.4273000       21.56000      0.4231000      0.2219000      0.6013000
  1 1 1      -2   -5   11 o    11.11000      0.2573000       10.72000 0.3630000       11.49000      0.3648000     -0.7654000      0.5146000
  1 1 1      -2   -5   12 o    10.54000      0.2521000       11.16000 0.3700000       9.909000      0.3426000       1.252000      0.5043000
  1 1 1      -2   -5   13 o    10.38000      0.1807000       10.79000 0.2590000       9.969000      0.2522000      0.8208000      0.3615000
  1 1 1      -2   -5   14 o    8.644000      0.1745000       8.796000 0.2467000       8.492000      0.2467000      0.3034000      0.3489000
  1 1 1      -2   -5   15 f    10.24000      0.2606000       9.799000 0.3531000       10.69000      0.3834000     -0.8897000      0.5213000
  1 1 1      -2   -5   16 f    1.597000      0.4614000       1.484000 0.6118000       1.710000      0.6908000     -0.2262000      0.9228000
  1 1 1      -2   -5   17 o    2.824000      0.3655000       2.950000 0.5087000       2.697000      0.5249000      0.2533000      0.7310000
  1 1 1      -2   -5   18 f    3.012000      0.3457000       2.863000 0.5152000       3.161000      0.4610000     -0.2978000      0.6914000
  1 1 1      -2   -5   19 o    3.998000      0.2769000       3.586000 0.4151000       4.410000      0.3666000     -0.8243000      0.5538000
  1 1 1      -2   -5   20 o    11.18000      0.2078000       11.22000 0.2935000       11.14000      0.2942000      0.7877000E-01  0.4156000
  1 1 1      -2   -5   21 o    13.75000      0.2304000       13.80000 0.3262000       13.71000      0.3255000      0.9083000E-01  0.4608000
  1 1 1      -2   -5   22 o    5.588000      0.2543000       5.912000 0.3416000       5.265000      0.3769000      0.6473000      0.5087000
  1 1 1      -2   -5   23 o    11.29000      0.2213000       11.26000 0.3151000       11.31000      0.3108000     -0.5282000E-01  0.4426000
  1 1 1      -2   -5   24 o    8.470000      0.2238000       8.195000 0.3170000       8.746000      0.3161000     -0.5517000      0.4477000
  1 1 1      -2   -5   25 f    13.25000      0.2378000       12.98000 0.3327000       13.52000      0.3398000     -0.5437000      0.4756000
  1 1 1      -2   -5   26 o    10.20000      0.2299000       10.51000 0.3247000       9.879000      0.3255000      0.6342000      0.4598000
  1 1 1      -2   -5   27 o    3.607000      0.4363000       3.688000 0.5875000       3.525000      0.6452000      0.1636000      0.8726000
  1 1 1      -2   -5   28 f    9.030000      0.2483000       9.046000 0.3507000       9.014000      0.3515000      0.3134000E-01  0.4965000
  1 1 1      -2   -5   29 o    8.455000      0.3746000       8.243000 0.5707000       8.667000      0.4855000     -0.4240000      0.7493000
  1 1 1      -2   -5   30 o    3.546000      0.6991000       3.825000 1.057000       3.268000      0.9151000      0.5578000       1.398000
  1 1 1      -2   -5   31 o    8.083000      0.2854000       8.075000 0.3989000       8.091000      0.4084000     -0.1584000E-01  0.5709000
  1 1 1      -2   -5   32 o    5.301000      0.5569000       5.123000 0.7086000       5.479000      0.8594000     -0.3569000       1.114000
  1 1 1      -2   -5   33 o    8.596000      0.4279000       8.672000 0.5379000       8.519000      0.6656000      0.1538000      0.8558000
  1 1 1      -2   -5   34 o    6.191000      0.3636000       6.035000 0.5125000       6.348000      0.5159000     -0.3128000      0.7272000
  1 1 1      -2   -5   35 o    3.647000      0.5805000       3.783000 0.7782000       3.510000      0.8616000      0.2736000       1.161000
  1 1 1      -2   -5   36 o    3.984000      0.5067000       4.290000 0.6561000       3.678000      0.7724000      0.6112000       1.013000
  1 1 1      -2   -5   37 o    3.183000      0.6028000       3.102000 0.8492000       3.263000      0.8557000     -0.1615000       1.206000
  1 1 1      -2   -4    1 o    22.43000      0.3027000       22.48000 0.4285000       22.38000      0.4278000      0.9575000E-01  0.6055000
  1 1 1      -2   -4    2 o    13.47000      0.1881000       13.61000 0.2687000       13.33000      0.2634000      0.2837000      0.3763000
  1 1 1      -2   -4    3 o    24.85000      0.3359000       24.77000 0.4740000       24.93000      0.4760000     -0.1637000      0.6717000
  1 1 1      -2   -4    4 f    17.32000      0.2389000       17.33000 0.3379000       17.31000      0.3377000      0.1956000E-01  0.4777000
  1 1 1      -2   -4    5 o    17.63000      0.2442000       17.15000 0.3362000       18.11000      0.3542000     -0.9598000      0.4884000
  1 1 1      -2   -4    6 o    11.74000      0.1737000       11.86000 0.2472000       11.61000      0.2440000      0.2551000      0.3473000
  1 1 1      -2   -4    7 o    8.825000      0.1470000       8.824000 0.2080000       8.827000      0.2077000     -0.3272000E-02  0.2940000
  1 1 1      -2   -4    8 o    8.546000      0.1474000       8.607000 0.2081000       8.484000      0.2088000      0.1228000      0.2948000
  1 1 1      -2   -4    9 o    13.51000      0.2454000       13.44000 0.2815000       13.57000      0.4020000     -0.1320000      0.4908000
  1 1 1      -2   -4   10 o    16.06000      0.2306000       15.87000 0.3232000       16.24000      0.3289000     -0.3684000      0.4611000
  1 1 1      -2   -4   11 o    3.628000      0.1942000       3.539000 0.2713000       3.717000      0.2781000     -0.1776000      0.3885000
  1 1 1      -2   -4   12 o    5.666000      0.2381000       6.226000 0.3342000       5.106000      0.3392000       1.120000      0.4762000
  1 1 1      -2   -4   13 o    8.592000      0.2407000       8.691000 0.3465000       8.494000      0.3341000      0.1968000      0.4814000
  1 1 1      -2   -4   14 o    6.986000      0.1737000       7.166000 0.2408000       6.805000      0.2503000      0.3607000      0.3473000
  1 1 1      -2   -4   15 o    5.427000      0.2612000       5.658000 0.3587000       5.197000      0.3799000      0.4612000      0.5225000
  1 1 1      -2   -4   16 o    9.048000      0.2561000       9.200000 0.3528000       8.896000      0.3713000      0.3041000      0.5122000
  1 1 1      -2   -4   17 o    7.453000      0.1885000       7.491000 0.2560000       7.415000      0.2767000      0.7652000E-01  0.3769000
  1 1 1      -2   -4   18 o    6.394000      0.2040000       6.207000 0.2896000       6.581000      0.2874000     -0.3741000      0.4080000
  1 1 1      -2   -4   19 o    3.597000      0.2993000       3.697000 0.4045000       3.496000      0.4413000      0.2009000      0.5986000
  1 1 1      -2   -4   20 o    4.727000      0.2546000       5.000000 0.3444000       4.454000      0.3749000      0.5460000      0.5091000
  1 1 1      -2   -4   21 o    7.098000      0.2186000       7.321000 0.3008000       6.875000      0.3173000      0.4460000      0.4372000
  1 1 1      -2   -4   22 o    8.609000      0.2142000       8.860000 0.2983000       8.357000      0.3076000      0.5032000      0.4285000
  1 1 1      -2   -4   23 o    8.443000      0.2161000       8.688000 0.3013000       8.198000      0.3098000      0.4901000      0.4321000
  1 1 1      -2   -4   24 o    6.289000      0.2476000       6.380000 0.3414000       6.198000      0.3586000      0.1818000      0.4951000
  1 1 1      -2   -4   25 o    8.122000      0.2291000       8.176000 0.3243000       8.067000      0.3237000      0.1095000      0.4582000
  1 1 1      -2   -4   26 o    7.927000      0.2384000       7.961000 0.3314000       7.893000      0.3429000      0.6786000E-01  0.4769000
  1 1 1      -2   -4   27 o    8.812000      0.2391000       8.992000 0.3335000       8.633000      0.3426000      0.3587000      0.4782000
  1 1 1      -2   -4   28 o    5.275000      0.3259000       5.040000 0.4809000       5.509000      0.4400000     -0.4690000      0.6518000
  1 1 1      -2   -4   29 o    6.979000      0.4046000       6.866000 0.6113000       7.092000      0.5302000     -0.2266000      0.8092000
  1 1 1      -2   -4   30 o    3.129000      0.6761000       2.930000 1.023000       3.329000      0.8838000     -0.3984000       1.352000
  1 1 1      -2   -4   31 o    2.457000      0.5583000       1.834000 0.7785000       3.080000      0.8005000      -1.246000       1.117000
  1 1 1      -2   -4   32 o    3.058000      0.7062000       3.285000 0.9284000       2.831000       1.064000      0.4544000       1.412000
  1 1 1      -2   -4   33 o    7.785000      0.4389000       7.942000 0.5561000       7.627000      0.6791000      0.3155000      0.8777000
  1 1 1      -2   -4   34 o    4.103000      0.5175000       4.334000 0.6981000       3.872000      0.7641000      0.4613000       1.035000
  1 1 1      -2   -4   35 o    5.431000      0.4124000       6.041000 0.5110000       4.821000      0.6474000       1.219000      0.8248000
  1 1 1      -2   -4   36 o    2.397000      0.6092000       2.683000 0.8792000       2.111000      0.8435000      0.5716000       1.218000
  1 1 1      -2   -4   37 o    3.643000      0.5376000       3.254000 0.8276000       4.032000      0.6862000     -0.7777000       1.075000
  1 1 1      -2   -4   38 o    1.837000      0.5876000       2.195000 0.9493000       1.480000      0.6927000      0.7152000       1.175000
  1 1 1      -2   -3    1 o    18.24000      0.2474000       18.14000 0.3480000       18.34000      0.3518000     -0.2032000      0.4948000
  1 1 1      -2   -3    2 o    6.682000      0.1353000       6.602000 0.2208000       6.763000      0.1562000     -0.1603000      0.2705000
  1 1 1      -2   -3    3 o    19.66000      0.2675000       19.72000 0.3795000       19.59000      0.3769000      0.1329000      0.5349000
  1 1 1      -2   -3    4 f    23.03000      0.3125000       23.24000 0.4465000       22.81000      0.4374000      0.4231000      0.6250000
  1 1 1      -2   -3    5 o    8.608000      0.1366000       8.862000 0.1963000       8.355000      0.1899000      0.5071000      0.2731000
  1 1 1      -2   -3    6 o    2.079000      0.2048000       2.006000 0.2954000       2.153000      0.2837000     -0.1465000      0.4096000
  1 1 1      -2   -3    7 o    22.14000      0.3029000       21.93000 0.4247000       22.35000      0.4320000     -0.4240000      0.6058000
  1 1 1      -2   -3    8 o    6.654000      0.1646000       6.408000 0.2693000       6.901000      0.1893000     -0.4931000      0.3291000
  1 1 1      -2   -3    9 o    8.665000      0.1487000       8.738000 0.2102000       8.592000      0.2103000      0.1458000      0.2973000
  1 1 1      -2   -3   10 o    15.90000      0.2280000       15.97000 0.3230000       15.84000      0.3218000      0.1309000      0.4560000
  1 1 1      -2   -3   11 o    12.99000      0.1968000       12.84000 0.2762000       13.15000      0.2803000     -0.3060000      0.3935000
  1 1 1      -2   -3   12 o    11.37000      0.2580000       11.36000 0.3672000       11.38000      0.3624000     -0.2214000E-01  0.5159000
  1 1 1      -2   -3   13 o    8.363000      0.2343000       8.156000 0.3341000       8.569000      0.3286000     -0.4134000      0.4687000
  1 1 1      -2   -3   14 o    8.935000      0.1723000       9.208000 0.2450000       8.662000      0.2423000      0.5451000      0.3445000
  1 1 1      -2   -3   15 o    8.760000      0.2530000       8.760000 0.2530000                  ?              ?              ?              ?
  1 1 1      -2   -3   16 o    3.132000      0.4056000       2.665000 0.6222000       3.599000      0.5204000     -0.9336000      0.8112000
  1 1 1      -2   -3   17 o    5.826000      0.2811000                  ?       ?   5.826000      0.2811000                  ?              ?
  1 1 1      -2   -3   18 o    10.50000      0.1971000       10.66000 0.2823000       10.34000      0.2752000      0.3227000      0.3942000
  1 1 1      -2   -3   19 o    5.141000      0.2248000       5.299000 0.3131000       4.982000      0.3228000      0.3168000      0.4497000
  1 1 1      -2   -3   20 o    3.305000      0.3569000       2.571000 0.5973000       4.039000      0.3908000      -1.468000      0.7138000
  1 1 1      -2   -3   21 o    10.29000      0.2072000       10.26000 0.2927000       10.32000      0.2933000     -0.5902000E-01  0.4144000
  1 1 1      -2   -3   22 o    14.42000      0.2385000       14.37000 0.3370000       14.46000      0.3375000     -0.9225000E-01  0.4769000
  1 1 1      -2   -3   23 o    3.317000      0.3888000       3.016000 0.5767000       3.619000      0.5218000     -0.6033000      0.7777000
  1 1 1      -2   -3   24 o    7.536000      0.2331000       7.747000 0.3314000       7.325000      0.3278000      0.4213000      0.4661000
  1 1 1      -2   -3   25 o    6.362000      0.2519000       6.642000 0.3457000       6.083000      0.3664000      0.5589000      0.5037000
  1 1 1      -2   -3   26 o    7.280000      0.2432000       7.850000 0.3290000       6.711000      0.3583000       1.139000      0.4864000
  1 1 1      -2   -3   27 o    12.28000      0.2393000       12.43000 0.3359000       12.13000      0.3408000      0.2975000      0.4785000
  1 1 1      -2   -3   28 o    6.698000      0.2776000       6.881000 0.3825000       6.516000      0.4025000      0.3653000      0.5553000
  1 1 1      -2   -3   29 o    3.210000      0.6514000       3.042000 0.9696000       3.378000      0.8703000     -0.3359000       1.303000
  1 1 1      -2   -3   30 o    3.162000      0.6247000       4.143000 0.9063000       2.181000      0.8599000       1.963000       1.249000
  1 1 1      -2   -3   31 o    3.608000      0.5095000       3.512000 0.7475000       3.705000      0.6925000     -0.1937000       1.019000
  1 1 1      -2   -3   32 o    2.377000      0.6875000       2.370000 0.9454000       2.384000      0.9984000     -0.1351000E-01   1.375000
  1 1 1      -2   -3   33 o    9.686000      0.4053000       9.995000 0.5397000       9.376000      0.6047000      0.6192000      0.8106000
  1 1 1      -2   -3   34 o    2.404000      0.6147000       2.127000 0.8578000       2.682000      0.8806000     -0.5548000       1.229000
  1 1 1      -2   -3   35 o    2.745000      0.6059000       2.898000 0.8415000       2.593000      0.8721000      0.3052000       1.212000
  1 1 1      -2   -3   36 o    3.228000      0.5802000       3.385000 0.8096000       3.072000      0.8314000      0.3135000       1.160000
  1 1 1      -2   -3   37 o    5.073000      0.4132000       4.878000 0.6220000       5.269000      0.5442000     -0.3909000      0.8265000
  1 1 1      -2   -3   38 o    1.801000      0.5469000       1.810000 0.7838000       1.793000      0.7628000      0.1729000E-01   1.094000
  1 1 1      -2   -2    1 f    28.49000      0.3822000       29.27000 0.5548000       27.71000      0.5258000       1.558000      0.7643000
  1 1 1      -2   -2    2 f    9.021000      0.1320000       9.295000 0.1909000       8.747000      0.1824000      0.5483000      0.2640000
  1 1 1      -2   -2    3 o    42.47000      0.5694000       42.41000 0.8024000       42.53000      0.8082000     -0.1162000       1.139000
  1 1 1      -2   -2    4 o    34.90000      0.4692000       34.26000 0.6526000       35.55000      0.6742000      -1.293000      0.9383000
  1 1 1      -2   -2    5 o    7.566000      0.1243000       7.588000 0.1760000       7.543000      0.1756000      0.4509000E-01  0.2486000
  1 1 1      -2   -2    6 o    9.782000      0.1831000       9.822000 0.2989000       9.743000      0.2115000      0.7909000E-01  0.3661000
  1 1 1      -2   -2    7 o    23.96000      0.3261000       24.27000 0.4670000       23.65000      0.4553000      0.6276000      0.6522000
  1 1 1      -2   -2    8 o    27.63000      0.4585000       27.73000 0.5334000       27.53000      0.7460000      0.2076000      0.9171000
  1 1 1      -2   -2    9 o    18.45000      0.2578000       18.57000 0.3667000       18.33000      0.3625000      0.2391000      0.5156000
  1 1 1      -2   -2   10 o    4.852000      0.1476000       4.993000 0.2026000       4.712000      0.2147000      0.2811000      0.2952000
  1 1 1      -2   -2   11 o    17.11000      0.2442000       17.63000 0.3546000       16.60000      0.3358000       1.036000      0.4883000
  1 1 1      -2   -2   12 o    9.789000      0.1679000       9.973000 0.2382000       9.606000      0.2367000      0.3672000      0.3358000
  1 1 1      -2   -2   13 f    1.996000      0.4156000       2.495000 0.5904000       1.497000      0.5852000      0.9976000      0.8313000
  1 1 1      -2   -2   14 o    13.45000      0.2080000       13.42000 0.2928000       13.49000      0.2954000     -0.6085000E-01  0.4159000
  1 1 1      -2   -2   15 f    10.58000      0.2621000       10.58000 0.2621000                  ?              ?              ?              ?
  1 1 1      -2   -2   16 o    4.680000      0.2959000       4.131000 0.4288000       5.228000      0.4080000      -1.097000      0.5918000
  1 1 1      -2   -2   17 o    3.611000      0.3711000                  ?       ?   3.611000      0.3711000                  ?              ?
  1 1 1      -2   -2   18 o    4.030000      0.2547000       3.983000 0.3665000       4.078000      0.3539000     -0.9446000E-01  0.5095000
  1 1 1      -2   -2   19 o    10.53000      0.1992000       10.92000 0.2862000       10.14000      0.2773000      0.7796000      0.3985000
  1 1 1      -2   -2   20 o    4.353000      0.2581000       4.668000 0.3483000       4.038000      0.3810000      0.6293000      0.5163000
  1 1 1      -2   -2   21 o    8.154000      0.2032000       7.900000 0.2857000       8.409000      0.2891000     -0.5098000      0.4065000
  1 1 1      -2   -2   22 o    15.73000      0.2490000       15.50000 0.3488000       15.95000      0.3554000     -0.4431000      0.4980000
  1 1 1      -2   -2   23 o    3.785000      0.3524000       3.245000 0.5627000       4.324000      0.4243000      -1.078000      0.7047000
  1 1 1      -2   -2   24 o    8.602000      0.2195000       8.666000 0.3131000       8.538000      0.3076000      0.1286000      0.4389000
  1 1 1      -2   -2   25 o    10.04000      0.2245000       10.36000 0.3157000       9.711000      0.3193000      0.6473000      0.4490000
  1 1 1      -2   -2   26 o    17.62000      0.2768000       17.89000 0.3957000       17.35000      0.3871000      0.5323000      0.5535000
  1 1 1      -2   -2   27 o    9.712000      0.2303000       9.906000 0.3267000       9.518000      0.3247000      0.3877000      0.4606000
  1 1 1      -2   -2   28 o    4.793000      0.3367000       4.418000 0.4935000       5.169000      0.4581000     -0.7514000      0.6733000
  1 1 1      -2   -2   29 o    8.609000      0.3546000       8.673000 0.5249000       8.546000      0.4770000      0.1267000      0.7093000
  1 1 1      -2   -2   30 o    2.710000      0.6591000       2.432000 0.9609000       2.988000      0.9026000     -0.5563000       1.318000
  1 1 1      -2   -2   31 o    6.780000      0.2979000       7.039000 0.4226000       6.521000      0.4200000      0.5185000      0.5959000
  1 1 1      -2   -2   32 o    7.965000      0.4113000       7.669000 0.5650000       8.262000      0.5978000     -0.5933000      0.8226000
  1 1 1      -2   -2   33 o    5.606000      0.5635000       4.934000 0.8111000       6.278000      0.7823000      -1.343000       1.127000
  1 1 1      -2   -2   34 o    5.754000      0.3830000       6.337000 0.5024000       5.170000      0.5784000       1.167000      0.7661000
  1 1 1      -2   -2   35 o    6.262000      0.3506000       5.738000 0.5356000       6.787000      0.4526000      -1.049000      0.7012000
  1 1 1      -2   -2   36 o    3.222000      0.5820000       3.550000 0.7830000       2.893000      0.8613000      0.6572000       1.164000
  1 1 1      -2   -2   37 o    4.062000      0.5041000       3.382000 0.8195000       4.742000      0.5872000      -1.360000       1.008000
  1 1 1      -2   -2   38 o    1.878000      0.5593000       1.974000 0.8064000       1.781000      0.7753000      0.1938000       1.119000
  1 1 1      -2   -1    2 o    35.21000      0.5746000       34.44000 0.9234000       35.98000      0.6841000      -1.535000       1.149000
  1 1 1      -2   -1    3 o    9.799000      0.1428000       9.665000 0.2002000       9.933000      0.2035000     -0.2677000      0.2855000
  1 1 1      -2   -1    4 o    27.00000      0.3646000       26.62000 0.5080000       27.37000      0.5233000     -0.7483000      0.7293000
  1 1 1      -2   -1    5 o    3.266000      0.1190000       3.362000 0.1665000       3.171000      0.1702000      0.1908000      0.2381000
  1 1 1      -2   -1    6 o    14.45000      0.2037000       14.16000 0.2829000       14.74000      0.2933000     -0.5776000      0.4075000
  1 1 1      -2   -1    7 o    7.469000      0.1304000       7.402000 0.1841000       7.537000      0.1846000     -0.1354000      0.2607000
  1 1 1      -2   -1    8 o    5.947000      0.1292000       6.163000 0.1826000       5.731000      0.1828000      0.4315000      0.2584000
  1 1 1      -2   -1    9 o    3.602000      0.1600000       3.530000 0.2286000       3.673000      0.2240000     -0.1429000      0.3201000
  1 1 1      -2   -1   10 o    9.091000      0.1907000       8.961000 0.2177000       9.222000      0.3132000     -0.2607000      0.3814000
  1 1 1      -2   -1   11 o    19.03000      0.2677000       18.94000 0.3776000       19.12000      0.3796000     -0.1819000      0.5354000
  1 1 1      -2   -1   12 o    8.509000      0.2227000       8.617000 0.3194000       8.401000      0.3104000      0.2153000      0.4454000
  1 1 1      -2   -1   13 o    9.785000      0.2412000       10.31000 0.3521000       9.255000      0.3296000       1.059000      0.4823000
  1 1 1      -2   -1   14 o    11.53000      0.1893000       11.50000 0.2664000       11.55000      0.2689000     -0.4768000E-01  0.3785000
  1 1 1      -2   -1   15 o    12.68000      0.2479000       13.01000 0.4110000       12.34000      0.2775000      0.6668000      0.4959000
  1 1 1      -2   -1   16 o    6.625000      0.2557000       6.285000 0.3490000       6.966000      0.3739000     -0.6809000      0.5115000
  1 1 1      -2   -1   17 o    9.707000      0.1897000       9.610000 0.2688000       9.805000      0.2679000     -0.1946000      0.3795000
  1 1 1      -2   -1   18 o    6.365000      0.2036000       6.058000 0.3001000       6.671000      0.2753000     -0.6130000      0.4073000
  1 1 1      -2   -1   19 o    6.427000      0.2014000       6.660000 0.2837000       6.194000      0.2860000      0.4656000      0.4028000
  1 1 1      -2   -1   20 o    4.488000      0.2510000       4.539000 0.3580000       4.436000      0.3518000      0.1033000      0.5019000
  1 1 1      -2   -1   21 o    9.384000      0.2022000       9.449000 0.2857000       9.319000      0.2861000      0.1297000      0.4043000
  1 1 1      -2   -1   22 o    6.725000      0.2192000       6.738000 0.3126000       6.713000      0.3073000      0.2491000E-01  0.4383000
  1 1 1      -2   -1   23 o    9.231000      0.2120000       9.163000 0.3016000       9.299000      0.2979000     -0.1357000      0.4239000
  1 1 1      -2   -1   24 o    7.259000      0.2276000       7.840000 0.3164000       6.677000      0.3272000       1.164000      0.4551000
  1 1 1      -2   -1   25 o    9.866000      0.2202000       9.931000 0.3104000       9.802000      0.3125000      0.1289000      0.4405000
  1 1 1      -2   -1   26 o    15.27000      0.2542000       15.26000 0.3576000       15.28000      0.3613000     -0.2595000E-01  0.5083000
  1 1 1      -2   -1   27 f    6.648000      0.2515000       6.787000 0.3471000       6.509000      0.3640000      0.2773000      0.5030000
  1 1 1      -2   -1   28 o    7.688000      0.2475000       7.558000 0.3510000       7.819000      0.3491000     -0.2619000      0.4951000
  1 1 1      -2   -1   29 o    10.34000      0.3347000       10.51000 0.4928000       10.17000      0.4530000      0.3415000      0.6694000
  1 1 1      -2   -1   30 o    6.336000      0.2994000       6.481000 0.4205000       6.190000      0.4262000      0.2918000      0.5987000
  1 1 1      -2   -1   31 o    7.514000      0.2830000       7.366000 0.4121000       7.661000      0.3879000     -0.2946000      0.5660000
  1 1 1      -2   -1   32 o    10.12000      0.3816000       10.02000 0.5207000       10.23000      0.5580000     -0.2054000      0.7632000
  1 1 1      -2   -1   33 o    2.334000      0.6015000       2.591000 0.8566000       2.076000      0.8445000      0.5144000       1.203000
  1 1 1      -2   -1   34 o    8.128000      0.2879000       8.194000 0.4042000       8.062000      0.4100000      0.1318000      0.5757000
  1 1 1      -2   -1   35 o    8.896000      0.2831000       8.816000 0.4075000       8.977000      0.3930000     -0.1607000      0.5662000
  1 1 1      -2   -1   36 o    1.805000      0.5458000       1.919000 0.7967000       1.692000      0.7461000      0.2279000       1.092000
  1 1 1      -2   -1   37 o    3.224000      0.5758000       3.217000 0.8206000       3.231000      0.8079000     -0.1424000E-01   1.152000
  1 1 1      -2   -1   38 o    2.597000      0.5674000       3.288000 0.8050000       1.905000      0.7999000       1.383000       1.135000
  1 1 1      -2    0    2 o    27.06000      0.3637000       27.26000 0.5179000       26.87000      0.5108000      0.3952000      0.7274000
  1 1 1      -2    0    3 o    14.11000      0.2763000       14.08000 0.3898000       14.13000      0.3917000     -0.4957000E-01  0.5526000
  1 1 1      -2    0    4 o    19.52000      0.2663000       19.16000 0.3698000       19.88000      0.3834000     -0.7242000      0.5327000
  1 1 1      -2    0    5 o    8.286000      0.1310000       8.376000 0.1865000       8.196000      0.1841000      0.1794000      0.2621000
  1 1 1      -2    0    6 o    15.49000      0.2170000       15.62000 0.3092000       15.36000      0.3044000      0.2665000      0.4339000
  1 1 1      -2    0    7 o    13.78000      0.1974000       14.11000 0.2845000       13.44000      0.2739000      0.6639000      0.3949000
  1 1 1      -2    0    8 o    4.787000      0.1311000       5.056000 0.1832000       4.518000      0.1875000      0.5379000      0.2622000
  1 1 1      -2    0    9 o    15.11000      0.2168000       14.82000 0.3012000       15.41000      0.3120000     -0.5943000      0.4336000
  1 1 1      -2    0   10 o    14.83000      0.2156000       14.79000 0.3038000       14.87000      0.3061000     -0.7974000E-01  0.4313000
  1 1 1      -2    0   11 o    34.93000      0.4725000       35.27000 0.6749000       34.59000      0.6615000      0.6774000      0.9450000
  1 1 1      -2    0   12 o    14.38000      0.3014000       14.34000 0.4265000       14.41000      0.4259000     -0.6610000E-01  0.6027000
  1 1 1      -2    0   13 o    4.738000      0.1661000       4.805000 0.2301000       4.670000      0.2397000      0.1346000      0.3322000
  1 1 1      -2    0   14 o    6.801000      0.1644000       6.858000 0.2300000       6.744000      0.2350000      0.1135000      0.3288000
  1 1 1      -2    0   15 o    8.599000      0.2470000       8.951000 0.3426000       8.247000      0.3558000      0.7035000      0.4940000
  1 1 1      -2    0   16 o    9.166000      0.2577000       9.285000 0.3568000       9.047000      0.3720000      0.2374000      0.5155000
  1 1 1      -2    0   17 o    7.237000      0.1835000       7.335000 0.2616000       7.139000      0.2573000      0.1959000      0.3670000
  1 1 1      -2    0   18 o    5.219000      0.2219000       5.075000 0.3234000       5.364000      0.3040000     -0.2887000      0.4438000
  1 1 1      -2    0   19 o    1.532000      0.4020000       1.873000 0.6095000       1.191000      0.5243000      0.6821000      0.8040000
  1 1 1      -2    0   20 o    6.164000      0.2081000       6.212000 0.2955000       6.116000      0.2930000      0.9620000E-01  0.4162000
  1 1 1      -2    0   21 o    9.833000      0.2014000       9.570000 0.2828000       10.10000      0.2870000     -0.5265000      0.4029000
  1 1 1      -2    0   22 o    10.33000      0.2068000       10.48000 0.2963000       10.19000      0.2886000      0.2938000      0.4136000
  1 1 1      -2    0   23 o    7.897000      0.2142000       8.087000 0.3029000       7.708000      0.3029000      0.3789000      0.4284000
  1 1 1      -2    0   24 o    7.783000      0.2152000       7.859000 0.3030000       7.706000      0.3058000      0.1536000      0.4304000
  1 1 1      -2    0   25 o    5.362000      0.2618000       5.388000 0.3728000       5.335000      0.3677000      0.5365000E-01  0.5236000
  1 1 1      -2    0   26 o    6.228000      0.2546000       6.197000 0.3672000       6.258000      0.3528000     -0.6100000E-01  0.5092000
  1 1 1      -2    0   27 o    7.716000      0.2431000       7.815000 0.3422000       7.618000      0.3454000      0.1970000      0.4862000
  1 1 1      -2    0   28 o    2.723000      0.4727000       3.590000 0.6013000       1.856000      0.7294000       1.734000      0.9453000
  1 1 1      -2    0   29 o    6.853000      0.3614000       6.874000 0.5242000       6.832000      0.4976000      0.4179000E-01  0.7227000
  1 1 1      -2    0   30 o    7.867000      0.2628000       7.919000 0.3794000       7.814000      0.3637000      0.1042000      0.5256000
  1 1 1      -2    0   31 o    5.286000      0.3515000       5.336000 0.5020000       5.235000      0.4921000      0.1010000      0.7030000
  1 1 1      -2    0   32 o    10.61000      0.3767000       10.96000 0.5082000       10.26000      0.5561000      0.6998000      0.7533000
  1 1 1      -2    0   33 o    4.144000      0.4639000       4.412000 0.6400000       3.875000      0.6718000      0.5373000      0.9278000
  1 1 1      -2    0   34 o    8.693000      0.2813000       8.347000 0.4022000       9.039000      0.3934000     -0.6917000      0.5626000
  1 1 1      -2    0   35 f    2.357000      0.6022000       2.475000 0.8520000       2.240000      0.8513000      0.2346000       1.204000
  1 1 1      -2    0   36 o    2.963000      0.5474000       2.216000 0.8585000       3.711000      0.6793000      -1.495000       1.095000
  1 1 1      -2    0   37 o    4.539000      0.5208000       5.645000 0.5250000       3.432000      0.8996000       2.213000       1.042000
  1 1 1      -2    0   38 o    2.872000      0.5166000       1.759000 0.7644000       3.984000      0.6950000      -2.225000       1.033000
  1 1 1      -2    1    1 o    17.92000      0.2435000       17.95000 0.3448000       17.88000      0.3438000      0.6721000E-01  0.4870000
  1 1 1      -2    1    2 o    3.413000      0.1359000       3.491000 0.1878000       3.335000      0.1965000      0.1558000      0.2718000
  1 1 1      -2    1    3 o    13.79000      0.1925000       13.64000 0.2686000       13.94000      0.2757000     -0.3036000      0.3849000
  1 1 1      -2    1    4 o    8.416000      0.1298000       8.589000 0.1861000       8.243000      0.1811000      0.3462000      0.2596000
  1 1 1      -2    1    5 o    25.22000      0.3421000       25.51000 0.4900000       24.93000      0.4777000      0.5726000      0.6843000
  1 1 1      -2    1    6 o    33.84000      0.4553000       33.37000 0.6354000       34.31000      0.6521000     -0.9352000      0.9105000
  1 1 1      -2    1    7 o    26.93000      0.3653000       26.52000 0.5089000       27.35000      0.5242000     -0.8269000      0.7306000
  1 1 1      -2    1    8 f    20.80000      0.2867000       20.69000 0.4033000       20.92000      0.4076000     -0.2346000      0.5734000
  1 1 1      -2    1    9 o    14.38000      0.2079000       14.41000 0.2941000       14.34000      0.2940000      0.7368000E-01  0.4159000
  1 1 1      -2    1   10 o    18.07000      0.2547000       17.65000 0.3522000       18.49000      0.3681000     -0.8490000      0.5095000
  1 1 1      -2    1   11 o    26.04000      0.3566000       25.83000 0.5003000       26.25000      0.5082000     -0.4233000      0.7132000
  1 1 1      -2    1   12 o    5.933000      0.2194000       5.547000 0.3255000       6.318000      0.2943000     -0.7711000      0.4389000
  1 1 1      -2    1   13 o    7.052000      0.1583000       6.887000 0.2243000       7.217000      0.2233000     -0.3301000      0.3165000
  1 1 1      -2    1   14 o    1.494000      0.3639000       1.277000 0.5017000       1.711000      0.5273000     -0.4344000      0.7278000
  1 1 1      -2    1   15 o    7.073000      0.2457000       7.079000 0.3378000       7.068000      0.3570000      0.1155000E-01  0.4915000
  1 1 1      -2    1   16 o    11.29000      0.2754000       11.29000 0.2754000                  ?              ?              ?              ?
  1 1 1      -2    1   17 o    9.095000      0.1845000       8.844000 0.2617000       9.346000      0.2601000     -0.5020000      0.3690000
  1 1 1      -2    1   18 o    2.379000      0.5290000                  ?       ?   2.379000      0.5290000                  ?              ?
  1 1 1      -2    1   19 o    6.487000      0.1974000       6.445000 0.2822000       6.528000      0.2760000     -0.8306000E-01  0.3947000
  1 1 1      -2    1   20 o    4.005000      0.2709000       4.289000 0.3691000       3.722000      0.3966000      0.5668000      0.5418000
  1 1 1      -2    1   21 o    3.618000      0.2994000       3.557000 0.4318000       3.680000      0.4148000     -0.1225000      0.5987000
  1 1 1      -2    1   22 f    5.614000      0.2371000       5.516000 0.3421000       5.712000      0.3285000     -0.1956000      0.4743000
  1 1 1      -2    1   23 o    9.413000      0.2094000       9.456000 0.3006000       9.371000      0.2916000      0.8529000E-01  0.4188000
  1 1 1      -2    1   24 o    4.310000      0.3078000       4.256000 0.4419000       4.365000      0.4286000     -0.1084000      0.6156000
  1 1 1      -2    1   25 o    4.479000      0.3030000       4.689000 0.4263000       4.269000      0.4306000      0.4201000      0.6060000
  1 1 1      -2    1   26 o    8.000000      0.2323000       8.154000 0.3258000       7.846000      0.3314000      0.3082000      0.4647000
  1 1 1      -2    1   27 o    6.961000      0.2484000       7.051000 0.3657000       6.871000      0.3363000      0.1792000      0.4968000
  1 1 1      -2    1   28 o    3.665000      0.5144000       3.490000 0.8051000       3.839000      0.6406000     -0.3496000       1.029000
  1 1 1      -2    1   29 f    6.193000      0.3936000       6.412000 0.5705000       5.975000      0.5424000      0.4375000      0.7872000
  1 1 1      -2    1   30 o    5.850000      0.2990000       5.861000 0.4443000       5.839000      0.4002000      0.2231000E-01  0.5980000
  1 1 1      -2    1   31 o    2.694000      0.6804000       2.276000 0.9403000       3.112000      0.9836000     -0.8365000       1.361000
  1 1 1      -2    1   32 o    8.743000      0.3977000       8.568000 0.5660000       8.918000      0.5587000     -0.3505000      0.7953000
  1 1 1      -2    1   33 o    2.158000      0.5452000       2.825000 0.8433000       1.491000      0.6914000       1.334000       1.090000
  1 1 1      -2    1   34 o    5.173000      0.3824000       4.666000 0.5967000       5.680000      0.4785000      -1.014000      0.7649000
  1 1 1      -2    1   35 o    2.806000      0.6054000       2.698000 0.8590000       2.913000      0.8532000     -0.2154000       1.211000
  1 1 1      -2    1   36 o    2.025000      0.5408000       1.585000 0.7182000       2.464000      0.8086000     -0.8796000       1.082000
  1 1 1      -2    1   37 o    4.163000      0.4909000       3.518000 0.8172000       4.808000      0.5441000      -1.291000      0.9817000
  1 1 1      -2    1   38 o    3.946000      0.4990000       4.009000 0.6879000       3.883000      0.7231000      0.1257000      0.9981000
  1 1 1      -2    2    1 o    7.899000      0.1194000       7.900000 0.1691000       7.898000      0.1687000      0.1217000E-02  0.2389000
  1 1 1      -2    2    2 o    10.81000      0.1554000       10.91000 0.2216000       10.71000      0.2178000      0.2010000      0.3107000
  1 1 1      -2    2    3 o    12.51000      0.1779000       12.55000 0.2521000       12.46000      0.2510000      0.8530000E-01  0.3558000
  1 1 1      -2    2    4 o    20.51000      0.2803000       20.51000 0.3965000       20.51000      0.3964000      0.2111000E-02  0.5606000
  1 1 1      -2    2    5 o    22.89000      0.3124000       23.09000 0.4461000       22.68000      0.4374000      0.4110000      0.6248000
  1 1 1      -2    2    6 o    22.87000      0.3826000       22.92000 0.6252000       22.83000      0.4412000      0.8595000E-01  0.7652000
  1 1 1      -2    2    7 o    11.55000      0.1735000       11.80000 0.2476000       11.30000      0.2430000      0.4962000      0.3469000
  1 1 1      -2    2    8 o    20.02000      0.2780000       19.96000 0.3907000       20.08000      0.3955000     -0.1189000      0.5559000
  1 1 1      -2    2    9 o    8.352000      0.1468000       8.303000 0.2061000       8.401000      0.2091000     -0.9847000E-01  0.2936000
  1 1 1      -2    2   10 o    14.15000      0.2082000       14.18000 0.2948000       14.12000      0.2941000      0.6220000E-01  0.4165000
  1 1 1      -2    2   11 o    1.849000      0.3909000       1.759000 0.5588000       1.938000      0.5469000     -0.1797000      0.7819000
  1 1 1      -2    2   12 o    8.036000      0.1574000       8.117000 0.2253000       7.955000      0.2197000      0.1628000      0.3148000
  1 1 1      -2    2   13 o    6.127000      0.1603000       6.202000 0.2300000       6.053000      0.2233000      0.1482000      0.3206000
  1 1 1      -2    2   14 o    11.84000      0.2722000       11.58000 0.3768000       12.10000      0.3930000     -0.5147000      0.5444000
  1 1 1      -2    2   15 o    6.246000      0.2478000       6.269000 0.3378000       6.223000      0.3627000      0.4622000E-01  0.4957000
  1 1 1      -2    2   16 o    1.668000      0.5535000       1.668000 0.5535000                  ?              ?              ?              ?
  1 1 1      -2    2   17 o    6.827000      0.1853000       6.976000 0.2630000       6.678000      0.2610000      0.2978000      0.3705000
  1 1 1      -2    2   18 o    9.337000      0.2669000                  ?       ?   9.337000      0.2669000                  ?              ?
  1 1 1      -2    2   19 o    17.39000      0.2619000       17.37000 0.3704000       17.41000      0.3704000     -0.4073000E-01  0.5238000
  1 1 1      -2    2   20 f    3.501000      0.3023000       3.858000 0.3987000       3.143000      0.4545000      0.7147000      0.6046000
  1 1 1      -2    2   21 o    3.571000      0.3064000       3.665000 0.4402000       3.477000      0.4265000      0.1874000      0.6129000
  1 1 1      -2    2   22 o    3.765000      0.3194000       3.558000 0.4829000       3.972000      0.4181000     -0.4135000      0.6388000
  1 1 1      -2    2   23 o    9.494000      0.2101000       9.630000 0.2988000       9.358000      0.2955000      0.2719000      0.4202000
  1 1 1      -2    2   24 o    11.38000      0.2196000       11.67000 0.3146000       11.09000      0.3063000      0.5771000      0.4391000
  1 1 1      -2    2   25 o    5.867000      0.2521000       6.217000 0.3486000       5.518000      0.3643000      0.6990000      0.5042000
  1 1 1      -2    2   26 o    7.204000      0.2329000       7.325000 0.3281000       7.084000      0.3307000      0.2404000      0.4658000
  1 1 1      -2    2   27 o    4.508000      0.3739000       3.754000 0.5577000       5.261000      0.4983000      -1.508000      0.7479000
  1 1 1      -2    2   28 o    7.635000      0.3313000       7.404000 0.5062000       7.866000      0.4276000     -0.4619000      0.6626000
  1 1 1      -2    2   29 o    4.648000      0.3521000       4.203000 0.5445000       5.093000      0.4467000     -0.8900000      0.7043000
  1 1 1      -2    2   30 o    10.74000      0.2447000       10.44000 0.3502000       11.04000      0.3418000     -0.5984000      0.4894000
  1 1 1      -2    2   31 o    5.277000      0.5377000       5.853000 0.7182000       4.701000      0.8004000       1.152000       1.075000
  1 1 1      -2    2   32 o    4.923000      0.4032000       4.243000 0.6545000       5.602000      0.4711000      -1.359000      0.8064000
  1 1 1      -2    2   33 o    3.076000      0.5561000       2.805000 0.8348000       3.347000      0.7351000     -0.5418000       1.112000
  1 1 1      -2    2   34 o    3.025000      0.5308000       2.172000 0.8328000       3.878000      0.6585000      -1.706000       1.062000
  1 1 1      -2    2   35 o    7.263000      0.2968000       7.446000 0.4216000       7.079000      0.4179000      0.3668000      0.5936000
  1 1 1      -2    2   36 o    2.994000      0.5698000       2.652000 0.8404000       3.337000      0.7698000     -0.6856000       1.140000
  1 1 1      -2    2   37 o    1.590000      0.5070000       1.598000 0.7216000       1.583000      0.7124000      0.1508000E-01   1.014000
  1 1 1      -2    2   38 o    5.961000      0.3395000       6.191000 0.4765000       5.730000      0.4837000      0.4609000      0.6790000
  1 1 1      -2    3    1 o    25.31000      0.3406000       25.25000 0.4805000       25.37000      0.4829000     -0.1192000      0.6813000
  1 1 1      -2    3    2 f    10.86000      0.1571000       10.89000 0.2226000       10.82000      0.2219000      0.7369000E-01  0.3143000
  1 1 1      -2    3    3 o    17.98000      0.2476000       17.85000 0.3478000       18.10000      0.3524000     -0.2459000      0.4951000
  1 1 1      -2    3    4 o    14.16000      0.2007000       14.22000 0.2852000       14.10000      0.2825000      0.1215000      0.4014000
  1 1 1      -2    3    5 o    7.763000      0.1344000       7.726000 0.1895000       7.799000      0.1907000     -0.7265000E-01  0.2689000
  1 1 1      -2    3    6 o    14.38000      0.2064000       14.44000 0.2928000       14.32000      0.2909000      0.1190000      0.4127000
  1 1 1      -2    3    7 o    21.35000      0.2951000       21.16000 0.4140000       21.54000      0.4205000     -0.3754000      0.5901000
  1 1 1      -2    3    8 o    16.30000      0.2329000       16.15000 0.3265000       16.46000      0.3321000     -0.3078000      0.4657000
  1 1 1      -2    3    9 f    8.604000      0.2185000       8.462000 0.3023000       8.746000      0.3157000     -0.2848000      0.4371000
  1 1 1      -2    3   10 o    12.27000      0.2684000       12.21000 0.3749000       12.34000      0.3841000     -0.1260000      0.5367000
  1 1 1      -2    3   11 o    18.70000      0.2657000       18.79000 0.3761000       18.60000      0.3754000      0.1897000      0.5314000
  1 1 1      -2    3   12 o    10.00000      0.1749000       10.01000 0.2433000       10.00000      0.2512000      0.4003000E-02  0.3497000
  1 1 1      -2    3   13 o    9.382000      0.2420000       9.467000 0.3386000       9.298000      0.3457000      0.1692000      0.4839000
  1 1 1      -2    3   14 o    9.411000      0.2482000       8.846000 0.3389000       9.975000      0.3627000      -1.129000      0.4964000
  1 1 1      -2    3   15 o    16.67000      0.3037000       16.66000 0.3477000       16.67000      0.4980000     -0.1645000E-01  0.6074000
  1 1 1      -2    3   16 o    13.68000      0.2162000       13.91000 0.3090000       13.45000      0.3025000      0.4619000      0.4325000
  1 1 1      -2    3   17 o    2.588000      0.3260000       2.460000 0.4825000       2.717000      0.4384000     -0.2571000      0.6520000
  1 1 1      -2    3   18 o    8.795000      0.1844000       8.338000 0.2564000       9.252000      0.2652000     -0.9135000      0.3689000
  1 1 1      -2    3   19 o    8.341000      0.1899000       8.224000 0.2697000       8.458000      0.2675000     -0.2336000      0.3799000
  1 1 1      -2    3   20 o    5.852000      0.2100000       5.987000 0.2956000       5.717000      0.2984000      0.2700000      0.4200000
  1 1 1      -2    3   21 o    7.159000      0.1992000       7.200000 0.2817000       7.118000      0.2818000      0.8211000E-01  0.3984000
  1 1 1      -2    3   22 o    3.209000      0.3602000       3.292000 0.5035000       3.126000      0.5153000      0.1662000      0.7205000
  1 1 1      -2    3   23 o    3.281000      0.3595000       3.391000 0.5046000       3.170000      0.5122000      0.2213000      0.7190000
  1 1 1      -2    3   24 o    12.11000      0.2230000       12.22000 0.3172000       11.99000      0.3136000      0.2257000      0.4460000
  1 1 1      -2    3   25 o    4.073000      0.3266000       4.263000 0.4587000       3.883000      0.4650000      0.3798000      0.6532000
  1 1 1      -2    3   26 o    6.530000      0.2379000       6.740000 0.3387000       6.320000      0.3342000      0.4201000      0.4758000
  1 1 1      -2    3   27 o    1.971000      0.5487000       2.340000 0.8383000       1.602000      0.7083000      0.7386000       1.097000
  1 1 1      -2    3   28 o    11.44000      0.2370000       11.71000 0.3406000       11.17000      0.3296000      0.5395000      0.4740000
  1 1 1      -2    3   29 o    4.002000      0.3965000       3.612000 0.6070000       4.392000      0.5102000     -0.7800000      0.7929000
  1 1 1      -2    3   30 o    4.949000      0.5226000       4.593000 0.7442000       5.305000      0.7340000     -0.7118000       1.045000
  1 1 1      -2    3   31 o    8.338000      0.2657000       8.475000 0.3828000       8.202000      0.3684000      0.2725000      0.5313000
  1 1 1      -2    3   32 o    1.771000      0.5240000       1.668000 0.7259000       1.874000      0.7559000     -0.2056000       1.048000
  1 1 1      -2    3   33 o    2.006000      0.5538000       1.769000 0.7559000       2.244000      0.8096000     -0.4748000       1.108000
  1 1 1      -2    3   34 o    3.846000      0.5135000       4.913000 0.5615000       2.778000      0.8599000       2.135000       1.027000
  1 1 1      -2    3   35 o    6.473000      0.3212000       6.509000 0.4708000       6.437000      0.4372000      0.7200000E-01  0.6425000
  1 1 1      -2    3   36 o    3.098000      0.5408000       2.340000 0.8273000       3.857000      0.6968000      -1.518000       1.082000
  1 1 1      -2    3   37 o    1.643000      0.5167000       1.514000 0.6999000       1.772000      0.7602000     -0.2586000       1.033000
  1 1 1      -2    3   38 o    2.661000      0.7099000       2.695000 1.013000       2.628000      0.9949000      0.6787000E-01   1.420000
  1 1 1      -2    4    1 o    3.954000      0.1492000       3.921000 0.2202000       3.987000      0.2013000     -0.6677000E-01  0.2984000
  1 1 1      -2    4    2 o    14.04000      0.1965000       14.01000 0.2775000       14.06000      0.2782000     -0.4815000E-01  0.3929000
  1 1 1      -2    4    3 o    18.58000      0.2554000       18.54000 0.3606000       18.61000      0.3617000     -0.7061000E-01  0.5107000
  1 1 1      -2    4    4 o    11.95000      0.1751000       12.08000 0.2497000       11.81000      0.2455000      0.2764000      0.3502000
  1 1 1      -2    4    5 o    16.09000      0.2268000       16.10000 0.3212000       16.08000      0.3203000      0.2176000E-01  0.4536000
  1 1 1      -2    4    6 o    23.70000      0.3245000       23.88000 0.4624000       23.52000      0.4554000      0.3688000      0.6490000
  1 1 1      -2    4    7 o    6.158000      0.1733000       5.969000 0.1974000       6.347000      0.2849000     -0.3787000      0.3467000
  1 1 1      -2    4   10 o    3.042000      0.2230000       3.089000 0.3035000       2.995000      0.3268000      0.9363000E-01  0.4460000
  1 1 1      -2    4   11 o    17.98000      0.2586000       17.87000 0.3631000       18.09000      0.3682000     -0.2264000      0.5171000
  1 1 1      -2    4   12 o    2.787000      0.3705000       2.919000 0.4606000       2.654000      0.5805000      0.2650000      0.7410000
  1 1 1      -2    4   13 o    14.56000      0.3126000       14.40000 0.4373000       14.72000      0.4468000     -0.3191000      0.6252000
  1 1 1      -2    4   14 o    7.967000      0.1703000       7.804000 0.2348000       8.131000      0.2468000     -0.3270000      0.3406000
  1 1 1      -2    4   15 o    6.515000      0.1836000       6.383000 0.2511000       6.647000      0.2679000     -0.2643000      0.3672000
  1 1 1      -2    4   16 o    4.688000      0.2128000       4.555000 0.2874000       4.821000      0.3138000     -0.2659000      0.4255000
  1 1 1      -2    4   17 o    8.437000      0.1894000       8.041000 0.2613000       8.834000      0.2743000     -0.7932000      0.3789000
  1 1 1      -2    4   18 o    4.942000      0.2775000       5.179000 0.4358000       4.705000      0.3438000      0.4739000      0.5551000
  1 1 1      -2    4   19 o    3.421000      0.3196000       3.569000 0.4024000       3.274000      0.4966000      0.2950000      0.6392000
  1 1 1      -2    4   20 o    6.564000      0.2134000       6.513000 0.2869000       6.616000      0.3160000     -0.1030000      0.4268000
  1 1 1      -2    4   21 o    8.451000      0.2086000       8.939000 0.2766000       7.962000      0.3123000      0.9766000      0.4172000
  1 1 1      -2    4   22 o    3.492000      0.3648000       3.651000 0.4477000       3.332000      0.5761000      0.3192000      0.7296000
  1 1 1      -2    4   23 o    9.214000      0.2177000       9.402000 0.2942000       9.026000      0.3209000      0.3757000      0.4354000
  1 1 1      -2    4   24 o    5.741000      0.2628000       5.447000 0.3668000       6.036000      0.3764000     -0.5888000      0.5256000
  1 1 1      -2    4   25 o    9.312000      0.2746000       8.916000 0.4395000       9.708000      0.3293000     -0.7922000      0.5492000
  1 1 1      -2    4   26 o    3.033000      0.6070000       2.951000 0.8168000       3.115000      0.8982000     -0.1641000       1.214000
  1 1 1      -2    4   27 o    7.656000      0.3617000       7.937000 0.4492000       7.376000      0.5671000      0.5616000      0.7234000
  1 1 1      -2    4   28 o    3.518000      0.4452000       4.295000 0.4741000       2.741000      0.7536000       1.554000      0.8904000
  1 1 1      -2    4   29 o    2.955000      0.6644000       3.013000 0.9195000       2.897000      0.9593000      0.1153000       1.329000
  1 1 1      -2    4   30 o    6.032000      0.4306000       6.055000 0.5793000       6.010000      0.6371000      0.4562000E-01  0.8611000
  1 1 1      -2    4   31 o    5.104000      0.3789000       5.166000 0.4920000       5.041000      0.5763000      0.1247000      0.7578000
  1 1 1      -2    4   32 o    3.796000      0.5240000       3.957000 0.6292000       3.636000      0.8380000      0.3210000       1.048000
  1 1 1      -2    4   33 o    3.007000      0.5990000       2.756000 0.7901000       3.258000      0.9005000     -0.5028000       1.198000
  1 1 1      -2    4   34 o    4.214000      0.5284000       4.803000 0.5608000       3.625000      0.8957000       1.178000       1.057000
  1 1 1      -2    4   35 o    6.966000      0.3467000       6.511000 0.4738000       7.421000      0.5064000     -0.9099000      0.6935000
  1 1 1      -2    4   36 o    2.292000      0.5807000       1.820000 0.7649000       2.764000      0.8740000     -0.9436000       1.161000
  1 1 1      -2    4   37 o    2.929000      0.5870000       3.340000 0.7953000       2.519000      0.8635000      0.8212000       1.174000
  1 1 1      -2    5    1 o    14.66000      0.2043000       14.86000 0.2930000       14.45000      0.2849000      0.4163000      0.4087000
  1 1 1      -2    5    2 o    18.01000      0.2473000       17.88000 0.3475000       18.15000      0.3518000     -0.2653000      0.4945000
  1 1 1      -2    5    3 o    15.54000      0.2173000       15.43000 0.3054000       15.66000      0.3093000     -0.2319000      0.4347000
  1 1 1      -2    5    4 o    24.58000      0.3342000       24.81000 0.4769000       24.35000      0.4684000      0.4645000      0.6685000
  1 1 1      -2    5    5 o    18.06000      0.2517000       18.09000 0.3565000       18.03000      0.3554000      0.6151000E-01  0.5034000
  1 1 1      -2    5    6 o    6.837000      0.1364000       6.868000 0.1945000       6.806000      0.1913000      0.6158000E-01  0.2728000
  1 1 1      -2    5    7 o    16.02000      0.3229000       16.31000 0.4625000       15.74000      0.4506000      0.5707000      0.6457000
  1 1 1      -2    5    8 o    22.03000      0.3054000       21.71000 0.4263000       22.35000      0.4373000     -0.6380000      0.6107000
  1 1 1      -2    5    9 o    14.76000      0.2183000       14.94000 0.3128000       14.58000      0.3046000      0.3652000      0.4366000
  1 1 1      -2    5   10 o    14.44000      0.3066000       14.88000 0.4454000       14.00000      0.4214000      0.8752000      0.6132000
  1 1 1      -2    5   11 o    17.37000      0.3575000       17.36000 0.5072000       17.39000      0.5038000     -0.2600000E-01  0.7149000
  1 1 1      -2    5   12 o    21.88000      0.3079000       21.85000 0.4348000       21.91000      0.4360000     -0.6497000E-01  0.6157000
  1 1 1      -2    5   13 f    7.045000      0.1785000       7.096000 0.2537000       6.994000      0.2513000      0.1022000      0.3571000
  1 1 1      -2    5   14 o    11.61000      0.1988000       11.63000 0.2807000       11.59000      0.2816000      0.4256000E-01  0.3976000
  1 1 1      -2    5   15 o    7.482000      0.1806000       7.556000 0.2495000       7.409000      0.2613000      0.1471000      0.3612000
  1 1 1      -2    5   16 o    13.96000      0.2219000       13.46000 0.3019000       14.46000      0.3252000      -1.001000      0.4438000
  1 1 1      -2    5   17 o    11.92000      0.2065000       11.57000 0.2830000       12.28000      0.3008000     -0.7090000      0.4130000
  1 1 1      -2    5   18 o    5.301000      0.2202000       4.831000 0.3089000       5.770000      0.3138000     -0.9398000      0.4403000
  1 1 1      -2    5   19 o    4.801000      0.2489000       4.461000 0.3478000       5.141000      0.3562000     -0.6796000      0.4978000
  1 1 1      -2    5   20 o    2.446000      0.4165000       3.004000 0.4956000       1.889000      0.6695000       1.116000      0.8330000
  1 1 1      -2    5   21 o    3.237000      0.3610000       3.507000 0.4342000       2.967000      0.5770000      0.5405000      0.7221000
  1 1 1      -2    5   22 o    5.862000      0.2421000       5.786000 0.3281000       5.939000      0.3561000     -0.1533000      0.4842000
  1 1 1      -2    5   23 o    14.06000      0.2431000       14.32000 0.3400000       13.80000      0.3474000      0.5177000      0.4861000
  1 1 1      -2    5   24 o    11.04000      0.2273000       10.92000 0.3131000       11.16000      0.3295000     -0.2444000      0.4545000
  1 1 1      -2    5   25 o    2.293000      0.5765000       2.764000 0.8259000       1.823000      0.8047000      0.9415000       1.153000
  1 1 1      -2    5   26 o    3.652000      0.5551000       4.330000 0.6031000       2.974000      0.9320000       1.356000       1.110000
  1 1 1      -2    5   27 o    5.214000      0.3178000       4.936000 0.4247000       5.493000      0.4729000     -0.5572000      0.6356000
  1 1 1      -2    5   28 o    5.571000      0.4332000       5.081000 0.6344000       6.061000      0.5900000     -0.9796000      0.8664000
  1 1 1      -2    5   29 o    3.156000      0.6511000       3.220000 0.9543000       3.091000      0.8859000      0.1291000       1.302000
  1 1 1      -2    5   30 o    4.128000      0.4456000       4.131000 0.5609000       4.125000      0.6926000      0.6371000E-02  0.8913000
  1 1 1      -2    5   31 o    4.960000      0.3916000       5.154000 0.4777000       4.767000      0.6205000      0.3866000      0.7831000
  1 1 1      -2    5   32 o    4.349000      0.5019000       4.930000 0.5192000       3.767000      0.8590000       1.163000       1.004000
  1 1 1      -2    5   33 o    3.023000      0.5684000       3.730000 0.6785000       2.316000      0.9120000       1.414000       1.137000
  1 1 1      -2    5   34 o    3.020000      0.6180000       3.091000 0.7809000       2.949000      0.9581000      0.1419000       1.236000
  1 1 1      -2    5   35 o    4.277000      0.4683000       4.408000 0.5901000       4.146000      0.7274000      0.2624000      0.9366000
  1 1 1      -2    5   36 o    2.537000      0.6076000       2.472000 0.8463000       2.602000      0.8721000     -0.1300000       1.215000
  1 1 1      -2    5   37 o    2.137000      0.5730000       1.822000 0.7679000       2.451000      0.8507000     -0.6285000       1.146000
  1 1 1      -2    6    1 o    24.38000      0.3309000       24.93000 0.4784000       23.84000      0.4572000       1.095000      0.6617000
  1 1 1      -2    6    2 o    13.02000      0.1866000       13.19000 0.2673000       12.85000      0.2603000      0.3399000      0.3731000
  1 1 1      -2    6    3 o    17.66000      0.2445000       17.69000 0.3466000       17.63000      0.3450000      0.5786000E-01  0.4890000
  1 1 1      -2    6    4 o    10.48000      0.2258000       10.97000 0.3281000       10.00000      0.3103000      0.9676000      0.4516000
  1 1 1      -2    6    5 o    19.98000      0.3896000       20.16000 0.5549000       19.81000      0.5471000      0.3526000      0.7792000
  1 1 1      -2    6    6 o    27.44000      0.3730000       27.34000 0.5253000       27.54000      0.5296000     -0.2050000      0.7460000
  1 1 1      -2    6    7 o    6.193000      0.1826000       6.117000 0.3035000       6.269000      0.2031000     -0.1516000      0.3652000
  1 1 1      -2    6    8 o    41.83000      0.5629000       42.24000 0.8038000       41.41000      0.7881000      0.8296000       1.126000
  1 1 1      -2    6    9 o    11.01000      0.2574000       11.56000 0.3788000       10.45000      0.3485000       1.103000      0.5147000
  1 1 1      -2    6   10 o    10.29000      0.2504000       10.66000 0.3663000       9.913000      0.3415000      0.7486000      0.5008000
  1 1 1      -2    6   11 o    18.85000      0.2707000       19.01000 0.3859000       18.69000      0.3799000      0.3180000      0.5415000
  1 1 1      -2    6   12 o    10.41000      0.1845000       10.47000 0.2608000       10.34000      0.2611000      0.1231000      0.3690000
  1 1 1      -2    6   13 o    16.94000      0.2504000       17.03000 0.3561000       16.84000      0.3522000      0.1904000      0.5008000
  1 1 1      -2    6   14 o    2.652000      0.3418000       2.596000 0.4746000       2.707000      0.4921000     -0.1109000      0.6837000
  1 1 1      -2    6   15 o    10.05000      0.1914000       10.16000 0.2683000       9.940000      0.2732000      0.2219000      0.3829000
  1 1 1      -2    6   16 o    11.73000      0.2047000       11.77000 0.2872000       11.69000      0.2916000      0.8289000E-01  0.4093000
  1 1 1      -2    6   17 o    5.997000      0.2753000       5.997000 0.2753000                  ?              ?              ?              ?
  1 1 1      -2    6   18 o    1.511000      0.4211000       1.372000 0.5558000       1.651000      0.6328000     -0.2797000      0.8422000
  1 1 1      -2    6   19 o    9.537000      0.2983000                  ?       ?   9.537000      0.2983000                  ?              ?
  1 1 1      -2    6   20 o    6.333000      0.2209000       6.345000 0.3033000       6.322000      0.3212000      0.2315000E-01  0.4418000
  1 1 1      -2    6   21 o    8.638000      0.2143000       8.793000 0.2990000       8.483000      0.3070000      0.3095000      0.4286000
  1 1 1      -2    6   22 o    7.277000      0.2258000       6.699000 0.3209000       7.855000      0.3178000      -1.156000      0.4517000
  1 1 1      -2    6   23 o    3.104000      0.4041000       3.123000 0.5352000       3.085000      0.6056000      0.3799000E-01  0.8081000
  1 1 1      -2    6   24 o    5.117000      0.4018000       5.169000 0.4840000       5.064000      0.6415000      0.1042000      0.8036000
  1 1 1      -2    6   25 o    11.35000      0.3257000       11.47000 0.4500000       11.22000      0.4710000      0.2432000      0.6514000
  1 1 1      -2    6   26 o    11.55000      0.2378000       11.28000 0.3211000       11.83000      0.3510000     -0.5539000      0.4757000
  1 1 1      -2    6   27 o    5.535000      0.4176000       5.642000 0.6176000       5.428000      0.5621000      0.2136000      0.8351000
  1 1 1      -2    6   28 o    4.203000      0.5617000       4.079000 0.7703000       4.327000      0.8179000     -0.2475000       1.123000
  1 1 1      -2    6   29 o    4.697000      0.3795000       4.722000 0.4830000       4.672000      0.5855000      0.4960000E-01  0.7590000
  1 1 1      -2    6   30 o    3.003000      0.5581000       3.081000 0.7228000       2.925000      0.8505000      0.1562000       1.116000
  1 1 1      -2    6   31 o    2.211000      0.5698000       2.433000 0.8020000       1.988000      0.8097000      0.4445000       1.140000
  1 1 1      -2    6   32 o    7.468000      0.3183000       7.491000 0.4129000       7.445000      0.4846000      0.4609000E-01  0.6366000
  1 1 1      -2    6   33 o    3.763000      0.5343000       3.087000 0.7745000       4.439000      0.7362000      -1.352000       1.069000
  1 1 1      -2    6   34 o    2.203000      0.5789000       2.552000 0.8185000       1.855000      0.8189000      0.6971000       1.158000
  1 1 1      -2    6   35 o    1.997000      0.5753000       1.902000 0.7821000       2.093000      0.8438000     -0.1912000       1.151000
  1 1 1      -2    6   36 o    1.784000      0.5507000       1.879000 0.7997000       1.690000      0.7573000      0.1894000       1.101000
  1 1 1      -2    6   37 o    2.679000      0.5919000       2.875000 0.8215000       2.483000      0.8524000      0.3916000       1.184000
  1 1 1      -2    7    1 o    14.98000      0.3067000       14.94000 0.4402000       15.02000      0.4272000     -0.8048000E-01  0.6134000
  1 1 1      -2    7    2 o    12.79000      0.2689000       12.12000 0.3733000       13.47000      0.3873000      -1.348000      0.5379000
  1 1 1      -2    7    3 o    25.11000      0.4822000       26.00000 0.7059000       24.21000      0.6572000       1.795000      0.9645000
  1 1 1      -2    7    4 o    14.49000      0.2069000       14.33000 0.2899000       14.65000      0.2953000     -0.3220000      0.4139000
  1 1 1      -2    7    5 o    19.05000      0.3282000       19.74000 0.5481000       18.36000      0.3611000       1.382000      0.6564000
  1 1 1      -2    7    6 o    20.70000      0.4072000       21.14000 0.5875000       20.26000      0.5639000      0.8738000      0.8143000
  1 1 1      -2    7    7 o    17.97000      0.3610000       17.07000 0.4901000       18.88000      0.5303000      -1.810000      0.7221000
  1 1 1      -2    7    8 o    24.83000      0.4841000       24.47000 0.6759000       25.19000      0.6931000     -0.7206000      0.9681000
  1 1 1      -2    7    9 o    10.30000      0.2178000       10.58000 0.3623000       10.03000      0.2419000      0.5500000      0.4357000
  1 1 1      -2    7   10 o    11.30000      0.1862000       11.45000 0.2654000       11.14000      0.2613000      0.3132000      0.3724000
  1 1 1      -2    7   11 o    15.27000      0.2290000       15.07000 0.3210000       15.47000      0.3266000     -0.4000000      0.4579000
  1 1 1      -2    7   12 o    5.125000      0.1885000       4.999000 0.2656000       5.251000      0.2677000     -0.2521000      0.3771000
  1 1 1      -2    7   13 o    11.94000      0.2000000       11.75000 0.2806000       12.13000      0.2850000     -0.3752000      0.4000000
  1 1 1      -2    7   14 o    13.65000      0.2170000       13.60000 0.3059000       13.70000      0.3080000     -0.9681000E-01  0.4341000
  1 1 1      -2    7   15 o    7.631000      0.1846000       7.631000 0.2616000       7.630000      0.2604000      0.1467000E-02  0.3691000
  1 1 1      -2    7   16 o    3.702000      0.2688000       3.702000 0.3618000       3.703000      0.3977000     -0.4852000E-03  0.5376000
  1 1 1      -2    7   17 o    2.552000      0.5408000       2.552000 0.5408000                  ?              ?              ?              ?
  1 1 1      -2    7   18 o    7.645000      0.2064000       7.489000 0.2923000       7.802000      0.2916000     -0.3123000      0.4129000
  1 1 1      -2    7   19 o    13.14000      0.3208000                  ?       ?   13.14000      0.3208000                  ?              ?
  1 1 1      -2    7   20 o    5.274000      0.2408000       5.239000 0.3294000       5.308000      0.3514000     -0.6870000E-01  0.4816000
  1 1 1      -2    7   21 o    7.097000      0.2243000       7.505000 0.3003000       6.689000      0.3331000      0.8160000      0.4485000
  1 1 1      -2    7   22 o    12.58000      0.2284000       12.26000 0.3129000       12.90000      0.3328000     -0.6484000      0.4568000
  1 1 1      -2    7   23 o    3.536000      0.5280000       4.427000 0.5800000       2.646000      0.8824000       1.780000       1.056000
  1 1 1      -2    7   24 o    5.925000      0.3781000       4.986000 0.5428000       6.865000      0.5265000      -1.879000      0.7562000
  1 1 1      -2    7   25 o    10.21000      0.2295000       10.21000 0.3133000       10.21000      0.3355000      0.3859000E-02  0.4590000
  1 1 1      -2    7   26 o    9.532000      0.3391000       8.819000 0.4810000       10.25000      0.4780000      -1.427000      0.6782000
  1 1 1      -2    7   27 o    2.011000      0.5890000       1.901000 0.8130000       2.122000      0.8525000     -0.2209000       1.178000
  1 1 1      -2    7   28 o    7.765000      0.2664000       7.930000 0.3481000       7.600000      0.4033000      0.3304000      0.5327000
  1 1 1      -2    7   29 o    4.907000      0.3659000       4.647000 0.5053000       5.167000      0.5294000     -0.5195000      0.7318000
  1 1 1      -2    7   30 o    2.837000      0.5544000       3.050000 0.6967000       2.624000      0.8626000      0.4260000       1.109000
  1 1 1      -2    7   31 o    4.328000      0.4454000       4.147000 0.5879000       4.509000      0.6694000     -0.3619000      0.8909000
  1 1 1      -2    7   32 o    10.56000      0.2756000       10.85000 0.3632000       10.27000      0.4147000      0.5852000      0.5512000
  1 1 1      -2    7   33 f    3.072000      0.5615000       3.806000 0.6509000       2.339000      0.9152000       1.467000       1.123000
  1 1 1      -2    7   34 o    2.383000      0.5904000       2.731000 0.8249000       2.036000      0.8447000      0.6942000       1.181000
  1 1 1      -2    7   35 o    5.095000      0.4044000       4.824000 0.5525000       5.365000      0.5907000     -0.5419000      0.8088000
  1 1 1      -2    7   36 o    2.709000      0.6006000       2.803000 0.8275000       2.614000      0.8706000      0.1885000       1.201000
  1 1 1      -2    7   37 o    3.230000      0.5586000       2.776000 0.8275000       3.683000      0.7506000     -0.9071000       1.117000
  1 1 1      -2    8    1 o    26.43000      0.4424000       26.85000 0.7281000       26.00000      0.5027000      0.8582000      0.8848000
  1 1 1      -2    8    2 o    20.74000      0.2874000       21.05000 0.4140000       20.43000      0.3986000      0.6198000      0.5747000
  1 1 1      -2    8    3 o    28.53000      0.5464000       28.11000 0.7612000       28.95000      0.7842000     -0.8458000       1.093000
  1 1 1      -2    8    4 o    45.75000      0.8678000       46.35000 1.243000       45.15000       1.212000       1.201000       1.736000
  1 1 1      -2    8    5 o    26.31000      0.5079000       26.86000 0.7324000       25.75000      0.7037000       1.111000       1.016000
  1 1 1      -2    8    6 o    42.68000      0.5731000       42.77000 0.8124000       42.59000      0.8086000      0.1794000       1.146000
  1 1 1      -2    8    7 o    18.96000      0.2659000       18.94000 0.3759000       18.98000      0.3762000     -0.3913000E-01  0.5318000
  1 1 1      -2    8    8 o    21.18000      0.2955000       21.31000 0.4199000       21.05000      0.4160000      0.2595000      0.5910000
  1 1 1      -2    8    9 o    13.59000      0.2060000       13.48000 0.2901000       13.70000      0.2924000     -0.2255000      0.4119000
  1 1 1      -2    8   10 o    6.437000      0.1933000       6.683000 0.3080000       6.191000      0.2337000      0.4920000      0.3866000
  1 1 1      -2    8   11 o    15.49000      0.2309000       15.58000 0.3286000       15.40000      0.3245000      0.1799000      0.4618000
  1 1 1      -2    8   12 o    4.266000      0.2133000       4.413000 0.2983000       4.118000      0.3049000      0.2947000      0.4265000
  1 1 1      -2    8   13 o    6.337000      0.1828000       6.236000 0.2599000       6.439000      0.2573000     -0.2035000      0.3657000
  1 1 1      -2    8   14 o    9.650000      0.2223000       9.974000 0.3597000       9.326000      0.2612000      0.6480000      0.4445000
  1 1 1      -2    8   15 o    3.873000      0.2508000       3.995000 0.3590000       3.752000      0.3502000      0.2431000      0.5015000
  1 1 1      -2    8   16 o    5.489000      0.2141000       5.518000 0.2973000       5.459000      0.3081000      0.5907000E-01  0.4281000
  1 1 1      -2    8   17 o    9.784000      0.2042000       9.666000 0.2879000       9.901000      0.2898000     -0.2355000      0.4085000
  1 1 1      -2    8   18 o    11.87000      0.2171000       12.09000 0.3093000       11.66000      0.3047000      0.4247000      0.4342000
  1 1 1      -2    8   19 o    1.409000      0.4238000       1.294000 0.5746000       1.524000      0.6230000     -0.2303000      0.8475000
  1 1 1      -2    8   20 o    9.507000      0.2167000       9.443000 0.3105000       9.571000      0.3025000     -0.1278000      0.4335000
  1 1 1      -2    8   21 o    2.467000      0.4606000       2.356000 0.6703000       2.578000      0.6318000     -0.2217000      0.9211000
  1 1 1      -2    8   22 o    6.471000      0.3483000       6.266000 0.4725000       6.677000      0.5120000     -0.4119000      0.6967000
  1 1 1      -2    8   23 f    9.272000      0.2236000       8.736000 0.3018000       9.808000      0.3298000      -1.072000      0.4471000
  1 1 1      -2    8   24 o    7.904000      0.2352000       7.889000 0.3139000       7.920000      0.3504000     -0.3111000E-01  0.4704000
  1 1 1      -2    8   25 o    3.674000      0.5793000       4.202000 0.7407000       3.146000      0.8909000       1.055000       1.159000
  1 1 1      -2    8   26 f    8.637000      0.3439000       8.432000 0.4834000       8.841000      0.4892000     -0.4090000      0.6877000
  1 1 1      -2    8   27 o    3.342000      0.4778000       3.278000 0.6385000       3.406000      0.7110000     -0.1285000      0.9556000
  1 1 1      -2    8   28 o    1.934000      0.5341000       1.768000 0.7101000       2.100000      0.7981000     -0.3329000       1.068000
  1 1 1      -2    8   29 o    1.844000      0.5320000       1.783000 0.7268000       1.905000      0.7770000     -0.1216000       1.064000
  1 1 1      -2    8   30 o    2.629000      0.5402000       3.105000 0.6864000       2.153000      0.8343000      0.9514000       1.080000
  1 1 1      -2    8   31 o    5.188000      0.4188000       5.983000 0.4574000       4.393000      0.7017000       1.590000      0.8377000
  1 1 1      -2    8   32 o    5.432000      0.3774000       4.963000 0.4932000       5.901000      0.5714000     -0.9387000      0.7548000
  1 1 1      -2    8   33 o    3.544000      0.5281000       4.152000 0.6423000       2.935000      0.8385000       1.216000       1.056000
  1 1 1      -2    8   34 o    2.681000      0.6239000       2.764000 0.8472000       2.598000      0.9162000      0.1659000       1.248000
  1 1 1      -2    8   35 o    2.104000      0.5531000       1.403000 0.6605000       2.805000      0.8874000      -1.402000       1.106000
  1 1 1      -2    8   36 o    1.952000      0.5746000       1.883000 0.7883000       2.020000      0.8362000     -0.1370000       1.149000
  1 1 1      -2    9    1 o    23.12000      0.4503000       23.52000 0.6432000       22.73000      0.6303000      0.7824000      0.9005000
  1 1 1      -2    9    2 o    21.97000      0.4267000       21.85000 0.5992000       22.09000      0.6077000     -0.2365000      0.8534000
  1 1 1      -2    9    3 o    12.73000      0.2368000       12.46000 0.2705000       12.99000      0.3888000     -0.5266000      0.4737000
  1 1 1      -2    9    4 o    12.61000      0.1891000       12.62000 0.2684000       12.61000      0.2665000      0.5877000E-02  0.3782000
  1 1 1      -2    9    5 o    30.05000      0.4074000       30.24000 0.5805000       29.86000      0.5718000      0.3805000      0.8149000
  1 1 1      -2    9    6 o    13.55000      0.2009000       13.52000 0.2847000       13.57000      0.2836000     -0.5438000E-01  0.4018000
  1 1 1      -2    9    7 o    19.20000      0.2687000       19.51000 0.3858000       18.89000      0.3741000      0.6280000      0.5374000
  1 1 1      -2    9    8 o    6.296000      0.1560000       6.292000 0.2230000       6.300000      0.2183000     -0.7787000E-02  0.3120000
  1 1 1      -2    9    9 o    22.74000      0.3158000       22.82000 0.4482000       22.67000      0.4451000      0.1525000      0.6317000
  1 1 1      -2    9   10 o    9.627000      0.1741000       9.574000 0.2466000       9.681000      0.2458000     -0.1069000      0.3482000
  1 1 1      -2    9   11 o    3.321000      0.2419000       3.380000 0.3394000       3.261000      0.3447000      0.1190000      0.4837000
  1 1 1      -2    9   12 o    13.65000      0.2137000       13.58000 0.3009000       13.71000      0.3035000     -0.1322000      0.4274000
  1 1 1      -2    9   13 o    7.866000      0.1792000       7.936000 0.2535000       7.796000      0.2533000      0.1399000      0.3583000
  1 1 1      -2    9   14 o    5.865000      0.1942000       5.619000 0.2779000       6.110000      0.2712000     -0.4908000      0.3883000
  1 1 1      -2    9   15 o    4.582000      0.2286000       4.790000 0.3157000       4.375000      0.3307000      0.4150000      0.4571000
  1 1 1      -2    9   16 o    5.307000      0.2244000       5.033000 0.3259000       5.581000      0.3085000     -0.5473000      0.4487000
  1 1 1      -2    9   17 o    5.636000      0.2296000       5.440000 0.3257000       5.832000      0.3236000     -0.3912000      0.4591000
  1 1 1      -2    9   18 o    6.209000      0.2181000       6.417000 0.3146000       6.002000      0.3023000      0.4150000      0.4363000
  1 1 1      -2    9   19 o    5.625000      0.2420000       5.309000 0.3621000       5.941000      0.3212000     -0.6317000      0.4840000
  1 1 1      -2    9   20 f    3.920000      0.4549000       4.650000 0.4938000       3.190000      0.7642000       1.460000      0.9099000
  1 1 1      -2    9   21 o    3.871000      0.4464000       3.924000 0.5943000       3.818000      0.6662000      0.1068000      0.8928000
  1 1 1      -2    9   22 o    2.147000      0.4992000       2.425000 0.7031000       1.868000      0.7087000      0.5573000      0.9984000
  1 1 1      -2    9   23 o    9.721000      0.2290000       9.398000 0.3241000       10.04000      0.3235000     -0.6472000      0.4579000
  1 1 1      -2    9   24 o    6.151000      0.3915000       6.346000 0.5273000       5.955000      0.5789000      0.3908000      0.7831000
  1 1 1      -2    9   25 o    9.159000      0.2375000       9.118000 0.3252000       9.201000      0.3463000     -0.8317000E-01  0.4751000
  1 1 1      -2    9   26 o    7.929000      0.2482000       8.152000 0.3282000       7.705000      0.3726000      0.4463000      0.4965000
  1 1 1      -2    9   27 o    2.628000      0.5007000       1.971000 0.7036000       3.285000      0.7127000      -1.314000       1.001000
  1 1 1      -2    9   28 o    1.820000      0.5224000       1.629000 0.6918000       2.011000      0.7828000     -0.3823000       1.045000
  1 1 1      -2    9   29 o    6.692000      0.2919000       6.585000 0.3846000       6.798000      0.4393000     -0.2124000      0.5838000
  1 1 1      -2    9   30 o    7.171000      0.2972000       7.377000 0.3772000       6.965000      0.4595000      0.4126000      0.5945000
  1 1 1      -2    9   31 o    4.281000      0.4520000       3.803000 0.6537000       4.759000      0.6243000     -0.9558000      0.9039000
  1 1 1      -2    9   32 o    7.486000      0.3138000       8.291000 0.3843000       6.681000      0.4963000       1.610000      0.6277000
  1 1 1      -2    9   33 o    5.589000      0.4006000       6.111000 0.4785000       5.067000      0.6425000       1.044000      0.8011000
  1 1 1      -2    9   34 o    2.169000      0.5955000       2.329000 0.8409000       2.008000      0.8434000      0.3207000       1.191000
  1 1 1      -2    9   35 o    2.627000      0.6070000       2.557000 0.8265000       2.696000      0.8893000     -0.1383000       1.214000
  1 1 1      -2    9   36 o    2.787000      0.5380000       1.666000 0.7491000       3.908000      0.7723000      -2.242000       1.076000
  1 1 1      -2   10    1 o    26.85000      0.3749000       26.72000 0.5357000       26.97000      0.5247000     -0.2487000      0.7499000
  1 1 1      -2   10    2 o    13.37000      0.2975000       13.09000 0.5153000       13.65000      0.2976000     -0.5624000      0.5950000
  1 1 1      -2   10    3 o    16.37000      0.2367000       16.66000 0.3426000       16.07000      0.3267000      0.5908000      0.4734000
  1 1 1      -2   10    4 o    24.93000      0.4229000       25.95000 0.7072000       23.91000      0.4640000       2.040000      0.8458000
  1 1 1      -2   10    5 o    4.308000      0.1709000       3.949000 0.2581000       4.666000      0.2240000     -0.7166000      0.3418000
  1 1 1      -2   10    6 o    6.627000      0.1482000       6.789000 0.2121000       6.465000      0.2070000      0.3244000      0.2964000
  1 1 1      -2   10    7 o    9.701000      0.2013000       9.448000 0.3256000       9.955000      0.2369000     -0.5066000      0.4027000
  1 1 1      -2   10    8 o    9.221000      0.1624000       9.203000 0.2310000       9.240000      0.2282000     -0.3654000E-01  0.3247000
  1 1 1      -2   10    9 o    6.255000      0.1604000       6.306000 0.2299000       6.205000      0.2238000      0.1012000      0.3208000
  1 1 1      -2   10   10 o    11.15000      0.1849000       11.33000 0.2646000       10.96000      0.2583000      0.3604000      0.3698000
  1 1 1      -2   10   11 o    16.89000      0.2477000       17.10000 0.3531000       16.68000      0.3475000      0.4193000      0.4954000
  1 1 1      -2   10   12 f    9.214000      0.1765000       9.223000 0.2494000       9.205000      0.2497000      0.1827000E-01  0.3529000
  1 1 1      -2   10   13 o    4.501000      0.2110000       4.229000 0.3077000       4.772000      0.2888000     -0.5436000      0.4220000
  1 1 1      -2   10   14 o    4.979000      0.2074000       5.248000 0.2875000       4.710000      0.2989000      0.5384000      0.4147000
  1 1 1      -2   10   15 o    2.838000      0.3561000       2.100000 0.5941000       3.576000      0.3928000      -1.476000      0.7122000
  1 1 1      -2   10   16 o    1.702000      0.4310000       1.919000 0.6269000       1.485000      0.5916000      0.4334000      0.8620000
  1 1 1      -2   10   17 o    2.479000      0.4221000       2.400000 0.6088000       2.557000      0.5847000     -0.1570000      0.8441000
  1 1 1      -2   10   18 o    4.220000      0.3111000       3.766000 0.4285000       4.673000      0.4512000     -0.9068000      0.6222000
  1 1 1      -2   10   19 o    3.333000      0.4910000       3.804000 0.5940000       2.862000      0.7821000      0.9424000      0.9821000
  1 1 1      -2   10   20 o    2.318000      0.4548000       2.126000 0.6259000       2.509000      0.6601000     -0.3823000      0.9097000
  1 1 1      -2   10   21 o    4.800000      0.2954000       4.429000 0.4360000       5.171000      0.3988000     -0.7418000      0.5909000
  1 1 1      -2   10   22 o    4.931000      0.4697000       5.817000 0.6897000       4.046000      0.6377000       1.771000      0.9394000
  1 1 1      -2   10   23 o    7.991000      0.3738000       7.799000 0.5738000       8.184000      0.4793000     -0.3841000      0.7476000
  1 1 1      -2   10   24 o    14.86000      0.2583000       14.89000 0.3684000       14.84000      0.3620000      0.4936000E-01  0.5165000
  1 1 1      -2   10   25 o    10.97000      0.2450000       11.19000 0.3504000       10.74000      0.3426000      0.4522000      0.4901000
  1 1 1      -2   10   26 o    12.41000      0.2445000       12.79000 0.3368000       12.03000      0.3546000      0.7560000      0.4891000
  1 1 1      -2   10   27 o    2.164000      0.5444000       2.306000 0.7500000       2.023000      0.7892000      0.2826000       1.089000
  1 1 1      -2   10   28 o    4.873000      0.3432000       4.718000 0.4559000       5.028000      0.5130000     -0.3095000      0.6863000
  1 1 1      -2   10   29 o    9.030000      0.2651000       9.259000 0.3472000       8.801000      0.4007000      0.4584000      0.5302000
  1 1 1      -2   10   30 o    2.080000      0.5622000       1.695000 0.7276000       2.466000      0.8574000     -0.7712000       1.124000
  1 1 1      -2   10   31 o    7.533000      0.3028000       7.602000 0.3952000       7.465000      0.4588000      0.1368000      0.6056000
  1 1 1      -2   10   32 o    4.042000      0.5070000       3.451000 0.7622000       4.634000      0.6688000      -1.184000       1.014000
  1 1 1      -2   10   33 o    6.257000      0.3834000       7.407000 0.4206000       5.108000      0.6413000       2.299000      0.7669000
  1 1 1      -2   10   34 o    4.288000      0.4869000       4.175000 0.6507000       4.401000      0.7244000     -0.2263000      0.9737000
  1 1 1      -2   10   35 o    3.432000      0.5918000       3.622000 0.7607000       3.242000      0.9067000      0.3801000       1.184000
  1 1 1      -2   10   36 o    2.437000      0.6113000       2.479000 0.8790000       2.395000      0.8499000      0.8391000E-01   1.223000
  1 1 1      -2   11    1 o    8.657000      0.2070000       8.915000 0.3006000       8.400000      0.2846000      0.5151000      0.4139000
  1 1 1      -2   11    2 o    18.06000      0.2690000       18.16000 0.3883000       17.96000      0.3723000      0.1982000      0.5379000
  1 1 1      -2   11    3 o    17.59000      0.2574000       17.55000 0.3692000       17.63000      0.3587000     -0.8553000E-01  0.5148000
  1 1 1      -2   11    4 o    4.347000      0.1962000       4.277000 0.2807000       4.416000      0.2742000     -0.1384000      0.3924000
  1 1 1      -2   11    5 o    7.920000      0.1629000       7.932000 0.2352000       7.908000      0.2254000      0.2451000E-01  0.3258000
  1 1 1      -2   11    6 o    7.079000      0.1541000       7.222000 0.2211000       6.936000      0.2147000      0.2865000      0.3082000
  1 1 1      -2   11    7 o    8.449000      0.1605000       8.535000 0.2308000       8.362000      0.2232000      0.1730000      0.3211000
  1 1 1      -2   11    8 o    8.396000      0.1637000       8.188000 0.2315000       8.605000      0.2316000     -0.4177000      0.3275000
  1 1 1      -2   11    9 o    8.734000      0.1668000       8.659000 0.2346000       8.808000      0.2370000     -0.1492000      0.3335000
  1 1 1      -2   11   10 f    12.11000      0.1946000       11.96000 0.2741000       12.27000      0.2763000     -0.3082000      0.3892000
  1 1 1      -2   11   11 o    9.636000      0.1759000       9.596000 0.2476000       9.677000      0.2498000     -0.8066000E-01  0.3517000
  1 1 1      -2   11   12 o    9.076000      0.1787000       9.059000 0.2540000       9.093000      0.2516000     -0.3399000E-01  0.3575000
  1 1 1      -2   11   13 f    6.444000      0.1850000       6.543000 0.2587000       6.345000      0.2645000      0.1979000      0.3699000
  1 1 1      -2   11   14 o    7.343000      0.1858000       7.247000 0.2676000       7.440000      0.2577000     -0.1931000      0.3715000
  1 1 1      -2   11   15 o    3.689000      0.2810000       4.214000 0.3376000       3.164000      0.4494000       1.050000      0.5621000
  1 1 1      -2   11   16 f    3.997000      0.2771000       3.973000 0.3877000       4.021000      0.3959000     -0.4869000E-01  0.5542000
  1 1 1      -2   11   17 o    7.439000      0.2765000       7.593000 0.3648000       7.285000      0.4157000      0.3078000      0.5531000
  1 1 1      -2   11   18 o    7.508000      0.3911000       7.508000 0.3911000                  ?              ?              ?              ?
  1 1 1      -2   11   19 o    3.030000      0.3960000       3.103000 0.5569000       2.958000      0.5633000      0.1452000      0.7921000
  1 1 1      -2   11   20 o    3.184000      0.5659000                  ?       ?   3.184000      0.5659000                  ?              ?
  1 1 1      -2   11   21 o    4.635000      0.5084000       4.271000 0.8184000       4.999000      0.6035000     -0.7273000       1.017000
  1 1 1      -2   11   22 o    2.741000      0.4710000       3.126000 0.6373000       2.356000      0.6935000      0.7705000      0.9419000
  1 1 1      -2   11   23 o    4.168000      0.3576000       4.396000 0.4686000       3.940000      0.5404000      0.4555000      0.7153000
  1 1 1      -2   11   24 o    3.228000      0.4738000       3.132000 0.6728000       3.324000      0.6674000     -0.1923000      0.9477000
  1 1 1      -2   11   25 o    6.923000      0.2724000       6.912000 0.3983000       6.934000      0.3716000     -0.2252000E-01  0.5448000
  1 1 1      -2   11   26 o    3.838000      0.4391000       4.142000 0.5693000       3.534000      0.6686000      0.6081000      0.8781000
  1 1 1      -2   11   27 o    8.331000      0.2705000       8.653000 0.3687000       8.009000      0.3959000      0.6439000      0.5410000
  1 1 1      -2   11   28 o    5.888000      0.3160000       5.856000 0.4025000       5.920000      0.4872000     -0.6344000E-01  0.6320000
  1 1 1      -2   11   29 o    1.969000      0.5136000       2.410000 0.7607000       1.527000      0.6904000      0.8827000       1.027000
  1 1 1      -2   11   30 o    4.292000      0.4525000       4.524000 0.5389000       4.061000      0.7271000      0.4636000      0.9050000
  1 1 1      -2   11   31 o    4.633000      0.4245000       4.882000 0.5037000       4.384000      0.6834000      0.4981000      0.8489000
  1 1 1      -2   11   32 o    4.529000      0.4407000       4.244000 0.6048000       4.815000      0.6411000     -0.5710000      0.8814000
  1 1 1      -2   11   33 o    1.979000      0.5674000       2.227000 0.8292000       1.730000      0.7748000      0.4976000       1.135000
  1 1 1      -2   11   34 o    1.815000      0.5589000       1.520000 0.6990000       2.110000      0.8724000     -0.5903000       1.118000
  1 1 1      -2   11   35 o    4.984000      0.4281000       4.945000 0.5945000       5.023000      0.6161000     -0.7774000E-01  0.8561000
  1 1 1      -2   12    1 o    21.82000      0.3326000       22.29000 0.4981000       21.35000      0.4410000      0.9361000      0.6652000
  1 1 1      -2   12    2 o    8.014000      0.2066000       8.198000 0.3028000       7.830000      0.2811000      0.3680000      0.4132000
  1 1 1      -2   12    3 o    6.827000      0.1950000       6.781000 0.2833000       6.873000      0.2681000     -0.9177000E-01  0.3901000
  1 1 1      -2   12    4 o    8.061000      0.1752000       8.056000 0.2550000       8.065000      0.2404000     -0.9263000E-02  0.3505000
  1 1 1      -2   12    5 o    14.28000      0.2177000       14.83000 0.3204000       13.72000      0.2948000       1.110000      0.4354000
  1 1 1      -2   12    6 o    5.204000      0.2638000       4.762000 0.4703000       5.645000      0.2391000     -0.8830000      0.5276000
  1 1 1      -2   12    7 o    8.714000      0.1650000       8.857000 0.2376000       8.570000      0.2290000      0.2876000      0.3300000
  1 1 1      -2   12    8 o    2.931000      0.2826000       3.475000 0.3306000       2.388000      0.4584000       1.087000      0.5652000
  1 1 1      -2   12    9 o    16.40000      0.2401000       16.07000 0.3346000       16.72000      0.3444000     -0.6509000      0.4802000
  1 1 1      -2   12   10 o    13.47000      0.2082000       13.56000 0.2968000       13.37000      0.2919000      0.1859000      0.4163000
  1 1 1      -2   12   11 o    6.638000      0.1765000       6.738000 0.2483000       6.539000      0.2509000      0.1995000      0.3531000
  1 1 1      -2   12   12 o    9.592000      0.1823000       9.470000 0.2587000       9.714000      0.2568000     -0.2442000      0.3645000
  1 1 1      -2   12   13 o    3.474000      0.2789000       3.211000 0.4239000       3.737000      0.3625000     -0.5258000      0.5578000
  1 1 1      -2   12   14 o    5.480000      0.2130000       5.528000 0.2981000       5.433000      0.3043000      0.9566000E-01  0.4260000
  1 1 1      -2   12   15 o    7.822000      0.2569000       7.637000 0.3513000       8.008000      0.3749000     -0.3716000      0.5138000
  1 1 1      -2   12   16 o    9.693000      0.2671000       9.442000 0.3651000       9.943000      0.3901000     -0.5009000      0.5342000
  1 1 1      -2   12   17 o    8.572000      0.2046000       8.593000 0.2884000       8.550000      0.2903000      0.4280000E-01  0.4092000
  1 1 1      -2   12   18 o    11.42000      0.2613000       11.91000 0.3185000       10.93000      0.4142000      0.9762000      0.5225000
  1 1 1      -2   12   19 o    7.101000      0.3631000       7.868000 0.5404000       6.334000      0.4851000       1.535000      0.7262000
  1 1 1      -2   12   20 o    3.403000      0.7535000                  ?       ?   3.403000      0.7535000                  ?              ?
  1 1 1      -2   12   21 o    1.622000      0.4714000       1.657000 0.6693000       1.587000      0.6640000      0.6975000E-01  0.9428000
  1 1 1      -2   12   22 f    16.48000      0.2685000       16.45000 0.3835000       16.50000      0.3759000     -0.5778000E-01  0.5370000
  1 1 1      -2   12   23 o    4.850000      0.3263000       5.169000 0.4228000       4.530000      0.4970000      0.6389000      0.6525000
  1 1 1      -2   12   24 o    5.262000      0.3179000       4.707000 0.4874000       5.818000      0.4081000      -1.111000      0.6357000
  1 1 1      -2   12   25 o    15.00000      0.2672000       15.15000 0.3841000       14.86000      0.3714000      0.2855000      0.5343000
  1 1 1      -2   12   26 o    6.378000      0.3040000       6.637000 0.4204000       6.120000      0.4391000      0.5173000      0.6079000
  1 1 1      -2   12   27 o    5.468000      0.3527000       5.031000 0.5284000       5.904000      0.4672000     -0.8725000      0.7053000
  1 1 1      -2   12   28 o    1.769000      0.5306000       1.726000 0.7363000       1.812000      0.7642000     -0.8593000E-01   1.061000
  1 1 1      -2   12   29 o    2.479000      0.5852000       1.949000 0.8260000       3.009000      0.8292000      -1.060000       1.170000
  1 1 1      -2   12   30 o    2.225000      0.5452000       2.759000 0.7846000       1.690000      0.7571000       1.069000       1.090000
  1 1 1      -2   12   31 o    2.696000      0.6145000       2.515000 0.8264000       2.878000      0.9095000     -0.3631000       1.229000
  1 1 1      -2   12   32 o    6.992000      0.3304000       7.586000 0.4119000       6.397000      0.5166000       1.189000      0.6607000
  1 1 1      -2   12   33 o    2.341000      0.6039000       2.020000 0.8070000       2.662000      0.8986000     -0.6421000       1.208000
  1 1 1      -2   12   34 o    1.687000      0.5268000       1.772000 0.7497000       1.602000      0.7402000      0.1696000       1.054000
  1 1 1      -2   12   35 o    3.472000      0.7003000       4.079000 0.9569000       2.865000       1.023000       1.214000       1.401000
  1 1 1      -2   13    1 o    2.358000      0.4833000       1.661000 0.6533000       3.054000      0.7123000      -1.393000      0.9666000
  1 1 1      -2   13    2 o    15.45000      0.2622000       15.31000 0.3867000       15.60000      0.3543000     -0.2853000      0.5244000
  1 1 1      -2   13    3 o    14.30000      0.2420000       13.94000 0.3536000       14.66000      0.3305000     -0.7196000      0.4840000
  1 1 1      -2   13    4 o    12.87000      0.2179000       13.20000 0.3223000       12.53000      0.2932000      0.6649000      0.4357000
  1 1 1      -2   13    5 o    2.433000      0.3459000       2.461000 0.4986000       2.405000      0.4797000      0.5571000E-01  0.6919000
  1 1 1      -2   13    6 o    12.83000      0.2516000       12.92000 0.2964000       12.75000      0.4067000      0.1638000      0.5033000
  1 1 1      -2   13    7 o    6.269000      0.1827000       6.109000 0.2652000       6.430000      0.2514000     -0.3200000      0.3654000
  1 1 1      -2   13    8 o    4.533000      0.1982000       4.605000 0.2891000       4.462000      0.2712000      0.1434000      0.3964000
  1 1 1      -2   13    9 o    5.646000      0.1816000       5.625000 0.2628000       5.667000      0.2508000     -0.4202000E-01  0.3633000
  1 1 1      -2   13   10 o    5.216000      0.1951000       5.189000 0.2843000       5.243000      0.2673000     -0.5343000E-01  0.3902000
  1 1 1      -2   13   11 o    13.60000      0.2146000       13.44000 0.3025000       13.77000      0.3044000     -0.3308000      0.4291000
  1 1 1      -2   13   12 o    4.388000      0.3024000       4.620000 0.3837000       4.157000      0.4676000      0.4627000      0.6048000
  1 1 1      -2   13   13 o    9.493000      0.2563000       9.066000 0.3521000       9.919000      0.3726000     -0.8530000      0.5126000
  1 1 1      -2   13   14 o    6.253000      0.1944000       5.960000 0.2757000       6.545000      0.2741000     -0.5850000      0.3887000
  1 1 1      -2   13   15 o    5.358000      0.2220000       5.257000 0.3107000       5.460000      0.3172000     -0.2037000      0.4440000
  1 1 1      -2   13   16 o    5.108000      0.2361000       5.113000 0.3231000       5.104000      0.3444000      0.9423000E-02  0.4722000
  1 1 1      -2   13   17 o    6.584000      0.3426000       6.053000 0.5292000       7.115000      0.4353000      -1.062000      0.6852000
  1 1 1      -2   13   18 o    2.327000      0.5983000       2.093000 0.8626000       2.560000      0.8294000     -0.4673000       1.197000
  1 1 1      -2   13   19 o    9.902000      0.2177000       10.14000 0.3157000       9.662000      0.2997000      0.4792000      0.4353000
  1 1 1      -2   13   20 o    2.030000      0.5010000       1.899000 0.7061000       2.162000      0.7109000     -0.2637000       1.002000
  1 1 1      -2   13   21 o    3.991000      0.3631000       4.255000 0.4936000       3.728000      0.5326000      0.5275000      0.7262000
  1 1 1      -2   13   22 f    4.330000      0.3396000       4.279000 0.4912000       4.381000      0.4690000     -0.1012000      0.6792000
  1 1 1      -2   13   23 o    11.10000      0.2388000       10.93000 0.3427000       11.27000      0.3327000     -0.3399000      0.4777000
  1 1 1      -2   13   24 o    3.019000      0.4977000       2.526000 0.7494000       3.511000      0.6551000     -0.9845000      0.9953000
  1 1 1      -2   13   25 o    5.055000      0.3457000       4.930000 0.5016000       5.181000      0.4759000     -0.2505000      0.6914000
  1 1 1      -2   13   26 o    10.82000      0.2527000       10.82000 0.3612000       10.82000      0.3534000     -0.1870000E-02  0.5053000
  1 1 1      -2   13   27 o    3.645000      0.4907000       3.504000 0.6971000       3.787000      0.6907000     -0.2833000      0.9813000
  1 1 1      -2   13   28 o    6.429000      0.3240000       6.652000 0.4397000       6.206000      0.4759000      0.4465000      0.6480000
  1 1 1      -2   13   29 o    2.367000      0.5594000       1.558000 0.7190000       3.177000      0.8573000      -1.619000       1.119000
  1 1 1      -2   13   30 o    3.949000      0.5189000       3.703000 0.7445000       4.195000      0.7230000     -0.4922000       1.038000
  1 1 1      -2   13   31 o    2.738000      0.6089000       2.411000 0.8042000       3.065000      0.9143000     -0.6537000       1.218000
  1 1 1      -2   13   32 o    4.317000      0.4878000       4.645000 0.6013000       3.988000      0.7681000      0.6568000      0.9755000
  1 1 1      -2   13   33 o    4.328000      0.6674000       4.624000 0.7734000       4.033000       1.088000      0.5907000       1.335000
  1 1 1      -2   13   34 o    2.925000      0.6881000       3.505000 0.9636000       2.346000      0.9825000       1.159000       1.376000
  1 1 1      -2   14    1 o    9.830000      0.2611000       9.935000 0.3644000       9.725000      0.3740000      0.2098000      0.5221000
  1 1 1      -2   14    2 o    8.837000      0.2401000       8.456000 0.3438000       9.218000      0.3352000     -0.7628000      0.4801000
  1 1 1      -2   14    3 o    10.73000      0.2255000       10.63000 0.3273000       10.83000      0.3103000     -0.2015000      0.4510000
  1 1 1      -2   14    4 o    5.614000      0.2256000       5.586000 0.3326000       5.642000      0.3049000     -0.5670000E-01  0.4513000
  1 1 1      -2   14    5 o    8.050000      0.2009000       8.240000 0.3012000       7.861000      0.2660000      0.3783000      0.4019000
  1 1 1      -2   14    6 o    6.148000      0.2040000       6.122000 0.3036000       6.174000      0.2726000     -0.5254000E-01  0.4080000
  1 1 1      -2   14    7 o    1.429000      0.4013000       1.285000 0.5572000       1.574000      0.5777000     -0.2891000      0.8026000
  1 1 1      -2   14    8 o    5.284000      0.2080000       5.520000 0.3022000       5.048000      0.2858000      0.4719000      0.4159000
  1 1 1      -2   14    9 o    12.78000      0.2926000       12.18000 0.4065000       13.38000      0.4210000      -1.193000      0.5853000
  1 1 1      -2   14   10 o    6.611000      0.2628000       6.865000 0.3662000       6.358000      0.3771000      0.5073000      0.5256000
  1 1 1      -2   14   11 o    3.741000      0.3858000       3.952000 0.5195000       3.530000      0.5706000      0.4222000      0.7716000
  1 1 1      -2   14   12 o    6.094000      0.2026000       5.856000 0.2990000       6.332000      0.2736000     -0.4761000      0.4053000
  1 1 1      -2   14   13 o    4.729000      0.2323000       4.318000 0.3486000       5.139000      0.3072000     -0.8215000      0.4647000
  1 1 1      -2   14   14 o    12.51000      0.3083000       12.55000 0.4487000       12.47000      0.4229000      0.7906000E-01  0.6166000
  1 1 1      -2   14   15 o    9.062000      0.2917000       9.119000 0.4313000       9.004000      0.3927000      0.1158000      0.5833000
  1 1 1      -2   14   16 o    5.485000      0.2899000       5.378000 0.3133000       5.592000      0.4878000     -0.2138000      0.5797000
  1 1 1      -2   14   17 o    6.921000      0.2175000       6.955000 0.3083000       6.887000      0.3068000      0.6806000E-01  0.4349000
  1 1 1      -2   14   18 o    11.72000      0.2202000       11.82000 0.3156000       11.62000      0.3073000      0.2010000      0.4405000
  1 1 1      -2   14   19 o    6.809000      0.2374000       6.905000 0.3368000       6.712000      0.3347000      0.1932000      0.4748000
  1 1 1      -2   14   20 o    1.912000      0.4858000       2.151000 0.6985000       1.673000      0.6755000      0.4786000      0.9717000
  1 1 1      -2   14   21 o    6.541000      0.2562000       6.111000 0.3871000       6.971000      0.3357000     -0.8604000      0.5124000
  1 1 1      -2   14   22 o    9.945000      0.2352000       9.923000 0.3355000       9.967000      0.3297000     -0.4475000E-01  0.4704000
  1 1 1      -2   14   23 o    12.40000      0.2459000       12.29000 0.3523000       12.51000      0.3432000     -0.2216000      0.4918000
  1 1 1      -2   14   24 o    6.260000      0.2814000       5.956000 0.4133000       6.563000      0.3820000     -0.6065000      0.5628000
  1 1 1      -2   14   25 o    7.732000      0.2656000       7.736000 0.3694000       7.728000      0.3817000      0.8240000E-02  0.5312000
  1 1 1      -2   14   26 o    6.296000      0.3093000       6.264000 0.4370000       6.327000      0.4378000     -0.6335000E-01  0.6185000
  1 1 1      -2   14   27 o    5.316000      0.3547000       5.281000 0.4941000       5.351000      0.5090000     -0.7057000E-01  0.7094000
  1 1 1      -2   14   28 o    2.791000      0.5796000       3.101000 0.7820000       2.481000      0.8556000      0.6198000       1.159000
  1 1 1      -2   14   29 o    7.000000      0.3273000       6.864000 0.4548000       7.135000      0.4709000     -0.2705000      0.6547000
  1 1 1      -2   14   30 o    2.392000      0.6103000       2.156000 0.8445000       2.629000      0.8814000     -0.4724000       1.221000
  1 1 1      -2   14   31 o    2.924000      0.6308000       3.076000 0.8544000       2.772000      0.9282000      0.3032000       1.262000
  1 1 1      -2   14   32 f    4.388000      0.6516000       4.340000 0.8407000       4.437000      0.9957000     -0.9697000E-01   1.303000
  1 1 1      -2   14   33 o    2.381000      0.6211000       2.710000 0.8956000       2.053000      0.8606000      0.6568000       1.242000
  1 1 1      -2   14   34 o    2.615000      0.6344000       2.365000 0.8718000       2.865000      0.9217000     -0.5000000       1.269000
  1 1 1      -2   15    1 o    4.414000      0.4412000       3.942000 0.6016000       4.886000      0.6455000     -0.9439000      0.8824000
  1 1 1      -2   15    2 o    4.423000      0.4046000       5.024000 0.4650000       3.821000      0.6623000       1.203000      0.8093000
  1 1 1      -2   15    3 o    7.817000      0.2488000       7.603000 0.3621000       8.031000      0.3413000     -0.4286000      0.4976000
  1 1 1      -2   15    4 o    4.134000      0.3140000       4.441000 0.4253000       3.827000      0.4620000      0.6144000      0.6280000
  1 1 1      -2   15    5 o    6.758000      0.3160000       6.307000 0.3418000       7.210000      0.5317000     -0.9035000      0.6320000
  1 1 1      -2   15    6 o    8.655000      0.3676000       8.699000 0.5875000       8.612000      0.4421000      0.8667000E-01  0.7352000
  1 1 1      -2   15    7 o    5.449000      0.3848000       6.189000 0.5685000       4.709000      0.5187000       1.481000      0.7695000
  1 1 1      -2   15    8 o    4.728000      0.3991000       4.773000 0.5973000       4.683000      0.5295000      0.9030000E-01  0.7982000
  1 1 1      -2   15    9 o    2.718000      0.3876000       2.658000 0.5912000       2.779000      0.5012000     -0.1204000      0.7751000
  1 1 1      -2   15   10 o    6.654000      0.1979000       6.418000 0.2926000       6.891000      0.2665000     -0.4724000      0.3958000
  1 1 1      -2   15   11 o    6.296000      0.1926000       6.230000 0.2793000       6.362000      0.2652000     -0.1326000      0.3851000
  1 1 1      -2   15   12 o    4.385000      0.3484000       4.277000 0.5456000       4.492000      0.4335000     -0.2154000      0.6969000
  1 1 1      -2   15   13 o    11.01000      0.2907000       11.54000 0.4299000       10.48000      0.3914000       1.062000      0.5814000
  1 1 1      -2   15   14 o    10.25000      0.2026000       10.17000 0.2905000       10.33000      0.2824000     -0.1649000      0.4051000
  1 1 1      -2   15   15 o    5.282000      0.2360000       5.143000 0.3486000       5.421000      0.3183000     -0.2789000      0.4721000
  1 1 1      -2   15   16 o    3.585000      0.3186000       3.666000 0.4318000       3.503000      0.4686000      0.1630000      0.6372000
  1 1 1      -2   15   17 o    2.595000      0.4387000       2.706000 0.6005000       2.484000      0.6395000      0.2224000      0.8773000
  1 1 1      -2   15   18 o    7.504000      0.2229000       7.764000 0.3201000       7.244000      0.3103000      0.5206000      0.4458000
  1 1 1      -2   15   19 o    8.387000      0.3208000       8.387000 0.3208000                  ?              ?              ?              ?
  1 1 1      -2   15   20 o    15.65000      0.2586000       15.90000 0.3709000       15.39000      0.3604000      0.5113000      0.5172000
  1 1 1      -2   15   21 o    8.658000      0.3100000       8.204000 0.5266000       9.113000      0.3273000     -0.9088000      0.6201000
  1 1 1      -2   15   22 o    11.41000      0.2362000       11.46000 0.3374000       11.37000      0.3307000      0.8738000E-01  0.4724000
  1 1 1      -2   15   23 o    1.776000      0.5050000       2.044000 0.7571000       1.507000      0.6686000      0.5375000       1.010000
  1 1 1      -2   15   24 o    2.229000      0.5445000       2.202000 0.7715000       2.256000      0.7688000     -0.5431000E-01   1.089000
  1 1 1      -2   15   25 o    7.497000      0.2704000       7.341000 0.3905000       7.653000      0.3740000     -0.3121000      0.5407000
  1 1 1      -2   15   26 o    4.103000      0.4533000       3.432000 0.7364000       4.775000      0.5288000      -1.342000      0.9066000
  1 1 1      -2   15   27 f    2.901000      0.5686000       2.965000 0.8223000       2.837000      0.7854000      0.1274000       1.137000
  1 1 1      -2   15   28 o    2.590000      0.5821000       2.261000 0.8356000       2.919000      0.8106000     -0.6581000       1.164000
  1 1 1      -2   15   29 o    3.528000      0.5543000       4.043000 0.6925000       3.012000      0.8658000       1.031000       1.109000
  1 1 1      -2   15   30 o    5.075000      0.5816000       5.639000 0.6064000       4.511000      0.9926000       1.128000       1.163000
  1 1 1      -2   15   31 o    3.765000      0.7123000       3.692000 0.9496000       3.837000       1.062000     -0.1448000       1.425000
  1 1 1      -2   15   32 o    2.568000      0.6379000       2.449000 0.8812000       2.688000      0.9225000     -0.2382000       1.276000
  1 1 1      -2   15   33 o    2.532000      0.5945000       2.220000 0.8103000       2.845000      0.8700000     -0.6256000       1.189000
  1 1 1      -2   16    1 o    8.302000       1.056000       8.177000 1.901000       8.426000      0.9224000     -0.2488000       2.113000
  1 1 1      -2   16    2 o    6.046000       1.121000       5.600000 1.957000       6.491000       1.093000     -0.8905000       2.241000
  1 1 1      -2   16    3 o    6.605000      0.9577000       7.254000 1.610000       5.956000       1.038000       1.298000       1.915000
  1 1 1      -2   16    4 o    3.600000      0.8261000       5.027000 1.352000       2.174000      0.9495000       2.853000       1.652000
  1 1 1      -2   16    5 o    7.325000      0.2285000       7.687000 0.3373000       6.962000      0.3084000      0.7248000      0.4570000
  1 1 1      -2   16    6 o    3.871000      0.3138000       3.678000 0.4836000       4.063000      0.4000000     -0.3848000      0.6276000
  1 1 1      -2   16    7 o    3.498000      0.3489000       3.098000 0.5699000       3.898000      0.4026000     -0.8000000      0.6977000
  1 1 1      -2   16    8 o    5.664000      0.2751000       5.337000 0.4208000       5.991000      0.3544000     -0.6542000      0.5502000
  1 1 1      -2   16    9 o    7.187000      0.2556000       6.819000 0.3803000       7.556000      0.3416000     -0.7373000      0.5112000
  1 1 1      -2   16   10 o    4.231000      0.3332000       4.477000 0.4936000       3.985000      0.4478000      0.4924000      0.6665000
  1 1 1      -2   16   11 o    6.873000      0.2070000       6.410000 0.3126000       7.336000      0.2715000     -0.9257000      0.4141000
  1 1 1      -2   16   12 o    9.893000      0.2004000       9.731000 0.2914000       10.06000      0.2753000     -0.3249000      0.4008000
  1 1 1      -2   16   13 o    7.500000      0.2000000       7.667000 0.2900000       7.333000      0.2756000      0.3346000      0.4000000
  1 1 1      -2   16   14 o    3.554000      0.3312000       3.993000 0.4307000       3.114000      0.5032000      0.8792000      0.6623000
  1 1 1      -2   16   15 o    5.030000      0.2554000       4.974000 0.3731000       5.086000      0.3487000     -0.1115000      0.5107000
  1 1 1      -2   16   16 o    8.262000      0.2068000       8.160000 0.3015000       8.364000      0.2831000     -0.2047000      0.4136000
  1 1 1      -2   16   17 o    11.59000      0.2190000       11.54000 0.3125000       11.64000      0.3068000     -0.9947000E-01  0.4379000
  1 1 1      -2   16   18 o    12.48000      0.2307000       12.31000 0.3263000       12.64000      0.3262000     -0.3314000      0.4614000
  1 1 1      -2   16   19 o    17.09000      0.3869000       17.09000 0.3869000                  ?              ?              ?              ?
  1 1 1      -2   16   20 o    9.397000      0.2309000       9.142000 0.3327000       9.653000      0.3202000     -0.5115000      0.4618000
  1 1 1      -2   16   21 o    9.404000      0.3284000                  ?       ?   9.404000      0.3284000                  ?              ?
  1 1 1      -2   16   22 o    4.520000      0.3486000       4.098000 0.5377000       4.942000      0.4437000     -0.8443000      0.6972000
  1 1 1      -2   16   23 o    9.347000      0.2474000       9.378000 0.3581000       9.315000      0.3414000      0.6263000E-01  0.4948000
  1 1 1      -2   16   24 o    7.724000      0.2614000       7.971000 0.3603000       7.477000      0.3789000      0.4940000      0.5228000
  1 1 1      -2   16   25 f    2.419000      0.5299000       1.715000 0.7338000       3.122000      0.7646000      -1.407000       1.060000
  1 1 1      -2   16   26 o    2.600000      0.5691000       3.071000 0.7940000       2.129000      0.8156000      0.9422000       1.138000
  1 1 1      -2   16   27 o    2.887000      0.5781000       3.021000 0.8138000       2.752000      0.8213000      0.2693000       1.156000
  1 1 1      -2   16   28 f    3.248000      0.5999000       1.892000 0.7910000       4.604000      0.9023000      -2.713000       1.200000
  1 1 1      -2   16   29 o    4.604000      0.5995000       4.176000 0.8060000       5.033000      0.8878000     -0.8571000       1.199000
  1 1 1      -2   16   30 f    4.481000      0.4925000       4.578000 0.6912000       4.385000      0.7019000      0.1938000      0.9851000
  1 1 1      -2   16   31 o    1.533000      0.5090000       1.398000 0.6749000       1.668000      0.7623000     -0.2703000       1.018000
  1 1 1      -2   16   32 o    2.793000      0.7171000       2.044000 0.9320000       3.543000       1.090000      -1.499000       1.434000
  1 1 1      -2   16   33 o    2.508000      0.6127000       2.301000 0.8833000       2.715000      0.8492000     -0.4135000       1.225000
  1 1 1      -2   17    1 o    3.761000      0.6276000       4.171000 0.7105000       3.352000       1.035000      0.8190000       1.255000
  1 1 1      -2   17    2 o    1.771000      0.5350000       1.746000 0.7344000       1.796000      0.7782000     -0.5058000E-01   1.070000
  1 1 1      -2   17    3 o    4.891000      0.3671000       4.732000 0.5138000       5.050000      0.5245000     -0.3187000      0.7342000
  1 1 1      -2   17    4 o    4.527000      0.3683000       4.748000 0.5026000       4.305000      0.5385000      0.4437000      0.7366000
  1 1 1      -2   17    5 o    3.520000      0.3916000       3.680000 0.5476000       3.359000      0.5600000      0.3207000      0.7832000
  1 1 1      -2   17    6 o    9.308000      0.2558000       9.275000 0.3658000       9.340000      0.3577000     -0.6532000E-01  0.5116000
  1 1 1      -2   17    7 o    4.258000      0.3260000       4.003000 0.4961000       4.512000      0.4230000     -0.5093000      0.6520000
  1 1 1      -2   17    8 o    3.176000      0.3857000       3.184000 0.5959000       3.169000      0.4897000      0.1545000E-01  0.7713000
  1 1 1      -2   17    9 o    8.703000      0.2064000       9.066000 0.3066000       8.339000      0.2763000      0.7275000      0.4127000
  1 1 1      -2   17   10 o    6.612000      0.2203000       6.495000 0.3310000       6.728000      0.2908000     -0.2326000      0.4406000
  1 1 1      -2   17   11 o    9.404000      0.2090000       9.512000 0.3072000       9.297000      0.2834000      0.2157000      0.4180000
  1 1 1      -2   17   12 o    5.481000      0.2314000       5.433000 0.3442000       5.528000      0.3095000     -0.9414000E-01  0.4629000
  1 1 1      -2   17   13 o    4.659000      0.2648000       4.537000 0.3977000       4.780000      0.3497000     -0.2430000      0.5296000
  1 1 1      -2   17   14 o    10.43000      0.2113000       10.40000 0.3058000       10.47000      0.2916000     -0.7136000E-01  0.4226000
  1 1 1      -2   17   15 o    12.25000      0.2225000       12.30000 0.3223000       12.20000      0.3068000      0.1007000      0.4450000
  1 1 1      -2   17   16 o    14.99000      0.2467000       14.75000 0.3516000       15.23000      0.3460000     -0.4815000      0.4933000
  1 1 1      -2   17   17 o    16.45000      0.2609000       16.28000 0.3694000       16.62000      0.3684000     -0.3401000      0.5217000
  1 1 1      -2   17   18 o    14.14000      0.2844000       13.87000 0.4524000       14.41000      0.3448000     -0.5437000      0.5688000
  1 1 1      -2   17   19 o    10.28000      0.2763000       10.88000 0.3269000       9.684000      0.4456000       1.194000      0.5526000
  1 1 1      -2   17   20 f    6.521000      0.2629000       6.560000 0.3803000       6.483000      0.3630000      0.7660000E-01  0.5257000
  1 1 1      -2   17   21 o    9.567000      0.3362000                  ?       ?   9.567000      0.3362000                  ?              ?
  1 1 1      -2   17   22 o    7.022000      0.2717000       6.966000 0.3991000       7.077000      0.3686000     -0.1102000      0.5433000
  1 1 1      -2   17   23 o    10.76000      0.2501000       10.94000 0.3593000       10.58000      0.3480000      0.3628000      0.5002000
  1 1 1      -2   17   24 o    9.499000      0.2543000       9.630000 0.3672000       9.369000      0.3519000      0.2609000      0.5086000
  1 1 1      -2   17   25 o    6.289000      0.3173000       6.227000 0.4530000       6.351000      0.4445000     -0.1237000      0.6346000
  1 1 1      -2   17   26 o    3.876000      0.5608000       3.727000 0.7426000       4.025000      0.8406000     -0.2983000       1.122000
  1 1 1      -2   17   27 o    2.117000      0.6289000       1.850000 0.8169000       2.385000      0.9564000     -0.5353000       1.258000
  1 1 1      -2   17   28 o    3.942000      0.5410000       3.052000 0.8961000       4.833000      0.6064000      -1.781000       1.082000
  1 1 1      -2   17   29 o    5.373000      0.4226000       5.894000 0.5504000       4.852000      0.6414000       1.042000      0.8452000
  1 1 1      -2   17   30 o    2.605000      0.7533000       3.284000 1.217000       1.927000      0.8887000       1.357000       1.507000
  1 1 1      -2   17   31 f    2.737000      0.7667000       2.900000 1.136000       2.574000       1.030000      0.3258000       1.533000
  1 1 1      -2   17   32 o    2.512000      0.6366000       2.745000 0.9034000       2.280000      0.8973000      0.4649000       1.273000
  1 1 1      -2   18    1 o    7.530000      0.4295000       8.166000 0.4695000       6.894000      0.7193000       1.272000      0.8590000
  1 1 1      -2   18    2 o    5.112000      0.3962000       5.210000 0.4953000       5.015000      0.6186000      0.1953000      0.7925000
  1 1 1      -2   18    3 o    3.808000      0.4849000       3.841000 0.6481000       3.774000      0.7215000      0.6737000E-01  0.9699000
  1 1 1      -2   18    4 o    7.388000      0.2915000       7.296000 0.4143000       7.481000      0.4102000     -0.1855000      0.5831000
  1 1 1      -2   18    5 o    4.494000      0.3496000       4.356000 0.5227000       4.633000      0.4644000     -0.2767000      0.6992000
  1 1 1      -2   18    6 o    9.818000      0.2380000       9.782000 0.3550000       9.854000      0.3172000     -0.7184000E-01  0.4761000
  1 1 1      -2   18    7 o    8.154000      0.2464000       8.023000 0.3675000       8.285000      0.3283000     -0.2621000      0.4928000
  1 1 1      -2   18    8 o    6.714000      0.2478000       6.666000 0.3800000       6.762000      0.3181000     -0.9613000E-01  0.4956000
  1 1 1      -2   18    9 o    2.726000      0.4367000       2.667000 0.6921000       2.785000      0.5327000     -0.1188000      0.8734000
  1 1 1      -2   18   10 f    9.375000      0.2085000       9.102000 0.3097000       9.648000      0.2792000     -0.5453000      0.4169000
  1 1 1      -2   18   11 o    8.555000      0.2206000       9.036000 0.3230000       8.074000      0.3004000      0.9620000      0.4411000
  1 1 1      -2   18   12 o    4.796000      0.3071000       4.753000 0.4670000       4.839000      0.3990000     -0.8526000E-01  0.6143000
  1 1 1      -2   18   13 o    1.614000      0.4662000       1.726000 0.6908000       1.502000      0.6264000      0.2242000      0.9325000
  1 1 1      -2   18   14 o    7.194000      0.2217000       7.312000 0.3279000       7.077000      0.2983000      0.2348000      0.4433000
  1 1 1      -2   18   15 o    5.617000      0.2626000       5.834000 0.3784000       5.401000      0.3640000      0.4329000      0.5251000
  1 1 1      -2   18   16 o    14.64000      0.2462000       14.49000 0.3545000       14.79000      0.3418000     -0.3065000      0.4925000
  1 1 1      -2   18   17 f    14.81000      0.2502000       14.68000 0.3585000       14.93000      0.3489000     -0.2443000      0.5003000
  1 1 1      -2   18   18 o    3.778000      0.3808000       3.806000 0.5563000       3.750000      0.5201000      0.5540000E-01  0.7616000
  1 1 1      -2   18   19 o    3.651000      0.4116000       3.789000 0.5550000       3.512000      0.6080000      0.2770000      0.8233000
  1 1 1      -2   18   20 o    9.291000      0.2393000       8.922000 0.3417000       9.659000      0.3350000     -0.7377000      0.4785000
  1 1 1      -2   18   21 o    4.421000      0.3883000       4.208000 0.5923000       4.634000      0.5024000     -0.4262000      0.7767000
  1 1 1      -2   18   22 o    2.394000      0.5601000       2.596000 0.8143000       2.193000      0.7694000      0.4026000       1.120000
  1 1 1      -2   18   23 o    1.791000      0.5315000       1.646000 0.7305000       1.935000      0.7723000     -0.2890000       1.063000
  1 1 1      -2   18   24 f    8.985000      0.3140000       9.094000 0.3751000       8.876000      0.5037000      0.2182000      0.6280000
  1 1 1      -2   18   25 o    1.946000      0.5969000       1.842000 0.8085000       2.050000      0.8783000     -0.2077000       1.194000
  1 1 1      -2   18   26 o    6.843000      0.3303000       6.730000 0.4894000       6.956000      0.4437000     -0.2263000      0.6607000
  1 1 1      -2   18   27 f    1.614000      0.5219000       1.565000 0.7272000       1.663000      0.7489000     -0.9794000E-01   1.044000
  1 1 1      -2   18   28 o    5.275000      0.6909000       4.658000 1.185000       5.893000      0.7111000      -1.235000       1.382000
  1 1 1      -2   18   29 o    3.838000      0.7235000       2.963000 1.170000       4.713000      0.8517000      -1.750000       1.447000
  1 1 1      -2   18   30 o    1.792000      0.5685000       1.788000 0.8037000       1.796000      0.8041000     -0.7332000E-02   1.137000
  1 1 1      -2   18   31 o    1.774000      0.5652000       1.538000 0.7260000       2.010000      0.8665000     -0.4722000       1.130000
  1 1 1      -2   19    1 o    4.621000      0.5675000       4.504000 0.7055000       4.738000      0.8891000     -0.2345000       1.135000
  1 1 1      -2   19    2 o    3.686000      0.5066000       3.503000 0.7129000       3.870000      0.7201000     -0.3665000       1.013000
  1 1 1      -2   19    3 o    6.794000      0.3086000       6.275000 0.4356000       7.313000      0.4372000      -1.037000      0.6172000
  1 1 1      -2   19    4 o    7.184000      0.6718000       8.094000 0.4052000       6.274000       1.281000       1.820000       1.344000
  1 1 1      -2   19    5 o    5.116000      0.3574000       5.409000 0.4871000       4.822000      0.5231000      0.5868000      0.7148000
  1 1 1      -2   19    6 o    4.665000      0.3495000       5.048000 0.4782000       4.282000      0.5098000      0.7656000      0.6990000
  1 1 1      -2   19    7 o    3.014000      0.4694000       2.470000 0.7715000       3.557000      0.5349000      -1.087000      0.9388000
  1 1 1      -2   19    8 o    5.201000      0.3103000       5.232000 0.4666000       5.170000      0.4092000      0.6258000E-01  0.6206000
  1 1 1      -2   19    9 o    4.917000      0.2992000       4.822000 0.4652000       5.012000      0.3765000     -0.1903000      0.5984000
  1 1 1      -2   19   10 o    4.133000      0.3465000       4.195000 0.5262000       4.070000      0.4510000      0.1250000      0.6930000
  1 1 1      -2   19   11 o    1.731000      0.4712000       1.523000 0.6596000       1.940000      0.6731000     -0.4166000      0.9423000
  1 1 1      -2   19   12 o    10.57000      0.2255000       10.85000 0.3370000       10.28000      0.2998000      0.5764000      0.4511000
  1 1 1      -2   19   13 o    4.046000      0.3956000       3.740000 0.6405000       4.352000      0.4647000     -0.6120000      0.7913000
  1 1 1      -2   19   14 o    3.458000      0.4226000       3.080000 0.6921000       3.835000      0.4852000     -0.7546000      0.8453000
  1 1 1      -2   19   15 o    7.792000      0.2344000       8.014000 0.3433000       7.569000      0.3193000      0.4454000      0.4688000
  1 1 1      -2   19   16 o    6.785000      0.2489000       6.749000 0.3648000       6.820000      0.3388000     -0.7088000E-01  0.4979000
  1 1 1      -2   19   17 o    6.337000      0.2628000       6.155000 0.3939000       6.519000      0.3479000     -0.3641000      0.5255000
  1 1 1      -2   19   18 o    7.807000      0.2470000       7.617000 0.3650000       7.998000      0.3328000     -0.3810000      0.4939000
  1 1 1      -2   19   19 o    4.217000      0.3893000       4.422000 0.5411000       4.011000      0.5600000      0.4112000      0.7787000
  1 1 1      -2   19   20 o    7.442000      0.2698000       7.622000 0.3761000       7.262000      0.3869000      0.3601000      0.5396000
  1 1 1      -2   19   21 o    6.768000      0.2811000       7.043000 0.3951000       6.493000      0.3998000      0.5498000      0.5621000
  1 1 1      -2   19   22 o    2.669000      0.6051000       1.792000 0.7816000       3.546000      0.9241000      -1.754000       1.210000
  1 1 1      -2   19   23 o    6.495000      0.3947000       7.109000 0.5064000       5.881000      0.6056000       1.228000      0.7894000
  1 1 1      -2   19   24 o    4.773000      0.4074000       4.865000 0.5893000       4.681000      0.5627000      0.1841000      0.8148000
  1 1 1      -2   19   25 o    9.094000      0.2859000       8.900000 0.4092000       9.287000      0.3995000     -0.3862000      0.5719000
  1 1 1      -2   19   26 o    3.870000      0.7982000       3.318000 1.223000       4.423000       1.026000      -1.105000       1.596000
  1 1 1      -2   19   27 f    3.981000      0.7946000       4.992000 1.165000       2.970000       1.081000       2.022000       1.589000
  1 1 1      -2   19   28 o    3.765000      0.6012000       3.817000 0.8719000       3.713000      0.8280000      0.1035000       1.202000
  1 1 1      -2   19   29 o    1.797000      0.5676000       1.729000 0.7912000       1.865000      0.8141000     -0.1359000       1.135000
  1 1 1      -2   19   30 o    2.947000      0.6429000       3.323000 0.9068000       2.572000      0.9114000      0.7513000       1.286000
  1 1 1      -2   19   31 f    3.559000       1.168000       3.559000 1.168000                  ?              ?              ?              ?
  1 1 1      -2   20    1 o    2.276000      0.6380000       2.792000 0.9620000       1.760000      0.8383000       1.032000       1.276000
  1 1 1      -2   20    2 o    5.374000      0.4207000       4.969000 0.5793000       5.779000      0.6103000     -0.8097000      0.8415000
  1 1 1      -2   20    3 o    4.132000      0.5151000       4.600000 0.6234000       3.663000      0.8202000      0.9370000       1.030000
  1 1 1      -2   20    4 o    7.884000      0.3145000       7.675000 0.4490000       8.093000      0.4406000     -0.4172000      0.6291000
  1 1 1      -2   20    5 o    2.514000      0.5710000       2.744000 0.8172000       2.285000      0.7978000      0.4593000       1.142000
  1 1 1      -2   20    6 f    4.453000      0.3670000       4.103000 0.5608000       4.804000      0.4735000     -0.7008000      0.7339000
  1 1 1      -2   20    7 o    9.562000      0.2617000       9.357000 0.3939000       9.767000      0.3447000     -0.4097000      0.5234000
  1 1 1      -2   20    8 o    4.810000      0.3450000       4.984000 0.5043000       4.636000      0.4709000      0.3487000      0.6900000
  1 1 1      -2   20    9 o    5.131000      0.3266000       5.322000 0.4872000       4.941000      0.4350000      0.3815000      0.6531000
  1 1 1      -2   20   10 o    2.141000      0.5470000       2.210000 0.8079000       2.073000      0.7378000      0.1367000       1.094000
  1 1 1      -2   20   11 o    6.954000      0.2570000       6.674000 0.3953000       7.233000      0.3286000     -0.5586000      0.5141000
  1 1 1      -2   20   12 o    4.836000      0.3318000       4.717000 0.5054000       4.955000      0.4300000     -0.2387000      0.6636000
  1 1 1      -2   20   13 o    4.120000      0.3756000       4.299000 0.5603000       3.941000      0.5004000      0.3584000      0.7512000
  1 1 1      -2   20   14 o    9.719000      0.2394000       9.782000 0.3587000       9.656000      0.3171000      0.1264000      0.4788000
  1 1 1      -2   20   15 o    6.329000      0.2785000       6.442000 0.4143000       6.216000      0.3722000      0.2253000      0.5569000
  1 1 1      -2   20   16 o    2.105000      0.5460000       2.318000 0.8082000       1.893000      0.7344000      0.4244000       1.092000
  1 1 1      -2   20   17 o    5.977000      0.2847000       5.951000 0.4163000       6.003000      0.3885000     -0.5186000E-01  0.5694000
  1 1 1      -2   20   18 o    1.717000      0.4978000       1.383000 0.6455000       2.052000      0.7580000     -0.6697000      0.9956000
  1 1 1      -2   20   19 o    3.498000      0.4588000       3.559000 0.6941000       3.438000      0.6002000      0.1210000      0.9176000
  1 1 1      -2   20   20 o    5.699000      0.5736000       5.699000 0.5736000                  ?              ?              ?              ?
  1 1 1      -2   20   21 o    2.188000      0.6168000       1.717000 0.7682000       2.660000      0.9652000     -0.9435000       1.234000
  1 1 1      -2   20   22 o    1.475000      0.4736000       1.147000 0.5610000       1.802000      0.7632000     -0.6552000      0.9472000
  1 1 1      -2   20   23 o    6.051000      0.3424000       5.790000 0.5054000       6.312000      0.4620000     -0.5217000      0.6847000
  1 1 1      -2   20   24 o    4.633000      0.7284000       3.660000 1.258000       5.605000      0.7345000      -1.945000       1.457000
  1 1 1      -2   20   25 o    6.813000      0.5958000       6.172000 0.9710000       7.453000      0.6908000      -1.281000       1.192000
  1 1 1      -2   20   26 o    2.190000      0.5837000       1.525000 0.7224000       2.856000      0.9170000      -1.331000       1.167000
  1 1 1      -2   20   27 o    5.027000      0.4912000       5.666000 0.6392000       4.389000      0.7459000       1.277000      0.9824000
  1 1 1      -2   20   28 o    2.708000      0.6604000       2.960000 0.9498000       2.455000      0.9179000      0.5045000       1.321000
  1 1 1      -2   20   29 o    2.604000      0.6697000       2.746000 0.9554000       2.462000      0.9388000      0.2839000       1.339000
  1 1 1      -2   20   30 o    1.767000      0.5682000       1.541000 0.7387000       1.992000      0.8636000     -0.4509000       1.136000
  1 1 1      -2   21    1 o    4.152000      0.7027000       4.243000 0.9201000       4.060000       1.062000      0.1828000       1.405000
  1 1 1      -2   21    2 o    4.461000      0.5307000       5.081000 0.6235000       3.840000      0.8589000       1.241000       1.061000
  1 1 1      -2   21    3 o    6.800000       1.053000       5.447000 2.057000       8.152000      0.4550000      -2.706000       2.106000
  1 1 1      -2   21    4 o    7.672000      0.3367000       7.640000 0.4583000       7.705000      0.4934000     -0.6495000E-01  0.6734000
  1 1 1      -2   21    5 o    3.589000      0.5564000       3.216000 0.8339000       3.962000      0.7368000     -0.7459000       1.113000
  1 1 1      -2   21    6 o    2.766000      0.5506000       2.622000 0.8112000       2.911000      0.7446000     -0.2889000       1.101000
  1 1 1      -2   21    7 o    7.890000      0.2775000       8.133000 0.3971000       7.648000      0.3876000      0.4849000      0.5550000
  1 1 1      -2   21    8 o    8.628000      0.2779000       8.958000 0.4166000       8.297000      0.3679000      0.6616000      0.5558000
  1 1 1      -2   21    9 o    1.915000      0.5417000       1.847000 0.7835000       1.984000      0.7482000     -0.1361000       1.083000
  1 1 1      -2   21   10 o    7.523000      0.2926000       7.231000 0.4467000       7.814000      0.3780000     -0.5832000      0.5852000
  1 1 1      -2   21   11 o    5.865000      0.3097000       5.640000 0.4905000       6.091000      0.3783000     -0.4512000      0.6194000
  1 1 1      -2   21   12 f    4.484000      0.3951000       4.032000 0.6475000       4.937000      0.4528000     -0.9052000      0.7901000
  1 1 1      -2   21   13 o    4.615000      0.3669000       4.439000 0.5819000       4.791000      0.4469000     -0.3521000      0.7337000
  1 1 1      -2   21   14 o    3.422000      0.5190000       3.434000 0.7944000       3.411000      0.6680000      0.2368000E-01   1.038000
  1 1 1      -2   21   15 o    6.008000      0.3232000       5.985000 0.5012000       6.032000      0.4083000     -0.4753000E-01  0.6465000
  1 1 1      -2   21   16 o    2.472000      0.5637000       2.335000 0.8375000       2.608000      0.7547000     -0.2731000       1.127000
  1 1 1      -2   21   17 o    3.146000      0.6115000       3.777000 0.8348000       2.515000      0.8938000       1.262000       1.223000
  1 1 1      -2   21   18 o    2.637000      0.6528000       2.510000 0.9221000       2.763000      0.9244000     -0.2523000       1.306000
  1 1 1      -2   21   19 o    5.310000      0.3443000       5.222000 0.5173000       5.398000      0.4545000     -0.1757000      0.6886000
  1 1 1      -2   21   20 o    4.071000      0.7182000       4.071000 0.7182000                  ?              ?              ?              ?
  1 1 1      -2   21   21 f    3.836000      0.6601000       3.217000 1.199000       4.455000      0.5517000      -1.238000       1.320000
  1 1 1      -2   21   22 o    3.172000       1.055000                  ?       ?   3.172000       1.055000                  ?              ?
  1 1 1      -2   21   23 o    1.947000      0.5888000       2.232000 0.8706000       1.662000      0.7930000      0.5704000       1.178000
  1 1 1      -2   21   24 f    8.102000      0.3455000       8.451000 0.5353000       7.753000      0.4370000      0.6977000      0.6910000
  1 1 1      -2   21   25 o    2.245000      0.6129000       2.022000 0.8385000       2.468000      0.8941000     -0.4455000       1.226000
  1 1 1      -2   21   26 o    2.794000      0.6743000       2.940000 0.9725000       2.647000      0.9343000      0.2932000       1.349000
  1 1 1      -2   21   27 o    4.703000      0.5366000       4.829000 0.8104000       4.577000      0.7036000      0.2522000       1.073000
  1 1 1      -2   21   28 o    1.927000      0.5972000       2.163000 0.9013000       1.691000      0.7838000      0.4722000       1.194000
  1 1 1      -2   21   29 o    2.049000      0.6171000       2.407000 0.9456000       1.691000      0.7932000      0.7163000       1.234000
  1 1 1      -2   22    1 o    5.116000      0.6812000       5.658000 0.7594000       4.573000       1.131000       1.085000       1.362000
  1 1 1      -2   22    2 o    4.941000      0.5441000       4.759000 0.7773000       5.124000      0.7615000     -0.3649000       1.088000
  1 1 1      -2   22    3 f    4.369000      0.5873000       4.972000 0.7042000       3.766000      0.9400000       1.206000       1.175000
  1 1 1      -2   22    4 o    4.508000      0.5439000       4.341000 0.7617000       4.676000      0.7766000     -0.3350000       1.088000
  1 1 1      -2   22    5 o    6.045000      0.3901000       6.006000 0.5506000       6.085000      0.5528000     -0.7943000E-01  0.7802000
  1 1 1      -2   22    6 o    3.203000      0.5671000       3.856000 0.7671000       2.550000      0.8356000       1.306000       1.134000
  1 1 1      -2   22    7 o    6.815000      0.3267000       7.029000 0.4722000       6.601000      0.4515000      0.4285000      0.6534000
  1 1 1      -2   22    8 o    2.181000      0.5661000       1.794000 0.7939000       2.569000      0.8071000     -0.7748000       1.132000
  1 1 1      -2   22    9 o    7.597000      0.2984000       7.706000 0.4482000       7.487000      0.3939000      0.2196000      0.5967000
  1 1 1      -2   22   10 o    6.696000      0.3225000       7.001000 0.4703000       6.391000      0.4413000      0.6102000      0.6449000
  1 1 1      -2   22   11 o    1.632000      0.5041000       1.415000 0.6751000       1.848000      0.7489000     -0.4334000       1.008000
  1 1 1      -2   22   12 f    2.523000      0.5960000       2.712000 0.8849000       2.334000      0.7986000      0.3779000       1.192000
  1 1 1      -2   22   13 o    5.217000      0.3459000       5.759000 0.5226000       4.675000      0.4534000       1.085000      0.6918000
  1 1 1      -2   22   14 o    3.260000      0.6827000       2.317000 0.9994000       4.204000      0.9305000      -1.887000       1.365000
  1 1 1      -2   22   15 o    2.692000      0.7275000       3.313000 1.130000       2.071000      0.9167000       1.242000       1.455000
  1 1 1      -2   22   16 o    5.894000      0.3395000       6.014000 0.5153000       5.774000      0.4421000      0.2404000      0.6790000
  1 1 1      -2   22   17 o    6.547000      0.3221000       6.961000 0.4730000       6.132000      0.4374000      0.8288000      0.6442000
  1 1 1      -2   22   18 o    3.829000      0.5188000       4.203000 0.7395000       3.455000      0.7278000      0.7476000       1.038000
  1 1 1      -2   22   19 o    7.085000      0.4680000       7.572000 0.7336000       6.599000      0.5813000      0.9731000      0.9360000
  1 1 1      -2   22   20 o    7.297000      0.4718000       7.256000 0.7879000       7.339000      0.5194000     -0.8296000E-01  0.9437000
  1 1 1      -2   22   21 o    3.571000      0.5591000       3.971000 0.7875000       3.171000      0.7938000      0.7999000       1.118000
  1 1 1      -2   22   22 o    4.693000      0.6267000                  ?       ?   4.693000      0.6267000                  ?              ?
  1 1 1      -2   22   23 o    4.043000      0.5630000       4.350000 0.7476000       3.736000      0.8420000      0.6140000       1.126000
  1 1 1      -2   22   24 o    2.652000      0.6546000       2.336000 0.9221000       2.968000      0.9292000     -0.6319000       1.309000
  1 1 1      -2   22   25 o    2.987000      0.6731000       2.896000 0.9774000       3.078000      0.9256000     -0.1820000       1.346000
  1 1 1      -2   22   26 o    3.258000      0.6009000       2.243000 0.9401000       4.273000      0.7487000      -2.030000       1.202000
  1 1 1      -2   22   27 o    4.678000      0.5334000       5.163000 0.7395000       4.192000      0.7688000      0.9713000       1.067000
  1 1 1      -2   22   28 o    2.504000      0.6487000       2.067000 0.8958000       2.942000      0.9385000     -0.8751000       1.297000
  1 1 1      -2   23    1 o    3.548000      0.8132000       3.605000 1.047000       3.491000       1.244000      0.1139000       1.626000
  1 1 1      -2   23    2 o    3.893000      0.6803000       3.810000 0.9130000       3.976000       1.009000     -0.1662000       1.361000
  1 1 1      -2   23    3 o    6.251000      0.4321000       6.303000 0.6195000       6.199000      0.6026000      0.1036000      0.8642000
  1 1 1      -2   23    4 o    7.067000      0.4134000       7.066000 0.5806000       7.068000      0.5888000     -0.1870000E-02  0.8269000
  1 1 1      -2   23    5 o    3.202000      0.6612000       3.028000 0.9680000       3.376000      0.9009000     -0.3484000       1.322000
  1 1 1      -2   23    6 o    3.205000      0.6316000       3.393000 0.8837000       3.016000      0.9027000      0.3770000       1.263000
  1 1 1      -2   23    7 o    3.111000      0.5823000       3.859000 0.7972000       2.362000      0.8488000       1.497000       1.165000
  1 1 1      -2   23    8 o    7.334000      0.3475000       7.926000 0.4945000       6.743000      0.4884000       1.182000      0.6950000
  1 1 1      -2   23    9 o    4.898000      0.7499000       5.562000 0.6480000       4.233000       1.353000       1.329000       1.500000
  1 1 1      -2   23   10 o    4.263000      0.9788000       3.587000 1.459000       4.938000       1.306000      -1.350000       1.958000
  1 1 1      -2   23   11 o    2.995000      0.8837000       2.530000 1.201000       3.460000       1.297000     -0.9300000       1.767000
  1 1 1      -2   23   12 o    3.227000      0.9009000       3.910000 1.402000       2.543000       1.132000       1.367000       1.802000
  1 1 1      -2   23   13 o    4.198000      0.4564000       4.531000 0.6661000       3.866000      0.6242000      0.6653000      0.9128000
  1 1 1      -2   23   14 o    2.354000      0.5905000       2.150000 0.8619000       2.558000      0.8074000     -0.4083000       1.181000
  1 1 1      -2   23   15 o    3.618000      0.5658000       3.018000 0.9176000       4.218000      0.6623000      -1.201000       1.132000
  1 1 1      -2   23   16 o    8.584000      0.3898000       8.875000 0.5979000       8.293000      0.5003000      0.5821000      0.7796000
  1 1 1      -2   23   17 o    6.756000      0.4413000       7.233000 0.6710000       6.279000      0.5732000      0.9531000      0.8826000
  1 1 1      -2   23   18 o    7.635000      0.3227000       7.997000 0.4898000       7.272000      0.4203000      0.7254000      0.6453000
  1 1 1      -2   23   19 o    9.632000      0.2918000       9.475000 0.4368000       9.788000      0.3871000     -0.3124000      0.5836000
  1 1 1      -2   23   20 o    4.849000      0.4643000       5.497000 0.5907000       4.201000      0.7164000       1.296000      0.9285000
  1 1 1      -2   23   21 o    7.482000      0.3301000       7.411000 0.4930000       7.554000      0.4390000     -0.1424000      0.6601000
  1 1 1      -2   23   22 o    6.202000      0.3895000       5.633000 0.6226000       6.771000      0.4682000      -1.138000      0.7791000
  1 1 1      -2   23   23 o    1.733000      0.5548000       1.928000 0.8466000       1.538000      0.7172000      0.3906000       1.110000
  1 1 1      -2   23   24 o    4.357000      0.5618000       4.325000 0.8114000       4.389000      0.7773000     -0.6452000E-01   1.124000
  1 1 1      -2   23   25 o    3.528000      0.6728000       3.536000 0.9714000       3.521000      0.9313000      0.1456000E-01   1.346000
  1 1 1      -2   23   26 o    3.745000      0.6687000       3.326000 1.018000       4.164000      0.8673000     -0.8377000       1.337000
  1 1 1      -2   23   27 o    3.694000      0.7271000       4.959000 1.090000       2.429000      0.9621000       2.530000       1.454000
  1 1 1      -2   24    1 o    2.900000      0.8370000       2.911000 1.120000       2.890000       1.244000      0.2104000E-01   1.674000
  1 1 1      -2   24    2 o    3.486000      0.7355000       3.926000 0.9217000       3.045000       1.146000      0.8804000       1.471000
  1 1 1      -2   24    3 o    2.369000      0.6769000       2.405000 0.9453000       2.333000      0.9691000      0.7244000E-01   1.354000
  1 1 1      -2   24    4 o    7.142000      0.4365000       6.918000 0.6156000       7.365000      0.6189000     -0.4468000      0.8729000
  1 1 1      -2   24    5 o    4.770000       1.152000       4.327000 1.361000       5.214000       1.859000     -0.8874000       2.304000
  1 1 1      -2   24    6 o    3.643000       1.061000       3.281000 1.289000       4.005000       1.685000     -0.7237000       2.122000
  1 1 1      -2   24    7 o    3.925000       1.068000       3.540000 1.297000       4.311000       1.697000     -0.7719000       2.136000
  1 1 1      -2   24    8 o    5.217000      0.9516000       3.496000 1.297000       6.938000       1.393000      -3.442000       1.903000
  1 1 1      -2   24    9 f    3.552000      0.5779000       3.503000 0.8253000       3.601000      0.8092000     -0.9818000E-01   1.156000
  1 1 1      -2   24   10 o    2.340000      0.6145000       2.222000 0.8900000       2.457000      0.8474000     -0.2353000       1.229000
  1 1 1      -2   24   11 o    7.659000      0.3443000       7.476000 0.5230000       7.841000      0.4479000     -0.3653000      0.6886000
  1 1 1      -2   24   12 o    2.367000      0.6121000       1.961000 0.8732000       2.774000      0.8580000     -0.8133000       1.224000
  1 1 1      -2   24   13 o    2.119000      0.6105000       2.796000 1.016000       1.443000      0.6769000       1.353000       1.221000
  1 1 1      -2   24   14 o    6.034000      0.4624000       5.994000 0.7317000       6.074000      0.5654000     -0.8001000E-01  0.9247000
  1 1 1      -2   24   15 o    7.390000      0.3700000       6.878000 0.5284000       7.903000      0.5180000      -1.026000      0.7399000
  1 1 1      -2   24   16 o    6.237000      0.3806000       6.481000 0.5772000       5.994000      0.4962000      0.4866000      0.7611000
  1 1 1      -2   24   17 o    4.705000      0.5003000       4.361000 0.8196000       5.050000      0.5739000     -0.6886000       1.001000
  1 1 1      -2   24   18 o    6.510000      0.3920000       5.874000 0.6385000       7.147000      0.4551000      -1.273000      0.7841000
  1 1 1      -2   24   19 o    4.954000      0.5065000       4.562000 0.8126000       5.346000      0.6048000     -0.7840000       1.013000
  1 1 1      -2   24   20 o    2.729000      0.6648000       2.973000 0.9796000       2.486000      0.8991000      0.4872000       1.330000
  1 1 1      -2   24   21 o    3.730000      0.6325000       4.229000 0.8787000       3.232000      0.9101000      0.9977000       1.265000
  1 1 1      -2   24   22 o    2.395000      0.6418000       1.971000 0.8767000       2.818000      0.9377000     -0.8464000       1.284000
  1 1 1      -2   24   23 o    2.719000      0.6628000       2.183000 0.9277000       3.255000      0.9467000      -1.072000       1.326000
  1 1 1      -2   24   24 o    2.972000      0.7194000       3.150000 1.046000       2.795000      0.9876000      0.3556000       1.439000
  1 1 1      -2   24   25 o    3.114000      0.7008000       3.201000 0.9812000       3.028000       1.001000      0.1726000       1.402000
  1 1 1      -2   25    1 f    5.236000       1.141000       4.421000 1.497000       6.051000       1.722000      -1.631000       2.282000
  1 1 1      -2   25    2 o    3.587000       1.030000       2.360000 1.118000       4.815000       1.730000      -2.455000       2.060000
  1 1 1      -2   25    3 o    3.127000      0.8135000       3.319000 1.326000       2.935000      0.9431000      0.3831000       1.627000
  1 1 1      -2   25    4 o    3.237000      0.7512000       2.626000 1.038000       3.848000       1.086000      -1.222000       1.502000
  1 1 1      -2   25    5 o    4.070000      0.6768000       4.604000 0.8453000       3.536000       1.057000       1.067000       1.354000
  1 1 1      -2   25    6 o    2.325000      0.6387000       2.488000 0.9065000       2.163000      0.9002000      0.3255000       1.277000
  1 1 1      -2   25    7 o    3.030000      0.6206000       3.914000 0.9032000       2.145000      0.8514000       1.770000       1.241000
  1 1 1      -2   25    8 o    3.021000      0.6432000       2.419000 0.9406000       3.624000      0.8777000      -1.204000       1.286000
  1 1 1      -2   25    9 o    2.932000      0.6788000       3.611000 1.011000       2.252000      0.9061000       1.359000       1.358000
  1 1 1      -2   25   10 o    7.928000      0.3955000       8.035000 0.5842000       7.820000      0.5332000      0.2146000      0.7910000
  1 1 1      -2   25   11 o    8.836000      0.3272000       8.999000 0.5265000       8.673000      0.3885000      0.3258000      0.6543000
  1 1 1      -2   25   12 o    2.677000      0.6224000       2.272000 0.9137000       3.082000      0.8454000     -0.8106000       1.245000
  1 1 1      -2   25   13 o    2.045000      0.5968000       2.033000 0.8678000       2.056000      0.8196000     -0.2295000E-01   1.194000
  1 1 1      -2   25   14 o    1.890000      0.5840000       1.790000 0.8210000       1.990000      0.8309000     -0.2006000       1.168000
  1 1 1      -2   25   15 o    3.890000      0.6189000       3.718000 0.9696000       4.063000      0.7694000     -0.3453000       1.238000
  1 1 1      -2   25   16 o    3.286000      0.6586000       2.937000 1.011000       3.634000      0.8447000     -0.6975000       1.317000
  1 1 1      -2   25   17 o    4.038000      0.5741000       4.076000 0.8687000       4.001000      0.7507000      0.7559000E-01   1.148000
  1 1 1      -2   25   18 o    2.019000      0.6166000       1.960000 0.8837000       2.078000      0.8603000     -0.1183000       1.233000
  1 1 1      -2   25   19 o    2.956000      0.6423000       2.136000 0.9222000       3.776000      0.8943000      -1.639000       1.285000
  1 1 1      -2   25   20 o    4.549000      0.5966000       4.289000 0.9454000       4.808000      0.7282000     -0.5181000       1.193000
  1 1 1      -2   25   21 o    3.355000      0.7530000       2.858000 1.067000       3.851000       1.063000     -0.9938000       1.506000
  1 1 1      -2   25   22 o    4.283000      0.6259000       5.028000 0.8276000       3.538000      0.9393000       1.490000       1.252000
  1 1 1      -2   25   23 o    2.745000      0.6883000       2.949000 1.005000       2.541000      0.9410000      0.4086000       1.377000
  1 1 1      -2   25   24 o    2.302000      0.6647000       2.016000 0.9036000       2.588000      0.9751000     -0.5722000       1.329000
  1 1 1      -2   26    1 o    2.049000      0.6770000       1.791000 0.8591000       2.306000       1.047000     -0.5145000       1.354000
  1 1 1      -2   26    2 o    3.285000      0.7154000       2.972000 0.9898000       3.599000       1.033000     -0.6275000       1.431000
  1 1 1      -2   26    3 o    4.371000      0.7092000       4.347000 1.024000       4.396000      0.9821000     -0.4872000E-01   1.418000
  1 1 1      -2   26    4 o    3.312000      0.7591000       2.861000 1.083000       3.763000       1.064000     -0.9015000       1.518000
  1 1 1      -2   26    5 o    3.451000      0.7296000       4.413000 1.036000       2.490000       1.028000       1.923000       1.459000
  1 1 1      -2   26    6 o    5.041000      0.5940000       4.592000 0.9235000       5.489000      0.7474000     -0.8970000       1.188000
  1 1 1      -2   26    7 o    1.969000      0.6011000       2.232000 0.9150000       1.705000      0.7798000      0.5269000       1.202000
  1 1 1      -2   26    8 o    3.103000      0.5994000       3.935000 0.8118000       2.270000      0.8821000       1.665000       1.199000
  1 1 1      -2   26    9 o    2.636000      0.5586000       1.613000 0.7588000       3.659000      0.8200000      -2.046000       1.117000
  1 1 1      -2   26   10 o    1.970000      0.6090000       2.161000 0.9130000       1.779000      0.8062000      0.3817000       1.218000
  1 1 1      -2   26   11 o    4.307000      0.5459000       4.714000 0.7724000       3.900000      0.7717000      0.8143000       1.092000
  1 1 1      -2   26   12 o    5.969000      0.7019000       6.658000 0.6186000       5.280000       1.260000       1.378000       1.404000
  1 1 1      -2   26   13 o    4.207000      0.5831000       4.358000 0.8615000       4.057000      0.7859000      0.3015000       1.166000
  1 1 1      -2   26   14 o    4.803000      0.5638000       4.624000 0.8670000       4.983000      0.7210000     -0.3587000       1.128000
  1 1 1      -2   26   15 o    4.090000      0.6311000       4.378000 0.8844000       3.801000      0.9006000      0.5769000       1.262000
  1 1 1      -2   26   16 o    3.318000      0.6771000       2.873000 1.029000       3.764000      0.8805000     -0.8913000       1.354000
  1 1 1      -2   26   17 f    3.814000      0.6129000       2.749000 1.021000       4.878000      0.6784000      -2.128000       1.226000
  1 1 1      -2   26   18 f    2.991000      0.6578000       2.349000 0.9730000       3.633000      0.8854000      -1.283000       1.316000
  1 1 1      -2   26   19 o    3.004000      0.7001000       3.255000 1.029000       2.753000      0.9491000      0.5027000       1.400000
  1 1 1      -2   26   20 o    2.414000      0.6847000       2.975000 1.077000       1.852000      0.8460000       1.123000       1.369000
  1 1 1      -2   26   21 o    2.591000       1.045000       2.591000 1.045000                  ?              ?              ?              ?
  1 1 1      -2   26   22 o    3.570000      0.7254000       3.613000 1.073000       3.526000      0.9761000      0.8627000E-01   1.451000
  1 1 1      -2   26   23 o    4.157000      0.9617000                  ?       ?   4.157000      0.9617000                  ?              ?
  1 1 1      -2   27    1 o    2.253000      0.6925000       2.429000 1.013000       2.078000      0.9444000      0.3515000       1.385000
  1 1 1      -2   27    2 o    3.462000      0.7406000       3.696000 1.034000       3.228000       1.061000      0.4674000       1.481000
  1 1 1      -2   27    3 o    3.369000      0.6945000       4.278000 0.9493000       2.460000       1.014000       1.818000       1.389000
  1 1 1      -2   27    4 o    2.048000      0.6479000       2.096000 0.9264000       2.001000      0.9060000      0.9481000E-01   1.296000
  1 1 1      -2   27    5 o    3.552000      0.7654000       3.427000 1.106000       3.676000       1.059000     -0.2485000       1.531000
  1 1 1      -2   27    6 o    2.653000      0.6939000       3.057000 1.011000       2.248000      0.9505000      0.8099000       1.388000
  1 1 1      -2   27    7 o    3.132000      0.6394000       2.121000 0.9127000       4.143000      0.8957000      -2.022000       1.279000
  1 1 1      -2   27    8 o    3.359000      0.6666000       2.660000 1.003000       4.057000      0.8784000      -1.397000       1.333000
  1 1 1      -2   27    9 o    2.769000      0.7046000       2.996000 1.044000       2.542000      0.9465000      0.4539000       1.409000
  1 1 1      -2   27   10 o    3.076000      0.6495000       4.122000 0.9585000       2.030000      0.8768000       2.092000       1.299000
  1 1 1      -2   27   11 o    2.898000      0.6582000       2.301000 0.9661000       3.495000      0.8942000      -1.194000       1.316000
  1 1 1      -2   27   12 o    3.756000      0.6085000       3.066000 1.001000       4.446000      0.6922000      -1.380000       1.217000
  1 1 1      -2   27   13 o    2.452000      0.6577000       2.407000 0.9618000       2.496000      0.8974000     -0.8975000E-01   1.315000
  1 1 1      -2   27   14 o    2.904000      0.6558000       2.418000 0.9727000       3.390000      0.8797000     -0.9725000       1.312000
  1 1 1      -2   27   15 o    2.351000      0.6746000       2.260000 0.9742000       2.442000      0.9335000     -0.1812000       1.349000
  1 1 1      -2   27   16 f    5.922000      0.5039000       5.240000 0.8177000       6.604000      0.5892000      -1.364000       1.008000
  1 1 1      -2   27   17 o    2.503000      0.7045000       2.475000 1.023000       2.531000      0.9687000     -0.5620000E-01   1.409000
  1 1 1      -2   27   18 o    3.362000      0.6917000       2.750000 1.045000       3.975000      0.9061000      -1.225000       1.383000
  1 1 1      -2   27   19 o    4.447000      0.6417000       4.533000 0.9456000       4.362000      0.8678000      0.1706000       1.283000
  1 1 1      -2   27   20 o    2.440000      0.6880000       2.011000 0.9155000       2.868000       1.027000     -0.8568000       1.376000
  1 1 1      -2   27   21 o    2.682000      0.7217000       2.870000 1.073000       2.494000      0.9660000      0.3752000       1.443000
  1 1 1      -2   28    1 o    3.519000      0.8330000       3.566000 1.149000       3.472000       1.206000      0.9402000E-01   1.666000
  1 1 1      -2   28    2 o    3.308000      0.7619000       3.943000 1.079000       2.674000       1.076000       1.269000       1.524000
  1 1 1      -2   28    3 o    4.356000      0.7161000       4.858000 0.9317000       3.853000       1.088000       1.005000       1.432000
  1 1 1      -2   28    4 o    3.243000      0.7759000       3.003000 1.095000       3.483000       1.100000     -0.4799000       1.552000
  1 1 1      -2   28    5 o    4.432000      0.6779000       4.958000 0.8854000       3.906000       1.027000       1.052000       1.356000
  1 1 1      -2   28    6 o    5.187000      0.6631000       5.683000 0.8773000       4.691000      0.9945000      0.9920000       1.326000
  1 1 1      -2   28    7 o    3.208000      0.6661000       2.224000 0.9533000       4.191000      0.9307000      -1.967000       1.332000
  1 1 1      -2   28    8 o    3.553000      0.6895000       2.914000 1.031000       4.192000      0.9157000      -1.277000       1.379000
  1 1 1      -2   28    9 o    5.556000      0.5354000       5.034000 0.8404000       6.078000      0.6636000      -1.044000       1.071000
  1 1 1      -2   28   10 o    3.986000      0.6844000       4.367000 0.9728000       3.606000      0.9629000      0.7609000       1.369000
  1 1 1      -2   28   11 o    2.252000      0.6731000       2.210000 0.9680000       2.294000      0.9356000     -0.8420000E-01   1.346000
  1 1 1      -2   28   12 o    2.829000      0.7207000       2.804000 1.048000       2.854000      0.9892000     -0.4993000E-01   1.441000
  1 1 1      -2   28   13 o    2.696000      0.7043000       2.470000 0.9994000       2.921000      0.9925000     -0.4517000       1.409000
  1 1 1      -2   28   14 o    3.289000      0.7298000       3.228000 1.087000       3.350000      0.9736000     -0.1215000       1.460000
  1 1 1      -2   28   15 o    2.510000      0.7058000       2.518000 1.019000       2.501000      0.9768000      0.1714000E-01   1.412000
  1 1 1      -2   28   16 o    3.744000      0.7393000       4.031000 1.062000       3.458000       1.028000      0.5736000       1.479000
  1 1 1      -2   28   17 o    1.922000      0.6214000       1.827000 0.8655000       2.017000      0.8920000     -0.1896000       1.243000
  1 1 1      -2   28   18 o    2.202000      0.6677000       2.669000 1.060000       1.735000      0.8120000      0.9336000       1.335000
  1 1 1      -2   28   19 o    2.511000      0.7034000       2.265000 0.9901000       2.758000      0.9993000     -0.4931000       1.407000
  1 1 1      -2   29    1 o    4.615000      0.9183000       4.453000 1.236000       4.776000       1.358000     -0.3223000       1.837000
  1 1 1      -2   29    2 o    3.766000      0.8339000       3.459000 1.206000       4.073000       1.152000     -0.6145000       1.668000
  1 1 1      -2   29    3 o    3.226000      0.7740000       4.030000 1.160000       2.422000       1.025000       1.609000       1.548000
  1 1 1      -2   29    4 o    4.213000      0.7411000       4.763000 1.016000       3.664000       1.079000       1.099000       1.482000
  1 1 1      -2   29    5 o    7.042000      0.4812000       7.227000 0.6687000       6.857000      0.6920000      0.3697000      0.9623000
  1 1 1      -2   29    6 o    3.572000      0.7606000       3.442000 1.101000       3.702000       1.050000     -0.2597000       1.521000
  1 1 1      -2   29    7 o    1.780000      0.5911000       1.826000 0.8535000       1.733000      0.8180000      0.9350000E-01   1.182000
  1 1 1      -2   29    8 o    3.555000      0.7007000       2.790000 1.055000       4.321000      0.9229000      -1.531000       1.401000
  1 1 1      -2   29    9 o    4.997000      0.6012000       5.042000 0.8780000       4.952000      0.8216000      0.8922000E-01   1.202000
  1 1 1      -2   29   10 o    3.119000      0.7510000       3.044000 1.111000       3.193000       1.011000     -0.1489000       1.502000
  1 1 1      -2   29   11 o    3.945000      0.7327000       4.083000 1.071000       3.807000       1.000000      0.2764000       1.465000
  1 1 1      -2   29   12 o    4.729000      0.6263000       4.583000 0.9850000       4.875000      0.7738000     -0.2921000       1.253000
  1 1 1      -2   29   13 o    3.266000      0.7192000       2.884000 1.069000       3.647000      0.9623000     -0.7635000       1.438000
  1 1 1      -2   29   14 o    2.574000      0.7096000       2.701000 1.045000       2.448000      0.9607000      0.2530000       1.419000
  1 1 1      -2   29   15 o    2.544000      0.7300000       2.772000 1.080000       2.315000      0.9829000      0.4572000       1.460000
  1 1 1      -2   29   16 o    2.534000      0.7345000       2.638000 1.058000       2.430000       1.019000      0.2079000       1.469000
  1 1 1      -2   29   17 o    2.388000      0.7163000       2.416000 1.029000       2.360000      0.9971000      0.5593000E-01   1.433000
  1 1 1      -2   30    1 o    2.628000      0.7788000       2.540000 1.082000       2.715000       1.120000     -0.1756000       1.558000
  1 1 1      -2   30    2 o    3.539000      0.8524000       3.576000 1.219000       3.501000       1.191000      0.7541000E-01   1.705000
  1 1 1      -2   30    3 o    4.101000      0.8187000       4.986000 1.127000       3.216000       1.188000       1.771000       1.637000
  1 1 1      -2   30    4 o    2.654000      0.7767000       2.474000 1.082000       2.833000       1.115000     -0.3592000       1.553000
  1 1 1      -2   30    5 o    5.973000      0.6179000       5.431000 0.9562000       6.515000      0.7829000      -1.083000       1.236000
  1 1 1      -2   30    6 o    3.278000      0.7503000       4.139000 1.103000       2.417000       1.017000       1.723000       1.501000
  1 1 1      -2   30    7 o    3.414000      0.8350000       3.252000 1.207000       3.575000       1.154000     -0.3228000       1.670000
  1 1 1      -2   30    8 o    3.196000      0.7520000       3.814000 1.104000       2.578000       1.022000       1.236000       1.504000
  1 1 1      -2   30    9 o    2.300000      0.6870000       2.706000 1.055000       1.893000      0.8808000      0.8124000       1.374000
  1 1 1      -2   30   10 o    3.082000      0.7914000       3.044000 1.150000       3.120000       1.088000     -0.7612000E-01   1.583000
  1 1 1      -2   30   11 o    2.529000      0.7369000       2.073000 0.9579000       2.986000       1.120000     -0.9122000       1.474000
  1 1 1      -2   30   12 o    2.839000      0.7676000       2.510000 1.062000       3.168000       1.109000     -0.6575000       1.535000
  1 1 1      -2   30   13 o    3.006000      0.7837000       3.302000 1.137000       2.710000       1.079000      0.5921000       1.567000
  1 1 1      -2   30   14 o    2.834000      0.7483000       2.260000 1.009000       3.408000       1.105000      -1.149000       1.497000
  1 1 1      -2   30   15 o    5.107000      0.8121000       5.391000 0.8292000       4.822000       1.397000      0.5693000       1.624000
  1 1 1      -2   31    1 o    3.117000      0.7906000       3.403000 1.121000       2.830000       1.115000      0.5729000       1.581000
  1 1 1      -2   31    2 f    2.758000      0.8209000       2.579000 1.106000       2.936000       1.213000     -0.3564000       1.642000
  1 1 1      -2   31    3 o    3.249000      0.8310000       3.755000 1.216000       2.744000       1.133000       1.011000       1.662000
  1 1 1      -2   31    4 o    2.551000      0.7808000       2.467000 1.100000       2.635000       1.108000     -0.1676000       1.562000
  1 1 1      -2   31    5 o    2.771000      0.7843000       2.575000 1.110000       2.966000       1.109000     -0.3906000       1.569000
  1 1 1      -2   31    6 o    2.510000      0.7544000       2.729000 1.116000       2.291000       1.015000      0.4380000       1.509000
  1 1 1      -2   31    7 o    3.135000      0.7838000       2.757000 1.110000       3.513000       1.106000     -0.7560000       1.568000
  1 1 1      -2   31    8 o    4.218000      0.8113000       4.576000 1.172000       3.861000       1.122000      0.7153000       1.623000
  1 1 1      -2   31    9 o    3.908000      0.7964000       4.277000 1.147000       3.539000       1.106000      0.7382000       1.593000
  1 1 1      -2   31   10 o    3.231000      0.8301000       3.115000 1.171000       3.347000       1.177000     -0.2325000       1.660000
  1 1 1      -2   31   11 o    2.286000      0.7146000       2.596000 1.085000       1.977000      0.9299000      0.6190000       1.429000
  1 1 1      -2   31   12 o    3.089000      0.8893000       3.367000 1.205000       2.810000       1.308000      0.5573000       1.779000
  1 1 1      -2   32    1 o    2.442000      0.7377000       2.614000 1.083000       2.271000       1.002000      0.3434000       1.475000
  1 1 1      -2   32    2 o    2.957000      0.7771000       3.638000 1.173000       2.277000       1.019000       1.362000       1.554000
  1 1 1      -2   32    3 o    3.276000      0.8225000       3.226000 1.168000       3.325000       1.158000     -0.9889000E-01   1.645000
  1 1 1      -2   32    4 o    2.790000      0.8074000       3.113000 1.211000       2.467000       1.068000      0.6464000       1.615000
  1 1 1      -2   32    5 o    3.372000      0.8442000       3.245000 1.214000       3.498000       1.173000     -0.2535000       1.688000
  1 1 1      -2   32    6 o    3.165000      0.8112000       3.220000 1.176000       3.111000       1.118000      0.1084000       1.622000
  1 1 1      -2   32    7 o    3.528000      0.7468000       2.541000 1.099000       4.515000       1.011000      -1.974000       1.494000
  1 1 1      -1  -33    1 o    2.888000      0.7710000       2.210000 1.023000       3.566000       1.154000      -1.355000       1.542000
  1 1 1      -1  -33    2 o    2.568000      0.7283000       1.892000 0.9151000       3.244000       1.133000      -1.353000       1.457000
  1 1 1      -1  -33    3 o    2.692000      0.7819000       2.537000 1.107000       2.847000       1.105000     -0.3097000       1.564000
  1 1 1      -1  -33    4 o    2.469000      0.7500000       2.665000 1.122000       2.273000      0.9955000      0.3919000       1.500000
  1 1 1      -1  -33    5 o    2.188000      0.7018000       2.246000 1.023000       2.129000      0.9612000      0.1169000       1.404000
  1 1 1      -1  -33    6 o    1.966000      0.6489000       1.854000 0.8918000       2.077000      0.9428000     -0.2235000       1.298000
  1 1 1      -1  -33    7 o    3.174000       1.231000       3.174000 1.231000                  ?              ?              ?              ?
  1 1 1      -1  -33    8 f    2.218000      0.7090000       2.587000 1.119000       1.849000      0.8711000      0.7382000       1.418000
  1 1 1      -1  -32    1 o    3.019000      0.8063000       3.017000 1.175000       3.021000       1.104000     -0.4171000E-02   1.613000
  1 1 1      -1  -32    2 o    3.865000      0.7592000       5.157000 1.087000       2.572000       1.061000       2.585000       1.518000
  1 1 1      -1  -32    3 o    4.162000      0.7980000       4.333000 1.180000       3.991000       1.075000      0.3416000       1.596000
  1 1 1      -1  -32    4 o    4.397000      0.7286000       3.446000 1.188000       5.347000      0.8438000      -1.900000       1.457000
  1 1 1      -1  -32    5 o    3.387000      0.8073000       3.940000 1.191000       2.835000       1.090000       1.105000       1.615000
  1 1 1      -1  -32    6 o    4.450000      0.7661000       3.674000 1.234000       5.226000      0.9076000      -1.552000       1.532000
  1 1 1      -1  -32    7 o    4.826000      0.9265000       5.824000 0.9642000       3.829000       1.582000       1.995000       1.853000
  1 1 1      -1  -32    8 o    4.953000      0.7193000       5.423000 1.023000       4.482000       1.012000      0.9407000       1.439000
  1 1 1      -1  -32    9 o    1.913000      0.8757000                  ?       ?   1.913000      0.8757000                  ?              ?
  1 1 1      -1  -32   10 o    3.004000      0.7276000       2.351000 1.065000       3.657000      0.9912000      -1.306000       1.455000
  1 1 1      -1  -32   11 o    2.342000      0.7332000       2.400000 1.085000       2.284000      0.9863000      0.1166000       1.466000
  1 1 1      -1  -32   12 o    3.317000      0.8670000       3.764000 1.364000       2.870000       1.070000      0.8937000       1.734000
  1 1 1      -1  -31    1 o    2.671000      0.8048000       2.754000 1.177000       2.587000       1.098000      0.1674000       1.610000
  1 1 1      -1  -31    2 o    3.672000      0.8353000       2.867000 1.189000       4.477000       1.174000      -1.610000       1.671000
  1 1 1      -1  -31    3 o    2.009000      0.6708000       1.815000 0.8892000       2.203000       1.005000     -0.3878000       1.342000
  1 1 1      -1  -31    4 o    2.546000      0.7699000       2.658000 1.134000       2.434000       1.042000      0.2241000       1.540000
  1 1 1      -1  -31    5 o    2.590000      0.7466000       2.618000 1.077000       2.562000       1.035000      0.5534000E-01   1.493000
  1 1 1      -1  -31    6 o    4.702000      0.7164000       3.255000 1.187000       6.149000      0.8022000      -2.894000       1.433000
  1 1 1      -1  -31    7 o    2.558000       1.091000       2.558000 1.091000                  ?              ?              ?              ?
  1 1 1      -1  -31    8 o    2.439000      0.7302000       2.793000 1.126000       2.084000      0.9296000      0.7092000       1.460000
  1 1 1      -1  -31    9 o    2.500000      0.7268000       2.451000 1.051000       2.550000       1.004000     -0.9910000E-01   1.454000
  1 1 1      -1  -31   10 o    2.799000      0.7101000       2.118000 0.9893000       3.481000       1.019000      -1.363000       1.420000
  1 1 1      -1  -31   11 o    2.825000      0.7650000       3.513000 1.210000       2.136000      0.9360000       1.377000       1.530000
  1 1 1      -1  -31   12 o    3.126000      0.7199000       2.558000 1.047000       3.694000      0.9881000      -1.136000       1.440000
  1 1 1      -1  -31   13 o    1.787000      0.6031000       1.870000 0.8935000       1.705000      0.8103000      0.1651000       1.206000
  1 1 1      -1  -31   14 o    2.078000      0.6605000       2.210000 0.9933000       1.945000      0.8710000      0.2645000       1.321000
  1 1 1      -1  -31   15 o    3.996000      0.7415000       4.610000 1.082000       3.382000       1.014000       1.228000       1.483000
  1 1 1      -1  -30    1 o    4.145000      0.7839000       3.874000 1.191000       4.417000       1.019000     -0.5433000       1.568000
  1 1 1      -1  -30    2 o    3.542000      0.8099000       4.210000 1.141000       2.874000       1.150000       1.336000       1.620000
  1 1 1      -1  -30    3 o    3.881000      0.8289000       4.024000 1.171000       3.739000       1.173000      0.2847000       1.658000
  1 1 1      -1  -30    4 o    4.340000      0.7505000       3.662000 1.162000       5.018000      0.9496000      -1.356000       1.501000
  1 1 1      -1  -30    5 o    2.752000      0.7596000       3.145000 1.137000       2.359000       1.008000      0.7856000       1.519000
  1 1 1      -1  -30    6 o    2.855000      0.7681000       2.807000 1.090000       2.902000       1.083000     -0.9484000E-01   1.536000
  1 1 1      -1  -30    7 o    3.489000      0.7770000       3.985000 1.098000       2.993000       1.100000      0.9925000       1.554000
  1 1 1      -1  -30    8 f    6.854000      0.5041000       5.820000 0.8013000       7.888000      0.6118000      -2.069000       1.008000
  1 1 1      -1  -30    9 o    2.454000      0.7200000       2.286000 1.018000       2.622000       1.018000     -0.3360000       1.440000
  1 1 1      -1  -30   10 o    3.134000      0.8003000       3.803000 1.278000       2.466000      0.9636000       1.336000       1.601000
  1 1 1      -1  -30   11 o    3.820000      0.7374000       3.947000 1.147000       3.692000      0.9264000      0.2557000       1.475000
  1 1 1      -1  -30   12 o    2.485000      0.6776000       3.231000 1.085000       1.739000      0.8119000       1.491000       1.355000
  1 1 1      -1  -30   13 o    1.782000      0.5700000       1.418000 0.7080000       2.147000      0.8935000     -0.7286000       1.140000
  1 1 1      -1  -30   14 o    2.127000      0.6651000       2.163000 0.9928000       2.090000      0.8853000      0.7316000E-01   1.330000
  1 1 1      -1  -30   15 f    2.372000      0.6909000       2.726000 1.087000       2.018000      0.8526000      0.7082000       1.382000
  1 1 1      -1  -30   16 o    3.666000      0.7476000       3.657000 1.115000       3.675000      0.9959000     -0.1801000E-01   1.495000
  1 1 1      -1  -30   17 o    2.259000      0.6661000       2.735000 1.047000       1.783000      0.8235000      0.9524000       1.332000
  1 1 1      -1  -29    1 o    2.284000      0.6868000       2.175000 0.9623000       2.392000      0.9801000     -0.2171000       1.374000
  1 1 1      -1  -29    2 f    2.712000      0.7222000       2.349000 0.9984000       3.074000       1.044000     -0.7247000       1.444000
  1 1 1      -1  -29    3 o    2.348000      0.7059000       2.349000 0.9978000       2.348000      0.9988000      0.1000000E-02   1.412000
  1 1 1      -1  -29    4 o    2.916000      0.7484000       3.275000 1.088000       2.556000       1.029000      0.7189000       1.497000
  1 1 1      -1  -29    5 o    3.643000      0.6923000       3.433000 1.028000       3.854000      0.9279000     -0.4209000       1.385000
  1 1 1      -1  -29    6 o    2.373000      0.6822000       2.213000 0.9529000       2.532000      0.9765000     -0.3184000       1.364000
  1 1 1      -1  -29    7 o    2.294000      0.6705000       2.018000 0.9066000       2.571000      0.9882000     -0.5528000       1.341000
  1 1 1      -1  -29    8 o    2.622000      0.9966000       2.622000 0.9966000                  ?              ?              ?              ?
  1 1 1      -1  -29    9 o    2.857000      0.7262000       2.857000 1.067000       2.858000      0.9855000     -0.1350000E-02   1.452000
  1 1 1      -1  -29   10 o    2.901000      0.9132000                  ?       ?   2.901000      0.9132000                  ?              ?
  1 1 1      -1  -29   11 o    2.923000      0.6765000       3.803000 1.044000       2.044000      0.8602000       1.759000       1.353000
  1 1 1      -1  -29   12 o    2.733000      0.6823000       2.672000 1.023000       2.794000      0.9034000     -0.1219000       1.365000
  1 1 1      -1  -29   13 o    4.581000      0.6358000       3.687000 1.099000       5.474000      0.6403000      -1.787000       1.272000
  1 1 1      -1  -29   14 o    3.005000      0.7316000       2.561000 1.066000       3.449000       1.002000     -0.8878000       1.463000
  1 1 1      -1  -29   15 o    6.260000      0.4837000       6.261000 0.7577000       6.260000      0.6015000      0.3004000E-03  0.9675000
  1 1 1      -1  -29   16 o    2.387000      0.6882000       2.518000 1.028000       2.256000      0.9156000      0.2627000       1.376000
  1 1 1      -1  -29   17 o    2.321000      0.6281000       3.093000 1.019000       1.549000      0.7348000       1.545000       1.256000
  1 1 1      -1  -29   18 o    1.883000      0.5954000       1.557000 0.7503000       2.210000      0.9246000     -0.6534000       1.191000
  1 1 1      -1  -29   19 o    2.271000      0.6403000       1.878000 0.8538000       2.664000      0.9545000     -0.7852000       1.281000
  1 1 1      -1  -28    1 f    3.789000       1.037000       3.270000 1.357000       4.308000       1.569000      -1.038000       2.074000
  1 1 1      -1  -28    2 o    4.556000       1.045000       5.252000 1.394000       3.859000       1.558000       1.393000       2.090000
  1 1 1      -1  -28    3 f    5.196000       1.089000       4.863000 1.440000       5.529000       1.635000     -0.6660000       2.179000
  1 1 1      -1  -28    4 o    4.517000       1.192000       5.097000 1.670000       3.938000       1.700000       1.160000       2.383000
  1 1 1      -1  -28    5 o    3.770000       1.017000       2.691000 1.243000       4.849000       1.611000      -2.159000       2.035000
  1 1 1      -1  -28    6 o    3.826000       1.072000       3.690000 1.460000       3.962000       1.571000     -0.2716000       2.145000
  1 1 1      -1  -28    7 o    3.586000      0.9864000       2.472000 1.176000       4.700000       1.584000      -2.228000       1.973000
  1 1 1      -1  -28    8 o    3.409000      0.9816000       2.756000 1.267000       4.062000       1.500000      -1.305000       1.963000
  1 1 1      -1  -28    9 o    3.673000       1.052000       3.862000 1.514000       3.483000       1.460000      0.3791000       2.104000
  1 1 1      -1  -28   10 o    2.777000       1.229000                  ?       ?   2.777000       1.229000                  ?              ?
  1 1 1      -1  -28   11 o    2.614000      0.8249000       2.583000 1.141000       2.646000       1.192000     -0.6307000E-01   1.650000
  1 1 1      -1  -28   12 o    3.683000      0.9758000       3.344000 1.322000       4.022000       1.435000     -0.6779000       1.952000
  1 1 1      -1  -28   13 o    2.909000      0.8791000       2.973000 1.230000       2.846000       1.256000      0.1272000       1.758000
  1 1 1      -1  -28   14 o    3.129000      0.8946000       3.008000 1.236000       3.250000       1.294000     -0.2421000       1.789000
  1 1 1      -1  -28   15 o    3.560000      0.8881000       3.761000 1.255000       3.359000       1.257000      0.4019000       1.776000
  1 1 1      -1  -28   16 o    3.566000      0.8172000       3.792000 1.116000       3.340000       1.194000      0.4515000       1.634000
  1 1 1      -1  -28   17 o    2.552000      0.6788000       3.032000 1.056000       2.072000      0.8538000      0.9597000       1.358000
  1 1 1      -1  -28   18 o    3.618000      0.6842000       3.495000 1.008000       3.740000      0.9258000     -0.2452000       1.368000
  1 1 1      -1  -28   19 o    3.895000      0.6256000       2.806000 1.008000       4.984000      0.7408000      -2.178000       1.251000
  1 1 1      -1  -28   20 o    3.016000      0.6610000       2.632000 0.9639000       3.399000      0.9047000     -0.7670000       1.322000
  1 1 1      -1  -28   21 o    1.971000      0.6121000       2.109000 0.8992000       1.832000      0.8306000      0.2773000       1.224000
  1 1 1      -1  -27    1 o    3.647000      0.7297000       3.600000 1.007000       3.694000       1.056000     -0.9346000E-01   1.459000
  1 1 1      -1  -27    2 o    2.736000      0.6287000       1.584000 0.7584000       3.888000       1.003000      -2.304000       1.257000
  1 1 1      -1  -27    3 o    2.107000      0.6207000       2.360000 0.9075000       1.854000      0.8471000      0.5058000       1.241000
  1 1 1      -1  -27    4 o    1.712000      0.5624000       1.326000 0.6585000       2.098000      0.9118000     -0.7713000       1.125000
  1 1 1      -1  -27    5 o    1.669000      0.5346000       1.776000 0.7872000       1.561000      0.7237000      0.2153000       1.069000
  1 1 1      -1  -27    6 o    2.001000      0.5900000       2.198000 0.8740000       1.803000      0.7926000      0.3958000       1.180000
  1 1 1      -1  -27    7 o    6.572000      0.3383000       6.171000 0.4848000       6.973000      0.4718000     -0.8019000      0.6765000
  1 1 1      -1  -27    8 o    3.153000      0.5914000       3.872000 0.7825000       2.434000      0.8869000       1.439000       1.183000
  1 1 1      -1  -27    9 f    2.857000      0.5977000       2.349000 0.9271000       3.366000      0.7546000      -1.017000       1.195000
  1 1 1      -1  -27   10 o    2.131000      0.5722000       1.847000 0.8288000       2.416000      0.7892000     -0.5683000       1.144000
  1 1 1      -1  -27   11 o    5.147000      0.5140000       4.741000 0.9082000       5.552000      0.4816000     -0.8105000       1.028000
  1 1 1      -1  -27   12 o    2.061000      0.5987000       2.398000 0.9363000       1.725000      0.7463000      0.6730000       1.197000
  1 1 1      -1  -27   13 o    2.800000      0.6131000       2.746000 0.9599000       2.853000      0.7631000     -0.1064000       1.226000
  1 1 1      -1  -27   14 o    3.088000      0.6274000       3.084000 0.9569000       3.092000      0.8117000     -0.7963000E-02   1.255000
  1 1 1      -1  -27   15 o    1.978000      0.5857000       2.250000 0.8948000       1.706000      0.7560000      0.5443000       1.171000
  1 1 1      -1  -27   16 o    2.524000      0.6394000       2.643000 0.9359000       2.406000      0.8713000      0.2373000       1.279000
  1 1 1      -1  -27   17 o    5.278000      0.4351000       4.997000 0.6888000       5.560000      0.5317000     -0.5629000      0.8701000
  1 1 1      -1  -27   18 o    2.785000      0.6582000       2.557000 0.9712000       3.014000      0.8887000     -0.4569000       1.316000
  1 1 1      -1  -27   19 o    2.259000      0.6352000       2.541000 0.9734000       1.978000      0.8163000      0.5633000       1.270000
  1 1 1      -1  -27   20 o    4.516000      0.6934000       4.046000 1.006000       4.985000      0.9548000     -0.9390000       1.387000
  1 1 1      -1  -27   21 o    3.519000      0.7394000       3.473000 0.9570000       3.565000       1.127000     -0.9128000E-01   1.479000
  1 1 1      -1  -27   22 o    4.070000      0.7636000       4.098000 0.9912000       4.043000       1.162000      0.5511000E-01   1.527000
  1 1 1      -1  -27   23 o    3.860000      0.7566000       3.078000 1.078000       4.643000       1.061000      -1.565000       1.513000
  1 1 1      -1  -26    1 o    4.979000      0.7049000       4.739000 0.9677000       5.220000       1.025000     -0.4812000       1.410000
  1 1 1      -1  -26    2 o    5.162000      0.5974000       4.172000 0.9127000       6.151000      0.7711000      -1.980000       1.195000
  1 1 1      -1  -26    3 o    4.089000      0.6814000       3.412000 1.000000       4.765000      0.9256000      -1.353000       1.363000
  1 1 1      -1  -26    4 o    3.214000      0.7213000       3.298000 1.000000       3.130000       1.040000      0.1675000       1.443000
  1 1 1      -1  -26    5 o    3.513000      0.5349000       4.736000 0.6341000       2.290000      0.8616000       2.446000       1.070000
  1 1 1      -1  -26    6 o    4.876000      0.4366000       4.424000 0.6799000       5.327000      0.5478000     -0.9036000      0.8731000
  1 1 1      -1  -26    7 o    7.757000      0.3252000       7.454000 0.4854000       8.060000      0.4329000     -0.6058000      0.6504000
  1 1 1      -1  -26    8 o    6.598000      0.3282000       6.530000 0.4941000       6.666000      0.4320000     -0.1355000      0.6563000
  1 1 1      -1  -26    9 o    2.805000      0.6053000       2.936000 0.9210000       2.673000      0.7856000      0.2632000       1.211000
  1 1 1      -1  -26   10 o    8.262000      0.3021000       7.885000 0.4917000       8.639000      0.3511000     -0.7540000      0.6041000
  1 1 1      -1  -26   11 o    7.234000      0.4952000       6.607000 0.5161000       7.860000      0.8453000      -1.253000      0.9904000
  1 1 1      -1  -26   12 o    2.903000      0.5637000       2.663000 0.9122000       3.142000      0.6626000     -0.4791000       1.127000
  1 1 1      -1  -26   13 o    4.356000      0.4790000       4.758000 0.8201000       3.953000      0.4950000      0.8052000      0.9579000
  1 1 1      -1  -26   14 o    2.376000      0.5905000       1.861000 0.8645000       2.891000      0.8046000      -1.030000       1.181000
  1 1 1      -1  -26   15 o    4.480000      0.5911000       4.923000 0.9355000       4.038000      0.7228000      0.8848000       1.182000
  1 1 1      -1  -26   16 o    2.928000      0.7450000       2.959000 1.161000       2.898000      0.9337000      0.6057000E-01   1.490000
  1 1 1      -1  -26   17 o    3.269000      0.7213000       2.986000 1.086000       3.552000      0.9491000     -0.5656000       1.443000
  1 1 1      -1  -26   18 o    2.344000      0.6790000       2.359000 1.027000       2.330000      0.8882000      0.2840000E-01   1.358000
  1 1 1      -1  -26   19 o    4.773000      0.6525000       4.652000 1.083000       4.894000      0.7278000     -0.2420000       1.305000
  1 1 1      -1  -26   20 o    4.609000      0.4784000       4.175000 0.7803000       5.043000      0.5536000     -0.8673000      0.9568000
  1 1 1      -1  -26   21 o    2.639000      0.6322000       2.362000 0.9095000       2.915000      0.8782000     -0.5525000       1.264000
  1 1 1      -1  -26   22 f    3.626000      0.6116000       3.623000 0.8782000       3.628000      0.8514000     -0.4688000E-02   1.223000
  1 1 1      -1  -26   23 o    3.629000      0.6175000       3.240000 0.9487000       4.017000      0.7907000     -0.7770000       1.235000
  1 1 1      -1  -26   24 o    2.145000      0.5922000       2.757000 0.9365000       1.534000      0.7252000       1.223000       1.184000
  1 1 1      -1  -25    1 o    6.523000      0.5251000       6.721000 0.7001000       6.324000      0.7829000      0.3973000       1.050000
  1 1 1      -1  -25    2 o    2.982000      0.6533000       3.839000 0.9344000       2.126000      0.9133000       1.713000       1.307000
  1 1 1      -1  -25    3 o    4.342000      0.6248000       3.970000 0.9161000       4.714000      0.8497000     -0.7440000       1.250000
  1 1 1      -1  -25    4 o    9.314000      0.3537000       8.812000 0.5165000       9.817000      0.4834000      -1.005000      0.7075000
  1 1 1      -1  -25    5 o    5.928000      0.9671000       6.678000 0.4925000       5.178000       1.871000       1.500000       1.934000
  1 1 1      -1  -25    6 o    5.206000      0.3801000       5.255000 0.5554000       5.158000      0.5191000      0.9696000E-01  0.7602000
  1 1 1      -1  -25    7 o    4.823000      0.4242000       4.325000 0.6691000       5.320000      0.5215000     -0.9955000      0.8483000
  1 1 1      -1  -25    8 o    4.564000      0.4282000       4.941000 0.6134000       4.188000      0.5977000      0.7526000      0.8565000
  1 1 1      -1  -25    9 o    5.681000      0.5679000       5.681000 0.5679000                  ?              ?              ?              ?
  1 1 1      -1  -25   10 o    5.468000      0.3362000       5.391000 0.5397000       5.546000      0.4010000     -0.1554000      0.6723000
  1 1 1      -1  -25   11 o    6.000000      0.3723000                  ?       ?   6.000000      0.3723000                  ?              ?
  1 1 1      -1  -25   12 o    6.331000      0.3109000       6.336000 0.5118000       6.325000      0.3530000      0.1188000E-01  0.6218000
  1 1 1      -1  -25   13 o    2.252000      0.5544000       2.590000 0.8607000       1.915000      0.6990000      0.6753000       1.109000
  1 1 1      -1  -25   14 o    2.095000      0.5403000       2.789000 0.8771000       1.401000      0.6311000       1.388000       1.081000
  1 1 1      -1  -25   15 o    1.710000      0.5270000       1.890000 0.8088000       1.530000      0.6757000      0.3601000       1.054000
  1 1 1      -1  -25   16 o    2.361000      0.5852000       2.302000 0.8738000       2.420000      0.7786000     -0.1188000       1.170000
  1 1 1      -1  -25   17 o    3.681000      0.4811000       3.919000 0.6938000       3.443000      0.6667000      0.4761000      0.9622000
  1 1 1      -1  -25   18 o    2.004000      0.5594000       2.280000 0.8383000       1.727000      0.7410000      0.5526000       1.119000
  1 1 1      -1  -25   19 o    3.131000      0.5495000       3.295000 0.7696000       2.967000      0.7846000      0.3279000       1.099000
  1 1 1      -1  -25   20 o    1.926000      0.5644000       1.644000 0.7533000       2.209000      0.8407000     -0.5653000       1.129000
  1 1 1      -1  -25   21 o    1.756000      0.5629000       1.755000 0.8598000       1.756000      0.7268000     -0.1440000E-02   1.126000
  1 1 1      -1  -25   22 o    3.704000      0.8103000       3.878000 1.254000       3.531000       1.027000      0.3468000       1.621000
  1 1 1      -1  -25   23 o    3.325000      0.7833000       4.123000 1.198000       2.527000       1.009000       1.597000       1.567000
  1 1 1      -1  -25   24 o    2.557000      0.6648000       1.796000 0.8772000       3.319000      0.9993000      -1.523000       1.330000
  1 1 1      -1  -25   25 o    3.634000      0.5940000       4.498000 0.7402000       2.770000      0.9292000       1.728000       1.188000
  1 1 1      -1  -24    1 o    2.235000      0.6769000       2.043000 0.8958000       2.427000       1.015000     -0.3836000       1.354000
  1 1 1      -1  -24    2 o    5.272000      0.4274000       5.832000 0.5000000       4.711000      0.6932000       1.121000      0.8547000
  1 1 1      -1  -24    3 o    5.603000      0.4141000       5.517000 0.5449000       5.688000      0.6236000     -0.1713000      0.8282000
  1 1 1      -1  -24    4 o    2.931000      0.6095000       2.386000 0.8766000       3.475000      0.8470000      -1.089000       1.219000
  1 1 1      -1  -24    5 o    3.369000      0.5103000       3.553000 0.7108000       3.184000      0.7324000      0.3687000       1.021000
  1 1 1      -1  -24    6 o    2.374000      0.5580000       2.230000 0.8047000       2.517000      0.7732000     -0.2875000       1.116000
  1 1 1      -1  -24    7 o    4.624000      0.3536000       4.350000 0.5474000       4.898000      0.4479000     -0.5478000      0.7072000
  1 1 1      -1  -24    8 o    3.094000      0.4811000       3.624000 0.6752000       2.563000      0.6855000       1.061000      0.9621000
  1 1 1      -1  -24    9 o    7.690000      0.4302000       8.003000 0.4102000       7.376000      0.7564000      0.6271000      0.8604000
  1 1 1      -1  -24   10 o    3.333000      0.4922000       2.806000 0.8580000       3.859000      0.4827000      -1.053000      0.9844000
  1 1 1      -1  -24   11 o    4.304000      0.4464000                  ?       ?   4.304000      0.4464000                  ?              ?
  1 1 1      -1  -24   12 o    7.507000      0.2462000       7.932000 0.3784000       7.083000      0.3150000      0.8488000      0.4924000
  1 1 1      -1  -24   13 o    4.799000      0.3328000       4.406000 0.5570000       5.192000      0.3642000     -0.7863000      0.6655000
  1 1 1      -1  -24   14 o    1.740000      0.5052000       2.072000 0.8030000       1.408000      0.6132000      0.6639000       1.010000
  1 1 1      -1  -24   15 o    1.686000      0.5005000       1.770000 0.7489000       1.602000      0.6641000      0.1682000       1.001000
  1 1 1      -1  -24   16 o    6.074000      0.2837000       6.047000 0.4398000       6.101000      0.3585000     -0.5398000E-01  0.5674000
  1 1 1      -1  -24   17 o    3.003000      0.4908000       3.372000 0.7022000       2.633000      0.6857000      0.7383000      0.9815000
  1 1 1      -1  -24   18 o    5.089000      0.3253000       4.826000 0.5098000       5.352000      0.4041000     -0.5252000      0.6505000
  1 1 1      -1  -24   19 o    4.720000      0.3587000       4.472000 0.5599000       4.969000      0.4484000     -0.4973000      0.7173000
  1 1 1      -1  -24   20 f    8.975000      0.2767000       9.518000 0.4367000       8.431000      0.3399000       1.087000      0.5534000
  1 1 1      -1  -24   21 o    6.682000      0.2869000       6.643000 0.4153000       6.721000      0.3959000     -0.7828000E-01  0.5738000
  1 1 1      -1  -24   22 o    2.029000      0.5591000       1.733000 0.7410000       2.326000      0.8374000     -0.5925000       1.118000
  1 1 1      -1  -24   23 o    3.669000      0.5338000       4.692000 0.6038000       2.645000      0.8803000       2.046000       1.068000
  1 1 1      -1  -24   24 o    6.580000      0.5855000       5.598000 1.078000       7.562000      0.4574000      -1.964000       1.171000
  1 1 1      -1  -24   25 o    1.929000      0.5654000       1.479000 0.6993000       2.380000      0.8885000     -0.9007000       1.131000
  1 1 1      -1  -24   26 o    3.968000      0.7980000       3.917000 1.238000       4.019000       1.007000     -0.1027000       1.596000
  1 1 1      -1  -24   27 o    2.767000      0.7957000       2.820000 1.179000       2.713000       1.069000      0.1073000       1.591000
  1 1 1      -1  -23    1 o    7.455000      0.3876000       8.001000 0.4920000       6.910000      0.5991000       1.090000      0.7753000
  1 1 1      -1  -23    2 o    7.499000      0.3496000       8.214000 0.4353000       6.783000      0.5472000       1.431000      0.6993000
  1 1 1      -1  -23    3 o    1.811000      0.5566000       1.736000 0.7545000       1.885000      0.8186000     -0.1485000       1.113000
  1 1 1      -1  -23    4 o    3.085000      0.5845000       3.198000 0.8018000       2.971000      0.8506000      0.2264000       1.169000
  1 1 1      -1  -23    5 o    7.519000      0.2792000       7.433000 0.4131000       7.605000      0.3758000     -0.1717000      0.5584000
  1 1 1      -1  -23    6 o    4.757000      0.3561000       5.081000 0.5130000       4.433000      0.4940000      0.6477000      0.7122000
  1 1 1      -1  -23    7 o    3.032000      0.4834000       2.330000 0.8054000       3.734000      0.5348000      -1.404000      0.9668000
  1 1 1      -1  -23    8 o    4.812000      0.3456000       5.462000 0.5019000       4.162000      0.4751000       1.299000      0.6911000
  1 1 1      -1  -23    9 o    2.802000      0.5114000       3.586000 0.7451000       2.018000      0.7006000       1.568000       1.023000
  1 1 1      -1  -23   10 o    2.897000      0.4624000       3.958000 0.6245000       1.836000      0.6820000       2.122000      0.9247000
  1 1 1      -1  -23   11 o    3.043000      0.4505000       2.111000 0.7998000       3.976000      0.4148000      -1.866000      0.9010000
  1 1 1      -1  -23   12 o    10.56000      0.2220000       10.36000 0.3342000       10.76000      0.2923000     -0.3918000      0.4440000
  1 1 1      -1  -23   13 o    7.923000      0.2278000       8.209000 0.3456000       7.637000      0.2970000      0.5723000      0.4557000
  1 1 1      -1  -23   14 o    2.239000      0.4927000       2.912000 0.7299000       1.567000      0.6621000       1.345000      0.9854000
  1 1 1      -1  -23   15 o    4.337000      0.3546000       4.310000 0.5426000       4.364000      0.4566000     -0.5438000E-01  0.7092000
  1 1 1      -1  -23   16 o    6.371000      0.2520000       6.035000 0.3869000       6.706000      0.3229000     -0.6710000      0.5040000
  1 1 1      -1  -23   17 o    3.211000      0.4411000       3.515000 0.6212000       2.907000      0.6265000      0.6081000      0.8822000
  1 1 1      -1  -23   18 o    6.501000      0.2555000       6.644000 0.3860000       6.358000      0.3349000      0.2866000      0.5111000
  1 1 1      -1  -23   19 o    3.316000      0.4622000       2.884000 0.7521000       3.747000      0.5374000     -0.8636000      0.9244000
  1 1 1      -1  -23   20 o    4.604000      0.3428000       4.622000 0.4928000       4.586000      0.4765000      0.3545000E-01  0.6855000
  1 1 1      -1  -23   21 o    4.204000      0.3910000       4.272000 0.5421000       4.136000      0.5636000      0.1359000      0.7820000
  1 1 1      -1  -23   22 o    4.613000      0.3817000       4.883000 0.5075000       4.344000      0.5703000      0.5386000      0.7633000
  1 1 1      -1  -23   23 f    2.676000      0.6003000       2.645000 0.8564000       2.707000      0.8415000     -0.6198000E-01   1.201000
  1 1 1      -1  -23   24 o    5.339000      0.3892000       5.717000 0.5177000       4.961000      0.5813000      0.7569000      0.7784000
  1 1 1      -1  -23   25 o    2.979000      0.5944000       2.197000 0.8814000       3.761000      0.7976000      -1.564000       1.189000
  1 1 1      -1  -23   26 o    5.156000      0.4162000       5.348000 0.5510000       4.963000      0.6239000      0.3846000      0.8324000
  1 1 1      -1  -23   27 o    5.982000      0.4181000       6.682000 0.5976000       5.282000      0.5848000       1.399000      0.8361000
  1 1 1      -1  -23   28 o    2.441000      0.6356000       2.137000 0.8727000       2.744000      0.9244000     -0.6069000       1.271000
  1 1 1      -1  -22    1 o    4.469000      0.5860000       4.084000 0.8071000       4.854000      0.8499000     -0.7699000       1.172000
  1 1 1      -1  -22    2 o    3.431000      0.5483000       4.127000 0.6426000       2.734000      0.8886000       1.393000       1.097000
  1 1 1      -1  -22    3 o    3.663000      0.5055000       3.006000 0.7830000       4.320000      0.6396000      -1.314000       1.011000
  1 1 1      -1  -22    4 o    5.739000      0.3354000       5.572000 0.4802000       5.907000      0.4684000     -0.3349000      0.6709000
  1 1 1      -1  -22    5 o    3.570000      0.4256000       4.314000 0.5455000       2.826000      0.6535000       1.489000      0.8512000
  1 1 1      -1  -22    6 o    7.501000      0.2469000       7.087000 0.3733000       7.915000      0.3234000     -0.8277000      0.4939000
  1 1 1      -1  -22    7 o    9.613000      0.2360000       9.202000 0.3519000       10.02000      0.3147000     -0.8220000      0.4721000
  1 1 1      -1  -22    8 o    4.358000      0.3547000       4.242000 0.5936000       4.474000      0.3886000     -0.2320000      0.7094000
  1 1 1      -1  -22    9 o    4.236000      0.4144000       3.324000 0.7447000       5.147000      0.3638000      -1.824000      0.8288000
  1 1 1      -1  -22   10 o    3.698000      0.3618000       4.072000 0.5500000       3.323000      0.4703000      0.7484000      0.7237000
  1 1 1      -1  -22   11 o    4.865000      0.2831000       4.624000 0.4651000       5.106000      0.3228000     -0.4825000      0.5662000
  1 1 1      -1  -22   12 o    4.817000      0.2995000       4.474000 0.4970000       5.160000      0.3343000     -0.6859000      0.5990000
  1 1 1      -1  -22   13 o    8.833000      0.2174000       9.077000 0.3302000       8.589000      0.2830000      0.4879000      0.4348000
  1 1 1      -1  -22   14 o    5.195000      0.2654000       5.097000 0.4064000       5.293000      0.3415000     -0.1961000      0.5308000
  1 1 1      -1  -22   15 o    1.315000      0.4077000       1.218000 0.5605000       1.412000      0.5924000     -0.1937000      0.8155000
  1 1 1      -1  -22   16 o    4.492000      0.2864000       4.601000 0.4044000       4.384000      0.4056000      0.2169000      0.5727000
  1 1 1      -1  -22   17 o    5.165000      0.2860000       5.098000 0.4323000       5.231000      0.3746000     -0.1332000      0.5720000
  1 1 1      -1  -22   18 o    3.530000      0.3904000       3.729000 0.5369000       3.331000      0.5669000      0.3982000      0.7808000
  1 1 1      -1  -22   19 f    5.062000      0.2828000       5.028000 0.4063000       5.096000      0.3934000     -0.6817000E-01  0.5656000
  1 1 1      -1  -22   20 o    8.580000      0.2299000       8.568000 0.3294000       8.592000      0.3209000     -0.2468000E-01  0.4599000
  1 1 1      -1  -22   21 o    2.086000      0.5230000       2.335000 0.7371000       1.837000      0.7421000      0.4981000       1.046000
  1 1 1      -1  -22   22 o    4.725000      0.3637000       5.199000 0.4430000       4.252000      0.5770000      0.9474000      0.7274000
  1 1 1      -1  -22   23 o    6.177000      0.3067000       5.948000 0.4511000       6.407000      0.4157000     -0.4593000      0.6134000
  1 1 1      -1  -22   24 o    4.107000      0.4598000       4.537000 0.5897000       3.677000      0.7058000      0.8597000      0.9197000
  1 1 1      -1  -22   25 o    1.777000      0.5368000       1.967000 0.7967000       1.587000      0.7198000      0.3798000       1.074000
  1 1 1      -1  -22   26 o    2.244000      0.5980000       2.610000 0.8877000       1.877000      0.8015000      0.7328000       1.196000
  1 1 1      -1  -22   27 o    5.190000      0.4182000       4.679000 0.6339000       5.701000      0.5458000      -1.023000      0.8365000
  1 1 1      -1  -22   28 o    2.966000      0.6094000       3.514000 0.8324000       2.419000      0.8903000       1.095000       1.219000
  1 1 1      -1  -22   29 o    1.811000      0.5708000       1.650000 0.7600000       1.973000      0.8520000     -0.3226000       1.142000
  1 1 1      -1  -21    1 o    4.443000      0.5719000       4.930000 0.6164000       3.956000      0.9635000      0.9740000       1.144000
  1 1 1      -1  -21    2 o    2.954000      0.5192000       3.747000 0.6006000       2.161000      0.8471000       1.586000       1.038000
  1 1 1      -1  -21    3 o    5.387000      0.3322000       5.543000 0.4315000       5.231000      0.5052000      0.3120000      0.6644000
  1 1 1      -1  -21    4 o    3.280000      0.4383000       3.731000 0.5247000       2.829000      0.7023000      0.9024000      0.8767000
  1 1 1      -1  -21    5 o    7.256000      0.2438000       7.225000 0.3557000       7.287000      0.3336000     -0.6170000E-01  0.4877000
  1 1 1      -1  -21    6 o    8.284000      0.2290000       7.861000 0.3419000       8.707000      0.3047000     -0.8462000      0.4579000
  1 1 1      -1  -21    7 o    4.599000      0.2995000       4.888000 0.4245000       4.310000      0.4226000      0.5780000      0.5990000
  1 1 1      -1  -21    8 o    6.234000      0.2363000       6.253000 0.3594000       6.216000      0.3070000      0.3629000E-01  0.4727000
  1 1 1      -1  -21    9 o    9.043000      0.2148000       8.958000 0.3299000       9.128000      0.2753000     -0.1702000      0.4297000
  1 1 1      -1  -21   10 o    6.237000      0.3508000       6.237000 0.3508000                  ?              ?              ?              ?
  1 1 1      -1  -21   11 o    6.748000      0.2269000       6.520000 0.3613000       6.977000      0.2746000     -0.4563000      0.4538000
  1 1 1      -1  -21   12 o    1.908000      0.6334000                  ?       ?   1.908000      0.6334000                  ?              ?
  1 1 1      -1  -21   13 f    6.853000      0.2098000       6.651000 0.3214000       7.056000      0.2697000     -0.4047000      0.4196000
  1 1 1      -1  -21   14 o    4.261000      0.2795000       4.101000 0.4287000       4.420000      0.3588000     -0.3192000      0.5590000
  1 1 1      -1  -21   15 o    5.798000      0.2519000       5.726000 0.4079000       5.870000      0.2956000     -0.1448000      0.5037000
  1 1 1      -1  -21   16 o    6.770000      0.2126000       6.950000 0.3151000       6.591000      0.2856000      0.3586000      0.4252000
  1 1 1      -1  -21   17 o    8.870000      0.2064000       8.762000 0.3036000       8.978000      0.2796000     -0.2161000      0.4127000
  1 1 1      -1  -21   18 o    3.908000      0.3306000       4.388000 0.4205000       3.427000      0.5103000      0.9606000      0.6613000
  1 1 1      -1  -21   19 o    6.906000      0.2278000       7.137000 0.3154000       6.675000      0.3288000      0.4625000      0.4557000
  1 1 1      -1  -21   20 o    3.417000      0.3928000       3.319000 0.5540000       3.514000      0.5571000     -0.1947000      0.7857000
  1 1 1      -1  -21   21 o    2.630000      0.4957000       2.394000 0.7072000       2.867000      0.6948000     -0.4732000      0.9914000
  1 1 1      -1  -21   22 o    2.832000      0.4794000       3.236000 0.5865000       2.429000      0.7586000      0.8067000      0.9589000
  1 1 1      -1  -21   23 o    4.283000      0.3628000       3.927000 0.5085000       4.639000      0.5176000     -0.7120000      0.7256000
  1 1 1      -1  -21   24 o    2.283000      0.4833000       3.171000 0.7104000       1.395000      0.6556000       1.775000      0.9667000
  1 1 1      -1  -21   25 o    2.443000      0.5743000       2.670000 0.8036000       2.217000      0.8206000      0.4528000       1.149000
  1 1 1      -1  -21   26 o    2.423000      0.6045000       2.167000 0.8299000       2.679000      0.8791000     -0.5124000       1.209000
  1 1 1      -1  -21   27 o    2.539000      0.6156000       2.847000 0.8680000       2.231000      0.8732000      0.6162000       1.231000
  1 1 1      -1  -21   28 o    2.826000      0.6128000       3.414000 0.8483000       2.237000      0.8846000       1.177000       1.226000
  1 1 1      -1  -21   29 o    1.706000      0.5369000       1.924000 0.8067000       1.487000      0.7086000      0.4371000       1.074000
  1 1 1      -1  -21   30 f    2.512000      0.6824000       2.197000 0.9955000       2.826000      0.9334000     -0.6283000       1.365000
  1 1 1      -1  -20    1 o    2.276000      0.6501000       1.805000 0.7852000       2.746000       1.036000     -0.9408000       1.300000
  1 1 1      -1  -20    2 o    7.326000      0.2939000       7.538000 0.3873000       7.113000      0.4422000      0.4245000      0.5878000
  1 1 1      -1  -20    3 o    5.593000      0.2984000       5.124000 0.3988000       6.062000      0.4441000     -0.9376000      0.5968000
  1 1 1      -1  -20    4 o    2.561000      0.4765000       2.071000 0.7099000       3.050000      0.6359000     -0.9789000      0.9530000
  1 1 1      -1  -20    5 f    2.913000      0.4228000       2.730000 0.6440000       3.095000      0.5480000     -0.3653000      0.8456000
  1 1 1      -1  -20    6 o    6.298000      0.2249000       6.270000 0.3333000       6.326000      0.3020000     -0.5611000E-01  0.4498000
  1 1 1      -1  -20    7 o    3.788000      0.3416000       3.694000 0.5484000       3.881000      0.4074000     -0.1862000      0.6832000
  1 1 1      -1  -20    8 o    3.790000      0.3015000       3.712000 0.4879000       3.868000      0.3543000     -0.1567000      0.6030000
  1 1 1      -1  -20    9 o    8.125000      0.1983000       8.084000 0.3016000       8.165000      0.2575000     -0.8133000E-01  0.3966000
  1 1 1      -1  -20   10 o    6.556000      0.3186000       6.556000 0.3186000                  ?              ?              ?              ?
  1 1 1      -1  -20   11 o    5.723000      0.2303000       5.509000 0.3653000       5.938000      0.2807000     -0.4286000      0.4606000
  1 1 1      -1  -20   12 o    4.830000      0.3080000                  ?       ?   4.830000      0.3080000                  ?              ?
  1 1 1      -1  -20   13 o    3.371000      0.3213000       2.992000 0.5263000       3.749000      0.3687000     -0.7571000      0.6426000
  1 1 1      -1  -20   14 o    8.562000      0.1988000       8.465000 0.2980000       8.660000      0.2634000     -0.1945000      0.3977000
  1 1 1      -1  -20   15 o    4.879000      0.2364000       4.873000 0.3505000       4.884000      0.3173000     -0.1078000E-01  0.4728000
  1 1 1      -1  -20   16 o    5.858000      0.2238000       5.921000 0.3160000       5.794000      0.3171000      0.1271000      0.4476000
  1 1 1      -1  -20   17 o    3.548000      0.3154000       3.848000 0.4040000       3.249000      0.4844000      0.5988000      0.6307000
  1 1 1      -1  -20   18 o    5.604000      0.2352000       5.888000 0.3237000       5.320000      0.3414000      0.5680000      0.4705000
  1 1 1      -1  -20   19 o    6.677000      0.2241000       6.888000 0.3104000       6.466000      0.3233000      0.4230000      0.4482000
  1 1 1      -1  -20   20 o    4.332000      0.2971000       4.470000 0.3948000       4.194000      0.4441000      0.2764000      0.5942000
  1 1 1      -1  -20   21 o    2.487000      0.4728000       2.897000 0.5959000       2.077000      0.7343000      0.8194000      0.9457000
  1 1 1      -1  -20   22 o    4.883000      0.2971000       4.679000 0.4040000       5.087000      0.4356000     -0.4087000      0.5941000
  1 1 1      -1  -20   23 o    4.044000      0.3539000       3.951000 0.4668000       4.137000      0.5320000     -0.1855000      0.7078000
  1 1 1      -1  -20   24 o    2.826000      0.5016000       3.162000 0.6182000       2.490000      0.7902000      0.6720000       1.003000
  1 1 1      -1  -20   25 o    1.955000      0.5378000       2.159000 0.7650000       1.750000      0.7560000      0.4086000       1.076000
  1 1 1      -1  -20   26 o    4.400000      0.4232000       4.609000 0.5432000       4.190000      0.6492000      0.4185000      0.8465000
  1 1 1      -1  -20   27 o    1.975000      0.5723000       1.904000 0.7979000       2.045000      0.8208000     -0.1415000       1.145000
  1 1 1      -1  -20   28 o    2.134000      0.5800000       2.514000 0.8562000       1.754000      0.7826000      0.7604000       1.160000
  1 1 1      -1  -20   29 o    2.677000      0.6230000       3.061000 0.8831000       2.292000      0.8790000      0.7692000       1.246000
  1 1 1      -1  -20   30 o    2.122000      0.6010000       2.019000 0.8260000       2.225000      0.8734000     -0.2065000       1.202000
  1 1 1      -1  -19    1 o    4.709000      0.9543000       3.089000 1.336000       6.330000       1.363000      -3.241000       1.909000
  1 1 1      -1  -19    2 o    4.964000      0.8002000       3.012000 1.195000       6.915000       1.064000      -3.904000       1.600000
  1 1 1      -1  -19    3 o    5.822000      0.7593000       4.377000 1.127000       7.266000       1.017000      -2.890000       1.519000
  1 1 1      -1  -19    4 o    4.578000       1.290000                  ?       ?   4.578000       1.290000                  ?              ?
  1 1 1      -1  -19    5 o    3.548000      0.8014000       3.296000 1.274000       3.800000      0.9731000     -0.5042000       1.603000
  1 1 1      -1  -19    6 o    3.834000      0.8126000       3.667000 1.367000       4.002000      0.8794000     -0.3359000       1.625000
  1 1 1      -1  -19    7 o    5.564000      0.5605000       5.845000 0.9375000       5.283000      0.6146000      0.5622000       1.121000
  1 1 1      -1  -19    8 o    4.583000      0.4238000       4.850000 0.6339000       4.316000      0.5627000      0.5341000      0.8476000
  1 1 1      -1  -19    9 o    9.387000      0.2824000       9.347000 0.4219000       9.428000      0.3755000     -0.8026000E-01  0.5648000
  1 1 1      -1  -19   10 o    8.699000      0.2825000       8.781000 0.4214000       8.617000      0.3765000      0.1640000      0.5651000
  1 1 1      -1  -19   11 o    1.399000      0.4420000       1.482000 0.6477000       1.315000      0.6015000      0.1676000      0.8840000
  1 1 1      -1  -19   12 o    3.799000      0.3335000       4.112000 0.4335000       3.486000      0.5069000      0.6260000      0.6670000
  1 1 1      -1  -19   13 o    10.57000      0.2530000       10.60000 0.3599000       10.54000      0.3557000      0.5189000E-01  0.5060000
  1 1 1      -1  -19   14 o    11.03000      0.2640000       10.80000 0.3696000       11.26000      0.3771000     -0.4667000      0.5281000
  1 1 1      -1  -19   15 o    4.121000      0.2707000       3.955000 0.4221000       4.287000      0.3392000     -0.3317000      0.5415000
  1 1 1      -1  -19   16 o    4.546000      0.2455000       4.494000 0.3457000       4.599000      0.3486000     -0.1052000      0.4909000
  1 1 1      -1  -19   17 o    4.803000      0.2438000       4.769000 0.3424000       4.837000      0.3473000     -0.6822000E-01  0.4877000
  1 1 1      -1  -19   18 o    1.599000      0.4428000       1.509000 0.6110000       1.689000      0.6410000     -0.1798000      0.8856000
  1 1 1      -1  -19   19 o    6.061000      0.2332000       5.860000 0.3199000       6.262000      0.3393000     -0.4018000      0.4663000
  1 1 1      -1  -19   20 o    8.320000      0.2115000       8.282000 0.3012000       8.358000      0.2971000     -0.7653000E-01  0.4231000
  1 1 1      -1  -19   21 o    8.710000      0.2204000       8.671000 0.3085000       8.749000      0.3149000     -0.7789000E-01  0.4409000
  1 1 1      -1  -19   22 o    7.235000      0.2355000       7.226000 0.3274000       7.245000      0.3385000     -0.1861000E-01  0.4709000
  1 1 1      -1  -19   23 o    9.483000      0.2320000       9.529000 0.3302000       9.438000      0.3259000      0.9114000E-01  0.4639000
  1 1 1      -1  -19   24 f    9.997000      0.2406000       10.13000 0.3351000       9.861000      0.3455000      0.2725000      0.4813000
  1 1 1      -1  -19   25 o    3.652000      0.4609000       3.449000 0.6620000       3.854000      0.6415000     -0.4053000      0.9218000
  1 1 1      -1  -19   26 o    6.669000      0.2984000       6.353000 0.4220000       6.986000      0.4221000     -0.6325000      0.5969000
  1 1 1      -1  -19   27 o    3.694000      0.4817000       3.239000 0.6849000       4.150000      0.6775000     -0.9113000      0.9634000
  1 1 1      -1  -19   28 o    2.632000      0.6025000       2.672000 0.8087000       2.593000      0.8935000      0.7871000E-01   1.205000
  1 1 1      -1  -19   29 o    2.430000      0.5814000       3.001000 0.8397000       1.859000      0.8045000       1.142000       1.163000
  1 1 1      -1  -19   30 o    2.560000      0.5978000       2.045000 0.8154000       3.075000      0.8745000      -1.030000       1.196000
  1 1 1      -1  -19   31 o    2.480000      0.6193000       2.510000 0.8458000       2.451000      0.9048000      0.5903000E-01   1.239000
  1 1 1      -1  -18    1 o    5.323000      0.4619000       5.930000 0.5004000       4.716000      0.7766000       1.214000      0.9239000
  1 1 1      -1  -18    2 o    3.967000      0.4062000       4.178000 0.4735000       3.757000      0.6601000      0.4213000      0.8124000
  1 1 1      -1  -18    3 o    3.590000      0.4441000       3.829000 0.5111000       3.352000      0.7265000      0.4773000      0.8883000
  1 1 1      -1  -18    4 o    2.316000      0.4598000       2.348000 0.6356000       2.283000      0.6646000      0.6466000E-01  0.9196000
  1 1 1      -1  -18    5 o    1.569000      0.4066000       1.857000 0.6030000       1.280000      0.5457000      0.5771000      0.8133000
  1 1 1      -1  -18    6 o    7.716000      0.2281000       7.375000 0.3237000       8.058000      0.3215000     -0.6831000      0.4562000
  1 1 1      -1  -18    7 o    8.904000      0.2336000       8.735000 0.3386000       9.073000      0.3220000     -0.3381000      0.4672000
  1 1 1      -1  -18    8 f    6.348000      0.1770000       6.299000 0.2710000       6.396000      0.2279000     -0.9689000E-01  0.3540000
  1 1 1      -1  -18    9 o    5.984000      0.1904000       6.112000 0.2868000       5.857000      0.2503000      0.2550000      0.3807000
  1 1 1      -1  -18   10 o    4.284000      0.2265000       4.219000 0.3492000       4.349000      0.2885000     -0.1306000      0.4530000
  1 1 1      -1  -18   11 o    7.692000      0.1704000       7.564000 0.2495000       7.821000      0.2321000     -0.2576000      0.3408000
  1 1 1      -1  -18   12 o    11.25000      0.1903000       11.13000 0.2764000       11.36000      0.2617000     -0.2387000      0.3807000
  1 1 1      -1  -18   13 o    3.914000      0.2517000       3.993000 0.3743000       3.834000      0.3367000      0.1586000      0.5035000
  1 1 1      -1  -18   14 o    7.639000      0.1830000       7.355000 0.2668000       7.924000      0.2506000     -0.5689000      0.3661000
  1 1 1      -1  -18   15 o    7.512000      0.1927000       7.327000 0.2795000       7.697000      0.2654000     -0.3702000      0.3854000
  1 1 1      -1  -18   16 f    5.519000      0.2531000       5.385000 0.3282000       5.653000      0.3853000     -0.2672000      0.5061000
  1 1 1      -1  -18   17 o    2.174000      0.4929000       1.795000 0.6467000       2.553000      0.7441000     -0.7583000      0.9858000
  1 1 1      -1  -18   18 o    2.484000      0.4978000       2.281000 0.6332000       2.687000      0.7683000     -0.4057000      0.9956000
  1 1 1      -1  -18   19 o    3.902000      0.4026000       3.960000 0.4636000       3.843000      0.6583000      0.1170000      0.8051000
  1 1 1      -1  -18   20 o    2.818000      0.4173000       2.875000 0.5443000       2.761000      0.6328000      0.1147000      0.8347000
  1 1 1      -1  -18   21 o    2.324000      0.4699000       1.837000 0.6794000       2.811000      0.6494000     -0.9747000      0.9398000
  1 1 1      -1  -18   22 o    2.018000      0.4360000       1.169000 0.5514000       2.866000      0.6755000      -1.697000      0.8720000
  1 1 1      -1  -18   23 o    9.575000      0.2336000       9.852000 0.3238000       9.298000      0.3368000      0.5536000      0.4672000
  1 1 1      -1  -18   24 o    6.927000      0.2613000       6.722000 0.3565000       7.132000      0.3822000     -0.4103000      0.5226000
  1 1 1      -1  -18   25 o    5.847000      0.2986000       5.856000 0.4044000       5.838000      0.4396000      0.1803000E-01  0.5973000
  1 1 1      -1  -18   26 o    2.022000      0.5557000       1.978000 0.7563000       2.065000      0.8144000     -0.8662000E-01   1.111000
  1 1 1      -1  -18   27 o    3.520000      0.5349000       3.595000 0.6900000       3.445000      0.8175000      0.1497000       1.070000
  1 1 1      -1  -18   28 o    4.170000      0.4574000       3.586000 0.6778000       4.754000      0.6143000      -1.169000      0.9148000
  1 1 1      -1  -18   29 o    1.982000      0.5567000       1.584000 0.6996000       2.380000      0.8662000     -0.7960000       1.113000
  1 1 1      -1  -18   30 o    2.434000      0.6138000       2.434000 0.8460000       2.434000      0.8895000      0.9108000E-04   1.228000
  1 1 1      -1  -18   31 o    4.325000      0.4784000       4.500000 0.6241000       4.150000      0.7251000      0.3504000      0.9567000
  1 1 1      -1  -18   32 f    2.848000      0.6312000       2.538000 0.8805000       3.159000      0.9046000     -0.6215000       1.262000
  1 1 1      -1  -17    1 o    5.343000      0.4372000       5.992000 0.4660000       4.693000      0.7398000       1.299000      0.8743000
  1 1 1      -1  -17    2 o    4.841000      0.3046000       4.950000 0.3723000       4.732000      0.4821000      0.2174000      0.6091000
  1 1 1      -1  -17    3 o    8.614000      0.2355000       8.682000 0.3330000       8.546000      0.3332000      0.1357000      0.4711000
  1 1 1      -1  -17    4 o    4.832000      0.2405000       4.855000 0.3473000       4.810000      0.3327000      0.4461000E-01  0.4809000
  1 1 1      -1  -17    5 o    5.819000      0.2055000       5.724000 0.3066000       5.914000      0.2736000     -0.1900000      0.4109000
  1 1 1      -1  -17    6 o    1.796000      0.4115000       1.776000 0.6169000       1.816000      0.5448000     -0.3951000E-01  0.8231000
  1 1 1      -1  -17    7 o    13.63000      0.2122000       13.46000 0.3059000       13.80000      0.2941000     -0.3415000      0.4244000
  1 1 1      -1  -17    8 o    8.132000      0.1703000       8.153000 0.2551000       8.111000      0.2256000      0.4223000E-01  0.3406000
  1 1 1      -1  -17    9 o    7.244000      0.1722000       6.971000 0.2532000       7.516000      0.2334000     -0.5450000      0.3444000
  1 1 1      -1  -17   10 o    8.524000      0.2509000       8.302000 0.3761000       8.745000      0.3322000     -0.4429000      0.5018000
  1 1 1      -1  -17   11 o    7.186000      0.4018000       7.186000 0.4018000                  ?              ?              ?              ?
  1 1 1      -1  -17   12 o    8.954000      0.2758000       9.307000 0.4230000       8.602000      0.3541000      0.7045000      0.5516000
  1 1 1      -1  -17   13 o    1.721000      0.6889000                  ?       ?   1.721000      0.6889000                  ?              ?
  1 1 1      -1  -17   14 o    6.982000      0.3174000       6.884000 0.5013000       7.080000      0.3894000     -0.1962000      0.6347000
  1 1 1      -1  -17   15 o    3.855000      0.5255000       3.234000 0.9009000       4.475000      0.5414000      -1.241000       1.051000
  1 1 1      -1  -17   16 f    1.523000      0.4234000       1.435000 0.5805000       1.611000      0.6165000     -0.1761000      0.8468000
  1 1 1      -1  -17   17 o    3.288000      0.3394000       3.179000 0.4891000       3.397000      0.4707000     -0.2176000      0.6788000
  1 1 1      -1  -17   18 o    5.824000      0.2190000       5.881000 0.3040000       5.767000      0.3153000      0.1149000      0.4380000
  1 1 1      -1  -17   19 o    4.204000      0.2896000       4.198000 0.4011000       4.210000      0.4178000     -0.1160000E-01  0.5791000
  1 1 1      -1  -17   20 o    6.872000      0.2889000       6.460000 0.3617000       7.284000      0.4506000     -0.8242000      0.5778000
  1 1 1      -1  -17   21 o    5.411000      0.3342000       5.111000 0.4436000       5.711000      0.4998000     -0.6003000      0.6683000
  1 1 1      -1  -17   22 o    13.65000      0.3179000       13.59000 0.4313000       13.71000      0.4670000     -0.1233000      0.6357000
  1 1 1      -1  -17   23 o    5.151000      0.2950000       5.343000 0.3915000       4.960000      0.4413000      0.3828000      0.5899000
  1 1 1      -1  -17   24 f    6.712000      0.2623000       6.716000 0.3543000       6.707000      0.3868000      0.8905000E-02  0.5245000
  1 1 1      -1  -17   25 o    5.468000      0.3159000       5.206000 0.4486000       5.729000      0.4449000     -0.5229000      0.6318000
  1 1 1      -1  -17   26 o    4.551000      0.4037000       5.126000 0.4628000       3.976000      0.6616000       1.150000      0.8075000
  1 1 1      -1  -17   27 o    1.675000      0.5134000       1.766000 0.7245000       1.584000      0.7276000      0.1817000       1.027000
  1 1 1      -1  -17   28 o    2.381000      0.5792000       2.475000 0.7761000       2.287000      0.8598000      0.1884000       1.158000
  1 1 1      -1  -17   29 o    3.894000      0.5039000       3.780000 0.6640000       4.007000      0.7583000     -0.2276000       1.008000
  1 1 1      -1  -17   30 o    4.485000      0.4526000       4.639000 0.5589000       4.331000      0.7120000      0.3077000      0.9052000
  1 1 1      -1  -17   31 o    2.871000      0.7058000       2.637000 1.071000       3.105000      0.9194000     -0.4680000       1.412000
  1 1 1      -1  -17   32 o    1.883000      0.5735000       1.878000 0.8011000       1.887000      0.8207000     -0.8536000E-02   1.147000
  1 1 1      -1  -17   33 o    2.715000      0.6778000       3.413000 1.062000       2.018000      0.8426000       1.395000       1.356000
  1 1 1      -1  -16    1 o    6.215000      0.3803000       6.903000 0.4178000       5.528000      0.6355000       1.375000      0.7605000
  1 1 1      -1  -16    2 o    5.298000      0.2933000       5.620000 0.3574000       4.975000      0.4651000      0.6450000      0.5866000
  1 1 1      -1  -16    3 o    6.975000      0.2327000       7.318000 0.3284000       6.632000      0.3298000      0.6862000      0.4654000
  1 1 1      -1  -16    4 o    6.327000      0.2069000       6.161000 0.3058000       6.494000      0.2787000     -0.3329000      0.4138000
  1 1 1      -1  -16    5 o    4.160000      0.2282000       4.271000 0.3383000       4.050000      0.3063000      0.2213000      0.4563000
  1 1 1      -1  -16    6 o    7.715000      0.1738000       7.789000 0.2596000       7.641000      0.2313000      0.1481000      0.3477000
  1 1 1      -1  -16    7 o    9.823000      0.1765000       9.790000 0.2610000       9.856000      0.2375000     -0.6605000E-01  0.3529000
  1 1 1      -1  -16    8 o    5.547000      0.1749000       5.738000 0.2591000       5.356000      0.2351000      0.3812000      0.3498000
  1 1 1      -1  -16    9 o    6.337000      0.1905000       6.424000 0.3111000       6.250000      0.2199000      0.1746000      0.3810000
  1 1 1      -1  -16   10 o    7.825000      0.1625000       7.697000 0.2373000       7.953000      0.2220000     -0.2553000      0.3250000
  1 1 1      -1  -16   11 o    3.898000      0.3161000       3.898000 0.3161000                  ?              ?              ?              ?
  1 1 1      -1  -16   12 o    8.528000      0.1703000       8.607000 0.2470000       8.449000      0.2344000      0.1582000      0.3405000
  1 1 1      -1  -16   13 o    8.569000      0.2381000                  ?       ?   8.569000      0.2381000                  ?              ?
  1 1 1      -1  -16   14 o    3.149000      0.2912000       2.790000 0.4491000       3.508000      0.3708000     -0.7177000      0.5824000
  1 1 1      -1  -16   15 o    7.672000      0.1862000       7.436000 0.2660000       7.907000      0.2605000     -0.4703000      0.3723000
  1 1 1      -1  -16   16 f    8.899000      0.3166000       8.390000 0.4989000       9.408000      0.3899000      -1.018000      0.6332000
  1 1 1      -1  -16   17 o    4.055000      0.5274000       3.591000 0.9169000       4.520000      0.5213000     -0.9288000       1.055000
  1 1 1      -1  -16   18 o    5.996000      0.3877000       6.174000 0.6126000       5.818000      0.4753000      0.3562000      0.7753000
  1 1 1      -1  -16   19 o    3.822000      0.5756000       4.310000 0.8506000       3.333000      0.7758000      0.9767000       1.151000
  1 1 1      -1  -16   20 o    2.015000      0.4392000       2.681000 0.6373000       1.348000      0.6046000       1.334000      0.8784000
  1 1 1      -1  -16   21 o    14.99000      0.2436000       14.62000 0.3399000       15.37000      0.3491000     -0.7505000      0.4872000
  1 1 1      -1  -16   22 o    6.899000      0.2378000       6.815000 0.3311000       6.982000      0.3415000     -0.1665000      0.4757000
  1 1 1      -1  -16   23 o    2.765000      0.5458000       3.271000 0.6368000       2.259000      0.8866000       1.012000       1.092000
  1 1 1      -1  -16   24 o    7.593000      0.3283000       7.715000 0.3933000       7.472000      0.5257000      0.2431000      0.6566000
  1 1 1      -1  -16   25 f    8.525000      0.2631000       8.674000 0.3926000       8.375000      0.3503000      0.2993000      0.5262000
  1 1 1      -1  -16   26 o    2.056000      0.5274000       1.529000 0.6619000       2.584000      0.8212000      -1.055000       1.055000
  1 1 1      -1  -16   27 o    4.635000      0.3896000       4.440000 0.5264000       4.831000      0.5746000     -0.3910000      0.7792000
  1 1 1      -1  -16   28 o    6.837000      0.2953000       6.582000 0.4021000       7.091000      0.4327000     -0.5092000      0.5907000
  1 1 1      -1  -16   29 o    2.232000      0.5777000       1.996000 0.7711000       2.467000      0.8605000     -0.4702000       1.155000
  1 1 1      -1  -16   30 o    2.009000      0.5552000       1.610000 0.7121000       2.409000      0.8521000     -0.7982000       1.110000
  1 1 1      -1  -16   31 o    5.330000      0.3986000       5.445000 0.5267000       5.214000      0.5985000      0.2312000      0.7972000
  1 1 1      -1  -16   32 o    2.353000      0.6018000       2.781000 0.8736000       1.926000      0.8278000      0.8559000       1.204000
  1 1 1      -1  -16   33 o    2.480000      0.6141000       2.208000 0.8314000       2.752000      0.9041000     -0.5443000       1.228000
  1 1 1      -1  -15    1 o    5.179000      0.3904000       4.899000 0.4888000       5.458000      0.6088000     -0.5590000      0.7807000
  1 1 1      -1  -15    2 o    5.234000      0.2842000       5.568000 0.3408000       4.899000      0.4548000      0.6684000      0.5683000
  1 1 1      -1  -15    3 o    11.87000      0.2628000       11.58000 0.3415000       12.16000      0.3994000     -0.5769000      0.5255000
  1 1 1      -1  -15    4 o    7.553000      0.1895000       7.879000 0.2817000       7.227000      0.2537000      0.6521000      0.3791000
  1 1 1      -1  -15    5 f    5.444000      0.1766000       5.222000 0.2637000       5.666000      0.2350000     -0.4440000      0.3532000
  1 1 1      -1  -15    6 o    12.54000      0.1963000       12.77000 0.2870000       12.31000      0.2677000      0.4637000      0.3925000
  1 1 1      -1  -15    7 o    3.940000      0.2004000       3.880000 0.3100000       4.000000      0.2542000     -0.1203000      0.4009000
  1 1 1      -1  -15    8 o    4.822000      0.1701000       4.800000 0.2516000       4.844000      0.2289000     -0.4398000E-01  0.3402000
  1 1 1      -1  -15    9 o    5.690000      0.1615000       5.917000 0.2329000       5.464000      0.2239000      0.4529000      0.3231000
  1 1 1      -1  -15   10 o    4.791000      0.1703000       4.945000 0.2443000       4.637000      0.2373000      0.3087000      0.3406000
  1 1 1      -1  -15   11 o    1.234000      0.3463000       1.499000 0.5267000      0.9688000      0.4497000      0.5305000      0.6926000
  1 1 1      -1  -15   12 o    7.690000      0.1655000       7.699000 0.2371000       7.680000      0.2310000      0.1888000E-01  0.3310000
  1 1 1      -1  -15   13 o    9.324000      0.1790000       9.381000 0.2577000       9.267000      0.2485000      0.1143000      0.3580000
  1 1 1      -1  -15   14 o    5.672000      0.1900000       5.906000 0.2640000       5.437000      0.2732000      0.4682000      0.3799000
  1 1 1      -1  -15   15 o    1.526000      0.3688000       2.025000 0.5591000       1.026000      0.4812000      0.9994000      0.7377000
  1 1 1      -1  -15   16 o    6.865000      0.1928000       6.899000 0.2631000       6.831000      0.2819000      0.6823000E-01  0.3856000
  1 1 1      -1  -15   17 o    2.169000      0.4232000       2.277000 0.5535000       2.061000      0.6404000      0.2161000      0.8464000
  1 1 1      -1  -15   18 o    5.730000      0.2308000       5.926000 0.3069000       5.534000      0.3448000      0.3918000      0.4616000
  1 1 1      -1  -15   19 o    3.169000      0.4037000       2.586000 0.6491000       3.752000      0.4801000      -1.166000      0.8074000
  1 1 1      -1  -15   20 o    9.645000      0.3265000       9.290000 0.4986000       10.00000      0.4219000     -0.7112000      0.6531000
  1 1 1      -1  -15   21 o    9.145000      0.3312000       9.010000 0.5169000       9.279000      0.4143000     -0.2693000      0.6624000
  1 1 1      -1  -15   22 o    3.438000      0.4725000       4.118000 0.4248000       2.758000      0.8441000       1.360000      0.9450000
  1 1 1      -1  -15   23 o    2.189000      0.5047000       2.197000 0.6869000       2.182000      0.7395000      0.1504000E-01   1.009000
  1 1 1      -1  -15   24 o    2.287000      0.4838000       1.559000 0.6604000       3.014000      0.7072000      -1.456000      0.9676000
  1 1 1      -1  -15   25 o    2.511000      0.6086000       2.244000 0.7678000       2.779000      0.9445000     -0.5349000       1.217000
  1 1 1      -1  -15   26 o    5.407000      0.4344000       5.833000 0.4705000       4.981000      0.7303000      0.8515000      0.8687000
  1 1 1      -1  -15   27 o    3.804000      0.4606000       3.113000 0.7294000       4.496000      0.5626000      -1.384000      0.9212000
  1 1 1      -1  -15   28 o    4.898000      0.3697000       5.112000 0.4544000       4.684000      0.5833000      0.4274000      0.7395000
  1 1 1      -1  -15   29 o    2.482000      0.5547000       3.018000 0.7587000       1.946000      0.8095000       1.072000       1.109000
  1 1 1      -1  -15   30 o    3.194000      0.5651000       2.928000 0.7905000       3.460000      0.8079000     -0.5318000       1.130000
  1 1 1      -1  -15   31 o    1.818000      0.5478000       2.014000 0.7937000       1.623000      0.7552000      0.3910000       1.096000
  1 1 1      -1  -15   32 o    4.645000      0.4282000       4.594000 0.5657000       4.697000      0.6429000     -0.1026000      0.8564000
  1 1 1      -1  -15   33 o    2.156000      0.5941000       2.189000 0.8302000       2.122000      0.8501000      0.6684000E-01   1.188000
  1 1 1      -1  -15   34 o    2.296000      0.6057000       2.216000 0.8439000       2.376000      0.8691000     -0.1596000       1.211000
  1 1 1      -1  -14    1 o    6.018000      0.3222000       5.537000 0.4280000       6.499000      0.4817000     -0.9622000      0.6444000
  1 1 1      -1  -14    2 o    13.05000      0.2898000       12.78000 0.3867000       13.32000      0.4316000     -0.5351000      0.5795000
  1 1 1      -1  -14    3 o    4.612000      0.2293000       4.492000 0.3278000       4.733000      0.3206000     -0.2404000      0.4585000
  1 1 1      -1  -14    4 o    2.677000      0.3053000       2.476000 0.4728000       2.878000      0.3862000     -0.4023000      0.6105000
  1 1 1      -1  -14    5 o    3.219000      0.2355000       3.168000 0.3624000       3.270000      0.3009000     -0.1016000      0.4710000
  1 1 1      -1  -14    6 o    3.707000      0.2116000       3.491000 0.3361000       3.923000      0.2572000     -0.4327000      0.4232000
  1 1 1      -1  -14    7 o    5.296000      0.1534000       5.133000 0.2299000       5.460000      0.2032000     -0.3264000      0.3068000
  1 1 1      -1  -14    8 o    2.400000      0.2652000       2.538000 0.3769000       2.262000      0.3731000      0.2754000      0.5303000
  1 1 1      -1  -14    9 o    4.157000      0.1735000       4.259000 0.2493000       4.056000      0.2415000      0.2034000      0.3471000
  1 1 1      -1  -14   10 o    8.955000      0.1630000       8.857000 0.2318000       9.052000      0.2292000     -0.1951000      0.3260000
  1 1 1      -1  -14   11 o    4.200000      0.1947000       4.117000 0.2728000       4.282000      0.2779000     -0.1647000      0.3894000
  1 1 1      -1  -14   12 o    5.031000      0.1895000       5.162000 0.2606000       4.900000      0.2753000      0.2616000      0.3791000
  1 1 1      -1  -14   13 o    8.768000      0.1730000       8.628000 0.2463000       8.908000      0.2430000     -0.2798000      0.3460000
  1 1 1      -1  -14   14 o    8.153000      0.1767000       8.191000 0.2543000       8.115000      0.2455000      0.7669000E-01  0.3534000
  1 1 1      -1  -14   15 o    2.474000      0.3718000       2.463000 0.5139000       2.484000      0.5374000     -0.2126000E-01  0.7436000
  1 1 1      -1  -14   16 o    1.729000      0.4277000       1.626000 0.5800000       1.832000      0.6288000     -0.2053000      0.8555000
  1 1 1      -1  -14   17 o    5.726000      0.2103000       5.801000 0.2900000       5.651000      0.3045000      0.1495000      0.4205000
  1 1 1      -1  -14   18 o    2.103000      0.4492000       1.843000 0.6226000       2.363000      0.6476000     -0.5194000      0.8983000
  1 1 1      -1  -14   19 f    3.570000      0.3323000       2.890000 0.5250000       4.250000      0.4076000      -1.360000      0.6647000
  1 1 1      -1  -14   20 o    7.147000      0.2150000       7.069000 0.2955000       7.226000      0.3124000     -0.1569000      0.4300000
  1 1 1      -1  -14   21 o    3.939000      0.3060000       3.729000 0.4284000       4.149000      0.4371000     -0.4200000      0.6120000
  1 1 1      -1  -14   22 o    9.707000      0.3382000       9.876000 0.5197000       9.537000      0.4327000      0.3388000      0.6763000
  1 1 1      -1  -14   23 o    6.822000      0.3918000       6.708000 0.6159000       6.936000      0.4843000     -0.2275000      0.7835000
  1 1 1      -1  -14   24 o    2.732000      0.5411000       2.562000 0.5977000       2.903000      0.9021000     -0.3417000       1.082000
  1 1 1      -1  -14   25 o    3.278000      0.4468000       2.661000 0.6820000       3.895000      0.5774000      -1.234000      0.8936000
  1 1 1      -1  -14   26 o    3.572000      0.4437000       3.417000 0.6087000       3.728000      0.6457000     -0.3117000      0.8874000
  1 1 1      -1  -14   27 o    2.333000      0.6303000       2.124000 0.7827000       2.542000      0.9883000     -0.4180000       1.261000
  1 1 1      -1  -14   28 o    3.638000      0.6021000       4.360000 0.6253000       2.916000       1.029000       1.444000       1.204000
  1 1 1      -1  -14   29 o    4.951000      0.3942000       4.987000 0.5069000       4.916000      0.6039000      0.7136000E-01  0.7884000
  1 1 1      -1  -14   30 o    2.964000      0.5588000       2.248000 0.8124000       3.680000      0.7675000      -1.431000       1.118000
  1 1 1      -1  -14   31 o    2.281000      0.5935000       2.490000 0.8321000       2.072000      0.8464000      0.4174000       1.187000
  1 1 1      -1  -14   32 o    3.817000      0.5218000       3.961000 0.6592000       3.674000      0.8092000      0.2869000       1.044000
  1 1 1      -1  -14   33 o    2.959000      0.5945000       2.628000 0.8442000       3.289000      0.8373000     -0.6611000       1.189000
  1 1 1      -1  -14   34 o    2.216000      0.5796000       1.807000 0.7647000       2.625000      0.8712000     -0.8181000       1.159000
  1 1 1      -1  -13    1 o    10.01000      0.2439000       10.25000 0.3476000       9.771000      0.3423000      0.4787000      0.4878000
  1 1 1      -1  -13    2 f    9.497000      0.2048000       9.324000 0.3040000       9.670000      0.2746000     -0.3462000      0.4096000
  1 1 1      -1  -13    3 o    6.477000      0.1791000       6.549000 0.2586000       6.404000      0.2480000      0.1444000      0.3583000
  1 1 1      -1  -13    4 o    7.852000      0.1580000       7.959000 0.2346000       7.746000      0.2117000      0.2131000      0.3160000
  1 1 1      -1  -13    5 o    14.14000      0.2081000       14.04000 0.2970000       14.24000      0.2915000     -0.2030000      0.4161000
  1 1 1      -1  -13    6 o   0.9795000      0.3037000       1.071000 0.4575000      0.8882000      0.3996000      0.1826000      0.6075000
  1 1 1      -1  -13    7 o    4.872000      0.1533000       4.817000 0.2260000       4.926000      0.2071000     -0.1090000      0.3065000
  1 1 1      -1  -13    8 o    10.64000      0.1704000       10.47000 0.2436000       10.80000      0.2383000     -0.3277000      0.3407000
  1 1 1      -1  -13    9 f    15.70000      0.2265000       15.77000 0.3218000       15.63000      0.3187000      0.1452000      0.4530000
  1 1 1      -1  -13   10 o    8.701000      0.1615000       8.798000 0.2293000       8.604000      0.2274000      0.1934000      0.3230000
  1 1 1      -1  -13   11 o    9.529000      0.1700000       9.506000 0.2382000       9.553000      0.2427000     -0.4650000E-01  0.3401000
  1 1 1      -1  -13   12 o    6.303000      0.2307000       6.303000 0.2307000                  ?              ?              ?              ?
  1 1 1      -1  -13   13 o    5.010000      0.1917000       5.191000 0.2628000       4.829000      0.2791000      0.3622000      0.3834000
  1 1 1      -1  -13   14 o    7.900000      0.2442000                  ?       ?   7.900000      0.2442000                  ?              ?
  1 1 1      -1  -13   15 o    7.015000      0.1884000       7.311000 0.2694000       6.720000      0.2633000      0.5915000      0.3767000
  1 1 1      -1  -13   16 o    7.654000      0.1880000       7.539000 0.2710000       7.770000      0.2606000     -0.2308000      0.3759000
  1 1 1      -1  -13   17 o    3.555000      0.2995000       3.813000 0.3673000       3.298000      0.4731000      0.5154000      0.5989000
  1 1 1      -1  -13   18 o    1.830000      0.4433000       1.695000 0.6050000       1.964000      0.6481000     -0.2697000      0.8866000
  1 1 1      -1  -13   19 o    3.543000      0.3222000       3.473000 0.4410000       3.614000      0.4699000     -0.1412000      0.6444000
  1 1 1      -1  -13   20 f    3.962000      0.3049000       3.746000 0.4319000       4.177000      0.4305000     -0.4309000      0.6098000
  1 1 1      -1  -13   21 o    6.242000      0.2387000       5.935000 0.3366000       6.549000      0.3386000     -0.6139000      0.4774000
  1 1 1      -1  -13   22 o    6.658000      0.2297000       6.085000 0.3324000       7.231000      0.3171000      -1.146000      0.4594000
  1 1 1      -1  -13   23 o    1.273000      0.4141000       1.354000 0.6029000       1.191000      0.5679000      0.1628000      0.8283000
  1 1 1      -1  -13   24 o    7.880000      0.3662000       8.367000 0.5745000       7.393000      0.4544000      0.9744000      0.7325000
  1 1 1      -1  -13   25 o    4.539000      0.5842000       4.072000 0.9861000       5.007000      0.6265000     -0.9346000       1.168000
  1 1 1      -1  -13   26 o    2.562000      0.5339000       2.355000 0.7260000       2.768000      0.7829000     -0.4139000       1.068000
  1 1 1      -1  -13   27 o    5.339000      0.3240000       5.360000 0.4402000       5.318000      0.4755000      0.4212000E-01  0.6480000
  1 1 1      -1  -13   28 o    6.283000      0.2898000       6.309000 0.4085000       6.257000      0.4111000      0.5150000E-01  0.5796000
  1 1 1      -1  -13   29 o    3.472000      0.6193000       2.608000 0.8523000       4.336000      0.8988000      -1.728000       1.239000
  1 1 1      -1  -13   30 o    2.682000      0.6061000       2.641000 0.8255000       2.723000      0.8877000     -0.8254000E-01   1.212000
  1 1 1      -1  -13   31 o    2.019000      0.5466000       2.613000 0.8540000       1.425000      0.6824000       1.188000       1.093000
  1 1 1      -1  -13   32 o    2.682000      0.5782000       3.346000 0.7824000       2.018000      0.8516000       1.328000       1.156000
  1 1 1      -1  -13   33 o    3.419000      0.5499000       4.259000 0.6635000       2.578000      0.8770000       1.681000       1.100000
  1 1 1      -1  -13   34 f    2.406000      0.5248000       3.377000 0.8004000       1.434000      0.6790000       1.943000       1.050000
  1 1 1      -1  -13   35 o    3.850000      0.5302000       4.088000 0.6903000       3.613000      0.8048000      0.4748000       1.060000
  1 1 1      -1  -12    1 o    15.26000      0.3257000       15.02000 0.3990000       15.51000      0.5149000     -0.4919000      0.6514000
  1 1 1      -1  -12    2 o    16.90000      0.2603000       16.77000 0.3827000       17.03000      0.3530000     -0.2580000      0.5206000
  1 1 1      -1  -12    3 o    10.32000      0.1807000       10.35000 0.2680000       10.29000      0.2426000      0.6003000E-01  0.3615000
  1 1 1      -1  -12    4 o    16.81000      0.2383000       16.89000 0.3412000       16.73000      0.3328000      0.1671000      0.4766000
  1 1 1      -1  -12    5 o    11.28000      0.1743000       11.12000 0.2488000       11.44000      0.2442000     -0.3199000      0.3486000
  1 1 1      -1  -12    6 o    8.327000      0.1450000       8.348000 0.2088000       8.305000      0.2011000      0.4338000E-01  0.2899000
  1 1 1      -1  -12    7 o    7.741000      0.1448000       7.870000 0.2093000       7.612000      0.2002000      0.2588000      0.2897000
  1 1 1      -1  -12    8 o    4.196000      0.1626000       4.237000 0.2299000       4.154000      0.2301000      0.8244000E-01  0.3253000
  1 1 1      -1  -12    9 o    11.56000      0.1801000       11.61000 0.2560000       11.51000      0.2534000      0.1066000      0.3602000
  1 1 1      -1  -12   10 o    8.640000      0.1614000       8.652000 0.2288000       8.628000      0.2277000      0.2437000E-01  0.3228000
  1 1 1      -1  -12   11 o    8.257000      0.1637000       8.382000 0.2321000       8.131000      0.2308000      0.2501000      0.3273000
  1 1 1      -1  -12   12 o    1.845000      0.5381000       1.845000 0.5381000                  ?              ?              ?              ?
  1 1 1      -1  -12   13 o    6.318000      0.1734000       6.165000 0.2460000       6.472000      0.2443000     -0.3068000      0.3467000
  1 1 1      -1  -12   14 o    8.351000      0.2505000                  ?       ?   8.351000      0.2505000                  ?              ?
  1 1 1      -1  -12   15 o    6.011000      0.1914000       6.218000 0.2695000       5.803000      0.2720000      0.4148000      0.3829000
  1 1 1      -1  -12   16 o    6.717000      0.1934000       6.755000 0.2704000       6.679000      0.2766000      0.7594000E-01  0.3868000
  1 1 1      -1  -12   17 o    9.778000      0.1933000       9.688000 0.2736000       9.868000      0.2731000     -0.1799000      0.3866000
  1 1 1      -1  -12   18 o    6.252000      0.2178000       6.386000 0.2994000       6.118000      0.3163000      0.2678000      0.4356000
  1 1 1      -1  -12   19 o    5.370000      0.2334000       5.305000 0.3165000       5.434000      0.3430000     -0.1290000      0.4667000
  1 1 1      -1  -12   20 o    1.833000      0.4631000       1.768000 0.6321000       1.897000      0.6769000     -0.1296000      0.9262000
  1 1 1      -1  -12   21 o    16.14000      0.2531000       15.99000 0.3570000       16.29000      0.3589000     -0.2923000      0.5062000
  1 1 1      -1  -12   22 o    5.990000      0.2409000       6.065000 0.3251000       5.915000      0.3556000      0.1492000      0.4818000
  1 1 1      -1  -12   23 o    6.037000      0.2486000       5.839000 0.3509000       6.235000      0.3523000     -0.3957000      0.4973000
  1 1 1      -1  -12   24 o    2.051000      0.5111000       1.968000 0.6978000       2.133000      0.7469000     -0.1650000       1.022000
  1 1 1      -1  -12   25 o    7.979000      0.2449000       7.487000 0.3412000       8.471000      0.3515000     -0.9832000      0.4899000
  1 1 1      -1  -12   26 o    7.290000      0.3992000       7.331000 0.6057000       7.249000      0.5201000      0.8187000E-01  0.7983000
  1 1 1      -1  -12   27 o    3.131000      0.7330000       3.531000 1.136000       2.732000      0.9260000      0.7994000       1.466000
  1 1 1      -1  -12   28 o    7.946000      0.2631000       8.055000 0.3673000       7.837000      0.3768000      0.2180000      0.5262000
  1 1 1      -1  -12   29 o    3.506000      0.5198000       4.054000 0.6051000       2.958000      0.8453000       1.096000       1.040000
  1 1 1      -1  -12   30 o    4.422000      0.5783000       4.313000 0.6642000       4.531000      0.9468000     -0.2174000       1.157000
  1 1 1      -1  -12   31 o    3.106000      0.6693000       3.346000 0.8278000       2.866000       1.052000      0.4797000       1.339000
  1 1 1      -1  -12   32 o    2.993000      0.6083000       2.913000 0.8460000       3.072000      0.8743000     -0.1592000       1.217000
  1 1 1      -1  -12   33 o    2.932000      0.5988000       2.824000 0.8405000       3.040000      0.8531000     -0.2160000       1.198000
  1 1 1      -1  -12   34 o    3.646000      0.5653000       3.562000 0.7934000       3.729000      0.8055000     -0.1671000       1.131000
  1 1 1      -1  -12   35 o    3.203000      0.6150000       3.430000 0.8105000       2.975000      0.9253000      0.4546000       1.230000
  1 1 1      -1  -11    1 o    8.981000      0.2080000       9.066000 0.3065000       8.897000      0.2813000      0.1685000      0.4160000
  1 1 1      -1  -11    2 o    35.71000      0.4871000       36.03000 0.6977000       35.39000      0.6799000      0.6439000      0.9742000
  1 1 1      -1  -11    3 o    10.18000      0.1659000       10.05000 0.2391000       10.32000      0.2300000     -0.2681000      0.3318000
  1 1 1      -1  -11    4 o    34.74000      0.4681000       35.05000 0.6692000       34.42000      0.6548000      0.6278000      0.9363000
  1 1 1      -1  -11    5 o    13.80000      0.1978000       13.99000 0.2844000       13.60000      0.2751000      0.3838000      0.3956000
  1 1 1      -1  -11    6 o    3.853000      0.1559000       4.037000 0.2257000       3.669000      0.2151000      0.3681000      0.3118000
  1 1 1      -1  -11    7 o    8.366000      0.1472000       8.427000 0.2096000       8.306000      0.2068000      0.1208000      0.2945000
  1 1 1      -1  -11    8 o    15.64000      0.2242000       15.82000 0.3207000       15.46000      0.3135000      0.3593000      0.4484000
  1 1 1      -1  -11    9 o    7.771000      0.1529000       8.001000 0.2173000       7.540000      0.2152000      0.4611000      0.3058000
  1 1 1      -1  -11   10 o    18.45000      0.2603000       18.57000 0.3706000       18.32000      0.3655000      0.2454000      0.5205000
  1 1 1      -1  -11   11 f    8.329000      0.1654000       8.388000 0.2356000       8.271000      0.2322000      0.1172000      0.3308000
  1 1 1      -1  -11   12 o    4.088000      0.2004000       4.073000 0.2802000       4.103000      0.2866000     -0.3007000E-01  0.4008000
  1 1 1      -1  -11   13 o    7.468000      0.1719000       7.504000 0.2406000       7.431000      0.2455000      0.7333000E-01  0.3438000
  1 1 1      -1  -11   14 o    5.405000      0.1950000       5.453000 0.2704000       5.358000      0.2810000      0.9443000E-01  0.3900000
  1 1 1      -1  -11   15 o    2.226000      0.4000000       2.203000 0.5527000       2.249000      0.5783000     -0.4642000E-01  0.7999000
  1 1 1      -1  -11   16 o    5.123000      0.2107000       5.054000 0.2931000       5.192000      0.3027000     -0.1374000      0.4213000
  1 1 1      -1  -11   17 o    6.223000      0.2007000       6.034000 0.2873000       6.412000      0.2802000     -0.3773000      0.4013000
  1 1 1      -1  -11   18 o    7.488000      0.1990000       7.151000 0.2830000       7.826000      0.2798000     -0.6749000      0.3979000
  1 1 1      -1  -11   19 o    5.254000      0.2387000       5.309000 0.3231000       5.199000      0.3514000      0.1108000      0.4773000
  1 1 1      -1  -11   20 o    4.325000      0.2870000       4.299000 0.3913000       4.351000      0.4200000     -0.5199000E-01  0.5740000
  1 1 1      -1  -11   21 o    7.825000      0.2146000       7.628000 0.2989000       8.021000      0.3079000     -0.3935000      0.4291000
  1 1 1      -1  -11   22 o    4.465000      0.2998000       4.860000 0.3668000       4.071000      0.4744000      0.7887000      0.5997000
  1 1 1      -1  -11   23 o    7.967000      0.2237000       7.907000 0.3136000       8.027000      0.3191000     -0.1200000      0.4474000
  1 1 1      -1  -11   24 o    4.691000      0.3145000       5.073000 0.3954000       4.310000      0.4893000      0.7635000      0.6291000
  1 1 1      -1  -11   25 o    13.59000      0.2442000       13.35000 0.3438000       13.83000      0.3467000     -0.4807000      0.4883000
  1 1 1      -1  -11   26 o    7.456000      0.2528000       7.349000 0.3498000       7.562000      0.3650000     -0.2131000      0.5056000
  1 1 1      -1  -11   27 o    4.094000      0.6132000       3.543000 1.007000       4.645000      0.7002000      -1.102000       1.226000
  1 1 1      -1  -11   28 o    6.199000      0.4838000       6.388000 0.7778000       6.011000      0.5755000      0.3772000      0.9676000
  1 1 1      -1  -11   29 o    4.902000      0.3686000       4.884000 0.5152000       4.920000      0.5273000     -0.3611000E-01  0.7372000
  1 1 1      -1  -11   30 o    7.457000      0.3022000       7.769000 0.4088000       7.145000      0.4452000      0.6240000      0.6044000
  1 1 1      -1  -11   31 o    2.640000      0.7030000       2.045000 0.8510000       3.235000       1.119000      -1.190000       1.406000
  1 1 1      -1  -11   32 o    2.368000      0.6129000       3.010000 0.9430000       1.726000      0.7831000       1.284000       1.226000
  1 1 1      -1  -11   33 o    3.130000      0.5790000       2.378000 0.8745000       3.882000      0.7590000      -1.504000       1.158000
  1 1 1      -1  -11   34 o    1.902000      0.5695000       1.714000 0.7590000       2.091000      0.8493000     -0.3765000       1.139000
  1 1 1      -1  -11   35 o    3.522000      0.5787000       3.491000 0.7875000       3.552000      0.8482000     -0.6100000E-01   1.157000
  1 1 1      -1  -11   36 o    1.941000      0.5655000       2.247000 0.8515000       1.635000      0.7443000      0.6123000       1.131000
  1 1 1      -1  -10    1 o    14.43000      0.3576000       13.92000 0.5620000       14.93000      0.4422000      -1.006000      0.7152000
  1 1 1      -1  -10    2 o    11.60000      0.3042000       11.45000 0.4844000       11.75000      0.3680000     -0.2973000      0.6083000
  1 1 1      -1  -10    3 o    17.05000      0.3407000       17.22000 0.4937000       16.87000      0.4696000      0.3542000      0.6814000
  1 1 1      -1  -10    4 o    17.95000      0.3513000       17.86000 0.4974000       18.03000      0.4963000     -0.1728000      0.7026000
  1 1 1      -1  -10    5 o    9.987000      0.2141000       9.844000 0.3023000       10.13000      0.3034000     -0.2853000      0.4283000
  1 1 1      -1  -10    6 o    12.24000      0.2512000       12.52000 0.3607000       11.96000      0.3497000      0.5595000      0.5024000
  1 1 1      -1  -10    7 o    6.147000      0.1857000       6.383000 0.2520000       5.912000      0.2728000      0.4702000      0.3714000
  1 1 1      -1  -10    8 o    15.21000      0.3054000       14.89000 0.4221000       15.53000      0.4416000     -0.6339000      0.6109000
  1 1 1      -1  -10    9 o    11.59000      0.2508000       11.41000 0.3472000       11.78000      0.3621000     -0.3618000      0.5016000
  1 1 1      -1  -10   10 o    9.115000      0.1667000       9.090000 0.2382000       9.141000      0.2331000     -0.5103000E-01  0.3333000
  1 1 1      -1  -10   11 o    2.574000      0.3185000       1.877000 0.5363000       3.271000      0.3438000      -1.393000      0.6370000
  1 1 1      -1  -10   12 o    3.019000      0.2712000       3.148000 0.3651000       2.890000      0.4012000      0.2579000      0.5424000
  1 1 1      -1  -10   13 o    8.769000      0.1742000       8.676000 0.2459000       8.862000      0.2468000     -0.1852000      0.3484000
  1 1 1      -1  -10   14 o    4.016000      0.2352000       4.270000 0.3129000       3.761000      0.3514000      0.5085000      0.4705000
  1 1 1      -1  -10   15 o    6.455000      0.1870000       6.394000 0.2609000       6.516000      0.2680000     -0.1219000      0.3740000
  1 1 1      -1  -10   16 o    12.16000      0.2048000       12.10000 0.2907000       12.22000      0.2885000     -0.1223000      0.4096000
  1 1 1      -1  -10   17 o    4.919000      0.2229000       4.736000 0.3171000       5.101000      0.3133000     -0.3647000      0.4458000
  1 1 1      -1  -10   18 o    11.88000      0.2099000       11.94000 0.2959000       11.83000      0.2976000      0.1067000      0.4197000
  1 1 1      -1  -10   19 o    3.895000      0.3005000       4.200000 0.3734000       3.590000      0.4709000      0.6099000      0.6010000
  1 1 1      -1  -10   20 o    7.496000      0.2112000       7.440000 0.2960000       7.552000      0.3014000     -0.1122000      0.4224000
  1 1 1      -1  -10   21 o    5.246000      0.2480000       5.192000 0.3506000       5.300000      0.3507000     -0.1085000      0.4959000
  1 1 1      -1  -10   22 o    2.141000      0.4886000       1.948000 0.6717000       2.334000      0.7096000     -0.3860000      0.9771000
  1 1 1      -1  -10   23 o    4.846000      0.2832000       4.550000 0.4003000       5.142000      0.4008000     -0.5922000      0.5665000
  1 1 1      -1  -10   24 o    2.591000      0.4813000       2.801000 0.6269000       2.381000      0.7306000      0.4198000      0.9627000
  1 1 1      -1  -10   25 o    13.25000      0.2400000       13.54000 0.3423000       12.96000      0.3366000      0.5766000      0.4800000
  1 1 1      -1  -10   26 o    6.228000      0.2699000       6.138000 0.3762000       6.317000      0.3870000     -0.1784000      0.5397000
  1 1 1      -1  -10   27 o    4.490000      0.3594000       4.415000 0.5130000       4.564000      0.5034000     -0.1496000      0.7188000
  1 1 1      -1  -10   28 o    5.971000      0.5333000       5.561000 0.9112000       6.380000      0.5545000     -0.8184000       1.067000
  1 1 1      -1  -10   29 o    15.64000      0.4058000       15.30000 0.6055000       15.98000      0.5404000     -0.6865000      0.8116000
  1 1 1      -1  -10   30 o    10.88000      0.2592000       10.80000 0.3678000       10.97000      0.3652000     -0.1692000      0.5183000
  1 1 1      -1  -10   31 o    6.413000      0.3373000       6.168000 0.4766000       6.658000      0.4774000     -0.4908000      0.6746000
  1 1 1      -1  -10   32 o    6.467000      0.4845000       6.923000 0.5289000       6.010000      0.8119000      0.9129000      0.9690000
  1 1 1      -1  -10   33 o    3.132000      0.5815000       3.871000 0.7425000       2.393000      0.8951000       1.478000       1.163000
  1 1 1      -1  -10   34 o    2.371000      0.5903000       2.800000 0.8710000       1.942000      0.7970000      0.8579000       1.181000
  1 1 1      -1  -10   35 o    2.964000      0.6045000       3.223000 0.8086000       2.705000      0.8989000      0.5176000       1.209000
  1 1 1      -1  -10   36 o    2.765000      0.5999000       3.200000 0.8183000       2.330000      0.8775000      0.8695000       1.200000
  1 1 1      -1   -9    1 o    8.600000      0.2753000       8.677000 0.5067000       8.523000      0.2152000      0.1546000      0.5505000
  1 1 1      -1   -9    2 o    8.741000      0.1441000       8.680000 0.2094000       8.801000      0.1980000     -0.1210000      0.2882000
  1 1 1      -1   -9    3 o    11.70000      0.1711000       11.98000 0.2490000       11.41000      0.2347000      0.5705000      0.3421000
  1 1 1      -1   -9    4 o    19.18000      0.2629000       19.18000 0.3727000       19.17000      0.3709000      0.1300000E-01  0.5257000
  1 1 1      -1   -9    5 o    9.505000      0.1490000       9.520000 0.2124000       9.491000      0.2089000      0.2864000E-01  0.2979000
  1 1 1      -1   -9    6 o    8.120000      0.1409000       8.033000 0.1992000       8.206000      0.1992000     -0.1732000      0.2818000
  1 1 1      -1   -9    7 o    26.43000      0.3592000       26.61000 0.5111000       26.25000      0.5048000      0.3578000      0.7184000
  1 1 1      -1   -9    8 o    22.09000      0.3042000       22.18000 0.4318000       21.99000      0.4286000      0.1902000      0.6084000
  1 1 1      -1   -9    9 o    4.274000      0.1714000       4.335000 0.2446000       4.214000      0.2400000      0.1209000      0.3427000
  1 1 1      -1   -9   10 o    7.357000      0.2143000       7.025000 0.2884000       7.688000      0.3169000     -0.6635000      0.4285000
  1 1 1      -1   -9   11 o    10.62000      0.2475000       10.75000 0.3433000       10.49000      0.3567000      0.2594000      0.4951000
  1 1 1      -1   -9   12 o    9.690000      0.2414000       9.661000 0.3273000       9.719000      0.3548000     -0.5786000E-01  0.4827000
  1 1 1      -1   -9   13 o    4.640000      0.1862000       4.904000 0.2745000       4.376000      0.2516000      0.5276000      0.3724000
  1 1 1      -1   -9   14 o    10.94000      0.1886000       10.89000 0.2676000       10.99000      0.2658000     -0.9072000E-01  0.3771000
  1 1 1      -1   -9   15 o    10.06000      0.1833000       9.796000 0.2524000       10.33000      0.2658000     -0.5306000      0.3665000
  1 1 1      -1   -9   16 o    11.98000      0.2045000       12.33000 0.2949000       11.63000      0.2834000      0.6981000      0.4090000
  1 1 1      -1   -9   17 o    13.97000      0.2224000       13.89000 0.3137000       14.06000      0.3152000     -0.1739000      0.4447000
  1 1 1      -1   -9   18 o    9.960000      0.1969000       9.834000 0.2769000       10.09000      0.2802000     -0.2526000      0.3939000
  1 1 1      -1   -9   19 o    8.111000      0.2026000       8.108000 0.2843000       8.114000      0.2887000     -0.5535000E-02  0.4052000
  1 1 1      -1   -9   20 o    8.026000      0.2041000       8.295000 0.2826000       7.757000      0.2946000      0.5387000      0.4082000
  1 1 1      -1   -9   21 o    12.45000      0.2195000       12.28000 0.3086000       12.62000      0.3124000     -0.3427000      0.4391000
  1 1 1      -1   -9   22 o    11.81000      0.2231000       11.49000 0.3127000       12.13000      0.3182000     -0.6339000      0.4461000
  1 1 1      -1   -9   23 o    9.257000      0.2168000       9.052000 0.3029000       9.462000      0.3101000     -0.4102000      0.4335000
  1 1 1      -1   -9   24 o    13.65000      0.2366000       13.37000 0.3316000       13.94000      0.3376000     -0.5675000      0.4732000
  1 1 1      -1   -9   25 o    7.993000      0.2300000       7.670000 0.3205000       8.315000      0.3298000     -0.6452000      0.4599000
  1 1 1      -1   -9   26 o    8.002000      0.2390000       7.853000 0.3344000       8.151000      0.3415000     -0.2983000      0.4779000
  1 1 1      -1   -9   27 o    8.102000      0.2508000       8.026000 0.3428000       8.179000      0.3660000     -0.1528000      0.5015000
  1 1 1      -1   -9   28 o    8.061000      0.2571000       7.897000 0.3555000       8.226000      0.3716000     -0.3292000      0.5143000
  1 1 1      -1   -9   29 o    8.167000      0.4256000       7.792000 0.6766000       8.542000      0.5166000     -0.7506000      0.8513000
  1 1 1      -1   -9   30 o    6.269000      0.3118000       6.312000 0.4316000       6.225000      0.4500000      0.8666000E-01  0.6236000
  1 1 1      -1   -9   31 o    5.318000      0.3754000       5.252000 0.5290000       5.385000      0.5329000     -0.1334000      0.7508000
  1 1 1      -1   -9   32 o    2.100000      0.6496000       2.030000 0.8655000       2.170000      0.9690000     -0.1394000       1.299000
  1 1 1      -1   -9   33 o    2.337000      0.6770000       2.296000 0.9002000       2.378000       1.011000     -0.8176000E-01   1.354000
  1 1 1      -1   -9   34 o    2.428000      0.6183000       2.704000 0.8876000       2.153000      0.8611000      0.5506000       1.237000
  1 1 1      -1   -9   35 o    2.720000      0.6312000       2.834000 0.8862000       2.607000      0.8991000      0.2266000       1.262000
  1 1 1      -1   -9   36 o    3.069000      0.5968000       2.637000 0.8681000       3.502000      0.8192000     -0.8647000       1.194000
  1 1 1      -1   -8    1 o    9.784000      0.1660000       9.892000 0.2472000       9.677000      0.2217000      0.2148000      0.3321000
  1 1 1      -1   -8    2 o    21.98000      0.2993000       21.79000 0.4211000       22.17000      0.4254000     -0.3853000      0.5986000
  1 1 1      -1   -8    3 o    9.062000      0.1384000       8.958000 0.1959000       9.166000      0.1955000     -0.2087000      0.2767000
  1 1 1      -1   -8    4 o    13.71000      0.1932000       13.88000 0.2766000       13.53000      0.2698000      0.3430000      0.3864000
  1 1 1      -1   -8    5 o    16.99000      0.3347000       17.06000 0.4762000       16.92000      0.4703000      0.1382000      0.6693000
  1 1 1      -1   -8    6 o    14.49000      0.2940000       14.39000 0.4156000       14.59000      0.4161000     -0.2001000      0.5881000
  1 1 1      -1   -8    7 o    6.479000      0.2092000       6.433000 0.3131000       6.526000      0.2776000     -0.9268000E-01  0.4184000
  1 1 1      -1   -8    8 o    19.01000      0.3768000       19.18000 0.5387000       18.84000      0.5269000      0.3390000      0.7535000
  1 1 1      -1   -8    9 o    1.896000      0.3244000       2.020000 0.4371000       1.771000      0.4793000      0.2482000      0.6487000
  1 1 1      -1   -8   10 f    14.52000      0.2139000       14.69000 0.3060000       14.35000      0.2989000      0.3450000      0.4278000
  1 1 1      -1   -8   11 o    7.620000      0.1617000       7.835000 0.2299000       7.405000      0.2274000      0.4300000      0.3234000
  1 1 1      -1   -8   12 o    5.189000      0.2497000       5.379000 0.3132000       4.999000      0.3888000      0.3800000      0.4993000
  1 1 1      -1   -8   13 o    5.772000      0.3175000       5.772000 0.3175000                  ?              ?              ?              ?
  1 1 1      -1   -8   14 o    8.329000      0.2400000       8.102000 0.3194000       8.556000      0.3582000     -0.4547000      0.4799000
  1 1 1      -1   -8   15 o    11.40000      0.2769000                  ?       ?   11.40000      0.2769000                  ?              ?
  1 1 1      -1   -8   16 o    8.514000      0.1870000       8.545000 0.2676000       8.483000      0.2614000      0.6252000E-01  0.3741000
  1 1 1      -1   -8   17 o    8.385000      0.1897000       8.445000 0.2710000       8.326000      0.2656000      0.1187000      0.3795000
  1 1 1      -1   -8   18 o    5.364000      0.2220000       5.496000 0.2960000       5.232000      0.3310000      0.2637000      0.4441000
  1 1 1      -1   -8   19 o    8.904000      0.1979000       9.365000 0.2770000       8.443000      0.2826000      0.9224000      0.3957000
  1 1 1      -1   -8   20 o    2.750000      0.4045000       3.062000 0.5044000       2.439000      0.6324000      0.6234000      0.8089000
  1 1 1      -1   -8   21 o    7.061000      0.2169000       6.829000 0.3060000       7.294000      0.3075000     -0.4657000      0.4338000
  1 1 1      -1   -8   22 f    4.942000      0.2736000       5.049000 0.3818000       4.835000      0.3920000      0.2135000      0.5472000
  1 1 1      -1   -8   23 o    9.112000      0.2175000       9.240000 0.3036000       8.984000      0.3116000      0.2560000      0.4351000
  1 1 1      -1   -8   24 o    3.602000      0.3946000       3.681000 0.5193000       3.522000      0.5944000      0.1592000      0.7893000
  1 1 1      -1   -8   25 o    5.444000      0.2802000       5.386000 0.3933000       5.503000      0.3991000     -0.1170000      0.5604000
  1 1 1      -1   -8   26 o    11.80000      0.2326000       11.69000 0.3248000       11.91000      0.3331000     -0.2195000      0.4653000
  1 1 1      -1   -8   27 o    4.210000      0.3655000       4.138000 0.5106000       4.281000      0.5231000     -0.1436000      0.7310000
  1 1 1      -1   -8   28 o    10.93000      0.2415000       10.59000 0.3422000       11.28000      0.3407000     -0.6885000      0.4829000
  1 1 1      -1   -8   29 o    6.233000      0.4818000       5.714000 0.7795000       6.752000      0.5665000      -1.038000      0.9636000
  1 1 1      -1   -8   30 o    4.099000      0.6740000       4.938000 0.9512000       3.260000      0.9552000       1.678000       1.348000
  1 1 1      -1   -8   31 o    14.63000      0.2753000       14.47000 0.3938000       14.78000      0.3847000     -0.3143000      0.5505000
  1 1 1      -1   -8   32 o    8.236000      0.2911000       8.101000 0.4143000       8.371000      0.4091000     -0.2698000      0.5823000
  1 1 1      -1   -8   33 o    8.301000      0.4072000       8.405000 0.5038000       8.198000      0.6400000      0.2063000      0.8145000
  1 1 1      -1   -8   34 o    6.137000      0.3744000       6.486000 0.5201000       5.788000      0.5386000      0.6984000      0.7487000
  1 1 1      -1   -8   35 o    1.801000      0.5510000       1.865000 0.7995000       1.737000      0.7583000      0.1278000       1.102000
  1 1 1      -1   -8   36 o    2.827000      0.6124000       2.739000 0.8657000       2.916000      0.8663000     -0.1763000       1.225000
  1 1 1      -1   -8   37 o    3.994000      0.5155000       4.885000 0.6122000       3.103000      0.8295000       1.782000       1.031000
  1 1 1      -1   -7    1 f    8.582000      0.1647000       8.851000 0.2679000       8.312000      0.1919000      0.5384000      0.3295000
  1 1 1      -1   -7    2 o    22.55000      0.3052000       22.76000 0.4361000       22.33000      0.4271000      0.4325000      0.6104000
  1 1 1      -1   -7    3 o    35.05000      0.4704000       35.26000 0.6699000       34.85000      0.6605000      0.4115000      0.9407000
  1 1 1      -1   -7    4 o    10.58000      0.1559000       10.69000 0.2223000       10.48000      0.2186000      0.2157000      0.3118000
  1 1 1      -1   -7    5 o    22.55000      0.3069000       22.46000 0.4326000       22.64000      0.4354000     -0.1818000      0.6138000
  1 1 1      -1   -7    6 o    14.28000      0.2039000       14.10000 0.2856000       14.47000      0.2911000     -0.3669000      0.4078000
  1 1 1      -1   -7    7 o    5.784000      0.1364000       5.717000 0.1930000       5.852000      0.1929000     -0.1350000      0.2729000
  1 1 1      -1   -7    8 o    5.822000      0.1460000       5.916000 0.2032000       5.728000      0.2097000      0.1888000      0.2920000
  1 1 1      -1   -7    9 o    13.67000      0.2877000       13.34000 0.4028000       14.00000      0.4109000     -0.6620000      0.5754000
  1 1 1      -1   -7   10 o    10.06000      0.2419000       10.15000 0.3486000       9.969000      0.3355000      0.1839000      0.4838000
  1 1 1      -1   -7   12 o    8.977000      0.1670000       8.886000 0.2334000       9.068000      0.2389000     -0.1822000      0.3340000
  1 1 1      -1   -7   13 o    10.59000      0.2554000       10.59000 0.2554000                  ?              ?              ?              ?
  1 1 1      -1   -7   14 o    9.408000      0.2453000       9.189000 0.3325000       9.628000      0.3609000     -0.4385000      0.4907000
  1 1 1      -1   -7   15 o    10.34000      0.3819000                  ?       ?   10.34000      0.3819000                  ?              ?
  1 1 1      -1   -7   16 o    8.276000      0.1850000       8.380000 0.2653000       8.171000      0.2580000      0.2096000      0.3700000
  1 1 1      -1   -7   17 o    10.86000      0.1993000       11.13000 0.2851000       10.59000      0.2786000      0.5434000      0.3986000
  1 1 1      -1   -7   18 o    8.807000      0.1933000       8.801000 0.2718000       8.812000      0.2750000     -0.1137000E-01  0.3867000
  1 1 1      -1   -7   19 o    3.596000      0.3070000       3.534000 0.4232000       3.657000      0.4448000     -0.1228000      0.6140000
  1 1 1      -1   -7   20 f    8.574000      0.2031000       8.473000 0.2848000       8.675000      0.2896000     -0.2019000      0.4062000
  1 1 1      -1   -7   21 o    9.492000      0.2107000       9.940000 0.2980000       9.044000      0.2978000      0.8965000      0.4213000
  1 1 1      -1   -7   22 o    4.330000      0.2924000       4.118000 0.4260000       4.542000      0.4007000     -0.4237000      0.5848000
  1 1 1      -1   -7   23 o    14.78000      0.2447000       14.73000 0.3453000       14.83000      0.3468000     -0.1016000      0.4894000
  1 1 1      -1   -7   24 o    9.097000      0.2218000       9.352000 0.3068000       8.843000      0.3204000      0.5088000      0.4436000
  1 1 1      -1   -7   25 o    9.660000      0.2218000       9.756000 0.3129000       9.564000      0.3146000      0.1915000      0.4437000
  1 1 1      -1   -7   26 o    8.132000      0.2924000       8.049000 0.3334000       8.215000      0.4805000     -0.1654000      0.5849000
  1 1 1      -1   -7   27 o    8.596000      0.2363000       8.615000 0.3292000       8.576000      0.3390000      0.3921000E-01  0.4725000
  1 1 1      -1   -7   28 o    4.293000      0.3702000       4.206000 0.5220000       4.380000      0.5252000     -0.1739000      0.7405000
  1 1 1      -1   -7   29 o    3.167000      0.5113000       3.518000 0.6336000       2.816000      0.8026000      0.7021000       1.023000
  1 1 1      -1   -7   30 o    8.505000      0.4014000       9.132000 0.6035000       7.878000      0.5295000       1.254000      0.8029000
  1 1 1      -1   -7   31 o    9.782000      0.4032000       9.768000 0.6330000       9.796000      0.4996000     -0.2766000E-01  0.8064000
  1 1 1      -1   -7   32 o    4.703000      0.4223000       4.982000 0.5613000       4.424000      0.6310000      0.5575000      0.8445000
  1 1 1      -1   -7   33 o    7.515000      0.4319000       7.861000 0.5177000       7.169000      0.6915000      0.6926000      0.8638000
  1 1 1      -1   -7   34 o    3.516000      0.7133000       3.901000 0.9482000       3.131000       1.066000      0.7703000       1.427000
  1 1 1      -1   -7   35 o    2.190000      0.6013000       2.347000 0.8686000       2.033000      0.8316000      0.3145000       1.203000
  1 1 1      -1   -7   36 o    2.565000      0.6031000       2.062000 0.8406000       3.067000      0.8651000      -1.004000       1.206000
  1 1 1      -1   -7   37 o    3.040000      0.5972000       3.190000 0.8371000       2.891000      0.8519000      0.2984000       1.194000
  1 1 1      -1   -6    1 o    8.670000      0.1326000       8.494000 0.1878000       8.846000      0.1874000     -0.3514000      0.2653000
  1 1 1      -1   -6    2 o    15.59000      0.2135000       16.06000 0.3110000       15.11000      0.2926000      0.9546000      0.4270000
  1 1 1      -1   -6    3 f    12.50000      0.1759000       12.40000 0.2476000       12.59000      0.2500000     -0.1930000      0.3518000
  1 1 1      -1   -6    4 o    14.85000      0.2076000       14.84000 0.2941000       14.86000      0.2931000     -0.1749000E-01  0.4152000
  1 1 1      -1   -6    5 o    19.85000      0.2719000       19.60000 0.3800000       20.10000      0.3891000     -0.4940000      0.5439000
  1 1 1      -1   -6    6 o    17.45000      0.2430000       17.29000 0.3409000       17.62000      0.3463000     -0.3244000      0.4860000
  1 1 1      -1   -6    7 o    16.68000      0.2340000       16.59000 0.3296000       16.77000      0.3323000     -0.1753000      0.4681000
  1 1 1      -1   -6    8 f    3.314000      0.1813000       3.226000 0.2588000       3.402000      0.2539000     -0.1765000      0.3626000
  1 1 1      -1   -6    9 o    7.965000      0.1481000       7.892000 0.2096000       8.037000      0.2093000     -0.1446000      0.2963000
  1 1 1      -1   -6   10 o    14.21000      0.2094000       14.20000 0.2962000       14.22000      0.2961000     -0.2698000E-01  0.4188000
  1 1 1      -1   -6   11 o    10.82000      0.2524000       10.74000 0.3592000       10.90000      0.3546000     -0.1665000      0.5048000
  1 1 1      -1   -6   12 o    7.320000      0.2329000       7.654000 0.3378000       6.985000      0.3208000      0.6687000      0.4658000
  1 1 1      -1   -6   13 o    8.599000      0.1696000       8.394000 0.2361000       8.803000      0.2437000     -0.4086000      0.3393000
  1 1 1      -1   -6   14 o    15.58000      0.2323000       15.63000 0.3292000       15.53000      0.3277000      0.1089000      0.4645000
  1 1 1      -1   -6   15 o    4.587000      0.2884000       4.106000 0.4083000       5.068000      0.4075000     -0.9614000      0.5769000
  1 1 1      -1   -6   16 o    13.40000      0.3007000       13.51000 0.4197000       13.28000      0.4306000      0.2355000      0.6013000
  1 1 1      -1   -6   17 o    2.948000      0.3357000       3.104000 0.4432000       2.792000      0.5044000      0.3121000      0.6715000
  1 1 1      -1   -6   18 o    6.384000      0.2001000       6.327000 0.2815000       6.441000      0.2846000     -0.1139000      0.4003000
  1 1 1      -1   -6   19 o    4.148000      0.2739000       4.290000 0.3748000       4.006000      0.3995000      0.2838000      0.5478000
  1 1 1      -1   -6   20 o    3.658000      0.3067000       3.346000 0.4568000       3.970000      0.4095000     -0.6240000      0.6134000
  1 1 1      -1   -6   21 o    2.646000      0.4370000       2.823000 0.5799000       2.470000      0.6540000      0.3526000      0.8741000
  1 1 1      -1   -6   22 o    6.044000      0.2322000       6.160000 0.3208000       5.928000      0.3359000      0.2317000      0.4645000
  1 1 1      -1   -6   23 o    6.029000      0.2416000       5.915000 0.3468000       6.143000      0.3365000     -0.2277000      0.4832000
  1 1 1      -1   -6   24 o    7.417000      0.2310000       7.680000 0.3149000       7.153000      0.3380000      0.5270000      0.4620000
  1 1 1      -1   -6   25 o    10.21000      0.2199000       10.07000 0.3098000       10.34000      0.3123000     -0.2638000      0.4399000
  1 1 1      -1   -6   26 o    15.03000      0.2534000       15.20000 0.3585000       14.86000      0.3583000      0.3390000      0.5069000
  1 1 1      -1   -6   27 o    1.750000      0.4889000       2.125000 0.7465000       1.376000      0.6316000      0.7485000      0.9778000
  1 1 1      -1   -6   28 f    3.326000      0.4772000       3.516000 0.6360000       3.135000      0.7117000      0.3808000      0.9545000
  1 1 1      -1   -6   29 o    6.055000      0.3058000       5.791000 0.4345000       6.320000      0.4304000     -0.5291000      0.6116000
  1 1 1      -1   -6   30 o    7.583000      0.4165000       7.359000 0.6567000       7.807000      0.5125000     -0.4483000      0.8330000
  1 1 1      -1   -6   31 o    2.692000      0.6641000       3.788000 1.099000       1.596000      0.7457000       2.191000       1.328000
  1 1 1      -1   -6   32 o    6.135000      0.3335000       6.395000 0.4473000       5.874000      0.4948000      0.5213000      0.6670000
  1 1 1      -1   -6   33 f    3.105000      0.5728000       2.443000 0.8599000       3.767000      0.7570000      -1.324000       1.146000
  1 1 1      -1   -6   34 o    8.531000      0.4151000       8.753000 0.5386000       8.310000      0.6317000      0.4436000      0.8302000
  1 1 1      -1   -6   35 o    4.606000      0.4390000       4.303000 0.6558000       4.908000      0.5838000     -0.6051000      0.8780000
  1 1 1      -1   -6   36 o    1.987000      0.5722000       2.069000 0.8262000       1.905000      0.7918000      0.1643000       1.144000
  1 1 1      -1   -6   37 o    5.362000      0.3752000       5.675000 0.5046000       5.049000      0.5554000      0.6257000      0.7504000
  1 1 1      -1   -5    1 o    20.24000      0.2732000       20.03000 0.3823000       20.46000      0.3904000     -0.4337000      0.5464000
  1 1 1      -1   -5    2 o    15.21000      0.2080000       15.31000 0.2960000       15.11000      0.2922000      0.1937000      0.4160000
  1 1 1      -1   -5    3 o    13.86000      0.1928000       13.63000 0.2687000       14.09000      0.2766000     -0.4649000      0.3856000
  1 1 1      -1   -5    4 o    17.43000      0.2397000       17.33000 0.3371000       17.54000      0.3408000     -0.2164000      0.4793000
  1 1 1      -1   -5    5 o    13.18000      0.1878000       13.43000 0.2699000       12.93000      0.2613000      0.4954000      0.3756000
  1 1 1      -1   -5    6 o    18.70000      0.2580000       18.66000 0.3643000       18.75000      0.3654000     -0.9028000E-01  0.5160000
  1 1 1      -1   -5    7 o    4.246000      0.1368000       4.213000 0.1914000       4.279000      0.1955000     -0.6627000E-01  0.2736000
  1 1 1      -1   -5    8 o    2.983000      0.2732000       2.484000 0.4860000       3.481000      0.2500000     -0.9968000      0.5465000
  1 1 1      -1   -5    9 o    11.98000      0.1815000       11.83000 0.2544000       12.12000      0.2591000     -0.2876000      0.3631000
  1 1 1      -1   -5   10 o    17.02000      0.2423000       16.98000 0.3427000       17.07000      0.3426000     -0.8750000E-01  0.4846000
  1 1 1      -1   -5   11 o    12.57000      0.1921000       12.33000 0.2678000       12.81000      0.2755000     -0.4787000      0.3842000
  1 1 1      -1   -5   12 o    11.69000      0.2307000       11.58000 0.3791000       11.79000      0.2631000     -0.2142000      0.4615000
  1 1 1      -1   -5   14 o    6.216000      0.1764000       6.295000 0.2436000       6.136000      0.2552000      0.1596000      0.3528000
  1 1 1      -1   -5   15 o    4.686000      0.2047000       4.987000 0.2784000       4.386000      0.3002000      0.6010000      0.4094000
  1 1 1      -1   -5   16 o    9.436000      0.2561000       9.765000 0.3607000       9.106000      0.3635000      0.6583000      0.5121000
  1 1 1      -1   -5   17 o    9.025000      0.2602000       8.843000 0.3539000       9.206000      0.3815000     -0.3623000      0.5204000
  1 1 1      -1   -5   18 o    2.565000      0.3828000       2.685000 0.5019000       2.446000      0.5783000      0.2392000      0.7657000
  1 1 1      -1   -5   19 o    5.181000      0.2246000       5.233000 0.3143000       5.129000      0.3209000      0.1040000      0.4492000
  1 1 1      -1   -5   20 o    7.811000      0.1959000       7.827000 0.2769000       7.794000      0.2770000      0.3307000E-01  0.3917000
  1 1 1      -1   -5   21 o    4.416000      0.2726000       4.076000 0.3986000       4.756000      0.3721000     -0.6805000      0.5453000
  1 1 1      -1   -5   22 o    2.679000      0.4259000       2.539000 0.6198000       2.818000      0.5843000     -0.2792000      0.8518000
  1 1 1      -1   -5   23 o    2.845000      0.4388000       2.997000 0.5880000       2.693000      0.6516000      0.3037000      0.8777000
  1 1 1      -1   -5   24 o    7.839000      0.2251000       7.867000 0.3076000       7.811000      0.3287000      0.5620000E-01  0.4502000
  1 1 1      -1   -5   25 o    2.237000      0.4865000       1.959000 0.7010000       2.515000      0.6747000     -0.5556000      0.9729000
  1 1 1      -1   -5   26 o    7.216000      0.2441000       7.102000 0.3465000       7.330000      0.3439000     -0.2287000      0.4882000
  1 1 1      -1   -5   27 o    3.704000      0.3997000       3.165000 0.6159000       4.243000      0.5096000      -1.078000      0.7994000
  1 1 1      -1   -5   28 o    8.934000      0.2476000       9.166000 0.3476000       8.701000      0.3527000      0.4649000      0.4952000
  1 1 1      -1   -5   29 o    8.279000      0.2542000       8.401000 0.3481000       8.156000      0.3705000      0.2446000      0.5084000
  1 1 1      -1   -5   30 o    2.473000      0.5461000       1.805000 0.7517000       3.142000      0.7924000      -1.337000       1.092000
  1 1 1      -1   -5   31 o    4.540000      0.6333000       4.123000 1.012000       4.958000      0.7611000     -0.8345000       1.267000
  1 1 1      -1   -5   32 o    2.939000      0.5923000       3.224000 0.8080000       2.653000      0.8664000      0.5709000       1.185000
  1 1 1      -1   -5   33 o    4.261000      0.4890000       5.157000 0.5661000       3.364000      0.7975000       1.793000      0.9780000
  1 1 1      -1   -5   34 o    5.855000      0.5349000       5.765000 0.6682000       5.946000      0.8353000     -0.1812000       1.070000
  1 1 1      -1   -5   35 o    9.427000      0.3557000       9.975000 0.3929000       8.880000      0.5929000       1.095000      0.7113000
  1 1 1      -1   -5   36 o    2.433000      0.6119000       2.381000 0.8590000       2.484000      0.8717000     -0.1036000       1.224000
  1 1 1      -1   -5   37 o    5.090000      0.3954000       4.807000 0.5826000       5.372000      0.5346000     -0.5657000      0.7907000
  1 1 1      -1   -4    1 o    4.429000      0.9899000E-01   4.453000 0.1177000       4.405000      0.1592000      0.4765000E-01  0.1980000
  1 1 1      -1   -4    2 o    17.96000      0.2437000       17.96000 0.3447000       17.96000      0.3445000      0.7679000E-02  0.4873000
  1 1 1      -1   -4    3 o    20.03000      0.2716000       20.03000 0.3841000       20.04000      0.3842000     -0.8247000E-02  0.5433000
  1 1 1      -1   -4    4 o    25.83000      0.3488000       25.82000 0.4940000       25.84000      0.4926000     -0.2507000E-01  0.6976000
  1 1 1      -1   -4    5 o    22.83000      0.3100000       23.07000 0.4424000       22.58000      0.4344000      0.4909000      0.6200000
  1 1 1      -1   -4    6 o    27.54000      0.3719000       27.60000 0.5272000       27.48000      0.5247000      0.1152000      0.7439000
  1 1 1      -1   -4    7 o    5.267000      0.1255000       5.314000 0.1761000       5.219000      0.1788000      0.9467000E-01  0.2510000
  1 1 1      -1   -4    8 o    5.128000      0.1338000       5.203000 0.1855000       5.052000      0.1928000      0.1511000      0.2675000
  1 1 1      -1   -4    9 o    30.91000      0.4178000       30.90000 0.5905000       30.92000      0.5911000     -0.2910000E-01  0.8355000
  1 1 1      -1   -4   10 o    17.21000      0.2430000       17.22000 0.3440000       17.20000      0.3433000      0.2169000E-01  0.4860000
  1 1 1      -1   -4   11 o    8.497000      0.1541000       8.663000 0.2197000       8.331000      0.2160000      0.3322000      0.3081000
  1 1 1      -1   -4   12 o    14.48000      0.2144000       14.68000 0.3058000       14.28000      0.3005000      0.3978000      0.4287000
  1 1 1      -1   -4   13 o    22.20000      0.4377000       21.96000 0.6137000       22.43000      0.6242000     -0.4727000      0.8754000
  1 1 1      -1   -4   14 o    9.557000      0.3522000       9.557000 0.3522000                  ?              ?              ?              ?
  1 1 1      -1   -4   15 o    7.865000      0.1723000       8.022000 0.2413000       7.707000      0.2461000      0.3153000      0.3447000
  1 1 1      -1   -4   16 o    1.474000      0.5633000                  ?       ?   1.474000      0.5633000                  ?              ?
  1 1 1      -1   -4   17 o    9.009000      0.2585000       8.482000 0.3491000       9.535000      0.3813000      -1.053000      0.5169000
  1 1 1      -1   -4   18 o    6.879000      0.1927000       6.587000 0.2787000       7.170000      0.2664000     -0.5831000      0.3855000
  1 1 1      -1   -4   19 o    7.153000      0.1968000       7.104000 0.2782000       7.203000      0.2784000     -0.9937000E-01  0.3935000
  1 1 1      -1   -4   20 o    11.46000      0.2077000       11.69000 0.2944000       11.24000      0.2930000      0.4445000      0.4154000
  1 1 1      -1   -4   21 o    8.587000      0.2038000       8.437000 0.2895000       8.736000      0.2870000     -0.2986000      0.4077000
  1 1 1      -1   -4   22 o    6.717000      0.2245000       6.976000 0.3075000       6.458000      0.3273000      0.5182000      0.4491000
  1 1 1      -1   -4   23 o    2.713000      0.4448000       2.586000 0.6299000       2.839000      0.6281000     -0.2532000      0.8895000
  1 1 1      -1   -4   24 o    5.870000      0.2560000       5.762000 0.3651000       5.978000      0.3590000     -0.2160000      0.5120000
  1 1 1      -1   -4   25 o    9.330000      0.2199000       9.293000 0.3075000       9.366000      0.3144000     -0.7366000E-01  0.4398000
  1 1 1      -1   -4   26 o    6.432000      0.2525000       6.302000 0.3549000       6.563000      0.3593000     -0.2617000      0.5050000
  1 1 1      -1   -4   27 f    9.317000      0.2306000       9.223000 0.3221000       9.411000      0.3302000     -0.1879000      0.4613000
  1 1 1      -1   -4   28 o    14.71000      0.2563000       14.89000 0.3646000       14.52000      0.3603000      0.3712000      0.5126000
  1 1 1      -1   -4   29 o    3.181000      0.4971000       3.513000 0.6401000       2.850000      0.7607000      0.6633000      0.9942000
  1 1 1      -1   -4   30 o    2.167000      0.5633000       2.011000 0.7646000       2.324000      0.8275000     -0.3127000       1.127000
  1 1 1      -1   -4   31 o    8.241000      0.3925000       8.190000 0.6087000       8.292000      0.4957000     -0.1016000      0.7850000
  1 1 1      -1   -4   32 o    6.946000      0.3187000       7.381000 0.4429000       6.512000      0.4583000      0.8686000      0.6373000
  1 1 1      -1   -4   33 o    2.591000      0.5964000       2.958000 0.8494000       2.225000      0.8374000      0.7332000       1.193000
  1 1 1      -1   -4   34 o    4.002000      0.7215000       3.920000 0.9430000       4.084000       1.092000     -0.1631000       1.443000
  1 1 1      -1   -4   35 o    2.489000      0.6199000       2.680000 0.8887000       2.299000      0.8646000      0.3813000       1.240000
  1 1 1      -1   -4   36 o    6.714000      0.3332000       6.810000 0.4611000       6.618000      0.4810000      0.1916000      0.6664000
  1 1 1      -1   -4   37 o    3.646000      0.5461000       3.518000 0.8174000       3.773000      0.7244000     -0.2545000       1.092000
  1 1 1      -1   -4   38 o    3.147000      0.6178000       2.516000 0.9987000       3.777000      0.7277000      -1.261000       1.236000
  1 1 1      -1   -3    1 o    23.86000      0.3202000       24.00000 0.4556000       23.72000      0.4500000      0.2840000      0.6403000
  1 1 1      -1   -3    2 o    10.19000      0.1444000       10.17000 0.2042000       10.21000      0.2041000     -0.3933000E-01  0.2887000
  1 1 1      -1   -3    3 o    28.24000      0.3794000       28.01000 0.5326000       28.48000      0.5406000     -0.4771000      0.7589000
  1 1 1      -1   -3    4 o    14.16000      0.2428000       14.50000 0.4013000       13.82000      0.2735000      0.6828000      0.4857000
  1 1 1      -1   -3    5 o    9.316000      0.1413000       9.259000 0.1985000       9.372000      0.2011000     -0.1126000      0.2825000
  1 1 1      -1   -3    6 o    15.28000      0.2135000       15.58000 0.3070000       14.98000      0.2968000      0.6027000      0.4270000
  1 1 1      -1   -3    7 o    24.75000      0.3357000       24.54000 0.4711000       24.95000      0.4784000     -0.4065000      0.6714000
  1 1 1      -1   -3    8 o    7.427000      0.1647000       7.400000 0.2696000       7.455000      0.1891000     -0.5472000E-01  0.3293000
  1 1 1      -1   -3    9 o    18.24000      0.2541000       18.12000 0.3569000       18.37000      0.3619000     -0.2522000      0.5082000
  1 1 1      -1   -3   10 o    8.814000      0.1513000       8.922000 0.2150000       8.707000      0.2128000      0.2147000      0.3026000
  1 1 1      -1   -3   11 o    5.278000      0.1491000       5.270000 0.2052000       5.285000      0.2165000     -0.1463000E-01  0.2983000
  1 1 1      -1   -3   12 o    6.537000      0.1513000       6.659000 0.2122000       6.416000      0.2157000      0.2425000      0.3026000
  1 1 1      -1   -3   13 o    21.73000      0.3028000       21.82000 0.4294000       21.64000      0.4270000      0.1803000      0.6056000
  1 1 1      -1   -3   14 o    7.385000      0.3289000       7.385000 0.3289000                  ?              ?              ?              ?
  1 1 1      -1   -3   15 o    17.93000      0.2593000       17.74000 0.3632000       18.12000      0.3703000     -0.3893000      0.5187000
  1 1 1      -1   -3   16 o    16.37000      0.3436000                  ?       ?   16.37000      0.3436000                  ?              ?
  1 1 1      -1   -3   17 o    10.11000      0.2631000       10.00000 0.3642000       10.22000      0.3798000     -0.2121000      0.5262000
  1 1 1      -1   -3   18 o    7.030000      0.2650000       6.755000 0.3674000       7.304000      0.3819000     -0.5498000      0.5299000
  1 1 1      -1   -3   19 o    7.110000      0.1925000       7.032000 0.2735000       7.189000      0.2710000     -0.1574000      0.3850000
  1 1 1      -1   -3   20 o    10.44000      0.2033000       10.16000 0.2861000       10.73000      0.2888000     -0.5742000      0.4066000
  1 1 1      -1   -3   21 o    8.261000      0.2012000       8.257000 0.2851000       8.265000      0.2839000     -0.8575000E-02  0.4023000
  1 1 1      -1   -3   22 o    1.637000      0.4514000       1.591000 0.6322000       1.682000      0.6444000     -0.9083000E-01  0.9027000
  1 1 1      -1   -3   23 o    2.683000      0.4430000       2.423000 0.6524000       2.943000      0.5996000     -0.5207000      0.8861000
  1 1 1      -1   -3   24 o    8.560000      0.2188000       8.705000 0.3117000       8.414000      0.3071000      0.2912000      0.4375000
  1 1 1      -1   -3   25 o    15.25000      0.2508000       15.26000 0.3544000       15.24000      0.3548000      0.2446000E-01  0.5015000
  1 1 1      -1   -3   26 o    9.707000      0.2220000       9.561000 0.3129000       9.853000      0.3151000     -0.2926000      0.4441000
  1 1 1      -1   -3   27 o    11.80000      0.2301000       11.77000 0.3227000       11.84000      0.3282000     -0.6851000E-01  0.4603000
  1 1 1      -1   -3   28 o    14.45000      0.2514000       14.21000 0.3503000       14.70000      0.3608000     -0.4937000      0.5028000
  1 1 1      -1   -3   29 o    4.003000      0.4017000       4.402000 0.5046000       3.604000      0.6251000      0.7971000      0.8034000
  1 1 1      -1   -3   30 o    1.817000      0.5230000       1.675000 0.7122000       1.959000      0.7662000     -0.2842000       1.046000
  1 1 1      -1   -3   31 o    4.774000      0.5601000       4.570000 0.8957000       4.979000      0.6727000     -0.4091000       1.120000
  1 1 1      -1   -3   32 o    3.584000      0.5309000       3.608000 0.7594000       3.560000      0.7421000      0.4835000E-01   1.062000
  1 1 1      -1   -3   33 f    1.920000      0.5743000       2.029000 0.8379000       1.811000      0.7855000      0.2181000       1.149000
  1 1 1      -1   -3   34 o    6.811000      0.4693000       6.029000 0.6917000       7.593000      0.6345000      -1.564000      0.9387000
  1 1 1      -1   -3   35 o    5.566000      0.3728000       5.605000 0.5287000       5.527000      0.5256000      0.7819000E-01  0.7455000
  1 1 1      -1   -3   36 o    4.792000      0.4251000       5.101000 0.5739000       4.483000      0.6274000      0.6181000      0.8503000
  1 1 1      -1   -3   37 o    3.547000      0.5471000       3.090000 0.8550000       4.004000      0.6828000     -0.9138000       1.094000
  1 1 1      -1   -3   38 o    3.016000      0.5780000       2.720000 0.8567000       3.313000      0.7761000     -0.5926000       1.156000
  1 1 1      -1   -2    2 o    48.29000      0.7883000       48.02000 1.283000       48.55000      0.9167000     -0.5304000       1.577000
  1 1 1      -1   -2    3 o    19.27000      0.3191000       19.13000 0.5191000       19.40000      0.3714000     -0.2721000      0.6382000
  1 1 1      -1   -2    4 o    12.88000      0.1803000       12.90000 0.2554000       12.85000      0.2545000      0.5295000E-01  0.3605000
  1 1 1      -1   -2    5 o    5.883000      0.1507000       5.807000 0.2083000       5.958000      0.2179000     -0.1509000      0.3014000
  1 1 1      -1   -2    6 o    9.112000      0.1396000       9.122000 0.1975000       9.102000      0.1974000      0.2053000E-01  0.2792000
  1 1 1      -1   -2    7 o    10.43000      0.1914000       10.67000 0.3156000       10.18000      0.2166000      0.4921000      0.3828000
  1 1 1      -1   -2    8 o    20.07000      0.2758000       20.20000 0.3923000       19.94000      0.3877000      0.2558000      0.5516000
  1 1 1      -1   -2    9 o    5.361000      0.1581000       5.585000 0.1836000       5.137000      0.2576000      0.4477000      0.3163000
  1 1 1      -1   -2   10 o    13.06000      0.1924000       13.39000 0.2775000       12.74000      0.2667000      0.6479000      0.3849000
  1 1 1      -1   -2   11 o    13.66000      0.2015000       13.77000 0.2867000       13.54000      0.2831000      0.2242000      0.4029000
  1 1 1      -1   -2   12 o    25.63000      0.3517000       25.44000 0.4948000       25.82000      0.5000000     -0.3799000      0.7034000
  1 1 1      -1   -2   13 o    8.275000      0.1593000       8.290000 0.2244000       8.259000      0.2260000      0.3091000E-01  0.3185000
  1 1 1      -1   -2   14 o    9.375000      0.2413000       9.226000 0.3458000       9.524000      0.3368000     -0.2979000      0.4827000
  1 1 1      -1   -2   15 o    10.87000      0.1860000       10.87000 0.2626000       10.86000      0.2636000      0.8598000E-02  0.3721000
  1 1 1      -1   -2   16 o    18.05000      0.2620000       18.08000 0.3709000       18.02000      0.3702000      0.5682000E-01  0.5240000
  1 1 1      -1   -2   17 o    6.841000      0.2547000       6.558000 0.3551000       7.124000      0.3653000     -0.5666000      0.5095000
  1 1 1      -1   -2   18 o    14.74000      0.3236000       15.19000 0.4626000       14.28000      0.4526000      0.9125000      0.6472000
  1 1 1      -1   -2   19 o    14.36000      0.2265000       14.49000 0.3224000       14.22000      0.3182000      0.2761000      0.4529000
  1 1 1      -1   -2   20 o    15.15000      0.2390000       14.84000 0.3330000       15.46000      0.3429000     -0.6180000      0.4780000
  1 1 1      -1   -2   21 o    11.07000      0.2066000       11.18000 0.2941000       10.96000      0.2901000      0.2194000      0.4131000
  1 1 1      -1   -2   22 o    4.149000      0.2915000       4.492000 0.3854000       3.806000      0.4374000      0.6855000      0.5830000
  1 1 1      -1   -2   23 o    5.000000      0.2670000       5.454000 0.3548000       4.545000      0.3992000      0.9091000      0.5341000
  1 1 1      -1   -2   24 o    9.635000      0.2158000       9.755000 0.3048000       9.515000      0.3056000      0.2401000      0.4317000
  1 1 1      -1   -2   25 o    13.05000      0.2329000       13.22000 0.3291000       12.89000      0.3297000      0.3252000      0.4659000
  1 1 1      -1   -2   26 o    14.66000      0.2478000       14.72000 0.3494000       14.60000      0.3514000      0.1180000      0.4955000
  1 1 1      -1   -2   27 o    6.176000      0.2602000       5.907000 0.3735000       6.444000      0.3625000     -0.5367000      0.5205000
  1 1 1      -1   -2   28 o    9.339000      0.2332000       9.121000 0.3269000       9.557000      0.3327000     -0.4354000      0.4664000
  1 1 1      -1   -2   29 o    6.593000      0.2731000       6.448000 0.3886000       6.738000      0.3838000     -0.2897000      0.5462000
  1 1 1      -1   -2   30 o    2.290000      0.5332000       2.827000 0.7745000       1.752000      0.7332000       1.074000       1.066000
  1 1 1      -1   -2   31 o    2.469000      0.6665000       2.602000 0.9888000       2.336000      0.8940000      0.2655000       1.333000
  1 1 1      -1   -2   32 o    7.207000      0.3025000       6.699000 0.4510000       7.716000      0.4031000      -1.017000      0.6049000
  1 1 1      -1   -2   33 o    5.310000      0.4051000       5.680000 0.5403000       4.940000      0.6038000      0.7404000      0.8103000
  1 1 1      -1   -2   34 o    2.482000      0.7091000       2.232000 0.9391000       2.733000       1.063000     -0.5013000       1.418000
  1 1 1      -1   -2   35 o    9.517000      0.2750000       9.520000 0.3914000       9.515000      0.3865000      0.4907000E-02  0.5500000
  1 1 1      -1   -2   36 f    4.079000      0.4819000       4.048000 0.6852000       4.110000      0.6779000     -0.6187000E-01  0.9639000
  1 1 1      -1   -2   37 o    2.859000      0.5772000       3.296000 0.7841000       2.423000      0.8473000      0.8735000       1.154000
  1 1 1      -1   -2   38 o    2.249000      0.5773000       2.616000 0.8358000       1.882000      0.7966000      0.7345000       1.155000
  1 1 1      -1   -1    3 o    26.83000      0.4457000       27.59000 0.7413000       26.07000      0.4952000       1.518000      0.8915000
  1 1 1      -1   -1    4 o    4.128000      0.1084000       3.965000 0.1732000       4.292000      0.1303000     -0.3272000      0.2167000
  1 1 1      -1   -1    5 o    18.23000      0.2491000       18.30000 0.3537000       18.15000      0.3508000      0.1533000      0.4982000
  1 1 1      -1   -1    6 o    12.99000      0.1838000       12.85000 0.2572000       13.13000      0.2627000     -0.2833000      0.3677000
  1 1 1      -1   -1    7 o    13.51000      0.1918000       13.64000 0.2740000       13.37000      0.2685000      0.2738000      0.3836000
  1 1 1      -1   -1    8 o    11.37000      0.1683000       11.24000 0.2361000       11.51000      0.2400000     -0.2731000      0.3366000
  1 1 1      -1   -1    9 o    10.16000      0.1580000       10.02000 0.2209000       10.30000      0.2260000     -0.2845000      0.3160000
  1 1 1      -1   -1   10 o    13.20000      0.1938000       12.74000 0.2664000       13.66000      0.2816000     -0.9177000      0.3876000
  1 1 1      -1   -1   11 o    3.532000      0.1724000       3.484000 0.2440000       3.581000      0.2437000     -0.9756000E-01  0.3448000
  1 1 1      -1   -1   12 o    23.84000      0.3281000       24.26000 0.4716000       23.42000      0.4563000      0.8464000      0.6562000
  1 1 1      -1   -1   13 o    7.124000      0.1551000       7.112000 0.2177000       7.136000      0.2210000     -0.2442000E-01  0.3102000
  1 1 1      -1   -1   14 f    9.156000      0.2335000       9.417000 0.3356000       8.895000      0.3246000      0.5217000      0.4669000
  1 1 1      -1   -1   15 o    10.08000      0.1792000       10.04000 0.2501000       10.13000      0.2568000     -0.8695000E-01  0.3585000
  1 1 1      -1   -1   16 f    12.41000      0.2012000       12.21000 0.2814000       12.60000      0.2877000     -0.3992000      0.4025000
  1 1 1      -1   -1   17 o    4.761000      0.2981000       4.273000 0.4388000       5.249000      0.4035000     -0.9766000      0.5962000
  1 1 1      -1   -1   18 o    2.675000      0.4726000       2.364000 0.6766000       2.986000      0.6600000     -0.6223000      0.9452000
  1 1 1      -1   -1   19 o    6.904000      0.1934000       6.790000 0.2675000       7.018000      0.2793000     -0.2284000      0.3867000
  1 1 1      -1   -1   20 o    11.00000      0.2021000       11.08000 0.2875000       10.93000      0.2840000      0.1515000      0.4041000
  1 1 1      -1   -1   21 o    9.494000      0.1974000       9.510000 0.2785000       9.478000      0.2797000      0.3216000E-01  0.3947000
  1 1 1      -1   -1   22 o    9.702000      0.2037000       9.671000 0.2888000       9.733000      0.2873000     -0.6261000E-01  0.4073000
  1 1 1      -1   -1   23 o    1.370000      0.4205000       1.475000 0.6201000       1.265000      0.5680000      0.2095000      0.8409000
  1 1 1      -1   -1   24 o    7.033000      0.2246000       7.103000 0.3161000       6.963000      0.3193000      0.1394000      0.4493000
  1 1 1      -1   -1   25 o    3.708000      0.3502000       3.890000 0.4711000       3.526000      0.5183000      0.3632000      0.7004000
  1 1 1      -1   -1   26 o    8.770000      0.2218000       8.742000 0.3102000       8.798000      0.3171000     -0.5619000E-01  0.4436000
  1 1 1      -1   -1   27 f    4.244000      0.3364000       4.502000 0.4381000       3.986000      0.5106000      0.5165000      0.6728000
  1 1 1      -1   -1   28 o    5.104000      0.2993000       5.009000 0.4199000       5.200000      0.4266000     -0.1914000      0.5986000
  1 1 1      -1   -1   29 o    8.879000      0.2434000       8.690000 0.3396000       9.068000      0.3487000     -0.3779000      0.4867000
  1 1 1      -1   -1   30 o    3.849000      0.5534000       4.034000 0.7771000       3.663000      0.7880000      0.3709000       1.107000
  1 1 1      -1   -1   31 o    5.897000      0.4293000       6.135000 0.6424000       5.658000      0.5696000      0.4767000      0.8585000
  1 1 1      -1   -1   32 o    3.730000      0.4785000       3.583000 0.7338000       3.876000      0.6143000     -0.2935000      0.9570000
  1 1 1      -1   -1   33 o    11.67000      0.3785000       11.57000 0.5080000       11.76000      0.5612000     -0.1861000      0.7570000
  1 1 1      -1   -1   34 o    10.56000      0.3999000       11.17000 0.5235000       9.946000      0.6046000       1.222000      0.7997000
  1 1 1      -1   -1   35 o    8.670000      0.2822000       8.688000 0.4036000       8.653000      0.3945000      0.3470000E-01  0.5643000
  1 1 1      -1   -1   36 o    3.974000      0.4906000       4.041000 0.6768000       3.906000      0.7105000      0.1349000      0.9813000
  1 1 1      -1   -1   37 o    2.688000      0.6025000       2.700000 0.8642000       2.676000      0.8398000      0.2388000E-01   1.205000
  1 1 1      -1   -1   38 o    3.129000      0.5460000       2.453000 0.8203000       3.804000      0.7208000      -1.351000       1.092000
  1 1 1      -1    0    3 o    36.60000      0.5986000       36.33000 0.9730000       36.86000      0.6977000     -0.5301000       1.197000
  1 1 1      -1    0    4 o    34.85000      0.4670000       35.29000 0.6686000       34.42000      0.6521000      0.8727000      0.9340000
  1 1 1      -1    0    5 o    22.22000      0.3014000       22.09000 0.4243000       22.35000      0.4280000     -0.2582000      0.6027000
  1 1 1      -1    0    6 o    12.21000      0.1750000       12.00000 0.2437000       12.42000      0.2513000     -0.4177000      0.3500000
  1 1 1      -1    0    7 o    11.86000      0.1722000       11.81000 0.2427000       11.91000      0.2443000     -0.1042000      0.3444000
  1 1 1      -1    0    8 o    28.74000      0.3886000       28.45000 0.5438000       29.04000      0.5552000     -0.5849000      0.7771000
  1 1 1      -1    0    9 o    14.14000      0.2031000       14.13000 0.2868000       14.16000      0.2876000     -0.2277000E-01  0.4061000
  1 1 1      -1    0   10 o    19.75000      0.2742000       19.55000 0.3843000       19.96000      0.3912000     -0.4043000      0.5483000
  1 1 1      -1    0   11 o    4.851000      0.1476000       4.836000 0.2086000       4.866000      0.2089000     -0.3002000E-01  0.2952000
  1 1 1      -1    0   12 o    8.792000      0.1565000       8.506000 0.2181000       9.079000      0.2246000     -0.5723000      0.3130000
  1 1 1      -1    0   13 o    11.30000      0.1823000       11.15000 0.2543000       11.45000      0.2613000     -0.3091000      0.3646000
  1 1 1      -1    0   14 o    16.75000      0.3424000       16.60000 0.4807000       16.90000      0.4877000     -0.3072000      0.6848000
  1 1 1      -1    0   15 o    12.99000      0.2436000       13.48000 0.2944000       12.51000      0.3883000      0.9716000      0.4873000
  1 1 1      -1    0   16 o    9.932000      0.1816000       9.932000 0.2570000       9.933000      0.2567000     -0.9718000E-03  0.3632000
  1 1 1      -1    0   17 o    3.359000      0.3732000       3.485000 0.4567000       3.234000      0.5905000      0.2501000      0.7465000
  1 1 1      -1    0   18 o    7.448000      0.1831000       7.384000 0.2606000       7.512000      0.2574000     -0.1273000      0.3662000
  1 1 1      -1    0   19 o    9.279000      0.1872000       9.168000 0.2673000       9.390000      0.2622000     -0.2217000      0.3744000
  1 1 1      -1    0   20 o    7.786000      0.1943000       7.819000 0.2761000       7.754000      0.2736000      0.6473000E-01  0.3887000
  1 1 1      -1    0   21 o    9.498000      0.1971000       9.477000 0.2759000       9.519000      0.2815000     -0.4238000E-01  0.3942000
  1 1 1      -1    0   22 o    10.51000      0.2051000       10.64000 0.2935000       10.37000      0.2865000      0.2661000      0.4102000
  1 1 1      -1    0   23 o    6.314000      0.2228000       6.132000 0.3187000       6.496000      0.3114000     -0.3640000      0.4456000
  1 1 1      -1    0   24 o    7.698000      0.2159000       7.531000 0.3013000       7.865000      0.3094000     -0.3347000      0.4319000
  1 1 1      -1    0   25 f    11.63000      0.2199000       11.63000 0.3112000       11.64000      0.3107000     -0.1485000E-01  0.4397000
  1 1 1      -1    0   26 o    3.563000      0.3793000       3.759000 0.5113000       3.367000      0.5604000      0.3917000      0.7586000
  1 1 1      -1    0   27 o    5.360000      0.2779000       5.155000 0.4021000       5.566000      0.3837000     -0.4115000      0.5558000
  1 1 1      -1    0   28 o    12.27000      0.2363000       12.20000 0.3314000       12.34000      0.3369000     -0.1382000      0.4726000
  1 1 1      -1    0   29 o    9.164000      0.2394000       9.337000 0.3384000       8.991000      0.3388000      0.3460000      0.4788000
  1 1 1      -1    0   30 o    1.922000      0.5837000       2.193000 0.8974000       1.651000      0.7467000      0.5424000       1.167000
  1 1 1      -1    0   31 o    7.730000      0.2602000       7.664000 0.3675000       7.795000      0.3685000     -0.1305000      0.5205000
  1 1 1      -1    0   32 o    2.025000      0.5550000       2.160000 0.8098000       1.890000      0.7592000      0.2696000       1.110000
  1 1 1      -1    0   33 o    12.09000      0.3837000       11.60000 0.5190000       12.58000      0.5652000     -0.9862000      0.7674000
  1 1 1      -1    0   34 o    5.123000      0.5461000       5.416000 0.5571000       4.830000      0.9394000      0.5861000       1.092000
  1 1 1      -1    0   35 o    3.446000      0.5433000       3.799000 0.7144000       3.094000      0.8187000      0.7045000       1.087000
  1 1 1      -1    0   36 o    3.696000      0.5047000       4.119000 0.6909000       3.273000      0.7359000      0.8460000       1.009000
  1 1 1      -1    0   37 o    3.523000      0.5278000       3.257000 0.8110000       3.790000      0.6758000     -0.5330000       1.056000
  1 1 1      -1    0   38 o    4.771000      0.4136000       4.660000 0.6034000       4.883000      0.5659000     -0.2228000      0.8273000
  1 1 1      -1    1    2 o    28.74000      0.4696000       28.30000 0.7592000       29.17000      0.5529000     -0.8626000      0.9392000
  1 1 1      -1    1    3 f    15.99000      0.2190000       15.76000 0.3056000       16.22000      0.3136000     -0.4648000      0.4379000
  1 1 1      -1    1    4 o    5.244000      0.9655000E-01   5.180000 0.1356000       5.308000      0.1375000     -0.1276000      0.1931000
  1 1 1      -1    1    5 o    10.43000      0.1515000       10.48000 0.2149000       10.39000      0.2135000      0.8454000E-01  0.3029000
  1 1 1      -1    1    6 o    15.87000      0.2204000       16.09000 0.3154000       15.65000      0.3079000      0.4397000      0.4408000
  1 1 1      -1    1    7 o    28.03000      0.3786000       27.81000 0.5314000       28.25000      0.5393000     -0.4360000      0.7571000
  1 1 1      -1    1    8 o    6.749000      0.1246000       6.569000 0.1739000       6.929000      0.1785000     -0.3595000      0.2492000
  1 1 1      -1    1    9 o    8.125000      0.1392000       8.086000 0.1953000       8.165000      0.1985000     -0.7915000E-01  0.2784000
  1 1 1      -1    1   10 o    18.36000      0.2566000       18.34000 0.3622000       18.37000      0.3635000     -0.3205000E-01  0.5131000
  1 1 1      -1    1   11 o    23.04000      0.3172000       22.61000 0.4408000       23.47000      0.4564000     -0.8619000      0.6345000
  1 1 1      -1    1   12 o    4.444000      0.1595000       4.376000 0.2316000       4.511000      0.2194000     -0.1349000      0.3190000
  1 1 1      -1    1   13 o    10.28000      0.2407000       10.55000 0.3477000       9.999000      0.3330000      0.5542000      0.4815000
  1 1 1      -1    1   14 o    21.09000      0.2951000       21.16000 0.4181000       21.01000      0.4165000      0.1483000      0.5902000
  1 1 1      -1    1   15 o    24.63000      0.4832000       24.63000 0.4832000                  ?              ?              ?              ?
  1 1 1      -1    1   16 o    12.55000      0.2869000       12.68000 0.4032000       12.42000      0.4083000      0.2551000      0.5738000
  1 1 1      -1    1   17 o    1.917000      0.7037000                  ?       ?   1.917000      0.7037000                  ?              ?
  1 1 1      -1    1   18 o    5.939000      0.1902000       5.627000 0.2764000       6.251000      0.2613000     -0.6239000      0.3803000
  1 1 1      -1    1   19 o    6.156000      0.1946000       6.210000 0.2751000       6.102000      0.2753000      0.1080000      0.3892000
  1 1 1      -1    1   20 o    6.496000      0.1983000       6.485000 0.2787000       6.508000      0.2822000     -0.2339000E-01  0.3966000
  1 1 1      -1    1   21 o    12.09000      0.2121000       11.95000 0.2973000       12.23000      0.3026000     -0.2851000      0.4242000
  1 1 1      -1    1   22 o    6.940000      0.2070000       7.031000 0.2934000       6.849000      0.2921000      0.1826000      0.4140000
  1 1 1      -1    1   23 o    3.092000      0.3665000       2.697000 0.5859000       3.486000      0.4407000     -0.7888000      0.7331000
  1 1 1      -1    1   24 o    12.20000      0.2227000       12.11000 0.3147000       12.28000      0.3153000     -0.1701000      0.4455000
  1 1 1      -1    1   25 o    3.063000      0.4105000       2.871000 0.6147000       3.254000      0.5442000     -0.3825000      0.8210000
  1 1 1      -1    1   26 o    3.019000      0.4194000       3.964000 0.4981000       2.075000      0.6750000       1.889000      0.8389000
  1 1 1      -1    1   27 o    5.466000      0.2800000       5.374000 0.4014000       5.558000      0.3904000     -0.1842000      0.5599000
  1 1 1      -1    1   28 o    9.441000      0.2292000       9.411000 0.3252000       9.472000      0.3231000     -0.6086000E-01  0.4584000
  1 1 1      -1    1   29 o    5.338000      0.3085000       5.051000 0.4528000       5.626000      0.4192000     -0.5747000      0.6171000
  1 1 1      -1    1   30 o    4.609000      0.4960000       3.948000 0.8361000       5.271000      0.5340000      -1.323000      0.9921000
  1 1 1      -1    1   31 o    9.543000      0.2523000       9.298000 0.3600000       9.788000      0.3537000     -0.4896000      0.5047000
  1 1 1      -1    1   32 o    4.959000      0.3633000       4.937000 0.5225000       4.980000      0.5050000     -0.4315000E-01  0.7266000
  1 1 1      -1    1   33 o    3.363000      0.6926000       2.466000 0.9633000       4.260000      0.9953000      -1.794000       1.385000
  1 1 1      -1    1   34 o    2.797000      0.5631000       3.192000 0.7750000       2.402000      0.8172000      0.7899000       1.126000
  1 1 1      -1    1   35 o    3.839000      0.4971000       3.737000 0.7206000       3.940000      0.6851000     -0.2032000      0.9943000
  1 1 1      -1    1   36 o    2.763000      0.5945000       2.914000 0.8380000       2.611000      0.8434000      0.3025000       1.189000
  1 1 1      -1    1   37 o    5.910000      0.3421000       5.976000 0.4971000       5.844000      0.4700000      0.1325000      0.6841000
  1 1 1      -1    1   38 o    2.768000      0.5770000       2.276000 0.8398000       3.261000      0.7914000     -0.9850000       1.154000
  1 1 1      -1    2    1 o    13.44000      0.1839000       13.35000 0.2586000       13.53000      0.2615000     -0.1800000      0.3677000
  1 1 1      -1    2    2 o    7.431000      0.1127000       7.464000 0.1597000       7.397000      0.1590000      0.6733000E-01  0.2253000
  1 1 1      -1    2    3 o    8.991000      0.1331000       8.965000 0.1886000       9.018000      0.1878000     -0.5306000E-01  0.2661000
  1 1 1      -1    2    4 o    27.35000      0.3684000       27.17000 0.5179000       27.52000      0.5241000     -0.3470000      0.7368000
  1 1 1      -1    2    5 o    27.99000      0.3776000       28.05000 0.5349000       27.93000      0.5332000      0.1151000      0.7552000
  1 1 1      -1    2    6 o    17.69000      0.2969000       17.16000 0.4743000       18.22000      0.3571000      -1.061000      0.5937000
  1 1 1      -1    2    7 o    11.87000      0.2147000       11.59000 0.2406000       12.15000      0.3558000     -0.5576000      0.4295000
  1 1 1      -1    2    8 o    17.97000      0.3062000       18.08000 0.3555000       17.86000      0.4986000      0.2228000      0.6123000
  1 1 1      -1    2    9 o    16.85000      0.2375000       16.66000 0.3312000       17.05000      0.3406000     -0.3980000      0.4751000
  1 1 1      -1    2   10 o    13.81000      0.2021000       13.80000 0.2852000       13.81000      0.2865000     -0.1177000E-01  0.4042000
  1 1 1      -1    2   11 o    15.09000      0.2186000       15.25000 0.3113000       14.94000      0.3069000      0.3118000      0.4371000
  1 1 1      -1    2   12 o    11.05000      0.2483000       10.90000 0.3499000       11.20000      0.3523000     -0.3031000      0.4965000
  1 1 1      -1    2   13 o    6.671000      0.2117000       6.804000 0.3029000       6.538000      0.2957000      0.2665000      0.4234000
  1 1 1      -1    2   14 o    9.004000      0.1662000       8.729000 0.2307000       9.280000      0.2393000     -0.5504000      0.3324000
  1 1 1      -1    2   15 o    5.592000      0.2355000       6.032000 0.3216000       5.152000      0.3442000      0.8803000      0.4711000
  1 1 1      -1    2   16 o    9.309000      0.2518000       9.195000 0.3450000       9.423000      0.3668000     -0.2274000      0.5036000
  1 1 1      -1    2   17 o    15.87000      0.3393000                  ?       ?   15.87000      0.3393000                  ?              ?
  1 1 1      -1    2   18 o    7.458000      0.1836000       7.438000 0.2612000       7.477000      0.2581000     -0.3920000E-01  0.3673000
  1 1 1      -1    2   19 o    4.579000      0.2240000       4.853000 0.3073000       4.305000      0.3259000      0.5479000      0.4479000
  1 1 1      -1    2   20 o    6.094000      0.2010000       5.897000 0.2846000       6.292000      0.2839000     -0.3950000      0.4020000
  1 1 1      -1    2   21 o    9.671000      0.1977000       9.514000 0.2798000       9.829000      0.2794000     -0.3144000      0.3955000
  1 1 1      -1    2   22 o    7.292000      0.2017000       7.396000 0.2876000       7.187000      0.2828000      0.2090000      0.4033000
  1 1 1      -1    2   23 o    4.116000      0.2865000       4.022000 0.4294000       4.210000      0.3795000     -0.1876000      0.5731000
  1 1 1      -1    2   24 o    13.86000      0.2349000       14.25000 0.3371000       13.47000      0.3272000      0.7766000      0.4698000
  1 1 1      -1    2   25 o    6.075000      0.2406000       6.264000 0.3375000       5.886000      0.3429000      0.3783000      0.4811000
  1 1 1      -1    2   26 o    5.785000      0.2491000       6.094000 0.3455000       5.476000      0.3590000      0.6173000      0.4982000
  1 1 1      -1    2   27 o    8.578000      0.2251000       8.210000 0.3237000       8.945000      0.3129000     -0.7350000      0.4502000
  1 1 1      -1    2   28 o    5.012000      0.3052000       4.759000 0.4402000       5.264000      0.4228000     -0.5057000      0.6104000
  1 1 1      -1    2   29 o    4.125000      0.4883000       4.015000 0.7551000       4.234000      0.6194000     -0.2194000      0.9766000
  1 1 1      -1    2   30 o    4.445000      0.4033000       5.018000 0.6239000       3.871000      0.5112000       1.147000      0.8066000
  1 1 1      -1    2   31 o    3.778000      0.4304000       3.330000 0.6964000       4.225000      0.5060000     -0.8950000      0.8608000
  1 1 1      -1    2   32 f    3.981000      0.6450000       3.629000 0.9240000       4.332000      0.9001000     -0.7029000       1.290000
  1 1 1      -1    2   33 o    2.286000      0.6817000       2.074000 0.9050000       2.498000       1.020000     -0.4240000       1.363000
  1 1 1      -1    2   34 o    2.036000      0.5680000       1.829000 0.7752000       2.243000      0.8305000     -0.4140000       1.136000
  1 1 1      -1    2   35 o    4.261000      0.4618000       4.627000 0.6197000       3.895000      0.6850000      0.7321000      0.9237000
  1 1 1      -1    2   36 o    3.870000      0.4821000       3.342000 0.7630000       4.397000      0.5896000      -1.055000      0.9643000
  1 1 1      -1    2   37 o    6.758000      0.3142000       6.459000 0.4631000       7.057000      0.4247000     -0.5978000      0.6283000
  1 1 1      -1    2   38 o    1.853000      0.5486000       1.729000 0.7671000       1.978000      0.7845000     -0.2496000       1.097000
  1 1 1      -1    3    1 o    26.03000      0.3494000       25.84000 0.4902000       26.22000      0.4980000     -0.3811000      0.6988000
  1 1 1      -1    3    2 o    5.502000      0.9707000E-01   5.592000 0.1388000       5.412000      0.1358000      0.1799000      0.1941000
  1 1 1      -1    3    3 o    26.89000      0.3620000       26.83000 0.5111000       26.95000      0.5128000     -0.1148000      0.7240000
  1 1 1      -1    3    4 o    38.48000      0.5161000       38.42000 0.7292000       38.54000      0.7305000     -0.1211000       1.032000
  1 1 1      -1    3    5 o    10.95000      0.1620000       10.95000 0.2293000       10.95000      0.2288000     -0.6408000E-02  0.3239000
  1 1 1      -1    3    6 o    32.46000      0.4371000       32.55000 0.6199000       32.36000      0.6163000      0.1902000      0.8741000
  1 1 1      -1    3    7 o    8.848000      0.1452000       8.852000 0.2057000       8.845000      0.2051000      0.6875000E-02  0.2904000
  1 1 1      -1    3    8 o    11.60000      0.2153000       11.21000 0.3469000       12.00000      0.2550000     -0.7902000      0.4305000
  1 1 1      -1    3    9 o    9.416000      0.1572000       9.442000 0.2224000       9.390000      0.2223000      0.5135000E-01  0.3145000
  1 1 1      -1    3   10 o    10.46000      0.1681000       10.16000 0.2298000       10.76000      0.2453000     -0.5992000      0.3362000
  1 1 1      -1    3   11 o    4.799000      0.2268000       5.024000 0.2980000       4.573000      0.3420000      0.4510000      0.4536000
  1 1 1      -1    3   12 o    10.12000      0.2424000       10.17000 0.3386000       10.08000      0.3468000      0.8918000E-01  0.4847000
  1 1 1      -1    3   13 o    11.83000      0.1903000       12.04000 0.2678000       11.61000      0.2704000      0.4354000      0.3806000
  1 1 1      -1    3   14 o    9.151000      0.1713000       9.023000 0.2334000       9.279000      0.2508000     -0.2561000      0.3426000
  1 1 1      -1    3   15 f    8.259000      0.2421000       8.014000 0.3347000       8.503000      0.3498000     -0.4898000      0.4841000
  1 1 1      -1    3   16 o    4.630000      0.2536000       4.388000 0.2854000       4.872000      0.4192000     -0.4835000      0.5072000
  1 1 1      -1    3   17 f    11.03000      0.1921000       11.07000 0.2726000       10.99000      0.2708000      0.7674000E-01  0.3842000
  1 1 1      -1    3   18 f    18.67000      0.2727000       18.65000 0.3853000       18.69000      0.3861000     -0.3597000E-01  0.5455000
  1 1 1      -1    3   19 o    4.742000      0.2163000       4.729000 0.3072000       4.754000      0.3045000     -0.2475000E-01  0.4325000
  1 1 1      -1    3   20 o    4.021000      0.2545000       4.269000 0.3578000       3.774000      0.3620000      0.4951000      0.5090000
  1 1 1      -1    3   21 o    7.527000      0.1978000       7.514000 0.2768000       7.539000      0.2826000     -0.2489000E-01  0.3956000
  1 1 1      -1    3   22 o    7.810000      0.2017000       7.855000 0.2849000       7.764000      0.2856000      0.9130000E-01  0.4034000
  1 1 1      -1    3   23 o    5.217000      0.2382000       5.557000 0.3309000       4.877000      0.3428000      0.6802000      0.4764000
  1 1 1      -1    3   24 o    5.212000      0.2467000       5.311000 0.3539000       5.112000      0.3436000      0.1995000      0.4933000
  1 1 1      -1    3   25 o    7.566000      0.2187000       7.158000 0.3153000       7.975000      0.3032000     -0.8171000      0.4374000
  1 1 1      -1    3   26 o    8.714000      0.2173000       8.836000 0.3105000       8.592000      0.3040000      0.2440000      0.4346000
  1 1 1      -1    3   27 o    5.252000      0.2767000       4.895000 0.4135000       5.610000      0.3679000     -0.7155000      0.5535000
  1 1 1      -1    3   28 o    2.027000      0.5567000       2.075000 0.8043000       1.980000      0.7700000      0.9531000E-01   1.113000
  1 1 1      -1    3   29 o    8.435000      0.3221000       8.534000 0.4755000       8.336000      0.4346000      0.1976000      0.6441000
  1 1 1      -1    3   30 o    9.391000      0.2417000       9.099000 0.3469000       9.682000      0.3367000     -0.5834000      0.4834000
  1 1 1      -1    3   31 o    7.785000      0.3294000       7.986000 0.5680000       7.585000      0.3339000      0.4013000      0.6589000
  1 1 1      -1    3   32 o    4.345000      0.6397000       4.989000 0.7672000       3.700000       1.024000       1.288000       1.279000
  1 1 1      -1    3   33 o    6.574000      0.3205000       6.478000 0.4439000       6.670000      0.4623000     -0.1917000      0.6409000
  1 1 1      -1    3   34 o    3.378000      0.5373000       2.907000 0.8475000       3.848000      0.6606000     -0.9405000       1.075000
  1 1 1      -1    3   35 o    1.709000      0.5251000       1.713000 0.7433000       1.706000      0.7419000      0.6909000E-02   1.050000
  1 1 1      -1    3   36 o    3.814000      0.4800000       3.597000 0.7157000       4.031000      0.6399000     -0.4338000      0.9600000
  1 1 1      -1    3   37 o    4.845000      0.3961000       4.991000 0.5514000       4.700000      0.5688000      0.2907000      0.7922000
  1 1 1      -1    3   38 o    2.472000      0.5756000       3.004000 0.8377000       1.940000      0.7896000       1.064000       1.151000
  1 1 1      -1    4    1 o    9.308000      0.1379000       9.506000 0.1988000       9.110000      0.1911000      0.3966000      0.2758000
  1 1 1      -1    4    2 o    17.54000      0.2394000       17.68000 0.3415000       17.39000      0.3355000      0.2906000      0.4788000
  1 1 1      -1    4    3 o    10.27000      0.1499000       10.29000 0.2124000       10.24000      0.2115000      0.4584000E-01  0.2997000
  1 1 1      -1    4    4 o    15.99000      0.2218000       15.95000 0.3132000       16.03000      0.3141000     -0.7579000E-01  0.4436000
  1 1 1      -1    4    5 o    21.46000      0.2932000       21.18000 0.4095000       21.74000      0.4196000     -0.5601000      0.5864000
  1 1 1      -1    4    6 o    11.14000      0.1678000       11.00000 0.2347000       11.29000      0.2398000     -0.2841000      0.3355000
  1 1 1      -1    4    7 o    14.04000      0.2027000       14.04000 0.2867000       14.04000      0.2867000     -0.5399000E-02  0.4054000
  1 1 1      -1    4    8 o    24.35000      0.3333000       24.33000 0.4710000       24.37000      0.4717000     -0.3719000E-01  0.6666000
  1 1 1      -1    4    9 f    10.00000      0.1639000       10.08000 0.2324000       9.925000      0.2313000      0.1543000      0.3279000
  1 1 1      -1    4   10 o    6.328000      0.2085000       6.333000 0.2837000       6.323000      0.3055000      0.1050000E-01  0.4169000
  1 1 1      -1    4   11 o    10.05000      0.2390000       10.34000 0.3372000       9.760000      0.3389000      0.5830000      0.4781000
  1 1 1      -1    4   12 o    12.39000      0.2798000       12.36000 0.3984000       12.41000      0.3929000     -0.4861000E-01  0.5595000
  1 1 1      -1    4   13 o    14.45000      0.3077000       14.17000 0.4270000       14.73000      0.4432000     -0.5531000      0.6154000
  1 1 1      -1    4   14 o    3.483000      0.3220000       3.883000 0.4008000       3.083000      0.5040000      0.7999000      0.6440000
  1 1 1      -1    4   15 o    4.945000      0.1967000       5.058000 0.2594000       4.831000      0.2957000      0.2275000      0.3934000
  1 1 1      -1    4   16 o    3.144000      0.2896000       2.691000 0.4289000       3.597000      0.3893000     -0.9061000      0.5792000
  1 1 1      -1    4   17 o    9.389000      0.1872000       8.911000 0.2559000       9.867000      0.2735000     -0.9554000      0.3745000
  1 1 1      -1    4   18 o    19.21000      0.2816000       19.58000 0.4019000       18.84000      0.3947000      0.7395000      0.5633000
  1 1 1      -1    4   19 o    1.183000      0.3705000       1.293000 0.5429000       1.072000      0.5044000      0.2211000      0.7410000
  1 1 1      -1    4   20 o    10.28000      0.2014000       10.29000 0.2760000       10.28000      0.2935000      0.1157000E-01  0.4029000
  1 1 1      -1    4   21 o    8.310000      0.2019000       8.290000 0.2730000       8.330000      0.2975000     -0.4023000E-01  0.4038000
  1 1 1      -1    4   22 o    10.01000      0.2101000       10.34000 0.2920000       9.673000      0.3021000      0.6699000      0.4201000
  1 1 1      -1    4   23 o    9.346000      0.2122000       9.493000 0.2957000       9.199000      0.3046000      0.2941000      0.4245000
  1 1 1      -1    4   24 o    7.249000      0.2280000       6.993000 0.3145000       7.505000      0.3303000     -0.5115000      0.4561000
  1 1 1      -1    4   25 o    5.844000      0.2625000       5.374000 0.3651000       6.313000      0.3774000     -0.9392000      0.5251000
  1 1 1      -1    4   26 o    7.964000      0.2316000       7.646000 0.3140000       8.283000      0.3406000     -0.6363000      0.4633000
  1 1 1      -1    4   27 o    5.426000      0.2849000       5.309000 0.3785000       5.543000      0.4260000     -0.2344000      0.5698000
  1 1 1      -1    4   29 o    4.899000      0.3482000       4.343000 0.5075000       5.456000      0.4768000      -1.112000      0.6963000
  1 1 1      -1    4   30 o    10.60000      0.2599000       10.75000 0.3469000       10.45000      0.3871000      0.2948000      0.5198000
  1 1 1      -1    4   31 f    7.385000      0.4040000       7.104000 0.5605000       7.666000      0.5819000     -0.5623000      0.8080000
  1 1 1      -1    4   32 o    3.742000      0.5581000       4.171000 0.6503000       3.312000      0.9071000      0.8582000       1.116000
  1 1 1      -1    4   33 o    7.926000      0.3110000       7.789000 0.4108000       8.063000      0.4670000     -0.2740000      0.6220000
  1 1 1      -1    4   34 o    4.988000      0.4349000       4.438000 0.6015000       5.539000      0.6284000      -1.100000      0.8698000
  1 1 1      -1    4   35 f    3.502000      0.5832000       3.123000 0.7808000       3.881000      0.8664000     -0.7585000       1.166000
  1 1 1      -1    4   36 o    1.478000      0.4885000       1.291000 0.6221000       1.665000      0.7535000     -0.3737000      0.9771000
  1 1 1      -1    4   37 o    3.051000      0.5855000       3.249000 0.8026000       2.854000      0.8526000      0.3952000       1.171000
  1 1 1      -1    4   38 o    2.387000      0.9927000                  ?       ?   2.387000      0.9927000                  ?              ?
  1 1 1      -1    5    1 o    10.80000      0.2002000       10.47000 0.2264000       11.13000      0.3303000     -0.6601000      0.4004000
  1 1 1      -1    5    2 o    15.46000      0.2144000       15.85000 0.3103000       15.07000      0.2959000      0.7792000      0.4288000
  1 1 1      -1    5    3 o    25.32000      0.3419000       25.41000 0.4854000       25.23000      0.4816000      0.1865000      0.6838000
  1 1 1      -1    5    4 o    16.16000      0.2243000       16.04000 0.3151000       16.28000      0.3192000     -0.2419000      0.4485000
  1 1 1      -1    5    5 o    31.04000      0.4182000       30.79000 0.5869000       31.28000      0.5960000     -0.4893000      0.8365000
  1 1 1      -1    5    6 o    26.98000      0.3658000       26.89000 0.5157000       27.07000      0.5189000     -0.1841000      0.7316000
  1 1 1      -1    5    7 o    16.22000      0.2300000       16.31000 0.3262000       16.13000      0.3242000      0.1722000      0.4599000
  1 1 1      -1    5    8 o    10.08000      0.2291000       9.960000 0.3188000       10.20000      0.3290000     -0.2422000      0.4581000
  1 1 1      -1    5    9 o    5.882000      0.2023000       6.057000 0.2789000       5.707000      0.2931000      0.3492000      0.4045000
  1 1 1      -1    5   10 f    13.80000      0.2067000       13.84000 0.2933000       13.75000      0.2913000      0.9119000E-01  0.4134000
  1 1 1      -1    5   11 o    22.26000      0.3100000       22.25000 0.4382000       22.27000      0.4386000     -0.2056000E-01  0.6200000
  1 1 1      -1    5   12 o    22.37000      0.4435000       22.41000 0.6302000       22.34000      0.6243000      0.6912000E-01  0.8870000
  1 1 1      -1    5   13 o    2.640000      0.4213000       2.846000 0.6057000       2.434000      0.5859000      0.4126000      0.8427000
  1 1 1      -1    5   14 o    5.027000      0.1965000       4.840000 0.2830000       5.214000      0.2726000     -0.3745000      0.3930000
  1 1 1      -1    5   15 o    4.850000      0.2406000       4.956000 0.3827000       4.744000      0.2918000      0.2125000      0.4813000
  1 1 1      -1    5   16 o    6.111000      0.2436000       6.111000 0.2436000                  ?              ?              ?              ?
  1 1 1      -1    5   17 o    12.22000      0.2062000       12.17000 0.2853000       12.27000      0.2977000     -0.1022000      0.4123000
  1 1 1      -1    5   18 o    11.41000      0.2936000                  ?       ?   11.41000      0.2936000                  ?              ?
  1 1 1      -1    5   19 o    8.665000      0.1952000       8.479000 0.2660000       8.851000      0.2859000     -0.3717000      0.3905000
  1 1 1      -1    5   20 o    14.07000      0.2294000       14.06000 0.3199000       14.08000      0.3289000     -0.1445000E-01  0.4588000
  1 1 1      -1    5   21 o    10.53000      0.2068000       10.34000 0.2835000       10.71000      0.3011000     -0.3712000      0.4136000
  1 1 1      -1    5   22 o    8.186000      0.2102000       7.896000 0.2869000       8.475000      0.3073000     -0.5790000      0.4204000
  1 1 1      -1    5   23 o    8.242000      0.2170000       7.949000 0.2988000       8.535000      0.3147000     -0.5855000      0.4339000
  1 1 1      -1    5   24 o    6.889000      0.2322000       7.011000 0.3100000       6.766000      0.3457000      0.2446000      0.4643000
  1 1 1      -1    5   25 o    5.698000      0.2685000       5.390000 0.3754000       6.006000      0.3839000     -0.6162000      0.5369000
  1 1 1      -1    5   26 o    3.905000      0.3633000       3.837000 0.4860000       3.973000      0.5402000     -0.1360000      0.7266000
  1 1 1      -1    5   27 o    8.899000      0.3504000       9.156000 0.4469000       8.642000      0.5399000      0.5142000      0.7009000
  1 1 1      -1    5   28 o    6.540000      0.2786000       6.615000 0.3616000       6.466000      0.4241000      0.1495000      0.5573000
  1 1 1      -1    5   29 o    3.311000      0.4865000       2.952000 0.6768000       3.670000      0.6992000     -0.7182000      0.9731000
  1 1 1      -1    5   30 o    4.089000      0.5932000       3.871000 0.9000000       4.306000      0.7729000     -0.4351000       1.186000
  1 1 1      -1    5   31 o    2.463000      0.5791000       2.891000 0.8088000       2.035000      0.8291000      0.8558000       1.158000
  1 1 1      -1    5   32 o    3.162000      0.5814000       3.171000 0.7673000       3.154000      0.8737000      0.1715000E-01   1.163000
  1 1 1      -1    5   33 o    5.194000      0.4233000       5.424000 0.5010000       4.965000      0.6824000      0.4594000      0.8466000
  1 1 1      -1    5   34 f    5.683000      0.3872000       5.872000 0.4747000       5.494000      0.6119000      0.3786000      0.7745000
  1 1 1      -1    5   35 o    2.741000      0.6160000       2.588000 0.8376000       2.894000      0.9035000     -0.3066000       1.232000
  1 1 1      -1    5   36 o    1.531000      0.5003000       1.461000 0.6831000       1.601000      0.7312000     -0.1402000       1.001000
  1 1 1      -1    5   37 o    1.791000      0.5424000       1.670000 0.7382000       1.912000      0.7950000     -0.2417000       1.085000
  1 1 1      -1    6    1 o    25.82000      0.3524000       26.51000 0.5121000       25.13000      0.4843000       1.383000      0.7048000
  1 1 1      -1    6    2 o    6.713000      0.1258000       6.897000 0.1812000       6.529000      0.1746000      0.3682000      0.2516000
  1 1 1      -1    6    3 o    14.98000      0.2099000       15.13000 0.3001000       14.82000      0.2936000      0.3088000      0.4198000
  1 1 1      -1    6    4 o    28.43000      0.3839000       28.55000 0.5448000       28.30000      0.5411000      0.2513000      0.7679000
  1 1 1      -1    6    5 o    10.81000      0.1628000       10.86000 0.2309000       10.77000      0.2294000      0.8813000E-01  0.3255000
  1 1 1      -1    6    6 o    16.16000      0.3205000       15.89000 0.4458000       16.43000      0.4606000     -0.5411000      0.6410000
  1 1 1      -1    6    7 o    22.68000      0.4392000       23.00000 0.6289000       22.37000      0.6131000      0.6322000      0.8783000
  1 1 1      -1    6    8 o    5.680000      0.1851000       5.983000 0.3095000       5.377000      0.2030000      0.6061000      0.3702000
  1 1 1      -1    6    9 o    7.090000      0.1488000       7.109000 0.2105000       7.072000      0.2104000      0.3727000E-01  0.2976000
  1 1 1      -1    6   10 o    7.691000      0.2255000       7.308000 0.3213000       8.075000      0.3165000     -0.7666000      0.4510000
  1 1 1      -1    6   11 o    12.36000      0.2775000       11.95000 0.3886000       12.77000      0.3964000     -0.8169000      0.5551000
  1 1 1      -1    6   12 o    9.658000      0.1763000       9.410000 0.2460000       9.907000      0.2525000     -0.4972000      0.3526000
  1 1 1      -1    6   13 o    5.750000      0.1778000       5.869000 0.2488000       5.631000      0.2542000      0.2382000      0.3557000
  1 1 1      -1    6   14 o    13.48000      0.2118000       13.53000 0.2998000       13.42000      0.2991000      0.1053000      0.4235000
  1 1 1      -1    6   15 o    5.692000      0.1930000       5.823000 0.2658000       5.562000      0.2798000      0.2610000      0.3859000
  1 1 1      -1    6   16 o    3.986000      0.3465000       3.986000 0.3465000                  ?              ?              ?              ?
  1 1 1      -1    6   17 o    16.41000      0.2496000       16.24000 0.3503000       16.58000      0.3557000     -0.3354000      0.4992000
  1 1 1      -1    6   18 o    14.76000      0.3317000                  ?       ?   14.76000      0.3317000                  ?              ?
  1 1 1      -1    6   19 o    1.728000      0.4044000       1.157000 0.5177000       2.300000      0.6213000      -1.143000      0.8087000
  1 1 1      -1    6   20 f    4.551000      0.2551000       4.426000 0.3470000       4.675000      0.3742000     -0.2490000      0.5103000
  1 1 1      -1    6   21 f    5.417000      0.2344000       5.693000 0.3000000       5.141000      0.3602000      0.5514000      0.4688000
  1 1 1      -1    6   22 o    10.34000      0.2115000       10.24000 0.2886000       10.44000      0.3093000     -0.1969000      0.4230000
  1 1 1      -1    6   23 o    6.582000      0.2326000       6.085000 0.3289000       7.079000      0.3290000     -0.9946000      0.4652000
  1 1 1      -1    6   24 o    8.616000      0.2187000       8.429000 0.3020000       8.802000      0.3165000     -0.3736000      0.4374000
  1 1 1      -1    6   25 o    9.602000      0.2242000       9.509000 0.3087000       9.696000      0.3253000     -0.1869000      0.4485000
  1 1 1      -1    6   26 o    7.404000      0.3340000       7.264000 0.4357000       7.544000      0.5063000     -0.2798000      0.6680000
  1 1 1      -1    6   27 o    7.876000      0.2522000       8.537000 0.3400000       7.214000      0.3725000       1.323000      0.5043000
  1 1 1      -1    6   28 o    4.959000      0.3288000       4.876000 0.4423000       5.042000      0.4867000     -0.1657000      0.6577000
  1 1 1      -1    6   29 o    3.054000      0.6652000       2.735000 0.9327000       3.373000      0.9486000     -0.6382000       1.330000
  1 1 1      -1    6   30 o    11.45000      0.3148000       11.37000 0.3503000       11.53000      0.5233000     -0.1520000      0.6297000
  1 1 1      -1    6   31 o    6.178000      0.3204000       5.856000 0.4396000       6.500000      0.4663000     -0.6433000      0.6408000
  1 1 1      -1    6   32 o    2.829000      0.5801000       3.268000 0.7559000       2.389000      0.8802000      0.8797000       1.160000
  1 1 1      -1    6   33 o    3.138000      0.5858000       3.310000 0.7005000       2.966000      0.9391000      0.3441000       1.172000
  1 1 1      -1    6   34 o    3.996000      0.4998000       4.337000 0.5804000       3.655000      0.8137000      0.6819000      0.9995000
  1 1 1      -1    6   35 f    2.657000      0.6114000       2.805000 0.8275000       2.508000      0.9003000      0.2968000       1.223000
  1 1 1      -1    6   36 o    5.596000      0.3669000       5.868000 0.4863000       5.324000      0.5495000      0.5446000      0.7338000
  1 1 1      -1    6   37 o    1.786000      0.5420000       1.562000 0.7151000       2.009000      0.8147000     -0.4474000       1.084000
  1 1 1      -1    7    1 o    18.67000      0.2651000       18.35000 0.3735000       18.99000      0.3763000     -0.6464000      0.5302000
  1 1 1      -1    7    2 o    8.819000      0.1881000       8.653000 0.2245000       8.985000      0.3020000     -0.3318000      0.3763000
  1 1 1      -1    7    3 o    20.87000      0.4068000       21.24000 0.5874000       20.50000      0.5629000      0.7420000      0.8136000
  1 1 1      -1    7    4 o    32.78000      0.6239000       32.05000 0.8632000       33.51000      0.9010000      -1.463000       1.248000
  1 1 1      -1    7    5 o    13.06000      0.2673000       13.08000 0.3796000       13.04000      0.3766000      0.3054000E-01  0.5347000
  1 1 1      -1    7    6 o    22.84000      0.3121000       22.83000 0.4413000       22.86000      0.4416000     -0.3355000E-01  0.6243000
  1 1 1      -1    7    7 o    13.16000      0.1940000       13.31000 0.2773000       13.01000      0.2714000      0.3000000      0.3880000
  1 1 1      -1    7    8 o    20.10000      0.3969000       20.25000 0.5662000       19.95000      0.5563000      0.2957000      0.7938000
  1 1 1      -1    7    9 o    14.79000      0.3088000       14.87000 0.4409000       14.70000      0.4325000      0.1756000      0.6176000
  1 1 1      -1    7   10 o    7.338000      0.2260000       7.020000 0.3254000       7.656000      0.3137000     -0.6362000      0.4519000
  1 1 1      -1    7   11 o    7.795000      0.1626000       7.475000 0.2303000       8.115000      0.2296000     -0.6403000      0.3252000
  1 1 1      -1    7   12 o    4.385000      0.2725000       4.455000 0.3693000       4.315000      0.4008000      0.1396000      0.5450000
  1 1 1      -1    7   13 o    4.111000      0.2160000       4.152000 0.3014000       4.069000      0.3094000      0.8305000E-01  0.4320000
  1 1 1      -1    7   14 o    6.081000      0.1777000       5.880000 0.2538000       6.283000      0.2487000     -0.4034000      0.3554000
  1 1 1      -1    7   15 o    6.175000      0.1882000       6.366000 0.2602000       5.983000      0.2719000      0.3832000      0.3763000
  1 1 1      -1    7   16 o    7.984000      0.1858000       8.207000 0.2626000       7.760000      0.2630000      0.4475000      0.3716000
  1 1 1      -1    7   17 o    9.061000      0.1930000       9.015000 0.2726000       9.107000      0.2734000     -0.9126000E-01  0.3861000
  1 1 1      -1    7   18 o    4.825000      0.2488000       4.871000 0.3598000       4.780000      0.3436000      0.9043000E-01  0.4976000
  1 1 1      -1    7   19 o    12.72000      0.2211000       12.56000 0.3134000       12.88000      0.3119000     -0.3207000      0.4422000
  1 1 1      -1    7   20 o    16.76000      0.2573000       16.59000 0.3588000       16.92000      0.3689000     -0.3269000      0.5146000
  1 1 1      -1    7   21 o    2.785000      0.4102000       2.756000 0.5639000       2.814000      0.5958000     -0.5771000E-01  0.8203000
  1 1 1      -1    7   22 o    1.556000      0.4345000       1.820000 0.6389000       1.293000      0.5891000      0.5266000      0.8691000
  1 1 1      -1    7   23 o    6.535000      0.2353000       6.616000 0.3042000       6.454000      0.3592000      0.1614000      0.4707000
  1 1 1      -1    7   24 o    4.726000      0.2898000       4.077000 0.4298000       5.375000      0.3890000      -1.298000      0.5797000
  1 1 1      -1    7   26 o    6.514000      0.2592000       6.284000 0.3631000       6.744000      0.3699000     -0.4599000      0.5184000
  1 1 1      -1    7   27 o    10.84000      0.2377000       10.96000 0.3211000       10.71000      0.3505000      0.2556000      0.4754000
  1 1 1      -1    7   28 o    2.494000      0.6413000       2.314000 0.8903000       2.675000      0.9232000     -0.3616000       1.283000
  1 1 1      -1    7   29 o    6.577000      0.3009000       6.279000 0.4100000       6.876000      0.4406000     -0.5968000      0.6019000
  1 1 1      -1    7   30 o    6.929000      0.2914000       7.220000 0.3686000       6.638000      0.4515000      0.5814000      0.5828000
  1 1 1      -1    7   31 o    8.912000      0.2690000       8.808000 0.3464000       9.016000      0.4115000     -0.2076000      0.5379000
  1 1 1      -1    7   32 o    3.367000      0.5653000       3.356000 0.7440000       3.379000      0.8513000     -0.2368000E-01   1.131000
  1 1 1      -1    7   33 o    3.125000      0.5873000       3.258000 0.7416000       2.992000      0.9109000      0.2660000       1.175000
  1 1 1      -1    7   34 o    3.546000      0.5393000       3.195000 0.7264000       3.897000      0.7974000     -0.7021000       1.079000
  1 1 1      -1    7   35 o    2.197000      0.5805000       2.418000 0.8210000       1.975000      0.8209000      0.4429000       1.161000
  1 1 1      -1    7   36 o    4.854000      0.4118000       4.938000 0.5686000       4.771000      0.5959000      0.1671000      0.8237000
  1 1 1      -1    7   37 o    4.718000      0.4179000       4.665000 0.5941000       4.771000      0.5878000     -0.1061000      0.8358000
  1 1 1      -1    8    1 o    26.85000      0.5457000       26.66000 0.7953000       27.04000      0.7473000     -0.3738000       1.091000
  1 1 1      -1    8    2 o    9.429000      0.1720000       9.319000 0.2469000       9.539000      0.2394000     -0.2197000      0.3439000
  1 1 1      -1    8    3 o    14.08000      0.2466000       14.05000 0.4007000       14.11000      0.2874000     -0.5657000E-01  0.4932000
  1 1 1      -1    8    4 o    16.88000      0.2370000       16.77000 0.3337000       17.00000      0.3367000     -0.2281000      0.4740000
  1 1 1      -1    8    5 o    6.960000      0.1547000       7.077000 0.1828000       6.842000      0.2497000      0.2349000      0.3095000
  1 1 1      -1    8    6 o    8.459000      0.2089000       8.426000 0.2954000       8.491000      0.2955000     -0.6502000E-01  0.4178000
  1 1 1      -1    8    7 o    13.10000      0.2761000       13.73000 0.4051000       12.48000      0.3753000       1.247000      0.5523000
  1 1 1      -1    8    8 o    17.32000      0.2457000       17.15000 0.3446000       17.49000      0.3502000     -0.3404000      0.4913000
  1 1 1      -1    8    9 o    14.73000      0.2165000       14.89000 0.3096000       14.57000      0.3026000      0.3199000      0.4330000
  1 1 1      -1    8   10 o    20.53000      0.2876000       20.48000 0.4063000       20.58000      0.4070000     -0.9436000E-01  0.5751000
  1 1 1      -1    8   11 o    7.183000      0.1623000       7.108000 0.2299000       7.258000      0.2291000     -0.1502000      0.3245000
  1 1 1      -1    8   12 o    15.78000      0.2338000       15.73000 0.3302000       15.82000      0.3312000     -0.9752000E-01  0.4677000
  1 1 1      -1    8   13 o    7.454000      0.1713000       7.424000 0.2442000       7.485000      0.2403000     -0.6040000E-01  0.3426000
  1 1 1      -1    8   14 o    13.39000      0.2117000       13.52000 0.3020000       13.25000      0.2968000      0.2707000      0.4235000
  1 1 1      -1    8   15 o    5.172000      0.2042000       5.126000 0.2846000       5.219000      0.2928000     -0.9339000E-01  0.4083000
  1 1 1      -1    8   16 o    3.964000      0.2475000       3.823000 0.3563000       4.106000      0.3437000     -0.2823000      0.4951000
  1 1 1      -1    8   17 o    4.421000      0.2498000       4.834000 0.3315000       4.008000      0.3739000      0.8268000      0.4997000
  1 1 1      -1    8   18 o    7.071000      0.2038000       7.044000 0.2917000       7.097000      0.2845000     -0.5396000E-01  0.4075000
  1 1 1      -1    8   19 o    17.55000      0.2682000       17.87000 0.3860000       17.22000      0.3725000      0.6518000      0.5364000
  1 1 1      -1    8   20 o    9.297000      0.2083000       8.981000 0.2984000       9.612000      0.2907000     -0.6301000      0.4166000
  1 1 1      -1    8   21 o    6.696000      0.2293000       6.561000 0.3211000       6.832000      0.3275000     -0.2716000      0.4587000
  1 1 1      -1    8   22 o    6.753000      0.2276000       7.090000 0.2978000       6.417000      0.3444000      0.6732000      0.4553000
  1 1 1      -1    8   23 o    11.68000      0.3122000       11.07000 0.4224000       12.28000      0.4600000      -1.215000      0.6245000
  1 1 1      -1    8   24 o    2.988000      0.5754000       2.646000 0.7809000       3.330000      0.8453000     -0.6847000       1.151000
  1 1 1      -1    8   25 o    3.204000      0.4337000       3.128000 0.5856000       3.280000      0.6399000     -0.1514000      0.8674000
  1 1 1      -1    8   26 o    6.800000      0.2526000       6.965000 0.3307000       6.635000      0.3820000      0.3299000      0.5052000
  1 1 1      -1    8   27 o    7.049000      0.3713000       7.059000 0.4937000       7.039000      0.5546000      0.2013000E-01  0.7425000
  1 1 1      -1    8   28 o    3.955000      0.4087000       3.937000 0.5177000       3.973000      0.6325000     -0.3646000E-01  0.8174000
  1 1 1      -1    8   29 o    1.636000      0.4976000       1.275000 0.6000000       1.997000      0.7941000     -0.7221000      0.9953000
  1 1 1      -1    8   30 o    9.686000      0.2581000       9.803000 0.3368000       9.569000      0.3911000      0.2336000      0.5162000
  1 1 1      -1    8   31 o    13.21000      0.2675000       13.10000 0.3629000       13.31000      0.3931000     -0.2155000      0.5350000
  1 1 1      -1    8   32 o    5.342000      0.3692000       5.371000 0.4638000       5.313000      0.5747000      0.5800000E-01  0.7385000
  1 1 1      -1    8   33 o    2.240000      0.5972000       1.911000 0.7887000       2.569000      0.8971000     -0.6574000       1.194000
  1 1 1      -1    8   34 f    8.259000      0.2986000       8.466000 0.3853000       8.053000      0.4562000      0.4127000      0.5972000
  1 1 1      -1    8   35 o    2.714000      0.5777000       3.231000 0.7879000       2.196000      0.8452000       1.035000       1.155000
  1 1 1      -1    8   36 o    5.854000      0.3691000       6.712000 0.4563000       4.995000      0.5802000       1.717000      0.7382000
  1 1 1      -1    8   37 o    3.986000      0.5172000       5.314000 0.5586000       2.659000      0.8705000       2.655000       1.034000
  1 1 1      -1    9    1 o    19.98000      0.4084000       20.06000 0.5615000       19.90000      0.5933000      0.1610000      0.8169000
  1 1 1      -1    9    2 o    26.41000      0.5098000       25.59000 0.6966000       27.24000      0.7446000      -1.657000       1.020000
  1 1 1      -1    9    3 o    11.40000      0.2496000       10.88000 0.3349000       11.92000      0.3703000      -1.043000      0.4993000
  1 1 1      -1    9    4 o    49.65000      0.9407000       50.00000 1.339000       49.31000       1.321000      0.6943000       1.881000
  1 1 1      -1    9    5 o    7.779000      0.1876000       7.502000 0.2174000       8.057000      0.3058000     -0.5552000      0.3752000
  1 1 1      -1    9    6 o    24.32000      0.3322000       24.02000 0.4648000       24.61000      0.4747000     -0.5866000      0.6644000
  1 1 1      -1    9    7 o    10.12000      0.1649000       10.15000 0.2344000       10.10000      0.2320000      0.5860000E-01  0.3298000
  1 1 1      -1    9    8 o    11.71000      0.2576000       11.77000 0.3689000       11.65000      0.3595000      0.1235000      0.5151000
  1 1 1      -1    9    9 o    7.943000      0.1554000       8.012000 0.2244000       7.873000      0.2151000      0.1384000      0.3108000
  1 1 1      -1    9   10 o    13.80000      0.2075000       13.69000 0.2922000       13.90000      0.2947000     -0.2084000      0.4150000
  1 1 1      -1    9   11 o    25.39000      0.3499000       25.34000 0.4939000       25.43000      0.4958000     -0.8685000E-01  0.6998000
  1 1 1      -1    9   12 o    4.843000      0.1857000       4.868000 0.2656000       4.818000      0.2597000      0.5026000E-01  0.3714000
  1 1 1      -1    9   13 o    5.886000      0.1806000       6.062000 0.2541000       5.709000      0.2567000      0.3530000      0.3612000
  1 1 1      -1    9   14 o    4.640000      0.2106000       4.476000 0.3050000       4.805000      0.2905000     -0.3287000      0.4212000
  1 1 1      -1    9   15 o    5.593000      0.1969000       5.254000 0.2881000       5.932000      0.2684000     -0.6778000      0.3938000
  1 1 1      -1    9   16 o    3.436000      0.2818000       3.589000 0.3732000       3.282000      0.4224000      0.3075000      0.5637000
  1 1 1      -1    9   17 o    4.459000      0.2437000       4.530000 0.3452000       4.388000      0.3441000      0.1419000      0.4874000
  1 1 1      -1    9   18 o    2.418000      0.4123000       2.269000 0.6103000       2.566000      0.5544000     -0.2968000      0.8246000
  1 1 1      -1    9   19 o    8.244000      0.2065000       8.042000 0.2962000       8.446000      0.2878000     -0.4036000      0.4130000
  1 1 1      -1    9   20 f    6.603000      0.2239000       6.763000 0.3225000       6.443000      0.3106000      0.3204000      0.4477000
  1 1 1      -1    9   21 o    9.616000      0.2144000       9.483000 0.3022000       9.749000      0.3042000     -0.2653000      0.4288000
  1 1 1      -1    9   22 o    4.892000      0.3765000       4.917000 0.4694000       4.868000      0.5889000      0.4971000E-01  0.7531000
  1 1 1      -1    9   23 o    7.762000      0.3028000       7.619000 0.4008000       7.905000      0.4540000     -0.2863000      0.6056000
  1 1 1      -1    9   24 o    7.569000      0.2361000       7.432000 0.3221000       7.705000      0.3452000     -0.2730000      0.4721000
  1 1 1      -1    9   25 o    5.459000      0.3506000       5.113000 0.5994000       5.805000      0.3638000     -0.6918000      0.7012000
  1 1 1      -1    9   26 o    5.528000      0.4264000       6.194000 0.5473000       4.861000      0.6539000       1.332000      0.8527000
  1 1 1      -1    9   27 o    11.02000      0.2411000       10.76000 0.3249000       11.27000      0.3563000     -0.5144000      0.4822000
  1 1 1      -1    9   28 o    4.916000      0.3496000       4.589000 0.4840000       5.243000      0.5047000     -0.6544000      0.6993000
  1 1 1      -1    9   29 o    8.434000      0.2618000       8.333000 0.3488000       8.534000      0.3906000     -0.2008000      0.5237000
  1 1 1      -1    9   30 o    11.66000      0.2580000       11.71000 0.3496000       11.61000      0.3796000      0.1033000      0.5160000
  1 1 1      -1    9   31 o    8.199000      0.2888000       7.917000 0.3804000       8.480000      0.4348000     -0.5637000      0.5777000
  1 1 1      -1    9   32 o    2.799000      0.6023000       2.457000 0.8166000       3.141000      0.8856000     -0.6842000       1.205000
  1 1 1      -1    9   33 o    3.050000      0.5860000       3.237000 0.7501000       2.863000      0.9004000      0.3741000       1.172000
  1 1 1      -1    9   34 o    10.14000      0.2763000       9.767000 0.3773000       10.51000      0.4039000     -0.7401000      0.5527000
  1 1 1      -1    9   35 o    2.107000      0.5833000       2.306000 0.8469000       1.908000      0.8022000      0.3977000       1.167000
  1 1 1      -1    9   36 o    5.430000      0.3837000       5.776000 0.5125000       5.084000      0.5712000      0.6916000      0.7674000
  1 1 1      -1   10    1 o    27.84000      0.4000000       26.87000 0.5613000       28.81000      0.5701000      -1.944000      0.8000000
  1 1 1      -1   10    2 o    19.15000      0.2814000       18.98000 0.4032000       19.32000      0.3928000     -0.3365000      0.5629000
  1 1 1      -1   10    3 o    18.91000      0.2738000       19.02000 0.3940000       18.81000      0.3801000      0.2130000      0.5475000
  1 1 1      -1   10    4 o    13.74000      0.2061000       13.46000 0.2905000       14.03000      0.2924000     -0.5715000      0.4122000
  1 1 1      -1   10    5 o    22.52000      0.3110000       22.42000 0.4393000       22.62000      0.4402000     -0.1990000      0.6219000
  1 1 1      -1   10    6 o    29.30000      0.3977000       29.32000 0.5634000       29.29000      0.5616000      0.3139000E-01  0.7955000
  1 1 1      -1   10    7 o    12.52000      0.1887000       12.35000 0.2647000       12.69000      0.2690000     -0.3386000      0.3774000
  1 1 1      -1   10    8 o    14.29000      0.2103000       14.30000 0.2982000       14.29000      0.2967000      0.1504000E-01  0.4207000
  1 1 1      -1   10    9 o    16.45000      0.2364000       16.48000 0.3354000       16.42000      0.3331000      0.5739000E-01  0.4727000
  1 1 1      -1   10   10 o    9.816000      0.1699000       9.876000 0.2418000       9.756000      0.2388000      0.1193000      0.3398000
  1 1 1      -1   10   11 o    18.30000      0.2614000       18.22000 0.3685000       18.38000      0.3709000     -0.1658000      0.5228000
  1 1 1      -1   10   12 o    9.266000      0.1736000       9.079000 0.2436000       9.453000      0.2474000     -0.3747000      0.3472000
  1 1 1      -1   10   13 o    6.337000      0.2331000       6.113000 0.3950000       6.562000      0.2475000     -0.4494000      0.4661000
  1 1 1      -1   10   14 o    12.02000      0.1987000       11.80000 0.2781000       12.25000      0.2838000     -0.4531000      0.3974000
  1 1 1      -1   10   15 o    4.272000      0.2352000       4.088000 0.3377000       4.457000      0.3276000     -0.3687000      0.4705000
  1 1 1      -1   10   16 o    3.925000      0.2549000       4.016000 0.3599000       3.833000      0.3611000      0.1830000      0.5098000
  1 1 1      -1   10   17 o    7.796000      0.2781000       7.796000 0.2781000                  ?              ?              ?              ?
  1 1 1      -1   10   18 o    1.788000      0.4517000       1.692000 0.6359000       1.884000      0.6418000     -0.1922000      0.9035000
  1 1 1      -1   10   19 o    9.593000      0.2917000                  ?       ?   9.593000      0.2917000                  ?              ?
  1 1 1      -1   10   21 o    1.609000      0.4871000       1.460000 0.6452000       1.758000      0.7300000     -0.2975000      0.9743000
  1 1 1      -1   10   22 o    1.927000      0.4860000       1.946000 0.6858000       1.908000      0.6889000      0.3782000E-01  0.9721000
  1 1 1      -1   10   23 o    4.706000      0.3133000       4.633000 0.4487000       4.779000      0.4372000     -0.1459000      0.6265000
  1 1 1      -1   10   24 o    9.176000      0.3676000       8.674000 0.5652000       9.679000      0.4701000      -1.005000      0.7351000
  1 1 1      -1   10   25 o    2.316000      0.6604000       2.702000 1.037000       1.929000      0.8184000      0.7728000       1.321000
  1 1 1      -1   10   26 o    7.617000      0.2453000       7.231000 0.3373000       8.004000      0.3562000     -0.7729000      0.4905000
  1 1 1      -1   10   27 o    13.32000      0.2484000       13.08000 0.3398000       13.56000      0.3625000     -0.4845000      0.4968000
  1 1 1      -1   10   28 f    11.60000      0.2453000       11.35000 0.3354000       11.85000      0.3580000     -0.4948000      0.4906000
  1 1 1      -1   10   29 o    10.91000      0.2554000       11.27000 0.3452000       10.56000      0.3764000      0.7149000      0.5107000
  1 1 1      -1   10   30 o    5.109000      0.4951000       5.495000 0.4283000       4.722000      0.8927000      0.7723000      0.9902000
  1 1 1      -1   10   31 o    7.233000      0.3009000       7.033000 0.3863000       7.432000      0.4614000     -0.3986000      0.6018000
  1 1 1      -1   10   32 o    8.699000      0.2833000       8.865000 0.3648000       8.533000      0.4336000      0.3321000      0.5667000
  1 1 1      -1   10   33 o    2.183000      0.5931000       1.919000 0.7702000       2.447000      0.9022000     -0.5282000       1.186000
  1 1 1      -1   10   34 o    3.067000      0.5877000       2.588000 0.8027000       3.545000      0.8586000     -0.9575000       1.175000
  1 1 1      -1   10   35 o    3.126000      0.5452000       2.246000 0.8210000       4.006000      0.7175000      -1.760000       1.090000
  1 1 1      -1   10   36 o    2.423000      0.5374000       1.475000 0.6905000       3.370000      0.8237000      -1.894000       1.075000
  1 1 1      -1   11    1 o    21.02000      0.3298000       21.68000 0.4939000       20.36000      0.4371000       1.318000      0.6596000
  1 1 1      -1   11    2 o    28.96000      0.4971000       29.32000 0.5943000       28.60000      0.7972000      0.7234000      0.9943000
  1 1 1      -1   11    3 o    7.440000      0.1937000       7.430000 0.2875000       7.450000      0.2596000     -0.1960000E-01  0.3874000
  1 1 1      -1   11    4 o    35.15000      0.5825000       35.23000 0.9499000       35.07000      0.6743000      0.1634000       1.165000
  1 1 1      -1   11    5 o    23.41000      0.3938000       23.51000 0.6438000       23.31000      0.4538000      0.1953000      0.7877000
  1 1 1      -1   11    6 o    14.09000      0.2113000       14.04000 0.3005000       14.14000      0.2971000     -0.1004000      0.4226000
  1 1 1      -1   11    7 o    6.422000      0.1549000       6.570000 0.2243000       6.274000      0.2136000      0.2968000      0.3098000
  1 1 1      -1   11    8 o    6.554000      0.1540000       6.606000 0.2181000       6.501000      0.2175000      0.1046000      0.3080000
  1 1 1      -1   11    9 o    6.266000      0.1571000       6.357000 0.2253000       6.174000      0.2191000      0.1835000      0.3143000
  1 1 1      -1   11   10 o    16.03000      0.2334000       15.88000 0.3284000       16.18000      0.3318000     -0.2961000      0.4668000
  1 1 1      -1   11   11 o    7.315000      0.1644000       7.197000 0.2335000       7.432000      0.2314000     -0.2351000      0.3287000
  1 1 1      -1   11   12 o    8.342000      0.1701000       8.219000 0.2395000       8.465000      0.2416000     -0.2453000      0.3402000
  1 1 1      -1   11   13 o    3.189000      0.2676000       2.996000 0.3985000       3.383000      0.3574000     -0.3866000      0.5353000
  1 1 1      -1   11   14 o    2.282000      0.3690000       2.335000 0.5209000       2.230000      0.5229000      0.1055000      0.7381000
  1 1 1      -1   11   15 o    1.431000      0.3952000       1.634000 0.5795000       1.228000      0.5376000      0.4066000      0.7904000
  1 1 1      -1   11   16 o    6.310000      0.1995000       6.273000 0.2833000       6.346000      0.2811000     -0.7372000E-01  0.3991000
  1 1 1      -1   11   17 o    3.372000      0.4522000       3.372000 0.4522000                  ?              ?              ?              ?
  1 1 1      -1   11   18 o    6.557000      0.2576000       6.448000 0.3069000       6.667000      0.4138000     -0.2194000      0.5152000
  1 1 1      -1   11   19 o    6.409000      0.4323000                  ?       ?   6.409000      0.4323000                  ?              ?
  1 1 1      -1   11   20 o    12.18000      0.2236000       11.86000 0.3183000       12.50000      0.3142000     -0.6355000      0.4472000
  1 1 1      -1   11   21 o    4.374000      0.3029000       4.399000 0.4375000       4.348000      0.4191000      0.5103000E-01  0.6059000
  1 1 1      -1   11   22 o    8.154000      0.3526000       8.706000 0.5194000       7.601000      0.4770000       1.106000      0.7052000
  1 1 1      -1   11   23 o    8.230000      0.3711000       7.739000 0.5771000       8.721000      0.4669000     -0.9820000      0.7423000
  1 1 1      -1   11   24 o    15.07000      0.2592000       15.27000 0.3747000       14.86000      0.3582000      0.4152000      0.5184000
  1 1 1      -1   11   25 o    9.735000      0.2393000       9.878000 0.3341000       9.591000      0.3427000      0.2869000      0.4786000
  1 1 1      -1   11   26 o    9.672000      0.2495000       9.563000 0.3549000       9.780000      0.3506000     -0.2168000      0.4989000
  1 1 1      -1   11   27 o    11.71000      0.2531000       11.99000 0.3576000       11.43000      0.3584000      0.5619000      0.5063000
  1 1 1      -1   11   28 o    8.006000      0.2580000       7.978000 0.3325000       8.033000      0.3946000     -0.5538000E-01  0.5160000
  1 1 1      -1   11   29 o    4.716000      0.3682000       4.686000 0.4957000       4.746000      0.5446000     -0.5989000E-01  0.7364000
  1 1 1      -1   11   30 f    2.942000      0.5677000       2.410000 0.7949000       3.474000      0.8106000      -1.064000       1.135000
  1 1 1      -1   11   31 o    9.963000      0.2687000       10.35000 0.3552000       9.577000      0.4032000      0.7729000      0.5373000
  1 1 1      -1   11   32 o    5.871000      0.3617000       6.342000 0.4368000       5.399000      0.5765000      0.9433000      0.7233000
  1 1 1      -1   11   33 o    2.191000      0.5962000       2.285000 0.8070000       2.098000      0.8777000      0.1867000       1.192000
  1 1 1      -1   11   34 o    5.091000      0.4056000       5.019000 0.5243000       5.163000      0.6190000     -0.1441000      0.8112000
  1 1 1      -1   11   35 o    1.815000      0.5576000       1.769000 0.7665000       1.861000      0.8101000     -0.9218000E-01   1.115000
  1 1 1      -1   11   36 o    1.604000      0.5177000       1.752000 0.7753000       1.457000      0.6862000      0.2952000       1.035000
  1 1 1      -1   12    1 o    4.384000      0.4077000       4.088000 0.5591000       4.680000      0.5936000     -0.5916000      0.8154000
  1 1 1      -1   12    2 o    31.40000      0.4479000       30.20000 0.6280000       32.60000      0.6389000      -2.402000      0.8958000
  1 1 1      -1   12    3 o    7.015000      0.2094000       6.910000 0.3027000       7.121000      0.2893000     -0.2107000      0.4188000
  1 1 1      -1   12    4 o    7.061000      0.1979000       6.994000 0.2896000       7.128000      0.2698000     -0.1332000      0.3958000
  1 1 1      -1   12    5 o    12.16000      0.2016000       12.18000 0.2934000       12.15000      0.2765000      0.2651000E-01  0.4032000
  1 1 1      -1   12    6 o    3.063000      0.2722000       3.051000 0.4005000       3.074000      0.3687000     -0.2355000E-01  0.5444000
  1 1 1      -1   12    7 o    2.866000      0.2693000       3.029000 0.3775000       2.703000      0.3842000      0.3267000      0.5386000
  1 1 1      -1   12    8 o    5.099000      0.1752000       5.326000 0.2530000       4.872000      0.2424000      0.4538000      0.3504000
  1 1 1      -1   12    9 o    10.03000      0.1737000       9.849000 0.2451000       10.22000      0.2463000     -0.3672000      0.3475000
  1 1 1      -1   12   10 o    8.359000      0.2080000       8.165000 0.3448000       8.552000      0.2329000     -0.3871000      0.4161000
  1 1 1      -1   12   11 o    11.02000      0.1851000       10.77000 0.2592000       11.27000      0.2642000     -0.5014000      0.3701000
  1 1 1      -1   12   12 o    1.861000      0.3847000       1.657000 0.5552000       2.065000      0.5327000     -0.4086000      0.7694000
  1 1 1      -1   12   13 o    5.160000      0.1926000       4.982000 0.2805000       5.338000      0.2641000     -0.3561000      0.3852000
  1 1 1      -1   12   14 o    8.899000      0.1815000       8.986000 0.2603000       8.812000      0.2532000      0.1748000      0.3631000
  1 1 1      -1   12   15 o    1.194000      0.3719000       1.166000 0.5219000       1.222000      0.5301000     -0.5518000E-01  0.7439000
  1 1 1      -1   12   16 o    3.111000      0.4385000       3.733000 0.4765000       2.489000      0.7364000       1.244000      0.8771000
  1 1 1      -1   12   17 o    2.500000      0.4958000       2.204000 0.6841000       2.796000      0.7178000     -0.5922000      0.9916000
  1 1 1      -1   12   18 o    5.814000      0.2492000       5.611000 0.3945000       6.016000      0.3047000     -0.4052000      0.4985000
  1 1 1      -1   12   19 o    3.294000      0.3587000       3.252000 0.5310000       3.337000      0.4825000     -0.8463000E-01  0.7175000
  1 1 1      -1   12   20 o    12.44000      0.2235000       12.17000 0.3168000       12.70000      0.3154000     -0.5290000      0.4470000
  1 1 1      -1   12   21 o    7.844000      0.3645000       7.529000 0.5671000       8.159000      0.4581000     -0.6299000      0.7290000
  1 1 1      -1   12   22 o    2.877000      0.4645000       2.360000 0.7311000       3.394000      0.5732000      -1.034000      0.9290000
  1 1 1      -1   12   23 o    13.33000      0.2434000       13.02000 0.3459000       13.65000      0.3425000     -0.6269000      0.4867000
  1 1 1      -1   12   24 o    16.03000      0.2674000       16.23000 0.3843000       15.82000      0.3717000      0.4061000      0.5347000
  1 1 1      -1   12   25 o    9.732000      0.2398000       9.433000 0.3446000       10.03000      0.3337000     -0.5981000      0.4797000
  1 1 1      -1   12   26 o    3.646000      0.4576000       3.619000 0.6538000       3.672000      0.6402000     -0.5244000E-01  0.9151000
  1 1 1      -1   12   27 o    9.066000      0.2575000       9.248000 0.3571000       8.884000      0.3711000      0.3635000      0.5150000
  1 1 1      -1   12   28 o    2.574000      0.5425000       1.863000 0.7636000       3.286000      0.7708000      -1.423000       1.085000
  1 1 1      -1   12   29 o    5.875000      0.3419000       5.577000 0.4992000       6.173000      0.4673000     -0.5956000      0.6838000
  1 1 1      -1   12   30 o    1.785000      0.5413000       1.768000 0.7369000       1.802000      0.7931000     -0.3326000E-01   1.083000
  1 1 1      -1   12   31 f    6.830000      0.3201000       7.207000 0.3928000       6.453000      0.5054000      0.7535000      0.6401000
  1 1 1      -1   12   32 o    1.687000      0.5272000       1.825000 0.7648000       1.549000      0.7258000      0.2757000       1.054000
  1 1 1      -1   12   33 o    1.791000      0.5488000       1.581000 0.7126000       2.002000      0.8347000     -0.4209000       1.098000
  1 1 1      -1   12   34 o    2.393000      0.5992000       2.663000 0.8233000       2.123000      0.8707000      0.5400000       1.198000
  1 1 1      -1   12   35 o    3.004000      0.5813000       2.307000 0.8585000       3.700000      0.7840000      -1.394000       1.163000
  1 1 1      -1   13    1 o    22.60000      0.3605000       22.12000 0.5275000       23.08000      0.4916000     -0.9570000      0.7211000
  1 1 1      -1   13    2 o    7.970000      0.2748000       7.790000 0.3701000       8.151000      0.4062000     -0.3612000      0.5495000
  1 1 1      -1   13    3 o    24.04000      0.4250000       23.88000 0.5123000       24.21000      0.6784000     -0.3367000      0.8501000
  1 1 1      -1   13    4 o    9.922000      0.2147000       9.604000 0.3168000       10.24000      0.2898000     -0.6360000      0.4294000
  1 1 1      -1   13    5 o    4.780000      0.2280000       4.456000 0.3347000       5.105000      0.3096000     -0.6497000      0.4559000
  1 1 1      -1   13    6 o    9.477000      0.1820000       9.025000 0.2632000       9.930000      0.2515000     -0.9050000      0.3641000
  1 1 1      -1   13    7 o    12.76000      0.2034000       12.70000 0.2921000       12.82000      0.2832000     -0.1259000      0.4068000
  1 1 1      -1   13    8 o    5.880000      0.1840000       6.050000 0.2658000       5.709000      0.2546000      0.3406000      0.3681000
  1 1 1      -1   13    9 f    17.09000      0.2478000       17.30000 0.3554000       16.88000      0.3454000      0.4139000      0.4956000
  1 1 1      -1   13   10 o    9.739000      0.1754000       9.848000 0.2533000       9.630000      0.2427000      0.2182000      0.3508000
  1 1 1      -1   13   11 o    6.841000      0.1739000       6.630000 0.2501000       7.053000      0.2417000     -0.4228000      0.3478000
  1 1 1      -1   13   12 o    1.722000      0.4114000       1.797000 0.5894000       1.648000      0.5742000      0.1489000      0.8228000
  1 1 1      -1   13   13 o    4.814000      0.2054000       4.990000 0.2869000       4.638000      0.2940000      0.3523000      0.4107000
  1 1 1      -1   13   14 o    9.950000      0.2565000       9.823000 0.3585000       10.08000      0.3669000     -0.2555000      0.5129000
  1 1 1      -1   13   15 o    6.620000      0.2505000       6.633000 0.3411000       6.607000      0.3670000      0.2555000E-01  0.5010000
  1 1 1      -1   13   16 o    7.127000      0.1989000       7.192000 0.2826000       7.061000      0.2799000      0.1309000      0.3978000
  1 1 1      -1   13   17 o    9.743000      0.2008000       9.782000 0.2820000       9.703000      0.2858000      0.7952000E-01  0.4015000
  1 1 1      -1   13   18 f    7.305000      0.2938000       7.405000 0.5069000       7.205000      0.2972000      0.1997000      0.5876000
  1 1 1      -1   13   19 o    13.38000      0.3438000       13.52000 0.5020000       13.25000      0.4699000      0.2716000      0.6876000
  1 1 1      -1   13   20 o    8.090000      0.2829000       8.186000 0.3191000       7.994000      0.4672000      0.1919000      0.5658000
  1 1 1      -1   13   21 o    6.752000      0.2363000       6.585000 0.3474000       6.920000      0.3205000     -0.3349000      0.4727000
  1 1 1      -1   13   22 o    8.543000      0.2277000       8.813000 0.3245000       8.273000      0.3195000      0.5401000      0.4554000
  1 1 1      -1   13   23 o    19.86000      0.3047000       19.95000 0.4348000       19.76000      0.4270000      0.1926000      0.6094000
  1 1 1      -1   13   24 o    8.318000      0.2454000       8.334000 0.3521000       8.302000      0.3419000      0.3202000E-01  0.4908000
  1 1 1      -1   13   25 o    15.93000      0.2719000       15.94000 0.3887000       15.93000      0.3803000      0.1232000E-01  0.5438000
  1 1 1      -1   13   26 o    4.715000      0.3557000       4.861000 0.4930000       4.568000      0.5128000      0.2933000      0.7114000
  1 1 1      -1   13   27 o    1.483000      0.4724000       1.559000 0.6896000       1.408000      0.6460000      0.1518000      0.9449000
  1 1 1      -1   13   28 o    5.955000      0.3217000       6.008000 0.4512000       5.901000      0.4587000      0.1064000      0.6434000
  1 1 1      -1   13   29 o    4.004000      0.4962000       4.591000 0.5791000       3.418000      0.8059000       1.173000      0.9924000
  1 1 1      -1   13   30 o    6.983000      0.3231000       7.005000 0.4423000       6.962000      0.4711000      0.4241000E-01  0.6462000
  1 1 1      -1   13   31 o    2.921000      0.6440000       2.634000 0.9576000       3.207000      0.8614000     -0.5727000       1.288000
  1 1 1      -1   13   32 o    4.652000      0.4286000       4.985000 0.5164000       4.318000      0.6843000      0.6669000      0.8572000
  1 1 1      -1   13   33 o    5.418000      0.3770000       5.524000 0.4824000       5.313000      0.5793000      0.2114000      0.7539000
  1 1 1      -1   13   34 o    2.119000      0.5648000       2.658000 0.8573000       1.580000      0.7355000       1.078000       1.130000
  1 1 1      -1   13   35 o    2.680000      0.7255000       2.645000 0.9822000       2.714000       1.068000     -0.6897000E-01   1.451000
  1 1 1      -1   14    1 f    10.16000      0.3672000       9.940000 0.4303000       10.38000      0.5952000     -0.4448000      0.7345000
  1 1 1      -1   14    2 o    11.73000      0.2820000       11.51000 0.4025000       11.94000      0.3952000     -0.4366000      0.5641000
  1 1 1      -1   14    3 o    8.043000      0.2501000       7.988000 0.3576000       8.098000      0.3499000     -0.1100000      0.5003000
  1 1 1      -1   14    4 o    12.29000      0.2353000       12.49000 0.3476000       12.09000      0.3171000      0.4011000      0.4705000
  1 1 1      -1   14    5 o    12.25000      0.2212000       12.70000 0.3274000       11.81000      0.2975000      0.8907000      0.4424000
  1 1 1      -1   14    6 o    13.66000      0.2576000       13.56000 0.4108000       13.77000      0.3110000     -0.2049000      0.5153000
  1 1 1      -1   14    7 o    9.102000      0.1876000       9.148000 0.2751000       9.056000      0.2551000      0.9172000E-01  0.3752000
  1 1 1      -1   14    8 o    11.53000      0.1970000       11.38000 0.2833000       11.69000      0.2740000     -0.3136000      0.3941000
  1 1 1      -1   14    9 o    8.466000      0.1828000       8.523000 0.2641000       8.409000      0.2529000      0.1143000      0.3657000
  1 1 1      -1   14   10 o    11.46000      0.1944000       11.66000 0.2813000       11.26000      0.2684000      0.3960000      0.3888000
  1 1 1      -1   14   11 o    8.077000      0.2540000       8.171000 0.3582000       7.983000      0.3602000      0.1877000      0.5080000
  1 1 1      -1   14   12 o    7.537000      0.2559000       6.980000 0.3624000       8.094000      0.3614000      -1.114000      0.5118000
  1 1 1      -1   14   13 o    9.170000      0.2619000       9.438000 0.3683000       8.902000      0.3724000      0.5362000      0.5238000
  1 1 1      -1   14   14 f    8.984000      0.1882000       9.044000 0.2703000       8.925000      0.2621000      0.1192000      0.3765000
  1 1 1      -1   14   15 o    6.707000      0.1960000       6.476000 0.2816000       6.938000      0.2726000     -0.4627000      0.3919000
  1 1 1      -1   14   16 o    10.82000      0.3023000       10.49000 0.4321000       11.15000      0.4229000     -0.6609000      0.6046000
  1 1 1      -1   14   17 o    1.679000      0.5199000       1.510000 0.7087000       1.848000      0.7610000     -0.3378000       1.040000
  1 1 1      -1   14   18 o    10.79000      0.2487000       11.08000 0.3100000       10.50000      0.3891000      0.5823000      0.4974000
  1 1 1      -1   14   19 o    8.438000      0.2128000       8.284000 0.3072000       8.593000      0.2945000     -0.3090000      0.4256000
  1 1 1      -1   14   20 o    11.11000      0.2197000       11.05000 0.3110000       11.17000      0.3105000     -0.1162000      0.4394000
  1 1 1      -1   14   21 o    5.945000      0.2572000       6.106000 0.3734000       5.783000      0.3539000      0.3230000      0.5144000
  1 1 1      -1   14   22 o    8.254000      0.2319000       8.382000 0.3295000       8.126000      0.3264000      0.2557000      0.4638000
  1 1 1      -1   14   23 o    13.67000      0.2450000       13.42000 0.3477000       13.92000      0.3451000     -0.4953000      0.4899000
  1 1 1      -1   14   24 o    7.122000      0.2614000       7.123000 0.3757000       7.122000      0.3634000      0.9656000E-03  0.5227000
  1 1 1      -1   14   25 o    9.602000      0.2459000       9.813000 0.3544000       9.391000      0.3410000      0.4222000      0.4918000
  1 1 1      -1   14   26 o    9.067000      0.2545000       8.916000 0.3652000       9.218000      0.3546000     -0.3023000      0.5090000
  1 1 1      -1   14   27 o    5.646000      0.3302000       5.494000 0.4678000       5.798000      0.4663000     -0.3048000      0.6605000
  1 1 1      -1   14   28 o    3.586000      0.5101000       4.096000 0.6517000       3.076000      0.7849000       1.020000       1.020000
  1 1 1      -1   14   29 o    3.922000      0.4697000       3.803000 0.6907000       4.042000      0.6369000     -0.2385000      0.9395000
  1 1 1      -1   14   30 o    6.047000      0.3585000       5.978000 0.4988000       6.115000      0.5151000     -0.1375000      0.7170000
  1 1 1      -1   14   31 o    4.092000      0.5181000       4.114000 0.7194000       4.070000      0.7458000      0.4466000E-01   1.036000
  1 1 1      -1   14   32 o    4.011000      0.5270000       4.575000 0.6509000       3.446000      0.8289000       1.129000       1.054000
  1 1 1      -1   14   33 o    2.675000      0.7041000       3.140000 1.020000       2.209000      0.9712000      0.9318000       1.408000
  1 1 1      -1   14   34 o    2.697000      0.6948000       3.272000 1.006000       2.121000      0.9584000       1.151000       1.390000
  1 1 1      -1   15    1 o    10.46000      0.3144000       10.33000 0.4241000       10.60000      0.4642000     -0.2709000      0.6288000
  1 1 1      -1   15    2 o    6.824000      0.3730000       7.123000 0.4538000       6.525000      0.5921000      0.5977000      0.7459000
  1 1 1      -1   15    3 o    2.285000      0.5316000       2.155000 0.7259000       2.414000      0.7768000     -0.2581000       1.063000
  1 1 1      -1   15    4 o    7.290000      0.2709000       7.323000 0.3721000       7.256000      0.3938000      0.6724000E-01  0.5418000
  1 1 1      -1   15    5 o    5.334000      0.2730000       5.570000 0.3801000       5.098000      0.3920000      0.4722000      0.5460000
  1 1 1      -1   15    6 o    2.695000      0.4109000       2.623000 0.6201000       2.766000      0.5393000     -0.1429000      0.8218000
  1 1 1      -1   15    7 o    2.885000      0.3951000       2.325000 0.6495000       3.445000      0.4502000      -1.119000      0.7903000
  1 1 1      -1   15    8 o    4.291000      0.4663000       4.808000 0.6907000       3.773000      0.6268000       1.035000      0.9327000
  1 1 1      -1   15    9 o    1.747000      0.5328000       1.731000 0.7700000       1.763000      0.7368000     -0.3146000E-01   1.066000
  1 1 1      -1   15   10 o    6.588000      0.3123000       6.257000 0.4631000       6.919000      0.4192000     -0.6617000      0.6247000
  1 1 1      -1   15   11 o    4.526000      0.2412000       4.326000 0.3688000       4.726000      0.3109000     -0.4000000      0.4824000
  1 1 1      -1   15   12 o    12.53000      0.2081000       12.42000 0.2961000       12.64000      0.2925000     -0.2182000      0.4162000
  1 1 1      -1   15   13 f    1.488000      0.4017000       1.199000 0.5336000       1.777000      0.6007000     -0.5782000      0.8035000
  1 1 1      -1   15   14 o    5.358000      0.3196000       5.888000 0.4782000       4.827000      0.4242000       1.061000      0.6393000
  1 1 1      -1   15   16 o    5.910000      0.2206000       5.798000 0.3264000       6.023000      0.2970000     -0.2256000      0.4413000
  1 1 1      -1   15   17 o    5.053000      0.2549000       4.687000 0.3811000       5.418000      0.3385000     -0.7308000      0.5097000
  1 1 1      -1   15   18 o    10.08000      0.3085000       10.08000 0.3085000                  ?              ?              ?              ?
  1 1 1      -1   15   19 f    3.038000      0.4182000       2.550000 0.6649000       3.527000      0.5073000     -0.9771000      0.8363000
  1 1 1      -1   15   20 o    8.218000      0.3149000                  ?       ?   8.218000      0.3149000                  ?              ?
  1 1 1      -1   15   21 o    4.664000      0.3163000       4.561000 0.4690000       4.766000      0.4244000     -0.2047000      0.6325000
  1 1 1      -1   15   22 o    5.219000      0.2898000       5.287000 0.4095000       5.151000      0.4101000      0.1356000      0.5795000
  1 1 1      -1   15   23 o    9.344000      0.2346000       9.527000 0.3356000       9.162000      0.3281000      0.3652000      0.4693000
  1 1 1      -1   15   24 o    4.665000      0.3422000       4.754000 0.4655000       4.577000      0.5017000      0.1762000      0.6844000
  1 1 1      -1   15   25 o    4.130000      0.3895000       3.900000 0.5853000       4.359000      0.5139000     -0.4588000      0.7789000
  1 1 1      -1   15   26 o    5.756000      0.3102000       5.818000 0.4359000       5.695000      0.4414000      0.1228000      0.6204000
  1 1 1      -1   15   27 o    4.337000      0.4322000       4.711000 0.5496000       3.963000      0.6670000      0.7482000      0.8643000
  1 1 1      -1   15   28 o    4.230000      0.4697000       3.244000 0.7724000       5.217000      0.5347000      -1.973000      0.9394000
  1 1 1      -1   15   29 o    6.042000      0.3520000       6.091000 0.5044000       5.993000      0.4910000      0.9826000E-01  0.7039000
  1 1 1      -1   15   30 o    6.094000      0.3493000       5.972000 0.4988000       6.217000      0.4891000     -0.2452000      0.6986000
  1 1 1      -1   15   31 o    3.957000      0.5310000       3.800000 0.7654000       4.115000      0.7363000     -0.3150000       1.062000
  1 1 1      -1   15   32 o    2.740000      0.6875000       1.889000 0.8594000       3.591000       1.073000      -1.702000       1.375000
  1 1 1      -1   15   33 o    2.470000      0.6072000       2.800000 0.8459000       2.140000      0.8713000      0.6606000       1.214000
  1 1 1      -1   15   34 o    2.274000      0.5983000       1.785000 0.7843000       2.762000      0.9037000     -0.9769000       1.197000
  1 1 1      -1   16    1 o    9.059000      0.3510000       9.257000 0.4519000       8.860000      0.5372000      0.3963000      0.7020000
  1 1 1      -1   16    2 o    12.24000      0.3036000       12.28000 0.4217000       12.20000      0.4369000      0.8606000E-01  0.6072000
  1 1 1      -1   16    3 o    12.20000      0.6910000       13.23000 1.183000       11.18000      0.7139000       2.049000       1.382000
  1 1 1      -1   16    4 o    8.197000      0.9356000       8.576000 1.643000       7.817000      0.8949000      0.7586000       1.871000
  1 1 1      -1   16    5 f    4.977000      0.7795000       5.606000 1.293000       4.348000      0.8711000       1.258000       1.559000
  1 1 1      -1   16    6 o    5.032000      0.7373000       4.768000 1.259000       5.296000      0.7679000     -0.5276000       1.475000
  1 1 1      -1   16    7 o    4.455000      0.2876000       4.306000 0.4366000       4.605000      0.3743000     -0.2995000      0.5751000
  1 1 1      -1   16    8 o    2.249000      0.4628000       2.406000 0.6708000       2.091000      0.6377000      0.3148000      0.9256000
  1 1 1      -1   16    9 o    3.001000      0.3599000       3.189000 0.5279000       2.814000      0.4892000      0.3756000      0.7197000
  1 1 1      -1   16   10 o    10.80000      0.2399000       11.22000 0.3958000       10.38000      0.2712000      0.8348000      0.4798000
  1 1 1      -1   16   11 o    8.993000      0.2575000       8.996000 0.3766000       8.990000      0.3512000      0.6199000E-02  0.5149000
  1 1 1      -1   16   12 o    6.463000      0.2771000       6.462000 0.4130000       6.465000      0.3695000     -0.2636000E-02  0.5541000
  1 1 1      -1   16   13 o    4.601000      0.2615000       5.018000 0.3522000       4.184000      0.3867000      0.8334000      0.5230000
  1 1 1      -1   16   14 o    2.299000      0.4471000       2.444000 0.6383000       2.155000      0.6262000      0.2894000      0.8941000
  1 1 1      -1   16   15 o    3.441000      0.3495000       2.948000 0.5611000       3.933000      0.4168000     -0.9851000      0.6990000
  1 1 1      -1   16   16 o    5.621000      0.2419000       5.505000 0.3469000       5.737000      0.3374000     -0.2323000      0.4839000
  1 1 1      -1   16   17 o    5.864000      0.2416000       5.821000 0.3572000       5.906000      0.3254000     -0.8573000E-01  0.4832000
  1 1 1      -1   16   18 o    4.412000      0.3497000       5.058000 0.4010000       3.766000      0.5731000       1.291000      0.6994000
  1 1 1      -1   16   19 o    6.017000      0.2490000       6.113000 0.3619000       5.921000      0.3421000      0.1915000      0.4980000
  1 1 1      -1   16   20 o    8.136000      0.3237000                  ?       ?   8.136000      0.3237000                  ?              ?
  1 1 1      -1   16   21 o    4.864000      0.3035000       4.856000 0.4367000       4.872000      0.4217000     -0.1603000E-01  0.6071000
  1 1 1      -1   16   22 o    7.290000      0.2542000       7.606000 0.3583000       6.974000      0.3607000      0.6327000      0.5085000
  1 1 1      -1   16   23 o    3.449000      0.4392000       2.750000 0.7097000       4.148000      0.5175000      -1.399000      0.8783000
  1 1 1      -1   16   24 o    9.561000      0.2443000       9.921000 0.3412000       9.202000      0.3497000      0.7188000      0.4886000
  1 1 1      -1   16   25 o    9.914000      0.2474000       9.857000 0.3545000       9.970000      0.3452000     -0.1132000      0.4948000
  1 1 1      -1   16   26 o    3.732000      0.4641000       3.648000 0.6804000       3.816000      0.6314000     -0.1680000      0.9283000
  1 1 1      -1   16   27 o    5.001000      0.3757000       4.837000 0.5562000       5.164000      0.5052000     -0.3270000      0.7514000
  1 1 1      -1   16   28 o    3.054000      0.5714000       3.246000 0.7986000       2.862000      0.8173000      0.3840000       1.143000
  1 1 1      -1   16   29 o    2.633000      0.5945000       3.065000 0.8469000       2.201000      0.8344000      0.8646000       1.189000
  1 1 1      -1   16   30 o    3.039000      0.7033000       2.795000 0.9660000       3.283000       1.023000     -0.4877000       1.407000
  1 1 1      -1   16   31 o    2.865000      0.7084000       2.212000 0.9286000       3.517000       1.070000      -1.305000       1.417000
  1 1 1      -1   16   32 o    6.056000      0.4586000       6.342000 0.7371000       5.771000      0.5458000      0.5707000      0.9172000
  1 1 1      -1   16   33 o    2.225000      0.6020000       2.299000 0.8277000       2.151000      0.8745000      0.1481000       1.204000
  1 1 1      -1   17    1 o    4.908000       1.167000       4.509000 1.954000       5.307000       1.278000     -0.7984000       2.335000
  1 1 1      -1   17    2 o    8.146000      0.4692000       8.975000 0.4792000       7.317000      0.8067000       1.658000      0.9383000
  1 1 1      -1   17    3 o    4.472000      0.4458000       4.667000 0.5377000       4.276000      0.7112000      0.3915000      0.8916000
  1 1 1      -1   17    4 o    3.122000      0.5334000       2.326000 0.8065000       3.918000      0.6982000      -1.592000       1.067000
  1 1 1      -1   17    5 o    10.26000      0.2890000       9.841000 0.3880000       10.67000      0.4285000     -0.8325000      0.5780000
  1 1 1      -1   17    6 o    4.025000      0.3404000       4.395000 0.4874000       3.655000      0.4753000      0.7391000      0.6808000
  1 1 1      -1   17    7 o    3.867000      0.3520000       3.988000 0.4887000       3.746000      0.5068000      0.2415000      0.7040000
  1 1 1      -1   17    8 o    3.023000      0.4517000       3.062000 0.6424000       2.983000      0.6351000      0.7936000E-01  0.9034000
  1 1 1      -1   17    9 o    3.585000      0.3879000       3.860000 0.5319000       3.309000      0.5648000      0.5505000      0.7758000
  1 1 1      -1   17   10 o    9.053000      0.2098000       8.881000 0.3056000       9.226000      0.2876000     -0.3443000      0.4196000
  1 1 1      -1   17   11 f    2.067000      0.4862000       2.365000 0.7165000       1.770000      0.6574000      0.5956000      0.9724000
  1 1 1      -1   17   12 o    7.691000      0.2123000       7.569000 0.3129000       7.813000      0.2870000     -0.2441000      0.4246000
  1 1 1      -1   17   13 o    7.890000      0.2086000       8.267000 0.3051000       7.513000      0.2846000      0.7547000      0.4172000
  1 1 1      -1   17   14 o    4.063000      0.2943000       4.391000 0.4102000       3.735000      0.4222000      0.6563000      0.5887000
  1 1 1      -1   17   15 o    8.413000      0.2099000       8.471000 0.3080000       8.355000      0.2851000      0.1156000      0.4198000
  1 1 1      -1   17   16 o    4.405000      0.3035000       4.205000 0.4705000       4.606000      0.3835000     -0.4001000      0.6070000
  1 1 1      -1   17   17 o    8.872000      0.2524000       9.311000 0.4016000       8.433000      0.3058000      0.8779000      0.5048000
  1 1 1      -1   17   18 o    4.627000      0.3199000       5.130000 0.4205000       4.123000      0.4822000       1.007000      0.6398000
  1 1 1      -1   17   19 f    9.764000      0.3042000       9.805000 0.5241000       9.722000      0.3089000      0.8319000E-01  0.6083000
  1 1 1      -1   17   20 o    7.392000      0.2430000       7.533000 0.3529000       7.251000      0.3341000      0.2821000      0.4860000
  1 1 1      -1   17   21 o    3.892000      0.4003000       3.730000 0.6002000       4.054000      0.5298000     -0.3238000      0.8006000
  1 1 1      -1   17   22 o    8.378000      0.2441000       8.379000 0.3529000       8.377000      0.3375000      0.1197000E-02  0.4883000
  1 1 1      -1   17   23 o    1.947000      0.5271000       2.044000 0.7560000       1.849000      0.7347000      0.1956000       1.054000
  1 1 1      -1   17   24 o    8.089000      0.2609000       8.091000 0.3752000       8.086000      0.3625000      0.5127000E-02  0.5218000
  1 1 1      -1   17   25 o    9.805000      0.2567000       9.757000 0.3632000       9.853000      0.3628000     -0.9587000E-01  0.5133000
  1 1 1      -1   17   26 o    7.621000      0.2891000       7.387000 0.4167000       7.854000      0.4010000     -0.4675000      0.5782000
  1 1 1      -1   17   27 o    2.372000      0.5874000       2.672000 0.8455000       2.073000      0.8157000      0.5989000       1.175000
  1 1 1      -1   17   28 o    3.192000      0.6801000       2.490000 0.9038000       3.895000       1.017000      -1.405000       1.360000
  1 1 1      -1   17   29 o    3.069000      0.6850000       2.594000 0.9245000       3.545000       1.011000     -0.9508000       1.370000
  1 1 1      -1   17   30 o    3.644000      0.5656000       3.229000 0.8713000       4.059000      0.7215000     -0.8296000       1.131000
  1 1 1      -1   17   31 o    5.421000      0.4219000       5.266000 0.6066000       5.576000      0.5866000     -0.3109000      0.8438000
  1 1 1      -1   17   32 o    3.502000      0.7941000       3.476000 1.168000       3.528000       1.076000     -0.5183000E-01   1.588000
  1 1 1      -1   18    1 o    7.032000      0.5554000       7.118000 0.5745000       6.945000      0.9507000      0.1728000       1.111000
  1 1 1      -1   18    2 o    3.437000      0.6952000       4.108000 0.8118000       2.767000       1.129000       1.341000       1.390000
  1 1 1      -1   18    3 o    6.629000      0.3421000       6.584000 0.4428000       6.674000      0.5216000     -0.9081000E-01  0.6843000
  1 1 1      -1   18    4 o    7.986000      0.2946000       8.450000 0.3957000       7.521000      0.4365000      0.9288000      0.5891000
  1 1 1      -1   18    5 o    6.940000      0.3006000       6.916000 0.3896000       6.964000      0.4579000     -0.4851000E-01  0.6012000
  1 1 1      -1   18    6 o    6.932000      0.2714000       7.108000 0.3911000       6.757000      0.3763000      0.3501000      0.5427000
  1 1 1      -1   18    7 o    6.516000      0.2572000       6.542000 0.3830000       6.490000      0.3433000      0.5211000E-01  0.5143000
  1 1 1      -1   18    8 o    8.074000      0.2436000       8.003000 0.3618000       8.144000      0.3264000     -0.1407000      0.4873000
  1 1 1      -1   18    9 o    4.210000      0.3596000       4.228000 0.5408000       4.193000      0.4740000      0.3437000E-01  0.7191000
  1 1 1      -1   18   10 o    4.996000      0.2711000       5.020000 0.4073000       4.972000      0.3578000      0.4891000E-01  0.5421000
  1 1 1      -1   18   11 o    1.893000      0.4718000       2.121000 0.7024000       1.666000      0.6301000      0.4553000      0.9435000
  1 1 1      -1   18   12 o    5.378000      0.2646000       5.265000 0.4076000       5.490000      0.3374000     -0.2249000      0.5291000
  1 1 1      -1   18   13 o    6.556000      0.2397000       6.450000 0.3651000       6.663000      0.3109000     -0.2131000      0.4795000
  1 1 1      -1   18   14 o    2.378000      0.4572000       1.918000 0.7198000       2.837000      0.5639000     -0.9194000      0.9144000
  1 1 1      -1   18   15 o    7.931000      0.2158000       8.010000 0.3160000       7.851000      0.2941000      0.1591000      0.4317000
  1 1 1      -1   18   16 o    12.18000      0.2240000       12.18000 0.3209000       12.19000      0.3126000     -0.1248000E-01  0.4480000
  1 1 1      -1   18   17 o    1.932000      0.5043000       2.021000 0.7382000       1.843000      0.6873000      0.1778000       1.009000
  1 1 1      -1   18   18 o    11.15000      0.2294000       11.33000 0.3312000       10.97000      0.3173000      0.3640000      0.4587000
  1 1 1      -1   18   19 o    4.345000      0.3596000       4.569000 0.5074000       4.121000      0.5097000      0.4482000      0.7192000
  1 1 1      -1   18   20 o    4.444000      0.3575000       4.926000 0.4770000       3.962000      0.5326000      0.9640000      0.7149000
  1 1 1      -1   18   21 o    5.496000      0.3087000       4.868000 0.4749000       6.125000      0.3946000      -1.258000      0.6175000
  1 1 1      -1   18   22 o    2.786000      0.5314000       2.837000 0.7793000       2.736000      0.7227000      0.1010000       1.063000
  1 1 1      -1   18   23 o    2.054000      0.5458000       1.833000 0.7582000       2.275000      0.7853000     -0.4415000       1.092000
  1 1 1      -1   18   24 o    2.278000      0.5397000       2.867000 0.7889000       1.689000      0.7366000       1.178000       1.079000
  1 1 1      -1   18   25 o    6.424000      0.3065000       6.369000 0.4497000       6.479000      0.4167000     -0.1103000      0.6131000
  1 1 1      -1   18   26 o    2.449000      0.6497000       1.860000 0.8158000       3.037000       1.011000      -1.177000       1.299000
  1 1 1      -1   18   27 o    4.424000      0.5944000       4.288000 0.7904000       4.561000      0.8880000     -0.2733000       1.189000
  1 1 1      -1   18   28 o    2.540000      0.5970000       3.163000 0.8667000       1.917000      0.8214000       1.246000       1.194000
  1 1 1      -1   18   29 o    2.042000      0.5996000       2.114000 0.8691000       1.969000      0.8262000      0.1453000       1.199000
  1 1 1      -1   18   30 o    3.093000      0.7443000       2.488000 1.072000       3.698000       1.032000      -1.210000       1.489000
  1 1 1      -1   18   31 o    4.131000      0.7176000       3.250000 1.153000       5.012000      0.8544000      -1.763000       1.435000
  1 1 1      -1   18   32 o    3.273000      0.6185000       3.215000 0.8811000       3.331000      0.8682000     -0.1160000       1.237000
  1 1 1      -1   19    1 o    8.212000      0.4448000       8.436000 0.5564000       7.989000      0.6942000      0.4467000      0.8896000
  1 1 1      -1   19    2 o    3.063000      0.7521000       2.157000 0.9774000       3.970000       1.143000      -1.813000       1.504000
  1 1 1      -1   19    3 o    9.037000      0.3328000       9.908000 0.4379000       8.167000      0.5012000       1.741000      0.6656000
  1 1 1      -1   19    4 o    2.978000      0.6090000       2.905000 0.8379000       3.051000      0.8839000     -0.1459000       1.218000
  1 1 1      -1   19    5 f    9.014000      0.2886000       8.690000 0.4171000       9.338000      0.3990000     -0.6488000      0.5772000
  1 1 1      -1   19    6 o    3.993000      0.4745000       3.127000 0.7842000       4.859000      0.5345000      -1.732000      0.9490000
  1 1 1      -1   19    7 o    4.046000      0.3905000       3.879000 0.5921000       4.213000      0.5093000     -0.3342000      0.7810000
  1 1 1      -1   19    8 o    5.446000      0.3094000       4.859000 0.4935000       6.032000      0.3733000      -1.173000      0.6187000
  1 1 1      -1   19    9 o    7.136000      0.2629000       7.194000 0.3925000       7.078000      0.3498000      0.1155000      0.5257000
  1 1 1      -1   19   10 o    4.678000      0.3251000       5.129000 0.4631000       4.227000      0.4564000      0.9021000      0.6502000
  1 1 1      -1   19   11 o    2.208000      0.4993000       2.361000 0.7574000       2.055000      0.6508000      0.3059000      0.9986000
  1 1 1      -1   19   12 o    3.659000      0.3889000       3.130000 0.6649000       4.187000      0.4037000      -1.058000      0.7778000
  1 1 1      -1   19   13 o    7.829000      0.2394000       7.692000 0.3633000       7.967000      0.3120000     -0.2748000      0.4789000
  1 1 1      -1   19   14 o    7.233000      0.2466000       7.360000 0.3754000       7.107000      0.3198000      0.2532000      0.4931000
  1 1 1      -1   19   15 o    11.46000      0.2306000       11.49000 0.3397000       11.43000      0.3118000      0.6046000E-01  0.4611000
  1 1 1      -1   19   16 f    10.88000      0.2242000       10.89000 0.3268000       10.87000      0.3071000      0.1560000E-01  0.4485000
  1 1 1      -1   19   17 o    5.122000      0.2958000       5.264000 0.4183000       4.979000      0.4183000      0.2852000      0.5915000
  1 1 1      -1   19   18 o    8.442000      0.2332000       8.593000 0.3361000       8.290000      0.3235000      0.3033000      0.4664000
  1 1 1      -1   19   19 o    8.990000      0.2711000       9.570000 0.3486000       8.411000      0.4152000       1.159000      0.5422000
  1 1 1      -1   19   20 o    6.785000      0.2899000       6.048000 0.4536000       7.522000      0.3612000      -1.474000      0.5799000
  1 1 1      -1   19   21 o    7.194000      0.2677000       7.261000 0.3850000       7.127000      0.3720000      0.1336000      0.5354000
  1 1 1      -1   19   22 o    3.099000      0.5364000       2.533000 0.8378000       3.666000      0.6700000      -1.133000       1.073000
  1 1 1      -1   19   23 o    9.818000      0.2590000       9.664000 0.3699000       9.971000      0.3626000     -0.3072000      0.5180000
  1 1 1      -1   19   25 o    1.876000      0.5724000       2.049000 0.8344000       1.703000      0.7837000      0.3457000       1.145000
  1 1 1      -1   19   26 o    6.911000      0.3995000       6.411000 0.5162000       7.412000      0.6100000      -1.001000      0.7990000
  1 1 1      -1   19   27 o    4.619000      0.4488000       4.488000 0.6419000       4.751000      0.6276000     -0.2629000      0.8977000
  1 1 1      -1   19   28 o    3.257000      0.8118000       3.516000 1.232000       2.997000       1.058000      0.5184000       1.624000
  1 1 1      -1   19   29 o    2.566000      0.7602000       2.574000 1.118000       2.557000       1.030000      0.1713000E-01   1.520000
  1 1 1      -1   19   30 o    4.880000      0.4905000       5.434000 0.6226000       4.326000      0.7582000       1.108000      0.9811000
  1 1 1      -1   19   31 o    4.242000      0.5472000       4.255000 0.7503000       4.228000      0.7966000      0.2619000E-01   1.094000
  1 1 1      -1   20    1 o    7.937000      0.4355000       8.814000 0.5038000       7.060000      0.7105000       1.754000      0.8710000
  1 1 1      -1   20    2 o    5.452000      0.6286000       6.813000 0.5769000       4.090000       1.117000       2.723000       1.257000
  1 1 1      -1   20    3 o    3.666000      0.6663000       3.786000 0.8410000       3.546000       1.034000      0.2396000       1.333000
  1 1 1      -1   20    4 o    6.633000      0.3481000       6.292000 0.4954000       6.973000      0.4893000     -0.6808000      0.6963000
  1 1 1      -1   20    5 o    6.631000      0.3239000       6.760000 0.4382000       6.502000      0.4771000      0.2583000      0.6478000
  1 1 1      -1   20    6 o    2.428000      0.5782000       2.793000 0.8201000       2.063000      0.8153000      0.7302000       1.156000
  1 1 1      -1   20    7 o    5.687000      0.3095000       5.731000 0.4313000       5.643000      0.4439000      0.8777000E-01  0.6189000
  1 1 1      -1   20    8 o    7.112000      0.2820000       7.088000 0.4243000       7.136000      0.3714000     -0.4811000E-01  0.5639000
  1 1 1      -1   20    9 o    5.839000      0.3145000       5.679000 0.4726000       5.999000      0.4149000     -0.3201000      0.6289000
  1 1 1      -1   20   10 o    4.802000      0.3458000       4.561000 0.5444000       5.043000      0.4265000     -0.4813000      0.6916000
  1 1 1      -1   20   11 o    3.754000      0.3897000       3.792000 0.6056000       3.716000      0.4908000      0.7565000E-01  0.7795000
  1 1 1      -1   20   12 o    3.796000      0.4288000       3.906000 0.6408000       3.685000      0.5701000      0.2207000      0.8577000
  1 1 1      -1   20   13 o    6.765000      0.2663000       6.507000 0.4173000       7.022000      0.3311000     -0.5151000      0.5327000
  1 1 1      -1   20   14 o    2.286000      0.5098000       1.898000 0.7839000       2.675000      0.6521000     -0.7773000       1.020000
  1 1 1      -1   20   15 o    6.103000      0.3021000       6.408000 0.4533000       5.798000      0.3996000      0.6099000      0.6043000
  1 1 1      -1   20   16 o    2.601000      0.5322000       2.207000 0.8058000       2.995000      0.6954000     -0.7878000       1.064000
  1 1 1      -1   20   17 o    9.320000      0.2390000       8.905000 0.3534000       9.734000      0.3219000     -0.8292000      0.4781000
  1 1 1      -1   20   18 o    2.293000      0.5352000       2.023000 0.7829000       2.563000      0.7299000     -0.5402000       1.070000
  1 1 1      -1   20   20 o    1.676000      0.5126000       1.702000 0.7452000       1.651000      0.7040000      0.5064000E-01   1.025000
  1 1 1      -1   20   21 o    6.987000      0.3625000                  ?       ?   6.987000      0.3625000                  ?              ?
  1 1 1      -1   20   22 o    2.798000      0.6640000       2.321000 0.9307000       3.276000      0.9475000     -0.9557000       1.328000
  1 1 1      -1   20   23 o    10.11000      0.3405000       10.50000 0.4700000       9.725000      0.4928000      0.7768000      0.6810000
  1 1 1      -1   20   24 o    8.495000      0.2886000       8.334000 0.4231000       8.656000      0.3924000     -0.3221000      0.5771000
  1 1 1      -1   20   25 o    3.351000      0.5996000       2.977000 0.8900000       3.726000      0.8037000     -0.7488000       1.199000
  1 1 1      -1   20   26 o    7.899000      0.5465000       6.808000 0.9123000       8.989000      0.6020000      -2.181000       1.093000
  1 1 1      -1   20   27 o    3.287000      0.7992000       3.817000 1.232000       2.757000       1.018000       1.060000       1.598000
  1 1 1      -1   20   28 o    3.224000      0.6245000       3.568000 0.8821000       2.880000      0.8842000      0.6888000       1.249000
  1 1 1      -1   20   29 o    1.654000      0.5383000       1.562000 0.7370000       1.746000      0.7847000     -0.1834000       1.077000
  1 1 1      -1   20   30 o    2.264000      0.6443000       2.407000 0.9389000       2.121000      0.8827000      0.2865000       1.289000
  1 1 1      -1   21    1 o    4.497000      0.7484000       4.412000 1.012000       4.582000       1.103000     -0.1697000       1.497000
  1 1 1      -1   21    2 o    7.827000      0.4656000       7.907000 0.5720000       7.747000      0.7349000      0.1600000      0.9312000
  1 1 1      -1   21    3 o    8.000000      0.3743000       7.369000 0.5439000       8.630000      0.5145000      -1.261000      0.7486000
  1 1 1      -1   21    4 o    5.149000      0.4277000       4.884000 0.6304000       5.413000      0.5783000     -0.5286000      0.8555000
  1 1 1      -1   21    5 o    5.275000      0.3917000       5.400000 0.5439000       5.150000      0.5639000      0.2507000      0.7835000
  1 1 1      -1   21    6 o    7.531000      0.3264000       7.568000 0.4668000       7.495000      0.4565000      0.7218000E-01  0.6529000
  1 1 1      -1   21    7 o    4.296000      0.4327000       4.484000 0.6023000       4.109000      0.6214000      0.3756000      0.8654000
  1 1 1      -1   21    8 o    10.08000      0.2668000       9.819000 0.4000000       10.35000      0.3533000     -0.5306000      0.5337000
  1 1 1      -1   21    9 o    6.618000      0.3108000       6.151000 0.4865000       7.086000      0.3870000     -0.9342000      0.6217000
  1 1 1      -1   21   10 o    4.562000      0.4229000       4.016000 0.7002000       5.108000      0.4744000      -1.092000      0.8457000
  1 1 1      -1   21   11 o    7.030000      0.2863000       7.037000 0.4384000       7.023000      0.3685000      0.1352000E-01  0.5727000
  1 1 1      -1   21   12 o    8.301000      0.2694000       8.332000 0.4049000       8.270000      0.3554000      0.6161000E-01  0.5388000
  1 1 1      -1   21   13 o    5.497000      0.3211000       5.213000 0.5088000       5.782000      0.3919000     -0.5689000      0.6423000
  1 1 1      -1   21   14 f    2.394000      0.5592000       2.126000 0.8253000       2.662000      0.7548000     -0.5357000       1.118000
  1 1 1      -1   21   15 o    3.924000      0.4343000       4.172000 0.6529000       3.675000      0.5728000      0.4975000      0.8685000
  1 1 1      -1   21   16 o    10.19000      0.2535000       9.754000 0.3809000       10.63000      0.3346000     -0.8728000      0.5070000
  1 1 1      -1   21   17 o    4.937000      0.3845000       4.545000 0.6176000       5.329000      0.4582000     -0.7844000      0.7691000
  1 1 1      -1   21   18 o    4.116000      0.4501000       3.869000 0.7120000       4.363000      0.5507000     -0.4939000      0.9001000
  1 1 1      -1   21   19 o    5.569000      0.6051000       5.569000 0.6051000                  ?              ?              ?              ?
  1 1 1      -1   21   20 o    7.140000      0.3785000       7.051000 0.5286000       7.230000      0.5419000     -0.1783000      0.7571000
  1 1 1      -1   21   21 o    5.160000      0.5112000                  ?       ?   5.160000      0.5112000                  ?              ?
  1 1 1      -1   21   22 o    2.630000      0.6100000       2.800000 0.8785000       2.460000      0.8465000      0.3396000       1.220000
  1 1 1      -1   21   23 o    3.047000      0.7626000       2.604000 1.124000       3.490000       1.030000     -0.8858000       1.525000
  1 1 1      -1   21   24 o    6.025000      0.6608000       5.302000 1.125000       6.747000      0.6938000      -1.445000       1.322000
  1 1 1      -1   21   25 o    3.409000      0.6196000       3.548000 0.8832000       3.270000      0.8692000      0.2774000       1.239000
  1 1 1      -1   21   26 o    3.655000      0.5847000       4.743000 0.7325000       2.567000      0.9115000       2.176000       1.169000
  1 1 1      -1   21   27 o    1.727000      0.5540000       1.700000 0.7801000       1.754000      0.7867000     -0.5363000E-01   1.108000
  1 1 1      -1   21   28 o    3.114000      0.5764000       4.182000 0.7757000       2.045000      0.8528000       2.138000       1.153000
  1 1 1      -1   21   29 o    2.432000      0.6289000       1.894000 0.8343000       2.971000      0.9413000      -1.077000       1.258000
  1 1 1      -1   22    1 o    2.966000      0.8164000       3.048000 1.122000       2.885000       1.187000      0.1634000       1.633000
  1 1 1      -1   22    2 o    6.632000      0.5410000       6.598000 0.6836000       6.666000      0.8386000     -0.6738000E-01   1.082000
  1 1 1      -1   22    3 o    4.097000      0.6851000       4.414000 0.8728000       3.780000       1.056000      0.6340000       1.370000
  1 1 1      -1   22    4 o    9.238000      0.3360000       8.993000 0.4679000       9.483000      0.4823000     -0.4902000      0.6719000
  1 1 1      -1   22    5 f    3.090000      0.6403000       3.445000 0.8654000       2.736000      0.9440000      0.7089000       1.281000
  1 1 1      -1   22    6 o    5.354000      0.4463000       5.524000 0.5973000       5.184000      0.6633000      0.3397000      0.8926000
  1 1 1      -1   22    7 o    3.283000      0.5640000       3.011000 0.8197000       3.556000      0.7749000     -0.5448000       1.128000
  1 1 1      -1   22    8 o    4.278000      0.4745000       4.314000 0.6980000       4.242000      0.6429000      0.7179000E-01  0.9490000
  1 1 1      -1   22    9 o    5.304000      0.3674000       5.284000 0.5539000       5.325000      0.4829000     -0.4135000E-01  0.7349000
  1 1 1      -1   22   10 o    6.245000      0.3608000       5.603000 0.5762000       6.887000      0.4343000      -1.284000      0.7216000
  1 1 1      -1   22   11 o    4.992000      0.4030000       4.407000 0.6542000       5.577000      0.4708000      -1.170000      0.8060000
  1 1 1      -1   22   12 o    5.955000      0.3764000       5.263000 0.6157000       6.647000      0.4331000      -1.384000      0.7528000
  1 1 1      -1   22   13 o    6.236000      0.3253000       5.977000 0.5212000       6.495000      0.3893000     -0.5184000      0.6505000
  1 1 1      -1   22   14 o    2.202000      0.5545000       1.785000 0.7843000       2.618000      0.7841000     -0.8331000       1.109000
  1 1 1      -1   22   15 f    2.010000      0.5054000       1.500000 0.7076000       2.521000      0.7218000      -1.021000       1.011000
  1 1 1      -1   22   16 o    2.487000      0.7084000       2.434000 1.020000       2.539000      0.9834000     -0.1046000       1.417000
  1 1 1      -1   22   17 f    3.012000      0.7540000       2.728000 1.087000       3.296000       1.045000     -0.5681000       1.508000
  1 1 1      -1   22   18 o    3.746000      0.5107000       4.824000 0.6248000       2.669000      0.8081000       2.155000       1.021000
  1 1 1      -1   22   19 o    1.889000      0.5622000       1.707000 0.7724000       2.071000      0.8172000     -0.3641000       1.124000
  1 1 1      -1   22   20 o    5.937000      0.3522000       5.810000 0.5212000       6.064000      0.4737000     -0.2544000      0.7043000
  1 1 1      -1   22   21 o    3.667000      0.7627000       4.478000 1.136000       2.857000       1.018000       1.621000       1.525000
  1 1 1      -1   22   22 o    2.920000      0.7684000       3.098000 1.187000       2.743000      0.9757000      0.3548000       1.537000
  1 1 1      -1   22   23 o    5.307000      0.4223000       5.677000 0.5656000       4.937000      0.6272000      0.7404000      0.8446000
  1 1 1      -1   22   24 o    2.760000      0.6176000       2.143000 0.8823000       3.377000      0.8645000      -1.235000       1.235000
  1 1 1      -1   22   25 o    3.842000      0.5964000       4.734000 0.7614000       2.951000      0.9183000       1.783000       1.193000
  1 1 1      -1   22   26 o    2.030000      0.6126000       2.385000 0.9547000       1.674000      0.7679000      0.7111000       1.225000
  1 1 1      -1   22   27 o    2.594000      0.6296000       1.990000 0.8807000       3.197000      0.9000000      -1.207000       1.259000
  1 1 1      -1   22   28 o    2.768000      0.6848000       2.489000 0.9588000       3.047000      0.9782000     -0.5580000       1.370000
  1 1 1      -1   23    1 o    5.145000      0.8118000       5.041000 1.087000       5.250000       1.206000     -0.2097000       1.624000
  1 1 1      -1   23    2 o    7.768000      0.5368000       7.523000 0.7176000       8.013000      0.7985000     -0.4891000       1.074000
  1 1 1      -1   23    3 o    7.803000      0.4511000       6.798000 0.6615000       8.808000      0.6136000      -2.010000      0.9023000
  1 1 1      -1   23    4 o    4.826000      0.5357000       5.552000 0.6211000       4.100000      0.8731000       1.453000       1.071000
  1 1 1      -1   23    5 o    4.880000      0.5738000       5.700000 0.6549000       4.060000      0.9423000       1.640000       1.148000
  1 1 1      -1   23    6 o    5.594000      0.4338000       6.076000 0.5661000       5.112000      0.6575000      0.9642000      0.8676000
  1 1 1      -1   23    7 o    2.765000      0.6620000       2.784000 0.9384000       2.745000      0.9339000      0.3895000E-01   1.324000
  1 1 1      -1   23    8 o    3.312000      0.5570000       3.499000 0.7672000       3.126000      0.8076000      0.3730000       1.114000
  1 1 1      -1   23    9 o    4.770000      0.4727000       4.691000 0.6984000       4.848000      0.6372000     -0.1572000      0.9454000
  1 1 1      -1   23   10 o    8.873000      0.2937000       8.379000 0.4411000       9.367000      0.3878000     -0.9879000      0.5873000
  1 1 1      -1   23   11 o    8.125000      0.3032000       8.503000 0.4484000       7.747000      0.4083000      0.7560000      0.6064000
  1 1 1      -1   23   12 o    7.041000      0.8512000       5.587000 1.511000       8.494000      0.7841000      -2.907000       1.702000
  1 1 1      -1   23   14 o    4.571000      0.8248000       3.271000 1.318000       5.871000      0.9917000      -2.600000       1.650000
  1 1 1      -1   23   15 o    5.506000      0.3868000       5.295000 0.6321000       5.718000      0.4460000     -0.4229000      0.7736000
  1 1 1      -1   23   16 f    5.381000      0.3769000       4.976000 0.6130000       5.785000      0.4388000     -0.8085000      0.7539000
  1 1 1      -1   23   17 o    2.393000      0.6225000       2.644000 0.9307000       2.142000      0.8270000      0.5028000       1.245000
  1 1 1      -1   23   18 o    3.412000      0.6954000       3.391000 1.090000       3.432000      0.8638000     -0.4104000E-01   1.391000
  1 1 1      -1   23   19 o    3.323000      0.6874000       2.633000 1.065000       4.013000      0.8700000      -1.380000       1.375000
  1 1 1      -1   23   20 o    1.880000      0.5780000       2.270000 0.9172000       1.489000      0.7035000      0.7806000       1.156000
  1 1 1      -1   23   21 o    2.511000      0.6443000       2.390000 0.9322000       2.632000      0.8898000     -0.2427000       1.289000
  1 1 1      -1   23   22 o    3.431000      0.6177000       3.729000 0.8687000       3.133000      0.8785000      0.5957000       1.235000
  1 1 1      -1   23   23 o    5.061000      0.4574000       4.883000 0.7058000       5.239000      0.5822000     -0.3562000      0.9149000
  1 1 1      -1   23   24 o    4.097000      0.5718000       4.132000 0.8051000       4.062000      0.8123000      0.7092000E-01   1.144000
  1 1 1      -1   23   25 o    3.315000      0.6713000       3.341000 1.003000       3.289000      0.8928000      0.5230000E-01   1.343000
  1 1 1      -1   23   26 o    2.376000      0.6455000       2.001000 0.9020000       2.752000      0.9236000     -0.7510000       1.291000
  1 1 1      -1   23   27 o    2.863000      0.6813000       2.391000 0.9657000       3.335000      0.9613000     -0.9442000       1.363000
  1 1 1      -1   24    1 o    4.186000      0.8795000       4.035000 1.117000       4.336000       1.359000     -0.3015000       1.759000
  1 1 1      -1   24    2 o    3.950000      0.8393000       3.189000 1.096000       4.710000       1.272000      -1.521000       1.679000
  1 1 1      -1   24    3 o    3.198000      0.7544000       2.471000 0.9806000       3.925000       1.147000      -1.454000       1.509000
  1 1 1      -1   24    4 o    4.385000      0.5913000       4.635000 0.7297000       4.135000      0.9306000      0.4996000       1.183000
  1 1 1      -1   24    5 o    9.779000      0.3780000       9.684000 0.5292000       9.874000      0.5399000     -0.1896000      0.7559000
  1 1 1      -1   24    6 o    7.991000      0.3835000       8.357000 0.5241000       7.624000      0.5599000      0.7336000      0.7669000
  1 1 1      -1   24    7 o    4.280000      0.5160000       3.468000 0.8657000       5.092000      0.5620000      -1.624000       1.032000
  1 1 1      -1   24    8 o    3.070000      0.9686000       2.309000 1.076000       3.830000       1.611000      -1.520000       1.937000
  1 1 1      -1   24    9 f    4.849000       1.060000       4.655000 1.298000       5.043000       1.675000     -0.3880000       2.119000
  1 1 1      -1   24   10 o    3.138000      0.9141000       3.676000 1.357000       2.601000       1.225000       1.075000       1.828000
  1 1 1      -1   24   11 o    4.127000      0.5511000       3.750000 0.8777000       4.504000      0.6665000     -0.7543000       1.102000
  1 1 1      -1   24   12 o    5.658000      0.3732000       6.110000 0.5593000       5.206000      0.4944000      0.9034000      0.7465000
  1 1 1      -1   24   13 o    2.647000      0.6191000       2.789000 0.9150000       2.505000      0.8343000      0.2846000       1.238000
  1 1 1      -1   24   14 o    3.349000      0.6746000       3.951000 0.9607000       2.747000      0.9474000       1.205000       1.349000
  1 1 1      -1   24   15 o    6.900000      0.4326000       6.657000 0.7034000       7.144000      0.5037000     -0.4870000      0.8652000
  1 1 1      -1   24   16 o    5.884000      0.4969000       5.201000 0.8378000       6.567000      0.5345000      -1.366000      0.9937000
  1 1 1      -1   24   17 o    1.650000      0.5393000       1.676000 0.7820000       1.624000      0.7429000      0.5198000E-01   1.079000
  1 1 1      -1   24   18 o    5.995000      0.4122000       5.785000 0.6420000       6.205000      0.5171000     -0.4197000      0.8244000
  1 1 1      -1   24   19 o    2.089000      0.5906000       2.830000 0.9836000       1.349000      0.6539000       1.482000       1.181000
  1 1 1      -1   24   20 o    3.889000      0.6425000       4.803000 0.7361000       2.976000       1.053000       1.827000       1.285000
  1 1 1      -1   24   21 o    4.519000      0.5536000       4.031000 0.9222000       5.007000      0.6128000     -0.9765000       1.107000
  1 1 1      -1   24   22 o    2.572000      0.6670000       2.696000 0.9727000       2.448000      0.9129000      0.2480000       1.334000
  1 1 1      -1   24   23 o    2.671000      0.6331000       3.545000 0.9693000       1.796000      0.8146000       1.749000       1.266000
  1 1 1      -1   24   24 o    2.199000      0.6508000       2.108000 0.9016000       2.290000      0.9387000     -0.1814000       1.302000
  1 1 1      -1   24   25 o    2.921000      0.6982000       3.311000 1.016000       2.532000      0.9580000      0.7790000       1.396000
  1 1 1      -1   24   26 o    2.422000      0.6599000       2.845000 0.9911000       1.999000      0.8716000      0.8455000       1.320000
  1 1 1      -1   25    1 o    3.164000      0.9068000       3.031000 1.199000       3.298000       1.361000     -0.2670000       1.814000
  1 1 1      -1   25    2 o    5.734000       1.037000       4.455000 1.372000       7.014000       1.554000      -2.559000       2.073000
  1 1 1      -1   25    3 o    6.694000      0.9690000       4.860000 1.425000       8.528000       1.313000      -3.668000       1.938000
  1 1 1      -1   25    5 o    5.126000       1.083000       3.425000 1.320000       6.826000       1.717000      -3.401000       2.166000
  1 1 1      -1   25    6 o    5.871000      0.4762000       5.557000 0.6318000       6.185000      0.7127000     -0.6284000      0.9524000
  1 1 1      -1   25    7 o    2.555000      0.6291000       1.973000 0.8413000       3.137000      0.9356000      -1.164000       1.258000
  1 1 1      -1   25    8 o    2.971000      0.5863000       2.139000 0.8599000       3.803000      0.7972000      -1.663000       1.173000
  1 1 1      -1   25    9 o    5.542000      0.4842000       5.320000 0.7349000       5.764000      0.6307000     -0.4441000      0.9685000
  1 1 1      -1   25   10 o    9.071000      0.3599000       8.787000 0.5441000       9.354000      0.4713000     -0.5669000      0.7198000
  1 1 1      -1   25   11 o    4.272000      0.5963000       3.522000 0.9808000       5.022000      0.6785000      -1.500000       1.193000
  1 1 1      -1   25   12 o    4.775000      0.5268000       4.709000 0.8279000       4.841000      0.6516000     -0.1322000       1.054000
  1 1 1      -1   25   13 o    4.435000      0.5088000       4.229000 0.8000000       4.641000      0.6289000     -0.4119000       1.018000
  1 1 1      -1   25   14 o    2.686000      0.6309000       3.121000 0.9453000       2.251000      0.8357000      0.8707000       1.262000
  1 1 1      -1   25   15 o    2.876000      0.6458000       3.237000 0.9770000       2.515000      0.8449000      0.7227000       1.292000
  1 1 1      -1   25   16 o    2.085000      0.6194000       2.161000 0.9238000       2.008000      0.8255000      0.1531000       1.239000
  1 1 1      -1   25   17 o    6.855000      0.3811000       6.776000 0.5798000       6.935000      0.4948000     -0.1587000      0.7622000
  1 1 1      -1   25   18 o    3.048000      0.6224000       4.055000 0.9001000       2.040000      0.8598000       2.015000       1.245000
  1 1 1      -1   25   19 o    2.150000      0.6382000       2.028000 0.8901000       2.271000      0.9149000     -0.2423000       1.276000
  1 1 1      -1   25   20 o    3.004000       1.055000       3.004000 1.055000                  ?              ?              ?              ?
  1 1 1      -1   25   21 o    3.291000      0.7145000       3.329000 1.072000       3.252000      0.9451000      0.7773000E-01   1.429000
  1 1 1      -1   25   22 o    2.294000      0.9178000                  ?       ?   2.294000      0.9178000                  ?              ?
  1 1 1      -1   25   23 o    4.733000      0.5938000       5.678000 0.7432000       3.788000      0.9263000       1.890000       1.188000
  1 1 1      -1   25   24 o    2.177000      0.6405000       1.796000 0.8435000       2.558000      0.9641000     -0.7625000       1.281000
  1 1 1      -1   25   25 o    2.433000      0.6876000       2.544000 1.006000       2.322000      0.9380000      0.2221000       1.375000
  1 1 1      -1   26    1 o    5.561000      0.7523000       5.485000 1.019000       5.638000       1.107000     -0.1529000       1.505000
  1 1 1      -1   26    2 o    4.025000      0.8582000       4.253000 1.154000       3.797000       1.271000      0.4566000       1.716000
  1 1 1      -1   26    3 o    2.569000      0.7393000       2.397000 0.9927000       2.740000       1.096000     -0.3437000       1.479000
  1 1 1      -1   26    4 o    4.461000      0.6339000       4.464000 0.8881000       4.458000      0.9047000      0.6042000E-02   1.268000
  1 1 1      -1   26    5 o    2.492000      0.7033000       2.744000 1.029000       2.241000      0.9587000      0.5025000       1.407000
  1 1 1      -1   26    6 o    6.269000      0.5679000       6.265000 0.7770000       6.273000      0.8284000     -0.8659000E-02   1.136000
  1 1 1      -1   26    7 o    2.638000      0.7129000       2.680000 1.007000       2.596000       1.010000      0.8390000E-01   1.426000
  1 1 1      -1   26    8 o    1.868000      0.5878000       1.703000 0.7923000       2.034000      0.8686000     -0.3309000       1.176000
  1 1 1      -1   26    9 o    10.70000      0.3500000       10.15000 0.5162000       11.26000      0.4728000      -1.109000      0.7000000
  1 1 1      -1   26   10 o    8.646000      0.3859000       7.945000 0.5745000       9.348000      0.5155000      -1.403000      0.7719000
  1 1 1      -1   26   11 o    5.174000      0.5107000       4.986000 0.7739000       5.362000      0.6666000     -0.3756000       1.021000
  1 1 1      -1   26   12 o    1.951000      0.5897000       1.807000 0.8271000       2.096000      0.8408000     -0.2893000       1.179000
  1 1 1      -1   26   13 o    2.234000      0.6170000       2.760000 0.9783000       1.709000      0.7521000       1.051000       1.234000
  1 1 1      -1   26   14 o    3.417000      0.6397000       3.539000 0.9541000       3.295000      0.8525000      0.2438000       1.279000
  1 1 1      -1   26   15 o    2.619000      0.6370000       2.108000 0.9058000       3.131000      0.8958000      -1.023000       1.274000
  1 1 1      -1   26   16 o    5.717000      0.5092000       5.114000 0.8247000       6.319000      0.5974000      -1.205000       1.018000
  1 1 1      -1   26   17 o    2.560000      0.6966000       2.501000 1.005000       2.620000      0.9647000     -0.1187000       1.393000
  1 1 1      -1   26   18 o    2.054000      0.6360000       1.922000 0.8784000       2.187000      0.9200000     -0.2654000       1.272000
  1 1 1      -1   26   19 o    2.707000      0.6864000       2.497000 0.9759000       2.917000      0.9654000     -0.4199000       1.373000
  1 1 1      -1   26   20 o    2.072000      0.6222000       2.777000 1.050000       1.368000      0.6677000       1.409000       1.244000
  1 1 1      -1   26   21 o    3.092000      0.7223000       3.550000 1.072000       2.634000      0.9678000      0.9153000       1.445000
  1 1 1      -1   26   22 o    2.480000      0.9518000                  ?       ?   2.480000      0.9518000                  ?              ?
  1 1 1      -1   26   23 o    2.261000      0.6776000       2.629000 1.051000       1.893000      0.8551000      0.7356000       1.355000
  1 1 1      -1   27    1 o    3.646000      0.9397000       4.091000 1.316000       3.202000       1.342000      0.8892000       1.879000
  1 1 1      -1   27    2 o    2.809000      0.8316000       2.309000 1.053000       3.308000       1.287000     -0.9991000       1.663000
  1 1 1      -1   27    3 o    3.484000      0.7189000       4.124000 0.9115000       2.845000       1.112000       1.279000       1.438000
  1 1 1      -1   27    4 o    2.965000      0.6995000       2.210000 0.9413000       3.720000       1.035000      -1.510000       1.399000
  1 1 1      -1   27    5 o    2.146000      0.6572000       1.835000 0.8446000       2.457000       1.007000     -0.6227000       1.314000
  1 1 1      -1   27    6 o    2.689000      0.6964000       1.880000 0.8602000       3.498000       1.095000      -1.618000       1.393000
  1 1 1      -1   27    7 o    3.404000      0.6970000       2.737000 1.009000       4.071000      0.9620000      -1.334000       1.394000
  1 1 1      -1   27    8 o    2.247000      0.6551000       2.113000 0.9132000       2.381000      0.9393000     -0.2679000       1.310000
  1 1 1      -1   27    9 o    4.423000       1.009000       4.893000 1.413000       3.954000       1.440000      0.9385000       2.017000
  1 1 1      -1   27   10 o    2.768000      0.6724000       3.074000 0.9951000       2.463000      0.9047000      0.6106000       1.345000
  1 1 1      -1   27   11 o    2.442000      0.6616000       2.756000 0.9892000       2.129000      0.8787000      0.6268000       1.323000
  1 1 1      -1   27   12 o    2.568000      0.6798000       2.708000 1.009000       2.428000      0.9119000      0.2791000       1.360000
  1 1 1      -1   27   13 o    3.648000      0.6568000       3.909000 0.9388000       3.388000      0.9187000      0.5209000       1.314000
  1 1 1      -1   27   14 o    3.910000      0.6301000       3.389000 0.9879000       4.432000      0.7825000      -1.044000       1.260000
  1 1 1      -1   27   15 o    3.056000      0.7193000       3.047000 1.048000       3.064000      0.9860000     -0.1698000E-01   1.439000
  1 1 1      -1   27   16 o    3.177000      0.6882000       2.557000 1.016000       3.798000      0.9286000      -1.242000       1.376000
  1 1 1      -1   27   17 o    3.060000      0.7405000       2.909000 1.075000       3.210000       1.018000     -0.3011000       1.481000
  1 1 1      -1   27   18 o    3.075000      0.7201000       3.401000 1.051000       2.750000      0.9842000      0.6512000       1.440000
  1 1 1      -1   27   19 o    3.232000      0.6768000       4.290000 0.9900000       2.174000      0.9230000       2.116000       1.354000
  1 1 1      -1   27   20 o    3.208000      0.7284000       3.542000 1.047000       2.874000       1.013000      0.6683000       1.457000
  1 1 1      -1   27   21 o    2.160000      0.6597000       2.305000 0.9817000       2.015000      0.8816000      0.2893000       1.319000
  1 1 1      -1   27   22 o    2.818000      0.7173000       2.438000 1.019000       3.198000       1.010000     -0.7599000       1.435000
  1 1 1      -1   28    1 o    2.582000      0.7568000       2.428000 1.010000       2.737000       1.128000     -0.3086000       1.514000
  1 1 1      -1   28    2 o    4.069000      0.9098000       4.255000 1.157000       3.883000       1.405000      0.3715000       1.820000
  1 1 1      -1   28    3 o    4.558000      0.7226000       4.500000 0.9867000       4.616000       1.056000     -0.1156000       1.445000
  1 1 1      -1   28    4 o    3.366000      0.7637000       3.784000 1.064000       2.947000       1.096000      0.8368000       1.527000
  1 1 1      -1   28    5 o    2.523000      0.7205000       2.184000 0.9614000       2.862000       1.074000     -0.6776000       1.441000
  1 1 1      -1   28    6 o    2.346000      0.7040000       1.968000 0.9077000       2.724000       1.076000     -0.7564000       1.408000
  1 1 1      -1   28    7 o    3.712000      0.8227000       3.459000 1.173000       3.965000       1.154000     -0.5055000       1.645000
  1 1 1      -1   28    8 o    4.768000      0.6109000       3.998000 0.9907000       5.538000      0.7152000      -1.540000       1.222000
  1 1 1      -1   28    9 o    4.468000      0.6243000       4.180000 0.9471000       4.755000      0.8135000     -0.5750000       1.249000
  1 1 1      -1   28   10 o    2.752000      0.6549000       1.952000 0.8867000       3.553000      0.9642000      -1.600000       1.310000
  1 1 1      -1   28   11 o    5.015000      0.5660000       5.138000 0.8492000       4.891000      0.7486000      0.2466000       1.132000
  1 1 1      -1   28   12 o    4.742000      0.5996000       4.433000 0.9544000       5.051000      0.7261000     -0.6179000       1.199000
  1 1 1      -1   28   13 o    4.934000      0.5920000       3.971000 1.002000       5.897000      0.6309000      -1.925000       1.184000
  1 1 1      -1   28   14 f    3.781000      0.6501000       3.656000 1.003000       3.906000      0.8274000     -0.2499000       1.300000
  1 1 1      -1   28   15 o    5.035000      0.5611000       4.294000 0.9350000       5.776000      0.6207000      -1.482000       1.122000
  1 1 1      -1   28   16 o    3.406000      0.6476000       2.423000 1.003000       4.389000      0.8197000      -1.965000       1.295000
  1 1 1      -1   28   17 f    2.656000      0.6909000       3.330000 1.065000       1.982000      0.8800000       1.348000       1.382000
  1 1 1      -1   28   18 o    2.082000      0.6562000       2.071000 0.9332000       2.094000      0.9228000     -0.2257000E-01   1.312000
  1 1 1      -1   28   19 o    2.941000      0.7288000       2.446000 1.025000       3.436000       1.037000     -0.9899000       1.458000
  1 1 1      -1   28   20 o    2.220000      0.6494000       1.751000 0.8272000       2.689000       1.001000     -0.9379000       1.299000
  1 1 1      -1   29    1 o    4.208000      0.8262000       3.614000 1.151000       4.801000       1.186000      -1.187000       1.652000
  1 1 1      -1   29    2 o    4.711000      0.8005000       4.235000 1.139000       5.186000       1.125000     -0.9504000       1.601000
  1 1 1      -1   29    3 o    3.094000      0.8188000       3.136000 1.156000       3.053000       1.160000      0.8308000E-01   1.638000
  1 1 1      -1   29    4 o    1.991000      0.6539000       2.188000 0.9842000       1.794000      0.8611000      0.3946000       1.308000
  1 1 1      -1   29    5 o    2.560000      0.7347000       2.056000 0.9475000       3.064000       1.123000      -1.008000       1.469000
  1 1 1      -1   29    6 o    5.188000      0.6748000       5.950000 0.8221000       4.427000       1.070000       1.523000       1.350000
  1 1 1      -1   29    7 o    4.345000      0.7307000       3.960000 1.103000       4.729000      0.9584000     -0.7685000       1.461000
  1 1 1      -1   29    8 o    5.309000      0.6287000       4.247000 1.043000       6.370000      0.7027000      -2.123000       1.257000
  1 1 1      -1   29    9 o    2.219000      0.6670000       2.688000 1.048000       1.750000      0.8258000      0.9374000       1.334000
  1 1 1      -1   29   10 o    4.367000      0.6543000       2.901000 1.093000       5.834000      0.7193000      -2.933000       1.309000
  1 1 1      -1   29   11 o    3.964000      0.7180000       3.480000 1.110000       4.448000      0.9106000     -0.9680000       1.436000
  1 1 1      -1   29   12 o    3.168000      0.7796000       3.311000 1.122000       3.025000       1.083000      0.2855000       1.559000
  1 1 1      -1   29   13 o    4.259000      0.7047000       3.705000 1.113000       4.813000      0.8649000      -1.107000       1.409000
  1 1 1      -1   29   14 o    2.581000      0.7309000       2.582000 1.051000       2.581000       1.016000      0.1262000E-02   1.462000
  1 1 1      -1   29   15 o    3.032000      0.7155000       3.858000 1.070000       2.206000      0.9503000       1.651000       1.431000
  1 1 1      -1   29   16 o    2.073000      0.6525000       2.081000 0.9325000       2.065000      0.9130000      0.1537000E-01   1.305000
  1 1 1      -1   29   17 f    2.446000      0.7066000       1.986000 0.9222000       2.906000       1.071000     -0.9205000       1.413000
  1 1 1      -1   29   18 o    3.055000      0.7682000       3.252000 1.128000       2.859000       1.043000      0.3928000       1.536000
  1 1 1      -1   30    1 o    2.715000      0.7929000       2.204000 0.9952000       3.226000       1.235000      -1.022000       1.586000
  1 1 1      -1   30    2 o    2.310000      0.7239000       1.898000 0.8983000       2.721000       1.135000     -0.8229000       1.448000
  1 1 1      -1   30    3 o    4.197000      0.8013000       3.789000 1.210000       4.604000       1.051000     -0.8155000       1.603000
  1 1 1      -1   30    4 o    4.584000      0.7674000       3.975000 1.174000       5.193000      0.9882000      -1.219000       1.535000
  1 1 1      -1   30    5 o    3.600000      0.8309000       3.218000 1.184000       3.982000       1.166000     -0.7639000       1.662000
  1 1 1      -1   30    6 o    6.846000      0.6111000       6.479000 0.8722000       7.213000      0.8561000     -0.7339000       1.222000
  1 1 1      -1   30    7 o    3.067000      0.8061000       3.019000 1.169000       3.115000       1.111000     -0.9551000E-01   1.612000
  1 1 1      -1   30    8 o    2.372000      0.7371000       2.297000 1.044000       2.447000       1.041000     -0.1496000       1.474000
  1 1 1      -1   30    9 o    3.996000      0.7360000       3.478000 1.113000       4.514000      0.9627000      -1.036000       1.472000
  1 1 1      -1   30   10 o    4.149000      0.7490000       3.886000 1.106000       4.412000       1.011000     -0.5252000       1.498000
  1 1 1      -1   30   11 o    5.015000      0.6374000       5.253000 0.8964000       4.777000      0.9064000      0.4766000       1.275000
  1 1 1      -1   30   12 o    4.702000      0.7035000       4.265000 1.074000       5.140000      0.9092000     -0.8755000       1.407000
  1 1 1      -1   30   13 o    3.475000      0.7621000       3.883000 1.099000       3.068000       1.056000      0.8157000       1.524000
  1 1 1      -1   30   14 o    2.330000      0.7011000       2.540000 1.057000       2.120000      0.9208000      0.4203000       1.402000
  1 1 1      -1   30   15 o    2.187000      0.6798000       2.264000 0.9850000       2.111000      0.9373000      0.1522000       1.360000
  1 1 1      -1   30   16 o    2.232000      0.6915000       2.492000 1.046000       1.971000      0.9045000      0.5211000       1.383000
  1 1 1      -1   31    1 o    2.471000      0.7515000       2.686000 1.091000       2.257000       1.034000      0.4287000       1.503000
  1 1 1      -1   31    2 o    3.189000      0.7941000       2.882000 1.084000       3.495000       1.160000     -0.6124000       1.588000
  1 1 1      -1   31    3 o    3.485000      0.8433000       2.854000 1.143000       4.117000       1.240000      -1.263000       1.687000
  1 1 1      -1   31    4 o    2.054000      0.6756000       2.119000 0.9760000       1.988000      0.9344000      0.1317000       1.351000
  1 1 1      -1   31    5 o    3.955000      0.8281000       4.511000 1.158000       3.398000       1.185000       1.114000       1.656000
  1 1 1      -1   31    6 o    4.058000      0.8300000       4.537000 1.172000       3.580000       1.176000      0.9575000       1.660000
  1 1 1      -1   31    7 o    3.184000      0.8361000       3.325000 1.206000       3.043000       1.158000      0.2820000       1.672000
  1 1 1      -1   31    8 o    2.092000      0.6723000       2.453000 1.056000       1.731000      0.8322000      0.7221000       1.345000
  1 1 1      -1   31    9 o    2.714000      0.7687000       2.063000 0.9768000       3.366000       1.187000      -1.303000       1.537000
  1 1 1      -1   31   10 o    2.407000      0.7270000       2.370000 1.033000       2.445000       1.023000     -0.7415000E-01   1.454000
  1 1 1      -1   31   11 o    3.461000      0.7705000       3.942000 1.080000       2.980000       1.099000      0.9622000       1.541000
  1 1 1      -1   31   12 o    3.911000      0.7585000       4.898000 1.018000       2.923000       1.125000       1.975000       1.517000
  1 1 1      -1   31   13 o    2.869000      0.7893000       2.856000 1.131000       2.882000       1.101000     -0.2644000E-01   1.579000
  1 1 1      -1   32    1 o    4.147000      0.8411000       3.806000 1.187000       4.489000       1.192000     -0.6830000       1.682000
  1 1 1      -1   32    2 o    2.195000      0.7006000       1.858000 0.8879000       2.532000       1.084000     -0.6743000       1.401000
  1 1 1      -1   32    3 o    2.354000      0.7306000       2.622000 1.106000       2.086000      0.9545000      0.5355000       1.461000
  1 1 1      -1   32    4 o    2.735000      0.7583000       2.228000 1.006000       3.243000       1.135000      -1.015000       1.517000
  1 1 1      -1   32    5 o    3.459000      0.7614000       2.393000 1.050000       4.525000       1.103000      -2.133000       1.523000
  1 1 1      -1   32    6 o    4.404000      0.8243000       4.090000 1.230000       4.718000       1.097000     -0.6286000       1.649000
  1 1 1      -1   32    7 o    2.332000      0.7430000       2.476000 1.101000       2.188000      0.9978000      0.2876000       1.486000
  1 1 1      -1   32    8 o    2.911000      0.7940000       3.251000 1.171000       2.571000       1.072000      0.6799000       1.588000
  1 1 1      -1   32    9 o    2.895000      0.7692000       2.324000 1.033000       3.466000       1.140000      -1.142000       1.538000
  1 1 1      -1   32   10 o    3.605000      0.9825000       2.350000 0.9777000       4.861000       1.704000      -2.511000       1.965000
  1 1 1      -1   33    1 o    2.939000      0.7179000       4.044000 1.131000       1.835000      0.8845000       2.209000       1.436000
  1 1 1      -1   33    2 o    3.438000      0.8084000       3.615000 1.149000       3.260000       1.137000      0.3545000       1.617000
  1 1 1      -1   33    3 o    2.227000      0.7648000       1.994000 0.9809000       2.460000       1.174000     -0.4660000       1.530000
  1 1 1       0  -33    1 o    2.960000      0.7594000       2.348000 1.036000       3.573000       1.110000      -1.225000       1.519000
  1 1 1       0  -33    2 o    2.295000      0.7077000       2.809000 1.137000       1.780000      0.8427000       1.030000       1.415000
  1 1 1       0  -33    3 o    2.663000      0.7689000       2.550000 1.092000       2.776000       1.083000     -0.2267000       1.538000
  1 1 1       0  -33    4 o    3.139000      0.8004000       3.598000 1.200000       2.681000       1.060000      0.9175000       1.601000
  1 1 1       0  -33    5 o    2.509000      0.7507000       2.663000 1.114000       2.355000       1.007000      0.3081000       1.501000
  1 1 1       0  -33    6 o    1.795000      0.8661000       1.795000 0.8661000                  ?              ?              ?              ?
  1 1 1       0  -32    1 o    3.826000      0.8285000       3.946000 1.200000       3.707000       1.143000      0.2394000       1.657000
  1 1 1       0  -32    2 o    2.824000      0.7977000       2.697000 1.150000       2.951000       1.105000     -0.2543000       1.595000
  1 1 1       0  -32    3 o    2.200000      0.7135000       2.396000 1.080000       2.005000      0.9329000      0.3913000       1.427000
  1 1 1       0  -32    4 o    2.837000      0.8044000       2.717000 1.147000       2.957000       1.128000     -0.2404000       1.609000
  1 1 1       0  -32    5 o    2.661000      0.7771000       2.732000 1.123000       2.591000       1.074000      0.1405000       1.554000
  1 1 1       0  -32    6 o    2.480000      0.7201000       2.067000 0.9648000       2.894000       1.069000     -0.8271000       1.440000
  1 1 1       0  -32    7 o    2.580000      0.7371000       2.603000 1.074000       2.558000       1.010000      0.4466000E-01   1.474000
  1 1 1       0  -32    8 o    2.163000      0.7000000       2.000000 0.9642000       2.326000       1.015000     -0.3263000       1.400000
  1 1 1       0  -32    9 o    2.170000      0.6935000       2.317000 1.041000       2.023000      0.9168000      0.2942000       1.387000
  1 1 1       0  -32   10 o    2.851000      0.7835000       2.791000 1.155000       2.911000       1.059000     -0.1201000       1.567000
  1 1 1       0  -32   11 o    1.793000      0.6123000       1.974000 0.9457000       1.613000      0.7779000      0.3611000       1.225000
  1 1 1       0  -31    1 o    3.063000      0.8254000       3.337000 1.236000       2.789000       1.094000      0.5487000       1.651000
  1 1 1       0  -31    2 o    4.678000      0.7650000       4.222000 1.217000       5.135000      0.9270000     -0.9128000       1.530000
  1 1 1       0  -31    3 o    3.870000      0.8611000       4.276000 1.255000       3.464000       1.179000      0.8124000       1.722000
  1 1 1       0  -31    4 f    4.801000      0.7527000       6.140000 0.9396000       3.462000       1.176000       2.678000       1.505000
  1 1 1       0  -31    5 o    2.657000      0.7728000       2.332000 1.059000       2.981000       1.126000     -0.6488000       1.546000
  1 1 1       0  -31    6 o    1.781000      0.6088000       1.897000 0.9086000       1.664000      0.8106000      0.2327000       1.218000
  1 1 1       0  -31    7 o    3.008000      0.8882000       3.147000 1.417000       2.868000       1.071000      0.2788000       1.776000
  1 1 1       0  -31    8 o    7.050000      0.5032000       6.869000 0.7787000       7.230000      0.6375000     -0.3607000       1.006000
  1 1 1       0  -31    9 o    6.065000      0.6024000       5.364000 1.002000       6.766000      0.6685000      -1.402000       1.205000
  1 1 1       0  -31   10 o    4.142000      0.9713000       4.551000 1.144000       3.734000       1.570000      0.8169000       1.943000
  1 1 1       0  -31   11 o    2.750000      0.6902000       1.995000 0.9297000       3.504000       1.020000      -1.509000       1.380000
  1 1 1       0  -31   12 o    2.758000      0.7176000       2.074000 0.9699000       3.442000       1.058000      -1.369000       1.435000
  1 1 1       0  -31   13 o    2.425000      0.7261000       2.940000 1.164000       1.911000      0.8685000       1.029000       1.452000
  1 1 1       0  -31   14 o    2.092000      0.6697000       2.258000 1.011000       1.926000      0.8789000      0.3319000       1.339000
  1 1 1       0  -30    1 o    2.696000      0.8096000       3.172000 1.265000       2.220000       1.011000      0.9521000       1.619000
  1 1 1       0  -30    2 o    3.660000      0.8221000       3.990000 1.186000       3.331000       1.139000      0.6591000       1.644000
  1 1 1       0  -30    3 o    2.964000      0.8106000       2.983000 1.166000       2.945000       1.127000      0.3819000E-01   1.621000
  1 1 1       0  -30    4 o    2.784000      0.7754000       2.609000 1.076000       2.959000       1.117000     -0.3496000       1.551000
  1 1 1       0  -30    5 o    2.962000      0.8171000       2.900000 1.150000       3.024000       1.161000     -0.1248000       1.634000
  1 1 1       0  -30    6 o    2.635000      0.7637000       2.469000 1.063000       2.801000       1.096000     -0.3324000       1.527000
  1 1 1       0  -30    7 o    3.849000       1.210000       3.849000 1.210000                  ?              ?              ?              ?
  1 1 1       0  -30    8 o    3.718000      0.7516000       4.414000 1.069000       3.021000       1.057000       1.392000       1.503000
  1 1 1       0  -30    9 o    3.616000       1.043000                  ?       ?   3.616000       1.043000                  ?              ?
  1 1 1       0  -30   10 o    1.986000      0.6409000       2.099000 0.9637000       1.874000      0.8452000      0.2249000       1.282000
  1 1 1       0  -30   11 o    2.934000      0.7402000       2.771000 1.079000       3.096000       1.013000     -0.3250000       1.480000
  1 1 1       0  -30   12 o    2.883000      0.6528000       1.896000 0.8922000       3.870000      0.9531000      -1.974000       1.306000
  1 1 1       0  -30   13 o    2.353000      0.7027000       2.596000 1.089000       2.110000      0.8884000      0.4863000       1.405000
  1 1 1       0  -30   14 o    2.840000      0.7364000       2.738000 1.106000       2.941000      0.9722000     -0.2032000       1.473000
  1 1 1       0  -30   15 o    3.099000      0.7447000       2.892000 1.109000       3.307000      0.9940000     -0.4152000       1.489000
  1 1 1       0  -30   16 o    3.047000      0.7683000       3.600000 1.164000       2.494000       1.004000       1.106000       1.537000
  1 1 1       0  -29    1 o    2.676000      0.7604000       3.344000 1.214000       2.009000      0.9164000       1.335000       1.521000
  1 1 1       0  -29    2 o    2.700000      0.7565000       3.136000 1.141000       2.265000      0.9932000      0.8711000       1.513000
  1 1 1       0  -29    3 o    3.105000      0.7660000       2.534000 1.058000       3.676000       1.108000      -1.142000       1.532000
  1 1 1       0  -29    4 o    3.698000      0.7395000       3.061000 1.089000       4.334000       1.001000      -1.273000       1.479000
  1 1 1       0  -29    5 o    2.410000      0.7136000       2.517000 1.042000       2.302000      0.9751000      0.2147000       1.427000
  1 1 1       0  -29    6 o    2.704000      0.7388000       3.125000 1.110000       2.283000      0.9750000      0.8426000       1.478000
  1 1 1       0  -29    7 o    5.299000      0.8158000       5.299000 0.8158000                  ?              ?              ?              ?
  1 1 1       0  -29    8 o    3.894000      0.6673000       3.009000 1.066000       4.778000      0.8033000      -1.769000       1.335000
  1 1 1       0  -29    9 o    6.202000      0.6510000                  ?       ?   6.202000      0.6510000                  ?              ?
  1 1 1       0  -29   10 o    2.669000      0.7210000       2.630000 1.076000       2.708000      0.9596000     -0.7864000E-01   1.442000
  1 1 1       0  -29   11 o    4.943000      0.5954000       4.922000 0.9470000       4.963000      0.7219000     -0.4056000E-01   1.191000
  1 1 1       0  -29   12 o    4.540000      0.6788000       3.863000 1.184000       5.217000      0.6646000      -1.354000       1.358000
  1 1 1       0  -29   13 o    3.354000      0.6988000       2.776000 1.071000       3.931000      0.8985000      -1.155000       1.398000
  1 1 1       0  -29   14 o    4.856000      0.6090000       4.802000 0.9893000       4.909000      0.7106000     -0.1069000       1.218000
  1 1 1       0  -29   15 o    2.622000      0.7233000       2.996000 1.123000       2.248000      0.9119000      0.7483000       1.447000
  1 1 1       0  -29   16 o    2.370000      0.7044000       2.547000 1.052000       2.192000      0.9372000      0.3549000       1.409000
  1 1 1       0  -29   17 f    2.111000      0.6524000       2.354000 1.003000       1.868000      0.8342000      0.4865000       1.305000
  1 1 1       0  -29   18 o    2.255000      0.6781000       2.502000 1.024000       2.009000      0.8893000      0.4934000       1.356000
  1 1 1       0  -29   19 o    2.567000      0.7833000       3.008000 1.199000       2.127000       1.008000      0.8814000       1.567000
  1 1 1       0  -28    1 o    2.027000      0.6717000       1.868000 0.9004000       2.185000      0.9969000     -0.3177000       1.343000
  1 1 1       0  -28    2 o    3.491000      0.6441000       4.604000 0.8075000       2.379000       1.004000       2.226000       1.288000
  1 1 1       0  -28    3 o    2.543000      0.8002000       2.975000 1.316000       2.112000      0.9102000      0.8631000       1.600000
  1 1 1       0  -28    4 o    2.737000      0.8914000       2.854000 1.282000       2.621000       1.239000      0.2326000       1.783000
  1 1 1       0  -28    5 o    3.513000      0.9906000       2.832000 1.259000       4.194000       1.529000      -1.362000       1.981000
  1 1 1       0  -28    7 o    3.697000       1.053000       3.340000 1.427000       4.055000       1.550000     -0.7149000       2.107000
  1 1 1       0  -28    8 o    2.699000      0.8874000       3.060000 1.358000       2.337000       1.143000      0.7235000       1.775000
  1 1 1       0  -28    9 o    3.369000       1.016000       2.719000 1.264000       4.018000       1.590000      -1.299000       2.031000
  1 1 1       0  -28   10 o    4.070000       1.116000       3.874000 1.526000       4.266000       1.630000     -0.3921000       2.232000
  1 1 1       0  -28   11 o    3.724000       1.571000                  ?       ?   3.724000       1.571000                  ?              ?
  1 1 1       0  -28   12 o    4.528000      0.9832000       4.892000 1.329000       4.165000       1.449000      0.7274000       1.966000
  1 1 1       0  -28   13 o    2.879000      0.8814000       2.889000 1.235000       2.869000       1.258000      0.1930000E-01   1.763000
  1 1 1       0  -28   14 o    4.875000      0.9520000       5.487000 1.254000       4.263000       1.433000       1.224000       1.904000
  1 1 1       0  -28   15 o    3.622000      0.9258000       2.847000 1.231000       4.397000       1.383000      -1.550000       1.852000
  1 1 1       0  -28   16 o    2.823000      0.7999000       3.333000 1.317000       2.313000      0.9081000       1.020000       1.600000
  1 1 1       0  -28   17 o    5.951000      0.4833000       5.063000 0.8104000       6.838000      0.5270000      -1.775000      0.9667000
  1 1 1       0  -28   18 o    3.381000      0.6750000       2.757000 1.036000       4.005000      0.8660000      -1.247000       1.350000
  1 1 1       0  -28   19 o    2.739000      0.6858000       2.500000 0.9676000       2.978000      0.9721000     -0.4776000       1.372000
  1 1 1       0  -28   20 o    2.354000      0.6623000       2.103000 0.9120000       2.604000      0.9606000     -0.5011000       1.325000
  1 1 1       0  -27    1 o    2.751000      0.7547000       3.355000 1.121000       2.147000       1.011000       1.207000       1.509000
  1 1 1       0  -27    2 o    3.323000      0.6621000       1.860000 0.8676000       4.787000       1.000000      -2.927000       1.324000
  1 1 1       0  -27    3 o    4.057000      0.6219000       3.236000 0.9404000       4.877000      0.8140000      -1.641000       1.244000
  1 1 1       0  -27    4 o    6.066000      0.5050000       6.285000 0.7077000       5.848000      0.7205000      0.4370000       1.010000
  1 1 1       0  -27    5 o    7.521000      0.3975000       7.488000 0.5817000       7.555000      0.5418000     -0.6641000E-01  0.7949000
  1 1 1       0  -27    6 o    4.305000      0.5835000       3.353000 0.9560000       5.257000      0.6694000      -1.904000       1.167000
  1 1 1       0  -27    7 o    3.967000      0.5245000       3.946000 0.7586000       3.989000      0.7247000     -0.4278000E-01   1.049000
  1 1 1       0  -27    8 o    6.488000      0.4063000       6.555000 0.6188000       6.421000      0.5268000      0.1344000      0.8127000
  1 1 1       0  -27    9 o    8.373000      0.3377000       8.343000 0.5295000       8.403000      0.4193000     -0.6052000E-01  0.6754000
  1 1 1       0  -27   10 o    2.916000      0.6370000       2.727000 0.9544000       3.106000      0.8438000     -0.3793000       1.274000
  1 1 1       0  -27   11 o    2.928000      0.6321000       3.283000 0.9369000       2.573000      0.8487000      0.7098000       1.264000
  1 1 1       0  -27   12 o    5.877000      0.3779000       5.894000 0.5887000       5.860000      0.4739000      0.3328000E-01  0.7558000
  1 1 1       0  -27   13 o    2.114000      0.5820000       1.737000 0.8070000       2.492000      0.8389000     -0.7554000       1.164000
  1 1 1       0  -27   14 o    2.592000      0.6603000       2.655000 0.9850000       2.529000      0.8795000      0.1255000       1.321000
  1 1 1       0  -27   15 o    4.462000      0.5713000       4.250000 0.9176000       4.673000      0.6809000     -0.4222000       1.143000
  1 1 1       0  -27   16 o    6.579000      0.3708000       6.454000 0.5829000       6.704000      0.4584000     -0.2506000      0.7416000
  1 1 1       0  -27   17 o    5.443000      0.4356000       5.549000 0.6715000       5.336000      0.5550000      0.2127000      0.8712000
  1 1 1       0  -27   18 o    2.299000      0.6269000       1.882000 0.8455000       2.715000      0.9259000     -0.8337000       1.254000
  1 1 1       0  -27   19 o    3.189000      0.7665000       2.429000 0.9580000       3.949000       1.197000      -1.521000       1.533000
  1 1 1       0  -27   20 o    7.002000      0.5429000       6.826000 0.7428000       7.179000      0.7918000     -0.3524000       1.086000
  1 1 1       0  -27   21 o    2.487000      0.7450000       2.029000 0.9209000       2.945000       1.171000     -0.9158000       1.490000
  1 1 1       0  -27   22 o    2.989000      0.7753000       2.439000 1.004000       3.539000       1.182000      -1.100000       1.551000
  1 1 1       0  -26    1 o    3.688000      0.9178000       3.542000 1.224000       3.835000       1.368000     -0.2927000       1.836000
  1 1 1       0  -26    2 o    7.736000      0.5300000       8.306000 0.6542000       7.166000      0.8341000       1.140000       1.060000
  1 1 1       0  -26    3 o    7.980000      0.4121000       8.381000 0.5509000       7.579000      0.6131000      0.8022000      0.8243000
  1 1 1       0  -26    4 o    2.919000      0.7402000       2.849000 1.030000       2.988000       1.063000     -0.1396000       1.480000
  1 1 1       0  -26    5 o    3.410000      0.6906000       3.451000 0.9691000       3.370000      0.9842000      0.8139000E-01   1.381000
  1 1 1       0  -26    6 o    3.568000      0.6146000       3.661000 0.8354000       3.475000      0.9016000      0.1858000       1.229000
  1 1 1       0  -26    7 o    1.807000      0.5382000       2.085000 0.8121000       1.529000      0.7065000      0.5558000       1.076000
  1 1 1       0  -26    9 o    3.902000      0.5318000       3.981000 0.7706000       3.823000      0.7330000      0.1578000       1.064000
  1 1 1       0  -26   10 o    7.691000      0.4127000                  ?       ?   7.691000      0.4127000                  ?              ?
  1 1 1       0  -26   11 f    7.645000      0.3221000       7.917000 0.5038000       7.373000      0.4013000      0.5440000      0.6441000
  1 1 1       0  -26   12 o    5.845000      0.4329000       5.227000 0.7382000       6.464000      0.4526000      -1.237000      0.8659000
  1 1 1       0  -26   13 o    2.453000      0.6442000       2.376000 0.9863000       2.530000      0.8288000     -0.1535000       1.288000
  1 1 1       0  -26   14 o    7.199000      0.4026000       6.725000 0.6683000       7.673000      0.4492000     -0.9484000      0.8053000
  1 1 1       0  -26   15 o    8.399000      0.3801000       7.786000 0.6344000       9.012000      0.4188000      -1.226000      0.7602000
  1 1 1       0  -26   16 o    3.107000      0.6645000       2.900000 1.045000       3.314000      0.8207000     -0.4137000       1.329000
  1 1 1       0  -26   17 f    2.998000      0.6979000       3.427000 1.083000       2.569000      0.8805000      0.8583000       1.396000
  1 1 1       0  -26   18 o    3.254000      0.6797000       2.550000 1.066000       3.958000      0.8431000      -1.409000       1.359000
  1 1 1       0  -26   19 o    6.041000      0.6042000       5.648000 1.037000       6.433000      0.6208000     -0.7852000       1.208000
  1 1 1       0  -26   20 o    3.479000      0.6500000       3.308000 0.9728000       3.651000      0.8624000     -0.3430000       1.300000
  1 1 1       0  -26   21 o    2.979000      0.6436000       2.620000 0.9453000       3.339000      0.8736000     -0.7190000       1.287000
  1 1 1       0  -26   22 o    2.843000      0.6391000       2.793000 0.8969000       2.893000      0.9107000     -0.9983000E-01   1.278000
  1 1 1       0  -26   23 o    4.625000      0.5002000       4.428000 0.7476000       4.823000      0.6647000     -0.3942000       1.000000
  1 1 1       0  -26   24 o    4.824000       1.145000       4.824000 1.145000                  ?              ?              ?              ?
  1 1 1       0  -25    1 o    4.629000      0.8776000       4.136000 1.194000       5.123000       1.286000     -0.9869000       1.755000
  1 1 1       0  -25    2 o    4.110000      0.7737000       3.755000 1.073000       4.465000       1.115000     -0.7104000       1.547000
  1 1 1       0  -25    3 o    4.693000      0.6306000       4.342000 0.9029000       5.043000      0.8805000     -0.7013000       1.261000
  1 1 1       0  -25    4 o    5.357000      0.4994000       5.894000 0.6047000       4.819000      0.7951000       1.075000      0.9989000
  1 1 1       0  -25    5 o    2.943000      0.6824000       2.832000 0.9361000       3.055000      0.9931000     -0.2234000       1.365000
  1 1 1       0  -25    6 o    5.295000      0.4291000       4.969000 0.6436000       5.621000      0.5678000     -0.6519000      0.8583000
  1 1 1       0  -25    7 o    5.569000      0.3560000       5.247000 0.5419000       5.892000      0.4619000     -0.6452000      0.7120000
  1 1 1       0  -25    9 o    9.751000      0.2836000       9.787000 0.4391000       9.715000      0.3592000      0.7149000E-01  0.5673000
  1 1 1       0  -25   10 o    8.913000      0.3451000                  ?       ?   8.913000      0.3451000                  ?              ?
  1 1 1       0  -25   11 o    3.397000      0.5375000       3.495000 0.8656000       3.299000      0.6373000      0.1961000       1.075000
  1 1 1       0  -25   12 f    2.817000      0.5851000       3.352000 0.8886000       2.281000      0.7615000       1.071000       1.170000
  1 1 1       0  -25   13 o    2.719000      0.6054000       2.645000 0.9366000       2.793000      0.7674000     -0.1481000       1.211000
  1 1 1       0  -25   14 f    4.501000      0.4425000       4.243000 0.7321000       4.760000      0.4974000     -0.5173000      0.8851000
  1 1 1       0  -25   15 o    1.983000      0.5326000       1.823000 0.7802000       2.144000      0.7251000     -0.3216000       1.065000
  1 1 1       0  -25   16 o    2.348000      0.5740000       2.177000 0.8353000       2.519000      0.7874000     -0.3421000       1.148000
  1 1 1       0  -25   17 f    5.136000      0.3830000       4.850000 0.5921000       5.423000      0.4860000     -0.5726000      0.7660000
  1 1 1       0  -25   18 o    2.085000      0.5710000       1.802000 0.7832000       2.368000      0.8313000     -0.5663000       1.142000
  1 1 1       0  -25   19 o    2.025000      0.5751000       1.734000 0.7808000       2.317000      0.8446000     -0.5839000       1.150000
  1 1 1       0  -25   20 o    2.731000      0.5898000       2.310000 0.8804000       3.151000      0.7852000     -0.8409000       1.180000
  1 1 1       0  -25   21 o    3.448000      0.4852000       2.343000 0.8059000       4.553000      0.5406000      -2.210000      0.9704000
  1 1 1       0  -25   22 o    2.352000      0.7202000       3.060000 1.216000       1.645000      0.7718000       1.415000       1.440000
  1 1 1       0  -25   23 o    2.974000      0.7490000       2.513000 1.100000       3.435000       1.017000     -0.9215000       1.498000
  1 1 1       0  -25   24 o    2.821000      0.7745000       2.783000 1.132000       2.860000       1.057000     -0.7663000E-01   1.549000
  1 1 1       0  -25   25 o    2.128000      0.6908000       2.201000 1.026000       2.054000      0.9251000      0.1469000       1.382000
  1 1 1       0  -24    1 o    2.928000      0.8275000       2.887000 1.108000       2.969000       1.229000     -0.8254000E-01   1.655000
  1 1 1       0  -24    2 o    2.380000      0.7245000       1.998000 0.9227000       2.763000       1.117000     -0.7652000       1.449000
  1 1 1       0  -24    3 o    4.093000      0.5908000       3.508000 0.8835000       4.679000      0.7845000      -1.172000       1.182000
  1 1 1       0  -24    4 o    1.992000      0.5789000       2.333000 0.8662000       1.651000      0.7683000      0.6820000       1.158000
  1 1 1       0  -24    5 o    5.353000      0.4166000       4.988000 0.6025000       5.717000      0.5756000     -0.7286000      0.8333000
  1 1 1       0  -24    6 o    6.705000      0.3377000       6.351000 0.5116000       7.059000      0.4411000     -0.7077000      0.6755000
  1 1 1       0  -24    7 o    4.628000      0.3953000       4.658000 0.5742000       4.599000      0.5436000      0.5928000E-01  0.7907000
  1 1 1       0  -24    8 o    2.031000      0.5383000       1.625000 0.7218000       2.437000      0.7988000     -0.8121000       1.077000
  1 1 1       0  -24    9 o    2.103000      0.5374000       1.842000 0.7535000       2.365000      0.7666000     -0.5232000       1.075000
  1 1 1       0  -24   10 o    4.636000      0.3649000       4.549000 0.5952000       4.722000      0.4223000     -0.1737000      0.7298000
  1 1 1       0  -24   11 o    1.598000      0.4870000       1.503000 0.7024000       1.693000      0.6748000     -0.1903000      0.9740000
  1 1 1       0  -24   12 o    2.148000      0.5491000       2.202000 0.8450000       2.094000      0.7014000      0.1078000       1.098000
  1 1 1       0  -24   13 o    2.252000      0.5454000       2.911000 0.8566000       1.592000      0.6754000       1.319000       1.091000
  1 1 1       0  -24   14 o    2.534000      0.4912000       3.519000 0.7208000       1.549000      0.6675000       1.970000      0.9825000
  1 1 1       0  -24   15 o    3.339000      0.4908000       2.936000 0.8078000       3.741000      0.5578000     -0.8045000      0.9817000
  1 1 1       0  -24   16 o    4.261000      0.4405000       4.203000 0.7257000       4.318000      0.4996000     -0.1149000      0.8810000
  1 1 1       0  -24   17 f    6.862000      0.2897000       6.768000 0.4557000       6.956000      0.3580000     -0.1883000      0.5795000
  1 1 1       0  -24   18 o    1.548000      0.4886000       1.419000 0.6645000       1.677000      0.7164000     -0.2571000      0.9771000
  1 1 1       0  -24   19 o    1.615000      0.5051000       1.704000 0.7423000       1.527000      0.6852000      0.1770000       1.010000
  1 1 1       0  -24   20 o    2.598000      0.5364000       1.934000 0.7911000       3.263000      0.7246000      -1.328000       1.073000
  1 1 1       0  -24   21 o    4.218000      0.6651000       3.672000 1.220000       4.765000      0.5296000      -1.093000       1.330000
  1 1 1       0  -24   22 o    3.376000      0.5549000       2.884000 0.8807000       3.869000      0.6754000     -0.9847000       1.110000
  1 1 1       0  -24   23 o    5.256000      0.4163000       5.188000 0.6148000       5.324000      0.5614000     -0.1358000      0.8325000
  1 1 1       0  -24   24 o    2.820000      0.6333000       2.546000 0.9007000       3.094000      0.8905000     -0.5487000       1.267000
  1 1 1       0  -24   25 o    1.799000      0.5645000       2.006000 0.8534000       1.592000      0.7393000      0.4140000       1.129000
  1 1 1       0  -24   26 o    2.940000      0.7178000       2.764000 1.160000       3.115000      0.8458000     -0.3506000       1.436000
  1 1 1       0  -23    1 o    8.171000      0.4873000       7.989000 0.6493000       8.354000      0.7267000     -0.3644000      0.9745000
  1 1 1       0  -23    2 o    9.077000      0.3897000       9.348000 0.5084000       8.806000      0.5907000      0.5420000      0.7794000
  1 1 1       0  -23    3 o    2.489000      0.6319000       2.175000 0.8608000       2.803000      0.9252000     -0.6275000       1.264000
  1 1 1       0  -23    4 o    4.845000      0.4215000       3.944000 0.6390000       5.746000      0.5498000      -1.802000      0.8430000
  1 1 1       0  -23    5 o    6.335000      0.3387000       6.067000 0.4802000       6.603000      0.4777000     -0.5354000      0.6774000
  1 1 1       0  -23    6 o    10.84000      0.2748000       10.96000 0.4055000       10.72000      0.3709000      0.2397000      0.5496000
  1 1 1       0  -23    7 o    1.589000      0.4758000       1.366000 0.6397000       1.812000      0.7046000     -0.4465000      0.9516000
  1 1 1       0  -23    8 o    5.499000      0.3093000       5.682000 0.4673000       5.317000      0.4055000      0.3650000      0.6187000
  1 1 1       0  -23    9 o    2.296000      0.5093000       2.852000 0.7648000       1.739000      0.6729000       1.114000       1.019000
  1 1 1       0  -23   10 o    5.343000      0.3183000       4.623000 0.5375000       6.063000      0.3411000      -1.440000      0.6367000
  1 1 1       0  -23   11 o    1.567000      0.4675000       1.384000 0.6483000       1.751000      0.6738000     -0.3664000      0.9350000
  1 1 1       0  -23   12 o    1.932000      0.5190000       1.889000 0.7877000       1.975000      0.6761000     -0.8584000E-01   1.038000
  1 1 1       0  -23   13 o    6.563000      0.2720000       6.140000 0.4379000       6.987000      0.3228000     -0.8470000      0.5440000
  1 1 1       0  -23   14 o    4.755000      0.3277000       4.865000 0.5125000       4.645000      0.4086000      0.2201000      0.6554000
  1 1 1       0  -23   15 o    4.561000      0.3582000       4.337000 0.5875000       4.784000      0.4101000     -0.4469000      0.7164000
  1 1 1       0  -23   16 f    3.152000      0.4894000       3.379000 0.7419000       2.924000      0.6383000      0.4550000      0.9787000
  1 1 1       0  -23   17 o    1.922000      0.5183000       2.400000 0.8087000       1.444000      0.6485000      0.9561000       1.037000
  1 1 1       0  -23   18 o    1.793000      0.5064000       1.578000 0.6906000       2.009000      0.7409000     -0.4317000       1.013000
  1 1 1       0  -23   19 o    1.629000      0.4949000       1.752000 0.7308000       1.506000      0.6675000      0.2465000      0.9897000
  1 1 1       0  -23   20 f    6.427000      0.2829000       6.526000 0.4157000       6.328000      0.3840000      0.1984000      0.5659000
  1 1 1       0  -23   21 o    2.178000      0.5670000       2.100000 0.8122000       2.256000      0.7914000     -0.1557000       1.134000
  1 1 1       0  -23   22 o    4.744000      0.3849000       4.831000 0.5639000       4.656000      0.5241000      0.1745000      0.7698000
  1 1 1       0  -23   23 o    3.014000      0.5442000       3.158000 0.7745000       2.871000      0.7648000      0.2864000       1.088000
  1 1 1       0  -23   24 o    2.560000      0.5878000       3.175000 0.8619000       1.944000      0.7996000       1.231000       1.176000
  1 1 1       0  -23   25 o    3.385000      0.5805000       2.743000 0.8947000       4.027000      0.7398000      -1.283000       1.161000
  1 1 1       0  -23   26 o    3.377000      0.5917000       2.861000 0.9071000       3.893000      0.7601000      -1.033000       1.183000
  1 1 1       0  -23   27 o    2.477000      0.6429000       2.551000 0.9064000       2.404000      0.9121000      0.1475000       1.286000
  1 1 1       0  -22    1 o    14.33000      0.3572000       13.98000 0.5050000       14.69000      0.5052000     -0.7062000      0.7143000
  1 1 1       0  -22    2 o    4.910000      0.5633000       4.662000 0.7347000       5.158000      0.8542000     -0.4954000       1.127000
  1 1 1       0  -22    3 o    7.897000      0.3118000       7.999000 0.4167000       7.795000      0.4640000      0.2032000      0.6237000
  1 1 1       0  -22    4 o    3.839000      0.5120000       4.130000 0.6381000       3.549000      0.8009000      0.5810000       1.024000
  1 1 1       0  -22    5 o    4.933000      0.3737000       4.578000 0.5323000       5.287000      0.5247000     -0.7090000      0.7474000
  1 1 1       0  -22    6 o    2.993000      0.4711000       2.717000 0.7208000       3.269000      0.6067000     -0.5529000      0.9422000
  1 1 1       0  -22    7 f    5.731000      0.2870000       5.474000 0.4404000       5.988000      0.3681000     -0.5138000      0.5740000
  1 1 1       0  -22    8 o    6.315000      0.2664000       6.282000 0.4042000       6.348000      0.3471000     -0.6632000E-01  0.5328000
  1 1 1       0  -22    9 o    1.951000      0.7787000       1.951000 0.7787000                  ?              ?              ?              ?
  1 1 1       0  -22   10 o    1.342000      0.4404000       1.588000 0.7094000       1.097000      0.5221000      0.4912000      0.8809000
  1 1 1       0  -22   11 f    2.815000      0.5502000                  ?       ?   2.815000      0.5502000                  ?              ?
  1 1 1       0  -22   12 o    3.103000      0.4529000       2.772000 0.7688000       3.435000      0.4791000     -0.6629000      0.9059000
  1 1 1       0  -22   13 o    5.636000      0.2918000       5.012000 0.4920000       6.259000      0.3138000      -1.247000      0.5835000
  1 1 1       0  -22   14 o    2.886000      0.4686000       2.762000 0.7463000       3.011000      0.5670000     -0.2498000      0.9373000
  1 1 1       0  -22   15 o    1.841000      0.5019000       2.108000 0.7599000       1.575000      0.6559000      0.5328000       1.004000
  1 1 1       0  -22   16 o    2.168000      0.5213000       2.315000 0.7737000       2.022000      0.6989000      0.2936000       1.043000
  1 1 1       0  -22   17 o    4.107000      0.3264000       4.076000 0.5013000       4.139000      0.4180000     -0.6349000E-01  0.6527000
  1 1 1       0  -22   18 o    3.876000      0.3489000       4.262000 0.4788000       3.490000      0.5076000      0.7724000      0.6978000
  1 1 1       0  -22   19 o    7.348000      0.2399000       7.316000 0.3475000       7.379000      0.3310000     -0.6324000E-01  0.4799000
  1 1 1       0  -22   20 o    5.723000      0.2837000       5.932000 0.3956000       5.514000      0.4067000      0.4183000      0.5674000
  1 1 1       0  -22   21 o    6.947000      0.2491000       7.129000 0.3414000       6.764000      0.3627000      0.3649000      0.4981000
  1 1 1       0  -22   22 o    2.369000      0.5244000       2.174000 0.7419000       2.563000      0.7413000     -0.3893000       1.049000
  1 1 1       0  -22   23 o    1.470000      0.4717000       1.335000 0.6250000       1.605000      0.7067000     -0.2698000      0.9434000
  1 1 1       0  -22   24 o    1.951000      0.5483000       1.541000 0.7029000       2.361000      0.8417000     -0.8207000       1.097000
  1 1 1       0  -22   25 o    2.140000      0.5895000       2.487000 0.8784000       1.792000      0.7864000      0.6956000       1.179000
  1 1 1       0  -22   26 o    6.838000      0.3318000       6.787000 0.4803000       6.888000      0.4579000     -0.1010000      0.6636000
  1 1 1       0  -22   27 o    4.622000      0.4697000       4.413000 0.6788000       4.832000      0.6493000     -0.4187000      0.9393000
  1 1 1       0  -22   28 o    2.118000      0.5992000       2.460000 0.8934000       1.776000      0.7988000      0.6843000       1.198000
  1 1 1       0  -21    1 f    2.668000      0.7465000       2.579000 0.9868000       2.756000       1.120000     -0.1766000       1.493000
  1 1 1       0  -21    2 f    3.319000      0.6893000       3.772000 0.8503000       2.866000       1.085000      0.9061000       1.379000
  1 1 1       0  -21    3 o    7.846000      0.3370000       8.043000 0.4285000       7.648000      0.5203000      0.3949000      0.6741000
  1 1 1       0  -21    4 o    13.83000      0.4344000       14.50000 0.4379000       13.15000      0.7504000       1.346000      0.8688000
  1 1 1       0  -21    5 o    2.750000      0.5171000       3.375000 0.6649000       2.126000      0.7921000       1.249000       1.034000
  1 1 1       0  -21    6 o    3.154000      0.4380000       3.382000 0.5654000       2.927000      0.6691000      0.4549000      0.8760000
  1 1 1       0  -21    7 o    1.924000      0.4636000       2.518000 0.7076000       1.330000      0.5991000       1.187000      0.9272000
  1 1 1       0  -21    8 o    1.818000      0.4521000       2.487000 0.7306000       1.149000      0.5327000       1.338000      0.9042000
  1 1 1       0  -21    9 o    1.820000      0.7252000       1.820000 0.7252000                  ?              ?              ?              ?
  1 1 1       0  -21   10 o    3.390000      0.4121000       3.433000 0.6690000       3.348000      0.4816000      0.8534000E-01  0.8243000
  1 1 1       0  -21   11 o    2.167000      0.5914000                  ?       ?   2.167000      0.5914000                  ?              ?
  1 1 1       0  -21   12 o    4.246000      0.3150000       4.318000 0.4999000       4.173000      0.3835000      0.1453000      0.6301000
  1 1 1       0  -21   13 o    6.363000      0.2392000       6.310000 0.3863000       6.417000      0.2822000     -0.1076000      0.4784000
  1 1 1       0  -21   14 o    7.433000      0.2198000       7.189000 0.3418000       7.677000      0.2765000     -0.4882000      0.4396000
  1 1 1       0  -21   15 o    4.780000      0.2835000       4.117000 0.4678000       5.443000      0.3202000      -1.327000      0.5669000
  1 1 1       0  -21   16 o    2.377000      0.4619000       2.604000 0.6320000       2.150000      0.6739000      0.4544000      0.9239000
  1 1 1       0  -21   17 o    10.50000      0.2096000       10.41000 0.3110000       10.59000      0.2811000     -0.1858000      0.4192000
  1 1 1       0  -21   18 o    2.145000      0.4888000       2.296000 0.7140000       1.994000      0.6677000      0.3022000      0.9775000
  1 1 1       0  -21   19 o    2.688000      0.4658000       2.425000 0.6855000       2.951000      0.6308000     -0.5260000      0.9316000
  1 1 1       0  -21   20 o    3.366000      0.3944000       3.221000 0.5747000       3.511000      0.5403000     -0.2899000      0.7888000
  1 1 1       0  -21   21 o    6.628000      0.2440000       6.607000 0.3387000       6.649000      0.3513000     -0.4237000E-01  0.4880000
  1 1 1       0  -21   22 o    2.861000      0.4891000       3.173000 0.6076000       2.549000      0.7666000      0.6240000      0.9782000
  1 1 1       0  -21   23 o    1.783000      0.5151000       1.942000 0.7568000       1.624000      0.6991000      0.3185000       1.030000
  1 1 1       0  -21   24 o    4.997000      0.3437000       4.979000 0.4946000       5.015000      0.4774000     -0.3528000E-01  0.6875000
  1 1 1       0  -21   25 o    2.408000      0.5670000       2.625000 0.7937000       2.190000      0.8101000      0.4346000       1.134000
  1 1 1       0  -21   26 o    2.963000      0.5921000       3.233000 0.8187000       2.692000      0.8556000      0.5411000       1.184000
  1 1 1       0  -21   27 o    2.083000      0.5798000       1.727000 0.7542000       2.439000      0.8807000     -0.7118000       1.160000
  1 1 1       0  -21   28 o    1.853000      0.5584000       1.960000 0.8025000       1.746000      0.7767000      0.2136000       1.117000
  1 1 1       0  -21   29 o    1.938000      0.5832000       2.131000 0.8602000       1.745000      0.7877000      0.3859000       1.166000
  1 1 1       0  -20    1 o    13.37000      0.3536000       12.90000 0.4978000       13.83000      0.5022000     -0.9285000      0.7071000
  1 1 1       0  -20    2 o    11.49000      0.3417000       11.98000 0.4720000       11.00000      0.4943000      0.9793000      0.6835000
  1 1 1       0  -20    3 o    6.021000      0.3235000       6.082000 0.4196000       5.959000      0.4926000      0.1224000      0.6471000
  1 1 1       0  -20    4 o    10.51000      0.2592000       9.865000 0.3580000       11.15000      0.3749000      -1.290000      0.5184000
  1 1 1       0  -20    5 o    6.617000      0.2800000       6.368000 0.3847000       6.866000      0.4070000     -0.4983000      0.5601000
  1 1 1       0  -20    6 o    2.997000      0.4140000       2.788000 0.6509000       3.207000      0.5119000     -0.4197000      0.8281000
  1 1 1       0  -20    7 o    1.523000      0.4371000       1.703000 0.6565000       1.342000      0.5773000      0.3608000      0.8742000
  1 1 1       0  -20    8 o    10.98000      0.2299000       10.61000 0.3431000       11.34000      0.3062000     -0.7287000      0.4599000
  1 1 1       0  -20    9 o    1.891000      0.4791000       2.101000 0.7307000       1.681000      0.6199000      0.4200000      0.9582000
  1 1 1       0  -20   10 o    8.924000      0.2130000       8.584000 0.3288000       9.263000      0.2709000     -0.6798000      0.4260000
  1 1 1       0  -20   11 o    1.331000      0.4109000       1.611000 0.6584000       1.050000      0.4919000      0.5606000      0.8218000
  1 1 1       0  -20   12 o    6.169000      0.2288000       6.385000 0.3627000       5.952000      0.2791000      0.4329000      0.4577000
  1 1 1       0  -20   13 o    8.492000      0.2050000       8.595000 0.3123000       8.390000      0.2656000      0.2059000      0.4100000
  1 1 1       0  -20   14 o    1.974000      0.4254000       2.542000 0.6268000       1.406000      0.5753000       1.136000      0.8508000
  1 1 1       0  -20   15 o    7.900000      0.2214000       8.116000 0.3532000       7.684000      0.2672000      0.4321000      0.4429000
  1 1 1       0  -20   16 o    3.401000      0.3397000       3.492000 0.4822000       3.310000      0.4785000      0.1820000      0.6793000
  1 1 1       0  -20   17 o    1.657000      0.4473000       1.369000 0.6008000       1.945000      0.6630000     -0.5759000      0.8947000
  1 1 1       0  -20   18 o    5.744000      0.2297000       5.869000 0.3314000       5.620000      0.3182000      0.2492000      0.4595000
  1 1 1       0  -20   19 o    5.444000      0.2461000       5.474000 0.3473000       5.415000      0.3489000      0.5856000E-01  0.4923000
  1 1 1       0  -20   20 o    8.033000      0.2302000       8.383000 0.3497000       7.683000      0.2994000      0.6998000      0.4604000
  1 1 1       0  -20   21 o    6.239000      0.2438000       6.595000 0.3281000       5.882000      0.3608000      0.7133000      0.4877000
  1 1 1       0  -20   22 o    8.250000      0.2289000       8.470000 0.3148000       8.030000      0.3323000      0.4398000      0.4577000
  1 1 1       0  -20   23 o    6.670000      0.2582000       6.721000 0.3377000       6.618000      0.3907000      0.1029000      0.5165000
  1 1 1       0  -20   24 o    1.999000      0.5108000       1.580000 0.6638000       2.417000      0.7766000     -0.8367000       1.022000
  1 1 1       0  -20   25 f    1.956000      0.5398000       2.124000 0.7664000       1.788000      0.7605000      0.3359000       1.080000
  1 1 1       0  -20   26 f    1.919000      0.5360000       2.127000 0.7765000       1.710000      0.7392000      0.4175000       1.072000
  1 1 1       0  -20   27 o    7.447000      0.2971000       7.377000 0.4176000       7.516000      0.4226000     -0.1396000      0.5941000
  1 1 1       0  -20   28 o    2.632000      0.6253000       2.339000 0.8696000       2.925000      0.8988000     -0.5855000       1.251000
  1 1 1       0  -20   29 o    2.101000      0.5902000       2.239000 0.8377000       1.962000      0.8316000      0.2762000       1.180000
  1 1 1       0  -20   30 o    2.757000      0.6063000       3.387000 0.8435000       2.127000      0.8713000       1.260000       1.213000
  1 1 1       0  -19    1 o    3.286000      0.9592000       3.756000 1.499000       2.816000       1.198000      0.9402000       1.918000
  1 1 1       0  -19    2 f    5.771000      0.7862000       4.411000 1.267000       7.131000      0.9316000      -2.721000       1.572000
  1 1 1       0  -19    3 o    2.855000      0.8149000       2.901000 1.077000       2.808000       1.223000      0.9302000E-01   1.630000
  1 1 1       0  -19    4 o    5.122000      0.7630000       3.887000 0.9889000       6.357000       1.162000      -2.470000       1.526000
  1 1 1       0  -19    5 o    3.189000      0.8592000       2.340000 1.017000       4.039000       1.385000      -1.700000       1.718000
  1 1 1       0  -19    6 o    2.853000      0.7850000       3.386000 1.206000       2.320000       1.005000       1.065000       1.570000
  1 1 1       0  -19    7 o    3.091000      0.8484000       3.814000 1.385000       2.368000      0.9803000       1.445000       1.697000
  1 1 1       0  -19    8 o    4.580000      0.8027000       5.678000 1.232000       3.481000       1.029000       2.197000       1.605000
  1 1 1       0  -19    9 o    12.11000      0.3788000       12.44000 0.6025000       11.79000      0.4592000      0.6417000      0.7575000
  1 1 1       0  -19   10 o    4.125000      0.4705000       4.209000 0.7335000       4.040000      0.5896000      0.1683000      0.9411000
  1 1 1       0  -19   11 o    2.133000      0.5419000       1.903000 0.7768000       2.363000      0.7559000     -0.4597000       1.084000
  1 1 1       0  -19   12 o    6.978000      0.2906000       7.242000 0.4339000       6.715000      0.3868000      0.5267000      0.5813000
  1 1 1       0  -19   13 o    6.407000      0.2739000       5.975000 0.4067000       6.839000      0.3671000     -0.8632000      0.5479000
  1 1 1       0  -19   14 o    3.197000      0.3956000       3.518000 0.5057000       2.875000      0.6085000      0.6426000      0.7912000
  1 1 1       0  -19   15 o    1.503000      0.4275000       1.872000 0.6825000       1.134000      0.5151000      0.7384000      0.8551000
  1 1 1       0  -19   16 o    3.331000      0.3359000       3.339000 0.4880000       3.322000      0.4618000      0.1662000E-01  0.6718000
  1 1 1       0  -19   17 o    4.738000      0.2427000       4.806000 0.3518000       4.670000      0.3344000      0.1364000      0.4854000
  1 1 1       0  -19   18 o    3.150000      0.3588000       3.334000 0.4702000       2.966000      0.5421000      0.3680000      0.7176000
  1 1 1       0  -19   19 o    9.205000      0.2036000       9.324000 0.2953000       9.087000      0.2804000      0.2372000      0.4072000
  1 1 1       0  -19   20 o    2.352000      0.4543000       2.185000 0.6287000       2.519000      0.6561000     -0.3339000      0.9087000
  1 1 1       0  -19   21 o    2.028000      0.4813000       1.714000 0.6590000       2.342000      0.7016000     -0.6278000      0.9625000
  1 1 1       0  -19   22 o    2.934000      0.4462000       2.327000 0.6810000       3.542000      0.5768000      -1.214000      0.8924000
  1 1 1       0  -19   23 o    5.055000      0.2955000       5.260000 0.3749000       4.850000      0.4569000      0.4100000      0.5910000
  1 1 1       0  -19   24 o    2.124000      0.5140000       1.739000 0.6975000       2.509000      0.7553000     -0.7701000       1.028000
  1 1 1       0  -19   25 o    4.612000      0.3430000       4.559000 0.4752000       4.666000      0.4946000     -0.1064000      0.6859000
  1 1 1       0  -19   26 o    3.599000      0.4853000       3.670000 0.6336000       3.528000      0.7352000      0.1415000      0.9706000
  1 1 1       0  -19   27 o    4.675000      0.4115000       4.828000 0.5410000       4.523000      0.6202000      0.3044000      0.8230000
  1 1 1       0  -19   28 o    2.633000      0.5922000       2.752000 0.7901000       2.514000      0.8823000      0.2384000       1.184000
  1 1 1       0  -19   29 o    2.348000      0.5789000       1.729000 0.7624000       2.967000      0.8712000      -1.239000       1.158000
  1 1 1       0  -19   30 o    2.676000      0.6255000       2.967000 0.9000000       2.384000      0.8688000      0.5828000       1.251000
  1 1 1       0  -19   31 o    3.035000      0.6235000       2.741000 0.8882000       3.329000      0.8753000     -0.5877000       1.247000
  1 1 1       0  -18    1 o    3.640000      0.7421000       3.367000 0.9454000       3.913000       1.144000     -0.5458000       1.484000
  1 1 1       0  -18    2 o    6.583000      0.5090000       5.972000 0.5729000       7.195000      0.8415000      -1.223000       1.018000
  1 1 1       0  -18    3 o    5.224000      0.3241000       5.135000 0.4314000       5.313000      0.4838000     -0.1780000      0.6482000
  1 1 1       0  -18    4 o    5.417000      0.2989000       5.008000 0.4083000       5.825000      0.4366000     -0.8172000      0.5978000
  1 1 1       0  -18    5 o    13.16000      0.2680000       13.17000 0.4051000       13.16000      0.3510000      0.1804000E-01  0.5360000
  1 1 1       0  -18    6 o    9.590000      0.2110000       9.523000 0.3103000       9.657000      0.2860000     -0.1348000      0.4220000
  1 1 1       0  -18    7 o    5.878000      0.2110000       6.049000 0.3083000       5.707000      0.2880000      0.3421000      0.4219000
  1 1 1       0  -18    8 o    8.174000      0.2021000       8.263000 0.3048000       8.085000      0.2653000      0.1775000      0.4041000
  1 1 1       0  -18    9 o    6.078000      0.2041000       5.681000 0.3177000       6.475000      0.2565000     -0.7945000      0.4083000
  1 1 1       0  -18   10 o    1.581000      0.4080000       1.719000 0.6367000       1.443000      0.5103000      0.2762000      0.8160000
  1 1 1       0  -18   11 o    11.57000      0.2453000       11.20000 0.4073000       11.94000      0.2734000     -0.7449000      0.4906000
  1 1 1       0  -18   12 o    9.198000      0.2453000                  ?       ?   9.198000      0.2453000                  ?              ?
  1 1 1       0  -18   13 o    7.608000      0.1799000       7.611000 0.2663000       7.605000      0.2420000      0.5551000E-02  0.3598000
  1 1 1       0  -18   14 o    10.66000      0.1905000       10.49000 0.2770000       10.82000      0.2616000     -0.3318000      0.3810000
  1 1 1       0  -18   15 o    4.932000      0.2178000       4.709000 0.3305000       5.156000      0.2838000     -0.4470000      0.4356000
  1 1 1       0  -18   16 o    2.496000      0.4349000       2.741000 0.4802000       2.251000      0.7253000      0.4898000      0.8698000
  1 1 1       0  -18   17 o    4.474000      0.2843000       4.314000 0.3698000       4.633000      0.4318000     -0.3186000      0.5685000
  1 1 1       0  -18   18 o    4.072000      0.3292000       4.006000 0.4142000       4.137000      0.5118000     -0.1314000      0.6584000
  1 1 1       0  -18   19 o    2.225000      0.4855000       2.532000 0.6184000       1.918000      0.7486000      0.6135000      0.9710000
  1 1 1       0  -18   20 o    4.780000      0.2764000       5.114000 0.3767000       4.446000      0.4047000      0.6678000      0.5529000
  1 1 1       0  -18   21 o    1.728000      0.4640000       1.786000 0.6441000       1.669000      0.6682000      0.1170000      0.9281000
  1 1 1       0  -18   22 o    12.97000      0.2297000       12.97000 0.3256000       12.98000      0.3240000     -0.7925000E-03  0.4594000
  1 1 1       0  -18   23 o    5.477000      0.2658000       5.322000 0.3619000       5.631000      0.3893000     -0.3085000      0.5316000
  1 1 1       0  -18   24 o    5.230000      0.2970000       5.098000 0.4048000       5.362000      0.4346000     -0.2640000      0.5939000
  1 1 1       0  -18   25 o    2.703000      0.5151000       3.215000 0.6518000       2.191000      0.7978000       1.024000       1.030000
  1 1 1       0  -18   26 o    7.652000      0.2646000       7.558000 0.3797000       7.747000      0.3685000     -0.1895000      0.5291000
  1 1 1       0  -18   27 o    2.533000      0.5792000       2.356000 0.7941000       2.709000      0.8433000     -0.3528000       1.158000
  1 1 1       0  -18   28 o    7.887000      0.2986000       8.083000 0.4217000       7.692000      0.4227000      0.3907000      0.5971000
  1 1 1       0  -18   29 o    2.884000      0.6117000       3.100000 0.8244000       2.668000      0.9038000      0.4319000       1.223000
  1 1 1       0  -18   30 o    4.295000      0.4786000       3.822000 0.7102000       4.767000      0.6418000     -0.9448000      0.9573000
  1 1 1       0  -18   31 o    2.582000      0.5876000       3.167000 0.8199000       1.998000      0.8419000       1.169000       1.175000
  1 1 1       0  -18   32 f    2.466000      0.6101000       1.962000 0.8141000       2.969000      0.9088000      -1.007000       1.220000
  1 1 1       0  -17    1 o    4.803000      0.7777000       5.350000 0.6446000       4.255000       1.416000       1.095000       1.555000
  1 1 1       0  -17    2 o    7.944000      0.4287000       7.337000 0.4789000       8.550000      0.7111000      -1.213000      0.8573000
  1 1 1       0  -17    3 o    9.105000      0.3579000       9.105000 0.3579000                  ?              ?              ?              ?
  1 1 1       0  -17    4 o    10.70000      0.2483000       10.51000 0.3489000       10.90000      0.3534000     -0.3920000      0.4966000
  1 1 1       0  -17    5 f    6.252000      0.2381000       5.997000 0.3400000       6.507000      0.3334000     -0.5096000      0.4762000
  1 1 1       0  -17    6 o    9.113000      0.2050000       9.163000 0.3033000       9.063000      0.2760000      0.9973000E-01  0.4101000
  1 1 1       0  -17    7 o    4.327000      0.2471000       4.195000 0.3734000       4.458000      0.3238000     -0.2631000      0.4942000
  1 1 1       0  -17    8 o    4.553000      0.2451000       4.570000 0.3938000       4.536000      0.2920000      0.3400000E-01  0.4902000
  1 1 1       0  -17    9 o   0.9776000      0.3336000       1.077000 0.5159000      0.8783000      0.4229000      0.1985000      0.6671000
  1 1 1       0  -17   10 o    13.20000      0.4191000       13.20000 0.4191000                  ?              ?              ?              ?
  1 1 1       0  -17   11 o    8.050000      0.2485000       7.658000 0.3750000       8.441000      0.3262000     -0.7829000      0.4970000
  1 1 1       0  -17   12 o    10.09000      0.3521000                  ?       ?   10.09000      0.3521000                  ?              ?
  1 1 1       0  -17   13 o    2.466000      0.5428000       2.786000 0.8261000       2.145000      0.7043000      0.6410000       1.086000
  1 1 1       0  -17   15 o    2.994000      0.5631000       2.894000 0.8947000       3.095000      0.6838000     -0.2012000       1.126000
  1 1 1       0  -17   16 o    1.324000      0.3893000       1.389000 0.5614000       1.259000      0.5395000      0.1301000      0.7786000
  1 1 1       0  -17   17 o    7.446000      0.1917000       7.416000 0.2694000       7.477000      0.2728000     -0.6088000E-01  0.3834000
  1 1 1       0  -17   18 o    8.068000      0.1945000       8.021000 0.2767000       8.115000      0.2735000     -0.9426000E-01  0.3890000
  1 1 1       0  -17   19 o    8.667000      0.1987000       8.504000 0.2831000       8.830000      0.2789000     -0.3266000      0.3975000
  1 1 1       0  -17   20 o    5.329000      0.2378000       5.227000 0.3342000       5.431000      0.3383000     -0.2036000      0.4755000
  1 1 1       0  -17   21 o    7.656000      0.2726000       8.093000 0.3448000       7.219000      0.4224000      0.8744000      0.5453000
  1 1 1       0  -17   22 o    9.230000      0.2833000       9.729000 0.3773000       8.730000      0.4228000      0.9982000      0.5667000
  1 1 1       0  -17   23 o    5.775000      0.3389000       5.673000 0.4269000       5.877000      0.5265000     -0.2048000      0.6778000
  1 1 1       0  -17   24 o    1.920000      0.5223000       1.812000 0.7156000       2.027000      0.7609000     -0.2154000       1.045000
  1 1 1       0  -17   25 o    8.731000      0.2395000       8.679000 0.3330000       8.783000      0.3444000     -0.1034000      0.4790000
  1 1 1       0  -17   26 o    4.999000      0.3596000       5.511000 0.4441000       4.488000      0.5657000       1.023000      0.7192000
  1 1 1       0  -17   27 o    11.62000      0.2487000       11.63000 0.3530000       11.60000      0.3505000      0.3084000E-01  0.4975000
  1 1 1       0  -17   28 o    6.882000      0.2896000       6.547000 0.3905000       7.218000      0.4278000     -0.6707000      0.5793000
  1 1 1       0  -17   29 o    6.359000      0.3213000       6.391000 0.4238000       6.327000      0.4832000      0.6446000E-01  0.6427000
  1 1 1       0  -17   30 o    5.377000      0.3884000       5.543000 0.4960000       5.211000      0.5978000      0.3327000      0.7768000
  1 1 1       0  -17   31 o    1.812000      0.5439000       1.366000 0.6524000       2.258000      0.8705000     -0.8917000       1.088000
  1 1 1       0  -17   32 o    2.121000      0.5992000       2.010000 0.8154000       2.232000      0.8781000     -0.2213000       1.198000
  1 1 1       0  -16    1 o    3.888000      0.6448000       3.237000 0.8703000       4.539000      0.9516000      -1.302000       1.290000
  1 1 1       0  -16    2 o    2.857000      0.6679000       2.566000 0.8592000       3.149000       1.023000     -0.5830000       1.336000
  1 1 1       0  -16    3 f    2.243000      0.5056000       1.900000 0.6601000       2.586000      0.7661000     -0.6857000       1.011000
  1 1 1       0  -16    4 o    6.766000      0.2394000       6.411000 0.3324000       7.122000      0.3445000     -0.7117000      0.4787000
  1 1 1       0  -16    5 o    6.179000      0.2126000       6.210000 0.3012000       6.147000      0.3002000      0.6340000E-01  0.4253000
  1 1 1       0  -16    6 o    2.812000      0.3401000       2.867000 0.4987000       2.756000      0.4627000      0.1101000      0.6803000
  1 1 1       0  -16    7 o    9.586000      0.2058000       9.358000 0.3233000       9.815000      0.2547000     -0.4577000      0.4116000
  1 1 1       0  -16    8 o    4.321000      0.2071000       4.290000 0.3259000       4.352000      0.2557000     -0.6146000E-01  0.4142000
  1 1 1       0  -16    9 o    3.567000      0.2490000       3.785000 0.3759000       3.349000      0.3266000      0.4363000      0.4979000
  1 1 1       0  -16   10 o    3.683000      0.2265000       3.868000 0.3546000       3.498000      0.2819000      0.3701000      0.4530000
  1 1 1       0  -16   11 o    11.32000      0.1842000       11.22000 0.2666000       11.42000      0.2543000     -0.2002000      0.3684000
  1 1 1       0  -16   12 o    4.485000      0.1873000       4.662000 0.2621000       4.308000      0.2676000      0.3541000      0.3746000
  1 1 1       0  -16   13 o    6.404000      0.1725000       6.753000 0.2528000       6.054000      0.2349000      0.6992000      0.3451000
  1 1 1       0  -16   14 o    6.707000      0.1757000       6.828000 0.2554000       6.586000      0.2414000      0.2420000      0.3515000
  1 1 1       0  -16   15 o    3.084000      0.3001000       3.122000 0.3972000       3.047000      0.4500000      0.7473000E-01  0.6003000
  1 1 1       0  -16   16 o    5.844000      0.2022000       5.807000 0.2815000       5.881000      0.2903000     -0.7372000E-01  0.4044000
  1 1 1       0  -16   17 o    6.864000      0.3492000       6.101000 0.5809000       7.626000      0.3878000      -1.525000      0.6985000
  1 1 1       0  -16   18 o    2.473000      0.5420000       3.668000 0.9016000       1.279000      0.6018000       2.389000       1.084000
  1 1 1       0  -16   19 o    6.145000      0.3670000       6.526000 0.5867000       5.764000      0.4411000      0.7616000      0.7341000
  1 1 1       0  -16   20 o    4.369000      0.2521000       4.398000 0.3726000       4.339000      0.3397000      0.5855000E-01  0.5042000
  1 1 1       0  -16   21 o    6.147000      0.2316000       6.052000 0.3162000       6.242000      0.3385000     -0.1899000      0.4632000
  1 1 1       0  -16   22 o    10.88000      0.2164000       10.86000 0.3073000       10.91000      0.3046000     -0.4914000E-01  0.4327000
  1 1 1       0  -16   23 o    5.671000      0.2624000       5.530000 0.3614000       5.811000      0.3805000     -0.2805000      0.5248000
  1 1 1       0  -16   24 o    3.246000      0.5242000       3.684000 0.5612000       2.808000      0.8854000      0.8753000       1.048000
  1 1 1       0  -16   25 o    5.749000      0.3660000       5.628000 0.4357000       5.871000      0.5881000     -0.2430000      0.7319000
  1 1 1       0  -16   26 o    2.295000      0.5594000       2.460000 0.7814000       2.129000      0.8006000      0.3316000       1.119000
  1 1 1       0  -16   27 o    4.212000      0.4183000       4.506000 0.5302000       3.918000      0.6472000      0.5887000      0.8366000
  1 1 1       0  -16   28 o    2.761000      0.5553000       2.975000 0.7039000       2.548000      0.8591000      0.4262000       1.111000
  1 1 1       0  -16   29 o    2.411000      0.5831000       2.350000 0.7873000       2.472000      0.8602000     -0.1215000       1.166000
  1 1 1       0  -16   30 o    2.466000      0.5851000       2.791000 0.7990000       2.141000      0.8549000      0.6505000       1.170000
  1 1 1       0  -16   31 o    4.562000      0.4750000       5.157000 0.5322000       3.967000      0.7870000       1.190000      0.9500000
  1 1 1       0  -16   32 o    2.585000      0.6075000       2.299000 0.8385000       2.871000      0.8793000     -0.5720000       1.215000
  1 1 1       0  -16   33 o    3.293000      0.5752000       3.714000 0.7256000       2.871000      0.8927000      0.8425000       1.150000
  1 1 1       0  -15    1 o    3.076000      0.6514000       3.224000 0.8024000       2.928000       1.027000      0.2957000       1.303000
  1 1 1       0  -15    2 o    7.000000      0.3554000       6.784000 0.4436000       7.216000      0.5554000     -0.4319000      0.7108000
  1 1 1       0  -15    3 o    4.117000      0.3431000       3.947000 0.4370000       4.287000      0.5291000     -0.3399000      0.6862000
  1 1 1       0  -15    4 o    1.481000      0.4482000       1.434000 0.5974000       1.529000      0.6684000     -0.9494000E-01  0.8965000
  1 1 1       0  -15    5 o    4.952000      0.2105000       4.751000 0.3117000       5.153000      0.2830000     -0.4018000      0.4210000
  1 1 1       0  -15    6 o    3.863000      0.2355000       3.800000 0.3512000       3.927000      0.3140000     -0.1266000      0.4711000
  1 1 1       0  -15    7 o    7.272000      0.1688000       6.941000 0.2519000       7.603000      0.2248000     -0.6623000      0.3376000
  1 1 1       0  -15    8 o    3.453000      0.2344000       3.656000 0.3532000       3.250000      0.3084000      0.4064000      0.4689000
  1 1 1       0  -15    9 o    4.382000      0.1933000       4.764000 0.2746000       4.001000      0.2720000      0.7630000      0.3865000
  1 1 1       0  -15   10 o    1.310000      0.3315000       1.744000 0.5212000      0.8768000      0.4098000      0.8672000      0.6630000
  1 1 1       0  -15   11 o    5.609000      0.1639000       5.605000 0.2398000       5.614000      0.2234000     -0.9136000E-02  0.3278000
  1 1 1       0  -15   12 o    3.101000      0.2573000       3.160000 0.3619000       3.042000      0.3658000      0.1175000      0.5146000
  1 1 1       0  -15   13 o    4.594000      0.1925000       4.825000 0.2663000       4.362000      0.2781000      0.4626000      0.3850000
  1 1 1       0  -15   14 o    1.177000      0.3464000       1.003000 0.4575000       1.352000      0.5203000     -0.3491000      0.6928000
  1 1 1       0  -15   15 o    3.575000      0.2563000       3.589000 0.3569000       3.560000      0.3678000      0.2865000E-01  0.5125000
  1 1 1       0  -15   16 o    10.34000      0.1907000       10.36000 0.2714000       10.32000      0.2679000      0.4379000E-01  0.3814000
  1 1 1       0  -15   17 o    8.866000      0.1871000       8.725000 0.2665000       9.007000      0.2627000     -0.2815000      0.3742000
  1 1 1       0  -15   18 f    6.453000      0.2049000       6.525000 0.2873000       6.380000      0.2922000      0.1446000      0.4098000
  1 1 1       0  -15   19 o    1.441000      0.4271000       1.236000 0.5584000       1.645000      0.6464000     -0.4092000      0.8542000
  1 1 1       0  -15   20 o    1.953000      0.5691000       1.793000 0.8183000       2.112000      0.7911000     -0.3181000       1.138000
  1 1 1       0  -15   21 o    10.38000      0.3340000       9.787000 0.5092000       10.98000      0.4323000      -1.196000      0.6680000
  1 1 1       0  -15   22 o    9.594000      0.3414000       9.133000 0.5233000       10.06000      0.4387000     -0.9220000      0.6829000
  1 1 1       0  -15   23 o    8.908000      0.2181000       8.930000 0.3106000       8.885000      0.3062000      0.4490000E-01  0.4361000
  1 1 1       0  -15   24 o    6.669000      0.2463000       6.976000 0.3241000       6.362000      0.3710000      0.6137000      0.4926000
  1 1 1       0  -15   25 o    2.284000      0.5115000       2.531000 0.6779000       2.038000      0.7662000      0.4936000       1.023000
  1 1 1       0  -15   26 o    6.617000      0.3562000       7.082000 0.3929000       6.152000      0.5944000      0.9301000      0.7125000
  1 1 1       0  -15   27 o    5.639000      0.4179000       5.389000 0.5082000       5.890000      0.6634000     -0.5008000      0.8357000
  1 1 1       0  -15   28 o    4.194000      0.4714000       4.925000 0.5277000       3.463000      0.7813000       1.461000      0.9428000
  1 1 1       0  -15   29 o    3.848000      0.4661000       3.774000 0.6557000       3.922000      0.6625000     -0.1480000      0.9321000
  1 1 1       0  -15   30 o    2.010000      0.5610000       2.312000 0.8186000       1.707000      0.7673000      0.6048000       1.122000
  1 1 1       0  -15   31 f    4.251000      0.4623000       4.061000 0.6270000       4.442000      0.6797000     -0.3813000      0.9247000
  1 1 1       0  -15   32 o    4.696000      0.4302000       5.058000 0.5172000       4.333000      0.6875000      0.7248000      0.8604000
  1 1 1       0  -15   33 o    4.874000      0.4177000       5.218000 0.5298000       4.531000      0.6459000      0.6875000      0.8354000
  1 1 1       0  -15   34 o    5.319000      0.3962000       5.716000 0.5197000       4.923000      0.5982000      0.7923000      0.7924000
  1 1 1       0  -14    1 o    2.929000      0.6779000       2.651000 0.8641000       3.207000       1.045000     -0.5561000       1.356000
  1 1 1       0  -14    2 o    2.789000      0.6026000       3.169000 0.7455000       2.410000      0.9470000      0.7590000       1.205000
  1 1 1       0  -14    3 o    1.760000      0.4722000       1.824000 0.6412000       1.695000      0.6933000      0.1290000      0.9443000
  1 1 1       0  -14    4 o    10.49000      0.2134000       10.64000 0.3148000       10.33000      0.2881000      0.3100000      0.4268000
  1 1 1       0  -14    5 o    10.01000      0.1921000       10.12000 0.2854000       9.900000      0.2571000      0.2156000      0.3841000
  1 1 1       0  -14    6 o    9.343000      0.1734000       9.264000 0.2530000       9.422000      0.2372000     -0.1580000      0.3468000
  1 1 1       0  -14    7 o    9.167000      0.1647000       9.144000 0.2435000       9.189000      0.2219000     -0.4498000E-01  0.3295000
  1 1 1       0  -14    8 o    4.739000      0.1751000       4.724000 0.2658000       4.753000      0.2281000     -0.2851000E-01  0.3502000
  1 1 1       0  -14    9 o    11.69000      0.1819000       11.48000 0.2571000       11.90000      0.2575000     -0.4202000      0.3639000
  1 1 1       0  -14   10 o    6.140000      0.2170000       5.664000 0.3792000       6.616000      0.2109000     -0.9529000      0.4339000
  1 1 1       0  -14   11 o    1.079000      0.3222000       1.290000 0.5073000      0.8684000      0.3973000      0.4217000      0.6444000
  1 1 1       0  -14   12 o    1.324000      0.3499000       1.024000 0.4532000       1.623000      0.5332000     -0.5986000      0.6997000
  1 1 1       0  -14   13 o    1.307000      0.3587000       1.367000 0.5046000       1.248000      0.5099000      0.1190000      0.7174000
  1 1 1       0  -14   14 o    3.575000      0.2383000       3.606000 0.3384000       3.545000      0.3356000      0.6048000E-01  0.4766000
  1 1 1       0  -14   15 o    7.059000      0.1748000       6.905000 0.2475000       7.213000      0.2470000     -0.3078000      0.3497000
  1 1 1       0  -14   16 o    5.176000      0.1972000       5.063000 0.2805000       5.289000      0.2774000     -0.2258000      0.3945000
  1 1 1       0  -14   17 o    3.129000      0.3488000       3.806000 0.3718000       2.452000      0.5902000       1.354000      0.6976000
  1 1 1       0  -14   18 o    7.447000      0.1988000       7.555000 0.2835000       7.340000      0.2788000      0.2153000      0.3976000
  1 1 1       0  -14   19 o    8.617000      0.1982000       8.653000 0.2815000       8.580000      0.2791000      0.7314000E-01  0.3964000
  1 1 1       0  -14   20 o    1.648000      0.4516000       1.572000 0.6140000       1.724000      0.6625000     -0.1516000      0.9033000
  1 1 1       0  -14   21 o    19.75000      0.2903000       19.58000 0.4090000       19.91000      0.4119000     -0.3263000      0.5805000
  1 1 1       0  -14   22 o    8.974000      0.2119000       8.869000 0.2980000       9.078000      0.3013000     -0.2090000      0.4238000
  1 1 1       0  -14   23 o    4.616000      0.5561000       3.812000 0.9870000       5.419000      0.5127000      -1.607000       1.112000
  1 1 1       0  -14   24 o    3.300000      0.6052000       2.478000 0.9920000       4.122000      0.6934000      -1.644000       1.210000
  1 1 1       0  -14   25 o    4.033000      0.4304000       3.153000 0.5314000       4.913000      0.6772000      -1.760000      0.8608000
  1 1 1       0  -14   26 f    2.936000      0.5124000       2.909000 0.6722000       2.963000      0.7736000     -0.5433000E-01   1.025000
  1 1 1       0  -14   27 o    9.928000      0.3342000       10.57000 0.5720000       9.283000      0.3456000       1.289000      0.6683000
  1 1 1       0  -14   28 o    8.346000      0.3310000       7.903000 0.4151000       8.789000      0.5157000     -0.8858000      0.6620000
  1 1 1       0  -14   29 o    2.289000      0.6309000       1.708000 0.7403000       2.869000       1.022000      -1.161000       1.262000
  1 1 1       0  -14   30 f    2.417000      0.5365000       3.176000 0.7681000       1.658000      0.7492000       1.518000       1.073000
  1 1 1       0  -14   31 o    3.868000      0.5213000       4.154000 0.6074000       3.581000      0.8474000      0.5727000       1.043000
  1 1 1       0  -14   32 o    1.994000      0.5726000       2.129000 0.8126000       1.859000      0.8069000      0.2698000       1.145000
  1 1 1       0  -14   33 o    2.348000      0.5751000       1.737000 0.7540000       2.958000      0.8687000      -1.221000       1.150000
  1 1 1       0  -14   34 o    2.266000      0.5797000       1.845000 0.7736000       2.686000      0.8637000     -0.8410000       1.159000
  1 1 1       0  -13    1 o    7.237000      0.4698000       6.911000 0.4227000       7.563000      0.8392000     -0.6518000      0.9396000
  1 1 1       0  -13    2 o    3.713000      0.5082000       3.151000 0.6816000       4.275000      0.7539000      -1.124000       1.016000
  1 1 1       0  -13    3 o    17.79000      0.2883000       17.70000 0.4313000       17.88000      0.3825000     -0.1789000      0.5765000
  1 1 1       0  -13    4 o    13.45000      0.2257000       13.32000 0.3325000       13.58000      0.3054000     -0.2642000      0.4515000
  1 1 1       0  -13    5 o    12.48000      0.2284000       12.32000 0.3621000       12.64000      0.2785000     -0.3210000      0.4568000
  1 1 1       0  -13    6 o    2.666000      0.2776000       2.413000 0.4497000       2.919000      0.3256000     -0.5060000      0.5552000
  1 1 1       0  -13    7 o    13.23000      0.2398000       13.09000 0.3908000       13.37000      0.2780000     -0.2808000      0.4796000
  1 1 1       0  -13    8 o    9.188000      0.1563000       9.026000 0.2240000       9.349000      0.2181000     -0.3225000      0.3126000
  1 1 1       0  -13    9 f    9.446000      0.1597000       9.459000 0.2298000       9.432000      0.2220000      0.2656000E-01  0.3195000
  1 1 1       0  -13   10 o    7.991000      0.1549000       8.145000 0.2219000       7.838000      0.2161000      0.3071000      0.3097000
  1 1 1       0  -13   11 o    2.878000      0.3497000       2.878000 0.3497000                  ?              ?              ?              ?
  1 1 1       0  -13   12 o    1.225000      0.3501000       1.169000 0.4858000       1.282000      0.5042000     -0.1133000      0.7001000
  1 1 1       0  -13   13 o    8.994000      0.2353000                  ?       ?   8.994000      0.2353000                  ?              ?
  1 1 1       0  -13   14 f    4.466000      0.1992000       4.380000 0.2900000       4.552000      0.2733000     -0.1718000      0.3985000
  1 1 1       0  -13   15 o    7.076000      0.1771000       7.008000 0.2542000       7.145000      0.2467000     -0.1368000      0.3542000
  1 1 1       0  -13   16 o    3.405000      0.2671000       3.513000 0.3479000       3.297000      0.4053000      0.2154000      0.5342000
  1 1 1       0  -13   17 o    8.401000      0.1895000       8.447000 0.2698000       8.355000      0.2663000      0.9202000E-01  0.3791000
  1 1 1       0  -13   18 o    2.784000      0.3735000       2.524000 0.5535000       3.045000      0.5016000     -0.5210000      0.7470000
  1 1 1       0  -13   19 o    6.825000      0.2049000       6.825000 0.2844000       6.824000      0.2951000      0.5651000E-03  0.4099000
  1 1 1       0  -13   20 o    3.240000      0.3579000       2.603000 0.5617000       3.877000      0.4436000      -1.274000      0.7158000
  1 1 1       0  -13   21 f    7.325000      0.2098000       7.106000 0.2919000       7.544000      0.3015000     -0.4376000      0.4196000
  1 1 1       0  -13   22 o    7.298000      0.2184000       7.228000 0.3093000       7.367000      0.3084000     -0.1387000      0.4368000
  1 1 1       0  -13   23 o    3.423000      0.3777000       3.627000 0.4757000       3.219000      0.5868000      0.4082000      0.7554000
  1 1 1       0  -13   24 o    3.531000      0.4023000       3.842000 0.4735000       3.221000      0.6504000      0.6210000      0.8046000
  1 1 1       0  -13   25 f    6.595000      0.4043000       6.420000 0.6274000       6.770000      0.5100000     -0.3498000      0.8086000
  1 1 1       0  -13   26 o    4.383000      0.6286000       4.791000 0.9503000       3.975000      0.8230000      0.8163000       1.257000
  1 1 1       0  -13   27 o    5.593000      0.3129000       5.574000 0.4173000       5.612000      0.4663000     -0.3799000E-01  0.6258000
  1 1 1       0  -13   28 o    3.106000      0.4983000       3.844000 0.5819000       2.369000      0.8091000       1.475000      0.9966000
  1 1 1       0  -13   29 o    2.277000      0.5760000       2.114000 0.7698000       2.440000      0.8570000     -0.3252000       1.152000
  1 1 1       0  -13   30 o    1.879000      0.5709000       2.088000 0.8159000       1.670000      0.7987000      0.4179000       1.142000
  1 1 1       0  -13   31 o    3.169000      0.6881000       3.060000 0.8574000       3.277000       1.076000     -0.2167000       1.376000
  1 1 1       0  -13   32 f    2.259000      0.6041000       2.070000 0.8082000       2.448000      0.8980000     -0.3785000       1.208000
  1 1 1       0  -13   33 o    2.796000      0.5680000       3.384000 0.7440000       2.208000      0.8585000       1.176000       1.136000
  1 1 1       0  -13   34 o    3.099000      0.5947000       2.994000 0.8242000       3.203000      0.8576000     -0.2084000       1.189000
  1 1 1       0  -13   35 o    2.263000      0.5900000       1.955000 0.8070000       2.571000      0.8610000     -0.6158000       1.180000
  1 1 1       0  -12    1 o    28.64000      0.4826000       27.45000 0.7549000       29.83000      0.6014000      -2.371000      0.9652000
  1 1 1       0  -12    2 o    11.68000      0.3167000       11.33000 0.3650000       12.02000      0.5178000     -0.6916000      0.6335000
  1 1 1       0  -12    3 o    2.690000      0.3573000       2.546000 0.4974000       2.835000      0.5132000     -0.2892000      0.7147000
  1 1 1       0  -12    4 o    3.288000      0.2646000       3.274000 0.3716000       3.301000      0.3767000     -0.2661000E-01  0.5291000
  1 1 1       0  -12    5 o    9.232000      0.1636000       9.183000 0.2371000       9.282000      0.2255000     -0.9869000E-01  0.3272000
  1 1 1       0  -12    6 f    24.47000      0.4077000       24.43000 0.6649000       24.50000      0.4721000     -0.7287000E-01  0.8155000
  1 1 1       0  -12    7 o    5.296000      0.1439000       5.292000 0.2139000       5.301000      0.1926000     -0.9032000E-02  0.2878000
  1 1 1       0  -12    8 o    6.518000      0.1392000       6.696000 0.2036000       6.341000      0.1897000      0.3558000      0.2783000
  1 1 1       0  -12    9 o    3.593000      0.1820000       3.584000 0.2663000       3.601000      0.2482000     -0.1779000E-01  0.3640000
  1 1 1       0  -12   10 o    2.614000      0.2493000       2.402000 0.3634000       2.826000      0.3414000     -0.4235000      0.4987000
  1 1 1       0  -12   11 o    1.827000      0.3383000       2.245000 0.4081000       1.409000      0.5397000      0.8357000      0.6766000
  1 1 1       0  -12   12 o    2.773000      0.2542000       2.532000 0.3783000       3.015000      0.3398000     -0.4828000      0.5085000
  1 1 1       0  -12   13 o    9.676000      0.2417000                  ?       ?   9.676000      0.2417000                  ?              ?
  1 1 1       0  -12   14 o    3.161000      0.2740000       2.946000 0.4172000       3.376000      0.3554000     -0.4299000      0.5481000
  1 1 1       0  -12   15 o    4.939000      0.1977000       4.959000 0.2758000       4.919000      0.2833000      0.4008000E-01  0.3954000
  1 1 1       0  -12   16 o    12.44000      0.2039000       12.42000 0.2919000       12.46000      0.2847000     -0.4315000E-01  0.4077000
  1 1 1       0  -12   17 o    1.394000      0.4011000       1.496000 0.5737000       1.293000      0.5607000      0.2027000      0.8022000
  1 1 1       0  -12   18 f    9.631000      0.1935000       9.681000 0.2743000       9.581000      0.2731000      0.9967000E-01  0.3871000
  1 1 1       0  -12   19 o    9.039000      0.1953000       9.162000 0.2776000       8.916000      0.2747000      0.2465000      0.3905000
  1 1 1       0  -12   20 o    6.353000      0.2130000       6.226000 0.2939000       6.479000      0.3083000     -0.2523000      0.4259000
  1 1 1       0  -12   21 o    2.288000      0.4618000       2.289000 0.6213000       2.287000      0.6835000      0.1882000E-02  0.9236000
  1 1 1       0  -12   22 o    17.98000      0.2727000       18.23000 0.3912000       17.72000      0.3799000      0.5115000      0.5453000
  1 1 1       0  -12   23 o    2.264000      0.4750000       2.402000 0.6256000       2.126000      0.7150000      0.2764000      0.9500000
  1 1 1       0  -12   24 o    2.066000      0.4952000       1.862000 0.6733000       2.270000      0.7262000     -0.4087000      0.9904000
  1 1 1       0  -12   25 o    6.868000      0.2419000       6.722000 0.3315000       7.014000      0.3523000     -0.2923000      0.4837000
  1 1 1       0  -12   26 o    10.97000      0.2330000       11.24000 0.3251000       10.70000      0.3339000      0.5437000      0.4661000
  1 1 1       0  -12   27 o    3.271000      0.6807000       4.126000 1.029000       2.416000      0.8909000       1.711000       1.361000
  1 1 1       0  -12   28 o    9.890000      0.3964000       10.17000 0.6247000       9.607000      0.4880000      0.5671000      0.7927000
  1 1 1       0  -12   29 o    2.230000      0.5334000       1.629000 0.7050000       2.831000      0.8007000      -1.202000       1.067000
  1 1 1       0  -12   30 o    7.589000      0.2803000       7.533000 0.3839000       7.646000      0.4086000     -0.1131000      0.5606000
  1 1 1       0  -12   31 o    8.545000      0.3706000       9.272000 0.4396000       7.818000      0.5967000       1.454000      0.7411000
  1 1 1       0  -12   32 f    7.456000      0.4157000       8.052000 0.4739000       6.860000      0.6832000       1.192000      0.8315000
  1 1 1       0  -12   33 o    1.919000      0.5434000       1.400000 0.6647000       2.438000      0.8599000      -1.038000       1.087000
  1 1 1       0  -12   34 o    3.114000      0.5827000       2.618000 0.8558000       3.609000      0.7909000     -0.9911000       1.165000
  1 1 1       0  -12   35 o    2.029000      0.5822000       2.248000 0.8556000       1.811000      0.7896000      0.4375000       1.164000
  1 1 1       0  -11    1 o    3.184000      0.5307000       3.287000 0.6091000       3.080000      0.8693000      0.2069000       1.061000
  1 1 1       0  -11    2 f    16.47000      0.3769000                  ?       ?   16.47000      0.3769000                  ?              ?
  1 1 1       0  -11    3 o    10.80000      0.1967000       10.75000 0.2893000       10.84000      0.2666000     -0.8119000E-01  0.3934000
  1 1 1       0  -11    4 o    21.90000      0.3667000       21.76000 0.5938000       22.04000      0.4303000     -0.2792000      0.7333000
  1 1 1       0  -11    5 o    12.65000      0.1881000       12.59000 0.2691000       12.70000      0.2630000     -0.1112000      0.3763000
  1 1 1       0  -11    6 o    19.04000      0.2642000       19.32000 0.3802000       18.76000      0.3669000      0.5590000      0.5284000
  1 1 1       0  -11    7 o    12.65000      0.2242000       12.79000 0.2657000       12.50000      0.3612000      0.2867000      0.4484000
  1 1 1       0  -11    8 o    3.358000      0.1756000       3.606000 0.2484000       3.110000      0.2482000      0.4962000      0.3512000
  1 1 1       0  -11    9 o    8.686000      0.1518000       8.698000 0.2156000       8.674000      0.2137000      0.2377000E-01  0.3035000
  1 1 1       0  -11   10 o    10.56000      0.1702000       10.60000 0.2409000       10.53000      0.2404000      0.6237000E-01  0.3403000
  1 1 1       0  -11   11 o    2.300000      0.2949000       2.689000 0.3312000       1.912000      0.4880000      0.7767000      0.5898000
  1 1 1       0  -11   12 o    4.488000      0.1854000       4.572000 0.2608000       4.405000      0.2636000      0.1672000      0.3708000
  1 1 1       0  -11   13 o    3.691000      0.2181000       3.536000 0.3183000       3.846000      0.2984000     -0.3098000      0.4363000
  1 1 1       0  -11   14 o    1.523000      0.3785000       1.774000 0.5388000       1.272000      0.5318000      0.5023000      0.7570000
  1 1 1       0  -11   15 o    5.361000      0.1919000       5.432000 0.2694000       5.291000      0.2733000      0.1407000      0.3837000
  1 1 1       0  -11   16 o    7.542000      0.1776000       7.690000 0.2502000       7.394000      0.2522000      0.2961000      0.3553000
  1 1 1       0  -11   17 o    2.568000      0.3651000       2.100000 0.5645000       3.037000      0.4631000     -0.9374000      0.7302000
  1 1 1       0  -11   18 o    11.17000      0.1997000       11.30000 0.2856000       11.04000      0.2792000      0.2542000      0.3994000
  1 1 1       0  -11   19 o    4.205000      0.2608000       4.265000 0.3439000       4.144000      0.3923000      0.1215000      0.5217000
  1 1 1       0  -11   20 o    4.307000      0.2683000       3.805000 0.3902000       4.809000      0.3683000      -1.004000      0.5365000
  1 1 1       0  -11   21 o    5.841000      0.2270000       5.564000 0.3145000       6.117000      0.3274000     -0.5530000      0.4540000
  1 1 1       0  -11   22 o    14.44000      0.2361000       14.56000 0.3346000       14.31000      0.3330000      0.2512000      0.4721000
  1 1 1       0  -11   23 o    1.598000      0.4609000       1.629000 0.6465000       1.566000      0.6571000      0.6316000E-01  0.9218000
  1 1 1       0  -11   24 o    2.175000      0.4862000       2.430000 0.6575000       1.920000      0.7163000      0.5100000      0.9724000
  1 1 1       0  -11   25 o    3.566000      0.3961000       3.703000 0.4991000       3.430000      0.6151000      0.2731000      0.7921000
  1 1 1       0  -11   26 f    1.757000      0.5008000       1.552000 0.6652000       1.962000      0.7488000     -0.4097000       1.002000
  1 1 1       0  -11   27 o    13.53000      0.2465000       13.42000 0.3487000       13.64000      0.3486000     -0.2190000      0.4931000
  1 1 1       0  -11   28 o    8.591000      0.3992000       8.750000 0.6282000       8.432000      0.4926000      0.3177000      0.7983000
  1 1 1       0  -11   29 o    3.888000      0.6660000       2.766000 1.114000       5.010000      0.7300000      -2.244000       1.332000
  1 1 1       0  -11   30 o    14.43000      0.2678000       14.63000 0.3811000       14.22000      0.3762000      0.4052000      0.5355000
  1 1 1       0  -11   31 o    8.670000      0.2784000       8.720000 0.3829000       8.619000      0.4042000      0.1006000      0.5568000
  1 1 1       0  -11   32 o    3.105000      0.6074000       4.026000 0.7471000       2.185000      0.9579000       1.841000       1.215000
  1 1 1       0  -11   33 o    2.307000      0.6708000       2.114000 0.8704000       2.500000       1.021000     -0.3863000       1.342000
  1 1 1       0  -11   34 o    4.548000      0.4892000       5.379000 0.5465000       3.718000      0.8115000       1.662000      0.9783000
  1 1 1       0  -11   35 f    2.964000      0.5974000       2.992000 0.8355000       2.937000      0.8542000      0.5442000E-01   1.195000
  1 1 1       0  -11   36 o    2.194000      0.6011000       2.244000 0.8609000       2.143000      0.8391000      0.1013000       1.202000
  1 1 1       0  -10    1 o    12.85000      0.5445000       13.96000 0.9901000       11.74000      0.4536000       2.219000       1.089000
  1 1 1       0  -10    2 o    17.61000      0.4613000       17.90000 0.7631000       17.32000      0.5184000      0.5816000      0.9225000
  1 1 1       0  -10    4 o    26.03000      0.5057000       26.72000 0.7404000       25.33000      0.6891000       1.391000       1.011000
  1 1 1       0  -10    6 o    4.933000      0.1767000       4.865000 0.2561000       5.002000      0.2436000     -0.1375000      0.3535000
  1 1 1       0  -10    7 o    24.81000      0.4755000       25.52000 0.6914000       24.11000      0.6529000       1.417000      0.9510000
  1 1 1       0  -10    8 o    16.83000      0.3313000       17.12000 0.4756000       16.53000      0.4615000      0.5940000      0.6627000
  1 1 1       0  -10    9 o    4.391000      0.2023000       4.488000 0.2652000       4.295000      0.3055000      0.1928000      0.4046000
  1 1 1       0  -10   10 o    8.942000      0.1563000       8.853000 0.2210000       9.030000      0.2210000     -0.1768000      0.3126000
  1 1 1       0  -10   11 o    23.96000      0.3296000       24.00000 0.4669000       23.93000      0.4654000      0.7245000E-01  0.6592000
  1 1 1       0  -10   12 f    6.369000      0.1622000       6.602000 0.2297000       6.136000      0.2290000      0.4658000      0.3244000
  1 1 1       0  -10   13 o    8.903000      0.1716000       8.779000 0.2486000       9.028000      0.2366000     -0.2496000      0.3432000
  1 1 1       0  -10   14 o    5.357000      0.1855000       5.608000 0.2604000       5.105000      0.2642000      0.5036000      0.3709000
  1 1 1       0  -10   15 o    2.017000      0.3922000       2.016000 0.5254000       2.019000      0.5825000     -0.3069000E-02  0.7845000
  1 1 1       0  -10   16 o    1.498000      0.3956000       1.633000 0.5620000       1.364000      0.5569000      0.2696000      0.7912000
  1 1 1       0  -10   17 o    9.385000      0.1849000       9.355000 0.2603000       9.415000      0.2628000     -0.5951000E-01  0.3699000
  1 1 1       0  -10   18 o    6.966000      0.1948000       7.096000 0.2723000       6.835000      0.2787000      0.2603000      0.3896000
  1 1 1       0  -10   19 o    4.895000      0.2381000       4.729000 0.3329000       5.060000      0.3405000     -0.3309000      0.4762000
  1 1 1       0  -10   20 o    5.950000      0.2840000       6.345000 0.3037000       5.554000      0.4801000      0.7909000      0.5681000
  1 1 1       0  -10   21 o    2.667000      0.4309000       2.817000 0.5662000       2.518000      0.6496000      0.2992000      0.8617000
  1 1 1       0  -10   22 o    11.18000      0.2144000       11.19000 0.3004000       11.17000      0.3059000      0.2919000E-01  0.4287000
  1 1 1       0  -10   23 o    3.408000      0.3741000       3.465000 0.4836000       3.351000      0.5709000      0.1134000      0.7482000
  1 1 1       0  -10   24 o    3.299000      0.4025000       3.785000 0.4534000       2.814000      0.6651000      0.9702000      0.8049000
  1 1 1       0  -10   25 o    2.471000      0.4977000       2.239000 0.7121000       2.703000      0.6955000     -0.4642000      0.9954000
  1 1 1       0  -10   26 o    13.10000      0.2405000       13.22000 0.3405000       12.98000      0.3397000      0.2385000      0.4810000
  1 1 1       0  -10   27 o    10.15000      0.2323000       9.910000 0.3266000       10.39000      0.3304000     -0.4832000      0.4646000
  1 1 1       0  -10   28 o    2.671000      0.5461000       2.586000 0.7423000       2.757000      0.8013000     -0.1709000       1.092000
  1 1 1       0  -10   29 o    2.823000      0.7342000       3.288000 1.145000       2.358000      0.9192000      0.9301000       1.468000
  1 1 1       0  -10   30 o    13.75000      0.3936000       13.51000 0.5934000       13.98000      0.5172000     -0.4686000      0.7872000
  1 1 1       0  -10   31 o    4.692000      0.4292000       4.702000 0.5908000       4.683000      0.6227000      0.1874000E-01  0.8584000
  1 1 1       0  -10   32 o    2.400000      0.6162000       2.289000 0.8597000       2.510000      0.8830000     -0.2213000       1.232000
  1 1 1       0  -10   33 o    2.311000      0.6760000       1.985000 0.8586000       2.637000       1.044000     -0.6516000       1.352000
  1 1 1       0  -10   34 o    5.557000      0.5331000       6.116000 0.6189000       4.998000      0.8682000       1.119000       1.066000
  1 1 1       0  -10   35 o    2.131000      0.5791000       1.828000 0.7743000       2.435000      0.8612000     -0.6070000       1.158000
  1 1 1       0  -10   36 f    1.890000      0.5624000       1.894000 0.7979000       1.886000      0.7927000      0.8747000E-02   1.125000
  1 1 1       0   -9    1 o    13.68000      0.3188000       13.80000 0.3671000       13.56000      0.5213000      0.2444000      0.6376000
  1 1 1       0   -9    2 o    36.77000      0.5007000       37.06000 0.7177000       36.47000      0.6984000      0.5882000       1.001000
  1 1 1       0   -9    3 o    21.16000      0.3516000       20.58000 0.5611000       21.75000      0.4239000      -1.171000      0.7032000
  1 1 1       0   -9    4 o    13.64000      0.1955000       13.43000 0.2751000       13.85000      0.2779000     -0.4266000      0.3910000
  1 1 1       0   -9    5 o    36.84000      0.4943000       37.14000 0.7050000       36.54000      0.6930000      0.5999000      0.9886000
  1 1 1       0   -9    6 o    18.26000      0.2520000       18.50000 0.3607000       18.03000      0.3519000      0.4670000      0.5039000
  1 1 1       0   -9    7 o    18.52000      0.2555000       18.43000 0.3599000       18.60000      0.3628000     -0.1745000      0.5110000
  1 1 1       0   -9    8 o    7.847000      0.1781000       7.747000 0.2025000       7.948000      0.2930000     -0.2008000      0.3561000
  1 1 1       0   -9    9 o    13.30000      0.1960000       13.33000 0.2784000       13.26000      0.2758000      0.6178000E-01  0.3919000
  1 1 1       0   -9   10 o    22.39000      0.4347000       22.18000 0.6083000       22.59000      0.6211000     -0.4128000      0.8693000
  1 1 1       0   -9   11 o    29.05000      0.5578000       29.84000 0.8081000       28.27000      0.7690000       1.568000       1.116000
  1 1 1       0   -9   12 o    5.953000      0.2889000       5.953000 0.2889000                  ?              ?              ?              ?
  1 1 1       0   -9   13 o    5.018000      0.2340000       5.225000 0.2932000       4.810000      0.3649000      0.4152000      0.4681000
  1 1 1       0   -9   14 o    4.190000      0.3097000                  ?       ?   4.190000      0.3097000                  ?              ?
  1 1 1       0   -9   15 o    7.236000      0.1755000       6.995000 0.2511000       7.477000      0.2453000     -0.4826000      0.3511000
  1 1 1       0   -9   16 o    10.01000      0.1860000       10.02000 0.2639000       10.01000      0.2621000      0.9486000E-02  0.3719000
  1 1 1       0   -9   17 o    1.171000      0.3674000       1.140000 0.5063000       1.201000      0.5324000     -0.6007000E-01  0.7347000
  1 1 1       0   -9   18 o    7.078000      0.1914000       6.940000 0.2681000       7.216000      0.2732000     -0.2767000      0.3828000
  1 1 1       0   -9   19 o    10.05000      0.2001000       9.963000 0.2817000       10.14000      0.2843000     -0.1783000      0.4002000
  1 1 1       0   -9   20 o    2.250000      0.4409000       2.207000 0.6011000       2.293000      0.6451000     -0.8626000E-01  0.8817000
  1 1 1       0   -9   21 o    20.55000      0.2996000       20.77000 0.4279000       20.32000      0.4194000      0.4497000      0.5992000
  1 1 1       0   -9   22 o    7.657000      0.2139000       7.684000 0.2957000       7.631000      0.3091000      0.5258000E-01  0.4278000
  1 1 1       0   -9   23 o    5.671000      0.2547000       5.774000 0.3373000       5.568000      0.3818000      0.2061000      0.5095000
  1 1 1       0   -9   24 f    3.065000      0.4310000       3.287000 0.5383000       2.843000      0.6733000      0.4436000      0.8620000
  1 1 1       0   -9   25 o    8.628000      0.2275000       8.408000 0.3202000       8.848000      0.3234000     -0.4404000      0.4551000
  1 1 1       0   -9   26 o    15.96000      0.2606000       15.98000 0.3686000       15.94000      0.3685000      0.4107000E-01  0.5212000
  1 1 1       0   -9   27 o    2.429000      0.5214000       2.212000 0.7337000       2.646000      0.7411000     -0.4344000       1.043000
  1 1 1       0   -9   28 o    3.221000      0.4952000       2.682000 0.7563000       3.760000      0.6396000      -1.077000      0.9905000
  1 1 1       0   -9   29 o    3.702000      0.4613000       3.542000 0.6397000       3.862000      0.6648000     -0.3200000      0.9226000
  1 1 1       0   -9   30 o    4.312000      0.6675000       3.350000 1.145000       5.275000      0.6858000      -1.925000       1.335000
  1 1 1       0   -9   31 o    11.16000      0.4125000       10.40000 0.6508000       11.93000      0.5072000      -1.526000      0.8251000
  1 1 1       0   -9   32 o    5.781000      0.3611000       5.724000 0.4980000       5.839000      0.5229000     -0.1154000      0.7221000
  1 1 1       0   -9   33 f    2.260000      0.6111000       2.312000 0.8470000       2.207000      0.8812000      0.1050000       1.222000
  1 1 1       0   -9   34 o    8.900000      0.3806000       8.661000 0.4994000       9.140000      0.5746000     -0.4791000      0.7612000
  1 1 1       0   -9   35 o    1.740000      0.5391000       1.918000 0.8043000       1.562000      0.7182000      0.3555000       1.078000
  1 1 1       0   -9   36 o    2.339000      0.5802000       1.735000 0.7703000       2.942000      0.8679000      -1.206000       1.160000
  1 1 1       0   -8    1 o    22.41000      0.4493000       21.76000 0.5973000       23.06000      0.6714000      -1.299000      0.8986000
  1 1 1       0   -8    2 o    10.77000      0.1763000       10.64000 0.2578000       10.89000      0.2404000     -0.2489000      0.3526000
  1 1 1       0   -8    3 o    4.004000      0.1360000       4.097000 0.2002000       3.911000      0.1840000      0.1860000      0.2719000
  1 1 1       0   -8    4 f    32.87000      0.6243000       31.75000 0.8525000       33.99000      0.9123000      -2.234000       1.249000
  1 1 1       0   -8    5 o    14.37000      0.2844000       14.51000 0.4063000       14.22000      0.3980000      0.2887000      0.5688000
  1 1 1       0   -8    6 o    13.89000      0.2803000       13.56000 0.3899000       14.22000      0.4027000     -0.6622000      0.5606000
  1 1 1       0   -8    7 o    6.601000      0.1988000       6.513000 0.2926000       6.689000      0.2692000     -0.1760000      0.3976000
  1 1 1       0   -8    8 o    12.17000      0.2596000       11.94000 0.3662000       12.39000      0.3680000     -0.4478000      0.5192000
  1 1 1       0   -8    9 o    20.85000      0.4087000       20.73000 0.5764000       20.98000      0.5795000     -0.2517000      0.8174000
  1 1 1       0   -8   10 o    36.78000      0.4959000       36.54000 0.6963000       37.02000      0.7062000     -0.4835000      0.9918000
  1 1 1       0   -8   11 o    11.69000      0.1834000       11.56000 0.2564000       11.82000      0.2623000     -0.2594000      0.3668000
  1 1 1       0   -8   12 o    11.75000      0.2652000       11.75000 0.2652000                  ?              ?              ?              ?
  1 1 1       0   -8   14 o    9.422000      0.3513000                  ?       ?   9.422000      0.3513000                  ?              ?
  1 1 1       0   -8   15 o    20.36000      0.4059000       20.84000 0.5836000       19.88000      0.5645000      0.9621000      0.8119000
  1 1 1       0   -8   16 o    13.65000      0.2150000       13.68000 0.3059000       13.63000      0.3022000      0.5636000E-01  0.4300000
  1 1 1       0   -8   17 o    4.682000      0.2233000       4.406000 0.3194000       4.958000      0.3123000     -0.5519000      0.4467000
  1 1 1       0   -8   18 o    1.609000      0.4192000       1.807000 0.5954000       1.412000      0.5904000      0.3951000      0.8384000
  1 1 1       0   -8   19 o    1.792000      0.4499000       1.788000 0.6164000       1.796000      0.6555000     -0.8235000E-02  0.8998000
  1 1 1       0   -8   20 o    2.503000      0.4220000       2.824000 0.5250000       2.182000      0.6607000      0.6424000      0.8439000
  1 1 1       0   -8   21 o    8.824000      0.3079000       8.749000 0.4614000       8.898000      0.4077000     -0.1488000      0.6157000
  1 1 1       0   -8   22 o    5.933000      0.2421000       6.060000 0.3264000       5.807000      0.3576000      0.2533000      0.4842000
  1 1 1       0   -8   23 o    7.261000      0.2232000       7.211000 0.3050000       7.312000      0.3258000     -0.1010000      0.4463000
  1 1 1       0   -8   24 o    18.22000      0.2771000       18.25000 0.3928000       18.20000      0.3910000      0.5224000E-01  0.5542000
  1 1 1       0   -8   25 o    10.60000      0.2205000       10.82000 0.3103000       10.37000      0.3133000      0.4493000      0.4409000
  1 1 1       0   -8   26 o    4.245000      0.3417000       4.384000 0.4506000       4.106000      0.5138000      0.2783000      0.6834000
  1 1 1       0   -8   27 o    5.019000      0.3079000       4.540000 0.4595000       5.497000      0.4101000     -0.9568000      0.6159000
  1 1 1       0   -8   28 o    2.794000      0.5176000       2.539000 0.7490000       3.049000      0.7144000     -0.5098000       1.035000
  1 1 1       0   -8   29 o    4.390000      0.3997000       4.447000 0.5144000       4.332000      0.6119000      0.1146000      0.7995000
  1 1 1       0   -8   30 f    2.154000      0.5663000       1.919000 0.7703000       2.389000      0.8302000     -0.4700000       1.133000
  1 1 1       0   -8   31 o    9.177000      0.4250000       8.512000 0.6794000       9.843000      0.5108000      -1.330000      0.8500000
  1 1 1       0   -8   32 o    7.376000      0.3084000       7.360000 0.4353000       7.391000      0.4369000     -0.3074000E-01  0.6167000
  1 1 1       0   -8   33 o    5.250000      0.4013000       5.699000 0.5129000       4.800000      0.6174000      0.8994000      0.8026000
  1 1 1       0   -8   34 o    7.101000      0.4609000       7.052000 0.5424000       7.149000      0.7453000     -0.9709000E-01  0.9217000
  1 1 1       0   -8   35 o    2.539000      0.6774000       1.980000 0.8599000       3.099000       1.047000      -1.118000       1.355000
  1 1 1       0   -8   36 o    4.112000      0.5099000       3.601000 0.7991000       4.623000      0.6336000      -1.022000       1.020000
  1 1 1       0   -8   37 o    1.679000      0.5298000       1.550000 0.7081000       1.808000      0.7884000     -0.2573000       1.060000
  1 1 1       0   -7    1 o    8.907000      0.1906000       8.818000 0.2696000       8.996000      0.2694000     -0.1781000      0.3812000
  1 1 1       0   -7    2 o    23.59000      0.3862000       22.57000 0.6105000       24.60000      0.4731000      -2.036000      0.7723000
  1 1 1       0   -7    3 o    8.222000      0.1314000       8.377000 0.1901000       8.067000      0.1815000      0.3103000      0.2629000
  1 1 1       0   -7    4 o    47.46000      0.6343000       47.61000 0.9004000       47.32000      0.8936000      0.2880000       1.269000
  1 1 1       0   -7    5 o    5.548000      0.1127000       5.507000 0.1594000       5.589000      0.1593000     -0.8208000E-01  0.2254000
  1 1 1       0   -7    6 o    21.53000      0.2931000       21.95000 0.4222000       21.11000      0.4066000      0.8365000      0.5862000
  1 1 1       0   -7    7 o    4.313000      0.1357000       4.341000 0.1861000       4.284000      0.1975000      0.5719000E-01  0.2714000
  1 1 1       0   -7    8 o    21.11000      0.2898000       21.14000 0.4104000       21.09000      0.4093000      0.4767000E-01  0.5797000
  1 1 1       0   -7    9 o    25.07000      0.3421000       24.82000 0.4795000       25.32000      0.4881000     -0.5029000      0.6843000
  1 1 1       0   -7   10 o    16.97000      0.3423000       16.72000 0.4808000       17.22000      0.4875000     -0.4978000      0.6847000
  1 1 1       0   -7   11 o    26.19000      0.5074000       26.31000 0.7217000       26.06000      0.7135000      0.2518000       1.015000
  1 1 1       0   -7   12 o    7.100000      0.2345000       6.732000 0.3459000       7.469000      0.3168000     -0.7365000      0.4691000
  1 1 1       0   -7   13 o    13.70000      0.2091000       13.47000 0.2924000       13.93000      0.2989000     -0.4611000      0.4182000
  1 1 1       0   -7   14 o    10.38000      0.1818000       10.57000 0.2596000       10.20000      0.2545000      0.3629000      0.3635000
  1 1 1       0   -7   15 o    1.493000      0.4366000       1.405000 0.5851000       1.582000      0.6482000     -0.1770000      0.8732000
  1 1 1       0   -7   16 o    3.637000      0.3603000       3.032000 0.5510000       4.243000      0.4643000      -1.211000      0.7206000
  1 1 1       0   -7   17 o    6.044000      0.1977000       6.206000 0.2697000       5.883000      0.2893000      0.3229000      0.3955000
  1 1 1       0   -7   18 o    14.83000      0.2323000       14.66000 0.3251000       15.01000      0.3318000     -0.3465000      0.4645000
  1 1 1       0   -7   19 o    7.471000      0.2609000       7.558000 0.3585000       7.385000      0.3791000      0.1730000      0.5218000
  1 1 1       0   -7   20 o    3.893000      0.2961000       3.980000 0.4039000       3.806000      0.4330000      0.1739000      0.5921000
  1 1 1       0   -7   21 o    4.136000      0.2797000       4.344000 0.3670000       3.929000      0.4223000      0.4153000      0.5595000
  1 1 1       0   -7   22 o    2.529000      0.4347000       2.280000 0.6396000       2.778000      0.5889000     -0.4982000      0.8694000
  1 1 1       0   -7   23 o    2.574000      0.4508000       2.060000 0.6844000       3.088000      0.5871000      -1.027000      0.9017000
  1 1 1       0   -7   24 o    10.13000      0.2167000       10.34000 0.3043000       9.920000      0.3085000      0.4193000      0.4333000
  1 1 1       0   -7   25 o    6.390000      0.2467000       6.217000 0.3427000       6.562000      0.3549000     -0.3454000      0.4934000
  1 1 1       0   -7   26 o    5.200000      0.2823000       5.322000 0.3849000       5.078000      0.4131000      0.2439000      0.5646000
  1 1 1       0   -7   27 o    3.454000      0.4297000       3.282000 0.6264000       3.626000      0.5884000     -0.3445000      0.8594000
  1 1 1       0   -7   28 o    7.036000      0.2553000       6.833000 0.3628000       7.240000      0.3593000     -0.4069000      0.5106000
  1 1 1       0   -7   29 o    12.78000      0.2503000       12.74000 0.3510000       12.82000      0.3569000     -0.7795000E-01  0.5005000
  1 1 1       0   -7   30 o    1.793000      0.5262000       1.569000 0.6970000       2.017000      0.7884000     -0.4472000       1.052000
  1 1 1       0   -7   31 o    6.691000      0.5135000       6.050000 0.8615000       7.333000      0.5592000      -1.283000       1.027000
  1 1 1       0   -7   32 o    3.108000      0.7659000       3.430000 1.176000       2.785000      0.9813000      0.6456000       1.532000
  1 1 1       0   -7   33 o    3.216000      0.5633000       2.647000 0.8455000       3.786000      0.7445000      -1.139000       1.127000
  1 1 1       0   -7   34 o    4.310000      0.4887000       4.193000 0.7170000       4.427000      0.6643000     -0.2338000      0.9774000
  1 1 1       0   -7   35 o    4.238000      0.6385000       3.757000 0.9572000       4.718000      0.8452000     -0.9610000       1.277000
  1 1 1       0   -7   36 o    2.102000      0.5709000       2.527000 0.8589000       1.676000      0.7524000      0.8503000       1.142000
  1 1 1       0   -7   37 o    3.293000      0.5601000       2.755000 0.8604000       3.830000      0.7172000      -1.075000       1.120000
  1 1 1       0   -6    1 o    7.723000      0.1887000       7.850000 0.2391000       7.597000      0.2919000      0.2529000      0.3773000
  1 1 1       0   -6    2 o    6.564000      0.1247000       6.578000 0.1821000       6.549000      0.1705000      0.2918000E-01  0.2495000
  1 1 1       0   -6    3 o    20.29000      0.3331000       19.71000 0.5328000       20.88000      0.4000000      -1.177000      0.6663000
  1 1 1       0   -6    4 o    16.42000      0.2248000       16.56000 0.3207000       16.29000      0.3150000      0.2699000      0.4495000
  1 1 1       0   -6    5 o    9.819000      0.1459000       10.05000 0.2105000       9.586000      0.2022000      0.4650000      0.2919000
  1 1 1       0   -6    6 o    22.72000      0.3085000       22.69000 0.4359000       22.75000      0.4367000     -0.5353000E-01  0.6170000
  1 1 1       0   -6    7 o    2.796000      0.2301000       2.692000 0.3247000       2.900000      0.3262000     -0.2076000      0.4603000
  1 1 1       0   -6    8 o    16.35000      0.2296000       16.31000 0.3240000       16.38000      0.3255000     -0.6266000E-01  0.4593000
  1 1 1       0   -6    9 o    8.556000      0.1888000       8.243000 0.3110000       8.869000      0.2140000     -0.6260000      0.3775000
  1 1 1       0   -6   10 o    10.25000      0.1651000       10.21000 0.2329000       10.30000      0.2342000     -0.8408000E-01  0.3303000
  1 1 1       0   -6   11 o    16.73000      0.2391000       16.62000 0.3362000       16.84000      0.3399000     -0.2246000      0.4781000
  1 1 1       0   -6   12 o    14.82000      0.3096000       15.15000 0.4473000       14.49000      0.4283000      0.6606000      0.6193000
  1 1 1       0   -6   13 o    6.814000      0.2359000       6.314000 0.3449000       7.314000      0.3219000      -1.001000      0.4718000
  1 1 1       0   -6   14 o    6.292000      0.1721000       6.406000 0.2428000       6.178000      0.2441000      0.2280000      0.3443000
  1 1 1       0   -6   15 o    7.432000      0.1729000       7.573000 0.2459000       7.291000      0.2431000      0.2819000      0.3458000
  1 1 1       0   -6   16 o    8.199000      0.2475000       8.325000 0.3353000       8.074000      0.3643000      0.2507000      0.4951000
  1 1 1       0   -6   17 o    4.669000      0.3103000       4.762000 0.3814000       4.576000      0.4894000      0.1857000      0.6205000
  1 1 1       0   -6   18 o    8.293000      0.1874000       8.087000 0.2633000       8.499000      0.2668000     -0.4120000      0.3748000
  1 1 1       0   -6   19 o    3.017000      0.3539000       3.007000 0.4936000       3.027000      0.5073000     -0.1944000E-01  0.7078000
  1 1 1       0   -6   20 o    4.811000      0.2461000       4.992000 0.3347000       4.629000      0.3609000      0.3626000      0.4922000
  1 1 1       0   -6   21 o    3.798000      0.3104000       4.006000 0.4118000       3.591000      0.4644000      0.4154000      0.6207000
  1 1 1       0   -6   22 o    6.144000      0.2325000       5.986000 0.3306000       6.302000      0.3271000     -0.3160000      0.4651000
  1 1 1       0   -6   23 o    12.59000      0.2235000       12.36000 0.3132000       12.82000      0.3189000     -0.4675000      0.4470000
  1 1 1       0   -6   24 o    7.192000      0.2294000       7.114000 0.3237000       7.269000      0.3250000     -0.1548000      0.4587000
  1 1 1       0   -6   25 o    2.270000      0.4823000       2.643000 0.6564000       1.897000      0.7069000      0.7461000      0.9646000
  1 1 1       0   -6   26 o    3.866000      0.3764000       4.313000 0.4611000       3.420000      0.5952000      0.8930000      0.7529000
  1 1 1       0   -6   27 o    5.413000      0.2999000       4.811000 0.4613000       6.015000      0.3833000      -1.204000      0.5998000
  1 1 1       0   -6   28 o    11.79000      0.2385000       12.08000 0.3382000       11.50000      0.3362000      0.5801000      0.4769000
  1 1 1       0   -6   29 o    3.722000      0.4348000       3.600000 0.6146000       3.845000      0.6153000     -0.2447000      0.8696000
  1 1 1       0   -6   30 o    13.21000      0.2529000       13.23000 0.3563000       13.20000      0.3589000      0.3149000E-01  0.5057000
  1 1 1       0   -6   31 f    1.963000      0.5281000       1.422000 0.6634000       2.504000      0.8219000      -1.082000       1.056000
  1 1 1       0   -6   32 o    2.688000      0.6962000       3.563000 1.122000       1.814000      0.8248000       1.748000       1.392000
  1 1 1       0   -6   33 o    1.811000      0.5469000       1.557000 0.7136000       2.064000      0.8290000     -0.5070000       1.094000
  1 1 1       0   -6   34 o    4.497000      0.4546000       4.838000 0.5917000       4.156000      0.6904000      0.6822000      0.9093000
  1 1 1       0   -6   35 o    4.815000      0.5858000       5.562000 0.6945000       4.067000      0.9435000       1.495000       1.172000
  1 1 1       0   -6   36 o    2.919000      0.5708000       3.691000 0.7652000       2.148000      0.8471000       1.543000       1.142000
  1 1 1       0   -6   37 o    4.689000      0.4489000       4.052000 0.7152000       5.327000      0.5426000      -1.275000      0.8977000
  1 1 1       0   -5    1 o    3.375000      0.3676000       3.583000 0.6871000       3.167000      0.2619000      0.4155000      0.7353000
  1 1 1       0   -5    2 o    25.97000      0.3501000       26.11000 0.4969000       25.84000      0.4934000      0.2724000      0.7003000
  1 1 1       0   -5    3 o    10.44000      0.1482000       10.30000 0.2077000       10.58000      0.2115000     -0.2803000      0.2964000
  1 1 1       0   -5    4 o    3.934000      0.1026000       4.051000 0.1437000       3.817000      0.1466000      0.2345000      0.2053000
  1 1 1       0   -5    5 o    10.08000      0.1491000       10.16000 0.2127000       10.01000      0.2091000      0.1493000      0.2983000
  1 1 1       0   -5    6 o    2.830000      0.1538000       3.025000 0.2044000       2.635000      0.2299000      0.3905000      0.3077000
  1 1 1       0   -5    7 o    12.17000      0.2521000       12.29000 0.3604000       12.04000      0.3527000      0.2505000      0.5043000
  1 1 1       0   -5    8 o    10.93000      0.1651000       10.75000 0.2309000       11.12000      0.2362000     -0.3717000      0.3303000
  1 1 1       0   -5    9 o    4.312000      0.1468000       4.589000 0.1984000       4.034000      0.2163000      0.5548000      0.2935000
  1 1 1       0   -5   10 o    5.731000      0.1424000       5.691000 0.1984000       5.772000      0.2044000     -0.8182000E-01  0.2848000
  1 1 1       0   -5   11 o    6.876000      0.1494000       6.784000 0.2091000       6.967000      0.2133000     -0.1835000      0.2987000
  1 1 1       0   -5   12 o    11.62000      0.1824000       11.50000 0.2551000       11.73000      0.2607000     -0.2274000      0.3647000
  1 1 1       0   -5   13 o    14.56000      0.3073000       14.56000 0.3073000                  ?              ?              ?              ?
  1 1 1       0   -5   14 o    9.591000      0.2463000       9.240000 0.3482000       9.942000      0.3485000     -0.7022000      0.4926000
  1 1 1       0   -5   15 o    3.478000      0.3649000                  ?       ?   3.478000      0.3649000                  ?              ?
  1 1 1       0   -5   16 o    16.03000      0.2379000       16.16000 0.3394000       15.90000      0.3335000      0.2603000      0.4758000
  1 1 1       0   -5   17 o    2.353000      0.4386000       3.081000 0.5529000       1.624000      0.6811000       1.457000      0.8772000
  1 1 1       0   -5   18 o    3.295000      0.4238000       2.790000 0.6280000       3.801000      0.5693000      -1.012000      0.8476000
  1 1 1       0   -5   19 o    3.526000      0.2895000       3.422000 0.4076000       3.630000      0.4113000     -0.2082000      0.5790000
  1 1 1       0   -5   20 o    1.528000      0.4085000       1.100000 0.5102000       1.957000      0.6381000     -0.8563000      0.8170000
  1 1 1       0   -5   21 o    2.391000      0.4361000       2.370000 0.6082000       2.412000      0.6252000     -0.4190000E-01  0.8722000
  1 1 1       0   -5   22 o    3.601000      0.3425000       3.412000 0.4934000       3.790000      0.4752000     -0.3785000      0.6850000
  1 1 1       0   -5   23 o    11.02000      0.2145000       10.81000 0.2999000       11.23000      0.3067000     -0.4164000      0.4290000
  1 1 1       0   -5   24 o    9.248000      0.2142000       9.380000 0.3008000       9.116000      0.3051000      0.2644000      0.4284000
  1 1 1       0   -5   25 o    13.59000      0.2347000       13.87000 0.3318000       13.31000      0.3320000      0.5633000      0.4694000
  1 1 1       0   -5   26 o    9.371000      0.2230000       9.240000 0.3116000       9.502000      0.3191000     -0.2617000      0.4460000
  1 1 1       0   -5   27 o    4.624000      0.3304000       4.747000 0.4482000       4.502000      0.4855000      0.2450000      0.6607000
  1 1 1       0   -5   28 o    21.68000      0.3221000       21.82000 0.4576000       21.54000      0.4534000      0.2794000      0.6442000
  1 1 1       0   -5   29 o    1.772000      0.5002000       2.009000 0.7291000       1.535000      0.6850000      0.4733000       1.000000
  1 1 1       0   -5   30 o    12.95000      0.2504000       13.02000 0.3517000       12.88000      0.3566000      0.1390000      0.5008000
  1 1 1       0   -5   31 o    2.457000      0.5729000       2.804000 0.8104000       2.110000      0.8101000      0.6933000       1.146000
  1 1 1       0   -5   32 o    2.523000      0.7075000       2.568000 1.041000       2.479000      0.9584000      0.8855000E-01   1.415000
  1 1 1       0   -5   33 o    1.584000      0.5086000       1.668000 0.7417000       1.501000      0.6961000      0.1672000       1.017000
  1 1 1       0   -5   34 f    4.026000      0.4905000       3.976000 0.6990000       4.076000      0.6882000     -0.9959000E-01  0.9809000
  1 1 1       0   -5   35 o    2.636000      0.7048000       2.287000 0.9270000       2.985000       1.062000     -0.6984000       1.410000
  1 1 1       0   -5   36 o    4.027000      0.6694000       3.881000 0.9430000       4.173000      0.9505000     -0.2914000       1.339000
  1 1 1       0   -5   37 o    2.929000      0.5935000       3.056000 0.8208000       2.802000      0.8575000      0.2539000       1.187000
  1 1 1       0   -4    1 o    10.23000      0.1817000       10.27000 0.2923000       10.20000      0.2161000      0.7016000E-01  0.3635000
  1 1 1       0   -4    2 o    9.224000      0.1313000       9.003000 0.1822000       9.445000      0.1890000     -0.4418000      0.2625000
  1 1 1       0   -4    3 o    28.38000      0.3802000       28.68000 0.5434000       28.07000      0.5320000      0.6096000      0.7604000
  1 1 1       0   -4    4 o    20.87000      0.2826000       20.95000 0.4008000       20.79000      0.3985000      0.1617000      0.5651000
  1 1 1       0   -4    5 o    39.95000      0.5351000       39.94000 0.7571000       39.96000      0.7564000     -0.2464000E-01   1.070000
  1 1 1       0   -4    6 o    10.63000      0.1567000       10.66000 0.2220000       10.60000      0.2213000      0.5701000E-01  0.3135000
  1 1 1       0   -4    7 o    2.466000      0.2823000       2.491000 0.4102000       2.442000      0.3881000      0.4884000E-01  0.5647000
  1 1 1       0   -4    8 o   0.8633000      0.2641000      0.9666000 0.3945000      0.7599000      0.3512000      0.2067000      0.5281000
  1 1 1       0   -4    9 o    16.11000      0.2272000       16.15000 0.3221000       16.06000      0.3205000      0.9433000E-01  0.4544000
  1 1 1       0   -4   10 o    28.29000      0.3836000       28.52000 0.5467000       28.06000      0.5381000      0.4626000      0.7672000
  1 1 1       0   -4   11 o    6.696000      0.1446000       6.491000 0.2016000       6.901000      0.2073000     -0.4099000      0.2892000
  1 1 1       0   -4   12 o    4.046000      0.1785000       3.794000 0.2633000       4.297000      0.2412000     -0.5035000      0.3570000
  1 1 1       0   -4   13 o    12.60000      0.2738000       12.60000 0.2738000                  ?              ?              ?              ?
  1 1 1       0   -4   14 o    25.96000      0.3571000       26.26000 0.5113000       25.65000      0.4986000      0.6111000      0.7142000
  1 1 1       0   -4   15 o    8.210000      0.3368000                  ?       ?   8.210000      0.3368000                  ?              ?
  1 1 1       0   -4   16 o    21.40000      0.3013000       21.30000 0.4248000       21.50000      0.4275000     -0.2001000      0.6027000
  1 1 1       0   -4   17 o    9.574000      0.1840000       9.363000 0.2574000       9.785000      0.2629000     -0.4220000      0.3679000
  1 1 1       0   -4   18 o    1.691000      0.4645000       1.906000 0.6586000       1.477000      0.6551000      0.4291000      0.9289000
  1 1 1       0   -4   19 o    1.609000      0.4740000       1.468000 0.6287000       1.749000      0.7096000     -0.2804000      0.9481000
  1 1 1       0   -4   20 o    4.995000      0.2364000       4.866000 0.3308000       5.125000      0.3378000     -0.2583000      0.4728000
  1 1 1       0   -4   21 o    4.979000      0.2423000       4.759000 0.3483000       5.198000      0.3368000     -0.4384000      0.4845000
  1 1 1       0   -4   22 o    4.669000      0.2622000       4.744000 0.3599000       4.594000      0.3814000      0.1502000      0.5244000
  1 1 1       0   -4   23 o    6.811000      0.2187000       6.770000 0.3023000       6.853000      0.3160000     -0.8208000E-01  0.4373000
  1 1 1       0   -4   24 o    18.82000      0.2832000       18.84000 0.4008000       18.80000      0.4002000      0.3437000E-01  0.5664000
  1 1 1       0   -4   25 o    5.060000      0.2842000       5.171000 0.4005000       4.948000      0.4032000      0.2229000      0.5683000
  1 1 1       0   -4   26 o    11.05000      0.2244000       10.81000 0.3133000       11.29000      0.3213000     -0.4782000      0.4487000
  1 1 1       0   -4   27 o    6.169000      0.2685000       6.485000 0.3674000       5.852000      0.3917000      0.6329000      0.5370000
  1 1 1       0   -4   28 o    7.265000      0.2488000       7.316000 0.3543000       7.214000      0.3494000      0.1025000      0.4976000
  1 1 1       0   -4   29 o    4.234000      0.3931000       3.938000 0.5886000       4.530000      0.5212000     -0.5921000      0.7862000
  1 1 1       0   -4   30 o    5.393000      0.3273000       4.996000 0.4766000       5.790000      0.4487000     -0.7948000      0.6546000
  1 1 1       0   -4   31 o    4.846000      0.3857000       4.709000 0.5548000       4.982000      0.5358000     -0.2730000      0.7714000
  1 1 1       0   -4   32 o    3.135000      0.7043000       3.665000 1.035000       2.606000      0.9557000       1.059000       1.409000
  1 1 1       0   -4   33 o    2.094000      0.6457000       2.133000 0.9581000       2.055000      0.8659000      0.7782000E-01   1.291000
  1 1 1       0   -4   34 o    1.708000      0.5280000       1.339000 0.6470000       2.077000      0.8346000     -0.7386000       1.056000
  1 1 1       0   -4   35 o    10.85000      0.3861000       11.23000 0.5034000       10.48000      0.5855000      0.7550000      0.7722000
  1 1 1       0   -4   36 o    2.892000      0.7306000       2.487000 0.9707000       3.297000       1.092000     -0.8099000       1.461000
  1 1 1       0   -4   37 o    1.657000      0.5188000       2.021000 0.8293000       1.293000      0.6237000      0.7285000       1.038000
  1 1 1       0   -3    1 o    10.67000      0.1497000       10.63000 0.2120000       10.71000      0.2113000     -0.7737000E-01  0.2993000
  1 1 1       0   -3    2 o    49.83000      0.6645000       50.13000 0.9453000       49.54000      0.9341000      0.5876000       1.329000
  1 1 1       0   -3    3 o    24.05000      0.3230000       23.85000 0.4532000       24.25000      0.4605000     -0.3973000      0.6461000
  1 1 1       0   -3    4 o    4.222000      0.1440000       4.159000 0.2090000       4.285000      0.1981000     -0.1261000      0.2880000
  1 1 1       0   -3    5 o    14.35000      0.1990000       14.36000 0.2817000       14.34000      0.2810000      0.2870000E-01  0.3979000
  1 1 1       0   -3    6 o    20.18000      0.2747000       20.38000 0.3922000       19.97000      0.3847000      0.4071000      0.5493000
  1 1 1       0   -3    7 o    9.509000      0.1450000       9.305000 0.2015000       9.713000      0.2087000     -0.4074000      0.2901000
  1 1 1       0   -3    8 o    1.240000      0.2839000       1.204000 0.3971000       1.277000      0.4058000     -0.7332000E-01  0.5678000
  1 1 1       0   -3    9 o    6.114000      0.1284000       6.087000 0.1811000       6.141000      0.1822000     -0.5414000E-01  0.2569000
  1 1 1       0   -3   10 o    24.08000      0.3283000       23.90000 0.4609000       24.26000      0.4677000     -0.3592000      0.6567000
  1 1 1       0   -3   11 f    7.670000      0.1448000       7.670000 0.2047000       7.670000      0.2048000     -0.4530000E-03  0.2896000
  1 1 1       0   -3   12 o    11.11000      0.1753000       11.10000 0.2464000       11.11000      0.2495000     -0.9871000E-02  0.3506000
  1 1 1       0   -3   13 o    11.32000      0.1799000       11.27000 0.2550000       11.36000      0.2539000     -0.9218000E-01  0.3599000
  1 1 1       0   -3   14 o    10.87000      0.2201000       10.45000 0.2475000       11.30000      0.3641000     -0.8525000      0.4403000
  1 1 1       0   -3   15 o    15.58000      0.3242000       15.73000 0.4623000       15.44000      0.4546000      0.2949000      0.6484000
  1 1 1       0   -3   16 o    9.632000      0.2502000       9.774000 0.3623000       9.490000      0.3451000      0.2843000      0.5003000
  1 1 1       0   -3   17 o    5.222000      0.1969000       5.279000 0.2762000       5.165000      0.2806000      0.1141000      0.3938000
  1 1 1       0   -3   18 o    7.237000      0.2556000       7.779000 0.3432000       6.696000      0.3789000       1.083000      0.5112000
  1 1 1       0   -3   19 o    10.98000      0.2789000       10.82000 0.3803000       11.14000      0.4081000     -0.3223000      0.5578000
  1 1 1       0   -3   20 f    2.948000      0.3581000       3.301000 0.4387000       2.595000      0.5662000      0.7060000      0.7162000
  1 1 1       0   -3   21 o    13.24000      0.2221000       13.41000 0.3166000       13.07000      0.3116000      0.3409000      0.4442000
  1 1 1       0   -3   22 o    1.650000      0.4461000       1.764000 0.6420000       1.536000      0.6194000      0.2273000      0.8921000
  1 1 1       0   -3   23 o    3.209000      0.3921000       2.947000 0.5824000       3.472000      0.5251000     -0.5251000      0.7841000
  1 1 1       0   -3   24 o    4.236000      0.3135000       4.322000 0.4295000       4.151000      0.4568000      0.1703000      0.6270000
  1 1 1       0   -3   25 o    2.291000      0.4419000       2.997000 0.5891000       1.585000      0.6587000       1.412000      0.8837000
  1 1 1       0   -3   26 o    2.143000      0.5017000       1.905000 0.6956000       2.382000      0.7231000     -0.4767000       1.003000
  1 1 1       0   -3   27 o    5.005000      0.2989000       5.171000 0.4030000       4.838000      0.4415000      0.3331000      0.5978000
  1 1 1       0   -3   28 o    2.022000      0.4909000       2.525000 0.7244000       1.520000      0.6626000       1.006000      0.9817000
  1 1 1       0   -3   29 o    2.661000      0.5181000       2.986000 0.6914000       2.335000      0.7717000      0.6507000       1.036000
  1 1 1       0   -3   30 o    3.211000      0.4953000       3.715000 0.6147000       2.707000      0.7769000       1.008000      0.9907000
  1 1 1       0   -3   31 o    3.356000      0.5064000       3.207000 0.7126000       3.506000      0.7198000     -0.2993000       1.013000
  1 1 1       0   -3   32 o    2.788000      0.7063000       2.746000 1.047000       2.829000      0.9488000     -0.8279000E-01   1.413000
  1 1 1       0   -3   33 o    3.152000      0.7163000       3.840000 1.084000       2.463000      0.9365000       1.377000       1.433000
  1 1 1       0   -3   34 o    3.693000      0.5203000       4.539000 0.6120000       2.847000      0.8417000       1.692000       1.041000
  1 1 1       0   -3   35 o    7.004000      0.4815000       7.285000 0.5872000       6.722000      0.7633000      0.5631000      0.9630000
  1 1 1       0   -3   36 f    3.039000      0.7466000       2.798000 1.026000       3.280000       1.085000     -0.4820000       1.493000
  1 1 1       0   -3   37 o    2.147000      0.5687000       2.611000 0.8618000       1.682000      0.7423000      0.9293000       1.137000
  1 1 1       0   -3   38 o    2.564000      0.5785000       2.284000 0.8314000       2.844000      0.8045000     -0.5601000       1.157000
  1 1 1       0   -2    2 o    9.230000      0.1832000       9.147000 0.2581000       9.312000      0.2601000     -0.1657000      0.3664000
  1 1 1       0   -2    3 o    4.421000      0.1064000       4.391000 0.1772000       4.451000      0.1179000     -0.5978000E-01  0.2129000
  1 1 1       0   -2    4 o    1.908000      0.1286000       1.794000 0.1803000       2.021000      0.1833000     -0.2268000      0.2571000
  1 1 1       0   -2    5 f    2.825000      0.1626000       2.657000 0.2388000       2.994000      0.2208000     -0.3379000      0.3252000
  1 1 1       0   -2    6 o    26.49000      0.3571000       26.35000 0.5026000       26.63000      0.5073000     -0.2856000      0.7141000
  1 1 1       0   -2    7 o    18.47000      0.2531000       18.47000 0.3579000       18.47000      0.3581000      0.1680000E-02  0.5063000
  1 1 1       0   -2    8 o    31.90000      0.4292000       31.78000 0.6048000       32.01000      0.6091000     -0.2244000      0.8584000
  1 1 1       0   -2    9 o    4.394000      0.1310000       4.346000 0.1840000       4.442000      0.1865000     -0.9610000E-01  0.2620000
  1 1 1       0   -2   10 o    1.766000      0.2795000       1.798000 0.3748000       1.733000      0.4146000      0.6510000E-01  0.5590000
  1 1 1       0   -2   11 o    9.364000      0.1538000       9.297000 0.2155000       9.431000      0.2194000     -0.1342000      0.3076000
  1 1 1       0   -2   12 o    12.14000      0.1848000       12.14000 0.2606000       12.15000      0.2621000     -0.9297000E-02  0.3696000
  1 1 1       0   -2   13 o    9.322000      0.1623000       9.207000 0.2287000       9.438000      0.2304000     -0.2317000      0.3246000
  1 1 1       0   -2   14 o    18.35000      0.2607000       18.43000 0.3702000       18.28000      0.3672000      0.1503000      0.5214000
  1 1 1       0   -2   15 o    5.188000      0.2546000       5.561000 0.3632000       4.815000      0.3569000      0.7465000      0.5092000
  1 1 1       0   -2   16 o    3.440000      0.3566000       3.473000 0.5122000       3.408000      0.4962000      0.6456000E-01  0.7132000
  1 1 1       0   -2   17 o    3.546000      0.2447000       3.498000 0.3570000       3.594000      0.3348000     -0.9596000E-01  0.4894000
  1 1 1       0   -2   19 o    3.849000      0.3831000       4.012000 0.4957000       3.687000      0.5841000      0.3247000      0.7661000
  1 1 1       0   -2   20 o    2.868000      0.3701000       2.459000 0.5885000       3.277000      0.4488000     -0.8177000      0.7401000
  1 1 1       0   -2   21 o    10.21000      0.2010000       10.70000 0.2888000       9.724000      0.2795000      0.9764000      0.4019000
  1 1 1       0   -2   22 o    1.694000      0.4480000       1.603000 0.6296000       1.786000      0.6375000     -0.1830000      0.8960000
  1 1 1       0   -2   23 o    17.56000      0.2672000       17.79000 0.3803000       17.34000      0.3756000      0.4551000      0.5345000
  1 1 1       0   -2   24 o    10.12000      0.2135000       10.32000 0.3015000       9.927000      0.3022000      0.3885000      0.4269000
  1 1 1       0   -2   25 o    4.949000      0.2797000       5.110000 0.3819000       4.788000      0.4089000      0.3219000      0.5595000
  1 1 1       0   -2   26 o    1.643000      0.4716000       1.793000 0.6913000       1.492000      0.6416000      0.3012000      0.9432000
  1 1 1       0   -2   27 o    13.82000      0.2400000       13.92000 0.3386000       13.72000      0.3402000      0.1977000      0.4799000
  1 1 1       0   -2   28 o    1.676000      0.4855000       1.602000 0.6705000       1.750000      0.7024000     -0.1480000      0.9710000
  1 1 1       0   -2   29 o    1.711000      0.4964000       1.568000 0.6776000       1.854000      0.7255000     -0.2868000      0.9928000
  1 1 1       0   -2   30 o    1.954000      0.5298000       1.740000 0.7193000       2.167000      0.7780000     -0.4266000       1.060000
  1 1 1       0   -2   31 o    2.352000      0.4790000       1.392000 0.6454000       3.312000      0.7079000      -1.920000      0.9579000
  1 1 1       0   -2   32 o    8.001000      0.3882000       8.021000 0.5959000       7.981000      0.4978000      0.3954000E-01  0.7765000
  1 1 1       0   -2   33 o    1.898000      0.5426000       2.239000 0.8205000       1.556000      0.7104000      0.6832000       1.085000
  1 1 1       0   -2   34 o    1.540000      0.5029000       1.578000 0.7261000       1.501000      0.6960000      0.7713000E-01   1.006000
  1 1 1       0   -2   35 o    5.078000      0.5856000       4.843000 0.8122000       5.314000      0.8438000     -0.4717000       1.171000
  1 1 1       0   -2   36 o    7.085000      0.4055000       7.173000 0.4496000       6.997000      0.6749000      0.1767000      0.8109000
  1 1 1       0   -2   37 o    2.282000      0.5529000       1.768000 0.7693000       2.796000      0.7944000      -1.028000       1.106000
  1 1 1       0   -2   38 o    2.394000      0.5890000       2.523000 0.8366000       2.265000      0.8293000      0.2586000       1.178000
  1 1 1       0   -1    3 o    10.68000      0.1811000       10.46000 0.2927000       10.90000      0.2133000     -0.4478000      0.3622000
  1 1 1       0   -1    4 o    19.50000      0.3730000       19.72000 0.5332000       19.29000      0.5218000      0.4304000      0.7461000
  1 1 1       0   -1    5 o    16.26000      0.2224000       16.38000 0.3169000       16.14000      0.3120000      0.2422000      0.4447000
  1 1 1       0   -1    6 o    20.00000      0.2719000       20.18000 0.3880000       19.81000      0.3810000      0.3737000      0.5438000
  1 1 1       0   -1    7 o    7.398000      0.1219000       7.528000 0.1729000       7.267000      0.1720000      0.2611000      0.2438000
  1 1 1       0   -1    8 o    7.834000      0.1816000       7.769000 0.2540000       7.900000      0.2597000     -0.1307000      0.3633000
  1 1 1       0   -1    9 o    7.098000      0.1278000       7.005000 0.1790000       7.192000      0.1824000     -0.1871000      0.2555000
  1 1 1       0   -1   10 o    18.80000      0.2610000       18.65000 0.3654000       18.95000      0.3728000     -0.3002000      0.5220000
  1 1 1       0   -1   11 o    2.979000      0.1789000       3.153000 0.2390000       2.805000      0.2663000      0.3475000      0.3578000
  1 1 1       0   -1   12 o    4.478000      0.1517000       4.248000 0.2165000       4.708000      0.2127000     -0.4599000      0.3035000
  1 1 1       0   -1   13 o    12.67000      0.1923000       12.79000 0.2733000       12.54000      0.2706000      0.2485000      0.3846000
  1 1 1       0   -1   14 o    24.93000      0.3430000       24.82000 0.4830000       25.03000      0.4870000     -0.2154000      0.6859000
  1 1 1       0   -1   15 o    2.737000      0.3795000       3.083000 0.4740000       2.391000      0.5928000      0.6917000      0.7590000
  1 1 1       0   -1   16 o    5.875000      0.2446000       6.047000 0.3530000       5.703000      0.3385000      0.3438000      0.4891000
  1 1 1       0   -1   17 o    3.655000      0.2321000       3.758000 0.3250000       3.552000      0.3314000      0.2069000      0.4642000
  1 1 1       0   -1   18 o    5.477000      0.2800000       5.560000 0.3814000       5.394000      0.4099000      0.1664000      0.5600000
  1 1 1       0   -1   19 o    6.676000      0.2658000       6.586000 0.3620000       6.767000      0.3894000     -0.1819000      0.5317000
  1 1 1       0   -1   20 o    1.388000      0.4017000       1.570000 0.5960000       1.206000      0.5389000      0.3643000      0.8035000
  1 1 1       0   -1   21 o    1.625000      0.4188000       1.303000 0.5709000       1.948000      0.6130000     -0.6446000      0.8377000
  1 1 1       0   -1   22 o    3.185000      0.3526000       3.506000 0.4565000       2.864000      0.5375000      0.6415000      0.7052000
  1 1 1       0   -1   23 o    17.53000      0.2665000       17.29000 0.3729000       17.77000      0.3807000     -0.4777000      0.5329000
  1 1 1       0   -1   24 o    7.149000      0.2207000       7.351000 0.3040000       6.947000      0.3199000      0.4034000      0.4413000
  1 1 1       0   -1   25 o    10.52000      0.2145000       10.60000 0.3018000       10.44000      0.3049000      0.1674000      0.4290000
  1 1 1       0   -1   26 o    1.311000      0.4178000       1.404000 0.6152000       1.219000      0.5655000      0.1850000      0.8356000
  1 1 1       0   -1   27 o    10.33000      0.2218000       10.45000 0.3130000       10.20000      0.3142000      0.2511000      0.4435000
  1 1 1       0   -1   28 o    6.520000      0.2517000       6.342000 0.3631000       6.699000      0.3487000     -0.3574000      0.5034000
  1 1 1       0   -1   29 o    1.803000      0.5089000       1.648000 0.6991000       1.958000      0.7398000     -0.3107000       1.018000
  1 1 1       0   -1   30 o    2.356000      0.5211000       2.914000 0.7429000       1.797000      0.7309000       1.116000       1.042000
  1 1 1       0   -1   31 o    2.018000      0.5469000       1.830000 0.7505000       2.205000      0.7956000     -0.3748000       1.094000
  1 1 1       0   -1   32 o    8.472000      0.3791000       8.121000 0.5849000       8.823000      0.4824000     -0.7011000      0.7582000
  1 1 1       0   -1   33 o    1.901000      0.5577000       1.943000 0.8077000       1.859000      0.7692000      0.8400000E-01   1.115000
  1 1 1       0   -1   34 o    6.324000      0.3197000       5.753000 0.4845000       6.895000      0.4172000      -1.142000      0.6394000
  1 1 1       0   -1   35 o    2.596000      0.7071000       2.354000 0.9576000       2.838000       1.041000     -0.4839000       1.414000
  1 1 1       0   -1   36 o    2.953000      0.5919000       3.032000 0.8259000       2.874000      0.8482000      0.1581000       1.184000
  1 1 1       0   -1   37 o    1.982000      0.5621000       2.231000 0.8358000       1.733000      0.7518000      0.4986000       1.124000
  1 1 1       0   -1   38 f    2.081000      0.5700000       2.227000 0.8177000       1.936000      0.7944000      0.2911000       1.140000
  1 1 1       0    0    3 o    56.35000      0.9166000       55.57000 1.483000       57.13000       1.077000      -1.566000       1.833000
  1 1 1       0    0    4 o    8.163000      0.1684000                  ?       ?   8.163000      0.1684000                  ?              ?
  1 1 1       0    0    5 f    12.57000      0.1750000       12.77000 0.2509000       12.37000      0.2441000      0.4081000      0.3500000
  1 1 1       0    0    6 o    12.19000      0.1717000       12.18000 0.2426000       12.19000      0.2431000     -0.1529000E-01  0.3435000
  1 1 1       0    0    7 o    16.63000      0.2293000       16.46000 0.3210000       16.80000      0.3275000     -0.3395000      0.4585000
  1 1 1       0    0    8 o    1.756000      0.2090000       1.961000 0.2607000       1.550000      0.3267000      0.4111000      0.4179000
  1 1 1       0    0    9 o    11.02000      0.2325000       11.00000 0.3277000       11.05000      0.3299000     -0.4982000E-01  0.4650000
  1 1 1       0    0   10 o    12.61000      0.1846000       12.85000 0.2651000       12.37000      0.2571000      0.4866000      0.3693000
  1 1 1       0    0   11 o    3.952000      0.2119000       3.911000 0.2946000       3.993000      0.3048000     -0.8273000E-01  0.4239000
  1 1 1       0    0   12 o    11.25000      0.1744000       11.04000 0.2416000       11.46000      0.2514000     -0.4159000      0.3487000
  1 1 1       0    0   13 o    13.25000      0.1984000       13.17000 0.2785000       13.33000      0.2826000     -0.1551000      0.3968000
  1 1 1       0    0   14 o    11.37000      0.2565000       11.37000 0.2565000                  ?              ?              ?              ?
  1 1 1       0    0   15 o    10.55000      0.2489000       10.35000 0.3507000       10.75000      0.3533000     -0.3933000      0.4978000
  1 1 1       0    0   16 o    14.35000      0.3082000                  ?       ?   14.35000      0.3082000                  ?              ?
  1 1 1       0    0   17 o    2.892000      0.2822000       2.857000 0.4071000       2.928000      0.3909000     -0.7193000E-01  0.5644000
  1 1 1       0    0   18 o    5.089000      0.2903000       5.202000 0.4027000       4.976000      0.4182000      0.2253000      0.5806000
  1 1 1       0    0   19 o    2.732000      0.4678000       3.109000 0.5967000       2.354000      0.7206000      0.7551000      0.9356000
  1 1 1       0    0   20 o    10.03000      0.1932000       10.44000 0.2758000       9.624000      0.2706000      0.8156000      0.3864000
  1 1 1       0    0   21 o    5.205000      0.2275000       5.100000 0.3313000       5.309000      0.3118000     -0.2087000      0.4549000
  1 1 1       0    0   22 o    7.412000      0.2008000       7.356000 0.2838000       7.468000      0.2841000     -0.1120000      0.4016000
  1 1 1       0    0   23 o    9.053000      0.2014000       9.030000 0.2846000       9.076000      0.2850000     -0.4607000E-01  0.4028000
  1 1 1       0    0   24 o    2.661000      0.4373000       2.538000 0.6426000       2.784000      0.5934000     -0.2457000      0.8747000
  1 1 1       0    0   25 o    1.954000      0.4761000       1.993000 0.6779000       1.915000      0.6686000      0.7861000E-01  0.9521000
  1 1 1       0    0   26 o    7.113000      0.2220000       6.911000 0.3107000       7.315000      0.3172000     -0.4045000      0.4440000
  1 1 1       0    0   27 o    3.279000      0.4148000       2.385000 0.6928000       4.172000      0.4565000      -1.788000      0.8297000
  1 1 1       0    0   28 o    3.945000      0.3714000       4.551000 0.4409000       3.339000      0.5977000       1.212000      0.7428000
  1 1 1       0    0   29 o    12.79000      0.2417000       12.98000 0.3406000       12.60000      0.3430000      0.3825000      0.4834000
  1 1 1       0    0   30 o    5.862000      0.2907000       5.696000 0.4066000       6.028000      0.4155000     -0.3318000      0.5813000
  1 1 1       0    0   31 o    1.820000      0.5352000       1.827000 0.7435000       1.813000      0.7700000      0.1388000E-01   1.070000
  1 1 1       0    0   32 o    9.274000      0.3616000       8.988000 0.5533000       9.561000      0.4659000     -0.5730000      0.7233000
  1 1 1       0    0   33 o    2.014000      0.5648000       2.044000 0.8140000       1.983000      0.7831000      0.6175000E-01   1.130000
  1 1 1       0    0   34 o    9.622000      0.2667000       9.277000 0.3838000       9.967000      0.3703000     -0.6901000      0.5334000
  1 1 1       0    0   35 o    2.720000      0.7035000       2.088000 0.9052000       3.352000       1.077000      -1.264000       1.407000
  1 1 1       0    0   36 o    3.051000      0.5626000       3.171000 0.8009000       2.931000      0.7905000      0.2401000       1.125000
  1 1 1       0    0   37 o    5.144000      0.3933000       4.621000 0.6168000       5.667000      0.4883000      -1.046000      0.7867000
  1 1 1       0    0   38 o    2.270000      0.5545000       1.708000 0.7479000       2.832000      0.8188000      -1.125000       1.109000
  1 1 1       0    1    3 o    7.499000      0.1557000       7.707000 0.2260000       7.290000      0.2141000      0.4171000      0.3113000
  1 1 1       0    1    4 o    5.483000      0.1118000       5.632000 0.1310000       5.334000      0.1813000      0.2987000      0.2237000
  1 1 1       0    1    5 o    3.052000      0.1292000       2.983000 0.1782000       3.121000      0.1872000     -0.1381000      0.2584000
  1 1 1       0    1    6 o    17.65000      0.2416000       17.85000 0.3451000       17.46000      0.3382000      0.3811000      0.4831000
  1 1 1       0    1    7 o    14.19000      0.1984000       14.09000 0.2787000       14.28000      0.2824000     -0.1958000      0.3968000
  1 1 1       0    1    8 o    20.97000      0.2862000       20.69000 0.3996000       21.25000      0.4099000     -0.5644000      0.5724000
  1 1 1       0    1    9 o    9.784000      0.1510000       9.956000 0.2156000       9.612000      0.2116000      0.3437000      0.3021000
  1 1 1       0    1   10 o    18.36000      0.2554000       18.25000 0.3590000       18.48000      0.3632000     -0.2361000      0.5107000
  1 1 1       0    1   11 o    1.846000      0.2598000       1.574000 0.4036000       2.118000      0.3272000     -0.5439000      0.5196000
  1 1 1       0    1   12 o    4.149000      0.1535000       4.153000 0.2145000       4.146000      0.2196000      0.7424000E-02  0.3070000
  1 1 1       0    1   13 o    8.870000      0.1577000       9.040000 0.2219000       8.701000      0.2240000      0.3381000      0.3153000
  1 1 1       0    1   14 o    3.460000      0.2779000       3.460000 0.2779000                  ?              ?              ?              ?
  1 1 1       0    1   15 o    6.486000      0.2219000       6.495000 0.3158000       6.478000      0.3119000      0.1677000E-01  0.4439000
  1 1 1       0    1   16 o    2.506000      0.4544000                  ?       ?   2.506000      0.4544000                  ?              ?
  1 1 1       0    1   17 o    6.084000      0.1782000       6.175000 0.2536000       5.993000      0.2503000      0.1813000      0.3563000
  1 1 1       0    1   18 o    7.716000      0.2522000       7.660000 0.3443000       7.772000      0.3687000     -0.1116000      0.5045000
  1 1 1       0    1   19 o    5.606000      0.1939000       5.565000 0.2771000       5.648000      0.2712000     -0.8254000E-01  0.3878000
  1 1 1       0    1   20 o    2.669000      0.3544000       2.535000 0.5229000       2.804000      0.4784000     -0.2695000      0.7087000
  1 1 1       0    1   21 o    2.015000      0.4315000       1.963000 0.6255000       2.066000      0.5945000     -0.1031000      0.8630000
  1 1 1       0    1   22 o    9.656000      0.1977000       9.756000 0.2805000       9.556000      0.2787000      0.2005000      0.3954000
  1 1 1       0    1   23 o    2.341000      0.4390000       2.214000 0.6454000       2.467000      0.5954000     -0.2528000      0.8781000
  1 1 1       0    1   24 o    12.06000      0.2186000       11.86000 0.3098000       12.26000      0.3084000     -0.4009000      0.4371000
  1 1 1       0    1   25 o    11.41000      0.2174000       11.51000 0.3074000       11.31000      0.3076000      0.2016000      0.4348000
  1 1 1       0    1   26 o    4.665000      0.2870000       4.456000 0.4305000       4.874000      0.3796000     -0.4176000      0.5739000
  1 1 1       0    1   27 o    1.633000      0.4658000       1.532000 0.6384000       1.734000      0.6784000     -0.2021000      0.9315000
  1 1 1       0    1   28 o    1.838000      0.4306000       1.129000 0.5414000       2.546000      0.6698000      -1.417000      0.8612000
  1 1 1       0    1   29 o    6.645000      0.2580000       6.738000 0.3574000       6.552000      0.3722000      0.1860000      0.5160000
  1 1 1       0    1   30 o    1.348000      0.4359000       1.324000 0.6121000       1.371000      0.6208000     -0.4752000E-01  0.8718000
  1 1 1       0    1   31 o    1.812000      0.5483000       2.222000 0.8700000       1.402000      0.6676000      0.8194000       1.097000
  1 1 1       0    1   32 o    8.281000      0.3554000       8.103000 0.5524000       8.459000      0.4473000     -0.3559000      0.7108000
  1 1 1       0    1   33 o    2.637000      0.5702000       2.430000 0.8279000       2.844000      0.7841000     -0.4136000       1.140000
  1 1 1       0    1   34 o    3.367000      0.7173000       3.367000 0.9451000       3.368000       1.079000     -0.9544000E-03   1.435000
  1 1 1       0    1   35 o    5.771000      0.5337000       5.069000 0.8088000       6.473000      0.6965000      -1.404000       1.067000
  1 1 1       0    1   36 o    5.859000      0.3358000       6.033000 0.4655000       5.686000      0.4840000      0.3463000      0.6715000
  1 1 1       0    1   37 o    5.226000      0.3711000       4.932000 0.5758000       5.520000      0.4684000     -0.5882000      0.7423000
  1 1 1       0    1   38 o    3.119000      0.5620000       2.848000 0.8461000       3.389000      0.7399000     -0.5415000       1.124000
  1 1 1       0    2    2 o    19.46000      0.3220000       19.69000 0.5298000       19.23000      0.3661000      0.4569000      0.6440000
  1 1 1       0    2    3 f    19.74000      0.2666000       19.67000 0.3757000       19.81000      0.3784000     -0.1398000      0.5332000
  1 1 1       0    2    4 f    5.822000      0.1398000       5.892000 0.1991000       5.753000      0.1964000      0.1390000      0.2797000
  1 1 1       0    2    5 o    19.81000      0.2702000       19.88000 0.3835000       19.74000      0.3808000      0.1334000      0.5405000
  1 1 1       0    2    6 o    18.69000      0.2563000       18.70000 0.3633000       18.67000      0.3616000      0.3740000E-01  0.5126000
  1 1 1       0    2    7 o    17.43000      0.2973000       17.84000 0.4917000       17.01000      0.3345000      0.8350000      0.5947000
  1 1 1       0    2    8 o    5.074000      0.1433000       5.319000 0.1641000       4.829000      0.2350000      0.4910000      0.2867000
  1 1 1       0    2    9 o    6.577000      0.1800000       6.450000 0.2484000       6.703000      0.2607000     -0.2527000      0.3601000
  1 1 1       0    2   10 o    17.94000      0.2501000       17.74000 0.3502000       18.13000      0.3572000     -0.3896000      0.5003000
  1 1 1       0    2   11 o    2.156000      0.2396000       2.124000 0.3322000       2.188000      0.3454000     -0.6472000E-01  0.4792000
  1 1 1       0    2   12 o    7.924000      0.1470000       7.894000 0.2070000       7.953000      0.2087000     -0.5878000E-01  0.2940000
  1 1 1       0    2   13 o    14.12000      0.2090000       13.89000 0.2912000       14.34000      0.2998000     -0.4519000      0.4179000
  1 1 1       0    2   14 o    16.66000      0.3385000       16.65000 0.4786000       16.67000      0.4787000     -0.1801000E-01  0.6769000
  1 1 1       0    2   15 o    11.28000      0.1849000       11.10000 0.2589000       11.45000      0.2641000     -0.3505000      0.3698000
  1 1 1       0    2   16 o    10.57000      0.1818000       10.48000 0.2558000       10.66000      0.2585000     -0.1772000      0.3636000
  1 1 1       0    2   17 o    22.02000      0.4395000       22.10000 0.6220000       21.94000      0.6211000      0.1521000      0.8790000
  1 1 1       0    2   18 f    12.48000      0.2906000       12.62000 0.4097000       12.34000      0.4123000      0.2845000      0.5813000
  1 1 1       0    2   19 o    4.961000      0.2021000       4.843000 0.2899000       5.078000      0.2816000     -0.2349000      0.4042000
  1 1 1       0    2   20 o    5.510000      0.2031000       5.472000 0.2897000       5.549000      0.2847000     -0.7677000E-01  0.4062000
  1 1 1       0    2   21 o    2.285000      0.3872000       1.830000 0.5978000       2.740000      0.4921000     -0.9094000      0.7743000
  1 1 1       0    2   22 o    1.876000      0.4338000       2.026000 0.6287000       1.726000      0.5978000      0.3002000      0.8676000
  1 1 1       0    2   23 o    2.807000      0.3912000       2.292000 0.6407000       3.322000      0.4492000      -1.030000      0.7824000
  1 1 1       0    2   24 o    13.40000      0.2270000       13.23000 0.3212000       13.56000      0.3208000     -0.3217000      0.4540000
  1 1 1       0    2   25 o    2.203000      0.4344000       2.697000 0.5922000       1.709000      0.6357000      0.9880000      0.8688000
  1 1 1       0    2   26 o    7.644000      0.2182000       7.696000 0.3085000       7.593000      0.3085000      0.1027000      0.4363000
  1 1 1       0    2   27 o    2.782000      0.4474000       2.663000 0.6561000       2.901000      0.6084000     -0.2385000      0.8947000
  1 1 1       0    2   28 o    1.894000      0.4900000       2.027000 0.7003000       1.762000      0.6855000      0.2646000      0.9799000
  1 1 1       0    2   29 o    6.395000      0.2638000       6.121000 0.3900000       6.670000      0.3553000     -0.5490000      0.5276000
  1 1 1       0    2   30 o    9.154000      0.2387000       9.092000 0.3412000       9.217000      0.3339000     -0.1245000      0.4774000
  1 1 1       0    2   31 o    7.648000      0.3492000       7.316000 0.5268000       7.980000      0.4584000     -0.6641000      0.6983000
  1 1 1       0    2   32 o    5.506000      0.3276000       5.533000 0.4887000       5.480000      0.4363000      0.5322000E-01  0.6551000
  1 1 1       0    2   33 o    7.075000      0.2980000       7.005000 0.4365000       7.145000      0.4058000     -0.1407000      0.5960000
  1 1 1       0    2   34 o    6.889000      0.4485000       6.655000 0.6051000       7.123000      0.6623000     -0.4672000      0.8971000
  1 1 1       0    2   35 o    4.281000      0.4251000       4.357000 0.5959000       4.205000      0.6065000      0.1528000      0.8503000
  1 1 1       0    2   36 o    6.808000      0.3008000       7.002000 0.4215000       6.614000      0.4292000      0.3881000      0.6016000
  1 1 1       0    2   37 o    1.952000      0.5520000       1.781000 0.7547000       2.123000      0.8059000     -0.3417000       1.104000
  1 1 1       0    2   38 o    4.114000      0.4433000       4.461000 0.6047000       3.766000      0.6483000      0.6958000      0.8865000
  1 1 1       0    3    0 o    9.344000      0.1817000       9.026000 0.2761000       9.661000      0.2363000     -0.6347000      0.3634000
  1 1 1       0    3    1 o    3.209000      0.1408000       3.458000 0.1783000       2.960000      0.2179000      0.4979000      0.2816000
  1 1 1       0    3    2 o    17.44000      0.2365000       17.59000 0.3372000       17.29000      0.3318000      0.2996000      0.4731000
  1 1 1       0    3    3 o    21.43000      0.2889000       21.35000 0.4070000       21.52000      0.4100000     -0.1715000      0.5777000
  1 1 1       0    3    4 o    7.302000      0.1156000       7.370000 0.1640000       7.233000      0.1630000      0.1371000      0.2312000
  1 1 1       0    3    5 o    31.96000      0.4300000       32.13000 0.6110000       31.80000      0.6052000      0.3250000      0.8600000
  1 1 1       0    3    6 f    21.81000      0.2975000       21.90000 0.4231000       21.72000      0.4183000      0.1828000      0.5950000
  1 1 1       0    3    7 o    4.661000      0.1198000       4.700000 0.1705000       4.622000      0.1684000      0.7791000E-01  0.2396000
  1 1 1       0    3    8 o    12.08000      0.1781000       12.10000 0.2519000       12.06000      0.2517000      0.3980000E-01  0.3561000
  1 1 1       0    3    9 o    20.02000      0.2774000       19.86000 0.3898000       20.18000      0.3947000     -0.3186000      0.5548000
  1 1 1       0    3   10 o    1.452000      0.2986000       1.762000 0.4009000       1.141000      0.4427000      0.6217000      0.5972000
  1 1 1       0    3   11 o    10.57000      0.1685000       10.31000 0.2332000       10.83000      0.2433000     -0.5209000      0.3370000
  1 1 1       0    3   12 o    3.760000      0.1722000       3.806000 0.2291000       3.713000      0.2572000      0.9347000E-01  0.3444000
  1 1 1       0    3   13 o    11.22000      0.2562000       11.20000 0.3545000       11.23000      0.3700000     -0.3070000E-01  0.5124000
  1 1 1       0    3   14 o    9.021000      0.1663000       9.064000 0.2295000       8.978000      0.2408000      0.8640000E-01  0.3326000
  1 1 1       0    3   15 o    12.05000      0.1951000       12.22000 0.2739000       11.89000      0.2779000      0.3308000      0.3902000
  1 1 1       0    3   16 o    9.429000      0.2497000       9.661000 0.3462000       9.197000      0.3599000      0.4645000      0.4994000
  1 1 1       0    3   17 o    6.622000      0.2570000       6.770000 0.3505000       6.474000      0.3758000      0.2966000      0.5139000
  1 1 1       0    3   18 o    7.251000      0.1742000       7.602000 0.2470000       6.899000      0.2458000      0.7027000      0.3485000
  1 1 1       0    3   19 o    6.773000      0.1799000       6.388000 0.2568000       7.157000      0.2521000     -0.7694000      0.3598000
  1 1 1       0    3   20 o    2.456000      0.3662000       2.729000 0.4643000       2.183000      0.5664000      0.5455000      0.7324000
  1 1 1       0    3   21 o    4.958000      0.2183000       5.135000 0.2989000       4.780000      0.3184000      0.3553000      0.4367000
  1 1 1       0    3   22 o    11.38000      0.2063000       11.47000 0.2923000       11.29000      0.2912000      0.1875000      0.4126000
  1 1 1       0    3   23 o    6.960000      0.2026000       7.119000 0.2854000       6.801000      0.2876000      0.3177000      0.4052000
  1 1 1       0    3   24 o    4.341000      0.2753000       3.982000 0.4130000       4.700000      0.3642000     -0.7175000      0.5506000
  1 1 1       0    3   25 o    5.478000      0.2788000       5.618000 0.3415000       5.337000      0.4408000      0.2811000      0.5576000
  1 1 1       0    3   26 o    5.838000      0.2365000       5.995000 0.3308000       5.680000      0.3380000      0.3151000      0.4729000
  1 1 1       0    3   27 o    4.448000      0.3075000       4.109000 0.4605000       4.786000      0.4077000     -0.6770000      0.6150000
  1 1 1       0    3   28 o    10.76000      0.2220000       10.70000 0.3157000       10.82000      0.3123000     -0.1212000      0.4440000
  1 1 1       0    3   29 o    7.887000      0.2380000       7.938000 0.3335000       7.835000      0.3397000      0.1026000      0.4761000
  1 1 1       0    3   30 o    8.535000      0.3202000       8.799000 0.4645000       8.271000      0.4409000      0.5283000      0.6404000
  1 1 1       0    3   31 o    6.373000      0.2791000       6.487000 0.3968000       6.260000      0.3925000      0.2270000      0.5582000
  1 1 1       0    3   32 o    2.490000      0.5424000       2.947000 0.7777000       2.033000      0.7562000      0.9137000       1.085000
  1 1 1       0    3   33 o    5.759000      0.5396000       4.999000 0.8230000       6.519000      0.6981000      -1.520000       1.079000
  1 1 1       0    3   34 o    8.888000      0.2684000       8.988000 0.3894000       8.787000      0.3693000      0.2003000      0.5367000
  1 1 1       0    3   35 o    3.037000      0.5688000       2.966000 0.8174000       3.108000      0.7912000     -0.1422000       1.138000
  1 1 1       0    3   36 o    6.531000      0.3064000       6.673000 0.4387000       6.389000      0.4280000      0.2841000      0.6128000
  1 1 1       0    3   37 o    1.487000      0.4794000       1.310000 0.6316000       1.664000      0.7213000     -0.3541000      0.9587000
  1 1 1       0    3   38 o    1.930000      0.5488000       2.251000 0.8341000       1.609000      0.7134000      0.6413000       1.098000
  1 1 1       0    4    1 o    25.71000      0.4203000       24.74000 0.6666000       26.68000      0.5122000      -1.943000      0.8406000
  1 1 1       0    4    2 o    8.089000      0.1501000       8.363000 0.1810000       7.816000      0.2395000      0.5475000      0.3003000
  1 1 1       0    4    3 o    34.69000      0.4650000       34.99000 0.6620000       34.40000      0.6531000      0.5826000      0.9299000
  1 1 1       0    4    4 o    8.921000      0.1337000       8.946000 0.1896000       8.895000      0.1887000      0.5125000E-01  0.2675000
  1 1 1       0    4    5 o    5.421000      0.1107000       5.476000 0.1576000       5.366000      0.1554000      0.1101000      0.2213000
  1 1 1       0    4    6 f    16.88000      0.2344000       16.98000 0.3326000       16.79000      0.3303000      0.1895000      0.4687000
  1 1 1       0    4    7 o    5.016000      0.1239000       4.856000 0.1775000       5.176000      0.1730000     -0.3197000      0.2479000
  1 1 1       0    4    8 o    22.23000      0.3044000       22.24000 0.4308000       22.22000      0.4301000      0.1883000E-01  0.6088000
  1 1 1       0    4    9 o    1.531000      0.2974000       1.438000 0.4325000       1.624000      0.4085000     -0.1858000      0.5949000
  1 1 1       0    4   10 o    2.242000      0.2526000       2.264000 0.3491000       2.221000      0.3653000      0.4270000E-01  0.5052000
  1 1 1       0    4   11 o    4.130000      0.1687000       4.272000 0.2387000       3.989000      0.2383000      0.2821000      0.3373000
  1 1 1       0    4   12 o    9.685000      0.2328000       9.854000 0.3263000       9.517000      0.3322000      0.3363000      0.4656000
  1 1 1       0    4   13 o    17.48000      0.2512000       17.61000 0.3557000       17.35000      0.3547000      0.2557000      0.5023000
  1 1 1       0    4   14 o    9.993000      0.1741000       9.928000 0.2402000       10.06000      0.2520000     -0.1309000      0.3482000
  1 1 1       0    4   15 o    19.78000      0.5616000       19.78000 0.5616000                  ?              ?              ?              ?
  1 1 1       0    4   16 o    2.286000      0.4373000       2.501000 0.5556000       2.070000      0.6754000      0.4316000      0.8745000
  1 1 1       0    4   17 o    9.911000      0.2207000       9.718000 0.3466000       10.10000      0.2734000     -0.3867000      0.4415000
  1 1 1       0    4   18 o    7.729000      0.2270000       8.058000 0.2535000       7.401000      0.3768000      0.6576000      0.4541000
  1 1 1       0    4   19 o    1.084000      0.3475000       1.195000 0.5147000      0.9723000      0.4670000      0.2226000      0.6949000
  1 1 1       0    4   20 o    5.845000      0.2075000       5.677000 0.2764000       6.014000      0.3096000     -0.3372000      0.4150000
  1 1 1       0    4   21 f    9.798000      0.1981000       9.644000 0.2668000       9.952000      0.2930000     -0.3089000      0.3963000
  1 1 1       0    4   22 o    8.482000      0.2022000       8.132000 0.2790000       8.833000      0.2928000     -0.7010000      0.4044000
  1 1 1       0    4   23 o    12.64000      0.2211000       12.72000 0.3062000       12.57000      0.3190000      0.1568000      0.4422000
  1 1 1       0    4   24 o    5.504000      0.3071000       5.023000 0.3492000       5.985000      0.5053000     -0.9618000      0.6143000
  1 1 1       0    4   25 o    1.938000      0.4510000       1.309000 0.5746000       2.566000      0.6952000      -1.257000      0.9019000
  1 1 1       0    4   26 o    11.08000      0.2228000       11.28000 0.3054000       10.88000      0.3246000      0.4006000      0.4457000
  1 1 1       0    4   27 o    1.910000      0.5000000       1.470000 0.6349000       2.350000      0.7725000     -0.8804000       1.000000
  1 1 1       0    4   28 f    8.726000      0.2435000       8.303000 0.3282000       9.148000      0.3599000     -0.8459000      0.4871000
  1 1 1       0    4   29 o    12.47000      0.3581000       12.94000 0.4774000       12.00000      0.5340000      0.9408000      0.7163000
  1 1 1       0    4   30 o    2.450000      0.6428000       2.659000 0.8763000       2.241000      0.9406000      0.4186000       1.286000
  1 1 1       0    4   31 o    7.042000      0.2897000       7.436000 0.3635000       6.649000      0.4512000      0.7871000      0.5794000
  1 1 1       0    4   32 o    2.755000      0.7081000       2.549000 0.9500000       2.960000       1.050000     -0.4109000       1.416000
  1 1 1       0    4   33 o    2.084000      0.6398000       2.356000 0.9601000       1.811000      0.8459000      0.5446000       1.280000
  1 1 1       0    4   34 o    2.309000      0.6132000       1.860000 0.7810000       2.758000      0.9456000     -0.8975000       1.226000
  1 1 1       0    4   35 o    4.064000      0.5056000       3.862000 0.6791000       4.266000      0.7492000     -0.4039000       1.011000
  1 1 1       0    4   36 o    4.627000      0.4513000       5.302000 0.5080000       3.951000      0.7461000       1.351000      0.9026000
  1 1 1       0    4   37 o    1.618000      0.5129000       1.526000 0.6956000       1.709000      0.7539000     -0.1825000       1.026000
  1 1 1       0    4   38 o    3.426000      0.5210000       2.716000 0.8542000       4.137000      0.5967000      -1.421000       1.042000
  1 1 1       0    5    1 o    21.05000      0.3507000       20.61000 0.5614000       21.49000      0.4204000     -0.8760000      0.7014000
  1 1 1       0    5    2 o    11.59000      0.2029000       11.27000 0.3235000       11.91000      0.2451000     -0.6352000      0.4059000
  1 1 1       0    5    3 o    32.15000      0.4322000       32.41000 0.6171000       31.90000      0.6053000      0.5069000      0.8645000
  1 1 1       0    5    4 o    33.01000      0.4427000       33.22000 0.6301000       32.80000      0.6220000      0.4158000      0.8854000
  1 1 1       0    5    5 o    50.96000      0.6812000       50.79000 0.9599000       51.12000      0.9667000     -0.3355000       1.362000
  1 1 1       0    5    6 o    27.24000      0.3688000       27.06000 0.5186000       27.42000      0.5244000     -0.3670000      0.7375000
  1 1 1       0    5    7 o    6.046000      0.1269000       5.943000 0.1793000       6.149000      0.1796000     -0.2052000      0.2538000
  1 1 1       0    5    8 o    7.993000      0.1398000       8.050000 0.1975000       7.935000      0.1980000      0.1148000      0.2797000
  1 1 1       0    5    9 o    12.05000      0.2551000       12.13000 0.3600000       11.97000      0.3615000      0.1619000      0.5102000
  1 1 1       0    5   10 o    34.44000      0.6579000       34.27000 0.9255000       34.61000      0.9353000     -0.3482000       1.316000
  1 1 1       0    5   11 o    5.612000      0.2095000       5.715000 0.2892000       5.510000      0.3032000      0.2048000      0.4190000
  1 1 1       0    5   12 o    6.590000      0.2154000       6.637000 0.2982000       6.543000      0.3111000      0.9392000E-01  0.4309000
  1 1 1       0    5   13 o    1.496000      0.3621000       1.671000 0.5113000       1.320000      0.5129000      0.3508000      0.7242000
  1 1 1       0    5   14 o    1.895000      0.4686000       1.886000 0.6636000       1.905000      0.6617000     -0.1887000E-01  0.9371000
  1 1 1       0    5   15 o    5.798000      0.3979000       5.798000 0.3979000                  ?              ?              ?              ?
  1 1 1       0    5   16 o    5.715000      0.1797000       5.494000 0.2465000       5.936000      0.2616000     -0.4416000      0.3595000
  1 1 1       0    5   17 o    4.039000      0.3418000                  ?       ?   4.039000      0.3418000                  ?              ?
  1 1 1       0    5   18 o    17.75000      0.2619000       18.07000 0.3730000       17.42000      0.3677000      0.6407000      0.5238000
  1 1 1       0    5   19 o    7.869000      0.1876000       7.975000 0.2522000       7.763000      0.2779000      0.2127000      0.3753000
  1 1 1       0    5   20 o    6.932000      0.1953000       7.280000 0.2593000       6.585000      0.2921000      0.6947000      0.3906000
  1 1 1       0    5   21 o    13.10000      0.2206000       12.64000 0.3003000       13.55000      0.3232000     -0.9057000      0.4412000
  1 1 1       0    5   22 o    8.192000      0.2038000       8.319000 0.2822000       8.064000      0.2941000      0.2547000      0.4076000
  1 1 1       0    5   23 o    6.229000      0.2312000       6.600000 0.3005000       5.859000      0.3513000      0.7411000      0.4623000
  1 1 1       0    5   24 o    4.087000      0.3030000       3.782000 0.4366000       4.392000      0.4201000     -0.6097000      0.6059000
  1 1 1       0    5   25 o    2.118000      0.4644000       1.620000 0.6360000       2.616000      0.6768000     -0.9964000      0.9288000
  1 1 1       0    5   26 f    6.462000      0.2484000       6.600000 0.3301000       6.323000      0.3714000      0.2772000      0.4969000
  1 1 1       0    5   27 o    4.967000      0.3041000       5.176000 0.3827000       4.759000      0.4729000      0.4162000      0.6083000
  1 1 1       0    5   28 o    1.981000      0.5900000       2.138000 0.8305000       1.824000      0.8383000      0.3138000       1.180000
  1 1 1       0    5   29 o    7.226000      0.3810000       7.281000 0.4579000       7.171000      0.6090000      0.1101000      0.7619000
  1 1 1       0    5   30 o    11.78000      0.2525000       11.89000 0.3432000       11.67000      0.3705000      0.2191000      0.5050000
  1 1 1       0    5   31 o    8.515000      0.3257000       8.126000 0.5226000       8.904000      0.3887000     -0.7779000      0.6513000
  1 1 1       0    5   32 o    3.146000      0.6852000       3.617000 0.9490000       2.674000      0.9887000      0.9432000       1.370000
  1 1 1       0    5   33 o    4.653000      0.4599000       4.402000 0.6036000       4.905000      0.6940000     -0.5034000      0.9198000
  1 1 1       0    5   34 o    2.002000      0.5855000       1.845000 0.7786000       2.159000      0.8747000     -0.3137000       1.171000
  1 1 1       0    5   35 o    4.375000      0.4812000       4.430000 0.5969000       4.320000      0.7549000      0.1096000      0.9623000
  1 1 1       0    5   36 o    5.591000      0.3780000       6.403000 0.4459000       4.780000      0.6104000       1.623000      0.7560000
  1 1 1       0    5   37 o    3.138000      0.4947000       4.369000 0.5877000       1.908000      0.7960000       2.460000      0.9895000
  1 1 1       0    6    0 o    1.912000      0.4434000       1.716000 0.6280000       2.109000      0.6260000     -0.3935000      0.8867000
  1 1 1       0    6    1 o    9.162000      0.2940000       9.442000 0.5339000       8.881000      0.2466000      0.5602000      0.5881000
  1 1 1       0    6    2 o    6.496000      0.1855000       6.503000 0.2542000       6.490000      0.2703000      0.1297000E-01  0.3710000
  1 1 1       0    6    3 o    22.47000      0.4316000       22.83000 0.6194000       22.12000      0.6012000      0.7159000      0.8632000
  1 1 1       0    6    4 o    8.447000      0.1954000       8.544000 0.2843000       8.351000      0.2680000      0.1930000      0.3907000
  1 1 1       0    6    5 o    7.572000      0.1285000       7.650000 0.1831000       7.495000      0.1802000      0.1557000      0.2570000
  1 1 1       0    6    6 o    29.13000      0.3938000       29.37000 0.5607000       28.90000      0.5531000      0.4715000      0.7876000
  1 1 1       0    6    7 o    25.55000      0.3468000       25.50000 0.4897000       25.60000      0.4911000     -0.1016000      0.6935000
  1 1 1       0    6    8 o    26.46000      0.5080000       26.75000 0.7260000       26.17000      0.7107000      0.5853000       1.016000
  1 1 1       0    6    9 o    23.42000      0.4536000       23.91000 0.6535000       22.94000      0.6292000      0.9663000      0.9072000
  1 1 1       0    6   10 o    11.15000      0.1760000       11.09000 0.2481000       11.20000      0.2495000     -0.1161000      0.3519000
  1 1 1       0    6   11 o    4.368000      0.1736000       4.424000 0.2422000       4.311000      0.2487000      0.1129000      0.3472000
  1 1 1       0    6   13 o    4.483000      0.2794000       4.064000 0.4290000       4.901000      0.3582000     -0.8372000      0.5589000
  1 1 1       0    6   14 o    4.735000      0.1882000       4.714000 0.2651000       4.755000      0.2671000     -0.4029000E-01  0.3763000
  1 1 1       0    6   15 o    5.743000      0.2489000       5.964000 0.3405000       5.522000      0.3631000      0.4420000      0.4978000
  1 1 1       0    6   16 o    1.999000      0.3867000       2.226000 0.5299000       1.773000      0.5632000      0.4538000      0.7733000
  1 1 1       0    6   17 o    2.170000      0.3703000       2.466000 0.4454000       1.874000      0.5916000      0.5916000      0.7406000
  1 1 1       0    6   18 o    8.461000      0.1842000       8.825000 0.2533000       8.097000      0.2675000      0.7281000      0.3684000
  1 1 1       0    6   19 o    3.486000      0.2853000       3.477000 0.3754000       3.496000      0.4297000     -0.1820000E-01  0.5706000
  1 1 1       0    6   20 o    5.375000      0.2167000       4.959000 0.2974000       5.790000      0.3151000     -0.8319000      0.4333000
  1 1 1       0    6   21 o    14.06000      0.2303000       13.89000 0.3169000       14.22000      0.3342000     -0.3276000      0.4606000
  1 1 1       0    6   22 f    1.588000      0.4249000       1.949000 0.6382000       1.227000      0.5611000      0.7223000      0.8498000
  1 1 1       0    6   23 o    5.913000      0.2361000       6.131000 0.3107000       5.694000      0.3557000      0.4372000      0.4723000
  1 1 1       0    6   24 o    4.133000      0.2981000       3.893000 0.4039000       4.373000      0.4385000     -0.4800000      0.5961000
  1 1 1       0    6   25 o    7.353000      0.2238000       7.386000 0.3020000       7.320000      0.3305000      0.6601000E-01  0.4477000
  1 1 1       0    6   26 o    7.301000      0.2400000       7.596000 0.3246000       7.006000      0.3537000      0.5892000      0.4801000
  1 1 1       0    6   27 o    11.35000      0.3301000       11.17000 0.4404000       11.52000      0.4919000     -0.3504000      0.6603000
  1 1 1       0    6   28 o    3.256000      0.6167000       2.747000 0.8229000       3.764000      0.9187000      -1.018000       1.233000
  1 1 1       0    6   29 o    7.109000      0.2674000       6.919000 0.3637000       7.299000      0.3921000     -0.3797000      0.5348000
  1 1 1       0    6   30 o    15.32000      0.2718000       15.48000 0.3754000       15.16000      0.3932000      0.3146000      0.5436000
  1 1 1       0    6   31 o    8.792000      0.3821000       8.301000 0.5453000       9.282000      0.5352000     -0.9805000      0.7641000
  1 1 1       0    6   32 f    2.172000      0.5761000       2.137000 0.7720000       2.207000      0.8555000     -0.6938000E-01   1.152000
  1 1 1       0    6   33 o    7.770000      0.2940000       8.013000 0.3725000       7.528000      0.4550000      0.4850000      0.5881000
  1 1 1       0    6   34 o    2.074000      0.5788000       1.687000 0.7366000       2.462000      0.8929000     -0.7743000       1.158000
  1 1 1       0    6   35 o    1.635000      0.5147000       1.666000 0.7210000       1.604000      0.7347000      0.6173000E-01   1.029000
  1 1 1       0    6   36 o    7.537000      0.3050000       8.247000 0.3929000       6.828000      0.4667000       1.419000      0.6101000
  1 1 1       0    6   37 o    3.223000      0.5549000       2.654000 0.8333000       3.792000      0.7331000      -1.138000       1.110000
  1 1 1       0    7    0 o    12.61000      0.2352000       12.46000 0.3342000       12.76000      0.3309000     -0.3036000      0.4703000
  1 1 1       0    7    1 f    19.62000      0.3415000       20.28000 0.4250000       18.95000      0.5348000       1.327000      0.6831000
  1 1 1       0    7    2 o    15.22000      0.2296000       15.22000 0.3286000       15.21000      0.3207000      0.8170000E-02  0.4592000
  1 1 1       0    7    3 o    6.110000      0.1482000       6.085000 0.2140000       6.135000      0.2051000     -0.5078000E-01  0.2965000
  1 1 1       0    7    4 o    21.83000      0.2984000       21.90000 0.4240000       21.77000      0.4200000      0.1376000      0.5968000
  1 1 1       0    7    5 o    29.62000      0.5652000       29.32000 0.7919000       29.93000      0.8066000     -0.6090000       1.130000
  1 1 1       0    7    6 o    14.13000      0.2841000       14.32000 0.4070000       13.94000      0.3965000      0.3784000      0.5682000
  1 1 1       0    7    8 o    7.289000      0.1392000       7.310000 0.1977000       7.269000      0.1960000      0.4136000E-01  0.2784000
  1 1 1       0    7    9 o    5.659000      0.2000000       5.509000 0.2759000       5.810000      0.2896000     -0.3015000      0.4000000
  1 1 1       0    7   10 o    9.736000      0.2371000       9.766000 0.3390000       9.707000      0.3317000      0.5881000E-01  0.4743000
  1 1 1       0    7   11 o    6.625000      0.2274000       6.321000 0.3352000       6.929000      0.3073000     -0.6074000      0.4547000
  1 1 1       0    7   12 o    10.80000      0.1799000       10.67000 0.2541000       10.93000      0.2547000     -0.2625000      0.3598000
  1 1 1       0    7   13 o    14.16000      0.2588000       13.89000 0.4161000       14.43000      0.3078000     -0.5364000      0.5176000
  1 1 1       0    7   14 o    15.73000      0.2345000       15.77000 0.3324000       15.68000      0.3307000      0.8873000E-01  0.4689000
  1 1 1       0    7   15 o    6.336000      0.1801000       6.589000 0.2485000       6.082000      0.2608000      0.5075000      0.3602000
  1 1 1       0    7   16 o    1.929000      0.4044000       1.471000 0.6464000       2.388000      0.4860000     -0.9163000      0.8087000
  1 1 1       0    7   17 o    4.865000      0.2198000       4.753000 0.3212000       4.977000      0.3002000     -0.2240000      0.4396000
  1 1 1       0    7   18 o    6.767000      0.2026000       7.041000 0.2805000       6.492000      0.2923000      0.5492000      0.4051000
  1 1 1       0    7   19 o    1.813000      0.4067000       1.265000 0.5560000       2.361000      0.5936000      -1.096000      0.8134000
  1 1 1       0    7   20 o    4.017000      0.2879000       4.374000 0.3667000       3.661000      0.4439000      0.7136000      0.5758000
  1 1 1       0    7   21 o    5.921000      0.2188000       5.786000 0.2988000       6.056000      0.3198000     -0.2705000      0.4377000
  1 1 1       0    7   22 o    2.203000      0.4598000       2.068000 0.6252000       2.339000      0.6744000     -0.2711000      0.9196000
  1 1 1       0    7   23 o    6.435000      0.2239000       6.245000 0.3030000       6.625000      0.3298000     -0.3805000      0.4478000
  1 1 1       0    7   24 f    14.78000      0.2441000       14.58000 0.3369000       14.99000      0.3534000     -0.4071000      0.4883000
  1 1 1       0    7   25 o    6.555000      0.2418000       6.621000 0.3278000       6.488000      0.3556000      0.1333000      0.4836000
  1 1 1       0    7   26 o    14.21000      0.3446000       15.04000 0.4850000       13.39000      0.4897000       1.650000      0.6892000
  1 1 1       0    7   27 o    3.282000      0.5973000       3.191000 0.7801000       3.372000      0.9047000     -0.1814000       1.195000
  1 1 1       0    7   28 o    7.144000      0.2608000       6.769000 0.3585000       7.520000      0.3789000     -0.7511000      0.5216000
  1 1 1       0    7   29 o    7.904000      0.2529000       7.872000 0.3298000       7.935000      0.3835000     -0.6317000E-01  0.5058000
  1 1 1       0    7   30 o    6.413000      0.4246000       5.976000 0.6181000       6.851000      0.5824000     -0.8757000      0.8493000
  1 1 1       0    7   31 o    5.068000      0.3715000       3.997000 0.5752000       6.140000      0.4704000      -2.143000      0.7431000
  1 1 1       0    7   32 o    3.667000      0.5355000       3.706000 0.6894000       3.628000      0.8196000      0.7823000E-01   1.071000
  1 1 1       0    7   33 o    9.297000      0.2870000       9.953000 0.3588000       8.640000      0.4481000       1.312000      0.5740000
  1 1 1       0    7   34 o    2.329000      0.5615000       2.778000 0.7812000       1.880000      0.8066000      0.8974000       1.123000
  1 1 1       0    7   35 o    6.624000      0.3132000       6.485000 0.4062000       6.763000      0.4768000     -0.2787000      0.6264000
  1 1 1       0    7   36 o    3.002000      0.5918000       3.091000 0.8250000       2.912000      0.8486000      0.1790000       1.184000
  1 1 1       0    7   37 o    3.127000      0.5750000       2.708000 0.8518000       3.546000      0.7725000     -0.8380000       1.150000
  1 1 1       0    8    0 o    14.34000      0.4305000       15.04000 0.7448000       13.65000      0.4321000       1.388000      0.8610000
  1 1 1       0    8    1 f    18.80000      0.4447000       19.13000 0.7088000       18.47000      0.5372000      0.6620000      0.8894000
  1 1 1       0    8    2 o    28.71000      0.5760000       29.81000 0.8665000       27.61000      0.7591000       2.195000       1.152000
  1 1 1       0    8    3 o    47.18000      0.8990000       49.13000 1.326000       45.22000       1.214000       3.918000       1.798000
  1 1 1       0    8    4 o    16.73000      0.2370000       16.77000 0.3373000       16.70000      0.3329000      0.6970000E-01  0.4739000
  1 1 1       0    8    5 o    26.07000      0.3541000       26.24000 0.5046000       25.91000      0.4970000      0.3360000      0.7083000
  1 1 1       0    8    6 o    9.969000      0.2197000       9.908000 0.3111000       10.03000      0.3102000     -0.1219000      0.4393000
  1 1 1       0    8    7 o    32.18000      0.4337000       32.15000 0.6129000       32.20000      0.6139000     -0.4843000E-01  0.8675000
  1 1 1       0    8    8 o    5.165000      0.2055000       5.241000 0.2936000       5.089000      0.2876000      0.1517000      0.4110000
  1 1 1       0    8    9 o    25.56000      0.4947000       25.06000 0.6873000       26.06000      0.7117000     -0.9969000      0.9894000
  1 1 1       0    8   10 o    7.243000      0.2093000       7.268000 0.2874000       7.217000      0.3044000      0.5109000E-01  0.4186000
  1 1 1       0    8   11 o    11.70000      0.1854000       11.71000 0.2630000       11.69000      0.2612000      0.1120000E-01  0.3707000
  1 1 1       0    8   12 o    15.43000      0.2276000       15.60000 0.3253000       15.27000      0.3185000      0.3309000      0.4552000
  1 1 1       0    8   13 o    5.008000      0.2157000       4.597000 0.2643000       5.420000      0.3409000     -0.8228000      0.4313000
  1 1 1       0    8   14 o    3.969000      0.2216000       3.834000 0.3292000       4.105000      0.2968000     -0.2709000      0.4432000
  1 1 1       0    8   15 o    2.399000      0.3418000       2.686000 0.4290000       2.112000      0.5323000      0.5748000      0.6836000
  1 1 1       0    8   16 o    4.575000      0.2583000       4.247000 0.4198000       4.904000      0.3012000     -0.6575000      0.5167000
  1 1 1       0    8   17 o    5.851000      0.1988000       5.798000 0.2821000       5.904000      0.2802000     -0.1070000      0.3976000
  1 1 1       0    8   18 o    10.24000      0.1990000       10.33000 0.2844000       10.14000      0.2783000      0.1923000      0.3979000
  1 1 1       0    8   19 o    9.153000      0.1965000       9.317000 0.2818000       8.989000      0.2740000      0.3276000      0.3930000
  1 1 1       0    8   20 o    5.208000      0.2354000       5.803000 0.3119000       4.612000      0.3527000       1.191000      0.4709000
  1 1 1       0    8   21 o    1.455000      0.4172000       1.154000 0.5319000       1.755000      0.6429000     -0.6004000      0.8344000
  1 1 1       0    8   22 o    2.205000      0.4431000       2.745000 0.5971000       1.665000      0.6550000       1.080000      0.8863000
  1 1 1       0    8   23 o    3.240000      0.3957000       3.719000 0.4740000       2.762000      0.6336000      0.9563000      0.7913000
  1 1 1       0    8   24 o    2.084000      0.4836000       1.852000 0.6633000       2.317000      0.7039000     -0.4658000      0.9672000
  1 1 1       0    8   26 o    6.140000      0.3765000       6.938000 0.4432000       5.341000      0.6086000       1.597000      0.7529000
  1 1 1       0    8   27 o    5.431000      0.2874000       5.350000 0.3903000       5.513000      0.4220000     -0.1634000      0.5748000
  1 1 1       0    8   28 o    5.852000      0.4343000       4.854000 0.6717000       6.851000      0.5508000      -1.997000      0.8687000
  1 1 1       0    8   29 o    2.161000      0.6205000       2.111000 0.8555000       2.212000      0.8989000     -0.1004000       1.241000
  1 1 1       0    8   30 o    1.861000      0.5226000       2.066000 0.7397000       1.656000      0.7384000      0.4107000       1.045000
  1 1 1       0    8   31 o    2.748000      0.5713000       2.372000 0.7665000       3.125000      0.8473000     -0.7525000       1.143000
  1 1 1       0    8   32 o    2.719000      0.5991000       2.466000 0.8167000       2.972000      0.8769000     -0.5057000       1.198000
  1 1 1       0    8   33 o    3.668000      0.5169000       4.271000 0.5664000       3.065000      0.8649000       1.206000       1.034000
  1 1 1       0    8   34 o    8.239000      0.3016000       8.562000 0.3822000       7.917000      0.4667000      0.6452000      0.6033000
  1 1 1       0    8   35 o    4.608000      0.4719000       5.278000 0.5043000       3.938000      0.7978000       1.340000      0.9438000
  1 1 1       0    8   36 o    4.375000      0.4328000       4.331000 0.5845000       4.420000      0.6385000     -0.8870000E-01  0.8657000
  1 1 1       0    8   37 o    2.583000      0.5986000       2.734000 0.8399000       2.433000      0.8532000      0.3011000       1.197000
  1 1 1       0    9    0 o    14.56000      0.2808000       14.32000 0.4014000       14.81000      0.3928000     -0.4889000      0.5616000
  1 1 1       0    9    1 o    70.16000       1.175000       71.55000 1.953000       68.77000       1.308000       2.776000       2.351000
  1 1 1       0    9    2 o    9.020000      0.2223000       8.742000 0.3077000       9.298000      0.3209000     -0.5565000      0.4445000
  1 1 1       0    9    3 o    33.95000      0.6507000                  ?       ?   33.95000      0.6507000                  ?              ?
  1 1 1       0    9    4 o    9.579000      0.2282000       9.065000 0.3055000       10.09000      0.3391000      -1.029000      0.4564000
  1 1 1       0    9    5 o    37.44000      0.7118000       37.47000 1.007000       37.42000       1.006000      0.5340000E-01   1.424000
  1 1 1       0    9    7 o    9.679000      0.1576000       9.708000 0.2234000       9.650000      0.2225000      0.5803000E-01  0.3153000
  1 1 1       0    9    8 o    31.61000      0.4275000       31.75000 0.6077000       31.47000      0.6013000      0.2783000      0.8549000
  1 1 1       0    9    9 o    16.21000      0.2311000       16.44000 0.3315000       15.97000      0.3222000      0.4735000      0.4623000
  1 1 1       0    9   10 o    4.254000      0.1755000       4.184000 0.2559000       4.324000      0.2401000     -0.1395000      0.3509000
  1 1 1       0    9   11 o    4.112000      0.1842000       4.401000 0.2480000       3.823000      0.2724000      0.5784000      0.3684000
  1 1 1       0    9   12 o    5.430000      0.1707000       5.703000 0.2378000       5.156000      0.2450000      0.5471000      0.3414000
  1 1 1       0    9   13 o    4.012000      0.2035000       3.727000 0.2998000       4.296000      0.2753000     -0.5697000      0.4070000
  1 1 1       0    9   14 o    6.248000      0.1753000       6.085000 0.2456000       6.411000      0.2501000     -0.3259000      0.3505000
  1 1 1       0    9   15 o    1.896000      0.3905000       1.739000 0.5639000       2.052000      0.5404000     -0.3132000      0.7811000
  1 1 1       0    9   16 o    2.735000      0.4696000       2.735000 0.4696000                  ?              ?              ?              ?
  1 1 1       0    9   17 o    7.033000      0.2550000       7.209000 0.3365000       6.857000      0.3833000      0.3522000      0.5101000
  1 1 1       0    9   18 o    16.18000      0.3484000                  ?       ?   16.18000      0.3484000                  ?              ?
  1 1 1       0    9   19 o    4.403000      0.2609000       4.403000 0.3650000       4.404000      0.3730000     -0.4330000E-03  0.5218000
  1 1 1       0    9   20 o    4.518000      0.2649000       4.192000 0.3918000       4.844000      0.3567000     -0.6516000      0.5299000
  1 1 1       0    9   21 o    2.484000      0.4397000       2.391000 0.6320000       2.578000      0.6114000     -0.1864000      0.8793000
  1 1 1       0    9   22 o    1.877000      0.4516000       1.548000 0.6257000       2.207000      0.6513000     -0.6594000      0.9032000
  1 1 1       0    9   23 o    11.11000      0.2247000       11.04000 0.3166000       11.19000      0.3190000     -0.1470000      0.4494000
  1 1 1       0    9   24 o    2.920000      0.5422000       3.265000 0.6996000       2.576000      0.8285000      0.6890000       1.084000
  1 1 1       0    9   25 o    3.935000      0.3354000       3.956000 0.4439000       3.913000      0.5028000      0.4348000E-01  0.6707000
  1 1 1       0    9   26 o    4.258000      0.3403000       4.621000 0.4066000       3.896000      0.5457000      0.7246000      0.6806000
  1 1 1       0    9   27 o    2.896000      0.6175000       2.396000 0.8813000       3.396000      0.8651000      -1.000000       1.235000
  1 1 1       0    9   28 o    6.826000      0.3649000       6.592000 0.5192000       7.060000      0.5129000     -0.4671000      0.7298000
  1 1 1       0    9   29 f    6.049000      0.2935000       5.986000 0.3774000       6.111000      0.4495000     -0.1246000      0.5869000
  1 1 1       0    9   30 o    1.696000      0.5101000       1.875000 0.7416000       1.517000      0.7007000      0.3582000       1.020000
  1 1 1       0    9   31 o    4.679000      0.3952000       4.152000 0.5775000       5.205000      0.5396000      -1.053000      0.7903000
  1 1 1       0    9   32 o    4.661000      0.4245000       4.902000 0.5058000       4.420000      0.6818000      0.4826000      0.8489000
  1 1 1       0    9   33 o    2.686000      0.6171000       2.549000 0.8210000       2.823000      0.9216000     -0.2734000       1.234000
  1 1 1       0    9   34 o    2.110000      0.5769000       2.330000 0.8058000       1.890000      0.8257000      0.4405000       1.154000
  1 1 1       0    9   35 o    5.625000      0.3719000       5.907000 0.4801000       5.343000      0.5681000      0.5639000      0.7438000
  1 1 1       0    9   36 o    2.284000      0.5984000       2.528000 0.8655000       2.041000      0.8267000      0.4873000       1.197000
  1 1 1       0   10    1 o    10.64000      0.4334000       10.41000 0.4175000       10.86000      0.7596000     -0.4559000      0.8668000
  1 1 1       0   10    2 o    32.83000      0.6365000       31.69000 0.8607000       33.97000      0.9380000      -2.282000       1.273000
  1 1 1       0   10    3 o    31.56000      0.5189000       30.16000 0.8186000       32.97000      0.6379000      -2.813000       1.038000
  1 1 1       0   10    4 o    16.30000      0.2444000       16.76000 0.3602000       15.83000      0.3305000      0.9306000      0.4888000
  1 1 1       0   10    5 o    12.47000      0.1974000       12.31000 0.2830000       12.63000      0.2752000     -0.3130000      0.3947000
  1 1 1       0   10    6 o    3.736000      0.1869000       3.664000 0.2720000       3.808000      0.2564000     -0.1436000      0.3738000
  1 1 1       0   10    7 o    10.03000      0.1669000       10.21000 0.2408000       9.846000      0.2312000      0.3603000      0.3338000
  1 1 1       0   10    8 o    3.038000      0.2084000       3.005000 0.2963000       3.071000      0.2932000     -0.6576000E-01  0.4168000
  1 1 1       0   10    9 o    12.63000      0.1913000       12.59000 0.2712000       12.67000      0.2698000     -0.7762000E-01  0.3826000
  1 1 1       0   10   10 o    7.070000      0.1510000       7.122000 0.2153000       7.019000      0.2119000      0.1028000      0.3021000
  1 1 1       0   10   11 o    8.788000      0.1632000       8.846000 0.2318000       8.730000      0.2296000      0.1159000      0.3263000
  1 1 1       0   10   12 o    11.31000      0.2243000       11.66000 0.3686000       10.96000      0.2557000      0.6974000      0.4486000
  1 1 1       0   10   13 o    1.778000      0.3705000       2.082000 0.5116000       1.475000      0.5360000      0.6076000      0.7409000
  1 1 1       0   10   14 o    5.789000      0.1786000       5.912000 0.2480000       5.665000      0.2572000      0.2466000      0.3573000
  1 1 1       0   10   15 f    6.146000      0.1802000       6.022000 0.2506000       6.270000      0.2589000     -0.2480000      0.3603000
  1 1 1       0   10   16 o    2.075000      0.5736000       2.075000 0.5736000                  ?              ?              ?              ?
  1 1 1       0   10   17 o    3.872000      0.2655000       3.805000 0.3814000       3.938000      0.3694000     -0.1322000      0.5309000
  1 1 1       0   10   18 o    6.001000      0.2838000                  ?       ?   6.001000      0.2838000                  ?              ?
  1 1 1       0   10   19 o    2.293000      0.4364000       2.018000 0.6393000       2.567000      0.5941000     -0.5493000      0.8728000
  1 1 1       0   10   20 o    12.11000      0.2170000       12.21000 0.3100000       12.01000      0.3037000      0.2010000      0.4340000
  1 1 1       0   10   21 o    1.262000      0.4020000       1.155000 0.5385000       1.368000      0.5970000     -0.2131000      0.8040000
  1 1 1       0   10   22 o    4.699000      0.3853000       5.322000 0.4348000       4.077000      0.6363000       1.245000      0.7707000
  1 1 1       0   10   23 o    12.86000      0.3170000       13.19000 0.4427000       12.53000      0.4538000      0.6615000      0.6340000
  1 1 1       0   10   24 o    10.59000      0.2584000       10.39000 0.4051000       10.79000      0.3210000     -0.4052000      0.5169000
  1 1 1       0   10   25 o    4.396000      0.3396000       4.059000 0.5195000       4.733000      0.4376000     -0.6738000      0.6792000
  1 1 1       0   10   26 o    9.515000      0.3859000       9.006000 0.6025000       10.02000      0.4825000      -1.017000      0.7719000
  1 1 1       0   10   27 o    4.436000      0.3383000       4.156000 0.4668000       4.716000      0.4899000     -0.5597000      0.6767000
  1 1 1       0   10   28 o    3.929000      0.4141000       4.305000 0.4727000       3.553000      0.6801000      0.7526000      0.8282000
  1 1 1       0   10   29 o    2.518000      0.5519000       2.300000 0.7365000       2.737000      0.8222000     -0.4374000       1.104000
  1 1 1       0   10   30 o    5.386000      0.3503000       5.863000 0.4227000       4.910000      0.5588000      0.9530000      0.7007000
  1 1 1       0   10   31 o    6.041000      0.3262000       6.125000 0.4198000       5.956000      0.4994000      0.1692000      0.6524000
  1 1 1       0   10   32 o    2.717000      0.5909000       2.976000 0.7732000       2.459000      0.8937000      0.5164000       1.182000
  1 1 1       0   10   33 o    2.082000      0.5752000       1.699000 0.7374000       2.464000      0.8831000     -0.7647000       1.150000
  1 1 1       0   10   34 o    8.001000      0.2953000       7.876000 0.4017000       8.126000      0.4329000     -0.2506000      0.5906000
  1 1 1       0   10   35 f    7.318000      0.3147000       7.842000 0.4176000       6.794000      0.4710000       1.048000      0.6295000
  1 1 1       0   10   36 o    2.510000      0.5878000       2.122000 0.8337000       2.897000      0.8289000     -0.7751000       1.176000
  1 1 1       0   11    0 o    10.73000      0.3073000       10.56000 0.4425000       10.90000      0.4266000     -0.3367000      0.6146000
  1 1 1       0   11    1 o    48.63000      0.6704000       48.81000 0.9569000       48.46000      0.9392000      0.3475000       1.341000
  1 1 1       0   11    2 o    26.01000      0.5156000       26.26000 0.8898000       25.76000      0.5211000      0.4998000       1.031000
  1 1 1       0   11    3 o    14.42000      0.2756000       13.89000 0.4234000       14.94000      0.3529000      -1.047000      0.5511000
  1 1 1       0   11    4 o    13.75000      0.2218000       13.44000 0.3175000       14.07000      0.3098000     -0.6325000      0.4436000
  1 1 1       0   11    5 o    37.85000      0.6210000       37.15000 1.000000       38.56000      0.7362000      -1.411000       1.242000
  1 1 1       0   11    6 o    19.97000      0.2805000       19.87000 0.3971000       20.06000      0.3962000     -0.1947000      0.5610000
  1 1 1       0   11    7 o    20.53000      0.2870000       20.99000 0.4152000       20.08000      0.3964000      0.9165000      0.5741000
  1 1 1       0   11    8 o    2.894000      0.2495000       2.874000 0.3667000       2.913000      0.3384000     -0.3935000E-01  0.4990000
  1 1 1       0   11    9 o    5.960000      0.1545000       6.088000 0.2187000       5.832000      0.2182000      0.2560000      0.3089000
  1 1 1       0   11   10 o    1.176000      0.3407000       1.045000 0.4611000       1.307000      0.5016000     -0.2615000      0.6813000
  1 1 1       0   11   11 o    12.19000      0.1914000       12.30000 0.2726000       12.08000      0.2686000      0.2196000      0.3827000
  1 1 1       0   11   12 o    15.93000      0.2340000       15.84000 0.3313000       16.03000      0.3305000     -0.1844000      0.4679000
  1 1 1       0   11   13 o    12.08000      0.1937000       12.03000 0.2746000       12.12000      0.2733000     -0.9129000E-01  0.3874000
  1 1 1       0   11   14 o    3.374000      0.2652000       3.876000 0.3155000       2.872000      0.4265000       1.004000      0.5305000
  1 1 1       0   11   15 o    5.834000      0.1897000       5.508000 0.2740000       6.159000      0.2624000     -0.6504000      0.3793000
  1 1 1       0   11   16 o    1.718000      0.4063000       1.994000 0.5756000       1.442000      0.5735000      0.5521000      0.8126000
  1 1 1       0   11   17 o    6.053000      0.2009000       6.237000 0.2848000       5.868000      0.2835000      0.3686000      0.4018000
  1 1 1       0   11   18 o    2.179000      0.4252000       1.978000 0.6120000       2.380000      0.5904000     -0.4025000      0.8504000
  1 1 1       0   11   19 o    10.27000      0.2073000       10.39000 0.3032000       10.15000      0.2827000      0.2339000      0.4145000
  1 1 1       0   11   20 o    12.17000      0.2945000       12.63000 0.4165000       11.70000      0.4163000      0.9328000      0.5889000
  1 1 1       0   11   22 f    9.572000      0.2465000       9.830000 0.3877000       9.315000      0.3047000      0.5154000      0.4931000
  1 1 1       0   11   23 o    2.484000      0.4724000       2.141000 0.7086000       2.827000      0.6250000     -0.6862000      0.9448000
  1 1 1       0   11   24 o    13.06000      0.3593000       12.99000 0.5361000       13.14000      0.4785000     -0.1438000      0.7185000
  1 1 1       0   11   25 o    7.343000      0.4171000       6.392000 0.6742000       8.295000      0.4912000      -1.903000      0.8341000
  1 1 1       0   11   26 o    1.984000      0.4822000       2.564000 0.7244000       1.403000      0.6367000       1.161000      0.9644000
  1 1 1       0   11   27 o    4.213000      0.3857000       4.280000 0.5133000       4.147000      0.5759000      0.1325000      0.7714000
  1 1 1       0   11   28 f    2.946000      0.5412000       3.664000 0.7166000       2.228000      0.8112000       1.436000       1.082000
  1 1 1       0   11   29 o    4.398000      0.4152000       5.071000 0.4485000       3.725000      0.6989000       1.345000      0.8304000
  1 1 1       0   11   30 o    5.506000      0.3555000       5.860000 0.4231000       5.153000      0.5715000      0.7070000      0.7111000
  1 1 1       0   11   31 o    10.13000      0.2640000       10.17000 0.3460000       10.10000      0.3988000      0.7323000E-01  0.5280000
  1 1 1       0   11   32 o    4.103000      0.4655000       3.483000 0.6685000       4.723000      0.6481000      -1.240000      0.9311000
  1 1 1       0   11   33 o    7.551000      0.2993000       7.134000 0.4099000       7.968000      0.4363000     -0.8336000      0.5987000
  1 1 1       0   11   34 o    3.959000      0.5006000       3.912000 0.6647000       4.006000      0.7486000     -0.9469000E-01   1.001000
  1 1 1       0   11   35 o    2.647000      0.6019000       2.868000 0.8231000       2.426000      0.8784000      0.4423000       1.204000
  1 1 1       0   11   36 o    2.520000      0.6101000       2.569000 0.8488000       2.471000      0.8765000      0.9802000E-01   1.220000
  1 1 1       0   12    0 o    5.891000      0.4520000       5.818000 0.6692000       5.965000      0.6077000     -0.1469000      0.9039000
  1 1 1       0   12    1 o    11.55000      0.3045000       11.27000 0.4289000       11.83000      0.4323000     -0.5594000      0.6089000
  1 1 1       0   12    2 o    24.97000      0.3747000       25.12000 0.5502000       24.83000      0.5089000      0.2843000      0.7494000
  1 1 1       0   12    3 o    29.00000      0.5594000       30.10000 0.9698000       27.89000      0.5580000       2.211000       1.119000
  1 1 1       0   12    4 o    10.56000      0.4001000       11.49000 0.7455000       9.635000      0.2906000       1.856000      0.8001000
  1 1 1       0   12    5 o    1.352000      0.4073000       1.142000 0.5223000       1.562000      0.6251000     -0.4203000      0.8146000
  1 1 1       0   12    6 o    3.106000      0.2778000       3.383000 0.3669000       2.830000      0.4172000      0.5526000      0.5556000
  1 1 1       0   12    7 f    1.252000      0.3642000       1.237000 0.5170000       1.267000      0.5130000     -0.2952000E-01  0.7283000
  1 1 1       0   12    8 o    2.499000      0.3133000       2.710000 0.4240000       2.289000      0.4612000      0.4202000      0.6265000
  1 1 1       0   12    9 o    10.93000      0.1809000       11.22000 0.2626000       10.64000      0.2489000      0.5872000      0.3618000
  1 1 1       0   12   10 o    8.524000      0.1633000       8.527000 0.2321000       8.521000      0.2298000      0.6519000E-02  0.3266000
  1 1 1       0   12   11 o    6.812000      0.1653000       6.698000 0.2358000       6.925000      0.2316000     -0.2269000      0.3305000
  1 1 1       0   12   12 o    8.684000      0.1706000       8.796000 0.2445000       8.571000      0.2379000      0.2255000      0.3412000
  1 1 1       0   12   13 o    13.59000      0.2102000       13.65000 0.2996000       13.53000      0.2948000      0.1247000      0.4204000
  1 1 1       0   12   14 o    4.407000      0.2087000       4.394000 0.2985000       4.420000      0.2918000     -0.2590000E-01  0.4175000
  1 1 1       0   12   15 o    8.790000      0.1823000       8.987000 0.2602000       8.593000      0.2555000      0.3939000      0.3647000
  1 1 1       0   12   16 o    1.976000      0.4177000       2.135000 0.5815000       1.817000      0.5998000      0.3172000      0.8354000
  1 1 1       0   12   17 o    5.631000      0.2127000       5.520000 0.3008000       5.742000      0.3007000     -0.2215000      0.4253000
  1 1 1       0   12   18 o    2.926000      0.4482000       2.358000 0.6809000       3.494000      0.5829000      -1.136000      0.8963000
  1 1 1       0   12   19 o    2.424000      0.5010000       2.233000 0.6978000       2.615000      0.7191000     -0.3823000       1.002000
  1 1 1       0   12   20 o    2.350000      0.4559000       2.307000 0.6505000       2.393000      0.6390000     -0.8625000E-01  0.9118000
  1 1 1       0   12   21 o    2.184000      0.4721000       1.891000 0.6761000       2.477000      0.6591000     -0.5860000      0.9442000
  1 1 1       0   12   22 o    3.097000      0.6079000       3.935000 0.8619000       2.259000      0.8573000       1.676000       1.216000
  1 1 1       0   12   23 o    2.528000      0.6160000       1.972000 0.8701000       3.085000      0.8723000      -1.113000       1.232000
  1 1 1       0   12   24 o    1.941000      0.5065000       1.890000 0.7166000       1.992000      0.7161000     -0.1022000       1.013000
  1 1 1       0   12   25 o    1.997000      0.5304000       2.010000 0.7525000       1.985000      0.7477000      0.2555000E-01   1.061000
  1 1 1       0   12   26 o    10.99000      0.2396000       11.06000 0.3443000       10.91000      0.3332000      0.1536000      0.4791000
  1 1 1       0   12   27 f    11.66000      0.2461000       11.60000 0.3482000       11.73000      0.3478000     -0.1284000      0.4921000
  1 1 1       0   12   28 f    3.486000      0.4906000       2.978000 0.7510000       3.995000      0.6314000      -1.018000      0.9812000
  1 1 1       0   12   29 o    1.793000      0.5324000       1.702000 0.7309000       1.883000      0.7745000     -0.1806000       1.065000
  1 1 1       0   12   30 o    14.46000      0.2678000       14.88000 0.3732000       14.03000      0.3841000      0.8462000      0.5356000
  1 1 1       0   12   31 o    9.242000      0.2684000       9.177000 0.3595000       9.307000      0.3987000     -0.1302000      0.5368000
  1 1 1       0   12   32 o    4.615000      0.4262000       4.224000 0.5815000       5.006000      0.6233000     -0.7818000      0.8524000
  1 1 1       0   12   33 o    4.199000      0.4564000       4.149000 0.5877000       4.248000      0.6983000     -0.9968000E-01  0.9127000
  1 1 1       0   12   34 o    5.609000      0.3712000       5.308000 0.5227000       5.909000      0.5273000     -0.6006000      0.7425000
  1 1 1       0   12   35 o    2.086000      0.5821000       1.671000 0.7401000       2.500000      0.8987000     -0.8287000       1.164000
  1 1 1       0   13    0 o    2.854000      0.6932000       2.730000 0.9913000       2.978000      0.9692000     -0.2485000       1.386000
  1 1 1       0   13    1 o    2.453000      0.6632000       2.849000 0.9560000       2.057000      0.9194000      0.7920000       1.326000
  1 1 1       0   13    2 o    21.72000      0.4528000       21.06000 0.5998000       22.37000      0.6783000      -1.315000      0.9055000
  1 1 1       0   13    3 o    11.32000      0.2800000       10.85000 0.4044000       11.80000      0.3875000     -0.9479000      0.5601000
  1 1 1       0   13    4 o    10.82000      0.2691000       10.75000 0.3608000       10.89000      0.3994000     -0.1419000      0.5382000
  1 1 1       0   13    5 o    13.39000      0.2299000       12.97000 0.3279000       13.80000      0.3223000     -0.8361000      0.4597000
  1 1 1       0   13    6 o    20.84000      0.3548000       20.09000 0.5622000       21.58000      0.4331000      -1.487000      0.7097000
  1 1 1       0   13    7 o    4.388000      0.2240000       4.616000 0.3176000       4.161000      0.3159000      0.4546000      0.4479000
  1 1 1       0   13    8 o    17.55000      0.2549000       17.52000 0.3620000       17.58000      0.3588000     -0.5614000E-01  0.5097000
  1 1 1       0   13    9 o    4.145000      0.2218000       4.331000 0.3147000       3.959000      0.3126000      0.3717000      0.4435000
  1 1 1       0   13   10 o    1.492000      0.3738000       1.746000 0.5495000       1.237000      0.5070000      0.5088000      0.7477000
  1 1 1       0   13   11 o    2.883000      0.2752000       3.058000 0.3747000       2.709000      0.4032000      0.3491000      0.5505000
  1 1 1       0   13   12 o    1.632000      0.3750000       1.258000 0.5248000       2.005000      0.5358000     -0.7466000      0.7500000
  1 1 1       0   13   13 o    2.516000      0.3527000       2.368000 0.5513000       2.664000      0.4401000     -0.2961000      0.7054000
  1 1 1       0   13   14 o    6.655000      0.1784000       6.593000 0.2546000       6.716000      0.2500000     -0.1234000      0.3568000
  1 1 1       0   13   15 o    2.257000      0.3896000       2.310000 0.5576000       2.204000      0.5444000      0.1058000      0.7793000
  1 1 1       0   13   16 o    6.133000      0.2588000       6.492000 0.3511000       5.775000      0.3802000      0.7175000      0.5176000
  1 1 1       0   13   17 f    10.21000      0.2658000       10.65000 0.3789000       9.768000      0.3730000      0.8837000      0.5317000
  1 1 1       0   13   18 o    1.641000      0.4430000       1.491000 0.6170000       1.792000      0.6358000     -0.3007000      0.8860000
  1 1 1       0   13   19 o    1.772000      0.4522000       1.564000 0.6265000       1.981000      0.6523000     -0.4172000      0.9044000
  1 1 1       0   13   20 o    8.099000      0.3267000       8.288000 0.4904000       7.909000      0.4316000      0.3788000      0.6533000
  1 1 1       0   13   21 f    5.247000      0.4702000       4.372000 0.8117000       6.122000      0.4748000      -1.751000      0.9403000
  1 1 1       0   13   22 o    5.611000      0.2616000       5.538000 0.3828000       5.684000      0.3566000     -0.1465000      0.5232000
  1 1 1       0   13   23 o    7.086000      0.2417000       7.033000 0.3485000       7.139000      0.3350000     -0.1057000      0.4834000
  1 1 1       0   13   24 o    8.298000      0.2397000       8.255000 0.3425000       8.340000      0.3354000     -0.8572000E-01  0.4794000
  1 1 1       0   13   25 o    16.94000      0.2761000       16.93000 0.3929000       16.95000      0.3879000     -0.1880000E-01  0.5521000
  1 1 1       0   13   26 o    6.387000      0.2815000       6.421000 0.3876000       6.353000      0.4085000      0.6819000E-01  0.5631000
  1 1 1       0   13   27 o    1.890000      0.5177000       1.595000 0.6934000       2.185000      0.7691000     -0.5903000       1.035000
  1 1 1       0   13   28 o    5.400000      0.3403000       4.928000 0.5171000       5.872000      0.4423000     -0.9448000      0.6805000
  1 1 1       0   13   29 o    4.193000      0.4458000       4.324000 0.6128000       4.062000      0.6477000      0.2624000      0.8917000
  1 1 1       0   13   30 o    11.08000      0.2696000       11.40000 0.3858000       10.76000      0.3766000      0.6460000      0.5392000
  1 1 1       0   13   31 o    1.980000      0.5715000       1.737000 0.7583000       2.223000      0.8553000     -0.4860000       1.143000
  1 1 1       0   13   32 o    2.476000      0.5704000       2.908000 0.7908000       2.044000      0.8222000      0.8646000       1.141000
  1 1 1       0   13   33 o    3.122000      0.5720000       2.647000 0.8349000       3.597000      0.7821000     -0.9498000       1.144000
  1 1 1       0   13   34 o    2.072000      0.5841000       2.340000 0.8511000       1.803000      0.8002000      0.5367000       1.168000
  1 1 1       0   13   35 o    6.245000      0.3706000       6.850000 0.4681000       5.641000      0.5747000       1.209000      0.7412000
  1 1 1       0   14    0 o    2.761000      0.7450000       3.012000 1.089000       2.510000       1.017000      0.5018000       1.490000
  1 1 1       0   14    1 o    7.066000      0.4490000       6.280000 0.6522000       7.852000      0.6172000      -1.572000      0.8979000
  1 1 1       0   14    2 o    3.715000      0.5731000       3.534000 0.7519000       3.895000      0.8650000     -0.3612000       1.146000
  1 1 1       0   14    3 f    10.71000      0.2933000       10.86000 0.4096000       10.55000      0.4199000      0.3090000      0.5866000
  1 1 1       0   14    4 o    11.83000      0.5536000       13.13000 1.052000       10.53000      0.3458000       2.605000       1.107000
  1 1 1       0   14    5 o    2.904000      0.4427000       3.065000 0.5547000       2.743000      0.6901000      0.3222000      0.8854000
  1 1 1       0   14    6 o    14.76000      0.2440000       15.12000 0.3615000       14.40000      0.3279000      0.7182000      0.4881000
  1 1 1       0   14    7 o    8.380000      0.2194000       8.297000 0.2887000       8.463000      0.3305000     -0.1667000      0.4388000
  1 1 1       0   14    8 f    19.23000      0.2802000       19.30000 0.4010000       19.17000      0.3914000      0.1326000      0.5604000
  1 1 1       0   14    9 o    6.851000      0.1821000       6.920000 0.2635000       6.783000      0.2515000      0.1374000      0.3643000
  1 1 1       0   14   10 o    2.876000      0.3163000       2.745000 0.4787000       3.006000      0.4136000     -0.2613000      0.6327000
  1 1 1       0   14   11 o    3.733000      0.2625000       3.297000 0.4183000       4.170000      0.3172000     -0.8726000      0.5250000
  1 1 1       0   14   12 o    1.471000      0.3947000       1.341000 0.5539000       1.601000      0.5625000     -0.2608000      0.7894000
  1 1 1       0   14   13 o    6.379000      0.2606000       6.216000 0.3687000       6.542000      0.3686000     -0.3261000      0.5213000
  1 1 1       0   14   14 o    12.73000      0.2895000       12.69000 0.4066000       12.77000      0.4121000     -0.7444000E-01  0.5789000
  1 1 1       0   14   15 o    3.340000      0.4073000       4.237000 0.4288000       2.443000      0.6926000       1.794000      0.8146000
  1 1 1       0   14   16 o    3.877000      0.2766000       3.501000 0.4249000       4.253000      0.3543000     -0.7525000      0.5533000
  1 1 1       0   14   17 o    3.875000      0.4129000       3.875000 0.4129000                  ?              ?              ?              ?
  1 1 1       0   14   18 o    6.293000      0.3579000       6.221000 0.5608000       6.364000      0.4447000     -0.1427000      0.7157000
  1 1 1       0   14   19 o    3.450000      0.7104000                  ?       ?   3.450000      0.7104000                  ?              ?
  1 1 1       0   14   20 o    1.444000      0.4349000       1.673000 0.6652000       1.216000      0.5605000      0.4571000      0.8698000
  1 1 1       0   14   21 o    7.160000      0.2302000       7.009000 0.3364000       7.311000      0.3144000     -0.3015000      0.4605000
  1 1 1       0   14   22 o    9.697000      0.2212000       9.459000 0.3167000       9.934000      0.3089000     -0.4744000      0.4424000
  1 1 1       0   14   23 o    7.199000      0.2647000       7.825000 0.4013000       6.574000      0.3454000       1.251000      0.5295000
  1 1 1       0   14   24 o    4.488000      0.3405000       4.634000 0.4727000       4.343000      0.4902000      0.2911000      0.6810000
  1 1 1       0   14   25 o    3.493000      0.4524000       2.652000 0.7390000       4.334000      0.5219000      -1.682000      0.9047000
  1 1 1       0   14   26 o    6.737000      0.2711000       6.557000 0.3884000       6.917000      0.3783000     -0.3600000      0.5422000
  1 1 1       0   14   27 o    2.268000      0.5076000       3.015000 0.7467000       1.521000      0.6879000       1.493000       1.015000
  1 1 1       0   14   28 o    5.376000      0.3466000       5.286000 0.5021000       5.466000      0.4779000     -0.1802000      0.6931000
  1 1 1       0   14   29 o    4.595000      0.4104000       4.411000 0.5859000       4.780000      0.5748000     -0.3687000      0.8208000
  1 1 1       0   14   30 o    1.968000      0.5517000       1.535000 0.7097000       2.402000      0.8448000     -0.8669000       1.103000
  1 1 1       0   14   31 o    4.024000      0.5028000       4.269000 0.6459000       3.780000      0.7708000      0.4890000       1.006000
  1 1 1       0   14   32 o    6.752000      0.3320000       6.129000 0.4891000       7.376000      0.4492000      -1.247000      0.6641000
  1 1 1       0   14   33 o    2.662000      0.6076000       2.224000 0.8443000       3.099000      0.8741000     -0.8745000       1.215000
  1 1 1       0   14   34 o    4.360000      0.4948000       3.932000 0.7441000       4.788000      0.6525000     -0.8559000      0.9896000
  1 1 1       0   15    0 o    4.164000       1.002000       4.099000 1.076000       4.230000       1.692000     -0.1309000       2.005000
  1 1 1       0   15    1 o    3.900000      0.7087000       4.083000 0.8833000       3.716000       1.109000      0.3670000       1.417000
  1 1 1       0   15    2 f    7.690000      0.3419000       7.346000 0.4516000       8.033000      0.5135000     -0.6875000      0.6839000
  1 1 1       0   15    3 o    7.622000      0.3527000       7.904000 0.4393000       7.339000      0.5520000      0.5646000      0.7055000
  1 1 1       0   15    4 o    1.927000      0.5327000       1.398000 0.6434000       2.456000      0.8491000      -1.057000       1.065000
  1 1 1       0   15    5 o    1.694000      0.4943000       1.317000 0.6037000       2.071000      0.7828000     -0.7537000      0.9886000
  1 1 1       0   15    6 o    3.892000      0.3569000       3.698000 0.5214000       4.086000      0.4875000     -0.3881000      0.7138000
  1 1 1       0   15    7 o    12.47000      0.3930000       13.07000 0.6192000       11.87000      0.4842000       1.201000      0.7861000
  1 1 1       0   15    8 o    1.518000      0.4240000       1.794000 0.6493000       1.241000      0.5454000      0.5534000      0.8480000
  1 1 1       0   15    9 o    12.78000      0.2152000       12.76000 0.3105000       12.79000      0.2980000     -0.2816000E-01  0.4304000
  1 1 1       0   15   10 o    7.096000      0.3179000       7.259000 0.4817000       6.934000      0.4150000      0.3248000      0.6358000
  1 1 1       0   15   11 o    7.923000      0.3102000       7.940000 0.4546000       7.905000      0.4222000      0.3481000E-01  0.6204000
  1 1 1       0   15   12 o    15.15000      0.3367000       15.99000 0.4949000       14.31000      0.4568000       1.678000      0.6735000
  1 1 1       0   15   13 o    5.014000      0.2127000       5.152000 0.3118000       4.875000      0.2894000      0.2771000      0.4255000
  1 1 1       0   15   14 f    2.891000      0.3462000       2.619000 0.5417000       3.164000      0.4314000     -0.5452000      0.6925000
  1 1 1       0   15   15 o    7.555000      0.1888000       7.470000 0.2644000       7.640000      0.2695000     -0.1699000      0.3775000
  1 1 1       0   15   16 o    12.90000      0.3143000       12.40000 0.4464000       13.41000      0.4426000      -1.008000      0.6286000
  1 1 1       0   15   17 o    6.147000      0.5454000       6.147000 0.5454000                  ?              ?              ?              ?
  1 1 1       0   15   18 o    4.111000      0.2969000       4.316000 0.4140000       3.905000      0.4255000      0.4108000      0.5937000
  1 1 1       0   15   19 o    8.414000      0.2939000                  ?       ?   8.414000      0.2939000                  ?              ?
  1 1 1       0   15   20 o    6.087000      0.2506000       6.324000 0.3635000       5.850000      0.3451000      0.4749000      0.5012000
  1 1 1       0   15   21 o    8.852000      0.2218000       9.250000 0.3203000       8.453000      0.3070000      0.7975000      0.4437000
  1 1 1       0   15   22 o    4.608000      0.3307000       4.054000 0.5229000       5.162000      0.4050000      -1.108000      0.6614000
  1 1 1       0   15   23 o    1.382000      0.4360000       1.522000 0.6534000       1.242000      0.5774000      0.2807000      0.8719000
  1 1 1       0   15   24 o    5.202000      0.3020000       5.113000 0.4333000       5.290000      0.4208000     -0.1771000      0.6040000
  1 1 1       0   15   25 o    4.669000      0.3396000       5.138000 0.4509000       4.201000      0.5079000      0.9372000      0.6792000
  1 1 1       0   15   26 o    2.005000      0.5181000       1.684000 0.7057000       2.326000      0.7588000     -0.6425000       1.036000
  1 1 1       0   15   27 o    1.599000      0.4925000       1.805000 0.7473000       1.392000      0.6416000      0.4136000      0.9849000
  1 1 1       0   15   28 o    2.611000      0.5717000       2.198000 0.8159000       3.025000      0.8011000     -0.8277000       1.143000
  1 1 1       0   15   29 o    2.730000      0.5946000       2.458000 0.8478000       3.003000      0.8339000     -0.5456000       1.189000
  1 1 1       0   15   30 o    1.747000      0.5424000       1.734000 0.7616000       1.761000      0.7725000     -0.2768000E-01   1.085000
  1 1 1       0   15   31 o    1.765000      0.5525000       1.727000 0.7747000       1.804000      0.7878000     -0.7651000E-01   1.105000
  1 1 1       0   15   32 o    4.926000      0.4300000       5.184000 0.5719000       4.668000      0.6423000      0.5164000      0.8600000
  1 1 1       0   15   33 o    2.036000      0.5741000       2.026000 0.8244000       2.047000      0.7993000     -0.2076000E-01   1.148000
  1 1 1       0   15   34 o    1.861000      0.6043000       1.550000 0.7515000       2.172000      0.9464000     -0.6228000       1.209000
  1 1 1       0   16    0 o    5.108000      0.6609000       6.038000 0.8354000       4.178000       1.024000       1.860000       1.322000
  1 1 1       0   16    1 o    12.22000      0.3854000       12.54000 0.5289000       11.89000      0.5607000      0.6486000      0.7707000
  1 1 1       0   16    2 o    3.250000      0.6431000       2.284000 0.8636000       4.216000      0.9531000      -1.932000       1.286000
  1 1 1       0   16    3 o    4.143000      0.7018000       3.281000 0.8957000       5.005000       1.081000      -1.723000       1.404000
  1 1 1       0   16    4 o    5.743000      0.3536000       5.379000 0.4759000       6.107000      0.5229000     -0.7281000      0.7071000
  1 1 1       0   16    5 o    6.387000      0.5101000       5.548000 0.4433000       7.226000      0.9189000      -1.679000       1.020000
  1 1 1       0   16    6 o    5.093000      0.8886000       4.098000 1.549000       6.088000      0.8716000      -1.990000       1.777000
  1 1 1       0   16    7 o    5.915000      0.6538000       5.505000 1.131000       6.325000      0.6557000     -0.8199000       1.308000
  1 1 1       0   16    8 o    3.599000      0.8260000       4.005000 1.286000       3.193000       1.037000      0.8123000       1.652000
  1 1 1       0   16    9 o    11.74000      0.2453000       11.36000 0.3850000       12.12000      0.3040000     -0.7669000      0.4906000
  1 1 1       0   16   10 o    15.30000      0.2395000       15.31000 0.3447000       15.29000      0.3325000      0.2554000E-01  0.4789000
  1 1 1       0   16   11 f    5.263000      0.2319000       5.375000 0.3383000       5.151000      0.3172000      0.2239000      0.4637000
  1 1 1       0   16   12 o    8.696000      0.1904000       8.632000 0.2715000       8.759000      0.2670000     -0.1268000      0.3808000
  1 1 1       0   16   13 o    10.05000      0.2677000       9.774000 0.3879000       10.33000      0.3690000     -0.5582000      0.5354000
  1 1 1       0   16   14 o    8.711000      0.2674000       8.534000 0.3947000       8.889000      0.3608000     -0.3550000      0.5348000
  1 1 1       0   16   15 o    5.810000      0.2220000       5.866000 0.3176000       5.755000      0.3103000      0.1104000      0.4440000
  1 1 1       0   16   16 o    3.237000      0.3683000       3.262000 0.5352000       3.212000      0.5062000      0.5043000E-01  0.7366000
  1 1 1       0   16   17 o    13.95000      0.2339000       14.16000 0.3381000       13.75000      0.3232000      0.4189000      0.4677000
  1 1 1       0   16   18 o    16.11000      0.2537000       16.03000 0.3606000       16.19000      0.3570000     -0.1588000      0.5074000
  1 1 1       0   16   19 o    13.32000      0.2324000       12.90000 0.3299000       13.73000      0.3274000     -0.8330000      0.4648000
  1 1 1       0   16   20 o    8.286000      0.2193000       8.348000 0.3169000       8.224000      0.3033000      0.1242000      0.4387000
  1 1 1       0   16   21 o    16.95000      0.2689000       17.12000 0.3870000       16.78000      0.3734000      0.3462000      0.5377000
  1 1 1       0   16   22 o    10.40000      0.2271000       10.45000 0.3235000       10.35000      0.3190000      0.9751000E-01  0.4543000
  1 1 1       0   16   23 o    1.871000      0.5053000       2.159000 0.7471000       1.584000      0.6805000      0.5750000       1.011000
  1 1 1       0   16   24 o    5.645000      0.2933000       5.943000 0.4029000       5.347000      0.4265000      0.5956000      0.5867000
  1 1 1       0   16   25 f    1.866000      0.5211000       1.849000 0.7328000       1.883000      0.7409000     -0.3396000E-01   1.042000
  1 1 1       0   16   26 o    1.695000      0.5061000       1.589000 0.6925000       1.801000      0.7384000     -0.2124000       1.012000
  1 1 1       0   16   27 o    4.635000      0.3713000       4.500000 0.5482000       4.771000      0.5008000     -0.2702000      0.7425000
  1 1 1       0   16   28 o    2.131000      0.5815000       2.302000 0.8373000       1.959000      0.8071000      0.3428000       1.163000
  1 1 1       0   16   29 o    5.267000      0.4028000       5.553000 0.5545000       4.980000      0.5845000      0.5728000      0.8057000
  1 1 1       0   16   30 o    4.072000      0.5172000       3.723000 0.8143000       4.420000      0.6381000     -0.6971000       1.034000
  1 1 1       0   16   31 o    2.145000      0.5795000       1.761000 0.7846000       2.528000      0.8531000     -0.7672000       1.159000
  1 1 1       0   16   32 o    2.253000      0.6760000       2.230000 0.9407000       2.275000      0.9710000     -0.4501000E-01   1.352000
  1 1 1       0   16   33 o    4.224000      0.5867000       4.734000 0.8306000       3.714000      0.8287000       1.020000       1.173000
  1 1 1       0   17    0 o    3.194000      0.8319000       2.941000 1.340000       3.447000      0.9862000     -0.5056000       1.664000
  1 1 1       0   17    1 o    8.098000       1.004000       9.308000 1.749000       6.888000      0.9855000       2.420000       2.007000
  1 1 1       0   17    2 o    9.658000       1.116000       8.386000 2.110000       10.93000      0.7288000      -2.545000       2.233000
  1 1 1       0   17    3 o    18.71000      0.6599000       17.88000 1.115000       19.53000      0.7053000      -1.650000       1.320000
  1 1 1       0   17    4 o    4.999000      0.4189000       5.813000 0.4174000       4.184000      0.7264000       1.629000      0.8378000
  1 1 1       0   17    5 o    9.753000      0.2626000       9.807000 0.3778000       9.698000      0.3648000      0.1089000      0.5252000
  1 1 1       0   17    6 o    1.911000      0.5434000       2.024000 0.7760000       1.798000      0.7608000      0.2265000       1.087000
  1 1 1       0   17    7 o    6.686000      0.2612000       6.888000 0.3783000       6.484000      0.3603000      0.4042000      0.5225000
  1 1 1       0   17    8 o    4.033000      0.3346000       3.932000 0.5025000       4.133000      0.4420000     -0.2013000      0.6692000
  1 1 1       0   17    9 o    7.384000      0.2604000       7.489000 0.3761000       7.279000      0.3603000      0.2098000      0.5209000
  1 1 1       0   17   10 o    1.899000      0.4790000       2.249000 0.7235000       1.549000      0.6280000      0.7000000      0.9581000
  1 1 1       0   17   11 o    1.959000      0.4804000       2.061000 0.7144000       1.856000      0.6425000      0.2050000      0.9608000
  1 1 1       0   17   12 o    1.918000      0.4665000       1.725000 0.6789000       2.110000      0.6400000     -0.3850000      0.9330000
  1 1 1       0   17   13 o    3.901000      0.3161000       3.989000 0.4646000       3.814000      0.4288000      0.1757000      0.6322000
  1 1 1       0   17   14 o    5.277000      0.2554000       5.187000 0.3899000       5.368000      0.3301000     -0.1802000      0.5109000
  1 1 1       0   17   15 f    4.536000      0.2796000       4.282000 0.4262000       4.789000      0.3621000     -0.5065000      0.5593000
  1 1 1       0   17   16 o    6.152000      0.2297000       6.303000 0.3328000       6.001000      0.3166000      0.3023000      0.4594000
  1 1 1       0   17   17 o    17.37000      0.2666000       17.42000 0.3813000       17.31000      0.3726000      0.1175000      0.5331000
  1 1 1       0   17   18 o    6.028000      0.2559000       6.099000 0.3728000       5.956000      0.3506000      0.1430000      0.5117000
  1 1 1       0   17   19 o    3.360000      0.4127000       3.545000 0.5869000       3.174000      0.5803000      0.3711000      0.8254000
  1 1 1       0   17   20 o    1.490000      0.4647000       1.501000 0.6613000       1.478000      0.6529000      0.2288000E-01  0.9293000
  1 1 1       0   17   21 o    7.274000      0.2430000       7.117000 0.3586000       7.432000      0.3279000     -0.3148000      0.4859000
  1 1 1       0   17   22 o    2.762000      0.5032000       2.509000 0.7438000       3.015000      0.6779000     -0.5068000       1.006000
  1 1 1       0   17   23 f    6.969000      0.2632000       7.214000 0.3730000       6.724000      0.3714000      0.4898000      0.5264000
  1 1 1       0   17   24 o    7.137000      0.2679000       7.008000 0.3826000       7.265000      0.3752000     -0.2568000      0.5359000
  1 1 1       0   17   25 f    1.785000      0.5260000       1.874000 0.7590000       1.697000      0.7284000      0.1766000       1.052000
  1 1 1       0   17   26 f    3.037000      0.5407000       2.903000 0.7970000       3.171000      0.7311000     -0.2678000       1.081000
  1 1 1       0   17   27 o    3.147000      0.5398000       3.446000 0.7179000       2.848000      0.8064000      0.5974000       1.080000
  1 1 1       0   17   28 o    1.641000      0.5236000       1.655000 0.7418000       1.627000      0.7390000      0.2743000E-01   1.047000
  1 1 1       0   17   29 o    6.048000      0.3585000       6.510000 0.4977000       5.586000      0.5160000      0.9233000      0.7169000
  1 1 1       0   17   30 o    2.546000      0.6871000       1.964000 0.8695000       3.128000       1.064000      -1.164000       1.374000
  1 1 1       0   17   31 o    2.146000      0.6624000       1.999000 0.8978000       2.294000      0.9743000     -0.2952000       1.325000
  1 1 1       0   17   32 o    5.143000      0.4395000       5.621000 0.5635000       4.664000      0.6745000      0.9570000      0.8789000
  1 1 1       0   17   33 f    3.102000      0.6096000       3.029000 0.8209000       3.174000      0.9015000     -0.1448000       1.219000
  1 1 1       0   18    0 o    2.996000      0.7210000       2.283000 1.025000       3.709000       1.014000      -1.426000       1.442000
  1 1 1       0   18    1 o    7.182000      0.5590000       6.493000 0.8470000       7.871000      0.7296000      -1.378000       1.118000
  1 1 1       0   18    2 o    4.128000      0.6762000       3.432000 0.9569000       4.824000      0.9557000      -1.392000       1.352000
  1 1 1       0   18    3 o    5.773000      0.5144000       5.418000 0.6505000       6.129000      0.7972000     -0.7109000       1.029000
  1 1 1       0   18    4 o    8.361000      0.3663000       7.991000 0.4645000       8.731000      0.5667000     -0.7406000      0.7327000
  1 1 1       0   18    5 o    9.050000      0.2858000       9.010000 0.3876000       9.090000      0.4202000     -0.8031000E-01  0.5716000
  1 1 1       0   18    6 o    2.963000      0.5098000       2.137000 0.7884000       3.788000      0.6465000      -1.650000       1.020000
  1 1 1       0   18    7 o    7.989000      0.2796000       8.100000 0.3854000       7.879000      0.4051000      0.2213000      0.5591000
  1 1 1       0   18    8 o    7.122000      0.2631000       6.787000 0.3916000       7.457000      0.3514000     -0.6697000      0.5262000
  1 1 1       0   18    9 o    5.728000      0.2858000       5.680000 0.4252000       5.776000      0.3820000     -0.9626000E-01  0.5716000
  1 1 1       0   18   10 o    4.954000      0.3145000       5.140000 0.4643000       4.768000      0.4244000      0.3722000      0.6291000
  1 1 1       0   18   11 o    2.929000      0.4153000       3.496000 0.5619000       2.362000      0.6116000       1.134000      0.8305000
  1 1 1       0   18   12 o    2.324000      0.4545000       1.923000 0.7134000       2.724000      0.5632000     -0.8013000      0.9089000
  1 1 1       0   18   13 o    1.879000      0.4753000       2.048000 0.7164000       1.710000      0.6248000      0.3385000      0.9506000
  1 1 1       0   18   14 o    2.103000      0.4627000       1.602000 0.6780000       2.603000      0.6298000      -1.001000      0.9254000
  1 1 1       0   18   15 o    11.39000      0.2215000       11.53000 0.3210000       11.26000      0.3052000      0.2761000      0.4429000
  1 1 1       0   18   16 o    12.22000      0.2251000       12.00000 0.3206000       12.43000      0.3159000     -0.4219000      0.4501000
  1 1 1       0   18   17 o    1.389000      0.4358000       1.392000 0.6219000       1.387000      0.6108000      0.4276000E-02  0.8716000
  1 1 1       0   18   18 o    2.898000      0.4441000       3.091000 0.6588000       2.705000      0.5958000      0.3851000      0.8883000
  1 1 1       0   18   19 o    1.732000      0.4953000       1.840000 0.7275000       1.624000      0.6724000      0.2164000      0.9906000
  1 1 1       0   18   20 o    1.468000      0.4592000       1.600000 0.6818000       1.335000      0.6154000      0.2647000      0.9184000
  1 1 1       0   18   21 o    6.347000      0.2664000       6.192000 0.3960000       6.503000      0.3563000     -0.3118000      0.5327000
  1 1 1       0   18   22 o    1.528000      0.4779000       1.542000 0.6800000       1.514000      0.6719000      0.2747000E-01  0.9559000
  1 1 1       0   18   23 o    1.884000      0.4716000       2.556000 0.7445000       1.213000      0.5792000       1.343000      0.9433000
  1 1 1       0   18   24 o    2.566000      0.5491000       2.657000 0.7521000       2.474000      0.8002000      0.1837000       1.098000
  1 1 1       0   18   25 o    3.202000      0.5350000       3.532000 0.7202000       2.873000      0.7912000      0.6584000       1.070000
  1 1 1       0   18   26 o    4.243000      0.4320000       4.397000 0.5985000       4.089000      0.6230000      0.3082000      0.8639000
  1 1 1       0   18   27 o    3.233000      0.5817000       3.386000 0.8158000       3.079000      0.8295000      0.3069000       1.163000
  1 1 1       0   18   28 o    4.432000      0.5988000       4.845000 0.6899000       4.019000      0.9789000      0.8264000       1.198000
  1 1 1       0   18   29 o    2.848000      0.6630000       3.539000 0.9311000       2.156000      0.9442000       1.383000       1.326000
  1 1 1       0   18   30 o    1.978000      0.5800000       1.637000 0.7524000       2.320000      0.8828000     -0.6827000       1.160000
  1 1 1       0   18   31 o    2.484000      0.6420000       2.366000 0.9163000       2.603000      0.8994000     -0.2367000       1.284000
  1 1 1       0   18   32 o    4.300000      0.7472000       4.138000 1.112000       4.463000      0.9984000     -0.3253000       1.494000
  1 1 1       0   19    0 o    5.533000      0.9323000       4.776000 1.208000       6.290000       1.420000      -1.513000       1.865000
  1 1 1       0   19    1 o    9.624000      0.5212000       9.496000 0.6071000       9.752000      0.8472000     -0.2557000       1.042000
  1 1 1       0   19    2 o    3.838000      0.7010000       3.828000 0.7486000       3.848000       1.185000     -0.1912000E-01   1.402000
  1 1 1       0   19    3 o    5.096000      0.5728000       4.141000 0.7330000       6.050000      0.8805000      -1.909000       1.146000
  1 1 1       0   19    4 o    3.733000      0.6775000       2.328000 0.9379000       5.138000      0.9778000      -2.810000       1.355000
  1 1 1       0   19    5 o    3.549000      0.5628000       3.457000 0.7825000       3.641000      0.8092000     -0.1847000       1.126000
  1 1 1       0   19    6 o    1.489000      0.4919000       1.405000 0.6662000       1.574000      0.7240000     -0.1693000      0.9839000
  1 1 1       0   19    7 o    2.774000      0.5585000       2.410000 0.8304000       3.138000      0.7470000     -0.7282000       1.117000
  1 1 1       0   19    8 o    1.808000      0.4920000       2.315000 0.7828000       1.300000      0.5963000       1.015000      0.9840000
  1 1 1       0   19    9 o    5.844000      0.2847000       5.634000 0.4376000       6.053000      0.3642000     -0.4197000      0.5693000
  1 1 1       0   19   10 o    4.695000      0.3387000       4.691000 0.5175000       4.699000      0.4372000     -0.7338000E-02  0.6775000
  1 1 1       0   19   11 o    1.792000      0.5071000       1.736000 0.7270000       1.848000      0.7072000     -0.1123000       1.014000
  1 1 1       0   19   12 o    8.852000      0.2326000       8.699000 0.3497000       9.005000      0.3068000     -0.3063000      0.4652000
  1 1 1       0   19   13 o    13.49000      0.2355000       13.58000 0.3432000       13.40000      0.3227000      0.1835000      0.4711000
  1 1 1       0   19   14 o    7.632000      0.2343000       7.601000 0.3585000       7.663000      0.3018000     -0.6184000E-01  0.4686000
  1 1 1       0   19   15 o    10.18000      0.2286000       10.31000 0.3351000       10.06000      0.3111000      0.2467000      0.4573000
  1 1 1       0   19   16 o    3.233000      0.4654000       3.077000 0.7318000       3.389000      0.5751000     -0.3117000      0.9307000
  1 1 1       0   19   17 o    1.776000      0.5104000       1.754000 0.7281000       1.799000      0.7155000     -0.4498000E-01   1.021000
  1 1 1       0   19   18 o    1.528000      0.6723000       1.528000 0.6723000                  ?              ?              ?              ?
  1 1 1       0   19   19 o    2.370000      0.5352000       2.483000 0.7779000       2.258000      0.7353000      0.2255000       1.070000
  1 1 1       0   19   20 f    3.525000      0.6107000                  ?       ?   3.525000      0.6107000                  ?              ?
  1 1 1       0   19   21 o    2.008000      0.5316000       1.836000 0.7519000       2.179000      0.7516000     -0.3438000       1.063000
  1 1 1       0   19   22 o    5.552000      0.3310000       5.466000 0.4978000       5.638000      0.4363000     -0.1723000      0.6619000
  1 1 1       0   19   23 o    2.336000      0.5727000       2.600000 0.8321000       2.071000      0.7869000      0.5286000       1.145000
  1 1 1       0   19   24 o    3.749000      0.4810000       4.027000 0.6510000       3.471000      0.7082000      0.5561000      0.9620000
  1 1 1       0   19   25 o    3.095000      0.5503000       3.025000 0.7955000       3.165000      0.7607000     -0.1401000       1.101000
  1 1 1       0   19   26 o    2.020000      0.6066000       2.345000 0.9104000       1.694000      0.8019000      0.6510000       1.213000
  1 1 1       0   19   27 o    3.426000      0.5919000       4.579000 0.6972000       2.272000      0.9566000       2.307000       1.184000
  1 1 1       0   19   28 o    3.688000      0.5613000       2.918000 0.8972000       4.459000      0.6748000      -1.541000       1.123000
  1 1 1       0   19   29 o    1.703000      0.5448000       2.058000 0.8709000       1.347000      0.6549000      0.7118000       1.090000
  1 1 1       0   19   30 o    2.354000      0.7138000       2.419000 1.058000       2.289000      0.9583000      0.1303000       1.428000
  1 1 1       0   19   31 o    2.922000      0.7137000       2.439000 0.8999000       3.406000       1.108000     -0.9662000       1.427000
  1 1 1       0   20    0 o    2.365000      0.7040000       2.587000 1.076000       2.142000      0.9085000      0.4446000       1.408000
  1 1 1       0   20    1 f    5.556000      0.6024000       5.422000 0.7676000       5.689000      0.9285000     -0.2663000       1.205000
  1 1 1       0   20    2 o    6.387000      0.5007000       5.010000 0.7366000       7.764000      0.6783000      -2.753000       1.001000
  1 1 1       0   20    3 o    6.220000      0.5669000       7.126000 0.5604000       5.314000      0.9856000       1.812000       1.134000
  1 1 1       0   20    4 o    5.057000      0.5289000       4.424000 0.7528000       5.690000      0.7432000      -1.266000       1.058000
  1 1 1       0   20    5 o    5.689000      0.3585000       5.668000 0.5000000       5.709000      0.5140000     -0.4065000E-01  0.7171000
  1 1 1       0   20    6 o    2.708000      0.5899000       2.622000 0.8142000       2.793000      0.8537000     -0.1702000       1.180000
  1 1 1       0   20    7 o    4.904000      0.4118000       4.164000 0.6492000       5.645000      0.5068000      -1.481000      0.8236000
  1 1 1       0   20    8 o    1.804000      0.5229000       1.828000 0.7502000       1.781000      0.7288000      0.4731000E-01   1.046000
  1 1 1       0   20    9 o    6.503000      0.2787000       5.768000 0.4228000       7.237000      0.3631000      -1.469000      0.5573000
  1 1 1       0   20   10 o    1.805000      0.5233000       1.904000 0.7709000       1.706000      0.7078000      0.1986000       1.047000
  1 1 1       0   20   11 o    5.192000      0.3341000       5.032000 0.5106000       5.351000      0.4311000     -0.3193000      0.6683000
  1 1 1       0   20   12 o    6.060000      0.2958000       5.873000 0.4565000       6.247000      0.3763000     -0.3740000      0.5916000
  1 1 1       0   20   13 o    7.704000      0.2533000       7.711000 0.3865000       7.698000      0.3275000      0.1334000E-01  0.5066000
  1 1 1       0   20   14 o    1.879000      0.5166000       2.051000 0.7844000       1.707000      0.6723000      0.3445000       1.033000
  1 1 1       0   20   15 o    6.305000      0.2902000       6.004000 0.4534000       6.607000      0.3624000     -0.6023000      0.5804000
  1 1 1       0   20   16 o    1.987000      0.5279000       1.804000 0.7629000       2.170000      0.7300000     -0.3658000       1.056000
  1 1 1       0   20   17 o    2.705000      0.5433000       2.746000 0.8216000       2.664000      0.7111000      0.8223000E-01   1.087000
  1 1 1       0   20   18 o    5.365000      0.4899000       5.365000 0.4899000                  ?              ?              ?              ?
  1 1 1       0   20   19 o    3.986000      0.4232000       4.315000 0.5933000       3.656000      0.6035000      0.6593000      0.8463000
  1 1 1       0   20   20 o    3.506000      0.6577000                  ?       ?   3.506000      0.6577000                  ?              ?
  1 1 1       0   20   21 o    4.876000      0.3737000       4.577000 0.5909000       5.176000      0.4577000     -0.5982000      0.7474000
  1 1 1       0   20   22 f    4.043000      0.4509000       4.076000 0.6625000       4.009000      0.6120000      0.6730000E-01  0.9019000
  1 1 1       0   20   23 o    4.705000      0.4814000       3.992000 0.7092000       5.418000      0.6512000      -1.426000      0.9628000
  1 1 1       0   20   24 o    1.860000      0.5985000       1.792000 0.8188000       1.928000      0.8732000     -0.1354000       1.197000
  1 1 1       0   20   25 o    4.020000      0.5654000       3.725000 0.9131000       4.316000      0.6671000     -0.5911000       1.131000
  1 1 1       0   20   26 o    3.697000      0.5514000       3.920000 0.7613000       3.473000      0.7978000      0.4464000       1.103000
  1 1 1       0   20   27 o    5.137000      0.3964000       4.653000 0.5777000       5.621000      0.5428000     -0.9681000      0.7927000
  1 1 1       0   20   28 o    4.514000      0.7265000       6.035000 0.9948000       2.992000       1.059000       3.043000       1.453000
  1 1 1       0   20   29 o    2.606000      0.5871000       1.964000 0.8365000       3.248000      0.8240000      -1.285000       1.174000
  1 1 1       0   20   30 o    2.381000      0.6354000       2.721000 0.9416000       2.041000      0.8536000      0.6797000       1.271000
  1 1 1       0   21    0 o    5.429000      0.5913000       5.961000 0.8725000       4.896000      0.7982000       1.065000       1.183000
  1 1 1       0   21    1 o    2.464000      0.7783000       2.320000 0.9857000       2.607000       1.205000     -0.2865000       1.557000
  1 1 1       0   21    2 o    4.264000      0.7485000       4.002000 0.9559000       4.525000       1.152000     -0.5223000       1.497000
  1 1 1       0   21    3 o    14.44000      0.4574000       14.72000 0.5106000       14.15000      0.7591000      0.5688000      0.9149000
  1 1 1       0   21    4 o    7.772000      0.4044000       7.825000 0.5288000       7.719000      0.6121000      0.1066000      0.8088000
  1 1 1       0   21    5 o    5.143000      0.4158000       4.760000 0.6013000       5.526000      0.5745000     -0.7662000      0.8316000
  1 1 1       0   21    6 o    2.318000      0.5759000       1.736000 0.7605000       2.900000      0.8650000      -1.163000       1.152000
  1 1 1       0   21    7 o    6.463000      0.3521000       6.289000 0.4979000       6.637000      0.4980000     -0.3482000      0.7042000
  1 1 1       0   21    8 o    2.397000      0.6038000       2.329000 0.8448000       2.464000      0.8630000     -0.1353000       1.208000
  1 1 1       0   21    9 f    2.459000      0.5624000       2.384000 0.8113000       2.534000      0.7791000     -0.1497000       1.125000
  1 1 1       0   21   10 o    3.576000      0.4505000       3.451000 0.6752000       3.700000      0.5965000     -0.2488000      0.9009000
  1 1 1       0   21   11 o    1.847000      0.5268000       1.493000 0.6998000       2.200000      0.7876000     -0.7074000       1.054000
  1 1 1       0   21   12 o    11.27000      0.2638000       11.13000 0.3909000       11.41000      0.3544000     -0.2750000      0.5277000
  1 1 1       0   21   13 o    5.836000      0.3180000       6.232000 0.4680000       5.440000      0.4305000      0.7920000      0.6359000
  1 1 1       0   21   14 o    2.393000      0.5510000       2.999000 0.8240000       1.788000      0.7318000       1.211000       1.102000
  1 1 1       0   21   15 o    10.37000      0.2497000       10.22000 0.3768000       10.51000      0.3279000     -0.2901000      0.4995000
  1 1 1       0   21   16 o    4.209000      0.4133000       4.173000 0.6581000       4.244000      0.5001000     -0.7010000E-01  0.8266000
  1 1 1       0   21   17 o    4.112000      0.4604000       4.794000 0.6072000       3.431000      0.6922000       1.363000      0.9208000
  1 1 1       0   21   18 o    1.803000      0.5361000       2.215000 0.8584000       1.390000      0.6425000      0.8247000       1.072000
  1 1 1       0   21   19 o    3.071000      0.5730000       3.447000 0.8020000       2.695000      0.8187000      0.7518000       1.146000
  1 1 1       0   21   20 o    1.363000      0.4548000       1.278000 0.6217000       1.449000      0.6641000     -0.1708000      0.9097000
  1 1 1       0   21   21 o    1.918000      0.5962000       2.205000 0.9172000       1.630000      0.7620000      0.5754000       1.192000
  1 1 1       0   21   22 o    4.483000      0.5629000       4.635000 0.7905000       4.330000      0.8016000      0.3054000       1.126000
  1 1 1       0   21   23 o    5.422000      0.3894000       5.690000 0.5484000       5.153000      0.5530000      0.5371000      0.7788000
  1 1 1       0   21   24 o    2.031000      0.5938000       2.068000 0.8554000       1.994000      0.8239000      0.7343000E-01   1.188000
  1 1 1       0   21   25 o    3.002000      0.7740000       2.737000 1.134000       3.267000       1.053000     -0.5300000       1.548000
  1 1 1       0   21   26 f    3.014000      0.7889000       3.556000 1.212000       2.471000       1.010000       1.085000       1.578000
  1 1 1       0   21   27 o    1.929000      0.5899000       2.171000 0.8968000       1.686000      0.7665000      0.4847000       1.180000
  1 1 1       0   21   28 o    3.756000      0.6033000       3.155000 0.9477000       4.357000      0.7469000      -1.203000       1.207000
  1 1 1       0   21   29 o    2.444000      0.6452000       2.860000 0.9559000       2.029000      0.8668000      0.8312000       1.290000
  1 1 1       0   21   30 o    2.537000      0.6386000       3.245000 0.9744000       1.828000      0.8259000       1.417000       1.277000
  1 1 1       0   22    0 o    7.210000      0.4968000       7.165000 0.7602000       7.256000      0.6397000     -0.9115000E-01  0.9935000
  1 1 1       0   22    1 o    3.015000      0.7664000       3.595000 1.120000       2.435000       1.047000       1.160000       1.533000
  1 1 1       0   22    2 o    3.963000      0.7219000       2.733000 1.042000       5.192000      0.9992000      -2.458000       1.444000
  1 1 1       0   22    3 o    5.036000      0.7088000       4.390000 1.001000       5.682000       1.004000      -1.292000       1.418000
  1 1 1       0   22    4 o    2.841000      0.7499000       2.748000 1.016000       2.935000       1.104000     -0.1869000       1.500000
  1 1 1       0   22    5 o    7.377000      0.3466000       6.786000 0.5000000       7.968000      0.4802000      -1.182000      0.6932000
  1 1 1       0   22    6 o    4.498000      0.5150000       4.156000 0.7569000       4.840000      0.6987000     -0.6838000       1.030000
  1 1 1       0   22    7 o    8.850000      0.3240000       8.640000 0.4697000       9.059000      0.4464000     -0.4184000      0.6480000
  1 1 1       0   22    8 o    6.151000      0.3724000       6.286000 0.5349000       6.016000      0.5184000      0.2702000      0.7448000
  1 1 1       0   22    9 o    9.572000      0.2884000       9.349000 0.4304000       9.795000      0.3839000     -0.4457000      0.5767000
  1 1 1       0   22   10 o    4.713000      0.4050000       4.393000 0.6293000       5.032000      0.5100000     -0.6389000      0.8100000
  1 1 1       0   22   11 o    6.716000      0.3114000       6.119000 0.4800000       7.312000      0.3968000      -1.193000      0.6228000
  1 1 1       0   22   12 o    6.373000      0.3377000       5.770000 0.5344000       6.977000      0.4131000      -1.207000      0.6754000
  1 1 1       0   22   13 o    2.264000      0.5593000       2.891000 0.8677000       1.637000      0.7061000       1.255000       1.119000
  1 1 1       0   22   14 o    1.714000      0.5313000       1.614000 0.7408000       1.815000      0.7617000     -0.2009000       1.063000
  1 1 1       0   22   15 o    7.967000      0.2810000       8.009000 0.4287000       7.926000      0.3635000      0.8317000E-01  0.5621000
  1 1 1       0   22   16 o    10.22000      0.2582000       10.23000 0.3851000       10.21000      0.3441000      0.1706000E-01  0.5164000
  1 1 1       0   22   17 o    3.829000      0.4846000       3.826000 0.7605000       3.832000      0.6009000     -0.6043000E-02  0.9693000
  1 1 1       0   22   18 f    3.439000      0.7573000       3.584000 1.088000       3.293000       1.053000      0.2914000       1.515000
  1 1 1       0   22   19 o    1.904000      0.6162000       2.446000 1.029000       1.362000      0.6789000       1.085000       1.232000
  1 1 1       0   22   20 o    6.112000      0.4350000       6.755000 0.6944000       5.469000      0.5241000       1.286000      0.8699000
  1 1 1       0   22   21 o    3.337000      0.5917000       4.100000 0.8172000       2.575000      0.8559000       1.525000       1.183000
  1 1 1       0   22   22 o    1.713000      0.5277000       1.965000 0.8049000       1.462000      0.6825000      0.5028000       1.055000
  1 1 1       0   22   23 o    2.626000      0.7348000       2.411000 1.053000       2.841000       1.025000     -0.4304000       1.470000
  1 1 1       0   22   24 o    4.379000      0.7308000       5.792000 0.9784000       2.967000       1.086000       2.825000       1.462000
  1 1 1       0   22   25 o    4.073000      0.5565000       3.872000 0.8537000       4.275000      0.7142000     -0.4029000       1.113000
  1 1 1       0   22   26 o    2.100000      0.6007000       2.663000 0.9599000       1.537000      0.7224000       1.125000       1.201000
  1 1 1       0   22   27 o    4.050000      0.6273000       4.232000 0.9102000       3.869000      0.8633000      0.3630000       1.255000
  1 1 1       0   22   28 o    2.617000      0.6824000       2.904000 0.9953000       2.329000      0.9338000      0.5747000       1.365000
  1 1 1       0   22   29 o    2.199000      0.6306000       1.798000 0.8193000       2.599000      0.9589000     -0.8006000       1.261000
  1 1 1       0   23    0 o    5.141000      0.6883000       4.992000 1.081000       5.291000      0.8526000     -0.2993000       1.377000
  1 1 1       0   23    1 o    3.657000      0.7377000       2.595000 1.054000       4.718000       1.033000      -2.123000       1.475000
  1 1 1       0   23    2 o    3.027000      0.8065000       3.550000 1.170000       2.505000       1.110000       1.044000       1.613000
  1 1 1       0   23    3 o    6.901000      0.5884000       7.378000 0.6662000       6.425000      0.9700000      0.9531000       1.177000
  1 1 1       0   23    4 f    5.272000      0.6974000       5.664000 0.8144000       4.880000       1.132000      0.7837000       1.395000
  1 1 1       0   23    5 o    3.067000      0.6798000       3.142000 0.9245000       2.991000      0.9968000      0.1508000       1.360000
  1 1 1       0   23    6 o    7.509000      0.3952000       6.977000 0.5747000       8.041000      0.5426000      -1.064000      0.7903000
  1 1 1       0   23    7 o    7.739000      0.3505000       7.398000 0.5069000       8.080000      0.4843000     -0.6818000      0.7011000
  1 1 1       0   23    8 o    1.855000      0.5759000       1.765000 0.7987000       1.945000      0.8298000     -0.1804000       1.152000
  1 1 1       0   23    9 o    6.592000      0.3474000       5.997000 0.5252000       7.186000      0.4549000      -1.189000      0.6948000
  1 1 1       0   23   10 o    2.274000      0.5954000       2.122000 0.8636000       2.426000      0.8198000     -0.3041000       1.191000
  1 1 1       0   23   11 o    2.025000      0.5630000       1.685000 0.7566000       2.366000      0.8340000     -0.6809000       1.126000
  1 1 1       0   23   12 o    2.389000      0.5573000       3.233000 0.8718000       1.545000      0.6945000       1.688000       1.115000
  1 1 1       0   23   13 o    1.919000      0.5574000       2.078000 0.8397000       1.761000      0.7333000      0.3169000       1.115000
  1 1 1       0   23   14 o    2.929000      0.7435000       2.521000 0.7972000       3.337000       1.255000     -0.8160000       1.487000
  1 1 1       0   23   15 o    3.283000      0.9160000       3.561000 1.372000       3.004000       1.214000      0.5569000       1.832000
  1 1 1       0   23   16 f    3.359000      0.8497000       3.933000 1.276000       2.785000       1.122000       1.148000       1.699000
  1 1 1       0   23   17 o    2.345000      0.5732000       1.897000 0.8263000       2.794000      0.7946000     -0.8972000       1.146000
  1 1 1       0   23   18 f    1.779000      0.5509000       1.887000 0.8215000       1.671000      0.7343000      0.2159000       1.102000
  1 1 1       0   23   19 o    3.207000      0.6274000       4.376000 0.9860000       2.038000      0.7762000       2.337000       1.255000
  1 1 1       0   23   20 o    5.066000      0.6548000       3.615000 1.163000       6.517000      0.6020000      -2.901000       1.310000
  1 1 1       0   23   21 o    1.613000      0.5585000       1.701000 0.8352000       1.525000      0.7417000      0.1756000       1.117000
  1 1 1       0   23   22 o    7.659000      0.3417000       8.004000 0.4954000       7.314000      0.4709000      0.6905000      0.6835000
  1 1 1       0   23   23 o    3.982000      0.5527000       2.998000 0.9216000       4.965000      0.6103000      -1.966000       1.105000
  1 1 1       0   23   24 o    2.102000      0.6145000       2.335000 0.9158000       1.869000      0.8196000      0.4666000       1.229000
  1 1 1       0   23   25 o    2.427000      0.6667000       2.677000 1.001000       2.177000      0.8806000      0.5008000       1.333000
  1 1 1       0   23   26 o    2.126000      0.6342000       2.524000 0.9955000       1.727000      0.7860000      0.7965000       1.268000
  1 1 1       0   23   27 o    2.525000      0.6699000       2.841000 0.9895000       2.209000      0.9033000      0.6319000       1.340000
  1 1 1       0   23   28 o    2.298000      0.6550000       2.513000 0.9623000       2.082000      0.8888000      0.4312000       1.310000
  1 1 1       0   24    0 o    5.270000      0.7724000       6.409000 1.021000       4.131000       1.159000       2.278000       1.545000
  1 1 1       0   24    1 o    2.963000      0.7832000       3.162000 1.122000       2.765000       1.093000      0.3972000       1.566000
  1 1 1       0   24    2 o    10.59000      0.4431000       9.623000 0.5992000       11.55000      0.6530000      -1.924000      0.8862000
  1 1 1       0   24    3 o    3.145000      0.8389000       2.798000 1.080000       3.492000       1.284000     -0.6943000       1.678000
  1 1 1       0   24    4 o    3.611000      0.7955000       2.744000 1.031000       4.477000       1.212000      -1.732000       1.591000
  1 1 1       0   24    5 o    1.881000      0.5889000       1.476000 0.7006000       2.287000      0.9468000     -0.8108000       1.178000
  1 1 1       0   24    6 o    2.404000      0.6497000       1.575000 0.7575000       3.232000       1.056000      -1.658000       1.299000
  1 1 1       0   24    7 o    5.365000      0.4758000       5.449000 0.6339000       5.281000      0.7098000      0.1679000      0.9517000
  1 1 1       0   24    8 o    3.510000      0.6773000       3.568000 0.9342000       3.451000      0.9808000      0.1168000       1.355000
  1 1 1       0   24    9 o    1.987000      0.5839000       1.781000 0.7939000       2.194000      0.8565000     -0.4123000       1.168000
  1 1 1       0   24   11 o    5.877000       1.079000       4.331000 1.534000       7.424000       1.519000      -3.093000       2.159000
  1 1 1       0   24   12 o    3.951000      0.9009000       5.245000 1.332000       2.658000       1.214000       2.586000       1.802000
  1 1 1       0   24   13 o    2.075000      0.5924000       1.987000 0.8240000       2.163000      0.8514000     -0.1764000       1.185000
  1 1 1       0   24   14 o    6.489000      0.3485000       6.690000 0.5313000       6.287000      0.4512000      0.4026000      0.6971000
  1 1 1       0   24   15 o    3.081000      0.5813000       2.404000 0.9178000       3.758000      0.7138000      -1.353000       1.163000
  1 1 1       0   24   16 o    4.140000      0.5049000       3.855000 0.7911000       4.425000      0.6277000     -0.5708000       1.010000
  1 1 1       0   24   17 o    2.510000      0.6509000       2.221000 0.9775000       2.800000      0.8596000     -0.5785000       1.302000
  1 1 1       0   24   18 o    2.890000      0.6872000       3.613000 1.055000       2.167000      0.8816000       1.446000       1.374000
  1 1 1       0   24   19 o    2.539000      0.9760000       2.539000 0.9760000                  ?              ?              ?              ?
  1 1 1       0   24   20 o    1.642000      0.5274000       1.299000 0.6444000       1.984000      0.8350000     -0.6858000       1.055000
  1 1 1       0   24   21 o    5.450000      0.6103000                  ?       ?   5.450000      0.6103000                  ?              ?
  1 1 1       0   24   22 o    6.612000      0.3954000       7.119000 0.5699000       6.105000      0.5481000       1.014000      0.7907000
  1 1 1       0   24   23 o    1.858000      0.5953000       1.856000 0.8465000       1.859000      0.8371000     -0.2727000E-02   1.191000
  1 1 1       0   24   24 o    2.062000      0.6316000       2.119000 0.9139000       2.006000      0.8721000      0.1132000       1.263000
  1 1 1       0   24   25 o    1.895000      0.6036000       1.803000 0.8507000       1.987000      0.8565000     -0.1845000       1.207000
  1 1 1       0   24   26 o    2.491000      0.6613000       3.143000 1.034000       1.839000      0.8242000       1.305000       1.323000
  1 1 1       0   24   27 o    2.187000       1.006000       2.187000 1.006000                  ?              ?              ?              ?
  1 1 1       0   25    0 o    3.772000      0.8799000       3.579000 1.288000       3.964000       1.199000     -0.3848000       1.760000
  1 1 1       0   25    1 o    3.218000      0.8506000       3.404000 1.217000       3.032000       1.189000      0.3715000       1.701000
  1 1 1       0   25    2 o    3.065000      0.8530000       3.106000 1.138000       3.024000       1.271000      0.8109000E-01   1.706000
  1 1 1       0   25    3 o    2.056000      0.6912000       2.050000 0.9517000       2.062000       1.003000     -0.1236000E-01   1.382000
  1 1 1       0   25    4 o    5.696000      0.5977000       6.864000 0.7135000       4.528000      0.9591000       2.336000       1.195000
  1 1 1       0   25    5 o    7.803000      0.7939000       6.016000 1.090000       9.589000       1.155000      -3.573000       1.588000
  1 1 1       0   25    6 o    2.758000      0.8999000       2.253000 1.055000       3.263000       1.458000      -1.010000       1.800000
  1 1 1       0   25    7 o    3.861000       1.103000       2.969000 1.269000       4.753000       1.804000      -1.785000       2.205000
  1 1 1       0   25    8 o    5.258000       1.052000       3.883000 1.296000       6.633000       1.658000      -2.750000       2.105000
  1 1 1       0   25    9 o    4.872000      0.5129000       4.136000 0.7975000       5.607000      0.6451000      -1.471000       1.026000
  1 1 1       0   25   10 o    9.856000      0.3261000       9.319000 0.4979000       10.39000      0.4212000      -1.072000      0.6522000
  1 1 1       0   25   11 o    5.650000      0.4063000       5.485000 0.6120000       5.814000      0.5346000     -0.3290000      0.8126000
  1 1 1       0   25   12 o    2.074000      0.6096000       2.204000 0.8778000       1.945000      0.8461000      0.2590000       1.219000
  1 1 1       0   25   13 o    2.258000      0.6203000       3.004000 1.018000       1.511000      0.7082000       1.493000       1.241000
  1 1 1       0   25   14 o    5.633000      0.4711000       5.682000 0.7355000       5.585000      0.5889000      0.9646000E-01  0.9422000
  1 1 1       0   25   15 o    3.125000      0.5903000       2.558000 0.9342000       3.692000      0.7218000      -1.135000       1.181000
  1 1 1       0   25   16 o    2.149000      0.6182000       2.006000 0.8770000       2.292000      0.8715000     -0.2855000       1.236000
  1 1 1       0   25   17 f    2.490000      0.6551000       2.513000 0.9789000       2.467000      0.8709000      0.4514000E-01   1.310000
  1 1 1       0   25   18 o    2.570000      0.6659000       2.745000 0.9944000       2.394000      0.8860000      0.3518000       1.332000
  1 1 1       0   25   19 o    5.362000      0.7253000       5.362000 0.7253000                  ?              ?              ?              ?
  1 1 1       0   25   20 f    2.002000      0.6127000       1.835000 0.8442000       2.169000      0.8882000     -0.3342000       1.225000
  1 1 1       0   25   21 o    5.156000      0.6535000                  ?       ?   5.156000      0.6535000                  ?              ?
  1 1 1       0   25   22 o    4.635000      0.6038000       4.572000 0.9493000       4.699000      0.7464000     -0.1276000       1.208000
  1 1 1       0   25   23 o    2.155000      0.6458000       2.000000 0.9093000       2.309000      0.9174000     -0.3094000       1.292000
  1 1 1       0   25   24 o    2.051000      0.6294000       1.787000 0.8415000       2.316000      0.9363000     -0.5287000       1.259000
  1 1 1       0   25   25 o    2.134000      0.6564000       2.182000 0.9473000       2.087000      0.9090000      0.9443000E-01   1.313000
  1 1 1       0   26    0 o    4.373000      0.9876000       4.214000 1.519000       4.533000       1.263000     -0.3188000       1.975000
  1 1 1       0   26    1 f    6.317000      0.8199000       6.880000 1.252000       5.753000       1.058000       1.127000       1.640000
  1 1 1       0   26    2 o    4.994000      0.7008000       5.850000 0.7632000       4.138000       1.175000       1.712000       1.402000
  1 1 1       0   26    3 o    4.652000      0.8491000       4.447000 1.155000       4.858000       1.245000     -0.4115000       1.698000
  1 1 1       0   26    4 o    3.099000      0.8037000       3.067000 1.078000       3.131000       1.192000     -0.6446000E-01   1.607000
  1 1 1       0   26    5 o    1.813000      0.5966000       1.638000 0.7804000       1.988000      0.9025000     -0.3497000       1.193000
  1 1 1       0   26    6 o    2.364000      0.6784000       2.657000 0.9975000       2.072000      0.9197000      0.5843000       1.357000
  1 1 1       0   26    7 o    4.293000      0.7216000       5.020000 0.9728000       3.566000       1.066000       1.454000       1.443000
  1 1 1       0   26    8 o    5.176000      0.5855000       4.217000 0.9425000       6.135000      0.6949000      -1.918000       1.171000
  1 1 1       0   26    9 o    1.872000      0.5928000       2.074000 0.8946000       1.670000      0.7781000      0.4037000       1.186000
  1 1 1       0   26   10 o    2.745000      0.6697000       2.155000 0.9345000       3.334000      0.9594000      -1.178000       1.339000
  1 1 1       0   26   11 o    4.189000      0.5736000       3.001000 0.9289000       5.377000      0.6733000      -2.376000       1.147000
  1 1 1       0   26   12 o    7.540000      0.3475000       7.124000 0.5102000       7.955000      0.4719000     -0.8310000      0.6949000
  1 1 1       0   26   13 o    5.857000      0.4103000       6.162000 0.5846000       5.551000      0.5758000      0.6110000      0.8206000
  1 1 1       0   26   14 o    3.134000      0.6486000       2.951000 0.9684000       3.317000      0.8632000     -0.3661000       1.297000
  1 1 1       0   26   15 o    1.516000      0.5155000       1.634000 0.7770000       1.399000      0.6776000      0.2356000       1.031000
  1 1 1       0   26   16 o    3.712000      0.6232000       3.413000 0.9974000       4.010000      0.7476000     -0.5977000       1.246000
  1 1 1       0   26   17 f    3.405000      0.6540000       3.019000 1.009000       3.792000      0.8327000     -0.7729000       1.308000
  1 1 1       0   26   18 o    2.275000      0.6582000       2.707000 1.021000       1.843000      0.8305000      0.8642000       1.316000
  1 1 1       0   26   19 o    2.888000      0.7062000       3.175000 1.016000       2.601000      0.9816000      0.5738000       1.412000
  1 1 1       0   26   20 o    2.587000      0.6743000       3.280000 1.048000       1.895000      0.8488000       1.385000       1.349000
  1 1 1       0   26   21 f    2.514000      0.6632000       2.010000 0.8952000       3.017000      0.9788000      -1.007000       1.326000
  1 1 1       0   26   22 o    3.652000      0.6981000       3.480000 1.045000       3.824000      0.9262000     -0.3446000       1.396000
  1 1 1       0   26   23 f    2.212000      0.6685000       2.543000 1.028000       1.881000      0.8552000      0.6620000       1.337000
  1 1 1       0   26   24 o    3.242000      0.7394000       3.252000 1.071000       3.232000       1.019000      0.1954000E-01   1.479000
  1 1 1       0   27    0 o    2.221000      0.7040000       1.970000 0.9319000       2.472000       1.055000     -0.5026000       1.408000
  1 1 1       0   27    1 o    3.455000      0.8894000       3.683000 1.424000       3.226000       1.066000      0.4572000       1.779000
  1 1 1       0   27    2 o    3.796000       1.045000       3.341000 1.355000       4.252000       1.591000     -0.9111000       2.090000
  1 1 1       0   27    3 o    3.219000      0.9112000       3.671000 1.311000       2.768000       1.266000      0.9027000       1.822000
  1 1 1       0   27    4 o    2.382000      0.7442000       2.306000 1.013000       2.458000       1.090000     -0.1519000       1.488000
  1 1 1       0   27    5 o    2.392000      0.7269000       2.223000 0.9709000       2.560000       1.082000     -0.3369000       1.454000
  1 1 1       0   27    6 o    2.177000      0.6695000       2.252000 0.9300000       2.103000      0.9633000      0.1485000       1.339000
  1 1 1       0   27    7 f    5.988000      0.5602000       6.628000 0.7643000       5.349000      0.8193000       1.278000       1.120000
  1 1 1       0   27    8 f    2.128000      0.6623000       1.953000 0.8934000       2.303000      0.9780000     -0.3498000       1.325000
  1 1 1       0   27    9 o    3.369000      0.6695000       3.903000 0.9056000       2.835000      0.9863000       1.068000       1.339000
  1 1 1       0   27   10 o    4.271000      0.5771000       3.131000 0.9679000       5.411000      0.6287000      -2.280000       1.154000
  1 1 1       0   27   11 f    7.057000      0.3944000       7.173000 0.5696000       6.940000      0.5455000      0.2330000      0.7887000
  1 1 1       0   27   12 o    6.041000      0.4540000       6.267000 0.6513000       5.815000      0.6327000      0.4525000      0.9080000
  1 1 1       0   27   13 o    2.150000      0.6351000       2.299000 0.9455000       2.000000      0.8483000      0.2987000       1.270000
  1 1 1       0   27   14 o    2.685000      0.6175000       1.987000 0.8717000       3.382000      0.8749000      -1.395000       1.235000
  1 1 1       0   27   15 o    2.795000      0.6666000       3.349000 0.9926000       2.241000      0.8901000       1.108000       1.333000
  1 1 1       0   27   16 o    2.054000      0.6214000       2.002000 0.8872000       2.105000      0.8702000     -0.1033000       1.243000
  1 1 1       0   27   17 o    2.168000      0.6300000       1.818000 0.8424000       2.518000      0.9370000     -0.6997000       1.260000
  1 1 1       0   27   18 o    2.162000      0.6643000       2.276000 0.9739000       2.049000      0.9037000      0.2271000       1.329000
  1 1 1       0   27   19 o    2.127000      0.6550000       2.459000 1.008000       1.795000      0.8364000      0.6635000       1.310000
  1 1 1       0   27   20 o    2.759000      0.6399000       3.969000 1.033000       1.550000      0.7552000       2.419000       1.280000
  1 1 1       0   27   21 o    2.002000      0.6289000       1.909000 0.8752000       2.095000      0.9033000     -0.1857000       1.258000
  1 1 1       0   27   22 o    1.732000      0.5811000       1.912000 0.8905000       1.552000      0.7467000      0.3597000       1.162000
  1 1 1       0   27   23 o    2.584000       1.157000       2.584000 1.157000                  ?              ?              ?              ?
  1 1 1       0   28    0 o    2.977000      0.8063000       2.940000 1.123000       3.014000       1.158000     -0.7375000E-01   1.613000
  1 1 1       0   28    1 o    4.841000      0.7008000       4.595000 1.016000       5.086000      0.9651000     -0.4910000       1.402000
  1 1 1       0   28    2 o    2.126000      0.6740000       1.765000 0.8426000       2.486000       1.052000     -0.7203000       1.348000
  1 1 1       0   28    3 o    3.236000      0.8589000       3.364000 1.159000       3.108000       1.268000      0.2562000       1.718000
  1 1 1       0   28    4 o    2.044000      0.6476000       2.500000 1.030000       1.589000      0.7857000      0.9105000       1.295000
  1 1 1       0   28    5 o    3.059000      0.7523000       2.745000 1.024000       3.373000       1.102000     -0.6281000       1.505000
  1 1 1       0   28    6 o    4.317000      0.7155000       4.577000 0.9213000       4.058000       1.095000      0.5190000       1.431000
  1 1 1       0   28    7 o    4.010000      0.7512000       4.286000 1.000000       3.734000       1.121000      0.5512000       1.502000
  1 1 1       0   28    8 o    2.343000      0.6994000       2.384000 1.006000       2.302000      0.9715000      0.8170000E-01   1.399000
  1 1 1       0   28    9 o    5.095000      0.5283000       4.943000 0.7706000       5.247000      0.7229000     -0.3039000       1.057000
  1 1 1       0   28   10 o    4.612000      0.7710000       3.512000 1.399000       5.712000      0.6475000      -2.200000       1.542000
  1 1 1       0   28   11 o    10.56000      0.3799000       10.32000 0.5590000       10.80000      0.5145000     -0.4757000      0.7597000
  1 1 1       0   28   12 o    4.218000      0.6112000       3.858000 0.9684000       4.579000      0.7458000     -0.7204000       1.222000
  1 1 1       0   28   13 o    2.162000      0.6439000       1.830000 0.8506000       2.494000      0.9668000     -0.6632000       1.288000
  1 1 1       0   28   14 f    3.207000      0.7188000       3.006000 1.062000       3.408000      0.9687000     -0.4012000       1.438000
  1 1 1       0   28   15 o    3.952000      0.6597000       3.493000 1.027000       4.411000      0.8280000     -0.9183000       1.319000
  1 1 1       0   28   16 o    2.554000      0.7113000       2.883000 1.066000       2.225000      0.9424000      0.6580000       1.423000
  1 1 1       0   28   17 o    2.723000      0.7191000       3.036000 1.056000       2.411000      0.9760000      0.6258000       1.438000
  1 1 1       0   28   18 o    2.293000      0.6964000       2.314000 0.9946000       2.271000      0.9751000      0.4341000E-01   1.393000
  1 1 1       0   28   19 o    2.621000      0.7207000       2.930000 1.070000       2.312000      0.9657000      0.6182000       1.441000
  1 1 1       0   28   20 o    2.178000      0.6521000       2.001000 0.9152000       2.356000      0.9290000     -0.3543000       1.304000
  1 1 1       0   28   21 o    2.232000      0.6790000       2.205000 0.9808000       2.260000      0.9393000     -0.5537000E-01   1.358000
  1 1 1       0   29    0 o    3.041000      0.8020000       2.426000 1.044000       3.656000       1.217000      -1.230000       1.604000
  1 1 1       0   29    1 o    2.075000      0.6717000       2.209000 0.9688000       1.941000      0.9306000      0.2677000       1.343000
  1 1 1       0   29    2 o    3.076000      0.7936000       2.574000 1.037000       3.579000       1.202000      -1.005000       1.587000
  1 1 1       0   29    3 o    2.507000      0.7609000       2.417000 1.051000       2.598000       1.100000     -0.1804000       1.522000
  1 1 1       0   29    4 o    3.410000      0.8109000       3.750000 1.136000       3.071000       1.157000      0.6793000       1.622000
  1 1 1       0   29    5 o    2.830000      0.7767000       3.120000 1.121000       2.540000       1.076000      0.5800000       1.553000
  1 1 1       0   29    6 o    3.700000      0.7933000       3.371000 1.127000       4.029000       1.117000     -0.6581000       1.587000
  1 1 1       0   29    7 o    3.241000      0.7836000       3.608000 1.113000       2.874000       1.103000      0.7347000       1.567000
  1 1 1       0   29    8 o    2.741000      0.7385000       3.263000 1.122000       2.219000      0.9609000       1.044000       1.477000
  1 1 1       0   29    9 o    7.590000      0.4919000       7.395000 0.7423000       7.785000      0.6456000     -0.3909000      0.9838000
  1 1 1       0   29   10 o    9.082000      0.4064000       9.436000 0.6380000       8.729000      0.5036000      0.7076000      0.8128000
  1 1 1       0   29   11 f    4.971000      0.5853000       4.537000 0.9164000       5.404000      0.7284000     -0.8672000       1.171000
  1 1 1       0   29   12 o    2.620000      0.6733000       2.039000 0.9149000       3.201000      0.9881000      -1.163000       1.347000
  1 1 1       0   29   13 o    2.251000      0.6788000       2.077000 0.9421000       2.425000      0.9775000     -0.3481000       1.358000
  1 1 1       0   29   14 o    2.616000      0.7161000       2.812000 1.067000       2.420000      0.9556000      0.3915000       1.432000
  1 1 1       0   29   15 o    4.005000      0.7146000       3.835000 1.122000       4.176000      0.8849000     -0.3410000       1.429000
  1 1 1       0   29   16 o    3.039000      0.6847000       3.918000 1.029000       2.159000      0.9038000       1.759000       1.369000
  1 1 1       0   29   17 o    2.766000      0.6779000       3.702000 1.061000       1.830000      0.8437000       1.871000       1.356000
  1 1 1       0   29   18 o    2.945000      0.7270000       3.647000 1.090000       2.244000      0.9619000       1.403000       1.454000
  1 1 1       0   29   19 o    2.707000      0.7279000       2.614000 1.034000       2.800000       1.025000     -0.1860000       1.456000
  1 1 1       0   30    0 o    3.007000      0.8153000       2.217000 1.004000       3.797000       1.285000      -1.580000       1.631000
  1 1 1       0   30    1 o    2.871000      0.8107000       3.192000 1.151000       2.550000       1.142000      0.6418000       1.621000
  1 1 1       0   30    2 f    2.960000      0.7686000       1.796000 0.8645000       4.124000       1.271000      -2.328000       1.537000
  1 1 1       0   30    3 o    2.827000      0.7856000       3.138000 1.114000       2.517000       1.108000      0.6217000       1.571000
  1 1 1       0   30    4 o    3.632000      0.8784000       3.582000 1.178000       3.681000       1.303000     -0.9928000E-01   1.757000
  1 1 1       0   30    5 o    7.867000      0.5220000       8.415000 0.7696000       7.319000      0.7054000       1.096000       1.044000
  1 1 1       0   30    6 o    2.856000      0.7986000       2.762000 1.132000       2.949000       1.127000     -0.1868000       1.597000
  1 1 1       0   30    7 f    2.871000      0.7916000       3.125000 1.167000       2.617000       1.070000      0.5074000       1.583000
  1 1 1       0   30    8 o    4.496000      0.7451000       3.925000 1.185000       5.067000      0.9040000      -1.143000       1.490000
  1 1 1       0   30    9 o    6.883000      0.4912000       6.879000 0.7287000       6.888000      0.6587000     -0.8927000E-02  0.9823000
  1 1 1       0   30   10 o    5.114000      0.7064000       4.842000 1.034000       5.386000      0.9623000     -0.5439000       1.413000
  1 1 1       0   30   11 o    3.526000      0.7868000       3.702000 1.120000       3.351000       1.105000      0.3515000       1.574000
  1 1 1       0   30   12 o    2.183000      0.6834000       2.640000 1.087000       1.725000      0.8281000      0.9153000       1.367000
  1 1 1       0   30   13 o    3.580000      0.8030000       3.766000 1.145000       3.394000       1.126000      0.3721000       1.606000
  1 1 1       0   30   14 o    2.794000      0.7414000       2.202000 0.9958000       3.385000       1.099000      -1.183000       1.483000
  1 1 1       0   30   15 o    2.099000      0.6720000       1.973000 0.9196000       2.226000      0.9801000     -0.2528000       1.344000
  1 1 1       0   30   16 o    2.701000      0.7779000       2.993000 1.158000       2.410000       1.039000      0.5830000       1.556000
  1 1 1       0   30   17 o    5.265000      0.6367000       4.498000 1.007000       6.033000      0.7788000      -1.535000       1.273000
  1 1 1       0   31    0 o    2.828000      0.8115000       2.977000 1.152000       2.680000       1.143000      0.2970000       1.623000
  1 1 1       0   31    1 o    2.963000      0.8228000       2.485000 1.074000       3.441000       1.247000     -0.9565000       1.646000
  1 1 1       0   31    2 o    3.368000      0.8226000       2.880000 1.138000       3.856000       1.188000     -0.9760000       1.645000
  1 1 1       0   31    3 o    2.656000      0.7696000       2.302000 1.012000       3.010000       1.160000     -0.7076000       1.539000
  1 1 1       0   31    4 o    2.740000      0.7625000       2.290000 1.004000       3.189000       1.148000     -0.8995000       1.525000
  1 1 1       0   31    5 o    2.880000      0.7889000       2.879000 1.123000       2.881000       1.109000     -0.1221000E-02   1.578000
  1 1 1       0   31    6 o    3.996000      0.8142000       4.249000 1.150000       3.742000       1.153000      0.5068000       1.628000
  1 1 1       0   31    7 o    2.580000      0.7649000       2.506000 1.072000       2.655000       1.091000     -0.1495000       1.530000
  1 1 1       0   31    8 o    3.050000      0.8174000       3.128000 1.175000       2.973000       1.137000      0.1552000       1.635000
  1 1 1       0   31    9 o    2.645000      0.7709000       2.587000 1.103000       2.703000       1.078000     -0.1164000       1.542000
  1 1 1       0   31   10 o    2.300000      0.7412000       2.541000 1.130000       2.059000      0.9599000      0.4817000       1.482000
  1 1 1       0   31   11 o    4.534000      0.7500000       3.950000 1.152000       5.118000      0.9611000      -1.168000       1.500000
  1 1 1       0   31   12 o    3.761000      0.8144000       3.552000 1.172000       3.970000       1.131000     -0.4173000       1.629000
  1 1 1       0   31   13 o    3.138000      0.7849000       3.659000 1.134000       2.617000       1.085000       1.043000       1.570000
  1 1 1       0   31   14 o    2.901000      0.7833000       2.973000 1.127000       2.829000       1.088000      0.1444000       1.567000
  1 1 1       0   31   15 o    3.814000       1.574000                  ?       ?   3.814000       1.574000                  ?              ?
  1 1 1       0   32    0 o    3.127000      0.8313000       3.072000 1.138000       3.183000       1.212000     -0.1108000       1.663000
  1 1 1       0   32    1 o    4.235000      0.8256000       4.682000 1.045000       3.788000       1.278000      0.8947000       1.651000
  1 1 1       0   32    2 o    2.407000      0.7453000       2.352000 1.030000       2.461000       1.077000     -0.1086000       1.491000
  1 1 1       0   32    3 o    2.952000      0.7805000       2.276000 1.008000       3.628000       1.192000      -1.352000       1.561000
  1 1 1       0   32    4 o    2.612000      0.7547000       2.534000 1.055000       2.689000       1.079000     -0.1549000       1.509000
  1 1 1       0   32    5 o    2.778000      0.7874000       2.314000 1.045000       3.242000       1.178000     -0.9277000       1.575000
  1 1 1       0   32    6 f    3.147000      0.8005000       2.664000 1.115000       3.630000       1.149000     -0.9658000       1.601000
  1 1 1       0   32    7 o    3.150000      0.8142000       2.667000 1.125000       3.633000       1.177000     -0.9662000       1.628000
  1 1 1       0   32    8 o    2.007000      0.6687000       2.221000 1.019000       1.793000      0.8658000      0.4277000       1.337000
  1 1 1       0   32    9 o    3.026000      0.8259000       3.164000 1.192000       2.888000       1.144000      0.2758000       1.652000
  1 1 1       0   32   10 o    3.758000      0.8123000       3.380000 1.187000       4.135000       1.109000     -0.7547000       1.625000
  1 1 1       0   32   11 o    3.187000      0.8635000       2.868000 1.203000       3.507000       1.239000     -0.6389000       1.727000
  1 1 1       0   33    0 o    2.011000      0.6627000       2.094000 0.9587000       1.927000      0.9151000      0.1670000       1.325000
  1 1 1       0   33    1 o    3.020000      0.7402000       4.114000 1.162000       1.925000      0.9180000       2.190000       1.480000
  1 1 1       0   33    2 o    4.556000      0.7787000       4.244000 1.116000       4.867000       1.086000     -0.6238000       1.557000
  1 1 1       0   33    3 f    4.182000      0.7430000       2.817000 1.113000       5.547000      0.9848000      -2.730000       1.486000
  1 1 1       0   33    4 f    3.924000      0.7745000       4.441000 1.043000       3.406000       1.145000       1.034000       1.549000
  1 1 1       0   33    5 o    2.251000      0.7282000       2.183000 0.9989000       2.319000       1.060000     -0.1359000       1.456000
  1 1 1       0   33    6 f    2.300000      0.7293000       2.523000 1.096000       2.077000      0.9625000      0.4453000       1.459000
  1 1 1       0   33    7 o    2.699000      0.7786000       3.017000 1.035000       2.381000       1.163000      0.6352000       1.557000
  1 1 1       1  -33    0 o    2.581000      0.7594000       2.965000 1.148000       2.196000      0.9947000      0.7690000       1.519000
  1 1 1       1  -33    1 o    2.804000      0.8068000       2.825000 1.159000       2.783000       1.123000      0.4192000E-01   1.614000
  1 1 1       1  -33    2 o    2.895000      0.8635000       3.766000 1.449000       2.025000      0.9400000       1.741000       1.727000
  1 1 1       1  -33    3 o    3.472000       1.394000       3.472000 1.394000                  ?              ?              ?              ?
  1 1 1       1  -32    0 o    3.156000      0.8358000       3.628000 1.252000       2.683000       1.108000      0.9457000       1.672000
  1 1 1       1  -32    1 o    2.263000      0.7187000       2.426000 1.069000       2.100000      0.9614000      0.3264000       1.437000
  1 1 1       1  -32    2 o    2.658000      0.7785000       2.983000 1.192000       2.333000       1.002000      0.6498000       1.557000
  1 1 1       1  -32    3 o    3.020000      0.7830000       3.578000 1.189000       2.461000       1.019000       1.117000       1.566000
  1 1 1       1  -32    4 f    2.668000      0.7883000       2.885000 1.166000       2.450000       1.061000      0.4350000       1.577000
  1 1 1       1  -32    5 o    2.703000      0.7766000       2.462000 1.071000       2.944000       1.125000     -0.4815000       1.553000
  1 1 1       1  -32    6 o    2.470000      0.7374000       3.042000 1.175000       1.899000      0.8911000       1.142000       1.475000
  1 1 1       1  -32    7 o    2.936000      0.7871000       2.752000 1.143000       3.121000       1.082000     -0.3683000       1.574000
  1 1 1       1  -32    8 o    2.769000      0.7656000       2.533000 1.090000       3.005000       1.075000     -0.4723000       1.531000
  1 1 1       1  -32    9 o    2.902000      0.7577000       2.781000 1.126000       3.023000       1.014000     -0.2424000       1.515000
  1 1 1       1  -31    0 o    3.588000      0.8611000       3.422000 1.266000       3.753000       1.168000     -0.3312000       1.722000
  1 1 1       1  -31    1 f    3.389000      0.8202000       4.379000 1.257000       2.399000       1.054000       1.980000       1.640000
  1 1 1       1  -31    2 o    2.641000      0.7862000       2.396000 1.096000       2.885000       1.127000     -0.4896000       1.572000
  1 1 1       1  -31    3 o    3.168000      0.7925000       2.788000 1.154000       3.548000       1.086000     -0.7603000       1.585000
  1 1 1       1  -31    4 o    3.459000      0.8245000       3.573000 1.208000       3.346000       1.123000      0.2271000       1.649000
  1 1 1       1  -31    5 o    2.346000      0.7201000       2.676000 1.105000       2.016000      0.9234000      0.6600000       1.440000
  1 1 1       1  -31    6 o    4.007000      0.7972000       4.165000 1.184000       3.849000       1.068000      0.3160000       1.594000
  1 1 1       1  -31    7 o    5.609000      0.6398000       5.144000 1.029000       6.075000      0.7600000     -0.9310000       1.280000
  1 1 1       1  -31    8 o    2.648000      0.7413000       2.365000 1.035000       2.932000       1.062000     -0.5669000       1.483000
  1 1 1       1  -31    9 o    2.569000      0.7400000       2.651000 1.117000       2.488000      0.9714000      0.1628000       1.480000
  1 1 1       1  -31   10 o    2.110000      0.6738000       2.255000 1.014000       1.966000      0.8881000      0.2890000       1.348000
  1 1 1       1  -31   11 o    2.336000      0.7180000       2.317000 1.039000       2.356000      0.9917000     -0.3910000E-01   1.436000
  1 1 1       1  -31   12 f    2.325000      0.7117000       2.440000 1.068000       2.210000      0.9411000      0.2296000       1.423000
  1 1 1       1  -31   13 o    2.774000      0.7671000       3.300000 1.180000       2.248000      0.9800000       1.053000       1.534000
  1 1 1       1  -30    0 o    3.355000      0.8377000       3.042000 1.202000       3.668000       1.167000     -0.6265000       1.675000
  1 1 1       1  -30    1 o    3.513000      0.8498000       3.268000 1.223000       3.758000       1.181000     -0.4894000       1.700000
  1 1 1       1  -30    2 o    2.704000      0.7903000       2.777000 1.155000       2.631000       1.079000      0.1463000       1.581000
  1 1 1       1  -30    3 o    2.873000      0.8150000       2.949000 1.185000       2.797000       1.119000      0.1524000       1.630000
  1 1 1       1  -30    4 o    2.310000      0.7264000       2.019000 0.9584000       2.601000       1.092000     -0.5820000       1.453000
  1 1 1       1  -30    5 o    2.959000      0.8064000       3.366000 1.174000       2.553000       1.106000      0.8135000       1.613000
  1 1 1       1  -30    6 o    3.945000       1.173000       3.945000 1.173000                  ?              ?              ?              ?
  1 1 1       1  -30    7 o    2.633000      0.7354000       3.286000 1.156000       1.980000      0.9092000       1.306000       1.471000
  1 1 1       1  -30    8 o    3.219000       1.067000                  ?       ?   3.219000       1.067000                  ?              ?
  1 1 1       1  -30    9 o    5.458000      0.6068000       5.352000 0.9439000       5.563000      0.7628000     -0.2110000       1.214000
  1 1 1       1  -30   10 o    3.590000      0.7367000       3.343000 1.094000       3.836000      0.9871000     -0.4932000       1.473000
  1 1 1       1  -30   11 o    3.152000      0.7683000       2.929000 1.122000       3.376000       1.049000     -0.4469000       1.537000
  1 1 1       1  -30   12 o    3.642000      0.7275000       3.538000 1.158000       3.747000      0.8804000     -0.2088000       1.455000
  1 1 1       1  -30   13 o    2.662000      0.7593000       2.832000 1.162000       2.491000      0.9782000      0.3416000       1.519000
  1 1 1       1  -30   14 o    2.052000      0.6519000       2.284000 0.9986000       1.821000      0.8383000      0.4632000       1.304000
  1 1 1       1  -30   15 o    3.205000      0.7441000       4.281000 1.144000       2.128000      0.9520000       2.153000       1.488000
  1 1 1       1  -29    0 o    3.257000      0.8300000       2.752000 1.176000       3.762000       1.171000      -1.009000       1.660000
  1 1 1       1  -29    1 f    2.409000      0.7660000       2.630000 1.161000       2.187000      0.9992000      0.4429000       1.532000
  1 1 1       1  -29    2 o    2.830000      0.8135000       3.445000 1.281000       2.214000       1.003000       1.231000       1.627000
  1 1 1       1  -29    3 o    3.687000      0.8107000       3.424000 1.180000       3.951000       1.112000     -0.5271000       1.621000
  1 1 1       1  -29    4 o    3.547000      0.7960000       3.732000 1.156000       3.363000       1.094000      0.3694000       1.592000
  1 1 1       1  -29    5 o    4.526000      0.7352000       5.234000 0.9368000       3.818000       1.133000       1.416000       1.470000
  1 1 1       1  -29    6 o    3.049000      0.7571000       3.218000 1.124000       2.879000       1.015000      0.3386000       1.514000
  1 1 1       1  -29    7 o    3.037000      0.7547000       2.975000 1.059000       3.099000       1.076000     -0.1244000       1.509000
  1 1 1       1  -29    9 o    2.666000      0.7254000       2.798000 1.084000       2.533000      0.9641000      0.2646000       1.451000
  1 1 1       1  -29   10 o    4.068000      0.6727000       4.518000 0.9145000       3.618000      0.9868000      0.8998000       1.345000
  1 1 1       1  -29   11 o    3.098000      0.7058000       2.774000 1.057000       3.423000      0.9359000     -0.6491000       1.412000
  1 1 1       1  -29   12 o    2.491000      0.7116000       2.545000 1.054000       2.437000      0.9559000      0.1082000       1.423000
  1 1 1       1  -29   13 o    3.529000      0.6820000       2.914000 1.111000       4.145000      0.7919000      -1.230000       1.364000
  1 1 1       1  -29   14 o    4.157000      0.7789000       4.142000 1.243000       4.172000      0.9384000     -0.2988000E-01   1.558000
  1 1 1       1  -29   15 o    2.281000      0.6386000       1.739000 0.8370000       2.822000      0.9647000      -1.082000       1.277000
  1 1 1       1  -29   16 o    4.562000      0.6664000       4.068000 1.103000       5.057000      0.7478000     -0.9889000       1.333000
  1 1 1       1  -29   17 o    2.496000      0.6842000       1.962000 0.9206000       3.030000       1.012000      -1.068000       1.368000
  1 1 1       1  -29   18 o    3.126000      0.8378000       3.575000 1.320000       2.677000       1.032000      0.8979000       1.676000
  1 1 1       1  -28    0 o    2.005000      0.6563000       2.160000 0.9868000       1.850000      0.8656000      0.3101000       1.313000
  1 1 1       1  -28    1 o    3.401000      0.7537000       4.381000 1.107000       2.421000       1.023000       1.960000       1.507000
  1 1 1       1  -28    2 o    2.986000      0.7588000       2.447000 1.065000       3.525000       1.081000      -1.078000       1.518000
  1 1 1       1  -28    3 o    2.307000      0.6820000       1.756000 0.8452000       2.857000       1.071000      -1.101000       1.364000
  1 1 1       1  -28    4 o    2.314000      0.6823000       2.358000 0.9721000       2.271000      0.9577000      0.8684000E-01   1.365000
  1 1 1       1  -28    5 o    2.651000      0.7274000       2.698000 1.025000       2.604000       1.032000      0.9409000E-01   1.455000
  1 1 1       1  -28    6 o    1.495000      0.5205000       1.512000 0.7421000       1.477000      0.7301000      0.3430000E-01   1.041000
  1 1 1       1  -28    7 o    1.786000      0.5636000       2.110000 0.8760000       1.462000      0.7093000      0.6486000       1.127000
  1 1 1       1  -28    8 o    2.163000      0.6289000       1.762000 0.8067000       2.563000      0.9652000     -0.8014000       1.258000
  1 1 1       1  -28    9 o    2.688000      0.8358000       3.481000 1.462000       1.895000      0.8098000       1.586000       1.672000
  1 1 1       1  -28   10 o    3.456000      0.7411000       2.708000 1.264000       4.204000      0.7739000      -1.496000       1.482000
  1 1 1       1  -28   11 o    3.821000      0.8721000       4.084000 1.549000       3.558000      0.8021000      0.5261000       1.744000
  1 1 1       1  -28   12 o    2.516000      0.7244000       2.314000 1.123000       2.717000      0.9158000     -0.4023000       1.449000
  1 1 1       1  -28   13 o    4.725000      0.6945000                  ?       ?   4.725000      0.6945000                  ?              ?
  1 1 1       1  -28   14 f    3.551000      0.6353000       2.699000 1.036000       4.403000      0.7361000      -1.704000       1.271000
  1 1 1       1  -28   15 o    4.398000      0.6578000       4.083000 1.034000       4.713000      0.8127000     -0.6297000       1.316000
  1 1 1       1  -28   16 o    2.312000      0.6871000       2.445000 1.040000       2.179000      0.8981000      0.2659000       1.374000
  1 1 1       1  -28   17 o    2.092000      0.6392000       1.949000 0.9018000       2.236000      0.9063000     -0.2869000       1.278000
  1 1 1       1  -28   18 o    2.351000      0.6773000       2.044000 0.9401000       2.657000      0.9754000     -0.6130000       1.355000
  1 1 1       1  -28   19 o    2.304000      0.6874000       2.436000 1.006000       2.171000      0.9372000      0.2650000       1.375000
  1 1 1       1  -28   20 o    2.267000      0.7067000       2.150000 1.015000       2.385000      0.9838000     -0.2352000       1.413000
  1 1 1       1  -27    0 o    3.521000      0.9658000       3.379000 1.362000       3.664000       1.370000     -0.2844000       1.932000
  1 1 1       1  -27    1 o    3.703000      0.9920000       3.812000 1.424000       3.595000       1.382000      0.2162000       1.984000
  1 1 1       1  -27    2 o    4.001000      0.9740000       2.955000 1.314000       5.046000       1.438000      -2.091000       1.948000
  1 1 1       1  -27    3 o    4.264000      0.9125000       3.786000 0.8829000       4.743000       1.597000     -0.9569000       1.825000
  1 1 1       1  -27    4 o    2.716000      0.7201000       2.714000 1.019000       2.718000       1.018000     -0.4721000E-02   1.440000
  1 1 1       1  -27    5 f    2.757000      0.7075000       2.970000 0.9964000       2.544000       1.005000      0.4254000       1.415000
  1 1 1       1  -27    6 o    1.715000      0.5721000       1.807000 0.8324000       1.623000      0.7849000      0.1834000       1.144000
  1 1 1       1  -27    7 o    7.641000      0.3762000       8.280000 0.5478000       7.002000      0.5159000       1.278000      0.7525000
  1 1 1       1  -27    8 o    8.505000      0.3647000       9.053000 0.5310000       7.957000      0.5000000       1.096000      0.7294000
  1 1 1       1  -27    9 o    5.213000      0.4659000       4.259000 0.7800000       6.168000      0.5099000      -1.909000      0.9319000
  1 1 1       1  -27   10 o    4.058000      0.5650000       3.504000 0.9105000       4.611000      0.6693000      -1.107000       1.130000
  1 1 1       1  -27   11 o    3.327000      0.6457000       3.313000 0.9571000       3.341000      0.8671000     -0.2785000E-01   1.291000
  1 1 1       1  -27   12 o    4.347000      0.5376000       4.144000 0.8673000       4.550000      0.6355000     -0.4055000       1.075000
  1 1 1       1  -27   13 o    2.907000      0.6403000       2.486000 0.9542000       3.329000      0.8541000     -0.8434000       1.281000
  1 1 1       1  -27   14 o    2.286000      0.6480000       2.093000 0.9173000       2.480000      0.9155000     -0.3866000       1.296000
  1 1 1       1  -27   15 o    3.126000      0.6924000       3.258000 1.051000       2.994000      0.9018000      0.2642000       1.385000
  1 1 1       1  -27   16 o    2.269000      0.6503000       2.831000 1.040000       1.707000      0.7810000       1.124000       1.301000
  1 1 1       1  -27   17 o    2.507000      0.6900000       2.465000 1.028000       2.550000      0.9206000     -0.8576000E-01   1.380000
  1 1 1       1  -27   18 o    2.897000      0.8094000       2.341000 0.9725000       3.453000       1.294000      -1.112000       1.619000
  1 1 1       1  -27   19 o    3.299000      0.8071000       3.928000 1.158000       2.671000       1.125000       1.257000       1.614000
  1 1 1       1  -27   20 f    3.220000      0.8301000       2.860000 1.128000       3.580000       1.219000     -0.7200000       1.660000
  1 1 1       1  -27   21 o    5.354000      0.6868000       4.457000 1.055000       6.251000      0.8803000      -1.793000       1.374000
  1 1 1       1  -26    0 o    2.263000      0.7251000       2.037000 0.9551000       2.489000       1.091000     -0.4520000       1.450000
  1 1 1       1  -26    1 o    2.277000      0.7007000       2.596000 1.062000       1.958000      0.9142000      0.6373000       1.401000
  1 1 1       1  -26    2 o    2.720000      0.8421000       2.341000 1.059000       3.100000       1.310000     -0.7588000       1.684000
  1 1 1       1  -26    3 o    3.308000      0.8233000       3.293000 1.142000       3.324000       1.187000     -0.3103000E-01   1.647000
  1 1 1       1  -26    4 o    2.269000      0.6735000       2.642000 1.014000       1.896000      0.8863000      0.7455000       1.347000
  1 1 1       1  -26    5 o    2.574000      0.6500000       3.307000 0.9873000       1.841000      0.8456000       1.466000       1.300000
  1 1 1       1  -26    6 o    3.177000      0.6872000       3.843000 0.9435000       2.511000      0.9993000       1.332000       1.374000
  1 1 1       1  -26    7 o    7.834000      0.5156000       7.834000 0.5156000                  ?              ?              ?              ?
  1 1 1       1  -26    8 o    2.376000      0.6404000       2.621000 0.9569000       2.130000      0.8515000      0.4910000       1.281000
  1 1 1       1  -26    9 o    7.000000      0.4625000                  ?       ?   7.000000      0.4625000                  ?              ?
  1 1 1       1  -26   10 o    7.575000      0.3190000       7.534000 0.4776000       7.616000      0.4229000     -0.8180000E-01  0.6379000
  1 1 1       1  -26   11 o    3.512000      0.6054000       3.696000 0.9153000       3.328000      0.7925000      0.3680000       1.211000
  1 1 1       1  -26   12 o    3.061000      0.6107000       4.142000 0.9249000       1.980000      0.7976000       2.162000       1.221000
  1 1 1       1  -26   13 o    4.607000      0.5141000       4.748000 0.8141000       4.466000      0.6280000      0.2814000       1.028000
  1 1 1       1  -26   14 o    2.628000      0.6641000       3.025000 1.043000       2.230000      0.8221000      0.7949000       1.328000
  1 1 1       1  -26   15 f    2.720000      0.6687000       2.789000 1.024000       2.651000      0.8606000      0.1380000       1.337000
  1 1 1       1  -26   16 o    2.295000      0.6505000       2.191000 0.9688000       2.398000      0.8684000     -0.2067000       1.301000
  1 1 1       1  -26   17 o    4.832000      0.6293000       4.355000 1.064000       5.309000      0.6728000     -0.9539000       1.259000
  1 1 1       1  -26   18 o    2.752000      0.7473000       2.770000 1.135000       2.734000      0.9722000      0.3605000E-01   1.495000
  1 1 1       1  -26   19 o    2.166000      0.5992000       1.736000 0.8031000       2.596000      0.8894000     -0.8597000       1.198000
  1 1 1       1  -26   20 o    2.374000      0.6705000       2.543000 0.9947000       2.205000      0.8994000      0.3385000       1.341000
  1 1 1       1  -26   21 o    3.364000      0.6678000       3.772000 0.9393000       2.956000      0.9495000      0.8164000       1.336000
  1 1 1       1  -26   22 o    4.123000      0.5585000       4.330000 0.8006000       3.916000      0.7791000      0.4144000       1.117000
  1 1 1       1  -26   23 o    4.247000      0.5597000       4.063000 0.8406000       4.431000      0.7393000     -0.3683000       1.119000
  1 1 1       1  -25    0 o    2.520000      0.7692000       2.312000 1.054000       2.728000       1.121000     -0.4159000       1.538000
  1 1 1       1  -25    1 o    5.796000      0.7384000       4.297000 1.185000       7.295000      0.8810000      -2.998000       1.477000
  1 1 1       1  -25    2 o    5.796000      0.7217000       5.707000 0.9095000       5.885000       1.121000     -0.1776000       1.443000
  1 1 1       1  -25    3 o    3.482000      0.7708000       2.273000 0.9865000       4.690000       1.185000      -2.417000       1.542000
  1 1 1       1  -25    4 o    3.188000      0.6963000       2.644000 0.9595000       3.732000       1.009000      -1.088000       1.393000
  1 1 1       1  -25    5 o    4.051000      0.6258000       4.729000 0.7142000       3.373000       1.028000       1.356000       1.252000
  1 1 1       1  -25    6 o    4.016000      0.6250000       3.959000 0.8300000       4.073000      0.9348000     -0.1143000       1.250000
  1 1 1       1  -25    7 o    6.733000      0.3294000       7.555000 0.4967000       5.911000      0.4328000       1.645000      0.6588000
  1 1 1       1  -25    8 o    4.028000      0.5028000       3.283000 0.8287000       4.772000      0.5697000      -1.488000       1.006000
  1 1 1       1  -25    9 o    5.359000      0.3607000       4.605000 0.5526000       6.114000      0.4635000      -1.509000      0.7213000
  1 1 1       1  -25   10 o    8.448000      0.3009000       8.345000 0.4534000       8.550000      0.3958000     -0.2056000      0.6019000
  1 1 1       1  -25   11 o    7.667000      0.3167000       7.581000 0.4952000       7.753000      0.3948000     -0.1715000      0.6333000
  1 1 1       1  -25   12 o    2.539000      0.5841000       2.566000 0.8899000       2.513000      0.7568000      0.5346000E-01   1.168000
  1 1 1       1  -25   13 o    4.093000      0.4482000       4.332000 0.6928000       3.854000      0.5689000      0.4774000      0.8964000
  1 1 1       1  -25   14 o    2.597000      0.5139000       1.804000 0.8140000       3.391000      0.6274000      -1.587000       1.028000
  1 1 1       1  -25   15 o    3.338000      0.5500000       3.744000 0.8432000       2.932000      0.7063000      0.8125000       1.100000
  1 1 1       1  -25   16 o    2.857000      0.5891000       2.920000 0.9287000       2.794000      0.7250000      0.1263000       1.178000
  1 1 1       1  -25   17 o    4.267000      0.4813000       3.657000 0.8120000       4.878000      0.5170000      -1.220000      0.9626000
  1 1 1       1  -25   18 o    2.816000      0.6175000       2.937000 0.9324000       2.695000      0.8100000      0.2419000       1.235000
  1 1 1       1  -25   19 o    5.805000      0.3906000       5.569000 0.6272000       6.041000      0.4659000     -0.4725000      0.7813000
  1 1 1       1  -25   20 o    2.247000      0.6307000       2.543000 0.9633000       1.952000      0.8143000      0.5905000       1.261000
  1 1 1       1  -25   21 o    3.427000      0.7654000       4.200000 1.293000       2.653000      0.8188000       1.548000       1.531000
  1 1 1       1  -25   22 o    3.312000      0.7980000       4.021000 1.253000       2.603000      0.9885000       1.418000       1.596000
  1 1 1       1  -25   23 o    2.982000      0.8012000       3.427000 1.251000       2.538000       1.001000      0.8889000       1.602000
  1 1 1       1  -25   24 o    2.583000      0.7708000       2.996000 1.211000       2.169000      0.9536000      0.8270000       1.542000
  1 1 1       1  -24    0 o    7.619000      0.5243000       8.033000 0.7396000       7.206000      0.7432000      0.8271000       1.049000
  1 1 1       1  -24    1 o    6.170000      0.6713000       7.306000 0.7238000       5.035000       1.131000       2.271000       1.343000
  1 1 1       1  -24    2 o    3.805000      0.9009000       3.709000 1.205000       3.900000       1.339000     -0.1916000       1.802000
  1 1 1       1  -24    3 o    3.312000      0.8033000       3.321000 1.074000       3.303000       1.195000      0.1785000E-01   1.607000
  1 1 1       1  -24    4 o    7.985000      0.3708000       8.024000 0.4950000       7.945000      0.5521000      0.7847000E-01  0.7415000
  1 1 1       1  -24    5 o    7.881000      0.3577000       7.630000 0.5053000       8.133000      0.5064000     -0.5027000      0.7154000
  1 1 1       1  -24    6 o    4.900000      0.4954000       4.682000 0.6758000       5.118000      0.7247000     -0.4365000      0.9909000
  1 1 1       1  -24    7 o    7.082000      0.3219000       7.361000 0.4406000       6.803000      0.4693000      0.5576000      0.6437000
  1 1 1       1  -24    8 o    6.005000      0.2988000       5.807000 0.4327000       6.202000      0.4121000     -0.3950000      0.5975000
  1 1 1       1  -24    9 o    6.896000      0.3038000       6.338000 0.4778000       7.453000      0.3753000      -1.115000      0.6075000
  1 1 1       1  -24   10 o    2.462000      0.5080000       1.659000 0.7371000       3.266000      0.6991000      -1.607000       1.016000
  1 1 1       1  -24   11 o    2.919000      0.5064000       3.793000 0.7318000       2.046000      0.7001000       1.747000       1.013000
  1 1 1       1  -24   12 o    6.909000      0.2937000       6.636000 0.4754000       7.183000      0.3449000     -0.5465000      0.5873000
  1 1 1       1  -24   13 o    2.570000      0.5737000       2.529000 0.8875000       2.611000      0.7271000     -0.8234000E-01   1.147000
  1 1 1       1  -24   14 o    2.525000      0.5905000       2.482000 0.9131000       2.568000      0.7489000     -0.8541000E-01   1.181000
  1 1 1       1  -24   15 o    3.048000      0.5347000       2.590000 0.9140000       3.507000      0.5552000     -0.9173000       1.069000
  1 1 1       1  -24   16 o    1.545000      0.4872000       1.748000 0.7634000       1.343000      0.6055000      0.4054000      0.9744000
  1 1 1       1  -24   17 o    2.866000      0.5530000       2.729000 0.8465000       3.003000      0.7119000     -0.2737000       1.106000
  1 1 1       1  -24   18 o    2.615000      0.5904000       2.869000 0.8632000       2.360000      0.8056000      0.5088000       1.181000
  1 1 1       1  -24   19 o    4.653000      0.4178000       4.621000 0.6350000       4.685000      0.5433000     -0.6457000E-01  0.8357000
  1 1 1       1  -24   20 o    2.721000      0.6170000       2.796000 0.8887000       2.645000      0.8561000      0.1501000       1.234000
  1 1 1       1  -24   21 o    2.091000      0.5945000       2.130000 0.8652000       2.052000      0.8155000      0.7772000E-01   1.189000
  1 1 1       1  -24   22 o    2.835000      0.6296000       3.225000 0.9087000       2.445000      0.8716000      0.7796000       1.259000
  1 1 1       1  -24   23 o    3.263000      0.5848000       2.686000 0.9067000       3.841000      0.7389000      -1.155000       1.170000
  1 1 1       1  -24   24 f    2.492000      0.6347000       2.633000 0.9117000       2.351000      0.8832000      0.2822000       1.269000
  1 1 1       1  -24   25 o    3.098000      0.6529000       3.247000 0.9226000       2.950000      0.9241000      0.2966000       1.306000
  1 1 1       1  -24   26 o    2.118000      0.6890000       2.027000 0.9666000       2.209000      0.9820000     -0.1818000       1.378000
  1 1 1       1  -23    0 o    2.907000      0.7997000       3.376000 1.191000       2.438000       1.067000      0.9378000       1.599000
  1 1 1       1  -23    1 o    2.867000      0.7762000       3.286000 1.124000       2.447000       1.071000      0.8389000       1.552000
  1 1 1       1  -23    2 o    5.470000      0.6953000       6.255000 0.7473000       4.684000       1.173000       1.572000       1.391000
  1 1 1       1  -23    3 o    5.992000      0.6007000       6.454000 0.7073000       5.530000      0.9711000      0.9240000       1.201000
  1 1 1       1  -23    4 o    4.269000      0.5877000       3.368000 0.9364000       5.171000      0.7106000      -1.803000       1.175000
  1 1 1       1  -23    5 o    4.763000      0.4855000       5.588000 0.5346000       3.938000      0.8104000       1.650000      0.9709000
  1 1 1       1  -23    6 o    2.169000      0.5915000       2.341000 0.8417000       1.996000      0.8311000      0.3453000       1.183000
  1 1 1       1  -23    7 o    3.961000      0.4413000       3.695000 0.6726000       4.226000      0.5715000     -0.5308000      0.8826000
  1 1 1       1  -23    8 o    2.054000      0.5281000       2.174000 0.7606000       1.934000      0.7327000      0.2399000       1.056000
  1 1 1       1  -23    9 o    8.314000      0.2637000       8.147000 0.3873000       8.481000      0.3578000     -0.3337000      0.5273000
  1 1 1       1  -23   10 o    5.830000      0.2876000       5.166000 0.4343000       6.495000      0.3772000      -1.329000      0.5753000
  1 1 1       1  -23   11 o    5.278000      0.3321000       5.304000 0.5292000       5.251000      0.4013000      0.5274000E-01  0.6642000
  1 1 1       1  -23   12 o    7.122000      0.2829000       6.936000 0.4546000       7.308000      0.3369000     -0.3722000      0.5658000
  1 1 1       1  -23   13 o    7.258000      0.2820000       7.122000 0.4481000       7.393000      0.3426000     -0.2711000      0.5641000
  1 1 1       1  -23   14 o    1.877000      0.5311000       1.985000 0.8224000       1.769000      0.6723000      0.2156000       1.062000
  1 1 1       1  -23   15 o    1.869000      0.5201000       1.959000 0.7895000       1.778000      0.6773000      0.1804000       1.040000
  1 1 1       1  -23   16 o    5.501000      0.3142000       5.191000 0.5231000       5.811000      0.3484000     -0.6202000      0.6285000
  1 1 1       1  -23   17 o    4.959000      0.3538000       4.971000 0.5566000       4.947000      0.4369000      0.2350000E-01  0.7075000
  1 1 1       1  -23   18 o    6.002000      0.3046000       6.198000 0.4529000       5.806000      0.4074000      0.3920000      0.6092000
  1 1 1       1  -23   19 o    1.946000      0.5371000       2.137000 0.8009000       1.756000      0.7160000      0.3811000       1.074000
  1 1 1       1  -23   20 f    7.265000      0.2649000       7.155000 0.3920000       7.375000      0.3564000     -0.2204000      0.5298000
  1 1 1       1  -23   21 o    5.447000      0.3280000       5.501000 0.5067000       5.393000      0.4168000      0.1075000      0.6561000
  1 1 1       1  -23   22 o    2.379000      0.5949000       2.414000 0.8614000       2.345000      0.8208000      0.6856000E-01   1.190000
  1 1 1       1  -23   23 o    2.174000      0.5831000       1.841000 0.8035000       2.508000      0.8452000     -0.6675000       1.166000
  1 1 1       1  -23   24 o    7.842000      0.4731000       6.957000 0.8584000       8.728000      0.3980000      -1.772000      0.9462000
  1 1 1       1  -23   25 f    2.992000      0.6164000       3.509000 0.8381000       2.476000      0.9041000       1.033000       1.233000
  1 1 1       1  -23   26 o    2.738000      0.6271000       2.461000 0.8767000       3.016000      0.8970000     -0.5547000       1.254000
  1 1 1       1  -23   27 o    2.324000      0.6356000       2.492000 0.9180000       2.155000      0.8792000      0.3365000       1.271000
  1 1 1       1  -22    0 o    4.394000      0.8498000       3.453000 1.446000       5.334000      0.8938000      -1.881000       1.700000
  1 1 1       1  -22    1 o    7.872000      0.4817000       8.524000 0.5988000       7.219000      0.7546000       1.305000      0.9633000
  1 1 1       1  -22    2 o    9.253000      0.4365000       9.009000 0.5887000       9.498000      0.6446000     -0.4888000      0.8729000
  1 1 1       1  -22    3 o    3.067000      0.7831000       2.816000 1.039000       3.319000       1.172000     -0.5028000       1.566000
  1 1 1       1  -22    4 o    2.170000      0.6201000       1.847000 0.8061000       2.494000      0.9425000     -0.6475000       1.240000
  1 1 1       1  -22    5 o    3.204000      0.6092000       2.700000 0.8494000       3.709000      0.8736000      -1.008000       1.218000
  1 1 1       1  -22    6 o    10.37000      0.3027000       10.16000 0.4070000       10.57000      0.4480000     -0.4126000      0.6053000
  1 1 1       1  -22    7 o    1.698000      0.5158000       1.706000 0.7349000       1.689000      0.7240000      0.1761000E-01   1.032000
  1 1 1       1  -22    8 o    6.756000      0.4146000       6.756000 0.4146000                  ?              ?              ?              ?
  1 1 1       1  -22    9 o    2.514000      0.5079000       2.035000 0.7671000       2.992000      0.6660000     -0.9571000       1.016000
  1 1 1       1  -22   10 o    1.230000      0.5618000                  ?       ?   1.230000      0.5618000                  ?              ?
  1 1 1       1  -22   11 o    5.249000      0.3036000       5.370000 0.4863000       5.128000      0.3635000      0.2420000      0.6072000
  1 1 1       1  -22   12 f    9.940000      0.2510000       9.675000 0.3859000       10.20000      0.3209000     -0.5300000      0.5019000
  1 1 1       1  -22   13 o    8.042000      0.2519000       7.879000 0.3948000       8.206000      0.3128000     -0.3272000      0.5037000
  1 1 1       1  -22   14 o    1.617000      0.4818000       1.831000 0.7479000       1.404000      0.6076000      0.4272000      0.9636000
  1 1 1       1  -22   15 o    3.758000      0.3975000       4.244000 0.5853000       3.272000      0.5378000      0.9720000      0.7949000
  1 1 1       1  -22   16 o    5.855000      0.2798000       5.660000 0.4528000       6.050000      0.3287000     -0.3892000      0.5596000
  1 1 1       1  -22   17 o    3.123000      0.4773000       2.663000 0.8000000       3.584000      0.5208000     -0.9207000      0.9546000
  1 1 1       1  -22   18 o    7.862000      0.2367000       7.292000 0.3638000       8.432000      0.3029000      -1.140000      0.4734000
  1 1 1       1  -22   19 o    1.582000      0.4837000       1.663000 0.7110000       1.500000      0.6562000      0.1638000      0.9675000
  1 1 1       1  -22   20 o    6.371000      0.2651000       5.993000 0.3999000       6.749000      0.3480000     -0.7566000      0.5301000
  1 1 1       1  -22   21 o    6.076000      0.2819000       5.913000 0.4260000       6.240000      0.3692000     -0.3269000      0.5638000
  1 1 1       1  -22   22 o    5.494000      0.3282000       5.251000 0.5031000       5.737000      0.4215000     -0.4862000      0.6563000
  1 1 1       1  -22   23 f    3.490000      0.5175000       3.247000 0.7977000       3.732000      0.6596000     -0.4843000       1.035000
  1 1 1       1  -22   24 f    4.679000      0.3998000       4.272000 0.6201000       5.086000      0.5047000     -0.8135000      0.7995000
  1 1 1       1  -22   25 o    4.698000      0.4169000       5.108000 0.5277000       4.288000      0.6455000      0.8203000      0.8338000
  1 1 1       1  -22   26 f    5.236000      0.3998000       5.435000 0.5563000       5.038000      0.5745000      0.3967000      0.7997000
  1 1 1       1  -22   27 o    6.708000      0.3459000       6.365000 0.5095000       7.051000      0.4680000     -0.6866000      0.6918000
  1 1 1       1  -22   28 o    4.358000      0.5383000       4.978000 0.6304000       3.739000      0.8727000       1.239000       1.077000
  1 1 1       1  -21    0 f    5.197000      0.6747000       5.592000 0.9621000       4.803000      0.9461000      0.7892000       1.349000
  1 1 1       1  -21    1 o    4.339000      0.7642000       4.262000 0.9968000       4.416000       1.159000     -0.1533000       1.528000
  1 1 1       1  -21    2 o    4.549000      0.7085000       3.706000 1.011000       5.391000      0.9933000      -1.685000       1.417000
  1 1 1       1  -21    3 o    2.394000      0.7060000       2.462000 0.9719000       2.327000       1.024000      0.1355000       1.412000
  1 1 1       1  -21    4 o    5.045000      0.4405000       4.700000 0.6438000       5.390000      0.6014000     -0.6901000      0.8810000
  1 1 1       1  -21    5 o    3.220000      0.5347000       2.335000 0.8164000       4.104000      0.6907000      -1.770000       1.069000
  1 1 1       1  -21    6 o    9.023000      0.2895000       9.247000 0.4043000       8.800000      0.4146000      0.4467000      0.5791000
  1 1 1       1  -21    7 o    10.64000      0.2688000       10.53000 0.3988000       10.76000      0.3604000     -0.2302000      0.5375000
  1 1 1       1  -21    8 o    4.559000      0.7620000       4.701000 0.4592000       4.418000       1.453000      0.2832000       1.524000
  1 1 1       1  -21    9 o    4.614000      0.3022000       4.555000 0.4506000       4.673000      0.4027000     -0.1184000      0.6044000
  1 1 1       1  -21   10 o    5.508000      0.3573000                  ?       ?   5.508000      0.3573000                  ?              ?
  1 1 1       1  -21   11 o    6.014000      0.2644000       5.845000 0.4320000       6.184000      0.3050000     -0.3388000      0.5289000
  1 1 1       1  -21   12 o    4.278000      0.3506000       4.597000 0.5486000       3.959000      0.4368000      0.6376000      0.7013000
  1 1 1       1  -21   13 o    9.251000      0.2220000       8.956000 0.3388000       9.545000      0.2869000     -0.5890000      0.4440000
  1 1 1       1  -21   14 o    6.923000      0.2385000       6.737000 0.3757000       7.110000      0.2939000     -0.3738000      0.4770000
  1 1 1       1  -21   15 o    2.078000      0.5066000       2.049000 0.7693000       2.106000      0.6595000     -0.5680000E-01   1.013000
  1 1 1       1  -21   16 o    7.521000      0.2299000       7.815000 0.3417000       7.227000      0.3077000      0.5881000      0.4598000
  1 1 1       1  -21   17 o    7.049000      0.2326000       7.273000 0.3497000       6.826000      0.3069000      0.4463000      0.4653000
  1 1 1       1  -21   18 o    4.046000      0.3260000       3.922000 0.4806000       4.170000      0.4407000     -0.2478000      0.6521000
  1 1 1       1  -21   19 o    5.385000      0.2686000       5.403000 0.4020000       5.367000      0.3562000      0.3617000E-01  0.5371000
  1 1 1       1  -21   20 o    7.309000      0.2319000       7.209000 0.3428000       7.408000      0.3125000     -0.1995000      0.4639000
  1 1 1       1  -21   21 o    4.278000      0.3484000       4.333000 0.4764000       4.223000      0.5086000      0.1099000      0.6969000
  1 1 1       1  -21   22 o    6.006000      0.2721000       5.840000 0.3974000       6.172000      0.3719000     -0.3326000      0.5442000
  1 1 1       1  -21   23 o    6.020000      0.2777000       6.183000 0.3897000       5.856000      0.3958000      0.3266000      0.5555000
  1 1 1       1  -21   24 o    2.423000      0.5534000       2.309000 0.7684000       2.537000      0.7967000     -0.2277000       1.107000
  1 1 1       1  -21   25 o    2.885000      0.5831000       2.927000 0.8184000       2.843000      0.8308000      0.8420000E-01   1.166000
  1 1 1       1  -21   26 f    2.904000      0.5481000       3.900000 0.7614000       1.909000      0.7888000       1.990000       1.096000
  1 1 1       1  -21   27 o    4.697000      0.4326000       4.829000 0.6003000       4.564000      0.6230000      0.2653000      0.8651000
  1 1 1       1  -21   28 o    4.578000      0.4314000       4.818000 0.5785000       4.339000      0.6400000      0.4791000      0.8627000
  1 1 1       1  -21   29 o    2.622000      0.6227000       2.222000 0.8628000       3.022000      0.8982000     -0.7993000       1.245000
  1 1 1       1  -20    0 o    5.150000      0.5694000       5.007000 0.9004000       5.293000      0.6972000     -0.2857000       1.139000
  1 1 1       1  -20    1 o    4.953000      0.6256000       4.309000 0.9066000       5.597000      0.8622000      -1.288000       1.251000
  1 1 1       1  -20    2 o    4.311000      0.6784000       3.338000 0.9547000       5.285000      0.9642000      -1.947000       1.357000
  1 1 1       1  -20    3 o    4.559000      0.6242000       4.633000 0.6930000       4.484000       1.038000      0.1484000       1.248000
  1 1 1       1  -20    4 o    2.996000      0.5735000       2.970000 0.7573000       3.023000      0.8615000     -0.5296000E-01   1.147000
  1 1 1       1  -20    5 o    5.206000      0.3443000       5.129000 0.4565000       5.283000      0.5156000     -0.1546000      0.6887000
  1 1 1       1  -20    6 o    12.13000      0.2802000       12.27000 0.4078000       11.98000      0.3843000      0.2913000      0.5604000
  1 1 1       1  -20    7 o    3.122000      0.4224000       3.440000 0.5689000       2.805000      0.6246000      0.6346000      0.8448000
  1 1 1       1  -20    8 o    4.296000      0.3322000       4.323000 0.4627000       4.270000      0.4767000      0.5274000E-01  0.6644000
  1 1 1       1  -20    9 o    9.499000      0.2330000       9.140000 0.3445000       9.858000      0.3138000     -0.7185000      0.4660000
  1 1 1       1  -20   10 o    6.170000      0.2595000       6.281000 0.4074000       6.059000      0.3217000      0.2221000      0.5191000
  1 1 1       1  -20   11 o    6.845000      0.2393000       6.653000 0.3810000       7.037000      0.2896000     -0.3844000      0.4786000
  1 1 1       1  -20   12 o    1.563000      0.4675000       1.712000 0.7230000       1.414000      0.5930000      0.2971000      0.9351000
  1 1 1       1  -20   13 o    7.022000      0.2156000       7.122000 0.3306000       6.922000      0.2769000      0.2000000      0.4313000
  1 1 1       1  -20   14 o    3.797000      0.3474000       3.710000 0.5649000       3.884000      0.4044000     -0.1745000      0.6948000
  1 1 1       1  -20   15 o    6.845000      0.2333000       6.861000 0.3590000       6.830000      0.2980000      0.3087000E-01  0.4666000
  1 1 1       1  -20   16 o    6.943000      0.2142000       7.087000 0.3208000       6.799000      0.2839000      0.2881000      0.4284000
  1 1 1       1  -20   17 o    7.699000      0.2027000       7.599000 0.2999000       7.799000      0.2729000     -0.2000000      0.4055000
  1 1 1       1  -20   18 o    7.632000      0.2041000       7.734000 0.3020000       7.530000      0.2748000      0.2033000      0.4083000
  1 1 1       1  -20   19 o    8.675000      0.2102000       8.664000 0.3112000       8.686000      0.2826000     -0.2218000E-01  0.4204000
  1 1 1       1  -20   20 o    4.056000      0.3128000       3.825000 0.4828000       4.286000      0.3979000     -0.4608000      0.6256000
  1 1 1       1  -20   21 o    2.755000      0.4554000       2.698000 0.6298000       2.811000      0.6581000     -0.1133000      0.9109000
  1 1 1       1  -20   22 o    3.104000      0.4189000       2.862000 0.6092000       3.345000      0.5753000     -0.4830000      0.8379000
  1 1 1       1  -20   23 o    3.575000      0.4079000       3.744000 0.5424000       3.406000      0.6093000      0.3378000      0.8157000
  1 1 1       1  -20   24 o    1.811000      0.5112000       1.893000 0.7254000       1.729000      0.7206000      0.1645000       1.022000
  1 1 1       1  -20   25 o    1.715000      0.4912000       2.152000 0.7632000       1.279000      0.6186000      0.8734000      0.9824000
  1 1 1       1  -20   26 o    2.342000      0.5798000       2.558000 0.8111000       2.125000      0.8286000      0.4326000       1.160000
  1 1 1       1  -20   27 o    2.027000      0.5633000       2.265000 0.8159000       1.789000      0.7768000      0.4754000       1.127000
  1 1 1       1  -20   28 o    2.461000      0.5919000       2.109000 0.8195000       2.813000      0.8543000     -0.7040000       1.184000
  1 1 1       1  -20   29 o    1.674000      0.5305000       1.716000 0.7484000       1.633000      0.7520000      0.8227000E-01   1.061000
  1 1 1       1  -20   30 o    2.262000      0.5988000       2.696000 0.8795000       1.827000      0.8128000      0.8689000       1.198000
  1 1 1       1  -19    0 o    2.293000      0.6850000       2.347000 1.039000       2.239000      0.8929000      0.1084000       1.370000
  1 1 1       1  -19    1 o    4.291000      0.6560000       4.967000 0.8171000       3.616000       1.027000       1.352000       1.312000
  1 1 1       1  -19    2 o    6.084000      0.9544000       5.177000 1.621000       6.991000       1.008000      -1.814000       1.909000
  1 1 1       1  -19    3 o    6.689000      0.8567000       6.029000 1.407000       7.348000      0.9783000      -1.319000       1.713000
  1 1 1       1  -19    5 o    3.407000      0.9232000       2.817000 1.206000       3.998000       1.398000      -1.181000       1.846000
  1 1 1       1  -19    7 o    4.846000      0.9908000       3.729000 1.582000       5.964000       1.193000      -2.235000       1.982000
  1 1 1       1  -19    8 o    4.145000      0.9720000       4.314000 1.609000       3.977000       1.090000      0.3366000       1.944000
  1 1 1       1  -19    9 o    6.258000       1.413000       6.258000 1.413000                  ?              ?              ?              ?
  1 1 1       1  -19   10 o    8.951000      0.5532000       9.163000 0.9582000       8.739000      0.5529000      0.4239000       1.106000
  1 1 1       1  -19   11 o    3.223000      0.6733000       2.513000 1.061000       3.934000      0.8293000      -1.420000       1.347000
  1 1 1       1  -19   12 o    4.540000      0.4650000       4.281000 0.7651000       4.799000      0.5285000     -0.5185000      0.9299000
  1 1 1       1  -19   13 o    2.012000      0.5496000       1.833000 0.7883000       2.191000      0.7660000     -0.3584000       1.099000
  1 1 1       1  -19   14 o    11.43000      0.2880000       11.67000 0.4248000       11.20000      0.3890000      0.4711000      0.5760000
  1 1 1       1  -19   15 o    6.402000      0.2093000       6.265000 0.3136000       6.539000      0.2772000     -0.2733000      0.4186000
  1 1 1       1  -19   16 o    5.105000      0.2236000       4.888000 0.3443000       5.321000      0.2852000     -0.4333000      0.4471000
  1 1 1       1  -19   17 f    3.520000      0.3244000       3.331000 0.4999000       3.710000      0.4136000     -0.3787000      0.6488000
  1 1 1       1  -19   18 o    3.520000      0.3321000       3.547000 0.4607000       3.494000      0.4784000      0.5297000E-01  0.6642000
  1 1 1       1  -19   19 o    3.958000      0.2933000       4.064000 0.4179000       3.853000      0.4117000      0.2115000      0.5867000
  1 1 1       1  -19   20 o    3.699000      0.3204000       3.684000 0.4618000       3.713000      0.4442000     -0.2857000E-01  0.6408000
  1 1 1       1  -19   21 o    4.320000      0.2867000       4.088000 0.3998000       4.552000      0.4109000     -0.4637000      0.5733000
  1 1 1       1  -19   22 o    4.317000      0.3158000       4.496000 0.4299000       4.138000      0.4628000      0.3576000      0.6317000
  1 1 1       1  -19   23 o    2.168000      0.4703000       1.418000 0.6315000       2.919000      0.6971000      -1.501000      0.9406000
  1 1 1       1  -19   24 o    5.648000      0.2763000       5.397000 0.3870000       5.900000      0.3944000     -0.5036000      0.5526000
  1 1 1       1  -19   25 o    2.841000      0.5187000       2.863000 0.6953000       2.818000      0.7698000      0.4471000E-01   1.037000
  1 1 1       1  -19   26 o    2.736000      0.5420000       2.597000 0.7565000       2.875000      0.7763000     -0.2779000       1.084000
  1 1 1       1  -19   27 o    2.270000      0.5624000       2.023000 0.7642000       2.516000      0.8253000     -0.4936000       1.125000
  1 1 1       1  -19   28 o    1.482000      0.4924000       1.569000 0.7209000       1.396000      0.6710000      0.1729000      0.9849000
  1 1 1       1  -19   29 o    2.679000      0.6086000       2.755000 0.8354000       2.602000      0.8852000      0.1526000       1.217000
  1 1 1       1  -19   30 o    1.985000      0.5875000       1.943000 0.8132000       2.027000      0.8480000     -0.8353000E-01   1.175000
  1 1 1       1  -19   31 o    3.129000      0.7095000       3.034000 1.109000       3.224000      0.8850000     -0.1903000       1.419000
  1 1 1       1  -18    0 o    6.390000      0.7236000       7.448000 0.6896000       5.332000       1.272000       2.116000       1.447000
  1 1 1       1  -18    1 o    6.112000      0.5393000       5.666000 0.8260000       6.558000      0.6938000     -0.8919000       1.079000
  1 1 1       1  -18    2 o    7.789000      0.4109000       7.991000 0.4851000       7.587000      0.6634000      0.4037000      0.8218000
  1 1 1       1  -18    3 o    9.888000      0.3530000       9.686000 0.4694000       10.09000      0.5273000     -0.4033000      0.7060000
  1 1 1       1  -18    4 o    3.580000      0.4765000       2.918000 0.6985000       4.242000      0.6484000      -1.324000      0.9531000
  1 1 1       1  -18    5 o    1.929000      0.4971000       2.165000 0.6897000       1.692000      0.7160000      0.4731000      0.9941000
  1 1 1       1  -18    6 f    3.350000      0.3974000       3.065000 0.5537000       3.634000      0.5701000     -0.5695000      0.7947000
  1 1 1       1  -18    7 o    4.949000      0.2412000       5.107000 0.3330000       4.791000      0.3491000      0.3153000      0.4824000
  1 1 1       1  -18    8 f    2.152000      0.4204000       1.756000 0.6355000       2.548000      0.5505000     -0.7912000      0.8408000
  1 1 1       1  -18    9 o    11.03000      0.3360000       11.03000 0.3360000                  ?              ?              ?              ?
  1 1 1       1  -18   10 o    10.18000      0.2100000       10.27000 0.3213000       10.08000      0.2703000      0.1870000      0.4199000
  1 1 1       1  -18   11 o    2.219000      0.5522000                  ?       ?   2.219000      0.5522000                  ?              ?
  1 1 1       1  -18   12 o    5.844000      0.2164000       6.214000 0.3323000       5.474000      0.2773000      0.7402000      0.4328000
  1 1 1       1  -18   13 o    7.773000      0.1984000       7.507000 0.3054000       8.040000      0.2533000     -0.5334000      0.3968000
  1 1 1       1  -18   14 o    9.722000      0.1915000       9.693000 0.2817000       9.750000      0.2594000     -0.5640000E-01  0.3829000
  1 1 1       1  -18   15 o    5.796000      0.2004000       5.756000 0.2968000       5.836000      0.2695000     -0.7951000E-01  0.4009000
  1 1 1       1  -18   16 o    5.082000      0.2422000       4.930000 0.3129000       5.235000      0.3698000     -0.3049000      0.4844000
  1 1 1       1  -18   17 o    5.700000      0.2658000       5.588000 0.3724000       5.812000      0.3794000     -0.2241000      0.5316000
  1 1 1       1  -18   18 o    3.812000      0.3561000       4.122000 0.4121000       3.502000      0.5809000      0.6202000      0.7123000
  1 1 1       1  -18   19 o    1.980000      0.4155000       2.707000 0.5827000       1.252000      0.5926000       1.454000      0.8311000
  1 1 1       1  -18   20 o    5.528000      0.2809000       5.676000 0.3393000       5.380000      0.4478000      0.2953000      0.5618000
  1 1 1       1  -18   21 o    6.274000      0.2232000       6.490000 0.3104000       6.058000      0.3209000      0.4323000      0.4465000
  1 1 1       1  -18   22 o    4.954000      0.2723000       4.376000 0.3998000       5.532000      0.3699000      -1.156000      0.5446000
  1 1 1       1  -18   23 o    13.64000      0.2359000       13.51000 0.3384000       13.77000      0.3286000     -0.2585000      0.4717000
  1 1 1       1  -18   24 o    13.54000      0.2389000       13.38000 0.3408000       13.71000      0.3349000     -0.3368000      0.4779000
  1 1 1       1  -18   25 o    2.492000      0.5002000       1.837000 0.7042000       3.147000      0.7106000      -1.310000       1.000000
  1 1 1       1  -18   26 o    6.360000      0.2832000       6.160000 0.4066000       6.560000      0.3943000     -0.3996000      0.5664000
  1 1 1       1  -18   27 o    2.468000      0.5762000       2.540000 0.7967000       2.396000      0.8327000      0.1447000       1.152000
  1 1 1       1  -18   28 o    4.426000      0.4113000       4.523000 0.5165000       4.330000      0.6402000      0.1924000      0.8226000
  1 1 1       1  -18   29 o    4.483000      0.5516000       3.476000 0.7562000       5.489000      0.8032000      -2.013000       1.103000
  1 1 1       1  -18   30 o    2.421000      0.5645000       1.656000 0.7470000       3.187000      0.8466000      -1.531000       1.129000
  1 1 1       1  -18   31 o    1.828000      0.5570000       1.666000 0.7427000       1.990000      0.8302000     -0.3244000       1.114000
  1 1 1       1  -17    0 o    4.560000       1.105000       5.112000 1.289000       4.007000       1.796000       1.104000       2.211000
  1 1 1       1  -17    2 o    3.114000      0.8602000       2.361000 0.9438000       3.867000       1.438000      -1.506000       1.720000
  1 1 1       1  -17    3 o    6.174000      0.6085000       5.949000 0.5963000       6.398000       1.061000     -0.4487000       1.217000
  1 1 1       1  -17    4 o    2.900000      0.5430000       3.257000 0.6504000       2.543000      0.8696000      0.7142000       1.086000
  1 1 1       1  -17    5 o    1.541000      0.4748000       1.336000 0.5978000       1.747000      0.7379000     -0.4116000      0.9497000
  1 1 1       1  -17    6 o    9.932000      0.2558000       9.832000 0.3471000       10.03000      0.3757000     -0.2013000      0.5115000
  1 1 1       1  -17    7 o    8.855000      0.2289000       9.095000 0.3244000       8.615000      0.3232000      0.4805000      0.4579000
  1 1 1       1  -17    8 o    4.953000      0.2458000       4.852000 0.3562000       5.054000      0.3387000     -0.2021000      0.4916000
  1 1 1       1  -17    9 o    5.208000      0.3662000       5.208000 0.3662000                  ?              ?              ?              ?
  1 1 1       1  -17   10 o    5.774000      0.2368000       6.014000 0.3682000       5.535000      0.2981000      0.4791000      0.4737000
  1 1 1       1  -17   11 o    7.208000      0.3133000                  ?       ?   7.208000      0.3133000                  ?              ?
  1 1 1       1  -17   12 o    11.28000      0.2734000       11.02000 0.4027000       11.53000      0.3700000     -0.5111000      0.5469000
  1 1 1       1  -17   13 o    4.432000      0.3536000       4.148000 0.6023000       4.716000      0.3709000     -0.5677000      0.7073000
  1 1 1       1  -17   14 o    7.214000      0.2962000       7.161000 0.4667000       7.267000      0.3649000     -0.1057000      0.5924000
  1 1 1       1  -17   15 o    9.016000      0.2919000       8.967000 0.4471000       9.066000      0.3752000     -0.9922000E-01  0.5837000
  1 1 1       1  -17   16 o    2.716000      0.3367000       2.710000 0.5080000       2.721000      0.4419000     -0.1145000E-01  0.6733000
  1 1 1       1  -17   17 o    2.477000      0.3736000       2.071000 0.5873000       2.882000      0.4620000     -0.8104000      0.7472000
  1 1 1       1  -17   18 o    4.651000      0.2362000       4.395000 0.3447000       4.907000      0.3230000     -0.5117000      0.4723000
  1 1 1       1  -17   19 o    4.146000      0.2518000       3.823000 0.3654000       4.468000      0.3465000     -0.6455000      0.5036000
  1 1 1       1  -17   20 o    6.439000      0.2137000       6.506000 0.3000000       6.372000      0.3044000      0.1349000      0.4274000
  1 1 1       1  -17   21 o    5.589000      0.2736000       4.893000 0.3183000       6.286000      0.4452000      -1.393000      0.5473000
  1 1 1       1  -17   22 o    2.924000      0.4764000       3.622000 0.4949000       2.227000      0.8141000       1.395000      0.9527000
  1 1 1       1  -17   23 o    8.275000      0.2678000       8.139000 0.3436000       8.411000      0.4108000     -0.2719000      0.5355000
  1 1 1       1  -17   24 o    4.961000      0.3870000       5.099000 0.4524000       4.824000      0.6279000      0.2750000      0.7739000
  1 1 1       1  -17   25 o    4.354000      0.3517000       4.158000 0.5058000       4.549000      0.4888000     -0.3917000      0.7034000
  1 1 1       1  -17   26 o    3.735000      0.4354000       3.721000 0.6048000       3.750000      0.6265000     -0.2906000E-01  0.8708000
  1 1 1       1  -17   27 o    4.432000      0.3847000       4.392000 0.4807000       4.471000      0.6008000     -0.7949000E-01  0.7695000
  1 1 1       1  -17   28 o    2.789000      0.5277000       2.003000 0.7584000       3.576000      0.7339000      -1.573000       1.055000
  1 1 1       1  -17   29 o    1.377000      0.4621000       1.398000 0.6555000       1.355000      0.6516000      0.4218000E-01  0.9242000
  1 1 1       1  -17   30 o    1.728000      0.5356000       1.885000 0.7844000       1.572000      0.7296000      0.3125000       1.071000
  1 1 1       1  -17   31 o    2.133000      0.5889000       2.108000 0.8125000       2.158000      0.8526000     -0.4994000E-01   1.178000
  1 1 1       1  -17   32 o    2.639000      0.6214000       2.552000 0.8622000       2.726000      0.8950000     -0.1741000       1.243000
  1 1 1       1  -16    0 o    6.723000      0.4556000       6.199000 0.7616000       7.247000      0.5003000      -1.048000      0.9112000
  1 1 1       1  -16    1 o    5.433000      0.6636000       4.568000 1.066000       6.298000      0.7909000      -1.730000       1.327000
  1 1 1       1  -16    2 o    5.017000      0.5418000       4.740000 0.6517000       5.294000      0.8657000     -0.5538000       1.084000
  1 1 1       1  -16    3 o    6.861000      0.4081000       6.329000 0.4938000       7.392000      0.6498000      -1.062000      0.8161000
  1 1 1       1  -16    4 o    5.765000      0.3071000       5.510000 0.4028000       6.019000      0.4637000     -0.5087000      0.6142000
  1 1 1       1  -16    5 o    7.432000      0.2345000       7.393000 0.3142000       7.471000      0.3481000     -0.7878000E-01  0.4689000
  1 1 1       1  -16    6 o    1.772000      0.4441000       1.447000 0.5995000       2.097000      0.6554000     -0.6503000      0.8882000
  1 1 1       1  -16    7 o    13.36000      0.2375000       13.22000 0.3581000       13.50000      0.3121000     -0.2806000      0.4750000
  1 1 1       1  -16    8 o    7.616000      0.1968000       7.675000 0.2935000       7.556000      0.2623000      0.1195000      0.3936000
  1 1 1       1  -16    9 o    10.14000      0.1907000       10.26000 0.2838000       10.02000      0.2548000      0.2440000      0.3814000
  1 1 1       1  -16   10 o    6.957000      0.1749000       6.897000 0.2658000       7.017000      0.2275000     -0.1199000      0.3499000
  1 1 1       1  -16   11 o    2.888000      0.3288000       2.849000 0.5346000       2.927000      0.3829000     -0.7728000E-01  0.6576000
  1 1 1       1  -16   12 o    10.33000      0.1805000       10.28000 0.2657000       10.39000      0.2446000     -0.1101000      0.3611000
  1 1 1       1  -16   13 f    2.424000      0.3348000       2.286000 0.5187000       2.562000      0.4234000     -0.2756000      0.6696000
  1 1 1       1  -16   14 o    9.561000      0.1761000       9.420000 0.2557000       9.702000      0.2423000     -0.2821000      0.3523000
  1 1 1       1  -16   15 o    5.577000      0.1940000       5.643000 0.2743000       5.512000      0.2743000      0.1320000      0.3879000
  1 1 1       1  -16   16 o    6.381000      0.1895000       6.340000 0.2715000       6.423000      0.2644000     -0.8330000E-01  0.3789000
  1 1 1       1  -16   17 o    6.811000      0.3293000       6.471000 0.5340000       7.151000      0.3854000     -0.6795000      0.6586000
  1 1 1       1  -16   18 o    4.965000      0.4103000       4.931000 0.6869000       4.999000      0.4491000     -0.6828000E-01  0.8207000
  1 1 1       1  -16   19 o    5.222000      0.4112000       4.781000 0.6954000       5.664000      0.4389000     -0.8825000      0.8223000
  1 1 1       1  -16   20 f    8.392000      0.3258000       8.579000 0.5083000       8.206000      0.4076000      0.3728000      0.6516000
  1 1 1       1  -16   21 o    7.726000      0.2094000       7.988000 0.2969000       7.464000      0.2953000      0.5235000      0.4188000
  1 1 1       1  -16   22 o    14.43000      0.2365000       14.12000 0.3360000       14.75000      0.3330000     -0.6368000      0.4731000
  1 1 1       1  -16   23 o    8.120000      0.2140000       8.188000 0.2974000       8.053000      0.3077000      0.1353000      0.4279000
  1 1 1       1  -16   24 o    6.008000      0.2591000       5.653000 0.3787000       6.363000      0.3537000     -0.7100000      0.5182000
  1 1 1       1  -16   25 o    3.805000      0.4892000       2.678000 0.7428000       4.931000      0.6366000      -2.253000      0.9783000
  1 1 1       1  -16   26 o    2.669000      0.5865000       1.933000 0.7613000       3.404000      0.8923000      -1.471000       1.173000
  1 1 1       1  -16   27 o    4.671000      0.3596000       4.594000 0.4675000       4.748000      0.5465000     -0.1534000      0.7192000
  1 1 1       1  -16   28 o    2.572000      0.5634000       2.903000 0.7568000       2.242000      0.8349000      0.6615000       1.127000
  1 1 1       1  -16   29 o    4.520000      0.3927000       4.416000 0.5389000       4.624000      0.5713000     -0.2076000      0.7854000
  1 1 1       1  -16   30 o    2.679000      0.5829000       3.092000 0.7813000       2.265000      0.8652000      0.8267000       1.166000
  1 1 1       1  -16   31 o    4.209000      0.4744000       3.781000 0.7002000       4.637000      0.6402000     -0.8568000      0.9487000
  1 1 1       1  -16   32 o    4.248000      0.4711000       4.211000 0.6391000       4.285000      0.6922000     -0.7399000E-01  0.9422000
  1 1 1       1  -16   33 o    4.320000      0.4831000       4.686000 0.5979000       3.954000      0.7590000      0.7318000      0.9663000
  1 1 1       1  -15    0 o    7.534000      0.4165000       7.385000 0.6582000       7.683000      0.5104000     -0.2974000      0.8329000
  1 1 1       1  -15    1 o    7.751000      0.4776000       6.880000 0.7033000       8.621000      0.6462000      -1.740000      0.9551000
  1 1 1       1  -15    2 o    5.401000      0.7189000       6.138000 0.5351000       4.664000       1.335000       1.474000       1.438000
  1 1 1       1  -15    3 o    7.685000      0.4451000       7.865000 0.4141000       7.505000      0.7879000      0.3605000      0.8901000
  1 1 1       1  -15    4 o    6.152000      0.2815000       5.904000 0.3730000       6.400000      0.4216000     -0.4956000      0.5629000
  1 1 1       1  -15    5 o    3.455000      0.4113000       4.273000 0.4030000       2.638000      0.7171000       1.634000      0.8226000
  1 1 1       1  -15    6 o    11.27000      0.2317000       11.74000 0.3634000       10.80000      0.2874000      0.9361000      0.4633000
  1 1 1       1  -15    7 o    11.74000      0.2123000       12.03000 0.3209000       11.44000      0.2782000      0.5905000      0.4247000
  1 1 1       1  -15    8 o    5.922000      0.1896000       5.787000 0.2904000       6.057000      0.2439000     -0.2699000      0.3793000
  1 1 1       1  -15    9 o    8.016000      0.1694000       7.841000 0.2528000       8.191000      0.2255000     -0.3503000      0.3387000
  1 1 1       1  -15   10 o    4.922000      0.1838000       5.167000 0.2774000       4.676000      0.2412000      0.4906000      0.3676000
  1 1 1       1  -15   11 o    1.331000      0.3780000       1.375000 0.5610000       1.288000      0.5068000      0.8666000E-01  0.7560000
  1 1 1       1  -15   12 o    9.829000      0.1705000       9.719000 0.2463000       9.938000      0.2358000     -0.2193000      0.3410000
  1 1 1       1  -15   13 o    6.166000      0.1677000       6.274000 0.2482000       6.057000      0.2256000      0.2169000      0.3355000
  1 1 1       1  -15   14 o    1.826000      0.3586000       2.306000 0.4859000       1.346000      0.5275000      0.9599000      0.7172000
  1 1 1       1  -15   15 f    5.395000      0.1833000       5.212000 0.2710000       5.577000      0.2469000     -0.3649000      0.3666000
  1 1 1       1  -15   16 o    11.05000      0.1903000       11.15000 0.2733000       10.94000      0.2648000      0.2030000      0.3806000
  1 1 1       1  -15   17 o    4.457000      0.2214000       4.368000 0.3010000       4.546000      0.3246000     -0.1772000      0.4427000
  1 1 1       1  -15   18 o    6.237000      0.1973000       6.255000 0.2695000       6.219000      0.2881000      0.3537000E-01  0.3945000
  1 1 1       1  -15   19 o    5.002000      0.2237000       5.149000 0.3016000       4.854000      0.3304000      0.2951000      0.4474000
  1 1 1       1  -15   20 o    5.894000      0.2161000       6.021000 0.3016000       5.766000      0.3097000      0.2554000      0.4323000
  1 1 1       1  -15   21 o    12.40000      0.3370000       12.51000 0.5112000       12.30000      0.4393000      0.2069000      0.6740000
  1 1 1       1  -15   22 o    6.317000      0.4107000       5.967000 0.6780000       6.667000      0.4638000     -0.7008000      0.8214000
  1 1 1       1  -15   23 o    2.457000      0.6134000       2.139000 0.9230000       2.775000      0.8082000     -0.6358000       1.227000
  1 1 1       1  -15   24 o    5.248000      0.2811000       5.154000 0.3878000       5.342000      0.4070000     -0.1884000      0.5622000
  1 1 1       1  -15   25 o    8.677000      0.2273000       8.352000 0.3214000       9.002000      0.3217000     -0.6497000      0.4547000
  1 1 1       1  -15   26 o    1.677000      0.4930000       1.526000 0.6579000       1.829000      0.7344000     -0.3031000      0.9860000
  1 1 1       1  -15   27 o    6.534000      0.3589000       6.281000 0.4318000       6.787000      0.5735000     -0.5056000      0.7179000
  1 1 1       1  -15   28 o    7.905000      0.3468000       8.235000 0.4122000       7.576000      0.5578000      0.6597000      0.6936000
  1 1 1       1  -15   29 o    2.024000      0.5699000       1.985000 0.7954000       2.062000      0.8163000     -0.7748000E-01   1.140000
  1 1 1       1  -15   30 o    2.497000      0.5792000       2.880000 0.7892000       2.113000      0.8480000      0.7669000       1.158000
  1 1 1       1  -15   31 o    6.704000      0.3192000       6.552000 0.4496000       6.855000      0.4532000     -0.3032000      0.6384000
  1 1 1       1  -15   32 o    2.155000      0.5799000       2.498000 0.8508000       1.812000      0.7882000      0.6856000       1.160000
  1 1 1       1  -15   33 o    2.856000      0.5907000       3.264000 0.7955000       2.449000      0.8733000      0.8150000       1.181000
  1 1 1       1  -14    0 o    7.310000      0.4005000       7.222000 0.6234000       7.398000      0.5030000     -0.1758000      0.8010000
  1 1 1       1  -14    1 o    3.495000      0.7496000       2.699000 1.069000       4.291000       1.051000      -1.591000       1.499000
  1 1 1       1  -14    2 o    6.731000      0.3842000       6.596000 0.4856000       6.867000      0.5955000     -0.2710000      0.7684000
  1 1 1       1  -14    3 o    11.04000      0.2953000       11.09000 0.4012000       10.99000      0.4336000      0.1004000      0.5907000
  1 1 1       1  -14    4 f    6.935000      0.2563000       7.110000 0.3292000       6.760000      0.3931000      0.3504000      0.5127000
  1 1 1       1  -14    5 o    4.909000      0.2494000       4.590000 0.3335000       5.227000      0.3708000     -0.6376000      0.4987000
  1 1 1       1  -14    6 o    11.30000      0.2103000       11.44000 0.3180000       11.16000      0.2752000      0.2766000      0.4205000
  1 1 1       1  -14    7 o    4.343000      0.2142000       4.266000 0.3193000       4.420000      0.2856000     -0.1543000      0.4283000
  1 1 1       1  -14    8 o    3.532000      0.2496000       3.061000 0.4160000       4.002000      0.2760000     -0.9409000      0.4992000
  1 1 1       1  -14    9 o    5.388000      0.1710000       5.385000 0.2567000       5.391000      0.2258000     -0.5102000E-02  0.3419000
  1 1 1       1  -14   10 o    4.505000      0.2849000       4.505000 0.2849000                  ?              ?              ?              ?
  1 1 1       1  -14   11 o    1.848000      0.3384000       2.200000 0.4689000       1.495000      0.4881000      0.7055000      0.6768000
  1 1 1       1  -14   12 o    10.82000      0.2450000                  ?       ?   10.82000      0.2450000                  ?              ?
  1 1 1       1  -14   13 o    10.07000      0.1724000       10.37000 0.2535000       9.769000      0.2337000      0.6062000      0.3447000
  1 1 1       1  -14   14 o    6.498000      0.1639000       6.497000 0.2366000       6.498000      0.2268000     -0.1177000E-02  0.3277000
  1 1 1       1  -14   15 o    2.557000      0.3070000       2.371000 0.4487000       2.743000      0.4190000     -0.3720000      0.6139000
  1 1 1       1  -14   16 f    6.744000      0.1758000       6.847000 0.2444000       6.640000      0.2527000      0.2078000      0.3516000
  1 1 1       1  -14   17 o    3.138000      0.2845000       2.937000 0.4190000       3.339000      0.3849000     -0.4020000      0.5689000
  1 1 1       1  -14   18 o    6.292000      0.1887000       6.238000 0.2658000       6.347000      0.2679000     -0.1089000      0.3774000
  1 1 1       1  -14   19 o    2.775000      0.3703000       3.102000 0.4601000       2.447000      0.5803000      0.6548000      0.7406000
  1 1 1       1  -14   20 o    9.021000      0.1989000       8.813000 0.2840000       9.229000      0.2784000     -0.4162000      0.3977000
  1 1 1       1  -14   21 o    10.87000      0.2778000       11.31000 0.4740000       10.43000      0.2900000      0.8838000      0.5556000
  1 1 1       1  -14   22 o    7.210000      0.2159000       7.140000 0.2973000       7.281000      0.3131000     -0.1409000      0.4317000
  1 1 1       1  -14   23 o    2.262000      0.4710000       1.960000 0.6464000       2.564000      0.6852000     -0.6039000      0.9420000
  1 1 1       1  -14   24 o    2.956000      0.6606000       2.888000 0.9824000       3.025000      0.8835000     -0.1372000       1.321000
  1 1 1       1  -14   25 o    3.039000      0.6672000       4.102000 1.061000       1.976000      0.8088000       2.126000       1.334000
  1 1 1       1  -14   26 o    5.915000      0.3361000       5.390000 0.3706000       6.440000      0.5608000      -1.050000      0.6722000
  1 1 1       1  -14   27 o    3.041000      0.4893000       3.286000 0.6134000       2.797000      0.7626000      0.4883000      0.9787000
  1 1 1       1  -14   28 o    2.286000      0.5526000       1.884000 0.7472000       2.689000      0.8145000     -0.8048000       1.105000
  1 1 1       1  -14   29 o    2.973000      0.6407000       2.608000 0.8125000       3.337000      0.9907000     -0.7290000       1.281000
  1 1 1       1  -14   30 o    2.338000      0.6420000       2.178000 0.8338000       2.497000      0.9764000     -0.3188000       1.284000
  1 1 1       1  -14   31 o    1.767000      0.5386000       1.764000 0.7404000       1.769000      0.7824000     -0.5080000E-02   1.077000
  1 1 1       1  -14   32 o    1.877000      0.5598000       1.965000 0.8004000       1.789000      0.7828000      0.1761000       1.120000
  1 1 1       1  -14   33 o    1.904000      0.5469000       2.311000 0.8360000       1.497000      0.7055000      0.8140000       1.094000
  1 1 1       1  -14   34 f    1.993000      0.5780000       2.026000 0.8107000       1.960000      0.8242000      0.6537000E-01   1.156000
  1 1 1       1  -13    0 o    14.46000      0.3620000       14.78000 0.5698000       14.13000      0.4467000      0.6439000      0.7241000
  1 1 1       1  -13    1 o    4.240000      0.6829000       4.030000 1.018000       4.451000      0.9110000     -0.4213000       1.366000
  1 1 1       1  -13    2 o    14.31000      0.2984000       14.22000 0.4264000       14.39000      0.4176000     -0.1679000      0.5969000
  1 1 1       1  -13    3 o    5.277000      0.4475000       6.029000 0.4335000       4.525000      0.7830000       1.505000      0.8950000
  1 1 1       1  -13    4 o    4.138000      0.3249000       3.973000 0.4144000       4.303000      0.5006000     -0.3298000      0.6498000
  1 1 1       1  -13    5 o    2.236000      0.4286000       2.479000 0.5563000       1.993000      0.6521000      0.4862000      0.8572000
  1 1 1       1  -13    6 o    4.919000      0.1965000       5.034000 0.2880000       4.804000      0.2674000      0.2305000      0.3930000
  1 1 1       1  -13    7 o    2.283000      0.3074000       2.449000 0.4156000       2.117000      0.4530000      0.3317000      0.6148000
  1 1 1       1  -13    8 o    1.688000      0.3440000       2.106000 0.4923000       1.269000      0.4806000      0.8365000      0.6880000
  1 1 1       1  -13    9 o    4.499000      0.1796000       4.584000 0.2700000       4.414000      0.2368000      0.1697000      0.3591000
  1 1 1       1  -13   10 o    6.635000      0.2156000       6.635000 0.2156000                  ?              ?              ?              ?
  1 1 1       1  -13   11 o    5.860000      0.1494000       5.870000 0.2199000       5.851000      0.2023000      0.1884000E-01  0.2988000
  1 1 1       1  -13   12 o    5.934000      0.2190000                  ?       ?   5.934000      0.2190000                  ?              ?
  1 1 1       1  -13   13 o    8.553000      0.1617000       8.646000 0.2338000       8.459000      0.2234000      0.1873000      0.3234000
  1 1 1       1  -13   14 o    8.546000      0.1655000       8.653000 0.2391000       8.440000      0.2289000      0.2129000      0.3311000
  1 1 1       1  -13   15 o    5.923000      0.1725000       6.017000 0.2376000       5.829000      0.2501000      0.1881000      0.3449000
  1 1 1       1  -13   16 o    3.697000      0.2409000       3.571000 0.3298000       3.822000      0.3513000     -0.2507000      0.4819000
  1 1 1       1  -13   17 o    5.125000      0.1994000       5.048000 0.2847000       5.202000      0.2792000     -0.1538000      0.3988000
  1 1 1       1  -13   18 o    1.869000      0.4079000       1.396000 0.5751000       2.342000      0.5787000     -0.9454000      0.8158000
  1 1 1       1  -13   19 o    6.336000      0.2018000       6.086000 0.2891000       6.587000      0.2817000     -0.5007000      0.4036000
  1 1 1       1  -13   20 o    7.118000      0.2019000       6.769000 0.2862000       7.467000      0.2850000     -0.6971000      0.4039000
  1 1 1       1  -13   21 o    3.203000      0.3488000       3.434000 0.4235000       2.973000      0.5544000      0.4615000      0.6976000
  1 1 1       1  -13   22 o    9.162000      0.2050000       8.704000 0.2847000       9.620000      0.2951000     -0.9160000      0.4101000
  1 1 1       1  -13   23 o    6.946000      0.2202000       6.689000 0.3029000       7.204000      0.3197000     -0.5148000      0.4404000
  1 1 1       1  -13   24 o    3.688000      0.3477000       3.560000 0.4610000       3.816000      0.5207000     -0.2559000      0.6954000
  1 1 1       1  -13   25 o    2.966000      0.4315000       2.733000 0.6234000       3.199000      0.5968000     -0.4660000      0.8630000
  1 1 1       1  -13   26 o    2.700000      0.6743000       2.503000 1.000000       2.897000      0.9045000     -0.3945000       1.349000
  1 1 1       1  -13   27 o    4.635000      0.6296000       4.637000 1.034000       4.633000      0.7184000      0.4760000E-02   1.259000
  1 1 1       1  -13   28 o    4.681000      0.3538000       4.685000 0.4729000       4.677000      0.5264000      0.7606000E-02  0.7076000
  1 1 1       1  -13   29 o    5.307000      0.3420000       5.768000 0.4287000       4.846000      0.5330000      0.9225000      0.6840000
  1 1 1       1  -13   30 o    3.728000      0.4826000       3.458000 0.7074000       3.997000      0.6567000     -0.5398000      0.9652000
  1 1 1       1  -13   31 o    3.324000      0.6654000       3.359000 0.7902000       3.289000       1.071000      0.7044000E-01   1.331000
  1 1 1       1  -13   32 o    4.765000      0.5303000       4.739000 0.6380000       4.792000      0.8472000     -0.5355000E-01   1.061000
  1 1 1       1  -13   33 f    5.036000      0.3931000       4.742000 0.5636000       5.330000      0.5482000     -0.5881000      0.7862000
  1 1 1       1  -13   34 o    2.791000      0.5955000       3.195000 0.8163000       2.388000      0.8672000      0.8073000       1.191000
  1 1 1       1  -12    0 o    4.880000      0.4519000       4.509000 0.7468000       5.250000      0.5090000     -0.7410000      0.9037000
  1 1 1       1  -12    1 o    10.63000      0.3376000       10.71000 0.4818000       10.56000      0.4729000      0.1478000      0.6751000
  1 1 1       1  -12    2 f    11.05000      0.2825000       11.41000 0.3897000       10.70000      0.4092000      0.7115000      0.5651000
  1 1 1       1  -12    3 o    7.972000      0.2862000       7.949000 0.3619000       7.995000      0.4435000     -0.4516000E-01  0.5725000
  1 1 1       1  -12    4 o    9.786000      0.2203000       9.493000 0.3182000       10.08000      0.3048000     -0.5864000      0.4406000
  1 1 1       1  -12    5 o    15.15000      0.2730000       15.38000 0.4387000       14.91000      0.3251000      0.4646000      0.5460000
  1 1 1       1  -12    6 o    2.764000      0.2636000       2.567000 0.4103000       2.961000      0.3309000     -0.3938000      0.5271000
  1 1 1       1  -12    7 f    4.742000      0.1646000       4.843000 0.2421000       4.640000      0.2230000      0.2037000      0.3291000
  1 1 1       1  -12    8 o    11.57000      0.1805000       11.57000 0.2615000       11.57000      0.2490000      0.7521000E-02  0.3611000
  1 1 1       1  -12    9 o    16.72000      0.2360000       16.62000 0.3332000       16.82000      0.3343000     -0.2070000      0.4720000
  1 1 1       1  -12   10 o    9.434000      0.1585000       9.530000 0.2282000       9.338000      0.2199000      0.1929000      0.3169000
  1 1 1       1  -12   11 o    9.741000      0.1641000       9.888000 0.2376000       9.594000      0.2263000      0.2942000      0.3281000
  1 1 1       1  -12   12 f    7.079000      0.1504000       7.067000 0.2160000       7.090000      0.2093000     -0.2374000E-01  0.3008000
  1 1 1       1  -12   13 o    5.466000      0.1600000       5.343000 0.2275000       5.588000      0.2249000     -0.2448000      0.3200000
  1 1 1       1  -12   14 o    9.362000      0.1689000       9.348000 0.2426000       9.375000      0.2349000     -0.2699000E-01  0.3377000
  1 1 1       1  -12   15 o    7.314000      0.1665000       7.328000 0.2397000       7.299000      0.2311000      0.2839000E-01  0.3330000
  1 1 1       1  -12   16 o    6.784000      0.1733000       6.890000 0.2399000       6.678000      0.2502000      0.2122000      0.3466000
  1 1 1       1  -12   17 o    1.932000      0.4130000       1.823000 0.5780000       2.040000      0.5902000     -0.2170000      0.8261000
  1 1 1       1  -12   18 o    2.176000      0.4035000       2.428000 0.5309000       1.925000      0.6077000      0.5035000      0.8070000
  1 1 1       1  -12   19 o    3.466000      0.2992000       3.246000 0.4125000       3.686000      0.4334000     -0.4393000      0.5984000
  1 1 1       1  -12   20 o    4.653000      0.2499000       4.416000 0.3571000       4.890000      0.3495000     -0.4745000      0.4997000
  1 1 1       1  -12   21 o    5.220000      0.2614000       5.229000 0.3722000       5.212000      0.3671000      0.1704000E-01  0.5228000
  1 1 1       1  -12   22 o    7.391000      0.2087000       7.229000 0.2879000       7.554000      0.3021000     -0.3251000      0.4173000
  1 1 1       1  -12   23 o    2.264000      0.4633000       2.389000 0.6144000       2.139000      0.6936000      0.2493000      0.9266000
  1 1 1       1  -12   24 o    8.698000      0.2131000       8.351000 0.2927000       9.045000      0.3097000     -0.6939000      0.4261000
  1 1 1       1  -12   25 o    4.760000      0.2976000       4.657000 0.4050000       4.864000      0.4360000     -0.2063000      0.5951000
  1 1 1       1  -12   26 o    2.044000      0.4967000       1.575000 0.6527000       2.513000      0.7490000     -0.9381000      0.9935000
  1 1 1       1  -12   27 o    6.133000      0.2789000       6.195000 0.3702000       6.070000      0.4171000      0.1249000      0.5577000
  1 1 1       1  -12   28 o    5.099000      0.6236000       4.771000 1.054000       5.426000      0.6670000     -0.6555000       1.247000
  1 1 1       1  -12   29 o    3.639000      0.6966000       4.547000 1.017000       2.731000      0.9525000       1.817000       1.393000
  1 1 1       1  -12   30 o    1.827000      0.5370000       1.873000 0.7537000       1.782000      0.7651000      0.9138000E-01   1.074000
  1 1 1       1  -12   31 o    3.082000      0.5687000       3.146000 0.7568000       3.017000      0.8491000      0.1284000       1.137000
  1 1 1       1  -12   32 o    2.215000      0.6410000       2.112000 0.8345000       2.319000      0.9732000     -0.2066000       1.282000
  1 1 1       1  -12   33 o    4.975000      0.5377000       4.253000 0.7717000       5.697000      0.7489000      -1.445000       1.075000
  1 1 1       1  -12   34 o    2.210000      0.5788000       2.515000 0.8414000       1.905000      0.7950000      0.6096000       1.158000
  1 1 1       1  -12   35 o    2.171000      0.5761000       2.534000 0.8401000       1.808000      0.7884000      0.7264000       1.152000
  1 1 1       1  -11    0 o    14.70000      0.2889000       14.47000 0.3940000       14.94000      0.4228000     -0.4700000      0.5779000
  1 1 1       1  -11    1 o    14.92000      0.3271000       14.12000 0.4531000       15.73000      0.4718000      -1.605000      0.6541000
  1 1 1       1  -11    2 o    17.37000      0.3979000       17.92000 0.4634000       16.82000      0.6470000       1.100000      0.7958000
  1 1 1       1  -11    3 o    12.90000      0.2723000       12.76000 0.4002000       13.03000      0.3695000     -0.2654000      0.5447000
  1 1 1       1  -11    4 o    19.90000      0.3945000       20.47000 0.5638000       19.34000      0.5520000       1.130000      0.7891000
  1 1 1       1  -11    5 o    9.801000      0.1883000       9.461000 0.2779000       10.14000      0.2541000     -0.6802000      0.3766000
  1 1 1       1  -11    6 o    14.12000      0.2119000       14.03000 0.3057000       14.22000      0.2934000     -0.1920000      0.4238000
  1 1 1       1  -11    7 o    10.89000      0.1715000       10.96000 0.2498000       10.83000      0.2351000      0.1295000      0.3431000
  1 1 1       1  -11    8 o    4.700000      0.1447000       4.622000 0.2164000       4.778000      0.1920000     -0.1568000      0.2893000
  1 1 1       1  -11    9 o    5.367000      0.1398000       5.375000 0.2038000       5.360000      0.1915000      0.1465000E-01  0.2796000
  1 1 1       1  -11   10 o    16.18000      0.2296000       15.94000 0.3216000       16.42000      0.3277000     -0.4741000      0.4591000
  1 1 1       1  -11   11 o    11.17000      0.1755000       11.08000 0.2476000       11.25000      0.2487000     -0.1682000      0.3510000
  1 1 1       1  -11   12 o    3.283000      0.2125000       3.070000 0.3191000       3.496000      0.2807000     -0.4259000      0.4250000
  1 1 1       1  -11   13 o    6.112000      0.1612000       6.117000 0.2285000       6.106000      0.2273000      0.1095000E-01  0.3223000
  1 1 1       1  -11   14 o    7.386000      0.1620000       7.442000 0.2310000       7.331000      0.2271000      0.1108000      0.3239000
  1 1 1       1  -11   15 o    5.136000      0.1836000       5.329000 0.2508000       4.942000      0.2683000      0.3868000      0.3673000
  1 1 1       1  -11   16 o    8.128000      0.1736000       8.206000 0.2492000       8.050000      0.2419000      0.1555000      0.3473000
  1 1 1       1  -11   17 o    11.08000      0.1921000       11.00000 0.2739000       11.16000      0.2695000     -0.1597000      0.3843000
  1 1 1       1  -11   18 o    9.940000      0.1895000       9.812000 0.2668000       10.07000      0.2693000     -0.2553000      0.3790000
  1 1 1       1  -11   19 o    4.982000      0.2248000       5.011000 0.3084000       4.954000      0.3270000      0.5719000E-01  0.4495000
  1 1 1       1  -11   20 f    2.049000      0.4426000       2.039000 0.6043000       2.058000      0.6469000     -0.1924000E-01  0.8852000
  1 1 1       1  -11   21 f    16.90000      0.2568000       16.94000 0.3631000       16.87000      0.3634000      0.6943000E-01  0.5137000
  1 1 1       1  -11   22 f    6.531000      0.2206000       6.479000 0.3045000       6.584000      0.3192000     -0.1049000      0.4412000
  1 1 1       1  -11   23 o    6.418000      0.2261000       6.798000 0.2968000       6.038000      0.3411000      0.7609000      0.4521000
  1 1 1       1  -11   24 o    1.366000      0.4290000       1.178000 0.5467000       1.554000      0.6612000     -0.3761000      0.8579000
  1 1 1       1  -11   25 o    9.333000      0.2174000       9.262000 0.3051000       9.403000      0.3099000     -0.1406000      0.4348000
  1 1 1       1  -11   26 o    8.271000      0.2300000       8.602000 0.3144000       7.941000      0.3358000      0.6612000      0.4600000
  1 1 1       1  -11   27 o    2.308000      0.5345000       2.272000 0.7148000       2.344000      0.7949000     -0.7264000E-01   1.069000
  1 1 1       1  -11   28 o    6.585000      0.2694000       6.221000 0.3754000       6.948000      0.3866000     -0.7271000      0.5389000
  1 1 1       1  -11   29 o    3.903000      0.6738000       3.154000 1.104000       4.652000      0.7725000      -1.498000       1.348000
  1 1 1       1  -11   30 o    4.485000      0.6782000       4.454000 1.062000       4.516000      0.8442000     -0.6214000E-01   1.356000
  1 1 1       1  -11   31 o    1.980000      0.5430000       2.381000 0.8074000       1.580000      0.7264000      0.8014000       1.086000
  1 1 1       1  -11   32 o    2.151000      0.5604000       2.552000 0.8078000       1.750000      0.7769000      0.8020000       1.121000
  1 1 1       1  -11   33 o    3.248000      0.6839000       3.070000 0.9171000       3.425000       1.015000     -0.3550000       1.368000
  1 1 1       1  -11   34 o    2.989000      0.6812000       3.174000 0.9565000       2.804000      0.9702000      0.3705000       1.362000
  1 1 1       1  -11   35 o    3.351000      0.5479000       4.076000 0.6970000       2.625000      0.8456000       1.451000       1.096000
  1 1 1       1  -10    0 f    17.30000      0.3899000       17.11000 0.5901000       17.49000      0.5098000     -0.3784000      0.7798000
  1 1 1       1  -10    1 o    10.83000      0.4912000       11.00000 0.8795000       10.66000      0.4377000      0.3378000      0.9824000
  1 1 1       1  -10    3 o    8.839000      0.9622000       7.020000 1.866000       10.66000      0.4700000      -3.637000       1.924000
  1 1 1       1  -10    4 o    33.37000      0.6580000       32.13000 0.9218000       34.61000      0.9391000      -2.487000       1.316000
  1 1 1       1  -10    5 o    15.17000      0.3569000       15.96000 0.5666000       14.38000      0.4341000       1.581000      0.7138000
  1 1 1       1  -10    6 o    4.647000      0.2545000       4.859000 0.4001000       4.434000      0.3146000      0.4249000      0.5090000
  1 1 1       1  -10    7 o    9.863000      0.2285000       9.901000 0.3368000       9.826000      0.3089000      0.7512000E-01  0.4570000
  1 1 1       1  -10    8 o    17.07000      0.3342000       17.17000 0.4768000       16.96000      0.4684000      0.2137000      0.6684000
  1 1 1       1  -10    9 o    10.78000      0.2293000       10.58000 0.3198000       10.99000      0.3288000     -0.4078000      0.4587000
  1 1 1       1  -10   10 o    17.93000      0.3030000       17.56000 0.4868000       18.31000      0.3608000     -0.7459000      0.6059000
  1 1 1       1  -10   11 o    6.981000      0.2095000       6.981000 0.2095000                  ?              ?              ?              ?
  1 1 1       1  -10   12 o    1.815000      0.3329000       1.651000 0.4901000       1.979000      0.4507000     -0.3272000      0.6658000
  1 1 1       1  -10   13 o    8.402000      0.2291000                  ?       ?   8.402000      0.2291000                  ?              ?
  1 1 1       1  -10   14 o    7.180000      0.1651000       7.230000 0.2363000       7.130000      0.2306000      0.1000000      0.3302000
  1 1 1       1  -10   15 o    1.646000      0.3827000       1.745000 0.5280000       1.546000      0.5543000      0.1989000      0.7655000
  1 1 1       1  -10   16 o    6.687000      0.1750000       6.511000 0.2451000       6.864000      0.2499000     -0.3531000      0.3500000
  1 1 1       1  -10   17 o    8.509000      0.1759000       8.345000 0.2454000       8.673000      0.2520000     -0.3273000      0.3517000
  1 1 1       1  -10   18 o    7.622000      0.1871000       7.864000 0.2600000       7.379000      0.2690000      0.4843000      0.3741000
  1 1 1       1  -10   19 o    3.920000      0.2703000       3.568000 0.3951000       4.272000      0.3692000     -0.7039000      0.5407000
  1 1 1       1  -10   20 o    6.784000      0.2039000       6.790000 0.2790000       6.779000      0.2975000      0.1048000E-01  0.4079000
  1 1 1       1  -10   21 o    8.237000      0.1965000       7.994000 0.2698000       8.479000      0.2856000     -0.4849000      0.3929000
  1 1 1       1  -10   22 o    3.037000      0.3710000       2.633000 0.5725000       3.440000      0.4719000     -0.8069000      0.7419000
  1 1 1       1  -10   23 o    7.934000      0.2105000       7.916000 0.2931000       7.951000      0.3022000     -0.3529000E-01  0.4209000
  1 1 1       1  -10   24 o    7.862000      0.2197000       7.788000 0.3076000       7.935000      0.3136000     -0.1464000      0.4393000
  1 1 1       1  -10   25 f    14.09000      0.2408000       13.81000 0.3389000       14.37000      0.3421000     -0.5536000      0.4815000
  1 1 1       1  -10   26 o    4.984000      0.2980000       4.801000 0.4181000       5.167000      0.4248000     -0.3660000      0.5960000
  1 1 1       1  -10   27 o    3.934000      0.3892000       4.017000 0.5060000       3.852000      0.5916000      0.1643000      0.7785000
  1 1 1       1  -10   28 o    4.645000      0.3476000       4.458000 0.4911000       4.832000      0.4921000     -0.3748000      0.6952000
  1 1 1       1  -10   29 o    6.198000      0.2925000       6.027000 0.4086000       6.369000      0.4186000     -0.3421000      0.5849000
  1 1 1       1  -10   30 o    7.753000      0.4449000       7.613000 0.6980000       7.893000      0.5518000     -0.2794000      0.8897000
  1 1 1       1  -10   31 o    4.349000      0.6957000       5.600000 0.9367000       3.099000       1.029000       2.501000       1.391000
  1 1 1       1  -10   32 o    3.185000      0.5621000       2.672000 0.8248000       3.697000      0.7639000      -1.024000       1.124000
  1 1 1       1  -10   33 o    3.601000      0.5343000       3.778000 0.6856000       3.423000      0.8196000      0.3552000       1.069000
  1 1 1       1  -10   34 o    2.393000      0.6652000       1.984000 0.8453000       2.803000       1.027000     -0.8191000       1.330000
  1 1 1       1  -10   35 o    2.638000      0.6973000       2.603000 0.9552000       2.674000       1.016000     -0.7012000E-01   1.395000
  1 1 1       1  -10   36 o    2.102000      0.5808000       1.835000 0.7833000       2.368000      0.8577000     -0.5326000       1.162000
  1 1 1       1   -9    0 o    31.83000      0.4479000       31.83000 0.6233000       31.84000      0.6433000     -0.1487000E-01  0.8957000
  1 1 1       1   -9    1 o    18.29000      0.3188000       17.97000 0.4366000       18.62000      0.4647000     -0.6524000      0.6376000
  1 1 1       1   -9    2 o    6.386000      0.4632000       7.233000 0.3344000       5.539000      0.8639000       1.694000      0.9263000
  1 1 1       1   -9    3 o    17.54000      0.2823000       17.21000 0.4142000       17.87000      0.3838000     -0.6568000      0.5647000
  1 1 1       1   -9    4 f    12.85000      0.2055000       12.97000 0.3055000       12.73000      0.2748000      0.2423000      0.4110000
  1 1 1       1   -9    5 o    13.60000      0.2013000       13.80000 0.2947000       13.40000      0.2741000      0.4010000      0.4025000
  1 1 1       1   -9    6 f    16.36000      0.2293000       16.42000 0.3272000       16.30000      0.3212000      0.1212000      0.4585000
  1 1 1       1   -9    7 o    7.284000      0.1286000       7.131000 0.1846000       7.437000      0.1791000     -0.3065000      0.2572000
  1 1 1       1   -9    8 o    16.43000      0.2294000       16.42000 0.3256000       16.44000      0.3232000     -0.2657000E-01  0.4588000
  1 1 1       1   -9    9 o    8.818000      0.2053000       8.856000 0.2809000       8.780000      0.2995000      0.7546000E-01  0.4106000
  1 1 1       1   -9   10 o    10.07000      0.1598000       10.19000 0.2291000       9.955000      0.2228000      0.2311000      0.3196000
  1 1 1       1   -9   11 o    3.592000      0.2976000       3.592000 0.2976000                  ?              ?              ?              ?
  1 1 1       1   -9   12 o    3.925000      0.2396000       3.678000 0.3147000       4.172000      0.3615000     -0.4940000      0.4793000
  1 1 1       1   -9   13 o    8.617000      0.3212000                  ?       ?   8.617000      0.3212000                  ?              ?
  1 1 1       1   -9   14 o    2.847000      0.3476000       2.686000 0.4587000       3.007000      0.5224000     -0.3213000      0.6952000
  1 1 1       1   -9   15 o    7.876000      0.1682000       7.939000 0.2380000       7.813000      0.2378000      0.1269000      0.3365000
  1 1 1       1   -9   16 o    11.37000      0.1898000       11.30000 0.2687000       11.43000      0.2681000     -0.1266000      0.3796000
  1 1 1       1   -9   17 o    3.126000      0.3021000       3.438000 0.3541000       2.815000      0.4895000      0.6229000      0.6041000
  1 1 1       1   -9   18 o    16.12000      0.2418000       16.35000 0.3462000       15.90000      0.3378000      0.4502000      0.4837000
  1 1 1       1   -9   19 o    5.322000      0.2189000       5.652000 0.2890000       4.991000      0.3290000      0.6608000      0.4379000
  1 1 1       1   -9   20 f    8.949000      0.1943000       8.970000 0.2730000       8.927000      0.2765000      0.4341000E-01  0.3886000
  1 1 1       1   -9   21 o    4.580000      0.2574000       4.265000 0.3662000       4.895000      0.3618000     -0.6296000      0.5148000
  1 1 1       1   -9   22 o    2.457000      0.4382000       2.547000 0.5759000       2.368000      0.6606000      0.1790000      0.8763000
  1 1 1       1   -9   23 o    7.060000      0.2205000       6.833000 0.3101000       7.287000      0.3134000     -0.4537000      0.4409000
  1 1 1       1   -9   24 o    4.502000      0.2968000       3.994000 0.4381000       5.011000      0.4006000      -1.017000      0.5936000
  1 1 1       1   -9   25 o    13.34000      0.2336000       12.99000 0.3267000       13.68000      0.3339000     -0.6867000      0.4672000
  1 1 1       1   -9   26 o    4.580000      0.3067000       4.220000 0.4430000       4.940000      0.4242000     -0.7192000      0.6133000
  1 1 1       1   -9   27 f    5.845000      0.2697000       5.943000 0.3664000       5.747000      0.3958000      0.1968000      0.5393000
  1 1 1       1   -9   28 o    4.398000      0.3743000       4.716000 0.4727000       4.079000      0.5805000      0.6372000      0.7486000
  1 1 1       1   -9   29 o    13.58000      0.2547000       13.51000 0.3619000       13.66000      0.3584000     -0.1533000      0.5094000
  1 1 1       1   -9   30 o    10.42000      0.2527000       10.05000 0.3605000       10.80000      0.3542000     -0.7459000      0.5054000
  1 1 1       1   -9   31 o    6.354000      0.5877000       5.655000 1.001000       7.053000      0.6156000      -1.398000       1.175000
  1 1 1       1   -9   32 f    7.189000      0.4914000       6.686000 0.8076000       7.692000      0.5601000      -1.006000      0.9828000
  1 1 1       1   -9   33 o    4.084000      0.4528000       3.824000 0.6720000       4.345000      0.6072000     -0.5205000      0.9057000
  1 1 1       1   -9   34 o    2.424000      0.5952000       2.033000 0.8081000       2.814000      0.8740000     -0.7811000       1.190000
  1 1 1       1   -9   35 o    2.759000      0.6973000       2.257000 0.9070000       3.262000       1.059000      -1.004000       1.395000
  1 1 1       1   -9   36 o    3.818000      0.6514000       3.672000 0.9038000       3.964000      0.9383000     -0.2924000       1.303000
  1 1 1       1   -8    0 o    9.078000      0.5180000       9.919000 0.4124000       8.238000      0.9503000       1.681000       1.036000
  1 1 1       1   -8    1 o    10.82000      0.5661000       11.83000 0.4177000       9.807000       1.052000       2.022000       1.132000
  1 1 1       1   -8    2 o    6.547000      0.3833000       6.917000 0.3199000       6.176000      0.6966000      0.7411000      0.7666000
  1 1 1       1   -8    3 o    15.03000      0.3166000       14.74000 0.4193000       15.32000      0.4744000     -0.5804000      0.6331000
  1 1 1       1   -8    4 o    18.35000      0.3587000       18.15000 0.4976000       18.55000      0.5168000     -0.3999000      0.7175000
  1 1 1       1   -8    5 o    8.722000      0.1905000       9.031000 0.2741000       8.413000      0.2647000      0.6182000      0.3811000
  1 1 1       1   -8    7 o    23.83000      0.4578000       23.87000 0.6488000       23.79000      0.6460000      0.7546000E-01  0.9155000
  1 1 1       1   -8    8 o    22.50000      0.4349000       22.81000 0.6237000       22.20000      0.6064000      0.6061000      0.8699000
  1 1 1       1   -8    9 o    2.770000      0.3148000       2.843000 0.4796000       2.697000      0.4081000      0.1465000      0.6297000
  1 1 1       1   -8   10 o    10.33000      0.1624000       10.59000 0.2338000       10.07000      0.2255000      0.5217000      0.3248000
  1 1 1       1   -8   11 o    10.25000      0.1659000       10.40000 0.2379000       10.10000      0.2313000      0.2968000      0.3318000
  1 1 1       1   -8   12 o    9.294000      0.1621000       9.237000 0.2296000       9.351000      0.2288000     -0.1140000      0.3241000
  1 1 1       1   -8   13 o    4.258000      0.1827000       4.371000 0.2414000       4.146000      0.2743000      0.2251000      0.3654000
  1 1 1       1   -8   14 o    13.13000      0.2799000       13.11000 0.3911000       13.16000      0.4006000     -0.5302000E-01  0.5599000
  1 1 1       1   -8   15 o    6.368000      0.2294000       6.217000 0.3054000       6.520000      0.3424000     -0.3035000      0.4589000
  1 1 1       1   -8   16 o    13.56000      0.2924000       13.75000 0.4119000       13.37000      0.4150000      0.3800000      0.5847000
  1 1 1       1   -8   17 o    15.18000      0.2314000       14.97000 0.3236000       15.39000      0.3310000     -0.4241000      0.4629000
  1 1 1       1   -8   18 o    8.866000      0.1840000       8.587000 0.2582000       9.144000      0.2621000     -0.5568000      0.3679000
  1 1 1       1   -8   19 o    7.441000      0.1935000       7.407000 0.2698000       7.476000      0.2774000     -0.6901000E-01  0.3870000
  1 1 1       1   -8   20 o    6.587000      0.2055000       6.387000 0.2885000       6.788000      0.2927000     -0.4010000      0.4110000
  1 1 1       1   -8   21 o    11.80000      0.2094000       11.55000 0.2934000       12.06000      0.2988000     -0.5111000      0.4188000
  1 1 1       1   -8   22 o    9.959000      0.2062000       9.715000 0.2904000       10.20000      0.2930000     -0.4883000      0.4125000
  1 1 1       1   -8   23 o    6.257000      0.2272000       5.829000 0.3228000       6.686000      0.3197000     -0.8571000      0.4543000
  1 1 1       1   -8   24 o    11.18000      0.2184000       11.01000 0.3035000       11.35000      0.3142000     -0.3328000      0.4368000
  1 1 1       1   -8   25 f    7.172000      0.2254000       7.215000 0.3096000       7.130000      0.3277000      0.8563000E-01  0.4508000
  1 1 1       1   -8   26 o    7.967000      0.2300000       7.964000 0.3225000       7.970000      0.3281000     -0.6195000E-02  0.4600000
  1 1 1       1   -8   27 o    6.844000      0.2458000       6.356000 0.3499000       7.332000      0.3453000     -0.9756000      0.4916000
  1 1 1       1   -8   28 o    8.666000      0.2445000       8.706000 0.3384000       8.626000      0.3530000      0.7928000E-01  0.4890000
  1 1 1       1   -8   29 o    8.953000      0.2464000       8.976000 0.3429000       8.929000      0.3540000      0.4696000E-01  0.4928000
  1 1 1       1   -8   30 o    6.936000      0.2842000       6.739000 0.3940000       7.132000      0.4096000     -0.3932000      0.5683000
  1 1 1       1   -8   31 o    5.039000      0.3775000       4.871000 0.5344000       5.207000      0.5333000     -0.3356000      0.7550000
  1 1 1       1   -8   32 o    2.910000      0.7573000       3.000000 1.144000       2.820000      0.9926000      0.1801000       1.515000
  1 1 1       1   -8   33 o    3.074000      0.7540000       3.538000 1.156000       2.610000      0.9681000      0.9277000       1.508000
  1 1 1       1   -8   34 o    3.689000      0.5235000       2.996000 0.8141000       4.381000      0.6585000      -1.385000       1.047000
  1 1 1       1   -8   35 o    2.596000      0.5803000       2.901000 0.8155000       2.291000      0.8258000      0.6099000       1.161000
  1 1 1       1   -8   36 o    2.503000      0.6630000       2.921000 0.9578000       2.085000      0.9169000      0.8354000       1.326000
  1 1 1       1   -7    0 o    29.25000      0.4046000       29.50000 0.5720000       29.01000      0.5724000      0.4836000      0.8092000
  1 1 1       1   -7    1 o    6.769000      0.2464000       6.797000 0.3392000       6.742000      0.3576000      0.5489000E-01  0.4929000
  1 1 1       1   -7    2 o    22.64000      0.3965000       22.40000 0.4739000       22.88000      0.6358000     -0.4870000      0.7930000
  1 1 1       1   -7    3 o    5.294000      0.1676000       5.383000 0.2399000       5.205000      0.2341000      0.1783000      0.3351000
  1 1 1       1   -7    4 o    14.55000      0.2094000       14.61000 0.3022000       14.49000      0.2899000      0.1266000      0.4188000
  1 1 1       1   -7    5 o    18.10000      0.2480000       18.35000 0.3564000       17.84000      0.3451000      0.5100000      0.4961000
  1 1 1       1   -7    6 o    16.34000      0.2247000       16.36000 0.3185000       16.32000      0.3171000      0.3663000E-01  0.4495000
  1 1 1       1   -7    7 o    4.389000      0.1187000       4.295000 0.1703000       4.484000      0.1653000     -0.1897000      0.2373000
  1 1 1       1   -7    8 o    21.67000      0.2956000       21.73000 0.4196000       21.60000      0.4166000      0.1256000      0.5912000
  1 1 1       1   -7    9 f    2.260000      0.2268000       2.092000 0.3375000       2.429000      0.3031000     -0.3370000      0.4536000
  1 1 1       1   -7   10 o    11.18000      0.1717000       11.14000 0.2422000       11.22000      0.2435000     -0.7296000E-01  0.3435000
  1 1 1       1   -7   11 o    4.898000      0.2402000       4.707000 0.3701000       5.090000      0.3063000     -0.3831000      0.4804000
  1 1 1       1   -7   12 o    7.310000      0.2236000       7.347000 0.3291000       7.272000      0.3028000      0.7479000E-01  0.4472000
  1 1 1       1   -7   13 o    8.399000      0.1955000       8.468000 0.2224000       8.330000      0.3216000      0.1377000      0.3910000
  1 1 1       1   -7   14 o    8.384000      0.1646000       8.271000 0.2322000       8.496000      0.2333000     -0.2251000      0.3292000
  1 1 1       1   -7   15 o    10.05000      0.1770000       9.889000 0.2486000       10.22000      0.2520000     -0.3259000      0.3540000
  1 1 1       1   -7   16 o    7.617000      0.2350000       7.380000 0.3087000       7.854000      0.3545000     -0.4739000      0.4701000
  1 1 1       1   -7   17 o    10.47000      0.2573000       10.23000 0.3475000       10.71000      0.3796000     -0.4811000      0.5146000
  1 1 1       1   -7   18 o    5.698000      0.2261000       5.562000 0.3558000       5.835000      0.2792000     -0.2733000      0.4523000
  1 1 1       1   -7   19 o    7.578000      0.1891000       7.565000 0.2728000       7.592000      0.2621000     -0.2644000E-01  0.3783000
  1 1 1       1   -7   20 o    4.256000      0.2622000       4.202000 0.3572000       4.309000      0.3840000     -0.1064000      0.5244000
  1 1 1       1   -7   21 o    7.861000      0.2010000       7.857000 0.2786000       7.865000      0.2899000     -0.7871000E-02  0.4021000
  1 1 1       1   -7   22 o    8.393000      0.1998000       8.451000 0.2780000       8.335000      0.2870000      0.1159000      0.3996000
  1 1 1       1   -7   23 o    11.11000      0.2108000       10.96000 0.2963000       11.26000      0.2999000     -0.2942000      0.4216000
  1 1 1       1   -7   24 o    5.947000      0.2411000       6.137000 0.3180000       5.758000      0.3625000      0.3798000      0.4823000
  1 1 1       1   -7   25 o    4.806000      0.2838000       4.886000 0.3800000       4.726000      0.4216000      0.1601000      0.5676000
  1 1 1       1   -7   26 o    11.29000      0.2244000       11.30000 0.3147000       11.29000      0.3201000      0.3156000E-02  0.4489000
  1 1 1       1   -7   27 o    4.883000      0.3104000       4.284000 0.4736000       5.483000      0.4014000      -1.199000      0.6208000
  1 1 1       1   -7   28 o    9.861000      0.2323000       9.561000 0.3275000       10.16000      0.3296000     -0.6002000      0.4646000
  1 1 1       1   -7   29 o    6.147000      0.2932000       5.948000 0.4084000       6.346000      0.4207000     -0.3975000      0.5863000
  1 1 1       1   -7   30 o    6.232000      0.3021000       6.234000 0.4097000       6.230000      0.4441000      0.3497000E-02  0.6042000
  1 1 1       1   -7   31 o    13.99000      0.2610000       13.92000 0.3718000       14.07000      0.3666000     -0.1459000      0.5221000
  1 1 1       1   -7   32 o    5.614000      0.3633000       5.698000 0.5080000       5.529000      0.5196000      0.1695000      0.7267000
  1 1 1       1   -7   33 o    5.439000      0.6072000       5.237000 1.008000       5.640000      0.6767000     -0.4032000       1.214000
  1 1 1       1   -7   34 o    5.705000      0.3624000       5.759000 0.4977000       5.651000      0.5270000      0.1086000      0.7248000
  1 1 1       1   -7   35 o    1.999000      0.5606000       2.454000 0.8641000       1.544000      0.7146000      0.9095000       1.121000
  1 1 1       1   -7   36 o    2.919000      0.7133000       3.067000 0.9897000       2.771000       1.028000      0.2960000       1.427000
  1 1 1       1   -7   37 o    3.421000      0.6569000       4.283000 0.8652000       2.560000      0.9888000       1.724000       1.314000
  1 1 1       1   -6    0 o    25.44000      0.3523000       25.63000 0.4970000       25.26000      0.4995000      0.3693000      0.7047000
  1 1 1       1   -6    1 o    6.459000      0.2143000       6.283000 0.2998000       6.635000      0.3065000     -0.3518000      0.4287000
  1 1 1       1   -6    2 o    18.00000      0.2711000       18.21000 0.3964000       17.79000      0.3700000      0.4244000      0.5422000
  1 1 1       1   -6    3 o    28.55000      0.3875000       29.39000 0.5659000       27.71000      0.5294000       1.674000      0.7749000
  1 1 1       1   -6    4 o    10.59000      0.1871000       10.98000 0.3103000       10.21000      0.2092000      0.7670000      0.3742000
  1 1 1       1   -6    5 o    23.23000      0.3133000       23.10000 0.4414000       23.35000      0.4449000     -0.2527000      0.6267000
  1 1 1       1   -6    6 o    15.41000      0.2128000       15.16000 0.2965000       15.67000      0.3053000     -0.5089000      0.4256000
  1 1 1       1   -6    7 o    7.854000      0.1294000       7.930000 0.1841000       7.777000      0.1819000      0.1524000      0.2588000
  1 1 1       1   -6    8 o    8.583000      0.1408000       8.460000 0.1989000       8.706000      0.1994000     -0.2457000      0.2816000
  1 1 1       1   -6    9 o    13.22000      0.1915000       13.29000 0.2720000       13.15000      0.2696000      0.1360000      0.3830000
  1 1 1       1   -6   10 o    14.96000      0.2145000       14.95000 0.3023000       14.97000      0.3043000     -0.1863000E-01  0.4290000
  1 1 1       1   -6   11 o    6.496000      0.1865000       6.729000 0.3111000       6.263000      0.2059000      0.4654000      0.3730000
  1 1 1       1   -6   12 o    8.703000      0.1550000       8.745000 0.2215000       8.661000      0.2169000      0.8419000E-01  0.3100000
  1 1 1       1   -6   13 o    8.474000      0.2304000       8.472000 0.3348000       8.475000      0.3167000     -0.3058000E-02  0.4608000
  1 1 1       1   -6   14 o    8.693000      0.2361000       8.808000 0.3365000       8.578000      0.3311000      0.2299000      0.4721000
  1 1 1       1   -6   15 o    10.82000      0.1825000       10.89000 0.2610000       10.74000      0.2551000      0.1519000      0.3650000
  1 1 1       1   -6   16 o    10.39000      0.1821000       10.31000 0.2566000       10.47000      0.2584000     -0.1625000      0.3642000
  1 1 1       1   -6   17 o    9.384000      0.2126000       9.310000 0.3396000       9.459000      0.2558000     -0.1486000      0.4251000
  1 1 1       1   -6   18 o    8.100000      0.2515000       8.424000 0.3395000       7.776000      0.3710000      0.6477000      0.5029000
  1 1 1       1   -6   19 o    5.087000      0.3047000       5.690000 0.3539000       4.485000      0.4962000       1.205000      0.6094000
  1 1 1       1   -6   20 f    8.085000      0.1957000       7.967000 0.2708000       8.203000      0.2825000     -0.2359000      0.3913000
  1 1 1       1   -6   21 f    8.156000      0.2003000       7.865000 0.2790000       8.447000      0.2875000     -0.5822000      0.4006000
  1 1 1       1   -6   22 f    4.778000      0.2549000       4.898000 0.3412000       4.658000      0.3788000      0.2400000      0.5098000
  1 1 1       1   -6   23 o    11.53000      0.2144000       11.10000 0.2998000       11.95000      0.3067000     -0.8525000      0.4289000
  1 1 1       1   -6   24 o    9.668000      0.2106000       9.368000 0.2959000       9.969000      0.2998000     -0.6013000      0.4212000
  1 1 1       1   -6   25 o    12.72000      0.2261000       12.79000 0.3194000       12.65000      0.3200000      0.1476000      0.4521000
  1 1 1       1   -6   26 o    12.32000      0.2269000       12.29000 0.3189000       12.34000      0.3229000     -0.4472000E-01  0.4538000
  1 1 1       1   -6   27 o    8.488000      0.2278000       8.359000 0.3209000       8.616000      0.3234000     -0.2568000      0.4556000
  1 1 1       1   -6   28 o    2.660000      0.5082000       3.046000 0.6684000       2.273000      0.7657000      0.7737000       1.016000
  1 1 1       1   -6   29 o    1.896000      0.5223000       1.666000 0.7057000       2.125000      0.7701000     -0.4588000       1.045000
  1 1 1       1   -6   30 o    7.391000      0.2695000       7.454000 0.3755000       7.327000      0.3866000      0.1269000      0.5389000
  1 1 1       1   -6   31 o    8.781000      0.2600000       8.736000 0.3658000       8.825000      0.3696000     -0.8883000E-01  0.5201000
  1 1 1       1   -6   32 o    3.875000      0.4890000       4.288000 0.6132000       3.462000      0.7619000      0.8257000      0.9780000
  1 1 1       1   -6   33 o    7.918000      0.4506000       8.084000 0.7162000       7.751000      0.5470000      0.3332000      0.9012000
  1 1 1       1   -6   34 o    4.574000      0.6611000       4.917000 0.9708000       4.232000      0.8976000      0.6857000       1.322000
  1 1 1       1   -6   35 o    2.171000      0.5697000       1.721000 0.7584000       2.620000      0.8504000     -0.8991000       1.139000
  1 1 1       1   -6   36 o    3.691000      0.6939000       3.755000 0.9356000       3.627000       1.025000      0.1286000       1.388000
  1 1 1       1   -6   37 o    3.454000      0.6609000       4.120000 0.8716000       2.789000      0.9938000       1.331000       1.322000
  1 1 1       1   -5    0 o    28.19000      0.3846000       28.41000 0.5459000       27.98000      0.5418000      0.4251000      0.7691000
  1 1 1       1   -5    1 o    9.980000      0.1950000       9.694000 0.2680000       10.27000      0.2833000     -0.5737000      0.3899000
  1 1 1       1   -5    2 o    14.04000      0.2232000       14.09000 0.3271000       13.99000      0.3037000      0.9543000E-01  0.4463000
  1 1 1       1   -5    3 o    13.87000      0.1980000       14.13000 0.2889000       13.62000      0.2707000      0.5039000      0.3959000
  1 1 1       1   -5    4 o    13.88000      0.1916000       13.96000 0.2733000       13.80000      0.2687000      0.1607000      0.3833000
  1 1 1       1   -5    5 o    20.07000      0.2714000       20.23000 0.3871000       19.90000      0.3805000      0.3295000      0.5428000
  1 1 1       1   -5    6 o    15.32000      0.2117000       15.32000 0.2995000       15.32000      0.2992000     -0.7439000E-04  0.4233000
  1 1 1       1   -5    7 o    16.76000      0.2315000       16.71000 0.3263000       16.81000      0.3286000     -0.9654000E-01  0.4631000
  1 1 1       1   -5    8 o    4.038000      0.1327000       4.302000 0.1810000       3.774000      0.1941000      0.5287000      0.2654000
  1 1 1       1   -5    9 o    6.137000      0.1301000       6.151000 0.1832000       6.124000      0.1846000      0.2701000E-01  0.2601000
  1 1 1       1   -5   10 o    10.72000      0.1659000       10.75000 0.2341000       10.68000      0.2353000      0.7416000E-01  0.3319000
  1 1 1       1   -5   11 o    9.570000      0.1585000       9.665000 0.2230000       9.474000      0.2254000      0.1914000      0.3171000
  1 1 1       1   -5   12 o    6.949000      0.2068000       6.949000 0.2068000                  ?              ?              ?              ?
  1 1 1       1   -5   13 o    9.879000      0.1674000       9.798000 0.2336000       9.960000      0.2398000     -0.1612000      0.3348000
  1 1 1       1   -5   14 o    14.20000      0.3015000                  ?       ?   14.20000      0.3015000                  ?              ?
  1 1 1       1   -5   15 o    4.133000      0.3120000       4.166000 0.4607000       4.099000      0.4209000      0.6714000E-01  0.6241000
  1 1 1       1   -5   16 o    12.05000      0.2785000       11.85000 0.3971000       12.25000      0.3907000     -0.3985000      0.5571000
  1 1 1       1   -5   17 o    1.509000      0.3922000       1.264000 0.5329000       1.755000      0.5755000     -0.4903000      0.7844000
  1 1 1       1   -5   18 o    4.972000      0.2484000       4.821000 0.2985000       5.124000      0.3971000     -0.3026000      0.4968000
  1 1 1       1   -5   19 o    6.008000      0.2710000       5.451000 0.3693000       6.564000      0.3967000      -1.113000      0.5420000
  1 1 1       1   -5   20 o    1.715000      0.4193000       1.334000 0.5618000       2.095000      0.6225000     -0.7608000      0.8386000
  1 1 1       1   -5   21 o    5.125000      0.2383000       5.265000 0.3175000       4.984000      0.3555000      0.2812000      0.4766000
  1 1 1       1   -5   22 o    4.140000      0.3277000       4.828000 0.4438000       3.452000      0.4822000       1.376000      0.6554000
  1 1 1       1   -5   23 o    5.088000      0.2512000       5.225000 0.3467000       4.950000      0.3635000      0.2749000      0.5024000
  1 1 1       1   -5   24 o    9.626000      0.2123000       9.598000 0.3023000       9.654000      0.2982000     -0.5611000E-01  0.4246000
  1 1 1       1   -5   25 o    6.246000      0.2417000       6.158000 0.3366000       6.335000      0.3469000     -0.1768000      0.4833000
  1 1 1       1   -5   26 o    11.09000      0.2217000       11.05000 0.3122000       11.12000      0.3150000     -0.7819000E-01  0.4435000
  1 1 1       1   -5   27 o    2.906000      0.4690000       2.932000 0.6411000       2.881000      0.6846000      0.5139000E-01  0.9379000
  1 1 1       1   -5   28 o    2.608000      0.5230000       2.719000 0.7159000       2.497000      0.7626000      0.2214000       1.046000
  1 1 1       1   -5   29 o    4.829000      0.3394000       4.939000 0.4497000       4.719000      0.5086000      0.2197000      0.6789000
  1 1 1       1   -5   30 o    7.852000      0.2600000       7.613000 0.3682000       8.092000      0.3672000     -0.4791000      0.5200000
  1 1 1       1   -5   31 o    2.522000      0.5070000       1.680000 0.7207000       3.364000      0.7134000      -1.684000       1.014000
  1 1 1       1   -5   32 o    5.820000      0.3366000       5.777000 0.4793000       5.862000      0.4727000     -0.8468000E-01  0.6732000
  1 1 1       1   -5   33 o    2.637000      0.7212000       2.714000 1.074000       2.560000      0.9627000      0.1537000       1.442000
  1 1 1       1   -5   34 o    8.717000      0.4088000       8.579000 0.6315000       8.856000      0.5194000     -0.2764000      0.8177000
  1 1 1       1   -5   35 o    6.335000      0.3270000       6.537000 0.4538000       6.132000      0.4708000      0.4044000      0.6539000
  1 1 1       1   -5   36 o    1.910000      0.5545000       1.720000 0.7513000       2.101000      0.8156000     -0.3809000       1.109000
  1 1 1       1   -5   37 o    5.175000      0.5505000       6.232000 0.5934000       4.119000      0.9274000       2.113000       1.101000
  1 1 1       1   -4    0 o    19.79000      0.3330000       19.23000 0.3736000       20.34000      0.5514000      -1.108000      0.6660000
  1 1 1       1   -4    1 o    20.00000      0.3403000       19.94000 0.4031000       20.07000      0.5484000     -0.1324000      0.6806000
  1 1 1       1   -4    2 o    12.70000      0.1974000       12.41000 0.2830000       12.99000      0.2752000     -0.5827000      0.3948000
  1 1 1       1   -4    3 o    15.68000      0.2631000       15.98000 0.4333000       15.39000      0.2986000      0.5863000      0.5262000
  1 1 1       1   -4    4 o    22.62000      0.3039000       22.87000 0.4348000       22.36000      0.4247000      0.5056000      0.6078000
  1 1 1       1   -4    5 f    16.46000      0.2247000       16.38000 0.3163000       16.55000      0.3193000     -0.1692000      0.4494000
  1 1 1       1   -4    6 o    25.25000      0.3408000       25.14000 0.4800000       25.36000      0.4839000     -0.2242000      0.6816000
  1 1 1       1   -4    7 o    4.838000      0.1152000       4.816000 0.1627000       4.859000      0.1632000     -0.4249000E-01  0.2304000
  1 1 1       1   -4    8 o    6.310000      0.1234000       6.337000 0.1743000       6.284000      0.1747000      0.5287000E-01  0.2468000
  1 1 1       1   -4    9 o    15.06000      0.2124000       15.34000 0.3050000       14.78000      0.2955000      0.5653000      0.4247000
  1 1 1       1   -4   10 o    19.15000      0.2649000       18.98000 0.3715000       19.32000      0.3776000     -0.3428000      0.5297000
  1 1 1       1   -4   11 o    11.77000      0.1782000       11.70000 0.2501000       11.84000      0.2539000     -0.1416000      0.3564000
  1 1 1       1   -4   12 o    13.57000      0.2829000       13.57000 0.2829000                  ?              ?              ?              ?
  1 1 1       1   -4   13 o    8.406000      0.1564000       8.329000 0.2215000       8.483000      0.2207000     -0.1540000      0.3127000
  1 1 1       1   -4   14 o    5.369000      0.2386000                  ?       ?   5.369000      0.2386000                  ?              ?
  1 1 1       1   -4   15 o    3.440000      0.2296000       3.530000 0.3161000       3.351000      0.3330000      0.1786000      0.4591000
  1 1 1       1   -4   16 o    9.604000      0.2518000       8.977000 0.3587000       10.23000      0.3536000      -1.254000      0.5037000
  1 1 1       1   -4   17 o    11.37000      0.1914000       11.49000 0.2717000       11.25000      0.2696000      0.2439000      0.3827000
  1 1 1       1   -4   18 o    2.436000      0.3538000       1.649000 0.5765000       3.223000      0.4102000      -1.574000      0.7076000
  1 1 1       1   -4   19 o    4.728000      0.3164000       5.127000 0.3826000       4.330000      0.5040000      0.7971000      0.6328000
  1 1 1       1   -4   20 o    9.225000      0.2710000       9.893000 0.3729000       8.558000      0.3933000       1.335000      0.5419000
  1 1 1       1   -4   21 f    2.763000      0.3810000       2.153000 0.6021000       3.372000      0.4668000      -1.219000      0.7619000
  1 1 1       1   -4   22 o    2.021000      0.4547000       2.167000 0.6349000       1.874000      0.6512000      0.2931000      0.9095000
  1 1 1       1   -4   23 o    2.490000      0.4420000       2.150000 0.6605000       2.830000      0.5875000     -0.6809000      0.8840000
  1 1 1       1   -4   24 o    6.598000      0.2255000       6.594000 0.3147000       6.601000      0.3231000     -0.6706000E-02  0.4510000
  1 1 1       1   -4   25 o    3.352000      0.3881000       3.155000 0.5688000       3.550000      0.5282000     -0.3945000      0.7762000
  1 1 1       1   -4   26 o    6.827000      0.2330000       6.690000 0.3252000       6.963000      0.3337000     -0.2726000      0.4660000
  1 1 1       1   -4   27 o    4.209000      0.3270000       4.268000 0.4331000       4.150000      0.4901000      0.1187000      0.6541000
  1 1 1       1   -4   28 o    8.557000      0.2324000       8.305000 0.3250000       8.809000      0.3323000     -0.5042000      0.4648000
  1 1 1       1   -4   29 o    7.211000      0.2550000       7.474000 0.3432000       6.947000      0.3773000      0.5276000      0.5100000
  1 1 1       1   -4   30 o    2.058000      0.5438000       1.823000 0.7391000       2.292000      0.7978000     -0.4686000       1.088000
  1 1 1       1   -4   31 o    5.987000      0.3213000       6.252000 0.4329000       5.723000      0.4748000      0.5286000      0.6425000
  1 1 1       1   -4   32 o    4.009000      0.4523000       3.624000 0.6711000       4.394000      0.6066000     -0.7700000      0.9046000
  1 1 1       1   -4   33 o    4.361000      0.6515000       3.913000 1.071000       4.809000      0.7424000     -0.8964000       1.303000
  1 1 1       1   -4   34 o    3.486000      0.7198000       3.900000 1.054000       3.072000      0.9808000      0.8287000       1.440000
  1 1 1       1   -4   35 o    9.595000      0.2713000       9.789000 0.3829000       9.402000      0.3846000      0.3875000      0.5427000
  1 1 1       1   -4   36 o    2.650000      0.6025000       2.580000 0.8567000       2.719000      0.8476000     -0.1388000       1.205000
  1 1 1       1   -4   37 f    4.784000      0.5723000       4.313000 0.8794000       5.255000      0.7326000     -0.9424000       1.145000
  1 1 1       1   -3    0 o    2.741000      0.1124000       2.717000 0.1586000       2.765000      0.1592000     -0.4781000E-01  0.2247000
  1 1 1       1   -3    1 o    6.577000      0.1483000       6.530000 0.2123000       6.625000      0.2070000     -0.9557000E-01  0.2966000
  1 1 1       1   -3    2 o    12.80000      0.2204000       13.08000 0.2711000       12.51000      0.3477000      0.5664000      0.4408000
  1 1 1       1   -3    3 o    20.70000      0.2783000       20.56000 0.3914000       20.85000      0.3958000     -0.2835000      0.5567000
  1 1 1       1   -3    4 o    23.43000      0.3145000       23.30000 0.4421000       23.56000      0.4474000     -0.2609000      0.6290000
  1 1 1       1   -3    5 o    19.85000      0.3254000       20.55000 0.3930000       19.14000      0.5188000       1.413000      0.6508000
  1 1 1       1   -3    6 o    24.02000      0.3239000       24.27000 0.4626000       23.78000      0.4534000      0.4905000      0.6478000
  1 1 1       1   -3    7 o    3.233000      0.1251000       3.238000 0.1716000       3.228000      0.1821000      0.9906000E-02  0.2502000
  1 1 1       1   -3    8 o    3.912000      0.1692000       3.894000 0.2339000       3.929000      0.2445000     -0.3514000E-01  0.3383000
  1 1 1       1   -3    9 o    32.01000      0.4313000       32.14000 0.6121000       31.88000      0.6078000      0.2637000      0.8625000
  1 1 1       1   -3   10 o    18.97000      0.2619000       19.07000 0.3717000       18.88000      0.3690000      0.1872000      0.5238000
  1 1 1       1   -3   11 f    5.907000      0.1353000       6.011000 0.1893000       5.803000      0.1932000      0.2083000      0.2705000
  1 1 1       1   -3   12 o    11.94000      0.1811000       11.96000 0.2556000       11.91000      0.2567000      0.4805000E-01  0.3622000
  1 1 1       1   -3   13 o    24.21000      0.3325000       24.51000 0.4752000       23.91000      0.4651000      0.6022000      0.6649000
  1 1 1       1   -3   14 o    11.48000      0.1817000       11.55000 0.2575000       11.41000      0.2563000      0.1395000      0.3633000
  1 1 1       1   -3   15 o    9.166000      0.1671000       9.289000 0.2368000       9.042000      0.2358000      0.2470000      0.3342000
  1 1 1       1   -3   16 o    3.242000      0.3621000       3.131000 0.5498000       3.354000      0.4714000     -0.2233000      0.7242000
  1 1 1       1   -3   17 o    9.269000      0.2469000       9.317000 0.3572000       9.222000      0.3410000      0.9486000E-01  0.4938000
  1 1 1       1   -3   18 o    6.937000      0.1793000       6.828000 0.2485000       7.047000      0.2586000     -0.2184000      0.3586000
  1 1 1       1   -3   19 o    6.478000      0.1893000       6.441000 0.2663000       6.515000      0.2692000     -0.7443000E-01  0.3786000
  1 1 1       1   -3   20 o    10.63000      0.2779000       10.65000 0.3831000       10.61000      0.4026000      0.3365000E-01  0.5558000
  1 1 1       1   -3   21 o    10.58000      0.1987000       10.76000 0.2815000       10.40000      0.2805000      0.3524000      0.3974000
  1 1 1       1   -3   22 f    5.167000      0.2369000       5.516000 0.3159000       4.819000      0.3532000      0.6970000      0.4739000
  1 1 1       1   -3   23 o    1.653000      0.4528000       1.796000 0.6511000       1.510000      0.6295000      0.2860000      0.9057000
  1 1 1       1   -3   24 o    7.003000      0.2202000       7.245000 0.3075000       6.761000      0.3152000      0.4837000      0.4403000
  1 1 1       1   -3   25 o    10.33000      0.2130000       10.00000 0.2963000       10.65000      0.3060000     -0.6486000      0.4259000
  1 1 1       1   -3   26 o    7.989000      0.2224000       7.873000 0.3168000       8.106000      0.3122000     -0.2326000      0.4448000
  1 1 1       1   -3   27 o    9.186000      0.2237000       9.096000 0.3121000       9.276000      0.3206000     -0.1798000      0.4474000
  1 1 1       1   -3   28 o    16.15000      0.2611000       16.21000 0.3686000       16.09000      0.3698000      0.1139000      0.5221000
  1 1 1       1   -3   29 o    2.592000      0.5086000       2.611000 0.7124000       2.572000      0.7260000      0.3953000E-01   1.017000
  1 1 1       1   -3   30 o    2.498000      0.5387000       2.260000 0.7677000       2.736000      0.7559000     -0.4757000       1.077000
  1 1 1       1   -3   31 o    7.397000      0.2721000       7.444000 0.3783000       7.350000      0.3913000      0.9360000E-01  0.5442000
  1 1 1       1   -3   32 o    5.811000      0.3296000       5.639000 0.4802000       5.983000      0.4514000     -0.3439000      0.6591000
  1 1 1       1   -3   33 o    2.812000      0.5844000       3.112000 0.8108000       2.511000      0.8417000      0.6009000       1.169000
  1 1 1       1   -3   34 o    4.130000      0.6491000       3.957000 1.044000       4.304000      0.7724000     -0.3470000       1.298000
  1 1 1       1   -3   35 o    2.117000      0.5599000       2.613000 0.8476000       1.622000      0.7317000      0.9912000       1.120000
  1 1 1       1   -3   36 o    6.345000      0.3272000       6.632000 0.4560000       6.058000      0.4694000      0.5734000      0.6545000
  1 1 1       1   -3   37 o    4.442000      0.6245000       4.645000 0.8294000       4.238000      0.9340000      0.4068000       1.249000
  1 1 1       1   -3   38 o    3.373000      0.6253000       3.651000 0.9893000       3.094000      0.7649000      0.5575000       1.251000
  1 1 1       1   -2    0 o    5.855000      0.1113000       6.035000 0.1831000       5.676000      0.1265000      0.3586000      0.2225000
  1 1 1       1   -2    1 o    27.91000      0.4560000       27.23000 0.7309000       28.60000      0.5455000      -1.369000      0.9121000
  1 1 1       1   -2    2 o    6.201000      0.1320000       6.110000 0.1820000       6.292000      0.1912000     -0.1828000      0.2639000
  1 1 1       1   -2    3 o    26.05000      0.4935000                  ?       ?   26.05000      0.4935000                  ?              ?
  1 1 1       1   -2    4 o    15.40000      0.2098000       15.47000 0.2981000       15.34000      0.2953000      0.1297000      0.4195000
  1 1 1       1   -2    5 o    12.02000      0.1675000       12.00000 0.2361000       12.03000      0.2377000     -0.3241000E-01  0.3350000
  1 1 1       1   -2    6 f    19.07000      0.2588000       18.97000 0.3641000       19.18000      0.3680000     -0.2033000      0.5176000
  1 1 1       1   -2    7 o    22.36000      0.3025000       22.52000 0.4309000       22.20000      0.4248000      0.3231000      0.6050000
  1 1 1       1   -2    8 o    11.14000      0.1980000       10.87000 0.3197000       11.42000      0.2339000     -0.5536000      0.3961000
  1 1 1       1   -2    9 o    15.16000      0.2128000       15.12000 0.2998000       15.20000      0.3021000     -0.7838000E-01  0.4256000
  1 1 1       1   -2   10 o    12.45000      0.1811000       12.51000 0.2568000       12.39000      0.2555000      0.1249000      0.3623000
  1 1 1       1   -2   11 o    6.041000      0.1610000       6.271000 0.1855000       5.812000      0.2632000      0.4587000      0.3220000
  1 1 1       1   -2   12 o    7.681000      0.1427000       7.836000 0.2012000       7.526000      0.2023000      0.3095000      0.2853000
  1 1 1       1   -2   13 o    19.63000      0.2738000       19.64000 0.3874000       19.62000      0.3870000      0.2711000E-01  0.5476000
  1 1 1       1   -2   14 o    7.269000      0.1521000       7.312000 0.2128000       7.226000      0.2175000      0.8594000E-01  0.3043000
  1 1 1       1   -2   15 o    17.78000      0.2543000       17.86000 0.3607000       17.71000      0.3587000      0.1412000      0.5087000
  1 1 1       1   -2   16 o    16.07000      0.2357000       16.40000 0.3392000       15.75000      0.3273000      0.6534000      0.4713000
  1 1 1       1   -2   17 o    8.463000      0.2393000       8.484000 0.3465000       8.442000      0.3302000      0.4130000E-01  0.4786000
  1 1 1       1   -2   18 o    4.726000      0.2069000       4.772000 0.2887000       4.680000      0.2965000      0.9129000E-01  0.4138000
  1 1 1       1   -2   19 o    7.505000      0.1808000       7.637000 0.2562000       7.374000      0.2553000      0.2629000      0.3617000
  1 1 1       1   -2   20 o    10.83000      0.2773000       11.13000 0.3925000       10.53000      0.3919000      0.6047000      0.5547000
  1 1 1       1   -2   21 o    7.453000      0.1954000       7.602000 0.2755000       7.304000      0.2772000      0.2983000      0.3908000
  1 1 1       1   -2   22 o    2.628000      0.4071000       2.429000 0.6034000       2.826000      0.5466000     -0.3971000      0.8142000
  1 1 1       1   -2   23 o    2.434000      0.4354000       2.736000 0.5595000       2.132000      0.6673000      0.6032000      0.8708000
  1 1 1       1   -2   24 o    8.139000      0.2074000       8.294000 0.2944000       7.984000      0.2921000      0.3104000      0.4147000
  1 1 1       1   -2   25 o    14.16000      0.2351000       14.50000 0.3377000       13.82000      0.3273000      0.6737000      0.4703000
  1 1 1       1   -2   26 o    11.06000      0.2176000       11.25000 0.3073000       10.87000      0.3083000      0.3828000      0.4352000
  1 1 1       1   -2   27 o    9.156000      0.2183000       9.288000 0.3089000       9.025000      0.3085000      0.2627000      0.4365000
  1 1 1       1   -2   28 o    12.92000      0.2355000       12.73000 0.3303000       13.11000      0.3357000     -0.3733000      0.4710000
  1 1 1       1   -2   29 o    4.391000      0.3454000       4.340000 0.4861000       4.441000      0.4908000     -0.1016000      0.6907000
  1 1 1       1   -2   30 o    3.300000      0.4683000       3.462000 0.6337000       3.138000      0.6895000      0.3248000      0.9365000
  1 1 1       1   -2   31 o    5.185000      0.3307000       5.103000 0.4656000       5.266000      0.4697000     -0.1626000      0.6613000
  1 1 1       1   -2   32 f    3.527000      0.4981000       3.240000 0.7525000       3.815000      0.6529000     -0.5750000      0.9963000
  1 1 1       1   -2   33 o    3.282000      0.6917000       3.200000 1.048000       3.364000      0.9033000     -0.1640000       1.383000
  1 1 1       1   -2   34 o    5.412000      0.5276000       5.348000 0.8324000       5.475000      0.6485000     -0.1277000       1.055000
  1 1 1       1   -2   35 o    6.296000      0.3114000       6.224000 0.4476000       6.368000      0.4330000     -0.1442000      0.6228000
  1 1 1       1   -2   36 o    4.681000      0.4134000       4.595000 0.5974000       4.766000      0.5716000     -0.1701000      0.8268000
  1 1 1       1   -2   37 o    3.795000      0.6850000       3.980000 0.9459000       3.609000      0.9909000      0.3706000       1.370000
  1 1 1       1   -2   38 o    3.258000      0.5432000       3.536000 0.7315000       2.980000      0.8033000      0.5567000       1.086000
  1 1 1       1   -1    3 o    22.64000      0.4285000                  ?       ?   22.64000      0.4285000                  ?              ?
  1 1 1       1   -1    4 f    16.19000      0.2666000       15.80000 0.4288000       16.57000      0.3170000     -0.7679000      0.5333000
  1 1 1       1   -1    5 o    6.345000      0.1431000       6.309000 0.2020000       6.381000      0.2027000     -0.7248000E-01  0.2861000
  1 1 1       1   -1    6 o    5.432000      0.9665000E-01   5.348000 0.1354000       5.516000      0.1379000     -0.1676000      0.1933000
  1 1 1       1   -1    7 o    15.00000      0.2073000       15.12000 0.2955000       14.88000      0.2908000      0.2410000      0.4146000
  1 1 1       1   -1    8 o    18.82000      0.2569000       19.14000 0.3692000       18.49000      0.3572000      0.6521000      0.5137000
  1 1 1       1   -1    9 o    6.704000      0.1496000       6.337000 0.1692000       7.070000      0.2468000     -0.7332000      0.2993000
  1 1 1       1   -1   10 o    10.08000      0.1537000       9.909000 0.2149000       10.24000      0.2197000     -0.3345000      0.3073000
  1 1 1       1   -1   11 o    12.40000      0.1823000       12.29000 0.2559000       12.50000      0.2596000     -0.2132000      0.3646000
  1 1 1       1   -1   12 o    29.85000      0.4039000       29.73000 0.5688000       29.98000      0.5736000     -0.2493000      0.8078000
  1 1 1       1   -1   13 o    8.514000      0.2130000       8.514000 0.2130000                  ?              ?              ?              ?
  1 1 1       1   -1   14 o    9.193000      0.1601000       9.416000 0.2278000       8.971000      0.2251000      0.4447000      0.3202000
  1 1 1       1   -1   16 o    17.42000      0.2506000       17.32000 0.3533000       17.51000      0.3556000     -0.1849000      0.5013000
  1 1 1       1   -1   17 o    7.201000      0.2326000       7.143000 0.3386000       7.259000      0.3189000     -0.1162000      0.4652000
  1 1 1       1   -1   18 o    15.43000      0.2315000       15.45000 0.3272000       15.42000      0.3275000      0.2286000E-01  0.4630000
  1 1 1       1   -1   19 o    15.18000      0.2308000       15.32000 0.3283000       15.04000      0.3244000      0.2853000      0.4615000
  1 1 1       1   -1   20 o    15.38000      0.3349000       15.80000 0.4790000       14.95000      0.4682000      0.8517000      0.6698000
  1 1 1       1   -1   21 o    11.24000      0.2007000       11.38000 0.2857000       11.11000      0.2820000      0.2686000      0.4014000
  1 1 1       1   -1   22 o    6.170000      0.2114000       6.209000 0.2949000       6.131000      0.3030000      0.7748000E-01  0.4228000
  1 1 1       1   -1   23 o    5.345000      0.2345000       5.522000 0.3216000       5.167000      0.3413000      0.3558000      0.4689000
  1 1 1       1   -1   24 o    9.585000      0.2039000       9.425000 0.2880000       9.745000      0.2886000     -0.3200000      0.4077000
  1 1 1       1   -1   25 o    13.40000      0.2283000       13.19000 0.3196000       13.61000      0.3261000     -0.4216000      0.4566000
  1 1 1       1   -1   26 o    14.83000      0.2435000       14.60000 0.3406000       15.05000      0.3480000     -0.4482000      0.4870000
  1 1 1       1   -1   27 o    5.609000      0.2588000       5.304000 0.3820000       5.915000      0.3494000     -0.6114000      0.5177000
  1 1 1       1   -1   28 o    8.993000      0.2237000       9.136000 0.3123000       8.850000      0.3204000      0.2865000      0.4474000
  1 1 1       1   -1   29 o    6.324000      0.2624000       5.915000 0.3833000       6.733000      0.3585000     -0.8180000      0.5248000
  1 1 1       1   -1   30 o    3.640000      0.4188000       3.844000 0.5624000       3.436000      0.6208000      0.4087000      0.8376000
  1 1 1       1   -1   31 o    1.950000      0.5215000       2.325000 0.7878000       1.575000      0.6836000      0.7502000       1.043000
  1 1 1       1   -1   32 o    8.967000      0.2506000       8.993000 0.3562000       8.942000      0.3527000      0.5075000E-01  0.5013000
  1 1 1       1   -1   33 o    5.672000      0.4552000       5.458000 0.7245000       5.887000      0.5514000     -0.4292000      0.9105000
  1 1 1       1   -1   34 o    2.828000      0.6367000       3.653000 0.9714000       2.003000      0.8233000       1.650000       1.273000
  1 1 1       1   -1   35 o    10.16000      0.2555000       10.24000 0.3643000       10.07000      0.3584000      0.1665000      0.5110000
  1 1 1       1   -1   36 o    4.018000      0.6851000       4.005000 0.8976000       4.030000       1.035000     -0.2507000E-01   1.370000
  1 1 1       1   -1   37 o    3.272000      0.7083000       3.695000 0.9893000       2.849000       1.014000      0.8454000       1.417000
  1 1 1       1   -1   38 o    2.479000      0.5573000       3.025000 0.7860000       1.932000      0.7903000       1.093000       1.115000
  1 1 1       1    0    3 o    24.01000      0.6425000                  ?       ?   24.01000      0.6425000                  ?              ?
  1 1 1       1    0    4 o    10.73000      0.1792000       10.34000 0.2864000       11.12000      0.2156000     -0.7865000      0.3585000
  1 1 1       1    0    5 o    21.49000      0.3570000       21.95000 0.5914000       21.03000      0.4002000      0.9239000      0.7141000
  1 1 1       1    0    6 o    13.06000      0.1807000       13.03000 0.2550000       13.09000      0.2562000     -0.5491000E-01  0.3614000
  1 1 1       1    0    7 o    8.069000      0.1234000       8.035000 0.1736000       8.102000      0.1754000     -0.6675000E-01  0.2467000
  1 1 1       1    0    8 o    11.22000      0.1615000       11.16000 0.2271000       11.28000      0.2296000     -0.1173000      0.3230000
  1 1 1       1    0    9 f    10.96000      0.1608000       10.99000 0.2281000       10.93000      0.2267000      0.5956000E-01  0.3216000
  1 1 1       1    0   10 o    16.11000      0.2249000       16.13000 0.3181000       16.09000      0.3180000      0.3765000E-01  0.4498000
  1 1 1       1    0   11 o    5.053000      0.1292000       5.211000 0.1786000       4.896000      0.1867000      0.3146000      0.2584000
  1 1 1       1    0   12 o    19.91000      0.2757000       19.84000 0.3883000       19.99000      0.3915000     -0.1506000      0.5513000
  1 1 1       1    0   13 o    7.908000      0.2079000       7.908000 0.2079000                  ?              ?              ?              ?
  1 1 1       1    0   14 o    7.781000      0.1507000       8.049000 0.2125000       7.513000      0.2137000      0.5362000      0.3014000
  1 1 1       1    0   16 o    11.08000      0.1808000       11.42000 0.2604000       10.75000      0.2509000      0.6670000      0.3616000
  1 1 1       1    0   17 o    4.197000      0.2760000       4.383000 0.3829000       4.010000      0.3976000      0.3731000      0.5520000
  1 1 1       1    0   18 o    1.766000      0.3978000       1.662000 0.5588000       1.871000      0.5662000     -0.2097000      0.7955000
  1 1 1       1    0   19 o    8.017000      0.1787000       8.081000 0.2485000       7.954000      0.2569000      0.1274000      0.3574000
  1 1 1       1    0   20 o    8.404000      0.2657000       8.483000 0.3662000       8.324000      0.3850000      0.1591000      0.5313000
  1 1 1       1    0   21 o    9.914000      0.1927000       9.947000 0.2740000       9.881000      0.2709000      0.6591000E-01  0.3853000
  1 1 1       1    0   22 o    11.22000      0.2040000       11.14000 0.2866000       11.30000      0.2905000     -0.1665000      0.4080000
  1 1 1       1    0   23 o    2.116000      0.4422000       1.870000 0.6442000       2.363000      0.6060000     -0.4932000      0.8844000
  1 1 1       1    0   24 o    5.139000      0.2391000       5.617000 0.3234000       4.661000      0.3522000      0.9554000      0.4782000
  1 1 1       1    0   25 o    6.265000      0.2222000       6.091000 0.3162000       6.438000      0.3121000     -0.3471000      0.4443000
  1 1 1       1    0   26 o    8.325000      0.2119000       8.385000 0.2971000       8.265000      0.3022000      0.1192000      0.4238000
  1 1 1       1    0   27 f    3.892000      0.3385000       3.525000 0.5155000       4.260000      0.4390000     -0.7355000      0.6771000
  1 1 1       1    0   28 o    6.902000      0.2370000       7.205000 0.3222000       6.599000      0.3477000      0.6063000      0.4741000
  1 1 1       1    0   29 o    10.64000      0.2266000       10.53000 0.3205000       10.75000      0.3205000     -0.2235000      0.4533000
  1 1 1       1    0   30 o    3.539000      0.4309000       3.356000 0.6475000       3.722000      0.5689000     -0.3663000      0.8619000
  1 1 1       1    0   31 o    5.176000      0.3263000       5.138000 0.4668000       5.215000      0.4560000     -0.7693000E-01  0.6525000
  1 1 1       1    0   32 o    3.572000      0.4699000       3.410000 0.6978000       3.735000      0.6294000     -0.3259000      0.9397000
  1 1 1       1    0   33 o    12.11000      0.3575000       12.15000 0.5309000       12.07000      0.4789000      0.7627000E-01  0.7150000
  1 1 1       1    0   34 o    10.96000      0.2540000       10.67000 0.3561000       11.26000      0.3622000     -0.5874000      0.5079000
  1 1 1       1    0   35 o    8.174000      0.2709000       8.106000 0.3846000       8.242000      0.3816000     -0.1352000      0.5418000
  1 1 1       1    0   36 o    3.051000      0.7123000       3.502000 0.9902000       2.600000       1.024000      0.9025000       1.425000
  1 1 1       1    0   37 o    2.115000      0.6219000       2.121000 0.8328000       2.108000      0.9237000      0.1282000E-01   1.244000
  1 1 1       1    0   38 o    3.350000      0.5243000       3.501000 0.7198000       3.200000      0.7627000      0.3008000       1.049000
  1 1 1       1    1    3 o    39.18000      0.6346000       38.03000 1.016000       40.34000      0.7610000      -2.316000       1.269000
  1 1 1       1    1    4 o    36.50000      0.6034000       37.52000 1.003000       35.48000      0.6710000       2.044000       1.207000
  1 1 1       1    1    5 o    20.30000      0.3876000       20.88000 0.5633000       19.72000      0.5327000       1.157000      0.7753000
  1 1 1       1    1    6 o    12.69000      0.1765000       12.78000 0.2516000       12.59000      0.2476000      0.1974000      0.3530000
  1 1 1       1    1    7 o    14.44000      0.1998000       14.45000 0.2826000       14.44000      0.2824000      0.8408000E-02  0.3995000
  1 1 1       1    1    8 o    31.01000      0.4169000       31.22000 0.5934000       30.81000      0.5858000      0.4098000      0.8338000
  1 1 1       1    1    9 o    11.19000      0.1637000       11.42000 0.2352000       10.97000      0.2279000      0.4505000      0.3275000
  1 1 1       1    1   10 o    19.16000      0.2638000       19.12000 0.3723000       19.21000      0.3739000     -0.8267000E-01  0.5277000
  1 1 1       1    1   11 o    8.752000      0.1440000       8.916000 0.2048000       8.589000      0.2024000      0.3269000      0.2879000
  1 1 1       1    1   12 o    9.456000      0.1540000       9.572000 0.2182000       9.340000      0.2174000      0.2315000      0.3080000
  1 1 1       1    1   13 o    8.023000      0.1473000       7.961000 0.2060000       8.086000      0.2105000     -0.1252000      0.2945000
  1 1 1       1    1   14 o    18.05000      0.2551000       17.92000 0.3582000       18.18000      0.3635000     -0.2547000      0.5103000
  1 1 1       1    1   15 o    15.43000      0.2256000       15.42000 0.3191000       15.43000      0.3190000     -0.9632000E-02  0.4512000
  1 1 1       1    1   16 o    10.73000      0.2507000       10.86000 0.3608000       10.59000      0.3482000      0.2699000      0.5014000
  1 1 1       1    1   17 o    3.950000      0.1974000       3.882000 0.2822000       4.018000      0.2760000     -0.1366000      0.3947000
  1 1 1       1    1   18 o    6.870000      0.1710000       6.938000 0.2434000       6.802000      0.2402000      0.1359000      0.3420000
  1 1 1       1    1   19 o    9.797000      0.2646000       9.738000 0.3670000       9.855000      0.3812000     -0.1168000      0.5291000
  1 1 1       1    1   20 o    7.282000      0.2708000       7.218000 0.3685000       7.347000      0.3968000     -0.1297000      0.5415000
  1 1 1       1    1   21 f    9.114000      0.1898000       9.245000 0.2714000       8.983000      0.2655000      0.2617000      0.3797000
  1 1 1       1    1   22 o    12.12000      0.2098000       11.93000 0.2948000       12.31000      0.2987000     -0.3736000      0.4197000
  1 1 1       1    1   23 o    4.882000      0.2463000       4.809000 0.3488000       4.956000      0.3477000     -0.1471000      0.4925000
  1 1 1       1    1   24 o    8.451000      0.2036000       8.238000 0.2900000       8.664000      0.2857000     -0.4262000      0.4071000
  1 1 1       1    1   25 o    13.36000      0.2265000       13.29000 0.3215000       13.43000      0.3191000     -0.1376000      0.4530000
  1 1 1       1    1   26 o    3.223000      0.3806000       2.813000 0.6078000       3.634000      0.4581000     -0.8203000      0.7611000
  1 1 1       1    1   27 o    5.898000      0.2450000       5.776000 0.3521000       6.020000      0.3408000     -0.2443000      0.4900000
  1 1 1       1    1   28 o    12.47000      0.2281000       12.41000 0.3240000       12.52000      0.3212000     -0.1152000      0.4562000
  1 1 1       1    1   29 o    8.604000      0.2259000       8.479000 0.3200000       8.730000      0.3190000     -0.2509000      0.4519000
  1 1 1       1    1   30 o    2.393000      0.4989000       2.012000 0.7383000       2.774000      0.6713000     -0.7614000      0.9979000
  1 1 1       1    1   31 o    9.771000      0.2367000       9.773000 0.3371000       9.768000      0.3324000      0.4947000E-02  0.4734000
  1 1 1       1    1   32 o    1.965000      0.5423000       1.817000 0.7499000       2.113000      0.7835000     -0.2955000       1.085000
  1 1 1       1    1   33 o    12.98000      0.3541000       13.57000 0.5256000       12.39000      0.4747000       1.184000      0.7082000
  1 1 1       1    1   34 o    5.899000      0.3191000       5.694000 0.4657000       6.104000      0.4364000     -0.4099000      0.6382000
  1 1 1       1    1   35 o    4.015000      0.4495000       4.001000 0.6752000       4.029000      0.5936000     -0.2828000E-01  0.8990000
  1 1 1       1    1   36 o    4.481000      0.6561000       5.162000 0.8012000       3.801000       1.039000       1.362000       1.312000
  1 1 1       1    1   37 o    3.579000      0.5295000       3.916000 0.7102000       3.241000      0.7856000      0.6753000       1.059000
  1 1 1       1    1   38 o    4.983000      0.3793000       5.268000 0.5223000       4.697000      0.5502000      0.5709000      0.7586000
  1 1 1       1    2    2 o    28.50000      0.4726000       29.19000 0.7844000       27.81000      0.5274000       1.375000      0.9453000
  1 1 1       1    2    3 o    12.48000      0.2084000       12.52000 0.3412000       12.44000      0.2392000      0.7669000E-01  0.4167000
  1 1 1       1    2    4 o    11.51000      0.1600000       11.45000 0.2258000       11.57000      0.2268000     -0.1173000      0.3200000
  1 1 1       1    2    5 o    14.28000      0.1963000       14.41000 0.2798000       14.16000      0.2755000      0.2505000      0.3927000
  1 1 1       1    2    6 o    15.54000      0.2138000       15.69000 0.3053000       15.39000      0.2995000      0.3027000      0.4276000
  1 1 1       1    2    7 o    28.24000      0.3801000       28.25000 0.5378000       28.23000      0.5373000      0.2670000E-01  0.7602000
  1 1 1       1    2    8 o    2.772000      0.1369000       2.937000 0.1718000       2.608000      0.2133000      0.3295000      0.2739000
  1 1 1       1    2    9 o    11.42000      0.1678000       11.46000 0.2370000       11.37000      0.2377000      0.9246000E-01  0.3357000
  1 1 1       1    2   10 o    16.29000      0.2283000       16.52000 0.3262000       16.05000      0.3196000      0.4714000      0.4567000
  1 1 1       1    2   11 o    24.01000      0.3276000       24.06000 0.4639000       23.96000      0.4627000      0.9757000E-01  0.6552000
  1 1 1       1    2   12 o    3.080000      0.1713000       2.902000 0.2437000       3.258000      0.2407000     -0.3561000      0.3425000
  1 1 1       1    2   13 f    11.72000      0.1799000       11.88000 0.2556000       11.56000      0.2533000      0.3205000      0.3598000
  1 1 1       1    2   14 o    19.30000      0.2710000       19.38000 0.3845000       19.21000      0.3820000      0.1667000      0.5420000
  1 1 1       1    2   15 o    22.25000      0.4363000       22.04000 0.6123000       22.45000      0.6216000     -0.4178000      0.8725000
  1 1 1       1    2   16 o    11.45000      0.2602000       11.56000 0.3725000       11.33000      0.3634000      0.2268000      0.5204000
  1 1 1       1    2   17 o    5.417000      0.1716000       5.494000 0.2440000       5.340000      0.2413000      0.1536000      0.3432000
  1 1 1       1    2   18 o    5.425000      0.1775000       5.531000 0.2507000       5.319000      0.2513000      0.2120000      0.3549000
  1 1 1       1    2   19 o    4.847000      0.2930000       4.843000 0.4039000       4.851000      0.4244000     -0.7541000E-02  0.5859000
  1 1 1       1    2   20 o    6.150000      0.1882000       6.093000 0.2675000       6.206000      0.2648000     -0.1123000      0.3765000
  1 1 1       1    2   21 o    12.94000      0.2132000       12.90000 0.3015000       12.98000      0.3015000     -0.7143000E-01  0.4264000
  1 1 1       1    2   22 o    7.683000      0.1908000       7.824000 0.2682000       7.543000      0.2714000      0.2817000      0.3816000
  1 1 1       1    2   23 o    3.323000      0.3159000       3.283000 0.4444000       3.362000      0.4491000     -0.7926000E-01  0.6318000
  1 1 1       1    2   24 o    12.03000      0.2168000       11.85000 0.3019000       12.21000      0.3113000     -0.3605000      0.4336000
  1 1 1       1    2   25 o    3.377000      0.3412000       3.139000 0.5255000       3.614000      0.4352000     -0.4750000      0.6824000
  1 1 1       1    2   26 o    3.161000      0.3774000       3.368000 0.5037000       2.954000      0.5621000      0.4135000      0.7548000
  1 1 1       1    2   27 o    4.783000      0.2786000       4.436000 0.4206000       5.129000      0.3653000     -0.6935000      0.5571000
  1 1 1       1    2   28 o    8.443000      0.2216000       8.613000 0.3212000       8.274000      0.3054000      0.3389000      0.4433000
  1 1 1       1    2   29 o    4.486000      0.3136000       4.424000 0.4579000       4.548000      0.4286000     -0.1241000      0.6272000
  1 1 1       1    2   30 o    3.505000      0.4204000       3.595000 0.5826000       3.414000      0.6063000      0.1815000      0.8408000
  1 1 1       1    2   31 o    9.985000      0.2388000       10.22000 0.3382000       9.747000      0.3372000      0.4758000      0.4776000
  1 1 1       1    2   32 o    5.642000      0.4091000       5.277000 0.6373000       6.008000      0.5132000     -0.7313000      0.8183000
  1 1 1       1    2   33 o    3.792000      0.5993000       3.996000 0.8813000       3.588000      0.8124000      0.4082000       1.199000
  1 1 1       1    2   34 o    3.156000      0.5353000       2.691000 0.8532000       3.621000      0.6467000     -0.9304000       1.071000
  1 1 1       1    2   35 o    3.541000      0.7232000       3.674000 0.9983000       3.408000       1.047000      0.2668000       1.446000
  1 1 1       1    2   36 o    2.751000      0.6836000       1.937000 0.8786000       3.564000       1.047000      -1.627000       1.367000
  1 1 1       1    2   37 o    6.617000      0.3064000       6.578000 0.4372000       6.656000      0.4295000     -0.7818000E-01  0.6128000
  1 1 1       1    2   38 o    4.734000      0.4019000       4.490000 0.6191000       4.978000      0.5125000     -0.4875000      0.8037000
  1 1 1       1    3    0 o    9.273000      0.1292000       9.442000 0.1855000       9.104000      0.1798000      0.3372000      0.2584000
  1 1 1       1    3    1 o    9.260000      0.1703000       9.094000 0.2085000       9.426000      0.2694000     -0.3329000      0.3406000
  1 1 1       1    3    2 o    4.969000      0.1372000       4.720000 0.1665000       5.218000      0.2180000     -0.4979000      0.2743000
  1 1 1       1    3    3 o    8.993000      0.1289000       9.051000 0.1837000       8.935000      0.1809000      0.1153000      0.2578000
  1 1 1       1    3    4 o    31.25000      0.4181000       31.11000 0.5888000       31.39000      0.5939000     -0.2762000      0.8363000
  1 1 1       1    3    5 o    27.46000      0.3688000       27.46000 0.5215000       27.45000      0.5215000      0.1065000E-01  0.7375000
  1 1 1       1    3    6 o    19.69000      0.2678000       19.74000 0.3796000       19.64000      0.3780000      0.9841000E-01  0.5357000
  1 1 1       1    3    7 o    17.25000      0.2376000       17.20000 0.3350000       17.30000      0.3369000     -0.9949000E-01  0.4751000
  1 1 1       1    3    8 o    14.26000      0.2023000       14.02000 0.2822000       14.49000      0.2900000     -0.4708000      0.4046000
  1 1 1       1    3    9 o    15.88000      0.2230000       15.98000 0.3169000       15.78000      0.3137000      0.1957000      0.4459000
  1 1 1       1    3   10 o    11.31000      0.1709000       11.55000 0.2453000       11.08000      0.2381000      0.4695000      0.3419000
  1 1 1       1    3   11 o    12.83000      0.2300000       12.69000 0.3714000       12.97000      0.2713000     -0.2817000      0.4599000
  1 1 1       1    3   12 o    10.88000      0.1709000       10.59000 0.2343000       11.16000      0.2488000     -0.5625000      0.3418000
  1 1 1       1    3   13 o    5.667000      0.1510000       5.562000 0.2024000       5.773000      0.2241000     -0.2106000      0.3020000
  1 1 1       1    3   14 o    7.467000      0.1899000       7.793000 0.2139000       7.142000      0.3139000      0.6511000      0.3799000
  1 1 1       1    3   15 o    6.534000      0.2308000       6.641000 0.3076000       6.427000      0.3442000      0.2138000      0.4616000
  1 1 1       1    3   16 o    8.466000      0.1687000       8.636000 0.2301000       8.295000      0.2469000      0.3407000      0.3375000
  1 1 1       1    3   17 o    14.90000      0.2262000       15.27000 0.3224000       14.53000      0.3173000      0.7379000      0.4524000
  1 1 1       1    3   18 o    8.577000      0.2497000       8.296000 0.3427000       8.857000      0.3634000     -0.5611000      0.4994000
  1 1 1       1    3   19 o    5.975000      0.1788000       5.844000 0.2510000       6.106000      0.2546000     -0.2622000      0.3576000
  1 1 1       1    3   20 o    7.077000      0.1822000       6.753000 0.2581000       7.401000      0.2573000     -0.6479000      0.3645000
  1 1 1       1    3   21 o    10.11000      0.1934000       10.19000 0.2736000       10.04000      0.2735000      0.1459000      0.3869000
  1 1 1       1    3   22 o    7.027000      0.1927000       7.443000 0.2677000       6.610000      0.2772000      0.8331000      0.3853000
  1 1 1       1    3   23 o    5.135000      0.2265000       5.126000 0.3222000       5.144000      0.3184000     -0.1770000E-01  0.4530000
  1 1 1       1    3   24 o    13.68000      0.2274000       13.72000 0.3217000       13.64000      0.3216000      0.7775000E-01  0.4549000
  1 1 1       1    3   25 o    4.874000      0.2563000       4.480000 0.3911000       5.267000      0.3315000     -0.7875000      0.5127000
  1 1 1       1    3   26 o    7.182000      0.2140000       6.957000 0.3057000       7.407000      0.2997000     -0.4492000      0.4281000
  1 1 1       1    3   27 o    8.317000      0.2130000       8.363000 0.3033000       8.270000      0.2991000      0.9303000E-01  0.4260000
  1 1 1       1    3   28 o    6.184000      0.2462000       6.095000 0.3478000       6.273000      0.3484000     -0.1778000      0.4923000
  1 1 1       1    3   29 o    5.205000      0.2809000       5.500000 0.3939000       4.910000      0.4007000      0.5900000      0.5619000
  1 1 1       1    3   30 o    4.562000      0.3291000       4.720000 0.4604000       4.405000      0.4704000      0.3145000      0.6583000
  1 1 1       1    3   31 o    2.742000      0.5365000       2.976000 0.7186000       2.508000      0.7969000      0.4682000       1.073000
  1 1 1       1    3   32 o    2.683000      0.6371000       2.731000 0.9285000       2.635000      0.8726000      0.9600000E-01   1.274000
  1 1 1       1    3   33 o    3.429000      0.5103000       3.555000 0.7322000       3.303000      0.7110000      0.2524000       1.021000
  1 1 1       1    3   34 o    1.882000      0.5360000       1.595000 0.7179000       2.169000      0.7962000     -0.5742000       1.072000
  1 1 1       1    3   35 o    2.824000      0.7165000       3.214000 1.054000       2.433000      0.9704000      0.7815000       1.433000
  1 1 1       1    3   36 o    4.606000      0.3926000       4.978000 0.5088000       4.234000      0.5981000      0.7434000      0.7853000
  1 1 1       1    3   37 o    5.469000      0.3433000       5.608000 0.4775000       5.330000      0.4932000      0.2781000      0.6865000
  1 1 1       1    3   38 o    1.394000      0.4619000       1.662000 0.7396000       1.127000      0.5535000      0.5347000      0.9238000
  1 1 1       1    4    0 o    4.520000      0.9143000E-01   4.569000 0.1269000       4.471000      0.1317000      0.9806000E-01  0.1829000
  1 1 1       1    4    1 o    20.85000      0.2933000       20.30000 0.4028000       21.40000      0.4264000      -1.093000      0.5866000
  1 1 1       1    4    2 o    2.410000      0.2771000       1.875000 0.4440000       2.945000      0.3318000      -1.070000      0.5543000
  1 1 1       1    4    3 o    24.39000      0.3302000       24.90000 0.4781000       23.89000      0.4555000       1.010000      0.6604000
  1 1 1       1    4    4 o    38.36000      0.5129000       37.99000 0.7184000       38.72000      0.7322000     -0.7318000       1.026000
  1 1 1       1    4    5 o    8.020000      0.1228000       8.152000 0.1752000       7.887000      0.1722000      0.2654000      0.2457000
  1 1 1       1    4    6 o    33.34000      0.4475000       33.22000 0.6311000       33.45000      0.6346000     -0.2281000      0.8949000
  1 1 1       1    4    7 o    9.644000      0.1464000       9.667000 0.2073000       9.621000      0.2068000      0.4695000E-01  0.2928000
  1 1 1       1    4    8 o    16.21000      0.2266000       16.31000 0.3229000       16.10000      0.3180000      0.2080000      0.4532000
  1 1 1       1    4    9 o    10.85000      0.1647000       10.97000 0.2347000       10.72000      0.2312000      0.2475000      0.3294000
  1 1 1       1    4   10 o    11.91000      0.1795000       12.13000 0.2573000       11.69000      0.2505000      0.4373000      0.3591000
  1 1 1       1    4   11 o    6.960000      0.1426000       7.079000 0.2014000       6.840000      0.2018000      0.2387000      0.2851000
  1 1 1       1    4   12 o    7.870000      0.1501000       7.822000 0.2102000       7.919000      0.2144000     -0.9651000E-01  0.3003000
  1 1 1       1    4   13 o    13.37000      0.2843000       13.83000 0.4085000       12.90000      0.3954000      0.9310000      0.5685000
  1 1 1       1    4   14 o    7.845000      0.3016000       7.845000 0.3016000                  ?              ?              ?              ?
  1 1 1       1    4   15 o    9.404000      0.2052000       9.521000 0.3308000       9.287000      0.2430000      0.2339000      0.4105000
  1 1 1       1    4   16 o    4.083000      0.3094000                  ?       ?   4.083000      0.3094000                  ?              ?
  1 1 1       1    4   17 o    10.21000      0.2575000       10.25000 0.3592000       10.17000      0.3690000      0.8361000E-01  0.5150000
  1 1 1       1    4   18 o    19.11000      0.2764000       19.61000 0.3967000       18.62000      0.3849000      0.9965000      0.5528000
  1 1 1       1    4   19 o    2.527000      0.3479000       2.173000 0.5082000       2.882000      0.4752000     -0.7093000      0.6958000
  1 1 1       1    4   20 o    4.474000      0.2340000       4.449000 0.3068000       4.499000      0.3535000     -0.5010000E-01  0.4680000
  1 1 1       1    4   21 o    5.400000      0.2184000       5.714000 0.2762000       5.087000      0.3383000      0.6270000      0.4367000
  1 1 1       1    4   22 o    8.932000      0.2017000       9.024000 0.2734000       8.840000      0.2967000      0.1843000      0.4034000
  1 1 1       1    4   23 o    5.097000      0.2414000       5.030000 0.3297000       5.165000      0.3527000     -0.1343000      0.4828000
  1 1 1       1    4   24 o    6.962000      0.2153000       6.914000 0.2971000       7.009000      0.3116000     -0.9568000E-01  0.4305000
  1 1 1       1    4   25 o    8.882000      0.2153000       9.203000 0.2957000       8.560000      0.3132000      0.6434000      0.4307000
  1 1 1       1    4   26 o    7.868000      0.2203000       8.184000 0.2960000       7.553000      0.3263000      0.6309000      0.4405000
  1 1 1       1    4   27 o    6.375000      0.2551000       6.184000 0.3326000       6.566000      0.3868000     -0.3819000      0.5101000
  1 1 1       1    4   28 o    2.960000      0.4742000       2.628000 0.6634000       3.292000      0.6778000     -0.6641000      0.9484000
  1 1 1       1    4   29 o    8.089000      0.2459000       8.154000 0.3152000       8.024000      0.3774000      0.1303000      0.4917000
  1 1 1       1    4   30 o    8.551000      0.2581000       8.791000 0.3274000       8.311000      0.3991000      0.4797000      0.5163000
  1 1 1       1    4   31 f    9.915000      0.3636000       9.530000 0.4769000       10.30000      0.5490000     -0.7709000      0.7273000
  1 1 1       1    4   32 o    6.114000      0.3430000       6.486000 0.4214000       5.742000      0.5413000      0.7440000      0.6860000
  1 1 1       1    4   33 o    8.030000      0.2921000       8.731000 0.3619000       7.329000      0.4587000       1.401000      0.5843000
  1 1 1       1    4   34 o    3.043000      0.6635000       4.050000 0.9577000       2.036000      0.9187000       2.015000       1.327000
  1 1 1       1    4   35 o    2.188000      0.6009000       1.861000 0.7916000       2.515000      0.9042000     -0.6532000       1.202000
  1 1 1       1    4   36 o    3.938000      0.4908000       4.101000 0.6182000       3.776000      0.7623000      0.3247000      0.9815000
  1 1 1       1    4   37 o    4.109000      0.4638000       4.429000 0.5923000       3.789000      0.7138000      0.6394000      0.9276000
  1 1 1       1    4   38 f    2.043000      0.5649000       2.075000 0.8118000       2.010000      0.7856000      0.6475000E-01   1.130000
  1 1 1       1    5    0 o    18.46000      0.2539000       18.16000 0.3506000       18.76000      0.3673000     -0.6017000      0.5078000
  1 1 1       1    5    1 o    6.231000      0.1850000       6.065000 0.2605000       6.398000      0.2628000     -0.3325000      0.3701000
  1 1 1       1    5    2 o    13.66000      0.2481000       13.98000 0.3119000       13.34000      0.3858000      0.6399000      0.4961000
  1 1 1       1    5    3 o    9.898000      0.1572000       10.17000 0.2298000       9.622000      0.2144000      0.5520000      0.3143000
  1 1 1       1    5    4 o    12.70000      0.1801000       12.59000 0.2539000       12.81000      0.2554000     -0.2147000      0.3601000
  1 1 1       1    5    5 o    20.21000      0.2743000       20.15000 0.3872000       20.26000      0.3888000     -0.1032000      0.5487000
  1 1 1       1    5    6 o    11.18000      0.1624000       11.21000 0.2301000       11.14000      0.2293000      0.6884000E-01  0.3248000
  1 1 1       1    5    7 o    16.17000      0.2245000       16.09000 0.3163000       16.26000      0.3188000     -0.1674000      0.4491000
  1 1 1       1    5    8 o    21.34000      0.2916000       21.47000 0.4151000       21.21000      0.4097000      0.2624000      0.5832000
  1 1 1       1    5    9 f    7.335000      0.1344000       7.360000 0.1899000       7.310000      0.1902000      0.4987000E-01  0.2687000
  1 1 1       1    5   10 f    3.485000      0.1665000       3.625000 0.2331000       3.344000      0.2378000      0.2816000      0.3330000
  1 1 1       1    5   11 o    11.98000      0.1832000       11.99000 0.2602000       11.96000      0.2580000      0.3251000E-01  0.3664000
  1 1 1       1    5   13 o    15.91000      0.3251000       15.81000 0.4544000       16.01000      0.4651000     -0.2040000      0.6502000
  1 1 1       1    5   15 o    4.951000      0.2318000       5.015000 0.3961000       4.888000      0.2407000      0.1278000      0.4635000
  1 1 1       1    5   16 o    5.509000      0.3727000                  ?       ?   5.509000      0.3727000                  ?              ?
  1 1 1       1    5   17 o    10.97000      0.1898000       10.85000 0.2628000       11.10000      0.2740000     -0.2561000      0.3797000
  1 1 1       1    5   18 o    18.26000      0.3261000       18.50000 0.3787000       18.02000      0.5309000      0.4875000      0.6522000
  1 1 1       1    5   19 o    4.888000      0.2112000       4.861000 0.2804000       4.915000      0.3159000     -0.5350000E-01  0.4224000
  1 1 1       1    5   20 o    12.34000      0.2077000       12.42000 0.2881000       12.26000      0.2993000      0.1601000      0.4154000
  1 1 1       1    5   21 o    10.35000      0.1982000       10.41000 0.2732000       10.28000      0.2871000      0.1311000      0.3964000
  1 1 1       1    5   22 o    8.380000      0.2028000       8.661000 0.2789000       8.099000      0.2944000      0.5623000      0.4055000
  1 1 1       1    5   23 o    11.05000      0.2112000       10.94000 0.2924000       11.17000      0.3047000     -0.2325000      0.4223000
  1 1 1       1    5   24 o    7.459000      0.2100000       7.320000 0.2861000       7.599000      0.3074000     -0.2788000      0.4199000
  1 1 1       1    5   25 o    3.222000      0.4003000       3.956000 0.4220000       2.488000      0.6803000       1.467000      0.8006000
  1 1 1       1    5   26 o    8.962000      0.2203000       9.046000 0.2952000       8.879000      0.3270000      0.1671000      0.4405000
  1 1 1       1    5   27 o    5.713000      0.2764000       5.645000 0.3608000       5.781000      0.4189000     -0.1361000      0.5529000
  1 1 1       1    5   28 o    3.210000      0.4479000       2.161000 0.7035000       4.260000      0.5544000      -2.099000      0.8957000
  1 1 1       1    5   29 o    5.161000      0.3286000       4.297000 0.4880000       6.024000      0.4403000      -1.726000      0.6572000
  1 1 1       1    5   30 o    11.46000      0.3563000       11.92000 0.4761000       11.00000      0.5302000      0.9228000      0.7125000
  1 1 1       1    5   31 o    7.637000      0.2616000       7.704000 0.3369000       7.570000      0.4003000      0.1340000      0.5232000
  1 1 1       1    5   32 o    3.903000      0.5003000       3.735000 0.6677000       4.070000      0.7452000     -0.3346000       1.001000
  1 1 1       1    5   33 o    7.506000      0.4227000       7.847000 0.5464000       7.166000      0.6452000      0.6806000      0.8454000
  1 1 1       1    5   34 f    4.946000      0.5856000       4.360000 0.8973000       5.533000      0.7528000      -1.173000       1.171000
  1 1 1       1    5   35 o    3.997000      0.5186000       3.932000 0.6576000       4.062000      0.8020000     -0.1298000       1.037000
  1 1 1       1    5   36 o    2.331000      0.5839000       2.489000 0.8168000       2.174000      0.8345000      0.3147000       1.168000
  1 1 1       1    5   37 o    3.290000      0.5531000       3.202000 0.7736000       3.377000      0.7907000     -0.1751000       1.106000
  1 1 1       1    6    0 o    24.52000      0.4096000       24.61000 0.6658000       24.43000      0.4772000      0.1795000      0.8192000
  1 1 1       1    6    1 o    10.05000      0.2006000       10.05000 0.2836000       10.04000      0.2838000      0.1119000E-01  0.4012000
  1 1 1       1    6    2 o    13.58000      0.2287000       13.30000 0.3238000       13.86000      0.3231000     -0.5582000      0.4575000
  1 1 1       1    6    3 o    21.55000      0.3683000       21.06000 0.4200000       22.04000      0.6052000     -0.9771000      0.7367000
  1 1 1       1    6    4 o    16.10000      0.2267000       16.37000 0.3267000       15.82000      0.3145000      0.5545000      0.4535000
  1 1 1       1    6    5 o    32.47000      0.4365000       33.01000 0.6279000       31.93000      0.6066000       1.077000      0.8731000
  1 1 1       1    6    6 o    25.74000      0.3476000       25.66000 0.4902000       25.81000      0.4930000     -0.1455000      0.6952000
  1 1 1       1    6    7 o    13.06000      0.1868000       13.37000 0.2694000       12.74000      0.2588000      0.6359000      0.3736000
  1 1 1       1    6    8 o    10.44000      0.1584000       10.50000 0.2251000       10.37000      0.2229000      0.1360000      0.3168000
  1 1 1       1    6    9 o    3.665000      0.1563000       3.586000 0.2227000       3.743000      0.2195000     -0.1576000      0.3127000
  1 1 1       1    6   10 o    12.72000      0.2650000       12.37000 0.3656000       13.07000      0.3838000     -0.6993000      0.5301000
  1 1 1       1    6   11 o    21.99000      0.4283000       22.13000 0.6090000       21.85000      0.6024000      0.2817000      0.8566000
  1 1 1       1    6   12 o    19.61000      0.2749000       19.68000 0.3902000       19.54000      0.3874000      0.1387000      0.5498000
  1 1 1       1    6   13 o    4.780000      0.1708000       4.551000 0.2431000       5.009000      0.2401000     -0.4572000      0.3417000
  1 1 1       1    6   14 o    4.859000      0.2623000       5.266000 0.3715000       4.452000      0.3702000      0.8138000      0.5245000
  1 1 1       1    6   15 o    4.869000      0.2846000       4.668000 0.4216000       5.070000      0.3825000     -0.4017000      0.5693000
  1 1 1       1    6   16 o    5.825000      0.1821000       5.856000 0.2600000       5.793000      0.2551000      0.6302000E-01  0.3642000
  1 1 1       1    6   17 o    13.10000      0.2118000       13.20000 0.3014000       13.00000      0.2976000      0.1982000      0.4236000
  1 1 1       1    6   18 o    9.467000      0.1875000       9.392000 0.2637000       9.543000      0.2666000     -0.1510000      0.3750000
  1 1 1       1    6   19 o    7.348000      0.1836000       7.498000 0.2467000       7.197000      0.2720000      0.3012000      0.3672000
  1 1 1       1    6   20 o    11.60000      0.2030000       11.42000 0.2783000       11.79000      0.2955000     -0.3727000      0.4059000
  1 1 1       1    6   21 o    9.813000      0.1953000       9.574000 0.2647000       10.05000      0.2872000     -0.4794000      0.3906000
  1 1 1       1    6   22 f    9.894000      0.2032000       10.11000 0.2829000       9.681000      0.2917000      0.4254000      0.4064000
  1 1 1       1    6   23 o    8.556000      0.2051000       8.528000 0.2847000       8.584000      0.2952000     -0.5550000E-01  0.4101000
  1 1 1       1    6   24 o    8.651000      0.2065000       8.618000 0.2832000       8.684000      0.3006000     -0.6589000E-01  0.4130000
  1 1 1       1    6   25 o    2.934000      0.4314000       3.182000 0.5323000       2.686000      0.6791000      0.4960000      0.8629000
  1 1 1       1    6   26 o    5.672000      0.2584000       5.935000 0.3231000       5.409000      0.4032000      0.5255000      0.5167000
  1 1 1       1    6   27 o    6.268000      0.2546000       6.381000 0.3294000       6.156000      0.3884000      0.2243000      0.5093000
  1 1 1       1    6   28 o    7.607000      0.2463000       7.597000 0.3213000       7.617000      0.3735000     -0.1964000E-01  0.4927000
  1 1 1       1    6   29 o    2.746000      0.5984000       1.920000 0.7772000       3.572000      0.9101000      -1.652000       1.197000
  1 1 1       1    6   30 o    5.741000      0.3510000       6.103000 0.5346000       5.379000      0.4549000      0.7234000      0.7019000
  1 1 1       1    6   31 o    5.642000      0.3219000       5.607000 0.4350000       5.677000      0.4745000     -0.7090000E-01  0.6437000
  1 1 1       1    6   32 o    4.422000      0.6060000       4.256000 0.8947000       4.587000      0.8175000     -0.3313000       1.212000
  1 1 1       1    6   33 o    5.045000      0.5869000       4.157000 0.9175000       5.932000      0.7322000      -1.776000       1.174000
  1 1 1       1    6   34 o    5.116000      0.3790000       4.494000 0.5323000       5.738000      0.5397000      -1.244000      0.7581000
  1 1 1       1    6   35 o    2.399000      0.5689000       2.805000 0.7889000       1.992000      0.8199000      0.8134000       1.138000
  1 1 1       1    6   36 o    2.179000      0.5674000       2.550000 0.8245000       1.808000      0.7799000      0.7416000       1.135000
  1 1 1       1    6   37 o    1.756000      0.5314000       1.892000 0.7735000       1.621000      0.7289000      0.2709000       1.063000
  1 1 1       1    7    0 o    22.35000      0.4482000       22.83000 0.6234000       21.88000      0.6440000      0.9512000      0.8963000
  1 1 1       1    7    1 o    21.53000      0.3213000       20.94000 0.4391000       22.11000      0.4691000      -1.171000      0.6426000
  1 1 1       1    7    2 o    7.013000      0.2199000       7.080000 0.3033000       6.947000      0.3185000      0.1335000      0.4399000
  1 1 1       1    7    3 o    12.06000      0.2034000       11.87000 0.2947000       12.25000      0.2804000     -0.3853000      0.4067000
  1 1 1       1    7    4 o    25.68000      0.3517000       26.40000 0.5110000       24.97000      0.4832000       1.423000      0.7033000
  1 1 1       1    7    5 o    9.229000      0.1485000       9.103000 0.2110000       9.355000      0.2090000     -0.2517000      0.2970000
  1 1 1       1    7    6 o    14.96000      0.2110000       15.04000 0.3008000       14.87000      0.2960000      0.1742000      0.4221000
  1 1 1       1    7    7 o    19.40000      0.3769000       19.28000 0.5306000       19.53000      0.5354000     -0.2472000      0.7538000
  1 1 1       1    7    8 o    3.304000      0.2236000       2.809000 0.3469000       3.800000      0.2824000     -0.9915000      0.4473000
  1 1 1       1    7    9 o    6.830000      0.1866000       6.424000 0.2611000       7.236000      0.2666000     -0.8124000      0.3732000
  1 1 1       1    7   10 f    8.284000      0.1472000       8.326000 0.2087000       8.242000      0.2076000      0.8407000E-01  0.2944000
  1 1 1       1    7   11 o    11.76000      0.1822000       11.89000 0.2604000       11.63000      0.2548000      0.2651000      0.3644000
  1 1 1       1    7   12 o    11.38000      0.2603000       10.93000 0.3644000       11.82000      0.3719000     -0.8874000      0.5207000
  1 1 1       1    7   13 o    2.825000      0.3842000       2.222000 0.6338000       3.427000      0.4342000      -1.204000      0.7683000
  1 1 1       1    7   14 o    13.27000      0.2049000       13.12000 0.2881000       13.42000      0.2915000     -0.2993000      0.4099000
  1 1 1       1    7   15 o    6.141000      0.1717000       6.060000 0.2455000       6.221000      0.2403000     -0.1604000      0.3435000
  1 1 1       1    7   16 o    4.505000      0.2052000       4.589000 0.2897000       4.420000      0.2907000      0.1688000      0.4104000
  1 1 1       1    7   17 o    15.74000      0.2391000       15.70000 0.3389000       15.77000      0.3373000     -0.7682000E-01  0.4781000
  1 1 1       1    7   18 o    12.93000      0.2114000       12.84000 0.2985000       13.02000      0.2995000     -0.1783000      0.4228000
  1 1 1       1    7   19 o    1.475000      0.4072000       1.401000 0.5627000       1.548000      0.5888000     -0.1473000      0.8144000
  1 1 1       1    7   20 o    5.117000      0.2218000       5.306000 0.3037000       4.929000      0.3234000      0.3773000      0.4436000
  1 1 1       1    7   21 o    6.209000      0.2085000       6.114000 0.2866000       6.305000      0.3029000     -0.1912000      0.4170000
  1 1 1       1    7   22 o    9.323000      0.2512000       9.589000 0.2781000       9.057000      0.4184000      0.5317000      0.5024000
  1 1 1       1    7   23 o    7.795000      0.2094000       7.620000 0.2830000       7.970000      0.3087000     -0.3501000      0.4188000
  1 1 1       1    7   24 o    5.401000      0.2479000       5.142000 0.3427000       5.659000      0.3583000     -0.5171000      0.4958000
  1 1 1       1    7   25 o    10.07000      0.2150000       10.05000 0.2934000       10.09000      0.3143000     -0.4708000E-01  0.4300000
  1 1 1       1    7   26 o    7.242000      0.2308000       7.451000 0.3068000       7.033000      0.3448000      0.4183000      0.4615000
  1 1 1       1    7   27 o    10.36000      0.2291000       10.58000 0.3119000       10.15000      0.3358000      0.4315000      0.4583000
  1 1 1       1    7   28 o    3.825000      0.5408000       4.208000 0.6215000       3.441000      0.8852000      0.7670000       1.082000
  1 1 1       1    7   29 o    1.907000      0.5133000       1.955000 0.6944000       1.858000      0.7562000      0.9765000E-01   1.027000
  1 1 1       1    7   30 o    11.32000      0.2466000       11.56000 0.3329000       11.08000      0.3638000      0.4798000      0.4931000
  1 1 1       1    7   31 o    6.661000      0.4216000       6.678000 0.5750000       6.643000      0.6168000      0.3528000E-01  0.8432000
  1 1 1       1    7   32 o    3.099000      0.6965000       3.449000 0.9486000       2.750000       1.020000      0.6990000       1.393000
  1 1 1       1    7   33 o    2.255000      0.5845000       1.935000 0.7597000       2.576000      0.8884000     -0.6414000       1.169000
  1 1 1       1    7   34 o    3.078000      0.5623000       2.444000 0.8142000       3.712000      0.7759000      -1.268000       1.125000
  1 1 1       1    7   35 o    2.413000      0.5653000       2.856000 0.7654000       1.969000      0.8320000      0.8862000       1.131000
  1 1 1       1    7   36 o    6.672000      0.3150000       6.593000 0.4273000       6.752000      0.4628000     -0.1593000      0.6299000
  1 1 1       1    7   37 o    2.234000      0.5822000       2.179000 0.8053000       2.290000      0.8411000     -0.1106000       1.164000
  1 1 1       1    8    0 o    27.84000      0.3900000       28.71000 0.5608000       26.97000      0.5420000       1.740000      0.7799000
  1 1 1       1    8    1 o    18.44000      0.4080000       18.84000 0.4202000       18.03000      0.6995000      0.8097000      0.8160000
  1 1 1       1    8    2 o    5.774000      0.2598000       6.057000 0.3494000       5.491000      0.3844000      0.5657000      0.5195000
  1 1 1       1    8    3 o    19.91000      0.4407000       20.88000 0.6931000       18.94000      0.5446000       1.934000      0.8815000
  1 1 1       1    8    4 o    30.26000      0.5868000       30.59000 0.8477000       29.93000      0.8117000      0.6600000       1.174000
  1 1 1       1    8    5 o    14.42000      0.3123000       15.06000 0.4735000       13.78000      0.4073000       1.278000      0.6245000
  1 1 1       1    8    6 o    24.54000      0.3339000       24.26000 0.4677000       24.82000      0.4765000     -0.5608000      0.6677000
  1 1 1       1    8    7 o    8.716000      0.1465000       8.582000 0.2084000       8.850000      0.2060000     -0.2672000      0.2930000
  1 1 1       1    8    8 o    22.20000      0.3037000       22.30000 0.4316000       22.10000      0.4274000      0.1975000      0.6074000
  1 1 1       1    8    9 o    12.83000      0.2327000       12.91000 0.3830000       12.76000      0.2644000      0.1524000      0.4654000
  1 1 1       1    8   10 o    8.712000      0.2174000       8.512000 0.3062000       8.911000      0.3087000     -0.3988000      0.4348000
  1 1 1       1    8   11 o    7.606000      0.2192000       7.923000 0.3202000       7.289000      0.2994000      0.6335000      0.4383000
  1 1 1       1    8   12 o    7.131000      0.1538000       7.123000 0.2170000       7.139000      0.2180000     -0.1666000E-01  0.3076000
  1 1 1       1    8   13 o    2.941000      0.2380000       2.937000 0.3368000       2.945000      0.3364000     -0.7891000E-02  0.4760000
  1 1 1       1    8   14 o    6.401000      0.1694000       6.323000 0.2426000       6.479000      0.2366000     -0.1560000      0.3389000
  1 1 1       1    8   15 o    6.751000      0.2449000       6.751000 0.2449000                  ?              ?              ?              ?
  1 1 1       1    8   16 o    8.777000      0.1765000       8.737000 0.2503000       8.817000      0.2489000     -0.7934000E-01  0.3530000
  1 1 1       1    8   17 o    4.724000      0.2948000                  ?       ?   4.724000      0.2948000                  ?              ?
  1 1 1       1    8   18 o    3.689000      0.2731000       4.173000 0.3452000       3.205000      0.4232000      0.9671000      0.5461000
  1 1 1       1    8   19 o    14.01000      0.2236000       14.16000 0.3204000       13.85000      0.3121000      0.3101000      0.4473000
  1 1 1       1    8   20 o    17.45000      0.2627000       17.55000 0.3750000       17.34000      0.3680000      0.2168000      0.5254000
  1 1 1       1    8   21 f    2.248000      0.4413000       2.451000 0.6093000       2.045000      0.6386000      0.4056000      0.8827000
  1 1 1       1    8   22 o    1.643000      0.4339000       2.037000 0.6631000       1.248000      0.5598000      0.7885000      0.8678000
  1 1 1       1    8   23 o    6.288000      0.2216000       6.713000 0.2901000       5.864000      0.3351000      0.8486000      0.4432000
  1 1 1       1    8   24 o    5.496000      0.3169000       5.083000 0.3581000       5.909000      0.5229000     -0.8265000      0.6338000
  1 1 1       1    8   25 o    12.23000      0.2255000       11.97000 0.3101000       12.49000      0.3274000     -0.5191000      0.4510000
  1 1 1       1    8   26 o    5.835000      0.2569000       5.760000 0.3444000       5.910000      0.3813000     -0.1505000      0.5138000
  1 1 1       1    8   27 o    9.536000      0.3125000       9.729000 0.4256000       9.343000      0.4576000      0.3853000      0.6250000
  1 1 1       1    8   28 o    2.588000      0.5190000       2.244000 0.7154000       2.933000      0.7521000     -0.6893000       1.038000
  1 1 1       1    8   29 o    5.073000      0.3187000       5.080000 0.4350000       5.067000      0.4659000      0.1274000E-01  0.6374000
  1 1 1       1    8   30 o    5.951000      0.4362000       5.708000 0.6203000       6.193000      0.6136000     -0.4847000      0.8725000
  1 1 1       1    8   31 o    8.637000      0.3837000       8.433000 0.5390000       8.840000      0.5462000     -0.4065000      0.7673000
  1 1 1       1    8   32 o    5.304000      0.3711000       5.494000 0.4652000       5.114000      0.5782000      0.3804000      0.7421000
  1 1 1       1    8   33 o    3.915000      0.4955000       3.343000 0.7350000       4.486000      0.6647000      -1.143000      0.9909000
  1 1 1       1    8   34 o    5.223000      0.3735000       5.158000 0.4889000       5.288000      0.5649000     -0.1301000      0.7470000
  1 1 1       1    8   35 o    2.739000      0.6038000       2.350000 0.8006000       3.128000      0.9040000     -0.7778000       1.208000
  1 1 1       1    8   36 o    2.655000      0.5850000       3.110000 0.7950000       2.200000      0.8583000      0.9098000       1.170000
  1 1 1       1    8   37 o    5.437000      0.3629000       5.576000 0.4917000       5.299000      0.5338000      0.2772000      0.7257000
  1 1 1       1    9    0 o    9.075000      0.2135000       9.091000 0.3067000       9.059000      0.2972000      0.3181000E-01  0.4270000
  1 1 1       1    9    1 o    19.20000      0.4194000       19.95000 0.7084000       18.46000      0.4491000       1.492000      0.8387000
  1 1 1       1    9    2 o    9.685000      0.2693000       9.898000 0.3898000       9.473000      0.3717000      0.4250000      0.5386000
  1 1 1       1    9    3 f    10.38000      0.2221000       9.982000 0.3133000       10.77000      0.3149000     -0.7881000      0.4442000
  1 1 1       1    9    4 o    11.23000      0.2292000       10.94000 0.3492000       11.53000      0.2968000     -0.5858000      0.4583000
  1 1 1       1    9    5 o    10.45000      0.1858000       10.64000 0.2740000       10.27000      0.2511000      0.3662000      0.3717000
  1 1 1       1    9    6 o    8.059000      0.1998000       8.132000 0.2799000       7.985000      0.2852000      0.1472000      0.3997000
  1 1 1       1    9    7 o    11.91000      0.2511000       12.25000 0.3619000       11.56000      0.3481000      0.6883000      0.5021000
  1 1 1       1    9    8 o    14.51000      0.2948000       13.87000 0.4013000       15.15000      0.4319000      -1.278000      0.5896000
  1 1 1       1    9    9 o    12.82000      0.1905000       12.85000 0.2699000       12.80000      0.2688000      0.5479000E-01  0.3810000
  1 1 1       1    9   10 o    19.83000      0.2761000       19.93000 0.3931000       19.73000      0.3880000      0.2089000      0.5523000
  1 1 1       1    9   11 o    10.75000      0.1725000       10.75000 0.2451000       10.76000      0.2428000     -0.1519000E-02  0.3450000
  1 1 1       1    9   12 o    14.71000      0.2164000       14.86000 0.3089000       14.57000      0.3032000      0.2881000      0.4328000
  1 1 1       1    9   13 o    8.231000      0.1613000       8.243000 0.2273000       8.218000      0.2288000      0.2427000E-01  0.3225000
  1 1 1       1    9   14 o    12.16000      0.1941000       12.01000 0.2725000       12.31000      0.2765000     -0.3063000      0.3882000
  1 1 1       1    9   15 o    4.922000      0.2613000       4.922000 0.2613000                  ?              ?              ?              ?
  1 1 1       1    9   16 o    1.899000      0.3742000       2.389000 0.5006000       1.409000      0.5562000      0.9796000      0.7484000
  1 1 1       1    9   17 o    5.502000      0.2647000                  ?       ?   5.502000      0.2647000                  ?              ?
  1 1 1       1    9   18 o    6.834000      0.1899000       6.624000 0.2768000       7.043000      0.2600000     -0.4196000      0.3797000
  1 1 1       1    9   19 o    16.03000      0.2462000       15.99000 0.3494000       16.07000      0.3470000     -0.7440000E-01  0.4924000
  1 1 1       1    9   20 o    8.320000      0.1972000       8.081000 0.2801000       8.559000      0.2777000     -0.4775000      0.3944000
  1 1 1       1    9   21 o    7.809000      0.2033000       7.876000 0.2846000       7.742000      0.2904000      0.1348000      0.4066000
  1 1 1       1    9   22 o    4.388000      0.2810000       4.245000 0.4206000       4.532000      0.3727000     -0.2876000      0.5620000
  1 1 1       1    9   23 o    11.61000      0.2548000       11.11000 0.3991000       12.10000      0.3169000     -0.9804000      0.5096000
  1 1 1       1    9   24 f    2.941000      0.4281000       2.550000 0.6525000       3.332000      0.5544000     -0.7818000      0.8563000
  1 1 1       1    9   25 o    2.350000      0.5484000       2.782000 0.7803000       1.918000      0.7708000      0.8640000       1.097000
  1 1 1       1    9   26 o    7.240000      0.3199000       6.715000 0.4328000       7.766000      0.4713000      -1.051000      0.6398000
  1 1 1       1    9   27 o    5.257000      0.2822000       5.343000 0.3745000       5.170000      0.4223000      0.1733000      0.5644000
  1 1 1       1    9   28 o    4.588000      0.3394000       4.685000 0.4397000       4.490000      0.5172000      0.1955000      0.6789000
  1 1 1       1    9   29 o    2.296000      0.5887000       1.552000 0.7262000       3.040000      0.9269000      -1.488000       1.177000
  1 1 1       1    9   30 o    9.679000      0.2511000       9.465000 0.3415000       9.892000      0.3683000     -0.4279000      0.5023000
  1 1 1       1    9   31 o    11.82000      0.2565000       11.64000 0.3426000       12.00000      0.3818000     -0.3549000      0.5130000
  1 1 1       1    9   32 o    6.019000      0.3288000       5.614000 0.4394000       6.424000      0.4894000     -0.8099000      0.6577000
  1 1 1       1    9   33 o    1.949000      0.5619000       1.620000 0.7106000       2.279000      0.8705000     -0.6595000       1.124000
  1 1 1       1    9   34 o    9.261000      0.2772000       9.435000 0.3576000       9.088000      0.4237000      0.3464000      0.5544000
  1 1 1       1    9   35 o    2.972000      0.5643000       2.213000 0.8107000       3.732000      0.7852000      -1.518000       1.129000
  1 1 1       1    9   36 o    6.788000      0.3174000       6.937000 0.4245000       6.638000      0.4720000      0.2981000      0.6349000
  1 1 1       1    9   37 o    4.896000      0.4140000       4.871000 0.5825000       4.920000      0.5885000     -0.4867000E-01  0.8280000
  1 1 1       1   10    0 o    34.19000      0.7029000       34.06000 0.9327000       34.32000       1.052000     -0.2598000       1.406000
  1 1 1       1   10    2 o    29.03000      0.5989000       28.49000 0.7876000       29.57000      0.9026000      -1.083000       1.198000
  1 1 1       1   10    3 o    8.149000      0.3023000       7.992000 0.3304000       8.307000      0.5064000     -0.3149000      0.6047000
  1 1 1       1   10    5 o    10.95000      0.2323000       10.89000 0.2917000       11.01000      0.3616000     -0.1192000      0.4646000
  1 1 1       1   10    6 o    23.29000      0.3253000       23.19000 0.4623000       23.40000      0.4577000     -0.2137000      0.6506000
  1 1 1       1   10    7 o    6.335000      0.1534000       6.289000 0.2254000       6.381000      0.2082000     -0.9176000E-01  0.3069000
  1 1 1       1   10    8 o    11.63000      0.2240000       11.67000 0.2626000       11.60000      0.3630000      0.7554000E-01  0.4480000
  1 1 1       1   10    9 o    3.329000      0.1942000       3.467000 0.2731000       3.191000      0.2762000      0.2765000      0.3884000
  1 1 1       1   10   10 o    12.19000      0.1867000       12.17000 0.2648000       12.21000      0.2633000     -0.3366000E-01  0.3734000
  1 1 1       1   10   11 o    22.14000      0.3064000       22.26000 0.4353000       22.03000      0.4312000      0.2327000      0.6127000
  1 1 1       1   10   12 o   0.8747000      0.2892000      0.9236000 0.4228000      0.8259000      0.3947000      0.9777000E-01  0.5784000
  1 1 1       1   10   13 o    5.879000      0.1656000       5.750000 0.2368000       6.008000      0.2315000     -0.2583000      0.3312000
  1 1 1       1   10   14 o    5.832000      0.1723000       5.885000 0.2414000       5.779000      0.2458000      0.1064000      0.3445000
  1 1 1       1   10   15 o    2.240000      0.3875000       2.151000 0.6140000       2.329000      0.4729000     -0.1783000      0.7750000
  1 1 1       1   10   16 o    4.579000      0.2038000       4.474000 0.2896000       4.685000      0.2868000     -0.2103000      0.4076000
  1 1 1       1   10   17 o    5.118000      0.1991000       4.890000 0.2808000       5.346000      0.2824000     -0.4560000      0.3983000
  1 1 1       1   10   18 o    2.620000      0.3710000       1.993000 0.6096000       3.248000      0.4231000      -1.255000      0.7421000
  1 1 1       1   10   19 o    8.054000      0.1920000       7.997000 0.2732000       8.112000      0.2698000     -0.1153000      0.3840000
  1 1 1       1   10   20 o    7.928000      0.1992000       8.170000 0.2820000       7.686000      0.2815000      0.4837000      0.3984000
  1 1 1       1   10   21 o    7.652000      0.2050000       7.635000 0.2893000       7.669000      0.2905000     -0.3446000E-01  0.4100000
  1 1 1       1   10   22 o    4.444000      0.2777000       4.593000 0.3844000       4.295000      0.4008000      0.2982000      0.5553000
  1 1 1       1   10   23 o    4.183000      0.3152000       3.953000 0.4583000       4.413000      0.4329000     -0.4592000      0.6304000
  1 1 1       1   10   24 o    7.129000      0.3102000       7.404000 0.4044000       6.853000      0.4705000      0.5511000      0.6204000
  1 1 1       1   10   25 o    5.362000      0.3022000       5.193000 0.4800000       5.531000      0.3673000     -0.3373000      0.6044000
  1 1 1       1   10   26 o    3.242000      0.4593000       3.508000 0.5848000       2.977000      0.7083000      0.5311000      0.9186000
  1 1 1       1   10   27 o    10.79000      0.3313000       10.69000 0.4707000       10.88000      0.4664000     -0.1949000      0.6627000
  1 1 1       1   10   28 o    6.285000      0.4086000       5.953000 0.5803000       6.617000      0.5754000     -0.6640000      0.8172000
  1 1 1       1   10   29 o    10.23000      0.2402000       10.01000 0.3222000       10.44000      0.3563000     -0.4373000      0.4804000
  1 1 1       1   10   30 o    11.67000      0.2462000       11.25000 0.3333000       12.08000      0.3624000     -0.8327000      0.4924000
  1 1 1       1   10   31 o    7.653000      0.2785000       7.147000 0.3763000       8.159000      0.4107000      -1.013000      0.5571000
  1 1 1       1   10   32 o    2.281000      0.5749000       2.192000 0.7590000       2.371000      0.8636000     -0.1792000       1.150000
  1 1 1       1   10   33 o    2.975000      0.5858000       3.170000 0.7386000       2.780000      0.9096000      0.3896000       1.172000
  1 1 1       1   10   34 o    9.153000      0.2725000       9.130000 0.3598000       9.176000      0.4094000     -0.4641000E-01  0.5450000
  1 1 1       1   10   35 o    2.112000      0.5747000       2.271000 0.8053000       1.953000      0.8201000      0.3181000       1.149000
  1 1 1       1   10   36 o    6.388000      0.3323000       6.798000 0.4367000       5.979000      0.5009000      0.8186000      0.6646000
  1 1 1       1   11    0 o    12.41000      0.2525000       12.80000 0.3568000       12.01000      0.3572000      0.7876000      0.5049000
  1 1 1       1   11    1 o    24.66000      0.5653000       25.48000 0.7226000       23.83000      0.8696000       1.651000       1.131000
  1 1 1       1   11    2 o    15.16000      0.3053000       15.25000 0.4455000       15.07000      0.4176000      0.1796000      0.6106000
  1 1 1       1   11    3 o    14.16000      0.2700000       13.89000 0.3930000       14.44000      0.3704000     -0.5467000      0.5401000
  1 1 1       1   11    4 o    19.15000      0.3093000       19.19000 0.4586000       19.11000      0.4152000      0.7943000E-01  0.6186000
  1 1 1       1   11    5 o    17.44000      0.2665000       17.41000 0.3883000       17.46000      0.3652000     -0.4486000E-01  0.5331000
  1 1 1       1   11    6 o    29.06000      0.4005000       29.52000 0.5782000       28.60000      0.5543000      0.9214000      0.8010000
  1 1 1       1   11    7 o    10.95000      0.1846000       11.19000 0.2686000       10.72000      0.2534000      0.4659000      0.3693000
  1 1 1       1   11    8 o    9.708000      0.1684000       9.883000 0.2439000       9.533000      0.2321000      0.3505000      0.3367000
  1 1 1       1   11    9 o    14.29000      0.2118000       14.49000 0.3048000       14.08000      0.2940000      0.4068000      0.4235000
  1 1 1       1   11   10 o    9.094000      0.1610000       8.893000 0.2267000       9.295000      0.2286000     -0.4017000      0.3219000
  1 1 1       1   11   11 o    14.43000      0.2132000       14.24000 0.2997000       14.62000      0.3035000     -0.3840000      0.4265000
  1 1 1       1   11   12 o    10.23000      0.1734000       10.24000 0.2467000       10.22000      0.2437000      0.1975000E-01  0.3468000
  1 1 1       1   11   13 o    4.164000      0.1991000       4.043000 0.2900000       4.284000      0.2730000     -0.2405000      0.3983000
  1 1 1       1   11   14 o    10.32000      0.1795000       10.36000 0.2544000       10.27000      0.2534000      0.8315000E-01  0.3591000
  1 1 1       1   11   15 o    2.712000      0.3060000       2.838000 0.4161000       2.586000      0.4489000      0.2525000      0.6120000
  1 1 1       1   11   16 o    3.188000      0.2824000       2.875000 0.4355000       3.501000      0.3594000     -0.6260000      0.5647000
  1 1 1       1   11   17 o    6.657000      0.1893000       6.446000 0.2730000       6.868000      0.2624000     -0.4222000      0.3787000
  1 1 1       1   11   18 o    4.486000      0.2343000       4.334000 0.3417000       4.637000      0.3207000     -0.3034000      0.4686000
  1 1 1       1   11   19 o    7.796000      0.1979000       7.946000 0.2832000       7.647000      0.2764000      0.2987000      0.3957000
  1 1 1       1   11   20 o    8.183000      0.2002000       8.223000 0.2867000       8.143000      0.2796000      0.8009000E-01  0.4004000
  1 1 1       1   11   21 o    2.768000      0.3950000       2.675000 0.5563000       2.860000      0.5608000     -0.1855000      0.7899000
  1 1 1       1   11   22 o    2.344000      0.5242000       2.245000 0.7212000       2.443000      0.7609000     -0.1982000       1.048000
  1 1 1       1   11   23 f    6.234000      0.3141000       6.889000 0.4017000       5.579000      0.4830000       1.310000      0.6281000
  1 1 1       1   11   24 o    10.17000      0.2222000       9.979000 0.3211000       10.37000      0.3074000     -0.3909000      0.4445000
  1 1 1       1   11   25 o    3.956000      0.3617000       3.988000 0.5009000       3.924000      0.5219000      0.6306000E-01  0.7234000
  1 1 1       1   11   26 o    11.83000      0.3673000       12.05000 0.5519000       11.62000      0.4848000      0.4281000      0.7346000
  1 1 1       1   11   27 o    11.98000      0.2989000       11.63000 0.3404000       12.33000      0.4914000     -0.6948000      0.5977000
  1 1 1       1   11   28 o    11.98000      0.2481000       11.71000 0.3465000       12.25000      0.3551000     -0.5430000      0.4961000
  1 1 1       1   11   29 o    10.95000      0.2401000       11.24000 0.3244000       10.66000      0.3539000      0.5796000      0.4801000
  1 1 1       1   11   30 o    3.660000      0.4643000       3.527000 0.6147000       3.793000      0.6960000     -0.2656000      0.9286000
  1 1 1       1   11   31 o    8.885000      0.2678000       8.856000 0.3601000       8.914000      0.3965000     -0.5848000E-01  0.5356000
  1 1 1       1   11   32 o    9.458000      0.2693000       9.839000 0.3460000       9.076000      0.4128000      0.7636000      0.5387000
  1 1 1       1   11   33 o    2.314000      0.5700000       2.705000 0.7890000       1.922000      0.8228000      0.7827000       1.140000
  1 1 1       1   11   34 o    3.732000      0.5016000       3.273000 0.7302000       4.190000      0.6878000     -0.9173000       1.003000
  1 1 1       1   11   35 o    2.623000      0.5881000       2.129000 0.8046000       3.117000      0.8579000     -0.9875000       1.176000
  1 1 1       1   11   36 o    2.507000      0.5964000       2.218000 0.8350000       2.796000      0.8517000     -0.5781000       1.193000
  1 1 1       1   12    0 o    14.07000      0.2850000       13.76000 0.3843000       14.38000      0.4211000     -0.6149000      0.5701000
  1 1 1       1   12    1 o    20.16000      0.4948000       20.29000 0.4920000       20.03000      0.8586000      0.2604000      0.9896000
  1 1 1       1   12    2 o    23.09000      0.4415000       22.86000 0.5580000       23.31000      0.6843000     -0.4514000      0.8829000
  1 1 1       1   12    3 o    4.771000      0.4384000       3.732000 0.6493000       5.809000      0.5892000      -2.078000      0.8768000
  1 1 1       1   12    4 o    32.45000      0.4611000       32.37000 0.6633000       32.54000      0.6406000     -0.1612000      0.9221000
  1 1 1       1   12    5 o    14.33000      0.3101000       14.92000 0.4377000       13.74000      0.4394000       1.183000      0.6202000
  1 1 1       1   12    6 o    11.10000      0.2431000       10.58000 0.2927000       11.62000      0.3881000      -1.041000      0.4861000
  1 1 1       1   12    7 o    5.391000      0.1928000       5.525000 0.2801000       5.257000      0.2649000      0.2680000      0.3855000
  1 1 1       1   12    8 o    5.292000      0.1790000       5.362000 0.2583000       5.223000      0.2477000      0.1389000      0.3579000
  1 1 1       1   12    9 o    6.357000      0.1689000       6.686000 0.2451000       6.028000      0.2325000      0.6585000      0.3378000
  1 1 1       1   12   10 o    14.92000      0.2223000       15.10000 0.3196000       14.74000      0.3090000      0.3637000      0.4445000
  1 1 1       1   12   11 o    7.341000      0.1589000       7.333000 0.2256000       7.348000      0.2238000     -0.1420000E-01  0.3178000
  1 1 1       1   12   12 o    6.385000      0.1671000       6.456000 0.2416000       6.313000      0.2310000      0.1432000      0.3343000
  1 1 1       1   12   13 o    2.513000      0.3201000       2.373000 0.4855000       2.654000      0.4172000     -0.2814000      0.6401000
  1 1 1       1   12   14 o    3.764000      0.2301000       3.734000 0.3277000       3.795000      0.3233000     -0.6038000E-01  0.4603000
  1 1 1       1   12   15 o    1.712000      0.3831000       2.015000 0.5396000       1.408000      0.5439000      0.6075000      0.7661000
  1 1 1       1   12   16 o    4.838000      0.2128000       4.841000 0.3010000       4.836000      0.3010000      0.4703000E-02  0.4257000
  1 1 1       1   12   17 o    3.367000      0.2929000       3.577000 0.3992000       3.158000      0.4287000      0.4187000      0.5858000
  1 1 1       1   12   18 o    5.931000      0.2116000       5.727000 0.3091000       6.134000      0.2892000     -0.4068000      0.4233000
  1 1 1       1   12   19 f    6.368000      0.2083000       6.524000 0.2938000       6.212000      0.2954000      0.3118000      0.4166000
  1 1 1       1   12   20 o    11.72000      0.2832000       11.74000 0.3957000       11.70000      0.4052000      0.4297000E-01  0.5664000
  1 1 1       1   12   21 o    4.297000      0.3600000       4.091000 0.5058000       4.503000      0.5124000     -0.4123000      0.7200000
  1 1 1       1   12   22 o    7.710000      0.2154000       7.597000 0.3082000       7.823000      0.3011000     -0.2259000      0.4309000
  1 1 1       1   12   23 o    11.78000      0.2250000       11.88000 0.3227000       11.69000      0.3135000      0.1875000      0.4499000
  1 1 1       1   12   24 o    14.25000      0.3685000       14.59000 0.5453000       13.90000      0.4958000      0.6966000      0.7370000
  1 1 1       1   12   25 o    9.552000      0.3593000       9.574000 0.5544000       9.531000      0.4572000      0.4353000E-01  0.7186000
  1 1 1       1   12   26 o    9.708000      0.2389000       9.601000 0.3416000       9.815000      0.3342000     -0.2133000      0.4779000
  1 1 1       1   12   27 o    10.38000      0.2410000       10.15000 0.3413000       10.60000      0.3404000     -0.4545000      0.4820000
  1 1 1       1   12   28 o    7.320000      0.2702000       7.571000 0.3662000       7.069000      0.3974000      0.5017000      0.5404000
  1 1 1       1   12   29 o    4.206000      0.4055000       4.266000 0.5503000       4.146000      0.5957000      0.1198000      0.8110000
  1 1 1       1   12   30 o    3.560000      0.5189000       3.928000 0.6383000       3.191000      0.8183000      0.7367000       1.038000
  1 1 1       1   12   31 f    9.498000      0.2642000       9.479000 0.3492000       9.516000      0.3967000     -0.3718000E-01  0.5285000
  1 1 1       1   12   32 o    5.604000      0.3444000       5.760000 0.4409000       5.449000      0.5293000      0.3115000      0.6888000
  1 1 1       1   12   33 o    2.785000      0.5903000       2.236000 0.8098000       3.334000      0.8591000      -1.099000       1.181000
  1 1 1       1   12   34 o    5.753000      0.3502000       5.512000 0.4787000       5.993000      0.5112000     -0.4812000      0.7004000
  1 1 1       1   12   35 o    1.776000      0.5479000       1.647000 0.7345000       1.905000      0.8132000     -0.2584000       1.096000
  1 1 1       1   12   36 o    2.299000      0.5781000       1.871000 0.7914000       2.727000      0.8430000     -0.8558000       1.156000
  1 1 1       1   13    0 o    3.977000      0.5197000       4.198000 0.8251000       3.757000      0.6322000      0.4408000       1.039000
  1 1 1       1   13    1 f    5.358000      0.4691000       5.267000 0.7253000       5.448000      0.5950000     -0.1810000      0.9382000
  1 1 1       1   13    2 o    26.90000      0.4236000       26.57000 0.6062000       27.24000      0.5918000     -0.6663000      0.8471000
  1 1 1       1   13    3 o    6.872000      0.3428000       6.885000 0.4387000       6.859000      0.5270000      0.2685000E-01  0.6857000
  1 1 1       1   13    4 o    4.351000      0.4257000       4.168000 0.5425000       4.534000      0.6563000     -0.3661000      0.8515000
  1 1 1       1   13    5 o    8.767000      0.2416000       8.508000 0.3365000       9.026000      0.3469000     -0.5171000      0.4833000
  1 1 1       1   13    6 f    4.306000      0.2825000       4.199000 0.4058000       4.412000      0.3931000     -0.2125000      0.5650000
  1 1 1       1   13    7 o    4.634000      0.2614000       5.133000 0.3369000       4.135000      0.3999000      0.9981000      0.5229000
  1 1 1       1   13    8 o    4.455000      0.2248000       4.301000 0.3331000       4.609000      0.3020000     -0.3083000      0.4497000
  1 1 1       1   13    9 o    9.420000      0.2067000       9.558000 0.3341000       9.282000      0.2436000      0.2760000      0.4135000
  1 1 1       1   13   10 o    7.657000      0.1741000       7.630000 0.2534000       7.684000      0.2388000     -0.5378000E-01  0.3482000
  1 1 1       1   13   11 o    8.077000      0.1744000       8.281000 0.2525000       7.872000      0.2405000      0.4098000      0.3487000
  1 1 1       1   13   12 o    1.570000      0.3876000       1.756000 0.5611000       1.385000      0.5350000      0.3709000      0.7753000
  1 1 1       1   13   13 o    2.554000      0.3409000       1.959000 0.5718000       3.149000      0.3712000      -1.190000      0.6817000
  1 1 1       1   13   14 o    9.363000      0.1809000       9.347000 0.2577000       9.379000      0.2538000     -0.3242000E-01  0.3617000
  1 1 1       1   13   15 o    2.075000      0.3913000       2.493000 0.5322000       1.657000      0.5738000      0.8354000      0.7826000
  1 1 1       1   13   16 o    2.291000      0.5645000       2.291000 0.5645000                  ?              ?              ?              ?
  1 1 1       1   13   17 o    3.110000      0.3118000       3.329000 0.4162000       2.891000      0.4643000      0.4383000      0.6236000
  1 1 1       1   13   18 o    5.119000      0.4444000                  ?       ?   5.119000      0.4444000                  ?              ?
  1 1 1       1   13   19 o    6.295000      0.2741000       5.854000 0.3925000       6.737000      0.3827000     -0.8830000      0.5482000
  1 1 1       1   13   20 o    11.84000      0.2155000       11.53000 0.3071000       12.14000      0.3023000     -0.6140000      0.4309000
  1 1 1       1   13   21 o    6.815000      0.2203000       6.815000 0.3119000       6.815000      0.3111000     -0.2413000E-03  0.4405000
  1 1 1       1   13   22 o    2.213000      0.6059000       2.027000 0.8753000       2.399000      0.8379000     -0.3717000       1.212000
  1 1 1       1   13   23 o    12.46000      0.3508000       12.46000 0.5223000       12.47000      0.4685000     -0.2137000E-02  0.7017000
  1 1 1       1   13   24 o    13.62000      0.2416000       13.72000 0.3459000       13.51000      0.3375000      0.2105000      0.4833000
  1 1 1       1   13   25 o    7.222000      0.2545000       7.045000 0.3607000       7.399000      0.3593000     -0.3540000      0.5091000
  1 1 1       1   13   26 o    4.999000      0.3160000       5.144000 0.4329000       4.855000      0.4606000      0.2887000      0.6321000
  1 1 1       1   13   27 o    7.357000      0.2618000       7.490000 0.3610000       7.224000      0.3793000      0.2662000      0.5236000
  1 1 1       1   13   28 f    2.431000      0.5399000       2.110000 0.7780000       2.752000      0.7487000     -0.6422000       1.080000
  1 1 1       1   13   29 o    6.205000      0.3141000       6.084000 0.4379000       6.326000      0.4504000     -0.2421000      0.6282000
  1 1 1       1   13   30 o    2.032000      0.5728000       1.744000 0.7472000       2.320000      0.8685000     -0.5761000       1.146000
  1 1 1       1   13   31 o    6.616000      0.3208000       6.756000 0.4347000       6.476000      0.4719000      0.2795000      0.6416000
  1 1 1       1   13   32 o    2.260000      0.6040000       2.402000 0.8680000       2.118000      0.8403000      0.2846000       1.208000
  1 1 1       1   13   33 o    2.248000      0.5883000       1.946000 0.7890000       2.549000      0.8728000     -0.6037000       1.177000
  1 1 1       1   13   34 o    2.736000      0.5976000       3.065000 0.8058000       2.407000      0.8826000      0.6583000       1.195000
  1 1 1       1   13   35 o    2.442000      0.5976000       1.947000 0.8025000       2.936000      0.8856000     -0.9897000       1.195000
  1 1 1       1   14    0 o    16.47000      0.3231000       16.53000 0.4325000       16.42000      0.4802000      0.1077000      0.6463000
  1 1 1       1   14    1 o    18.57000      0.3396000       19.01000 0.4860000       18.12000      0.4745000      0.8892000      0.6792000
  1 1 1       1   14    2 o    3.565000      0.7589000       4.066000 1.060000       3.064000       1.086000       1.002000       1.518000
  1 1 1       1   14    3 o    17.43000      0.4039000       17.50000 0.4766000       17.37000      0.6521000      0.1314000      0.8077000
  1 1 1       1   14    4 o    10.03000      0.3015000       10.84000 0.4127000       9.216000      0.4396000       1.623000      0.6029000
  1 1 1       1   14    5 o    6.907000      0.2867000       6.893000 0.3850000       6.921000      0.4250000     -0.2861000E-01  0.5735000
  1 1 1       1   14    6 o    11.66000      0.2426000       11.36000 0.3541000       11.97000      0.3317000     -0.6176000      0.4852000
  1 1 1       1   14    7 o    12.43000      0.2321000       12.71000 0.3441000       12.16000      0.3116000      0.5554000      0.4642000
  1 1 1       1   14    8 o    7.841000      0.1992000       7.976000 0.2924000       7.706000      0.2707000      0.2699000      0.3984000
  1 1 1       1   14    9 o    16.32000      0.2501000       16.28000 0.3600000       16.36000      0.3473000     -0.8040000E-01  0.5003000
  1 1 1       1   14   10 o    7.915000      0.1835000       7.701000 0.2689000       8.130000      0.2498000     -0.4281000      0.3670000
  1 1 1       1   14   11 o    4.326000      0.2340000       4.653000 0.3287000       3.999000      0.3332000      0.6544000      0.4681000
  1 1 1       1   14   12 o    3.616000      0.2745000       3.464000 0.4238000       3.767000      0.3491000     -0.3029000      0.5491000
  1 1 1       1   14   13 f    8.503000      0.1783000       8.314000 0.2576000       8.691000      0.2465000     -0.3772000      0.3565000
  1 1 1       1   14   14 o    7.134000      0.1815000       6.886000 0.2627000       7.381000      0.2505000     -0.4948000      0.3630000
  1 1 1       1   14   15 f    8.908000      0.2577000       8.815000 0.3632000       9.000000      0.3658000     -0.1846000      0.5155000
  1 1 1       1   14   16 o    6.815000      0.3751000       6.815000 0.3751000                  ?              ?              ?              ?
  1 1 1       1   14   17 o    9.395000      0.2569000                  ?       ?   9.395000      0.2569000                  ?              ?
  1 1 1       1   14   18 o    6.972000      0.2777000                  ?       ?   6.972000      0.2777000                  ?              ?
  1 1 1       1   14   19 o    12.00000      0.2149000       11.96000 0.3091000       12.03000      0.2985000     -0.6870000E-01  0.4298000
  1 1 1       1   14   20 o    9.836000      0.3226000       10.02000 0.4846000       9.654000      0.4262000      0.3643000      0.6453000
  1 1 1       1   14   21 o    7.122000      0.3586000       7.442000 0.5423000       6.803000      0.4694000      0.6386000      0.7172000
  1 1 1       1   14   22 o    8.959000      0.2195000       8.916000 0.3130000       9.001000      0.3079000     -0.8485000E-01  0.4390000
  1 1 1       1   14   23 o    23.11000      0.3354000       23.26000 0.4788000       22.96000      0.4699000      0.3066000      0.6709000
  1 1 1       1   14   24 o    10.43000      0.2279000       10.57000 0.3266000       10.29000      0.3181000      0.2750000      0.4559000
  1 1 1       1   14   25 o    13.84000      0.2493000       13.96000 0.3578000       13.72000      0.3471000      0.2435000      0.4985000
  1 1 1       1   14   26 o    4.261000      0.3737000       4.146000 0.5307000       4.377000      0.5262000     -0.2307000      0.7473000
  1 1 1       1   14   27 o    2.389000      0.5218000       1.937000 0.7515000       2.840000      0.7242000     -0.9033000       1.044000
  1 1 1       1   14   28 o    4.078000      0.4278000       4.193000 0.5908000       3.963000      0.6188000      0.2295000      0.8556000
  1 1 1       1   14   29 o    3.904000      0.4883000       3.250000 0.7793000       4.557000      0.5885000      -1.307000      0.9766000
  1 1 1       1   14   30 o    6.716000      0.3172000       6.392000 0.4713000       7.040000      0.4248000     -0.6481000      0.6345000
  1 1 1       1   14   31 o    2.612000      0.6042000       2.853000 0.8578000       2.371000      0.8510000      0.4824000       1.208000
  1 1 1       1   14   32 o    4.407000      0.4523000       4.395000 0.6247000       4.419000      0.6542000     -0.2456000E-01  0.9046000
  1 1 1       1   14   33 o    5.712000      0.3708000       5.395000 0.5283000       6.029000      0.5203000     -0.6344000      0.7415000
  1 1 1       1   14   34 o    3.259000      0.5652000       2.443000 0.8497000       4.075000      0.7457000      -1.632000       1.130000
  1 1 1       1   14   35 o    2.169000      0.6070000       2.167000 0.8521000       2.170000      0.8649000     -0.2941000E-02   1.214000
  1 1 1       1   15    0 o    6.824000      0.4084000       6.698000 0.6688000       6.951000      0.4690000     -0.2529000      0.8168000
  1 1 1       1   15    1 o    8.163000      0.3514000       8.879000 0.5120000       7.447000      0.4814000       1.432000      0.7027000
  1 1 1       1   15    2 o    11.62000      0.3739000       11.42000 0.5287000       11.82000      0.5290000     -0.4065000      0.7479000
  1 1 1       1   15    3 o    6.100000      0.4552000       6.437000 0.5317000       5.763000      0.7391000      0.6732000      0.9105000
  1 1 1       1   15    4 o    8.930000      0.4109000       8.905000 0.4447000       8.955000      0.6910000     -0.4985000E-01  0.8217000
  1 1 1       1   15    5 o    9.315000      0.2862000       9.417000 0.3795000       9.213000      0.4284000      0.2032000      0.5724000
  1 1 1       1   15    6 o    13.02000      0.6058000       13.26000 1.056000       12.77000      0.5939000      0.4855000       1.212000
  1 1 1       1   15    7 o    7.170000      0.2466000       6.863000 0.3531000       7.476000      0.3445000     -0.6131000      0.4933000
  1 1 1       1   15    8 o    9.730000      0.2134000       9.592000 0.3162000       9.867000      0.2866000     -0.2742000      0.4267000
  1 1 1       1   15    9 o    5.822000      0.2205000       5.872000 0.3172000       5.773000      0.3064000      0.9895000E-01  0.4410000
  1 1 1       1   15   10 o    10.61000      0.2058000       10.77000 0.3008000       10.45000      0.2809000      0.3200000      0.4115000
  1 1 1       1   15   11 o    5.025000      0.2281000       4.414000 0.3572000       5.636000      0.2839000      -1.222000      0.4563000
  1 1 1       1   15   12 o    4.705000      0.4135000       3.841000 0.6830000       5.569000      0.4661000      -1.728000      0.8269000
  1 1 1       1   15   13 o    9.226000      0.2904000       9.413000 0.4166000       9.039000      0.4047000      0.3740000      0.5808000
  1 1 1       1   15   14 o    6.969000      0.2717000       6.834000 0.3890000       7.104000      0.3794000     -0.2703000      0.5434000
  1 1 1       1   15   15 o    7.443000      0.2390000       7.250000 0.2781000       7.635000      0.3889000     -0.3852000      0.4781000
  1 1 1       1   15   16 o    9.893000      0.1972000       10.24000 0.2821000       9.548000      0.2757000      0.6905000      0.3945000
  1 1 1       1   15   17 o    2.830000      0.4852000       3.464000 0.7772000       2.196000      0.5812000       1.268000      0.9705000
  1 1 1       1   15   18 o    9.798000      0.3023000       9.342000 0.4484000       10.25000      0.4055000     -0.9118000      0.6045000
  1 1 1       1   15   19 f    7.184000      0.3461000       7.264000 0.5370000       7.104000      0.4368000      0.1596000      0.6922000
  1 1 1       1   15   20 o    8.430000      0.2126000       9.007000 0.3033000       7.853000      0.2981000       1.154000      0.4253000
  1 1 1       1   15   21 o    4.108000      0.3228000       4.286000 0.4528000       3.929000      0.4602000      0.3570000      0.6456000
  1 1 1       1   15   22 o    3.818000      0.3602000       3.801000 0.5175000       3.835000      0.5012000     -0.3381000E-01  0.7205000
  1 1 1       1   15   23 o    9.739000      0.2249000       9.906000 0.3260000       9.571000      0.3100000      0.3357000      0.4499000
  1 1 1       1   15   24 o    3.514000      0.4219000       3.432000 0.6015000       3.596000      0.5919000     -0.1640000      0.8439000
  1 1 1       1   15   25 o    9.263000      0.2368000       9.466000 0.3411000       9.060000      0.3287000      0.4056000      0.4737000
  1 1 1       1   15   26 o    9.252000      0.2385000       9.352000 0.3409000       9.152000      0.3338000      0.2005000      0.4771000
  1 1 1       1   15   27 o    6.375000      0.2787000       6.467000 0.3935000       6.282000      0.3948000      0.1851000      0.5575000
  1 1 1       1   15   28 o    2.669000      0.5607000       2.699000 0.7992000       2.640000      0.7867000      0.5953000E-01   1.121000
  1 1 1       1   15   29 o    3.109000      0.5598000       3.221000 0.7696000       2.997000      0.8131000      0.2243000       1.120000
  1 1 1       1   15   30 o    6.654000      0.3294000       6.631000 0.4806000       6.677000      0.4507000     -0.4565000E-01  0.6589000
  1 1 1       1   15   31 o    5.435000      0.3854000       4.883000 0.6073000       5.987000      0.4747000      -1.104000      0.7708000
  1 1 1       1   15   32 o    4.028000      0.5134000       3.626000 0.7905000       4.431000      0.6553000     -0.8045000       1.027000
  1 1 1       1   15   33 o    1.891000      0.5652000       1.942000 0.7978000       1.840000      0.8006000      0.1024000       1.130000
  1 1 1       1   15   34 o    3.025000      0.6059000       3.470000 0.8114000       2.580000      0.9001000      0.8902000       1.212000
  1 1 1       1   16    0 o    7.628000      0.5197000       7.308000 0.9318000       7.947000      0.4604000     -0.6388000       1.039000
  1 1 1       1   16    1 o    7.800000      0.3960000       7.796000 0.6154000       7.803000      0.4986000     -0.7421000E-02  0.7920000
  1 1 1       1   16    2 o    4.486000      0.7795000       4.201000 1.144000       4.770000       1.059000     -0.5687000       1.559000
  1 1 1       1   16    3 f    3.378000      0.7158000       3.421000 0.9171000       3.334000       1.099000      0.8732000E-01   1.432000
  1 1 1       1   16    4 o    4.570000      0.5985000       5.333000 0.6047000       3.806000       1.033000       1.527000       1.197000
  1 1 1       1   16    5 f    3.320000      0.6046000       2.971000 0.8197000       3.669000      0.8889000     -0.6978000       1.209000
  1 1 1       1   16    6 o    2.086000      0.4678000       1.063000 0.5217000       3.108000      0.7767000      -2.045000      0.9357000
  1 1 1       1   16    7 o    1.725000      0.5129000       1.697000 0.7029000       1.753000      0.7471000     -0.5566000E-01   1.026000
  1 1 1       1   16    8 o    3.392000      0.7783000       3.046000 1.242000       3.738000      0.9389000     -0.6918000       1.557000
  1 1 1       1   16    9 o    2.405000      0.7352000       2.921000 1.204000       1.890000      0.8441000       1.032000       1.470000
  1 1 1       1   16   10 o    5.408000      0.6522000       4.526000 1.161000       6.289000      0.5948000      -1.762000       1.304000
  1 1 1       1   16   11 o    4.329000      0.2590000       3.696000 0.4117000       4.962000      0.3142000      -1.266000      0.5180000
  1 1 1       1   16   12 o    11.80000      0.2095000       11.87000 0.3048000       11.74000      0.2874000      0.1253000      0.4189000
  1 1 1       1   16   13 o    1.269000      0.3909000       1.571000 0.6273000      0.9676000      0.4666000      0.6031000      0.7818000
  1 1 1       1   16   14 o    3.654000      0.2939000       3.782000 0.4237000       3.526000      0.4074000      0.2559000      0.5878000
  1 1 1       1   16   15 o    4.927000      0.3292000       4.359000 0.5096000       5.494000      0.4167000      -1.135000      0.6583000
  1 1 1       1   16   16 o    3.987000      0.4595000       3.434000 0.7552000       4.540000      0.5237000      -1.106000      0.9190000
  1 1 1       1   16   17 o    5.085000      0.2559000       5.041000 0.3783000       5.129000      0.3446000     -0.8785000E-01  0.5117000
  1 1 1       1   16   18 o    9.158000      0.2117000       9.293000 0.3104000       9.024000      0.2881000      0.2698000      0.4235000
  1 1 1       1   16   19 o    5.696000      0.2565000       5.784000 0.3711000       5.607000      0.3543000      0.1763000      0.5131000
  1 1 1       1   16   20 o    8.523000      0.2198000       8.698000 0.3181000       8.348000      0.3035000      0.3502000      0.4396000
  1 1 1       1   16   21 o    6.265000      0.2438000       6.420000 0.3532000       6.109000      0.3363000      0.3105000      0.4877000
  1 1 1       1   16   22 f    4.448000      0.3329000       3.847000 0.5276000       5.048000      0.4060000      -1.201000      0.6657000
  1 1 1       1   16   23 o    7.781000      0.2387000       7.644000 0.3475000       7.917000      0.3272000     -0.2727000      0.4773000
  1 1 1       1   16   24 o    2.954000      0.4803000       3.643000 0.6050000       2.265000      0.7462000       1.378000      0.9607000
  1 1 1       1   16   25 o    4.139000      0.3913000       3.837000 0.5948000       4.440000      0.5087000     -0.6036000      0.7827000
  1 1 1       1   16   26 o    4.453000      0.3580000       4.422000 0.5131000       4.484000      0.4993000     -0.6191000E-01  0.7159000
  1 1 1       1   16   27 o    3.145000      0.5148000       2.849000 0.7531000       3.441000      0.7019000     -0.5919000       1.030000
  1 1 1       1   16   28 o    4.584000      0.3817000       4.625000 0.5406000       4.542000      0.5389000      0.8323000E-01  0.7634000
  1 1 1       1   16   29 o    5.249000      0.3921000       5.163000 0.5641000       5.335000      0.5446000     -0.1724000      0.7841000
  1 1 1       1   16   30 o    4.615000      0.4496000       5.291000 0.5608000       3.939000      0.7030000       1.351000      0.8993000
  1 1 1       1   16   31 o    2.794000      0.5468000       1.860000 0.8113000       3.729000      0.7333000      -1.869000       1.094000
  1 1 1       1   16   32 o    2.441000      0.5482000       3.355000 0.8306000       1.527000      0.7158000       1.829000       1.096000
  1 1 1       1   16   33 o    2.249000      0.5894000       2.409000 0.8607000       2.088000      0.8055000      0.3211000       1.179000
  1 1 1       1   16   34 o    2.441000      0.6967000       1.894000 0.8740000       2.988000       1.085000      -1.094000       1.393000
  1 1 1       1   17    0 o    4.295000      0.6281000       3.146000 1.098000       5.444000      0.6110000      -2.298000       1.256000
  1 1 1       1   17    1 o    9.458000      0.5028000       8.611000 0.8884000       10.30000      0.4713000      -1.693000       1.006000
  1 1 1       1   17    2 o    11.64000      0.8348000       10.35000 1.553000       12.93000      0.6121000      -2.578000       1.670000
  1 1 1       1   17    3 o    11.09000      0.9180000       12.75000 1.658000       9.432000      0.7886000       3.317000       1.836000
  1 1 1       1   17    4 o    5.591000       1.238000       5.596000 2.128000       5.587000       1.265000      0.9467000E-02   2.476000
  1 1 1       1   17    5 o    5.941000       1.146000       6.296000 1.960000       5.586000       1.189000      0.7104000       2.293000
  1 1 1       1   17    6 o    5.238000       1.151000       5.018000 1.937000       5.457000       1.244000     -0.4398000       2.302000
  1 1 1       1   17    7 o    3.376000      0.5085000       3.080000 0.7435000       3.671000      0.6937000     -0.5910000       1.017000
  1 1 1       1   17    8 o    1.697000      0.4941000       1.629000 0.6794000       1.766000      0.7177000     -0.1371000      0.9883000
  1 1 1       1   17    9 o    1.970000      0.4916000       2.124000 0.7183000       1.816000      0.6714000      0.3077000      0.9832000
  1 1 1       1   17   10 o    11.35000      0.2336000       11.27000 0.3413000       11.44000      0.3190000     -0.1714000      0.4672000
  1 1 1       1   17   11 o    7.448000      0.2565000       7.520000 0.3666000       7.377000      0.3587000      0.1426000      0.5129000
  1 1 1       1   17   12 o    3.785000      0.3739000       3.214000 0.6185000       4.357000      0.4205000      -1.143000      0.7479000
  1 1 1       1   17   13 o    4.547000      0.3022000       4.882000 0.4414000       4.212000      0.4128000      0.6703000      0.6043000
  1 1 1       1   17   14 o    2.103000      0.4548000       1.677000 0.6762000       2.529000      0.6084000     -0.8519000      0.9096000
  1 1 1       1   17   15 o    3.736000      0.3554000       3.234000 0.5923000       4.237000      0.3929000      -1.003000      0.7107000
  1 1 1       1   17   16 o    6.808000      0.2254000       6.956000 0.3287000       6.660000      0.3084000      0.2957000      0.4507000
  1 1 1       1   17   17 o    4.879000      0.2697000       5.173000 0.3884000       4.585000      0.3742000      0.5882000      0.5393000
  1 1 1       1   17   18 o    6.377000      0.2388000       6.369000 0.3542000       6.384000      0.3205000     -0.1540000E-01  0.4777000
  1 1 1       1   17   19 o    5.698000      0.2711000       5.375000 0.4238000       6.022000      0.3381000     -0.6471000      0.5421000
  1 1 1       1   17   20 o    8.233000      0.2273000       8.290000 0.3339000       8.176000      0.3086000      0.1134000      0.4546000
  1 1 1       1   17   21 o    5.666000      0.2793000       5.513000 0.4122000       5.820000      0.3769000     -0.3065000      0.5585000
  1 1 1       1   17   22 o    8.171000      0.2288000       8.073000 0.3341000       8.269000      0.3127000     -0.1959000      0.4576000
  1 1 1       1   17   23 o    4.345000      0.3481000       4.213000 0.5156000       4.478000      0.4679000     -0.2649000      0.6962000
  1 1 1       1   17   24 o    10.73000      0.2362000       10.69000 0.3441000       10.76000      0.3236000     -0.7357000E-01  0.4723000
  1 1 1       1   17   25 o    9.807000      0.2438000       9.538000 0.3498000       10.07000      0.3397000     -0.5364000      0.4876000
  1 1 1       1   17   26 f    4.385000      0.3823000       4.340000 0.5553000       4.429000      0.5256000     -0.8866000E-01  0.7646000
  1 1 1       1   17   27 o    5.740000      0.3285000       5.731000 0.4597000       5.750000      0.4695000     -0.1862000E-01  0.6571000
  1 1 1       1   17   28 o    2.577000      0.5867000       2.088000 0.8325000       3.067000      0.8269000     -0.9799000       1.173000
  1 1 1       1   17   29 o    3.539000      0.5620000       3.231000 0.8390000       3.847000      0.7479000     -0.6151000       1.124000
  1 1 1       1   17   30 o    2.786000      0.6017000       2.275000 0.8745000       3.297000      0.8269000      -1.023000       1.203000
  1 1 1       1   17   31 o    2.537000      0.5815000       3.326000 0.8763000       1.748000      0.7647000       1.579000       1.163000
  1 1 1       1   17   32 o    6.554000      0.4816000       6.574000 0.6546000       6.534000      0.7065000      0.4047000E-01  0.9631000
  1 1 1       1   17   33 o    2.023000      0.6167000       2.075000 0.8998000       1.972000      0.8435000      0.1037000       1.233000
  1 1 1       1   18    0 o    3.071000      0.6109000       1.949000 0.9237000       4.192000      0.7996000      -2.243000       1.222000
  1 1 1       1   18    1 o    5.324000      0.5892000       5.455000 0.9194000       5.194000      0.7371000      0.2614000       1.178000
  1 1 1       1   18    2 o    6.951000      0.5428000       6.724000 0.8023000       7.177000      0.7314000     -0.4531000       1.086000
  1 1 1       1   18    3 o    5.388000      0.5570000       5.017000 0.7217000       5.759000      0.8486000     -0.7420000       1.114000
  1 1 1       1   18    4 o    5.601000      0.5387000       5.956000 0.6268000       5.245000      0.8764000      0.7103000       1.077000
  1 1 1       1   18    5 o    7.268000      0.4802000       7.973000 0.5037000       6.562000      0.8177000       1.411000      0.9604000
  1 1 1       1   18    6 o    2.027000      0.5571000       2.262000 0.7968000       1.791000      0.7787000      0.4711000       1.114000
  1 1 1       1   18    7 o    5.952000      0.3370000       5.623000 0.4640000       6.282000      0.4889000     -0.6591000      0.6740000
  1 1 1       1   18    8 o    2.802000      0.5674000       2.449000 0.7911000       3.155000      0.8135000     -0.7064000       1.135000
  1 1 1       1   18    9 o    3.968000      0.3724000       3.863000 0.5470000       4.072000      0.5054000     -0.2095000      0.7447000
  1 1 1       1   18   10 o    5.575000      0.2713000       5.643000 0.3975000       5.506000      0.3692000      0.1377000      0.5425000
  1 1 1       1   18   11 o    1.570000      0.4337000       1.056000 0.5198000       2.084000      0.6944000      -1.028000      0.8674000
  1 1 1       1   18   12 o    6.037000      0.2589000       6.241000 0.3881000       5.832000      0.3427000      0.4091000      0.5178000
  1 1 1       1   18   13 o    5.965000      0.2527000       6.060000 0.3826000       5.870000      0.3303000      0.1901000      0.5054000
  1 1 1       1   18   14 o    5.454000      0.2580000       5.346000 0.3888000       5.562000      0.3392000     -0.2160000      0.5159000
  1 1 1       1   18   15 o    6.758000      0.2369000       6.625000 0.3481000       6.891000      0.3215000     -0.2664000      0.4739000
  1 1 1       1   18   16 o    5.611000      0.2728000       5.668000 0.4059000       5.555000      0.3645000      0.1127000      0.5455000
  1 1 1       1   18   17 o    6.745000      0.3677000       6.745000 0.3677000                  ?              ?              ?              ?
  1 1 1       1   18   18 o    4.246000      0.3422000       4.160000 0.5157000       4.332000      0.4499000     -0.1722000      0.6844000
  1 1 1       1   18   19 o    9.867000      0.3023000                  ?       ?   9.867000      0.3023000                  ?              ?
  1 1 1       1   18   20 o    5.281000      0.2962000       5.788000 0.4199000       4.775000      0.4179000       1.013000      0.5924000
  1 1 1       1   18   21 o    5.055000      0.3083000       5.184000 0.4442000       4.927000      0.4278000      0.2570000      0.6167000
  1 1 1       1   18   22 o    7.495000      0.2602000       7.415000 0.3817000       7.574000      0.3537000     -0.1588000      0.5204000
  1 1 1       1   18   23 o    2.202000      0.5457000       2.087000 0.7702000       2.318000      0.7732000     -0.2308000       1.091000
  1 1 1       1   18   24 o    8.068000      0.2545000       8.046000 0.3728000       8.090000      0.3466000     -0.4441000E-01  0.5091000
  1 1 1       1   18   25 o    9.363000      0.2495000       9.195000 0.3585000       9.531000      0.3471000     -0.3366000      0.4990000
  1 1 1       1   18   26 o    7.000000      0.2910000       7.523000 0.3921000       6.477000      0.4302000       1.046000      0.5821000
  1 1 1       1   18   27 o    3.724000      0.4825000       3.706000 0.6922000       3.742000      0.6724000     -0.3550000E-01  0.9650000
  1 1 1       1   18   28 o    2.754000      0.6036000       3.083000 0.8551000       2.424000      0.8521000      0.6597000       1.207000
  1 1 1       1   18   29 o    1.945000      0.5834000       1.998000 0.8348000       1.891000      0.8151000      0.1073000       1.167000
  1 1 1       1   18   30 f    2.572000      0.6869000       3.080000 1.018000       2.064000      0.9232000       1.016000       1.374000
  1 1 1       1   18   31 o    6.244000      0.4168000       6.707000 0.6702000       5.782000      0.4956000      0.9246000      0.8336000
  1 1 1       1   18   32 o    3.963000      0.5489000       4.027000 0.7532000       3.899000      0.7986000      0.1280000       1.098000
  1 1 1       1   19    0 o    6.913000      0.8907000       8.637000 0.7831000       5.189000       1.600000       3.448000       1.781000
  1 1 1       1   19    1 o    5.823000      0.9943000       5.433000 1.202000       6.213000       1.584000     -0.7797000       1.989000
  1 1 1       1   19    2 o    2.795000      0.8615000       2.626000 1.088000       2.965000       1.336000     -0.3392000       1.723000
  1 1 1       1   19    3 o    4.283000      0.7272000       4.831000 0.7555000       3.735000       1.243000       1.096000       1.454000
  1 1 1       1   19    4 o    8.527000      0.4494000       8.743000 0.5305000       8.312000      0.7255000      0.4312000      0.8988000
  1 1 1       1   19    5 o    3.970000      0.7663000       3.179000 1.172000       4.761000      0.9872000      -1.582000       1.533000
  1 1 1       1   19    6 o    2.559000      0.6370000       2.537000 0.8679000       2.581000      0.9326000     -0.4431000E-01   1.274000
  1 1 1       1   19    7 o    5.814000      0.3597000       5.763000 0.5033000       5.864000      0.5141000     -0.1006000      0.7195000
  1 1 1       1   19    8 o    5.041000      0.3818000       5.192000 0.5057000       4.889000      0.5721000      0.3032000      0.7635000
  1 1 1       1   19    9 o    1.988000      0.5196000       1.978000 0.7425000       1.998000      0.7269000     -0.2027000E-01   1.039000
  1 1 1       1   19   10 o    4.029000      0.3738000       4.549000 0.5044000       3.508000      0.5518000       1.041000      0.7477000
  1 1 1       1   19   11 o    1.814000      0.4934000       2.165000 0.7578000       1.462000      0.6321000      0.7030000      0.9868000
  1 1 1       1   19   12 o    6.324000      0.2668000       6.141000 0.4112000       6.508000      0.3400000     -0.3675000      0.5336000
  1 1 1       1   19   13 o    6.276000      0.2662000       6.140000 0.4208000       6.412000      0.3262000     -0.2717000      0.5325000
  1 1 1       1   19   14 o    3.088000      0.4281000       3.203000 0.6430000       2.972000      0.5654000      0.2314000      0.8562000
  1 1 1       1   19   15 o    6.853000      0.2527000       6.731000 0.3916000       6.976000      0.3196000     -0.2456000      0.5054000
  1 1 1       1   19   16 o    10.72000      0.2317000       10.60000 0.3389000       10.85000      0.3161000     -0.2434000      0.4634000
  1 1 1       1   19   17 o    1.997000      0.7856000       1.997000 0.7856000                  ?              ?              ?              ?
  1 1 1       1   19   18 o    9.978000      0.2336000       9.882000 0.3420000       10.07000      0.3184000     -0.1925000      0.4673000
  1 1 1       1   19   19 o    1.446000      0.6385000                  ?       ?   1.446000      0.6385000                  ?              ?
  1 1 1       1   19   20 o    5.811000      0.2913000       5.686000 0.4383000       5.937000      0.3839000     -0.2509000      0.5826000
  1 1 1       1   19   21 o    5.235000      0.3175000       4.930000 0.4909000       5.539000      0.4028000     -0.6093000      0.6350000
  1 1 1       1   19   22 o    3.399000      0.4797000       2.752000 0.7892000       4.047000      0.5457000      -1.295000      0.9595000
  1 1 1       1   19   23 o    2.066000      0.5547000       2.208000 0.8097000       1.925000      0.7585000      0.2826000       1.109000
  1 1 1       1   19   24 o    2.118000      0.5577000       2.527000 0.8346000       1.709000      0.7399000      0.8186000       1.115000
  1 1 1       1   19   25 o    5.183000      0.3626000       5.060000 0.5453000       5.306000      0.4782000     -0.2463000      0.7252000
  1 1 1       1   19   26 o    2.474000      0.5598000       1.941000 0.8053000       3.006000      0.7779000      -1.065000       1.120000
  1 1 1       1   19   27 o    4.429000      0.4423000       4.537000 0.6257000       4.322000      0.6253000      0.2150000      0.8846000
  1 1 1       1   19   28 o    3.026000      0.6876000       3.117000 0.9114000       2.936000       1.030000      0.1811000       1.375000
  1 1 1       1   19   29 o    2.537000      0.6476000       3.080000 0.9981000       1.994000      0.8255000       1.085000       1.295000
  1 1 1       1   19   30 o    3.470000      0.5914000       2.743000 0.9266000       4.198000      0.7349000      -1.455000       1.183000
  1 1 1       1   19   31 o    3.697000      0.5554000       3.468000 0.8076000       3.926000      0.7626000     -0.4581000       1.111000
  1 1 1       1   19   32 o    2.914000      0.6938000       2.183000 0.9660000       3.645000      0.9961000      -1.463000       1.388000
  1 1 1       1   20    0 o    4.031000      0.7022000       3.978000 1.134000       4.084000      0.8281000     -0.1058000       1.404000
  1 1 1       1   20    1 o    5.588000      0.5634000       6.857000 0.7278000       4.320000      0.8603000       2.538000       1.127000
  1 1 1       1   20    2 o    6.076000      0.5373000       5.356000 0.7382000       6.797000      0.7810000      -1.441000       1.075000
  1 1 1       1   20    3 o    4.640000      0.6505000       4.331000 0.7648000       4.948000       1.053000     -0.6176000       1.301000
  1 1 1       1   20    4 o    3.326000      0.7331000       3.576000 0.8891000       3.076000       1.166000      0.4998000       1.466000
  1 1 1       1   20    5 o    7.133000      0.4334000       7.350000 0.5108000       6.917000      0.7002000      0.4324000      0.8667000
  1 1 1       1   20    6 o    3.934000      0.5326000       3.534000 0.7769000       4.333000      0.7287000     -0.7987000       1.065000
  1 1 1       1   20    7 o    3.613000      0.5135000       3.273000 0.7534000       3.953000      0.6979000     -0.6802000       1.027000
  1 1 1       1   20    8 o    5.205000      0.3901000       4.229000 0.6075000       6.180000      0.4894000      -1.952000      0.7801000
  1 1 1       1   20    9 o    6.057000      0.3141000       6.595000 0.4237000       5.518000      0.4637000       1.077000      0.6281000
  1 1 1       1   20   10 o    3.113000      0.4782000       2.857000 0.7373000       3.369000      0.6091000     -0.5124000      0.9564000
  1 1 1       1   20   11 o    2.282000      0.5329000       2.130000 0.7713000       2.434000      0.7354000     -0.3034000       1.066000
  1 1 1       1   20   12 o    3.908000      0.4383000       3.166000 0.7454000       4.650000      0.4615000      -1.485000      0.8766000
  1 1 1       1   20   13 o    5.399000      0.3126000       5.397000 0.4997000       5.402000      0.3758000     -0.4554000E-02  0.6252000
  1 1 1       1   20   14 o    5.306000      0.3164000       5.213000 0.5002000       5.400000      0.3874000     -0.1876000      0.6327000
  1 1 1       1   20   15 o    10.29000      0.2391000       9.941000 0.3524000       10.65000      0.3233000     -0.7063000      0.4783000
  1 1 1       1   20   16 o    9.427000      0.2443000       9.338000 0.3600000       9.516000      0.3303000     -0.1775000      0.4886000
  1 1 1       1   20   17 o    3.951000      0.4182000       3.945000 0.6476000       3.956000      0.5293000     -0.1149000E-01  0.8364000
  1 1 1       1   20   18 o    5.831000      0.3233000       5.368000 0.5227000       6.294000      0.3806000     -0.9260000      0.6466000
  1 1 1       1   20   19 o    11.73000      0.2438000       11.51000 0.3468000       11.95000      0.3428000     -0.4434000      0.4876000
  1 1 1       1   20   20 o    6.406000      0.2945000       6.407000 0.4482000       6.405000      0.3820000      0.1187000E-02  0.5889000
  1 1 1       1   20   21 o    5.942000      0.3100000       5.724000 0.4719000       6.160000      0.4021000     -0.4359000      0.6200000
  1 1 1       1   20   22 o    3.262000      0.5170000       3.122000 0.8016000       3.401000      0.6533000     -0.2791000       1.034000
  1 1 1       1   20   23 o    9.505000      0.2639000       9.225000 0.3914000       9.786000      0.3541000     -0.5612000      0.5278000
  1 1 1       1   20   24 o    2.099000      0.5707000       1.776000 0.7804000       2.422000      0.8328000     -0.6460000       1.141000
  1 1 1       1   20   25 o    2.032000      0.6184000       1.637000 0.7712000       2.426000      0.9669000     -0.7888000       1.237000
  1 1 1       1   20   26 o    6.433000      0.4432000       6.148000 0.6098000       6.718000      0.6434000     -0.5703000      0.8864000
  1 1 1       1   20   27 o    4.381000      0.4782000       4.302000 0.6939000       4.460000      0.6583000     -0.1584000      0.9565000
  1 1 1       1   20   28 o    3.360000      0.6052000       3.216000 0.9014000       3.505000      0.8078000     -0.2892000       1.210000
  1 1 1       1   20   29 o    2.889000      0.7750000       2.937000 1.160000       2.841000       1.028000      0.9585000E-01   1.550000
  1 1 1       1   20   30 o    5.453000      0.6656000       5.488000 0.9903000       5.418000      0.8897000      0.6993000E-01   1.331000
  1 1 1       1   20   31 o    3.506000      0.6428000       3.225000 0.9690000       3.788000      0.8448000     -0.5635000       1.286000
  1 1 1       1   21    0 o    3.358000      0.6859000       2.619000 1.083000       4.097000      0.8412000      -1.478000       1.372000
  1 1 1       1   21    1 o    4.822000      0.6980000       4.311000 1.153000       5.332000      0.7865000      -1.020000       1.396000
  1 1 1       1   21    2 o    4.868000      0.7407000       5.281000 1.082000       4.454000       1.012000      0.8263000       1.481000
  1 1 1       1   21    3 o    4.579000      0.7294000       5.231000 0.8414000       3.926000       1.192000       1.305000       1.459000
  1 1 1       1   21    4 o    4.649000      0.7136000       5.090000 0.8131000       4.207000       1.173000      0.8831000       1.427000
  1 1 1       1   21    5 o    6.983000      0.4757000       6.679000 0.6261000       7.287000      0.7162000     -0.6083000      0.9513000
  1 1 1       1   21    6 o    1.941000      0.5898000       2.110000 0.8558000       1.772000      0.8118000      0.3386000       1.180000
  1 1 1       1   21    7 o    4.099000      0.4748000       3.905000 0.6899000       4.292000      0.6526000     -0.3863000      0.9497000
  1 1 1       1   21    8 o    8.077000      0.3088000       8.327000 0.4302000       7.827000      0.4431000      0.4995000      0.6176000
  1 1 1       1   21    9 o    5.574000      0.3709000       5.176000 0.5555000       5.972000      0.4916000     -0.7963000      0.7418000
  1 1 1       1   21   10 f    3.777000      0.4749000       3.919000 0.6792000       3.635000      0.6639000      0.2838000      0.9498000
  1 1 1       1   21   11 o    4.121000      0.4340000       3.780000 0.6700000       4.461000      0.5520000     -0.6809000      0.8681000
  1 1 1       1   21   12 o    6.586000      0.3011000       6.647000 0.4520000       6.525000      0.3981000      0.1226000      0.6023000
  1 1 1       1   21   13 o    7.712000      0.2857000       7.646000 0.4446000       7.778000      0.3589000     -0.1319000      0.5714000
  1 1 1       1   21   14 o    2.319000      0.5648000       2.888000 0.8608000       1.750000      0.7313000       1.138000       1.130000
  1 1 1       1   21   15 o    2.822000      0.5554000       2.600000 0.8432000       3.045000      0.7231000     -0.4450000       1.111000
  1 1 1       1   21   16 f    3.520000      0.4818000       3.358000 0.7686000       3.682000      0.5812000     -0.3245000      0.9636000
  1 1 1       1   21   17 o    7.991000      0.2708000       7.832000 0.4102000       8.149000      0.3537000     -0.3168000      0.5416000
  1 1 1       1   21   18 o    2.164000      0.5752000       2.146000 0.8393000       2.182000      0.7868000     -0.3588000E-01   1.150000
  1 1 1       1   21   19 o    7.528000      0.2917000       7.087000 0.4567000       7.970000      0.3630000     -0.8828000      0.5834000
  1 1 1       1   21   20 o    1.899000      0.5632000       1.746000 0.7844000       2.051000      0.8085000     -0.3051000       1.126000
  1 1 1       1   21   21 o    6.334000      0.3265000       6.424000 0.4904000       6.244000      0.4311000      0.1797000      0.6529000
  1 1 1       1   21   22 o    2.610000      0.5930000       2.608000 0.8784000       2.613000      0.7969000     -0.5414000E-02   1.186000
  1 1 1       1   21   23 o    9.264000      0.3602000       9.304000 0.4986000       9.225000      0.5199000      0.7889000E-01  0.7203000
  1 1 1       1   21   24 o    6.152000      0.4533000       6.433000 0.6212000       5.871000      0.6604000      0.5624000      0.9066000
  1 1 1       1   21   25 o    2.395000      0.6085000       2.777000 0.9019000       2.014000      0.8170000      0.7636000       1.217000
  1 1 1       1   21   26 o    7.444000      0.3336000       7.109000 0.4949000       7.780000      0.4475000     -0.6715000      0.6672000
  1 1 1       1   21   27 o    2.517000      0.7388000       3.136000 1.186000       1.898000      0.8806000       1.239000       1.478000
  1 1 1       1   21   28 o    3.039000      0.7956000       2.916000 1.179000       3.161000       1.069000     -0.2456000       1.591000
  1 1 1       1   21   29 o    1.976000      0.6016000       2.106000 0.8872000       1.846000      0.8128000      0.2608000       1.203000
  1 1 1       1   21   30 o    2.791000      0.6224000       3.568000 0.8954000       2.014000      0.8647000       1.554000       1.245000
  1 1 1       1   22    0 o    4.759000      0.6706000       5.177000 0.9872000       4.340000      0.9080000      0.8369000       1.341000
  1 1 1       1   22    1 o    3.534000      0.7965000       4.090000 1.195000       2.978000       1.053000       1.112000       1.593000
  1 1 1       1   22    2 o    5.017000      0.6751000       4.706000 1.031000       5.328000      0.8714000     -0.6218000       1.350000
  1 1 1       1   22    3 o    7.103000      0.4800000       6.847000 0.6775000       7.359000      0.6800000     -0.5124000      0.9599000
  1 1 1       1   22    4 o    6.391000      0.5981000       7.010000 0.6976000       5.773000      0.9718000       1.237000       1.196000
  1 1 1       1   22    5 f    5.028000      0.6671000       4.848000 0.8857000       5.208000      0.9978000     -0.3604000       1.334000
  1 1 1       1   22    6 f    4.642000      0.5063000       5.089000 0.6386000       4.196000      0.7858000      0.8929000       1.013000
  1 1 1       1   22    7 o    3.641000      0.5703000       3.919000 0.7165000       3.363000      0.8875000      0.5559000       1.141000
  1 1 1       1   22    8 o    8.947000      0.3313000       9.296000 0.4641000       8.599000      0.4729000      0.6961000      0.6626000
  1 1 1       1   22    9 o    4.758000      0.4657000       4.208000 0.7196000       5.309000      0.5913000      -1.101000      0.9314000
  1 1 1       1   22   10 o    1.958000      0.5428000       1.577000 0.7215000       2.339000      0.8111000     -0.7618000       1.086000
  1 1 1       1   22   11 o    4.846000      0.4232000       5.176000 0.5783000       4.515000      0.6179000      0.6601000      0.8463000
  1 1 1       1   22   12 o    5.515000      0.6607000       6.423000 0.4900000       4.607000       1.227000       1.816000       1.321000
  1 1 1       1   22   13 o    3.552000      0.5199000       3.830000 0.7442000       3.274000      0.7260000      0.5562000       1.040000
  1 1 1       1   22   14 o    1.991000      0.5531000       2.598000 0.8963000       1.383000      0.6481000       1.215000       1.106000
  1 1 1       1   22   15 o    4.449000      0.4168000       5.210000 0.5572000       3.688000      0.6199000       1.522000      0.8335000
  1 1 1       1   22   16 o    7.542000      0.3002000       7.074000 0.4774000       8.009000      0.3640000     -0.9350000      0.6003000
  1 1 1       1   22   17 o    3.151000      0.5783000       3.365000 0.8468000       2.938000      0.7877000      0.4270000       1.157000
  1 1 1       1   22   18 o    3.281000      0.5427000       3.862000 0.7633000       2.700000      0.7716000       1.161000       1.085000
  1 1 1       1   22   19 o    2.381000      0.5711000       1.856000 0.8036000       2.905000      0.8117000      -1.048000       1.142000
  1 1 1       1   22   20 o    6.339000      0.5804000       5.831000 0.9400000       6.846000      0.6811000      -1.014000       1.161000
  1 1 1       1   22   21 o    3.637000      0.7703000       3.958000 1.106000       3.316000       1.072000      0.6420000       1.541000
  1 1 1       1   22   22 o    2.372000      0.6152000       2.115000 0.8896000       2.628000      0.8499000     -0.5124000       1.230000
  1 1 1       1   22   23 o    2.561000      0.6221000       3.016000 0.9314000       2.107000      0.8249000      0.9099000       1.244000
  1 1 1       1   22   24 o    5.091000      0.3826000       4.584000 0.5680000       5.597000      0.5128000      -1.013000      0.7653000
  1 1 1       1   22   25 o    3.697000      0.7759000       3.294000 1.216000       4.100000      0.9637000     -0.8056000       1.552000
  1 1 1       1   22   26 o    1.921000      0.5761000       2.322000 0.8797000       1.521000      0.7441000      0.8015000       1.152000
  1 1 1       1   22   27 o    2.147000      0.6300000       2.464000 0.9559000       1.830000      0.8211000      0.6332000       1.260000
  1 1 1       1   22   28 o    1.946000      0.6056000       1.882000 0.8522000       2.011000      0.8607000     -0.1288000       1.211000
  1 1 1       1   22   29 o    2.225000      0.6443000       2.049000 0.8880000       2.401000      0.9337000     -0.3520000       1.289000
  1 1 1       1   23    0 o    4.235000      0.7649000       5.092000 1.080000       3.378000       1.083000       1.714000       1.530000
  1 1 1       1   23    1 o    3.723000      0.8238000       4.209000 1.206000       3.237000       1.123000      0.9726000       1.648000
  1 1 1       1   23    2 o    6.137000      0.5598000       5.912000 0.8388000       6.362000      0.7416000     -0.4504000       1.120000
  1 1 1       1   23    3 o    4.190000      0.8245000       3.601000 1.147000       4.780000       1.184000      -1.179000       1.649000
  1 1 1       1   23    4 o    7.106000      0.5647000       5.890000 0.8242000       8.321000      0.7721000      -2.431000       1.129000
  1 1 1       1   23    5 o    3.476000      0.8233000       3.776000 1.106000       3.177000       1.220000      0.5984000       1.647000
  1 1 1       1   23    6 o    4.761000      0.5214000       4.988000 0.6397000       4.533000      0.8235000      0.4549000       1.043000
  1 1 1       1   23    7 o    2.217000      0.6571000       2.126000 0.8917000       2.308000      0.9655000     -0.1821000       1.314000
  1 1 1       1   23    8 f    1.816000      0.5805000       1.511000 0.7200000       2.122000      0.9108000     -0.6115000       1.161000
  1 1 1       1   23    9 o    6.958000      0.3530000       6.707000 0.5067000       7.209000      0.4916000     -0.5019000      0.7060000
  1 1 1       1   23   10 o    6.076000      0.3825000       5.779000 0.5812000       6.373000      0.4973000     -0.5938000      0.7649000
  1 1 1       1   23   11 o    2.888000      0.5833000       2.450000 0.8760000       3.326000      0.7705000     -0.8754000       1.167000
  1 1 1       1   23   12 o    5.602000      0.3935000       5.870000 0.5709000       5.334000      0.5415000      0.5362000      0.7869000
  1 1 1       1   23   13 o    5.633000      0.3796000       5.371000 0.5861000       5.895000      0.4824000     -0.5234000      0.7591000
  1 1 1       1   23   14 o    2.420000      0.5941000       2.638000 0.9014000       2.201000      0.7740000      0.4374000       1.188000
  1 1 1       1   23   15 o    1.876000      0.5541000       1.720000 0.7720000       2.032000      0.7950000     -0.3117000       1.108000
  1 1 1       1   23   16 o    3.283000      0.7152000       3.592000 0.7214000       2.973000       1.235000      0.6191000       1.430000
  1 1 1       1   23   17 o    3.035000      0.8344000       3.708000 1.286000       2.361000       1.063000       1.346000       1.669000
  1 1 1       1   23   18 o    3.240000       1.168000       3.240000 1.168000                  ?              ?              ?              ?
  1 1 1       1   23   19 o    2.384000      0.5991000       2.303000 0.8705000       2.464000      0.8232000     -0.1617000       1.198000
  1 1 1       1   23   20 o    5.168000      0.5825000                  ?       ?   5.168000      0.5825000                  ?              ?
  1 1 1       1   23   21 o    2.229000      0.6271000       2.467000 0.9488000       1.992000      0.8201000      0.4748000       1.254000
  1 1 1       1   23   22 o    3.471000      0.7814000       3.641000 1.190000       3.301000       1.014000      0.3395000       1.563000
  1 1 1       1   23   23 o    2.998000      0.7620000       2.769000 1.128000       3.227000       1.025000     -0.4581000       1.524000
  1 1 1       1   23   24 o    2.977000      0.6205000       2.203000 0.9157000       3.751000      0.8377000      -1.547000       1.241000
  1 1 1       1   23   25 o    2.568000      0.6559000       2.246000 0.9408000       2.890000      0.9141000     -0.6441000       1.312000
  1 1 1       1   23   26 o    2.501000      0.6703000       2.408000 0.9641000       2.595000      0.9315000     -0.1868000       1.341000
  1 1 1       1   23   27 o    4.356000      0.5775000       4.716000 0.8149000       3.996000      0.8186000      0.7193000       1.155000
  1 1 1       1   23   28 o    2.540000      0.6766000       2.639000 0.9691000       2.441000      0.9446000      0.1984000       1.353000
  1 1 1       1   24    0 o    3.659000      0.8257000       4.409000 1.214000       2.910000       1.119000       1.499000       1.651000
  1 1 1       1   24    1 o    3.602000      0.8258000       3.175000 1.241000       4.029000       1.090000     -0.8543000       1.652000
  1 1 1       1   24    2 o    6.412000      0.5628000       6.501000 0.7829000       6.323000      0.8087000      0.1780000       1.126000
  1 1 1       1   24    3 o    6.296000      0.6574000       6.346000 0.8233000       6.246000       1.025000      0.1002000       1.315000
  1 1 1       1   24    4 o    4.509000      0.7983000       5.306000 0.9187000       3.711000       1.306000       1.595000       1.597000
  1 1 1       1   24    5 o    4.266000      0.8160000       4.453000 0.9888000       4.079000       1.298000      0.3741000       1.632000
  1 1 1       1   24    6 o    3.538000      0.6742000       3.457000 0.8860000       3.618000       1.017000     -0.1610000       1.348000
  1 1 1       1   24    7 o    1.949000      0.5820000       2.549000 0.9499000       1.350000      0.6727000       1.199000       1.164000
  1 1 1       1   24    8 o    1.996000      0.6003000       2.286000 0.9040000       1.705000      0.7903000      0.5811000       1.201000
  1 1 1       1   24    9 o    5.527000      0.4963000       5.096000 0.7293000       5.958000      0.6733000     -0.8626000      0.9926000
  1 1 1       1   24   10 o    7.351000      0.3307000       7.450000 0.4675000       7.253000      0.4678000      0.1973000      0.6614000
  1 1 1       1   24   11 o    3.152000      0.6204000       2.588000 0.9124000       3.717000      0.8410000      -1.129000       1.241000
  1 1 1       1   24   12 o    5.645000      0.7397000       5.130000 0.5135000       6.160000       1.387000      -1.030000       1.479000
  1 1 1       1   24   13 o    4.008000      0.9510000       3.356000 1.296000       4.661000       1.392000      -1.305000       1.902000
  1 1 1       1   24   14 o    3.936000       1.000000       3.800000 1.451000       4.072000       1.377000     -0.2713000       2.001000
  1 1 1       1   24   15 o    4.411000      0.8185000       4.118000 1.515000       4.703000      0.6204000     -0.5856000       1.637000
  1 1 1       1   24   16 o    3.163000      0.5955000       3.131000 0.9162000       3.195000      0.7611000     -0.6476000E-01   1.191000
  1 1 1       1   24   17 o    3.280000      0.6002000       3.225000 0.9106000       3.336000      0.7820000     -0.1109000       1.200000
  1 1 1       1   24   18 o    2.452000      0.8677000       2.452000 0.8677000                  ?              ?              ?              ?
  1 1 1       1   24   19 o    3.355000      0.7023000       3.698000 1.057000       3.012000      0.9251000      0.6854000       1.405000
  1 1 1       1   24   20 o    2.118000      0.9170000                  ?       ?   2.118000      0.9170000                  ?              ?
  1 1 1       1   24   21 o    2.183000      0.6327000       2.650000 0.9948000       1.715000      0.7821000      0.9351000       1.265000
  1 1 1       1   24   22 o    3.926000      0.6194000       3.007000 1.031000       4.844000      0.6870000      -1.837000       1.239000
  1 1 1       1   24   23 o    3.835000      0.6411000       3.311000 1.022000       4.358000      0.7747000      -1.047000       1.282000
  1 1 1       1   24   24 o    2.839000      0.7098000       2.878000 1.041000       2.800000      0.9647000      0.7827000E-01   1.420000
  1 1 1       1   24   25 o    2.438000      0.6829000       2.467000 1.011000       2.410000      0.9183000      0.5700000E-01   1.366000
  1 1 1       1   24   26 o    2.429000      0.6780000       2.872000 1.037000       1.987000      0.8735000      0.8858000       1.356000
  1 1 1       1   24   27 o    2.225000      0.6390000       2.687000 0.9861000       1.763000      0.8130000      0.9235000       1.278000
  1 1 1       1   25    0 o    7.598000      0.6220000       6.301000 1.072000       8.896000      0.6308000      -2.595000       1.244000
  1 1 1       1   25    1 o    4.826000      0.8310000       4.661000 1.230000       4.992000       1.118000     -0.3308000       1.662000
  1 1 1       1   25    2 o    4.514000      0.7993000       5.074000 1.071000       3.955000       1.187000       1.119000       1.599000
  1 1 1       1   25    3 o    3.552000      0.8157000       2.952000 1.120000       4.153000       1.186000      -1.201000       1.631000
  1 1 1       1   25    4 o    5.089000      0.7927000       4.282000 1.066000       5.895000       1.173000      -1.612000       1.585000
  1 1 1       1   25    5 o    6.507000      0.7288000       7.805000 0.7866000       5.209000       1.227000       2.595000       1.458000
  1 1 1       1   25    6 o    4.062000      0.6437000       5.346000 0.6911000       2.778000       1.086000       2.568000       1.287000
  1 1 1       1   25    7 o    4.355000       1.083000       3.612000 1.380000       5.099000       1.669000      -1.487000       2.166000
  1 1 1       1   25    9 o    4.108000       1.021000       2.423000 1.096000       5.793000       1.722000      -3.370000       2.041000
  1 1 1       1   25   10 o    3.161000      0.9763000       2.768000 1.186000       3.554000       1.551000     -0.7858000       1.953000
  1 1 1       1   25   11 o    2.141000      0.5970000       1.771000 0.7772000       2.512000      0.9065000     -0.7419000       1.194000
  1 1 1       1   25   12 f    3.178000      0.6456000       3.207000 0.9203000       3.148000      0.9058000      0.5967000E-01   1.291000
  1 1 1       1   25   13 o    2.455000      0.6453000       2.291000 0.8849000       2.619000      0.9393000     -0.3281000       1.291000
  1 1 1       1   25   14 o    2.384000      0.6356000       2.307000 0.9034000       2.461000      0.8943000     -0.1546000       1.271000
  1 1 1       1   25   15 o    6.163000      0.4335000       6.349000 0.6877000       5.977000      0.5280000      0.3721000      0.8670000
  1 1 1       1   25   16 o    4.483000      0.5706000       4.716000 0.8611000       4.249000      0.7488000      0.4670000       1.141000
  1 1 1       1   25   17 o    2.539000      0.6824000       2.386000 0.9844000       2.691000      0.9453000     -0.3047000       1.365000
  1 1 1       1   25   18 o    5.116000      0.4799000       5.314000 0.7175000       4.917000      0.6373000      0.3973000      0.9597000
  1 1 1       1   25   19 o    2.254000      0.6397000       2.191000 0.9362000       2.316000      0.8719000     -0.1250000       1.279000
  1 1 1       1   25   20 o    4.514000      0.5211000       3.859000 0.8131000       5.168000      0.6520000      -1.309000       1.042000
  1 1 1       1   25   21 o    3.723000      0.6758000       3.654000 1.000000       3.793000      0.9089000     -0.1389000       1.352000
  1 1 1       1   25   22 o    2.999000      0.7058000       3.433000 1.059000       2.564000      0.9334000      0.8688000       1.412000
  1 1 1       1   25   23 o    3.736000      0.6728000       4.150000 0.9573000       3.322000      0.9457000      0.8286000       1.346000
  1 1 1       1   25   24 o    2.641000      0.6774000       2.182000 0.9592000       3.101000      0.9569000     -0.9190000       1.355000
  1 1 1       1   25   25 o    2.253000      0.6768000       2.309000 0.9943000       2.197000      0.9185000      0.1116000       1.354000
  1 1 1       1   25   26 f    2.968000      0.7119000       2.492000 1.008000       3.444000       1.006000     -0.9524000       1.424000
  1 1 1       1   26    0 o    3.612000      0.9340000       3.173000 1.353000       4.052000       1.288000     -0.8787000       1.868000
  1 1 1       1   26    1 o    3.262000      0.9419000       3.442000 1.447000       3.082000       1.206000      0.3593000       1.884000
  1 1 1       1   26    2 o    3.942000      0.8768000       3.084000 1.326000       4.801000       1.148000      -1.717000       1.754000
  1 1 1       1   26    3 o    5.885000      0.8368000       4.657000 1.384000       7.113000      0.9411000      -2.456000       1.674000
  1 1 1       1   26    4 o    6.524000      0.9041000       4.386000 1.441000       8.663000       1.092000      -4.277000       1.808000
  1 1 1       1   26    5 o    5.788000      0.5794000       4.653000 0.8287000       6.923000      0.8101000      -2.270000       1.159000
  1 1 1       1   26    6 o    2.988000      0.7302000       3.478000 1.025000       2.498000       1.041000      0.9803000       1.460000
  1 1 1       1   26    7 o    2.177000      0.6632000       1.879000 0.8586000       2.474000       1.011000     -0.5952000       1.326000
  1 1 1       1   26    8 o    2.865000      0.6553000       3.444000 0.9093000       2.285000      0.9439000       1.159000       1.311000
  1 1 1       1   26    9 o    6.141000      0.5252000       6.640000 0.6682000       5.641000      0.8104000      0.9996000       1.050000
  1 1 1       1   26   10 o    7.027000      0.4314000       7.323000 0.6242000       6.731000      0.5958000      0.5918000      0.8629000
  1 1 1       1   26   11 o    4.667000      0.5506000       5.701000 0.6530000       3.633000      0.8867000       2.068000       1.101000
  1 1 1       1   26   12 o    4.537000      0.5742000       4.098000 0.8914000       4.975000      0.7239000     -0.8769000       1.148000
  1 1 1       1   26   13 o    4.388000      0.6346000       4.453000 0.9287000       4.323000      0.8651000      0.1293000       1.269000
  1 1 1       1   26   14 o    2.323000      0.6518000       2.629000 0.9856000       2.017000      0.8532000      0.6121000       1.304000
  1 1 1       1   26   15 o    2.202000      0.6186000       2.513000 0.9486000       1.892000      0.7943000      0.6210000       1.237000
  1 1 1       1   26   16 o    3.009000      0.6534000       3.082000 0.9635000       2.936000      0.8828000      0.1455000       1.307000
  1 1 1       1   26   17 o    5.969000      0.4515000       6.414000 0.6230000       5.523000      0.6538000      0.8906000      0.9030000
  1 1 1       1   26   18 o    2.002000      0.6189000       2.000000 0.9043000       2.003000      0.8453000     -0.2720000E-02   1.238000
  1 1 1       1   26   19 o    2.269000      0.6515000       2.689000 1.011000       1.849000      0.8223000      0.8399000       1.303000
  1 1 1       1   26   20 o    2.564000      0.6830000       2.216000 0.9593000       2.911000      0.9724000     -0.6952000       1.366000
  1 1 1       1   26   21 o    3.816000      0.6992000       4.124000 0.9958000       3.508000      0.9818000      0.6157000       1.398000
  1 1 1       1   26   22 o    2.066000      0.6378000       2.149000 0.9263000       1.984000      0.8770000      0.1651000       1.276000
  1 1 1       1   26   23 o    3.481000      0.7126000       3.973000 1.018000       2.989000      0.9977000      0.9839000       1.425000
  1 1 1       1   26   24 o    3.015000      0.7349000       3.177000 1.075000       2.852000       1.002000      0.3251000       1.470000
  1 1 1       1   26   25 o    3.586000       1.259000       3.586000 1.259000                  ?              ?              ?              ?
  1 1 1       1   27    0 o    2.641000      0.7480000       2.360000 1.054000       2.921000       1.062000     -0.5611000       1.496000
  1 1 1       1   27    1 o    2.783000      0.8171000       3.000000 1.226000       2.566000       1.081000      0.4338000       1.634000
  1 1 1       1   27    2 o    2.881000      0.7730000       2.235000 1.031000       3.527000       1.152000      -1.292000       1.546000
  1 1 1       1   27    3 o    2.659000      0.7756000       3.205000 1.209000       2.114000      0.9721000       1.091000       1.551000
  1 1 1       1   27    4 o    3.233000      0.9747000       2.750000 1.215000       3.716000       1.524000     -0.9660000       1.949000
  1 1 1       1   27    5 o    4.039000      0.9525000       4.080000 1.283000       3.999000       1.408000      0.8036000E-01   1.905000
  1 1 1       1   27    6 o    2.498000      0.7445000       2.831000 1.114000       2.166000      0.9883000      0.6653000       1.489000
  1 1 1       1   27    7 o    2.728000      0.7741000       2.571000 1.069000       2.885000       1.120000     -0.3141000       1.548000
  1 1 1       1   27    8 o    3.737000      0.7228000       4.601000 0.9415000       2.873000       1.097000       1.728000       1.446000
  1 1 1       1   27    9 o    8.963000      0.4095000       9.168000 0.5678000       8.759000      0.5903000      0.4092000      0.8191000
  1 1 1       1   27   10 o    3.894000      0.6852000       4.626000 0.9266000       3.161000       1.010000       1.465000       1.370000
  1 1 1       1   27   11 o    2.029000      0.5912000       2.682000 0.9702000       1.376000      0.6757000       1.306000       1.182000
  1 1 1       1   27   12 o    2.860000      0.6474000       2.408000 0.9472000       3.313000      0.8829000     -0.9053000       1.295000
  1 1 1       1   27   13 o    1.837000      0.5830000       2.110000 0.9013000       1.564000      0.7397000      0.5455000       1.166000
  1 1 1       1   27   14 o    3.086000      0.6822000       2.875000 1.001000       3.298000      0.9272000     -0.4225000       1.364000
  1 1 1       1   27   15 o    3.710000      0.6766000       3.451000 1.006000       3.969000      0.9048000     -0.5184000       1.353000
  1 1 1       1   27   16 o    4.015000      0.6342000       3.479000 0.9984000       4.550000      0.7822000      -1.071000       1.268000
  1 1 1       1   27   17 o    2.642000      0.6436000       2.278000 0.9362000       3.007000      0.8835000     -0.7290000       1.287000
  1 1 1       1   27   18 o    3.205000      0.7004000       3.294000 1.029000       3.115000      0.9505000      0.1794000       1.401000
  1 1 1       1   27   19 o    2.450000      0.6851000       2.521000 1.008000       2.379000      0.9275000      0.1420000       1.370000
  1 1 1       1   27   20 o    2.082000      0.6516000       2.119000 0.9422000       2.046000      0.9003000      0.7289000E-01   1.303000
  1 1 1       1   27   21 o    2.395000      0.6495000       1.629000 0.7902000       3.161000       1.031000      -1.532000       1.299000
  1 1 1       1   27   22 o    3.092000      0.7418000       2.857000 1.070000       3.327000       1.028000     -0.4707000       1.484000
  1 1 1       1   27   23 o    1.942000      0.6240000       1.894000 0.8811000       1.989000      0.8837000     -0.9477000E-01   1.248000
  1 1 1       1   28    0 o    3.277000      0.9700000       2.830000 1.293000       3.723000       1.446000     -0.8922000       1.940000
  1 1 1       1   28    1 f    3.787000      0.9896000       4.369000 1.429000       3.205000       1.370000       1.164000       1.979000
  1 1 1       1   28    2 o    2.532000      0.7359000       2.591000 1.048000       2.473000       1.033000      0.1184000       1.472000
  1 1 1       1   28    3 o    1.994000      0.6487000       1.760000 0.8410000       2.227000      0.9880000     -0.4676000       1.297000
  1 1 1       1   28    4 o    2.813000      0.7664000       2.315000 1.028000       3.312000       1.137000     -0.9967000       1.533000
  1 1 1       1   28    5 o    3.289000      0.7827000       3.762000 1.097000       2.816000       1.117000      0.9457000       1.565000
  1 1 1       1   28    6 o    2.798000      0.7520000       3.186000 1.098000       2.410000       1.027000      0.7765000       1.504000
  1 1 1       1   28    7 o    2.791000      0.7386000       2.349000 0.9989000       3.233000       1.088000     -0.8835000       1.477000
  1 1 1       1   28    8 o    3.208000      0.7620000       3.346000 1.064000       3.070000       1.091000      0.2760000       1.524000
  1 1 1       1   28    9 o    7.110000      0.4615000       7.153000 0.7066000       7.067000      0.5937000      0.8616000E-01  0.9229000
  1 1 1       1   28   10 o    2.924000      0.7170000       3.086000 1.029000       2.762000      0.9990000      0.3238000       1.434000
  1 1 1       1   28   11 o    3.236000      0.6857000       3.503000 0.9471000       2.969000      0.9917000      0.5340000       1.371000
  1 1 1       1   28   12 o    3.576000      0.6761000       2.911000 1.020000       4.240000      0.8877000      -1.329000       1.352000
  1 1 1       1   28   13 o    4.332000      0.6241000       4.325000 0.9242000       4.338000      0.8391000     -0.1299000E-01   1.248000
  1 1 1       1   28   14 o    2.935000      0.7120000       3.145000 1.038000       2.725000      0.9744000      0.4206000       1.424000
  1 1 1       1   28   15 o    2.621000      0.6913000       2.411000 0.9849000       2.831000      0.9702000     -0.4194000       1.383000
  1 1 1       1   28   16 o    3.568000      0.6815000       3.344000 1.029000       3.791000      0.8939000     -0.4474000       1.363000
  1 1 1       1   28   17 o    2.709000      0.6909000       2.343000 0.9720000       3.074000      0.9822000     -0.7315000       1.382000
  1 1 1       1   28   18 o    2.762000      0.7102000       3.136000 1.042000       2.388000      0.9647000      0.7473000       1.420000
  1 1 1       1   28   19 f    1.959000      0.9046000       1.959000 0.9046000                  ?              ?              ?              ?
  1 1 1       1   28   20 o    2.250000      0.6824000       2.401000 1.004000       2.099000      0.9239000      0.3014000       1.365000
  1 1 1       1   28   21 o    2.282000      0.9616000                  ?       ?   2.282000      0.9616000                  ?              ?
  1 1 1       1   28   22 o    3.005000      0.9111000       2.728000 1.175000       3.282000       1.393000     -0.5545000       1.822000
  1 1 1       1   29    0 o    3.344000      0.7000000       4.575000 1.000000       2.113000      0.9794000       2.462000       1.400000
  1 1 1       1   29    1 o    2.484000      0.7520000       2.365000 1.012000       2.604000       1.113000     -0.2388000       1.504000
  1 1 1       1   29    2 o    3.124000      0.8048000       2.799000 1.069000       3.449000       1.203000     -0.6495000       1.610000
  1 1 1       1   29    3 o    3.292000      0.7155000       1.933000 0.8957000       4.652000       1.116000      -2.719000       1.431000
  1 1 1       1   29    4 o    2.282000      0.7115000       1.985000 0.9105000       2.579000       1.094000     -0.5938000       1.423000
  1 1 1       1   29    5 o    2.819000      0.8028000       3.066000 1.149000       2.571000       1.121000      0.4941000       1.606000
  1 1 1       1   29    6 o    3.198000      0.7858000       2.814000 1.095000       3.583000       1.127000     -0.7695000       1.572000
  1 1 1       1   29    7 o    2.337000      0.6869000       1.681000 0.8123000       2.992000       1.108000      -1.312000       1.374000
  1 1 1       1   29    8 o    3.412000      0.7680000       3.802000 1.077000       3.021000       1.095000      0.7806000       1.536000
  1 1 1       1   29    9 o    3.098000      0.6920000       2.252000 0.9740000       3.943000      0.9832000      -1.692000       1.384000
  1 1 1       1   29   10 o    3.367000      0.7742000       3.317000 1.148000       3.417000       1.039000     -0.9923000E-01   1.548000
  1 1 1       1   29   11 o    4.907000      0.5596000       4.715000 0.8466000       5.099000      0.7320000     -0.3832000       1.119000
  1 1 1       1   29   12 o    4.324000      0.6403000       3.729000 1.021000       4.918000      0.7727000      -1.189000       1.281000
  1 1 1       1   29   13 o    3.001000      0.7327000       3.230000 1.067000       2.772000       1.005000      0.4580000       1.465000
  1 1 1       1   29   14 o    3.277000      0.7380000       2.692000 1.066000       3.861000       1.021000      -1.169000       1.476000
  1 1 1       1   29   15 o    3.857000      0.7489000       4.322000 1.054000       3.392000       1.064000      0.9301000       1.498000
  1 1 1       1   29   16 o    2.344000      0.6985000       2.581000 1.038000       2.106000      0.9348000      0.4749000       1.397000
  1 1 1       1   29   17 o    3.024000      0.7439000       3.508000 1.078000       2.540000       1.026000      0.9677000       1.488000
  1 1 1       1   29   18 o    2.320000      0.6878000       2.491000 1.020000       2.149000      0.9234000      0.3418000       1.376000
  1 1 1       1   29   19 o    3.108000       1.084000       3.108000 1.084000                  ?              ?              ?              ?
  1 1 1       1   29   20 o    2.605000      0.7345000       2.843000 1.112000       2.368000      0.9595000      0.4755000       1.469000
  1 1 1       1   30    0 o    2.925000      0.8174000       2.595000 1.077000       3.256000       1.230000     -0.6609000       1.635000
  1 1 1       1   30    1 o    1.949000      0.6540000       2.077000 0.9572000       1.822000      0.8915000      0.2551000       1.308000
  1 1 1       1   30    2 o    3.492000      0.8256000       2.726000 1.088000       4.258000       1.243000      -1.531000       1.651000
  1 1 1       1   30    3 o    3.494000      0.8358000       3.298000 1.111000       3.689000       1.249000     -0.3912000       1.672000
  1 1 1       1   30    4 o    2.671000      0.7536000       3.026000 1.085000       2.317000       1.046000      0.7090000       1.507000
  1 1 1       1   30    5 o    2.412000      0.7254000       2.840000 1.096000       1.984000      0.9508000      0.8561000       1.451000
  1 1 1       1   30    6 f    3.629000      0.7810000       3.386000 1.105000       3.872000       1.104000     -0.4858000       1.562000
  1 1 1       1   30    7 o    3.521000      0.7753000       3.514000 1.120000       3.529000       1.072000     -0.1531000E-01   1.551000
  1 1 1       1   30    8 o    3.737000      0.6597000       2.303000 1.017000       5.171000      0.8401000      -2.868000       1.319000
  1 1 1       1   30    9 o    2.483000      0.7254000       2.520000 1.050000       2.445000       1.001000      0.7464000E-01   1.451000
  1 1 1       1   30   10 o    2.375000      0.7041000       2.231000 0.9949000       2.519000      0.9965000     -0.2877000       1.408000
  1 1 1       1   30   11 o    4.285000      0.7427000       5.256000 0.9934000       3.313000       1.104000       1.943000       1.485000
  1 1 1       1   30   12 o    2.589000      0.7222000       2.246000 0.9903000       2.932000       1.051000     -0.6859000       1.444000
  1 1 1       1   30   13 f    3.084000      0.7618000       3.286000 1.115000       2.883000       1.039000      0.4027000       1.524000
  1 1 1       1   30   14 o    2.691000      0.7579000       2.854000 1.111000       2.528000       1.032000      0.3260000       1.516000
  1 1 1       1   30   15 o    4.113000      0.7034000       4.924000 0.9422000       3.303000       1.045000       1.621000       1.407000
  1 1 1       1   30   16 o    2.448000      0.7137000       2.242000 0.9919000       2.654000       1.026000     -0.4124000       1.427000
  1 1 1       1   30   17 o    3.381000      0.7727000       3.286000 1.110000       3.477000       1.076000     -0.1908000       1.545000
  1 1 1       1   30   18 o    3.116000      0.7655000       2.705000 1.065000       3.527000       1.100000     -0.8216000       1.531000
  1 1 1       1   31    0 o    2.782000      0.8221000       2.525000 1.083000       3.039000       1.237000     -0.5142000       1.644000
  1 1 1       1   31    1 o    2.980000      0.8311000       2.618000 1.103000       3.342000       1.244000     -0.7232000       1.662000
  1 1 1       1   31    2 o    2.789000      0.7712000       3.415000 1.165000       2.164000       1.011000       1.251000       1.542000
  1 1 1       1   31    3 o    3.053000      0.8006000       3.496000 1.153000       2.611000       1.111000      0.8847000       1.601000
  1 1 1       1   31    4 f    3.249000      0.6992000       4.535000 1.044000       1.963000      0.9309000       2.572000       1.398000
  1 1 1       1   31    5 f    3.966000      0.7914000       4.200000 1.131000       3.731000       1.107000      0.4690000       1.583000
  1 1 1       1   31    6 o    5.197000      0.6607000       4.733000 1.017000       5.662000      0.8440000     -0.9292000       1.321000
  1 1 1       1   31    7 o    2.973000      0.7733000       2.598000 1.058000       3.349000       1.128000     -0.7508000       1.547000
  1 1 1       1   31    8 o    2.389000      0.7251000       2.626000 1.075000       2.152000      0.9730000      0.4744000       1.450000
  1 1 1       1   31    9 o    3.615000      0.8091000       3.934000 1.153000       3.296000       1.136000      0.6382000       1.618000
  1 1 1       1   31   10 o    4.960000      0.7008000       5.348000 0.9260000       4.571000       1.052000      0.7763000       1.402000
  1 1 1       1   31   11 f    4.554000      0.6921000       5.582000 0.8552000       3.526000       1.088000       2.056000       1.384000
  1 1 1       1   31   12 o    3.420000      0.7911000       3.580000 1.133000       3.261000       1.105000      0.3187000       1.582000
  1 1 1       1   31   13 o    2.287000      0.7036000       2.469000 1.040000       2.105000      0.9480000      0.3646000       1.407000
  1 1 1       1   31   14 o    2.390000      0.7271000       2.171000 0.9857000       2.609000       1.069000     -0.4375000       1.454000
  1 1 1       1   31   15 f    2.634000      0.7555000       2.956000 1.134000       2.311000      0.9990000      0.6444000       1.511000
  1 1 1       1   31   16 o    3.508000      0.9430000       4.037000 1.291000       2.979000       1.375000       1.059000       1.886000
  1 1 1       1   32    0 o    2.729000      0.7765000       2.663000 1.050000       2.796000       1.145000     -0.1330000       1.553000
  1 1 1       1   32    1 o    3.205000      0.7863000       2.577000 1.056000       3.832000       1.165000      -1.255000       1.573000
  1 1 1       1   32    2 o    2.779000      0.7978000       2.365000 1.038000       3.193000       1.212000     -0.8281000       1.596000
  1 1 1       1   32    3 o    2.712000      0.7942000       2.357000 1.045000       3.067000       1.197000     -0.7095000       1.588000
  1 1 1       1   32    4 o    2.401000      0.7346000       2.817000 1.123000       1.984000      0.9470000      0.8331000       1.469000
  1 1 1       1   32    5 o    3.725000      0.8119000       3.811000 1.111000       3.640000       1.184000      0.1709000       1.624000
  1 1 1       1   32    6 o    2.596000      0.7863000       2.561000 1.105000       2.632000       1.119000     -0.7094000E-01   1.573000
  1 1 1       1   32    7 o    3.581000      0.8296000       3.477000 1.189000       3.685000       1.158000     -0.2079000       1.659000
  1 1 1       1   32    8 o    2.887000      0.7708000       3.604000 1.199000       2.170000      0.9684000       1.434000       1.542000
  1 1 1       1   32    9 o    2.316000      0.7188000       2.808000 1.148000       1.824000      0.8660000      0.9840000       1.438000
  1 1 1       1   32   10 o    2.873000      0.7740000       2.615000 1.076000       3.131000       1.113000     -0.5162000       1.548000
  1 1 1       1   32   11 o    2.527000      0.7511000       2.479000 1.059000       2.576000       1.065000     -0.9694000E-01   1.502000
  1 1 1       1   32   12 o    2.292000      0.7221000       1.981000 0.9623000       2.602000       1.077000     -0.6211000       1.444000
  1 1 1       1   32   13 o    3.388000      0.9455000       3.267000 1.175000       3.509000       1.482000     -0.2419000       1.891000
  1 1 1       1   33    0 o    3.029000      0.7837000       2.347000 1.014000       3.710000       1.195000      -1.362000       1.567000
  1 1 1       1   33    1 o    3.615000      0.8180000       2.723000 1.123000       4.508000       1.190000      -1.785000       1.636000
  1 1 1       1   33    2 o    2.854000      0.7777000       1.960000 0.9289000       3.748000       1.248000      -1.787000       1.555000
  1 1 1       1   33    3 o    2.397000      0.7297000       2.521000 1.045000       2.274000       1.018000      0.2467000       1.459000
  1 1 1       1   33    4 o    3.965000      0.7355000       5.186000 0.9577000       2.745000       1.116000       2.441000       1.471000
  1 1 1       1   33    5 o    2.526000      0.7381000       2.945000 1.113000       2.107000      0.9702000      0.8378000       1.476000
  1 1 1       1   33    6 o    2.393000      0.7320000       1.910000 0.9204000       2.875000       1.138000     -0.9647000       1.464000
  1 1 1       1   33    7 o    2.899000      0.7966000       2.472000 1.084000       3.327000       1.168000     -0.8556000       1.593000
  1 1 1       1   33    8 f    2.046000      0.6745000       2.176000 0.9951000       1.917000      0.9108000      0.2590000       1.349000
  1 1 1       1   33    9 o    3.271000      0.6980000       2.132000 0.9923000       4.411000      0.9819000      -2.279000       1.396000
  1 1 1       1   34    0 o    4.321000       1.427000                  ?       ?   4.321000       1.427000                  ?              ?
  1 1 1       1   34    1 o    3.520000       1.398000                  ?       ?   3.520000       1.398000                  ?              ?
  1 1 1       1   34    2 o    2.888000       1.195000                  ?       ?   2.888000       1.195000                  ?              ?
  1 1 1       2  -32    0 o    2.662000      0.7722000       2.302000 1.034000       3.023000       1.147000     -0.7207000       1.544000
  1 1 1       2  -32    1 o    3.389000      0.7545000       4.574000 1.143000       2.203000      0.9850000       2.371000       1.509000
  1 1 1       2  -32    2 o    2.188000      0.6988000       2.272000 1.018000       2.104000      0.9580000      0.1683000       1.398000
  1 1 1       2  -32    3 f    2.235000      0.7045000       2.017000 0.9464000       2.454000       1.044000     -0.4373000       1.409000
  1 1 1       2  -32    4 o    2.483000      0.7238000       3.045000 1.140000       1.920000      0.8916000       1.124000       1.448000
  1 1 1       2  -32    5 o    2.303000      0.7088000       2.399000 1.049000       2.206000      0.9532000      0.1923000       1.418000
  1 1 1       2  -32    6 o    2.369000      0.7172000       2.188000 0.9957000       2.551000       1.032000     -0.3624000       1.434000
  1 1 1       2  -32    7 o    2.442000       1.090000       2.442000 1.090000                  ?              ?              ?              ?
  1 1 1       2  -31    0 o    2.036000      0.6720000       1.908000 0.9195000       2.164000      0.9804000     -0.2563000       1.344000
  1 1 1       2  -31    1 o    2.550000      0.7765000       2.879000 1.180000       2.222000       1.009000      0.6574000       1.553000
  1 1 1       2  -31    2 o    3.361000      0.7961000       4.362000 1.201000       2.360000       1.046000       2.002000       1.592000
  1 1 1       2  -31    3 o    2.108000      0.6880000       2.466000 1.085000       1.749000      0.8465000      0.7163000       1.376000
  1 1 1       2  -31    4 o    2.961000      0.7712000       3.535000 1.153000       2.388000       1.025000       1.147000       1.542000
  1 1 1       2  -31    5 o    2.557000       1.105000       2.557000 1.105000                  ?              ?              ?              ?
  1 1 1       2  -31    6 o    2.063000      0.6737000       2.137000 0.9855000       1.989000      0.9190000      0.1480000       1.347000
  1 1 1       2  -31    7 o    3.163000       1.067000                  ?       ?   3.163000       1.067000                  ?              ?
  1 1 1       2  -31    8 o    2.134000      0.6674000       2.573000 1.064000       1.695000      0.8054000      0.8788000       1.335000
  1 1 1       2  -31    9 f    3.630000      0.7631000       3.348000 1.161000       3.912000      0.9911000     -0.5636000       1.526000
  1 1 1       2  -31   10 o    2.180000      0.6882000       2.452000 1.059000       1.908000      0.8788000      0.5441000       1.376000
  1 1 1       2  -31   11 o    2.298000      0.7212000       2.716000 1.154000       1.880000      0.8651000      0.8362000       1.442000
  1 1 1       2  -30    0 o    2.523000      0.7780000       2.691000 1.164000       2.355000       1.033000      0.3358000       1.556000
  1 1 1       2  -30    1 o    3.722000      0.7293000       2.311000 1.060000       5.134000       1.002000      -2.823000       1.459000
  1 1 1       2  -30    2 o    2.597000      0.7800000       2.844000 1.172000       2.349000       1.030000      0.4950000       1.560000
  1 1 1       2  -30    3 o    3.014000      0.8141000       3.084000 1.181000       2.944000       1.121000      0.1402000       1.628000
  1 1 1       2  -30    4 o    3.158000      0.7161000       4.384000 1.111000       1.933000      0.9042000       2.452000       1.432000
  1 1 1       2  -30    5 o    3.594000       1.242000       3.594000 1.242000                  ?              ?              ?              ?
  1 1 1       2  -30    6 o    2.388000      0.7272000       2.956000 1.166000       1.821000      0.8698000       1.135000       1.454000
  1 1 1       2  -30    7 o    3.354000       1.112000                  ?       ?   3.354000       1.112000                  ?              ?
  1 1 1       2  -30    8 o    2.374000      0.7110000       2.498000 1.065000       2.250000      0.9427000      0.2482000       1.422000
  1 1 1       2  -30    9 o    2.617000      0.7351000       2.542000 1.061000       2.691000       1.018000     -0.1488000       1.470000
  1 1 1       2  -30   10 o    2.465000      0.7070000       2.063000 0.9517000       2.867000       1.046000     -0.8041000       1.414000
  1 1 1       2  -30   11 o    3.565000      0.7104000       2.941000 1.138000       4.189000      0.8508000      -1.248000       1.421000
  1 1 1       2  -30   12 o    3.354000      0.7789000       3.827000 1.182000       2.882000       1.015000      0.9453000       1.558000
  1 1 1       2  -30   13 f    2.408000      0.7174000       2.843000 1.135000       1.972000      0.8778000      0.8707000       1.435000
  1 1 1       2  -30   14 o    2.274000      0.6966000       2.737000 1.110000       1.812000      0.8423000      0.9249000       1.393000
  1 1 1       2  -29    0 o    3.787000      0.8289000       4.784000 1.205000       2.791000       1.139000       1.993000       1.658000
  1 1 1       2  -29    1 o    2.757000      0.8112000       2.642000 1.152000       2.872000       1.142000     -0.2295000       1.622000
  1 1 1       2  -29    2 o    2.883000      0.8224000       3.538000 1.297000       2.228000       1.012000       1.311000       1.645000
  1 1 1       2  -29    3 o    2.704000      0.7786000       2.245000 1.043000       3.164000       1.156000     -0.9191000       1.557000
  1 1 1       2  -29    4 o    3.118000      0.8254000       3.575000 1.226000       2.661000       1.105000      0.9136000       1.651000
  1 1 1       2  -29    5 o    3.642000      0.7659000       4.463000 1.064000       2.820000       1.102000       1.643000       1.532000
  1 1 1       2  -29    6 o    3.016000      0.7742000       3.277000 1.109000       2.755000       1.081000      0.5223000       1.548000
  1 1 1       2  -29    7 o    3.031000      0.7895000       2.843000 1.113000       3.219000       1.120000     -0.3761000       1.579000
  1 1 1       2  -29    8 o    3.433000      0.7165000       2.701000 1.085000       4.165000      0.9363000      -1.464000       1.433000
  1 1 1       2  -29    9 o    2.055000      0.6392000       2.426000 0.9991000       1.684000      0.7974000      0.7422000       1.278000
  1 1 1       2  -29   10 o    4.648000      0.7283000       5.057000 1.030000       4.239000       1.030000      0.8184000       1.457000
  1 1 1       2  -29   11 o    6.049000      0.4832000       5.925000 0.7314000       6.173000      0.6317000     -0.2486000      0.9664000
  1 1 1       2  -29   12 o    3.428000      0.7327000       4.325000 1.091000       2.531000      0.9781000       1.794000       1.465000
  1 1 1       2  -29   13 o    2.824000      0.7189000       3.459000 1.106000       2.190000      0.9187000       1.268000       1.438000
  1 1 1       2  -29   14 o    4.217000      0.7102000       3.298000 1.174000       5.135000      0.7999000      -1.837000       1.420000
  1 1 1       2  -29   15 o    2.269000      0.6909000       2.452000 1.041000       2.085000      0.9089000      0.3666000       1.382000
  1 1 1       2  -29   16 o    4.178000      0.8240000       4.796000 1.262000       3.560000       1.060000       1.236000       1.648000
  1 1 1       2  -29   17 o    1.906000      0.6480000       2.119000 1.009000       1.692000      0.8131000      0.4264000       1.296000
  1 1 1       2  -28    0 o    3.266000      0.8220000       3.101000 1.192000       3.432000       1.133000     -0.3315000       1.644000
  1 1 1       2  -28    1 o    2.802000      0.7977000       2.860000 1.167000       2.743000       1.088000      0.1166000       1.595000
  1 1 1       2  -28    2 f    3.448000      0.8138000       4.407000 1.245000       2.490000       1.048000       1.917000       1.628000
  1 1 1       2  -28    3 o    3.552000      0.8031000       3.413000 1.191000       3.691000       1.078000     -0.2773000       1.606000
  1 1 1       2  -28    4 o    2.994000      0.7706000       3.224000 1.128000       2.764000       1.051000      0.4607000       1.541000
  1 1 1       2  -28    5 o    3.072000      0.7746000       3.027000 1.099000       3.116000       1.092000     -0.8881000E-01   1.549000
  1 1 1       2  -28    6 o    2.522000      0.7217000       2.400000 1.002000       2.644000       1.039000     -0.2443000       1.443000
  1 1 1       2  -28    7 o    3.428000      0.7569000       3.453000 1.072000       3.404000       1.068000      0.4914000E-01   1.514000
  1 1 1       2  -28    8 o    2.207000      0.6743000       2.232000 0.9699000       2.183000      0.9371000      0.4867000E-01   1.349000
  1 1 1       2  -28    9 o    3.544000      0.6669000       3.037000 1.011000       4.050000      0.8702000      -1.013000       1.334000
  1 1 1       2  -28   10 o    5.151000      0.5492000       5.278000 0.7773000       5.025000      0.7760000      0.2526000       1.098000
  1 1 1       2  -28   11 o    4.340000      0.6225000       4.520000 0.8950000       4.161000      0.8654000      0.3599000       1.245000
  1 1 1       2  -28   12 o    4.341000      0.6505000       3.963000 1.047000       4.720000      0.7726000     -0.7572000       1.301000
  1 1 1       2  -28   13 o    2.160000      0.6699000       2.330000 1.013000       1.991000      0.8771000      0.3394000       1.340000
  1 1 1       2  -28   14 o    1.807000      0.5901000       1.678000 0.8101000       1.935000      0.8582000     -0.2567000       1.180000
  1 1 1       2  -28   15 o    1.958000      0.6293000       1.674000 0.8320000       2.242000      0.9445000     -0.5680000       1.259000
  1 1 1       2  -28   16 o    4.392000      0.6605000       4.783000 0.9264000       4.000000      0.9416000      0.7826000       1.321000
  1 1 1       2  -28   17 o    2.952000      0.7129000       2.833000 1.061000       3.072000      0.9522000     -0.2396000       1.426000
  1 1 1       2  -28   18 o    3.025000      0.7595000       3.063000 1.122000       2.988000       1.024000      0.7439000E-01   1.519000
  1 1 1       2  -28   19 o    2.319000      0.6930000       2.944000 1.126000       1.693000      0.8080000       1.250000       1.386000
  1 1 1       2  -27    0 o    2.840000      0.8431000       3.497000 1.336000       2.182000       1.029000       1.315000       1.686000
  1 1 1       2  -27    1 o    4.194000      0.9198000       3.207000 1.359000       5.181000       1.239000      -1.974000       1.840000
  1 1 1       2  -27    2 o    4.071000      0.8406000       2.528000 1.188000       5.614000       1.189000      -3.086000       1.681000
  1 1 1       2  -27    3 o    2.913000      0.8926000       2.654000 1.219000       3.173000       1.304000     -0.5198000       1.785000
  1 1 1       2  -27    4 o    4.316000       1.144000       4.594000 1.670000       4.038000       1.563000      0.5561000       2.287000
  1 1 1       2  -27    5 o    3.851000       1.053000       3.857000 1.510000       3.844000       1.467000      0.1307000E-01   2.105000
  1 1 1       2  -27    6 o    3.284000       1.374000       3.284000 1.374000                  ?              ?              ?              ?
  1 1 1       2  -27    7 o    2.291000      0.7773000       2.214000 1.073000       2.368000       1.125000     -0.1538000       1.555000
  1 1 1       2  -27    8 o    2.753000       1.272000                  ?       ?   2.753000       1.272000                  ?              ?
  1 1 1       2  -27    9 o    3.173000      0.5939000       3.515000 0.8813000       2.831000      0.7962000      0.6841000       1.188000
  1 1 1       2  -27   10 o    2.191000      0.6141000       2.519000 0.9333000       1.863000      0.7983000      0.6553000       1.228000
  1 1 1       2  -27   11 o    2.275000      0.5889000       1.612000 0.7599000       2.939000      0.8999000      -1.327000       1.178000
  1 1 1       2  -27   12 o    4.491000      0.5284000       4.139000 0.8633000       4.843000      0.6095000     -0.7037000       1.057000
  1 1 1       2  -27   13 o    3.090000      0.6068000       2.218000 0.9608000       3.963000      0.7415000      -1.745000       1.214000
  1 1 1       2  -27   14 o    2.204000      0.6469000       2.390000 1.008000       2.018000      0.8113000      0.3721000       1.294000
  1 1 1       2  -27   15 o    2.194000      0.5667000       1.810000 0.8364000       2.577000      0.7649000     -0.7678000       1.133000
  1 1 1       2  -27   16 o    3.142000      0.8377000       2.107000 0.9178000       4.177000       1.402000      -2.071000       1.675000
  1 1 1       2  -27   17 o    2.976000      0.8217000       2.645000 0.9647000       3.307000       1.330000     -0.6624000       1.643000
  1 1 1       2  -27   18 o    3.551000      0.9371000       2.891000 1.270000       4.210000       1.378000      -1.319000       1.874000
  1 1 1       2  -27   19 o    2.874000      0.8730000       3.355000 1.342000       2.392000       1.117000      0.9628000       1.746000
  1 1 1       2  -27   20 f    2.801000      0.8504000       2.883000 1.217000       2.719000       1.188000      0.1644000       1.701000
  1 1 1       2  -26    0 o    3.314000      0.9840000       4.064000 1.573000       2.564000       1.183000       1.499000       1.968000
  1 1 1       2  -26    1 o    2.633000      0.7858000       2.590000 1.086000       2.676000       1.136000     -0.8634000E-01   1.572000
  1 1 1       2  -26    2 o    4.486000      0.7937000       3.849000 1.175000       5.123000       1.067000      -1.274000       1.587000
  1 1 1       2  -26    3 o    2.862000      0.7621000       3.396000 1.117000       2.328000       1.037000       1.068000       1.524000
  1 1 1       2  -26    4 o    3.647000      0.7488000       4.271000 0.9708000       3.023000       1.140000       1.248000       1.498000
  1 1 1       2  -26    5 o    3.190000      0.6704000       2.872000 0.9384000       3.508000      0.9577000     -0.6363000       1.341000
  1 1 1       2  -26    6 o    2.966000       1.029000       2.966000 1.029000                  ?              ?              ?              ?
  1 1 1       2  -26    7 o    5.158000      0.5423000       4.572000 0.8480000       5.744000      0.6762000      -1.172000       1.085000
  1 1 1       2  -26    8 o    4.143000      0.8677000                  ?       ?   4.143000      0.8677000                  ?              ?
  1 1 1       2  -26    9 o    2.623000      0.6309000       2.364000 0.9142000       2.882000      0.8697000     -0.5183000       1.262000
  1 1 1       2  -26   10 o    2.353000      0.6115000       2.737000 0.9339000       1.969000      0.7896000      0.7677000       1.223000
  1 1 1       2  -26   11 o    2.363000      0.6401000       2.386000 0.9350000       2.340000      0.8746000      0.4579000E-01   1.280000
  1 1 1       2  -26   12 o    3.491000      0.6455000       3.756000 0.9590000       3.225000      0.8642000      0.5306000       1.291000
  1 1 1       2  -26   13 o    5.392000      0.4399000       5.592000 0.6944000       5.193000      0.5403000      0.3987000      0.8799000
  1 1 1       2  -26   14 o    5.421000      0.4524000       4.900000 0.7466000       5.941000      0.5112000      -1.041000      0.9048000
  1 1 1       2  -26   15 o    3.183000      0.6875000       3.334000 1.080000       3.033000      0.8504000      0.3013000       1.375000
  1 1 1       2  -26   16 o    2.527000      0.7033000       2.601000 1.060000       2.452000      0.9250000      0.1495000       1.407000
  1 1 1       2  -26   17 o    2.912000      0.7419000       2.816000 1.128000       3.009000      0.9641000     -0.1931000       1.484000
  1 1 1       2  -26   18 o    2.075000      0.6217000       1.795000 0.8457000       2.355000      0.9116000     -0.5603000       1.243000
  1 1 1       2  -26   19 o    1.733000      0.5784000       1.805000 0.8544000       1.660000      0.7800000      0.1448000       1.157000
  1 1 1       2  -26   20 o    1.829000      0.5941000       2.167000 0.9469000       1.490000      0.7179000      0.6776000       1.188000
  1 1 1       2  -26   21 f    2.326000      0.6426000       2.002000 0.8697000       2.651000      0.9463000     -0.6489000       1.285000
  1 1 1       2  -26   22 o    4.213000      0.5643000       3.999000 0.8502000       4.427000      0.7423000     -0.4279000       1.129000
  1 1 1       2  -25    0 o    2.872000      0.9208000       3.096000 1.381000       2.649000       1.218000      0.4474000       1.842000
  1 1 1       2  -25    1 o    3.398000      0.9517000       3.462000 1.341000       3.333000       1.351000      0.1287000       1.903000
  1 1 1       2  -25    2 o    5.740000      0.6568000       6.617000 0.9072000       4.864000      0.9501000       1.753000       1.314000
  1 1 1       2  -25    3 o    7.131000      0.5840000       7.536000 0.7108000       6.726000      0.9267000      0.8094000       1.168000
  1 1 1       2  -25    4 o    4.634000      0.7283000       4.817000 0.9451000       4.451000       1.108000      0.3658000       1.457000
  1 1 1       2  -25    5 f    2.797000      0.7119000       2.924000 0.9861000       2.670000       1.027000      0.2540000       1.424000
  1 1 1       2  -25    6 o    3.773000      0.5901000       4.852000 0.6886000       2.694000      0.9584000       2.157000       1.180000
  1 1 1       2  -25    7 o    5.861000      0.4492000       5.248000 0.6974000       6.473000      0.5663000      -1.224000      0.8983000
  1 1 1       2  -25    9 o    3.055000      0.5454000       4.001000 0.7144000       2.109000      0.8244000       1.892000       1.091000
  1 1 1       2  -25   10 o    4.354000      0.4323000       4.476000 0.6235000       4.231000      0.5991000      0.2458000      0.8647000
  1 1 1       2  -25   11 o    11.98000      0.3076000       11.55000 0.4443000       12.42000      0.4257000     -0.8768000      0.6153000
  1 1 1       2  -25   12 f    6.877000      0.3318000       7.047000 0.5241000       6.708000      0.4069000      0.3386000      0.6636000
  1 1 1       2  -25   13 o    6.402000      0.3726000       6.637000 0.5976000       6.167000      0.4453000      0.4703000      0.7453000
  1 1 1       2  -25   14 o    8.951000      0.3260000       9.070000 0.5322000       8.833000      0.3767000      0.2361000      0.6520000
  1 1 1       2  -25   15 o    4.223000      0.5262000       4.111000 0.8660000       4.335000      0.5981000     -0.2245000       1.052000
  1 1 1       2  -25   16 o    3.410000      0.6144000       3.231000 0.9728000       3.589000      0.7509000     -0.3575000       1.229000
  1 1 1       2  -25   17 o    2.545000      0.6424000       2.323000 0.9522000       2.767000      0.8625000     -0.4439000       1.285000
  1 1 1       2  -25   18 o    2.687000      0.6013000       1.925000 0.8754000       3.448000      0.8244000      -1.523000       1.203000
  1 1 1       2  -25   19 o    1.881000      0.5906000       2.030000 0.8906000       1.733000      0.7760000      0.2972000       1.181000
  1 1 1       2  -25   20 o    2.323000      0.6466000       2.505000 0.9573000       2.141000      0.8693000      0.3636000       1.293000
  1 1 1       2  -25   21 o    2.494000      0.7630000       2.998000 1.233000       1.991000      0.8993000       1.007000       1.526000
  1 1 1       2  -25   22 o    3.339000      0.8162000       3.341000 1.238000       3.337000       1.064000      0.3666000E-02   1.632000
  1 1 1       2  -25   23 o    4.034000      0.8074000       4.799000 1.202000       3.268000       1.079000       1.531000       1.615000
  1 1 1       2  -25   24 o    3.446000      0.8532000       4.022000 1.308000       2.869000       1.096000       1.154000       1.706000
  1 1 1       2  -24    0 o    2.505000      0.8023000       2.756000 1.235000       2.253000       1.024000      0.5028000       1.605000
  1 1 1       2  -24    1 o    5.784000      0.7597000       5.606000 1.162000       5.963000      0.9791000     -0.3571000       1.519000
  1 1 1       2  -24    2 o    5.146000      0.7954000       5.722000 0.9821000       4.571000       1.252000       1.151000       1.591000
  1 1 1       2  -24    3 o    4.307000      0.7925000       5.381000 0.9560000       3.233000       1.264000       2.149000       1.585000
  1 1 1       2  -24    4 o    5.080000      0.7177000       3.966000 1.057000       6.195000      0.9710000      -2.229000       1.435000
  1 1 1       2  -24    5 o    4.643000      0.5994000       3.713000 0.8986000       5.573000      0.7936000      -1.861000       1.199000
  1 1 1       2  -24    6 o    5.910000      0.4123000       6.391000 0.4905000       5.429000      0.6629000      0.9627000      0.8246000
  1 1 1       2  -24    7 o    2.863000      0.6240000       3.348000 0.8269000       2.377000      0.9347000      0.9709000       1.248000
  1 1 1       2  -24    8 o    2.713000      0.6264000       2.882000 0.8781000       2.543000      0.8936000      0.3394000       1.253000
  1 1 1       2  -24    9 o    5.201000      0.3844000       4.859000 0.5906000       5.543000      0.4922000     -0.6848000      0.7688000
  1 1 1       2  -24   10 o    7.171000      0.3063000       7.188000 0.4573000       7.154000      0.4076000      0.3370000E-01  0.6125000
  1 1 1       2  -24   11 o    5.169000      0.3445000       5.180000 0.5005000       5.159000      0.4737000      0.2126000E-01  0.6891000
  1 1 1       2  -24   12 o    3.439000      0.5162000       2.705000 0.8823000       4.174000      0.5359000      -1.468000       1.032000
  1 1 1       2  -24   13 o    4.249000      0.4396000       4.186000 0.7008000       4.312000      0.5308000     -0.1267000      0.8791000
  1 1 1       2  -24   14 o    8.787000      0.3045000       8.928000 0.4903000       8.645000      0.3614000      0.2827000      0.6091000
  1 1 1       2  -24   15 o    4.300000      0.4904000       4.045000 0.8353000       4.556000      0.5140000     -0.5115000      0.9808000
  1 1 1       2  -24   16 o    2.108000      0.5562000       1.746000 0.8001000       2.470000      0.7729000     -0.7241000       1.112000
  1 1 1       2  -24   17 o    1.745000      0.5413000       2.204000 0.8921000       1.286000      0.6132000      0.9182000       1.083000
  1 1 1       2  -24   18 o    2.412000      0.5146000       1.529000 0.7230000       3.294000      0.7324000      -1.765000       1.029000
  1 1 1       2  -24   19 o    1.995000      0.5763000       1.954000 0.8408000       2.036000      0.7883000     -0.8192000E-01   1.153000
  1 1 1       2  -24   20 o    3.664000      0.5617000       3.593000 0.8992000       3.734000      0.6736000     -0.1416000       1.123000
  1 1 1       2  -24   21 o    3.146000      0.6129000       3.118000 0.9345000       3.174000      0.7932000     -0.5642000E-01   1.226000
  1 1 1       2  -24   22 o    1.668000      0.5366000       1.796000 0.8047000       1.539000      0.7099000      0.2561000       1.073000
  1 1 1       2  -24   23 o    3.847000      0.5786000       3.613000 0.8754000       4.081000      0.7569000     -0.4677000       1.157000
  1 1 1       2  -24   24 o    2.434000      0.6423000       2.376000 0.9029000       2.491000      0.9138000     -0.1151000       1.285000
  1 1 1       2  -24   25 o    2.817000      0.5836000       1.847000 0.8165000       3.788000      0.8341000      -1.940000       1.167000
  1 1 1       2  -23    0 o    3.371000      0.8685000       3.272000 1.317000       3.470000       1.133000     -0.1977000       1.737000
  1 1 1       2  -23    1 o    3.792000      0.9736000       3.782000 1.546000       3.802000       1.183000     -0.2019000E-01   1.947000
  1 1 1       2  -23    2 o    5.502000      0.6605000       4.509000 1.089000       6.495000      0.7475000      -1.986000       1.321000
  1 1 1       2  -23    3 o    4.044000      0.8689000       4.014000 1.161000       4.075000       1.294000     -0.6072000E-01   1.738000
  1 1 1       2  -23    4 o    3.613000      0.8017000       2.906000 1.082000       4.321000       1.183000      -1.415000       1.603000
  1 1 1       2  -23    5 o    3.079000      0.6253000       3.804000 0.8310000       2.354000      0.9346000       1.450000       1.251000
  1 1 1       2  -23    6 o    3.074000      0.6219000       2.831000 0.8896000       3.318000      0.8693000     -0.4867000       1.244000
  1 1 1       2  -23    7 o    6.107000      0.5187000       6.107000 0.5187000                  ?              ?              ?              ?
  1 1 1       2  -23    8 o    8.259000      0.3074000       8.464000 0.4332000       8.054000      0.4362000      0.4095000      0.6147000
  1 1 1       2  -23    9 o    9.030000      0.3768000                  ?       ?   9.030000      0.3768000                  ?              ?
  1 1 1       2  -23   10 o    5.841000      0.3150000       5.539000 0.4841000       6.142000      0.4033000     -0.6026000      0.6300000
  1 1 1       2  -23   11 o    5.260000      0.3263000       5.486000 0.4640000       5.035000      0.4589000      0.4511000      0.6526000
  1 1 1       2  -23   12 o    3.688000      0.4589000       2.900000 0.8181000       4.477000      0.4160000      -1.577000      0.9178000
  1 1 1       2  -23   13 o    3.200000      0.4696000       3.732000 0.6737000       2.669000      0.6542000       1.063000      0.9391000
  1 1 1       2  -23   14 o    6.960000      0.2962000       6.788000 0.4864000       7.131000      0.3381000     -0.3437000      0.5924000
  1 1 1       2  -23   15 o    4.767000      0.3994000       5.585000 0.5755000       3.949000      0.5540000       1.637000      0.7989000
  1 1 1       2  -23   16 o    2.967000      0.5447000       3.897000 0.7994000       2.038000      0.7402000       1.859000       1.089000
  1 1 1       2  -23   17 o    2.976000      0.5212000       2.525000 0.8658000       3.426000      0.5804000     -0.9012000       1.042000
  1 1 1       2  -23   18 o    3.837000      0.4651000       4.369000 0.6447000       3.304000      0.6706000       1.064000      0.9303000
  1 1 1       2  -23   19 o    5.545000      0.3698000       5.230000 0.6006000       5.860000      0.4317000     -0.6296000      0.7396000
  1 1 1       2  -23   20 o    1.841000      0.5532000       1.757000 0.7898000       1.925000      0.7747000     -0.1680000       1.106000
  1 1 1       2  -23   21 f    2.694000      0.5764000       3.558000 0.8592000       1.830000      0.7685000       1.728000       1.153000
  1 1 1       2  -23   22 o    3.533000      0.5382000       3.847000 0.7878000       3.220000      0.7334000      0.6270000       1.076000
  1 1 1       2  -23   23 o    2.234000      0.5802000       2.741000 0.8936000       1.726000      0.7403000       1.015000       1.160000
  1 1 1       2  -23   24 o    5.171000      0.4854000       4.985000 0.7965000       5.357000      0.5551000     -0.3726000      0.9709000
  1 1 1       2  -23   25 o    5.224000      0.4117000       5.157000 0.5854000       5.291000      0.5789000     -0.1335000      0.8233000
  1 1 1       2  -23   26 o    2.770000      0.6074000       2.044000 0.8590000       3.497000      0.8591000      -1.452000       1.215000
  1 1 1       2  -22    0 o    7.892000      0.5520000       7.648000 0.8608000       8.136000      0.6913000     -0.4874000       1.104000
  1 1 1       2  -22    1 o    2.453000      0.7597000       2.798000 1.169000       2.109000      0.9703000      0.6893000       1.519000
  1 1 1       2  -22    2 o    5.223000      0.6502000       4.172000 1.044000       6.274000      0.7747000      -2.102000       1.300000
  1 1 1       2  -22    3 o    4.632000      0.7159000       3.704000 1.063000       5.559000      0.9594000      -1.855000       1.432000
  1 1 1       2  -22    4 o    7.053000      0.5034000       7.048000 0.6542000       7.058000      0.7653000     -0.1086000E-01   1.007000
  1 1 1       2  -22    5 o    8.314000      0.3551000       7.788000 0.5164000       8.840000      0.4876000      -1.052000      0.7102000
  1 1 1       2  -22    6 o    5.376000      0.4112000       5.247000 0.5531000       5.505000      0.6087000     -0.2581000      0.8224000
  1 1 1       2  -22    7 o    1.966000      0.7962000       1.966000 0.7962000                  ?              ?              ?              ?
  1 1 1       2  -22    8 o    2.454000      0.5417000       2.793000 0.7672000       2.116000      0.7648000      0.6774000       1.083000
  1 1 1       2  -22    9 o    3.811000      0.5114000                  ?       ?   3.811000      0.5114000                  ?              ?
  1 1 1       2  -22   10 o    4.289000      0.3529000       4.041000 0.5401000       4.536000      0.4545000     -0.4945000      0.7059000
  1 1 1       2  -22   11 o    6.923000      0.2843000       7.025000 0.4169000       6.821000      0.3866000      0.2041000      0.5686000
  1 1 1       2  -22   12 o    2.541000      0.5357000       2.659000 0.8223000       2.422000      0.6867000      0.2369000       1.071000
  1 1 1       2  -22   13 o    3.951000      0.4067000       3.722000 0.7006000       4.180000      0.4131000     -0.4583000      0.8133000
  1 1 1       2  -22   14 o    7.210000      0.2764000       6.805000 0.4467000       7.615000      0.3257000     -0.8096000      0.5528000
  1 1 1       2  -22   15 o    4.516000      0.4042000       4.357000 0.6882000       4.675000      0.4243000     -0.3183000      0.8084000
  1 1 1       2  -22   16 o    2.289000      0.5368000       2.785000 0.8299000       1.793000      0.6809000      0.9914000       1.074000
  1 1 1       2  -22   17 o    3.612000      0.4464000       3.379000 0.7315000       3.845000      0.5120000     -0.4658000      0.8929000
  1 1 1       2  -22   18 o    2.387000      0.5690000       2.343000 0.8679000       2.431000      0.7361000     -0.8797000E-01   1.138000
  1 1 1       2  -22   19 o    2.514000      0.5464000       2.405000 0.8317000       2.623000      0.7087000     -0.2175000       1.093000
  1 1 1       2  -22   20 o    4.127000      0.4307000       3.267000 0.7504000       4.987000      0.4229000      -1.720000      0.8614000
  1 1 1       2  -22   21 o    2.434000      0.5447000       2.976000 0.7958000       1.892000      0.7439000       1.084000       1.089000
  1 1 1       2  -22   22 o    3.809000      0.4472000       3.856000 0.6718000       3.762000      0.5904000      0.9353000E-01  0.8944000
  1 1 1       2  -22   23 o    2.443000      0.5431000       1.815000 0.7837000       3.070000      0.7521000      -1.255000       1.086000
  1 1 1       2  -22   24 o    3.768000      0.5327000       4.465000 0.6596000       3.071000      0.8365000       1.394000       1.065000
  1 1 1       2  -22   25 o    2.656000      0.6192000       3.079000 0.9004000       2.232000      0.8502000      0.8464000       1.238000
  1 1 1       2  -22   26 o    2.890000      0.6036000       2.372000 0.8858000       3.407000      0.8201000      -1.035000       1.207000
  1 1 1       2  -22   27 o    2.970000      0.6047000       2.427000 0.8801000       3.513000      0.8296000      -1.086000       1.209000
  1 1 1       2  -21    0 o    4.432000      0.7277000       3.107000 1.187000       5.757000      0.8416000      -2.649000       1.455000
  1 1 1       2  -21    1 o    3.825000      0.7897000       3.876000 1.181000       3.774000       1.049000      0.1017000       1.579000
  1 1 1       2  -21    2 o    3.508000      0.7673000       4.075000 1.073000       2.941000       1.097000       1.133000       1.535000
  1 1 1       2  -21    3 o    2.913000      0.7800000       2.971000 1.085000       2.856000       1.121000      0.1157000       1.560000
  1 1 1       2  -21    4 o    4.910000      0.6813000       4.970000 0.8676000       4.851000       1.051000      0.1191000       1.363000
  1 1 1       2  -21    5 o    6.096000      0.4604000       7.097000 0.5140000       5.095000      0.7640000       2.002000      0.9208000
  1 1 1       2  -21    6 o    10.59000      0.2920000       10.72000 0.4132000       10.45000      0.4127000      0.2718000      0.5840000
  1 1 1       2  -21    7 f    1.912000      0.5402000       2.190000 0.7943000       1.634000      0.7324000      0.5559000       1.080000
  1 1 1       2  -21    8 o    7.319000      0.2761000       7.350000 0.3861000       7.288000      0.3947000      0.6255000E-01  0.5521000
  1 1 1       2  -21    9 o    4.352000      0.3601000       3.511000 0.5881000       5.193000      0.4157000      -1.683000      0.7201000
  1 1 1       2  -21   10 o    5.607000      0.2941000       5.356000 0.4525000       5.858000      0.3758000     -0.5017000      0.5882000
  1 1 1       2  -21   11 o    6.732000      0.2664000       6.920000 0.3990000       6.543000      0.3530000      0.3770000      0.5327000
  1 1 1       2  -21   12 o    6.125000      0.2816000       5.742000 0.4525000       6.508000      0.3355000     -0.7652000      0.5633000
  1 1 1       2  -21   13 o    3.394000      0.4587000       2.735000 0.8025000       4.052000      0.4445000      -1.318000      0.9174000
  1 1 1       2  -21   14 o    5.092000      0.3243000       5.090000 0.5234000       5.094000      0.3830000     -0.4449000E-02  0.6486000
  1 1 1       2  -21   15 o    3.506000      0.4214000       4.072000 0.6182000       2.940000      0.5729000       1.133000      0.8428000
  1 1 1       2  -21   16 o    4.190000      0.3502000       3.918000 0.5912000       4.463000      0.3754000     -0.5448000      0.7003000
  1 1 1       2  -21   17 o    3.555000      0.4326000       3.433000 0.7156000       3.677000      0.4861000     -0.2441000      0.8651000
  1 1 1       2  -21   18 o    2.712000      0.5148000       2.597000 0.7908000       2.827000      0.6593000     -0.2304000       1.030000
  1 1 1       2  -21   19 o    1.621000      0.4868000       1.881000 0.7523000       1.361000      0.6179000      0.5198000      0.9735000
  1 1 1       2  -21   20 o    7.504000      0.2292000       7.508000 0.3402000       7.499000      0.3072000      0.8885000E-02  0.4584000
  1 1 1       2  -21   21 o    4.354000      0.3485000       4.016000 0.5443000       4.693000      0.4353000     -0.6773000      0.6970000
  1 1 1       2  -21   22 o    5.106000      0.3513000       5.631000 0.5230000       4.581000      0.4691000       1.050000      0.7025000
  1 1 1       2  -21   23 o    4.578000      0.3702000       4.817000 0.5218000       4.339000      0.5254000      0.4785000      0.7404000
  1 1 1       2  -21   24 o    2.784000      0.5775000       2.691000 0.8354000       2.877000      0.7976000     -0.1852000       1.155000
  1 1 1       2  -21   25 o    7.798000      0.2750000       7.782000 0.4008000       7.815000      0.3767000     -0.3283000E-01  0.5501000
  1 1 1       2  -21   26 o    4.453000      0.4262000       4.213000 0.6194000       4.694000      0.5855000     -0.4805000      0.8523000
  1 1 1       2  -21   27 o    5.235000      0.4070000       5.690000 0.5515000       4.779000      0.5986000      0.9108000      0.8139000
  1 1 1       2  -21   28 o    1.927000      0.5803000       2.171000 0.8691000       1.683000      0.7691000      0.4874000       1.161000
  1 1 1       2  -20    0 o    2.534000      0.7477000       2.742000 1.138000       2.325000      0.9702000      0.4165000       1.495000
  1 1 1       2  -20    1 o    2.492000      0.7222000       2.906000 1.113000       2.078000      0.9211000      0.8275000       1.444000
  1 1 1       2  -20    2 o    2.499000      0.7075000       2.631000 1.001000       2.366000       1.000000      0.2650000       1.415000
  1 1 1       2  -20    3 o    2.304000      0.6636000       2.628000 0.9544000       1.979000      0.9224000      0.6483000       1.327000
  1 1 1       2  -20    4 o    2.807000      0.7045000       3.281000 0.9830000       2.332000       1.010000      0.9489000       1.409000
  1 1 1       2  -20    5 o    3.155000      0.6144000       3.611000 0.7402000       2.698000      0.9808000      0.9132000       1.229000
  1 1 1       2  -20    6 o    3.165000      0.5698000       3.470000 0.6826000       2.860000      0.9126000      0.6101000       1.140000
  1 1 1       2  -20    7 o    9.755000      0.2740000       9.611000 0.3817000       9.900000      0.3933000     -0.2886000      0.5480000
  1 1 1       2  -20    8 o    6.912000      0.2671000       6.928000 0.3671000       6.895000      0.3881000      0.3287000E-01  0.5342000
  1 1 1       2  -20    9 o    1.958000      0.4998000       2.010000 0.7192000       1.907000      0.6942000      0.1028000      0.9996000
  1 1 1       2  -20   10 o    4.102000      0.3322000       4.092000 0.4962000       4.112000      0.4417000     -0.1955000E-01  0.6644000
  1 1 1       2  -20   11 o    8.450000      0.2393000       8.619000 0.3699000       8.281000      0.3038000      0.3387000      0.4786000
  1 1 1       2  -20   12 o    6.839000      0.2505000       7.074000 0.3940000       6.604000      0.3094000      0.4691000      0.5010000
  1 1 1       2  -20   13 f    9.832000      0.2377000       9.809000 0.3727000       9.855000      0.2952000     -0.4592000E-01  0.4754000
  1 1 1       2  -20   14 o    7.729000      0.2365000       7.622000 0.3743000       7.836000      0.2893000     -0.2136000      0.4731000
  1 1 1       2  -20   15 o    2.778000      0.4471000       2.931000 0.6831000       2.624000      0.5772000      0.3068000      0.8942000
  1 1 1       2  -20   16 o    8.477000      0.2195000       8.530000 0.3387000       8.423000      0.2793000      0.1070000      0.4390000
  1 1 1       2  -20   17 o    6.004000      0.2688000       6.181000 0.4180000       5.827000      0.3380000      0.3535000      0.5376000
  1 1 1       2  -20   18 o    3.261000      0.4177000       2.701000 0.6876000       3.821000      0.4745000      -1.120000      0.8354000
  1 1 1       2  -20   19 o    3.416000      0.4074000       2.869000 0.6771000       3.963000      0.4531000      -1.093000      0.8147000
  1 1 1       2  -20   20 o    6.623000      0.2280000       6.492000 0.3439000       6.754000      0.2995000     -0.2624000      0.4560000
  1 1 1       2  -20   21 o    4.708000      0.3145000       5.205000 0.4357000       4.212000      0.4537000      0.9935000      0.6290000
  1 1 1       2  -20   22 o    1.750000      0.4960000       1.735000 0.6985000       1.764000      0.7043000     -0.2914000E-01  0.9920000
  1 1 1       2  -20   23 o    2.080000      0.5090000       2.497000 0.7425000       1.662000      0.6964000      0.8346000       1.018000
  1 1 1       2  -20   24 o    1.778000      0.5129000       1.755000 0.7216000       1.801000      0.7292000     -0.4570000E-01   1.026000
  1 1 1       2  -20   25 f    1.654000      0.5049000       1.818000 0.7450000       1.489000      0.6816000      0.3297000       1.010000
  1 1 1       2  -20   26 o    4.063000      0.4264000       3.811000 0.6039000       4.315000      0.6022000     -0.5035000      0.8529000
  1 1 1       2  -20   27 o    3.217000      0.5612000       2.482000 0.8590000       3.951000      0.7223000      -1.469000       1.122000
  1 1 1       2  -20   28 o    6.758000      0.3174000       6.930000 0.4406000       6.586000      0.4570000      0.3437000      0.6348000
  1 1 1       2  -20   29 o    5.994000      0.3655000       5.976000 0.5144000       6.013000      0.5194000     -0.3689000E-01  0.7310000
  1 1 1       2  -19    0 o    2.796000      0.7363000       3.053000 1.123000       2.538000      0.9525000      0.5154000       1.473000
  1 1 1       2  -19    1 o    2.527000      0.6981000       2.253000 1.012000       2.800000      0.9617000     -0.5478000       1.396000
  1 1 1       2  -19    2 o    3.872000      0.7570000       4.519000 1.084000       3.224000       1.056000       1.295000       1.514000
  1 1 1       2  -19    3 o    1.714000      0.5808000       1.647000 0.7786000       1.781000      0.8621000     -0.1338000       1.162000
  1 1 1       2  -19    4 o    2.306000      0.6919000       1.925000 0.8479000       2.687000       1.094000     -0.7624000       1.384000
  1 1 1       2  -19    5 o    5.983000      0.3915000       5.579000 0.5187000       6.386000      0.5866000     -0.8068000      0.7831000
  1 1 1       2  -19    6 o    3.381000      0.9910000       4.751000 1.813000       2.011000      0.8018000       2.741000       1.982000
  1 1 1       2  -19    7 o    7.203000       1.141000       5.139000 2.075000       9.267000      0.9512000      -4.128000       2.283000
  1 1 1       2  -19    8 o    5.559000       2.153000       5.559000 2.153000                  ?              ?              ?              ?
  1 1 1       2  -19    9 o    3.760000       1.120000       4.410000 1.854000       3.110000       1.256000       1.300000       2.239000
  1 1 1       2  -19   10 f    7.565000      0.6910000                  ?       ?   7.565000      0.6910000                  ?              ?
  1 1 1       2  -19   11 o    5.970000      0.8222000       6.817000 1.399000       5.122000      0.8637000       1.695000       1.644000
  1 1 1       2  -19   12 o    9.049000      0.6086000       7.840000 1.099000       10.26000      0.5233000      -2.418000       1.217000
  1 1 1       2  -19   13 f    4.427000      0.4996000       4.895000 0.9247000       3.960000      0.3785000      0.9350000      0.9991000
  1 1 1       2  -19   14 o    1.145000      0.3801000       1.171000 0.5599000       1.120000      0.5141000      0.5058000E-01  0.7601000
  1 1 1       2  -19   15 o    2.542000      0.4444000       2.107000 0.7414000       2.977000      0.4904000     -0.8699000      0.8889000
  1 1 1       2  -19   16 o    5.933000      0.2468000       5.923000 0.3872000       5.942000      0.3061000     -0.1967000E-01  0.4936000
  1 1 1       2  -19   17 o    7.530000      0.2131000       7.581000 0.3201000       7.479000      0.2814000      0.1017000      0.4263000
  1 1 1       2  -19   18 o    3.077000      0.3751000       2.772000 0.5892000       3.382000      0.4645000     -0.6101000      0.7503000
  1 1 1       2  -19   19 o    4.921000      0.2543000       5.064000 0.3652000       4.778000      0.3540000      0.2862000      0.5086000
  1 1 1       2  -19   20 o    4.983000      0.2716000       5.369000 0.3751000       4.598000      0.3927000      0.7707000      0.5431000
  1 1 1       2  -19   21 o    7.214000      0.2423000       7.454000 0.3764000       6.973000      0.3053000      0.4812000      0.4847000
  1 1 1       2  -19   22 o    5.792000      0.2498000       5.386000 0.3648000       6.197000      0.3414000     -0.8104000      0.4996000
  1 1 1       2  -19   23 f    5.970000      0.2577000       5.885000 0.3695000       6.056000      0.3592000     -0.1718000      0.5154000
  1 1 1       2  -19   24 o    2.288000      0.6185000       2.309000 0.9866000       2.268000      0.7461000      0.4097000E-01   1.237000
  1 1 1       2  -19   25 o    5.435000      0.3041000       5.351000 0.4281000       5.518000      0.4319000     -0.1666000      0.6082000
  1 1 1       2  -19   26 o    1.702000      0.5180000       1.742000 0.7324000       1.662000      0.7326000      0.8048000E-01   1.036000
  1 1 1       2  -19   27 o    2.073000      0.5482000       2.431000 0.7992000       1.715000      0.7505000      0.7157000       1.096000
  1 1 1       2  -19   28 o    4.042000      0.4868000       4.280000 0.6097000       3.804000      0.7591000      0.4761000      0.9736000
  1 1 1       2  -19   29 o    3.236000      0.5621000       2.887000 0.8119000       3.585000      0.7777000     -0.6977000       1.124000
  1 1 1       2  -19   30 o    1.947000      0.5605000       2.392000 0.8695000       1.503000      0.7075000      0.8887000       1.121000
  1 1 1       2  -18    0 o    7.204000      0.5160000       6.742000 0.8630000       7.667000      0.5660000     -0.9246000       1.032000
  1 1 1       2  -18    1 o    4.760000      0.7141000       4.385000 1.195000       5.134000      0.7826000     -0.7483000       1.428000
  1 1 1       2  -18    2 o    3.990000      0.8294000       3.113000 1.327000       4.867000      0.9954000      -1.755000       1.659000
  1 1 1       2  -18    3 o    4.472000      0.5323000       3.987000 0.7291000       4.957000      0.7758000     -0.9697000       1.065000
  1 1 1       2  -18    4 o    2.806000      0.7284000       2.279000 0.9149000       3.333000       1.134000      -1.054000       1.457000
  1 1 1       2  -18    5 o    6.150000      0.3410000       5.931000 0.4414000       6.368000      0.5200000     -0.4366000      0.6821000
  1 1 1       2  -18    6 f    1.409000      0.4535000       1.266000 0.5849000       1.553000      0.6933000     -0.2870000      0.9071000
  1 1 1       2  -18    7 o    3.287000      0.4482000       2.971000 0.6303000       3.603000      0.6374000     -0.6325000      0.8964000
  1 1 1       2  -18    8 o    2.421000      0.6421000       2.421000 0.6421000                  ?              ?              ?              ?
  1 1 1       2  -18    9 o    5.750000      0.2320000       5.639000 0.3494000       5.861000      0.3053000     -0.2212000      0.4640000
  1 1 1       2  -18   11 o    5.418000      0.2529000       5.778000 0.3978000       5.058000      0.3126000      0.7191000      0.5059000
  1 1 1       2  -18   12 o    5.010000      0.2611000       5.426000 0.4064000       4.593000      0.3280000      0.8328000      0.5223000
  1 1 1       2  -18   13 o    4.232000      0.2863000       4.271000 0.4530000       4.193000      0.3502000      0.7781000E-01  0.5726000
  1 1 1       2  -18   14 o    2.462000      0.4376000       2.527000 0.6809000       2.398000      0.5500000      0.1282000      0.8752000
  1 1 1       2  -18   15 o    8.779000      0.1936000       8.810000 0.2960000       8.749000      0.2497000      0.6073000E-01  0.3873000
  1 1 1       2  -18   16 o    4.370000      0.3539000       4.450000 0.5133000       4.290000      0.4873000      0.1606000      0.7078000
  1 1 1       2  -18   17 o    4.751000      0.2987000       4.688000 0.4033000       4.813000      0.4407000     -0.1251000      0.5974000
  1 1 1       2  -18   18 o    5.752000      0.2701000       5.852000 0.3739000       5.651000      0.3899000      0.2010000      0.5402000
  1 1 1       2  -18   19 o    6.510000      0.2600000       6.724000 0.3457000       6.297000      0.3884000      0.4271000      0.5200000
  1 1 1       2  -18   20 o    6.373000      0.2637000       6.139000 0.3585000       6.608000      0.3867000     -0.4698000      0.5273000
  1 1 1       2  -18   21 o    8.040000      0.2225000       7.945000 0.3398000       8.135000      0.2875000     -0.1900000      0.4451000
  1 1 1       2  -18   22 o    1.744000      0.4611000       1.572000 0.6393000       1.916000      0.6646000     -0.3447000      0.9222000
  1 1 1       2  -18   23 o    8.661000      0.2177000       8.542000 0.3099000       8.780000      0.3058000     -0.2382000      0.4354000
  1 1 1       2  -18   24 o    4.702000      0.3045000       4.965000 0.4002000       4.440000      0.4592000      0.5254000      0.6091000
  1 1 1       2  -18   25 o    1.561000      0.4706000       1.483000 0.6427000       1.639000      0.6876000     -0.1563000      0.9412000
  1 1 1       2  -18   26 o    2.755000      0.5175000       2.822000 0.6935000       2.688000      0.7685000      0.1337000       1.035000
  1 1 1       2  -18   27 o    5.643000      0.3127000       5.632000 0.4282000       5.654000      0.4558000     -0.2131000E-01  0.6254000
  1 1 1       2  -18   28 o    3.617000      0.4963000       4.209000 0.5728000       3.026000      0.8107000       1.183000      0.9926000
  1 1 1       2  -18   29 o    2.626000      0.5664000       1.971000 0.8025000       3.281000      0.7994000      -1.310000       1.133000
  1 1 1       2  -18   30 o    2.000000      0.5694000       1.668000 0.7537000       2.332000      0.8537000     -0.6647000       1.139000
  1 1 1       2  -18   31 o    2.584000      0.5996000       2.855000 0.8093000       2.313000      0.8848000      0.5420000       1.199000
  1 1 1       2  -17    0 o    8.629000       1.023000       9.209000 0.5554000       8.049000       1.969000       1.160000       2.046000
  1 1 1       2  -17    1 o    6.659000      0.4730000       6.468000 0.7782000       6.849000      0.5380000     -0.3812000      0.9460000
  1 1 1       2  -17    2 o    3.003000      0.9559000       2.313000 1.038000       3.694000       1.606000      -1.381000       1.912000
  1 1 1       2  -17    3 o    3.415000      0.8752000       3.054000 0.9976000       3.777000       1.438000     -0.7222000       1.750000
  1 1 1       2  -17    4 o    2.780000      0.7994000       2.504000 0.9407000       3.056000       1.293000     -0.5524000       1.599000
  1 1 1       2  -17    5 o    2.128000      0.5911000       2.169000 0.7943000       2.086000      0.8756000      0.8244000E-01   1.182000
  1 1 1       2  -17    6 o    3.437000      0.4109000       3.096000 0.5842000       3.778000      0.5778000     -0.6816000      0.8217000
  1 1 1       2  -17    7 o    6.494000      0.2714000       6.885000 0.3450000       6.104000      0.4191000      0.7812000      0.5429000
  1 1 1       2  -17    8 o    4.566000      0.2647000       4.639000 0.3703000       4.493000      0.3783000      0.1463000      0.5294000
  1 1 1       2  -17    9 f    2.594000      0.3964000       3.054000 0.5106000       2.133000      0.6066000      0.9217000      0.7929000
  1 1 1       2  -17   10 o    5.404000      0.2507000       4.957000 0.3793000       5.850000      0.3278000     -0.8926000      0.5013000
  1 1 1       2  -17   11 o    9.065000      0.2386000       9.272000 0.3572000       8.859000      0.3165000      0.4127000      0.4773000
  1 1 1       2  -17   12 o    7.757000      0.2423000       7.655000 0.3684000       7.860000      0.3148000     -0.2054000      0.4846000
  1 1 1       2  -17   13 o    5.965000      0.2749000       6.163000 0.4161000       5.766000      0.3593000      0.3970000      0.5497000
  1 1 1       2  -17   14 o    5.356000      0.3122000       5.288000 0.4877000       5.425000      0.3897000     -0.1368000      0.6243000
  1 1 1       2  -17   15 o    4.329000      0.4037000       4.370000 0.6528000       4.288000      0.4750000      0.8244000E-01  0.8073000
  1 1 1       2  -17   16 o    2.814000      0.3303000       2.723000 0.5215000       2.905000      0.4054000     -0.1820000      0.6605000
  1 1 1       2  -17   17 o    9.866000      0.1884000       9.991000 0.2788000       9.742000      0.2535000      0.2491000      0.3768000
  1 1 1       2  -17   18 o    5.434000      0.2128000       5.208000 0.3217000       5.660000      0.2785000     -0.4519000      0.4255000
  1 1 1       2  -17   19 o    7.167000      0.1939000       7.364000 0.2768000       6.969000      0.2717000      0.3953000      0.3878000
  1 1 1       2  -17   20 o    4.164000      0.2666000       4.073000 0.3843000       4.255000      0.3696000     -0.1829000      0.5333000
  1 1 1       2  -17   21 o    3.593000      0.3112000       3.544000 0.4326000       3.642000      0.4474000     -0.9809000E-01  0.6224000
  1 1 1       2  -17   22 o    2.001000      0.4947000       1.526000 0.6258000       2.475000      0.7663000     -0.9491000      0.9893000
  1 1 1       2  -17   23 o    5.118000      0.3341000       5.357000 0.3832000       4.880000      0.5475000      0.4770000      0.6683000
  1 1 1       2  -17   24 o    3.443000      0.4619000       3.635000 0.5155000       3.250000      0.7666000      0.3853000      0.9238000
  1 1 1       2  -17   25 o    6.915000      0.2505000       7.179000 0.3600000       6.652000      0.3485000      0.5274000      0.5010000
  1 1 1       2  -17   26 o    4.214000      0.3570000       4.544000 0.4388000       3.884000      0.5631000      0.6595000      0.7139000
  1 1 1       2  -17   27 o    5.528000      0.3061000       5.861000 0.3954000       5.196000      0.4674000      0.6649000      0.6122000
  1 1 1       2  -17   28 o    2.083000      0.5597000       1.799000 0.7358000       2.367000      0.8436000     -0.5679000       1.119000
  1 1 1       2  -17   29 o    4.411000      0.4420000       4.717000 0.5489000       4.105000      0.6930000      0.6117000      0.8840000
  1 1 1       2  -17   30 o    2.840000      0.5639000       3.650000 0.7596000       2.029000      0.8337000       1.621000       1.128000
  1 1 1       2  -17   31 o    3.284000      0.5620000       2.847000 0.8244000       3.721000      0.7639000     -0.8740000       1.124000
  1 1 1       2  -17   32 o    3.498000      0.5643000       3.254000 0.8290000       3.742000      0.7657000     -0.4884000       1.129000
  1 1 1       2  -16    0 o    9.153000       1.086000       10.69000 0.7252000       7.611000       2.048000       3.083000       2.172000
  1 1 1       2  -16    1 o    2.928000      0.6569000       2.193000 0.9739000       3.662000      0.8818000      -1.469000       1.314000
  1 1 1       2  -16    2 o    11.13000      0.4287000       11.06000 0.6527000       11.21000      0.5561000     -0.1510000      0.8574000
  1 1 1       2  -16    3 o    5.023000      0.6324000       5.511000 0.6887000       4.535000       1.061000      0.9759000       1.265000
  1 1 1       2  -16    4 o    3.695000      0.6168000       2.216000 0.8684000       5.174000      0.8761000      -2.957000       1.234000
  1 1 1       2  -16    5 o    2.022000      0.5582000       2.192000 0.7739000       1.852000      0.8047000      0.3398000       1.116000
  1 1 1       2  -16    6 o    5.199000      0.2835000       5.402000 0.3629000       4.996000      0.4357000      0.4066000      0.5671000
  1 1 1       2  -16    7 o    4.788000      0.2869000       4.827000 0.3838000       4.749000      0.4267000      0.7812000E-01  0.5739000
  1 1 1       2  -16    8 o    4.950000      0.2330000       4.915000 0.3401000       4.986000      0.3185000     -0.7049000E-01  0.4660000
  1 1 1       2  -16    9 o    4.769000      0.2278000       4.795000 0.3407000       4.742000      0.3025000      0.5273000E-01  0.4557000
  1 1 1       2  -16   10 o    3.664000      0.3001000       3.284000 0.5138000       4.044000      0.3102000     -0.7596000      0.6002000
  1 1 1       2  -16   11 o    3.707000      0.2859000       3.483000 0.4821000       3.931000      0.3076000     -0.4487000      0.5719000
  1 1 1       2  -16   12 o    4.939000      0.2170000       4.776000 0.3476000       5.102000      0.2599000     -0.3259000      0.4340000
  1 1 1       2  -16   13 o    3.109000      0.2957000       3.089000 0.4704000       3.130000      0.3584000     -0.4088000E-01  0.5913000
  1 1 1       2  -16   14 o    2.227000      0.3952000       2.046000 0.6069000       2.409000      0.5064000     -0.3626000      0.7904000
  1 1 1       2  -16   15 o    2.932000      0.2933000       2.905000 0.4287000       2.958000      0.4004000     -0.5231000E-01  0.5866000
  1 1 1       2  -16   16 o    1.647000      0.4162000       1.765000 0.6033000       1.529000      0.5735000      0.2361000      0.8323000
  1 1 1       2  -16   17 o    5.034000      0.3788000       5.062000 0.6238000       5.006000      0.4300000      0.5622000E-01  0.7577000
  1 1 1       2  -16   18 o    7.319000      0.3113000       7.152000 0.4991000       7.485000      0.3720000     -0.3334000      0.6225000
  1 1 1       2  -16   19 o    5.315000      0.3933000       5.281000 0.6531000       5.349000      0.4384000     -0.6812000E-01  0.7866000
  1 1 1       2  -16   20 o    2.614000      0.5568000       2.018000 0.8727000       3.209000      0.6918000      -1.192000       1.114000
  1 1 1       2  -16   21 o    5.365000      0.4210000       5.220000 0.6876000       5.510000      0.4859000     -0.2904000      0.8419000
  1 1 1       2  -16   22 o    7.017000      0.2103000       6.835000 0.2937000       7.199000      0.3012000     -0.3643000      0.4207000
  1 1 1       2  -16   23 o    9.332000      0.2091000       9.424000 0.2998000       9.240000      0.2916000      0.1837000      0.4182000
  1 1 1       2  -16   24 o    5.748000      0.2493000       6.174000 0.3242000       5.323000      0.3789000      0.8513000      0.4986000
  1 1 1       2  -16   25 o    1.667000      0.4621000       1.884000 0.6883000       1.451000      0.6167000      0.4334000      0.9242000
  1 1 1       2  -16   26 o    7.359000      0.3043000       7.084000 0.3765000       7.634000      0.4781000     -0.5499000      0.6086000
  1 1 1       2  -16   27 o    8.397000      0.3100000       8.492000 0.3841000       8.301000      0.4868000      0.1911000      0.6200000
  1 1 1       2  -16   28 o    1.983000      0.5388000       2.163000 0.7585000       1.804000      0.7654000      0.3594000       1.078000
  1 1 1       2  -16   29 o    2.560000      0.5746000       2.749000 0.7793000       2.371000      0.8447000      0.3771000       1.149000
  1 1 1       2  -16   30 o    1.914000      0.5636000       1.767000 0.7569000       2.061000      0.8353000     -0.2937000       1.127000
  1 1 1       2  -16   31 o    1.438000      0.4779000       1.381000 0.6510000       1.494000      0.6999000     -0.1123000      0.9559000
  1 1 1       2  -16   32 o    4.280000      0.4757000       4.983000 0.5460000       3.576000      0.7792000       1.407000      0.9515000
  1 1 1       2  -15    0 o    14.20000      0.3756000       14.52000 0.5793000       13.87000      0.4784000      0.6514000      0.7513000
  1 1 1       2  -15    1 o    4.764000      0.5632000       5.205000 0.8494000       4.323000      0.7399000      0.8825000       1.126000
  1 1 1       2  -15    2 o    3.236000      0.7996000       3.391000 1.181000       3.081000       1.078000      0.3106000       1.599000
  1 1 1       2  -15    3 o    6.544000      0.4499000       7.150000 0.5221000       5.938000      0.7327000       1.212000      0.8997000
  1 1 1       2  -15    4 o    3.010000      0.6800000       3.055000 0.8443000       2.966000       1.066000      0.8893000E-01   1.360000
  1 1 1       2  -15    5 o    4.504000      0.3848000       4.189000 0.5190000       4.818000      0.5682000     -0.6291000      0.7696000
  1 1 1       2  -15    6 o    11.43000      0.2491000       11.18000 0.3599000       11.69000      0.3446000     -0.5075000      0.4982000
  1 1 1       2  -15    7 o    10.07000      0.2260000       9.692000 0.3286000       10.46000      0.3104000     -0.7645000      0.4520000
  1 1 1       2  -15    8 o    6.610000      0.1933000       6.550000 0.2811000       6.670000      0.2656000     -0.1203000      0.3867000
  1 1 1       2  -15    9 o    1.562000      0.3743000       1.520000 0.5829000       1.603000      0.4698000     -0.8375000E-01  0.7486000
  1 1 1       2  -15   10 o    5.374000      0.2063000       5.218000 0.3242000       5.531000      0.2551000     -0.3131000      0.4125000
  1 1 1       2  -15   11 o    2.775000      0.3527000       1.873000 0.6450000       3.678000      0.2857000      -1.805000      0.7054000
  1 1 1       2  -15   12 f    3.940000      0.2310000       4.006000 0.3629000       3.874000      0.2858000      0.1328000      0.4619000
  1 1 1       2  -15   13 o    7.601000      0.1687000       7.449000 0.2492000       7.752000      0.2274000     -0.3030000      0.3373000
  1 1 1       2  -15   14 o    3.533000      0.2323000       3.583000 0.3306000       3.483000      0.3263000      0.1003000      0.4645000
  1 1 1       2  -15   15 o    2.372000      0.3471000       2.269000 0.5284000       2.474000      0.4502000     -0.2052000      0.6942000
  1 1 1       2  -15   16 o    7.567000      0.1752000       7.693000 0.2602000       7.442000      0.2349000      0.2506000      0.3505000
  1 1 1       2  -15   17 o    9.567000      0.1816000       9.523000 0.2625000       9.611000      0.2510000     -0.8789000E-01  0.3632000
  1 1 1       2  -15   18 o    3.817000      0.2486000       3.911000 0.3386000       3.723000      0.3640000      0.1875000      0.4972000
  1 1 1       2  -15   19 o    6.680000      0.1921000       6.691000 0.2730000       6.669000      0.2703000      0.2175000E-01  0.3841000
  1 1 1       2  -15   20 o    10.47000      0.1982000       10.51000 0.2849000       10.44000      0.2758000      0.6353000E-01  0.3965000
  1 1 1       2  -15   21 o    1.114000      0.3644000       1.216000 0.5416000       1.011000      0.4877000      0.2051000      0.7288000
  1 1 1       2  -15   22 f    5.340000      0.4787000       4.437000 0.8432000       6.244000      0.4536000      -1.807000      0.9574000
  1 1 1       2  -15   23 o    9.136000      0.3377000       8.805000 0.5200000       9.466000      0.4311000     -0.6614000      0.6754000
  1 1 1       2  -15   24 o    5.836000      0.4428000       6.370000 0.6868000       5.303000      0.5592000       1.068000      0.8857000
  1 1 1       2  -15   25 o    2.178000      0.4968000       2.183000 0.6767000       2.173000      0.7276000      0.9949000E-02  0.9937000
  1 1 1       2  -15   26 o    9.148000      0.2269000       8.821000 0.3173000       9.475000      0.3244000     -0.6530000      0.4538000
  1 1 1       2  -15   27 f    2.478000      0.5042000       3.173000 0.6831000       1.784000      0.7417000       1.388000       1.008000
  1 1 1       2  -15   28 o    5.465000      0.4088000       5.360000 0.4853000       5.570000      0.6580000     -0.2098000      0.8176000
  1 1 1       2  -15   29 o    1.979000      0.5726000       1.243000 0.6011000       2.715000      0.9748000      -1.471000       1.145000
  1 1 1       2  -15   30 o    1.897000      0.5795000       1.945000 0.7927000       1.848000      0.8454000      0.9690000E-01   1.159000
  1 1 1       2  -15   31 o    2.000000      0.5781000       1.916000 0.7878000       2.084000      0.8462000     -0.1683000       1.156000
  1 1 1       2  -15   32 o    5.199000      0.3876000       5.516000 0.5098000       4.883000      0.5840000      0.6323000      0.7752000
  1 1 1       2  -15   33 o    1.743000      0.5395000       1.863000 0.7860000       1.623000      0.7393000      0.2396000       1.079000
  1 1 1       2  -14    0 f    9.134000      0.3237000       8.491000 0.4949000       9.776000      0.4174000      -1.286000      0.6474000
  1 1 1       2  -14    1 o    2.363000      0.6066000       1.806000 0.8422000       2.921000      0.8732000      -1.115000       1.213000
  1 1 1       2  -14    2 o    5.784000      0.5557000       5.681000 0.8550000       5.888000      0.7100000     -0.2074000       1.111000
  1 1 1       2  -14    3 o    1.986000      0.6115000       2.132000 0.8705000       1.839000      0.8589000      0.2927000       1.223000
  1 1 1       2  -14    4 o    6.791000      0.3863000       6.805000 0.4601000       6.776000      0.6205000      0.2887000E-01  0.7725000
  1 1 1       2  -14    5 o    9.992000      0.2679000       10.31000 0.3720000       9.675000      0.3856000      0.6321000      0.5358000
  1 1 1       2  -14    6 o    14.16000      0.2683000       13.55000 0.3911000       14.77000      0.3674000      -1.217000      0.5366000
  1 1 1       2  -14    7 o    1.492000      0.4239000       1.489000 0.5958000       1.495000      0.6032000     -0.5749000E-02  0.8479000
  1 1 1       2  -14    8 o    8.792000      0.1940000       8.950000 0.2895000       8.635000      0.2581000      0.3144000      0.3879000
  1 1 1       2  -14    9 o    5.496000      0.2831000       5.496000 0.2831000                  ?              ?              ?              ?
  1 1 1       2  -14   10 o    3.501000      0.2376000       3.134000 0.3971000       3.868000      0.2612000     -0.7340000      0.4753000
  1 1 1       2  -14   11 o    6.825000      0.2152000                  ?       ?   6.825000      0.2152000                  ?              ?
  1 1 1       2  -14   12 o    2.209000      0.3451000       2.336000 0.5276000       2.082000      0.4449000      0.2534000      0.6902000
  1 1 1       2  -14   13 o    3.969000      0.1975000       4.011000 0.2918000       3.928000      0.2661000      0.8262000E-01  0.3949000
  1 1 1       2  -14   14 o    1.945000      0.3453000       1.842000 0.5298000       2.048000      0.4429000     -0.2069000      0.6905000
  1 1 1       2  -14   15 o    2.495000      0.3118000       2.438000 0.4582000       2.553000      0.4230000     -0.1153000      0.6236000
  1 1 1       2  -14   16 o    8.857000      0.1717000       8.802000 0.2455000       8.913000      0.2401000     -0.1107000      0.3434000
  1 1 1       2  -14   17 o    8.061000      0.1704000       8.010000 0.2449000       8.113000      0.2371000     -0.1027000      0.3408000
  1 1 1       2  -14   18 o    3.433000      0.2650000       3.498000 0.3665000       3.368000      0.3828000      0.1297000      0.5300000
  1 1 1       2  -14   19 o    6.033000      0.1938000       5.860000 0.2716000       6.207000      0.2767000     -0.3470000      0.3877000
  1 1 1       2  -14   20 o    3.385000      0.3074000       2.828000 0.4791000       3.942000      0.3853000      -1.114000      0.6148000
  1 1 1       2  -14   21 f    10.60000      0.2021000       10.49000 0.2875000       10.71000      0.2841000     -0.2177000      0.4042000
  1 1 1       2  -14   22 o    3.276000      0.3656000       3.225000 0.4960000       3.327000      0.5372000     -0.1027000      0.7312000
  1 1 1       2  -14   23 o    4.040000      0.2980000       3.805000 0.4151000       4.276000      0.4277000     -0.4714000      0.5960000
  1 1 1       2  -14   24 o    1.926000      0.4910000       1.841000 0.6739000       2.012000      0.7142000     -0.1705000      0.9820000
  1 1 1       2  -14   25 o    3.083000      0.6817000       3.620000 1.030000       2.547000      0.8929000       1.073000       1.363000
  1 1 1       2  -14   26 o    2.447000      0.6425000       3.423000 1.079000       1.472000      0.6983000       1.950000       1.285000
  1 1 1       2  -14   27 o    8.887000      0.2982000       9.139000 0.3257000       8.635000      0.4996000      0.5036000      0.5964000
  1 1 1       2  -14   28 o    6.287000      0.3613000       5.985000 0.4087000       6.589000      0.5960000     -0.6039000      0.7227000
  1 1 1       2  -14   29 o    4.015000      0.4239000       3.909000 0.5981000       4.120000      0.6010000     -0.2112000      0.8479000
  1 1 1       2  -14   30 o    2.255000      0.6285000       1.838000 0.7768000       2.672000      0.9884000     -0.8342000       1.257000
  1 1 1       2  -14   31 o    2.236000      0.6172000       2.623000 0.8890000       1.850000      0.8563000      0.7735000       1.234000
  1 1 1       2  -14   32 o    2.317000      0.6021000       2.174000 0.8166000       2.460000      0.8850000     -0.2861000       1.204000
  1 1 1       2  -14   33 o    2.677000      0.5828000       3.150000 0.7981000       2.205000      0.8495000      0.9449000       1.166000
  1 1 1       2  -14   34 o    2.854000      0.5735000       3.346000 0.7492000       2.363000      0.8684000      0.9836000       1.147000
  1 1 1       2  -13    0 o    8.832000      0.2969000       8.519000 0.4448000       9.146000      0.3935000     -0.6263000      0.5939000
  1 1 1       2  -13    1 o    10.36000      0.3777000       9.646000 0.6359000       11.08000      0.4076000      -1.433000      0.7554000
  1 1 1       2  -13    2 f    6.141000      0.5067000       5.674000 0.8192000       6.608000      0.5968000     -0.9344000       1.013000
  1 1 1       2  -13    3 o    1.572000      0.5274000       1.373000 0.6621000       1.772000      0.8212000     -0.3989000       1.055000
  1 1 1       2  -13    4 o    9.253000      0.4217000       9.016000 0.4167000       9.490000      0.7333000     -0.4731000      0.8435000
  1 1 1       2  -13    5 o    5.115000      0.3420000       5.550000 0.3863000       4.681000      0.5645000      0.8688000      0.6840000
  1 1 1       2  -13    6 o    3.998000      0.3105000       3.739000 0.4115000       4.258000      0.4650000     -0.5189000      0.6209000
  1 1 1       2  -13    7 o    8.468000      0.1960000       8.415000 0.2902000       8.521000      0.2636000     -0.1063000      0.3920000
  1 1 1       2  -13    8 o    3.524000      0.2445000       3.306000 0.3703000       3.743000      0.3192000     -0.4370000      0.4889000
  1 1 1       2  -13    9 o    7.891000      0.2700000       7.523000 0.4925000       8.260000      0.2216000     -0.7367000      0.5401000
  1 1 1       2  -13   10 o    2.333000      0.3082000       2.411000 0.4759000       2.255000      0.3917000      0.1567000      0.6164000
  1 1 1       2  -13   11 o    1.231000      0.3419000       1.041000 0.4692000       1.421000      0.4974000     -0.3809000      0.6838000
  1 1 1       2  -13   12 o    5.148000      0.1601000       5.209000 0.2398000       5.087000      0.2121000      0.1217000      0.3201000
  1 1 1       2  -13   13 o    8.779000      0.1617000       8.944000 0.2356000       8.615000      0.2214000      0.3296000      0.3233000
  1 1 1       2  -13   14 o    9.151000      0.1642000       9.220000 0.2375000       9.083000      0.2268000      0.1377000      0.3284000
  1 1 1       2  -13   15 o    4.305000      0.1836000       4.367000 0.2528000       4.243000      0.2663000      0.1238000      0.3672000
  1 1 1       2  -13   16 o    7.154000      0.1657000       7.182000 0.2369000       7.125000      0.2316000      0.5718000E-01  0.3314000
  1 1 1       2  -13   17 o    4.011000      0.2180000       4.235000 0.2911000       3.787000      0.3244000      0.4481000      0.4359000
  1 1 1       2  -13   18 o    4.801000      0.2045000       4.924000 0.2793000       4.679000      0.2989000      0.2454000      0.4090000
  1 1 1       2  -13   19 o    1.387000      0.3889000       1.057000 0.4827000       1.717000      0.6099000     -0.6601000      0.7778000
  1 1 1       2  -13   20 o    1.495000      0.4217000       1.568000 0.5999000       1.423000      0.5927000      0.1454000      0.8433000
  1 1 1       2  -13   21 o    7.954000      0.1988000       7.954000 0.2810000       7.954000      0.2812000     -0.1945000E-03  0.3976000
  1 1 1       2  -13   22 o    1.820000      0.4452000       1.858000 0.5944000       1.783000      0.6628000      0.7430000E-01  0.8903000
  1 1 1       2  -13   23 o    4.904000      0.2623000       5.135000 0.3379000       4.673000      0.4013000      0.4615000      0.5246000
  1 1 1       2  -13   24 o    4.069000      0.3069000       3.812000 0.4299000       4.326000      0.4382000     -0.5139000      0.6138000
  1 1 1       2  -13   25 o    3.969000      0.3357000       3.630000 0.4727000       4.307000      0.4767000     -0.6768000      0.6714000
  1 1 1       2  -13   26 o    3.025000      0.4518000       3.297000 0.5376000       2.753000      0.7262000      0.5434000      0.9036000
  1 1 1       2  -13   27 o    8.059000      0.4051000       8.187000 0.6377000       7.932000      0.4998000      0.2558000      0.8102000
  1 1 1       2  -13   28 o    2.438000      0.7112000       2.591000 1.083000       2.285000      0.9227000      0.3055000       1.422000
  1 1 1       2  -13   29 o    6.600000      0.3421000       6.201000 0.3817000       6.998000      0.5678000     -0.7963000      0.6841000
  1 1 1       2  -13   30 o    2.231000      0.5612000       2.325000 0.7836000       2.137000      0.8035000      0.1882000       1.122000
  1 1 1       2  -13   31 o    4.416000      0.4197000       4.485000 0.5473000       4.347000      0.6365000      0.1377000      0.8395000
  1 1 1       2  -13   32 o    5.035000      0.5647000       5.812000 0.5834000       4.258000      0.9670000       1.554000       1.129000
  1 1 1       2  -13   33 o    5.401000      0.5178000       6.546000 0.5573000       4.256000      0.8730000       2.290000       1.036000
  1 1 1       2  -13   34 o    1.753000      0.5418000       1.646000 0.7390000       1.860000      0.7924000     -0.2145000       1.084000
  1 1 1       2  -12    0 o    20.07000      0.3311000       20.44000 0.4463000       19.71000      0.4893000      0.7263000      0.6622000
  1 1 1       2  -12    1 o    9.800000      0.2780000       9.853000 0.4085000       9.748000      0.3773000      0.1055000      0.5561000
  1 1 1       2  -12    2 o    11.14000      0.3280000       11.29000 0.4752000       10.99000      0.4524000      0.2950000      0.6561000
  1 1 1       2  -12    3 o    6.616000      0.3988000       7.154000 0.5061000       6.079000      0.6166000       1.075000      0.7977000
  1 1 1       2  -12    4 o    11.04000      0.2919000       11.16000 0.3908000       10.93000      0.4336000      0.2346000      0.5837000
  1 1 1       2  -12    5 o    9.828000      0.2384000       9.851000 0.3351000       9.805000      0.3393000      0.4539000E-01  0.4769000
  1 1 1       2  -12    6 o    8.974000      0.2187000       9.058000 0.3136000       8.889000      0.3050000      0.1688000      0.4374000
  1 1 1       2  -12    7 o    10.97000      0.2024000       11.03000 0.3065000       10.91000      0.2644000      0.1133000      0.4048000
  1 1 1       2  -12    8 o    3.945000      0.2038000       3.752000 0.3015000       4.139000      0.2743000     -0.3875000      0.4076000
  1 1 1       2  -12    9 o    8.676000      0.1610000       8.656000 0.2351000       8.696000      0.2201000     -0.4023000E-01  0.3220000
  1 1 1       2  -12   10 o    7.713000      0.1557000       7.700000 0.2319000       7.725000      0.2077000     -0.2474000E-01  0.3113000
  1 1 1       2  -12   11 o    5.532000      0.1511000       5.480000 0.2232000       5.584000      0.2038000     -0.1041000      0.3023000
  1 1 1       2  -12   12 o    2.313000      0.2866000       2.561000 0.3971000       2.064000      0.4134000      0.4970000      0.5733000
  1 1 1       2  -12   13 o    8.988000      0.1603000       8.813000 0.2301000       9.163000      0.2233000     -0.3508000      0.3206000
  1 1 1       2  -12   14 o    5.839000      0.1551000       5.849000 0.2191000       5.830000      0.2196000      0.1894000E-01  0.3102000
  1 1 1       2  -12   15 o    6.992000      0.1577000       7.303000 0.2233000       6.680000      0.2228000      0.6233000      0.3154000
  1 1 1       2  -12   16 o    7.858000      0.1658000       7.947000 0.2382000       7.769000      0.2305000      0.1772000      0.3315000
  1 1 1       2  -12   17 o    3.863000      0.2236000       4.011000 0.3021000       3.715000      0.3296000      0.2956000      0.4471000
  1 1 1       2  -12   18 o    7.391000      0.1801000       7.216000 0.2585000       7.566000      0.2509000     -0.3500000      0.3603000
  1 1 1       2  -12   19 o    14.50000      0.2262000       14.65000 0.3243000       14.36000      0.3154000      0.2924000      0.4524000
  1 1 1       2  -12   20 o    3.259000      0.3239000       3.082000 0.4545000       3.437000      0.4615000     -0.3548000      0.6477000
  1 1 1       2  -12   21 o    5.027000      0.2330000       4.932000 0.3277000       5.123000      0.3313000     -0.1909000      0.4660000
  1 1 1       2  -12   22 o    3.670000      0.3095000       4.022000 0.3663000       3.318000      0.4989000      0.7044000      0.6189000
  1 1 1       2  -12   23 o    5.179000      0.2378000       5.212000 0.3118000       5.146000      0.3591000      0.6607000E-01  0.4756000
  1 1 1       2  -12   24 f    2.840000      0.4166000       2.288000 0.6442000       3.392000      0.5285000      -1.105000      0.8333000
  1 1 1       2  -12   25 o    6.434000      0.2322000       6.587000 0.3116000       6.282000      0.3445000      0.3055000      0.4645000
  1 1 1       2  -12   26 o    7.781000      0.2308000       7.474000 0.3201000       8.088000      0.3325000     -0.6141000      0.4616000
  1 1 1       2  -12   27 o    6.244000      0.2697000       6.630000 0.3448000       5.858000      0.4149000      0.7725000      0.5395000
  1 1 1       2  -12   28 o    7.059000      0.2612000       7.256000 0.3476000       6.862000      0.3900000      0.3940000      0.5224000
  1 1 1       2  -12   29 o    3.000000      0.7271000       3.765000 1.137000       2.235000      0.9070000       1.530000       1.454000
  1 1 1       2  -12   30 o    4.466000      0.6640000       4.844000 1.007000       4.088000      0.8659000      0.7557000       1.328000
  1 1 1       2  -12   31 o    6.179000      0.3195000       5.779000 0.4431000       6.579000      0.4605000     -0.7997000      0.6390000
  1 1 1       2  -12   32 o    5.413000      0.3531000       4.887000 0.5106000       5.940000      0.4877000      -1.053000      0.7061000
  1 1 1       2  -12   33 o    2.294000      0.6469000       1.936000 0.8118000       2.652000       1.007000     -0.7162000       1.294000
  1 1 1       2  -12   34 o    6.017000      0.4449000       6.116000 0.5940000       5.917000      0.6624000      0.1991000      0.8898000
  1 1 1       2  -12   35 o    1.779000      0.5263000       2.065000 0.7903000       1.493000      0.6952000      0.5723000       1.053000
  1 1 1       2  -11    0 o    5.995000      0.8451000       5.693000 0.4699000       6.297000       1.624000     -0.6038000       1.690000
  1 1 1       2  -11    1 o    13.91000      0.3392000       13.08000 0.5097000       14.74000      0.4477000      -1.656000      0.6784000
  1 1 1       2  -11    2 o    25.94000      0.4090000       25.39000 0.5572000       26.50000      0.5988000      -1.114000      0.8180000
  1 1 1       2  -11    3 o    4.360000      0.9786000       5.653000 1.699000       3.066000      0.9712000       2.587000       1.957000
  1 1 1       2  -11    4 o    16.68000      0.3038000       16.78000 0.4521000       16.59000      0.4060000      0.1910000      0.6076000
  1 1 1       2  -11    5 o    6.821000      0.2304000       7.198000 0.2990000       6.444000      0.3507000      0.7539000      0.4608000
  1 1 1       2  -11    6 o    5.274000      0.2114000       5.319000 0.2898000       5.228000      0.3080000      0.9106000E-01  0.4229000
  1 1 1       2  -11    7 o    8.487000      0.1713000       8.463000 0.2542000       8.510000      0.2298000     -0.4687000E-01  0.3427000
  1 1 1       2  -11    8 o    4.037000      0.1824000       3.689000 0.2803000       4.384000      0.2333000     -0.6943000      0.3647000
  1 1 1       2  -11    9 f    10.62000      0.1712000       10.69000 0.2498000       10.54000      0.2342000      0.1504000      0.3424000
  1 1 1       2  -11   10 o    9.819000      0.1583000       10.15000 0.2353000       9.490000      0.2119000      0.6583000      0.3166000
  1 1 1       2  -11   11 o    3.439000      0.1859000       3.398000 0.2809000       3.479000      0.2435000     -0.8141000E-01  0.3717000
  1 1 1       2  -11   12 o    6.871000      0.1467000       6.629000 0.2099000       7.112000      0.2050000     -0.4823000      0.2934000
  1 1 1       2  -11   13 o    7.149000      0.1519000       7.103000 0.2184000       7.196000      0.2110000     -0.9254000E-01  0.3037000
  1 1 1       2  -11   14 o    3.875000      0.1874000       3.701000 0.2699000       4.049000      0.2600000     -0.3479000      0.3748000
  1 1 1       2  -11   15 o    10.24000      0.1758000       10.11000 0.2507000       10.37000      0.2467000     -0.2672000      0.3517000
  1 1 1       2  -11   16 o    5.265000      0.1771000       5.068000 0.2534000       5.462000      0.2474000     -0.3942000      0.3542000
  1 1 1       2  -11   17 o    12.73000      0.2026000       12.72000 0.2892000       12.74000      0.2839000     -0.1852000E-01  0.4052000
  1 1 1       2  -11   18 o    6.894000      0.1813000       6.708000 0.2545000       7.079000      0.2584000     -0.3709000      0.3626000
  1 1 1       2  -11   19 o    4.282000      0.2355000       4.079000 0.3190000       4.485000      0.3465000     -0.4063000      0.4709000
  1 1 1       2  -11   20 o    1.252000      0.3829000       1.005000 0.4721000       1.499000      0.6030000     -0.4941000      0.7659000
  1 1 1       2  -11   21 o    4.275000      0.2624000       4.100000 0.3608000       4.451000      0.3810000     -0.3506000      0.5247000
  1 1 1       2  -11   22 o    3.933000      0.2984000       4.212000 0.3555000       3.654000      0.4793000      0.5583000      0.5967000
  1 1 1       2  -11   23 o    11.96000      0.2130000       11.50000 0.2960000       12.41000      0.3063000     -0.9144000      0.4260000
  1 1 1       2  -11   24 o    7.546000      0.2117000       7.398000 0.2944000       7.695000      0.3044000     -0.2976000      0.4234000
  1 1 1       2  -11   25 o    4.295000      0.3095000       4.201000 0.4054000       4.389000      0.4677000     -0.1881000      0.6189000
  1 1 1       2  -11   26 o    9.185000      0.2170000       8.918000 0.3046000       9.451000      0.3091000     -0.5328000      0.4340000
  1 1 1       2  -11   27 o    3.353000      0.4285000       3.079000 0.6062000       3.626000      0.6057000     -0.5471000      0.8570000
  1 1 1       2  -11   28 o    4.036000      0.3880000       3.734000 0.5495000       4.338000      0.5480000     -0.6039000      0.7760000
  1 1 1       2  -11   29 o    3.153000      0.4894000       3.003000 0.6642000       3.303000      0.7189000     -0.3000000      0.9788000
  1 1 1       2  -11   30 o    6.244000      0.5202000       6.155000 0.8611000       6.333000      0.5838000     -0.1783000       1.040000
  1 1 1       2  -11   31 o    7.586000      0.4606000       7.155000 0.7446000       8.017000      0.5425000     -0.8615000      0.9213000
  1 1 1       2  -11   32 o    3.191000      0.5440000       2.334000 0.8128000       4.048000      0.7233000      -1.713000       1.088000
  1 1 1       2  -11   33 o    2.368000      0.5868000       2.216000 0.7932000       2.521000      0.8650000     -0.3048000       1.174000
  1 1 1       2  -11   34 o    3.120000      0.5280000       2.582000 0.8270000       3.658000      0.6567000      -1.077000       1.056000
  1 1 1       2  -11   35 o    2.938000      0.6798000       2.382000 0.9257000       3.493000      0.9959000      -1.111000       1.360000
  1 1 1       2  -10    0 o    8.370000      0.2418000       8.339000 0.3504000       8.402000      0.3332000     -0.6357000E-01  0.4835000
  1 1 1       2  -10    1 o    18.95000      0.3663000       18.34000 0.5641000       19.57000      0.4673000      -1.237000      0.7325000
  1 1 1       2  -10    2 o    25.10000      0.3997000       24.70000 0.5413000       25.50000      0.5882000     -0.8024000      0.7993000
  1 1 1       2  -10    3 o    12.04000      0.5147000       11.60000 0.9161000       12.48000      0.4695000     -0.8811000       1.029000
  1 1 1       2  -10    4 o    22.47000      0.5755000       21.71000 0.9335000       23.23000      0.6732000      -1.529000       1.151000
  1 1 1       2  -10    6 o    6.539000      0.4738000       6.325000 0.8687000       6.752000      0.3784000     -0.4266000      0.9476000
  1 1 1       2  -10    7 o    28.89000      0.5664000       29.76000 0.8363000       28.03000      0.7642000       1.725000       1.133000
  1 1 1       2  -10    8 o    26.03000      0.5038000       25.46000 0.7030000       26.60000      0.7218000      -1.139000       1.008000
  1 1 1       2  -10    9 o    10.01000      0.2289000       9.990000 0.3308000       10.03000      0.3166000     -0.4540000E-01  0.4579000
  1 1 1       2  -10   10 f    4.982000      0.2084000       4.982000 0.2084000                  ?              ?              ?              ?
  1 1 1       2  -10   11 o    11.92000      0.1806000       11.88000 0.2575000       11.96000      0.2533000     -0.7594000E-01  0.3612000
  1 1 1       2  -10   12 o    2.421000      0.3630000                  ?       ?   2.421000      0.3630000                  ?              ?
  1 1 1       2  -10   13 f    6.831000      0.1502000       7.013000 0.2157000       6.649000      0.2092000      0.3640000      0.3005000
  1 1 1       2  -10   14 o    8.849000      0.1625000       8.829000 0.2327000       8.870000      0.2270000     -0.4074000E-01  0.3250000
  1 1 1       2  -10   15 o    8.466000      0.1618000       8.375000 0.2292000       8.558000      0.2284000     -0.1831000      0.3236000
  1 1 1       2  -10   16 o    6.511000      0.1685000       6.576000 0.2343000       6.446000      0.2423000      0.1295000      0.3370000
  1 1 1       2  -10   17 o    3.296000      0.2567000       3.407000 0.3362000       3.185000      0.3881000      0.2225000      0.5135000
  1 1 1       2  -10   18 o    9.757000      0.1853000       9.868000 0.2651000       9.647000      0.2589000      0.2201000      0.3705000
  1 1 1       2  -10   19 o    9.152000      0.1852000       9.389000 0.2619000       8.915000      0.2618000      0.4741000      0.3704000
  1 1 1       2  -10   20 o    2.536000      0.3825000       2.455000 0.5253000       2.617000      0.5561000     -0.1623000      0.7650000
  1 1 1       2  -10   21 o    3.892000      0.2860000       3.776000 0.3980000       4.007000      0.4110000     -0.2306000      0.5721000
  1 1 1       2  -10   22 o    14.16000      0.2291000       14.14000 0.3249000       14.19000      0.3230000     -0.4127000E-01  0.4582000
  1 1 1       2  -10   23 o    13.15000      0.2221000       12.88000 0.3102000       13.42000      0.3179000     -0.5380000      0.4442000
  1 1 1       2  -10   24 o    5.275000      0.2501000       5.395000 0.3258000       5.154000      0.3796000      0.2410000      0.5003000
  1 1 1       2  -10   25 o    5.262000      0.2612000       5.392000 0.3438000       5.131000      0.3933000      0.2616000      0.5224000
  1 1 1       2  -10   26 o    7.924000      0.2237000       7.976000 0.3095000       7.872000      0.3232000      0.1042000      0.4475000
  1 1 1       2  -10   27 o    3.369000      0.4179000       3.547000 0.5192000       3.190000      0.6550000      0.3561000      0.8358000
  1 1 1       2  -10   28 o    5.831000      0.2845000       5.824000 0.3916000       5.838000      0.4129000     -0.1446000E-01  0.5691000
  1 1 1       2  -10   29 o    4.338000      0.3649000       4.185000 0.4906000       4.492000      0.5404000     -0.3069000      0.7299000
  1 1 1       2  -10   30 o    2.525000      0.5502000       2.160000 0.7642000       2.891000      0.7918000     -0.7316000       1.100000
  1 1 1       2  -10   31 o    8.177000      0.2719000       8.164000 0.3762000       8.190000      0.3928000     -0.2612000E-01  0.5439000
  1 1 1       2  -10   32 o    3.772000      0.7616000       3.516000 1.210000       4.027000      0.9252000     -0.5109000       1.523000
  1 1 1       2  -10   33 o    2.917000      0.5624000       3.127000 0.7662000       2.706000      0.8235000      0.4203000       1.125000
  1 1 1       2  -10   34 o    1.830000      0.5434000       1.741000 0.7482000       1.919000      0.7882000     -0.1774000       1.087000
  1 1 1       2  -10   35 o    2.891000      0.5230000       2.643000 0.7687000       3.139000      0.7094000     -0.4957000       1.046000
  1 1 1       2  -10   36 o    2.489000      0.6764000       2.419000 0.9242000       2.558000      0.9878000     -0.1388000       1.353000
  1 1 1       2   -9    1 o    10.88000      0.2973000       10.50000 0.4671000       11.27000      0.3678000     -0.7663000      0.5946000
  1 1 1       2   -9    2 o    26.63000      0.5545000       26.59000 0.8264000       26.66000      0.7394000     -0.7204000E-01   1.109000
  1 1 1       2   -9    3 o    32.09000      0.5790000       31.58000 0.9541000       32.60000      0.6564000      -1.017000       1.158000
  1 1 1       2   -9    4 o    4.639000      0.3360000       4.511000 0.4102000       4.766000      0.5322000     -0.2554000      0.6719000
  1 1 1       2   -9    5 o    11.05000      0.2810000       10.51000 0.3226000       11.58000      0.4602000      -1.077000      0.5620000
  1 1 1       2   -9    6 o    3.995000      0.1828000       4.121000 0.2549000       3.869000      0.2619000      0.2520000      0.3655000
  1 1 1       2   -9    7 o    9.794000      0.1585000       9.549000 0.2280000       10.04000      0.2202000     -0.4910000      0.3169000
  1 1 1       2   -9    8 o    3.260000      0.1723000       3.298000 0.2618000       3.222000      0.2240000      0.7625000E-01  0.3446000
  1 1 1       2   -9    9 o    12.11000      0.1770000       12.04000 0.2505000       12.18000      0.2502000     -0.1415000      0.3540000
  1 1 1       2   -9   10 o    15.97000      0.3174000       15.97000 0.3174000                  ?              ?              ?              ?
  1 1 1       2   -9   11 o    8.868000      0.2033000       8.782000 0.2809000       8.953000      0.2940000     -0.1715000      0.4066000
  1 1 1       2   -9   12 o    7.669000      0.2910000                  ?       ?   7.669000      0.2910000                  ?              ?
  1 1 1       2   -9   13 f    6.003000      0.1966000       5.998000 0.2615000       6.008000      0.2935000     -0.9350000E-02  0.3931000
  1 1 1       2   -9   14 o    5.581000      0.2126000       5.137000 0.2808000       6.025000      0.3192000     -0.8876000      0.4252000
  1 1 1       2   -9   15 o    6.576000      0.1637000       6.353000 0.2357000       6.800000      0.2271000     -0.4470000      0.3274000
  1 1 1       2   -9   16 o    8.714000      0.1712000       8.837000 0.2441000       8.591000      0.2400000      0.2457000      0.3423000
  1 1 1       2   -9   17 o    7.026000      0.1716000       7.134000 0.2365000       6.918000      0.2488000      0.2157000      0.3432000
  1 1 1       2   -9   18 o    17.58000      0.2570000       17.36000 0.3608000       17.79000      0.3660000     -0.4348000      0.5140000
  1 1 1       2   -9   19 o    5.056000      0.2108000       5.174000 0.2834000       4.938000      0.3120000      0.2365000      0.4215000
  1 1 1       2   -9   20 o    3.431000      0.2954000       3.311000 0.4053000       3.552000      0.4299000     -0.2412000      0.5908000
  1 1 1       2   -9   21 o    6.880000      0.1970000       7.169000 0.2635000       6.591000      0.2929000      0.5785000      0.3939000
  1 1 1       2   -9   22 o    12.13000      0.2114000       11.94000 0.2961000       12.31000      0.3019000     -0.3683000      0.4229000
  1 1 1       2   -9   23 o    7.360000      0.2086000       6.993000 0.2967000       7.727000      0.2934000     -0.7345000      0.4173000
  1 1 1       2   -9   24 o    4.601000      0.2719000       4.773000 0.3525000       4.429000      0.4140000      0.3448000      0.5437000
  1 1 1       2   -9   25 o    8.542000      0.2108000       8.758000 0.2887000       8.326000      0.3072000      0.4317000      0.4215000
  1 1 1       2   -9   26 o    5.432000      0.2706000       5.569000 0.3632000       5.296000      0.4013000      0.2722000      0.5412000
  1 1 1       2   -9   27 o    4.574000      0.3194000       4.660000 0.4233000       4.489000      0.4783000      0.1717000      0.6387000
  1 1 1       2   -9   28 o    10.84000      0.2348000       10.99000 0.3320000       10.69000      0.3323000      0.3015000      0.4697000
  1 1 1       2   -9   29 o    6.909000      0.2670000       7.096000 0.3516000       6.722000      0.4018000      0.3734000      0.5339000
  1 1 1       2   -9   30 o    3.801000      0.4397000       4.125000 0.5255000       3.477000      0.7052000      0.6484000      0.8794000
  1 1 1       2   -9   31 o    6.204000      0.3102000       6.171000 0.4209000       6.237000      0.4559000     -0.6578000E-01  0.6204000
  1 1 1       2   -9   32 o    3.553000      0.5253000       4.521000 0.5678000       2.585000      0.8838000       1.936000       1.051000
  1 1 1       2   -9   33 o    2.514000      0.7071000       3.095000 1.117000       1.933000      0.8675000       1.161000       1.414000
  1 1 1       2   -9   34 o    2.078000      0.5720000       2.335000 0.8368000       1.820000      0.7800000      0.5150000       1.144000
  1 1 1       2   -9   35 o    2.649000      0.5986000       2.542000 0.8338000       2.755000      0.8590000     -0.2133000       1.197000
  1 1 1       2   -9   36 o    1.802000      0.5763000       1.988000 0.8558000       1.617000      0.7721000      0.3710000       1.153000
  1 1 1       2   -8    0 o    23.17000      0.3262000       23.66000 0.4628000       22.68000      0.4600000      0.9787000      0.6525000
  1 1 1       2   -8    1 o    19.41000      0.2961000       19.39000 0.4046000       19.42000      0.4323000     -0.3402000E-01  0.5921000
  1 1 1       2   -8    2 o    18.94000      0.4913000       19.23000 0.5633000       18.65000      0.8052000      0.5816000      0.9827000
  1 1 1       2   -8    3 o    14.78000      0.4287000       15.70000 0.4728000       13.86000      0.7153000       1.840000      0.8574000
  1 1 1       2   -8    4 f    14.69000      0.3296000       14.00000 0.4084000       15.38000      0.5174000      -1.379000      0.6592000
  1 1 1       2   -8    5 o    14.63000      0.2954000       14.62000 0.4093000       14.64000      0.4260000     -0.1661000E-01  0.5908000
  1 1 1       2   -8    6 o    28.41000      0.5413000       29.33000 0.7885000       27.49000      0.7417000       1.847000       1.083000
  1 1 1       2   -8    7 o    6.775000      0.1716000       6.684000 0.2444000       6.866000      0.2409000     -0.1817000      0.3432000
  1 1 1       2   -8    8 o    9.720000      0.2104000       9.799000 0.3021000       9.641000      0.2930000      0.1576000      0.4209000
  1 1 1       2   -8    9 o    12.67000      0.2614000       12.34000 0.3640000       13.00000      0.3751000     -0.6547000      0.5227000
  1 1 1       2   -8   10 o    11.47000      0.2481000       11.63000 0.3569000       11.32000      0.3447000      0.3047000      0.4962000
  1 1 1       2   -8   11 o    7.051000      0.1408000       7.219000 0.1993000       6.883000      0.1990000      0.3360000      0.2816000
  1 1 1       2   -8   12 o    10.35000      0.1659000       10.33000 0.2351000       10.38000      0.2342000     -0.4508000E-01  0.3318000
  1 1 1       2   -8   13 o    9.217000      0.1612000       9.332000 0.2299000       9.102000      0.2260000      0.2307000      0.3224000
  1 1 1       2   -8   14 o    11.08000      0.1783000       11.06000 0.2527000       11.10000      0.2517000     -0.4566000E-01  0.3567000
  1 1 1       2   -8   15 o    2.414000      0.3933000       2.380000 0.4884000       2.447000      0.6167000     -0.6708000E-01  0.7867000
  1 1 1       2   -8   16 o    5.256000      0.2382000       5.195000 0.2966000       5.317000      0.3729000     -0.1217000      0.4764000
  1 1 1       2   -8   17 o    5.891000      0.2396000       6.058000 0.3042000       5.724000      0.3704000      0.3340000      0.4793000
  1 1 1       2   -8   18 o    10.37000      0.1892000       10.59000 0.2718000       10.15000      0.2633000      0.4447000      0.3784000
  1 1 1       2   -8   19 o    6.495000      0.1906000       6.575000 0.2639000       6.416000      0.2750000      0.1586000      0.3812000
  1 1 1       2   -8   20 o    6.242000      0.2034000       6.243000 0.2812000       6.240000      0.2941000      0.3030000E-02  0.4069000
  1 1 1       2   -8   21 o    6.092000      0.2053000       5.844000 0.2893000       6.340000      0.2912000     -0.4952000      0.4105000
  1 1 1       2   -8   22 o    10.93000      0.2029000       10.69000 0.2835000       11.17000      0.2905000     -0.4846000      0.4059000
  1 1 1       2   -8   23 o    7.731000      0.2080000       7.747000 0.2872000       7.715000      0.3009000      0.3178000E-01  0.4160000
  1 1 1       2   -8   24 o    7.308000      0.2136000       7.370000 0.2954000       7.247000      0.3085000      0.1226000      0.4272000
  1 1 1       2   -8   25 o    5.228000      0.2610000       5.358000 0.3520000       5.098000      0.3853000      0.2596000      0.5219000
  1 1 1       2   -8   26 o    6.434000      0.2446000       6.580000 0.3268000       6.288000      0.3640000      0.2918000      0.4892000
  1 1 1       2   -8   27 o    6.932000      0.2418000       6.843000 0.3306000       7.021000      0.3529000     -0.1781000      0.4835000
  1 1 1       2   -8   28 o    11.94000      0.2376000       11.58000 0.3334000       12.29000      0.3386000     -0.7023000      0.4752000
  1 1 1       2   -8   29 o    5.864000      0.2979000       5.163000 0.4443000       6.565000      0.3971000      -1.402000      0.5959000
  1 1 1       2   -8   30 o    1.954000      0.5400000       1.727000 0.7181000       2.180000      0.8066000     -0.4535000       1.080000
  1 1 1       2   -8   31 o    3.770000      0.4858000       3.800000 0.6546000       3.740000      0.7179000      0.6017000E-01  0.9715000
  1 1 1       2   -8   32 o    7.693000      0.2854000       7.573000 0.4087000       7.813000      0.3984000     -0.2400000      0.5707000
  1 1 1       2   -8   33 o    2.994000      0.7461000       3.301000 1.136000       2.686000      0.9673000      0.6149000       1.492000
  1 1 1       2   -8   34 o    3.275000      0.7570000       3.273000 1.123000       3.277000       1.015000     -0.3791000E-02   1.514000
  1 1 1       2   -8   35 f    2.209000      0.5817000       1.893000 0.7896000       2.525000      0.8543000     -0.6320000       1.163000
  1 1 1       2   -8   36 o    3.604000      0.5158000       3.624000 0.7153000       3.585000      0.7433000      0.3967000E-01   1.032000
  1 1 1       2   -7    0 o    3.651000      0.1795000       3.221000 0.2623000       4.081000      0.2451000     -0.8594000      0.3590000
  1 1 1       2   -7    1 o    2.472000      0.4115000       2.015000 0.6823000       2.928000      0.4602000     -0.9129000      0.8231000
  1 1 1       2   -7    2 o    11.15000      0.4544000       11.47000 0.3393000       10.82000      0.8430000      0.6487000      0.9087000
  1 1 1       2   -7    3 f    12.93000      0.2530000       13.22000 0.3652000       12.65000      0.3501000      0.5659000      0.5059000
  1 1 1       2   -7    4 o    8.640000      0.2030000       8.392000 0.2795000       8.887000      0.2944000     -0.4943000      0.4059000
  1 1 1       2   -7    5 o    11.33000      0.2223000       11.59000 0.2796000       11.06000      0.3456000      0.5364000      0.4446000
  1 1 1       2   -7    6 o    19.65000      0.2699000       19.38000 0.3780000       19.92000      0.3852000     -0.5401000      0.5397000
  1 1 1       2   -7    7 o    14.40000      0.2015000       14.16000 0.2824000       14.65000      0.2874000     -0.4887000      0.4029000
  1 1 1       2   -7    8 f    4.859000      0.1172000       4.828000 0.1698000       4.890000      0.1616000     -0.6150000E-01  0.2344000
  1 1 1       2   -7    9 f    12.94000      0.1856000       12.95000 0.2631000       12.92000      0.2620000      0.3304000E-01  0.3713000
  1 1 1       2   -7   10 o    5.477000      0.1319000       5.464000 0.1847000       5.489000      0.1884000     -0.2537000E-01  0.2638000
  1 1 1       2   -7   11 o    3.116000      0.3139000       2.927000 0.5053000       3.305000      0.3726000     -0.3779000      0.6278000
  1 1 1       2   -7   12 o    4.751000      0.2335000       5.132000 0.3527000       4.371000      0.3060000      0.7607000      0.4669000
  1 1 1       2   -7   13 o    2.332000      0.4291000       2.301000 0.6610000       2.363000      0.5473000     -0.6260000E-01  0.8582000
  1 1 1       2   -7   14 o    8.715000      0.1579000       8.580000 0.2256000       8.849000      0.2209000     -0.2687000      0.3157000
  1 1 1       2   -7   15 o    10.71000      0.1788000       10.68000 0.2531000       10.74000      0.2527000     -0.6247000E-01  0.3576000
  1 1 1       2   -7   16 o    9.396000      0.1721000       9.138000 0.2415000       9.654000      0.2454000     -0.5169000      0.3443000
  1 1 1       2   -7   17 o    3.700000      0.3206000       3.959000 0.3682000       3.441000      0.5249000      0.5185000      0.6412000
  1 1 1       2   -7   18 o    9.514000      0.2474000       9.587000 0.3361000       9.441000      0.3631000      0.1460000      0.4948000
  1 1 1       2   -7   19 o    2.295000      0.4593000       2.609000 0.5675000       1.981000      0.7223000      0.6282000      0.9186000
  1 1 1       2   -7   20 o    8.166000      0.1861000       8.062000 0.2584000       8.271000      0.2680000     -0.2089000      0.3723000
  1 1 1       2   -7   21 o    8.737000      0.1920000       8.692000 0.2695000       8.781000      0.2735000     -0.8877000E-01  0.3840000
  1 1 1       2   -7   22 o    5.663000      0.2230000       5.413000 0.3151000       5.914000      0.3156000     -0.5014000      0.4460000
  1 1 1       2   -7   23 o    5.698000      0.2339000       5.611000 0.3262000       5.785000      0.3352000     -0.1741000      0.4677000
  1 1 1       2   -7   24 o    2.951000      0.5235000       2.402000 0.9132000       3.501000      0.5121000      -1.100000       1.047000
  1 1 1       2   -7   25 o    2.927000      0.4205000       2.841000 0.5987000       3.013000      0.5907000     -0.1720000      0.8411000
  1 1 1       2   -7   26 o    1.970000      0.4849000       1.672000 0.6598000       2.268000      0.7108000     -0.5956000      0.9698000
  1 1 1       2   -7   27 o    7.004000      0.2391000       6.383000 0.3399000       7.624000      0.3363000      -1.241000      0.4782000
  1 1 1       2   -7   28 o    1.468000      0.4606000       1.356000 0.6159000       1.579000      0.6850000     -0.2232000      0.9211000
  1 1 1       2   -7   29 o    4.530000      0.3534000       4.727000 0.4510000       4.332000      0.5442000      0.3948000      0.7068000
  1 1 1       2   -7   30 o    6.894000      0.2716000       7.026000 0.3639000       6.761000      0.4034000      0.2644000      0.5433000
  1 1 1       2   -7   31 o    2.602000      0.5507000       3.095000 0.7579000       2.108000      0.7992000      0.9872000       1.101000
  1 1 1       2   -7   32 o    10.07000      0.2619000       10.02000 0.3757000       10.11000      0.3649000     -0.9409000E-01  0.5237000
  1 1 1       2   -7   33 o    2.316000      0.5872000       2.016000 0.8021000       2.615000      0.8578000     -0.5989000       1.174000
  1 1 1       2   -7   34 o    3.118000      0.7366000       3.583000 1.101000       2.653000      0.9794000      0.9293000       1.473000
  1 1 1       2   -7   35 o    4.486000      0.6659000       3.413000 1.122000       5.558000      0.7174000      -2.145000       1.332000
  1 1 1       2   -7   36 o    2.174000      0.5690000       2.575000 0.8424000       1.774000      0.7651000      0.8012000       1.138000
  1 1 1       2   -7   37 o    2.304000      0.6572000       2.437000 0.9281000       2.170000      0.9308000      0.2663000       1.314000
  1 1 1       2   -6    0 o    5.576000      0.1443000       5.469000 0.1965000       5.683000      0.2114000     -0.2134000      0.2887000
  1 1 1       2   -6    1 o    11.03000      0.1916000       11.18000 0.2647000       10.88000      0.2771000      0.2966000      0.3832000
  1 1 1       2   -6    2 o    24.20000      0.4101000       24.19000 0.4837000       24.22000      0.6623000     -0.2479000E-01  0.8201000
  1 1 1       2   -6    3 o    7.012000      0.4053000       6.798000 0.3178000       7.225000      0.7456000     -0.4268000      0.8105000
  1 1 1       2   -6    4 o    10.18000      0.1878000       10.20000 0.2765000       10.17000      0.2543000      0.2670000E-01  0.3756000
  1 1 1       2   -6    5 o    18.30000      0.2559000       18.19000 0.3647000       18.41000      0.3591000     -0.2214000      0.5119000
  1 1 1       2   -6    6 o    6.765000      0.1169000       6.915000 0.1715000       6.616000      0.1589000      0.2993000      0.2338000
  1 1 1       2   -6    7 o   0.8596000      0.2291000       1.139000 0.3651000      0.5804000      0.2768000      0.5583000      0.4582000
  1 1 1       2   -6    8 o    4.560000      0.1162000       4.480000 0.1659000       4.640000      0.1627000     -0.1597000      0.2323000
  1 1 1       2   -6    9 o    17.90000      0.2469000       17.81000 0.3476000       17.99000      0.3508000     -0.1760000      0.4938000
  1 1 1       2   -6   10 o    13.86000      0.1985000       13.84000 0.2804000       13.88000      0.2811000     -0.4509000E-01  0.3971000
  1 1 1       2   -6   11 o    15.68000      0.3150000       15.68000 0.3150000                  ?              ?              ?              ?
  1 1 1       2   -6   12 o    6.992000      0.1427000       6.925000 0.2016000       7.058000      0.2019000     -0.1329000      0.2853000
  1 1 1       2   -6   13 o    12.31000      0.2656000                  ?       ?   12.31000      0.2656000                  ?              ?
  1 1 1       2   -6   14 o    15.38000      0.3193000       15.25000 0.4517000       15.51000      0.4514000     -0.2633000      0.6386000
  1 1 1       2   -6   15 o    5.747000      0.2527000       5.798000 0.3675000       5.696000      0.3468000      0.1022000      0.5053000
  1 1 1       2   -6   16 o    7.395000      0.1624000       7.017000 0.2295000       7.773000      0.2297000     -0.7565000      0.3247000
  1 1 1       2   -6   17 o    2.981000      0.3043000       3.459000 0.3579000       2.503000      0.4922000      0.9559000      0.6086000
  1 1 1       2   -6   18 o    9.417000      0.1800000       9.424000 0.2558000       9.409000      0.2532000      0.1486000E-01  0.3600000
  1 1 1       2   -6   19 o    1.845000      0.4731000       2.053000 0.6463000       1.637000      0.6911000      0.4158000      0.9462000
  1 1 1       2   -6   20 o    7.026000      0.2658000       7.336000 0.3372000       6.716000      0.4111000      0.6202000      0.5317000
  1 1 1       2   -6   21 o    1.722000      0.4352000       1.717000 0.6114000       1.726000      0.6196000     -0.8925000E-02  0.8705000
  1 1 1       2   -6   22 o    12.45000      0.2135000       12.38000 0.3022000       12.51000      0.3016000     -0.1313000      0.4270000
  1 1 1       2   -6   23 o    20.09000      0.2935000       20.22000 0.4181000       19.95000      0.4120000      0.2695000      0.5870000
  1 1 1       2   -6   24 o    13.62000      0.2291000       13.56000 0.3212000       13.68000      0.3267000     -0.1214000      0.4581000
  1 1 1       2   -6   25 o    6.128000      0.2319000       5.857000 0.3240000       6.399000      0.3320000     -0.5422000      0.4639000
  1 1 1       2   -6   26 o    9.426000      0.2172000       9.641000 0.3000000       9.211000      0.3143000      0.4292000      0.4345000
  1 1 1       2   -6   27 o    7.747000      0.2271000       7.693000 0.3113000       7.801000      0.3307000     -0.1076000      0.4542000
  1 1 1       2   -6   28 o    5.422000      0.2857000       5.427000 0.3969000       5.417000      0.4111000      0.9888000E-02  0.5714000
  1 1 1       2   -6   29 o    5.569000      0.3044000       5.791000 0.3973000       5.346000      0.4614000      0.4443000      0.6089000
  1 1 1       2   -6   30 o    5.092000      0.3341000       4.739000 0.4800000       5.445000      0.4650000     -0.7065000      0.6683000
  1 1 1       2   -6   31 o    5.637000      0.3266000       5.871000 0.4395000       5.403000      0.4833000      0.4678000      0.6532000
  1 1 1       2   -6   32 o    2.666000      0.5704000       2.180000 0.8125000       3.153000      0.8009000     -0.9735000       1.141000
  1 1 1       2   -6   33 o    8.134000      0.2830000       8.034000 0.3987000       8.234000      0.4018000     -0.1997000      0.5661000
  1 1 1       2   -6   34 o    3.124000      0.7468000       3.209000 1.110000       3.040000      0.9997000      0.1686000       1.494000
  1 1 1       2   -6   35 o    3.974000      0.6921000       3.993000 1.058000       3.955000      0.8927000      0.3771000E-01   1.384000
  1 1 1       2   -6   36 o    4.698000      0.4101000       4.593000 0.5864000       4.804000      0.5736000     -0.2111000      0.8203000
  1 1 1       2   -6   37 o    3.323000      0.5288000       2.999000 0.7842000       3.647000      0.7096000     -0.6481000       1.058000
  1 1 1       2   -5    0 o    23.96000      0.3950000       24.80000 0.4758000       23.12000      0.6306000       1.681000      0.7900000
  1 1 1       2   -5    1 o    9.736000      0.2143000       9.548000 0.2196000       9.923000      0.3680000     -0.3756000      0.4285000
  1 1 1       2   -5    2 o    9.526000      0.3038000       9.776000 0.2636000       9.277000      0.5473000      0.4987000      0.6075000
  1 1 1       2   -5    3 o    24.00000      0.4083000       24.42000 0.6638000       23.58000      0.4754000      0.8417000      0.8165000
  1 1 1       2   -5    4 o    23.37000      0.3928000       24.33000 0.6554000       22.41000      0.4332000       1.914000      0.7856000
  1 1 1       2   -5    5 o    15.84000      0.3108000       15.51000 0.4367000       16.17000      0.4423000     -0.6629000      0.6216000
  1 1 1       2   -5    6 o    13.62000      0.1880000       13.71000 0.2680000       13.53000      0.2639000      0.1795000      0.3761000
  1 1 1       2   -5    7 o    8.008000      0.1241000       7.997000 0.1763000       8.020000      0.1747000     -0.2337000E-01  0.2482000
  1 1 1       2   -5    8 o    8.919000      0.1376000       8.788000 0.1927000       9.051000      0.1967000     -0.2623000      0.2753000
  1 1 1       2   -5    9 o    23.07000      0.3132000       23.32000 0.4476000       22.82000      0.4383000      0.5082000      0.6265000
  1 1 1       2   -5   10 o    8.285000      0.1409000       8.267000 0.1990000       8.303000      0.1996000     -0.3619000E-01  0.2819000
  1 1 1       2   -5   11 o    15.88000      0.3172000       15.88000 0.3172000                  ?              ?              ?              ?
  1 1 1       2   -5   12 o    15.92000      0.2265000       15.67000 0.3161000       16.17000      0.3245000     -0.5007000      0.4530000
  1 1 1       2   -5   13 o    14.97000      0.3062000                  ?       ?   14.97000      0.3062000                  ?              ?
  1 1 1       2   -5   14 f    9.467000      0.1641000       9.421000 0.2312000       9.513000      0.2329000     -0.9154000E-01  0.3281000
  1 1 1       2   -5   15 o    4.857000      0.1778000       4.779000 0.2504000       4.935000      0.2525000     -0.1562000      0.3556000
  1 1 1       2   -5   16 o    13.38000      0.2926000       13.23000 0.4135000       13.52000      0.4140000     -0.2841000      0.5851000
  1 1 1       2   -5   17 o    13.88000      0.3048000       13.26000 0.4234000       14.50000      0.4385000      -1.243000      0.6095000
  1 1 1       2   -5   18 o    11.33000      0.1917000       11.26000 0.2694000       11.40000      0.2729000     -0.1408000      0.3835000
  1 1 1       2   -5   19 o    8.181000      0.1825000       8.142000 0.2583000       8.221000      0.2579000     -0.7908000E-01  0.3650000
  1 1 1       2   -5   20 o    6.497000      0.2648000       6.792000 0.3385000       6.202000      0.4074000      0.5896000      0.5296000
  1 1 1       2   -5   21 o    1.637000      0.4861000       1.575000 0.6444000       1.698000      0.7280000     -0.1232000      0.9722000
  1 1 1       2   -5   22 o    7.341000      0.2032000       7.301000 0.2860000       7.381000      0.2889000     -0.7961000E-01  0.4065000
  1 1 1       2   -5   23 o    5.151000      0.2466000       5.046000 0.3425000       5.257000      0.3549000     -0.2110000      0.4932000
  1 1 1       2   -5   24 o    8.817000      0.2078000       8.741000 0.2958000       8.893000      0.2920000     -0.1513000      0.4156000
  1 1 1       2   -5   25 o    8.152000      0.2114000       8.131000 0.2981000       8.174000      0.2998000     -0.4278000E-01  0.4228000
  1 1 1       2   -5   26 o    6.699000      0.2318000       6.574000 0.3250000       6.824000      0.3305000     -0.2505000      0.4636000
  1 1 1       2   -5   27 o    3.756000      0.3654000       3.898000 0.4895000       3.614000      0.5425000      0.2841000      0.7307000
  1 1 1       2   -5   28 o    5.085000      0.2954000       5.163000 0.3983000       5.008000      0.4363000      0.1544000      0.5907000
  1 1 1       2   -5   29 o    6.136000      0.2782000       6.211000 0.3870000       6.062000      0.3998000      0.1482000      0.5564000
  1 1 1       2   -5   30 o    3.305000      0.4856000       2.831000 0.7381000       3.779000      0.6312000     -0.9483000      0.9712000
  1 1 1       2   -5   31 o    8.563000      0.2574000       8.634000 0.3643000       8.492000      0.3638000      0.1418000      0.5148000
  1 1 1       2   -5   32 o    3.254000      0.5283000       3.116000 0.7368000       3.393000      0.7573000     -0.2766000       1.057000
  1 1 1       2   -5   33 o    2.703000      0.5989000       2.581000 0.8291000       2.825000      0.8645000     -0.2439000       1.198000
  1 1 1       2   -5   34 o    3.608000      0.5272000       3.668000 0.7142000       3.549000      0.7756000      0.1190000       1.054000
  1 1 1       2   -5   36 o    2.603000      0.5872000       2.967000 0.8273000       2.239000      0.8334000      0.7285000       1.174000
  1 1 1       2   -5   37 o    2.047000      0.5581000       2.313000 0.8182000       1.782000      0.7593000      0.5314000       1.116000
  1 1 1       2   -4    0 o    30.46000      0.4088000       30.12000 0.5715000       30.81000      0.5847000     -0.6953000      0.8176000
  1 1 1       2   -4    1 o    11.66000      0.1707000       11.61000 0.2375000       11.70000      0.2453000     -0.9131000E-01  0.3414000
  1 1 1       2   -4    2 o    18.36000      0.2616000       18.00000 0.3579000       18.71000      0.3816000     -0.7084000      0.5232000
  1 1 1       2   -4    3 o    22.21000      0.3158000       21.96000 0.4457000       22.46000      0.4476000     -0.4930000      0.6317000
  1 1 1       2   -4    4 o    15.44000      0.2180000       15.27000 0.3124000       15.61000      0.3042000     -0.3385000      0.4361000
  1 1 1       2   -4    5 o    5.916000      0.1004000       6.027000 0.1454000       5.804000      0.1385000      0.2226000      0.2008000
  1 1 1       2   -4    6 o    11.74000      0.1639000       11.74000 0.2321000       11.74000      0.2313000      0.1738000E-02  0.3277000
  1 1 1       2   -4    7 o    11.60000      0.1644000       11.69000 0.2346000       11.51000      0.2303000      0.1826000      0.3288000
  1 1 1       2   -4    8 o    9.008000      0.1386000       8.788000 0.1938000       9.229000      0.1980000     -0.4412000      0.2771000
  1 1 1       2   -4    9 o    10.15000      0.1527000       10.23000 0.2168000       10.08000      0.2151000      0.1499000      0.3054000
  1 1 1       2   -4   10 o    18.01000      0.2490000       18.10000 0.3538000       17.92000      0.3505000      0.1807000      0.4980000
  1 1 1       2   -4   11 o    14.56000      0.2081000       14.57000 0.2946000       14.55000      0.2940000      0.2417000E-01  0.4162000
  1 1 1       2   -4   12 o    16.65000      0.2350000       16.76000 0.3342000       16.55000      0.3306000      0.2068000      0.4701000
  1 1 1       2   -4   13 o    1.358000      0.3364000       1.564000 0.4827000       1.152000      0.4688000      0.4120000      0.6728000
  1 1 1       2   -4   14 o    6.781000      0.1540000       6.802000 0.2160000       6.759000      0.2194000      0.4291000E-01  0.3079000
  1 1 1       2   -4   15 o    7.987000      0.1569000       7.993000 0.2223000       7.982000      0.2214000      0.1081000E-01  0.3137000
  1 1 1       2   -4   16 o    9.926000      0.1739000       9.925000 0.2453000       9.928000      0.2466000     -0.2598000E-02  0.3478000
  1 1 1       2   -4   17 o    6.688000      0.2459000       6.810000 0.3624000       6.565000      0.3325000      0.2452000      0.4918000
  1 1 1       2   -4   18 o    5.464000      0.2764000       5.309000 0.4084000       5.619000      0.3726000     -0.3100000      0.5528000
  1 1 1       2   -4   19 o    1.734000      0.4134000       1.816000 0.5741000       1.652000      0.5949000      0.1641000      0.8267000
  1 1 1       2   -4   20 o    8.996000      0.2184000       9.243000 0.3516000       8.750000      0.2592000      0.4926000      0.4368000
  1 1 1       2   -4   21 o    13.61000      0.3058000       13.53000 0.4267000       13.70000      0.4381000     -0.1722000      0.6116000
  1 1 1       2   -4   22 o    12.20000      0.2101000       11.93000 0.2937000       12.47000      0.3005000     -0.5410000      0.4202000
  1 1 1       2   -4   23 o    8.724000      0.2010000       8.820000 0.2830000       8.629000      0.2856000      0.1909000      0.4021000
  1 1 1       2   -4   24 o    4.711000      0.2698000       4.287000 0.3951000       5.135000      0.3673000     -0.8474000      0.5395000
  1 1 1       2   -4   25 o    7.325000      0.2170000       7.341000 0.3007000       7.310000      0.3130000      0.3072000E-01  0.4340000
  1 1 1       2   -4   26 f    5.378000      0.2629000       5.484000 0.3611000       5.273000      0.3823000      0.2112000      0.5259000
  1 1 1       2   -4   27 o    7.349000      0.2331000       7.753000 0.3153000       6.945000      0.3433000      0.8077000      0.4661000
  1 1 1       2   -4   28 o    3.094000      0.4640000       2.956000 0.6519000       3.231000      0.6604000     -0.2750000      0.9280000
  1 1 1       2   -4   29 f    5.516000      0.2918000       5.490000 0.3975000       5.542000      0.4272000     -0.5204000E-01  0.5836000
  1 1 1       2   -4   30 o    1.908000      0.5302000       1.930000 0.7488000       1.886000      0.7508000      0.4355000E-01   1.060000
  1 1 1       2   -4   31 o    6.269000      0.2972000       6.269000 0.4098000       6.269000      0.4305000     -0.2031000E-03  0.5944000
  1 1 1       2   -4   32 o    7.531000      0.2750000       7.171000 0.3897000       7.890000      0.3880000     -0.7194000      0.5499000
  1 1 1       2   -4   33 o    5.282000      0.3599000       5.045000 0.5201000       5.519000      0.4975000     -0.4743000      0.7197000
  1 1 1       2   -4   34 f    7.853000      0.2827000       7.721000 0.3989000       7.984000      0.4006000     -0.2623000      0.5653000
  1 1 1       2   -4   35 o    4.549000      0.6097000       4.671000 0.9111000       4.427000      0.8106000      0.2433000       1.219000
  1 1 1       2   -4   36 o    2.372000      0.5863000       2.284000 0.8283000       2.460000      0.8298000     -0.1759000       1.173000
  1 1 1       2   -4   37 o    2.610000      0.5742000       2.911000 0.8013000       2.309000      0.8226000      0.6016000       1.148000
  1 1 1       2   -3    0 o    28.24000      0.3788000       27.89000 0.5290000       28.59000      0.5422000     -0.6960000      0.7575000
  1 1 1       2   -3    1 o    17.67000      0.2931000       17.50000 0.4747000       17.85000      0.3439000     -0.3455000      0.5862000
  1 1 1       2   -3    2 o    24.46000      0.3333000       23.78000 0.4559000       25.14000      0.4862000      -1.357000      0.6666000
  1 1 1       2   -3    3 o    20.83000      0.4187000       21.57000 0.6339000       20.08000      0.5472000       1.488000      0.8374000
  1 1 1       2   -3    4 o    11.45000      0.1621000       11.60000 0.2342000       11.30000      0.2240000      0.2998000      0.3241000
  1 1 1       2   -3    5 o    24.13000      0.3234000       23.96000 0.4544000       24.29000      0.4603000     -0.3288000      0.6469000
  1 1 1       2   -3    6 o    7.130000      0.1110000       7.058000 0.1561000       7.202000      0.1579000     -0.1442000      0.2221000
  1 1 1       2   -3    7 o    3.758000      0.1062000       3.797000 0.1486000       3.718000      0.1517000      0.7899000E-01  0.2123000
  1 1 1       2   -3    8 o    6.223000      0.1140000       6.269000 0.1622000       6.177000      0.1602000      0.9182000E-01  0.2280000
  1 1 1       2   -3    9 o    5.229000      0.1168000       5.235000 0.1624000       5.223000      0.1679000      0.1174000E-01  0.2336000
  1 1 1       2   -3   10 o    22.18000      0.3021000       22.12000 0.4260000       22.23000      0.4283000     -0.1084000      0.6041000
  1 1 1       2   -3   11 o    7.792000      0.1377000       7.661000 0.1916000       7.923000      0.1977000     -0.2618000      0.2753000
  1 1 1       2   -3   12 o    4.751000      0.1448000       4.666000 0.2031000       4.836000      0.2063000     -0.1708000      0.2895000
  1 1 1       2   -3   13 o    9.257000      0.1565000       9.402000 0.2228000       9.111000      0.2200000      0.2909000      0.3131000
  1 1 1       2   -3   14 o    7.313000      0.1506000       7.402000 0.2127000       7.224000      0.2131000      0.1775000      0.3011000
  1 1 1       2   -3   15 o    10.05000      0.1702000       9.963000 0.2398000       10.13000      0.2415000     -0.1666000      0.3403000
  1 1 1       2   -3   16 o    3.155000      0.2383000       3.212000 0.3251000       3.097000      0.3485000      0.1158000      0.4766000
  1 1 1       2   -3   17 o    4.245000      0.2079000       4.415000 0.2771000       4.075000      0.3101000      0.3401000      0.4159000
  1 1 1       2   -3   18 o    4.150000      0.3201000       3.918000 0.4879000       4.382000      0.4144000     -0.4634000      0.6401000
  1 1 1       2   -3   19 o    5.177000      0.2019000       5.158000 0.2808000       5.196000      0.2902000     -0.3883000E-01  0.4038000
  1 1 1       2   -3   20 o    10.52000      0.1917000       10.58000 0.2705000       10.47000      0.2717000      0.1147000      0.3834000
  1 1 1       2   -3   21 o    10.00000      0.2686000       9.763000 0.3646000       10.24000      0.3945000     -0.4763000      0.5371000
  1 1 1       2   -3   22 o    2.470000      0.5149000       2.480000 0.6798000       2.460000      0.7736000      0.2028000E-01   1.030000
  1 1 1       2   -3   23 o    9.766000      0.2015000       9.921000 0.2863000       9.612000      0.2835000      0.3092000      0.4029000
  1 1 1       2   -3   24 o    6.648000      0.2203000       6.682000 0.3102000       6.614000      0.3129000      0.6781000E-01  0.4406000
  1 1 1       2   -3   25 o    13.84000      0.2314000       13.83000 0.3245000       13.84000      0.3300000     -0.4019000E-02  0.4628000
  1 1 1       2   -3   26 o    8.152000      0.2185000       8.136000 0.3062000       8.169000      0.3119000     -0.3373000E-01  0.4371000
  1 1 1       2   -3   27 o    3.543000      0.3853000       3.734000 0.5088000       3.351000      0.5787000      0.3828000      0.7706000
  1 1 1       2   -3   28 o    8.993000      0.2249000       8.777000 0.3140000       9.210000      0.3222000     -0.4324000      0.4499000
  1 1 1       2   -3   29 o    8.387000      0.2337000       8.361000 0.3273000       8.414000      0.3336000     -0.5380000E-01  0.4674000
  1 1 1       2   -3   30 o    3.769000      0.4112000       3.628000 0.5928000       3.910000      0.5699000     -0.2819000      0.8223000
  1 1 1       2   -3   31 o    6.982000      0.2701000       7.104000 0.3722000       6.859000      0.3915000      0.2455000      0.5402000
  1 1 1       2   -3   32 o    4.421000      0.4130000       4.195000 0.6066000       4.646000      0.5606000     -0.4510000      0.8259000
  1 1 1       2   -3   33 o    8.497000      0.2713000       7.884000 0.4008000       9.109000      0.3657000      -1.225000      0.5426000
  1 1 1       2   -3   34 o    4.882000      0.4054000       4.705000 0.5905000       5.059000      0.5555000     -0.3543000      0.8107000
  1 1 1       2   -3   35 o    4.247000      0.6216000       3.590000 1.022000       4.903000      0.7079000      -1.313000       1.243000
  1 1 1       2   -3   36 o    3.299000      0.5236000       3.808000 0.6524000       2.790000      0.8192000       1.018000       1.047000
  1 1 1       2   -3   37 o    2.282000      0.5792000       2.210000 0.8188000       2.355000      0.8195000     -0.1442000       1.158000
  1 1 1       2   -2    0 o    8.753000      0.1259000       8.789000 0.1788000       8.718000      0.1773000      0.7104000E-01  0.2518000
  1 1 1       2   -2    1 o    16.92000      0.2284000       16.96000 0.3238000       16.87000      0.3223000      0.9028000E-01  0.4569000
  1 1 1       2   -2    2 o    13.47000      0.2294000       12.95000 0.2544000       14.00000      0.3818000      -1.051000      0.4588000
  1 1 1       2   -2    3 o    10.84000      0.1689000       11.21000 0.2507000       10.47000      0.2264000      0.7341000      0.3378000
  1 1 1       2   -2    4 o    16.68000      0.2248000       16.68000 0.3182000       16.68000      0.3177000     -0.3317000E-02  0.4496000
  1 1 1       2   -2    5 o    20.24000      0.2723000       20.28000 0.3862000       20.20000      0.3839000      0.7807000E-01  0.5446000
  1 1 1       2   -2    6 o    10.11000      0.1436000       10.09000 0.2032000       10.13000      0.2030000     -0.4128000E-01  0.2872000
  1 1 1       2   -2    7 o    12.89000      0.1794000       12.63000 0.2487000       13.15000      0.2586000     -0.5115000      0.3587000
  1 1 1       2   -2    8 o    5.139000      0.1067000       5.399000 0.1516000       4.880000      0.1501000      0.5191000      0.2133000
  1 1 1       2   -2    9 o    12.96000      0.1839000       13.11000 0.2625000       12.82000      0.2576000      0.2852000      0.3678000
  1 1 1       2   -2   10 o    16.95000      0.2345000       17.09000 0.3340000       16.81000      0.3293000      0.2789000      0.4691000
  1 1 1       2   -2   11 o    5.971000      0.1264000       5.947000 0.1774000       5.995000      0.1802000     -0.4806000E-01  0.2529000
  1 1 1       2   -2   12 o    6.626000      0.1566000       6.814000 0.1898000       6.439000      0.2490000      0.3748000      0.3131000
  1 1 1       2   -2   13 o    11.02000      0.1711000       11.05000 0.2423000       10.99000      0.2415000      0.5723000E-01  0.3421000
  1 1 1       2   -2   14 o    10.56000      0.2408000                  ?       ?   10.56000      0.2408000                  ?              ?
  1 1 1       2   -2   15 o    8.537000      0.1566000       8.518000 0.2217000       8.557000      0.2213000     -0.3874000E-01  0.3133000
  1 1 1       2   -2   16 o    6.622000      0.1581000       6.547000 0.2215000       6.696000      0.2257000     -0.1486000      0.3163000
  1 1 1       2   -2   17 o    7.499000      0.1638000       7.522000 0.2306000       7.476000      0.2328000      0.4525000E-01  0.3277000
  1 1 1       2   -2   18 o    4.411000      0.2948000       4.380000 0.4386000       4.441000      0.3939000     -0.6090000E-01  0.5896000
  1 1 1       2   -2   19 o    3.902000      0.2141000       3.815000 0.3029000       3.990000      0.3027000     -0.1754000      0.4282000
  1 1 1       2   -2   20 o    4.793000      0.2169000       4.896000 0.2999000       4.690000      0.3133000      0.2061000      0.4337000
  1 1 1       2   -2   21 o    6.761000      0.2757000       6.858000 0.3726000       6.664000      0.4065000      0.1942000      0.5515000
  1 1 1       2   -2   22 o    10.60000      0.2807000       11.01000 0.3918000       10.20000      0.4020000      0.8116000      0.5613000
  1 1 1       2   -2   23 o    7.206000      0.2047000       6.967000 0.2875000       7.446000      0.2914000     -0.4782000      0.4094000
  1 1 1       2   -2   24 o    5.947000      0.2285000       5.792000 0.3255000       6.102000      0.3208000     -0.3105000      0.4570000
  1 1 1       2   -2   25 o    5.828000      0.2375000       6.123000 0.3284000       5.533000      0.3433000      0.5901000      0.4751000
  1 1 1       2   -2   26 o    7.574000      0.2193000       7.616000 0.3014000       7.532000      0.3186000      0.8457000E-01  0.4386000
  1 1 1       2   -2   27 o    9.224000      0.2151000       9.194000 0.2984000       9.253000      0.3100000     -0.5921000E-01  0.4302000
  1 1 1       2   -2   28 o    5.522000      0.2723000       5.253000 0.3939000       5.790000      0.3760000     -0.5372000      0.5446000
  1 1 1       2   -2   29 o    7.347000      0.2406000       7.179000 0.3346000       7.515000      0.3458000     -0.3365000      0.4812000
  1 1 1       2   -2   30 o    3.807000      0.4076000       3.751000 0.5881000       3.863000      0.5647000     -0.1120000      0.8153000
  1 1 1       2   -2   31 o    1.963000      0.5323000       1.968000 0.7536000       1.959000      0.7520000      0.8309000E-02   1.065000
  1 1 1       2   -2   32 o    2.181000      0.5584000       1.868000 0.7650000       2.494000      0.8137000     -0.6261000       1.117000
  1 1 1       2   -2   33 o    8.303000      0.2727000       8.497000 0.3817000       8.110000      0.3896000      0.3877000      0.5454000
  1 1 1       2   -2   34 o    3.919000      0.4726000       4.541000 0.5717000       3.297000      0.7527000       1.244000      0.9452000
  1 1 1       2   -2   36 o    2.921000      0.5620000       2.428000 0.8403000       3.414000      0.7466000     -0.9864000       1.124000
  1 1 1       2   -2   37 o    3.916000      0.4589000       3.747000 0.6939000       4.086000      0.6006000     -0.3389000      0.9177000
  1 1 1       2   -2   38 o    2.580000      0.6792000       2.529000 0.9539000       2.630000      0.9671000     -0.1011000       1.358000
  1 1 1       2   -1    0 o    12.47000      0.2115000       12.68000 0.3490000       12.27000      0.2388000      0.4119000      0.4229000
  1 1 1       2   -1    1 o    33.68000      0.5519000       33.78000 0.9034000       33.58000      0.6344000      0.1974000       1.104000
  1 1 1       2   -1    2 o    6.286000      0.1104000       5.982000 0.1757000       6.590000      0.1337000     -0.6080000      0.2208000
  1 1 1       2   -1    3 o    14.01000      0.2684000       14.11000 0.3807000       13.92000      0.3783000      0.1891000      0.5367000
  1 1 1       2   -1    4 o    18.51000      0.3023000       18.11000 0.4867000       18.92000      0.3588000     -0.8138000      0.6047000
  1 1 1       2   -1    5 o    5.190000      0.1061000       5.169000 0.1746000       5.211000      0.1205000     -0.4158000E-01  0.2121000
  1 1 1       2   -1    6 o    5.219000      0.1122000       5.096000 0.1823000       5.343000      0.1307000     -0.2469000      0.2243000
  1 1 1       2   -1    7 o    24.75000      0.3330000       24.73000 0.4709000       24.76000      0.4709000     -0.2750000E-01  0.6660000
  1 1 1       2   -1    8 o    12.56000      0.1763000       12.54000 0.2491000       12.57000      0.2496000     -0.2939000E-01  0.3526000
  1 1 1       2   -1    9 o    11.15000      0.1607000       11.17000 0.2271000       11.13000      0.2274000      0.3321000E-01  0.3214000
  1 1 1       2   -1   10 o    14.57000      0.2042000       14.55000 0.2883000       14.58000      0.2894000     -0.3615000E-01  0.4085000
  1 1 1       2   -1   11 f    12.01000      0.1752000       12.00000 0.2471000       12.03000      0.2484000     -0.2783000E-01  0.3504000
  1 1 1       2   -1   12 o    10.22000      0.2244000       10.22000 0.2244000                  ?              ?              ?              ?
  1 1 1       2   -1   13 o    6.238000      0.1732000       6.051000 0.2844000       6.425000      0.1979000     -0.3738000      0.3465000
  1 1 1       2   -1   14 o    2.705000      0.3214000                  ?       ?   2.705000      0.3214000                  ?              ?
  1 1 1       2   -1   15 o    7.077000      0.1498000       7.331000 0.2131000       6.824000      0.2105000      0.5076000      0.2995000
  1 1 1       2   -1   16 o    1.472000      0.3313000       1.945000 0.4865000      0.9989000      0.4499000      0.9456000      0.6627000
  1 1 1       2   -1   17 o    4.286000      0.1941000       4.274000 0.2725000       4.299000      0.2764000     -0.2526000E-01  0.3882000
  1 1 1       2   -1   18 o    9.506000      0.2445000       9.201000 0.3482000       9.811000      0.3433000     -0.6103000      0.4890000
  1 1 1       2   -1   19 o    6.297000      0.2446000       6.238000 0.3559000       6.356000      0.3357000     -0.1178000      0.4892000
  1 1 1       2   -1   20 o    3.538000      0.2682000       3.560000 0.3882000       3.515000      0.3702000      0.4530000E-01  0.5364000
  1 1 1       2   -1   21 o    8.293000      0.2649000       8.301000 0.3646000       8.285000      0.3843000      0.1596000E-01  0.5297000
  1 1 1       2   -1   22 o    15.84000      0.3431000       15.70000 0.4780000       15.99000      0.4925000     -0.2899000      0.6863000
  1 1 1       2   -1   23 o    3.271000      0.3415000       3.087000 0.5068000       3.454000      0.4578000     -0.3673000      0.6830000
  1 1 1       2   -1   24 o    7.239000      0.2109000       6.898000 0.3062000       7.580000      0.2901000     -0.6815000      0.4218000
  1 1 1       2   -1   25 o    3.456000      0.3484000       3.338000 0.4999000       3.573000      0.4853000     -0.2352000      0.6967000
  1 1 1       2   -1   26 o    10.32000      0.2123000       10.23000 0.2979000       10.40000      0.3025000     -0.1683000      0.4245000
  1 1 1       2   -1   27 o    10.25000      0.2145000       10.08000 0.2998000       10.42000      0.3067000     -0.3484000      0.4289000
  1 1 1       2   -1   28 o    5.047000      0.2800000       5.244000 0.3832000       4.850000      0.4084000      0.3932000      0.5600000
  1 1 1       2   -1   29 o    3.390000      0.4168000       3.207000 0.6146000       3.574000      0.5630000     -0.3662000      0.8335000
  1 1 1       2   -1   30 o    3.317000      0.4516000       3.333000 0.6374000       3.301000      0.6399000      0.3262000E-01  0.9032000
  1 1 1       2   -1   31 o    5.310000      0.3148000       5.426000 0.4408000       5.194000      0.4495000      0.2320000      0.6295000
  1 1 1       2   -1   32 o    2.943000      0.5301000       2.684000 0.7831000       3.203000      0.7148000     -0.5196000       1.060000
  1 1 1       2   -1   33 o    9.662000      0.2562000       9.633000 0.3627000       9.692000      0.3619000     -0.5869000E-01  0.5123000
  1 1 1       2   -1   34 o    3.637000      0.4817000       3.548000 0.6951000       3.727000      0.6671000     -0.1795000      0.9635000
  1 1 1       2   -1   35 o    2.729000      0.6823000       2.815000 1.006000       2.642000      0.9218000      0.1727000       1.365000
  1 1 1       2   -1   36 o    2.383000      0.5831000       2.332000 0.8216000       2.434000      0.8276000     -0.1014000       1.166000
  1 1 1       2   -1   37 o    3.704000      0.4832000       3.520000 0.7375000       3.888000      0.6243000     -0.3676000      0.9663000
  1 1 1       2   -1   38 o    1.706000      0.5618000       1.564000 0.7431000       1.848000      0.8428000     -0.2834000       1.124000
  1 1 1       2    0    2 o    7.490000      0.2057000                  ?       ?   7.490000      0.2057000                  ?              ?
  1 1 1       2    0    4 o    40.63000       1.085000                  ?       ?   40.63000       1.085000                  ?              ?
  1 1 1       2    0    6 o    12.71000      0.2142000       12.82000 0.3519000       12.60000      0.2444000      0.2216000      0.4284000
  1 1 1       2    0    7 o    24.39000      0.4026000       24.51000 0.6597000       24.28000      0.4618000      0.2314000      0.8052000
  1 1 1       2    0    8 o    24.85000      0.3347000       24.72000 0.4709000       24.98000      0.4758000     -0.2598000      0.6694000
  1 1 1       2    0    9 o    15.99000      0.2203000       15.97000 0.3113000       16.02000      0.3118000     -0.4502000E-01  0.4406000
  1 1 1       2    0   10 o    5.753000      0.1152000       5.653000 0.1609000       5.852000      0.1649000     -0.1984000      0.2304000
  1 1 1       2    0   11 o    18.55000      0.2555000       18.55000 0.3610000       18.56000      0.3617000     -0.1655000E-01  0.5111000
  1 1 1       2    0   12 o    7.846000      0.1668000       7.657000 0.1928000       8.035000      0.2722000     -0.3772000      0.3335000
  1 1 1       2    0   13 o    1.504000      0.2941000       1.859000 0.3936000       1.150000      0.4371000      0.7087000      0.5882000
  1 1 1       2    0   14 o    14.69000      0.2118000       14.24000 0.2898000       15.13000      0.3088000     -0.8836000      0.4235000
  1 1 1       2    0   15 o    10.81000      0.1734000       10.76000 0.2442000       10.87000      0.2461000     -0.1111000      0.3467000
  1 1 1       2    0   16 o    6.775000      0.1553000       7.163000 0.2182000       6.387000      0.2209000      0.7761000      0.3105000
  1 1 1       2    0   17 o    3.867000      0.2004000       3.786000 0.2854000       3.949000      0.2815000     -0.1628000      0.4009000
  1 1 1       2    0   18 o    2.189000      0.4486000       2.051000 0.6459000       2.327000      0.6227000     -0.2759000      0.8972000
  1 1 1       2    0   19 o    11.03000      0.1884000       10.87000 0.2642000       11.20000      0.2688000     -0.3358000      0.3769000
  1 1 1       2    0   20 o    3.845000      0.2445000       3.967000 0.3428000       3.724000      0.3488000      0.2429000      0.4891000
  1 1 1       2    0   21 o    8.556000      0.2630000       8.592000 0.3649000       8.520000      0.3789000      0.7190000E-01  0.5260000
  1 1 1       2    0   22 o    15.58000      0.3390000       16.32000 0.4914000       14.85000      0.4670000       1.469000      0.6779000
  1 1 1       2    0   23 o    5.232000      0.2324000       5.397000 0.3280000       5.068000      0.3294000      0.3294000      0.4648000
  1 1 1       2    0   24 f    9.476000      0.2011000       9.568000 0.2877000       9.383000      0.2810000      0.1849000      0.4022000
  1 1 1       2    0   25 o    9.698000      0.2037000       9.452000 0.2858000       9.944000      0.2905000     -0.4915000      0.4075000
  1 1 1       2    0   26 o    18.03000      0.2722000       18.04000 0.3829000       18.02000      0.3869000      0.1564000E-01  0.5443000
  1 1 1       2    0   27 o    10.76000      0.2144000       10.68000 0.2987000       10.84000      0.3078000     -0.1621000      0.4289000
  1 1 1       2    0   28 o    6.322000      0.2354000       6.376000 0.3275000       6.268000      0.3382000      0.1083000      0.4708000
  1 1 1       2    0   29 o    8.925000      0.2234000       8.686000 0.3155000       9.163000      0.3162000     -0.4771000      0.4467000
  1 1 1       2    0   30 o    1.758000      0.4939000       1.461000 0.6547000       2.055000      0.7397000     -0.5944000      0.9878000
  1 1 1       2    0   31 o    7.806000      0.2469000       7.658000 0.3554000       7.954000      0.3428000     -0.2960000      0.4938000
  1 1 1       2    0   32 o    8.756000      0.2512000       8.927000 0.3618000       8.586000      0.3486000      0.3410000      0.5024000
  1 1 1       2    0   33 o    6.080000      0.4295000       5.436000 0.7496000       6.724000      0.4194000      -1.288000      0.8590000
  1 1 1       2    0   34 o    5.630000      0.3941000       6.195000 0.4463000       5.064000      0.6498000       1.131000      0.7883000
  1 1 1       2    0   35 o    8.165000      0.3789000       8.285000 0.5469000       8.046000      0.5244000      0.2392000      0.7577000
  1 1 1       2    0   36 o    2.402000      0.5816000       2.396000 0.8333000       2.408000      0.8116000     -0.1175000E-01   1.163000
  1 1 1       2    0   37 o    3.562000      0.5078000       4.240000 0.6234000       2.884000      0.8019000       1.357000       1.016000
  1 1 1       2    0   38 o    1.709000      0.5648000       1.719000 0.7971000       1.699000      0.8003000      0.1945000E-01   1.130000
  1 1 1       2    1    2 o    29.55000      0.7890000                  ?       ?   29.55000      0.7890000                  ?              ?
  1 1 1       2    1    3 o    19.35000      0.5177000                  ?       ?   19.35000      0.5177000                  ?              ?
  1 1 1       2    1    4 o    31.32000      0.8369000                  ?       ?   31.32000      0.8369000                  ?              ?
  1 1 1       2    1    5 o    4.313000      0.1074000       4.231000 0.1478000       4.396000      0.1560000     -0.1655000      0.2149000
  1 1 1       2    1    6 o    11.15000      0.1902000       11.30000 0.3134000       10.99000      0.2157000      0.3170000      0.3804000
  1 1 1       2    1    7 o    3.572000      0.8798000E-01   3.529000 0.1198000       3.616000      0.1289000     -0.8765000E-01  0.1760000
  1 1 1       2    1    8 o    10.82000      0.1543000       10.82000 0.2179000       10.81000      0.2184000      0.3663000E-02  0.3085000
  1 1 1       2    1    9 o    9.851000      0.1453000       9.882000 0.2062000       9.820000      0.2049000      0.6157000E-01  0.2907000
  1 1 1       2    1   10 o    14.54000      0.2037000       14.61000 0.2893000       14.47000      0.2870000      0.1368000      0.4075000
  1 1 1       2    1   11 o    20.82000      0.2847000       20.81000 0.4023000       20.83000      0.4029000     -0.1495000E-01  0.5694000
  1 1 1       2    1   12 o    6.814000      0.1302000       7.038000 0.1840000       6.589000      0.1843000      0.4485000      0.2604000
  1 1 1       2    1   13 o    12.18000      0.1818000       12.28000 0.2583000       12.07000      0.2559000      0.2138000      0.3636000
  1 1 1       2    1   14 o    10.25000      0.1644000       10.39000 0.2335000       10.12000      0.2316000      0.2697000      0.3289000
  1 1 1       2    1   15 o    10.09000      0.1667000       10.25000 0.2362000       9.939000      0.2354000      0.3072000      0.3335000
  1 1 1       2    1   16 o    8.144000      0.1584000       8.460000 0.2268000       7.829000      0.2212000      0.6308000      0.3168000
  1 1 1       2    1   17 o    10.65000      0.1788000       10.61000 0.2527000       10.70000      0.2530000     -0.8958000E-01  0.3576000
  1 1 1       2    1   18 o    7.318000      0.2285000       7.477000 0.3303000       7.159000      0.3160000      0.3184000      0.4571000
  1 1 1       2    1   19 o    4.451000      0.2005000       4.322000 0.2923000       4.580000      0.2744000     -0.2585000      0.4010000
  1 1 1       2    1   20 o    3.845000      0.2446000       3.694000 0.3590000       3.996000      0.3324000     -0.3025000      0.4893000
  1 1 1       2    1   21 o    11.11000      0.2804000       11.18000 0.3957000       11.05000      0.3974000      0.1305000      0.5608000
  1 1 1       2    1   22 o    3.580000      0.2789000       3.689000 0.3908000       3.472000      0.3981000      0.2179000      0.5579000
  1 1 1       2    1   23 o    11.11000      0.2026000       11.18000 0.2880000       11.04000      0.2851000      0.1459000      0.4052000
  1 1 1       2    1   24 o    7.351000      0.2024000       7.445000 0.2895000       7.257000      0.2828000      0.1881000      0.4047000
  1 1 1       2    1   25 o    8.754000      0.2023000       9.121000 0.2837000       8.388000      0.2884000      0.7324000      0.4045000
  1 1 1       2    1   26 o    14.98000      0.2405000       15.02000 0.3408000       14.94000      0.3394000      0.8086000E-01  0.4810000
  1 1 1       2    1   27 o    5.992000      0.2363000       6.112000 0.3311000       5.872000      0.3372000      0.2400000      0.4726000
  1 1 1       2    1   28 o    9.208000      0.2125000       9.077000 0.3027000       9.340000      0.2983000     -0.2632000      0.4250000
  1 1 1       2    1   29 o    11.85000      0.2279000       11.99000 0.3223000       11.72000      0.3222000      0.2607000      0.4558000
  1 1 1       2    1   30 o    7.174000      0.2454000       7.070000 0.3517000       7.279000      0.3422000     -0.2091000      0.4907000
  1 1 1       2    1   31 o    7.851000      0.2422000       7.602000 0.3471000       8.100000      0.3379000     -0.4983000      0.4844000
  1 1 1       2    1   32 o    10.89000      0.2421000       10.83000 0.3425000       10.94000      0.3421000     -0.1138000      0.4841000
  1 1 1       2    1   33 o    3.283000      0.5064000       3.353000 0.7233000       3.212000      0.7090000      0.1414000       1.013000
  1 1 1       2    1   34 o    8.411000      0.3559000       8.987000 0.5273000       7.835000      0.4780000       1.153000      0.7118000
  1 1 1       2    1   35 o    8.379000      0.3758000       8.171000 0.5666000       8.588000      0.4938000     -0.4163000      0.7516000
  1 1 1       2    1   36 o    1.705000      0.5217000       1.746000 0.7539000       1.664000      0.7214000      0.8192000E-01   1.043000
  1 1 1       2    1   37 o    3.282000      0.6787000       4.040000 0.9344000       2.525000      0.9845000       1.515000       1.357000
  1 1 1       2    1   38 o    3.032000      0.7079000       3.141000 0.9937000       2.923000       1.009000      0.2184000       1.416000
  1 1 1       2    2    1 o    22.97000      0.3770000       22.95000 0.6157000       22.99000      0.4353000     -0.3123000E-01  0.7540000
  1 1 1       2    2    2 o    24.13000      0.3944000       24.00000 0.6419000       24.27000      0.4584000     -0.2726000      0.7888000
  1 1 1       2    2    3 o    8.000000      0.1770000                  ?       ?   8.000000      0.1770000                  ?              ?
  1 1 1       2    2    4 o    16.18000      0.2682000       16.40000 0.4420000       15.97000      0.3039000      0.4220000      0.5364000
  1 1 1       2    2    5 o    18.84000      0.3123000       19.09000 0.5142000       18.59000      0.3545000      0.4952000      0.6245000
  1 1 1       2    2    6 o    22.09000      0.2975000       22.30000 0.4248000       21.87000      0.4167000      0.4329000      0.5951000
  1 1 1       2    2    7 o    8.467000      0.1271000       8.525000 0.1800000       8.410000      0.1795000      0.1152000      0.2542000
  1 1 1       2    2    8 o    7.087000      0.1422000       7.283000 0.2335000       6.891000      0.1622000      0.3924000      0.2843000
  1 1 1       2    2    9 o    15.04000      0.2095000       15.02000 0.2954000       15.06000      0.2972000     -0.3871000E-01  0.4190000
  1 1 1       2    2   10 o    12.16000      0.1756000       12.48000 0.2525000       11.84000      0.2441000      0.6375000      0.3512000
  1 1 1       2    2   11 o    36.75000      0.4940000       36.85000 0.6999000       36.64000      0.6973000      0.2110000      0.9879000
  1 1 1       2    2   12 o    14.73000      0.2100000       14.70000 0.2955000       14.76000      0.2986000     -0.5991000E-01  0.4201000
  1 1 1       2    2   13 o    4.554000      0.1426000       4.471000 0.1999000       4.637000      0.2033000     -0.1656000      0.2851000
  1 1 1       2    2   14 f    5.516000      0.1432000       5.808000 0.1981000       5.224000      0.2069000      0.5842000      0.2864000
  1 1 1       2    2   15 o    5.901000      0.1487000       5.867000 0.2110000       5.935000      0.2097000     -0.6743000E-01  0.2975000
  1 1 1       2    2   16 o    8.966000      0.1624000       8.942000 0.2299000       8.989000      0.2294000     -0.4735000E-01  0.3248000
  1 1 1       2    2   17 o    3.840000      0.2547000       4.057000 0.3608000       3.622000      0.3595000      0.4348000      0.5093000
  1 1 1       2    2   18 f    5.145000      0.1782000       4.977000 0.2550000       5.313000      0.2489000     -0.3365000      0.3564000
  1 1 1       2    2   19 o    2.261000      0.3365000       2.071000 0.5119000       2.452000      0.4370000     -0.3805000      0.6731000
  1 1 1       2    2   20 o    6.616000      0.2651000       6.682000 0.3680000       6.550000      0.3817000      0.1315000      0.5302000
  1 1 1       2    2   21 f    6.773000      0.2697000       7.139000 0.3706000       6.407000      0.3919000      0.7321000      0.5394000
  1 1 1       2    2   22 o    11.00000      0.1975000       10.77000 0.2774000       11.22000      0.2811000     -0.4509000      0.3949000
  1 1 1       2    2   23 o    6.925000      0.1982000       6.945000 0.2846000       6.905000      0.2759000      0.4078000E-01  0.3964000
  1 1 1       2    2   24 o    6.672000      0.2046000       6.718000 0.2940000       6.626000      0.2845000      0.9298000E-01  0.4092000
  1 1 1       2    2   25 o    4.552000      0.2560000       4.741000 0.3502000       4.363000      0.3735000      0.3779000      0.5120000
  1 1 1       2    2   26 o    4.840000      0.2541000       5.054000 0.3627000       4.626000      0.3560000      0.4276000      0.5082000
  1 1 1       2    2   27 o    8.315000      0.2100000       8.161000 0.3034000       8.469000      0.2903000     -0.3077000      0.4199000
  1 1 1       2    2   28 o    1.426000      0.4364000       1.413000 0.6187000       1.439000      0.6155000     -0.2538000E-01  0.8727000
  1 1 1       2    2   29 o    7.450000      0.2311000       7.795000 0.3223000       7.105000      0.3314000      0.6894000      0.4623000
  1 1 1       2    2   30 o    7.504000      0.2359000       7.772000 0.3362000       7.237000      0.3310000      0.5358000      0.4718000
  1 1 1       2    2   31 o    5.190000      0.3003000       5.007000 0.4330000       5.374000      0.4163000     -0.3675000      0.6006000
  1 1 1       2    2   32 o    10.82000      0.2395000       10.66000 0.3410000       10.99000      0.3365000     -0.3335000      0.4791000
  1 1 1       2    2   33 o    4.112000      0.4236000       3.641000 0.6901000       4.582000      0.4914000     -0.9406000      0.8472000
  1 1 1       2    2   34 o    9.197000      0.3459000       9.530000 0.5178000       8.864000      0.4588000      0.6661000      0.6918000
  1 1 1       2    2   35 o    2.019000      0.5527000       1.986000 0.7926000       2.051000      0.7706000     -0.6527000E-01   1.105000
  1 1 1       2    2   36 o    2.275000      0.5404000       1.720000 0.7418000       2.829000      0.7860000      -1.109000       1.081000
  1 1 1       2    2   37 f    5.329000      0.5486000       6.200000 0.6639000       4.457000      0.8736000       1.743000       1.097000
  1 1 1       2    2   38 o    3.197000      0.5379000       3.137000 0.7862000       3.258000      0.7344000     -0.1209000       1.076000
  1 1 1       2    3    0 o    18.80000      0.2542000       19.09000 0.3653000       18.50000      0.3535000      0.5860000      0.5083000
  1 1 1       2    3    1 o    13.17000      0.2185000       13.06000 0.3550000       13.28000      0.2550000     -0.2135000      0.4371000
  1 1 1       2    3    2 o    10.73000      0.1826000       10.21000 0.2878000       11.24000      0.2248000      -1.036000      0.3652000
  1 1 1       2    3    3 o    10.89000      0.1752000       10.84000 0.2510000       10.94000      0.2444000     -0.9977000E-01  0.3504000
  1 1 1       2    3    4 o    8.378000      0.1485000       8.427000 0.2407000       8.328000      0.1739000      0.9938000E-01  0.2969000
  1 1 1       2    3    5 o    19.06000      0.2574000       18.98000 0.3623000       19.15000      0.3658000     -0.1682000      0.5149000
  1 1 1       2    3    6 o    38.02000      0.5082000       38.10000 0.7202000       37.94000      0.7172000      0.1616000       1.016000
  1 1 1       2    3    7 o    31.52000      0.4234000       31.42000 0.5980000       31.61000      0.5997000     -0.1919000      0.8469000
  1 1 1       2    3    8 o    23.98000      0.3242000       24.00000 0.4590000       23.96000      0.4581000      0.3347000E-01  0.6485000
  1 1 1       2    3    9 o    14.23000      0.2006000       14.40000 0.2871000       14.05000      0.2802000      0.3483000      0.4012000
  1 1 1       2    3   10 o    18.96000      0.2613000       18.80000 0.3664000       19.11000      0.3725000     -0.3134000      0.5225000
  1 1 1       2    3   11 o    22.35000      0.3062000       22.43000 0.4346000       22.26000      0.4315000      0.1748000      0.6124000
  1 1 1       2    3   12 o    2.150000      0.2514000       2.772000 0.2379000       1.529000      0.4429000       1.243000      0.5027000
  1 1 1       2    3   13 o    7.115000      0.1978000       7.115000 0.1978000                  ?              ?              ?              ?
  1 1 1       2    3   14 o    3.589000      0.1789000       3.315000 0.2466000       3.864000      0.2594000     -0.5484000      0.3579000
  1 1 1       2    3   15 o    8.905000      0.2339000                  ?       ?   8.905000      0.2339000                  ?              ?
  1 1 1       2    3   16 o    10.08000      0.2476000       10.65000 0.3503000       9.506000      0.3502000       1.142000      0.4953000
  1 1 1       2    3   17 o    10.12000      0.2510000       10.36000 0.3497000       9.870000      0.3602000      0.4922000      0.5020000
  1 1 1       2    3   18 o    5.403000      0.1817000       5.470000 0.2367000       5.335000      0.2758000      0.1352000      0.3635000
  1 1 1       2    3   19 o    7.882000      0.2484000       8.088000 0.3424000       7.676000      0.3600000      0.4119000      0.4969000
  1 1 1       2    3   20 o    5.279000      0.2859000       5.145000 0.3905000       5.413000      0.4176000     -0.2688000      0.5717000
  1 1 1       2    3   21 o    3.177000      0.2833000       2.966000 0.4299000       3.387000      0.3692000     -0.4211000      0.5667000
  1 1 1       2    3   22 o    2.747000      0.3327000       2.620000 0.4886000       2.875000      0.4516000     -0.2547000      0.6654000
  1 1 1       2    3   23 o    10.06000      0.1964000       10.22000 0.2792000       9.897000      0.2764000      0.3262000      0.3929000
  1 1 1       2    3   24 o    3.823000      0.2877000       3.912000 0.3987000       3.734000      0.4150000      0.1781000      0.5755000
  1 1 1       2    3   25 o    3.033000      0.3604000       2.718000 0.5649000       3.348000      0.4477000     -0.6298000      0.7208000
  1 1 1       2    3   26 o    9.606000      0.2044000       9.593000 0.2891000       9.620000      0.2891000     -0.2680000E-01  0.4089000
  1 1 1       2    3   27 o    6.432000      0.2240000       6.521000 0.3131000       6.343000      0.3204000      0.1787000      0.4480000
  1 1 1       2    3   28 o    3.290000      0.3688000       3.231000 0.5321000       3.349000      0.5107000     -0.1174000      0.7375000
  1 1 1       2    3   29 o    6.607000      0.2423000       6.676000 0.3373000       6.538000      0.3479000      0.1382000      0.4845000
  1 1 1       2    3   30 o    9.581000      0.2258000       9.424000 0.3252000       9.738000      0.3135000     -0.3146000      0.4517000
  1 1 1       2    3   31 o    3.487000      0.4235000       3.538000 0.6141000       3.435000      0.5833000      0.1031000      0.8470000
  1 1 1       2    3   32 o    9.203000      0.2407000       9.344000 0.3525000       9.062000      0.3279000      0.2823000      0.4815000
  1 1 1       2    3   33 o    2.767000      0.6282000       2.775000 0.9316000       2.760000      0.8430000      0.1474000E-01   1.256000
  1 1 1       2    3   34 o    5.714000      0.4294000       5.704000 0.6476000       5.724000      0.5641000     -0.2023000E-01  0.8589000
  1 1 1       2    3   35 o    5.502000      0.3339000       5.295000 0.5030000       5.709000      0.4391000     -0.4134000      0.6677000
  1 1 1       2    3   36 o    2.513000      0.6857000       2.821000 0.9986000       2.205000      0.9400000      0.6160000       1.371000
  1 1 1       2    3   37 o    3.744000      0.6272000       2.358000 0.9659000       5.129000      0.8002000      -2.771000       1.254000
  1 1 1       2    3   38 o    4.613000      0.3896000       4.181000 0.6117000       5.045000      0.4825000     -0.8633000      0.7791000
  1 1 1       2    4    0 o    16.57000      0.2250000       16.42000 0.3160000       16.72000      0.3204000     -0.3035000      0.4500000
  1 1 1       2    4    1 o    14.02000      0.1910000       14.04000 0.2707000       14.00000      0.2694000      0.3395000E-01  0.3819000
  1 1 1       2    4    2 o    10.09000      0.2244000       10.14000 0.2898000       10.03000      0.3427000      0.1107000      0.4488000
  1 1 1       2    4    3 o    9.399000      0.1721000       9.455000 0.2493000       9.344000      0.2373000      0.1113000      0.3441000
  1 1 1       2    4    4 o    20.38000      0.3427000       21.16000 0.5723000       19.60000      0.3773000       1.561000      0.6855000
  1 1 1       2    4    5 o    27.58000      0.3703000       27.80000 0.5276000       27.37000      0.5197000      0.4252000      0.7406000
  1 1 1       2    4    6 o    20.61000      0.2785000       20.55000 0.3929000       20.66000      0.3947000     -0.1044000      0.5569000
  1 1 1       2    4    7 o    15.47000      0.2137000       15.38000 0.3007000       15.57000      0.3038000     -0.1842000      0.4275000
  1 1 1       2    4    8 f    17.66000      0.2425000       17.62000 0.3424000       17.69000      0.3435000     -0.6567000E-01  0.4850000
  1 1 1       2    4    9 o    4.166000      0.1256000       4.145000 0.1760000       4.188000      0.1792000     -0.4293000E-01  0.2512000
  1 1 1       2    4   10 o    13.21000      0.1904000       13.30000 0.2706000       13.12000      0.2679000      0.1790000      0.3808000
  1 1 1       2    4   11 o    9.974000      0.1576000       10.07000 0.2238000       9.880000      0.2218000      0.1884000      0.3151000
  1 1 1       2    4   12 o    9.204000      0.1550000       9.114000 0.2173000       9.294000      0.2210000     -0.1795000      0.3099000
  1 1 1       2    4   13 o    6.201000      0.2081000       6.201000 0.2081000                  ?              ?              ?              ?
  1 1 1       2    4   14 o    12.70000      0.2387000       12.47000 0.2674000       12.92000      0.3955000     -0.4586000      0.4774000
  1 1 1       2    4   15 o    6.214000      0.3268000                  ?       ?   6.214000      0.3268000                  ?              ?
  1 1 1       2    4   16 o    7.084000      0.2245000       6.604000 0.3026000       7.563000      0.3316000     -0.9587000      0.4489000
  1 1 1       2    4   17 o    6.793000      0.1665000       6.971000 0.2239000       6.615000      0.2465000      0.3556000      0.3330000
  1 1 1       2    4   18 o    12.32000      0.2813000       12.22000 0.3942000       12.42000      0.4015000     -0.2027000      0.5627000
  1 1 1       2    4   19 o    17.85000      0.3700000       17.91000 0.5212000       17.79000      0.5254000      0.1234000      0.7400000
  1 1 1       2    4   20 o    4.425000      0.2236000       4.121000 0.3124000       4.728000      0.3199000     -0.6075000      0.4471000
  1 1 1       2    4   21 o    4.586000      0.2333000       4.478000 0.3193000       4.694000      0.3402000     -0.2159000      0.4666000
  1 1 1       2    4   22 o    6.028000      0.2055000       6.256000 0.2684000       5.800000      0.3113000      0.4558000      0.4110000
  1 1 1       2    4   23 o    8.019000      0.1998000       8.085000 0.2671000       7.952000      0.2973000      0.1331000      0.3997000
  1 1 1       2    4   24 o    12.46000      0.2194000       12.97000 0.3088000       11.94000      0.3118000       1.037000      0.4388000
  1 1 1       2    4   25 o    8.329000      0.2090000       8.528000 0.2848000       8.131000      0.3058000      0.3962000      0.4179000
  1 1 1       2    4   26 o    3.855000      0.3262000       3.444000 0.4757000       4.267000      0.4464000     -0.8236000      0.6524000
  1 1 1       2    4   27 f    4.732000      0.2985000       4.249000 0.4084000       5.214000      0.4356000     -0.9648000      0.5971000
  1 1 1       2    4   28 o    10.05000      0.2288000       9.923000 0.3034000       10.17000      0.3426000     -0.2501000      0.4576000
  1 1 1       2    4   29 f    3.934000      0.4002000       4.504000 0.4285000       3.364000      0.6760000       1.141000      0.8004000
  1 1 1       2    4   30 o    8.981000      0.2491000       9.274000 0.3266000       8.689000      0.3762000      0.5851000      0.4982000
  1 1 1       2    4   31 o    5.107000      0.3643000       5.426000 0.4173000       4.787000      0.5973000      0.6389000      0.7287000
  1 1 1       2    4   32 o    4.852000      0.5791000       4.876000 0.6715000       4.829000      0.9436000      0.4641000E-01   1.158000
  1 1 1       2    4   33 o    3.022000      0.6724000       3.731000 0.8953000       2.313000       1.003000       1.418000       1.345000
  1 1 1       2    4   34 o    2.531000      0.5631000       3.169000 0.7694000       1.892000      0.8223000       1.278000       1.126000
  1 1 1       2    4   35 o    6.363000      0.4000000       6.842000 0.6181000       5.884000      0.5080000      0.9580000      0.8001000
  1 1 1       2    4   36 o    2.429000      0.6841000       2.693000 1.016000       2.166000      0.9163000      0.5270000       1.368000
  1 1 1       2    4   37 o    2.427000      0.5630000       2.905000 0.7971000       1.950000      0.7953000      0.9554000       1.126000
  1 1 1       2    4   38 o    3.820000      0.4825000       4.818000 0.5390000       2.822000      0.8005000       1.996000      0.9651000
  1 1 1       2    5    0 o    29.77000      0.3991000       30.13000 0.5714000       29.42000      0.5574000      0.7155000      0.7983000
  1 1 1       2    5    1 o    19.08000      0.2593000       19.34000 0.3720000       18.81000      0.3614000      0.5327000      0.5186000
  1 1 1       2    5    2 o    9.808000      0.1706000       10.11000 0.2391000       9.508000      0.2433000      0.6010000      0.3411000
  1 1 1       2    5    3 o    14.24000      0.2244000       14.68000 0.3290000       13.81000      0.3053000      0.8692000      0.4488000
  1 1 1       2    5    4 o    6.777000      0.1516000       6.858000 0.2166000       6.696000      0.2122000      0.1621000      0.3032000
  1 1 1       2    5    5 o    8.018000      0.1311000       7.923000 0.1867000       8.114000      0.1843000     -0.1916000      0.2623000
  1 1 1       2    5    6 o    11.05000      0.1592000       10.99000 0.2246000       11.12000      0.2257000     -0.1211000      0.3184000
  1 1 1       2    5    7 o    16.42000      0.2258000       16.45000 0.3200000       16.39000      0.3186000      0.6439000E-01  0.4516000
  1 1 1       2    5    8 o    18.42000      0.2524000       18.47000 0.3580000       18.38000      0.3560000      0.9797000E-01  0.5048000
  1 1 1       2    5    9 o    6.468000      0.1463000       6.361000 0.2345000       6.575000      0.1749000     -0.2135000      0.2925000
  1 1 1       2    5   10 o    11.46000      0.1712000       11.51000 0.2427000       11.41000      0.2415000      0.9859000E-01  0.3424000
  1 1 1       2    5   11 o    18.16000      0.2535000       18.20000 0.3592000       18.12000      0.3578000      0.8135000E-01  0.5070000
  1 1 1       2    5   12 o    9.761000      0.1606000       9.856000 0.2277000       9.666000      0.2266000      0.1898000      0.3212000
  1 1 1       2    5   13 o    11.87000      0.1843000       12.02000 0.2616000       11.71000      0.2596000      0.3100000      0.3686000
  1 1 1       2    5   14 o    5.621000      0.2108000       5.537000 0.2842000       5.705000      0.3113000     -0.1676000      0.4215000
  1 1 1       2    5   15 o    17.27000      0.2499000       17.19000 0.3526000       17.36000      0.3541000     -0.1663000      0.4997000
  1 1 1       2    5   16 o    12.63000      0.1996000       12.79000 0.2850000       12.48000      0.2794000      0.3076000      0.3991000
  1 1 1       2    5   17 o    5.241000      0.2548000       5.435000 0.3393000       5.048000      0.3802000      0.3863000      0.5097000
  1 1 1       2    5   18 o    4.128000      0.3024000       4.411000 0.3802000       3.846000      0.4704000      0.5652000      0.6048000
  1 1 1       2    5   19 o    3.459000      0.2582000       3.326000 0.3444000       3.593000      0.3847000     -0.2672000      0.5163000
  1 1 1       2    5   20 o    5.660000      0.1957000       5.601000 0.2621000       5.718000      0.2907000     -0.1174000      0.3915000
  1 1 1       2    5   21 o    6.920000      0.1956000       6.970000 0.2634000       6.870000      0.2891000      0.9976000E-01  0.3911000
  1 1 1       2    5   22 o    4.156000      0.2623000       3.894000 0.3690000       4.417000      0.3727000     -0.5227000      0.5245000
  1 1 1       2    5   23 o    1.625000      0.4372000       1.534000 0.5892000       1.716000      0.6461000     -0.1822000      0.8744000
  1 1 1       2    5   24 o    12.70000      0.2214000       13.14000 0.3098000       12.27000      0.3163000      0.8741000      0.4427000
  1 1 1       2    5   25 o    5.043000      0.2517000       5.210000 0.3362000       4.876000      0.3747000      0.3337000      0.5034000
  1 1 1       2    5   26 o    4.990000      0.2713000       5.338000 0.3314000       4.642000      0.4297000      0.6956000      0.5427000
  1 1 1       2    5   27 o    6.295000      0.2456000       6.505000 0.3189000       6.085000      0.3736000      0.4204000      0.4912000
  1 1 1       2    5   28 o    12.58000      0.2357000       12.85000 0.3257000       12.32000      0.3408000      0.5332000      0.4714000
  1 1 1       2    5   29 o    5.405000      0.2921000       5.232000 0.3932000       5.577000      0.4319000     -0.3453000      0.5841000
  1 1 1       2    5   30 o    5.740000      0.2948000       5.782000 0.3679000       5.699000      0.4607000      0.8304000E-01  0.5896000
  1 1 1       2    5   31 o    7.233000      0.3776000       7.736000 0.3659000       6.729000      0.6607000       1.007000      0.7552000
  1 1 1       2    5   32 o    2.998000      0.6414000       1.860000 0.8070000       4.135000      0.9971000      -2.275000       1.283000
  1 1 1       2    5   33 o    2.096000      0.5624000       2.357000 0.7953000       1.835000      0.7955000      0.5227000       1.125000
  1 1 1       2    5   34 o    5.612000      0.3675000       5.763000 0.4685000       5.460000      0.5663000      0.3038000      0.7350000
  1 1 1       2    5   35 o    6.616000      0.4687000       6.532000 0.6316000       6.700000      0.6927000     -0.1685000      0.9374000
  1 1 1       2    5   36 o    2.232000      0.5605000       2.648000 0.8063000       1.815000      0.7789000      0.8333000       1.121000
  1 1 1       2    5   37 o    2.287000      0.5153000       1.397000 0.6542000       3.178000      0.7965000      -1.781000       1.031000
  1 1 1       2    5   38 o    1.857000      0.7750000                  ?       ?   1.857000      0.7750000                  ?              ?
  1 1 1       2    6    0 o    21.94000      0.2962000       21.82000 0.4162000       22.06000      0.4216000     -0.2418000      0.5924000
  1 1 1       2    6    1 o    8.222000      0.1359000       8.133000 0.1836000       8.310000      0.2004000     -0.1772000      0.2718000
  1 1 1       2    6    2 o    9.273000      0.1778000       9.217000 0.2459000       9.330000      0.2569000     -0.1136000      0.3556000
  1 1 1       2    6    3 o    7.446000      0.1948000       7.549000 0.2788000       7.343000      0.2721000      0.2063000      0.3896000
  1 1 1       2    6    4 o    14.18000      0.2173000       14.30000 0.3191000       14.06000      0.2950000      0.2446000      0.4346000
  1 1 1       2    6    5 o    15.03000      0.2145000       15.16000 0.3089000       14.91000      0.2976000      0.2442000      0.4290000
  1 1 1       2    6    6 o    23.33000      0.3166000       23.48000 0.4512000       23.18000      0.4442000      0.3025000      0.6332000
  1 1 1       2    6    7 o    3.071000      0.1970000       3.116000 0.2793000       3.025000      0.2778000      0.9106000E-01  0.3939000
  1 1 1       2    6    8 o    12.91000      0.1846000       13.05000 0.2635000       12.78000      0.2585000      0.2685000      0.3692000
  1 1 1       2    6    9 o    21.52000      0.2938000       21.38000 0.4128000       21.66000      0.4182000     -0.2778000      0.5877000
  1 1 1       2    6   10 o    5.076000      0.1322000       5.155000 0.1860000       4.997000      0.1879000      0.1575000      0.2644000
  1 1 1       2    6   11 o    18.59000      0.2592000       18.58000 0.3665000       18.61000      0.3667000     -0.2568000E-01  0.5185000
  1 1 1       2    6   12 o    6.948000      0.1981000       7.009000 0.2724000       6.887000      0.2879000      0.1222000      0.3963000
  1 1 1       2    6   13 o    14.52000      0.2980000       14.52000 0.4188000       14.52000      0.4239000     -0.3296000E-02  0.5959000
  1 1 1       2    6   14 o    7.462000      0.1578000       7.385000 0.2230000       7.538000      0.2233000     -0.1539000      0.3156000
  1 1 1       2    6   15 o    2.296000      0.3144000       1.962000 0.4739000       2.629000      0.4134000     -0.6667000      0.6289000
  1 1 1       2    6   16 o    9.388000      0.2552000       9.528000 0.3727000       9.247000      0.3488000      0.2814000      0.5105000
  1 1 1       2    6   17 o    10.20000      0.2676000       10.19000 0.3869000       10.22000      0.3697000     -0.2514000E-01  0.5352000
  1 1 1       2    6   18 o    4.216000      0.2194000       4.145000 0.3096000       4.287000      0.3108000     -0.1420000      0.4387000
  1 1 1       2    6   19 o    2.234000      0.3781000       1.955000 0.5299000       2.513000      0.5394000     -0.5585000      0.7561000
  1 1 1       2    6   20 o    3.517000      0.2630000       3.332000 0.3569000       3.701000      0.3864000     -0.3688000      0.5260000
  1 1 1       2    6   21 o    9.591000      0.1903000       9.723000 0.2627000       9.458000      0.2756000      0.2652000      0.3807000
  1 1 1       2    6   22 o    4.677000      0.2501000       5.082000 0.3077000       4.272000      0.3943000      0.8097000      0.5001000
  1 1 1       2    6   23 o    14.32000      0.2325000       14.47000 0.3259000       14.17000      0.3317000      0.2995000      0.4650000
  1 1 1       2    6   24 o    7.902000      0.2043000       8.112000 0.2744000       7.692000      0.3027000      0.4203000      0.4086000
  1 1 1       2    6   25 o    8.759000      0.2094000       8.366000 0.2846000       9.152000      0.3072000     -0.7867000      0.4188000
  1 1 1       2    6   26 o    1.836000      0.4780000       1.867000 0.6596000       1.806000      0.6920000      0.6091000E-01  0.9560000
  1 1 1       2    6   27 o    5.938000      0.2517000       6.108000 0.3260000       5.768000      0.3835000      0.3402000      0.5034000
  1 1 1       2    6   28 o    2.292000      0.5120000       2.142000 0.6968000       2.442000      0.7502000     -0.3003000       1.024000
  1 1 1       2    6   29 o    3.997000      0.3890000       4.050000 0.4848000       3.944000      0.6084000      0.1060000      0.7779000
  1 1 1       2    6   30 o    5.322000      0.3187000       4.859000 0.4448000       5.784000      0.4566000     -0.9250000      0.6374000
  1 1 1       2    6   31 o    4.861000      0.5354000       5.374000 0.5977000       4.348000      0.8885000       1.026000       1.071000
  1 1 1       2    6   32 o    2.260000      0.5710000       1.847000 0.7498000       2.673000      0.8614000     -0.8258000       1.142000
  1 1 1       2    6   33 o    2.745000      0.5551000       3.258000 0.7077000       2.232000      0.8553000       1.026000       1.110000
  1 1 1       2    6   34 o    3.023000      0.6855000       2.895000 0.9415000       3.151000      0.9966000     -0.2563000       1.371000
  1 1 1       2    6   35 o    7.925000      0.2885000       8.061000 0.3796000       7.789000      0.4346000      0.2725000      0.5770000
  1 1 1       2    6   36 o    2.338000      0.5859000       2.483000 0.8190000       2.193000      0.8381000      0.2893000       1.172000
  1 1 1       2    6   37 o    2.777000      0.5803000       2.845000 0.8146000       2.710000      0.8266000      0.1345000       1.161000
  1 1 1       2    7    0 o    26.39000      0.3571000       26.28000 0.5016000       26.51000      0.5084000     -0.2266000      0.7142000
  1 1 1       2    7    1 o    11.65000      0.1797000       11.53000 0.2434000       11.77000      0.2645000     -0.2377000      0.3595000
  1 1 1       2    7    2 o    15.73000      0.2486000       15.65000 0.3376000       15.81000      0.3651000     -0.1626000      0.4973000
  1 1 1       2    7    3 o    8.890000      0.2153000       9.274000 0.3150000       8.505000      0.2937000      0.7692000      0.4307000
  1 1 1       2    7    4 o    16.39000      0.2482000       16.61000 0.3641000       16.18000      0.3373000      0.4280000      0.4963000
  1 1 1       2    7    5 o    16.52000      0.2869000       17.18000 0.4760000       15.85000      0.3204000       1.331000      0.5738000
  1 1 1       2    7    6 o    14.24000      0.2057000       14.16000 0.2914000       14.33000      0.2903000     -0.1680000      0.4113000
  1 1 1       2    7    7 o    10.23000      0.1565000       10.37000 0.2249000       10.09000      0.2177000      0.2768000      0.3130000
  1 1 1       2    7    8 o    20.62000      0.2822000       20.72000 0.4006000       20.53000      0.3975000      0.1847000      0.5643000
  1 1 1       2    7    9 o    9.532000      0.2108000       9.872000 0.3059000       9.192000      0.2900000      0.6798000      0.4215000
  1 1 1       2    7   10 o    13.62000      0.2761000       13.51000 0.3883000       13.74000      0.3926000     -0.2347000      0.5522000
  1 1 1       2    7   11 o    15.88000      0.2250000       15.91000 0.3188000       15.85000      0.3174000      0.5851000E-01  0.4499000
  1 1 1       2    7   12 o    21.69000      0.2998000       21.73000 0.4248000       21.65000      0.4231000      0.7703000E-01  0.5995000
  1 1 1       2    7   13 o    13.57000      0.2025000       13.45000 0.2848000       13.70000      0.2879000     -0.2491000      0.4050000
  1 1 1       2    7   14 o    12.15000      0.2730000       12.50000 0.4017000       11.80000      0.3696000      0.6986000      0.5459000
  1 1 1       2    7   15 o    5.426000      0.2673000       5.567000 0.3814000       5.285000      0.3745000      0.2824000      0.5345000
  1 1 1       2    7   16 o    12.59000      0.1990000       12.43000 0.2781000       12.75000      0.2848000     -0.3217000      0.3981000
  1 1 1       2    7   17 o    10.54000      0.1855000       10.41000 0.2634000       10.67000      0.2612000     -0.2517000      0.3709000
  1 1 1       2    7   18 o    7.226000      0.1764000       7.213000 0.2512000       7.240000      0.2477000     -0.2697000E-01  0.3528000
  1 1 1       2    7   19 o    2.754000      0.3383000       2.493000 0.5195000       3.014000      0.4335000     -0.5202000      0.6766000
  1 1 1       2    7   20 o    5.192000      0.2165000       5.276000 0.3016000       5.107000      0.3106000      0.1688000      0.4329000
  1 1 1       2    7   21 o    1.980000      0.4216000       1.933000 0.5764000       2.028000      0.6153000     -0.9472000E-01  0.8431000
  1 1 1       2    7   22 o    3.631000      0.2935000       3.586000 0.3866000       3.676000      0.4416000     -0.9057000E-01  0.5869000
  1 1 1       2    7   23 o    10.61000      0.2072000       10.21000 0.2840000       11.01000      0.3017000     -0.8026000      0.4144000
  1 1 1       2    7   24 o    8.528000      0.2070000       8.610000 0.2763000       8.446000      0.3082000      0.1638000      0.4140000
  1 1 1       2    7   25 o    2.779000      0.4236000       3.019000 0.5078000       2.539000      0.6782000      0.4805000      0.8473000
  1 1 1       2    7   26 o    4.463000      0.2974000       4.800000 0.3696000       4.126000      0.4660000      0.6741000      0.5948000
  1 1 1       2    7   27 o    4.182000      0.3298000       4.489000 0.3853000       3.876000      0.5352000      0.6128000      0.6595000
  1 1 1       2    7   28 o    5.992000      0.2674000       5.749000 0.3493000       6.235000      0.4050000     -0.4853000      0.5349000
  1 1 1       2    7   29 o    2.569000      0.5875000       2.547000 0.7005000       2.592000      0.9433000     -0.4437000E-01   1.175000
  1 1 1       2    7   30 o    2.620000      0.6485000       2.320000 0.8489000       2.920000      0.9806000     -0.5995000       1.297000
  1 1 1       2    7   31 o    4.601000      0.3852000       4.675000 0.4789000       4.527000      0.6034000      0.1482000      0.7703000
  1 1 1       2    7   32 o    3.008000      0.5685000       2.721000 0.7798000       3.295000      0.8273000     -0.5738000       1.137000
  1 1 1       2    7   33 o    3.308000      0.6717000       3.976000 0.8900000       2.639000       1.006000       1.337000       1.343000
  1 1 1       2    7   34 o    2.684000      0.5885000       2.760000 0.7920000       2.607000      0.8706000      0.1531000       1.177000
  1 1 1       2    7   35 o    2.579000      0.5919000       2.429000 0.7906000       2.729000      0.8810000     -0.3003000       1.184000
  1 1 1       2    7   36 o    1.926000      0.5451000       1.556000 0.6942000       2.295000      0.8406000     -0.7389000       1.090000
  1 1 1       2    7   37 o    1.680000      0.5214000       1.631000 0.7181000       1.730000      0.7563000     -0.9915000E-01   1.043000
  1 1 1       2    8    0 o    3.687000      0.1488000       3.946000 0.1956000       3.428000      0.2244000      0.5185000      0.2976000
  1 1 1       2    8    1 o    10.02000      0.2707000       10.34000 0.2420000       9.705000      0.4844000      0.6386000      0.5414000
  1 1 1       2    8    2 o    4.426000      0.2542000       5.070000 0.3585000       3.782000      0.3606000       1.288000      0.5085000
  1 1 1       2    8    3 o    16.63000      0.2784000       16.86000 0.3980000       16.39000      0.3894000      0.4720000      0.5568000
  1 1 1       2    8    4 o    9.610000      0.2102000       9.528000 0.3026000       9.692000      0.2920000     -0.1644000      0.4205000
  1 1 1       2    8    5 o    19.48000      0.4301000       19.65000 0.6564000       19.32000      0.5558000      0.3305000      0.8601000
  1 1 1       2    8    6 o    19.40000      0.3976000       19.85000 0.5903000       18.96000      0.5328000      0.8951000      0.7952000
  1 1 1       2    8    7 o    2.167000      0.3913000       1.720000 0.6419000       2.614000      0.4477000     -0.8936000      0.7826000
  1 1 1       2    8    8 o    43.51000      0.8259000       44.09000 1.184000       42.94000       1.152000       1.148000       1.652000
  1 1 1       2    8    9 o    10.17000      0.1581000       10.00000 0.2218000       10.34000      0.2254000     -0.3382000      0.3162000
  1 1 1       2    8   10 o    4.254000      0.1500000       4.321000 0.2131000       4.187000      0.2112000      0.1347000      0.3000000
  1 1 1       2    8   11 o    18.47000      0.3668000       17.84000 0.5041000       19.09000      0.5329000      -1.253000      0.7335000
  1 1 1       2    8   12 o    3.662000      0.2825000       3.178000 0.4495000       4.145000      0.3422000     -0.9673000      0.5649000
  1 1 1       2    8   13 f    15.17000      0.3171000       15.42000 0.4554000       14.92000      0.4415000      0.5006000      0.6343000
  1 1 1       2    8   14 o    1.136000      0.4726000       1.136000 0.4726000                  ?              ?              ?              ?
  1 1 1       2    8   15 f    10.35000      0.1777000       10.28000 0.2518000       10.42000      0.2509000     -0.1389000      0.3555000
  1 1 1       2    8   16 o    9.770000      0.2493000                  ?       ?   9.770000      0.2493000                  ?              ?
  1 1 1       2    8   17 o    4.192000      0.2116000       3.863000 0.3153000       4.521000      0.2823000     -0.6578000      0.4232000
  1 1 1       2    8   18 o    1.922000      0.3863000       1.604000 0.5664000       2.241000      0.5254000     -0.6370000      0.7726000
  1 1 1       2    8   19 o    13.30000      0.2142000       13.28000 0.3049000       13.32000      0.3008000     -0.4044000E-01  0.4283000
  1 1 1       2    8   20 o    2.664000      0.3756000       2.971000 0.4876000       2.357000      0.5714000      0.6143000      0.7512000
  1 1 1       2    8   21 o    6.938000      0.2028000       6.991000 0.2900000       6.886000      0.2837000      0.1058000      0.4057000
  1 1 1       2    8   22 o    8.730000      0.2000000       8.959000 0.2831000       8.501000      0.2825000      0.4578000      0.4000000
  1 1 1       2    8   23 o    1.467000      0.4406000       1.636000 0.6664000       1.297000      0.5766000      0.3390000      0.8813000
  1 1 1       2    8   24 o    8.514000      0.2022000       8.320000 0.2759000       8.709000      0.2956000     -0.3889000      0.4043000
  1 1 1       2    8   25 o    12.41000      0.2229000       12.38000 0.3079000       12.44000      0.3223000     -0.5913000E-01  0.4457000
  1 1 1       2    8   26 o    12.64000      0.2286000       12.96000 0.3197000       12.33000      0.3269000      0.6273000      0.4573000
  1 1 1       2    8   27 o    5.383000      0.2811000       4.845000 0.3932000       5.920000      0.4017000      -1.076000      0.5621000
  1 1 1       2    8   28 o    3.600000      0.5413000       3.179000 0.7298000       4.021000      0.7998000     -0.8421000       1.083000
  1 1 1       2    8   29 o    5.182000      0.4281000       5.205000 0.5581000       5.158000      0.6492000      0.4627000E-01  0.8562000
  1 1 1       2    8   30 o    2.105000      0.5434000       1.970000 0.7333000       2.240000      0.8023000     -0.2708000       1.087000
  1 1 1       2    8   31 o    3.157000      0.5119000       3.781000 0.5948000       2.534000      0.8333000       1.247000       1.024000
  1 1 1       2    8   32 f    9.219000      0.3845000       9.699000 0.5110000       8.739000      0.5745000      0.9604000      0.7689000
  1 1 1       2    8   33 o    2.430000      0.5857000       2.512000 0.7954000       2.348000      0.8599000      0.1635000       1.171000
  1 1 1       2    8   34 o    1.618000      0.5316000       1.721000 0.7919000       1.514000      0.7095000      0.2062000       1.063000
  1 1 1       2    8   35 o    3.356000      0.5375000       2.525000 0.8169000       4.186000      0.6988000      -1.661000       1.075000
  1 1 1       2    8   36 o    2.048000      0.5508000       2.377000 0.8050000       1.720000      0.7519000      0.6570000       1.102000
  1 1 1       2    8   37 o    3.093000      0.5380000       2.275000 0.8212000       3.911000      0.6954000      -1.636000       1.076000
  1 1 1       2    9    0 o    5.221000      0.1868000       5.286000 0.2855000       5.156000      0.2409000      0.1299000      0.3735000
  1 1 1       2    9    1 o    13.07000      0.2900000       13.78000 0.4498000       12.36000      0.3662000       1.416000      0.5800000
  1 1 1       2    9    2 o    12.93000      0.3223000       12.18000 0.5008000       13.68000      0.4059000      -1.500000      0.6447000
  1 1 1       2    9    3 o    23.98000      0.5395000       24.54000 0.8543000       23.42000      0.6591000       1.120000       1.079000
  1 1 1       2    9    4 o    13.09000      0.2520000       13.68000 0.3735000       12.51000      0.3384000       1.166000      0.5040000
  1 1 1       2    9    5 o    13.26000      0.2381000       13.42000 0.3521000       13.10000      0.3207000      0.3283000      0.4763000
  1 1 1       2    9    6 o    24.28000      0.3389000       24.15000 0.4842000       24.40000      0.4743000     -0.2451000      0.6778000
  1 1 1       2    9    7 o    22.39000      0.3108000       22.65000 0.4478000       22.12000      0.4311000      0.5304000      0.6216000
  1 1 1       2    9    8 o    16.43000      0.3258000       16.33000 0.4573000       16.53000      0.4643000     -0.2037000      0.6517000
  1 1 1       2    9    9 o    8.707000      0.2073000       8.804000 0.2935000       8.610000      0.2929000      0.1941000      0.4146000
  1 1 1       2    9   10 o    16.26000      0.3256000       16.27000 0.4605000       16.24000      0.4604000      0.2768000E-01  0.6512000
  1 1 1       2    9   11 o    15.59000      0.2237000       15.53000 0.3161000       15.65000      0.3166000     -0.1200000      0.4474000
  1 1 1       2    9   12 o    3.949000      0.1742000       4.051000 0.2435000       3.847000      0.2491000      0.2045000      0.3483000
  1 1 1       2    9   13 o    10.84000      0.1753000       10.67000 0.2456000       11.00000      0.2501000     -0.3351000      0.3505000
  1 1 1       2    9   14 o    15.43000      0.3211000       15.43000 0.3211000                  ?              ?              ?              ?
  1 1 1       2    9   15 o    5.805000      0.1666000       5.607000 0.2379000       6.004000      0.2332000     -0.3972000      0.3331000
  1 1 1       2    9   16 o    4.110000      0.2874000                  ?       ?   4.110000      0.2874000                  ?              ?
  1 1 1       2    9   17 o    4.535000      0.2101000       4.871000 0.2856000       4.198000      0.3081000      0.6730000      0.4201000
  1 1 1       2    9   18 o    10.64000      0.1909000       10.68000 0.2723000       10.60000      0.2677000      0.8258000E-01  0.3818000
  1 1 1       2    9   19 o    10.07000      0.1898000       9.925000 0.2698000       10.21000      0.2672000     -0.2854000      0.3797000
  1 1 1       2    9   20 o    8.051000      0.1920000       8.249000 0.2691000       7.852000      0.2740000      0.3963000      0.3840000
  1 1 1       2    9   21 o    7.850000      0.2466000       7.561000 0.2872000       8.139000      0.4008000     -0.5782000      0.4931000
  1 1 1       2    9   22 o    10.53000      0.2055000       10.59000 0.2928000       10.47000      0.2884000      0.1185000      0.4110000
  1 1 1       2    9   23 o    5.138000      0.2495000       5.484000 0.3393000       4.792000      0.3659000      0.6922000      0.4990000
  1 1 1       2    9   24 o    8.429000      0.2106000       8.323000 0.2976000       8.536000      0.2982000     -0.2137000      0.4213000
  1 1 1       2    9   25 o    9.239000      0.2498000       9.452000 0.3917000       9.026000      0.3100000      0.4262000      0.4996000
  1 1 1       2    9   26 o    7.151000      0.2288000       6.883000 0.3081000       7.420000      0.3384000     -0.5368000      0.4576000
  1 1 1       2    9   27 o    2.568000      0.5799000       2.603000 0.7885000       2.533000      0.8504000      0.6957000E-01   1.160000
  1 1 1       2    9   28 o    5.737000      0.3818000       5.338000 0.5252000       6.136000      0.5543000     -0.7982000      0.7636000
  1 1 1       2    9   29 o    4.541000      0.3460000       4.939000 0.3999000       4.143000      0.5647000      0.7962000      0.6919000
  1 1 1       2    9   30 o    2.785000      0.5730000       3.328000 0.8779000       2.243000      0.7367000       1.085000       1.146000
  1 1 1       2    9   31 o    4.990000      0.5183000       4.814000 0.7408000       5.166000      0.7249000     -0.3515000       1.037000
  1 1 1       2    9   32 o    10.13000      0.2629000       10.30000 0.3501000       9.949000      0.3923000      0.3542000      0.5258000
  1 1 1       2    9   33 o    2.089000      0.5783000       1.946000 0.7637000       2.232000      0.8685000     -0.2853000       1.157000
  1 1 1       2    9   34 o    3.856000      0.4904000       2.929000 0.7637000       4.784000      0.6153000      -1.855000      0.9807000
  1 1 1       2    9   35 o    2.998000      0.5759000       2.464000 0.8036000       3.531000      0.8252000      -1.066000       1.152000
  1 1 1       2    9   36 o    2.838000      0.5778000       2.683000 0.7948000       2.994000      0.8388000     -0.3115000       1.156000
  1 1 1       2    9   37 o    2.984000      0.5689000       3.515000 0.7585000       2.452000      0.8481000       1.063000       1.138000
  1 1 1       2   10    0 o    27.91000      0.3851000       27.98000 0.5398000       27.85000      0.5494000      0.1331000      0.7702000
  1 1 1       2   10    1 o    24.26000      0.3534000       24.16000 0.4824000       24.37000      0.5167000     -0.2111000      0.7069000
  1 1 1       2   10    2 o    24.23000      0.5585000       23.98000 0.6785000       24.47000      0.8873000     -0.4927000       1.117000
  1 1 1       2   10    3 o    23.44000      0.5190000       23.39000 0.6632000       23.50000      0.7985000     -0.1067000       1.038000
  1 1 1       2   10    4 o    27.70000      0.5559000       27.84000 0.7690000       27.56000      0.8030000      0.2789000       1.112000
  1 1 1       2   10    5 o    35.15000      0.6781000       35.10000 0.9494000       35.20000      0.9684000     -0.9905000E-01   1.356000
  1 1 1       2   10    6 o    35.31000      0.6746000       36.18000 0.9743000       34.44000      0.9333000       1.741000       1.349000
  1 1 1       2   10    7 o    6.782000      0.2201000       7.181000 0.2896000       6.383000      0.3315000      0.7982000      0.4401000
  1 1 1       2   10    8 o    19.54000      0.2750000       19.22000 0.3868000       19.86000      0.3910000     -0.6352000      0.5500000
  1 1 1       2   10    9 o    2.338000      0.2965000       2.098000 0.4729000       2.579000      0.3579000     -0.4804000      0.5931000
  1 1 1       2   10   10 o    2.204000      0.2946000       2.244000 0.4139000       2.165000      0.4194000      0.7891000E-01  0.5893000
  1 1 1       2   10   11 o    14.14000      0.2079000       14.18000 0.2960000       14.11000      0.2921000      0.6483000E-01  0.4158000
  1 1 1       2   10   12 o    5.034000      0.1582000       5.106000 0.2250000       4.961000      0.2224000      0.1447000      0.3164000
  1 1 1       2   10   13 o    6.583000      0.1546000       6.592000 0.2188000       6.574000      0.2186000      0.1775000E-01  0.3093000
  1 1 1       2   10   14 f    6.049000      0.1616000       6.068000 0.2245000       6.029000      0.2324000      0.3911000E-01  0.3231000
  1 1 1       2   10   15 o    7.126000      0.1627000       7.389000 0.2311000       6.862000      0.2292000      0.5277000      0.3255000
  1 1 1       2   10   16 o    5.068000      0.1880000       4.772000 0.2764000       5.364000      0.2549000     -0.5923000      0.3760000
  1 1 1       2   10   17 o    9.339000      0.1811000       9.293000 0.2614000       9.384000      0.2508000     -0.9103000E-01  0.3622000
  1 1 1       2   10   18 o    8.141000      0.1795000       8.216000 0.2608000       8.065000      0.2467000      0.1517000      0.3590000
  1 1 1       2   10   19 o    5.051000      0.2116000       4.918000 0.3014000       5.184000      0.2970000     -0.2662000      0.4231000
  1 1 1       2   10   20 o    9.294000      0.1943000       9.033000 0.2742000       9.554000      0.2754000     -0.5207000      0.3886000
  1 1 1       2   10   21 o    4.154000      0.2668000       4.035000 0.3860000       4.272000      0.3684000     -0.2375000      0.5336000
  1 1 1       2   10   22 o    8.891000      0.2014000       8.831000 0.2885000       8.951000      0.2811000     -0.1197000      0.4028000
  1 1 1       2   10   23 o    8.843000      0.2070000       8.957000 0.2956000       8.729000      0.2899000      0.2275000      0.4140000
  1 1 1       2   10   24 o    5.715000      0.2454000       5.452000 0.3587000       5.978000      0.3348000     -0.5254000      0.4907000
  1 1 1       2   10   25 o    7.087000      0.2745000       7.094000 0.3321000       7.080000      0.4372000      0.1417000E-01  0.5490000
  1 1 1       2   10   26 o    8.037000      0.3034000       8.423000 0.3995000       7.650000      0.4568000      0.7733000      0.6068000
  1 1 1       2   10   27 o    2.347000      0.5198000       1.969000 0.7734000       2.726000      0.6946000     -0.7569000       1.040000
  1 1 1       2   10   28 o    1.745000      0.4959000       1.527000 0.6444000       1.963000      0.7539000     -0.4359000      0.9918000
  1 1 1       2   10   29 o    2.422000      0.6207000       2.735000 0.8830000       2.108000      0.8726000      0.6275000       1.241000
  1 1 1       2   10   30 o    4.702000      0.5353000       4.608000 0.7154000       4.795000      0.7965000     -0.1869000       1.071000
  1 1 1       2   10   31 o    4.721000      0.3863000       4.876000 0.4812000       4.566000      0.6044000      0.3102000      0.7726000
  1 1 1       2   10   32 o    3.797000      0.4724000       3.345000 0.6432000       4.250000      0.6919000     -0.9053000      0.9447000
  1 1 1       2   10   33 o    3.130000      0.5522000       2.554000 0.7817000       3.706000      0.7802000      -1.152000       1.104000
  1 1 1       2   10   34 o    3.202000      0.5375000       2.526000 0.7859000       3.878000      0.7336000      -1.352000       1.075000
  1 1 1       2   10   35 o    1.956000      0.5624000       1.748000 0.7331000       2.165000      0.8529000     -0.4168000       1.125000
  1 1 1       2   10   36 o    2.678000      0.5965000       2.688000 0.8279000       2.668000      0.8589000      0.1974000E-01   1.193000
  1 1 1       2   11    0 o    14.85000      0.2826000       15.35000 0.4544000       14.34000      0.3362000       1.001000      0.5652000
  1 1 1       2   11    1 o    15.35000      0.2750000       15.43000 0.3677000       15.27000      0.4090000      0.1603000      0.5499000
  1 1 1       2   11    2 o    8.944000      0.2569000       8.531000 0.3863000       9.358000      0.3388000     -0.8270000      0.5138000
  1 1 1       2   11    3 o    8.428000      0.3079000       8.240000 0.4337000       8.615000      0.4372000     -0.3743000      0.6158000
  1 1 1       2   11    4 o    12.06000      0.3967000       11.95000 0.4177000       12.16000      0.6746000     -0.2047000      0.7934000
  1 1 1       2   11    5 o    16.43000      0.3395000       16.69000 0.4146000       16.17000      0.5377000      0.5160000      0.6790000
  1 1 1       2   11    6 o    8.510000      0.2106000       8.889000 0.3046000       8.132000      0.2911000      0.7564000      0.4213000
  1 1 1       2   11    7 o    16.99000      0.2583000       16.97000 0.3773000       17.00000      0.3527000     -0.2952000E-01  0.5165000
  1 1 1       2   11    8 o    5.982000      0.1752000       5.899000 0.2581000       6.064000      0.2372000     -0.1653000      0.3505000
  1 1 1       2   11    9 o    17.84000      0.3081000       18.02000 0.5040000       17.65000      0.3546000      0.3691000      0.6163000
  1 1 1       2   11   10 o    13.56000      0.2047000       13.78000 0.2963000       13.35000      0.2826000      0.4325000      0.4095000
  1 1 1       2   11   11 o    5.351000      0.1631000       5.337000 0.2404000       5.366000      0.2205000     -0.2886000E-01  0.3263000
  1 1 1       2   11   12 o    13.96000      0.2075000       13.95000 0.2941000       13.97000      0.2927000     -0.1741000E-01  0.4149000
  1 1 1       2   11   13 o    8.278000      0.1613000       8.311000 0.2301000       8.246000      0.2259000      0.6535000E-01  0.3225000
  1 1 1       2   11   14 o    6.773000      0.1634000       6.795000 0.2331000       6.751000      0.2292000      0.4482000E-01  0.3269000
  1 1 1       2   11   15 o    4.767000      0.1894000       4.790000 0.2638000       4.744000      0.2718000      0.4647000E-01  0.3787000
  1 1 1       2   11   16 o    3.274000      0.2591000       3.524000 0.3508000       3.024000      0.3813000      0.4999000      0.5182000
  1 1 1       2   11   17 o    2.939000      0.3214000       2.508000 0.5228000       3.371000      0.3741000     -0.8636000      0.6429000
  1 1 1       2   11   18 o    4.260000      0.2284000       4.260000 0.3206000       4.261000      0.3255000     -0.1550000E-02  0.4569000
  1 1 1       2   11   19 o    3.966000      0.2522000       4.068000 0.3410000       3.864000      0.3717000      0.2043000      0.5045000
  1 1 1       2   11   20 o    2.273000      0.4014000       1.969000 0.5891000       2.577000      0.5454000     -0.6082000      0.8028000
  1 1 1       2   11   21 o    4.063000      0.2685000       4.023000 0.3819000       4.103000      0.3775000     -0.8091000E-01  0.5370000
  1 1 1       2   11   22 o    4.938000      0.2492000       4.751000 0.3569000       5.125000      0.3479000     -0.3743000      0.4984000
  1 1 1       2   11   23 o    8.727000      0.2061000       8.607000 0.2949000       8.847000      0.2881000     -0.2396000      0.4122000
  1 1 1       2   11   24 o    8.169000      0.2813000       7.956000 0.3871000       8.383000      0.4084000     -0.4274000      0.5627000
  1 1 1       2   11   25 o    10.99000      0.2935000       11.00000 0.4035000       10.98000      0.4263000      0.1905000E-01  0.5869000
  1 1 1       2   11   26 o    6.470000      0.2527000       5.989000 0.3701000       6.952000      0.3441000     -0.9640000      0.5053000
  1 1 1       2   11   27 o    3.418000      0.3973000       3.577000 0.5024000       3.259000      0.6157000      0.3183000      0.7947000
  1 1 1       2   11   28 o    2.657000      0.6864000       3.390000 1.084000       1.923000      0.8425000       1.467000       1.373000
  1 1 1       2   11   29 o    9.474000      0.2389000       9.491000 0.3274000       9.458000      0.3481000      0.3291000E-01  0.4778000
  1 1 1       2   11   30 o    5.252000      0.3229000       5.166000 0.4413000       5.338000      0.4716000     -0.1719000      0.6459000
  1 1 1       2   11   31 o    5.783000      0.3252000       5.777000 0.4214000       5.789000      0.4956000     -0.1151000E-01  0.6505000
  1 1 1       2   11   32 o    6.228000      0.3241000       6.389000 0.3994000       6.066000      0.5106000      0.3230000      0.6482000
  1 1 1       2   11   33 o    6.537000      0.3098000       6.065000 0.4144000       7.008000      0.4607000     -0.9429000      0.6197000
  1 1 1       2   11   34 o    2.533000      0.5876000       2.396000 0.7699000       2.670000      0.8880000     -0.2742000       1.175000
  1 1 1       2   11   35 o    2.903000      0.5652000       2.298000 0.7948000       3.508000      0.8037000      -1.210000       1.130000
  1 1 1       2   11   36 f    2.392000      0.5812000       2.119000 0.8055000       2.664000      0.8381000     -0.5447000       1.162000
  1 1 1       2   12    0 o    6.354000      0.1997000       6.428000 0.2757000       6.279000      0.2888000      0.1488000      0.3993000
  1 1 1       2   12    1 o    33.06000      0.4766000       32.66000 0.6459000       33.45000      0.7009000     -0.7976000      0.9531000
  1 1 1       2   12    2 f    9.497000      0.2822000       9.258000 0.4250000       9.735000      0.3713000     -0.4769000      0.5643000
  1 1 1       2   12    3 o    11.85000      0.3136000       11.88000 0.4462000       11.81000      0.4408000      0.7041000E-01  0.6272000
  1 1 1       2   12    4 o    22.57000      0.4729000       22.72000 0.5539000       22.41000      0.7667000      0.3081000      0.9459000
  1 1 1       2   12    5 o    4.903000      0.3550000       5.267000 0.4022000       4.538000      0.5852000      0.7282000      0.7101000
  1 1 1       2   12    6 o    6.035000      0.2581000       6.020000 0.3359000       6.050000      0.3919000     -0.2999000E-01  0.5162000
  1 1 1       2   12    7 o    1.299000      0.3956000       1.423000 0.5804000       1.176000      0.5378000      0.2471000      0.7913000
  1 1 1       2   12    8 o    7.280000      0.1906000       7.325000 0.2806000       7.236000      0.2580000      0.8909000E-01  0.3812000
  1 1 1       2   12    9 o    9.583000      0.1831000       9.463000 0.2675000       9.704000      0.2500000     -0.2410000      0.3661000
  1 1 1       2   12   10 o    7.209000      0.1669000       7.076000 0.2453000       7.342000      0.2265000     -0.2662000      0.3339000
  1 1 1       2   12   11 o    17.49000      0.2522000       17.84000 0.3653000       17.15000      0.3477000      0.6856000      0.5043000
  1 1 1       2   12   12 o    2.949000      0.2730000       3.149000 0.3781000       2.748000      0.3938000      0.4009000      0.5460000
  1 1 1       2   12   13 o    8.442000      0.1641000       8.258000 0.2326000       8.626000      0.2316000     -0.3677000      0.3282000
  1 1 1       2   12   14 o    2.759000      0.2928000       2.557000 0.4460000       2.960000      0.3793000     -0.4031000      0.5855000
  1 1 1       2   12   15 o    2.623000      0.4640000       2.623000 0.4640000                  ?              ?              ?              ?
  1 1 1       2   12   16 o    2.002000      0.3913000       2.130000 0.5507000       1.874000      0.5561000      0.2563000      0.7826000
  1 1 1       2   12   17 o    4.381000      0.3136000                  ?       ?   4.381000      0.3136000                  ?              ?
  1 1 1       2   12   18 o    5.914000      0.1953000       5.546000 0.2910000       6.283000      0.2606000     -0.7370000      0.3906000
  1 1 1       2   12   19 o    4.143000      0.2532000       4.077000 0.3623000       4.208000      0.3539000     -0.1313000      0.5065000
  1 1 1       2   12   20 o    1.653000      0.4343000       1.833000 0.6339000       1.473000      0.5937000      0.3600000      0.8686000
  1 1 1       2   12   21 o    3.971000      0.2896000       4.034000 0.3963000       3.909000      0.4223000      0.1244000      0.5791000
  1 1 1       2   12   22 o    2.183000      0.4407000       1.287000 0.5883000       3.078000      0.6563000      -1.791000      0.8814000
  1 1 1       2   12   23 o    5.434000      0.3152000       5.502000 0.4376000       5.366000      0.4539000      0.1357000      0.6305000
  1 1 1       2   12   24 o    12.01000      0.2258000       11.90000 0.3213000       12.11000      0.3174000     -0.2082000      0.4516000
  1 1 1       2   12   25 o    9.971000      0.2266000       10.08000 0.3313000       9.864000      0.3092000      0.2140000      0.4532000
  1 1 1       2   12   26 o    11.02000      0.3686000       10.77000 0.5555000       11.26000      0.4846000     -0.4889000      0.7371000
  1 1 1       2   12   27 o    3.898000      0.6572000       4.422000 1.006000       3.374000      0.8458000       1.048000       1.314000
  1 1 1       2   12   28 o    5.231000      0.3250000       5.578000 0.4284000       4.884000      0.4889000      0.6946000      0.6500000
  1 1 1       2   12   29 o    7.322000      0.2718000       7.402000 0.3871000       7.242000      0.3815000      0.1609000      0.5435000
  1 1 1       2   12   30 o    2.366000      0.5700000       2.098000 0.7946000       2.634000      0.8174000     -0.5364000       1.140000
  1 1 1       2   12   31 o    7.515000      0.2772000       7.457000 0.3648000       7.573000      0.4175000     -0.1163000      0.5544000
  1 1 1       2   12   32 o    4.529000      0.4016000       3.983000 0.5743000       5.075000      0.5615000      -1.091000      0.8032000
  1 1 1       2   12   33 o    5.435000      0.3688000       5.630000 0.4393000       5.240000      0.5926000      0.3906000      0.7377000
  1 1 1       2   12   34 o    4.488000      0.4286000       4.650000 0.5247000       4.326000      0.6778000      0.3247000      0.8572000
  1 1 1       2   12   35 o    4.390000      0.4467000       4.471000 0.5688000       4.310000      0.6890000      0.1602000      0.8934000
  1 1 1       2   12   36 o    1.973000      0.5759000       1.882000 0.7849000       2.063000      0.8428000     -0.1808000       1.152000
  1 1 1       2   13    0 o    9.286000      0.2188000       9.353000 0.3024000       9.218000      0.3162000      0.1350000      0.4376000
  1 1 1       2   13    1 o    12.76000      0.2732000       13.45000 0.3863000       12.07000      0.3865000       1.378000      0.5465000
  1 1 1       2   13    2 o    15.09000      0.4006000       14.94000 0.6443000       15.24000      0.4761000     -0.2945000      0.8011000
  1 1 1       2   13    3 o    16.11000      0.3363000       16.12000 0.4734000       16.10000      0.4778000      0.1579000E-01  0.6726000
  1 1 1       2   13    4 o    5.361000      0.4980000       5.366000 0.6740000       5.356000      0.7334000      0.1010000E-01  0.9960000
  1 1 1       2   13    5 o    4.803000      0.4149000       5.162000 0.4744000       4.443000      0.6809000      0.7187000      0.8298000
  1 1 1       2   13    6 o    2.625000      0.5445000       2.230000 0.7221000       3.021000      0.8153000     -0.7915000       1.089000
  1 1 1       2   13    7 o    9.728000      0.2216000       9.890000 0.3258000       9.565000      0.3006000      0.3253000      0.4433000
  1 1 1       2   13    8 o    6.932000      0.2138000       7.021000 0.3060000       6.843000      0.2988000      0.1784000      0.4276000
  1 1 1       2   13    9 o    8.179000      0.1875000       8.121000 0.2771000       8.236000      0.2526000     -0.1144000      0.3750000
  1 1 1       2   13   10 o    14.39000      0.2250000       14.25000 0.3220000       14.54000      0.3143000     -0.2885000      0.4499000
  1 1 1       2   13   11 o    6.210000      0.1806000       6.158000 0.2698000       6.262000      0.2402000     -0.1041000      0.3612000
  1 1 1       2   13   12 o    9.133000      0.1769000       9.072000 0.2572000       9.193000      0.2431000     -0.1210000      0.3539000
  1 1 1       2   13   13 o    5.249000      0.1925000       5.274000 0.2808000       5.223000      0.2635000      0.5093000E-01  0.3851000
  1 1 1       2   13   14 o    7.494000      0.1733000       7.438000 0.2489000       7.551000      0.2410000     -0.1133000      0.3465000
  1 1 1       2   13   15 o    1.841000      0.5801000       1.841000 0.5801000                  ?              ?              ?              ?
  1 1 1       2   13   16 o    5.745000      0.1931000       5.786000 0.2823000       5.705000      0.2637000      0.8166000E-01  0.3863000
  1 1 1       2   13   17 o    7.238000      0.2538000                  ?       ?   7.238000      0.2538000                  ?              ?
  1 1 1       2   13   18 o    7.829000      0.1900000       7.851000 0.2770000       7.806000      0.2601000      0.4570000E-01  0.3800000
  1 1 1       2   13   19 o    2.369000      0.4110000       2.711000 0.5474000       2.028000      0.6131000      0.6830000      0.8219000
  1 1 1       2   13   20 o    3.721000      0.3879000       3.703000 0.5154000       3.739000      0.5798000     -0.3537000E-01  0.7757000
  1 1 1       2   13   21 o    1.785000      0.4846000       2.092000 0.7142000       1.479000      0.6552000      0.6131000      0.9692000
  1 1 1       2   13   22 o    6.624000      0.2251000       6.693000 0.3164000       6.554000      0.3204000      0.1393000      0.4503000
  1 1 1       2   13   23 o    2.276000      0.4336000       2.984000 0.5858000       1.567000      0.6394000       1.417000      0.8671000
  1 1 1       2   13   24 o    2.360000      0.6130000       1.915000 0.8730000       2.805000      0.8608000     -0.8896000       1.226000
  1 1 1       2   13   25 o    10.63000      0.3614000       10.18000 0.5458000       11.08000      0.4738000     -0.9064000      0.7228000
  1 1 1       2   13   26 o    2.210000      0.5162000       1.839000 0.7235000       2.581000      0.7364000     -0.7419000       1.032000
  1 1 1       2   13   27 o    7.460000      0.2496000       7.069000 0.3682000       7.852000      0.3371000     -0.7835000      0.4992000
  1 1 1       2   13   28 o    3.907000      0.4069000       3.758000 0.5755000       4.057000      0.5756000     -0.2993000      0.8139000
  1 1 1       2   13   29 o    1.678000      0.5052000       1.871000 0.7526000       1.485000      0.6743000      0.3862000       1.010000
  1 1 1       2   13   30 o    6.723000      0.3026000       6.679000 0.4200000       6.768000      0.4358000     -0.8915000E-01  0.6052000
  1 1 1       2   13   31 o    2.595000      0.5859000       2.629000 0.8190000       2.562000      0.8381000      0.6760000E-01   1.172000
  1 1 1       2   13   32 o    5.619000      0.3483000       5.580000 0.4742000       5.657000      0.5103000     -0.7681000E-01  0.6966000
  1 1 1       2   13   33 o    2.662000      0.5213000       3.522000 0.6890000       1.803000      0.7826000       1.719000       1.043000
  1 1 1       2   13   34 o    2.407000      0.5787000       2.819000 0.8374000       1.994000      0.7989000      0.8250000       1.157000
  1 1 1       2   13   35 o    5.288000      0.3985000       5.593000 0.5137000       4.984000      0.6093000      0.6090000      0.7970000
  1 1 1       2   14    0 o    21.85000      0.4199000       21.36000 0.6519000       22.33000      0.5294000     -0.9680000      0.8398000
  1 1 1       2   14    1 o    19.63000      0.3426000       19.55000 0.4573000       19.71000      0.5104000     -0.1559000      0.6853000
  1 1 1       2   14    2 o    13.39000      0.3033000       13.21000 0.4271000       13.57000      0.4306000     -0.3595000      0.6065000
  1 1 1       2   14    3 o    5.589000      0.5489000       4.976000 0.8521000       6.202000      0.6921000      -1.225000       1.098000
  1 1 1       2   14    4 o    8.699000      0.3941000       8.753000 0.5519000       8.645000      0.5628000      0.1082000      0.7882000
  1 1 1       2   14    5 o    8.261000      0.4127000       8.498000 0.4323000       8.023000      0.7032000      0.4750000      0.8255000
  1 1 1       2   14    6 o    11.50000      0.2883000       12.07000 0.4191000       10.94000      0.3959000       1.128000      0.5765000
  1 1 1       2   14    7 o    5.232000      0.2737000       5.359000 0.3662000       5.106000      0.4068000      0.2527000      0.5474000
  1 1 1       2   14    8 o    2.841000      0.4287000       2.935000 0.5572000       2.746000      0.6516000      0.1897000      0.8573000
  1 1 1       2   14    9 o    10.59000      0.2142000       10.78000 0.3225000       10.39000      0.2821000      0.3960000      0.4285000
  1 1 1       2   14   10 o    11.42000      0.2113000       11.45000 0.3086000       11.39000      0.2888000      0.6178000E-01  0.4226000
  1 1 1       2   14   11 o    10.49000      0.1939000       10.57000 0.2878000       10.42000      0.2597000      0.1480000      0.3877000
  1 1 1       2   14   12 o    7.428000      0.1821000       7.397000 0.2695000       7.458000      0.2450000     -0.6095000E-01  0.3643000
  1 1 1       2   14   13 o    2.807000      0.3428000       2.508000 0.5609000       3.105000      0.3942000     -0.5973000      0.6856000
  1 1 1       2   14   14 o    4.472000      0.2284000       4.472000 0.3384000       4.472000      0.3068000     -0.5960000E-03  0.4568000
  1 1 1       2   14   15 o    6.506000      0.1824000       6.871000 0.2672000       6.140000      0.2485000      0.7302000      0.3649000
  1 1 1       2   14   16 o    8.170000      0.1856000       8.294000 0.2673000       8.046000      0.2577000      0.2481000      0.3713000
  1 1 1       2   14   18 o    12.82000      0.2945000       12.90000 0.4188000       12.75000      0.4143000      0.1519000      0.5891000
  1 1 1       2   14   19 o    5.401000      0.2559000       5.583000 0.4047000       5.220000      0.3132000      0.3626000      0.5118000
  1 1 1       2   14   20 o    4.623000      0.2576000       4.843000 0.3577000       4.403000      0.3709000      0.4401000      0.5153000
  1 1 1       2   14   21 o    3.832000      0.3203000       3.773000 0.4696000       3.891000      0.4359000     -0.1174000      0.6407000
  1 1 1       2   14   22 o    13.93000      0.3516000       13.74000 0.5172000       14.12000      0.4765000     -0.3819000      0.7033000
  1 1 1       2   14   23 o    5.845000      0.4151000       6.155000 0.6473000       5.534000      0.5197000      0.6203000      0.8301000
  1 1 1       2   14   24 o    3.152000      0.4191000       3.210000 0.5901000       3.093000      0.5953000      0.1174000      0.8382000
  1 1 1       2   14   25 o    14.83000      0.2528000       14.68000 0.3591000       14.98000      0.3559000     -0.2990000      0.5056000
  1 1 1       2   14   26 o    3.163000      0.4478000       3.179000 0.6157000       3.147000      0.6504000      0.3230000E-01  0.8956000
  1 1 1       2   14   27 o    3.738000      0.4121000       3.376000 0.6126000       4.101000      0.5514000     -0.7255000      0.8243000
  1 1 1       2   14   28 o    4.347000      0.3766000       4.812000 0.4721000       3.882000      0.5870000      0.9298000      0.7533000
  1 1 1       2   14   29 o    1.690000      0.5118000       1.536000 0.6843000       1.843000      0.7613000     -0.3065000       1.024000
  1 1 1       2   14   30 o    2.602000      0.5848000       2.490000 0.8255000       2.714000      0.8287000     -0.2240000       1.170000
  1 1 1       2   14   31 o    4.124000      0.4753000       4.552000 0.6197000       3.697000      0.7209000      0.8552000      0.9507000
  1 1 1       2   14   32 o    5.689000      0.3612000       5.352000 0.5349000       6.027000      0.4854000     -0.6744000      0.7224000
  1 1 1       2   14   33 o    2.591000      0.5834000       2.051000 0.8084000       3.132000      0.8414000      -1.082000       1.167000
  1 1 1       2   14   34 o    2.351000      0.6409000       2.391000 0.9383000       2.312000      0.8731000      0.7805000E-01   1.282000
  1 1 1       2   14   35 o    3.152000      0.5691000       2.491000 0.8479000       3.812000      0.7592000      -1.321000       1.138000
  1 1 1       2   15    0 o    6.035000      0.2793000       6.336000 0.4202000       5.733000      0.3679000      0.6033000      0.5585000
  1 1 1       2   15    1 o    5.185000      0.4577000       5.584000 0.7311000       4.787000      0.5508000      0.7970000      0.9153000
  1 1 1       2   15    2 o    12.93000      0.3067000       13.34000 0.4389000       12.52000      0.4285000      0.8241000      0.6134000
  1 1 1       2   15    3 f    13.44000      0.3570000       12.95000 0.5162000       13.94000      0.4934000     -0.9914000      0.7141000
  1 1 1       2   15    4 o    9.484000      0.3955000       9.720000 0.5402000       9.247000      0.5777000      0.4725000      0.7909000
  1 1 1       2   15    5 o    2.951000      0.6348000       2.838000 0.7949000       3.063000      0.9899000     -0.2253000       1.270000
  1 1 1       2   15    6 o    8.459000      0.3057000       8.292000 0.4214000       8.626000      0.4429000     -0.3339000      0.6113000
  1 1 1       2   15    7 o    2.910000      0.4975000       2.849000 0.6392000       2.972000      0.7625000     -0.1228000      0.9949000
  1 1 1       2   15    8 o    2.911000      0.4840000       2.536000 0.6934000       3.286000      0.6754000     -0.7499000      0.9680000
  1 1 1       2   15    9 o    5.258000      0.2539000       5.331000 0.3533000       5.184000      0.3647000      0.1472000      0.5078000
  1 1 1       2   15   10 f    1.405000      0.4146000       1.542000 0.6147000       1.267000      0.5564000      0.2754000      0.8292000
  1 1 1       2   15   11 o    9.391000      0.2049000       9.437000 0.3044000       9.345000      0.2743000      0.9148000E-01  0.4098000
  1 1 1       2   15   12 o    1.866000      0.4318000       1.973000 0.6324000       1.760000      0.5882000      0.2131000      0.8637000
  1 1 1       2   15   13 o    11.14000      0.2012000       11.08000 0.2917000       11.20000      0.2773000     -0.1250000      0.4024000
  1 1 1       2   15   14 o    6.566000      0.3399000       6.350000 0.5192000       6.781000      0.4388000     -0.4316000      0.6798000
  1 1 1       2   15   15 o    5.515000      0.3282000       5.773000 0.4607000       5.258000      0.4674000      0.5155000      0.6563000
  1 1 1       2   15   16 o    4.019000      0.3790000       4.112000 0.5502000       3.927000      0.5214000      0.1853000      0.7580000
  1 1 1       2   15   17 o    5.129000      0.2334000       4.707000 0.3639000       5.550000      0.2924000     -0.8425000      0.4668000
  1 1 1       2   15   18 o    3.617000      0.3325000       3.582000 0.5062000       3.652000      0.4314000     -0.6992000E-01  0.6651000
  1 1 1       2   15   19 f    10.84000      0.3088000       10.77000 0.4553000       10.90000      0.4173000     -0.1307000      0.6175000
  1 1 1       2   15   20 o    3.837000      0.5404000       3.612000 0.8782000       4.062000      0.6301000     -0.4500000       1.081000
  1 1 1       2   15   21 o    6.268000      0.2896000       5.430000 0.3588000       7.107000      0.4546000      -1.676000      0.5792000
  1 1 1       2   15   22 o    1.489000      0.4478000       1.576000 0.6618000       1.401000      0.6034000      0.1753000      0.8956000
  1 1 1       2   15   23 o    12.25000      0.2304000       12.43000 0.3331000       12.08000      0.3184000      0.3536000      0.4608000
  1 1 1       2   15   24 o    5.729000      0.2719000       5.735000 0.3893000       5.722000      0.3797000      0.1358000E-01  0.5438000
  1 1 1       2   15   25 o    6.381000      0.2594000       6.293000 0.3693000       6.469000      0.3642000     -0.1766000      0.5187000
  1 1 1       2   15   26 o    10.72000      0.2326000       10.41000 0.3289000       11.03000      0.3291000     -0.6205000      0.4653000
  1 1 1       2   15   27 o    3.601000      0.5037000       4.255000 0.5038000       2.948000      0.8725000       1.307000       1.007000
  1 1 1       2   15   28 o    5.060000      0.3394000       5.029000 0.4752000       5.091000      0.4846000     -0.6231000E-01  0.6787000
  1 1 1       2   15   29 o    4.844000      0.3759000       5.224000 0.4954000       4.464000      0.5655000      0.7601000      0.7518000
  1 1 1       2   15   30 o    2.281000      0.5949000       2.265000 0.8379000       2.297000      0.8447000     -0.3279000E-01   1.190000
  1 1 1       2   15   31 o    2.493000      0.6067000       2.443000 0.8595000       2.543000      0.8564000     -0.1008000       1.213000
  1 1 1       2   15   32 o    2.459000      0.6129000       2.442000 0.8691000       2.476000      0.8644000     -0.3486000E-01   1.226000
  1 1 1       2   15   33 o    3.422000      0.5752000       3.201000 0.8583000       3.643000      0.7659000     -0.4419000       1.150000
  1 1 1       2   15   34 o    2.816000      0.6080000       2.566000 0.8445000       3.066000      0.8750000     -0.5004000       1.216000
  1 1 1       2   16    0 o    6.563000      0.5445000       6.046000 1.030000       7.080000      0.3535000      -1.034000       1.089000
  1 1 1       2   16    1 o    10.05000      0.3236000       10.08000 0.4947000       10.01000      0.4171000      0.7171000E-01  0.6471000
  1 1 1       2   16    2 o    5.396000      0.5216000       4.580000 0.9082000       6.213000      0.5135000      -1.632000       1.043000
  1 1 1       2   16    3 o    7.507000      0.4633000       7.258000 0.6888000       7.756000      0.6198000     -0.4985000      0.9266000
  1 1 1       2   16    4 o    4.913000      0.6491000       5.458000 0.7418000       4.368000       1.065000       1.089000       1.298000
  1 1 1       2   16    5 o    6.725000      0.3902000       7.239000 0.4558000       6.211000      0.6334000       1.028000      0.7804000
  1 1 1       2   16    6 o    6.746000      0.3988000       7.773000 0.4399000       5.719000      0.6653000       2.054000      0.7976000
  1 1 1       2   16    7 o    3.832000      0.4594000       3.431000 0.6608000       4.232000      0.6383000     -0.8008000      0.9188000
  1 1 1       2   16    8 o    4.913000      0.3578000       5.036000 0.4461000       4.790000      0.5596000      0.2464000      0.7156000
  1 1 1       2   16    9 o    11.12000      0.2548000       11.52000 0.3916000       10.73000      0.3261000      0.7910000      0.5096000
  1 1 1       2   16   10 o    2.320000      0.6968000       2.119000 1.005000       2.521000      0.9656000     -0.4026000       1.394000
  1 1 1       2   16   11 o    5.408000      0.7246000       3.794000 1.323000       7.023000      0.5916000      -3.229000       1.449000
  1 1 1       2   16   12 o    3.301000      0.6334000       2.292000 0.9773000       4.311000      0.8061000      -2.019000       1.267000
  1 1 1       2   16   13 f    3.890000      0.4724000       3.320000 0.8947000       4.460000      0.3038000      -1.140000      0.9449000
  1 1 1       2   16   14 o    12.43000      0.2129000       12.31000 0.3046000       12.56000      0.2976000     -0.2530000      0.4258000
  1 1 1       2   16   15 o    8.477000      0.2015000       8.279000 0.2939000       8.675000      0.2756000     -0.3960000      0.4029000
  1 1 1       2   16   16 o    7.454000      0.2479000       8.011000 0.4139000       6.898000      0.2731000       1.113000      0.4958000
  1 1 1       2   16   17 o    6.611000      0.3112000       6.740000 0.4623000       6.483000      0.4167000      0.2571000      0.6224000
  1 1 1       2   16   18 o    7.781000      0.3229000       7.573000 0.4949000       7.989000      0.4149000     -0.4160000      0.6458000
  1 1 1       2   16   19 o    5.040000      0.2671000       5.172000 0.3918000       4.909000      0.3631000      0.2633000      0.5342000
  1 1 1       2   16   20 o    9.476000      0.2141000       9.424000 0.3136000       9.527000      0.2917000     -0.1037000      0.4282000
  1 1 1       2   16   21 o    6.905000      0.2337000       6.916000 0.3400000       6.894000      0.3205000      0.2281000E-01  0.4673000
  1 1 1       2   16   22 o    10.85000      0.2189000       10.91000 0.3152000       10.79000      0.3039000      0.1211000      0.4378000
  1 1 1       2   16   23 o    9.824000      0.2255000       9.779000 0.3276000       9.869000      0.3100000     -0.9019000E-01  0.4510000
  1 1 1       2   16   24 o    5.460000      0.2905000       5.780000 0.4016000       5.140000      0.4198000      0.6396000      0.5810000
  1 1 1       2   16   25 o    8.304000      0.2402000       8.197000 0.3481000       8.412000      0.3311000     -0.2143000      0.4805000
  1 1 1       2   16   26 o    7.767000      0.2473000       7.833000 0.3586000       7.701000      0.3406000      0.1319000      0.4946000
  1 1 1       2   16   27 o    6.588000      0.2860000       6.838000 0.4055000       6.339000      0.4034000      0.4997000      0.5720000
  1 1 1       2   16   28 o    1.767000      0.5269000       1.831000 0.7483000       1.703000      0.7420000      0.1272000       1.054000
  1 1 1       2   16   29 f    5.849000      0.3311000       5.936000 0.4674000       5.762000      0.4692000      0.1739000      0.6622000
  1 1 1       2   16   30 o    2.628000      0.6125000       2.439000 0.8698000       2.817000      0.8627000     -0.3776000       1.225000
  1 1 1       2   16   31 o    4.007000      0.5030000       3.784000 0.7623000       4.230000      0.6564000     -0.4461000       1.006000
  1 1 1       2   16   32 o    4.115000      0.5071000       3.800000 0.7795000       4.430000      0.6488000     -0.6299000       1.014000
  1 1 1       2   16   33 o    2.376000      0.6226000       1.893000 0.8745000       2.858000      0.8864000     -0.9658000       1.245000
  1 1 1       2   16   34 o    2.220000      0.5994000       2.267000 0.8369000       2.174000      0.8583000      0.9290000E-01   1.199000
  1 1 1       2   17    0 o    12.41000      0.2850000       11.78000 0.3882000       13.04000      0.4174000      -1.266000      0.5700000
  1 1 1       2   17    1 o    4.030000      0.6389000       3.678000 1.091000       4.382000      0.6654000     -0.7039000       1.278000
  1 1 1       2   17    2 o    3.934000      0.6667000       4.281000 1.020000       3.586000      0.8586000      0.6953000       1.333000
  1 1 1       2   17    3 o    6.388000       1.002000       7.830000 0.7082000       4.947000       1.875000       2.884000       2.004000
  1 1 1       2   17    4 o    3.253000      0.8215000       2.304000 0.9888000       4.202000       1.312000      -1.897000       1.643000
  1 1 1       2   17    5 o    4.426000       1.259000       5.458000 2.160000       3.394000       1.292000       2.064000       2.517000
  1 1 1       2   17    7 o    4.047000       1.125000       4.379000 1.812000       3.715000       1.332000      0.6641000       2.249000
  1 1 1       2   17    8 o    3.694000       1.080000       3.868000 1.704000       3.520000       1.328000      0.3473000       2.160000
  1 1 1       2   17    9 o    2.486000      0.4741000       2.960000 0.5594000       2.013000      0.7655000      0.9475000      0.9481000
  1 1 1       2   17   10 o    7.034000      0.2331000       6.967000 0.3423000       7.100000      0.3163000     -0.1333000      0.4661000
  1 1 1       2   17   11 o    4.640000      0.2924000       4.717000 0.4230000       4.563000      0.4037000      0.1533000      0.5848000
  1 1 1       2   17   12 o    6.878000      0.2402000       6.947000 0.3600000       6.809000      0.3180000      0.1371000      0.4804000
  1 1 1       2   17   13 o    11.04000      0.2695000       11.26000 0.3894000       10.82000      0.3728000      0.4342000      0.5391000
  1 1 1       2   17   14 o    6.285000      0.2781000       5.875000 0.4027000       6.695000      0.3836000     -0.8198000      0.5562000
  1 1 1       2   17   15 o    3.795000      0.4436000       3.811000 0.6854000       3.780000      0.5634000      0.3143000E-01  0.8872000
  1 1 1       2   17   16 o    2.997000      0.6301000       2.997000 0.6301000                  ?              ?              ?              ?
  1 1 1       2   17   17 o    3.596000      0.3690000       3.571000 0.5657000       3.622000      0.4739000     -0.5114000E-01  0.7380000
  1 1 1       2   17   18 o    6.820000      0.3074000                  ?       ?   6.820000      0.3074000                  ?              ?
  1 1 1       2   17   19 o    11.32000      0.2203000       11.37000 0.3193000       11.26000      0.3036000      0.1102000      0.4406000
  1 1 1       2   17   20 o    13.87000      0.2369000       13.89000 0.3404000       13.85000      0.3295000      0.4356000E-01  0.4737000
  1 1 1       2   17   21 f    9.078000      0.2226000       8.855000 0.3242000       9.301000      0.3051000     -0.4459000      0.4452000
  1 1 1       2   17   22 o    10.61000      0.2297000       10.41000 0.3306000       10.82000      0.3189000     -0.4109000      0.4593000
  1 1 1       2   17   23 o    3.614000      0.4138000       3.489000 0.6286000       3.739000      0.5383000     -0.2506000      0.8276000
  1 1 1       2   17   24 o    5.959000      0.2825000       6.153000 0.4003000       5.765000      0.3988000      0.3877000      0.5650000
  1 1 1       2   17   25 o    4.714000      0.3444000       4.279000 0.5225000       5.150000      0.4488000     -0.8709000      0.6888000
  1 1 1       2   17   26 o    2.827000      0.5309000       3.239000 0.6930000       2.415000      0.8045000      0.8234000       1.062000
  1 1 1       2   17   27 o    2.870000      0.5508000       3.026000 0.7673000       2.714000      0.7904000      0.3114000       1.102000
  1 1 1       2   17   28 o    3.241000      0.5468000       3.157000 0.7839000       3.325000      0.7624000     -0.1673000       1.094000
  1 1 1       2   17   29 o    2.796000      0.5867000       2.431000 0.8580000       3.161000      0.8005000     -0.7297000       1.173000
  1 1 1       2   17   30 o    5.104000      0.4132000       4.944000 0.6128000       5.264000      0.5546000     -0.3202000      0.8265000
  1 1 1       2   17   31 o    3.904000      0.5348000       4.499000 0.6684000       3.309000      0.8350000       1.190000       1.070000
  1 1 1       2   17   32 o    2.197000      0.6039000       2.157000 0.8557000       2.236000      0.8524000     -0.7908000E-01   1.208000
  1 1 1       2   17   33 o    2.709000      0.6971000       2.042000 0.8305000       3.376000       1.120000      -1.334000       1.394000
  1 1 1       2   18    0 o    10.52000      0.3133000       9.999000 0.4785000       11.03000      0.4045000      -1.035000      0.6265000
  1 1 1       2   18    1 o    7.827000      0.4874000       8.996000 0.8119000       6.659000      0.5396000       2.337000      0.9748000
  1 1 1       2   18    2 f    5.426000      0.7924000       5.180000 1.437000       5.672000      0.6684000     -0.4919000       1.585000
  1 1 1       2   18    3 o    5.346000      0.6932000       5.807000 0.9052000       4.886000       1.050000      0.9212000       1.386000
  1 1 1       2   18    4 o    3.734000      0.7838000       3.655000 1.051000       3.813000       1.163000     -0.1574000       1.568000
  1 1 1       2   18    5 o    6.335000      0.6656000       6.504000 0.5585000       6.166000       1.208000      0.3379000       1.331000
  1 1 1       2   18    6 o    2.165000      0.6575000       2.205000 0.9019000       2.125000      0.9571000      0.7924000E-01   1.315000
  1 1 1       2   18    7 o    1.891000      0.5227000       2.382000 0.8010000       1.400000      0.6718000      0.9818000       1.045000
  1 1 1       2   18    8 o    4.397000      0.4115000       4.841000 0.4970000       3.952000      0.6560000      0.8887000      0.8230000
  1 1 1       2   18    9 o    8.530000      0.2940000       8.233000 0.4085000       8.828000      0.4231000     -0.5948000      0.5881000
  1 1 1       2   18   10 o    1.914000      0.4625000       1.279000 0.5866000       2.550000      0.7152000      -1.271000      0.9250000
  1 1 1       2   18   11 o    7.773000      0.2545000       7.426000 0.3597000       8.120000      0.3601000     -0.6934000      0.5090000
  1 1 1       2   18   12 o    8.339000      0.2478000       8.320000 0.3671000       8.359000      0.3328000     -0.3956000E-01  0.4955000
  1 1 1       2   18   13 o    6.230000      0.2582000       6.230000 0.3950000       6.231000      0.3326000     -0.9193000E-03  0.5164000
  1 1 1       2   18   14 o    5.866000      0.2592000       5.286000 0.4111000       6.446000      0.3159000      -1.160000      0.5185000
  1 1 1       2   18   15 o    8.943000      0.2137000       8.728000 0.3155000       9.158000      0.2884000     -0.4300000      0.4275000
  1 1 1       2   18   16 o    11.19000      0.3236000       11.19000 0.3236000                  ?              ?              ?              ?
  1 1 1       2   18   17 o    13.63000      0.2395000       14.03000 0.3514000       13.23000      0.3256000      0.8073000      0.4790000
  1 1 1       2   18   18 o    16.27000      0.3642000                  ?       ?   16.27000      0.3642000                  ?              ?
  1 1 1       2   18   19 o    12.54000      0.2301000       12.75000 0.3351000       12.34000      0.3154000      0.4142000      0.4602000
  1 1 1       2   18   20 o    5.605000      0.2724000       5.671000 0.4012000       5.539000      0.3686000      0.1316000      0.5448000
  1 1 1       2   18   21 o    8.376000      0.2281000       8.572000 0.3323000       8.180000      0.3126000      0.3919000      0.4562000
  1 1 1       2   18   22 o    3.473000      0.4360000       3.671000 0.6128000       3.275000      0.6203000      0.3960000      0.8720000
  1 1 1       2   18   23 o    8.928000      0.2399000       8.806000 0.3534000       9.050000      0.3245000     -0.2438000      0.4798000
  1 1 1       2   18   24 o    7.358000      0.2642000       7.240000 0.3862000       7.476000      0.3605000     -0.2354000      0.5283000
  1 1 1       2   18   25 o    2.421000      0.5519000       2.261000 0.8030000       2.581000      0.7575000     -0.3206000       1.104000
  1 1 1       2   18   26 o    3.965000      0.4448000       4.106000 0.6097000       3.824000      0.6478000      0.2822000      0.8896000
  1 1 1       2   18   27 o    2.353000      0.5851000       2.498000 0.8263000       2.208000      0.8287000      0.2899000       1.170000
  1 1 1       2   18   28 f    3.071000      0.5629000       3.573000 0.7646000       2.568000      0.8264000       1.005000       1.126000
  1 1 1       2   18   29 o    3.696000      0.5293000       3.548000 0.7748000       3.843000      0.7214000     -0.2957000       1.059000
  1 1 1       2   18   30 o    5.921000      0.3803000       6.096000 0.5417000       5.746000      0.5339000      0.3503000      0.7606000
  1 1 1       2   18   31 o    2.172000      0.5160000       1.411000 0.6797000       2.932000      0.7765000      -1.521000       1.032000
  1 1 1       2   18   32 o    2.764000      0.7387000       2.693000 1.015000       2.835000       1.073000     -0.1422000       1.477000
  1 1 1       2   18   33 o    2.651000      0.6376000       3.083000 0.9222000       2.219000      0.8808000      0.8650000       1.275000
  1 1 1       2   19    0 o    9.950000      0.2969000       9.430000 0.4234000       10.47000      0.4162000      -1.040000      0.5938000
  1 1 1       2   19    1 o    4.671000      0.7042000       3.693000 1.301000       5.649000      0.5398000      -1.956000       1.408000
  1 1 1       2   19    2 o    3.069000      0.9472000       3.147000 1.253000       2.991000       1.421000      0.1559000       1.894000
  1 1 1       2   19    3 o    4.724000       1.066000       4.504000 1.227000       4.943000       1.745000     -0.4387000       2.133000
  1 1 1       2   19    4 o    4.375000      0.8112000       5.062000 0.8554000       3.688000       1.379000       1.374000       1.622000
  1 1 1       2   19    5 o    6.025000      0.5746000       6.415000 0.5840000       5.636000      0.9898000      0.7790000       1.149000
  1 1 1       2   19    6 o    6.024000      0.6232000       6.499000 0.6052000       5.548000       1.090000      0.9504000       1.246000
  1 1 1       2   19    7 o    5.058000      0.4970000       5.028000 0.5864000       5.089000      0.8027000     -0.6135000E-01  0.9941000
  1 1 1       2   19    8 o    2.697000      0.6007000       2.495000 0.8379000       2.899000      0.8611000     -0.4041000       1.201000
  1 1 1       2   19    9 o    6.196000      0.3192000       6.364000 0.4336000       6.027000      0.4686000      0.3368000      0.6384000
  1 1 1       2   19   10 o    7.261000      0.2748000       7.378000 0.3942000       7.144000      0.3829000      0.2345000      0.5495000
  1 1 1       2   19   11 o    9.183000      0.2613000       9.581000 0.3938000       8.786000      0.3435000      0.7960000      0.5226000
  1 1 1       2   19   12 o    4.523000      0.3490000       4.595000 0.5132000       4.450000      0.4731000      0.1452000      0.6980000
  1 1 1       2   19   13 o    4.386000      0.3695000       3.994000 0.5969000       4.778000      0.4358000     -0.7838000      0.7391000
  1 1 1       2   19   14 o    6.781000      0.2656000       7.335000 0.3882000       6.227000      0.3625000       1.108000      0.5311000
  1 1 1       2   19   15 o    9.252000      0.2332000       9.139000 0.3439000       9.366000      0.3149000     -0.2272000      0.4663000
  1 1 1       2   19   16 o    12.29000      0.2747000       12.62000 0.3514000       11.96000      0.4224000      0.6540000      0.5495000
  1 1 1       2   19   17 o    14.28000      0.2508000       14.16000 0.3652000       14.40000      0.3439000     -0.2413000      0.5016000
  1 1 1       2   19   18 o    10.96000      0.2800000       10.65000 0.4573000       11.27000      0.3233000     -0.6124000      0.5601000
  1 1 1       2   19   19 o    4.345000      0.3906000       4.556000 0.5797000       4.133000      0.5236000      0.4232000      0.7812000
  1 1 1       2   19   20 o    11.25000      0.2361000       11.24000 0.3483000       11.26000      0.3188000     -0.2034000E-01  0.4722000
  1 1 1       2   19   21 f    9.353000      0.2348000       9.262000 0.3428000       9.443000      0.3208000     -0.1814000      0.4695000
  1 1 1       2   19   22 o    5.011000      0.3248000       5.456000 0.4495000       4.565000      0.4690000      0.8914000      0.6497000
  1 1 1       2   19   23 o    8.404000      0.2495000       8.592000 0.3592000       8.216000      0.3464000      0.3768000      0.4990000
  1 1 1       2   19   24 o    6.339000      0.3003000       6.429000 0.4421000       6.249000      0.4065000      0.1805000      0.6006000
  1 1 1       2   19   25 o    6.696000      0.3037000       6.589000 0.4604000       6.802000      0.3962000     -0.2136000      0.6074000
  1 1 1       2   19   26 o    5.234000      0.3780000       4.963000 0.5643000       5.506000      0.5031000     -0.5420000      0.7560000
  1 1 1       2   19   27 o    1.858000      0.5456000       1.544000 0.7162000       2.173000      0.8231000     -0.6290000       1.091000
  1 1 1       2   19   28 f    4.211000      0.4850000       3.868000 0.7313000       4.554000      0.6373000     -0.6856000      0.9700000
  1 1 1       2   19   29 o    5.104000      0.4993000       4.463000 0.6512000       5.744000      0.7569000      -1.282000      0.9985000
  1 1 1       2   19   30 o    2.181000      0.6447000       2.707000 1.017000       1.656000      0.7924000       1.051000       1.289000
  1 1 1       2   19   31 o    1.658000      0.5360000       1.857000 0.8155000       1.459000      0.6959000      0.3975000       1.072000
  1 1 1       2   19   32 o    2.051000      0.6117000       2.105000 0.8771000       1.997000      0.8530000      0.1077000       1.223000
  1 1 1       2   20    0 o    6.909000      0.3621000       6.290000 0.5710000       7.529000      0.4456000      -1.239000      0.7243000
  1 1 1       2   20    1 o    3.587000      0.7278000       3.544000 1.139000       3.629000      0.9064000     -0.8582000E-01   1.456000
  1 1 1       2   20    2 o    4.602000      0.6726000       4.713000 1.060000       4.492000      0.8285000      0.2214000       1.345000
  1 1 1       2   20    3 o    3.921000      0.6719000       3.035000 1.043000       4.806000      0.8471000      -1.771000       1.344000
  1 1 1       2   20    4 o    4.686000      0.6414000       4.528000 0.7494000       4.843000       1.041000     -0.3150000       1.283000
  1 1 1       2   20    5 o    3.902000      0.6855000       3.448000 0.8645000       4.356000       1.064000     -0.9079000       1.371000
  1 1 1       2   20    6 o    10.08000      0.3956000       10.69000 0.5265000       9.477000      0.5905000       1.210000      0.7912000
  1 1 1       2   20    7 o    6.893000      0.4037000       7.486000 0.4840000       6.300000      0.6462000       1.186000      0.8073000
  1 1 1       2   20    8 o    2.700000      0.6014000       2.769000 0.8206000       2.631000      0.8794000      0.1376000       1.203000
  1 1 1       2   20    9 o    2.334000      0.6033000       2.092000 0.8229000       2.576000      0.8826000     -0.4842000       1.207000
  1 1 1       2   20   10 o    7.144000      0.3036000       7.130000 0.4279000       7.159000      0.4308000     -0.2928000E-01  0.6071000
  1 1 1       2   20   11 o    2.328000      0.5241000       3.012000 0.7696000       1.645000      0.7116000       1.367000       1.048000
  1 1 1       2   20   12 o    8.749000      0.2584000       8.520000 0.3885000       8.979000      0.3410000     -0.4581000      0.5169000
  1 1 1       2   20   13 o    2.263000      0.5518000       2.599000 0.8151000       1.927000      0.7439000      0.6720000       1.104000
  1 1 1       2   20   14 o    3.131000      0.5067000       2.736000 0.8053000       3.526000      0.6152000     -0.7893000       1.013000
  1 1 1       2   20   15 o    3.457000      0.4853000       4.002000 0.6371000       2.913000      0.7324000       1.089000      0.9707000
  1 1 1       2   20   16 o    11.63000      0.2493000       11.60000 0.3658000       11.66000      0.3390000     -0.6274000E-01  0.4987000
  1 1 1       2   20   17 o    11.19000      0.2431000       10.99000 0.3604000       11.39000      0.3265000     -0.3951000      0.4863000
  1 1 1       2   20   18 o    1.850000      0.5331000       1.839000 0.7758000       1.861000      0.7313000     -0.2143000E-01   1.066000
  1 1 1       2   20   19 o    2.962000      0.5421000       2.687000 0.8588000       3.236000      0.6619000     -0.5490000       1.084000
  1 1 1       2   20   20 o    7.627000      0.2743000       7.626000 0.4130000       7.628000      0.3612000     -0.1415000E-02  0.5486000
  1 1 1       2   20   21 o    4.528000      0.3961000       4.277000 0.6296000       4.780000      0.4807000     -0.5033000      0.7921000
  1 1 1       2   20   22 o    2.948000      0.5462000       3.238000 0.7791000       2.658000      0.7658000      0.5797000       1.092000
  1 1 1       2   20   23 o    1.614000      0.4959000       1.377000 0.6522000       1.852000      0.7473000     -0.4753000      0.9919000
  1 1 1       2   20   24 o    7.940000      0.2824000       7.986000 0.4161000       7.894000      0.3821000      0.9245000E-01  0.5649000
  1 1 1       2   20   25 o    2.646000      0.5965000       2.638000 0.8671000       2.654000      0.8195000     -0.1585000E-01   1.193000
  1 1 1       2   20   26 o    5.465000      0.3834000       5.647000 0.5358000       5.284000      0.5484000      0.3632000      0.7667000
  1 1 1       2   20   27 o    2.252000      0.6664000       1.980000 0.8633000       2.525000       1.015000     -0.5453000       1.333000
  1 1 1       2   20   28 o    5.784000      0.5511000       6.774000 0.5946000       4.795000      0.9281000       1.979000       1.102000
  1 1 1       2   20   29 f    3.457000      0.5744000       2.607000 0.9257000       4.307000      0.6802000      -1.700000       1.149000
  1 1 1       2   20   30 o    2.727000      0.6265000       2.372000 0.9187000       3.082000      0.8520000     -0.7103000       1.253000
  1 1 1       2   20   31 o    3.037000      0.7267000       3.937000 1.118000       2.138000      0.9287000       1.799000       1.453000
  1 1 1       2   21    0 o    2.088000      0.6098000       2.195000 0.9190000       1.982000      0.8019000      0.2128000       1.220000
  1 1 1       2   21    1 o    3.133000      0.7184000       2.931000 1.097000       3.335000      0.9274000     -0.4039000       1.437000
  1 1 1       2   21    2 o    2.848000      0.6416000       1.944000 0.9167000       3.753000      0.8981000      -1.809000       1.283000
  1 1 1       2   21    3 o    5.067000      0.6061000       5.243000 0.9416000       4.891000      0.7634000      0.3520000       1.212000
  1 1 1       2   21    4 f    2.995000      0.7848000       2.485000 1.030000       3.504000       1.184000      -1.019000       1.570000
  1 1 1       2   21    5 f    2.942000      0.7691000       2.339000 0.9673000       3.545000       1.196000      -1.206000       1.538000
  1 1 1       2   21    6 o    2.846000      0.7679000       2.423000 0.9807000       3.269000       1.182000     -0.8459000       1.536000
  1 1 1       2   21    7 o    2.341000      0.6112000       2.896000 0.9057000       1.785000      0.8209000       1.110000       1.222000
  1 1 1       2   21    8 o    5.613000      0.3936000       6.251000 0.4899000       4.975000      0.6163000       1.276000      0.7873000
  1 1 1       2   21    9 o    2.415000      0.5918000       1.836000 0.7878000       2.995000      0.8834000      -1.159000       1.184000
  1 1 1       2   21   10 o    2.690000      0.6032000       2.542000 0.8619000       2.838000      0.8441000     -0.2957000       1.206000
  1 1 1       2   21   11 o    2.555000      0.5355000       2.819000 0.7443000       2.292000      0.7702000      0.5264000       1.071000
  1 1 1       2   21   12 o    6.908000      0.3014000       6.859000 0.4649000       6.957000      0.3836000     -0.9780000E-01  0.6028000
  1 1 1       2   21   13 o    3.778000      0.4791000       3.773000 0.7407000       3.783000      0.6078000     -0.1003000E-01  0.9582000
  1 1 1       2   21   14 o    5.312000      0.3568000       5.808000 0.4996000       4.816000      0.5096000      0.9917000      0.7137000
  1 1 1       2   21   15 o    9.166000      0.2740000       8.554000 0.4128000       9.779000      0.3605000      -1.225000      0.5481000
  1 1 1       2   21   16 o    7.276000      0.2887000       7.080000 0.4385000       7.473000      0.3756000     -0.3939000      0.5773000
  1 1 1       2   21   17 o    4.236000      0.4431000       4.661000 0.6259000       3.811000      0.6273000      0.8502000      0.8862000
  1 1 1       2   21   18 o    6.146000      0.3308000       5.511000 0.5325000       6.781000      0.3924000      -1.269000      0.6615000
  1 1 1       2   21   19 o    1.534000      0.4970000       1.583000 0.7330000       1.485000      0.6715000      0.9813000E-01  0.9941000
  1 1 1       2   21   20 o    6.747000      0.3093000       6.768000 0.4782000       6.726000      0.3923000      0.4146000E-01  0.6186000
  1 1 1       2   21   21 o    4.542000      0.4514000       4.373000 0.7103000       4.712000      0.5572000     -0.3385000      0.9028000
  1 1 1       2   21   22 o    3.636000      0.5209000       3.736000 0.7740000       3.536000      0.6973000      0.1997000       1.042000
  1 1 1       2   21   23 o    6.115000      0.3470000       5.965000 0.5314000       6.265000      0.4466000     -0.3005000      0.6941000
  1 1 1       2   21   24 o    4.655000      0.4265000       5.749000 0.5311000       3.561000      0.6676000       2.189000      0.8531000
  1 1 1       2   21   25 o    8.688000      0.3751000       8.334000 0.5214000       9.043000      0.5393000     -0.7091000      0.7501000
  1 1 1       2   21   26 o    3.763000      0.6659000       4.272000 0.8255000       3.255000       1.045000       1.017000       1.332000
  1 1 1       2   21   27 o    4.340000      0.5213000       4.099000 0.7952000       4.581000      0.6742000     -0.4822000       1.043000
  1 1 1       2   21   28 o    3.380000      0.6384000       3.144000 0.9651000       3.616000      0.8359000     -0.4722000       1.277000
  1 1 1       2   21   29 o    1.872000      0.6322000       1.923000 0.9294000       1.821000      0.8574000      0.1016000       1.264000
  1 1 1       2   21   30 o    3.029000      0.7813000       3.114000 1.122000       2.943000       1.088000      0.1703000       1.563000
  1 1 1       2   22    0 o    3.015000      0.8288000       4.350000 1.481000       1.680000      0.7442000       2.671000       1.658000
  1 1 1       2   22    1 o    3.430000      0.7164000       4.354000 1.064000       2.506000      0.9602000       1.848000       1.433000
  1 1 1       2   22    2 o    2.658000      0.7074000       2.112000 0.9862000       3.203000       1.015000      -1.092000       1.415000
  1 1 1       2   22    3 o    5.308000      0.6272000       5.289000 0.9695000       5.327000      0.7961000     -0.3784000E-01   1.254000
  1 1 1       2   22    4 o    9.039000      0.5891000       9.039000 0.5891000                  ?              ?              ?              ?
  1 1 1       2   22    5 o    2.763000      0.7791000       2.905000 1.086000       2.621000       1.117000      0.2835000       1.558000
  1 1 1       2   22    6 o    2.787000      0.7781000       2.870000 1.072000       2.705000       1.128000      0.1653000       1.556000
  1 1 1       2   22    7 o    8.247000      0.3729000       8.696000 0.4967000       7.798000      0.5563000      0.8975000      0.7457000
  1 1 1       2   22    8 o    4.863000      0.4688000       4.953000 0.6006000       4.773000      0.7200000      0.1802000      0.9376000
  1 1 1       2   22    9 o    5.917000      0.4086000       6.515000 0.5037000       5.318000      0.6436000       1.197000      0.8173000
  1 1 1       2   22   10 o    1.883000      0.5839000       1.815000 0.8059000       1.950000      0.8452000     -0.1355000       1.168000
  1 1 1       2   22   11 o    9.820000      0.2959000       10.01000 0.4280000       9.633000      0.4086000      0.3746000      0.5918000
  1 1 1       2   22   12 o    2.157000      0.5664000       1.915000 0.7984000       2.400000      0.8035000     -0.4847000       1.133000
  1 1 1       2   22   13 o    5.901000      0.3443000       6.209000 0.5128000       5.593000      0.4597000      0.6158000      0.6887000
  1 1 1       2   22   14 o    7.395000      0.3219000       7.446000 0.5011000       7.344000      0.4042000      0.1022000      0.6438000
  1 1 1       2   22   15 o    6.131000      0.3396000       5.706000 0.5318000       6.555000      0.4223000     -0.8481000      0.6791000
  1 1 1       2   22   16 o    2.368000      0.5805000       2.642000 0.8717000       2.094000      0.7668000      0.5474000       1.161000
  1 1 1       2   22   17 o    6.088000      0.5464000       6.088000 0.5464000                  ?              ?              ?              ?
  1 1 1       2   22   18 o    3.031000      0.5810000       2.526000 0.9131000       3.536000      0.7187000      -1.010000       1.162000
  1 1 1       2   22   19 o    3.728000      0.6592000                  ?       ?   3.728000      0.6592000                  ?              ?
  1 1 1       2   22   20 o    6.588000      0.3360000       5.938000 0.5383000       7.238000      0.4023000      -1.300000      0.6720000
  1 1 1       2   22   21 o    1.982000      0.5755000       1.886000 0.8302000       2.079000      0.7973000     -0.1927000       1.151000
  1 1 1       2   22   22 o    2.525000      0.7306000       2.386000 1.025000       2.663000       1.041000     -0.2773000       1.461000
  1 1 1       2   22   23 f    6.663000      0.5430000       6.572000 0.7993000       6.754000      0.7352000     -0.1822000       1.086000
  1 1 1       2   22   24 o    2.952000      0.6202000       3.593000 0.8762000       2.311000      0.8780000       1.282000       1.240000
  1 1 1       2   22   25 o    5.607000      0.4002000       5.964000 0.5689000       5.249000      0.5632000      0.7150000      0.8005000
  1 1 1       2   22   26 o    2.589000      0.7414000       3.435000 1.231000       1.743000      0.8262000       1.691000       1.483000
  1 1 1       2   22   27 f    5.469000      0.6480000       5.375000 1.043000       5.563000      0.7688000     -0.1888000       1.296000
  1 1 1       2   22   28 o    2.584000      0.6132000       3.509000 0.9649000       1.659000      0.7571000       1.851000       1.226000
  1 1 1       2   22   29 o    2.306000      0.6540000       2.488000 0.9611000       2.125000      0.8871000      0.3632000       1.308000
  1 1 1       2   23    0 o    2.360000      0.6117000       2.027000 0.8662000       2.693000      0.8640000     -0.6665000       1.223000
  1 1 1       2   23    1 o    3.336000      0.7270000       4.417000 1.103000       2.256000      0.9474000       2.161000       1.454000
  1 1 1       2   23    2 o    4.536000      0.7657000       4.317000 1.192000       4.755000      0.9614000     -0.4380000       1.531000
  1 1 1       2   23    3 o    6.385000      0.6098000       5.049000 1.041000       7.720000      0.6348000      -2.671000       1.220000
  1 1 1       2   23    4 o    3.065000      0.7884000       2.727000 1.049000       3.403000       1.177000     -0.6757000       1.577000
  1 1 1       2   23    5 o    3.703000      0.8342000       3.318000 1.130000       4.089000       1.228000     -0.7701000       1.668000
  1 1 1       2   23    6 o    3.121000      0.8291000       2.704000 1.088000       3.538000       1.251000     -0.8347000       1.658000
  1 1 1       2   23    7 o    5.945000      0.5205000       6.077000 0.6785000       5.812000      0.7896000      0.2651000       1.041000
  1 1 1       2   23    8 o    7.486000      0.3826000       7.920000 0.4978000       7.053000      0.5811000      0.8672000      0.7652000
  1 1 1       2   23    9 o    3.207000      0.6676000       2.679000 0.9602000       3.735000      0.9279000      -1.056000       1.335000
  1 1 1       2   23   10 o    6.173000      0.4273000       6.745000 0.5468000       5.601000      0.6568000       1.144000      0.8547000
  1 1 1       2   23   11 o    5.816000      0.3638000       5.946000 0.5109000       5.686000      0.5179000      0.2601000      0.7275000
  1 1 1       2   23   12 o    6.645000      0.3536000       7.023000 0.4961000       6.267000      0.5039000      0.7561000      0.7072000
  1 1 1       2   23   13 o    2.124000      0.5766000       2.590000 0.8909000       1.658000      0.7321000      0.9323000       1.153000
  1 1 1       2   23   14 f    2.210000      0.5825000       1.961000 0.8303000       2.458000      0.8171000     -0.4973000       1.165000
  1 1 1       2   23   15 o    2.575000      0.5853000       2.094000 0.8622000       3.055000      0.7917000     -0.9607000       1.171000
  1 1 1       2   23   16 o    4.275000      0.4745000       4.156000 0.7577000       4.394000      0.5714000     -0.2381000      0.9490000
  1 1 1       2   23   17 o    1.727000      0.7870000       1.727000 0.7870000                  ?              ?              ?              ?
  1 1 1       2   23   18 o    3.200000      0.7781000       2.518000 0.8872000       3.881000       1.278000      -1.363000       1.556000
  1 1 1       2   23   19 o    4.555000       1.101000                  ?       ?   4.555000       1.101000                  ?              ?
  1 1 1       2   23   20 o    3.093000      0.7881000       3.443000 1.172000       2.743000       1.054000      0.6999000       1.576000
  1 1 1       2   23   21 o    4.554000      0.5113000       4.416000 0.8106000       4.692000      0.6233000     -0.2759000       1.023000
  1 1 1       2   23   22 o    2.470000      0.5910000       3.358000 0.9297000       1.582000      0.7300000       1.776000       1.182000
  1 1 1       2   23   23 o    1.948000      0.5947000       2.209000 0.9050000       1.686000      0.7717000      0.5234000       1.189000
  1 1 1       2   23   24 o    7.491000      0.4952000       7.490000 0.7832000       7.492000      0.6061000     -0.1739000E-02  0.9903000
  1 1 1       2   23   25 o    2.544000      0.7411000       2.559000 1.111000       2.529000      0.9811000      0.3017000E-01   1.482000
  1 1 1       2   23   26 o    2.537000      0.6814000       2.657000 1.000000       2.417000      0.9254000      0.2404000       1.363000
  1 1 1       2   23   27 o    4.107000      0.6169000       3.933000 0.9556000       4.280000      0.7804000     -0.3477000       1.234000
  1 1 1       2   23   28 o    2.688000      0.6803000       2.663000 0.9877000       2.714000      0.9358000     -0.5089000E-01   1.361000
  1 1 1       2   24    0 o    6.877000      0.3732000       6.367000 0.5877000       7.387000      0.4601000      -1.020000      0.7464000
  1 1 1       2   24    1 o    2.959000      0.7943000       3.377000 1.206000       2.540000       1.035000      0.8369000       1.589000
  1 1 1       2   24    2 o    4.295000      0.7795000       3.810000 1.234000       4.780000      0.9523000     -0.9699000       1.559000
  1 1 1       2   24    3 o    5.058000      0.7586000       6.012000 1.035000       4.105000       1.109000       1.907000       1.517000
  1 1 1       2   24    4 o    4.548000      0.7634000       3.836000 1.173000       5.261000      0.9776000      -1.425000       1.527000
  1 1 1       2   24    5 o    4.402000      0.8114000       3.904000 1.114000       4.899000       1.180000     -0.9950000       1.623000
  1 1 1       2   24    6 o    5.701000      0.8196000       5.316000 0.9203000       6.086000       1.357000     -0.7696000       1.639000
  1 1 1       2   24    7 o    5.430000      0.5702000       5.519000 0.6913000       5.342000      0.9070000      0.1766000       1.140000
  1 1 1       2   24    8 f    3.746000      0.6406000       3.331000 0.8815000       4.161000      0.9298000     -0.8301000       1.281000
  1 1 1       2   24    9 o    7.093000      0.4234000       6.250000 0.6095000       7.937000      0.5879000      -1.687000      0.8469000
  1 1 1       2   24   10 o    5.959000      0.4297000       5.683000 0.6221000       6.235000      0.5929000     -0.5515000      0.8594000
  1 1 1       2   24   11 o    2.284000      0.6341000       2.059000 0.8608000       2.510000      0.9315000     -0.4509000       1.268000
  1 1 1       2   24   12 o    1.823000      0.5572000       1.922000 0.8105000       1.723000      0.7648000      0.1985000       1.114000
  1 1 1       2   24   13 o    4.602000      0.4699000       4.472000 0.6853000       4.732000      0.6431000     -0.2601000      0.9398000
  1 1 1       2   24   14 o    2.209000      0.5658000       2.003000 0.8291000       2.415000      0.7701000     -0.4117000       1.132000
  1 1 1       2   24   15 f    4.216000      0.9527000       4.519000 1.324000       3.913000       1.371000      0.6067000       1.905000
  1 1 1       2   24   16 o    4.154000      0.9772000       3.523000 1.400000       4.785000       1.364000      -1.262000       1.954000
  1 1 1       2   24   17 o    5.704000      0.6614000       4.966000 1.250000       6.441000      0.4337000      -1.475000       1.323000
  1 1 1       2   24   18 o    6.317000      0.3698000       5.898000 0.5902000       6.735000      0.4458000     -0.8370000      0.7396000
  1 1 1       2   24   19 o    6.354000      0.4376000       5.453000 0.7373000       7.255000      0.4716000      -1.802000      0.8753000
  1 1 1       2   24   20 o    6.262000      0.4534000       6.397000 0.7626000       6.127000      0.4905000      0.2695000      0.9068000
  1 1 1       2   24   21 o    6.479000      0.5368000       6.159000 0.8622000       6.800000      0.6398000     -0.6413000       1.074000
  1 1 1       2   24   22 o    5.668000      0.5920000       6.167000 0.8706000       5.169000      0.8025000      0.9986000       1.184000
  1 1 1       2   24   23 o    3.126000      0.6663000       3.781000 0.9545000       2.472000      0.9300000       1.309000       1.333000
  1 1 1       2   24   24 o    2.336000      0.6528000       2.921000 1.030000       1.751000      0.8027000       1.170000       1.306000
  1 1 1       2   24   25 o    3.588000      0.6672000       4.396000 0.9417000       2.780000      0.9453000       1.616000       1.334000
  1 1 1       2   24   26 o    3.749000      0.6921000       3.384000 1.065000       4.113000      0.8845000     -0.7289000       1.384000
  1 1 1       2   24   27 o    3.984000      0.6582000       3.811000 0.9916000       4.158000      0.8657000     -0.3471000       1.316000
  1 1 1       2   25    0 o    4.083000      0.6620000       3.981000 0.9987000       4.186000      0.8692000     -0.2045000       1.324000
  1 1 1       2   25    1 o    2.394000      0.7191000       2.160000 0.9926000       2.628000       1.041000     -0.4679000       1.438000
  1 1 1       2   25    2 o    3.408000      0.8091000       2.592000 1.153000       4.225000       1.135000      -1.633000       1.618000
  1 1 1       2   25    3 o    3.701000      0.7939000       2.908000 1.169000       4.494000       1.075000      -1.586000       1.588000
  1 1 1       2   25    4 o    6.497000      0.8520000       7.170000 0.6635000       5.823000       1.569000       1.347000       1.704000
  1 1 1       2   25    5 o    3.069000      0.8391000       3.119000 1.108000       3.019000       1.261000      0.1002000       1.678000
  1 1 1       2   25    6 o    3.768000      0.8283000       2.620000 1.040000       4.917000       1.289000      -2.297000       1.657000
  1 1 1       2   25    7 o    3.637000      0.7553000       3.552000 0.9754000       3.723000       1.154000     -0.1705000       1.511000
  1 1 1       2   25    8 o    3.832000      0.6556000       4.685000 0.7613000       2.980000       1.068000       1.705000       1.311000
  1 1 1       2   25    9 o    5.855000      0.4759000       5.804000 0.7135000       5.906000      0.6298000     -0.1021000      0.9517000
  1 1 1       2   25   10 o    2.936000      0.8857000       3.102000 1.204000       2.771000       1.299000      0.3306000       1.771000
  1 1 1       2   25   11 o    2.760000      0.8598000       2.856000 1.155000       2.664000       1.274000      0.1918000       1.720000
  1 1 1       2   25   12 o    4.338000      0.9992000       3.770000 1.221000       4.905000       1.582000      -1.135000       1.998000
  1 1 1       2   25   13 o    3.229000      0.7704000       4.244000 1.280000       2.215000      0.8581000       2.029000       1.541000
  1 1 1       2   25   14 o    3.127000      0.6437000       2.646000 0.9500000       3.608000      0.8688000     -0.9621000       1.287000
  1 1 1       2   25   15 o    4.520000      0.5247000       3.322000 0.8991000       5.718000      0.5410000      -2.396000       1.049000
  1 1 1       2   25   16 o    6.957000      0.3976000       7.418000 0.6164000       6.497000      0.5022000      0.9209000      0.7951000
  1 1 1       2   25   17 o    7.224000      0.3910000       7.098000 0.6230000       7.350000      0.4726000     -0.2523000      0.7820000
  1 1 1       2   25   18 o    6.811000      0.4131000       7.093000 0.6321000       6.530000      0.5319000      0.5633000      0.8261000
  1 1 1       2   25   19 o    7.452000      0.4757000       6.592000 0.7805000       8.313000      0.5442000      -1.721000      0.9515000
  1 1 1       2   25   20 o    2.151000      0.6447000       2.490000 0.9960000       1.812000      0.8189000      0.6780000       1.289000
  1 1 1       2   25   21 o    7.232000      0.3939000       6.718000 0.6140000       7.746000      0.4937000      -1.029000      0.7878000
  1 1 1       2   25   22 o    4.105000      0.6408000       3.707000 0.9989000       4.502000      0.8029000     -0.7948000       1.282000
  1 1 1       2   25   23 o    2.299000      0.6518000       1.873000 0.8717000       2.725000      0.9692000     -0.8519000       1.304000
  1 1 1       2   25   24 o    2.936000      0.7046000       2.794000 1.045000       3.078000      0.9450000     -0.2831000       1.409000
  1 1 1       2   25   25 f    2.421000      0.6831000       2.178000 0.9570000       2.665000      0.9751000     -0.4875000       1.366000
  1 1 1       2   25   26 o    3.268000      0.6832000       2.517000 1.009000       4.018000      0.9212000      -1.501000       1.366000
  1 1 1       2   26    0 o    2.617000      0.7374000       2.320000 1.026000       2.915000       1.060000     -0.5948000       1.475000
  1 1 1       2   26    1 o    2.473000      0.7871000       2.714000 1.144000       2.233000       1.081000      0.4810000       1.574000
  1 1 1       2   26    2 o    2.731000      0.7859000       3.146000 1.213000       2.316000      0.9997000      0.8300000       1.572000
  1 1 1       2   26    3 o    2.920000      0.8830000       3.746000 1.463000       2.095000      0.9889000       1.651000       1.766000
  1 1 1       2   26    4 o    5.087000      0.9042000       4.799000 1.441000       5.374000       1.093000     -0.5758000       1.808000
  1 1 1       2   26    5 o    3.672000       1.534000       3.672000 1.534000                  ?              ?              ?              ?
  1 1 1       2   26    6 o    3.214000      0.9535000       3.733000 1.422000       2.694000       1.271000       1.040000       1.907000
  1 1 1       2   26    7 o    3.755000       1.048000       2.827000 1.234000       4.683000       1.694000      -1.857000       2.096000
  1 1 1       2   26    8 o    4.296000      0.6455000       4.509000 0.7864000       4.082000       1.024000      0.4269000       1.291000
  1 1 1       2   26    9 o    3.260000      0.6502000       2.156000 0.9109000       4.364000      0.9280000      -2.208000       1.300000
  1 1 1       2   26   10 o    2.879000      0.7558000       2.498000 1.034000       3.260000       1.103000     -0.7628000       1.512000
  1 1 1       2   26   11 o    5.211000      0.4646000       5.094000 0.6449000       5.329000      0.6690000     -0.2349000      0.9292000
  1 1 1       2   26   12 o    2.756000      0.6547000       2.761000 0.8977000       2.750000      0.9533000      0.1111000E-01   1.309000
  1 1 1       2   26   13 o    3.400000      0.6981000       3.255000 1.033000       3.546000      0.9393000     -0.2913000       1.396000
  1 1 1       2   26   14 o    4.776000      0.5593000       5.057000 0.8125000       4.495000      0.7689000      0.5615000       1.119000
  1 1 1       2   26   15 o    4.786000      0.5975000       5.539000 0.7661000       4.032000      0.9171000       1.507000       1.195000
  1 1 1       2   26   16 o    3.258000      0.6050000       2.751000 0.9750000       3.765000      0.7165000      -1.014000       1.210000
  1 1 1       2   26   17 o    3.079000      0.6445000       2.961000 0.9851000       3.198000      0.8311000     -0.2372000       1.289000
  1 1 1       2   26   18 o    3.460000      0.6624000       3.420000 0.9909000       3.500000      0.8793000     -0.7969000E-01   1.325000
  1 1 1       2   26   19 o    2.213000      0.6476000       1.908000 0.8775000       2.518000      0.9527000     -0.6100000       1.295000
  1 1 1       2   26   20 o    3.167000      0.6794000       2.554000 1.017000       3.780000      0.9011000      -1.225000       1.359000
  1 1 1       2   26   21 o    5.274000      0.5217000       5.373000 0.7637000       5.175000      0.7111000      0.1976000       1.043000
  1 1 1       2   26   22 o    2.588000      0.6807000       1.977000 0.8979000       3.200000       1.023000      -1.223000       1.361000
  1 1 1       2   26   23 o    2.267000      0.6685000       2.062000 0.9199000       2.472000      0.9703000     -0.4098000       1.337000
  1 1 1       2   26   24 o    2.262000      0.6765000       2.628000 1.054000       1.897000      0.8488000      0.7319000       1.353000
  1 1 1       2   26   25 o    2.041000      0.6366000       2.016000 0.9128000       2.067000      0.8875000     -0.5050000E-01   1.273000
  1 1 1       2   27    0 o    5.054000      0.6465000       4.092000 1.042000       6.016000      0.7657000      -1.924000       1.293000
  1 1 1       2   27    1 o    3.476000      0.8239000       3.365000 1.238000       3.587000       1.087000     -0.2226000       1.648000
  1 1 1       2   27    2 o    2.525000      0.7643000       2.521000 1.113000       2.528000       1.048000     -0.6905000E-02   1.529000
  1 1 1       2   27    3 o    2.291000      0.7232000       2.565000 1.104000       2.017000      0.9350000      0.5483000       1.446000
  1 1 1       2   27    4 f    2.852000      0.7905000       3.205000 1.178000       2.500000       1.055000      0.7052000       1.581000
  1 1 1       2   27    5 o    3.923000      0.8207000       3.200000 1.193000       4.647000       1.128000      -1.447000       1.641000
  1 1 1       2   27    6 o    3.162000      0.8271000       3.020000 1.142000       3.304000       1.197000     -0.2842000       1.654000
  1 1 1       2   27    7 o    3.750000      0.8191000       4.006000 1.197000       3.495000       1.118000      0.5105000       1.638000
  1 1 1       2   27    8 o    2.944000      0.7596000       3.178000 1.055000       2.710000       1.093000      0.4678000       1.519000
  1 1 1       2   27    9 o    2.701000      0.7372000       2.553000 1.026000       2.849000       1.059000     -0.2955000       1.474000
  1 1 1       2   27   10 f    6.762000      0.5058000       6.879000 0.6763000       6.645000      0.7522000      0.2343000       1.012000
  1 1 1       2   27   11 o    3.933000      0.5995000       3.369000 0.9159000       4.497000      0.7738000      -1.128000       1.199000
  1 1 1       2   27   12 o    3.504000      0.6031000       2.631000 0.9559000       4.378000      0.7357000      -1.747000       1.206000
  1 1 1       2   27   13 o    1.774000      0.5689000       1.872000 0.8356000       1.675000      0.7723000      0.1971000       1.138000
  1 1 1       2   27   14 o    2.663000      0.6528000       2.106000 0.9034000       3.221000      0.9427000      -1.116000       1.306000
  1 1 1       2   27   15 o    3.707000      0.6301000       2.868000 1.018000       4.546000      0.7423000      -1.678000       1.260000
  1 1 1       2   27   16 o    2.234000      0.6469000       2.381000 0.9540000       2.087000      0.8739000      0.2945000       1.294000
  1 1 1       2   27   17 o    4.276000      0.5987000       4.161000 0.8801000       4.391000      0.8119000     -0.2303000       1.197000
  1 1 1       2   27   18 o    2.739000       1.015000       2.739000 1.015000                  ?              ?              ?              ?
  1 1 1       2   27   19 o    3.004000      0.6585000       2.551000 0.9894000       3.457000      0.8693000     -0.9055000       1.317000
  1 1 1       2   27   20 o    2.636000      0.7302000       2.497000 1.088000       2.776000      0.9745000     -0.2786000       1.460000
  1 1 1       2   27   21 o    2.752000      0.7288000       3.056000 1.075000       2.447000      0.9840000      0.6085000       1.458000
  1 1 1       2   27   22 o    2.905000      0.7367000       2.964000 1.043000       2.845000       1.041000      0.1193000       1.473000
  1 1 1       2   27   23 o    2.825000      0.7155000       3.553000 1.097000       2.098000      0.9192000       1.455000       1.431000
  1 1 1       2   27   24 o    2.279000      0.6853000       2.703000 1.071000       1.855000      0.8548000      0.8487000       1.371000
  1 1 1       2   28    0 o    3.900000      0.9635000       2.918000 1.346000       4.882000       1.379000      -1.965000       1.927000
  1 1 1       2   28    1 o    3.028000      0.9421000       3.197000 1.398000       2.860000       1.263000      0.3370000       1.884000
  1 1 1       2   28    2 o    3.323000       1.023000       3.248000 1.437000       3.398000       1.456000     -0.1494000       2.045000
  1 1 1       2   28    3 f    3.805000      0.9337000       4.482000 1.317000       3.127000       1.324000       1.355000       1.867000
  1 1 1       2   28    4 o    2.906000      0.8622000       2.532000 1.121000       3.281000       1.310000     -0.7483000       1.724000
  1 1 1       2   28    5 o    2.031000      0.6510000       2.240000 0.9814000       1.821000      0.8555000      0.4198000       1.302000
  1 1 1       2   28    6 o    2.976000      0.7973000       3.194000 1.130000       2.758000       1.125000      0.4367000       1.595000
  1 1 1       2   28    7 o    2.058000      0.6597000       2.000000 0.9085000       2.117000      0.9569000     -0.1178000       1.319000
  1 1 1       2   28    8 o    3.062000      0.6705000       3.838000 0.9311000       2.287000      0.9651000       1.551000       1.341000
  1 1 1       2   28    9 o    1.881000      0.6055000       2.156000 0.9312000       1.605000      0.7742000      0.5510000       1.211000
  1 1 1       2   28   10 o    2.592000      0.6733000       1.743000 0.8202000       3.442000       1.068000      -1.699000       1.347000
  1 1 1       2   28   11 o    6.665000      0.5331000       6.370000 0.7811000       6.959000      0.7258000     -0.5891000       1.066000
  1 1 1       2   28   12 o    4.528000      0.5879000       3.982000 0.9487000       5.074000      0.6946000      -1.092000       1.176000
  1 1 1       2   28   13 o    4.041000      0.6108000       3.085000 1.003000       4.997000      0.6973000      -1.912000       1.222000
  1 1 1       2   28   14 o    5.565000      0.4850000       5.352000 0.7398000       5.779000      0.6273000     -0.4278000      0.9699000
  1 1 1       2   28   15 o    2.628000      0.7070000       2.564000 1.002000       2.691000      0.9975000     -0.1263000       1.414000
  1 1 1       2   28   16 o    3.947000      0.6740000       3.627000 1.030000       4.267000      0.8693000     -0.6399000       1.348000
  1 1 1       2   28   17 o    3.973000      0.6659000       3.692000 1.060000       4.254000      0.8060000     -0.5629000       1.332000
  1 1 1       2   28   18 o    2.051000      0.9103000       2.051000 0.9103000                  ?              ?              ?              ?
  1 1 1       2   28   19 o    4.094000      0.6557000       3.569000 1.050000       4.618000      0.7850000      -1.049000       1.311000
  1 1 1       2   28   20 o    2.505000       1.004000                  ?       ?   2.505000       1.004000                  ?              ?
  1 1 1       2   28   21 o    2.326000      0.6969000       2.435000 1.019000       2.216000      0.9507000      0.2186000       1.394000
  1 1 1       2   28   22 o    3.938000      0.7349000       4.267000 1.035000       3.608000       1.044000      0.6595000       1.470000
  1 1 1       2   29    0 o    1.857000      0.6119000       2.041000 0.9244000       1.673000      0.8021000      0.3683000       1.224000
  1 1 1       2   29    1 o    2.610000      0.7203000       2.005000 0.9145000       3.214000       1.113000      -1.209000       1.441000
  1 1 1       2   29    2 o    3.225000      0.7663000       4.068000 1.131000       2.382000       1.034000       1.686000       1.533000
  1 1 1       2   29    3 o    2.626000      0.7529000       2.461000 1.027000       2.792000       1.101000     -0.3302000       1.506000
  1 1 1       2   29    4 o    3.119000      0.7599000       2.479000 1.007000       3.760000       1.139000      -1.281000       1.520000
  1 1 1       2   29    5 o    3.613000      0.7070000       2.348000 0.9824000       4.879000       1.017000      -2.531000       1.414000
  1 1 1       2   29    6 o    3.135000      0.8872000       2.874000 1.131000       3.395000       1.367000     -0.5203000       1.774000
  1 1 1       2   29    7 o    2.112000      0.6646000       2.314000 0.9780000       1.909000      0.9003000      0.4051000       1.329000
  1 1 1       2   29    8 o    2.386000      0.6935000       2.099000 0.9269000       2.674000       1.032000     -0.5757000       1.387000
  1 1 1       2   29    9 o    2.893000      0.7512000       2.762000 1.049000       3.025000       1.076000     -0.2634000       1.502000
  1 1 1       2   29   10 o    2.620000      0.7317000       2.821000 1.059000       2.419000       1.010000      0.4020000       1.463000
  1 1 1       2   29   11 o    2.753000      0.7167000       2.218000 0.9677000       3.288000       1.057000      -1.070000       1.433000
  1 1 1       2   29   12 o    2.254000      0.6778000       2.108000 0.9335000       2.400000      0.9831000     -0.2914000       1.356000
  1 1 1       2   29   13 o    2.231000      0.6676000       2.263000 0.9684000       2.199000      0.9193000      0.6378000E-01   1.335000
  1 1 1       2   29   14 o    2.881000      0.6845000       2.270000 0.9684000       3.493000      0.9676000      -1.224000       1.369000
  1 1 1       2   29   15 o    2.371000      0.6779000       1.965000 0.9044000       2.777000       1.010000     -0.8122000       1.356000
  1 1 1       2   29   16 o    5.713000      0.5428000       5.418000 0.8436000       6.008000      0.6832000     -0.5899000       1.086000
  1 1 1       2   29   17 o    2.766000      0.7338000       3.097000 1.080000       2.435000      0.9934000      0.6614000       1.468000
  1 1 1       2   29   18 o    2.574000      0.7216000       3.193000 1.129000       1.955000      0.8993000       1.238000       1.443000
  1 1 1       2   29   19 f    1.832000      0.6058000       1.909000 0.8838000       1.755000      0.8287000      0.1532000       1.212000
  1 1 1       2   29   20 o    2.376000      0.6983000       2.754000 1.054000       1.999000      0.9160000      0.7550000       1.397000
  1 1 1       2   29   21 o    3.279000       1.264000       3.279000 1.264000                  ?              ?              ?              ?
  1 1 1       2   30    0 o    2.242000      0.6984000       2.317000 0.9980000       2.168000      0.9773000      0.1486000       1.397000
  1 1 1       2   30    1 o    3.170000      0.8132000       3.241000 1.122000       3.100000       1.177000      0.1410000       1.626000
  1 1 1       2   30    2 o    3.009000      0.7978000       2.286000 0.9994000       3.732000       1.244000      -1.446000       1.596000
  1 1 1       2   30    3 o    2.645000      0.7696000       2.702000 1.052000       2.588000       1.123000      0.1139000       1.539000
  1 1 1       2   30    4 o    2.280000      0.7001000       2.618000 1.047000       1.941000      0.9292000      0.6778000       1.400000
  1 1 1       2   30    5 o    2.255000      0.6981000       2.521000 1.030000       1.989000      0.9428000      0.5322000       1.396000
  1 1 1       2   30    6 o    4.382000      0.7649000       3.724000 1.149000       5.040000       1.010000      -1.315000       1.530000
  1 1 1       2   30    7 o    3.546000      0.7420000       4.137000 1.016000       2.954000       1.082000       1.182000       1.484000
  1 1 1       2   30    8 o    1.976000      0.6388000       1.627000 0.7952000       2.325000       1.000000     -0.6981000       1.278000
  1 1 1       2   30    9 o    4.573000      0.7014000       3.820000 1.105000       5.326000      0.8647000      -1.506000       1.403000
  1 1 1       2   30   10 o    3.474000      0.7863000       3.304000 1.122000       3.644000       1.102000     -0.3403000       1.573000
  1 1 1       2   30   11 o    2.273000      0.7038000       2.609000 1.087000       1.938000      0.8941000      0.6702000       1.408000
  1 1 1       2   30   12 o    3.726000      0.8033000       4.208000 1.192000       3.244000       1.078000      0.9639000       1.607000
  1 1 1       2   30   13 o    2.434000      0.7066000       1.970000 0.9163000       2.899000       1.076000     -0.9285000       1.413000
  1 1 1       2   30   14 o    2.609000      0.7513000       2.667000 1.091000       2.552000       1.033000      0.1155000       1.503000
  1 1 1       2   30   15 o    2.092000      0.6637000       1.824000 0.8737000       2.360000      0.9992000     -0.5356000       1.327000
  1 1 1       2   30   16 o    2.938000      0.7688000       3.196000 1.133000       2.680000       1.039000      0.5154000       1.538000
  1 1 1       2   30   17 o    3.101000      0.7471000       3.310000 1.077000       2.891000       1.036000      0.4190000       1.494000
  1 1 1       2   30   18 o    2.010000      0.6475000       2.204000 0.9720000       1.816000      0.8558000      0.3882000       1.295000
  1 1 1       2   30   19 o    2.873000      0.8207000       2.956000 1.211000       2.791000       1.108000      0.1653000       1.641000
  1 1 1       2   31    0 o    3.801000      0.8211000       3.977000 1.135000       3.625000       1.186000      0.3521000       1.642000
  1 1 1       2   31    1 o    3.634000      0.8310000       3.547000 1.141000       3.721000       1.208000     -0.1735000       1.662000
  1 1 1       2   31    2 o    3.877000      0.8084000       3.891000 1.086000       3.864000       1.197000      0.2666000E-01   1.617000
  1 1 1       2   31    3 o    3.274000      0.8082000       3.791000 1.133000       2.757000       1.153000       1.034000       1.616000
  1 1 1       2   31    4 o    2.815000      0.7859000       2.281000 1.011000       3.350000       1.204000      -1.070000       1.572000
  1 1 1       2   31    5 o    5.084000      0.7085000       4.519000 1.055000       5.649000      0.9458000      -1.131000       1.417000
  1 1 1       2   31    6 o    3.649000      0.7320000       4.710000 0.9820000       2.588000       1.086000       2.122000       1.464000
  1 1 1       2   31    7 o    3.241000      0.8352000       3.451000 1.195000       3.031000       1.167000      0.4196000       1.670000
  1 1 1       2   31    8 o    4.380000      0.7575000       4.752000 1.056000       4.008000       1.086000      0.7436000       1.515000
  1 1 1       2   31    9 o    3.810000      0.7933000       4.109000 1.096000       3.512000       1.148000      0.5972000       1.587000
  1 1 1       2   31   10 o    1.978000      0.6529000       1.923000 0.9075000       2.033000      0.9389000     -0.1095000       1.306000
  1 1 1       2   31   11 o    2.593000      0.7718000       2.873000 1.154000       2.313000       1.025000      0.5604000       1.544000
  1 1 1       2   31   12 o    3.329000      0.7753000       4.011000 1.126000       2.647000       1.066000       1.364000       1.551000
  1 1 1       2   31   13 o    3.290000      0.8545000       3.843000 1.277000       2.738000       1.136000       1.105000       1.709000
  1 1 1       2   31   14 o    2.774000      0.7629000       2.338000 1.028000       3.210000       1.128000     -0.8722000       1.526000
  1 1 1       2   31   15 o    2.213000      0.7049000       2.061000 0.9580000       2.365000       1.034000     -0.3045000       1.410000
  1 1 1       2   31   16 o    3.207000      0.7791000       3.902000 1.142000       2.512000       1.061000       1.390000       1.558000
  1 1 1       2   31   17 o    2.442000      0.8285000       2.263000 1.062000       2.621000       1.272000     -0.3581000       1.657000
  1 1 1       2   32    0 o    2.109000      0.6976000       2.094000 0.9688000       2.125000       1.004000     -0.3135000E-01   1.395000
  1 1 1       2   32    1 o    2.808000      0.8124000       2.680000 1.095000       2.937000       1.200000     -0.2571000       1.625000
  1 1 1       2   32    2 o    3.021000      0.8187000       3.004000 1.124000       3.038000       1.191000     -0.3383000E-01   1.637000
  1 1 1       2   32    3 o    2.334000      0.7290000       1.735000 0.8418000       2.933000       1.190000      -1.198000       1.458000
  1 1 1       2   32    4 o    3.712000      0.8077000       3.111000 1.133000       4.312000       1.151000      -1.201000       1.615000
  1 1 1       2   32    5 o    3.481000      0.8203000       3.763000 1.130000       3.198000       1.190000      0.5654000       1.641000
  1 1 1       2   32    6 o    3.451000      0.8251000       3.199000 1.158000       3.702000       1.176000     -0.5033000       1.650000
  1 1 1       2   32    7 o    3.189000      0.7511000       4.167000 1.115000       2.211000       1.007000       1.956000       1.502000
  1 1 1       2   32    8 o    2.495000      0.7560000       2.193000 1.011000       2.796000       1.124000     -0.6027000       1.512000
  1 1 1       2   32    9 o    2.661000      0.7881000       2.637000 1.126000       2.685000       1.103000     -0.4742000E-01   1.576000
  1 1 1       2   32   10 o    3.236000      0.8226000       3.615000 1.203000       2.858000       1.122000      0.7569000       1.645000
  1 1 1       2   32   11 o    3.266000      0.8172000       2.675000 1.132000       3.857000       1.179000      -1.182000       1.634000
  1 1 1       2   32   12 o    3.317000      0.8219000       3.342000 1.165000       3.292000       1.160000      0.5028000E-01   1.644000
  1 1 1       2   32   13 o    2.669000      0.7623000       2.966000 1.125000       2.372000       1.029000      0.5944000       1.525000
  1 1 1       2   32   14 f    2.812000      0.7980000       2.518000 1.112000       3.105000       1.145000     -0.5872000       1.596000
  1 1 1       2   33    0 o    3.130000      0.8115000       3.365000 1.126000       2.895000       1.169000      0.4695000       1.623000
  1 1 1       2   33    1 o    2.851000      0.7785000       3.222000 1.113000       2.479000       1.088000      0.7432000       1.557000
  1 1 1       2   33    2 o    2.089000      0.6797000       1.829000 0.8712000       2.348000       1.043000     -0.5185000       1.359000
  1 1 1       2   33    3 o    2.793000      0.8003000       2.552000 1.077000       3.035000       1.184000     -0.4837000       1.601000
  1 1 1       2   33    4 o    2.769000      0.7961000       2.699000 1.114000       2.839000       1.138000     -0.1405000       1.592000
  1 1 1       2   33    5 o    2.975000      0.7896000       2.434000 1.038000       3.516000       1.191000      -1.082000       1.579000
  1 1 1       2   33    6 o    2.528000      0.7427000       2.316000 1.001000       2.741000       1.097000     -0.4247000       1.485000
  1 1 1       2   33    7 o    2.804000      0.7690000       3.010000 1.116000       2.598000       1.059000      0.4128000       1.538000
  1 1 1       2   33    8 o    3.489000      0.8568000       3.277000 1.233000       3.701000       1.190000     -0.4241000       1.714000
  1 1 1       2   33    9 o    3.368000      0.8446000       2.956000 1.202000       3.780000       1.187000     -0.8244000       1.689000
  1 1 1       2   33   10 o    2.667000      0.7927000       2.752000 1.149000       2.582000       1.093000      0.1699000       1.585000
  1 1 1       2   33   11 o    3.959000      0.9806000       4.006000 1.115000       3.912000       1.613000      0.9436000E-01   1.961000
  1 1 1       2   34    0 o    3.046000      0.8179000       3.163000 1.112000       2.930000       1.199000      0.2326000       1.636000
  1 1 1       2   34    1 o    2.110000      0.6858000       2.192000 0.9803000       2.028000      0.9594000      0.1636000       1.372000
  1 1 1       2   34    2 o    2.480000      0.7151000       3.080000 1.111000       1.880000      0.9012000       1.199000       1.430000
  1 1 1       2   34    3 o    3.698000      0.8205000       4.149000 1.111000       3.248000       1.208000      0.9004000       1.641000
  1 1 1       2   34    4 o    2.518000      0.7595000       2.221000 0.9946000       2.814000       1.148000     -0.5930000       1.519000
  1 1 1       2   34    5 o    2.662000      0.7828000       2.547000 1.090000       2.777000       1.124000     -0.2304000       1.566000
  1 1 1       2   34    6 o    3.342000      0.9512000       3.513000 1.325000       3.171000       1.365000      0.3417000       1.902000
  1 1 1       3  -32    0 o    2.643000      0.7263000       1.990000 0.9255000       3.295000       1.120000      -1.304000       1.453000
  1 1 1       3  -32    1 o    1.979000      0.6555000       2.333000 1.039000       1.625000      0.7996000      0.7077000       1.311000
  1 1 1       3  -32    2 o    3.243000      0.8859000       2.915000 1.307000       3.571000       1.196000     -0.6566000       1.772000
  1 1 1       3  -32    3 o    3.342000      0.8911000       4.679000 1.488000       2.004000      0.9801000       2.675000       1.782000
  1 1 1       3  -31    0 o    2.255000      0.7004000       2.022000 0.9333000       2.488000       1.045000     -0.4664000       1.401000
  1 1 1       3  -31    1 o    2.695000      0.7745000       2.955000 1.132000       2.435000       1.057000      0.5205000       1.549000
  1 1 1       3  -31    2 o    3.270000      0.8272000       3.776000 1.204000       2.765000       1.135000       1.012000       1.654000
  1 1 1       3  -31    3 o    1.923000      0.6473000       1.868000 0.8981000       1.978000      0.9324000     -0.1099000       1.295000
  1 1 1       3  -31    4 o    2.170000      0.9801000       2.170000 0.9801000                  ?              ?              ?              ?
  1 1 1       3  -31    5 o    2.112000      0.6829000       2.325000 1.034000       1.898000      0.8927000      0.4276000       1.366000
  1 1 1       3  -31    6 o    2.369000       1.003000                  ?       ?   2.369000       1.003000                  ?              ?
  1 1 1       3  -31    7 o    2.488000      0.7466000       2.451000 1.079000       2.525000       1.032000     -0.7383000E-01   1.493000
  1 1 1       3  -31    8 o    2.295000      0.6977000       3.066000 1.175000       1.524000      0.7521000       1.542000       1.395000
  1 1 1       3  -31    9 o    2.017000      0.6493000       2.136000 0.9683000       1.898000      0.8654000      0.2379000       1.299000
  1 1 1       3  -30    0 o    2.993000      0.7381000       1.984000 0.9452000       4.002000       1.134000      -2.018000       1.476000
  1 1 1       3  -30    1 o    2.463000      0.7506000       2.437000 1.066000       2.489000       1.057000     -0.5133000E-01   1.501000
  1 1 1       3  -30    2 o    3.062000      0.7714000       4.024000 1.199000       2.100000      0.9712000       1.924000       1.543000
  1 1 1       3  -30    3 o    3.715000      0.8650000       3.724000 1.245000       3.706000       1.201000      0.1864000E-01   1.730000
  1 1 1       3  -30    4 o    3.267000      0.8587000       3.705000 1.249000       2.829000       1.179000      0.8766000       1.717000
  1 1 1       3  -30    5 o    3.680000      0.8158000       3.668000 1.213000       3.691000       1.091000     -0.2381000E-01   1.632000
  1 1 1       3  -30    6 o    2.370000      0.7075000       2.041000 0.9550000       2.700000       1.044000     -0.6594000       1.415000
  1 1 1       3  -30    7 o    2.239000      0.6995000       2.327000 1.042000       2.151000      0.9331000      0.1761000       1.399000
  1 1 1       3  -30    8 o    3.414000      0.7989000       3.749000 1.165000       3.080000       1.094000      0.6690000       1.598000
  1 1 1       3  -30    9 o    3.151000      0.7834000       3.503000 1.152000       2.799000       1.063000      0.7038000       1.567000
  1 1 1       3  -30   10 o    3.947000      0.6870000       4.972000 0.9224000       2.922000       1.018000       2.050000       1.374000
  1 1 1       3  -30   11 o    3.975000      0.7269000       3.646000 1.137000       4.303000      0.9059000     -0.6571000       1.454000
  1 1 1       3  -30   12 o    3.953000      0.7333000       3.247000 1.160000       4.658000      0.8968000      -1.411000       1.467000
  1 1 1       3  -30   13 o    1.825000      0.6124000       1.647000 0.8090000       2.003000      0.9196000     -0.3561000       1.225000
  1 1 1       3  -29    0 o    6.108000      0.8251000       5.192000 1.262000       7.023000       1.063000      -1.831000       1.650000
  1 1 1       3  -29    1 f    2.389000      0.7502000       2.456000 1.095000       2.321000       1.025000      0.1356000       1.500000
  1 1 1       3  -29    2 o    3.738000      0.8610000       3.760000 1.281000       3.717000       1.151000      0.4336000E-01   1.722000
  1 1 1       3  -29    3 o    2.978000      0.8108000       2.884000 1.157000       3.073000       1.136000     -0.1888000       1.622000
  1 1 1       3  -29    4 o    3.529000      0.8291000       3.970000 1.157000       3.089000       1.187000      0.8808000       1.658000
  1 1 1       3  -29    5 o    2.478000      0.7565000       2.519000 1.088000       2.437000       1.052000      0.8202000E-01   1.513000
  1 1 1       3  -29    6 o    2.555000      0.7458000       2.207000 1.007000       2.903000       1.100000     -0.6957000       1.492000
  1 1 1       3  -29    7 o    2.400000      0.6834000       1.785000 0.8642000       3.016000       1.059000      -1.231000       1.367000
  1 1 1       3  -29    8 o    2.266000      0.7006000       2.027000 0.9482000       2.506000       1.032000     -0.4792000       1.401000
  1 1 1       3  -29    9 o    2.671000      0.7444000       3.008000 1.115000       2.334000      0.9863000      0.6744000       1.489000
  1 1 1       3  -29   10 o    2.110000      0.6394000       1.789000 0.8530000       2.431000      0.9529000     -0.6414000       1.279000
  1 1 1       3  -29   11 o    2.982000      0.7318000       3.446000 1.097000       2.518000      0.9687000      0.9280000       1.464000
  1 1 1       3  -29   12 o    2.158000      0.6904000       2.675000 1.140000       1.642000      0.7787000       1.033000       1.381000
  1 1 1       3  -29   13 o    2.441000      0.6903000       1.910000 0.9013000       2.973000       1.046000      -1.063000       1.381000
  1 1 1       3  -29   14 o    3.538000      0.7500000       3.319000 1.159000       3.758000      0.9523000     -0.4386000       1.500000
  1 1 1       3  -29   15 o    3.488000      0.7974000       3.719000 1.183000       3.257000       1.069000      0.4625000       1.595000
  1 1 1       3  -29   16 o    4.382000       1.622000       4.382000 1.622000                  ?              ?              ?              ?
  1 1 1       3  -28    0 o    3.525000      0.8506000       3.336000 1.187000       3.715000       1.219000     -0.3784000       1.701000
  1 1 1       3  -28    1 o    2.518000      0.7803000       2.409000 1.086000       2.627000       1.121000     -0.2179000       1.561000
  1 1 1       3  -28    2 o    3.815000      0.8500000       4.377000 1.231000       3.253000       1.172000       1.123000       1.700000
  1 1 1       3  -28    3 o    3.218000      0.7703000       4.542000 1.247000       1.895000      0.9047000       2.648000       1.541000
  1 1 1       3  -28    4 o    4.536000      0.7985000       5.631000 1.094000       3.442000       1.163000       2.189000       1.597000
  1 1 1       3  -28    5 o    4.076000      0.9119000       3.444000 1.199000       4.707000       1.374000      -1.262000       1.824000
  1 1 1       3  -28    6 o    3.472000      0.7968000       3.507000 1.146000       3.436000       1.108000      0.7086000E-01   1.594000
  1 1 1       3  -28    7 o    3.426000      0.7480000       3.631000 1.007000       3.220000       1.106000      0.4105000       1.496000
  1 1 1       3  -28    8 o    3.067000      0.7491000       3.282000 1.076000       2.853000       1.043000      0.4297000       1.498000
  1 1 1       3  -28    9 o    4.972000      0.6182000       4.432000 0.9605000       5.512000      0.7784000      -1.079000       1.236000
  1 1 1       3  -28   10 o    5.546000      0.5330000       6.130000 0.7783000       4.962000      0.7285000       1.168000       1.066000
  1 1 1       3  -28   11 o    2.674000      0.7044000       3.289000 1.079000       2.060000      0.9058000       1.229000       1.409000
  1 1 1       3  -28   12 o    2.481000      0.6880000       2.984000 1.071000       1.978000      0.8633000       1.006000       1.376000
  1 1 1       3  -28   13 o    2.014000      0.6431000       1.933000 0.9050000       2.095000      0.9139000     -0.1614000       1.286000
  1 1 1       3  -28   14 o    2.537000      0.7135000       2.829000 1.083000       2.245000      0.9287000      0.5843000       1.427000
  1 1 1       3  -28   15 o    2.113000      0.6638000       2.559000 1.069000       1.667000      0.7868000      0.8918000       1.328000
  1 1 1       3  -28   16 o    2.423000      0.6925000       3.323000 1.167000       1.522000      0.7451000       1.800000       1.385000
  1 1 1       3  -28   17 o    2.525000      0.7251000       2.242000 1.041000       2.809000       1.010000     -0.5676000       1.450000
  1 1 1       3  -28   18 o    2.875000      0.7421000       3.314000 1.132000       2.435000      0.9603000      0.8789000       1.484000
  1 1 1       3  -27    0 o    2.678000      0.7555000       3.073000 1.139000       2.283000      0.9929000      0.7896000       1.511000
  1 1 1       3  -27    1 o    3.559000      0.8978000       4.178000 1.409000       2.939000       1.113000       1.239000       1.796000
  1 1 1       3  -27    2 o    2.108000      0.6803000       2.243000 1.009000       1.972000      0.9130000      0.2709000       1.361000
  1 1 1       3  -27    3 o    3.403000      0.7836000       2.666000 1.231000       4.140000      0.9705000      -1.474000       1.567000
  1 1 1       3  -27    4 o    3.116000      0.9298000       3.158000 1.356000       3.075000       1.273000      0.8244000E-01   1.860000
  1 1 1       3  -27    5 o    2.773000       1.276000       2.773000 1.276000                  ?              ?              ?              ?
  1 1 1       3  -27    6 o    4.369000      0.9873000       3.245000 1.384000       5.493000       1.408000      -2.248000       1.975000
  1 1 1       3  -27    7 o    2.640000       1.236000                  ?       ?   2.640000       1.236000                  ?              ?
  1 1 1       3  -27    8 o    3.065000      0.9415000       2.442000 1.161000       3.687000       1.482000      -1.245000       1.883000
  1 1 1       3  -27    9 o    3.791000       1.043000       3.208000 1.383000       4.373000       1.562000      -1.166000       2.086000
  1 1 1       3  -27   10 o    4.008000       1.021000       4.284000 1.396000       3.732000       1.491000      0.5520000       2.043000
  1 1 1       3  -27   11 o    3.625000       1.523000       3.625000 1.523000                  ?              ?              ?              ?
  1 1 1       3  -27   12 o    3.333000       1.009000       3.254000 1.382000       3.412000       1.471000     -0.1579000       2.019000
  1 1 1       3  -27   13 o    3.802000       1.073000       3.678000 1.481000       3.926000       1.553000     -0.2479000       2.145000
  1 1 1       3  -27   14 o    4.202000       1.086000       4.746000 1.580000       3.659000       1.490000       1.087000       2.172000
  1 1 1       3  -27   15 o    3.328000       1.012000       3.154000 1.393000       3.503000       1.469000     -0.3487000       2.024000
  1 1 1       3  -27   16 o    4.147000       1.060000       4.913000 1.560000       3.381000       1.435000       1.532000       2.120000
  1 1 1       3  -27   17 o    4.528000      0.9102000       2.891000 1.257000       6.164000       1.317000      -3.273000       1.820000
  1 1 1       3  -27   18 o    3.231000      0.9443000       3.116000 1.322000       3.345000       1.348000     -0.2284000       1.889000
  1 1 1       3  -27   19 o    3.043000      0.9018000       2.494000 1.164000       3.593000       1.378000      -1.099000       1.804000
  1 1 1       3  -27   20 f    4.225000       1.020000       4.860000 1.505000       3.591000       1.377000       1.269000       2.039000
  1 1 1       3  -26    0 o    4.528000      0.7401000       3.554000 1.174000       5.503000      0.9009000      -1.948000       1.480000
  1 1 1       3  -26    1 o    3.602000      0.8041000       3.024000 1.201000       4.181000       1.070000      -1.157000       1.608000
  1 1 1       3  -26    2 o    2.841000      0.7856000       2.975000 1.155000       2.707000       1.065000      0.2674000       1.571000
  1 1 1       3  -26    3 o    2.416000      0.6942000       1.652000 0.8072000       3.180000       1.130000      -1.528000       1.388000
  1 1 1       3  -26    4 o    2.212000      0.6977000       1.938000 0.9120000       2.486000       1.056000     -0.5476000       1.395000
  1 1 1       3  -26    5 o    3.711000      0.7411000       4.467000 0.9569000       2.956000       1.132000       1.511000       1.482000
  1 1 1       3  -26    6 o    5.513000      0.5628000       5.730000 0.8182000       5.295000      0.7730000      0.4348000       1.126000
  1 1 1       3  -26    7 o    2.368000      0.6457000       2.688000 0.9425000       2.047000      0.8828000      0.6404000       1.291000
  1 1 1       3  -26    8 o    2.451000      0.6691000       2.176000 0.9023000       2.726000      0.9882000     -0.5500000       1.338000
  1 1 1       3  -26    9 o    3.168000      0.6273000       3.367000 0.8718000       2.969000      0.9023000      0.3975000       1.255000
  1 1 1       3  -26   10 o    4.157000      0.4674000       4.021000 0.7108000       4.293000      0.6073000     -0.2725000      0.9349000
  1 1 1       3  -26   11 o    6.143000      0.4031000       6.110000 0.6309000       6.176000      0.5018000     -0.6635000E-01  0.8061000
  1 1 1       3  -26   12 o    5.409000      0.4341000       5.890000 0.6016000       4.929000      0.6259000      0.9609000      0.8681000
  1 1 1       3  -26   13 o    2.247000      0.6274000       2.633000 0.9797000       1.861000      0.7840000      0.7720000       1.255000
  1 1 1       3  -26   14 o    2.180000      0.6363000       2.411000 0.9993000       1.949000      0.7881000      0.4619000       1.273000
  1 1 1       3  -26   15 o    2.272000      0.6710000       2.645000 1.064000       1.900000      0.8180000      0.7448000       1.342000
  1 1 1       3  -26   16 o    4.245000      0.6097000       3.639000 1.015000       4.851000      0.6753000      -1.213000       1.219000
  1 1 1       3  -26   17 o    3.272000      0.7574000       3.243000 1.204000       3.301000      0.9194000     -0.5825000E-01   1.515000
  1 1 1       3  -26   18 o    3.380000      0.6887000       2.723000 1.066000       4.037000      0.8727000      -1.314000       1.377000
  1 1 1       3  -26   19 o    3.790000      0.6937000       3.621000 1.073000       3.960000      0.8791000     -0.3389000       1.387000
  1 1 1       3  -26   20 o    4.010000      0.6158000       2.593000 1.028000       5.427000      0.6779000      -2.834000       1.232000
  1 1 1       3  -26   21 o    2.659000      0.6647000       1.881000 0.8647000       3.437000       1.010000      -1.556000       1.329000
  1 1 1       3  -25    0 o    3.842000      0.9205000       5.426000 1.489000       2.257000       1.083000       3.169000       1.841000
  1 1 1       3  -25    1 o    3.245000      0.9233000       4.218000 1.485000       2.272000       1.098000       1.946000       1.847000
  1 1 1       3  -25    2 o    2.109000      0.7150000       2.190000 1.032000       2.029000      0.9903000      0.1613000       1.430000
  1 1 1       3  -25    3 o    3.006000      0.8774000       3.211000 1.228000       2.802000       1.254000      0.4094000       1.755000
  1 1 1       3  -25    4 o    6.259000      0.7687000       6.517000 0.8520000       6.001000       1.280000      0.5159000       1.537000
  1 1 1       3  -25    5 o    4.735000      0.7728000       6.279000 0.8621000       3.191000       1.283000       3.088000       1.546000
  1 1 1       3  -25    6 o    5.304000      0.4791000       5.764000 0.5878000       4.844000      0.7568000      0.9198000      0.9582000
  1 1 1       3  -25    7 o    4.690000      0.5515000       5.262000 0.7063000       4.117000      0.8472000       1.146000       1.103000
  1 1 1       3  -25    8 o    1.602000      0.5402000       1.483000 0.7152000       1.720000      0.8097000     -0.2364000       1.080000
  1 1 1       3  -25    9 o    3.822000      0.5616000       3.897000 0.7675000       3.747000      0.8200000      0.1503000       1.123000
  1 1 1       3  -25   10 f    4.118000      0.4746000       4.708000 0.6220000       3.528000      0.7171000       1.180000      0.9493000
  1 1 1       3  -25   11 o    2.069000      0.5725000       2.296000 0.8610000       1.841000      0.7549000      0.4550000       1.145000
  1 1 1       3  -25   12 o    3.120000      0.5319000       2.010000 0.8490000       4.229000      0.6411000      -2.218000       1.064000
  1 1 1       3  -25   13 o    2.841000      0.6301000       2.696000 0.9532000       2.985000      0.8243000     -0.2889000       1.260000
  1 1 1       3  -25   14 o    1.583000      0.5209000       1.594000 0.7558000       1.573000      0.7169000      0.2130000E-01   1.042000
  1 1 1       3  -25   15 o    4.981000      0.5235000       4.325000 0.8831000       5.637000      0.5624000      -1.312000       1.047000
  1 1 1       3  -25   16 o    2.564000      0.6310000       2.149000 0.8922000       2.979000      0.8927000     -0.8295000       1.262000
  1 1 1       3  -25   17 o    1.788000      0.5714000       1.656000 0.7888000       1.919000      0.8268000     -0.2633000       1.143000
  1 1 1       3  -25   18 o    3.505000      0.5792000       2.165000 0.9383000       4.845000      0.6795000      -2.680000       1.158000
  1 1 1       3  -25   19 o    2.885000      0.6685000       2.328000 0.9830000       3.442000      0.9062000      -1.114000       1.337000
  1 1 1       3  -25   20 o    5.224000      0.7311000       4.926000 1.244000       5.521000      0.7681000     -0.5952000       1.462000
  1 1 1       3  -25   21 o    2.883000      0.8036000       3.473000 1.271000       2.294000      0.9832000       1.179000       1.607000
  1 1 1       3  -25   22 o    3.779000      0.8434000       4.091000 1.281000       3.466000       1.097000      0.6255000       1.687000
  1 1 1       3  -25   23 o    3.768000      0.8389000       4.199000 1.249000       3.338000       1.120000      0.8612000       1.678000
  1 1 1       3  -24    0 o    4.473000      0.8346000       4.610000 1.293000       4.337000       1.056000      0.2727000       1.669000
  1 1 1       3  -24    1 o    4.831000      0.9180000       5.750000 1.348000       3.912000       1.246000       1.838000       1.836000
  1 1 1       3  -24    2 o    3.895000      0.8175000       2.657000 1.208000       5.133000       1.102000      -2.477000       1.635000
  1 1 1       3  -24    3 o    3.203000      0.8227000       2.876000 1.145000       3.530000       1.181000     -0.6540000       1.645000
  1 1 1       3  -24    4 o    2.755000      0.7742000       3.333000 1.163000       2.177000       1.022000       1.156000       1.548000
  1 1 1       3  -24    5 o    2.417000      0.7438000       1.847000 0.8671000       2.987000       1.209000      -1.141000       1.488000
  1 1 1       3  -24    6 o    2.959000      0.7109000       2.823000 0.9567000       3.095000       1.052000     -0.2718000       1.422000
  1 1 1       3  -24    7 o    2.245000      0.6140000       1.539000 0.7251000       2.951000      0.9911000      -1.412000       1.228000
  1 1 1       3  -24    8 o    2.858000      0.6345000       2.905000 0.8199000       2.810000      0.9687000      0.9526000E-01   1.269000
  1 1 1       3  -24    9 o    2.148000      0.5945000       2.292000 0.8564000       2.004000      0.8246000      0.2880000       1.189000
  1 1 1       3  -24   10 o    5.716000      0.3433000       6.073000 0.4931000       5.360000      0.4778000      0.7125000      0.6866000
  1 1 1       3  -24   11 o    3.184000      0.5058000       2.471000 0.8052000       3.897000      0.6125000      -1.426000       1.012000
  1 1 1       3  -24   12 o    4.008000      0.4573000       3.560000 0.7363000       4.457000      0.5427000     -0.8976000      0.9146000
  1 1 1       3  -24   13 o    1.959000      0.5572000       2.185000 0.8507000       1.734000      0.7199000      0.4510000       1.114000
  1 1 1       3  -24   14 o    1.661000      0.5238000       2.036000 0.8553000       1.285000      0.6049000      0.7509000       1.048000
  1 1 1       3  -24   15 o    7.071000      0.5839000       7.985000 0.5159000       6.158000       1.048000       1.827000       1.168000
  1 1 1       3  -24   16 o    1.989000      0.5704000       2.052000 0.8529000       1.926000      0.7575000      0.1260000       1.141000
  1 1 1       3  -24   17 o    3.501000      0.6019000       3.477000 0.9318000       3.525000      0.7620000     -0.4754000E-01   1.204000
  1 1 1       3  -24   18 o    2.340000      0.6389000       2.271000 0.9304000       2.408000      0.8758000     -0.1368000       1.278000
  1 1 1       3  -24   19 o    2.322000      0.6444000       2.897000 1.027000       1.747000      0.7779000       1.150000       1.289000
  1 1 1       3  -24   20 o    2.696000      0.6534000       2.479000 0.9788000       2.913000      0.8660000     -0.4335000       1.307000
  1 1 1       3  -24   21 o    3.498000      0.5535000       2.253000 0.9077000       4.742000      0.6338000      -2.489000       1.107000
  1 1 1       3  -24   22 o    2.516000      0.6130000       3.285000 0.9494000       1.748000      0.7757000       1.538000       1.226000
  1 1 1       3  -24   23 o    2.239000      0.6267000       2.461000 0.9392000       2.017000      0.8299000      0.4447000       1.253000
  1 1 1       3  -24   24 o    1.857000      0.5802000       1.890000 0.8373000       1.824000      0.8034000      0.6592000E-01   1.160000
  1 1 1       3  -23    0 o    9.138000      0.4699000       9.861000 0.6440000       8.416000      0.6844000       1.446000      0.9397000
  1 1 1       3  -23    1 o    4.215000      0.8671000       4.725000 1.333000       3.705000       1.109000       1.021000       1.734000
  1 1 1       3  -23    2 o    5.669000       1.016000       4.861000 1.754000       6.477000       1.028000      -1.616000       2.033000
  1 1 1       3  -23    3 o    4.889000      0.7559000       4.032000 1.187000       5.747000      0.9363000      -1.715000       1.512000
  1 1 1       3  -23    4 o    5.134000      0.7460000       5.050000 0.9655000       5.218000       1.137000     -0.1675000       1.492000
  1 1 1       3  -23    5 o    5.055000      0.7448000       4.435000 1.073000       5.674000       1.033000      -1.239000       1.490000
  1 1 1       3  -23    6 o    3.875000      0.9159000       3.875000 0.9159000                  ?              ?              ?              ?
  1 1 1       3  -23    7 o    3.064000      0.6424000       2.871000 0.8544000       3.257000      0.9595000     -0.3862000       1.285000
  1 1 1       3  -23    8 o    6.053000      0.5997000                  ?       ?   6.053000      0.5997000                  ?              ?
  1 1 1       3  -23    9 o    1.814000      0.5491000       1.555000 0.7138000       2.073000      0.8345000     -0.5179000       1.098000
  1 1 1       3  -23   10 o    4.023000      0.4206000       4.215000 0.5688000       3.832000      0.6196000      0.3834000      0.8411000
  1 1 1       3  -23   11 o    3.846000      0.4401000       3.752000 0.6256000       3.940000      0.6191000     -0.1876000      0.8802000
  1 1 1       3  -23   12 o    2.086000      0.5270000       1.597000 0.7096000       2.574000      0.7793000     -0.9766000       1.054000
  1 1 1       3  -23   13 o    3.488000      0.4786000       4.356000 0.6316000       2.619000      0.7193000       1.737000      0.9572000
  1 1 1       3  -23   14 o    3.355000      0.5120000       3.669000 0.7685000       3.042000      0.6769000      0.6273000       1.024000
  1 1 1       3  -23   15 o    2.223000      0.4608000       1.397000 0.6736000       3.049000      0.6290000      -1.652000      0.9216000
  1 1 1       3  -23   16 o    2.097000      0.5806000       2.395000 0.9226000       1.799000      0.7052000      0.5955000       1.161000
  1 1 1       3  -23   17 o    4.210000      0.4835000       3.810000 0.8189000       4.611000      0.5144000     -0.8018000      0.9671000
  1 1 1       3  -23   18 o    2.968000      0.6024000       2.910000 0.9308000       3.025000      0.7650000     -0.1156000       1.205000
  1 1 1       3  -23   19 o    1.905000      0.5612000       2.320000 0.8920000       1.490000      0.6813000      0.8301000       1.122000
  1 1 1       3  -23   20 o    2.471000      0.6155000       2.375000 0.8959000       2.567000      0.8442000     -0.1913000       1.231000
  1 1 1       3  -23   21 o    2.525000      0.6075000       2.310000 0.8755000       2.740000      0.8424000     -0.4295000       1.215000
  1 1 1       3  -23   22 o    2.628000      0.6440000       2.904000 0.9487000       2.352000      0.8712000      0.5518000       1.288000
  1 1 1       3  -23   23 o    1.914000      0.5723000       1.711000 0.7832000       2.117000      0.8347000     -0.4060000       1.145000
  1 1 1       3  -23   24 o    2.952000      0.5920000       2.283000 0.8958000       3.620000      0.7744000      -1.337000       1.184000
  1 1 1       3  -23   25 o    3.227000      0.5987000       2.624000 0.9170000       3.830000      0.7701000      -1.206000       1.197000
  1 1 1       3  -23   26 o    2.729000      0.7869000       2.588000 1.090000       2.869000       1.135000     -0.2816000       1.574000
  1 1 1       3  -22    0 o    3.679000      0.7670000       3.964000 1.106000       3.394000       1.063000      0.5706000       1.534000
  1 1 1       3  -22    1 o    2.111000      0.7014000       2.357000 1.080000       1.864000      0.8951000      0.4940000       1.403000
  1 1 1       3  -22    2 o    2.886000      0.8283000       3.098000 1.219000       2.674000       1.121000      0.4240000       1.657000
  1 1 1       3  -22    3 o    6.877000      0.5077000       6.722000 0.7318000       7.033000      0.7038000     -0.3104000       1.015000
  1 1 1       3  -22    4 o    8.476000      0.4480000       8.783000 0.5915000       8.170000      0.6729000      0.6136000      0.8959000
  1 1 1       3  -22    5 o    6.728000      0.6104000       7.901000 0.6197000       5.555000       1.052000       2.346000       1.221000
  1 1 1       3  -22    6 o    2.892000      0.6743000       2.133000 0.9139000       3.651000      0.9917000      -1.518000       1.349000
  1 1 1       3  -22    7 o    2.807000      0.5977000       2.113000 0.8349000       3.501000      0.8556000      -1.388000       1.195000
  1 1 1       3  -22    8 o    6.287000      0.3359000       5.774000 0.4491000       6.801000      0.4997000      -1.027000      0.6718000
  1 1 1       3  -22    9 o    3.314000      0.5375000       2.992000 0.7776000       3.636000      0.7422000     -0.6432000       1.075000
  1 1 1       3  -22   10 o    3.226000      0.4975000       3.397000 0.6992000       3.056000      0.7079000      0.3409000      0.9950000
  1 1 1       3  -22   11 o    4.598000      0.3670000       4.323000 0.5700000       4.873000      0.4624000     -0.5505000      0.7340000
  1 1 1       3  -22   12 o    7.265000      0.2587000       7.282000 0.3792000       7.248000      0.3520000      0.3419000E-01  0.5173000
  1 1 1       3  -22   13 o    3.789000      0.4111000       4.023000 0.6428000       3.554000      0.5126000      0.4691000      0.8222000
  1 1 1       3  -22   14 o    2.265000      0.5554000       2.429000 0.8514000       2.102000      0.7136000      0.3265000       1.111000
  1 1 1       3  -22   15 o    3.478000      0.4889000       3.382000 0.8122000       3.574000      0.5443000     -0.1925000      0.9777000
  1 1 1       3  -22   16 o    6.493000      0.3025000       6.697000 0.4920000       6.289000      0.3522000      0.4077000      0.6050000
  1 1 1       3  -22   17 o    3.393000      0.5264000       4.064000 0.7685000       2.722000      0.7197000       1.342000       1.053000
  1 1 1       3  -22   18 o    1.892000      0.5060000       2.623000 0.8442000       1.162000      0.5581000       1.462000       1.012000
  1 1 1       3  -22   19 o    1.741000      0.5046000       2.275000 0.8246000       1.206000      0.5817000       1.070000       1.009000
  1 1 1       3  -22   20 o    4.003000      0.4759000       3.984000 0.7393000       4.021000      0.5995000     -0.3693000E-01  0.9519000
  1 1 1       3  -22   21 o    1.446000      0.4749000       1.441000 0.6849000       1.450000      0.6580000     -0.8216000E-02  0.9497000
  1 1 1       3  -22   22 o    2.197000      0.5938000       2.095000 0.8478000       2.298000      0.8315000     -0.2034000       1.188000
  1 1 1       3  -22   23 o    5.871000      0.3454000       5.860000 0.5170000       5.883000      0.4581000     -0.2239000E-01  0.6907000
  1 1 1       3  -22   24 o    2.370000      0.6008000       2.874000 0.9029000       1.866000      0.7930000       1.008000       1.202000
  1 1 1       3  -22   25 o    2.994000      0.5879000       3.357000 0.8091000       2.631000      0.8532000      0.7264000       1.176000
  1 1 1       3  -22   26 o    3.202000      0.6032000       2.823000 0.9030000       3.581000      0.8000000     -0.7576000       1.206000
  1 1 1       3  -22   27 o    2.695000      0.6416000       2.759000 0.9043000       2.631000      0.9104000      0.1276000       1.283000
  1 1 1       3  -21    0 o    2.837000      0.7132000       2.782000 1.026000       2.891000      0.9903000     -0.1086000       1.426000
  1 1 1       3  -21    1 o    3.378000      0.8022000       3.191000 1.207000       3.565000       1.057000     -0.3734000       1.604000
  1 1 1       3  -21    2 o    5.596000      0.6598000       6.009000 0.9641000       5.184000      0.9010000      0.8242000       1.320000
  1 1 1       3  -21    3 o    2.816000      0.7323000       2.203000 0.9807000       3.430000       1.088000      -1.226000       1.465000
  1 1 1       3  -21    4 o    2.191000      0.6797000       2.352000 0.9812000       2.030000      0.9408000      0.3220000       1.359000
  1 1 1       3  -21    5 o    4.305000      0.7528000       4.553000 0.9081000       4.057000       1.201000      0.4962000       1.506000
  1 1 1       3  -21    6 o    6.019000      0.4476000       6.281000 0.5428000       5.758000      0.7120000      0.5226000      0.8953000
  1 1 1       3  -21    7 o    4.496000      0.4426000       4.573000 0.5954000       4.420000      0.6550000      0.1532000      0.8852000
  1 1 1       3  -21    8 o    6.860000      0.3330000       6.616000 0.4453000       7.105000      0.4953000     -0.4885000      0.6660000
  1 1 1       3  -21    9 o    6.542000      0.3133000       6.535000 0.4470000       6.550000      0.4391000     -0.1573000E-01  0.6267000
  1 1 1       3  -21   10 o    5.948000      0.2716000       6.031000 0.3965000       5.865000      0.3713000      0.1662000      0.5432000
  1 1 1       3  -21   11 o    1.335000      0.4278000       1.279000 0.5927000       1.392000      0.6170000     -0.1123000      0.8555000
  1 1 1       3  -21   12 o    6.418000      0.2741000       6.599000 0.4051000       6.237000      0.3694000      0.3622000      0.5483000
  1 1 1       3  -21   13 o    4.614000      0.3290000       4.581000 0.5452000       4.646000      0.3686000     -0.6512000E-01  0.6581000
  1 1 1       3  -21   14 o    2.317000      0.4996000       1.863000 0.7730000       2.771000      0.6330000     -0.9072000      0.9991000
  1 1 1       3  -21   15 o    2.002000      0.5059000       1.681000 0.7447000       2.324000      0.6849000     -0.6425000       1.012000
  1 1 1       3  -21   16 f    5.709000      0.3215000       5.524000 0.5287000       5.895000      0.3658000     -0.3703000      0.6429000
  1 1 1       3  -21   17 o    2.240000      0.5341000       2.200000 0.8204000       2.281000      0.6842000     -0.8094000E-01   1.068000
  1 1 1       3  -21   18 o    1.710000      0.5085000       1.889000 0.7731000       1.532000      0.6607000      0.3569000       1.017000
  1 1 1       3  -21   19 o    2.144000      0.5512000       2.266000 0.8379000       2.022000      0.7163000      0.2439000       1.102000
  1 1 1       3  -21   20 o    2.610000      0.5299000       3.326000 0.7693000       1.894000      0.7289000       1.431000       1.060000
  1 1 1       3  -21   21 o    1.809000      0.5314000       1.913000 0.7901000       1.704000      0.7110000      0.2091000       1.063000
  1 1 1       3  -21   22 o    4.400000      0.3953000       4.428000 0.5850000       4.371000      0.5317000      0.5665000E-01  0.7905000
  1 1 1       3  -21   23 o    8.890000      0.2835000       9.336000 0.4498000       8.445000      0.3452000      0.8913000      0.5670000
  1 1 1       3  -21   24 o    4.859000      0.3936000       4.652000 0.6125000       5.066000      0.4943000     -0.4137000      0.7871000
  1 1 1       3  -21   25 o    2.442000      0.5990000       2.104000 0.8494000       2.781000      0.8448000     -0.6773000       1.198000
  1 1 1       3  -21   26 o    5.161000      0.4047000       5.119000 0.5915000       5.204000      0.5526000     -0.8512000E-01  0.8095000
  1 1 1       3  -21   27 o    2.484000      0.6001000       2.059000 0.8391000       2.910000      0.8582000     -0.8505000       1.200000
  1 1 1       3  -21   28 o    3.163000      0.5843000       3.898000 0.7530000       2.428000      0.8937000       1.470000       1.169000
  1 1 1       3  -20    0 f    3.668000      0.6575000       3.291000 0.9994000       4.044000      0.8545000     -0.7533000       1.315000
  1 1 1       3  -20    1 o    4.464000      0.7051000       3.579000 1.193000       5.349000      0.7527000      -1.770000       1.410000
  1 1 1       3  -20    2 o    2.875000      0.7686000       3.391000 1.172000       2.358000      0.9944000       1.034000       1.537000
  1 1 1       3  -20    3 o    2.908000      0.7569000       3.641000 1.175000       2.174000      0.9548000       1.467000       1.514000
  1 1 1       3  -20    4 o    5.551000      0.5819000       5.323000 0.7553000       5.779000      0.8854000     -0.4564000       1.164000
  1 1 1       3  -20    5 o    2.738000      0.7294000       3.134000 1.013000       2.342000       1.049000      0.7925000       1.459000
  1 1 1       3  -20    6 o    5.620000      0.4892000       5.657000 0.6418000       5.583000      0.7384000      0.7344000E-01  0.9783000
  1 1 1       3  -20    7 o    9.356000       1.006000       7.798000 1.965000       10.91000      0.4353000      -3.116000       2.012000
  1 1 1       3  -20    8 o    9.356000      0.2886000       9.432000 0.3856000       9.281000      0.4294000      0.1515000      0.5771000
  1 1 1       3  -20    9 o    5.536000      0.2994000       5.434000 0.4062000       5.638000      0.4401000     -0.2040000      0.5989000
  1 1 1       3  -20   10 o    7.255000      0.2462000       7.128000 0.3646000       7.383000      0.3310000     -0.2550000      0.4924000
  1 1 1       3  -20   11 o    2.657000      0.4899000       2.505000 0.7363000       2.810000      0.6464000     -0.3048000      0.9798000
  1 1 1       3  -20   12 f    1.868000      0.4915000       1.845000 0.7130000       1.891000      0.6766000     -0.4591000E-01  0.9830000
  1 1 1       3  -20   13 o    3.484000      0.4269000       2.813000 0.7518000       4.155000      0.4046000      -1.342000      0.8537000
  1 1 1       3  -20   14 o    2.353000      0.5017000       2.045000 0.7824000       2.662000      0.6282000     -0.6172000       1.003000
  1 1 1       3  -20   15 o    2.159000      0.5135000       2.070000 0.8060000       2.248000      0.6364000     -0.1788000       1.027000
  1 1 1       3  -20   16 o    1.792000      0.5121000       2.112000 0.8127000       1.472000      0.6232000      0.6403000       1.024000
  1 1 1       3  -20   17 o    7.390000      0.2342000       6.928000 0.3681000       7.852000      0.2895000     -0.9240000      0.4683000
  1 1 1       3  -20   18 o    1.682000      0.4919000       1.979000 0.7629000       1.385000      0.6212000      0.5941000      0.9838000
  1 1 1       3  -20   19 o    3.449000      0.4689000       2.983000 0.8025000       3.914000      0.4854000     -0.9307000      0.9379000
  1 1 1       3  -20   20 o    3.742000      0.4159000       4.067000 0.5834000       3.416000      0.5929000      0.6504000      0.8318000
  1 1 1       3  -20   21 f    4.230000      0.3470000       4.094000 0.5481000       4.365000      0.4259000     -0.2710000      0.6941000
  1 1 1       3  -20   22 o    3.573000      0.4226000       3.467000 0.6342000       3.679000      0.5586000     -0.2122000      0.8451000
  1 1 1       3  -20   23 o    3.223000      0.4699000       3.986000 0.5512000       2.459000      0.7612000       1.527000      0.9398000
  1 1 1       3  -20   24 o    3.419000      0.4835000       3.816000 0.6109000       3.023000      0.7497000      0.7931000      0.9671000
  1 1 1       3  -20   25 o    3.318000      0.5203000       3.422000 0.7372000       3.215000      0.7344000      0.2075000       1.041000
  1 1 1       3  -20   26 o    7.250000      0.3139000       7.539000 0.4657000       6.960000      0.4210000      0.5793000      0.6278000
  1 1 1       3  -20   27 o    7.096000      0.3026000       7.204000 0.4281000       6.989000      0.4279000      0.2141000      0.6053000
  1 1 1       3  -20   28 o    4.712000      0.4357000       4.351000 0.6646000       5.073000      0.5637000     -0.7221000      0.8714000
  1 1 1       3  -20   29 o    2.297000      0.6107000       2.083000 0.8400000       2.511000      0.8867000     -0.4274000       1.221000
  1 1 1       3  -19    0 o    2.978000      0.6556000       2.587000 0.9689000       3.369000      0.8833000     -0.7818000       1.311000
  1 1 1       3  -19    1 o    5.405000      0.6090000       4.485000 1.053000       6.324000      0.6121000      -1.839000       1.218000
  1 1 1       3  -19    2 o    2.997000      0.6491000       2.005000 0.9398000       3.989000      0.8957000      -1.984000       1.298000
  1 1 1       3  -19    3 o    2.960000      0.8183000       3.120000 1.251000       2.799000       1.055000      0.3208000       1.637000
  1 1 1       3  -19    4 o    5.434000      0.5301000       5.016000 0.6999000       5.852000      0.7963000     -0.8362000       1.060000
  1 1 1       3  -19    5 o    3.799000      0.7369000       3.542000 0.9384000       4.056000       1.136000     -0.5143000       1.474000
  1 1 1       3  -19    6 o    6.349000      0.4750000       7.234000 0.4916000       5.464000      0.8128000       1.770000      0.9500000
  1 1 1       3  -19    7 o    2.808000      0.7505000       2.808000 0.7505000                  ?              ?              ?              ?
  1 1 1       3  -19    8 o    5.272000      0.3591000       5.095000 0.4936000       5.449000      0.5217000     -0.3533000      0.7182000
  1 1 1       3  -19    9 o    9.549000      0.3532000                  ?       ?   9.549000      0.3532000                  ?              ?
  1 1 1       3  -19   10 o    4.961000      0.2987000       4.735000 0.4587000       5.186000      0.3826000     -0.4507000      0.5974000
  1 1 1       3  -19   11 o    3.579000      0.3823000       3.682000 0.5424000       3.476000      0.5388000      0.2060000      0.7645000
  1 1 1       3  -19   12 o    4.457000      0.3097000       4.620000 0.4983000       4.295000      0.3680000      0.3243000      0.6194000
  1 1 1       3  -19   13 o    5.731000      0.2831000       5.082000 0.4741000       6.380000      0.3097000      -1.298000      0.5663000
  1 1 1       3  -19   14 o    12.85000      0.2458000       12.64000 0.3723000       13.06000      0.3210000     -0.4273000      0.4916000
  1 1 1       3  -19   15 o    6.719000      0.2557000       6.629000 0.4022000       6.809000      0.3159000     -0.1794000      0.5114000
  1 1 1       3  -19   16 o    7.645000      0.2209000       7.494000 0.3470000       7.796000      0.2735000     -0.3016000      0.4418000
  1 1 1       3  -19   17 o    11.67000      0.2184000       11.46000 0.3212000       11.87000      0.2959000     -0.4061000      0.4367000
  1 1 1       3  -19   18 o    3.812000      0.4163000       3.073000 0.7463000       4.551000      0.3690000      -1.478000      0.8325000
  1 1 1       3  -19   19 o    6.981000      0.2302000       6.802000 0.3556000       7.159000      0.2924000     -0.3566000      0.4603000
  1 1 1       3  -19   20 o    4.973000      0.2827000       4.504000 0.4429000       5.442000      0.3516000     -0.9385000      0.5655000
  1 1 1       3  -19   21 o    2.085000      0.4942000       2.199000 0.7345000       1.971000      0.6615000      0.2277000      0.9884000
  1 1 1       3  -19   22 o    8.423000      0.2163000       8.382000 0.3206000       8.464000      0.2904000     -0.8204000E-01  0.4325000
  1 1 1       3  -19   23 o    2.012000      0.5130000       1.854000 0.7188000       2.170000      0.7321000     -0.3159000       1.026000
  1 1 1       3  -19   24 o    1.499000      0.4665000       1.622000 0.6937000       1.376000      0.6240000      0.2459000      0.9331000
  1 1 1       3  -19   25 o    3.845000      0.4083000       3.733000 0.5979000       3.957000      0.5561000     -0.2240000      0.8166000
  1 1 1       3  -19   26 o    6.577000      0.2891000       6.663000 0.4036000       6.492000      0.4140000      0.1714000      0.5781000
  1 1 1       3  -19   27 o    5.296000      0.3619000       5.764000 0.4827000       4.827000      0.5394000      0.9374000      0.7238000
  1 1 1       3  -19   28 o    2.728000      0.5843000       3.259000 0.7937000       2.197000      0.8578000       1.062000       1.169000
  1 1 1       3  -19   29 o    3.741000      0.5230000       3.060000 0.8331000       4.422000      0.6327000      -1.361000       1.046000
  1 1 1       3  -19   30 o    2.953000      0.6047000       2.978000 0.8414000       2.928000      0.8686000      0.5038000E-01   1.209000
  1 1 1       3  -18    0 o    5.853000      0.4706000       5.579000 0.7575000       6.126000      0.5585000     -0.5468000      0.9411000
  1 1 1       3  -18    1 o    2.239000      0.6697000       1.976000 0.9382000       2.503000      0.9559000     -0.5272000       1.339000
  1 1 1       3  -18    2 o    2.482000      0.7295000       2.435000 1.087000       2.528000      0.9732000     -0.9292000E-01   1.459000
  1 1 1       3  -18    3 o    5.056000      0.7186000       4.870000 1.224000       5.242000      0.7527000     -0.3715000       1.437000
  1 1 1       3  -18    4 f    3.979000      0.8942000       3.344000 1.384000       4.614000       1.133000      -1.270000       1.788000
  1 1 1       3  -18    5 o    3.591000       1.022000       3.347000 1.429000       3.834000       1.461000     -0.4871000       2.044000
  1 1 1       3  -18    7 o    1.812000      0.6464000       1.812000 0.6464000                  ?              ?              ?              ?
  1 1 1       3  -18    8 o    2.473000      0.4973000       2.884000 0.6552000       2.062000      0.7484000      0.8218000      0.9947000
  1 1 1       3  -18    9 o    6.824000       1.199000       6.548000 2.373000       7.101000      0.3421000     -0.5526000       2.397000
  1 1 1       3  -18   10 o    3.848000      0.3147000       3.842000 0.4653000       3.853000      0.4239000     -0.1110000E-01  0.6294000
  1 1 1       3  -18   11 o    11.89000      0.2690000       12.14000 0.3893000       11.64000      0.3715000      0.4956000      0.5381000
  1 1 1       3  -18   12 o    4.125000      0.3146000       3.759000 0.5304000       4.491000      0.3385000     -0.7313000      0.6292000
  1 1 1       3  -18   13 o    8.474000      0.2194000       8.626000 0.3437000       8.322000      0.2728000      0.3039000      0.4388000
  1 1 1       3  -18   14 o    2.786000      0.5604000       2.979000 0.6118000       2.592000      0.9392000      0.3872000       1.121000
  1 1 1       3  -18   15 o    4.728000      0.4598000       4.271000 0.7574000       5.185000      0.5215000     -0.9142000      0.9196000
  1 1 1       3  -18   16 o    2.558000      0.5826000       3.010000 0.8604000       2.106000      0.7858000      0.9047000       1.165000
  1 1 1       3  -18   17 o    14.27000      0.3251000       14.18000 0.4704000       14.37000      0.4488000     -0.1899000      0.6502000
  1 1 1       3  -18   18 o    11.06000      0.2799000       10.56000 0.3928000       11.56000      0.3987000     -0.9945000      0.5597000
  1 1 1       3  -18   19 o    4.087000      0.3591000       4.187000 0.4933000       3.988000      0.5220000      0.1980000      0.7182000
  1 1 1       3  -18   20 o    8.856000      0.2588000       8.894000 0.3636000       8.818000      0.3685000      0.7642000E-01  0.5177000
  1 1 1       3  -18   21 o    4.978000      0.3159000       5.019000 0.4427000       4.936000      0.4506000      0.8308000E-01  0.6317000
  1 1 1       3  -18   22 o    5.062000      0.2718000       4.979000 0.4058000       5.144000      0.3617000     -0.1644000      0.5436000
  1 1 1       3  -18   23 o    4.850000      0.2734000       4.901000 0.3724000       4.798000      0.4003000      0.1029000      0.5468000
  1 1 1       3  -18   24 o    3.867000      0.3593000       3.756000 0.5250000       3.978000      0.4907000     -0.2222000      0.7186000
  1 1 1       3  -18   25 o    5.820000      0.2824000       5.920000 0.3971000       5.720000      0.4015000      0.2002000      0.5647000
  1 1 1       3  -18   26 o    8.526000      0.2439000       8.459000 0.3524000       8.593000      0.3373000     -0.1336000      0.4878000
  1 1 1       3  -18   27 o    2.215000      0.5319000       1.582000 0.7010000       2.849000      0.8003000      -1.267000       1.064000
  1 1 1       3  -18   28 o    6.664000      0.3295000       6.947000 0.4909000       6.380000      0.4396000      0.5666000      0.6590000
  1 1 1       3  -18   29 o    2.941000      0.5648000       3.221000 0.7400000       2.660000      0.8535000      0.5604000       1.130000
  1 1 1       3  -18   30 o    2.820000      0.5919000       3.118000 0.8001000       2.522000      0.8724000      0.5955000       1.184000
  1 1 1       3  -18   31 o    2.913000      0.7431000       2.540000 1.063000       3.286000       1.039000     -0.7460000       1.486000
  1 1 1       3  -17    0 o    6.674000      0.3366000       6.260000 0.5222000       7.089000      0.4248000     -0.8286000      0.6732000
  1 1 1       3  -17    1 o    2.292000      0.6591000       2.934000 1.080000       1.650000      0.7561000       1.284000       1.318000
  1 1 1       3  -17    2 o    4.480000      0.6290000       5.019000 0.9545000       3.940000      0.8195000       1.080000       1.258000
  1 1 1       3  -17    3 o    6.501000      0.4470000       6.662000 0.7085000       6.339000      0.5451000      0.3233000      0.8939000
  1 1 1       3  -17    4 o    4.338000      0.6177000       4.176000 0.8470000       4.501000      0.8993000     -0.3251000       1.235000
  1 1 1       3  -17    5 o    2.206000      0.6474000       1.926000 0.8243000       2.487000      0.9984000     -0.5610000       1.295000
  1 1 1       3  -17    6 o    2.619000      0.6749000       2.352000 0.8424000       2.886000       1.055000     -0.5344000       1.350000
  1 1 1       3  -17    7 o    2.510000      0.5250000       2.737000 0.7131000       2.284000      0.7706000      0.4536000       1.050000
  1 1 1       3  -17    8 o    3.145000      0.4427000       3.502000 0.5481000       2.787000      0.6953000      0.7149000      0.8854000
  1 1 1       3  -17    9 o    6.590000      0.2409000       6.281000 0.3447000       6.900000      0.3367000     -0.6187000      0.4819000
  1 1 1       3  -17   10 o    11.10000      0.2551000       11.07000 0.3615000       11.14000      0.3601000     -0.7210000E-01  0.5103000
  1 1 1       3  -17   11 o    9.534000      0.2418000       9.603000 0.3524000       9.465000      0.3311000      0.1377000      0.4836000
  1 1 1       3  -17   12 o    4.823000      0.2679000       4.760000 0.4157000       4.885000      0.3381000     -0.1253000      0.5358000
  1 1 1       3  -17   14 o    6.402000      0.2778000       5.980000 0.4413000       6.824000      0.3374000     -0.8435000      0.5555000
  1 1 1       3  -17   15 o    5.200000      0.2542000       5.138000 0.3508000       5.262000      0.3680000     -0.1232000      0.5084000
  1 1 1       3  -17   16 o    8.826000      0.1976000       8.821000 0.2954000       8.830000      0.2625000     -0.8585000E-02  0.3952000
  1 1 1       3  -17   17 f    7.301000      0.1977000       7.117000 0.2927000       7.485000      0.2659000     -0.3681000      0.3954000
  1 1 1       3  -17   18 o    3.863000      0.2711000       3.770000 0.4044000       3.955000      0.3611000     -0.1852000      0.5421000
  1 1 1       3  -17   19 o    3.712000      0.2915000       3.977000 0.4052000       3.446000      0.4190000      0.5307000      0.5829000
  1 1 1       3  -17   20 o    13.68000      0.2229000       13.81000 0.3253000       13.54000      0.3047000      0.2721000      0.4458000
  1 1 1       3  -17   21 o    1.949000      0.4480000       1.693000 0.6337000       2.205000      0.6335000     -0.5118000      0.8961000
  1 1 1       3  -17   22 o    3.975000      0.3345000       3.955000 0.3966000       3.995000      0.5389000     -0.4028000E-01  0.6691000
  1 1 1       3  -17   23 o    2.003000      0.5289000       1.884000 0.6949000       2.123000      0.7976000     -0.2389000       1.058000
  1 1 1       3  -17   24 o    5.162000      0.3289000       5.041000 0.4234000       5.283000      0.5034000     -0.2418000      0.6577000
  1 1 1       3  -17   25 o    6.072000      0.3161000       6.204000 0.3946000       5.940000      0.4938000      0.2634000      0.6322000
  1 1 1       3  -17   26 o    1.666000      0.4935000       1.656000 0.6801000       1.676000      0.7153000     -0.2006000E-01  0.9870000
  1 1 1       3  -17   27 o    2.440000      0.5469000       2.283000 0.7546000       2.597000      0.7919000     -0.3136000       1.094000
  1 1 1       3  -17   28 o    7.661000      0.2637000       7.613000 0.3620000       7.708000      0.3835000     -0.9435000E-01  0.5274000
  1 1 1       3  -17   29 o    3.436000      0.5282000       3.456000 0.7216000       3.416000      0.7714000      0.4052000E-01   1.056000
  1 1 1       3  -17   30 o    2.514000      0.6064000       2.684000 0.8490000       2.344000      0.8661000      0.3405000       1.213000
  1 1 1       3  -17   31 o    3.150000      0.5652000       2.419000 0.8423000       3.881000      0.7539000      -1.462000       1.130000
  1 1 1       3  -16    0 o    4.044000       1.099000       4.411000 1.441000       3.677000       1.660000      0.7336000       2.198000
  1 1 1       3  -16    1 o    5.530000       1.288000       5.023000 1.477000       6.038000       2.109000      -1.015000       2.575000
  1 1 1       3  -16    2 o    6.065000       1.215000       6.303000 1.162000       5.827000       2.133000      0.4751000       2.429000
  1 1 1       3  -16    3 o    7.369000       1.099000       7.919000 0.8999000       6.818000       2.005000       1.101000       2.197000
  1 1 1       3  -16    4 o    3.507000      0.7569000       3.159000 1.007000       3.854000       1.130000     -0.6950000       1.514000
  1 1 1       3  -16    5 o    6.390000      0.4824000       6.546000 0.5432000       6.234000      0.7974000      0.3116000      0.9649000
  1 1 1       3  -16    6 o    9.821000      0.3154000       10.09000 0.4269000       9.556000      0.4644000      0.5298000      0.6308000
  1 1 1       3  -16    7 o    6.374000      0.2716000       6.689000 0.3477000       6.059000      0.4172000      0.6301000      0.5431000
  1 1 1       3  -16    8 o    5.453000      0.2799000       5.655000 0.3404000       5.250000      0.4446000      0.4054000      0.5599000
  1 1 1       3  -16    9 o    3.870000      0.2830000       3.780000 0.4166000       3.960000      0.3831000     -0.1801000      0.5659000
  1 1 1       3  -16   10 o    7.934000      0.2056000       7.890000 0.3086000       7.977000      0.2718000     -0.8721000E-01  0.4113000
  1 1 1       3  -16   11 o    13.07000      0.2406000       13.04000 0.3686000       13.11000      0.3094000     -0.6951000E-01  0.4812000
  1 1 1       3  -16   12 o    3.604000      0.3066000       3.640000 0.4885000       3.568000      0.3707000      0.7136000E-01  0.6132000
  1 1 1       3  -16   13 o    5.491000      0.2365000       5.199000 0.3573000       5.783000      0.3101000     -0.5839000      0.4731000
  1 1 1       3  -16   14 o    6.204000      0.2010000       6.121000 0.3128000       6.287000      0.2526000     -0.1668000      0.4021000
  1 1 1       3  -16   15 o    6.489000      0.2025000       6.345000 0.3146000       6.633000      0.2551000     -0.2884000      0.4050000
  1 1 1       3  -16   16 f    6.702000      0.1958000       6.540000 0.2941000       6.864000      0.2586000     -0.3240000      0.3916000
  1 1 1       3  -16   17 o    2.204000      0.5303000       2.996000 0.8573000       1.413000      0.6245000       1.582000       1.061000
  1 1 1       3  -16   18 o    11.38000      0.2977000       11.49000 0.4520000       11.28000      0.3875000      0.2172000      0.5953000
  1 1 1       3  -16   19 o    10.35000      0.3044000       9.659000 0.4590000       11.04000      0.4000000      -1.383000      0.6088000
  1 1 1       3  -16   20 o    13.57000      0.3291000       13.56000 0.4880000       13.59000      0.4417000     -0.3474000E-01  0.6582000
  1 1 1       3  -16   21 o    9.831000      0.3227000       9.783000 0.5025000       9.880000      0.4051000     -0.9756000E-01  0.6454000
  1 1 1       3  -16   22 o    6.414000      0.2048000       6.489000 0.2948000       6.338000      0.2843000      0.1516000      0.4095000
  1 1 1       3  -16   23 o    6.129000      0.2255000       6.329000 0.3116000       5.930000      0.3260000      0.3998000      0.4510000
  1 1 1       3  -16   24 o    1.912000      0.4608000       2.208000 0.6464000       1.617000      0.6569000      0.5916000      0.9216000
  1 1 1       3  -16   25 o    1.504000      0.4505000       1.482000 0.6195000       1.525000      0.6542000     -0.4224000E-01  0.9010000
  1 1 1       3  -16   26 o    5.048000      0.3226000       4.722000 0.3762000       5.375000      0.5241000     -0.6526000      0.6452000
  1 1 1       3  -16   27 o    1.924000      0.5287000       2.239000 0.7629000       1.610000      0.7321000      0.6283000       1.057000
  1 1 1       3  -16   28 o    3.402000      0.5458000       4.546000 0.6047000       2.259000      0.9088000       2.287000       1.092000
  1 1 1       3  -16   29 o    2.761000      0.5673000       2.248000 0.8163000       3.274000      0.7880000      -1.026000       1.135000
  1 1 1       3  -16   30 o    2.262000      0.5742000       1.797000 0.7620000       2.728000      0.8591000     -0.9312000       1.148000
  1 1 1       3  -16   31 o    1.579000      0.5101000       1.368000 0.6508000       1.789000      0.7857000     -0.4206000       1.020000
  1 1 1       3  -16   32 o    2.651000      0.5975000       2.857000 0.8368000       2.446000      0.8531000      0.4113000       1.195000
  1 1 1       3  -15    0 o    2.666000      0.5611000       2.378000 0.8499000       2.955000      0.7326000     -0.5770000       1.122000
  1 1 1       3  -15    1 o    5.737000      0.4660000       5.095000 0.7590000       6.379000      0.5410000      -1.283000      0.9321000
  1 1 1       3  -15    2 o    3.966000      0.6370000       3.407000 1.052000       4.524000      0.7189000      -1.117000       1.274000
  1 1 1       3  -15    3 o    9.376000      0.3765000       8.832000 0.5906000       9.920000      0.4671000      -1.088000      0.7530000
  1 1 1       3  -15    4 o    4.039000      0.7080000       3.520000 0.9746000       4.558000       1.027000      -1.037000       1.416000
  1 1 1       3  -15    5 o    8.483000      0.3632000       8.749000 0.4370000       8.218000      0.5802000      0.5309000      0.7263000
  1 1 1       3  -15    6 o    3.369000      0.5746000       4.339000 0.6284000       2.399000      0.9622000       1.940000       1.149000
  1 1 1       3  -15    7 o    8.329000      0.2476000       8.233000 0.3353000       8.425000      0.3646000     -0.1919000      0.4953000
  1 1 1       3  -15    8 f    6.364000      0.3289000       6.364000 0.3289000                  ?              ?              ?              ?
  1 1 1       3  -15    9 o    4.865000      0.2301000       5.026000 0.3254000       4.704000      0.3254000      0.3223000      0.4602000
  1 1 1       3  -15   10 o    2.754000      0.4217000                  ?       ?   2.754000      0.4217000                  ?              ?
  1 1 1       3  -15   11 o    3.754000      0.2612000       4.004000 0.3962000       3.505000      0.3405000      0.4990000      0.5224000
  1 1 1       3  -15   12 o    1.910000      0.4102000       2.134000 0.6188000       1.687000      0.5387000      0.4472000      0.8205000
  1 1 1       3  -15   13 o    3.859000      0.2551000       3.549000 0.4181000       4.170000      0.2925000     -0.6209000      0.5103000
  1 1 1       3  -15   14 o    13.62000      0.2133000       13.62000 0.3101000       13.61000      0.2929000      0.9576000E-02  0.4265000
  1 1 1       3  -15   15 o    11.90000      0.1956000       11.80000 0.2822000       12.00000      0.2708000     -0.1989000      0.3911000
  1 1 1       3  -15   16 o    3.980000      0.2312000       3.927000 0.3597000       4.034000      0.2906000     -0.1076000      0.4624000
  1 1 1       3  -15   17 o    6.162000      0.1866000       5.824000 0.2800000       6.501000      0.2468000     -0.6767000      0.3733000
  1 1 1       3  -15   18 o    9.799000      0.1840000       9.664000 0.2685000       9.935000      0.2516000     -0.2713000      0.3679000
  1 1 1       3  -15   19 o    12.23000      0.2026000       12.12000 0.2892000       12.35000      0.2838000     -0.2334000      0.4052000
  1 1 1       3  -15   20 o    9.884000      0.1908000       9.615000 0.2770000       10.15000      0.2625000     -0.5365000      0.3816000
  1 1 1       3  -15   21 o    7.729000      0.1932000       7.491000 0.2721000       7.967000      0.2743000     -0.4759000      0.3863000
  1 1 1       3  -15   22 o    4.481000      0.4939000       4.321000 0.8141000       4.641000      0.5593000     -0.3194000      0.9877000
  1 1 1       3  -15   23 o    2.491000      0.5647000       1.774000 0.8275000       3.208000      0.7686000      -1.434000       1.129000
  1 1 1       3  -15   24 o    5.892000      0.4569000       5.897000 0.7588000       5.886000      0.5092000      0.1055000E-01  0.9138000
  1 1 1       3  -15   25 o    7.226000      0.4325000       6.385000 0.7323000       8.066000      0.4602000      -1.681000      0.8649000
  1 1 1       3  -15   26 o    3.989000      0.3618000       3.589000 0.5431000       4.389000      0.4782000     -0.8001000      0.7236000
  1 1 1       3  -15   27 o    2.171000      0.5260000       2.149000 0.7302000       2.192000      0.7573000     -0.4250000E-01   1.052000
  1 1 1       3  -15   28 o    3.370000      0.4729000       3.605000 0.6081000       3.134000      0.7243000      0.4714000      0.9457000
  1 1 1       3  -15   29 o    6.050000      0.3933000       6.321000 0.4595000       5.779000      0.6386000      0.5427000      0.7867000
  1 1 1       3  -15   30 o    2.213000      0.6333000       1.673000 0.7630000       2.752000       1.011000      -1.079000       1.267000
  1 1 1       3  -15   31 o    2.498000      0.6541000       1.736000 0.7820000       3.260000       1.049000      -1.524000       1.308000
  1 1 1       3  -15   32 o    2.369000      0.6036000       2.428000 0.8459000       2.309000      0.8612000      0.1193000       1.207000
  1 1 1       3  -15   33 f    2.018000      0.5633000       2.293000 0.8260000       1.743000      0.7660000      0.5502000       1.127000
  1 1 1       3  -14    0 o    5.427000      0.3018000       5.399000 0.4482000       5.455000      0.4043000     -0.5627000E-01  0.6036000
  1 1 1       3  -14    1 o    7.794000      0.3380000       7.701000 0.5167000       7.887000      0.4357000     -0.1863000      0.6759000
  1 1 1       3  -14    2 o    2.887000      0.6665000       3.456000 1.014000       2.319000      0.8648000       1.136000       1.333000
  1 1 1       3  -14    3 o    2.134000      0.6573000       2.439000 1.028000       1.830000      0.8198000      0.6088000       1.315000
  1 1 1       3  -14    4 o    7.678000      0.4515000       7.952000 0.6194000       7.405000      0.6571000      0.5470000      0.9030000
  1 1 1       3  -14    5 o    4.260000      0.5656000       4.361000 0.6570000       4.159000      0.9207000      0.2027000       1.131000
  1 1 1       3  -14    6 o    8.213000      0.3474000       8.754000 0.3855000       7.672000      0.5780000       1.082000      0.6948000
  1 1 1       3  -14    7 o    5.386000      0.2594000       5.488000 0.3355000       5.284000      0.3957000      0.2041000      0.5188000
  1 1 1       3  -14    8 o    11.05000      0.3528000       11.05000 0.3528000                  ?              ?              ?              ?
  1 1 1       3  -14    9 o    10.16000      0.2151000       10.11000 0.3229000       10.21000      0.2843000     -0.9963000E-01  0.4303000
  1 1 1       3  -14   10 o    5.041000      0.2638000                  ?       ?   5.041000      0.2638000                  ?              ?
  1 1 1       3  -14   11 o    6.915000      0.1850000       6.844000 0.2868000       6.986000      0.2338000     -0.1426000      0.3700000
  1 1 1       3  -14   12 o    5.077000      0.1890000       5.308000 0.2943000       4.845000      0.2372000      0.4631000      0.3780000
  1 1 1       3  -14   13 o    3.840000      0.2212000       4.239000 0.3293000       3.441000      0.2955000      0.7983000      0.4424000
  1 1 1       3  -14   14 f    8.501000      0.1690000       8.521000 0.2475000       8.481000      0.2302000      0.4045000E-01  0.3380000
  1 1 1       3  -14   15 o    7.493000      0.1603000       7.434000 0.2356000       7.551000      0.2175000     -0.1170000      0.3207000
  1 1 1       3  -14   16 f    4.731000      0.1907000       4.900000 0.2751000       4.563000      0.2643000      0.3365000      0.3815000
  1 1 1       3  -14   17 o    5.706000      0.1846000       5.779000 0.2664000       5.633000      0.2555000      0.1466000      0.3691000
  1 1 1       3  -14   18 o    2.366000      0.3512000       2.494000 0.4556000       2.239000      0.5346000      0.2547000      0.7024000
  1 1 1       3  -14   19 o    5.306000      0.1943000       5.345000 0.2684000       5.267000      0.2810000      0.7843000E-01  0.3885000
  1 1 1       3  -14   20 f    4.754000      0.2212000       4.776000 0.3092000       4.732000      0.3165000      0.4463000E-01  0.4425000
  1 1 1       3  -14   21 o    4.847000      0.2284000       4.929000 0.3085000       4.765000      0.3368000      0.1641000      0.4567000
  1 1 1       3  -14   22 o    7.528000      0.1977000       7.602000 0.2711000       7.453000      0.2879000      0.1490000      0.3954000
  1 1 1       3  -14   23 o    6.261000      0.2121000       6.364000 0.2858000       6.159000      0.3133000      0.2047000      0.4241000
  1 1 1       3  -14   24 o    2.453000      0.4406000       2.477000 0.5897000       2.428000      0.6547000      0.4952000E-01  0.8812000
  1 1 1       3  -14   25 o    1.701000      0.4769000       1.611000 0.6469000       1.792000      0.7010000     -0.1810000      0.9539000
  1 1 1       3  -14   26 o    4.838000      0.5998000       4.671000 1.016000       5.005000      0.6372000     -0.3345000       1.200000
  1 1 1       3  -14   27 o    3.315000      0.7192000       3.079000 1.150000       3.552000      0.8644000     -0.4722000       1.438000
  1 1 1       3  -14   28 o    2.696000      0.5603000       2.766000 0.6548000       2.626000      0.9094000      0.1400000       1.121000
  1 1 1       3  -14   29 o    6.271000      0.2938000       6.514000 0.3831000       6.029000      0.4457000      0.4847000      0.5877000
  1 1 1       3  -14   30 o    2.943000      0.5265000       3.283000 0.6622000       2.604000      0.8189000      0.6791000       1.053000
  1 1 1       3  -14   31 o    3.669000      0.6365000       3.848000 0.7373000       3.490000       1.038000      0.3584000       1.273000
  1 1 1       3  -14   32 o    2.531000      0.6450000       1.884000 0.8098000       3.179000       1.004000      -1.295000       1.290000
  1 1 1       3  -14   33 o    3.581000      0.5676000       3.569000 0.8646000       3.594000      0.7355000     -0.2484000E-01   1.135000
  1 1 1       3  -13    0 o    5.570000      0.2743000       5.304000 0.4166000       5.836000      0.3568000     -0.5320000      0.5485000
  1 1 1       3  -13    1 o    11.51000      0.2818000       11.49000 0.3998000       11.53000      0.3971000     -0.4475000E-01  0.5635000
  1 1 1       3  -13    2 o    6.851000      0.3596000       6.629000 0.5743000       7.073000      0.4330000     -0.4445000      0.7193000
  1 1 1       3  -13    3 o    6.533000      0.5184000       6.087000 0.9083000       6.980000      0.5000000     -0.8925000       1.037000
  1 1 1       3  -13    4 o    9.851000      0.7177000       8.757000 1.324000       10.94000      0.5550000      -2.188000       1.435000
  1 1 1       3  -13    5 o    4.764000      0.5011000       4.792000 0.5770000       4.737000      0.8194000      0.5498000E-01   1.002000
  1 1 1       3  -13    6 o    12.44000      0.2816000       13.12000 0.4105000       11.75000      0.3856000       1.373000      0.5632000
  1 1 1       3  -13    7 o    7.009000      0.2293000       7.083000 0.3012000       6.935000      0.3457000      0.1482000      0.4585000
  1 1 1       3  -13    8 o    3.440000      0.3332000       4.019000 0.3548000       2.862000      0.5642000       1.157000      0.6665000
  1 1 1       3  -13    9 o    6.447000      0.1866000       6.312000 0.2756000       6.582000      0.2517000     -0.2703000      0.3733000
  1 1 1       3  -13   10 o    5.341000      0.1993000       4.889000 0.3144000       5.793000      0.2449000     -0.9038000      0.3986000
  1 1 1       3  -13   11 o    3.502000      0.2529000       3.067000 0.4354000       3.936000      0.2575000     -0.8686000      0.5058000
  1 1 1       3  -13   12 o    6.086000      0.1665000       6.186000 0.2543000       5.987000      0.2149000      0.1984000      0.3330000
  1 1 1       3  -13   13 o    4.134000      0.2039000       3.913000 0.3249000       4.356000      0.2465000     -0.4429000      0.4078000
  1 1 1       3  -13   14 o    7.902000      0.1557000       7.597000 0.2269000       8.207000      0.2132000     -0.6098000      0.3114000
  1 1 1       3  -13   15 o    4.159000      0.1905000       4.393000 0.2705000       3.924000      0.2684000      0.4689000      0.3810000
  1 1 1       3  -13   16 o    2.083000      0.3454000       2.494000 0.4387000       1.672000      0.5336000      0.8224000      0.6908000
  1 1 1       3  -13   17 o    5.496000      0.1759000       5.198000 0.2528000       5.793000      0.2448000     -0.5953000      0.3519000
  1 1 1       3  -13   18 o    2.525000      0.3231000       2.341000 0.4692000       2.709000      0.4444000     -0.3676000      0.6462000
  1 1 1       3  -13   19 o    7.535000      0.1780000       7.633000 0.2525000       7.438000      0.2511000      0.1954000      0.3561000
  1 1 1       3  -13   20 o    6.640000      0.1869000       6.779000 0.2578000       6.501000      0.2706000      0.2778000      0.3738000
  1 1 1       3  -13   21 o    7.135000      0.1897000       7.045000 0.2623000       7.224000      0.2740000     -0.1784000      0.3793000
  1 1 1       3  -13   22 o    1.681000      0.4378000       1.400000 0.5855000       1.962000      0.6509000     -0.5623000      0.8755000
  1 1 1       3  -13   23 o    5.010000      0.2351000       4.492000 0.3379000       5.527000      0.3271000      -1.035000      0.4702000
  1 1 1       3  -13   24 o    9.679000      0.2060000       9.507000 0.2922000       9.851000      0.2906000     -0.3442000      0.4121000
  1 1 1       3  -13   25 o    2.961000      0.4092000       3.053000 0.5044000       2.870000      0.6444000      0.1823000      0.8184000
  1 1 1       3  -13   26 o    5.292000      0.2736000       5.307000 0.3647000       5.276000      0.4079000      0.3055000E-01  0.5471000
  1 1 1       3  -13   27 o    6.661000      0.2541000       6.294000 0.3515000       7.029000      0.3671000     -0.7352000      0.5083000
  1 1 1       3  -13   28 o    4.480000      0.6420000       3.570000 1.112000       5.391000      0.6429000      -1.822000       1.284000
  1 1 1       3  -13   29 o    5.736000      0.5822000       5.504000 0.9817000       5.969000      0.6263000     -0.4650000       1.164000
  1 1 1       3  -13   30 o    4.389000      0.4986000       4.885000 0.4044000       3.893000      0.9116000      0.9919000      0.9972000
  1 1 1       3  -13   31 o    4.920000      0.3707000       4.371000 0.5374000       5.468000      0.5107000      -1.097000      0.7414000
  1 1 1       3  -13   32 f    3.168000      0.5583000       3.384000 0.7358000       2.953000      0.8398000      0.4309000       1.117000
  1 1 1       3  -13   33 o    1.895000      0.5963000       1.712000 0.7691000       2.077000      0.9116000     -0.3650000       1.193000
  1 1 1       3  -13   34 o    2.803000      0.6882000       2.944000 0.9353000       2.663000       1.010000      0.2809000       1.376000
  1 1 1       3  -12    0 o    7.788000      0.2208000       7.604000 0.3109000       7.972000      0.3137000     -0.3687000      0.4417000
  1 1 1       3  -12    1 o    12.91000      0.2662000       12.65000 0.3678000       13.17000      0.3849000     -0.5159000      0.5323000
  1 1 1       3  -12    2 o    5.306000      0.4739000       5.262000 0.8272000       5.350000      0.4627000     -0.8845000E-01  0.9478000
  1 1 1       3  -12    3 o    6.195000      0.4070000       6.112000 0.6450000       6.278000      0.4965000     -0.1655000      0.8139000
  1 1 1       3  -12    4 f    4.349000      0.6410000       4.836000 0.8565000       3.863000      0.9539000      0.9728000       1.282000
  1 1 1       3  -12    5 o    6.652000      0.3688000       7.441000 0.4080000       5.863000      0.6145000       1.578000      0.7376000
  1 1 1       3  -12    6 o    6.668000      0.2990000       6.786000 0.3712000       6.551000      0.4687000      0.2345000      0.5979000
  1 1 1       3  -12    7 o    4.695000      0.2542000       4.158000 0.3511000       5.233000      0.3677000      -1.076000      0.5085000
  1 1 1       3  -12    8 o    1.509000      0.3816000       1.141000 0.5042000       1.877000      0.5730000     -0.7366000      0.7633000
  1 1 1       3  -12    9 o    2.124000      0.3342000       2.085000 0.4968000       2.163000      0.4471000     -0.7787000E-01  0.6683000
  1 1 1       3  -12   10 o    3.498000      0.2310000       3.710000 0.3524000       3.287000      0.2987000      0.4236000      0.4620000
  1 1 1       3  -12   11 o    4.300000      0.1864000       4.304000 0.2823000       4.296000      0.2434000      0.8041000E-02  0.3728000
  1 1 1       3  -12   12 o    4.131000      0.1917000       4.180000 0.2893000       4.082000      0.2517000      0.9755000E-01  0.3835000
  1 1 1       3  -12   13 o    3.810000      0.1814000       3.607000 0.2754000       4.013000      0.2361000     -0.4061000      0.3627000
  1 1 1       3  -12   14 f    5.930000      0.1548000       5.707000 0.2281000       6.152000      0.2094000     -0.4453000      0.3096000
  1 1 1       3  -12   15 o    1.999000      0.3305000       2.163000 0.4501000       1.834000      0.4840000      0.3286000      0.6610000
  1 1 1       3  -12   16 o    6.325000      0.1579000       6.503000 0.2271000       6.148000      0.2195000      0.3549000      0.3158000
  1 1 1       3  -12   17 o    2.033000      0.3492000       2.218000 0.4527000       1.848000      0.5318000      0.3706000      0.6984000
  1 1 1       3  -12   18 o    3.810000      0.2288000       3.845000 0.3109000       3.775000      0.3359000      0.6973000E-01  0.4577000
  1 1 1       3  -12   19 o    8.284000      0.1775000       8.383000 0.2509000       8.186000      0.2511000      0.1974000      0.3550000
  1 1 1       3  -12   20 o    5.814000      0.1945000       6.121000 0.2625000       5.507000      0.2870000      0.6143000      0.3890000
  1 1 1       3  -12   21 o    3.657000      0.2831000       3.491000 0.4047000       3.823000      0.3961000     -0.3319000      0.5663000
  1 1 1       3  -12   22 o    1.981000      0.4395000       2.200000 0.5885000       1.763000      0.6529000      0.4376000      0.8790000
  1 1 1       3  -12   23 o    1.933000      0.4320000       1.538000 0.5871000       2.328000      0.6339000     -0.7902000      0.8640000
  1 1 1       3  -12   24 o    9.170000      0.2037000       9.009000 0.2879000       9.332000      0.2883000     -0.3234000      0.4075000
  1 1 1       3  -12   25 o    7.070000      0.2168000       6.873000 0.2950000       7.267000      0.3178000     -0.3940000      0.4336000
  1 1 1       3  -12   26 f    7.756000      0.2244000       7.371000 0.3092000       8.140000      0.3254000     -0.7690000      0.4488000
  1 1 1       3  -12   27 o    3.946000      0.3646000       4.109000 0.4457000       3.783000      0.5770000      0.3254000      0.7291000
  1 1 1       3  -12   28 o    2.919000      0.4757000       3.658000 0.5510000       2.180000      0.7755000       1.477000      0.9513000
  1 1 1       3  -12   29 o    8.182000      0.2440000       7.976000 0.3497000       8.387000      0.3403000     -0.4103000      0.4879000
  1 1 1       3  -12   30 o    5.721000      0.5609000       5.755000 0.9319000       5.688000      0.6245000      0.6734000E-01   1.122000
  1 1 1       3  -12   31 o    5.565000      0.6415000       4.390000 1.133000       6.741000      0.6013000      -2.351000       1.283000
  1 1 1       3  -12   32 o    1.589000      0.5062000       1.443000 0.6628000       1.735000      0.7652000     -0.2918000       1.012000
  1 1 1       3  -12   33 f    5.016000      0.3759000       4.746000 0.5361000       5.286000      0.5271000     -0.5398000      0.7518000
  1 1 1       3  -12   34 o    2.810000      0.5563000       3.230000 0.7422000       2.389000      0.8289000      0.8409000       1.113000
  1 1 1       3  -11    0 o    10.86000      0.2107000       10.74000 0.2844000       10.99000      0.3110000     -0.2468000      0.4214000
  1 1 1       3  -11    1 o    11.49000      0.2412000       11.59000 0.3317000       11.39000      0.3504000      0.2035000      0.4825000
  1 1 1       3  -11    2 o    3.878000      0.4475000       4.151000 0.6725000       3.605000      0.5904000      0.5458000      0.8949000
  1 1 1       3  -11    3 o    13.19000      0.2849000       12.98000 0.3979000       13.40000      0.4079000     -0.4171000      0.5699000
  1 1 1       3  -11    4 o    8.474000      0.3412000       8.263000 0.4815000       8.685000      0.4835000     -0.4221000      0.6824000
  1 1 1       3  -11    5 f    9.932000      0.2742000       9.954000 0.3820000       9.910000      0.3934000      0.4388000E-01  0.5483000
  1 1 1       3  -11    6 o    12.17000      0.2545000       12.32000 0.3761000       12.02000      0.3428000      0.3006000      0.5089000
  1 1 1       3  -11    7 o    6.752000      0.2152000       6.619000 0.2852000       6.885000      0.3225000     -0.2663000      0.4305000
  1 1 1       3  -11    8 o    14.28000      0.2359000       14.29000 0.3569000       14.27000      0.3086000      0.1131000E-01  0.4718000
  1 1 1       3  -11    9 o    11.45000      0.2979000       11.45000 0.2979000                  ?              ?              ?              ?
  1 1 1       3  -11   10 o    2.628000      0.2587000       2.858000 0.3698000       2.397000      0.3619000      0.4612000      0.5174000
  1 1 1       3  -11   11 o    5.969000      0.2037000                  ?       ?   5.969000      0.2037000                  ?              ?
  1 1 1       3  -11   12 o    1.320000      0.3128000      0.9896000 0.4429000       1.649000      0.4419000     -0.6598000      0.6256000
  1 1 1       3  -11   13 o    8.232000      0.1521000       8.115000 0.2219000       8.349000      0.2082000     -0.2339000      0.3042000
  1 1 1       3  -11   14 o    4.554000      0.1645000       4.722000 0.2328000       4.386000      0.2325000      0.3359000      0.3290000
  1 1 1       3  -11   15 o    1.071000      0.3214000       1.076000 0.4514000       1.065000      0.4576000      0.1134000E-01  0.6428000
  1 1 1       3  -11   16 o    5.953000      0.1592000       6.160000 0.2257000       5.745000      0.2247000      0.4153000      0.3184000
  1 1 1       3  -11   17 o    1.770000      0.3723000       1.854000 0.5065000       1.685000      0.5460000      0.1690000      0.7447000
  1 1 1       3  -11   18 o    7.788000      0.1707000       7.849000 0.2398000       7.727000      0.2431000      0.1218000      0.3415000
  1 1 1       3  -11   19 o    4.807000      0.2125000       4.583000 0.3096000       5.031000      0.2912000     -0.4479000      0.4250000
  1 1 1       3  -11   20 o    3.024000      0.3254000       2.820000 0.4714000       3.229000      0.4488000     -0.4094000      0.6508000
  1 1 1       3  -11   21 o    7.017000      0.1898000       6.847000 0.2652000       7.187000      0.2717000     -0.3403000      0.3797000
  1 1 1       3  -11   22 o    11.35000      0.2022000       11.19000 0.2844000       11.51000      0.2873000     -0.3240000      0.4043000
  1 1 1       3  -11   23 o    7.265000      0.2654000       7.613000 0.3284000       6.916000      0.4170000      0.6969000      0.5308000
  1 1 1       3  -11   24 o    3.198000      0.3544000       3.250000 0.4532000       3.147000      0.5449000      0.1035000      0.7087000
  1 1 1       3  -11   25 o    11.86000      0.2147000       12.07000 0.3039000       11.66000      0.3033000      0.4057000      0.4294000
  1 1 1       3  -11   26 o    9.942000      0.2143000       10.02000 0.2978000       9.863000      0.3081000      0.1581000      0.4285000
  1 1 1       3  -11   27 o    7.709000      0.2334000       7.797000 0.3194000       7.621000      0.3404000      0.1756000      0.4668000
  1 1 1       3  -11   28 o    9.955000      0.2294000       9.682000 0.3232000       10.23000      0.3257000     -0.5468000      0.4588000
  1 1 1       3  -11   29 o    1.989000      0.5231000       1.750000 0.6880000       2.228000      0.7881000     -0.4773000       1.046000
  1 1 1       3  -11   30 o    2.406000      0.5409000       2.711000 0.7290000       2.101000      0.7994000      0.6097000       1.082000
  1 1 1       3  -11   31 o    2.308000      0.5641000       2.224000 0.7675000       2.392000      0.8269000     -0.1675000       1.128000
  1 1 1       3  -11   32 o    3.737000      0.7341000       4.716000 1.071000       2.759000       1.005000       1.957000       1.468000
  1 1 1       3  -11   33 o    5.636000      0.6014000       5.372000 0.9925000       5.901000      0.6794000     -0.5289000       1.203000
  1 1 1       3  -11   34 o    2.853000      0.5685000       2.905000 0.7893000       2.800000      0.8184000      0.1052000       1.137000
  1 1 1       3  -11   35 o    3.239000      0.5518000       3.132000 0.7727000       3.347000      0.7878000     -0.2152000       1.104000
  1 1 1       3  -10    0 o    16.96000      0.2994000       16.72000 0.3489000       17.19000      0.4867000     -0.4756000      0.5988000
  1 1 1       3  -10    1 o    20.65000      0.3825000       20.87000 0.6160000       20.42000      0.4536000      0.4492000      0.7650000
  1 1 1       3  -10    2 o    14.47000      0.2695000       14.45000 0.3626000       14.49000      0.3987000     -0.4729000E-01  0.5389000
  1 1 1       3  -10    3 o    13.45000      0.2796000       13.02000 0.3841000       13.89000      0.4065000     -0.8761000      0.5592000
  1 1 1       3  -10    4 o    12.64000      0.3009000       12.44000 0.4239000       12.84000      0.4271000     -0.3959000      0.6018000
  1 1 1       3  -10    5 o    3.321000      0.5477000       3.497000 0.6045000       3.146000      0.9135000      0.3512000       1.095000
  1 1 1       3  -10    6 o    9.505000      0.2261000       9.376000 0.3177000       9.634000      0.3218000     -0.2582000      0.4522000
  1 1 1       3  -10    7 o    5.109000      0.2103000       4.729000 0.2955000       5.489000      0.2992000     -0.7602000      0.4205000
  1 1 1       3  -10    8 o    6.130000      0.1649000       6.223000 0.2452000       6.038000      0.2205000      0.1848000      0.3298000
  1 1 1       3  -10    9 o    7.922000      0.2390000       7.922000 0.2390000                  ?              ?              ?              ?
  1 1 1       3  -10   10 o    12.58000      0.1890000       12.73000 0.2752000       12.44000      0.2593000      0.2930000      0.3781000
  1 1 1       3  -10   11 o    6.546000      0.1937000                  ?       ?   6.546000      0.1937000                  ?              ?
  1 1 1       3  -10   12 o    9.620000      0.1575000       9.655000 0.2271000       9.585000      0.2182000      0.7076000E-01  0.3150000
  1 1 1       3  -10   13 o    4.646000      0.1564000       4.721000 0.2306000       4.570000      0.2114000      0.1514000      0.3128000
  1 1 1       3  -10   14 o    12.66000      0.1904000       12.57000 0.2697000       12.75000      0.2687000     -0.1803000      0.3808000
  1 1 1       3  -10   15 o    1.224000      0.3397000       1.224000 0.4727000       1.225000      0.4879000     -0.1547000E-02  0.6793000
  1 1 1       3  -10   16 o    3.490000      0.2121000       3.456000 0.2966000       3.525000      0.3032000     -0.6896000E-01  0.4241000
  1 1 1       3  -10   17 o    8.457000      0.1656000       8.502000 0.2369000       8.412000      0.2315000      0.8967000E-01  0.3312000
  1 1 1       3  -10   18 o    1.337000      0.3798000       1.474000 0.5528000       1.200000      0.5209000      0.2739000      0.7596000
  1 1 1       3  -10   19 o    5.841000      0.1868000       5.756000 0.2590000       5.926000      0.2691000     -0.1699000      0.3735000
  1 1 1       3  -10   20 o    5.550000      0.2019000       5.968000 0.2611000       5.131000      0.3079000      0.8378000      0.4037000
  1 1 1       3  -10   21 o    15.78000      0.2396000       15.63000 0.3364000       15.92000      0.3413000     -0.2875000      0.4792000
  1 1 1       3  -10   22 f    10.25000      0.1990000       10.35000 0.2810000       10.16000      0.2818000      0.1941000      0.3979000
  1 1 1       3  -10   23 o    8.475000      0.1966000       8.452000 0.2694000       8.498000      0.2864000     -0.4580000E-01  0.3932000
  1 1 1       3  -10   24 o    9.117000      0.2005000       9.369000 0.2814000       8.865000      0.2856000      0.5034000      0.4009000
  1 1 1       3  -10   25 o    2.582000      0.4434000       2.715000 0.5869000       2.449000      0.6648000      0.2656000      0.8868000
  1 1 1       3  -10   26 o    3.003000      0.4203000       3.281000 0.5105000       2.726000      0.6678000      0.5544000      0.8406000
  1 1 1       3  -10   27 o    7.507000      0.2295000       7.632000 0.3094000       7.382000      0.3390000      0.2499000      0.4590000
  1 1 1       3  -10   28 o    7.343000      0.2461000       7.373000 0.3265000       7.313000      0.3682000      0.5952000E-01  0.4921000
  1 1 1       3  -10   29 o    5.791000      0.2890000       5.692000 0.4032000       5.891000      0.4143000     -0.1992000      0.5781000
  1 1 1       3  -10   30 o    7.708000      0.2594000       7.795000 0.3537000       7.620000      0.3796000      0.1749000      0.5188000
  1 1 1       3  -10   31 o    2.505000      0.5514000       2.825000 0.7354000       2.184000      0.8219000      0.6405000       1.103000
  1 1 1       3  -10   32 o    3.290000      0.5412000       3.281000 0.7239000       3.298000      0.8047000     -0.1767000E-01   1.082000
  1 1 1       3  -10   33 o    3.406000      0.7657000       3.136000 1.185000       3.676000      0.9706000     -0.5406000       1.531000
  1 1 1       3  -10   34 o    4.845000      0.6057000       4.787000 0.9055000       4.902000      0.8047000     -0.1144000       1.211000
  1 1 1       3  -10   35 o    2.323000      0.5736000       1.990000 0.7896000       2.655000      0.8322000     -0.6653000       1.147000
  1 1 1       3   -9    0 o    14.11000      0.2947000       13.94000 0.4184000       14.29000      0.4150000     -0.3544000      0.5894000
  1 1 1       3   -9    1 o    12.60000      0.2718000       12.49000 0.3917000       12.71000      0.3770000     -0.2266000      0.5437000
  1 1 1       3   -9    2 o    2.847000      0.5336000       2.384000 0.9143000       3.310000      0.5505000     -0.9260000       1.067000
  1 1 1       3   -9    3 o    11.09000      0.3367000       10.52000 0.5508000       11.66000      0.3873000      -1.139000      0.6734000
  1 1 1       3   -9    4 o    17.03000      0.4667000       17.07000 0.7723000       16.99000      0.5240000      0.7568000E-01  0.9333000
  1 1 1       3   -9    5 o    13.11000       1.068000       13.11000 1.068000                  ?              ?              ?              ?
  1 1 1       3   -9    6 o    13.74000      0.3059000       13.69000 0.3617000       13.80000      0.4935000     -0.1113000      0.6119000
  1 1 1       3   -9    7 o    16.78000      0.3313000       16.58000 0.4588000       16.98000      0.4779000     -0.3958000      0.6625000
  1 1 1       3   -9    8 o    17.64000      0.2551000       17.62000 0.3705000       17.66000      0.3508000     -0.3549000E-01  0.5102000
  1 1 1       3   -9    9 o    11.51000      0.1746000       11.27000 0.2476000       11.74000      0.2462000     -0.4635000      0.3492000
  1 1 1       3   -9   10 o    7.480000      0.2053000       7.811000 0.3041000       7.149000      0.2758000      0.6613000      0.4106000
  1 1 1       3   -9   11 o    7.013000      0.1810000       6.640000 0.2546000       7.387000      0.2573000     -0.7471000      0.3620000
  1 1 1       3   -9   12 o    11.66000      0.2421000       11.59000 0.3407000       11.73000      0.3439000     -0.1372000      0.4841000
  1 1 1       3   -9   13 o    6.320000      0.1823000       6.312000 0.2480000       6.328000      0.2674000     -0.1661000E-01  0.3647000
  1 1 1       3   -9   14 o    7.393000      0.1949000       7.019000 0.2616000       7.768000      0.2890000     -0.7490000      0.3898000
  1 1 1       3   -9   15 o    13.16000      0.2731000       13.03000 0.3795000       13.29000      0.3929000     -0.2580000      0.5463000
  1 1 1       3   -9   16 o    16.12000      0.2337000       16.33000 0.3358000       15.90000      0.3251000      0.4340000      0.4674000
  1 1 1       3   -9   17 o    5.777000      0.1700000       5.642000 0.2422000       5.912000      0.2387000     -0.2699000      0.3401000
  1 1 1       3   -9   18 o    9.878000      0.1793000       9.924000 0.2540000       9.831000      0.2531000      0.9227000E-01  0.3586000
  1 1 1       3   -9   19 o    3.738000      0.2452000       3.719000 0.3360000       3.757000      0.3572000     -0.3856000E-01  0.4904000
  1 1 1       3   -9   20 o    1.895000      0.4092000       1.916000 0.5542000       1.875000      0.6022000      0.4081000E-01  0.8184000
  1 1 1       3   -9   21 o    12.09000      0.2054000       11.70000 0.2883000       12.47000      0.2926000     -0.7701000      0.4108000
  1 1 1       3   -9   22 o    7.232000      0.1955000       6.972000 0.2749000       7.493000      0.2779000     -0.5212000      0.3909000
  1 1 1       3   -9   23 o    12.17000      0.2107000       12.26000 0.2986000       12.08000      0.2974000      0.1747000      0.4214000
  1 1 1       3   -9   24 f    3.587000      0.3237000       3.768000 0.3962000       3.406000      0.5121000      0.3628000      0.6474000
  1 1 1       3   -9   25 o    3.635000      0.3495000       4.072000 0.3912000       3.198000      0.5793000      0.8741000      0.6990000
  1 1 1       3   -9   26 o    4.408000      0.3031000       4.564000 0.3796000       4.253000      0.4728000      0.3104000      0.6063000
  1 1 1       3   -9   27 o    7.635000      0.2250000       7.490000 0.3114000       7.781000      0.3248000     -0.2903000      0.4500000
  1 1 1       3   -9   28 o    8.143000      0.2333000       8.051000 0.3241000       8.236000      0.3355000     -0.1851000      0.4665000
  1 1 1       3   -9   29 o    11.35000      0.2363000       11.29000 0.3315000       11.41000      0.3369000     -0.1252000      0.4726000
  1 1 1       3   -9   30 o    2.210000      0.5301000       1.663000 0.7108000       2.757000      0.7868000      -1.094000       1.060000
  1 1 1       3   -9   31 o    3.466000      0.4912000       3.666000 0.6151000       3.265000      0.7660000      0.4006000      0.9824000
  1 1 1       3   -9   32 o    1.806000      0.5342000       1.681000 0.7197000       1.931000      0.7895000     -0.2500000       1.068000
  1 1 1       3   -9   33 o    2.244000      0.5771000       2.257000 0.8005000       2.231000      0.8314000      0.2575000E-01   1.154000
  1 1 1       3   -9   34 o    2.925000      0.7229000       2.590000 1.054000       3.259000      0.9892000     -0.6689000       1.446000
  1 1 1       3   -9   35 o    2.245000      0.6694000       2.119000 0.9363000       2.371000      0.9569000     -0.2521000       1.339000
  1 1 1       3   -9   36 o    2.940000      0.5542000       2.417000 0.8251000       3.463000      0.7400000      -1.045000       1.108000
  1 1 1       3   -8    0 o    22.35000      0.3104000       22.64000 0.4412000       22.06000      0.4367000      0.5830000      0.6208000
  1 1 1       3   -8    1 o    23.61000      0.3304000       23.55000 0.4595000       23.66000      0.4748000     -0.1137000      0.6607000
  1 1 1       3   -8    2 o    11.35000      0.2267000       11.35000 0.3114000       11.35000      0.3295000     -0.6924000E-03  0.4534000
  1 1 1       3   -8    3 o    33.70000      0.6530000       32.90000 0.9136000       34.51000      0.9333000      -1.616000       1.306000
  1 1 1       3   -8    4 f    11.89000      0.2652000       11.69000 0.3752000       12.09000      0.3749000     -0.4040000      0.5304000
  1 1 1       3   -8    5 f    13.22000      0.3234000       13.15000 0.3942000       13.29000      0.5128000     -0.1321000      0.6468000
  1 1 1       3   -8    6 o    14.45000      0.2952000       14.79000 0.4162000       14.10000      0.4188000      0.6887000      0.5904000
  1 1 1       3   -8    7 o    11.03000      0.2301000       11.02000 0.3211000       11.04000      0.3297000     -0.1788000E-01  0.4602000
  1 1 1       3   -8    8 o    18.33000      0.3548000       18.28000 0.4992000       18.38000      0.5045000     -0.1062000      0.7097000
  1 1 1       3   -8    9 o    11.36000      0.2349000       11.29000 0.3315000       11.44000      0.3330000     -0.1452000      0.4699000
  1 1 1       3   -8   10 o    6.694000      0.1443000       6.488000 0.2318000       6.900000      0.1721000     -0.4121000      0.2887000
  1 1 1       3   -8   11 o    2.295000      0.2235000       2.255000 0.3259000       2.336000      0.3061000     -0.8146000E-01  0.4471000
  1 1 1       3   -8   12 o    11.42000      0.1733000       11.33000 0.2453000       11.51000      0.2449000     -0.1844000      0.3466000
  1 1 1       3   -8   13 o    6.342000      0.1411000       6.411000 0.2022000       6.274000      0.1968000      0.1366000      0.2822000
  1 1 1       3   -8   14 o    5.795000      0.1490000       5.654000 0.2148000       5.936000      0.2064000     -0.2823000      0.2979000
  1 1 1       3   -8   15 o    7.482000      0.1548000       7.569000 0.2198000       7.395000      0.2180000      0.1743000      0.3096000
  1 1 1       3   -8   16 o    5.603000      0.2219000       5.518000 0.2906000       5.687000      0.3354000     -0.1697000      0.4438000
  1 1 1       3   -8   17 o    4.511000      0.2564000       4.679000 0.3072000       4.343000      0.4106000      0.3363000      0.5128000
  1 1 1       3   -8   18 o    14.00000      0.2946000       14.34000 0.4181000       13.65000      0.4151000      0.6929000      0.5892000
  1 1 1       3   -8   19 o    2.121000      0.3867000       2.067000 0.5194000       2.175000      0.5730000     -0.1080000      0.7734000
  1 1 1       3   -8   20 o    8.606000      0.1815000       8.624000 0.2573000       8.587000      0.2561000      0.3711000E-01  0.3630000
  1 1 1       3   -8   21 o    5.688000      0.2003000       5.355000 0.2782000       6.020000      0.2883000     -0.6648000      0.4007000
  1 1 1       3   -8   22 o    13.67000      0.2200000       13.90000 0.3159000       13.43000      0.3062000      0.4726000      0.4399000
  1 1 1       3   -8   23 o    8.733000      0.1947000       8.410000 0.2718000       9.056000      0.2789000     -0.6459000      0.3894000
  1 1 1       3   -8   24 o    12.78000      0.2195000       12.71000 0.3113000       12.84000      0.3095000     -0.1346000      0.4390000
  1 1 1       3   -8   25 o    8.061000      0.2082000       7.961000 0.2887000       8.162000      0.3000000     -0.2005000      0.4163000
  1 1 1       3   -8   26 o    6.204000      0.2421000       6.264000 0.3259000       6.145000      0.3580000      0.1184000      0.4841000
  1 1 1       3   -8   27 o    12.84000      0.2293000       12.77000 0.3219000       12.91000      0.3265000     -0.1375000      0.4585000
  1 1 1       3   -8   28 o    12.50000      0.2345000       12.54000 0.3285000       12.45000      0.3348000      0.8700000E-01  0.4691000
  1 1 1       3   -8   29 o    6.353000      0.2695000       6.379000 0.3674000       6.326000      0.3944000      0.5344000E-01  0.5390000
  1 1 1       3   -8   30 o    3.033000      0.5001000       3.382000 0.6155000       2.684000      0.7883000      0.6972000       1.000000
  1 1 1       3   -8   31 o    3.372000      0.5038000       2.953000 0.7374000       3.790000      0.6868000     -0.8372000       1.008000
  1 1 1       3   -8   32 o    3.432000      0.5126000       2.876000 0.7763000       3.989000      0.6697000      -1.112000       1.025000
  1 1 1       3   -8   33 o    2.857000      0.5293000       3.629000 0.6744000       2.086000      0.8161000       1.543000       1.059000
  1 1 1       3   -8   34 o    1.660000      0.5115000       1.381000 0.6506000       1.939000      0.7895000     -0.5579000       1.023000
  1 1 1       3   -8   35 o    3.244000      0.7197000       3.498000 1.025000       2.989000       1.011000      0.5095000       1.439000
  1 1 1       3   -8   36 o    2.801000      0.5778000       2.592000 0.8152000       3.010000      0.8190000     -0.4183000       1.156000
  1 1 1       3   -7    0 o    18.18000      0.3594000       18.30000 0.5071000       18.06000      0.5096000      0.2366000      0.7189000
  1 1 1       3   -7    1 o    10.26000      0.2797000       10.40000 0.3428000       10.12000      0.4420000      0.2766000      0.5594000
  1 1 1       3   -7    2 o    31.03000      0.6155000       31.74000 0.8641000       30.32000      0.8768000       1.413000       1.231000
  1 1 1       3   -7    3 o    14.18000      0.2514000       13.81000 0.3286000       14.54000      0.3805000     -0.7347000      0.5027000
  1 1 1       3   -7    4 o    4.550000      0.3862000       4.512000 0.5447000       4.589000      0.5476000     -0.7716000E-01  0.7724000
  1 1 1       3   -7    5 o    14.28000      0.2473000       14.49000 0.3663000       14.06000      0.3322000      0.4300000      0.4946000
  1 1 1       3   -7    6 o    13.91000      0.2466000       14.11000 0.3948000       13.71000      0.2955000      0.4012000      0.4932000
  1 1 1       3   -7    7 o    18.77000      0.2649000       19.15000 0.3891000       18.40000      0.3596000      0.7549000      0.5298000
  1 1 1       3   -7    8 o    4.041000      0.1327000       4.253000 0.1973000       3.830000      0.1777000      0.4228000      0.2655000
  1 1 1       3   -7    9 o    2.692000      0.1654000       2.572000 0.2508000       2.812000      0.2157000     -0.2408000      0.3308000
  1 1 1       3   -7   10 o    6.912000      0.1819000       6.912000 0.1819000                  ?              ?              ?              ?
  1 1 1       3   -7   11 o    9.234000      0.1464000       9.297000 0.2094000       9.172000      0.2046000      0.1254000      0.2928000
  1 1 1       3   -7   12 o    9.725000      0.3165000                  ?       ?   9.725000      0.3165000                  ?              ?
  1 1 1       3   -7   14 o    2.503000      0.4047000       2.081000 0.6804000       2.925000      0.4385000     -0.8431000      0.8095000
  1 1 1       3   -7   15 o    6.785000      0.1554000       6.817000 0.2198000       6.753000      0.2198000      0.6371000E-01  0.3109000
  1 1 1       3   -7   16 o    4.562000      0.1826000       4.735000 0.2435000       4.389000      0.2721000      0.3460000      0.3651000
  1 1 1       3   -7   17 o    12.85000      0.1996000       12.80000 0.2821000       12.90000      0.2826000     -0.9919000E-01  0.3993000
  1 1 1       3   -7   18 o    9.297000      0.2350000       9.035000 0.3147000       9.558000      0.3491000     -0.5232000      0.4700000
  1 1 1       3   -7   19 o    10.06000      0.2469000       10.02000 0.3365000       10.11000      0.3614000     -0.8857000E-01  0.4938000
  1 1 1       3   -7   20 o    10.52000      0.2577000       10.09000 0.3431000       10.95000      0.3847000     -0.8540000      0.5155000
  1 1 1       3   -7   21 o    9.045000      0.1865000       8.926000 0.2608000       9.164000      0.2667000     -0.2379000      0.3730000
  1 1 1       3   -7   22 o    14.34000      0.2271000       14.33000 0.3215000       14.34000      0.3208000     -0.8595000E-02  0.4542000
  1 1 1       3   -7   23 o    3.846000      0.2968000       4.014000 0.3863000       3.679000      0.4506000      0.3349000      0.5935000
  1 1 1       3   -7   24 o    9.924000      0.2022000       9.881000 0.2829000       9.967000      0.2890000     -0.8619000E-01  0.4044000
  1 1 1       3   -7   25 f    6.327000      0.2261000       6.332000 0.3159000       6.321000      0.3235000      0.1105000E-01  0.4521000
  1 1 1       3   -7   26 o    2.353000      0.4726000       2.452000 0.6366000       2.253000      0.6986000      0.1988000      0.9452000
  1 1 1       3   -7   27 o    11.96000      0.2250000       11.86000 0.3161000       12.07000      0.3204000     -0.2021000      0.4500000
  1 1 1       3   -7   28 o    9.327000      0.2286000       9.347000 0.3189000       9.307000      0.3277000      0.4022000E-01  0.4572000
  1 1 1       3   -7   29 o    8.223000      0.2402000       8.475000 0.3305000       7.972000      0.3487000      0.5034000      0.4804000
  1 1 1       3   -7   30 o    2.739000      0.4819000       1.783000 0.7126000       3.694000      0.6490000      -1.910000      0.9639000
  1 1 1       3   -7   31 o    6.017000      0.3042000       5.897000 0.4224000       6.137000      0.4379000     -0.2407000      0.6085000
  1 1 1       3   -7   32 o    2.192000      0.5684000       2.438000 0.8143000       1.945000      0.7932000      0.4926000       1.137000
  1 1 1       3   -7   33 o    2.688000      0.5602000       3.224000 0.7648000       2.153000      0.8188000       1.071000       1.120000
  1 1 1       3   -7   34 o    4.132000      0.4554000       4.669000 0.5600000       3.595000      0.7182000       1.074000      0.9108000
  1 1 1       3   -7   35 o    4.145000      0.6522000       5.272000 0.8677000       3.018000      0.9738000       2.255000       1.304000
  1 1 1       3   -7   36 o    2.540000      0.7026000       2.802000 1.051000       2.278000      0.9329000      0.5247000       1.405000
  1 1 1       3   -6    0 o    23.83000      0.3237000       23.56000 0.4524000       24.10000      0.4632000     -0.5389000      0.6475000
  1 1 1       3   -6    1 o    16.86000      0.2895000       16.70000 0.4668000       17.02000      0.3425000     -0.3214000      0.5790000
  1 1 1       3   -6    2 o    9.890000      0.1712000       9.661000 0.2297000       10.12000      0.2540000     -0.4579000      0.3424000
  1 1 1       3   -6    3 o    9.278000      0.1977000       9.058000 0.2707000       9.498000      0.2884000     -0.4404000      0.3955000
  1 1 1       3   -6    4 o    9.491000      0.2339000       9.294000 0.3252000       9.688000      0.3363000     -0.3946000      0.4678000
  1 1 1       3   -6    5 o    5.398000      0.2282000       5.646000 0.2649000       5.150000      0.3717000      0.4962000      0.4565000
  1 1 1       3   -6    6 o    7.214000      0.1817000       7.266000 0.2410000       7.161000      0.2722000      0.1051000      0.3635000
  1 1 1       3   -6    7 o    17.89000      0.2475000       17.90000 0.3529000       17.89000      0.3470000      0.9995000E-02  0.4949000
  1 1 1       3   -6    8 o    11.05000      0.1603000       11.21000 0.2310000       10.90000      0.2222000      0.3044000      0.3205000
  1 1 1       3   -6    9 o    13.52000      0.1896000       13.45000 0.2677000       13.59000      0.2687000     -0.1426000      0.3793000
  1 1 1       3   -6   10 o    18.67000      0.3622000       18.67000 0.3622000                  ?              ?              ?              ?
  1 1 1       3   -6   11 o    2.911000      0.1717000       2.851000 0.2394000       2.970000      0.2462000     -0.1192000      0.3434000
  1 1 1       3   -6   12 o    5.438000      0.1923000                  ?       ?   5.438000      0.1923000                  ?              ?
  1 1 1       3   -6   13 o    2.022000      0.2795000       1.448000 0.4635000       2.596000      0.3125000      -1.148000      0.5590000
  1 1 1       3   -6   14 o    4.922000      0.1601000       4.907000 0.2225000       4.937000      0.2302000     -0.3018000E-01  0.3202000
  1 1 1       3   -6   15 o    8.789000      0.2352000       8.768000 0.3445000       8.810000      0.3202000     -0.4188000E-01  0.4703000
  1 1 1       3   -6   16 o    4.090000      0.3030000       4.539000 0.4310000       3.641000      0.4259000      0.8979000      0.6059000
  1 1 1       3   -6   17 o    5.543000      0.2085000       5.259000 0.2327000       5.828000      0.3460000     -0.5687000      0.4169000
  1 1 1       3   -6   18 o    10.44000      0.2155000       10.81000 0.3483000       10.06000      0.2538000      0.7422000      0.4310000
  1 1 1       3   -6   19 o    8.493000      0.1755000       8.653000 0.2461000       8.332000      0.2502000      0.3202000      0.3509000
  1 1 1       3   -6   20 o    7.473000      0.2481000       7.455000 0.3209000       7.492000      0.3784000     -0.3678000E-01  0.4961000
  1 1 1       3   -6   21 o    18.40000      0.3751000       18.38000 0.5259000       18.42000      0.5351000     -0.4050000E-01  0.7503000
  1 1 1       3   -6   22 o    15.29000      0.2366000       15.33000 0.3352000       15.24000      0.3340000      0.8735000E-01  0.4732000
  1 1 1       3   -6   23 o    3.012000      0.3768000       2.752000 0.5597000       3.271000      0.5046000     -0.5191000      0.7535000
  1 1 1       3   -6   24 o    5.790000      0.2366000       5.771000 0.3289000       5.810000      0.3401000     -0.3888000E-01  0.4731000
  1 1 1       3   -6   25 o    9.984000      0.2057000       9.992000 0.2872000       9.976000      0.2944000      0.1695000E-01  0.4113000
  1 1 1       3   -6   26 o    3.770000      0.3406000       3.870000 0.4443000       3.670000      0.5165000      0.2003000      0.6813000
  1 1 1       3   -6   27 o    2.760000      0.4552000       3.095000 0.5654000       2.426000      0.7137000      0.6685000      0.9105000
  1 1 1       3   -6   28 o    7.540000      0.2384000       8.162000 0.3143000       6.918000      0.3585000       1.244000      0.4767000
  1 1 1       3   -6   29 o    4.651000      0.3418000       5.039000 0.4257000       4.263000      0.5349000      0.7766000      0.6836000
  1 1 1       3   -6   30 o    6.485000      0.2747000       5.969000 0.4010000       7.000000      0.3754000      -1.031000      0.5494000
  1 1 1       3   -6   31 f    6.252000      0.2947000       5.761000 0.4285000       6.744000      0.4048000     -0.9821000      0.5895000
  1 1 1       3   -6   32 o    4.817000      0.3760000       4.890000 0.5072000       4.744000      0.5554000      0.1464000      0.7521000
  1 1 1       3   -6   33 o    4.503000      0.4044000       4.415000 0.5782000       4.591000      0.5655000     -0.1768000      0.8088000
  1 1 1       3   -6   34 o    4.269000      0.4452000       4.227000 0.6148000       4.311000      0.6442000     -0.8372000E-01  0.8904000
  1 1 1       3   -6   35 f    3.382000      0.5420000       3.387000 0.8014000       3.376000      0.7301000      0.1087000E-01   1.084000
  1 1 1       3   -6   36 o    2.371000      0.6102000       1.521000 0.7462000       3.221000      0.9658000      -1.699000       1.220000
  1 1 1       3   -6   37 o    2.083000      0.5313000       2.626000 0.7932000       1.540000      0.7071000       1.086000       1.063000
  1 1 1       3   -5    0 o    10.70000      0.1569000       10.73000 0.2221000       10.67000      0.2218000      0.6596000E-01  0.3139000
  1 1 1       3   -5    1 o    23.43000      0.3182000       23.85000 0.4563000       23.01000      0.4434000      0.8341000      0.6363000
  1 1 1       3   -5    2 o    6.224000      0.1376000       6.255000 0.1882000       6.193000      0.2008000      0.6206000E-01  0.2752000
  1 1 1       3   -5    3 o    10.31000      0.1865000       10.05000 0.2502000       10.57000      0.2767000     -0.5223000      0.3731000
  1 1 1       3   -5    4 o    6.202000      0.2214000       6.186000 0.3141000       6.217000      0.3121000     -0.3120000E-01  0.4428000
  1 1 1       3   -5    5 o    13.66000      0.2663000       14.22000 0.3481000       13.10000      0.4030000       1.110000      0.5325000
  1 1 1       3   -5    6 o    13.54000      0.2415000       13.79000 0.2972000       13.29000      0.3806000      0.4950000      0.4829000
  1 1 1       3   -5    7 o    5.612000      0.1469000       5.351000 0.2535000       5.873000      0.1486000     -0.5217000      0.2938000
  1 1 1       3   -5    8 o    4.330000      0.1032000       4.455000 0.1503000       4.206000      0.1415000      0.2492000      0.2064000
  1 1 1       3   -5    9 o    10.69000      0.1557000       10.68000 0.2203000       10.69000      0.2200000     -0.8231000E-02  0.3113000
  1 1 1       3   -5   10 o    25.53000      0.3449000       25.42000 0.4861000       25.65000      0.4894000     -0.2270000      0.6898000
  1 1 1       3   -5   11 o    13.47000      0.1930000       13.52000 0.2742000       13.43000      0.2717000      0.9097000E-01  0.3860000
  1 1 1       3   -5   12 o    10.95000      0.1652000       11.19000 0.2352000       10.71000      0.2321000      0.4739000      0.3304000
  1 1 1       3   -5   13 o    4.613000      0.1539000       4.774000 0.2080000       4.453000      0.2270000      0.3205000      0.3079000
  1 1 1       3   -5   14 o    7.815000      0.1490000       7.870000 0.2098000       7.759000      0.2115000      0.1104000      0.2979000
  1 1 1       3   -5   15 o    11.98000      0.1852000       11.92000 0.2604000       12.03000      0.2635000     -0.1042000      0.3704000
  1 1 1       3   -5   16 f    15.17000      0.2234000       15.15000 0.3161000       15.19000      0.3157000     -0.4742000E-01  0.4467000
  1 1 1       3   -5   17 o    12.22000      0.2780000       12.65000 0.4062000       11.80000      0.3797000      0.8459000      0.5560000
  1 1 1       3   -5   18 o    5.222000      0.2789000       5.344000 0.4206000       5.099000      0.3664000      0.2458000      0.5578000
  1 1 1       3   -5   19 o    2.549000      0.3454000       2.631000 0.4511000       2.466000      0.5231000      0.1649000      0.6907000
  1 1 1       3   -5   20 o    4.709000      0.2154000       4.714000 0.2943000       4.704000      0.3147000      0.1044000E-01  0.4308000
  1 1 1       3   -5   21 o    9.079000      0.2562000       9.022000 0.3399000       9.135000      0.3833000     -0.1123000      0.5124000
  1 1 1       3   -5   22 o    3.859000      0.3697000       4.062000 0.4504000       3.657000      0.5864000      0.4048000      0.7394000
  1 1 1       3   -5   23 o    14.05000      0.2265000       14.22000 0.3224000       13.88000      0.3183000      0.3411000      0.4530000
  1 1 1       3   -5   24 o    9.653000      0.2025000       9.278000 0.2821000       10.03000      0.2905000     -0.7502000      0.4050000
  1 1 1       3   -5   25 o    9.217000      0.2056000       9.048000 0.2903000       9.386000      0.2912000     -0.3371000      0.4112000
  1 1 1       3   -5   26 o    8.142000      0.2139000       8.250000 0.2953000       8.034000      0.3095000      0.2160000      0.4278000
  1 1 1       3   -5   27 o    7.321000      0.2289000       7.100000 0.3229000       7.541000      0.3244000     -0.4408000      0.4577000
  1 1 1       3   -5   28 o    7.947000      0.2309000       7.657000 0.3187000       8.237000      0.3341000     -0.5801000      0.4617000
  1 1 1       3   -5   29 o    4.175000      0.3830000       4.943000 0.4207000       3.408000      0.6402000       1.535000      0.7660000
  1 1 1       3   -5   30 o    5.280000      0.3183000       5.537000 0.4236000       5.023000      0.4752000      0.5141000      0.6366000
  1 1 1       3   -5   31 o    6.031000      0.3071000       6.394000 0.4067000       5.668000      0.4602000      0.7268000      0.6142000
  1 1 1       3   -5   32 o    6.321000      0.3065000       6.517000 0.4144000       6.126000      0.4517000      0.3903000      0.6130000
  1 1 1       3   -5   33 o    2.054000      0.5651000       2.143000 0.8041000       1.966000      0.7942000      0.1771000       1.130000
  1 1 1       3   -5   34 o    3.412000      0.5371000       3.361000 0.7690000       3.462000      0.7499000     -0.1011000       1.074000
  1 1 1       3   -5   35 o    2.320000      0.5716000       1.999000 0.8146000       2.642000      0.8022000     -0.6436000       1.143000
  1 1 1       3   -5   36 o    3.356000      0.6654000       2.527000 1.033000       4.186000      0.8388000      -1.659000       1.331000
  1 1 1       3   -5   37 o    2.300000      0.6664000       2.549000 1.000000       2.052000      0.8811000      0.4968000       1.333000
  1 1 1       3   -4    0 o    15.82000      0.2181000       15.77000 0.3074000       15.88000      0.3096000     -0.1053000      0.4363000
  1 1 1       3   -4    1 o    18.17000      0.2480000       18.03000 0.3476000       18.31000      0.3538000     -0.2766000      0.4960000
  1 1 1       3   -4    2 o    19.39000      0.3241000       19.21000 0.5238000       19.57000      0.3819000     -0.3609000      0.6482000
  1 1 1       3   -4    3 f    5.340000      0.1598000       5.093000 0.2299000       5.587000      0.2220000     -0.4947000      0.3196000
  1 1 1       3   -4    4 o    16.25000      0.2492000       15.95000 0.3418000       16.55000      0.3628000     -0.6030000      0.4984000
  1 1 1       3   -4    5 o    10.72000      0.1846000       10.91000 0.2809000       10.53000      0.2395000      0.3828000      0.3692000
  1 1 1       3   -4    6 o    14.50000      0.2025000       14.80000 0.2957000       14.20000      0.2766000      0.5969000      0.4049000
  1 1 1       3   -4    7 o    20.90000      0.2824000       20.63000 0.3953000       21.17000      0.4035000     -0.5362000      0.5649000
  1 1 1       3   -4    8 o    16.13000      0.2205000       16.07000 0.3108000       16.19000      0.3129000     -0.1284000      0.4410000
  1 1 1       3   -4    9 o    8.404000      0.1311000       8.475000 0.1869000       8.333000      0.1840000      0.1422000      0.2623000
  1 1 1       3   -4   10 o    15.45000      0.2151000       15.28000 0.3012000       15.63000      0.3072000     -0.3499000      0.4303000
  1 1 1       3   -4   11 o    20.58000      0.2819000       20.75000 0.4014000       20.42000      0.3958000      0.3347000      0.5637000
  1 1 1       3   -4   12 o    16.27000      0.2289000       16.37000 0.3263000       16.17000      0.3211000      0.1948000      0.4577000
  1 1 1       3   -4   13 o    25.64000      0.3490000       25.76000 0.4955000       25.52000      0.4915000      0.2399000      0.6979000
  1 1 1       3   -4   14 o    4.498000      0.1623000       4.630000 0.2241000       4.367000      0.2348000      0.2637000      0.3246000
  1 1 1       3   -4   15 o    6.789000      0.1500000       6.608000 0.2082000       6.971000      0.2161000     -0.3633000      0.3000000
  1 1 1       3   -4   16 o    4.421000      0.1835000       4.640000 0.2408000       4.203000      0.2770000      0.4364000      0.3670000
  1 1 1       3   -4   17 o    4.203000      0.1992000       4.130000 0.2806000       4.275000      0.2829000     -0.1452000      0.3984000
  1 1 1       3   -4   18 o    11.91000      0.2755000       11.70000 0.3940000       12.12000      0.3850000     -0.4159000      0.5509000
  1 1 1       3   -4   19 o    4.972000      0.2993000       4.599000 0.4648000       5.344000      0.3772000     -0.7446000      0.5986000
  1 1 1       3   -4   20 o    1.435000      0.4034000       1.345000 0.5518000       1.526000      0.5887000     -0.1807000      0.8068000
  1 1 1       3   -4   21 o    6.742000      0.1928000       6.664000 0.2730000       6.820000      0.2723000     -0.1561000      0.3856000
  1 1 1       3   -4   23 o    9.451000      0.2735000       10.02000 0.3749000       8.879000      0.3985000       1.144000      0.5471000
  1 1 1       3   -4   24 o    9.248000      0.2021000       9.417000 0.2834000       9.079000      0.2882000      0.3372000      0.4042000
  1 1 1       3   -4   25 o    4.714000      0.2679000       4.631000 0.3780000       4.797000      0.3798000     -0.1657000      0.5358000
  1 1 1       3   -4   26 o    11.86000      0.2187000       12.00000 0.3096000       11.73000      0.3090000      0.2643000      0.4375000
  1 1 1       3   -4   27 o    8.389000      0.2182000       8.136000 0.3023000       8.641000      0.3147000     -0.5043000      0.4364000
  1 1 1       3   -4   28 o    4.759000      0.3015000       4.721000 0.4232000       4.797000      0.4295000     -0.7596000E-01  0.6030000
  1 1 1       3   -4   29 o    3.917000      0.3824000       4.303000 0.4607000       3.531000      0.6104000      0.7720000      0.7648000
  1 1 1       3   -4   30 o    7.766000      0.2485000       7.941000 0.3442000       7.591000      0.3586000      0.3499000      0.4970000
  1 1 1       3   -4   31 o    4.532000      0.3702000       4.528000 0.5137000       4.535000      0.5333000     -0.6751000E-02  0.7405000
  1 1 1       3   -4   32 o    6.189000      0.3083000       5.649000 0.4534000       6.730000      0.4178000      -1.081000      0.6165000
  1 1 1       3   -4   33 o    6.086000      0.3153000       6.113000 0.4367000       6.059000      0.4549000      0.5369000E-01  0.6306000
  1 1 1       3   -4   34 o    7.127000      0.2888000       7.214000 0.4068000       7.040000      0.4101000      0.1732000      0.5776000
  1 1 1       3   -4   35 o    4.469000      0.4023000       4.326000 0.5969000       4.612000      0.5394000     -0.2857000      0.8045000
  1 1 1       3   -4   36 o    4.652000      0.5668000       4.239000 0.9098000       5.066000      0.6764000     -0.8273000       1.134000
  1 1 1       3   -4   37 f    2.535000      0.6711000       2.936000 1.009000       2.134000      0.8847000      0.8024000       1.342000
  1 1 1       3   -3    0 o    8.819000      0.1323000       8.874000 0.1877000       8.763000      0.1865000      0.1110000      0.2646000
  1 1 1       3   -3    1 o    31.89000      0.4273000       32.15000 0.6090000       31.64000      0.5995000      0.5105000      0.8546000
  1 1 1       3   -3    2 o    18.88000      0.2558000       18.85000 0.3609000       18.91000      0.3627000     -0.5937000E-01  0.5116000
  1 1 1       3   -3    3 o    3.984000      0.1305000       4.025000 0.1753000       3.943000      0.1935000      0.8203000E-01  0.2611000
  1 1 1       3   -3    4 o    2.550000      0.3034000       2.386000 0.4383000       2.713000      0.4198000     -0.3264000      0.6069000
  1 1 1       3   -3    5 o    15.68000      0.2644000       16.06000 0.4350000       15.29000      0.3005000      0.7659000      0.5287000
  1 1 1       3   -3    6 o    9.076000      0.1302000       9.165000 0.1875000       8.987000      0.1808000      0.1774000      0.2604000
  1 1 1       3   -3    7 f    8.341000      0.1221000       8.374000 0.1738000       8.307000      0.1715000      0.6732000E-01  0.2442000
  1 1 1       3   -3    8 o    9.000000      0.1326000       9.026000 0.1881000       8.975000      0.1871000      0.5092000E-01  0.2653000
  1 1 1       3   -3    9 o    7.453000      0.1524000       7.200000 0.2491000       7.705000      0.1757000     -0.5055000      0.3049000
  1 1 1       3   -3   10 o    17.72000      0.2435000       17.79000 0.3458000       17.65000      0.3430000      0.1382000      0.4871000
  1 1 1       3   -3   11 o    10.33000      0.1927000       10.09000 0.2172000       10.56000      0.3184000     -0.4766000      0.3854000
  1 1 1       3   -3   12 f    18.76000      0.2596000       18.78000 0.3679000       18.73000      0.3663000      0.4448000E-01  0.5192000
  1 1 1       3   -3   13 o    18.18000      0.2529000       18.09000 0.3557000       18.27000      0.3595000     -0.1810000      0.5058000
  1 1 1       3   -3   14 o    5.884000      0.1437000       5.785000 0.2036000       5.982000      0.2029000     -0.1978000      0.2875000
  1 1 1       3   -3   15 o    7.173000      0.1782000       7.487000 0.2836000       6.858000      0.2160000      0.6290000      0.3565000
  1 1 1       3   -3   16 o    3.968000      0.1909000       4.186000 0.2533000       3.749000      0.2856000      0.4370000      0.3817000
  1 1 1       3   -3   17 o    7.586000      0.1624000       7.686000 0.2257000       7.486000      0.2335000      0.1997000      0.3248000
  1 1 1       3   -3   18 o    11.73000      0.1911000       11.87000 0.2714000       11.59000      0.2691000      0.2753000      0.3822000
  1 1 1       3   -3   19 o    5.838000      0.2591000       5.679000 0.3883000       5.998000      0.3431000     -0.3189000      0.5182000
  1 1 1       3   -3   20 o    7.587000      0.2538000       7.345000 0.3720000       7.828000      0.3453000     -0.4830000      0.5076000
  1 1 1       3   -3   21 o    8.001000      0.1827000       7.887000 0.2581000       8.116000      0.2586000     -0.2293000      0.3653000
  1 1 1       3   -3   22 o    16.30000      0.3453000       16.44000 0.4859000       16.16000      0.4907000      0.2824000      0.6906000
  1 1 1       3   -3   23 o    8.929000      0.2699000       8.866000 0.3641000       8.992000      0.3985000     -0.1256000      0.5398000
  1 1 1       3   -3   24 o    1.982000      0.4700000       2.029000 0.6449000       1.934000      0.6840000      0.9459000E-01  0.9400000
  1 1 1       3   -3   25 o    8.277000      0.2096000       8.188000 0.2918000       8.367000      0.3009000     -0.1787000      0.4191000
  1 1 1       3   -3   26 f    11.92000      0.2179000       11.81000 0.3035000       12.03000      0.3127000     -0.2196000      0.4358000
  1 1 1       3   -3   27 o    3.914000      0.3550000       3.210000 0.5630000       4.619000      0.4326000      -1.409000      0.7100000
  1 1 1       3   -3   28 o    6.674000      0.2442000       6.800000 0.3367000       6.548000      0.3537000      0.2517000      0.4884000
  1 1 1       3   -3   29 o    3.261000      0.4384000       3.169000 0.6225000       3.353000      0.6174000     -0.1841000      0.8767000
  1 1 1       3   -3   30 o    2.838000      0.4993000       2.946000 0.6726000       2.731000      0.7380000      0.2147000      0.9985000
  1 1 1       3   -3   31 o    6.413000      0.2790000       6.357000 0.3896000       6.470000      0.3995000     -0.1131000      0.5580000
  1 1 1       3   -3   32 o    2.342000      0.5558000       2.557000 0.7750000       2.126000      0.7968000      0.4305000       1.112000
  1 1 1       3   -3   33 f    1.977000      0.5468000       1.903000 0.7648000       2.052000      0.7816000     -0.1496000       1.094000
  1 1 1       3   -3   34 o    2.202000      0.5152000       3.023000 0.7967000       1.381000      0.6534000       1.641000       1.030000
  1 1 1       3   -3   35 o    7.080000      0.2826000       6.888000 0.4057000       7.273000      0.3934000     -0.3857000      0.5651000
  1 1 1       3   -3   36 o    3.524000      0.6305000       2.794000 1.019000       4.255000      0.7427000      -1.460000       1.261000
  1 1 1       3   -3   37 f    1.970000      0.6044000       2.306000 0.9383000       1.634000      0.7620000      0.6716000       1.209000
  1 1 1       3   -2    0 o    10.33000      0.2108000       10.30000 0.2972000       10.36000      0.2989000     -0.5803000E-01  0.4215000
  1 1 1       3   -2    1 o    15.83000      0.2158000       15.74000 0.3034000       15.92000      0.3069000     -0.1803000      0.4315000
  1 1 1       3   -2    2 o    19.79000      0.2665000       19.70000 0.3750000       19.88000      0.3788000     -0.1788000      0.5331000
  1 1 1       3   -2    3 o    21.40000      0.3520000       20.99000 0.5654000       21.82000      0.4195000     -0.8327000      0.7040000
  1 1 1       3   -2    4 o    14.95000      0.2203000       14.46000 0.2964000       15.43000      0.3259000     -0.9669000      0.4406000
  1 1 1       3   -2    5 o    14.29000      0.2838000       14.09000 0.4076000       14.50000      0.3951000     -0.4166000      0.5676000
  1 1 1       3   -2    6 o    10.03000      0.1391000       10.11000 0.1985000       9.958000      0.1949000      0.1472000      0.2782000
  1 1 1       3   -2    7 o    17.16000      0.2324000       17.15000 0.3285000       17.18000      0.3287000     -0.2821000E-01  0.4647000
  1 1 1       3   -2    8 o    9.437000      0.1376000       9.491000 0.1949000       9.383000      0.1942000      0.1082000      0.2751000
  1 1 1       3   -2    9 o    11.01000      0.1586000       10.79000 0.2210000       11.23000      0.2276000     -0.4460000      0.3172000
  1 1 1       3   -2   10 o    5.034000      0.1161000       5.021000 0.1585000       5.046000      0.1696000     -0.2522000E-01  0.2321000
  1 1 1       3   -2   11 o    10.15000      0.2172000       10.15000 0.2172000                  ?              ?              ?              ?
  1 1 1       3   -2   12 o    10.60000      0.1613000       10.54000 0.2266000       10.67000      0.2296000     -0.1360000      0.3226000
  1 1 1       3   -2   13 o    8.329000      0.2074000                  ?       ?   8.329000      0.2074000                  ?              ?
  1 1 1       3   -2   14 o    5.054000      0.1438000       5.056000 0.2016000       5.051000      0.2051000      0.5705000E-02  0.2876000
  1 1 1       3   -2   15 o    11.27000      0.1764000       11.32000 0.2503000       11.22000      0.2486000      0.9708000E-01  0.3528000
  1 1 1       3   -2   16 o    10.83000      0.1739000       10.60000 0.2418000       11.06000      0.2499000     -0.4556000      0.3478000
  1 1 1       3   -2   17 o    8.028000      0.1611000       8.053000 0.2250000       8.002000      0.2307000      0.5158000E-01  0.3223000
  1 1 1       3   -2   18 o    7.751000      0.1657000       7.857000 0.2323000       7.644000      0.2364000      0.2131000      0.3315000
  1 1 1       3   -2   19 o    4.404000      0.3017000       4.345000 0.4573000       4.463000      0.3935000     -0.1174000      0.6033000
  1 1 1       3   -2   20 o    8.312000      0.2527000       8.449000 0.3682000       8.174000      0.3461000      0.2746000      0.5054000
  1 1 1       3   -2   21 o    5.726000      0.1958000       5.758000 0.2781000       5.693000      0.2758000      0.6519000E-01  0.3916000
  1 1 1       3   -2   22 o    3.616000      0.2882000       3.811000 0.3819000       3.422000      0.4317000      0.3888000      0.5764000
  1 1 1       3   -2   23 o    3.644000      0.4269000       3.851000 0.5212000       3.437000      0.6762000      0.4134000      0.8537000
  1 1 1       3   -2   24 o    3.530000      0.3486000       3.934000 0.4286000       3.126000      0.5498000      0.8085000      0.6971000
  1 1 1       3   -2   25 o    10.28000      0.2055000       10.03000 0.2892000       10.52000      0.2920000     -0.4961000      0.4110000
  1 1 1       3   -2   26 o    11.01000      0.2119000       11.01000 0.2976000       11.01000      0.3016000      0.4283000E-02  0.4237000
  1 1 1       3   -2   27 o    5.648000      0.2482000       5.652000 0.3408000       5.643000      0.3610000      0.8876000E-02  0.4965000
  1 1 1       3   -2   28 o    2.931000      0.4506000       3.133000 0.5874000       2.729000      0.6835000      0.4038000      0.9012000
  1 1 1       3   -2   29 o    9.343000      0.2245000       9.349000 0.3160000       9.336000      0.3189000      0.1386000E-01  0.4489000
  1 1 1       3   -2   30 o    3.033000      0.4767000       2.876000 0.6723000       3.190000      0.6760000     -0.3140000      0.9534000
  1 1 1       3   -2   31 o    5.584000      0.2968000       5.353000 0.4248000       5.815000      0.4145000     -0.4621000      0.5935000
  1 1 1       3   -2   32 o    5.324000      0.3391000       5.142000 0.4795000       5.506000      0.4796000     -0.3636000      0.6782000
  1 1 1       3   -2   33 o    6.677000      0.2895000       6.741000 0.3988000       6.613000      0.4198000      0.1283000      0.5791000
  1 1 1       3   -2   34 o    7.398000      0.2855000       7.480000 0.4002000       7.316000      0.4072000      0.1637000      0.5709000
  1 1 1       3   -2   35 f    5.468000      0.3430000       5.700000 0.4777000       5.236000      0.4924000      0.4638000      0.6860000
  1 1 1       3   -2   36 o    3.009000      0.6519000       3.470000 0.9271000       2.548000      0.9168000      0.9228000       1.304000
  1 1 1       3   -2   37 o    2.494000      0.6720000       2.805000 1.011000       2.182000      0.8856000      0.6231000       1.344000
  1 1 1       3   -1    0 o    7.054000      0.1105000       7.148000 0.1579000       6.961000      0.1548000      0.1874000      0.2211000
  1 1 1       3   -1    1 o    15.59000      0.2128000       15.49000 0.2984000       15.69000      0.3035000     -0.1974000      0.4256000
  1 1 1       3   -1    2 o    6.676000      0.1238000       6.920000 0.2060000       6.431000      0.1373000      0.4889000      0.2476000
  1 1 1       3   -1    3 o    16.40000      0.2715000       16.55000 0.4456000       16.26000      0.3102000      0.2967000      0.5430000
  1 1 1       3   -1    4 o    9.506000      0.1759000       9.387000 0.2703000       9.626000      0.2251000     -0.2387000      0.3518000
  1 1 1       3   -1    5 o    11.57000      0.2216000       11.44000 0.3100000       11.71000      0.3168000     -0.2720000      0.4433000
  1 1 1       3   -1    6 o    26.74000      0.4369000       26.41000 0.7078000       27.07000      0.5124000     -0.6590000      0.8738000
  1 1 1       3   -1    7 o    21.18000      0.3475000       20.76000 0.5599000       21.61000      0.4116000     -0.8526000      0.6949000
  1 1 1       3   -1    8 o    13.50000      0.2289000       13.54000 0.3749000       13.46000      0.2629000      0.7767000E-01  0.4579000
  1 1 1       3   -1    9 f    12.19000      0.1714000       12.28000 0.2441000       12.11000      0.2407000      0.1699000      0.3428000
  1 1 1       3   -1   10 o    19.53000      0.2660000       19.39000 0.3734000       19.67000      0.3790000     -0.2880000      0.5320000
  1 1 1       3   -1   11 o    16.12000      0.3167000       16.12000 0.3167000                  ?              ?              ?              ?
  1 1 1       3   -1   12 o    25.87000      0.3507000       26.27000 0.5032000       25.47000      0.4886000      0.7998000      0.7014000
  1 1 1       3   -1   13 o    10.48000      0.2297000                  ?       ?   10.48000      0.2297000                  ?              ?
  1 1 1       3   -1   14 o    12.26000      0.1827000       12.35000 0.2602000       12.17000      0.2566000      0.1847000      0.3654000
  1 1 1       3   -1   15 o    10.50000      0.1676000       10.63000 0.2377000       10.38000      0.2365000      0.2499000      0.3353000
  1 1 1       3   -1   16 o    5.987000      0.1517000       5.781000 0.2114000       6.193000      0.2175000     -0.4116000      0.3033000
  1 1 1       3   -1   17 o    2.924000      0.2529000       2.913000 0.3403000       2.936000      0.3741000     -0.2350000E-01  0.5057000
  1 1 1       3   -1   18 o    8.171000      0.1637000       8.181000 0.2290000       8.161000      0.2341000      0.1908000E-01  0.3275000
  1 1 1       3   -1   19 o    3.053000      0.2774000       3.443000 0.3438000       2.663000      0.4353000      0.7792000      0.5547000
  1 1 1       3   -1   20 o    4.918000      0.2738000       4.882000 0.4029000       4.953000      0.3709000     -0.7064000E-01  0.5476000
  1 1 1       3   -1   21 o    3.113000      0.2976000       2.760000 0.4606000       3.466000      0.3769000     -0.7057000      0.5952000
  1 1 1       3   -1   22 o    10.02000      0.1910000       10.38000 0.2724000       9.658000      0.2677000      0.7235000      0.3820000
  1 1 1       3   -1   23 o    4.313000      0.3775000       4.750000 0.4644000       3.876000      0.5952000      0.8746000      0.7549000
  1 1 1       3   -1   24 o    4.143000      0.2773000       3.798000 0.4174000       4.488000      0.3651000     -0.6897000      0.5545000
  1 1 1       3   -1   25 f    7.387000      0.2067000       7.490000 0.2917000       7.284000      0.2930000      0.2062000      0.4134000
  1 1 1       3   -1   26 o    6.815000      0.2166000       6.694000 0.3043000       6.936000      0.3082000     -0.2420000      0.4331000
  1 1 1       3   -1   27 o    1.365000      0.4247000       1.484000 0.6293000       1.246000      0.5704000      0.2381000      0.8494000
  1 1 1       3   -1   28 o    7.990000      0.2185000       8.340000 0.3022000       7.641000      0.3156000      0.6988000      0.4369000
  1 1 1       3   -1   29 o    8.305000      0.2285000       8.770000 0.3145000       7.841000      0.3316000      0.9296000      0.4570000
  1 1 1       3   -1   30 o    1.879000      0.4583000       2.530000 0.7115000       1.228000      0.5779000       1.302000      0.9166000
  1 1 1       3   -1   31 o    5.524000      0.2957000       5.668000 0.4097000       5.380000      0.4266000      0.2873000      0.5915000
  1 1 1       3   -1   32 o    6.471000      0.2836000       6.692000 0.3745000       6.251000      0.4258000      0.4402000      0.5671000
  1 1 1       3   -1   33 o    3.558000      0.4713000       3.437000 0.6788000       3.680000      0.6539000     -0.2428000      0.9426000
  1 1 1       3   -1   34 o    3.473000      0.4963000       2.912000 0.8005000       4.034000      0.5869000      -1.123000      0.9926000
  1 1 1       3   -1   35 o    4.874000      0.3698000       4.877000 0.5319000       4.872000      0.5139000      0.5079000E-02  0.7396000
  1 1 1       3   -1   36 o    2.241000      0.6350000       2.123000 0.9147000       2.359000      0.8811000     -0.2354000       1.270000
  1 1 1       3   -1   37 o    1.613000      0.5291000       1.849000 0.8224000       1.377000      0.6660000      0.4713000       1.058000
  1 1 1       3   -1   38 o    2.115000      0.5592000       2.143000 0.8017000       2.086000      0.7797000      0.5779000E-01   1.118000
  1 1 1       3    0    0 o    17.18000      0.2831000       16.63000 0.4526000       17.73000      0.3402000      -1.098000      0.5662000
  1 1 1       3    0    1 o    5.506000      0.1081000       5.625000 0.1791000       5.388000      0.1210000      0.2367000      0.2161000
  1 1 1       3    0    2 o    11.16000      0.2167000       10.99000 0.3029000       11.33000      0.3098000     -0.3448000      0.4333000
  1 1 1       3    0    3 o    26.25000      0.7022000                  ?       ?   26.25000      0.7022000                  ?              ?
  1 1 1       3    0    4 o    15.28000      0.4095000                  ?       ?   15.28000      0.4095000                  ?              ?
  1 1 1       3    0    5 o    23.85000      0.6384000                  ?       ?   23.85000      0.6384000                  ?              ?
  1 1 1       3    0    6 o    33.56000      0.8979000                  ?       ?   33.56000      0.8979000                  ?              ?
  1 1 1       3    0    7 o    9.908000      0.1691000       9.809000 0.2746000       10.01000      0.1975000     -0.1978000      0.3383000
  1 1 1       3    0    8 o    7.172000      0.1350000       7.180000 0.2209000       7.165000      0.1551000      0.1538000E-01  0.2700000
  1 1 1       3    0    9 o    7.887000      0.1206000       7.854000 0.1695000       7.921000      0.1717000     -0.6773000E-01  0.2413000
  1 1 1       3    0   10 o    18.25000      0.2493000       18.17000 0.3510000       18.32000      0.3541000     -0.1492000      0.4986000
  1 1 1       3    0   11 o    14.32000      0.2012000       14.39000 0.2852000       14.25000      0.2840000      0.1385000      0.4025000
  1 1 1       3    0   12 o    27.98000      0.3782000       28.12000 0.5370000       27.84000      0.5327000      0.2755000      0.7564000
  1 1 1       3    0   13 o    2.360000      0.2565000       2.341000 0.4179000       2.380000      0.2975000     -0.3856000E-01  0.5130000
  1 1 1       3    0   14 o    15.01000      0.2142000       15.10000 0.3045000       14.91000      0.3013000      0.1971000      0.4284000
  1 1 1       3    0   15 f    3.681000      0.1758000       3.802000 0.2391000       3.560000      0.2579000      0.2418000      0.3517000
  1 1 1       3    0   16 o    5.739000      0.1506000       5.738000 0.2105000       5.741000      0.2156000     -0.2204000E-02  0.3013000
  1 1 1       3    0   17 o    2.187000      0.3121000       2.349000 0.4077000       2.025000      0.4725000      0.3242000      0.6241000
  1 1 1       3    0   18 o    1.466000      0.3263000       1.984000 0.4862000      0.9472000      0.4353000       1.037000      0.6526000
  1 1 1       3    0   19 o    4.262000      0.2264000       3.935000 0.2639000       4.589000      0.3679000     -0.6535000      0.4528000
  1 1 1       3    0   20 f    1.937000      0.4595000       2.094000 0.6549000       1.780000      0.6447000      0.3140000      0.9190000
  1 1 1       3    0   21 o    4.748000      0.2095000       4.877000 0.2916000       4.618000      0.3008000      0.2598000      0.4190000
  1 1 1       3    0   22 o    6.834000      0.1820000       6.934000 0.2529000       6.733000      0.2617000      0.2010000      0.3640000
  1 1 1       3    0   23 o    5.547000      0.3100000       5.752000 0.4094000       5.343000      0.4656000      0.4091000      0.6200000
  1 1 1       3    0   24 o    6.467000      0.2082000       6.486000 0.2980000       6.447000      0.2909000      0.3926000E-01  0.4164000
  1 1 1       3    0   25 o    8.263000      0.1995000       8.254000 0.2828000       8.272000      0.2814000     -0.1822000E-01  0.3990000
  1 1 1       3    0   26 o    8.175000      0.2057000       8.249000 0.2884000       8.101000      0.2935000      0.1480000      0.4115000
  1 1 1       3    0   27 o    7.062000      0.2153000       7.400000 0.2996000       6.724000      0.3094000      0.6756000      0.4307000
  1 1 1       3    0   28 o    8.227000      0.2155000       8.352000 0.3054000       8.101000      0.3040000      0.2505000      0.4309000
  1 1 1       3    0   29 o    4.749000      0.3015000       4.631000 0.4388000       4.866000      0.4135000     -0.2356000      0.6029000
  1 1 1       3    0   30 o    2.746000      0.4968000       2.911000 0.6815000       2.581000      0.7230000      0.3300000      0.9936000
  1 1 1       3    0   31 o    4.399000      0.3604000       4.199000 0.5385000       4.599000      0.4792000     -0.3999000      0.7209000
  1 1 1       3    0   32 o    10.98000      0.2387000       11.37000 0.3334000       10.59000      0.3417000      0.7802000      0.4773000
  1 1 1       3    0   33 o    5.676000      0.3194000       5.874000 0.4397000       5.478000      0.4636000      0.3961000      0.6389000
  1 1 1       3    0   34 o    5.381000      0.3396000       5.477000 0.4608000       5.285000      0.4991000      0.1921000      0.6793000
  1 1 1       3    0   35 o    6.387000      0.3033000       6.272000 0.4322000       6.503000      0.4255000     -0.2309000      0.6065000
  1 1 1       3    0   36 o    3.225000      0.6619000       3.146000 0.9710000       3.303000      0.8999000     -0.1569000       1.324000
  1 1 1       3    0   37 o    2.192000      0.5911000       2.284000 0.9147000       2.099000      0.7490000      0.1847000       1.182000
  1 1 1       3    0   38 o    2.204000      0.5339000       2.719000 0.7865000       1.689000      0.7222000       1.030000       1.068000
  1 1 1       3    1    0 o    18.41000      0.3058000       18.51000 0.5014000       18.30000      0.3502000      0.2109000      0.6116000
  1 1 1       3    1    1 o    35.57000      0.5807000       35.24000 0.9430000       35.89000      0.6779000     -0.6510000       1.161000
  1 1 1       3    1    2 o    24.89000      0.6664000                  ?       ?   24.89000      0.6664000                  ?              ?
  1 1 1       3    1    3 o    29.31000      0.7836000                  ?       ?   29.31000      0.7836000                  ?              ?
  1 1 1       3    1    5 o    8.967000      0.2450000                  ?       ?   8.967000      0.2450000                  ?              ?
  1 1 1       3    1    6 o    27.22000      0.7293000                  ?       ?   27.22000      0.7293000                  ?              ?
  1 1 1       3    1    7 o    23.23000      0.3833000       23.47000 0.6302000       22.99000      0.4364000      0.4761000      0.7665000
  1 1 1       3    1    8 o    2.157000      0.1337000       2.271000 0.2084000       2.042000      0.1676000      0.2297000      0.2674000
  1 1 1       3    1    9 o    10.08000      0.1447000       10.01000 0.2038000       10.14000      0.2055000     -0.1264000      0.2894000
  1 1 1       3    1   10 o    9.593000      0.1425000       9.730000 0.2031000       9.456000      0.1998000      0.2745000      0.2849000
  1 1 1       3    1   11 o    15.14000      0.2111000       15.31000 0.3012000       14.98000      0.2959000      0.3284000      0.4222000
  1 1 1       3    1   12 o    18.12000      0.2507000       18.12000 0.3540000       18.13000      0.3550000     -0.6598000E-02  0.5014000
  1 1 1       3    1   13 o    12.23000      0.1802000       12.31000 0.2554000       12.15000      0.2544000      0.1614000      0.3605000
  1 1 1       3    1   14 o    18.10000      0.2531000       18.53000 0.3646000       17.67000      0.3511000      0.8577000      0.5061000
  1 1 1       3    1   15 o    6.163000      0.1401000       6.240000 0.1986000       6.086000      0.1977000      0.1541000      0.2802000
  1 1 1       3    1   16 o    6.980000      0.1747000       6.847000 0.2079000       7.113000      0.2809000     -0.2661000      0.3495000
  1 1 1       3    1   17 o    13.07000      0.1981000       13.21000 0.2818000       12.93000      0.2784000      0.2802000      0.3962000
  1 1 1       3    1   18 o    4.136000      0.1911000       4.291000 0.2563000       3.982000      0.2835000      0.3090000      0.3822000
  1 1 1       3    1   19 o    5.141000      0.2468000       4.897000 0.3788000       5.386000      0.3164000     -0.4895000      0.4936000
  1 1 1       3    1   20 o    6.625000      0.2325000       7.064000 0.3341000       6.187000      0.3233000      0.8772000      0.4649000
  1 1 1       3    1   21 o    5.021000      0.2038000       4.962000 0.2882000       5.080000      0.2883000     -0.1176000      0.4077000
  1 1 1       3    1   22 o    6.618000      0.2727000       6.478000 0.3773000       6.758000      0.3938000     -0.2793000      0.5453000
  1 1 1       3    1   23 o    11.79000      0.2908000       12.08000 0.4109000       11.49000      0.4117000      0.5939000      0.5817000
  1 1 1       3    1   24 o    9.158000      0.1942000       9.082000 0.2778000       9.233000      0.2715000     -0.1512000      0.3885000
  1 1 1       3    1   25 o    6.846000      0.2042000       7.037000 0.2863000       6.655000      0.2913000      0.3818000      0.4084000
  1 1 1       3    1   26 o    1.973000      0.4303000       1.503000 0.6132000       2.444000      0.6040000     -0.9409000      0.8607000
  1 1 1       3    1   27 o    8.147000      0.2079000       8.261000 0.2933000       8.034000      0.2947000      0.2269000      0.4157000
  1 1 1       3    1   28 o    4.589000      0.2862000       4.786000 0.3786000       4.393000      0.4293000      0.3923000      0.5724000
  1 1 1       3    1   29 o    7.976000      0.2188000       7.927000 0.3115000       8.026000      0.3074000     -0.9880000E-01  0.4376000
  1 1 1       3    1   30 o    8.873000      0.2256000       9.018000 0.3162000       8.729000      0.3218000      0.2897000      0.4511000
  1 1 1       3    1   31 o    7.056000      0.2461000       6.916000 0.3573000       7.195000      0.3385000     -0.2794000      0.4923000
  1 1 1       3    1   32 o    5.858000      0.2853000       5.547000 0.4189000       6.169000      0.3875000     -0.6221000      0.5706000
  1 1 1       3    1   33 o    8.302000      0.2563000       7.939000 0.3667000       8.666000      0.3581000     -0.7271000      0.5126000
  1 1 1       3    1   34 o    7.659000      0.2635000       7.597000 0.3818000       7.720000      0.3632000     -0.1230000      0.5270000
  1 1 1       3    1   35 o    5.068000      0.3651000       4.540000 0.5720000       5.596000      0.4539000      -1.056000      0.7302000
  1 1 1       3    1   36 o    5.689000      0.4388000       5.484000 0.6741000       5.894000      0.5619000     -0.4103000      0.8775000
  1 1 1       3    1   37 o    3.350000      0.5039000       3.746000 0.6481000       2.954000      0.7716000      0.7918000       1.008000
  1 1 1       3    1   38 o    1.457000      0.4696000       1.458000 0.6631000       1.456000      0.6651000      0.1541000E-02  0.9392000
  1 1 1       3    2    0 o    19.03000      0.3170000       19.30000 0.5220000       18.76000      0.3598000      0.5358000      0.6340000
  1 1 1       3    2    1 o    3.378000      0.9781000E-01   3.367000 0.1628000       3.389000      0.1084000     -0.2227000E-01  0.1956000
  1 1 1       3    2    2 o    11.05000      0.1845000       10.78000 0.2971000       11.32000      0.2189000     -0.5364000      0.3690000
  1 1 1       3    2    3 o    22.14000      0.3587000       21.32000 0.5713000       22.95000      0.4340000      -1.627000      0.7174000
  1 1 1       3    2    4 o    16.62000      0.3185000       16.44000 0.4497000       16.80000      0.4510000     -0.3610000      0.6369000
  1 1 1       3    2    5 o    8.434000      0.1684000       8.029000 0.2300000       8.840000      0.2462000     -0.8111000      0.3369000
  1 1 1       3    2    6 o    19.94000      0.3290000       20.11000 0.5402000       19.77000      0.3757000      0.3384000      0.6580000
  1 1 1       3    2    7 o    30.37000      0.5003000       30.77000 0.8242000       29.96000      0.5673000      0.8103000       1.001000
  1 1 1       3    2    8 o    1.865000      0.1896000       1.620000 0.3272000       2.110000      0.1918000     -0.4894000      0.3793000
  1 1 1       3    2    9 o    6.135000      0.1300000       5.929000 0.1460000       6.341000      0.2151000     -0.4121000      0.2600000
  1 1 1       3    2   10 o    10.38000      0.1874000       10.24000 0.2123000       10.52000      0.3087000     -0.2779000      0.3747000
  1 1 1       3    2   11 o    10.61000      0.1575000       10.61000 0.2210000       10.61000      0.2244000      0.1098000E-02  0.3149000
  1 1 1       3    2   12 o    15.46000      0.3067000       15.46000 0.3067000                  ?              ?              ?              ?
  1 1 1       3    2   13 o    19.37000      0.2677000       19.35000 0.3778000       19.40000      0.3792000     -0.4251000E-01  0.5353000
  1 1 1       3    2   14 o    7.814000      0.2001000                  ?       ?   7.814000      0.2001000                  ?              ?
  1 1 1       3    2   15 f    4.172000      0.1552000       4.343000 0.2089000       4.000000      0.2295000      0.3430000      0.3104000
  1 1 1       3    2   16 o    3.044000      0.2046000       3.071000 0.2942000       3.016000      0.2843000      0.5487000E-01  0.4091000
  1 1 1       3    2   17 o    14.01000      0.2091000       14.05000 0.2953000       13.97000      0.2962000      0.8311000E-01  0.4183000
  1 1 1       3    2   18 o    5.387000      0.1646000       5.579000 0.2289000       5.195000      0.2365000      0.3846000      0.3291000
  1 1 1       3    2   19 o    4.911000      0.2428000       4.753000 0.3579000       5.069000      0.3283000     -0.3157000      0.4856000
  1 1 1       3    2   20 o    5.303000      0.1811000       5.561000 0.2550000       5.046000      0.2573000      0.5152000      0.3622000
  1 1 1       3    2   21 o    3.246000      0.2681000       3.301000 0.3768000       3.190000      0.3814000      0.1112000      0.5362000
  1 1 1       3    2   22 o    14.54000      0.3228000       14.70000 0.4578000       14.39000      0.4551000      0.3094000      0.6456000
  1 1 1       3    2   23 o    3.661000      0.2768000       3.526000 0.4236000       3.797000      0.3565000     -0.2710000      0.5537000
  1 1 1       3    2   24 o    8.051000      0.1919000       8.079000 0.2741000       8.022000      0.2685000      0.5697000E-01  0.3837000
  1 1 1       3    2   25 o    10.35000      0.2028000       10.79000 0.2919000       9.912000      0.2817000      0.8737000      0.4056000
  1 1 1       3    2   26 o    6.708000      0.2103000       6.713000 0.3005000       6.702000      0.2944000      0.1136000E-01  0.4207000
  1 1 1       3    2   27 o    8.769000      0.2045000       8.800000 0.2892000       8.738000      0.2892000      0.6215000E-01  0.4090000
  1 1 1       3    2   28 o    4.376000      0.2956000       4.177000 0.4255000       4.575000      0.4104000     -0.3982000      0.5912000
  1 1 1       3    2   29 o    5.893000      0.2477000       5.914000 0.3541000       5.872000      0.3464000      0.4182000E-01  0.4954000
  1 1 1       3    2   30 o    6.041000      0.2525000       5.867000 0.3732000       6.214000      0.3402000     -0.3467000      0.5050000
  1 1 1       3    2   31 o    4.110000      0.3587000       4.155000 0.5166000       4.065000      0.4978000      0.8930000E-01  0.7174000
  1 1 1       3    2   32 o    3.236000      0.4731000       3.488000 0.6374000       2.983000      0.6992000      0.5045000      0.9461000
  1 1 1       3    2   33 o    2.364000      0.5538000       2.166000 0.7869000       2.561000      0.7794000     -0.3953000       1.108000
  1 1 1       3    2   34 o    2.134000      0.5487000       2.148000 0.7859000       2.120000      0.7659000      0.2794000E-01   1.097000
  1 1 1       3    2   35 o    6.287000      0.4093000       6.232000 0.6225000       6.343000      0.5317000     -0.1101000      0.8187000
  1 1 1       3    2   36 o    6.452000      0.3756000       6.449000 0.5571000       6.454000      0.5039000     -0.5135000E-02  0.7512000
  1 1 1       3    2   37 o    2.351000      0.5542000       2.092000 0.7890000       2.610000      0.7785000     -0.5174000       1.108000
  1 1 1       3    2   38 o    1.743000      0.5706000       1.713000 0.7976000       1.772000      0.8163000     -0.5983000E-01   1.141000
  1 1 1       3    3    0 o    19.96000      0.2701000       19.83000 0.3795000       20.10000      0.3844000     -0.2723000      0.5402000
  1 1 1       3    3    1 o    29.01000      0.3895000       29.71000 0.5647000       28.31000      0.5368000       1.405000      0.7791000
  1 1 1       3    3    2 o    19.51000      0.3238000       19.90000 0.5354000       19.12000      0.3644000      0.7840000      0.6477000
  1 1 1       3    3    3 o    3.643000      0.8620000E-01   3.497000 0.1385000       3.788000      0.1026000     -0.2907000      0.1724000
  1 1 1       3    3    4 o    6.372000      0.1303000       6.032000 0.1782000       6.712000      0.1902000     -0.6799000      0.2606000
  1 1 1       3    3    5 o    17.01000      0.3256000       17.20000 0.4642000       16.82000      0.4567000      0.3731000      0.6512000
  1 1 1       3    3    6 o    21.15000      0.2843000       21.00000 0.3994000       21.29000      0.4047000     -0.2931000      0.5686000
  1 1 1       3    3    7 o    19.01000      0.2570000       19.09000 0.3647000       18.94000      0.3623000      0.1466000      0.5141000
  1 1 1       3    3    8 o    6.941000      0.1594000       6.754000 0.2240000       7.128000      0.2269000     -0.3738000      0.3189000
  1 1 1       3    3    9 o    12.76000      0.2194000       12.36000 0.3525000       13.15000      0.2614000     -0.7895000      0.4389000
  1 1 1       3    3   10 o    23.72000      0.3215000       23.72000 0.4545000       23.73000      0.4547000     -0.1213000E-01  0.6429000
  1 1 1       3    3   11 o    13.42000      0.1918000       13.40000 0.2702000       13.45000      0.2722000     -0.5370000E-01  0.3836000
  1 1 1       3    3   12 o    8.540000      0.1984000       8.540000 0.1984000                  ?              ?              ?              ?
  1 1 1       3    3   13 o    4.304000      0.1437000       4.171000 0.1963000       4.436000      0.2100000     -0.2654000      0.2875000
  1 1 1       3    3   14 o    6.783000      0.2036000                  ?       ?   6.783000      0.2036000                  ?              ?
  1 1 1       3    3   15 o    2.221000      0.2847000       2.619000 0.3087000       1.823000      0.4784000      0.7962000      0.5694000
  1 1 1       3    3   16 o    10.66000      0.1748000       10.43000 0.2403000       10.90000      0.2540000     -0.4648000      0.3497000
  1 1 1       3    3   17 o    3.017000      0.2558000       3.421000 0.2807000       2.613000      0.4277000      0.8079000      0.5116000
  1 1 1       3    3   18 o    10.15000      0.2505000       10.16000 0.3435000       10.14000      0.3645000      0.2044000E-01  0.5009000
  1 1 1       3    3   19 o    9.713000      0.1783000       9.647000 0.2427000       9.779000      0.2614000     -0.1325000      0.3567000
  1 1 1       3    3   20 o    6.596000      0.1789000       6.744000 0.2401000       6.447000      0.2652000      0.2969000      0.3577000
  1 1 1       3    3   21 o    2.757000      0.4523000       2.985000 0.5816000       2.530000      0.6929000      0.4549000      0.9046000
  1 1 1       3    3   22 o    8.887000      0.2703000       9.324000 0.3758000       8.450000      0.3886000      0.8743000      0.5406000
  1 1 1       3    3   23 o    8.816000      0.1909000       8.833000 0.2682000       8.799000      0.2718000      0.3410000E-01  0.3819000
  1 1 1       3    3   24 o    4.500000      0.2340000       4.604000 0.3412000       4.396000      0.3203000      0.2073000      0.4680000
  1 1 1       3    3   25 o    11.64000      0.2074000       11.87000 0.2957000       11.41000      0.2909000      0.4606000      0.4148000
  1 1 1       3    3   26 o    6.100000      0.2074000       5.970000 0.2996000       6.230000      0.2869000     -0.2594000      0.4148000
  1 1 1       3    3   27 o    4.288000      0.2857000       3.868000 0.4336000       4.707000      0.3722000     -0.8386000      0.5714000
  1 1 1       3    3   28 o    1.678000      0.4583000       1.908000 0.6792000       1.448000      0.6155000      0.4608000      0.9166000
  1 1 1       3    3   29 o    3.504000      0.3818000       3.907000 0.4727000       3.102000      0.5997000      0.8049000      0.7636000
  1 1 1       3    3   30 o    6.662000      0.2467000       6.457000 0.3654000       6.866000      0.3315000     -0.4095000      0.4933000
  1 1 1       3    3   31 o    5.498000      0.2861000       5.821000 0.3905000       5.175000      0.4181000      0.6459000      0.5721000
  1 1 1       3    3   32 o    11.29000      0.2342000       11.20000 0.3374000       11.39000      0.3248000     -0.1851000      0.4683000
  1 1 1       3    3   33 o    3.194000      0.4845000       3.587000 0.6685000       2.800000      0.7013000      0.7863000      0.9689000
  1 1 1       3    3   34 o    5.744000      0.3077000       5.450000 0.4673000       6.038000      0.4005000     -0.5879000      0.6155000
  1 1 1       3    3   35 o    3.903000      0.5735000       3.972000 0.8701000       3.833000      0.7475000      0.1395000       1.147000
  1 1 1       3    3   36 o    1.756000      0.5177000       1.819000 0.7447000       1.694000      0.7194000      0.1249000       1.035000
  1 1 1       3    3   37 o    1.849000      0.5640000       1.883000 0.7629000       1.816000      0.8310000      0.6703000E-01   1.128000
  1 1 1       3    3   38 o    3.013000      0.6980000       2.571000 0.9888000       3.454000      0.9853000     -0.8824000       1.396000
  1 1 1       3    4    0 o    15.10000      0.2076000       15.24000 0.2958000       14.97000      0.2913000      0.2685000      0.4152000
  1 1 1       3    4    1 o    16.06000      0.2186000       15.95000 0.3072000       16.17000      0.3109000     -0.2194000      0.4371000
  1 1 1       3    4    2 o    6.362000      0.9652000E-01   6.402000 0.1362000       6.322000      0.1368000      0.8024000E-01  0.1930000
  1 1 1       3    4    3 o    5.448000      0.9784000E-01   5.428000 0.1331000       5.469000      0.1434000     -0.4103000E-01  0.1957000
  1 1 1       3    4    4 o    3.927000      0.1874000       3.768000 0.2648000       4.087000      0.2653000     -0.3192000      0.3749000
  1 1 1       3    4    5 o    8.194000      0.1810000       7.984000 0.2166000       8.403000      0.2900000     -0.4194000      0.3620000
  1 1 1       3    4    6 o    7.047000      0.1125000       6.994000 0.1604000       7.099000      0.1578000     -0.1050000      0.2250000
  1 1 1       3    4    7 o    15.31000      0.2094000       15.29000 0.2956000       15.33000      0.2965000     -0.4350000E-01  0.4187000
  1 1 1       3    4    8 o    26.16000      0.3518000       26.18000 0.4982000       26.14000      0.4970000      0.3995000E-01  0.7037000
  1 1 1       3    4    9 o    15.47000      0.2139000       15.56000 0.3041000       15.39000      0.3010000      0.1709000      0.4279000
  1 1 1       3    4   10 o    6.782000      0.1230000       6.766000 0.1746000       6.798000      0.1732000     -0.3161000E-01  0.2459000
  1 1 1       3    4   11 o    5.455000      0.1249000       5.579000 0.1761000       5.331000      0.1772000      0.2475000      0.2498000
  1 1 1       3    4   12 o    22.19000      0.3038000       22.01000 0.4266000       22.38000      0.4326000     -0.3631000      0.6076000
  1 1 1       3    4   13 o    15.60000      0.2228000       15.66000 0.3159000       15.55000      0.3142000      0.1097000      0.4456000
  1 1 1       3    4   14 o    7.509000      0.1488000       7.438000 0.2083000       7.581000      0.2126000     -0.1425000      0.2976000
  1 1 1       3    4   15 o    4.883000      0.1583000       5.108000 0.2117000       4.657000      0.2354000      0.4516000      0.3166000
  1 1 1       3    4   16 o    10.33000      0.1731000       10.64000 0.2456000       10.03000      0.2440000      0.6031000      0.3462000
  1 1 1       3    4   17 o    9.040000      0.2309000       9.046000 0.3134000       9.035000      0.3391000      0.1089000E-01  0.4618000
  1 1 1       3    4   18 o    6.034000      0.1692000       6.203000 0.2238000       5.865000      0.2537000      0.3382000      0.3383000
  1 1 1       3    4   19 o    7.696000      0.1703000       7.679000 0.2300000       7.714000      0.2512000     -0.3520000E-01  0.3406000
  1 1 1       3    4   20 o    4.989000      0.2865000       4.800000 0.4013000       5.178000      0.4090000     -0.3782000      0.5730000
  1 1 1       3    4   21 o    6.452000      0.2620000       6.221000 0.3665000       6.684000      0.3745000     -0.4630000      0.5240000
  1 1 1       3    4   22 f    5.990000      0.1965000       5.887000 0.2636000       6.093000      0.2914000     -0.2061000      0.3929000
  1 1 1       3    4   23 o    8.135000      0.1950000       8.017000 0.2662000       8.252000      0.2850000     -0.2349000      0.3899000
  1 1 1       3    4   24 o    3.577000      0.3085000       3.713000 0.3940000       3.441000      0.4748000      0.2714000      0.6170000
  1 1 1       3    4   25 o    9.261000      0.2036000       9.591000 0.2785000       8.930000      0.2970000      0.6614000      0.4072000
  1 1 1       3    4   26 o    2.585000      0.4353000       2.594000 0.5717000       2.575000      0.6564000      0.1837000E-01  0.8705000
  1 1 1       3    4   27 o    2.871000      0.4208000       2.399000 0.6066000       3.342000      0.5835000     -0.9432000      0.8417000
  1 1 1       3    4   28 o    3.512000      0.4144000       4.203000 0.4221000       2.821000      0.7133000       1.382000      0.8288000
  1 1 1       3    4   29 o    14.71000      0.2522000       14.51000 0.3414000       14.90000      0.3712000     -0.3940000      0.5043000
  1 1 1       3    4   30 o    3.132000      0.4842000       3.479000 0.5709000       2.785000      0.7822000      0.6936000      0.9684000
  1 1 1       3    4   31 o    12.63000      0.2503000       12.69000 0.3406000       12.56000      0.3667000      0.1312000      0.5005000
  1 1 1       3    4   32 o    11.90000      0.2564000       11.52000 0.3388000       12.28000      0.3849000     -0.7531000      0.5128000
  1 1 1       3    4   33 o    5.487000      0.3555000       5.197000 0.4769000       5.778000      0.5273000     -0.5802000      0.7109000
  1 1 1       3    4   34 o    5.869000      0.5070000       5.581000 0.6147000       6.157000      0.8065000     -0.5767000       1.014000
  1 1 1       3    4   35 o    2.206000      0.5239000       2.902000 0.7722000       1.510000      0.7081000       1.392000       1.048000
  1 1 1       3    4   36 f    4.113000      0.4554000       4.094000 0.5994000       4.133000      0.6856000     -0.3943000E-01  0.9107000
  1 1 1       3    4   37 o    2.372000      0.6111000       1.511000 0.7354000       3.233000      0.9762000      -1.721000       1.222000
  1 1 1       3    4   38 o    2.214000      0.6107000       2.172000 0.8134000       2.256000      0.9111000     -0.8495000E-01   1.221000
  1 1 1       3    5    0 o    6.888000      0.1613000       6.867000 0.2244000       6.909000      0.2318000     -0.4186000E-01  0.3227000
  1 1 1       3    5    1 o    11.69000      0.1628000       11.70000 0.2303000       11.68000      0.2301000      0.1806000E-01  0.3256000
  1 1 1       3    5    2 o    9.979000      0.1410000       10.19000 0.2024000       9.772000      0.1965000      0.4150000      0.2821000
  1 1 1       3    5    3 o    8.033000      0.1340000       7.702000 0.1751000       8.363000      0.2030000     -0.6604000      0.2681000
  1 1 1       3    5    4 o    3.455000      0.2400000       3.220000 0.3682000       3.690000      0.3079000     -0.4695000      0.4800000
  1 1 1       3    5    5 o    10.45000      0.2702000       10.16000 0.4849000       10.74000      0.2384000     -0.5836000      0.5403000
  1 1 1       3    5    6 o    11.79000      0.2129000       11.40000 0.2428000       12.19000      0.3497000     -0.7830000      0.4257000
  1 1 1       3    5    7 o    19.28000      0.2628000       19.40000 0.3737000       19.16000      0.3695000      0.2372000      0.5255000
  1 1 1       3    5    8 o    16.14000      0.2219000       16.05000 0.3127000       16.24000      0.3149000     -0.1930000      0.4438000
  1 1 1       3    5    9 o    19.16000      0.2615000       19.02000 0.3675000       19.30000      0.3722000     -0.2739000      0.5230000
  1 1 1       3    5   10 o    11.33000      0.1667000       11.28000 0.2362000       11.38000      0.2353000     -0.1065000      0.3334000
  1 1 1       3    5   11 o    13.05000      0.1885000       13.03000 0.2660000       13.06000      0.2672000     -0.3894000E-01  0.3770000
  1 1 1       3    5   12 o    20.90000      0.2877000       20.86000 0.4059000       20.95000      0.4079000     -0.9271000E-01  0.5755000
  1 1 1       3    5   13 o    5.843000      0.1413000       6.009000 0.1980000       5.677000      0.2017000      0.3326000      0.2827000
  1 1 1       3    5   14 o    3.140000      0.2828000       2.947000 0.4990000       3.333000      0.2664000     -0.3860000      0.5656000
  1 1 1       3    5   16 o    8.768000      0.2248000       9.152000 0.3152000       8.384000      0.3207000      0.7677000      0.4497000
  1 1 1       3    5   17 o    10.99000      0.1814000       11.20000 0.2548000       10.78000      0.2583000      0.4220000      0.3628000
  1 1 1       3    5   18 o    11.54000      0.1892000       11.76000 0.2656000       11.32000      0.2694000      0.4433000      0.3783000
  1 1 1       3    5   19 o    3.224000      0.3851000       3.545000 0.4633000       2.903000      0.6153000      0.6415000      0.7703000
  1 1 1       3    5   20 o    4.653000      0.3010000       4.487000 0.4188000       4.818000      0.4325000     -0.3308000      0.6020000
  1 1 1       3    5   21 o    6.892000      0.1864000       7.018000 0.2491000       6.766000      0.2773000      0.2518000      0.3727000
  1 1 1       3    5   22 o    3.776000      0.2801000       3.940000 0.3636000       3.613000      0.4261000      0.3267000      0.5602000
  1 1 1       3    5   23 o    8.146000      0.1939000       8.503000 0.2647000       7.789000      0.2835000      0.7140000      0.3879000
  1 1 1       3    5   24 o    13.21000      0.2204000       13.56000 0.3111000       12.87000      0.3123000      0.6870000      0.4408000
  1 1 1       3    5   25 o    11.56000      0.2109000       11.49000 0.2889000       11.63000      0.3072000     -0.1359000      0.4217000
  1 1 1       3    5   26 o    3.499000      0.3386000       3.534000 0.4436000       3.464000      0.5117000      0.6948000E-01  0.6773000
  1 1 1       3    5   27 o    7.706000      0.2196000       7.926000 0.2896000       7.486000      0.3301000      0.4401000      0.4391000
  1 1 1       3    5   28 o    6.283000      0.2437000       5.852000 0.3373000       6.714000      0.3518000     -0.8619000      0.4874000
  1 1 1       3    5   29 o    9.420000      0.2290000       9.377000 0.3106000       9.463000      0.3366000     -0.8595000E-01  0.4580000
  1 1 1       3    5   30 o    5.091000      0.3060000       4.854000 0.4155000       5.328000      0.4493000     -0.4740000      0.6120000
  1 1 1       3    5   31 o    10.47000      0.2421000       10.58000 0.3253000       10.37000      0.3585000      0.2092000      0.4841000
  1 1 1       3    5   32 o    2.969000      0.5693000       2.736000 0.7727000       3.202000      0.8362000     -0.4667000       1.139000
  1 1 1       3    5   33 o    6.881000      0.4220000       6.356000 0.5751000       7.407000      0.6177000      -1.051000      0.8440000
  1 1 1       3    5   34 o    2.382000      0.6318000       2.835000 0.9001000       1.929000      0.8870000      0.9056000       1.264000
  1 1 1       3    5   35 o    1.884000      0.5517000       1.488000 0.6766000       2.281000      0.8717000     -0.7933000       1.103000
  1 1 1       3    5   36 o    2.378000      0.6672000       2.641000 0.9744000       2.116000      0.9116000      0.5249000       1.334000
  1 1 1       3    5   37 o    3.194000      0.7129000       3.545000 0.9849000       2.843000       1.031000      0.7021000       1.426000
  1 1 1       3    5   38 f    2.681000      0.8354000                  ?       ?   2.681000      0.8354000                  ?              ?
  1 1 1       3    6    0 o    15.20000      0.2092000       15.10000 0.2940000       15.30000      0.2979000     -0.2011000      0.4185000
  1 1 1       3    6    1 o    26.51000      0.3559000       26.75000 0.5075000       26.27000      0.4989000      0.4800000      0.7117000
  1 1 1       3    6    2 o    8.558000      0.1542000       8.631000 0.1823000       8.484000      0.2489000      0.1475000      0.3085000
  1 1 1       3    6    3 o    8.717000      0.1700000       8.724000 0.2111000       8.710000      0.2664000      0.1396000E-01  0.3399000
  1 1 1       3    6    4 o    9.771000      0.2099000       9.677000 0.3038000       9.865000      0.2897000     -0.1880000      0.4198000
  1 1 1       3    6    5 o    21.92000      0.3922000       22.18000 0.6590000       21.66000      0.4255000      0.5177000      0.7844000
  1 1 1       3    6    6 o    2.138000      0.2468000       2.068000 0.3567000       2.208000      0.3412000     -0.1400000      0.4936000
  1 1 1       3    6    7 o    13.38000      0.1906000       13.39000 0.2706000       13.38000      0.2687000      0.1166000E-01  0.3813000
  1 1 1       3    6    8 o    5.667000      0.1144000       5.802000 0.1645000       5.532000      0.1592000      0.2696000      0.2289000
  1 1 1       3    6    9 o    13.48000      0.1905000       13.37000 0.2682000       13.58000      0.2705000     -0.2042000      0.3809000
  1 1 1       3    6   10 o    20.11000      0.2752000       20.05000 0.3881000       20.17000      0.3902000     -0.1200000      0.5504000
  1 1 1       3    6   11 o    4.639000      0.1324000       4.755000 0.1842000       4.524000      0.1902000      0.2319000      0.2648000
  1 1 1       3    6   12 o    2.229000      0.2350000       2.123000 0.3487000       2.335000      0.3152000     -0.2116000      0.4700000
  1 1 1       3    6   13 o    2.335000      0.2450000       2.423000 0.3270000       2.248000      0.3648000      0.1752000      0.4900000
  1 1 1       3    6   15 o    16.19000      0.2346000       16.15000 0.3323000       16.23000      0.3313000     -0.7817000E-01  0.4693000
  1 1 1       3    6   16 o    12.94000      0.1999000       12.94000 0.2846000       12.95000      0.2808000     -0.1554000E-01  0.3998000
  1 1 1       3    6   17 o    6.536000      0.2547000       6.402000 0.3782000       6.670000      0.3414000     -0.2682000      0.5095000
  1 1 1       3    6   18 o    6.582000      0.2556000       6.889000 0.3781000       6.275000      0.3440000      0.6142000      0.5112000
  1 1 1       3    6   19 o    5.270000      0.2230000       5.042000 0.3536000       5.497000      0.2718000     -0.4550000      0.4460000
  1 1 1       3    6   20 o    12.83000      0.2082000       13.16000 0.2952000       12.49000      0.2938000      0.6727000      0.4165000
  1 1 1       3    6   21 o    8.587000      0.1837000       8.464000 0.2495000       8.709000      0.2696000     -0.2451000      0.3674000
  1 1 1       3    6   22 o    13.54000      0.2196000       13.14000 0.3005000       13.94000      0.3203000     -0.7977000      0.4392000
  1 1 1       3    6   23 o    9.552000      0.1966000       9.714000 0.2687000       9.390000      0.2870000      0.3243000      0.3932000
  1 1 1       3    6   24 o    9.037000      0.1980000       9.492000 0.2731000       8.582000      0.2867000      0.9098000      0.3960000
  1 1 1       3    6   25 o    6.918000      0.2106000       6.739000 0.2880000       7.098000      0.3073000     -0.3595000      0.4211000
  1 1 1       3    6   26 o    9.793000      0.2087000       9.507000 0.2845000       10.08000      0.3054000     -0.5725000      0.4174000
  1 1 1       3    6   27 o    10.43000      0.2169000       10.55000 0.2952000       10.30000      0.3179000      0.2498000      0.4338000
  1 1 1       3    6   28 f    11.00000      0.2257000       11.26000 0.3105000       10.74000      0.3275000      0.5276000      0.4513000
  1 1 1       3    6   29 o    4.418000      0.3344000       4.200000 0.4491000       4.637000      0.4956000     -0.4368000      0.6688000
  1 1 1       3    6   30 o    3.481000      0.4360000       3.393000 0.5858000       3.570000      0.6459000     -0.1774000      0.8720000
  1 1 1       3    6   31 o    8.729000      0.2464000       8.683000 0.3266000       8.775000      0.3690000     -0.9168000E-01  0.4928000
  1 1 1       3    6   32 o    6.483000      0.4211000       6.465000 0.5554000       6.501000      0.6330000     -0.3607000E-01  0.8422000
  1 1 1       3    6   33 o    7.553000      0.3877000       7.683000 0.4877000       7.422000      0.6028000      0.2612000      0.7754000
  1 1 1       3    6   34 o    2.148000      0.5555000       2.433000 0.7795000       1.862000      0.7918000      0.5710000       1.111000
  1 1 1       3    6   35 o    3.346000      0.7023000       3.668000 0.9480000       3.024000       1.036000      0.6436000       1.405000
  1 1 1       3    6   36 o    2.130000      0.6480000       2.152000 0.9130000       2.107000      0.9197000      0.4475000E-01   1.296000
  1 1 1       3    6   37 o    2.291000      0.5666000       1.908000 0.7799000       2.675000      0.8221000     -0.7675000       1.133000
  1 1 1       3    7    0 o    5.733000      0.1065000       5.596000 0.1463000       5.870000      0.1548000     -0.2738000      0.2130000
  1 1 1       3    7    1 o    12.00000      0.1696000       11.98000 0.2388000       12.02000      0.2409000     -0.4481000E-01  0.3392000
  1 1 1       3    7    2 o    22.61000      0.3084000       22.60000 0.4348000       22.62000      0.4376000     -0.1442000E-01  0.6169000
  1 1 1       3    7    3 o    11.33000      0.1998000       11.50000 0.2722000       11.16000      0.2926000      0.3468000      0.3996000
  1 1 1       3    7    4 o    9.965000      0.3848000       10.18000 0.7064000       9.751000      0.3053000      0.4275000      0.7695000
  1 1 1       3    7    5 f    31.20000      0.6075000       31.07000 0.8428000       31.32000      0.8751000     -0.2523000       1.215000
  1 1 1       3    7    6 o    11.31000      0.1943000       11.45000 0.2885000       11.17000      0.2604000      0.2826000      0.3886000
  1 1 1       3    7    7 o    5.203000      0.1476000       5.204000 0.2089000       5.201000      0.2085000      0.2562000E-02  0.2952000
  1 1 1       3    7    8 o    18.93000      0.2610000       19.00000 0.3704000       18.87000      0.3680000      0.1249000      0.5221000
  1 1 1       3    7    9 o    13.78000      0.1962000       13.91000 0.2805000       13.64000      0.2743000      0.2759000      0.3923000
  1 1 1       3    7   10 o    17.37000      0.2411000       17.32000 0.3401000       17.42000      0.3420000     -0.9974000E-01  0.4823000
  1 1 1       3    7   11 o    14.36000      0.2877000       14.18000 0.4020000       14.54000      0.4118000     -0.3549000      0.5754000
  1 1 1       3    7   12 o    8.566000      0.2005000       8.746000 0.2864000       8.386000      0.2808000      0.3594000      0.4011000
  1 1 1       3    7   13 o    16.85000      0.3388000       16.85000 0.3388000                  ?              ?              ?              ?
  1 1 1       3    7   14 o    9.120000      0.1599000       9.217000 0.2274000       9.023000      0.2247000      0.1940000      0.3197000
  1 1 1       3    7   15 o    9.854000      0.2381000                  ?       ?   9.854000      0.2381000                  ?              ?
  1 1 1       3    7   16 o    8.104000      0.2419000       8.492000 0.3549000       7.716000      0.3289000      0.7763000      0.4839000
  1 1 1       3    7   17 o    11.74000      0.2771000       12.31000 0.4104000       11.17000      0.3724000       1.140000      0.5542000
  1 1 1       3    7   18 o    12.90000      0.2044000       12.96000 0.2910000       12.83000      0.2871000      0.1270000      0.4088000
  1 1 1       3    7   19 o    4.287000      0.3101000       4.876000 0.5040000       3.698000      0.3616000       1.178000      0.6203000
  1 1 1       3    7   20 o    10.83000      0.1952000       10.81000 0.2789000       10.86000      0.2732000     -0.5322000E-01  0.3904000
  1 1 1       3    7   21 o    11.02000      0.1978000       11.15000 0.2834000       10.90000      0.2759000      0.2510000      0.3955000
  1 1 1       3    7   22 o    6.564000      0.1956000       6.617000 0.2640000       6.511000      0.2886000      0.1060000      0.3911000
  1 1 1       3    7   23 o    7.401000      0.1973000       7.546000 0.2678000       7.257000      0.2899000      0.2881000      0.3946000
  1 1 1       3    7   24 o    9.912000      0.2031000       9.531000 0.2740000       10.29000      0.2998000     -0.7608000      0.4062000
  1 1 1       3    7   25 o    8.353000      0.2046000       8.247000 0.2807000       8.458000      0.2978000     -0.2108000      0.4092000
  1 1 1       3    7   26 f    3.198000      0.3787000       2.825000 0.5359000       3.571000      0.5353000     -0.7462000      0.7575000
  1 1 1       3    7   27 o    8.888000      0.2144000       8.496000 0.2893000       9.280000      0.3165000     -0.7834000      0.4288000
  1 1 1       3    7   28 o    7.896000      0.2313000       8.211000 0.2972000       7.580000      0.3545000      0.6308000      0.4626000
  1 1 1       3    7   29 o    2.089000      0.5157000       1.720000 0.6744000       2.457000      0.7802000     -0.7374000       1.031000
  1 1 1       3    7   30 f    4.784000      0.3344000       5.058000 0.4132000       4.510000      0.5259000      0.5485000      0.6688000
  1 1 1       3    7   31 o    3.580000      0.5922000       3.968000 0.6950000       3.192000      0.9591000      0.7758000       1.184000
  1 1 1       3    7   32 o    8.728000      0.3618000       8.911000 0.4699000       8.545000      0.5503000      0.3656000      0.7236000
  1 1 1       3    7   33 o    11.40000      0.2511000       11.32000 0.3429000       11.48000      0.3669000     -0.1597000      0.5022000
  1 1 1       3    7   34 o    2.496000      0.6029000       2.424000 0.9092000       2.567000      0.7919000     -0.1432000       1.206000
  1 1 1       3    7   35 o    2.544000      0.6054000       3.604000 0.9735000       1.484000      0.7201000       2.120000       1.211000
  1 1 1       3    7   36 o    1.561000      0.5014000       1.574000 0.7075000       1.549000      0.7106000      0.2417000E-01   1.003000
  1 1 1       3    7   37 o    3.791000      0.4807000       4.199000 0.5943000       3.382000      0.7558000      0.8172000      0.9614000
  1 1 1       3    8    0 o    12.90000      0.2245000       12.57000 0.2507000       13.24000      0.3726000     -0.6713000      0.4491000
  1 1 1       3    8    1 o    17.01000      0.2353000       16.76000 0.3261000       17.26000      0.3394000     -0.5019000      0.4707000
  1 1 1       3    8    2 o    7.944000      0.1494000       7.796000 0.1989000       8.092000      0.2230000     -0.2960000      0.2988000
  1 1 1       3    8    3 o    24.69000      0.4362000       25.18000 0.7137000       24.20000      0.5017000      0.9766000      0.8724000
  1 1 1       3    8    4 o    7.720000      0.2454000       7.392000 0.3594000       8.049000      0.3342000     -0.6567000      0.4908000
  1 1 1       3    8    5 o    9.177000      0.2330000       9.229000 0.3321000       9.125000      0.3268000      0.1040000      0.4660000
  1 1 1       3    8    6 o    11.97000      0.2210000       12.18000 0.3265000       11.77000      0.2980000      0.4040000      0.4420000
  1 1 1       3    8    7 o    23.04000      0.3200000       22.88000 0.4546000       23.20000      0.4504000     -0.3251000      0.6400000
  1 1 1       3    8    8 o    20.92000      0.4139000       20.66000 0.5857000       21.17000      0.5851000     -0.5068000      0.8279000
  1 1 1       3    8    9 o    20.00000      0.3925000       20.14000 0.5626000       19.87000      0.5474000      0.2745000      0.7849000
  1 1 1       3    8   10 o    6.989000      0.1893000       6.874000 0.2713000       7.104000      0.2642000     -0.2292000      0.3787000
  1 1 1       3    8   11 o    13.41000      0.1950000       13.32000 0.2751000       13.50000      0.2765000     -0.1872000      0.3901000
  1 1 1       3    8   12 o    14.09000      0.2041000       13.88000 0.2852000       14.29000      0.2919000     -0.4130000      0.4081000
  1 1 1       3    8   13 o    11.05000      0.3579000       11.05000 0.3579000                  ?              ?              ?              ?
  1 1 1       3    8   14 o    8.368000      0.2274000       8.434000 0.3243000       8.302000      0.3188000      0.1318000      0.4547000
  1 1 1       3    8   15 o    6.218000      0.3179000                  ?       ?   6.218000      0.3179000                  ?              ?
  1 1 1       3    8   16 o    6.789000      0.1600000       6.747000 0.2305000       6.831000      0.2219000     -0.8426000E-01  0.3199000
  1 1 1       3    8   17 o    8.614000      0.1694000       8.815000 0.2435000       8.412000      0.2357000      0.4027000      0.3389000
  1 1 1       3    8   18 o    8.869000      0.1745000       9.003000 0.2498000       8.735000      0.2437000      0.2676000      0.3490000
  1 1 1       3    8   19 f    2.840000      0.3046000       2.940000 0.4238000       2.740000      0.4376000      0.1997000      0.6092000
  1 1 1       3    8   20 o    9.284000      0.1862000       9.232000 0.2648000       9.336000      0.2620000     -0.1044000      0.3725000
  1 1 1       3    8   21 o    1.631000      0.3828000       2.261000 0.6011000       1.002000      0.4742000       1.260000      0.7656000
  1 1 1       3    8   22 o    6.759000      0.2019000       6.649000 0.2870000       6.870000      0.2840000     -0.2213000      0.4038000
  1 1 1       3    8   23 o    4.138000      0.2750000       3.982000 0.3800000       4.294000      0.3976000     -0.3122000      0.5500000
  1 1 1       3    8   24 o    20.90000      0.3035000       20.71000 0.4235000       21.08000      0.4349000     -0.3739000      0.6070000
  1 1 1       3    8   25 o    8.704000      0.2021000       8.869000 0.2734000       8.539000      0.2978000      0.3299000      0.4042000
  1 1 1       3    8   26 o    7.306000      0.2192000       7.775000 0.2854000       6.837000      0.3327000      0.9382000      0.4384000
  1 1 1       3    8   27 o    2.945000      0.4224000       2.211000 0.6495000       3.679000      0.5404000      -1.469000      0.8449000
  1 1 1       3    8   28 o    10.32000      0.2248000       10.29000 0.3001000       10.35000      0.3348000     -0.6438000E-01  0.4496000
  1 1 1       3    8   29 f    4.654000      0.3219000       4.098000 0.4723000       5.210000      0.4374000      -1.112000      0.6438000
  1 1 1       3    8   30 o    6.405000      0.3795000       6.040000 0.4964000       6.770000      0.5742000     -0.7297000      0.7590000
  1 1 1       3    8   31 o    3.311000      0.6274000       2.686000 0.8646000       3.935000      0.9094000      -1.249000       1.255000
  1 1 1       3    8   32 o    2.503000      0.5716000       2.483000 0.7826000       2.524000      0.8334000     -0.4114000E-01   1.143000
  1 1 1       3    8   33 o    7.280000      0.4098000       7.152000 0.5836000       7.408000      0.5754000     -0.2561000      0.8196000
  1 1 1       3    8   34 o    4.750000      0.5713000       5.304000 0.7272000       4.197000      0.8812000       1.107000       1.143000
  1 1 1       3    8   35 o    1.796000      0.5396000       1.831000 0.7500000       1.760000      0.7759000      0.7102000E-01   1.079000
  1 1 1       3    8   36 o    1.768000      0.5367000       1.744000 0.7397000       1.793000      0.7778000     -0.4892000E-01   1.073000
  1 1 1       3    8   37 o    3.224000      0.5583000       3.309000 0.7689000       3.139000      0.8097000      0.1693000       1.117000
  1 1 1       3    9    1 o    17.60000      0.3439000       16.97000 0.4729000       18.24000      0.4994000      -1.272000      0.6877000
  1 1 1       3    9    2 f    5.134000      0.1966000       5.402000 0.3055000       4.867000      0.2477000      0.5344000      0.3933000
  1 1 1       3    9    3 o    20.16000      0.4131000       20.58000 0.6194000       19.74000      0.5468000      0.8410000      0.8262000
  1 1 1       3    9    4 o    7.661000      0.6827000       6.928000 1.308000       8.394000      0.3919000      -1.465000       1.365000
  1 1 1       3    9    5 o    11.62000      0.4911000       12.32000 0.8868000       10.93000      0.4221000       1.385000      0.9821000
  1 1 1       3    9    6 f    12.48000      0.2305000       12.58000 0.3410000       12.38000      0.3103000      0.1950000      0.4610000
  1 1 1       3    9    7 f    10.18000      0.2051000       10.56000 0.3270000       9.792000      0.2475000      0.7721000      0.4101000
  1 1 1       3    9    8 o    12.99000      0.2040000       13.09000 0.2989000       12.89000      0.2776000      0.1988000      0.4079000
  1 1 1       3    9    9 o    21.24000      0.2937000       21.27000 0.4171000       21.20000      0.4136000      0.6693000E-01  0.5874000
  1 1 1       3    9   10 o    17.07000      0.3377000       17.65000 0.4917000       16.49000      0.4630000       1.162000      0.6754000
  1 1 1       3    9   11 o    11.48000      0.2468000       11.37000 0.3479000       11.59000      0.3502000     -0.2133000      0.4936000
  1 1 1       3    9   12 o    12.49000      0.2672000       12.74000 0.3842000       12.23000      0.3715000      0.5042000      0.5344000
  1 1 1       3    9   13 o    6.822000      0.1849000       7.005000 0.2129000       6.639000      0.3023000      0.3655000      0.3697000
  1 1 1       3    9   14 o    2.027000      0.3153000       1.672000 0.4989000       2.382000      0.3855000     -0.7101000      0.6305000
  1 1 1       3    9   15 o    6.387000      0.1608000       6.219000 0.2334000       6.555000      0.2212000     -0.3360000      0.3216000
  1 1 1       3    9   16 o    5.236000      0.1727000       4.995000 0.2497000       5.476000      0.2385000     -0.4804000      0.3453000
  1 1 1       3    9   17 o    2.628000      0.3031000       2.830000 0.3932000       2.426000      0.4615000      0.4042000      0.6063000
  1 1 1       3    9   18 o    10.92000      0.1874000       10.91000 0.2660000       10.94000      0.2641000     -0.2923000E-01  0.3748000
  1 1 1       3    9   19 o    4.021000      0.2387000       3.842000 0.3359000       4.201000      0.3393000     -0.3590000      0.4774000
  1 1 1       3    9   20 o    9.802000      0.1887000       9.784000 0.2688000       9.820000      0.2650000     -0.3631000E-01  0.3775000
  1 1 1       3    9   21 o    1.426000      0.4097000       1.494000 0.5885000       1.359000      0.5702000      0.1348000      0.8194000
  1 1 1       3    9   22 o    6.098000      0.2073000       5.943000 0.2995000       6.252000      0.2866000     -0.3095000      0.4145000
  1 1 1       3    9   23 o    5.377000      0.2311000       5.319000 0.3333000       5.435000      0.3201000     -0.1156000      0.4622000
  1 1 1       3    9   24 o    7.229000      0.2111000       7.173000 0.2866000       7.286000      0.3099000     -0.1127000      0.4221000
  1 1 1       3    9   25 o    9.423000      0.2117000       9.414000 0.2972000       9.431000      0.3015000     -0.1720000E-01  0.4234000
  1 1 1       3    9   26 o    7.281000      0.2247000       7.555000 0.2949000       7.008000      0.3390000      0.5465000      0.4493000
  1 1 1       3    9   27 o    8.821000      0.2183000       8.854000 0.2899000       8.787000      0.3266000      0.6714000E-01  0.4367000
  1 1 1       3    9   28 o    5.530000      0.2771000       5.388000 0.3649000       5.671000      0.4171000     -0.2826000      0.5542000
  1 1 1       3    9   29 o    2.758000      0.5830000       1.932000 0.7677000       3.584000      0.8775000      -1.652000       1.166000
  1 1 1       3    9   30 o    4.025000      0.3982000       4.199000 0.4927000       3.851000      0.6257000      0.3482000      0.7964000
  1 1 1       3    9   31 o    7.085000      0.2687000       6.967000 0.3604000       7.203000      0.3986000     -0.2358000      0.5374000
  1 1 1       3    9   32 o    2.829000      0.6815000       2.489000 0.9102000       3.170000       1.015000     -0.6807000       1.363000
  1 1 1       3    9   33 o    5.224000      0.5402000       4.933000 0.7698000       5.515000      0.7582000     -0.5820000       1.080000
  1 1 1       3    9   34 o    7.453000      0.2918000       7.707000 0.3709000       7.200000      0.4506000      0.5067000      0.5837000
  1 1 1       3    9   35 o    1.916000      0.5063000       2.538000 0.7942000       1.295000      0.6282000       1.243000       1.013000
  1 1 1       3    9   36 o    2.745000      0.5637000       3.018000 0.7397000       2.473000      0.8507000      0.5451000       1.127000
  1 1 1       3    9   37 o    5.735000      0.3438000       6.059000 0.4561000       5.412000      0.5145000      0.6473000      0.6875000
  1 1 1       3   10    0 o    19.20000      0.2655000       19.10000 0.3717000       19.31000      0.3791000     -0.2013000      0.5310000
  1 1 1       3   10    1 o    6.532000      0.1574000       6.458000 0.2154000       6.606000      0.2295000     -0.1482000      0.3148000
  1 1 1       3   10    2 o    2.758000      0.2902000       3.138000 0.3870000       2.379000      0.4326000      0.7588000      0.5804000
  1 1 1       3   10    3 o    21.57000      0.3316000       21.20000 0.4425000       21.94000      0.4940000     -0.7310000      0.6633000
  1 1 1       3   10    4 o    8.563000      0.2781000       8.761000 0.3987000       8.364000      0.3879000      0.3967000      0.5563000
  1 1 1       3   10    5 o    19.78000      0.4554000       19.27000 0.7937000       20.30000      0.4469000      -1.028000      0.9109000
  1 1 1       3   10    6 o    11.28000      0.2959000       11.16000 0.3677000       11.41000      0.4637000     -0.2535000      0.5918000
  1 1 1       3   10    7 o    6.909000      0.2309000       7.401000 0.2937000       6.417000      0.3563000      0.9843000      0.4617000
  1 1 1       3   10    8 o    27.92000      0.5372000       27.52000 0.7464000       28.31000      0.7728000     -0.7909000       1.074000
  1 1 1       3   10    9 o    13.46000      0.2763000       13.63000 0.3930000       13.30000      0.3884000      0.3304000      0.5525000
  1 1 1       3   10   10 o    7.120000      0.1754000       7.446000 0.2827000       6.795000      0.2076000      0.6511000      0.3507000
  1 1 1       3   10   11 o    8.615000      0.1568000       8.796000 0.2287000       8.433000      0.2145000      0.3629000      0.3135000
  1 1 1       3   10   12 o    10.48000      0.1693000       10.62000 0.2430000       10.34000      0.2358000      0.2789000      0.3386000
  1 1 1       3   10   13 o    4.227000      0.1786000       4.146000 0.2607000       4.307000      0.2441000     -0.1612000      0.3571000
  1 1 1       3   10   14 o    9.180000      0.1650000       9.456000 0.2385000       8.905000      0.2281000      0.5505000      0.3300000
  1 1 1       3   10   15 f    4.944000      0.1715000       4.819000 0.2545000       5.069000      0.2298000     -0.2500000      0.3429000
  1 1 1       3   10   16 o    9.857000      0.1746000       9.637000 0.2475000       10.08000      0.2462000     -0.4404000      0.3491000
  1 1 1       3   10   17 o    3.929000      0.2167000       3.966000 0.3062000       3.893000      0.3068000      0.7330000E-01  0.4334000
  1 1 1       3   10   18 o    1.745000      0.3852000       1.535000 0.5564000       1.955000      0.5329000     -0.4199000      0.7704000
  1 1 1       3   10   19 o    9.467000      0.1833000       9.388000 0.2605000       9.545000      0.2580000     -0.1575000      0.3666000
  1 1 1       3   10   20 o    8.319000      0.1842000       8.323000 0.2638000       8.316000      0.2572000      0.6547000E-02  0.3684000
  1 1 1       3   10   21 o    7.050000      0.1925000       6.722000 0.2779000       7.379000      0.2664000     -0.6565000      0.3849000
  1 1 1       3   10   22 o    12.34000      0.2131000       12.38000 0.3047000       12.31000      0.2979000      0.6729000E-01  0.4261000
  1 1 1       3   10   23 o    7.839000      0.2022000       7.591000 0.2858000       8.088000      0.2862000     -0.4961000      0.4045000
  1 1 1       3   10   24 o    7.281000      0.2165000       7.204000 0.3054000       7.358000      0.3069000     -0.1537000      0.4330000
  1 1 1       3   10   25 o    10.97000      0.2172000       11.00000 0.3101000       10.94000      0.3042000      0.6412000E-01  0.4345000
  1 1 1       3   10   26 o    2.929000      0.4375000       2.747000 0.6234000       3.112000      0.6141000     -0.3651000      0.8751000
  1 1 1       3   10   27 o    10.82000      0.3019000       10.47000 0.4039000       11.17000      0.4487000     -0.7009000      0.6037000
  1 1 1       3   10   28 f    1.432000      0.4723000       1.404000 0.6499000       1.460000      0.6855000     -0.5574000E-01  0.9446000
  1 1 1       3   10   29 o    4.541000      0.3273000       4.729000 0.4196000       4.352000      0.5025000      0.3772000      0.6546000
  1 1 1       3   10   30 o    6.089000      0.2843000       6.295000 0.3648000       5.883000      0.4361000      0.4124000      0.5686000
  1 1 1       3   10   31 o    8.672000      0.3725000       8.845000 0.5045000       8.499000      0.5483000      0.3463000      0.7451000
  1 1 1       3   10   32 o    1.634000      0.5030000       1.797000 0.7347000       1.472000      0.6874000      0.3249000       1.006000
  1 1 1       3   10   33 o    4.994000      0.3829000       5.248000 0.4531000       4.739000      0.6175000      0.5094000      0.7659000
  1 1 1       3   10   34 o    8.161000      0.2723000       8.294000 0.3540000       8.028000      0.4138000      0.2658000      0.5445000
  1 1 1       3   10   35 o    2.729000      0.5799000       2.713000 0.7678000       2.746000      0.8692000     -0.3281000E-01   1.160000
  1 1 1       3   10   36 o    3.859000      0.4713000       3.940000 0.6138000       3.778000      0.7153000      0.1624000      0.9425000
  1 1 1       3   11    1 o    13.92000      0.3485000       13.99000 0.4208000       13.86000      0.5558000      0.1340000      0.6971000
  1 1 1       3   11    2 o    11.85000      0.5291000       12.79000 0.4576000       10.90000      0.9542000       1.890000       1.058000
  1 1 1       3   11    3 f    4.936000      0.9325000       5.391000 0.6388000       4.481000       1.752000      0.9102000       1.865000
  1 1 1       3   11    4 o    8.590000      0.5572000       7.875000 0.4903000       9.305000       1.001000      -1.431000       1.114000
  1 1 1       3   11    5 o    7.746000      0.3321000       8.425000 0.4441000       7.067000      0.4940000       1.358000      0.6643000
  1 1 1       3   11    6 o    22.96000      0.3520000       22.94000 0.5232000       22.99000      0.4711000     -0.4727000E-01  0.7041000
  1 1 1       3   11    7 o    2.470000      0.4454000       3.067000 0.5334000       1.874000      0.7134000       1.193000      0.8908000
  1 1 1       3   11    8 o    10.60000      0.2029000       10.70000 0.3004000       10.49000      0.2730000      0.2056000      0.4059000
  1 1 1       3   11    9 o    11.31000      0.1939000       11.32000 0.2854000       11.31000      0.2627000      0.1618000E-01  0.3878000
  1 1 1       3   11   10 o    5.789000      0.1706000       5.763000 0.2514000       5.815000      0.2305000     -0.5124000E-01  0.3411000
  1 1 1       3   11   11 o    10.53000      0.1756000       10.28000 0.2509000       10.78000      0.2458000     -0.5028000      0.3512000
  1 1 1       3   11   12 o    12.60000      0.1946000       12.51000 0.2764000       12.68000      0.2739000     -0.1630000      0.3891000
  1 1 1       3   11   13 o    5.759000      0.1593000       5.794000 0.2311000       5.723000      0.2192000      0.7022000E-01  0.3185000
  1 1 1       3   11   14 o    2.606000      0.3052000       2.565000 0.4119000       2.646000      0.4505000     -0.8093000E-01  0.6104000
  1 1 1       3   11   15 o    5.021000      0.1798000       4.927000 0.2589000       5.116000      0.2496000     -0.1893000      0.3596000
  1 1 1       3   11   16 f    10.04000      0.1737000       9.728000 0.2399000       10.36000      0.2514000     -0.6334000      0.3475000
  1 1 1       3   11   17 o    6.924000      0.1700000       6.746000 0.2446000       7.103000      0.2362000     -0.3562000      0.3400000
  1 1 1       3   11   18 o    3.569000      0.2435000       3.625000 0.3448000       3.514000      0.3439000      0.1111000      0.4870000
  1 1 1       3   11   19 o    10.03000      0.1853000       9.720000 0.2611000       10.33000      0.2630000     -0.6111000      0.3706000
  1 1 1       3   11   20 o    1.626000      0.4160000       1.681000 0.5923000       1.572000      0.5842000      0.1097000      0.8319000
  1 1 1       3   11   21 o    7.047000      0.1954000       7.232000 0.2784000       6.861000      0.2743000      0.3712000      0.3908000
  1 1 1       3   11   22 o    11.02000      0.2039000       10.94000 0.2905000       11.11000      0.2863000     -0.1725000      0.4079000
  1 1 1       3   11   23 o    2.315000      0.4359000       1.916000 0.6505000       2.713000      0.5804000     -0.7972000      0.8718000
  1 1 1       3   11   24 o    10.40000      0.2102000       10.65000 0.3023000       10.16000      0.2922000      0.4946000      0.4204000
  1 1 1       3   11   25 o    7.450000      0.2650000       7.235000 0.3159000       7.665000      0.4255000     -0.4300000      0.5299000
  1 1 1       3   11   26 o    5.571000      0.3329000       5.207000 0.4664000       5.936000      0.4751000     -0.7289000      0.6658000
  1 1 1       3   11   27 o    7.329000      0.2413000       7.093000 0.3478000       7.564000      0.3344000     -0.4709000      0.4825000
  1 1 1       3   11   28 o    5.260000      0.2999000       5.254000 0.4102000       5.266000      0.4376000     -0.1137000E-01  0.5998000
  1 1 1       3   11   29 o    3.605000      0.7223000       3.820000 1.121000       3.390000      0.9111000      0.4299000       1.445000
  1 1 1       3   11   30 o    8.148000      0.3768000       8.210000 0.5134000       8.086000      0.5518000      0.1246000      0.7537000
  1 1 1       3   11   31 o    6.272000      0.3039000       6.624000 0.3786000       5.920000      0.4755000      0.7035000      0.6078000
  1 1 1       3   11   32 o    1.927000      0.5408000       1.524000 0.6749000       2.330000      0.8453000     -0.8064000       1.082000
  1 1 1       3   11   33 o    6.904000      0.2950000       6.981000 0.3723000       6.827000      0.4578000      0.1544000      0.5901000
  1 1 1       3   11   34 o    5.152000      0.3630000       5.112000 0.4777000       5.192000      0.5467000     -0.8013000E-01  0.7260000
  1 1 1       3   11   35 o    2.004000      0.4900000       2.761000 0.7632000       1.248000      0.6146000       1.514000      0.9799000
  1 1 1       3   11   36 o    1.539000      0.4935000       1.622000 0.7129000       1.455000      0.6826000      0.1673000      0.9870000
  1 1 1       3   12    0 o    12.34000      0.1966000       12.45000 0.2678000       12.24000      0.2880000      0.2106000      0.3933000
  1 1 1       3   12    1 o    6.811000      0.1867000       6.406000 0.2568000       7.216000      0.2711000     -0.8104000      0.3734000
  1 1 1       3   12    2 o    20.71000      0.3267000       20.98000 0.4373000       20.43000      0.4855000      0.5495000      0.6534000
  1 1 1       3   12    3 o    6.539000      0.3010000       6.563000 0.4631000       6.514000      0.3845000      0.4899000E-01  0.6019000
  1 1 1       3   12    4 o    11.55000      0.2989000       11.33000 0.4216000       11.77000      0.4238000     -0.4427000      0.5978000
  1 1 1       3   12    5 f    10.26000      0.3164000       10.24000 0.4454000       10.28000      0.4495000     -0.4271000E-01  0.6329000
  1 1 1       3   12    6 o    21.90000      0.3517000       22.69000 0.5342000       21.11000      0.4576000       1.577000      0.7034000
  1 1 1       3   12    7 o    3.144000      0.4729000       2.978000 0.6195000       3.309000      0.7147000     -0.3310000      0.9458000
  1 1 1       3   12    8 f    9.012000      0.2071000       8.759000 0.2953000       9.265000      0.2904000     -0.5053000      0.4141000
  1 1 1       3   12    9 o    5.695000      0.2083000       5.855000 0.2921000       5.535000      0.2971000      0.3195000      0.4166000
  1 1 1       3   12   10 o    9.820000      0.1918000       9.837000 0.2866000       9.804000      0.2550000      0.3312000E-01  0.3836000
  1 1 1       3   12   11 o    11.88000      0.2280000       12.24000 0.3710000       11.53000      0.2651000      0.7123000      0.4560000
  1 1 1       3   12   12 o    11.37000      0.1878000       11.28000 0.2689000       11.46000      0.2622000     -0.1867000      0.3756000
  1 1 1       3   12   13 o    13.41000      0.2067000       13.29000 0.2923000       13.52000      0.2922000     -0.2292000      0.4133000
  1 1 1       3   12   14 o    3.210000      0.3466000       3.210000 0.3466000                  ?              ?              ?              ?
  1 1 1       3   12   15 o    5.928000      0.1736000       6.069000 0.2519000       5.787000      0.2390000      0.2815000      0.3472000
  1 1 1       3   12   16 o    5.325000      0.2593000                  ?       ?   5.325000      0.2593000                  ?              ?
  1 1 1       3   12   17 o    3.805000      0.2295000       3.595000 0.3473000       4.014000      0.3003000     -0.4191000      0.4591000
  1 1 1       3   12   18 o    3.971000      0.2333000       3.900000 0.3397000       4.042000      0.3199000     -0.1419000      0.4666000
  1 1 1       3   12   19 o    8.288000      0.1828000       8.172000 0.2589000       8.404000      0.2580000     -0.2315000      0.3655000
  1 1 1       3   12   20 o    5.131000      0.2225000       5.196000 0.3169000       5.066000      0.3125000      0.1299000      0.4450000
  1 1 1       3   12   21 o    5.349000      0.2180000       5.069000 0.3163000       5.629000      0.3000000     -0.5598000      0.4359000
  1 1 1       3   12   22 o    7.218000      0.2022000       7.056000 0.2894000       7.380000      0.2825000     -0.3242000      0.4044000
  1 1 1       3   12   23 o    9.686000      0.2065000       9.699000 0.2958000       9.674000      0.2881000      0.2489000E-01  0.4130000
  1 1 1       3   12   24 o    7.239000      0.2717000       7.157000 0.3756000       7.321000      0.3927000     -0.1642000      0.5434000
  1 1 1       3   12   25 o    6.947000      0.2862000       6.877000 0.3853000       7.016000      0.4233000     -0.1396000      0.5724000
  1 1 1       3   12   26 o    4.344000      0.3323000       3.868000 0.5267000       4.820000      0.4054000     -0.9524000      0.6647000
  1 1 1       3   12   27 o    6.741000      0.2512000       6.226000 0.3689000       7.256000      0.3411000      -1.030000      0.5025000
  1 1 1       3   12   28 o    6.155000      0.4895000       6.328000 0.7750000       5.981000      0.5981000      0.3475000      0.9789000
  1 1 1       3   12   29 o    2.724000      0.5271000       2.824000 0.7331000       2.625000      0.7575000      0.1989000       1.054000
  1 1 1       3   12   30 o    5.326000      0.3374000       5.111000 0.4878000       5.542000      0.4664000     -0.4313000      0.6749000
  1 1 1       3   12   31 o    2.644000      0.5723000       2.306000 0.8350000       2.982000      0.7827000     -0.6761000       1.145000
  1 1 1       3   12   32 o    5.297000      0.3432000       5.243000 0.4423000       5.352000      0.5248000     -0.1088000      0.6863000
  1 1 1       3   12   33 o    2.368000      0.5585000       2.679000 0.7492000       2.057000      0.8285000      0.6220000       1.117000
  1 1 1       3   12   34 o    2.338000      0.5725000       1.908000 0.7650000       2.768000      0.8520000     -0.8603000       1.145000
  1 1 1       3   12   35 o    2.388000      0.5728000       1.792000 0.7558000       2.984000      0.8609000      -1.192000       1.146000
  1 1 1       3   12   36 o    3.985000      0.4890000       4.404000 0.6056000       3.565000      0.7679000      0.8394000      0.9779000
  1 1 1       3   13    0 o    9.026000      0.1847000       9.226000 0.2491000       8.827000      0.2729000      0.3995000      0.3695000
  1 1 1       3   13    1 o    21.35000      0.3654000       21.00000 0.4217000       21.70000      0.5968000     -0.7035000      0.7308000
  1 1 1       3   13    2 o    11.02000      0.2518000       10.91000 0.3588000       11.13000      0.3534000     -0.2289000      0.5037000
  1 1 1       3   13    3 o    9.738000      0.2786000       9.780000 0.4089000       9.695000      0.3785000      0.8572000E-01  0.5572000
  1 1 1       3   13    4 o    20.50000      0.4924000       20.59000 0.5026000       20.41000      0.8470000      0.1858000      0.9849000
  1 1 1       3   13    5 o    9.504000      0.3370000       9.871000 0.4569000       9.137000      0.4954000      0.7334000      0.6739000
  1 1 1       3   13    6 o    5.596000      0.3583000       6.226000 0.4020000       4.965000      0.5932000       1.261000      0.7166000
  1 1 1       3   13    7 o    3.590000      0.4890000       4.372000 0.4900000       2.807000      0.8464000       1.565000      0.9780000
  1 1 1       3   13    8 o    2.284000      0.4508000       2.315000 0.6096000       2.253000      0.6643000      0.6233000E-01  0.9016000
  1 1 1       3   13    9 o    9.407000      0.2124000       9.395000 0.3078000       9.418000      0.2928000     -0.2375000E-01  0.4248000
  1 1 1       3   13   10 o    10.90000      0.2071000       10.98000 0.3088000       10.83000      0.2759000      0.1433000      0.4141000
  1 1 1       3   13   11 o    2.548000      0.3602000       2.626000 0.5156000       2.470000      0.5031000      0.1558000      0.7203000
  1 1 1       3   13   12 o    10.23000      0.1853000       10.08000 0.2691000       10.37000      0.2549000     -0.2856000      0.3707000
  1 1 1       3   13   13 o    1.210000      0.3578000       1.549000 0.5800000      0.8716000      0.4190000      0.6777000      0.7155000
  1 1 1       3   13   14 o    9.236000      0.2608000       9.236000 0.2608000                  ?              ?              ?              ?
  1 1 1       3   13   15 o    7.470000      0.1734000       7.302000 0.2514000       7.638000      0.2389000     -0.3362000      0.3468000
  1 1 1       3   13   16 o    5.020000      0.2704000                  ?       ?   5.020000      0.2704000                  ?              ?
  1 1 1       3   13   17 o    2.616000      0.3535000       2.782000 0.4929000       2.450000      0.5069000      0.3323000      0.7071000
  1 1 1       3   13   18 o    9.744000      0.1893000       9.973000 0.2719000       9.515000      0.2635000      0.4576000      0.3786000
  1 1 1       3   13   19 o    1.931000      0.4043000       1.516000 0.5833000       2.346000      0.5601000     -0.8293000      0.8087000
  1 1 1       3   13   20 o    7.487000      0.1946000       7.440000 0.2772000       7.534000      0.2733000     -0.9440000E-01  0.3893000
  1 1 1       3   13   21 o    5.438000      0.2594000       5.552000 0.3091000       5.324000      0.4167000      0.2281000      0.5189000
  1 1 1       3   13   22 o    6.090000      0.2777000       6.468000 0.3730000       5.713000      0.4115000      0.7545000      0.5554000
  1 1 1       3   13   23 o    9.154000      0.2672000       9.361000 0.3679000       8.947000      0.3876000      0.4143000      0.5344000
  1 1 1       3   13   24 o    6.318000      0.2371000       5.855000 0.3574000       6.780000      0.3117000     -0.9248000      0.4742000
  1 1 1       3   13   25 o    8.062000      0.2279000       7.863000 0.3275000       8.261000      0.3170000     -0.3977000      0.4558000
  1 1 1       3   13   26 o    8.646000      0.3791000       8.551000 0.5863000       8.741000      0.4808000     -0.1904000      0.7583000
  1 1 1       3   13   27 o    3.795000      0.6757000       3.521000 1.077000       4.069000      0.8164000     -0.5477000       1.351000
  1 1 1       3   13   28 o    8.179000      0.2479000       7.928000 0.3573000       8.429000      0.3438000     -0.5016000      0.4959000
  1 1 1       3   13   29 o    8.089000      0.2526000       8.052000 0.3605000       8.126000      0.3540000     -0.7376000E-01  0.5053000
  1 1 1       3   13   30 o    3.522000      0.4958000       4.212000 0.5840000       2.833000      0.8014000       1.379000      0.9916000
  1 1 1       3   13   31 o    2.691000      0.5711000       2.890000 0.8011000       2.492000      0.8143000      0.3988000       1.142000
  1 1 1       3   13   32 o    2.197000      0.5781000       2.410000 0.8278000       1.985000      0.8071000      0.4251000       1.156000
  1 1 1       3   13   33 o    4.028000      0.4642000       4.533000 0.5166000       3.524000      0.7714000       1.009000      0.9284000
  1 1 1       3   13   34 f    1.746000      0.5371000       1.705000 0.7400000       1.788000      0.7788000     -0.8259000E-01   1.074000
  1 1 1       3   13   35 o    1.613000      0.5044000       1.924000 0.7840000       1.302000      0.6349000      0.6216000       1.009000
  1 1 1       3   14    0 o    17.66000      0.3122000       17.01000 0.3572000       18.30000      0.5122000      -1.290000      0.6245000
  1 1 1       3   14    1 o    11.41000      0.2398000       11.14000 0.3106000       11.68000      0.3653000     -0.5441000      0.4795000
  1 1 1       3   14    2 o    7.402000      0.2943000       7.503000 0.4530000       7.302000      0.3758000      0.2007000      0.5886000
  1 1 1       3   14    3 o    11.43000      0.2971000       10.96000 0.4320000       11.90000      0.4080000     -0.9437000      0.5942000
  1 1 1       3   14    4 o    5.445000      0.8881000       6.654000 0.6190000       4.235000       1.665000       2.419000       1.776000
  1 1 1       3   14    5 o    8.722000      0.3863000       8.663000 0.5141000       8.781000      0.5766000     -0.1185000      0.7725000
  1 1 1       3   14    6 o    3.505000      0.5483000       4.493000 0.5740000       2.517000      0.9344000       1.976000       1.097000
  1 1 1       3   14    7 o    3.690000      0.5599000       3.688000 0.6934000       3.693000      0.8793000     -0.4746000E-02   1.120000
  1 1 1       3   14    8 o    4.446000      0.3144000       4.796000 0.3858000       4.096000      0.4966000      0.7003000      0.6289000
  1 1 1       3   14    9 o    8.991000      0.2371000       8.606000 0.3364000       9.376000      0.3344000     -0.7701000      0.4743000
  1 1 1       3   14   10 o    4.661000      0.2482000       4.317000 0.3736000       5.005000      0.3267000     -0.6872000      0.4964000
  1 1 1       3   14   11 o    1.106000      0.3581000       1.218000 0.5411000      0.9934000      0.4692000      0.2251000      0.7161000
  1 1 1       3   14   12 o    7.970000      0.1921000       7.756000 0.2806000       8.184000      0.2624000     -0.4277000      0.3842000
  1 1 1       3   14   13 o    4.010000      0.2417000       4.283000 0.3351000       3.737000      0.3483000      0.5456000      0.4834000
  1 1 1       3   14   14 o    5.002000      0.2137000       5.194000 0.3040000       4.810000      0.3005000      0.3842000      0.4274000
  1 1 1       3   14   15 o    1.254000      0.3854000       1.357000 0.5770000       1.152000      0.5111000      0.2047000      0.7708000
  1 1 1       3   14   16 o    2.364000      0.3962000       2.265000 0.5964000       2.462000      0.5216000     -0.1975000      0.7923000
  1 1 1       3   14   17 o    8.469000      0.1843000       8.360000 0.2666000       8.578000      0.2546000     -0.2181000      0.3686000
  1 1 1       3   14   18 o    11.24000      0.2007000       11.23000 0.2893000       11.24000      0.2783000     -0.4580000E-02  0.4014000
  1 1 1       3   14   19 o    4.083000      0.3772000       4.163000 0.5180000       4.004000      0.5484000      0.1594000      0.7544000
  1 1 1       3   14   20 o    7.040000      0.2645000       7.055000 0.3638000       7.024000      0.3841000      0.3091000E-01  0.5291000
  1 1 1       3   14   21 o    10.63000      0.2042000       10.53000 0.2875000       10.72000      0.2900000     -0.1859000      0.4083000
  1 1 1       3   14   22 o    11.82000      0.2151000       11.86000 0.3081000       11.77000      0.3002000      0.8886000E-01  0.4301000
  1 1 1       3   14   23 o    4.900000      0.2621000       4.981000 0.3736000       4.820000      0.3677000      0.1611000      0.5242000
  1 1 1       3   14   24 f    5.137000      0.4560000       5.720000 0.6725000       4.553000      0.6160000       1.167000      0.9120000
  1 1 1       3   14   25 o    10.34000      0.3503000       10.17000 0.5281000       10.50000      0.4602000     -0.3225000      0.7005000
  1 1 1       3   14   26 o    5.311000      0.2910000       5.811000 0.3786000       4.811000      0.4421000       1.000000      0.5821000
  1 1 1       3   14   27 o    3.687000      0.4003000       3.528000 0.5876000       3.846000      0.5438000     -0.3181000      0.8006000
  1 1 1       3   14   28 o    9.472000      0.2348000       9.329000 0.3331000       9.614000      0.3310000     -0.2851000      0.4696000
  1 1 1       3   14   29 o    5.216000      0.3265000       4.821000 0.4806000       5.612000      0.4422000     -0.7904000      0.6531000
  1 1 1       3   14   30 o    4.454000      0.4100000       4.218000 0.5968000       4.690000      0.5624000     -0.4719000      0.8200000
  1 1 1       3   14   31 o    4.095000      0.4789000       4.801000 0.5525000       3.390000      0.7823000       1.411000      0.9578000
  1 1 1       3   14   32 o    2.274000      0.5833000       2.610000 0.8381000       1.938000      0.8114000      0.6726000       1.167000
  1 1 1       3   14   33 o    3.011000      0.5815000       3.020000 0.8151000       3.002000      0.8296000      0.1776000E-01   1.163000
  1 1 1       3   14   34 o    2.585000      0.5738000       3.096000 0.8030000       2.074000      0.8199000       1.022000       1.148000
  1 1 1       3   14   35 o    2.765000      0.6028000       2.556000 0.8374000       2.974000      0.8673000     -0.4174000       1.206000
  1 1 1       3   15    0 o    7.469000      0.2844000       7.182000 0.4845000       7.757000      0.2981000     -0.5757000      0.5689000
  1 1 1       3   15    1 o    11.93000      0.2442000       12.05000 0.3343000       11.80000      0.3561000      0.2460000      0.4884000
  1 1 1       3   15    2 o    1.849000      0.5724000       2.079000 0.8947000       1.619000      0.7143000      0.4599000       1.145000
  1 1 1       3   15    3 o    2.973000      0.7407000       3.004000 1.215000       2.942000      0.8477000      0.6191000E-01   1.481000
  1 1 1       3   15    4 o    10.26000      0.7075000       11.27000 0.4700000       9.250000       1.335000       2.020000       1.415000
  1 1 1       3   15    5 o    5.734000      0.5732000       4.301000 0.9265000       7.166000      0.6752000      -2.865000       1.146000
  1 1 1       3   15    6 o    4.101000      0.5734000       4.378000 0.6535000       3.824000      0.9424000      0.5540000       1.147000
  1 1 1       3   15    7 o    2.757000      0.6192000       3.067000 0.7984000       2.447000      0.9466000      0.6206000       1.238000
  1 1 1       3   15    8 o    11.51000      0.2590000       11.26000 0.3756000       11.76000      0.3569000     -0.5046000      0.5181000
  1 1 1       3   15    9 o    13.94000      0.2739000       13.81000 0.3988000       14.06000      0.3756000     -0.2493000      0.5478000
  1 1 1       3   15   10 o    12.70000      0.2616000       13.10000 0.4121000       12.29000      0.3224000      0.8022000      0.5232000
  1 1 1       3   15   11 o    6.798000      0.2165000       6.615000 0.3232000       6.981000      0.2882000     -0.3663000      0.4330000
  1 1 1       3   15   12 o    11.91000      0.2231000       11.93000 0.3296000       11.89000      0.3008000      0.3352000E-01  0.4462000
  1 1 1       3   15   13 o    4.463000      0.2592000       3.977000 0.4099000       4.950000      0.3173000     -0.9723000      0.5183000
  1 1 1       3   15   14 o    2.815000      0.3625000       3.128000 0.5020000       2.501000      0.5230000      0.6268000      0.7249000
  1 1 1       3   15   15 o    4.197000      0.2683000       4.193000 0.3881000       4.201000      0.3707000     -0.8402000E-02  0.5367000
  1 1 1       3   15   16 o    5.747000      0.3384000       6.070000 0.4842000       5.425000      0.4729000      0.6454000      0.6768000
  1 1 1       3   15   17 o    2.493000      0.5301000       2.534000 0.7588000       2.452000      0.7404000      0.8183000E-01   1.060000
  1 1 1       3   15   18 o    12.45000      0.2939000       12.57000 0.4217000       12.32000      0.4096000      0.2526000      0.5879000
  1 1 1       3   15   19 o    2.816000      0.3916000       3.143000 0.5281000       2.489000      0.5782000      0.6540000      0.7831000
  1 1 1       3   15   20 f    4.018000      0.2946000       4.376000 0.4155000       3.660000      0.4176000      0.7162000      0.5891000
  1 1 1       3   15   21 o    12.35000      0.3291000       12.73000 0.4871000       11.98000      0.4428000      0.7511000      0.6583000
  1 1 1       3   15   22 o    10.18000      0.3323000       10.03000 0.5063000       10.33000      0.4305000     -0.3031000      0.6646000
  1 1 1       3   15   23 o    10.24000      0.2138000       10.46000 0.3088000       10.01000      0.2958000      0.4463000      0.4276000
  1 1 1       3   15   24 o    4.436000      0.3195000       4.456000 0.4616000       4.416000      0.4418000      0.3998000E-01  0.6390000
  1 1 1       3   15   25 o    3.064000      0.4559000       3.404000 0.6088000       2.724000      0.6789000      0.6804000      0.9119000
  1 1 1       3   15   26 o    4.241000      0.3599000       4.179000 0.5263000       4.303000      0.4911000     -0.1242000      0.7198000
  1 1 1       3   15   27 o    6.806000      0.2692000       6.546000 0.3870000       7.065000      0.3744000     -0.5189000      0.5385000
  1 1 1       3   15   28 o    4.462000      0.3563000       4.488000 0.5052000       4.437000      0.5026000      0.5063000E-01  0.7126000
  1 1 1       3   15   29 o    2.248000      0.5616000       2.329000 0.7983000       2.167000      0.7902000      0.1612000       1.123000
  1 1 1       3   15   30 o    3.363000      0.5173000       2.958000 0.7794000       3.767000      0.6805000     -0.8095000       1.035000
  1 1 1       3   15   31 o    2.304000      0.5416000       1.616000 0.7219000       2.991000      0.8077000      -1.375000       1.083000
  1 1 1       3   15   32 o    3.963000      0.4869000       3.860000 0.7193000       4.066000      0.6563000     -0.2064000      0.9737000
  1 1 1       3   15   33 o    2.445000      0.5767000       2.981000 0.8410000       1.909000      0.7893000       1.072000       1.153000
  1 1 1       3   15   34 o    2.627000      0.6073000       2.498000 0.8604000       2.757000      0.8572000     -0.2596000       1.215000
  1 1 1       3   16    0 o    4.199000      0.3040000       4.695000 0.4217000       3.703000      0.4379000      0.9924000      0.6080000
  1 1 1       3   16    1 o    4.192000      0.3330000       4.044000 0.5084000       4.340000      0.4303000     -0.2962000      0.6661000
  1 1 1       3   16    2 o    5.136000      0.4574000       5.053000 0.7523000       5.218000      0.5205000     -0.1659000      0.9148000
  1 1 1       3   16    3 o    2.561000      0.6660000       2.513000 1.004000       2.610000      0.8748000     -0.9691000E-01   1.332000
  1 1 1       3   16    4 o    4.863000      0.5990000       5.602000 0.8243000       4.124000      0.8694000       1.478000       1.198000
  1 1 1       3   16    5 o    3.804000      0.7581000       3.153000 1.066000       4.455000       1.078000      -1.303000       1.516000
  1 1 1       3   16    6 o    3.611000      0.6472000       3.085000 0.8808000       4.137000      0.9486000      -1.051000       1.294000
  1 1 1       3   16    7 o    3.504000      0.7138000       3.691000 0.7997000       3.318000       1.183000      0.3722000       1.428000
  1 1 1       3   16    8 o    5.541000      0.3486000       5.469000 0.4527000       5.613000      0.5301000     -0.1445000      0.6971000
  1 1 1       3   16    9 o    8.232000      0.2642000       8.244000 0.3657000       8.220000      0.3813000      0.2330000E-01  0.5283000
  1 1 1       3   16   10 o    10.97000      0.2539000       10.63000 0.3669000       11.31000      0.3512000     -0.6815000      0.5078000
  1 1 1       3   16   11 o    6.501000      0.2333000       6.491000 0.3380000       6.511000      0.3216000     -0.2065000E-01  0.4666000
  1 1 1       3   16   12 o    8.524000      0.3257000       8.723000 0.3296000       8.325000      0.5619000      0.3978000      0.6514000
  1 1 1       3   16   13 o    5.488000      0.6586000       5.047000 1.128000       5.929000      0.6802000     -0.8819000       1.317000
  1 1 1       3   16   14 o    4.335000      0.5137000       4.654000 0.7659000       4.016000      0.6847000      0.6380000       1.027000
  1 1 1       3   16   15 o    4.244000      0.7478000       4.244000 0.7478000                  ?              ?              ?              ?
  1 1 1       3   16   16 o    6.764000      0.2159000       6.684000 0.3242000       6.843000      0.2852000     -0.1596000      0.4318000
  1 1 1       3   16   17 o    2.286000      0.6319000                  ?       ?   2.286000      0.6319000                  ?              ?
  1 1 1       3   16   18 o    3.794000      0.2892000       3.955000 0.3999000       3.633000      0.4178000      0.3224000      0.5783000
  1 1 1       3   16   19 o    9.951000      0.3013000       10.42000 0.4511000       9.486000      0.3996000      0.9298000      0.6026000
  1 1 1       3   16   20 o    8.367000      0.3154000       8.061000 0.4807000       8.673000      0.4086000     -0.6122000      0.6309000
  1 1 1       3   16   21 o    6.153000      0.2428000       6.127000 0.3607000       6.180000      0.3251000     -0.5278000E-01  0.4856000
  1 1 1       3   16   22 o    4.354000      0.3247000       4.161000 0.5054000       4.546000      0.4080000     -0.3854000      0.6495000
  1 1 1       3   16   23 o    10.84000      0.2217000       10.64000 0.3178000       11.03000      0.3091000     -0.3916000      0.4434000
  1 1 1       3   16   24 o    7.136000      0.2428000       6.930000 0.3556000       7.341000      0.3308000     -0.4111000      0.4857000
  1 1 1       3   16   25 o    4.492000      0.3347000       4.316000 0.5026000       4.669000      0.4422000     -0.3526000      0.6694000
  1 1 1       3   16   26 f    6.406000      0.2720000       6.457000 0.3865000       6.355000      0.3826000      0.1025000      0.5439000
  1 1 1       3   16   27 o    4.308000      0.3652000       4.410000 0.5143000       4.207000      0.5185000      0.2030000      0.7303000
  1 1 1       3   16   28 o    4.618000      0.3866000       5.328000 0.4629000       3.908000      0.6194000       1.420000      0.7733000
  1 1 1       3   16   29 o    3.593000      0.5073000       3.567000 0.7217000       3.619000      0.7132000     -0.5219000E-01   1.015000
  1 1 1       3   16   30 o    3.020000      0.5157000       4.071000 0.6706000       1.969000      0.7838000       2.101000       1.031000
  1 1 1       3   16   31 o    1.747000      0.5362000       1.792000 0.7645000       1.703000      0.7520000      0.8877000E-01   1.072000
  1 1 1       3   16   32 o    2.247000      0.5644000       2.808000 0.8488000       1.685000      0.7442000       1.122000       1.129000
  1 1 1       3   16   33 o    2.178000      0.5935000       2.278000 0.8442000       2.079000      0.8345000      0.1990000       1.187000
  1 1 1       3   16   34 o    2.280000      0.5892000       2.677000 0.8587000       1.883000      0.8068000      0.7934000       1.178000
  1 1 1       3   17    0 o    5.656000      0.2655000       5.591000 0.3965000       5.721000      0.3531000     -0.1300000      0.5309000
  1 1 1       3   17    1 o    6.099000      0.2723000       6.464000 0.4127000       5.734000      0.3554000      0.7310000      0.5446000
  1 1 1       3   17    2 o    5.093000      0.4698000       6.163000 0.6450000       4.024000      0.6831000       2.138000      0.9396000
  1 1 1       3   17    3 o    8.503000      0.3518000       8.601000 0.5368000       8.406000      0.4549000      0.1943000      0.7037000
  1 1 1       3   17    4 o    13.05000      0.3723000       13.60000 0.5960000       12.51000      0.4464000       1.094000      0.7446000
  1 1 1       3   17    5 o    6.914000      0.5144000       6.881000 0.7043000       6.946000      0.7499000     -0.6527000E-01   1.029000
  1 1 1       3   17    6 o    4.051000      0.6433000       4.855000 0.6981000       3.246000       1.081000       1.610000       1.287000
  1 1 1       3   17    7 o    3.866000       1.155000       4.594000 1.942000       3.139000       1.252000       1.455000       2.310000
  1 1 1       3   17    8 o    3.853000       1.109000       3.883000 1.743000       3.822000       1.373000      0.6148000E-01   2.219000
  1 1 1       3   17    9 f    5.830000       1.059000       4.381000 1.859000       7.280000       1.014000      -2.899000       2.118000
  1 1 1       3   17   10 o    2.690000      0.9015000       2.908000 1.403000       2.472000       1.133000      0.4357000       1.803000
  1 1 1       3   17   11 o    4.796000      0.9077000       5.382000 1.446000       4.209000       1.098000       1.173000       1.815000
  1 1 1       3   17   12 o    3.996000      0.3238000       4.284000 0.4476000       3.709000      0.4682000      0.5750000      0.6477000
  1 1 1       3   17   13 o    1.730000      0.4775000       1.687000 0.6723000       1.774000      0.6783000     -0.8625000E-01  0.9550000
  1 1 1       3   17   14 o    5.110000      0.2841000       4.392000 0.4570000       5.827000      0.3375000      -1.434000      0.5681000
  1 1 1       3   17   15 o    7.205000      0.4147000       7.205000 0.4147000                  ?              ?              ?              ?
  1 1 1       3   17   16 o    4.220000      0.4078000       4.040000 0.6377000       4.400000      0.5083000     -0.3603000      0.8155000
  1 1 1       3   17   17 o    8.974000      0.3794000                  ?       ?   8.974000      0.3794000                  ?              ?
  1 1 1       3   17   18 o    9.155000      0.2183000       8.931000 0.3219000       9.380000      0.2950000     -0.4488000      0.4367000
  1 1 1       3   17   19 o    16.75000      0.2615000       16.98000 0.3785000       16.51000      0.3610000      0.4713000      0.5230000
  1 1 1       3   17   20 o    9.667000      0.2162000       9.689000 0.3151000       9.645000      0.2962000      0.4396000E-01  0.4325000
  1 1 1       3   17   21 o    6.927000      0.2379000       6.966000 0.3508000       6.887000      0.3216000      0.7969000E-01  0.4759000
  1 1 1       3   17   22 o    1.375000      0.4404000       1.474000 0.6557000       1.276000      0.5880000      0.1987000      0.8807000
  1 1 1       3   17   23 o    10.77000      0.2274000       10.44000 0.3299000       11.10000      0.3132000     -0.6617000      0.4549000
  1 1 1       3   17   24 o    2.173000      0.5279000       1.940000 0.7533000       2.407000      0.7399000     -0.4669000       1.056000
  1 1 1       3   17   25 o    5.112000      0.3141000       5.337000 0.4348000       4.888000      0.4534000      0.4488000      0.6282000
  1 1 1       3   17   26 o    3.712000      0.4348000       3.364000 0.6762000       4.060000      0.5468000     -0.6956000      0.8696000
  1 1 1       3   17   27 o    2.292000      0.5404000       2.626000 0.7679000       1.958000      0.7604000      0.6681000       1.081000
  1 1 1       3   17   28 o    3.212000      0.5350000       2.912000 0.7759000       3.512000      0.7368000     -0.5999000       1.070000
  1 1 1       3   17   29 o    2.581000      0.5378000       3.498000 0.7801000       1.665000      0.7405000       1.834000       1.076000
  1 1 1       3   17   30 o    1.969000      0.5582000       1.773000 0.7672000       2.165000      0.8111000     -0.3912000       1.116000
  1 1 1       3   17   31 o    4.161000      0.4906000       3.990000 0.7223000       4.333000      0.6642000     -0.3425000      0.9812000
  1 1 1       3   17   32 o    5.074000      0.4117000       4.803000 0.6124000       5.344000      0.5504000     -0.5402000      0.8234000
  1 1 1       3   17   33 o    2.171000      0.5951000       2.466000 0.8705000       1.875000      0.8117000      0.5914000       1.190000
  1 1 1       3   18    0 o    2.437000      0.5103000       2.178000 0.7827000       2.696000      0.6550000     -0.5181000       1.021000
  1 1 1       3   18    1 o    7.579000      0.2859000       7.509000 0.4454000       7.649000      0.3586000     -0.1405000      0.5718000
  1 1 1       3   18    2 o    5.464000      0.5474000       6.400000 0.8711000       4.529000      0.6633000       1.870000       1.095000
  1 1 1       3   18    3 o    3.731000      0.8254000       4.387000 1.369000       3.076000      0.9219000       1.311000       1.651000
  1 1 1       3   18    4 o    5.767000      0.8255000       5.018000 1.517000       6.516000      0.6516000      -1.498000       1.651000
  1 1 1       3   18    5 o    3.906000       1.119000       5.530000 1.974000       2.282000       1.054000       3.248000       2.237000
  1 1 1       3   18    6 o    2.771000      0.7200000       2.516000 0.9201000       3.025000       1.108000     -0.5093000       1.440000
  1 1 1       3   18    7 o    2.379000      0.6915000       1.910000 0.8526000       2.848000       1.089000     -0.9379000       1.383000
  1 1 1       3   18    8 o    5.646000      0.4396000       6.520000 0.4915000       4.773000      0.7291000       1.747000      0.8793000
  1 1 1       3   18    9 o    2.460000      0.5609000       2.679000 0.7574000       2.241000      0.8276000      0.4382000       1.122000
  1 1 1       3   18   10 o    4.981000      0.3476000       4.954000 0.4878000       5.007000      0.4954000     -0.5358000E-01  0.6953000
  1 1 1       3   18   11 o    5.290000      0.3198000       5.402000 0.4306000       5.177000      0.4729000      0.2248000      0.6396000
  1 1 1       3   18   12 o    2.545000      0.4766000       2.681000 0.6771000       2.408000      0.6710000      0.2730000      0.9532000
  1 1 1       3   18   13 o    3.289000      0.4303000       3.429000 0.5869000       3.149000      0.6294000      0.2801000      0.8605000
  1 1 1       3   18   14 o    10.13000      0.2598000       10.59000 0.3513000       9.674000      0.3830000      0.9204000      0.5197000
  1 1 1       3   18   15 o    2.889000      0.4596000       2.635000 0.7451000       3.142000      0.5382000     -0.5064000      0.9191000
  1 1 1       3   18   16 o    7.166000      0.2380000       7.286000 0.3592000       7.047000      0.3123000      0.2390000      0.4760000
  1 1 1       3   18   17 o    6.343000      0.2715000       6.152000 0.4340000       6.535000      0.3263000     -0.3834000      0.5430000
  1 1 1       3   18   18 o    7.954000      0.2423000       8.030000 0.3641000       7.879000      0.3199000      0.1507000      0.4847000
  1 1 1       3   18   19 o    14.61000      0.2498000       14.79000 0.3646000       14.43000      0.3416000      0.3634000      0.4996000
  1 1 1       3   18   20 o    3.897000      0.3877000       4.018000 0.5722000       3.776000      0.5233000      0.2420000      0.7754000
  1 1 1       3   18   21 o    8.083000      0.2311000       7.943000 0.3389000       8.224000      0.3142000     -0.2807000      0.4621000
  1 1 1       3   18   22 o    5.429000      0.2911000       5.044000 0.4495000       5.813000      0.3700000     -0.7692000      0.5822000
  1 1 1       3   18   23 o    3.469000      0.4563000       3.474000 0.6718000       3.464000      0.6176000      0.1073000E-01  0.9126000
  1 1 1       3   18   24 o    7.004000      0.2635000       7.447000 0.3748000       6.561000      0.3704000      0.8865000      0.5270000
  1 1 1       3   18   25 o    4.654000      0.3722000       4.518000 0.5606000       4.790000      0.4897000     -0.2719000      0.7443000
  1 1 1       3   18   26 o    2.956000      0.5498000       3.226000 0.7616000       2.686000      0.7931000      0.5406000       1.100000
  1 1 1       3   18   27 o    1.871000      0.5410000       2.084000 0.7980000       1.657000      0.7308000      0.4262000       1.082000
  1 1 1       3   18   28 o    2.149000      0.5682000       1.836000 0.7761000       2.461000      0.8302000     -0.6250000       1.136000
  1 1 1       3   18   29 o    6.287000      0.3342000       6.932000 0.4452000       5.643000      0.4985000       1.289000      0.6684000
  1 1 1       3   18   30 o    4.078000      0.4825000       4.192000 0.6852000       3.963000      0.6794000      0.2285000      0.9649000
  1 1 1       3   18   31 o    2.986000      0.6090000       3.466000 0.8558000       2.505000      0.8666000      0.9612000       1.218000
  1 1 1       3   18   32 o    2.144000      0.5938000       2.466000 0.8939000       1.822000      0.7817000      0.6444000       1.188000
  1 1 1       3   18   33 o    3.389000      0.6540000       2.309000 0.8217000       4.469000       1.018000      -2.160000       1.308000
  1 1 1       3   19    0 o    8.228000      0.2516000       8.641000 0.3701000       7.814000      0.3408000      0.8276000      0.5031000
  1 1 1       3   19    1 o    6.185000      0.3144000       6.425000 0.4746000       5.945000      0.4126000      0.4800000      0.6289000
  1 1 1       3   19    2 o    4.580000      0.7128000       4.487000 1.240000       4.673000      0.7029000     -0.1861000       1.426000
  1 1 1       3   19    3 o    1.968000      0.6427000       2.192000 0.9996000       1.744000      0.8082000      0.4482000       1.285000
  1 1 1       3   19    4 o    1.873000      0.6169000       1.967000 0.9184000       1.780000      0.8240000      0.1869000       1.234000
  1 1 1       3   19    5 o    6.118000      0.9534000       6.706000 0.8858000       5.529000       1.689000       1.176000       1.907000
  1 1 1       3   19    6 o    3.152000      0.7759000       3.028000 0.9692000       3.276000       1.212000     -0.2476000       1.552000
  1 1 1       3   19    7 o    6.537000      0.6000000       6.976000 0.5938000       6.098000       1.043000      0.8779000       1.200000
  1 1 1       3   19    8 o    6.148000      0.4632000       6.728000 0.5360000       5.569000      0.7555000       1.159000      0.9264000
  1 1 1       3   19    9 o    2.701000      0.4988000       1.617000 0.7062000       3.786000      0.7046000      -2.170000      0.9976000
  1 1 1       3   19   10 o    1.758000      0.5328000       1.765000 0.7434000       1.752000      0.7633000      0.1276000E-01   1.066000
  1 1 1       3   19   11 o    1.877000      0.5369000       1.825000 0.7495000       1.928000      0.7689000     -0.1030000       1.074000
  1 1 1       3   19   12 o    6.183000      0.2788000       5.831000 0.4294000       6.536000      0.3558000     -0.7048000      0.5577000
  1 1 1       3   19   13 o    2.115000      0.5086000       2.035000 0.7387000       2.195000      0.6994000     -0.1598000       1.017000
  1 1 1       3   19   14 o    12.75000      0.2766000       12.60000 0.4309000       12.90000      0.3468000     -0.2999000      0.5531000
  1 1 1       3   19   15 o    8.699000      0.2497000       8.974000 0.3721000       8.423000      0.3330000      0.5508000      0.4993000
  1 1 1       3   19   16 o    4.458000      0.3684000       4.218000 0.5832000       4.699000      0.4505000     -0.4810000      0.7369000
  1 1 1       3   19   17 o    3.002000      0.5032000       2.725000 0.7977000       3.279000      0.6136000     -0.5544000       1.006000
  1 1 1       3   19   18 f    10.29000      0.2381000       9.881000 0.3584000       10.70000      0.3136000     -0.8177000      0.4762000
  1 1 1       3   19   19 o    9.676000      0.2395000       9.573000 0.3579000       9.780000      0.3183000     -0.2070000      0.4790000
  1 1 1       3   19   20 o    4.350000      0.4100000       3.658000 0.6969000       5.041000      0.4323000      -1.384000      0.8201000
  1 1 1       3   19   21 o    2.453000      0.5503000       2.956000 0.8029000       1.951000      0.7526000       1.005000       1.101000
  1 1 1       3   19   22 o    7.750000      0.2526000       7.516000 0.3696000       7.984000      0.3444000     -0.4682000      0.5051000
  1 1 1       3   19   23 f    4.160000      0.3946000       3.808000 0.6379000       4.512000      0.4646000     -0.7038000      0.7891000
  1 1 1       3   19   24 o    5.844000      0.3094000       5.765000 0.4656000       5.922000      0.4077000     -0.1568000      0.6189000
  1 1 1       3   19   25 o    7.299000      0.2749000       7.203000 0.4076000       7.394000      0.3689000     -0.1911000      0.5497000
  1 1 1       3   19   26 o    6.117000      0.3318000       6.354000 0.4668000       5.880000      0.4717000      0.4737000      0.6636000
  1 1 1       3   19   27 o    3.659000      0.5270000       3.616000 0.7782000       3.703000      0.7110000     -0.8723000E-01   1.054000
  1 1 1       3   19   28 o    2.268000      0.5989000       2.398000 0.8659000       2.137000      0.8276000      0.2613000       1.198000
  1 1 1       3   19   29 o    2.626000      0.6636000       2.297000 1.036000       2.956000      0.8298000     -0.6586000       1.327000
  1 1 1       3   19   30 o    2.219000      0.6138000       2.168000 0.8793000       2.270000      0.8566000     -0.1024000       1.228000
  1 1 1       3   19   31 o    2.354000      0.6897000       2.576000 1.007000       2.131000      0.9424000      0.4449000       1.379000
  1 1 1       3   19   32 o    3.045000      0.7674000       2.603000 1.058000       3.486000       1.112000     -0.8826000       1.535000
  1 1 1       3   20    0 o    3.703000      0.8470000       4.664000 1.326000       2.742000       1.054000       1.921000       1.694000
  1 1 1       3   20    1 f    2.870000      0.8124000       2.803000 1.212000       2.938000       1.082000     -0.1347000       1.625000
  1 1 1       3   20    2 o    6.853000      0.6994000       6.853000 0.6994000                  ?              ?              ?              ?
  1 1 1       3   20    3 o    4.682000      0.6697000       4.694000 1.068000       4.671000      0.8087000      0.2346000E-01   1.339000
  1 1 1       3   20    4 o    2.825000      0.6679000       1.983000 0.9235000       3.666000      0.9653000      -1.684000       1.336000
  1 1 1       3   20    5 o    8.846000      0.5314000       8.691000 0.8251000       9.001000      0.6699000     -0.3092000       1.063000
  1 1 1       3   20    6 o    7.482000      0.4630000       8.210000 0.5656000       6.754000      0.7331000       1.455000      0.9259000
  1 1 1       3   20    7 o    3.938000      0.6882000       4.456000 0.7210000       3.421000       1.172000       1.035000       1.376000
  1 1 1       3   20    8 o    4.670000      0.5935000       5.560000 0.6138000       3.781000       1.016000       1.778000       1.187000
  1 1 1       3   20    9 o    3.377000      0.5653000       3.327000 0.7961000       3.426000      0.8028000     -0.9904000E-01   1.131000
  1 1 1       3   20   10 o    2.735000      0.5916000       2.396000 0.8371000       3.073000      0.8361000     -0.6770000       1.183000
  1 1 1       3   20   11 o    2.743000      0.5629000       2.478000 0.7972000       3.007000      0.7948000     -0.5290000       1.126000
  1 1 1       3   20   12 f    5.382000      0.3152000       5.475000 0.4634000       5.289000      0.4273000      0.1854000      0.6303000
  1 1 1       3   20   13 o    8.098000      0.2593000       8.432000 0.3821000       7.765000      0.3505000      0.6665000      0.5185000
  1 1 1       3   20   14 o    13.42000      0.2859000       13.51000 0.4522000       13.34000      0.3500000      0.1724000      0.5718000
  1 1 1       3   20   15 o    7.839000      0.2709000       8.416000 0.3990000       7.261000      0.3667000       1.155000      0.5419000
  1 1 1       3   20   16 o    1.979000      0.5493000       2.016000 0.8080000       1.942000      0.7444000      0.7326000E-01   1.099000
  1 1 1       3   20   17 o    2.991000      0.5338000       3.078000 0.8118000       2.904000      0.6935000      0.1738000       1.068000
  1 1 1       3   20   18 o    1.669000      0.5054000       2.049000 0.8129000       1.289000      0.6009000      0.7598000       1.011000
  1 1 1       3   20   19 o    1.860000      0.5373000       2.009000 0.8112000       1.712000      0.7046000      0.2972000       1.075000
  1 1 1       3   20   20 f    3.296000      0.5031000       4.102000 0.6614000       2.490000      0.7582000       1.611000       1.006000
  1 1 1       3   20   21 o    3.460000      0.5078000       2.943000 0.8359000       3.978000      0.5768000      -1.035000       1.016000
  1 1 1       3   20   22 o    4.562000      0.4125000       4.787000 0.5969000       4.336000      0.5693000      0.4511000      0.8249000
  1 1 1       3   20   23 o    3.095000      0.5665000       3.084000 0.8631000       3.106000      0.7342000     -0.2296000E-01   1.133000
  1 1 1       3   20   24 o    4.683000      0.3926000       5.109000 0.5631000       4.257000      0.5473000      0.8521000      0.7852000
  1 1 1       3   20   25 o    4.889000      0.3917000       4.785000 0.5836000       4.994000      0.5225000     -0.2094000      0.7833000
  1 1 1       3   20   26 o    1.813000      0.5365000       2.225000 0.8444000       1.402000      0.6619000      0.8226000       1.073000
  1 1 1       3   20   27 o    2.916000      0.6106000       2.645000 0.8851000       3.188000      0.8413000     -0.5435000       1.221000
  1 1 1       3   20   28 o    1.928000      0.5741000       1.608000 0.7416000       2.248000      0.8765000     -0.6405000       1.148000
  1 1 1       3   20   29 o    4.466000      0.7052000       4.410000 0.9949000       4.522000      0.9999000     -0.1119000       1.410000
  1 1 1       3   20   30 o    4.312000      0.7308000       3.899000 1.079000       4.725000      0.9860000     -0.8259000       1.462000
  1 1 1       3   20   31 o    2.373000      0.6388000       2.157000 0.8833000       2.590000      0.9230000     -0.4335000       1.278000
  1 1 1       3   21    0 o    5.193000      0.3371000       5.867000 0.4837000       4.518000      0.4698000       1.349000      0.6742000
  1 1 1       3   21    1 o    4.259000      0.4423000       4.918000 0.6265000       3.600000      0.6244000       1.318000      0.8845000
  1 1 1       3   21    2 o    7.159000      0.3888000       7.763000 0.5996000       6.556000      0.4952000       1.207000      0.7776000
  1 1 1       3   21    3 o    5.238000      0.6112000       4.614000 1.064000       5.861000      0.6026000      -1.247000       1.222000
  1 1 1       3   21    4 o    3.282000      0.7448000       3.282000 1.138000       3.282000      0.9615000      0.7336000E-03   1.490000
  1 1 1       3   21    5 o    3.526000      0.8728000       1.873000 0.8945000       5.179000       1.499000      -3.305000       1.746000
  1 1 1       3   21    6 o    2.302000      0.6851000       2.589000 1.002000       2.015000      0.9342000      0.5740000       1.370000
  1 1 1       3   21    7 o    2.246000      0.6951000       2.303000 0.9559000       2.189000       1.009000      0.1141000       1.390000
  1 1 1       3   21    8 o    3.421000      0.7078000       3.110000 0.9555000       3.731000       1.044000     -0.6206000       1.416000
  1 1 1       3   21    9 o    2.273000      0.6029000       2.567000 0.8439000       1.980000      0.8613000      0.5867000       1.206000
  1 1 1       3   21   10 o    1.847000      0.5372000       2.287000 0.8358000       1.407000      0.6751000      0.8798000       1.074000
  1 1 1       3   21   11 o    6.440000      0.3468000       6.434000 0.4829000       6.447000      0.4979000     -0.1286000E-01  0.6936000
  1 1 1       3   21   12 o    6.111000      0.3280000       6.369000 0.4584000       5.852000      0.4693000      0.5166000      0.6560000
  1 1 1       3   21   13 o    4.349000      0.4257000       3.714000 0.6815000       4.984000      0.5102000      -1.269000      0.8513000
  1 1 1       3   21   14 o    1.297000      0.4385000       1.359000 0.6427000       1.235000      0.5968000      0.1245000      0.8771000
  1 1 1       3   21   15 o    1.352000      0.4473000       1.267000 0.6104000       1.436000      0.6540000     -0.1689000      0.8946000
  1 1 1       3   21   16 f    2.162000      0.8234000       2.162000 0.8234000                  ?              ?              ?              ?
  1 1 1       3   21   17 o    3.227000      0.5549000       3.534000 0.8096000       2.920000      0.7592000      0.6141000       1.110000
  1 1 1       3   21   18 o    7.759000      0.3750000                  ?       ?   7.759000      0.3750000                  ?              ?
  1 1 1       3   21   19 o    1.895000      0.5292000       2.530000 0.8705000       1.260000      0.6019000       1.270000       1.058000
  1 1 1       3   21   20 o    3.733000      0.4935000       3.424000 0.7963000       4.042000      0.5833000     -0.6174000      0.9871000
  1 1 1       3   21   21 o    1.821000      0.5440000       2.090000 0.8394000       1.552000      0.6922000      0.5383000       1.088000
  1 1 1       3   21   22 o    3.961000      0.5133000       3.541000 0.8412000       4.381000      0.5886000     -0.8397000       1.027000
  1 1 1       3   21   23 o    2.292000      0.5832000       2.951000 0.9097000       1.632000      0.7299000       1.319000       1.166000
  1 1 1       3   21   24 o    3.219000      0.5932000       2.929000 0.9236000       3.509000      0.7448000     -0.5795000       1.186000
  1 1 1       3   21   25 o    2.802000      0.6045000       3.012000 0.8439000       2.593000      0.8657000      0.4188000       1.209000
  1 1 1       3   21   26 o    4.780000      0.5335000       4.402000 0.6700000       5.159000      0.8304000     -0.7569000       1.067000
  1 1 1       3   21   27 o    2.472000      0.6546000       3.058000 0.9813000       1.885000      0.8665000       1.173000       1.309000
  1 1 1       3   21   28 o    2.462000      0.6532000       3.211000 1.056000       1.713000      0.7692000       1.498000       1.306000
  1 1 1       3   21   29 o    5.078000      0.4819000       4.811000 0.7496000       5.344000      0.6058000     -0.5337000      0.9638000
  1 1 1       3   21   30 o    5.926000      0.4304000       6.678000 0.5798000       5.175000      0.6363000       1.503000      0.8608000
  1 1 1       3   21   31 o    2.061000      0.6676000       2.195000 0.9844000       1.928000      0.9019000      0.2670000       1.335000
  1 1 1       3   22    0 o    3.173000      0.5578000       2.959000 0.8687000       3.386000      0.7001000     -0.4273000       1.116000
  1 1 1       3   22    1 o    2.769000      0.6140000       2.599000 0.9157000       2.939000      0.8182000     -0.3397000       1.228000
  1 1 1       3   22    2 o    2.778000      0.7039000       2.901000 1.075000       2.655000      0.9088000      0.2460000       1.408000
  1 1 1       3   22    3 f    2.480000      0.7326000       3.092000 1.192000       1.868000      0.8519000       1.224000       1.465000
  1 1 1       3   22    4 o    2.881000      0.7753000       2.804000 1.150000       2.958000       1.040000     -0.1545000       1.551000
  1 1 1       3   22    5 o    3.266000      0.7707000       2.651000 1.077000       3.881000       1.103000      -1.230000       1.541000
  1 1 1       3   22    6 o    2.675000      0.7703000       2.420000 1.012000       2.930000       1.161000     -0.5096000       1.541000
  1 1 1       3   22    7 o    4.168000      0.7713000       4.734000 0.9484000       3.601000       1.217000       1.133000       1.543000
  1 1 1       3   22    8 o    5.794000      0.5528000       6.793000 0.5961000       4.795000      0.9310000       1.998000       1.106000
  1 1 1       3   22    9 o    3.089000      0.6163000       3.466000 0.8206000       2.712000      0.9196000      0.7540000       1.233000
  1 1 1       3   22   10 o    2.945000      0.5829000       2.171000 0.8264000       3.720000      0.8223000      -1.550000       1.166000
  1 1 1       3   22   11 o    3.296000      0.6015000       3.568000 0.8108000       3.023000      0.8887000      0.5451000       1.203000
  1 1 1       3   22   12 o    3.395000      0.5580000       4.278000 0.7009000       2.511000      0.8685000       1.767000       1.116000
  1 1 1       3   22   13 o    7.116000      0.3220000       6.854000 0.4844000       7.379000      0.4242000     -0.5251000      0.6439000
  1 1 1       3   22   14 f    5.657000      0.3825000       5.375000 0.5581000       5.938000      0.5233000     -0.5623000      0.7651000
  1 1 1       3   22   15 f    3.042000      0.5486000       2.353000 0.8536000       3.730000      0.6895000      -1.377000       1.097000
  1 1 1       3   22   16 o    2.179000      0.8308000       2.179000 0.8308000                  ?              ?              ?              ?
  1 1 1       3   22   17 o    2.319000      0.5796000       2.064000 0.8436000       2.574000      0.7950000     -0.5101000       1.159000
  1 1 1       3   22   18 o    2.792000      0.8304000                  ?       ?   2.792000      0.8304000                  ?              ?
  1 1 1       3   22   19 o    3.568000      0.5674000       3.763000 0.8483000       3.374000      0.7539000      0.3888000       1.135000
  1 1 1       3   22   20 o    3.007000      0.5293000       4.228000 0.7518000       1.785000      0.7452000       2.444000       1.059000
  1 1 1       3   22   21 o    1.684000      0.5297000       1.638000 0.7504000       1.729000      0.7478000     -0.9155000E-01   1.059000
  1 1 1       3   22   22 o    3.890000      0.5402000       3.918000 0.8468000       3.863000      0.6710000      0.5514000E-01   1.080000
  1 1 1       3   22   23 o    1.760000      0.5558000       1.884000 0.8407000       1.637000      0.7273000      0.2465000       1.112000
  1 1 1       3   22   24 o    3.604000      0.7579000       4.460000 1.064000       2.747000       1.080000       1.714000       1.516000
  1 1 1       3   22   25 o    3.979000      0.7830000       4.205000 1.080000       3.754000       1.134000      0.4506000       1.566000
  1 1 1       3   22   26 o    5.583000      0.4293000       5.373000 0.6670000       5.792000      0.5406000     -0.4192000      0.8586000
  1 1 1       3   22   27 o    3.414000      0.6363000       3.391000 0.9483000       3.436000      0.8487000     -0.4459000E-01   1.273000
  1 1 1       3   22   28 o    2.409000      0.7219000       2.322000 1.048000       2.495000      0.9934000     -0.1734000       1.444000
  1 1 1       3   22   29 o    2.990000      0.7858000       2.855000 1.147000       3.124000       1.075000     -0.2688000       1.572000
  1 1 1       3   22   30 f    2.094000      0.6292000       1.985000 0.8749000       2.203000      0.9045000     -0.2181000       1.258000
  1 1 1       3   23    0 o    3.060000      0.5984000       3.268000 0.8679000       2.851000      0.8240000      0.4168000       1.197000
  1 1 1       3   23    1 o    5.287000      0.4371000       5.604000 0.6400000       4.969000      0.5955000      0.6342000      0.8742000
  1 1 1       3   23    2 o    8.036000      0.3906000       7.286000 0.6221000       8.787000      0.4725000      -1.502000      0.7812000
  1 1 1       3   23    3 o    4.828000      0.7056000       6.049000 0.8941000       3.606000       1.092000       2.443000       1.411000
  1 1 1       3   23    4 o    5.810000      0.5951000       5.426000 0.9562000       6.194000      0.7086000     -0.7678000       1.190000
  1 1 1       3   23    5 f    4.848000      0.6734000       5.256000 0.8528000       4.439000       1.042000      0.8170000       1.347000
  1 1 1       3   23    6 o    2.556000      0.7497000       2.224000 0.9788000       2.889000       1.136000     -0.6651000       1.499000
  1 1 1       3   23    7 o    3.140000      0.7765000       1.970000 0.9233000       4.309000       1.249000      -2.339000       1.553000
  1 1 1       3   23    8 o    5.948000      0.5567000       5.940000 0.7207000       5.955000      0.8486000     -0.1501000E-01   1.113000
  1 1 1       3   23    9 f    1.963000      0.6005000       2.052000 0.8481000       1.874000      0.8505000      0.1789000       1.201000
  1 1 1       3   23   10 o    6.159000      0.4408000       5.954000 0.5704000       6.364000      0.6723000     -0.4094000      0.8817000
  1 1 1       3   23   11 f    9.530000      0.3673000       9.575000 0.5033000       9.485000      0.5351000      0.8987000E-01  0.7346000
  1 1 1       3   23   12 o    9.473000      0.3355000       9.269000 0.4699000       9.676000      0.4790000     -0.4065000      0.6710000
  1 1 1       3   23   13 o    4.922000      0.4294000       4.425000 0.6886000       5.419000      0.5133000     -0.9941000      0.8588000
  1 1 1       3   23   14 o    6.121000      0.3545000       6.144000 0.5299000       6.098000      0.4709000      0.4608000E-01  0.7089000
  1 1 1       3   23   15 o    6.045000      0.3660000       5.558000 0.5573000       6.532000      0.4747000     -0.9746000      0.7321000
  1 1 1       3   23   16 o    1.976000      0.5533000       1.863000 0.7996000       2.090000      0.7651000     -0.2264000       1.107000
  1 1 1       3   23   17 o    5.347000      0.3991000       5.356000 0.6180000       5.338000      0.5051000      0.1783000E-01  0.7982000
  1 1 1       3   23   18 o    4.962000      0.4092000       4.800000 0.5822000       5.124000      0.5752000     -0.3236000      0.8184000
  1 1 1       3   23   19 o    2.671000      0.6399000       3.088000 0.9564000       2.255000      0.8503000      0.8332000       1.280000
  1 1 1       3   23   20 o    2.414000      0.5940000       2.478000 0.9151000       2.349000      0.7578000      0.1295000       1.188000
  1 1 1       3   23   21 o    4.366000      0.7608000       3.918000 1.173000       4.814000      0.9695000     -0.8959000       1.522000
  1 1 1       3   23   22 o    6.142000      0.6647000       4.703000 1.140000       7.581000      0.6840000      -2.878000       1.329000
  1 1 1       3   23   23 o    4.756000      0.4932000       4.714000 0.7480000       4.799000      0.6431000     -0.8410000E-01  0.9864000
  1 1 1       3   23   24 o    3.491000      0.6362000       3.212000 0.9880000       3.770000      0.8017000     -0.5582000       1.272000
  1 1 1       3   23   25 o    3.540000      0.6158000       3.696000 0.9069000       3.384000      0.8332000      0.3118000       1.232000
  1 1 1       3   23   26 o    6.462000      0.5653000       6.743000 0.8652000       6.181000      0.7277000      0.5619000       1.131000
  1 1 1       3   23   27 o    5.608000      0.6984000       5.062000 1.180000       6.154000      0.7467000      -1.092000       1.397000
  1 1 1       3   23   28 o    3.348000      0.6838000       3.497000 1.001000       3.200000      0.9313000      0.2977000       1.368000
  1 1 1       3   23   29 o    3.656000      0.6088000       2.663000 0.9673000       4.650000      0.7393000      -1.987000       1.218000
  1 1 1       3   24    0 o    2.472000      0.6264000       2.399000 0.9202000       2.544000      0.8502000     -0.1449000       1.253000
  1 1 1       3   24    1 o    2.944000      0.6076000       2.594000 0.9326000       3.294000      0.7791000     -0.7004000       1.215000
  1 1 1       3   24    2 o    2.383000      0.6936000       2.113000 0.9597000       2.653000       1.002000     -0.5406000       1.387000
  1 1 1       3   24    3 o    3.201000      0.8068000       3.108000 1.187000       3.293000       1.093000     -0.1856000       1.614000
  1 1 1       3   24    4 o    2.863000      0.8017000       3.127000 1.199000       2.600000       1.064000      0.5274000       1.603000
  1 1 1       3   24    5 o    4.669000      0.7099000       5.114000 0.9543000       4.225000       1.051000      0.8891000       1.420000
  1 1 1       3   24    6 o    4.031000      0.8438000       3.937000 1.102000       4.125000       1.278000     -0.1888000       1.688000
  1 1 1       3   24    7 o    6.536000      0.6416000       6.483000 0.7992000       6.589000       1.004000     -0.1058000       1.283000
  1 1 1       3   24    8 o    6.241000      0.8831000       4.409000 1.621000       8.073000      0.7007000      -3.664000       1.766000
  1 1 1       3   24    9 o    2.606000      0.6413000       1.836000 0.8089000       3.377000      0.9955000      -1.541000       1.283000
  1 1 1       3   24   10 o    6.227000      0.4485000       6.357000 0.5778000       6.097000      0.6860000      0.2601000      0.8969000
  1 1 1       3   24   11 o    4.062000      0.6009000       3.825000 0.8389000       4.299000      0.8605000     -0.4744000       1.202000
  1 1 1       3   24   12 o    4.063000      0.5371000       4.716000 0.6281000       3.409000      0.8714000       1.307000       1.074000
  1 1 1       3   24   13 o    2.126000      0.5832000       1.681000 0.7598000       2.571000      0.8848000     -0.8897000       1.166000
  1 1 1       3   24   14 o    3.990000      0.4995000       4.217000 0.6762000       3.762000      0.7355000      0.4546000      0.9991000
  1 1 1       3   24   15 o    1.606000      0.5185000       1.472000 0.7023000       1.740000      0.7631000     -0.2679000       1.037000
  1 1 1       3   24   16 o    1.858000      0.5363000       2.597000 0.9144000       1.119000      0.5607000       1.478000       1.073000
  1 1 1       3   24   17 o    3.955000      0.9477000       4.512000 1.360000       3.399000       1.320000       1.114000       1.895000
  1 1 1       3   24   18 o    2.866000      0.8538000       3.088000 1.251000       2.645000       1.162000      0.4432000       1.708000
  1 1 1       3   24   19 o    6.285000      0.6561000       5.782000 1.244000       6.788000      0.4172000      -1.007000       1.312000
  1 1 1       3   24   20 f    5.489000      0.4661000       5.042000 0.7626000       5.936000      0.5362000     -0.8936000      0.9322000
  1 1 1       3   24   21 o    2.429000      0.6563000       2.894000 1.019000       1.965000      0.8278000      0.9284000       1.313000
  1 1 1       3   24   22 o    6.108000      0.4939000       5.968000 0.5640000       6.248000      0.8111000     -0.2799000      0.9879000
  1 1 1       3   24   23 o    8.678000      0.4456000       8.715000 0.6824000       8.641000      0.5732000      0.7391000E-01  0.8912000
  1 1 1       3   24   24 o    2.089000      0.6756000       2.488000 1.085000       1.690000      0.8056000      0.7987000       1.351000
  1 1 1       3   24   25 o    4.011000      0.6254000       3.193000 1.044000       4.828000      0.6896000      -1.635000       1.251000
  1 1 1       3   24   26 o    6.592000      0.4325000       6.934000 0.6236000       6.250000      0.5995000      0.6839000      0.8650000
  1 1 1       3   24   27 o    2.031000      0.6390000       2.005000 0.9126000       2.058000      0.8946000     -0.5260000E-01   1.278000
  1 1 1       3   24   28 o    2.156000      0.6383000       2.720000 1.025000       1.592000      0.7610000       1.128000       1.277000
  1 1 1       3   25    0 o    4.501000      0.5260000       4.873000 0.7590000       4.129000      0.7285000      0.7438000       1.052000
  1 1 1       3   25    1 o    6.417000      0.4014000       7.009000 0.5420000       5.826000      0.5923000       1.183000      0.8028000
  1 1 1       3   25    2 f    3.277000      0.7849000       3.737000 1.144000       2.817000       1.075000      0.9204000       1.570000
  1 1 1       3   25    3 o    5.211000      0.7437000       4.166000 1.268000       6.255000      0.7779000      -2.089000       1.487000
  1 1 1       3   25    4 o    6.014000      0.6409000       5.889000 1.000000       6.138000      0.8014000     -0.2485000       1.282000
  1 1 1       3   25    5 o    3.230000      0.8058000       3.342000 1.124000       3.118000       1.155000      0.2239000       1.612000
  1 1 1       3   25    6 o    6.791000      0.6285000       7.466000 0.6544000       6.116000       1.073000       1.350000       1.257000
  1 1 1       3   25    7 o    6.345000      0.6174000       6.219000 0.7339000       6.471000      0.9931000     -0.2520000       1.235000
  1 1 1       3   25    8 o    4.835000      0.7171000       4.231000 0.9274000       5.440000       1.094000      -1.209000       1.434000
  1 1 1       3   25    9 o    5.702000      0.4593000       5.738000 0.5976000       5.667000      0.6976000      0.7021000E-01  0.9186000
  1 1 1       3   25   10 o    3.256000      0.7018000       3.029000 0.9560000       3.483000       1.028000     -0.4542000       1.404000
  1 1 1       3   25   11 f    2.146000      0.6473000       1.904000 0.8615000       2.388000      0.9665000     -0.4843000       1.295000
  1 1 1       3   25   12 o    3.277000      0.9210000       1.834000 0.8888000       4.720000       1.613000      -2.886000       1.842000
  1 1 1       3   25   13 o    3.170000      0.9167000       3.109000 1.188000       3.231000       1.397000     -0.1224000       1.833000
  1 1 1       3   25   14 o    3.754000      0.9622000       2.724000 1.133000       4.783000       1.556000      -2.059000       1.924000
  1 1 1       3   25   15 o    3.183000      0.9453000       3.213000 1.281000       3.153000       1.391000      0.5998000E-01   1.891000
  1 1 1       3   25   16 o    2.445000      0.6123000       1.822000 0.8286000       3.067000      0.9018000      -1.245000       1.225000
  1 1 1       3   25   17 o    1.887000      0.5696000       2.179000 0.8807000       1.594000      0.7227000      0.5850000       1.139000
  1 1 1       3   25   18 o    2.271000      0.6331000       2.191000 0.9097000       2.351000      0.8808000     -0.1603000       1.266000
  1 1 1       3   25   19 o    3.003000      0.6791000       2.603000 1.028000       3.403000      0.8878000     -0.8000000       1.358000
  1 1 1       3   25   20 o    2.532000      0.7133000       3.087000 1.118000       1.978000      0.8866000       1.109000       1.427000
  1 1 1       3   25   21 o    3.508000      0.7528000       3.153000 1.153000       3.863000      0.9676000     -0.7102000       1.506000
  1 1 1       3   25   22 o    6.555000      0.4399000       6.531000 0.6534000       6.578000      0.5892000     -0.4754000E-01  0.8798000
  1 1 1       3   25   23 o    2.676000      0.7021000       3.099000 1.052000       2.254000      0.9302000      0.8457000       1.404000
  1 1 1       3   25   24 o    2.033000      0.6338000       2.097000 0.9300000       1.969000      0.8615000      0.1273000       1.268000
  1 1 1       3   25   25 o    4.064000      0.6562000       4.272000 0.9305000       3.856000      0.9254000      0.4159000       1.312000
  1 1 1       3   25   26 o    2.217000      0.6326000       1.662000 0.7989000       2.772000      0.9809000      -1.110000       1.265000
  1 1 1       3   25   27 o    2.368000      0.6889000       2.408000 1.000000       2.329000      0.9472000      0.7907000E-01   1.378000
  1 1 1       3   26    0 o    9.227000      0.3850000       9.636000 0.5544000       8.817000      0.5344000      0.8187000      0.7701000
  1 1 1       3   26    1 o    4.797000      0.6024000       4.162000 0.9735000       5.432000      0.7097000      -1.270000       1.205000
  1 1 1       3   26    2 o    3.266000      0.6998000       2.195000 0.9962000       4.336000      0.9832000      -2.141000       1.400000
  1 1 1       3   26    3 o    4.539000      0.8335000       4.663000 1.247000       4.415000       1.106000      0.2482000       1.667000
  1 1 1       3   26    4 o    5.003000      0.8375000       4.425000 1.317000       5.582000       1.035000      -1.157000       1.675000
  1 1 1       3   26    5 o    2.948000      0.7742000       3.241000 1.131000       2.655000       1.057000      0.5857000       1.548000
  1 1 1       3   26    6 o    6.604000      0.8191000       5.901000 1.374000       7.307000      0.8923000      -1.406000       1.638000
  1 1 1       3   26    7 o    4.414000       1.037000       3.848000 1.395000       4.980000       1.536000      -1.131000       2.075000
  1 1 1       3   26    8 o    3.784000       1.046000       3.651000 1.343000       3.917000       1.604000     -0.2657000       2.092000
  1 1 1       3   26    9 o    4.661000       1.025000       4.671000 1.277000       4.651000       1.603000      0.2005000E-01   2.050000
  1 1 1       3   26   10 o    3.574000      0.7807000       3.431000 1.288000       3.717000      0.8826000     -0.2860000       1.561000
  1 1 1       3   26   11 o    2.979000      0.6907000       2.705000 0.9497000       3.252000       1.003000     -0.5465000       1.381000
  1 1 1       3   26   12 o    3.154000      0.6713000       2.457000 0.9356000       3.852000      0.9630000      -1.394000       1.343000
  1 1 1       3   26   13 o    2.009000      0.5985000       2.314000 0.9129000       1.704000      0.7742000      0.6093000       1.197000
  1 1 1       3   26   14 o    2.495000      0.7674000       2.399000 0.9208000       2.591000       1.228000     -0.1918000       1.535000
  1 1 1       3   26   15 o    2.057000      0.6318000       2.508000 1.006000       1.606000      0.7650000      0.9017000       1.264000
  1 1 1       3   26   16 o    1.809000      0.5859000       1.882000 0.8634000       1.735000      0.7921000      0.1461000       1.172000
  1 1 1       3   26   17 o    2.281000      0.9682000       2.281000 0.9682000                  ?              ?              ?              ?
  1 1 1       3   26   18 o    2.018000      0.6042000       2.156000 0.9144000       1.880000      0.7901000      0.2762000       1.208000
  1 1 1       3   26   19 o    3.071000      0.7337000       2.808000 1.168000       3.334000      0.8881000     -0.5259000       1.467000
  1 1 1       3   26   20 o    5.005000      0.5813000       4.061000 0.9886000       5.948000      0.6118000      -1.887000       1.163000
  1 1 1       3   26   21 o    5.300000      0.5895000       3.674000 1.042000       6.926000      0.5513000      -3.252000       1.179000
  1 1 1       3   26   22 o    4.036000      0.6290000       2.607000 1.039000       5.465000      0.7087000      -2.858000       1.258000
  1 1 1       3   26   23 o    2.900000      0.7087000       3.643000 1.078000       2.158000      0.9204000       1.485000       1.417000
  1 1 1       3   26   24 f    2.072000      0.6419000       2.002000 0.9126000       2.141000      0.9028000     -0.1390000       1.284000
  1 1 1       3   26   25 o    2.240000      0.6674000       2.508000 1.014000       1.971000      0.8677000      0.5377000       1.335000
  1 1 1       3   26   26 o    2.919000       1.199000       2.919000 1.199000                  ?              ?              ?              ?
  1 1 1       3   27    0 o    2.598000      0.7201000       3.030000 1.100000       2.166000      0.9297000      0.8633000       1.440000
  1 1 1       3   27    1 o    4.468000      0.7205000       4.205000 1.096000       4.731000      0.9353000     -0.5254000       1.441000
  1 1 1       3   27    2 o    3.542000      0.8176000       4.193000 1.177000       2.891000       1.135000       1.303000       1.635000
  1 1 1       3   27    3 o    7.111000      0.5501000       6.166000 0.8378000       8.056000      0.7131000      -1.889000       1.100000
  1 1 1       3   27    4 f    3.926000      0.8012000       3.398000 1.256000       4.454000      0.9955000      -1.056000       1.602000
  1 1 1       3   27    5 o    2.165000      0.7000000       2.023000 0.9536000       2.307000       1.025000     -0.2842000       1.400000
  1 1 1       3   27    6 o    3.365000      0.8198000       3.247000 1.137000       3.483000       1.181000     -0.2362000       1.640000
  1 1 1       3   27    7 o    2.270000      0.7312000       1.788000 0.8674000       2.753000       1.177000     -0.9647000       1.462000
  1 1 1       3   27    8 o    6.408000      0.6372000       7.072000 0.8809000       5.745000      0.9211000       1.327000       1.274000
  1 1 1       3   27    9 o    1.896000      0.6024000       2.081000 0.8927000       1.711000      0.8092000      0.3702000       1.205000
  1 1 1       3   27   10 o    4.112000      0.7318000       4.881000 0.9074000       3.343000       1.149000       1.538000       1.464000
  1 1 1       3   27   11 o    2.491000      0.6741000       1.601000 0.7770000       3.381000       1.102000      -1.780000       1.348000
  1 1 1       3   27   12 o    2.574000      0.7095000       2.164000 0.9428000       2.983000       1.061000     -0.8189000       1.419000
  1 1 1       3   27   13 o    3.799000      0.7071000       3.451000 1.040000       4.147000      0.9585000     -0.6955000       1.414000
  1 1 1       3   27   14 o    2.003000      0.6062000       2.012000 0.8710000       1.993000      0.8432000      0.1922000E-01   1.212000
  1 1 1       3   27   15 o    2.148000      0.6234000       2.327000 0.9277000       1.969000      0.8329000      0.3577000       1.247000
  1 1 1       3   27   16 o    4.682000      0.5601000       4.809000 0.8011000       4.555000      0.7830000      0.2540000       1.120000
  1 1 1       3   27   17 o    4.092000      0.9527000       4.092000 0.9527000                  ?              ?              ?              ?
  1 1 1       3   27   18 o    6.925000      0.4447000       7.025000 0.7156000       6.826000      0.5282000      0.1993000      0.8894000
  1 1 1       3   27   19 o    3.675000      0.8979000                  ?       ?   3.675000      0.8979000                  ?              ?
  1 1 1       3   27   20 o    2.840000      0.6952000       2.589000 1.010000       3.091000      0.9552000     -0.5023000       1.390000
  1 1 1       3   27   21 o    4.180000      0.6817000       3.976000 1.043000       4.384000      0.8787000     -0.4078000       1.363000
  1 1 1       3   27   22 o    2.191000      0.6479000       2.839000 1.055000       1.543000      0.7522000       1.296000       1.296000
  1 1 1       3   27   23 o    2.840000      0.6868000       3.854000 1.081000       1.827000      0.8476000       2.027000       1.374000
  1 1 1       3   27   24 o    2.214000      0.6582000       2.976000 1.107000       1.453000      0.7123000       1.523000       1.316000
  1 1 1       3   28    0 o    3.239000      0.6355000       3.634000 0.8866000       2.844000      0.9107000      0.7898000       1.271000
  1 1 1       3   28    1 o    3.165000      0.8676000       3.506000 1.494000       2.824000      0.8834000      0.6818000       1.735000
  1 1 1       3   28    2 o    4.342000      0.9999000       5.842000 1.566000       2.842000       1.244000       3.000000       2.000000
  1 1 1       3   28    3 o    3.874000      0.9583000       5.311000 1.532000       2.438000       1.152000       2.873000       1.917000
  1 1 1       3   28    4 o    4.216000      0.9803000       5.337000 1.414000       3.095000       1.358000       2.242000       1.961000
  1 1 1       3   28    5 o    2.801000      0.8581000       2.849000 1.195000       2.752000       1.231000      0.9712000E-01   1.716000
  1 1 1       3   28    6 o    2.547000      0.8169000       2.739000 1.191000       2.356000       1.119000      0.3833000       1.634000
  1 1 1       3   28    7 o    4.620000      0.9205000       4.941000 1.235000       4.298000       1.365000      0.6435000       1.841000
  1 1 1       3   28    8 o    2.597000      0.6759000       1.783000 0.8429000       3.412000       1.057000      -1.629000       1.352000
  1 1 1       3   28    9 o    2.205000      0.6671000       1.868000 0.8567000       2.543000       1.023000     -0.6748000       1.334000
  1 1 1       3   28   10 o    3.069000      0.7533000       3.055000 1.028000       3.084000       1.101000     -0.2898000E-01   1.507000
  1 1 1       3   28   11 o    2.196000      0.6702000       1.900000 0.8736000       2.493000       1.017000     -0.5923000       1.340000
  1 1 1       3   28   12 o    2.931000      0.7195000       3.335000 1.027000       2.526000       1.008000      0.8098000       1.439000
  1 1 1       3   28   13 o    2.732000      0.6934000       2.442000 0.9604000       3.021000       1.001000     -0.5799000       1.387000
  1 1 1       3   28   14 o    2.339000      0.6307000       3.081000 1.006000       1.597000      0.7612000       1.483000       1.261000
  1 1 1       3   28   15 o    2.816000      0.6529000       2.140000 0.9169000       3.491000      0.9296000      -1.352000       1.306000
  1 1 1       3   28   16 o    1.966000      0.6176000       1.988000 0.8906000       1.943000      0.8558000      0.4409000E-01   1.235000
  1 1 1       3   28   17 o    3.085000      0.7090000       3.143000 1.053000       3.027000      0.9493000      0.1161000       1.418000
  1 1 1       3   28   18 o    2.383000      0.6841000       2.796000 1.053000       1.970000      0.8734000      0.8255000       1.368000
  1 1 1       3   28   19 o    1.557000      0.7435000                  ?       ?   1.557000      0.7435000                  ?              ?
  1 1 1       3   28   20 o    3.036000      0.7061000       2.676000 1.031000       3.397000      0.9653000     -0.7207000       1.412000
  1 1 1       3   28   21 o    2.153000      0.6643000       2.276000 0.9699000       2.031000      0.9079000      0.2448000       1.329000
  1 1 1       3   28   22 o    2.278000      0.6775000       1.884000 0.8852000       2.673000       1.026000     -0.7886000       1.355000
  1 1 1       3   28   23 o    3.748000      0.7275000       3.019000 1.119000       4.476000      0.9297000      -1.457000       1.455000
  1 1 1       3   29    0 o    2.433000      0.7019000       2.875000 1.082000       1.992000      0.8939000      0.8831000       1.404000
  1 1 1       3   29    1 o    2.289000      0.6738000       2.644000 1.031000       1.934000      0.8675000      0.7097000       1.348000
  1 1 1       3   29    2 o    2.718000      0.7079000       2.189000 0.9689000       3.248000       1.032000      -1.059000       1.416000
  1 1 1       3   29    3 o    4.095000      0.7164000       5.205000 0.9399000       2.984000       1.081000       2.221000       1.433000
  1 1 1       3   29    4 o    2.686000      0.7537000       2.305000 1.018000       3.067000       1.111000     -0.7623000       1.507000
  1 1 1       3   29    5 o    3.040000      0.7961000       2.726000 1.081000       3.354000       1.169000     -0.6286000       1.592000
  1 1 1       3   29    6 o    3.165000      0.7903000       3.336000 1.085000       2.993000       1.150000      0.3424000       1.581000
  1 1 1       3   29    7 o    2.511000      0.7374000       2.503000 1.033000       2.518000       1.052000     -0.1472000E-01   1.475000
  1 1 1       3   29    8 o    3.378000      0.6582000       4.631000 0.9065000       2.124000      0.9545000       2.507000       1.316000
  1 1 1       3   29    9 o    2.842000      0.7547000       2.968000 1.066000       2.717000       1.069000      0.2506000       1.509000
  1 1 1       3   29   10 o    2.485000      0.7249000       2.163000 0.9519000       2.806000       1.094000     -0.6427000       1.450000
  1 1 1       3   29   11 o    2.858000      0.7501000       2.542000 1.027000       3.173000       1.093000     -0.6312000       1.500000
  1 1 1       3   29   12 o    2.734000      0.6894000       3.427000 1.031000       2.042000      0.9152000       1.384000       1.379000
  1 1 1       3   29   13 o    2.557000      0.7083000       3.269000 1.127000       1.845000      0.8579000       1.424000       1.417000
  1 1 1       3   29   14 o    2.467000      0.6480000       1.777000 0.8305000       3.156000      0.9950000      -1.379000       1.296000
  1 1 1       3   29   15 o    3.572000      0.6770000       4.712000 0.9247000       2.433000      0.9892000       2.278000       1.354000
  1 1 1       3   29   16 o    3.514000      0.7469000       3.694000 1.077000       3.334000       1.035000      0.3600000       1.494000
  1 1 1       3   29   17 o    2.779000      0.7181000       3.400000 1.090000       2.159000      0.9348000       1.241000       1.436000
  1 1 1       3   29   18 o    1.951000      0.6186000       1.731000 0.8279000       2.172000      0.9194000     -0.4413000       1.237000
  1 1 1       3   29   19 o    3.253000      0.7850000       3.265000 1.196000       3.240000       1.017000      0.2534000E-01   1.570000
  1 1 1       3   29   20 o    4.283000      0.7099000       4.186000 1.016000       4.380000      0.9921000     -0.1942000       1.420000
  1 1 1       3   29   21 o    2.432000      0.7173000       2.172000 0.9689000       2.693000       1.058000     -0.5202000       1.435000
  1 1 1       3   30    0 o    2.518000      0.7311000       2.548000 1.045000       2.489000       1.023000      0.5853000E-01   1.462000
  1 1 1       3   30    1 o    2.818000      0.7454000       2.919000 1.066000       2.716000       1.042000      0.2038000       1.491000
  1 1 1       3   30    2 o    2.437000      0.7229000       2.401000 1.011000       2.473000       1.033000     -0.7249000E-01   1.446000
  1 1 1       3   30    3 f    3.385000      0.7425000       2.242000 0.9779000       4.528000       1.117000      -2.287000       1.485000
  1 1 1       3   30    4 o    3.001000      0.7591000       3.405000 1.065000       2.598000       1.082000      0.8072000       1.518000
  1 1 1       3   30    5 o    3.422000      0.7925000       3.157000 1.071000       3.687000       1.169000     -0.5301000       1.585000
  1 1 1       3   30    6 o    2.532000      0.7139000       1.785000 0.8409000       3.278000       1.154000      -1.493000       1.428000
  1 1 1       3   30    7 o    2.211000      0.6929000       2.322000 0.9950000       2.100000      0.9647000      0.2217000       1.386000
  1 1 1       3   30    8 o    2.841000      0.8057000       2.845000 1.114000       2.837000       1.165000      0.8016000E-02   1.611000
  1 1 1       3   30    9 o    2.189000      0.6881000       2.481000 1.048000       1.897000      0.8925000      0.5844000       1.376000
  1 1 1       3   30   10 o    3.600000      0.7949000       3.263000 1.160000       3.937000       1.087000     -0.6732000       1.590000
  1 1 1       3   30   11 o    3.302000      0.7927000       3.510000 1.153000       3.095000       1.088000      0.4148000       1.585000
  1 1 1       3   30   12 o    3.515000      0.7821000       3.410000 1.115000       3.620000       1.097000     -0.2104000       1.564000
  1 1 1       3   30   13 o    2.976000      0.7282000       3.369000 1.072000       2.582000      0.9857000      0.7874000       1.456000
  1 1 1       3   30   14 o    3.430000      0.8114000       3.639000 1.212000       3.221000       1.080000      0.4180000       1.623000
  1 1 1       3   30   15 o    5.459000      0.6582000       5.469000 1.056000       5.449000      0.7864000      0.2025000E-01   1.316000
  1 1 1       3   30   16 o    2.192000      0.6896000       2.291000 0.9957000       2.094000      0.9544000      0.1973000       1.379000
  1 1 1       3   30   17 o    2.182000      0.6943000       2.164000 0.9788000       2.200000      0.9850000     -0.3592000E-01   1.389000
  1 1 1       3   30   18 o    2.072000      0.6542000       2.597000 1.061000       1.548000      0.7658000       1.049000       1.308000
  1 1 1       3   30   19 o    2.251000      0.7106000       2.208000 0.9968000       2.295000       1.013000     -0.8668000E-01   1.421000
  1 1 1       3   31    0 o    7.205000      0.5965000       6.217000 0.8898000       8.193000      0.7948000      -1.976000       1.193000
  1 1 1       3   31    1 o    4.691000      0.7295000       3.658000 1.163000       5.723000      0.8810000      -2.065000       1.459000
  1 1 1       3   31    2 o    3.969000      0.7785000       3.199000 1.120000       4.740000       1.082000      -1.541000       1.557000
  1 1 1       3   31    3 o    2.517000      0.7706000       2.117000 0.9708000       2.917000       1.197000     -0.7992000       1.541000
  1 1 1       3   31    4 o    2.957000      0.7549000       2.064000 0.9410000       3.851000       1.181000      -1.786000       1.510000
  1 1 1       3   31    5 o    2.320000      0.7233000       2.233000 0.9801000       2.407000       1.064000     -0.1738000       1.447000
  1 1 1       3   31    6 f    2.785000      0.7501000       3.330000 1.110000       2.239000       1.009000       1.091000       1.500000
  1 1 1       3   31    7 o    2.676000      0.7668000       2.923000 1.123000       2.429000       1.044000      0.4941000       1.534000
  1 1 1       3   31    8 o    3.666000      0.7654000       2.823000 1.116000       4.509000       1.048000      -1.686000       1.531000
  1 1 1       3   31    9 o    3.120000      0.7704000       2.506000 1.081000       3.733000       1.098000      -1.227000       1.541000
  1 1 1       3   31   10 o    2.221000      0.7097000       2.338000 1.050000       2.104000      0.9551000      0.2334000       1.419000
  1 1 1       3   31   11 o    3.208000      0.8104000       3.416000 1.167000       2.999000       1.125000      0.4167000       1.621000
  1 1 1       3   31   12 o    2.643000      0.7693000       2.715000 1.101000       2.571000       1.074000      0.1435000       1.539000
  1 1 1       3   31   13 o    2.450000      0.6918000       3.251000 1.128000       1.649000      0.8012000       1.602000       1.384000
  1 1 1       3   31   14 o    3.103000      0.7838000       3.286000 1.137000       2.919000       1.079000      0.3672000       1.568000
  1 1 1       3   31   15 o    2.663000      0.7534000       2.421000 1.037000       2.906000       1.093000     -0.4853000       1.507000
  1 1 1       3   31   16 o    3.147000      0.7827000       2.899000 1.095000       3.394000       1.119000     -0.4946000       1.565000
  1 1 1       3   31   17 o    3.146000      0.7873000       3.442000 1.125000       2.849000       1.102000      0.5923000       1.575000
  1 1 1       3   32    0 o    2.373000      0.7369000       2.001000 0.9420000       2.745000       1.133000     -0.7434000       1.474000
  1 1 1       3   32    1 o    2.975000      0.8066000       3.167000 1.152000       2.784000       1.129000      0.3830000       1.613000
  1 1 1       3   32    2 f    2.808000      0.7826000       2.883000 1.096000       2.733000       1.117000      0.1504000       1.565000
  1 1 1       3   32    3 o    3.077000      0.7980000       2.760000 1.073000       3.394000       1.181000     -0.6342000       1.596000
  1 1 1       3   32    4 o    2.853000      0.7337000       3.709000 1.128000       1.996000      0.9388000       1.713000       1.467000
  1 1 1       3   32    5 o    2.565000      0.7367000       1.876000 0.8921000       3.254000       1.173000      -1.377000       1.473000
  1 1 1       3   32    6 o    2.638000      0.7743000       2.648000 1.089000       2.628000       1.101000      0.1990000E-01   1.549000
  1 1 1       3   32    7 o    3.172000      0.7547000       3.964000 1.091000       2.380000       1.043000       1.584000       1.509000
  1 1 1       3   32    8 o    2.096000      0.6764000       1.846000 0.8800000       2.347000       1.028000     -0.5013000       1.353000
  1 1 1       3   32    9 o    2.980000      0.7956000       3.230000 1.121000       2.730000       1.129000      0.4999000       1.591000
  1 1 1       3   32   10 o    2.356000      0.7331000       2.153000 0.9797000       2.560000       1.091000     -0.4071000       1.466000
  1 1 1       3   32   11 o    2.812000      0.7974000       3.077000 1.176000       2.547000       1.078000      0.5307000       1.595000
  1 1 1       3   32   12 o    3.889000      0.8108000       4.192000 1.150000       3.585000       1.143000      0.6067000       1.622000
  1 1 1       3   32   13 o    3.066000      0.7800000       3.626000 1.153000       2.505000       1.051000       1.121000       1.560000
  1 1 1       3   32   14 o    2.311000      0.7203000       2.476000 1.071000       2.146000      0.9631000      0.3300000       1.441000
  1 1 1       3   32   15 o    2.660000      0.8020000       2.613000 1.148000       2.707000       1.120000     -0.9363000E-01   1.604000
  1 1 1       3   33    0 o    2.609000      0.7911000       2.516000 1.088000       2.702000       1.149000     -0.1857000       1.582000
  1 1 1       3   33    1 o    3.733000      0.8427000       3.856000 1.137000       3.609000       1.244000      0.2470000       1.685000
  1 1 1       3   33    2 o    3.476000      0.8308000       2.691000 1.082000       4.261000       1.261000      -1.570000       1.662000
  1 1 1       3   33    3 f    2.786000      0.7971000       2.768000 1.095000       2.805000       1.159000     -0.3678000E-01   1.594000
  1 1 1       3   33    4 o    2.458000      0.7275000       2.996000 1.132000       1.921000      0.9140000       1.075000       1.455000
  1 1 1       3   33    5 o    2.992000      0.8034000       2.690000 1.089000       3.295000       1.181000     -0.6044000       1.607000
  1 1 1       3   33    6 o    3.503000      0.8349000       3.091000 1.158000       3.915000       1.203000     -0.8246000       1.670000
  1 1 1       3   33    7 f    2.776000      0.7827000       2.357000 1.034000       3.195000       1.175000     -0.8377000       1.565000
  1 1 1       3   33    8 o    2.088000      0.6657000       1.777000 0.8478000       2.399000       1.027000     -0.6224000       1.331000
  1 1 1       3   33    9 o    2.688000      0.7828000       2.819000 1.125000       2.557000       1.089000      0.2625000       1.566000
  1 1 1       3   33   10 o    2.721000      0.7788000       2.715000 1.123000       2.726000       1.080000     -0.1118000E-01   1.558000
  1 1 1       3   33   11 o    2.482000      0.7526000       2.592000 1.099000       2.371000       1.028000      0.2209000       1.505000
  1 1 1       3   33   12 o    4.005000      0.8022000       3.494000 1.156000       4.516000       1.112000      -1.021000       1.604000
  1 1 1       3   34    0 o    4.274000      0.7772000       5.287000 0.9481000       3.261000       1.232000       2.026000       1.554000
  1 1 1       3   34    1 o    3.344000      0.8277000       3.481000 1.139000       3.206000       1.201000      0.2750000       1.655000
  1 1 1       3   34    2 o    2.262000      0.7055000       2.457000 1.024000       2.068000      0.9707000      0.3894000       1.411000
  1 1 1       3   34    3 o    2.304000      0.6969000       1.802000 0.8560000       2.806000       1.100000      -1.004000       1.394000
  1 1 1       3   34    4 o    3.161000      0.7968000       2.678000 1.071000       3.644000       1.180000     -0.9664000       1.594000
  1 1 1       3   34    5 o    3.406000      0.8309000       3.745000 1.152000       3.068000       1.198000      0.6775000       1.662000
  1 1 1       3   34    6 o    2.782000      0.7866000       2.325000 1.029000       3.240000       1.190000     -0.9150000       1.573000
  1 1 1       3   34    7 o    2.095000      0.6761000       1.594000 0.7911000       2.596000       1.097000      -1.002000       1.352000
  1 1 1       3   34    8 o    2.047000      0.6966000       2.043000 0.9526000       2.050000       1.017000     -0.6371000E-02   1.393000
  1 1 1       4  -31    0 o    2.219000      0.7034000       2.190000 0.9781000       2.248000       1.011000     -0.5743000E-01   1.407000
  1 1 1       4  -31    1 o    2.458000      0.7341000       2.067000 0.9489000       2.849000       1.120000     -0.7820000       1.468000
  1 1 1       4  -31    2 o    2.452000      0.7354000       2.550000 1.057000       2.354000       1.023000      0.1962000       1.471000
  1 1 1       4  -31    3 o    2.709000       1.105000       2.709000 1.105000                  ?              ?              ?              ?
  1 1 1       4  -31    4 o    2.667000      0.7531000       2.261000 1.015000       3.072000       1.113000     -0.8109000       1.506000
  1 1 1       4  -31    5 o    2.210000      0.9824000                  ?       ?   2.210000      0.9824000                  ?              ?
  1 1 1       4  -31    6 o    2.215000      0.6920000       2.246000 1.006000       2.184000      0.9508000      0.6190000E-01   1.384000
  1 1 1       4  -31    7 o    2.312000       1.094000       2.312000 1.094000                  ?              ?              ?              ?
  1 1 1       4  -30    0 o    2.534000      0.7677000       2.516000 1.088000       2.553000       1.083000     -0.3783000E-01   1.535000
  1 1 1       4  -30    1 o    2.758000      0.8069000       3.097000 1.209000       2.418000       1.069000      0.6794000       1.614000
  1 1 1       4  -30    2 f    2.436000      0.7344000       2.241000 1.001000       2.630000       1.075000     -0.3891000       1.469000
  1 1 1       4  -30    3 o    3.469000      0.8148000       3.919000 1.181000       3.018000       1.123000      0.9014000       1.630000
  1 1 1       4  -30    4 o    2.782000      0.7630000       3.633000 1.219000       1.931000      0.9185000       1.702000       1.526000
  1 1 1       4  -30    5 o    2.332000      0.7192000       2.305000 1.012000       2.360000       1.022000     -0.5507000E-01   1.438000
  1 1 1       4  -30    6 o    2.873000      0.7511000       2.318000 1.021000       3.429000       1.102000      -1.111000       1.502000
  1 1 1       4  -30    7 f    3.756000      0.7684000       3.763000 1.136000       3.750000       1.035000      0.1332000E-01   1.537000
  1 1 1       4  -30    8 o    2.654000      0.7345000       3.042000 1.116000       2.267000      0.9555000      0.7753000       1.469000
  1 1 1       4  -30    9 o    2.595000      0.7411000       2.321000 1.025000       2.870000       1.071000     -0.5495000       1.482000
  1 1 1       4  -30   10 o    2.439000      0.7213000       2.244000 1.016000       2.634000       1.024000     -0.3894000       1.443000
  1 1 1       4  -30   11 o    3.141000      0.7618000       3.569000 1.155000       2.713000      0.9939000      0.8557000       1.524000
  1 1 1       4  -29    0 o    5.538000      0.7294000       4.931000 1.110000       6.144000      0.9467000      -1.213000       1.459000
  1 1 1       4  -29    1 o    3.594000      0.7793000       4.750000 1.128000       2.439000       1.075000       2.311000       1.559000
  1 1 1       4  -29    2 o    2.238000      0.6918000       1.705000 0.8361000       2.770000       1.102000      -1.065000       1.384000
  1 1 1       4  -29    3 o    2.720000      0.7953000       2.702000 1.129000       2.738000       1.121000     -0.3663000E-01   1.591000
  1 1 1       4  -29    4 o    2.499000      0.7602000       2.746000 1.136000       2.253000       1.010000      0.4932000       1.520000
  1 1 1       4  -29    5 o    2.617000      0.7454000       2.106000 0.9801000       3.129000       1.123000      -1.023000       1.491000
  1 1 1       4  -29    6 o    2.227000      0.6517000       1.541000 0.7690000       2.914000       1.052000      -1.373000       1.303000
  1 1 1       4  -29    7 o    2.674000      0.7279000       3.374000 1.151000       1.975000      0.8917000       1.399000       1.456000
  1 1 1       4  -29    8 o    2.510000      0.7013000       1.859000 0.8826000       3.161000       1.090000      -1.303000       1.403000
  1 1 1       4  -29    9 o    2.672000      0.7338000       3.081000 1.116000       2.263000      0.9528000      0.8185000       1.468000
  1 1 1       4  -29   10 o    4.397000      0.6956000       4.252000 1.091000       4.542000      0.8628000     -0.2905000       1.391000
  1 1 1       4  -29   11 o    2.238000      0.6812000       2.279000 1.015000       2.197000      0.9090000      0.8155000E-01   1.362000
  1 1 1       4  -29   12 o    2.589000      0.7081000       2.283000 0.9924000       2.896000       1.010000     -0.6129000       1.416000
  1 1 1       4  -29   13 o    2.743000      0.7413000       2.533000 1.060000       2.954000       1.037000     -0.4205000       1.483000
  1 1 1       4  -29   14 o    2.804000      0.7795000       2.785000 1.155000       2.824000       1.047000     -0.3877000E-01   1.559000
  1 1 1       4  -28    0 o    3.059000      0.7617000       1.935000 0.9250000       4.184000       1.210000      -2.249000       1.523000
  1 1 1       4  -28    1 o    3.942000      0.8166000       4.907000 1.116000       2.977000       1.193000       1.931000       1.633000
  1 1 1       4  -28    2 o    3.075000      0.8324000       3.658000 1.251000       2.493000       1.098000       1.165000       1.665000
  1 1 1       4  -28    3 o    3.482000      0.7979000       4.618000 1.225000       2.347000       1.023000       2.271000       1.596000
  1 1 1       4  -28    4 o    3.600000       1.242000       3.600000 1.242000                  ?              ?              ?              ?
  1 1 1       4  -28    5 o    3.336000      0.8016000       4.121000 1.181000       2.551000       1.084000       1.570000       1.603000
  1 1 1       4  -28    6 o    1.846000      0.8798000                  ?       ?   1.846000      0.8798000                  ?              ?
  1 1 1       4  -28    7 o    1.838000      0.6105000       1.797000 0.8614000       1.879000      0.8653000     -0.8236000E-01   1.221000
  1 1 1       4  -28    8 o    2.477000      0.7226000       2.214000 0.9769000       2.741000       1.065000     -0.5279000       1.445000
  1 1 1       4  -28    9 o    3.134000      0.7545000       2.588000 1.049000       3.681000       1.085000      -1.093000       1.509000
  1 1 1       4  -28   10 o    2.408000      0.7038000       2.783000 1.083000       2.033000      0.8994000      0.7498000       1.408000
  1 1 1       4  -28   11 o    4.286000      0.6944000       3.781000 1.106000       4.791000      0.8395000      -1.010000       1.389000
  1 1 1       4  -28   12 o    2.814000      0.7016000       2.380000 0.9958000       3.249000      0.9885000     -0.8691000       1.403000
  1 1 1       4  -28   13 o    3.064000      0.7415000       3.501000 1.112000       2.628000      0.9811000      0.8728000       1.483000
  1 1 1       4  -28   14 o    2.889000      0.7628000       2.896000 1.102000       2.881000       1.055000      0.1503000E-01   1.526000
  1 1 1       4  -28   15 f    2.596000      0.7010000       3.250000 1.100000       1.941000      0.8688000       1.309000       1.402000
  1 1 1       4  -28   16 o    2.466000      0.7255000       2.427000 1.053000       2.505000      0.9983000     -0.7889000E-01   1.451000
  1 1 1       4  -28   17 o    3.782000       1.198000       3.782000 1.198000                  ?              ?              ?              ?
  1 1 1       4  -27    0 o    2.328000      0.7261000       2.547000 1.085000       2.110000      0.9656000      0.4376000       1.452000
  1 1 1       4  -27    1 o    2.730000      0.7800000       3.134000 1.165000       2.327000       1.038000      0.8062000       1.560000
  1 1 1       4  -27    2 o    3.777000      0.9413000       3.521000 1.347000       4.033000       1.315000     -0.5113000       1.883000
  1 1 1       4  -27    3 o    2.612000      0.7742000       2.835000 1.157000       2.388000       1.029000      0.4478000       1.548000
  1 1 1       4  -27    4 o    2.343000       1.061000       2.343000 1.061000                  ?              ?              ?              ?
  1 1 1       4  -27    5 f    2.732000      0.7895000       3.124000 1.215000       2.340000       1.009000      0.7846000       1.579000
  1 1 1       4  -27    6 o    4.239000      0.9695000                  ?       ?   4.239000      0.9695000                  ?              ?
  1 1 1       4  -27    7 o    3.579000      0.9345000       4.630000 1.595000       2.528000      0.9748000       2.102000       1.869000
  1 1 1       4  -27    8 o    3.685000       1.060000       4.152000 1.599000       3.218000       1.392000      0.9342000       2.120000
  1 1 1       4  -27    9 o    3.425000       1.044000       3.206000 1.428000       3.644000       1.522000     -0.4381000       2.087000
  1 1 1       4  -27   10 o    4.892000       1.095000       3.997000 1.534000       5.787000       1.562000      -1.790000       2.189000
  1 1 1       4  -27   11 o    2.661000      0.8755000       2.996000 1.333000       2.326000       1.136000      0.6704000       1.751000
  1 1 1       4  -27   12 o    4.012000       1.055000       3.635000 1.452000       4.389000       1.530000     -0.7531000       2.109000
  1 1 1       4  -27   13 o    5.612000       1.713000       5.612000 1.713000                  ?              ?              ?              ?
  1 1 1       4  -27   14 f    3.570000       1.040000       3.303000 1.417000       3.837000       1.522000     -0.5343000       2.080000
  1 1 1       4  -27   15 o    3.816000       1.080000       3.684000 1.516000       3.949000       1.538000     -0.2650000       2.160000
  1 1 1       4  -27   16 o    3.318000       1.021000       3.309000 1.451000       3.327000       1.438000     -0.1830000E-01   2.042000
  1 1 1       4  -27   17 o    4.789000       1.087000       3.589000 1.511000       5.988000       1.564000      -2.399000       2.175000
  1 1 1       4  -27   18 o    3.610000       1.032000       3.499000 1.440000       3.722000       1.479000     -0.2235000       2.064000
  1 1 1       4  -27   19 o    6.438000       1.353000                  ?       ?   6.438000       1.353000                  ?              ?
  1 1 1       4  -26    0 o    2.867000      0.7948000       2.874000 1.138000       2.861000       1.110000      0.1221000E-01   1.590000
  1 1 1       4  -26    1 o    3.296000      0.7166000       4.613000 1.091000       1.979000      0.9297000       2.634000       1.433000
  1 1 1       4  -26    2 o    3.016000      0.8370000       3.204000 1.216000       2.829000       1.150000      0.3755000       1.674000
  1 1 1       4  -26    3 o    2.787000      0.8456000       2.367000 1.110000       3.206000       1.276000     -0.8386000       1.691000
  1 1 1       4  -26    4 o    2.890000      0.6918000       2.157000 0.9665000       3.623000      0.9899000      -1.467000       1.384000
  1 1 1       4  -26    5 o    2.880000      0.7683000       2.729000 1.088000       3.030000       1.085000     -0.3012000       1.537000
  1 1 1       4  -26    6 o    1.822000      0.6025000       1.609000 0.7843000       2.036000      0.9147000     -0.4269000       1.205000
  1 1 1       4  -26    7 o    1.917000      0.6146000       1.876000 0.8586000       1.958000      0.8796000     -0.8190000E-01   1.229000
  1 1 1       4  -26    8 o    2.466000      0.6547000       1.876000 0.8418000       3.056000       1.003000      -1.180000       1.309000
  1 1 1       4  -26    9 o    2.674000      0.6514000       3.260000 0.9430000       2.089000      0.8988000       1.170000       1.303000
  1 1 1       4  -26   10 o    4.610000      0.5266000       4.420000 0.7816000       4.800000      0.7059000     -0.3793000       1.053000
  1 1 1       4  -26   11 o    3.507000      0.6419000       3.886000 0.8768000       3.128000      0.9379000      0.7576000       1.284000
  1 1 1       4  -26   12 o    6.576000      0.4105000       7.070000 0.5714000       6.081000      0.5895000      0.9888000      0.8210000
  1 1 1       4  -26   13 f    2.846000      0.7754000       3.177000 0.9809000       2.514000       1.201000      0.6630000       1.551000
  1 1 1       4  -26   14 o    2.252000      0.6077000       1.745000 0.8165000       2.758000      0.9002000      -1.013000       1.215000
  1 1 1       4  -26   15 o    2.238000      0.6356000       1.855000 0.8632000       2.621000      0.9332000     -0.7654000       1.271000
  1 1 1       4  -26   16 o    2.359000      0.6560000       1.949000 0.9018000       2.769000      0.9529000     -0.8195000       1.312000
  1 1 1       4  -26   17 o    2.426000      0.6798000       2.058000 0.9363000       2.795000      0.9859000     -0.7372000       1.360000
  1 1 1       4  -26   18 o    3.008000      0.7817000       3.418000 1.223000       2.599000      0.9738000      0.8188000       1.563000
  1 1 1       4  -26   19 o    4.101000      0.6525000       3.321000 1.077000       4.881000      0.7362000      -1.560000       1.305000
  1 1 1       4  -26   20 o    2.684000      0.7219000       2.595000 1.054000       2.774000      0.9867000     -0.1796000       1.444000
  1 1 1       4  -26   21 o    1.959000      0.9243000       1.959000 0.9243000                  ?              ?              ?              ?
  1 1 1       4  -25    0 o    2.923000      0.7274000       3.311000 1.045000       2.535000       1.012000      0.7755000       1.455000
  1 1 1       4  -25    1 o    2.960000      0.7504000       3.030000 1.069000       2.891000       1.053000      0.1394000       1.501000
  1 1 1       4  -25    2 o    2.367000      0.7242000       2.620000 1.102000       2.113000      0.9396000      0.5066000       1.448000
  1 1 1       4  -25    3 o    4.156000      0.9791000       4.600000 1.338000       3.712000       1.430000      0.8880000       1.958000
  1 1 1       4  -25    4 o    4.693000      0.8813000       4.967000 1.141000       4.419000       1.343000      0.5479000       1.763000
  1 1 1       4  -25    5 o    2.367000      0.7540000       2.863000 1.195000       1.870000      0.9199000      0.9930000       1.508000
  1 1 1       4  -25    6 o    3.826000      0.8690000       4.053000 1.215000       3.599000       1.242000      0.4536000       1.738000
  1 1 1       4  -25    7 o    1.915000      0.6293000       1.804000 0.8496000       2.026000      0.9285000     -0.2214000       1.259000
  1 1 1       4  -25    8 o    4.818000      0.6083000       4.086000 0.9388000       5.549000      0.7737000      -1.463000       1.217000
  1 1 1       4  -25    9 o    4.207000      0.6241000       3.887000 0.8982000       4.528000      0.8668000     -0.6403000       1.248000
  1 1 1       4  -25   10 o    2.714000      0.6271000       2.162000 0.8869000       3.265000      0.8868000      -1.103000       1.254000
  1 1 1       4  -25   11 o    5.432000      0.3827000       5.029000 0.6015000       5.834000      0.4733000     -0.8043000      0.7654000
  1 1 1       4  -25   12 o    4.653000      0.5275000       3.908000 0.8915000       5.398000      0.5642000      -1.490000       1.055000
  1 1 1       4  -25   13 o    3.661000      0.5789000       4.104000 0.7696000       3.217000      0.8649000      0.8870000       1.158000
  1 1 1       4  -25   14 o    2.305000      0.5617000       1.549000 0.7281000       3.061000      0.8556000      -1.512000       1.123000
  1 1 1       4  -25   15 o    2.393000      0.6334000       2.617000 0.9529000       2.169000      0.8347000      0.4479000       1.267000
  1 1 1       4  -25   16 o    2.923000      0.6627000       3.417000 1.012000       2.430000      0.8561000      0.9865000       1.325000
  1 1 1       4  -25   17 o    2.632000      0.7034000       3.127000 1.106000       2.138000      0.8692000      0.9886000       1.407000
  1 1 1       4  -25   18 o    5.487000      0.5760000       6.083000 0.9027000       4.890000      0.7156000       1.193000       1.152000
  1 1 1       4  -25   19 o    2.536000      0.7352000       3.104000 1.197000       1.969000      0.8537000       1.135000       1.470000
  1 1 1       4  -25   20 o    3.309000      0.7538000       3.956000 1.157000       2.662000      0.9663000       1.293000       1.508000
  1 1 1       4  -25   21 o    2.381000      0.7335000       2.338000 1.067000       2.424000       1.007000     -0.8578000E-01   1.467000
  1 1 1       4  -25   22 o    3.277000      0.7885000       4.454000 1.261000       2.099000      0.9470000       2.355000       1.577000
  1 1 1       4  -24    0 f    3.019000      0.9972000       3.909000 1.695000       2.129000       1.050000       1.780000       1.994000
  1 1 1       4  -24    1 o    3.332000      0.7782000       3.638000 1.158000       3.026000       1.040000      0.6120000       1.556000
  1 1 1       4  -24    2 f    3.710000      0.8520000       3.550000 1.298000       3.870000       1.104000     -0.3206000       1.704000
  1 1 1       4  -24    3 o    5.498000      0.9989000       5.958000 1.592000       5.037000       1.207000      0.9216000       1.998000
  1 1 1       4  -24    4 o    3.094000      0.7471000       1.979000 0.9334000       4.208000       1.167000      -2.228000       1.494000
  1 1 1       4  -24    5 o    2.785000       1.070000       2.785000 1.070000                  ?              ?              ?              ?
  1 1 1       4  -24    6 o    3.052000      0.8005000       3.248000 1.125000       2.857000       1.139000      0.3912000       1.601000
  1 1 1       4  -24    7 o    2.480000       1.025000                  ?       ?   2.480000       1.025000                  ?              ?
  1 1 1       4  -24    8 o    8.260000      0.3579000       8.776000 0.4982000       7.745000      0.5140000       1.030000      0.7158000
  1 1 1       4  -24    9 f    3.902000      0.5584000       2.829000 0.8999000       4.975000      0.6613000      -2.146000       1.117000
  1 1 1       4  -24   10 o    4.224000      0.4944000       3.892000 0.7528000       4.556000      0.6412000     -0.6644000      0.9889000
  1 1 1       4  -24   11 o    8.012000      0.3043000       8.391000 0.4439000       7.634000      0.4162000      0.7568000      0.6085000
  1 1 1       4  -24   12 o    3.743000      0.5168000       3.555000 0.7826000       3.930000      0.6750000     -0.3749000       1.034000
  1 1 1       4  -24   13 o    6.263000      0.3447000       6.107000 0.5245000       6.418000      0.4472000     -0.3105000      0.6893000
  1 1 1       4  -24   14 o    5.818000      0.3710000       5.788000 0.5784000       5.848000      0.4648000     -0.6053000E-01  0.7420000
  1 1 1       4  -24   15 o    3.082000      0.5928000       2.624000 0.9368000       3.541000      0.7267000     -0.9175000       1.186000
  1 1 1       4  -24   16 o    2.531000      0.6528000       2.860000 1.005000       2.202000      0.8330000      0.6581000       1.306000
  1 1 1       4  -24   17 o    1.850000      0.5711000       2.202000 0.9117000       1.498000      0.6881000      0.7044000       1.142000
  1 1 1       4  -24   18 o    3.231000      0.5852000       2.454000 0.9559000       4.008000      0.6755000      -1.554000       1.170000
  1 1 1       4  -24   19 o    2.379000      0.6495000       2.425000 0.9874000       2.333000      0.8441000      0.9155000E-01   1.299000
  1 1 1       4  -24   20 o    3.599000      0.6955000       3.242000 1.107000       3.955000      0.8427000     -0.7126000       1.391000
  1 1 1       4  -24   21 o    3.246000      0.5796000       1.899000 0.8861000       4.593000      0.7473000      -2.694000       1.159000
  1 1 1       4  -24   22 o    3.176000      0.6896000       3.057000 1.043000       3.295000      0.9027000     -0.2382000       1.379000
  1 1 1       4  -24   23 o    3.226000      0.6691000       3.162000 0.9680000       3.291000      0.9238000     -0.1290000       1.338000
  1 1 1       4  -24   24 o    1.975000      0.6508000       1.954000 0.9314000       1.997000      0.9093000     -0.4375000E-01   1.302000
  1 1 1       4  -23    0 o    6.515000      0.4825000       6.698000 0.6989000       6.333000      0.6654000      0.3657000      0.9650000
  1 1 1       4  -23    1 o    7.393000      0.5108000       7.143000 0.7842000       7.643000      0.6549000     -0.5000000       1.022000
  1 1 1       4  -23    2 o    2.870000      0.8431000       2.938000 1.267000       2.801000       1.113000      0.1373000       1.686000
  1 1 1       4  -23    3 o    3.081000      0.8792000       3.391000 1.345000       2.771000       1.133000      0.6206000       1.758000
  1 1 1       4  -23    4 o    3.015000      0.7827000       3.810000 1.207000       2.220000      0.9968000       1.590000       1.565000
  1 1 1       4  -23    5 f    4.502000       1.028000       4.502000 1.028000                  ?              ?              ?              ?
  1 1 1       4  -23    6 o    2.364000      0.7200000       2.408000 0.9944000       2.321000       1.042000      0.8675000E-01   1.440000
  1 1 1       4  -23    7 o    3.382000       1.110000                  ?       ?   3.382000       1.110000                  ?              ?
  1 1 1       4  -23    8 o    2.472000      0.5883000       3.134000 0.8578000       1.811000      0.8055000       1.323000       1.177000
  1 1 1       4  -23    9 f    2.733000      0.5957000       2.043000 0.8290000       3.424000      0.8556000      -1.380000       1.191000
  1 1 1       4  -23   10 o    6.315000      0.3497000       6.421000 0.5039000       6.209000      0.4850000      0.2114000      0.6994000
  1 1 1       4  -23   11 o    3.274000      0.5108000       3.374000 0.7399000       3.175000      0.7044000      0.1988000       1.022000
  1 1 1       4  -23   12 f    2.293000      0.5497000       2.058000 0.7847000       2.529000      0.7701000     -0.4707000       1.099000
  1 1 1       4  -23   13 o    5.224000      0.3428000       5.387000 0.4997000       5.060000      0.4694000      0.3264000      0.6856000
  1 1 1       4  -23   14 o    2.790000      0.5461000       3.510000 0.7815000       2.070000      0.7631000       1.440000       1.092000
  1 1 1       4  -23   15 f    4.278000      0.5264000       3.543000 0.9320000       5.012000      0.4898000      -1.469000       1.053000
  1 1 1       4  -23   16 o    3.761000      0.5339000       3.269000 0.9134000       4.254000      0.5530000     -0.9846000       1.068000
  1 1 1       4  -23   17 o    2.944000      0.6005000       3.284000 0.9047000       2.603000      0.7900000      0.6816000       1.201000
  1 1 1       4  -23   18 o    4.344000      0.4899000       3.796000 0.8382000       4.893000      0.5075000      -1.097000      0.9798000
  1 1 1       4  -23   19 o    1.820000      0.5716000       2.002000 0.8749000       1.637000      0.7357000      0.3651000       1.143000
  1 1 1       4  -23   20 o    4.460000      0.5492000       4.271000 0.9134000       4.650000      0.6099000     -0.3792000       1.098000
  1 1 1       4  -23   21 o    3.807000      0.5976000       3.330000 1.006000       4.284000      0.6451000     -0.9546000       1.195000
  1 1 1       4  -23   22 o    2.065000      0.6141000       2.086000 0.8793000       2.043000      0.8575000      0.4295000E-01   1.228000
  1 1 1       4  -23   23 o    2.673000      0.6347000       2.262000 0.9010000       3.085000      0.8943000     -0.8224000       1.269000
  1 1 1       4  -23   24 o    2.850000      0.6437000       3.225000 0.9210000       2.476000      0.8994000      0.7483000       1.287000
  1 1 1       4  -23   25 o    2.336000      0.6378000       2.309000 0.9114000       2.364000      0.8924000     -0.5564000E-01   1.276000
  1 1 1       4  -22    0 o    3.831000      0.6466000       4.327000 0.8870000       3.335000      0.9409000      0.9916000       1.293000
  1 1 1       4  -22    1 o    3.690000      0.6789000       3.167000 1.094000       4.214000      0.8039000      -1.047000       1.358000
  1 1 1       4  -22    2 o    10.89000      0.4366000       10.37000 0.6351000       11.40000      0.5993000      -1.033000      0.8732000
  1 1 1       4  -22    3 o    6.422000      0.7680000       7.491000 0.8464000       5.352000       1.282000       2.139000       1.536000
  1 1 1       4  -22    4 o    4.476000      0.7659000       4.509000 1.122000       4.444000       1.043000      0.6589000E-01   1.532000
  1 1 1       4  -22    5 o    2.551000      0.7358000       2.875000 1.082000       2.227000      0.9973000      0.6482000       1.472000
  1 1 1       4  -22    6 o    3.781000      0.7943000       2.846000 1.088000       4.715000       1.158000      -1.869000       1.589000
  1 1 1       4  -22    7 o    7.007000      0.4443000       6.662000 0.6145000       7.352000      0.6420000     -0.6901000      0.8887000
  1 1 1       4  -22    8 o    7.185000      0.3395000       7.500000 0.4642000       6.871000      0.4955000      0.6290000      0.6790000
  1 1 1       4  -22    9 o    3.289000      0.5835000       3.070000 0.8190000       3.508000      0.8315000     -0.4381000       1.167000
  1 1 1       4  -22   10 o    11.42000      0.3025000       10.98000 0.4143000       11.86000      0.4410000     -0.8746000      0.6051000
  1 1 1       4  -22   11 o    4.369000      0.3754000       3.749000 0.5967000       4.989000      0.4556000      -1.239000      0.7507000
  1 1 1       4  -22   12 o    3.981000      0.3957000       3.830000 0.5710000       4.132000      0.5480000     -0.3023000      0.7914000
  1 1 1       4  -22   13 o    2.737000      0.5493000       2.678000 0.8239000       2.796000      0.7267000     -0.1176000       1.099000
  1 1 1       4  -22   14 o    1.982000      0.5118000       1.822000 0.7688000       2.142000      0.6757000     -0.3207000       1.024000
  1 1 1       4  -22   15 o    3.989000      0.4327000       4.426000 0.6586000       3.552000      0.5614000      0.8744000      0.8655000
  1 1 1       4  -22   16 o    3.097000      0.5557000       3.116000 0.8677000       3.078000      0.6946000      0.3786000E-01   1.111000
  1 1 1       4  -22   17 o    2.547000      0.5646000       3.201000 0.8636000       1.894000      0.7276000       1.306000       1.129000
  1 1 1       4  -22   18 o    2.692000      0.5851000       2.625000 0.9019000       2.759000      0.7457000     -0.1340000       1.170000
  1 1 1       4  -22   19 o    2.934000      0.6062000       2.836000 0.9440000       3.031000      0.7609000     -0.1948000       1.212000
  1 1 1       4  -22   20 o    2.476000      0.6130000       2.816000 0.9174000       2.137000      0.8133000      0.6785000       1.226000
  1 1 1       4  -22   21 o    1.493000      0.4979000       1.540000 0.7337000       1.447000      0.6732000      0.9304000E-01  0.9957000
  1 1 1       4  -22   22 o    1.908000      0.5685000       2.505000 0.9467000       1.312000      0.6295000       1.193000       1.137000
  1 1 1       4  -22   23 o    3.765000      0.5678000       3.302000 0.9428000       4.229000      0.6328000     -0.9275000       1.136000
  1 1 1       4  -22   24 o    2.428000      0.6322000       2.655000 0.9290000       2.201000      0.8576000      0.4540000       1.264000
  1 1 1       4  -22   25 o    3.953000      0.5328000       3.575000 0.8418000       4.330000      0.6534000     -0.7546000       1.066000
  1 1 1       4  -22   26 o    6.390000      0.3980000       6.861000 0.6037000       5.919000      0.5188000      0.9419000      0.7960000
  1 1 1       4  -21    0 o    6.121000      0.4427000       5.866000 0.6667000       6.377000      0.5826000     -0.5109000      0.8854000
  1 1 1       4  -21    1 o    5.339000      0.4956000       5.003000 0.7882000       5.676000      0.6009000     -0.6734000      0.9911000
  1 1 1       4  -21    2 o    4.745000      0.7268000       5.212000 1.033000       4.278000       1.023000      0.9342000       1.454000
  1 1 1       4  -21    3 o    10.81000      0.4242000       10.89000 0.6394000       10.72000      0.5575000      0.1689000      0.8483000
  1 1 1       4  -21    4 o    3.490000      0.8342000       3.732000 1.201000       3.249000       1.158000      0.4827000       1.668000
  1 1 1       4  -21    5 o    4.720000      0.6661000       3.936000 1.040000       5.504000      0.8327000      -1.568000       1.332000
  1 1 1       4  -21    6 o    7.938000      0.5073000       8.724000 0.5828000       7.151000      0.8306000       1.572000       1.015000
  1 1 1       4  -21    7 o    4.444000      0.6894000       4.477000 0.8827000       4.411000       1.059000      0.6697000E-01   1.379000
  1 1 1       4  -21    8 o    5.979000      0.3843000       6.024000 0.5135000       5.934000      0.5719000      0.8999000E-01  0.7686000
  1 1 1       4  -21    9 o    6.978000      0.3128000       6.731000 0.4423000       7.225000      0.4426000     -0.4936000      0.6257000
  1 1 1       4  -21   10 o    7.169000      0.3041000       6.942000 0.4297000       7.396000      0.4303000     -0.4540000      0.6081000
  1 1 1       4  -21   11 o    4.711000      0.3447000       4.421000 0.5118000       5.001000      0.4619000     -0.5798000      0.6894000
  1 1 1       4  -21   12 o    4.163000      0.3679000       3.982000 0.5496000       4.345000      0.4893000     -0.3626000      0.7359000
  1 1 1       4  -21   13 o    2.371000      0.5015000       2.072000 0.7587000       2.671000      0.6562000     -0.5990000       1.003000
  1 1 1       4  -21   14 o    5.765000      0.3362000       5.018000 0.5773000       6.513000      0.3447000      -1.495000      0.6724000
  1 1 1       4  -21   15 o    2.330000      0.5019000       2.000000 0.7829000       2.659000      0.6281000     -0.6584000       1.004000
  1 1 1       4  -21   16 o    2.653000      0.5500000       2.565000 0.8634000       2.742000      0.6814000     -0.1769000       1.100000
  1 1 1       4  -21   17 o    3.277000      0.5097000       3.139000 0.8635000       3.414000      0.5417000     -0.2747000       1.019000
  1 1 1       4  -21   18 o    2.027000      0.5585000       2.616000 0.9107000       1.439000      0.6469000       1.177000       1.117000
  1 1 1       4  -21   19 o    4.724000      0.3777000       4.944000 0.5645000       4.503000      0.5020000      0.4405000      0.7554000
  1 1 1       4  -21   20 o    6.866000      0.3856000       6.582000 0.6834000       7.150000      0.3575000     -0.5681000      0.7712000
  1 1 1       4  -21   21 o    4.343000      0.4212000       4.789000 0.5789000       3.897000      0.6120000      0.8918000      0.8424000
  1 1 1       4  -21   22 f    5.452000      0.3705000       5.156000 0.5912000       5.747000      0.4466000     -0.5916000      0.7409000
  1 1 1       4  -21   23 o    2.022000      0.5057000       1.355000 0.6553000       2.689000      0.7704000      -1.334000       1.011000
  1 1 1       4  -21   24 o    1.510000      0.4981000       1.562000 0.7243000       1.458000      0.6841000      0.1039000      0.9962000
  1 1 1       4  -21   25 o    3.982000      0.4955000       4.257000 0.6832000       3.708000      0.7177000      0.5488000      0.9909000
  1 1 1       4  -21   26 o    4.705000      0.4329000       4.918000 0.5863000       4.491000      0.6371000      0.4276000      0.8658000
  1 1 1       4  -21   27 o    2.046000      0.5854000       1.821000 0.7936000       2.270000      0.8608000     -0.4488000       1.171000
  1 1 1       4  -20    0 o    3.231000      0.6190000       2.974000 0.9000000       3.488000      0.8499000     -0.5141000       1.238000
  1 1 1       4  -20    1 o    5.131000      0.4597000       4.539000 0.7595000       5.723000      0.5182000      -1.184000      0.9194000
  1 1 1       4  -20    2 o    4.301000      0.6773000       4.388000 1.018000       4.214000      0.8931000      0.1740000       1.355000
  1 1 1       4  -20    3 o    2.093000      0.6809000       2.169000 1.004000       2.018000      0.9195000      0.1516000       1.362000
  1 1 1       4  -20    4 o    3.172000      0.8688000       3.409000 1.344000       2.934000       1.101000      0.4753000       1.738000
  1 1 1       4  -20    5 o    7.254000      0.4434000       6.521000 0.6578000       7.986000      0.5948000      -1.465000      0.8868000
  1 1 1       4  -20    6 o    8.490000      0.5605000       8.490000 0.5605000                  ?              ?              ?              ?
  1 1 1       4  -20    7 o    5.984000      0.4976000       6.397000 0.5738000       5.571000      0.8131000      0.8258000      0.9951000
  1 1 1       4  -20    8 o    3.221000      0.8717000                  ?       ?   3.221000      0.8717000                  ?              ?
  1 1 1       4  -20    9 o    5.644000      0.3400000       5.970000 0.4425000       5.318000      0.5163000      0.6520000      0.6800000
  1 1 1       4  -20   10 o    9.052000      0.2679000       8.841000 0.3729000       9.262000      0.3848000     -0.4211000      0.5358000
  1 1 1       4  -20   11 o    2.424000      0.4998000       2.718000 0.6962000       2.131000      0.7173000      0.5874000      0.9996000
  1 1 1       4  -20   12 o    8.988000      0.2469000       8.947000 0.3570000       9.029000      0.3412000     -0.8135000E-01  0.4939000
  1 1 1       4  -20   13 o    2.299000      0.5027000       2.080000 0.7468000       2.519000      0.6733000     -0.4389000       1.005000
  1 1 1       4  -20   14 o    6.069000      0.2817000       5.778000 0.4470000       6.360000      0.3428000     -0.5822000      0.5633000
  1 1 1       4  -20   15 o    3.801000      0.4002000       3.553000 0.6817000       4.049000      0.4196000     -0.4959000      0.8005000
  1 1 1       4  -20   16 o    1.862000      0.5208000       1.875000 0.7889000       1.848000      0.6801000      0.2680000E-01   1.042000
  1 1 1       4  -20   17 o    1.895000      0.5319000       2.032000 0.8140000       1.759000      0.6850000      0.2734000       1.064000
  1 1 1       4  -20   18 o    4.111000      0.4031000       3.807000 0.6810000       4.415000      0.4316000     -0.6082000      0.8063000
  1 1 1       4  -20   19 o    5.638000      0.3125000       5.318000 0.5092000       5.959000      0.3625000     -0.6409000      0.6250000
  1 1 1       4  -20   20 f    5.231000      0.3504000       4.764000 0.5897000       5.698000      0.3787000     -0.9331000      0.7008000
  1 1 1       4  -20   21 o    3.844000      0.4267000       3.646000 0.7064000       4.042000      0.4790000     -0.3956000      0.8535000
  1 1 1       4  -20   22 o    2.368000      0.5700000       2.157000 0.8333000       2.579000      0.7779000     -0.4217000       1.140000
  1 1 1       4  -20   23 o    2.279000      0.5517000       2.309000 0.8193000       2.248000      0.7391000      0.6184000E-01   1.103000
  1 1 1       4  -20   24 o    2.087000      0.5538000       1.924000 0.7838000       2.250000      0.7825000     -0.3258000       1.108000
  1 1 1       4  -20   25 f    9.829000      0.2870000       10.09000 0.4534000       9.564000      0.3518000      0.5300000      0.5739000
  1 1 1       4  -20   26 o    2.645000      0.5659000       3.356000 0.8046000       1.934000      0.7960000       1.422000       1.132000
  1 1 1       4  -20   27 o    1.988000      0.5790000       2.052000 0.8300000       1.925000      0.8076000      0.1265000       1.158000
  1 1 1       4  -20   28 o    3.635000      0.5548000       4.183000 0.6948000       3.087000      0.8652000       1.096000       1.110000
  1 1 1       4  -19    0 o    6.097000      0.3358000       6.453000 0.4720000       5.742000      0.4779000      0.7111000      0.6717000
  1 1 1       4  -19    1 o    3.139000      0.6073000       2.952000 0.8864000       3.326000      0.8303000     -0.3744000       1.215000
  1 1 1       4  -19    2 o    5.095000      0.5472000       5.417000 0.7993000       4.773000      0.7476000      0.6441000       1.094000
  1 1 1       4  -19    3 o    4.419000      0.7110000       3.684000 1.160000       5.154000      0.8221000      -1.470000       1.422000
  1 1 1       4  -19    4 o    3.113000      0.7332000       3.678000 1.087000       2.548000      0.9845000       1.130000       1.466000
  1 1 1       4  -19    5 o    7.847000      0.3939000       7.935000 0.5246000       7.759000      0.5877000      0.1767000      0.7878000
  1 1 1       4  -19    6 o    4.157000      0.9234000       4.157000 0.9234000                  ?              ?              ?              ?
  1 1 1       4  -19    7 o    3.005000      0.6972000       2.539000 0.9112000       3.470000       1.055000     -0.9307000       1.394000
  1 1 1       4  -19    8 o    5.850000      0.5379000                  ?       ?   5.850000      0.5379000                  ?              ?
  1 1 1       4  -19    9 o    8.812000      0.2834000       8.348000 0.3822000       9.276000      0.4186000     -0.9283000      0.5668000
  1 1 1       4  -19   10 o    8.842000      0.2641000       9.158000 0.3765000       8.526000      0.3704000      0.6314000      0.5281000
  1 1 1       4  -19   11 o    2.999000      0.4203000       2.742000 0.6561000       3.256000      0.5256000     -0.5145000      0.8407000
  1 1 1       4  -19   12 o    6.401000      0.2476000       6.154000 0.3701000       6.648000      0.3291000     -0.4936000      0.4953000
  1 1 1       4  -19   13 o    10.09000      0.2518000       10.33000 0.3818000       9.858000      0.3285000      0.4746000      0.5037000
  1 1 1       4  -19   14 o    4.161000      0.3448000       4.124000 0.5508000       4.197000      0.4149000     -0.7306000E-01  0.6896000
  1 1 1       4  -19   15 f    6.455000      0.2693000       6.563000 0.4343000       6.347000      0.3186000      0.2158000      0.5386000
  1 1 1       4  -19   16 o    4.332000      0.3442000       4.558000 0.5578000       4.107000      0.4035000      0.4513000      0.6885000
  1 1 1       4  -19   17 o    2.174000      0.5179000       2.798000 0.8182000       1.551000      0.6351000       1.247000       1.036000
  1 1 1       4  -19   18 o    2.356000      0.5178000       2.491000 0.7826000       2.221000      0.6781000      0.2698000       1.036000
  1 1 1       4  -19   19 o    3.477000      0.4371000       3.564000 0.6890000       3.389000      0.5381000      0.1746000      0.8742000
  1 1 1       4  -19   20 o    2.561000      0.5247000       3.037000 0.7614000       2.085000      0.7220000      0.9528000       1.049000
  1 1 1       4  -19   21 o    4.131000      0.3616000       4.382000 0.5437000       3.879000      0.4768000      0.5034000      0.7232000
  1 1 1       4  -19   22 o    3.927000      0.4016000       3.201000 0.6848000       4.652000      0.4197000      -1.451000      0.8032000
  1 1 1       4  -19   23 o    5.495000      0.2809000       5.609000 0.4067000       5.381000      0.3876000      0.2276000      0.5618000
  1 1 1       4  -19   24 o    4.587000      0.3457000       4.787000 0.5034000       4.387000      0.4740000      0.3998000      0.6914000
  1 1 1       4  -19   25 o    8.306000      0.2545000       8.372000 0.3716000       8.239000      0.3479000      0.1325000      0.5090000
  1 1 1       4  -19   26 o    4.232000      0.4239000       4.325000 0.5882000       4.139000      0.6106000      0.1859000      0.8479000
  1 1 1       4  -19   27 o    2.202000      0.5712000       2.001000 0.7937000       2.403000      0.8215000     -0.4026000       1.142000
  1 1 1       4  -19   28 o    4.541000      0.4369000       4.539000 0.6122000       4.544000      0.6235000     -0.5844000E-02  0.8738000
  1 1 1       4  -19   29 o    1.989000      0.5796000       1.988000 0.8116000       1.990000      0.8277000     -0.1835000E-02   1.159000
  1 1 1       4  -18    0 o    9.893000      0.2863000       9.951000 0.3901000       9.835000      0.4191000      0.1164000      0.5725000
  1 1 1       4  -18    1 o    1.975000      0.5656000       1.933000 0.8090000       2.017000      0.7906000     -0.8419000E-01   1.131000
  1 1 1       4  -18    2 o    2.859000      0.6609000       2.275000 0.9629000       3.444000      0.9057000      -1.169000       1.322000
  1 1 1       4  -18    3 o    6.370000      0.5780000       7.188000 0.9355000       5.553000      0.6792000       1.635000       1.156000
  1 1 1       4  -18    4 o    9.112000      0.4704000       8.343000 0.7779000       9.881000      0.5292000      -1.538000      0.9408000
  1 1 1       4  -18    5 o    3.382000      0.8515000       3.153000 1.271000       3.612000       1.134000     -0.4591000       1.703000
  1 1 1       4  -18    6 o    3.360000       1.003000       3.211000 1.476000       3.509000       1.358000     -0.2971000       2.006000
  1 1 1       4  -18    7 o    6.248000      0.9882000       4.003000 1.695000       8.492000       1.016000      -4.490000       1.976000
  1 1 1       4  -18    9 o    4.360000       1.978000       4.360000 1.978000                  ?              ?              ?              ?
  1 1 1       4  -18   10 o    5.525000       1.362000       5.706000 2.339000       5.344000       1.399000      0.3613000       2.725000
  1 1 1       4  -18   11 o    4.814000       1.360000       7.036000 2.443000       2.592000       1.195000       4.444000       2.720000
  1 1 1       4  -18   12 o    5.384000       1.075000       4.423000 1.824000       6.344000       1.139000      -1.921000       2.150000
  1 1 1       4  -18   13 o    5.288000      0.9363000       4.855000 1.634000       5.722000      0.9152000     -0.8671000       1.873000
  1 1 1       4  -18   14 o    4.930000      0.9404000       5.374000 1.589000       4.485000       1.006000      0.8891000       1.881000
  1 1 1       4  -18   15 o    4.771000      0.8999000       4.767000 1.505000       4.774000      0.9877000     -0.6886000E-02   1.800000
  1 1 1       4  -18   16 o    8.836000      0.4507000       8.527000 0.7379000       9.146000      0.5177000     -0.6188000      0.9014000
  1 1 1       4  -18   17 o    5.703000      0.4019000       5.264000 0.6491000       6.143000      0.4741000     -0.8790000      0.8038000
  1 1 1       4  -18   18 f    6.492000      0.3517000       6.995000 0.5268000       5.989000      0.4661000       1.006000      0.7034000
  1 1 1       4  -18   19 o    8.955000      0.3143000       9.223000 0.4668000       8.688000      0.4209000      0.5359000      0.6286000
  1 1 1       4  -18   20 o    3.058000      0.5746000       3.002000 0.8269000       3.114000      0.7982000     -0.1120000       1.149000
  1 1 1       4  -18   21 o    6.297000      0.2929000       6.384000 0.4243000       6.209000      0.4040000      0.1749000      0.5859000
  1 1 1       4  -18   22 o    3.296000      0.3987000       3.639000 0.5304000       2.953000      0.5954000      0.6861000      0.7975000
  1 1 1       4  -18   23 o    2.097000      0.5016000       2.017000 0.7293000       2.178000      0.6888000     -0.1610000       1.003000
  1 1 1       4  -18   24 o    2.870000      0.4855000       3.004000 0.6868000       2.735000      0.6865000      0.2697000      0.9711000
  1 1 1       4  -18   25 o    10.82000      0.2275000       10.73000 0.3312000       10.90000      0.3119000     -0.1751000      0.4549000
  1 1 1       4  -18   26 o    2.966000      0.5248000       3.357000 0.6856000       2.575000      0.7948000      0.7824000       1.050000
  1 1 1       4  -18   27 o    3.929000      0.4604000       3.041000 0.7654000       4.817000      0.5118000      -1.776000      0.9207000
  1 1 1       4  -18   28 o    4.213000      0.4441000       4.583000 0.5854000       3.843000      0.6680000      0.7402000      0.8882000
  1 1 1       4  -18   29 o    6.109000      0.3426000       6.510000 0.4430000       5.707000      0.5226000      0.8037000      0.6851000
  1 1 1       4  -18   30 o    2.507000      0.6023000       2.760000 0.8680000       2.253000      0.8352000      0.5074000       1.205000
  1 1 1       4  -17    0 o    8.858000      0.2952000       8.761000 0.4245000       8.955000      0.4104000     -0.1937000      0.5904000
  1 1 1       4  -17    1 o    5.924000      0.3573000       5.671000 0.5403000       6.177000      0.4676000     -0.5067000      0.7145000
  1 1 1       4  -17    2 o    2.693000      0.6519000       2.551000 0.9901000       2.836000      0.8482000     -0.2853000       1.304000
  1 1 1       4  -17    3 o    7.852000      0.4266000       7.886000 0.6333000       7.818000      0.5719000      0.6783000E-01  0.8533000
  1 1 1       4  -17    4 o    4.729000      0.5843000       4.809000 0.9571000       4.649000      0.6703000      0.1597000       1.169000
  1 1 1       4  -17    5 o    2.559000      0.6882000       2.735000 0.9897000       2.382000      0.9567000      0.3535000       1.376000
  1 1 1       4  -17    6 o    2.771000      0.7099000       2.885000 0.9093000       2.657000       1.090000      0.2282000       1.420000
  1 1 1       4  -17    7 o    5.282000      0.5021000       5.402000 0.5789000       5.162000      0.8204000      0.2394000       1.004000
  1 1 1       4  -17    8 o    4.008000      0.4620000       4.882000 0.4658000       3.133000      0.7980000       1.749000      0.9240000
  1 1 1       4  -17    9 o    5.025000      0.3324000       4.871000 0.4447000       5.179000      0.4941000     -0.3073000      0.6648000
  1 1 1       4  -17   10 o    5.817000      0.2616000       5.820000 0.3693000       5.815000      0.3706000      0.5551000E-02  0.5231000
  1 1 1       4  -17   11 o    4.240000      0.2908000       3.995000 0.4383000       4.485000      0.3823000     -0.4901000      0.5816000
  1 1 1       4  -17   12 o    9.555000      0.2439000       9.813000 0.3499000       9.298000      0.3399000      0.5151000      0.4877000
  1 1 1       4  -17   13 o    1.516000      0.4446000       1.688000 0.6884000       1.345000      0.5629000      0.3429000      0.8892000
  1 1 1       4  -17   14 o    4.931000      0.2788000       4.695000 0.4617000       5.166000      0.3126000     -0.4712000      0.5576000
  1 1 1       4  -17   15 o    4.356000      0.3318000       3.894000 0.5720000       4.818000      0.3366000     -0.9237000      0.6637000
  1 1 1       4  -17   16 f    10.85000      0.2473000       10.81000 0.4072000       10.90000      0.2806000     -0.9183000E-01  0.4945000
  1 1 1       4  -17   17 o    3.469000      0.3733000       3.218000 0.6235000       3.720000      0.4108000     -0.5022000      0.7466000
  1 1 1       4  -17   18 o    11.45000      0.2101000       11.62000 0.3147000       11.28000      0.2785000      0.3389000      0.4203000
  1 1 1       4  -17   19 o    10.85000      0.2056000       10.59000 0.3049000       11.10000      0.2759000     -0.5087000      0.4112000
  1 1 1       4  -17   20 o    2.604000      0.4084000       2.830000 0.5736000       2.379000      0.5816000      0.4511000      0.8168000
  1 1 1       4  -17   21 o    2.762000      0.3967000       3.551000 0.4827000       1.973000      0.6297000       1.579000      0.7934000
  1 1 1       4  -17   22 o    6.038000      0.2243000       6.354000 0.3329000       5.722000      0.3007000      0.6313000      0.4485000
  1 1 1       4  -17   23 o    7.550000      0.2648000       7.220000 0.3688000       7.880000      0.3802000     -0.6604000      0.5297000
  1 1 1       4  -17   24 o    1.934000      0.5245000       2.072000 0.7231000       1.795000      0.7599000      0.2773000       1.049000
  1 1 1       4  -17   25 o    6.574000      0.3047000       6.682000 0.4034000       6.466000      0.4568000      0.2157000      0.6095000
  1 1 1       4  -17   26 o    6.717000      0.3149000       6.728000 0.4129000       6.705000      0.4756000      0.2350000E-01  0.6298000
  1 1 1       4  -17   27 f    2.365000      0.5049000       3.110000 0.7162000       1.620000      0.7119000       1.490000       1.010000
  1 1 1       4  -17   28 o    1.815000      0.5354000       1.978000 0.7785000       1.651000      0.7354000      0.3272000       1.071000
  1 1 1       4  -17   29 o    4.344000      0.4122000       4.131000 0.6063000       4.557000      0.5587000     -0.4261000      0.8245000
  1 1 1       4  -17   30 o    2.999000      0.5666000       2.896000 0.7892000       3.102000      0.8133000     -0.2068000       1.133000
  1 1 1       4  -17   31 o    2.192000      0.5980000       2.281000 0.8487000       2.103000      0.8428000      0.1778000       1.196000
  1 1 1       4  -16    0 o    8.336000      0.2819000       8.466000 0.3982000       8.206000      0.3992000      0.2602000      0.5639000
  1 1 1       4  -16    1 o    4.146000       1.092000       2.346000 1.107000       5.946000       1.882000      -3.601000       2.184000
  1 1 1       4  -16    3 o    3.632000       1.004000       2.685000 1.203000       4.580000       1.609000      -1.894000       2.009000
  1 1 1       4  -16    4 o    3.848000      0.9784000       3.763000 1.330000       3.932000       1.436000     -0.1683000       1.957000
  1 1 1       4  -16    5 o    2.328000      0.7317000       2.205000 0.9666000       2.450000       1.099000     -0.2445000       1.463000
  1 1 1       4  -16    6 o    2.406000      0.7359000       2.203000 0.8957000       2.609000       1.168000     -0.4063000       1.472000
  1 1 1       4  -16    8 o    1.522000      0.4739000       1.465000 0.6466000       1.579000      0.6931000     -0.1143000      0.9479000
  1 1 1       4  -16    9 o    5.733000      0.4087000                  ?       ?   5.733000      0.4087000                  ?              ?
  1 1 1       4  -16   10 o    3.373000      0.3444000       3.084000 0.5315000       3.662000      0.4380000     -0.5784000      0.6888000
  1 1 1       4  -16   11 o    4.260000      0.2570000       4.156000 0.3704000       4.364000      0.3563000     -0.2080000      0.5140000
  1 1 1       4  -16   12 o    3.498000      0.3318000       3.323000 0.5243000       3.672000      0.4069000     -0.3494000      0.6637000
  1 1 1       4  -16   13 o    3.986000      0.2881000       4.029000 0.4474000       3.943000      0.3632000      0.8626000E-01  0.5762000
  1 1 1       4  -16   14 o    7.249000      0.2185000       6.812000 0.3377000       7.686000      0.2772000     -0.8740000      0.4369000
  1 1 1       4  -16   15 o    6.086000      0.2269000       6.173000 0.3623000       5.999000      0.2734000      0.1740000      0.4539000
  1 1 1       4  -16   16 o    1.755000      0.4783000       1.664000 0.7195000       1.846000      0.6305000     -0.1815000      0.9567000
  1 1 1       4  -16   17 o    14.02000      0.3165000       13.82000 0.4594000       14.22000      0.4355000     -0.4002000      0.6330000
  1 1 1       4  -16   18 o    3.488000      0.4963000       3.006000 0.8449000       3.970000      0.5210000     -0.9642000      0.9926000
  1 1 1       4  -16   19 o    9.463000      0.2915000       9.454000 0.4404000       9.472000      0.3821000     -0.1786000E-01  0.5830000
  1 1 1       4  -16   20 o    7.625000      0.3235000       7.616000 0.5189000       7.634000      0.3864000     -0.1770000E-01  0.6469000
  1 1 1       4  -16   21 o    2.032000      0.5875000       2.414000 0.9372000       1.649000      0.7087000      0.7649000       1.175000
  1 1 1       4  -16   22 o    2.523000      0.6309000       2.677000 0.9888000       2.368000      0.7837000      0.3092000       1.262000
  1 1 1       4  -16   23 o    2.028000      0.4148000       2.700000 0.5777000       1.356000      0.5952000       1.344000      0.8295000
  1 1 1       4  -16   24 o    3.046000      0.4001000       3.335000 0.5026000       2.758000      0.6226000      0.5765000      0.8002000
  1 1 1       4  -16   25 o    3.016000      0.4247000       2.918000 0.6084000       3.114000      0.5926000     -0.1956000      0.8493000
  1 1 1       4  -16   26 o    3.200000      0.4431000       3.585000 0.5404000       2.816000      0.7024000      0.7689000      0.8863000
  1 1 1       4  -16   27 o    5.610000      0.3573000       5.873000 0.4292000       5.346000      0.5713000      0.5269000      0.7146000
  1 1 1       4  -16   28 o    5.236000      0.4158000       5.138000 0.5372000       5.335000      0.6348000     -0.1963000      0.8316000
  1 1 1       4  -16   29 o    7.104000      0.3709000       7.108000 0.4809000       7.099000      0.5648000      0.9690000E-02  0.7418000
  1 1 1       4  -16   30 o    4.783000      0.4351000       5.261000 0.5974000       4.305000      0.6328000      0.9569000      0.8702000
  1 1 1       4  -16   31 o    2.690000      0.6049000       2.824000 0.8655000       2.556000      0.8452000      0.2680000       1.210000
  1 1 1       4  -16   32 o    2.400000      0.5980000       2.810000 0.8680000       1.990000      0.8229000      0.8205000       1.196000
  1 1 1       4  -15    0 o    9.599000      0.2653000       9.533000 0.3600000       9.666000      0.3897000     -0.1337000      0.5305000
  1 1 1       4  -15    1 o    2.425000      0.5511000       2.437000 0.7996000       2.413000      0.7587000      0.2412000E-01   1.102000
  1 1 1       4  -15    2 o    9.662000      0.2956000       9.497000 0.4310000       9.826000      0.4045000     -0.3287000      0.5911000
  1 1 1       4  -15    3 o    3.127000      0.7093000       3.079000 1.086000       3.176000      0.9125000     -0.9720000E-01   1.419000
  1 1 1       4  -15    4 f    2.501000      0.6900000       2.434000 1.007000       2.568000      0.9431000     -0.1340000       1.380000
  1 1 1       4  -15    5 o    3.898000      0.9277000       3.504000 1.519000       4.292000       1.066000     -0.7881000       1.855000
  1 1 1       4  -15    6 o    3.720000      0.6729000       4.462000 0.7859000       2.978000       1.092000       1.484000       1.346000
  1 1 1       4  -15    7 o    5.234000      0.5653000       5.234000 0.5653000                  ?              ?              ?              ?
  1 1 1       4  -15    8 o    2.502000      0.4928000       2.942000 0.6148000       2.062000      0.7703000      0.8800000      0.9855000
  1 1 1       4  -15    9 o    5.329000      0.4012000                  ?       ?   5.329000      0.4012000                  ?              ?
  1 1 1       4  -15   10 o    4.095000      0.2571000       4.179000 0.3639000       4.010000      0.3633000      0.1691000      0.5142000
  1 1 1       4  -15   11 o    2.067000      0.4172000       2.123000 0.6156000       2.012000      0.5633000      0.1105000      0.8344000
  1 1 1       4  -15   12 o    2.053000      0.4149000       1.794000 0.6416000       2.312000      0.5262000     -0.5181000      0.8298000
  1 1 1       4  -15   13 o    11.60000      0.2218000       11.40000 0.3348000       11.79000      0.2911000     -0.3974000      0.4437000
  1 1 1       4  -15   14 o    6.325000      0.2132000       6.524000 0.3377000       6.126000      0.2603000      0.3981000      0.4264000
  1 1 1       4  -15   15 o    5.248000      0.2151000       5.262000 0.3364000       5.234000      0.2683000      0.2806000E-01  0.4303000
  1 1 1       4  -15   16 o    4.820000      0.2456000       4.589000 0.3985000       5.052000      0.2871000     -0.4631000      0.4912000
  1 1 1       4  -15   17 o    8.172000      0.1846000       7.855000 0.2728000       8.490000      0.2488000     -0.6347000      0.3692000
  1 1 1       4  -15   18 o    5.133000      0.2073000       5.508000 0.3011000       4.758000      0.2851000      0.7493000      0.4147000
  1 1 1       4  -15   19 o    3.097000      0.3271000       2.774000 0.5215000       3.420000      0.3948000     -0.6459000      0.6541000
  1 1 1       4  -15   20 o    4.906000      0.2247000       4.543000 0.3474000       5.269000      0.2853000     -0.7264000      0.4495000
  1 1 1       4  -15   21 o    1.451000      0.4093000       1.211000 0.5428000       1.691000      0.6129000     -0.4798000      0.8187000
  1 1 1       4  -15   22 o    2.641000      0.3787000       1.925000 0.6137000       3.356000      0.4439000      -1.431000      0.7574000
  1 1 1       4  -15   23 o    2.322000      0.6136000       2.206000 0.9358000       2.438000      0.7941000     -0.2317000       1.227000
  1 1 1       4  -15   24 o    1.796000      0.5779000       1.996000 0.9037000       1.597000      0.7206000      0.3993000       1.156000
  1 1 1       4  -15   25 o    3.141000      0.6661000       3.897000 1.024000       2.385000      0.8523000       1.512000       1.332000
  1 1 1       4  -15   26 o    2.484000      0.6660000       3.209000 1.086000       1.759000      0.7716000       1.450000       1.332000
  1 1 1       4  -15   27 o    3.538000      0.3927000       3.604000 0.5154000       3.471000      0.5926000      0.1335000      0.7853000
  1 1 1       4  -15   28 o    3.765000      0.4143000       4.133000 0.4970000       3.397000      0.6630000      0.7363000      0.8286000
  1 1 1       4  -15   29 o    4.343000      0.3944000       4.443000 0.5229000       4.242000      0.5906000      0.2012000      0.7888000
  1 1 1       4  -15   30 f    3.042000      0.6759000       2.568000 0.9054000       3.516000       1.004000     -0.9475000       1.352000
  1 1 1       4  -15   31 o    3.554000      0.6550000       2.969000 0.9181000       4.139000      0.9344000      -1.171000       1.310000
  1 1 1       4  -15   32 o    2.197000      0.6490000       1.839000 0.8281000       2.556000      0.9994000     -0.7170000       1.298000
  1 1 1       4  -14    0 o    3.193000      0.4607000       3.069000 0.6636000       3.317000      0.6393000     -0.2482000      0.9214000
  1 1 1       4  -14    1 f    5.032000      0.3177000       5.029000 0.4809000       5.035000      0.4154000     -0.5601000E-02  0.6354000
  1 1 1       4  -14    2 o    5.865000      0.3415000       6.045000 0.5212000       5.685000      0.4413000      0.3597000      0.6829000
  1 1 1       4  -14    3 o    8.096000      0.3494000       7.961000 0.5384000       8.230000      0.4456000     -0.2688000      0.6989000
  1 1 1       4  -14    4 o    4.381000      0.5824000       4.315000 0.8985000       4.447000      0.7411000     -0.1321000       1.165000
  1 1 1       4  -14    5 o    3.467000      0.7913000       3.075000 1.125000       3.860000       1.113000     -0.7852000       1.583000
  1 1 1       4  -14    6 o    5.024000      0.5247000       4.826000 0.6292000       5.222000      0.8399000     -0.3961000       1.049000
  1 1 1       4  -14    7 o    6.491000      0.4047000       6.887000 0.4553000       6.095000      0.6693000      0.7926000      0.8095000
  1 1 1       4  -14    8 o    5.541000      0.2582000       5.832000 0.3348000       5.250000      0.3931000      0.5821000      0.5164000
  1 1 1       4  -14    9 o    1.339000      0.4175000       1.384000 0.5932000       1.293000      0.5877000      0.9112000E-01  0.8350000
  1 1 1       4  -14   10 o    2.099000      0.3863000       2.630000 0.5155000       1.567000      0.5756000       1.063000      0.7727000
  1 1 1       4  -14   11 o    2.909000      0.2961000       3.020000 0.4027000       2.798000      0.4342000      0.2221000      0.5922000
  1 1 1       4  -14   12 f    5.720000      0.1966000       5.863000 0.2967000       5.577000      0.2579000      0.2863000      0.3931000
  1 1 1       4  -14   13 o    12.37000      0.2138000       12.04000 0.3162000       12.69000      0.2878000     -0.6520000      0.4276000
  1 1 1       4  -14   14 o    4.666000      0.2192000       4.659000 0.3468000       4.673000      0.2682000     -0.1321000E-01  0.4384000
  1 1 1       4  -14   15 o    5.737000      0.1930000       5.688000 0.3084000       5.786000      0.2320000     -0.9824000E-01  0.3859000
  1 1 1       4  -14   16 o    6.201000      0.1859000       5.855000 0.2836000       6.548000      0.2404000     -0.6932000      0.3718000
  1 1 1       4  -14   17 o    2.204000      0.3725000       1.973000 0.5777000       2.436000      0.4704000     -0.4627000      0.7450000
  1 1 1       4  -14   18 o    7.622000      0.1714000       7.544000 0.2544000       7.700000      0.2298000     -0.1566000      0.3428000
  1 1 1       4  -14   19 o    10.81000      0.1873000       10.97000 0.2724000       10.65000      0.2571000      0.3204000      0.3746000
  1 1 1       4  -14   20 o    10.37000      0.1884000       10.03000 0.2685000       10.70000      0.2644000     -0.6739000      0.3768000
  1 1 1       4  -14   21 o    7.483000      0.1817000       7.683000 0.2578000       7.282000      0.2561000      0.4014000      0.3634000
  1 1 1       4  -14   22 o    8.369000      0.1867000       8.255000 0.2681000       8.483000      0.2598000     -0.2287000      0.3733000
  1 1 1       4  -14   23 o    1.702000      0.4402000       1.636000 0.6013000       1.768000      0.6432000     -0.1312000      0.8805000
  1 1 1       4  -14   24 o    2.545000      0.4216000       2.488000 0.5476000       2.602000      0.6413000     -0.1147000      0.8433000
  1 1 1       4  -14   25 o    4.154000      0.2795000       4.260000 0.3570000       4.048000      0.4302000      0.2120000      0.5590000
  1 1 1       4  -14   26 o    1.264000      0.4078000       1.033000 0.4945000       1.495000      0.6486000     -0.4612000      0.8156000
  1 1 1       4  -14   27 o    11.71000      0.3760000       11.03000 0.5858000       12.40000      0.4716000      -1.371000      0.7520000
  1 1 1       4  -14   28 o    3.868000      0.7153000       4.428000 1.130000       3.308000      0.8773000       1.120000       1.431000
  1 1 1       4  -14   29 o    3.286000      0.4508000       3.521000 0.5728000       3.051000      0.6963000      0.4708000      0.9016000
  1 1 1       4  -14   30 o    5.002000      0.3478000       4.909000 0.4688000       5.095000      0.5139000     -0.1856000      0.6957000
  1 1 1       4  -14   31 o    4.057000      0.4528000       4.148000 0.5938000       3.966000      0.6837000      0.1826000      0.9056000
  1 1 1       4  -14   32 o    3.377000      0.5900000       2.273000 0.7838000       4.481000      0.8820000      -2.208000       1.180000
  1 1 1       4  -14   33 o    2.118000      0.6324000       1.941000 0.8373000       2.295000      0.9480000     -0.3542000       1.265000
  1 1 1       4  -13    0 o    7.197000      0.2258000       7.203000 0.3077000       7.192000      0.3306000      0.1113000E-01  0.4516000
  1 1 1       4  -13    1 o    7.198000      0.2495000       7.228000 0.3574000       7.169000      0.3482000      0.5828000E-01  0.4989000
  1 1 1       4  -13    2 o    2.469000      0.5187000       3.240000 0.7804000       1.697000      0.6836000       1.544000       1.037000
  1 1 1       4  -13    3 o    1.803000      0.5825000       1.960000 0.9097000       1.647000      0.7278000      0.3136000       1.165000
  1 1 1       4  -13    4 o    5.853000      0.4405000       5.385000 0.7129000       6.321000      0.5175000     -0.9364000      0.8809000
  1 1 1       4  -13    5 o    10.68000      0.3522000       10.60000 0.4845000       10.76000      0.5112000     -0.1653000      0.7043000
  1 1 1       4  -13    6 o    6.023000      0.4179000       5.882000 0.4978000       6.164000      0.6714000     -0.2812000      0.8358000
  1 1 1       4  -13    7 o    5.696000      0.3768000       5.462000 0.4604000       5.929000      0.5966000     -0.4673000      0.7536000
  1 1 1       4  -13    8 o    4.931000      0.2770000       5.102000 0.3385000       4.761000      0.4385000      0.3413000      0.5539000
  1 1 1       4  -13    9 o    8.509000      0.2218000       8.948000 0.3137000       8.070000      0.3137000      0.8783000      0.4436000
  1 1 1       4  -13   10 o    2.272000      0.3820000       2.241000 0.5656000       2.302000      0.5135000     -0.6105000E-01  0.7639000
  1 1 1       4  -13   11 o    6.407000      0.1894000       6.262000 0.2900000       6.552000      0.2438000     -0.2904000      0.3789000
  1 1 1       4  -13   12 o    10.43000      0.1996000       10.40000 0.3037000       10.45000      0.2590000     -0.4353000E-01  0.3991000
  1 1 1       4  -13   13 o    5.332000      0.1873000       5.293000 0.2901000       5.372000      0.2370000     -0.7924000E-01  0.3746000
  1 1 1       4  -13   14 o    3.335000      0.2614000       3.186000 0.4235000       3.485000      0.3066000     -0.2995000      0.5229000
  1 1 1       4  -13   15 o    2.839000      0.3090000       2.914000 0.4767000       2.764000      0.3932000      0.1498000      0.6179000
  1 1 1       4  -13   16 o    1.131000      0.3330000       1.474000 0.5440000      0.7890000      0.3842000      0.6848000      0.6660000
  1 1 1       4  -13   17 o    8.252000      0.1666000       8.195000 0.2428000       8.309000      0.2283000     -0.1138000      0.3332000
  1 1 1       4  -13   18 o    8.325000      0.1723000       8.093000 0.2506000       8.558000      0.2367000     -0.4650000      0.3447000
  1 1 1       4  -13   19 o    4.476000      0.2034000       4.149000 0.2976000       4.803000      0.2773000     -0.6539000      0.4068000
  1 1 1       4  -13   20 o    10.48000      0.1840000       10.63000 0.2637000       10.34000      0.2566000      0.2817000      0.3680000
  1 1 1       4  -13   21 o    12.43000      0.2041000       12.62000 0.2930000       12.23000      0.2843000      0.3879000      0.4083000
  1 1 1       4  -13   22 o    3.225000      0.3048000       3.483000 0.3735000       2.967000      0.4818000      0.5155000      0.6096000
  1 1 1       4  -13   23 o    1.979000      0.4296000       2.075000 0.5879000       1.882000      0.6266000      0.1926000      0.8592000
  1 1 1       4  -13   24 o    3.620000      0.2981000       3.643000 0.3866000       3.596000      0.4538000      0.4685000E-01  0.5962000
  1 1 1       4  -13   25 o    10.94000      0.2087000       11.09000 0.2951000       10.80000      0.2952000      0.2907000      0.4174000
  1 1 1       4  -13   26 o    6.434000      0.2369000       6.577000 0.3131000       6.290000      0.3556000      0.2876000      0.4738000
  1 1 1       4  -13   27 o    5.832000      0.2615000       5.609000 0.3687000       6.054000      0.3710000     -0.4453000      0.5230000
  1 1 1       4  -13   28 o    3.436000      0.4299000       2.810000 0.6710000       4.063000      0.5376000      -1.253000      0.8598000
  1 1 1       4  -13   29 o    5.888000      0.6046000       4.977000 1.076000       6.800000      0.5513000      -1.823000       1.209000
  1 1 1       4  -13   30 o    2.971000      0.7548000       3.099000 1.156000       2.844000      0.9711000      0.2548000       1.510000
  1 1 1       4  -13   31 o    3.785000      0.7244000       3.687000 1.098000       3.883000      0.9449000     -0.1957000       1.449000
  1 1 1       4  -13   32 f    4.815000      0.3817000       5.231000 0.4650000       4.398000      0.6054000      0.8324000      0.7634000
  1 1 1       4  -13   33 o    1.609000      0.5105000       1.669000 0.7359000       1.548000      0.7078000      0.1206000       1.021000
  1 1 1       4  -13   34 o    3.290000       1.060000                  ?       ?   3.290000       1.060000                  ?              ?
  1 1 1       4  -12    0 o    15.90000      0.2519000       16.11000 0.3483000       15.69000      0.3639000      0.4270000      0.5037000
  1 1 1       4  -12    1 o    10.81000      0.2329000       10.55000 0.3126000       11.08000      0.3453000     -0.5273000      0.4658000
  1 1 1       4  -12    2 o    4.129000      0.3478000       4.199000 0.5165000       4.059000      0.4659000      0.1406000      0.6955000
  1 1 1       4  -12    3 o    8.291000      0.2967000       8.079000 0.4409000       8.503000      0.3971000     -0.4233000      0.5933000
  1 1 1       4  -12    4 o    7.841000      0.3241000       7.558000 0.4923000       8.124000      0.4216000     -0.5655000      0.6482000
  1 1 1       4  -12    5 o    7.010000      0.4158000       6.855000 0.6317000       7.166000      0.5408000     -0.3109000      0.8315000
  1 1 1       4  -12    6 o    7.284000      0.3446000       7.293000 0.4327000       7.274000      0.5364000      0.1852000E-01  0.6892000
  1 1 1       4  -12    7 o    13.87000      0.3004000       14.08000 0.4399000       13.66000      0.4092000      0.4174000      0.6008000
  1 1 1       4  -12    8 o    4.552000      0.2410000       4.916000 0.3310000       4.189000      0.3503000      0.7267000      0.4819000
  1 1 1       4  -12    9 o    6.738000      0.2087000       6.928000 0.2857000       6.548000      0.3042000      0.3794000      0.4173000
  1 1 1       4  -12   10 o    3.575000      0.3349000                  ?       ?   3.575000      0.3349000                  ?              ?
  1 1 1       4  -12   11 o    10.14000      0.1969000       10.09000 0.3018000       10.19000      0.2531000     -0.9540000E-01  0.3939000
  1 1 1       4  -12   12 o    4.380000      0.1992000       4.531000 0.3126000       4.229000      0.2469000      0.3019000      0.3983000
  1 1 1       4  -12   13 o    4.022000      0.2027000       3.826000 0.3219000       4.217000      0.2466000     -0.3908000      0.4055000
  1 1 1       4  -12   14 o    7.863000      0.1600000       8.091000 0.2369000       7.635000      0.2150000      0.4562000      0.3199000
  1 1 1       4  -12   15 o    3.107000      0.2298000       3.052000 0.3420000       3.162000      0.3070000     -0.1093000      0.4596000
  1 1 1       4  -12   16 o    5.879000      0.1605000       6.072000 0.2351000       5.685000      0.2186000      0.3864000      0.3210000
  1 1 1       4  -12   17 o    11.21000      0.1827000       11.21000 0.2637000       11.21000      0.2529000     -0.1965000E-02  0.3654000
  1 1 1       4  -12   18 o    6.225000      0.1693000       6.001000 0.2434000       6.449000      0.2355000     -0.4472000      0.3387000
  1 1 1       4  -12   19 o    6.100000      0.1693000       6.121000 0.2391000       6.078000      0.2399000      0.4223000E-01  0.3387000
  1 1 1       4  -12   20 o    4.205000      0.2226000       4.062000 0.3218000       4.349000      0.3077000     -0.2877000      0.4452000
  1 1 1       4  -12   21 f    2.897000      0.3226000       2.965000 0.4118000       2.829000      0.4968000      0.1366000      0.6453000
  1 1 1       4  -12   22 o    2.180000      0.3779000       2.763000 0.4364000       1.597000      0.6171000       1.166000      0.7558000
  1 1 1       4  -12   23 o    6.441000      0.1984000       6.585000 0.2683000       6.298000      0.2924000      0.2874000      0.3969000
  1 1 1       4  -12   24 o    3.116000      0.3615000       3.200000 0.4614000       3.033000      0.5567000      0.1667000      0.7231000
  1 1 1       4  -12   25 o    7.715000      0.2045000       7.716000 0.2824000       7.714000      0.2958000      0.1854000E-02  0.4090000
  1 1 1       4  -12   26 o    3.271000      0.3811000       2.866000 0.5678000       3.676000      0.5084000     -0.8101000      0.7621000
  1 1 1       4  -12   27 o    3.694000      0.3679000       3.679000 0.4882000       3.709000      0.5507000     -0.2955000E-01  0.7359000
  1 1 1       4  -12   28 o    10.46000      0.2270000       10.26000 0.3208000       10.67000      0.3212000     -0.4073000      0.4540000
  1 1 1       4  -12   29 o    2.560000      0.5247000       2.717000 0.6908000       2.402000      0.7899000      0.3156000       1.049000
  1 1 1       4  -12   30 o    7.051000      0.2637000       6.940000 0.3543000       7.162000      0.3907000     -0.2220000      0.5274000
  1 1 1       4  -12   31 o    3.482000      0.7362000       3.250000 1.114000       3.714000      0.9630000     -0.4638000       1.472000
  1 1 1       4  -12   32 o    5.656000      0.5181000       5.742000 0.7850000       5.569000      0.6765000      0.1736000       1.036000
  1 1 1       4  -12   33 o    1.830000      0.5268000       1.517000 0.6912000       2.144000      0.7952000     -0.6273000       1.054000
  1 1 1       4  -12   34 o    2.859000      0.5489000       3.296000 0.7090000       2.423000      0.8381000      0.8736000       1.098000
  1 1 1       4  -11    0 o    2.923000      0.3184000       3.261000 0.3924000       2.584000      0.5017000      0.6770000      0.6369000
  1 1 1       4  -11    1 o    5.193000      0.2342000       5.444000 0.3155000       4.942000      0.3463000      0.5020000      0.4685000
  1 1 1       4  -11    2 o    2.024000      0.4260000       2.709000 0.6321000       1.339000      0.5712000       1.370000      0.8519000
  1 1 1       4  -11    3 o    9.651000      0.2675000       9.193000 0.3869000       10.11000      0.3695000     -0.9157000      0.5350000
  1 1 1       4  -11    4 o    7.996000      0.2944000       7.394000 0.4473000       8.598000      0.3828000      -1.204000      0.5888000
  1 1 1       4  -11    5 o    8.880000      0.3417000       8.731000 0.5101000       9.030000      0.4549000     -0.2988000      0.6835000
  1 1 1       4  -11    6 o    5.834000      0.3761000       6.092000 0.4485000       5.576000      0.6039000      0.5163000      0.7522000
  1 1 1       4  -11    7 o    12.94000      0.3227000       12.37000 0.3911000       13.51000      0.5134000      -1.146000      0.6454000
  1 1 1       4  -11    8 o    12.15000      0.3582000       12.15000 0.3582000                  ?              ?              ?              ?
  1 1 1       4  -11    9 o    6.046000      0.1945000       6.067000 0.2768000       6.025000      0.2733000      0.4229000E-01  0.3890000
  1 1 1       4  -11   10 o    6.894000      0.2330000                  ?       ?   6.894000      0.2330000                  ?              ?
  1 1 1       4  -11   11 o    14.89000      0.2297000       14.99000 0.3405000       14.79000      0.3085000      0.2007000      0.4595000
  1 1 1       4  -11   12 o    7.800000      0.1554000       7.812000 0.2324000       7.789000      0.2063000      0.2304000E-01  0.3107000
  1 1 1       4  -11   13 o    13.22000      0.1979000       13.19000 0.2842000       13.25000      0.2754000     -0.6038000E-01  0.3958000
  1 1 1       4  -11   14 o    7.777000      0.1512000       7.635000 0.2177000       7.918000      0.2097000     -0.2830000      0.3023000
  1 1 1       4  -11   15 o    3.602000      0.1921000       3.781000 0.2717000       3.423000      0.2717000      0.3580000      0.3842000
  1 1 1       4  -11   16 o    8.508000      0.1568000       8.408000 0.2261000       8.608000      0.2174000     -0.1998000      0.3136000
  1 1 1       4  -11   17 f    3.821000      0.1940000       3.951000 0.2614000       3.691000      0.2869000      0.2606000      0.3881000
  1 1 1       4  -11   18 o    4.353000      0.1827000       4.395000 0.2516000       4.312000      0.2651000      0.8281000E-01  0.3655000
  1 1 1       4  -11   19 o    3.740000      0.2275000       3.756000 0.2983000       3.725000      0.3435000      0.3107000E-01  0.4550000
  1 1 1       4  -11   20 f    7.232000      0.1746000       7.271000 0.2462000       7.192000      0.2477000      0.7924000E-01  0.3492000
  1 1 1       4  -11   21 o    4.690000      0.2148000       4.410000 0.2963000       4.970000      0.3110000     -0.5602000      0.4296000
  1 1 1       4  -11   22 o    5.533000      0.2112000       5.140000 0.2969000       5.925000      0.3005000     -0.7850000      0.4224000
  1 1 1       4  -11   23 o    7.260000      0.1957000       7.249000 0.2692000       7.272000      0.2840000     -0.2232000E-01  0.3914000
  1 1 1       4  -11   24 o    3.647000      0.3169000       4.199000 0.3521000       3.094000      0.5271000       1.105000      0.6339000
  1 1 1       4  -11   25 o    3.970000      0.3027000       4.034000 0.3914000       3.906000      0.4620000      0.1288000      0.6055000
  1 1 1       4  -11   26 o    5.951000      0.2387000       6.050000 0.3214000       5.852000      0.3530000      0.1979000      0.4773000
  1 1 1       4  -11   27 o    5.828000      0.2536000       5.817000 0.3330000       5.838000      0.3824000     -0.2075000E-01  0.5071000
  1 1 1       4  -11   28 o    5.366000      0.2809000       5.577000 0.3719000       5.155000      0.4210000      0.4217000      0.5617000
  1 1 1       4  -11   29 o    7.812000      0.2405000       7.756000 0.3322000       7.869000      0.3479000     -0.1134000      0.4810000
  1 1 1       4  -11   30 o    5.734000      0.2990000       5.850000 0.3925000       5.618000      0.4513000      0.2318000      0.5981000
  1 1 1       4  -11   31 o    1.885000      0.5280000       2.033000 0.7454000       1.736000      0.7480000      0.2972000       1.056000
  1 1 1       4  -11   32 o    4.996000      0.3608000       5.180000 0.4625000       4.812000      0.5539000      0.3677000      0.7216000
  1 1 1       4  -11   33 o    3.364000      0.7279000       3.354000 1.066000       3.373000      0.9918000     -0.1853000E-01   1.456000
  1 1 1       4  -11   34 o    5.034000      0.5841000       4.293000 0.9609000       5.775000      0.6641000      -1.482000       1.168000
  1 1 1       4  -11   35 o    1.787000      0.5352000       1.623000 0.7144000       1.951000      0.7972000     -0.3281000       1.070000
  1 1 1       4  -10    0 o    18.23000      0.2623000       18.23000 0.3659000       18.24000      0.3760000     -0.1143000E-01  0.5246000
  1 1 1       4  -10    1 o    19.14000      0.3333000       18.63000 0.3813000       19.64000      0.5467000      -1.011000      0.6666000
  1 1 1       4  -10    2 o    5.926000      0.2171000       6.145000 0.3054000       5.708000      0.3087000      0.4364000      0.4342000
  1 1 1       4  -10    3 o    14.08000      0.2662000       13.85000 0.3561000       14.32000      0.3958000     -0.4620000      0.5325000
  1 1 1       4  -10    4 o    21.16000      0.3380000       20.73000 0.4432000       21.58000      0.5104000     -0.8455000      0.6760000
  1 1 1       4  -10    5 o    7.735000      0.3413000       7.325000 0.5225000       8.145000      0.4393000     -0.8201000      0.6827000
  1 1 1       4  -10    6 o    10.58000      0.2620000       10.57000 0.3629000       10.59000      0.3779000     -0.1971000E-01  0.5239000
  1 1 1       4  -10    7 o    6.825000      0.2717000       6.697000 0.3454000       6.954000      0.4195000     -0.2573000      0.5434000
  1 1 1       4  -10    8 o    11.75000      0.2339000       11.94000 0.3501000       11.56000      0.3103000      0.3865000      0.4679000
  1 1 1       4  -10    9 o    7.634000      0.1793000       7.522000 0.2675000       7.745000      0.2389000     -0.2228000      0.3587000
  1 1 1       4  -10   10 o    7.802000      0.1690000       7.686000 0.2498000       7.918000      0.2277000     -0.2319000      0.3380000
  1 1 1       4  -10   11 o    8.048000      0.1586000       7.952000 0.2376000       8.143000      0.2102000     -0.1910000      0.3173000
  1 1 1       4  -10   12 o    8.432000      0.1556000       8.458000 0.2311000       8.406000      0.2085000      0.5198000E-01  0.3112000
  1 1 1       4  -10   13 o    6.099000      0.1431000       6.291000 0.2123000       5.907000      0.1920000      0.3839000      0.2862000
  1 1 1       4  -10   14 o    3.029000      0.2073000       3.069000 0.2979000       2.989000      0.2883000      0.8005000E-01  0.4145000
  1 1 1       4  -10   15 o    6.781000      0.1478000       6.712000 0.2158000       6.849000      0.2020000     -0.1369000      0.2956000
  1 1 1       4  -10   16 o    4.753000      0.1630000       4.774000 0.2287000       4.732000      0.2324000      0.4146000E-01  0.3261000
  1 1 1       4  -10   17 o    7.190000      0.1560000       7.216000 0.2223000       7.163000      0.2189000      0.5267000E-01  0.3120000
  1 1 1       4  -10   18 o    8.505000      0.1654000       8.562000 0.2340000       8.447000      0.2339000      0.1148000      0.3309000
  1 1 1       4  -10   19 o    3.792000      0.2188000       3.303000 0.3265000       4.281000      0.2912000     -0.9777000      0.4375000
  1 1 1       4  -10   20 o    4.948000      0.1943000       4.857000 0.2656000       5.039000      0.2836000     -0.1825000      0.3886000
  1 1 1       4  -10   21 o    6.635000      0.1885000       6.569000 0.2634000       6.702000      0.2697000     -0.1332000      0.3770000
  1 1 1       4  -10   22 o    10.19000      0.1895000       10.02000 0.2630000       10.35000      0.2728000     -0.3309000      0.3789000
  1 1 1       4  -10   23 o    8.279000      0.1948000       8.105000 0.2778000       8.453000      0.2732000     -0.3484000      0.3896000
  1 1 1       4  -10   24 o    7.963000      0.1951000       7.750000 0.2696000       8.176000      0.2821000     -0.4259000      0.3902000
  1 1 1       4  -10   25 o    7.610000      0.2043000       7.176000 0.2841000       8.043000      0.2937000     -0.8669000      0.4086000
  1 1 1       4  -10   26 o    7.279000      0.2149000       7.295000 0.2959000       7.263000      0.3119000      0.3202000E-01  0.4299000
  1 1 1       4  -10   27 o    4.657000      0.3068000       4.933000 0.3800000       4.382000      0.4817000      0.5505000      0.6136000
  1 1 1       4  -10   28 o    3.694000      0.4061000       4.104000 0.4676000       3.285000      0.6641000      0.8191000      0.8122000
  1 1 1       4  -10   29 o    11.30000      0.2292000       11.00000 0.3251000       11.61000      0.3232000     -0.6124000      0.4584000
  1 1 1       4  -10   30 o    4.970000      0.3145000       5.011000 0.4254000       4.929000      0.4633000      0.8216000E-01  0.6290000
  1 1 1       4  -10   31 o    1.604000      0.4868000       1.843000 0.7277000       1.366000      0.6468000      0.4773000      0.9736000
  1 1 1       4  -10   32 o    5.935000      0.3120000       5.287000 0.4609000       6.582000      0.4207000      -1.295000      0.6240000
  1 1 1       4  -10   33 o    2.631000      0.5726000       2.822000 0.7862000       2.439000      0.8327000      0.3835000       1.145000
  1 1 1       4  -10   34 o    2.690000      0.6951000       2.274000 0.9922000       3.106000      0.9739000     -0.8316000       1.390000
  1 1 1       4  -10   35 o    3.062000      0.6877000       2.383000 0.9963000       3.741000      0.9483000      -1.358000       1.375000
  1 1 1       4   -9    0 o    18.75000      0.3203000       18.59000 0.3676000       18.91000      0.5245000     -0.3193000      0.6405000
  1 1 1       4   -9    1 o    24.65000      0.3430000       24.78000 0.4829000       24.52000      0.4871000      0.2550000      0.6859000
  1 1 1       4   -9    2 o    10.34000      0.2133000       9.883000 0.2597000       10.80000      0.3384000     -0.9148000      0.4266000
  1 1 1       4   -9    3 o    20.09000      0.4052000       19.88000 0.5794000       20.30000      0.5667000     -0.4234000      0.8105000
  1 1 1       4   -9    4 o    2.872000      0.5436000       2.416000 0.9076000       3.327000      0.5985000     -0.9109000       1.087000
  1 1 1       4   -9    5 o    10.37000      0.4623000       10.01000 0.8254000       10.73000      0.4166000     -0.7234000      0.9246000
  1 1 1       4   -9    6 o    25.52000      0.5584000       25.37000 0.8525000       25.68000      0.7216000     -0.3096000       1.117000
  1 1 1       4   -9    7 o    3.180000      0.9617000       3.580000 1.634000       2.780000       1.015000      0.7996000       1.923000
  1 1 1       4   -9    8 o    5.793000      0.9912000       5.139000 1.869000       6.446000      0.6624000      -1.307000       1.982000
  1 1 1       4   -9    9 o    8.283000      0.4201000       7.919000 0.7430000       8.647000      0.3924000     -0.7285000      0.8402000
  1 1 1       4   -9   10 o    5.587000      0.3983000       5.731000 0.6913000       5.443000      0.3959000      0.2881000      0.7967000
  1 1 1       4   -9   11 o    15.97000      0.3257000       15.83000 0.4666000       16.12000      0.4544000     -0.2821000      0.6513000
  1 1 1       4   -9   12 o    9.655000      0.2221000       9.639000 0.3208000       9.671000      0.3073000     -0.3203000E-01  0.4442000
  1 1 1       4   -9   13 o    4.921000      0.1812000       4.774000 0.2565000       5.067000      0.2559000     -0.2927000      0.3623000
  1 1 1       4   -9   14 o    6.911000      0.1843000       6.744000 0.2567000       7.078000      0.2646000     -0.3339000      0.3686000
  1 1 1       4   -9   15 o    2.964000      0.2585000       2.645000 0.3666000       3.283000      0.3645000     -0.6380000      0.5170000
  1 1 1       4   -9   16 o    10.50000      0.2303000       10.76000 0.3267000       10.24000      0.3246000      0.5143000      0.4605000
  1 1 1       4   -9   17 o    14.25000      0.2115000       14.26000 0.3009000       14.24000      0.2974000      0.2850000E-01  0.4231000
  1 1 1       4   -9   18 o    7.514000      0.1638000       7.437000 0.2357000       7.591000      0.2275000     -0.1535000      0.3276000
  1 1 1       4   -9   19 o    4.746000      0.1941000       4.803000 0.2663000       4.690000      0.2825000      0.1129000      0.3882000
  1 1 1       4   -9   20 o    7.966000      0.1753000       7.941000 0.2475000       7.990000      0.2483000     -0.4952000E-01  0.3505000
  1 1 1       4   -9   21 o    7.650000      0.1840000       7.533000 0.2594000       7.768000      0.2611000     -0.2348000      0.3680000
  1 1 1       4   -9   22 o    11.33000      0.1984000       11.43000 0.2818000       11.24000      0.2793000      0.1919000      0.3967000
  1 1 1       4   -9   23 o    5.940000      0.2048000       6.274000 0.2649000       5.606000      0.3124000      0.6684000      0.4096000
  1 1 1       4   -9   24 o    6.631000      0.2053000       6.991000 0.2765000       6.271000      0.3036000      0.7196000      0.4107000
  1 1 1       4   -9   25 o    5.978000      0.2211000       5.764000 0.3001000       6.192000      0.3247000     -0.4277000      0.4422000
  1 1 1       4   -9   26 o    5.796000      0.2315000       5.871000 0.3072000       5.722000      0.3465000      0.1491000      0.4631000
  1 1 1       4   -9   27 f    8.253000      0.2168000       8.125000 0.2983000       8.381000      0.3147000     -0.2556000      0.4336000
  1 1 1       4   -9   28 o    3.899000      0.3502000       3.865000 0.4694000       3.932000      0.5199000     -0.6786000E-01  0.7005000
  1 1 1       4   -9   29 o    6.894000      0.2523000       7.210000 0.3357000       6.579000      0.3768000      0.6309000      0.5046000
  1 1 1       4   -9   30 o    2.285000      0.5367000       2.353000 0.7269000       2.216000      0.7898000      0.1372000       1.073000
  1 1 1       4   -9   31 o    6.759000      0.2739000       6.563000 0.3771000       6.956000      0.3974000     -0.3922000      0.5478000
  1 1 1       4   -9   32 o    2.742000      0.5394000       3.315000 0.7104000       2.169000      0.8118000       1.147000       1.079000
  1 1 1       4   -9   33 o    2.088000      0.5628000       2.252000 0.8001000       1.925000      0.7916000      0.3266000       1.126000
  1 1 1       4   -9   34 o    2.112000      0.5409000       1.557000 0.7009000       2.666000      0.8241000      -1.110000       1.082000
  1 1 1       4   -9   35 o    4.877000      0.6190000       3.959000 1.033000       5.796000      0.6824000      -1.837000       1.238000
  1 1 1       4   -8    0 o    11.52000      0.2453000       11.94000 0.3569000       11.09000      0.3366000      0.8459000      0.4906000
  1 1 1       4   -8    1 o    32.16000      0.6135000       31.75000 0.8579000       32.56000      0.8771000     -0.8080000       1.227000
  1 1 1       4   -8    2 o    16.84000      0.2937000       16.68000 0.3428000       17.01000      0.4769000     -0.3340000      0.5874000
  1 1 1       4   -8    3 o    9.160000      0.2035000       9.107000 0.2840000       9.214000      0.2917000     -0.1074000      0.4071000
  1 1 1       4   -8    4 o    11.68000      0.2377000       11.41000 0.3215000       11.95000      0.3503000     -0.5416000      0.4755000
  1 1 1       4   -8    5 o    11.02000      0.2663000       11.30000 0.3791000       10.74000      0.3740000      0.5629000      0.5326000
  1 1 1       4   -8    6 o    15.02000      0.2672000       15.22000 0.3933000       14.82000      0.3619000      0.3999000      0.5345000
  1 1 1       4   -8    7 o    3.454000      0.3197000       3.249000 0.4024000       3.659000      0.4970000     -0.4092000      0.6395000
  1 1 1       4   -8    8 o    5.680000      0.1800000       5.607000 0.2492000       5.754000      0.2599000     -0.1470000      0.3600000
  1 1 1       4   -8    9 f    13.62000      0.2490000       13.72000 0.3195000       13.52000      0.3820000      0.1948000      0.4980000
  1 1 1       4   -8   10 o    15.42000      0.2203000       15.29000 0.3137000       15.55000      0.3093000     -0.2601000      0.4405000
  1 1 1       4   -8   11 o    7.337000      0.1387000       7.269000 0.2014000       7.406000      0.1907000     -0.1366000      0.2774000
  1 1 1       4   -8   12 o    14.46000      0.2056000       14.43000 0.2928000       14.49000      0.2888000     -0.5146000E-01  0.4113000
  1 1 1       4   -8   13 o    10.80000      0.1653000       10.80000 0.2360000       10.80000      0.2317000     -0.5571000E-02  0.3307000
  1 1 1       4   -8   14 o    2.336000      0.2394000       2.314000 0.3225000       2.359000      0.3540000     -0.4493000E-01  0.4789000
  1 1 1       4   -8   15 o    1.324000      0.3253000       1.056000 0.4372000       1.593000      0.4817000     -0.5366000      0.6505000
  1 1 1       4   -8   16 o    3.846000      0.2154000       3.841000 0.2472000       3.850000      0.3528000     -0.9335000E-02  0.4308000
  1 1 1       4   -8   17 o    8.123000      0.2087000       8.239000 0.2888000       8.007000      0.3013000      0.2319000      0.4173000
  1 1 1       4   -8   18 o    10.57000      0.2398000       10.13000 0.3209000       11.01000      0.3566000     -0.8834000      0.4797000
  1 1 1       4   -8   19 o    6.983000      0.2196000       6.780000 0.2825000       7.185000      0.3363000     -0.4051000      0.4392000
  1 1 1       4   -8   20 o    5.830000      0.1844000       5.785000 0.2511000       5.876000      0.2702000     -0.9115000E-01  0.3689000
  1 1 1       4   -8   21 o    4.342000      0.2267000       4.266000 0.2967000       4.418000      0.3430000     -0.1518000      0.4535000
  1 1 1       4   -8   22 o    7.604000      0.1871000       7.497000 0.2640000       7.710000      0.2651000     -0.2131000      0.3741000
  1 1 1       4   -8   23 o    14.75000      0.2312000       14.69000 0.3274000       14.82000      0.3264000     -0.1252000      0.4623000
  1 1 1       4   -8   24 o    3.503000      0.3015000       3.401000 0.4033000       3.604000      0.4483000     -0.2037000      0.6030000
  1 1 1       4   -8   25 o    4.067000      0.2944000       3.586000 0.4304000       4.547000      0.4019000     -0.9609000      0.5888000
  1 1 1       4   -8   26 o    3.197000      0.3826000       2.947000 0.5540000       3.448000      0.5277000     -0.5013000      0.7651000
  1 1 1       4   -8   27 f    5.718000      0.2491000       5.371000 0.3454000       6.066000      0.3590000     -0.6945000      0.4981000
  1 1 1       4   -8   28 o    13.75000      0.2381000       13.75000 0.3369000       13.76000      0.3365000     -0.4937000E-02  0.4761000
  1 1 1       4   -8   29 o    3.951000      0.3745000       3.616000 0.5387000       4.287000      0.5205000     -0.6704000      0.7491000
  1 1 1       4   -8   30 o    2.132000      0.5393000       2.038000 0.7220000       2.226000      0.8013000     -0.1881000       1.079000
  1 1 1       4   -8   31 o    6.379000      0.2857000       6.425000 0.3898000       6.333000      0.4178000      0.9190000E-01  0.5714000
  1 1 1       4   -8   32 o    4.889000      0.3654000       3.982000 0.5716000       5.795000      0.4552000      -1.814000      0.7307000
  1 1 1       4   -8   33 o    1.734000      0.5182000       1.952000 0.7721000       1.516000      0.6913000      0.4358000       1.036000
  1 1 1       4   -8   34 o    1.750000      0.5259000       1.876000 0.7694000       1.623000      0.7171000      0.2524000       1.052000
  1 1 1       4   -8   35 f    3.398000      0.5225000       3.166000 0.7630000       3.630000      0.7142000     -0.4637000       1.045000
  1 1 1       4   -8   36 o    3.049000      0.6919000       2.627000 1.030000       3.471000      0.9239000     -0.8440000       1.384000
  1 1 1       4   -7    0 o    5.756000      0.1325000       5.578000 0.1824000       5.935000      0.1923000     -0.3571000      0.2650000
  1 1 1       4   -7    1 o    14.46000      0.2522000       14.04000 0.2847000       14.87000      0.4163000     -0.8257000      0.5044000
  1 1 1       4   -7    2 f    13.07000      0.3045000       12.86000 0.3931000       13.27000      0.4652000     -0.4109000      0.6090000
  1 1 1       4   -7    3 o    9.578000      0.4047000       10.16000 0.4019000       8.996000      0.7026000       1.165000      0.8094000
  1 1 1       4   -7    4 o    6.931000      0.6019000       6.471000 0.4898000       7.391000       1.100000     -0.9192000       1.204000
  1 1 1       4   -7    5 o    19.96000      0.4912000       19.64000 0.5713000       20.27000      0.7991000     -0.6310000      0.9823000
  1 1 1       4   -7    6 o    25.56000      0.3692000       25.58000 0.5344000       25.54000      0.5095000      0.3744000E-01  0.7384000
  1 1 1       4   -7    7 o    6.477000      0.1874000       6.867000 0.2533000       6.088000      0.2763000      0.7785000      0.3748000
  1 1 1       4   -7    8 o    10.78000      0.1997000       11.12000 0.3204000       10.44000      0.2385000      0.6810000      0.3994000
  1 1 1       4   -7    9 o    21.07000      0.4190000       21.07000 0.4190000                  ?              ?              ?              ?
  1 1 1       4   -7   10 o    13.43000      0.1932000       13.42000 0.2766000       13.45000      0.2696000     -0.3752000E-01  0.3863000
  1 1 1       4   -7   11 o    6.777000      0.1685000                  ?       ?   6.777000      0.1685000                  ?              ?
  1 1 1       4   -7   12 o    24.08000      0.4642000       24.39000 0.6660000       23.76000      0.6469000      0.6371000      0.9285000
  1 1 1       4   -7   13 o    7.364000      0.2061000       7.602000 0.3057000       7.125000      0.2765000      0.4775000      0.4122000
  1 1 1       4   -7   14 o    10.12000      0.2371000       10.19000 0.3469000       10.05000      0.3233000      0.1376000      0.4742000
  1 1 1       4   -7   15 f    1.905000      0.4440000       1.902000 0.6804000       1.908000      0.5705000     -0.5770000E-02  0.8880000
  1 1 1       4   -7   16 o    10.54000      0.1715000       10.66000 0.2444000       10.43000      0.2407000      0.2356000      0.3431000
  1 1 1       4   -7   17 o    7.399000      0.1551000       7.307000 0.2191000       7.492000      0.2194000     -0.1851000      0.3101000
  1 1 1       4   -7   18 o    4.793000      0.1820000       4.585000 0.2563000       5.002000      0.2584000     -0.4173000      0.3639000
  1 1 1       4   -7   19 o    11.66000      0.2604000       11.92000 0.3632000       11.39000      0.3732000      0.5366000      0.5207000
  1 1 1       4   -7   20 o    3.517000      0.3431000       3.580000 0.3835000       3.455000      0.5691000      0.1249000      0.6862000
  1 1 1       4   -7   21 o    7.487000      0.2349000       7.553000 0.3088000       7.421000      0.3542000      0.1329000      0.4699000
  1 1 1       4   -7   22 o    4.367000      0.2364000       4.326000 0.3103000       4.408000      0.3566000     -0.8231000E-01  0.4727000
  1 1 1       4   -7   23 o    8.119000      0.1912000       8.319000 0.2645000       7.918000      0.2761000      0.4007000      0.3824000
  1 1 1       4   -7   24 o    9.124000      0.1969000       9.009000 0.2758000       9.240000      0.2811000     -0.2308000      0.3939000
  1 1 1       4   -7   25 o    5.980000      0.2209000       5.868000 0.3039000       6.093000      0.3206000     -0.2252000      0.4417000
  1 1 1       4   -7   26 o    12.05000      0.2156000       11.86000 0.3022000       12.25000      0.3076000     -0.3880000      0.4312000
  1 1 1       4   -7   27 o    10.33000      0.2151000       10.52000 0.3022000       10.15000      0.3061000      0.3661000      0.4302000
  1 1 1       4   -7   28 o    9.920000      0.2232000       9.860000 0.3118000       9.980000      0.3196000     -0.1202000      0.4465000
  1 1 1       4   -7   29 o    4.248000      0.3476000       4.070000 0.4781000       4.426000      0.5048000     -0.3560000      0.6953000
  1 1 1       4   -7   30 o    5.000000      0.3174000       5.220000 0.4026000       4.779000      0.4907000      0.4414000      0.6347000
  1 1 1       4   -7   31 o    1.958000      0.5397000       1.841000 0.7332000       2.076000      0.7922000     -0.2355000       1.079000
  1 1 1       4   -7   32 o    6.890000      0.2815000       6.519000 0.3949000       7.261000      0.4013000     -0.7419000      0.5630000
  1 1 1       4   -7   33 o    1.644000      0.5039000       1.841000 0.7519000       1.447000      0.6712000      0.3941000       1.008000
  1 1 1       4   -7   34 o    4.212000      0.4293000       3.690000 0.6741000       4.734000      0.5318000      -1.043000      0.8586000
  1 1 1       4   -7   35 o    2.115000      0.5633000       2.237000 0.7981000       1.994000      0.7952000      0.2424000       1.127000
  1 1 1       4   -7   36 o    2.663000      0.5552000       3.170000 0.7496000       2.156000      0.8193000       1.014000       1.110000
  1 1 1       4   -6    0 o    14.28000      0.2857000       14.25000 0.4022000       14.31000      0.4060000     -0.6291000E-01  0.5715000
  1 1 1       4   -6    1 o    7.983000      0.1379000       7.786000 0.1908000       8.179000      0.1992000     -0.3926000      0.2758000
  1 1 1       4   -6    2 o    12.60000      0.1851000       12.68000 0.2602000       12.52000      0.2634000      0.1582000      0.3703000
  1 1 1       4   -6    3 o    12.83000      0.1985000       12.83000 0.2702000       12.82000      0.2908000      0.1397000E-01  0.3969000
  1 1 1       4   -6    4 o    16.23000      0.2593000       16.01000 0.3442000       16.46000      0.3880000     -0.4540000      0.5187000
  1 1 1       4   -6    5 o    11.15000      0.2416000       10.70000 0.3233000       11.61000      0.3591000     -0.9023000      0.4832000
  1 1 1       4   -6    6 o    24.48000      0.3524000       24.73000 0.5142000       24.23000      0.4821000      0.5081000      0.7049000
  1 1 1       4   -6    7 o    5.809000      0.1653000       5.851000 0.2262000       5.767000      0.2411000      0.8388000E-01  0.3306000
  1 1 1       4   -6    8 o    6.670000      0.1402000       6.651000 0.2128000       6.688000      0.1827000     -0.3690000E-01  0.2805000
  1 1 1       4   -6   10 o    8.370000      0.1332000       8.363000 0.1910000       8.376000      0.1859000     -0.1304000E-01  0.2665000
  1 1 1       4   -6   11 o    8.948000      0.1961000                  ?       ?   8.948000      0.1961000                  ?              ?
  1 1 1       4   -6   12 o    3.115000      0.1539000       3.059000 0.2208000       3.172000      0.2144000     -0.1128000      0.3077000
  1 1 1       4   -6   13 o    9.648000      0.1536000       9.584000 0.2185000       9.711000      0.2158000     -0.1268000      0.3072000
  1 1 1       4   -6   14 o    6.160000      0.1385000       6.285000 0.1966000       6.036000      0.1951000      0.2488000      0.2770000
  1 1 1       4   -6   15 o    1.744000      0.3193000       1.363000 0.4693000       2.125000      0.4332000     -0.7624000      0.6386000
  1 1 1       4   -6   16 o    12.14000      0.2719000       11.83000 0.3861000       12.45000      0.3830000     -0.6177000      0.5439000
  1 1 1       4   -6   17 o    10.50000      0.2574000       9.895000 0.3689000       11.11000      0.3592000      -1.217000      0.5149000
  1 1 1       4   -6   18 o    8.921000      0.2487000       9.106000 0.3680000       8.735000      0.3347000      0.3714000      0.4975000
  1 1 1       4   -6   19 o    8.530000      0.1710000       8.553000 0.2383000       8.507000      0.2452000      0.4592000E-01  0.3419000
  1 1 1       4   -6   20 o    6.135000      0.1874000       5.843000 0.2615000       6.427000      0.2684000     -0.5843000      0.3747000
  1 1 1       4   -6   21 o    9.090000      0.2425000       9.214000 0.3302000       8.967000      0.3552000      0.2474000      0.4850000
  1 1 1       4   -6   22 o    4.684000      0.2991000       4.813000 0.3550000       4.555000      0.4816000      0.2579000      0.5983000
  1 1 1       4   -6   23 o    5.224000      0.2282000       5.282000 0.3125000       5.165000      0.3327000      0.1167000      0.4565000
  1 1 1       4   -6   24 o    11.77000      0.2076000       11.51000 0.2898000       12.03000      0.2973000     -0.5145000      0.4151000
  1 1 1       4   -6   25 o    5.422000      0.2341000       5.202000 0.3299000       5.641000      0.3323000     -0.4386000      0.4682000
  1 1 1       4   -6   26 o    4.080000      0.3112000       4.240000 0.3973000       3.919000      0.4792000      0.3216000      0.6225000
  1 1 1       4   -6   27 o    8.334000      0.2151000       8.260000 0.3000000       8.408000      0.3083000     -0.1478000      0.4302000
  1 1 1       4   -6   28 o    1.636000      0.4762000       1.728000 0.6718000       1.544000      0.6750000      0.1833000      0.9523000
  1 1 1       4   -6   29 o    6.571000      0.2596000       6.764000 0.3417000       6.378000      0.3909000      0.3858000      0.5192000
  1 1 1       4   -6   30 o    8.231000      0.2407000       8.160000 0.3298000       8.303000      0.3506000     -0.1429000      0.4813000
  1 1 1       4   -6   31 o    1.830000      0.5221000       1.537000 0.6777000       2.123000      0.7943000     -0.5859000       1.044000
  1 1 1       4   -6   32 o    8.026000      0.2574000       8.139000 0.3537000       7.912000      0.3741000      0.2265000      0.5148000
  1 1 1       4   -6   33 o    2.570000      0.5594000       2.821000 0.7711000       2.319000      0.8106000      0.5016000       1.119000
  1 1 1       4   -6   34 f    6.107000      0.3124000       6.185000 0.4356000       6.029000      0.4478000      0.1553000      0.6247000
  1 1 1       4   -6   35 o    3.575000      0.4971000       3.748000 0.6698000       3.402000      0.7346000      0.3461000      0.9941000
  1 1 1       4   -6   36 o    3.837000      0.4583000       3.511000 0.7013000       4.163000      0.5903000     -0.6521000      0.9167000
  1 1 1       4   -6   37 o    4.035000      0.6885000                  ?       ?   4.035000      0.6885000                  ?              ?
  1 1 1       4   -5    0 o    7.528000      0.1293000       7.560000 0.1813000       7.497000      0.1842000      0.6357000E-01  0.2585000
  1 1 1       4   -5    1 o    8.058000      0.1304000       8.003000 0.1829000       8.112000      0.1859000     -0.1087000      0.2608000
  1 1 1       4   -5    2 o    30.00000      0.4037000       29.82000 0.5674000       30.17000      0.5744000     -0.3449000      0.8074000
  1 1 1       4   -5    3 o    2.592000      0.2208000       2.324000 0.3280000       2.859000      0.2956000     -0.5347000      0.4415000
  1 1 1       4   -5    4 o    17.00000      0.2563000       16.82000 0.3450000       17.19000      0.3791000     -0.3618000      0.5126000
  1 1 1       4   -5    5 o    14.01000      0.3200000       14.40000 0.5324000       13.62000      0.3550000      0.7858000      0.6399000
  1 1 1       4   -5    6 o    19.55000      0.3347000       19.63000 0.5381000       19.47000      0.3982000      0.1688000      0.6694000
  1 1 1       4   -5    7 o    19.95000      0.3485000       20.66000 0.4384000       19.23000      0.5418000       1.432000      0.6969000
  1 1 1       4   -5    8 o    1.404000      0.2562000       1.689000 0.3461000       1.120000      0.3780000      0.5684000      0.5125000
  1 1 1       4   -5    9 o    20.16000      0.2743000       20.00000 0.3857000       20.32000      0.3900000     -0.3176000      0.5485000
  1 1 1       4   -5   10 o    10.21000      0.1498000       10.40000 0.2157000       10.02000      0.2079000      0.3785000      0.2996000
  1 1 1       4   -5   11 o    17.58000      0.2416000       17.41000 0.3391000       17.75000      0.3443000     -0.3396000      0.4833000
  1 1 1       4   -5   12 o    11.96000      0.1746000       12.11000 0.2496000       11.80000      0.2441000      0.3102000      0.3491000
  1 1 1       4   -5   13 o    17.22000      0.2398000       17.43000 0.3435000       17.01000      0.3346000      0.4248000      0.4795000
  1 1 1       4   -5   14 o    10.15000      0.1610000       10.26000 0.2288000       10.05000      0.2267000      0.2128000      0.3221000
  1 1 1       4   -5   15 o    4.225000      0.1651000       4.205000 0.2228000       4.244000      0.2438000     -0.3917000E-01  0.3302000
  1 1 1       4   -5   16 o    8.982000      0.1595000       8.992000 0.2261000       8.971000      0.2249000      0.2137000E-01  0.3189000
  1 1 1       4   -5   17 o    12.90000      0.1972000       12.85000 0.2781000       12.94000      0.2796000     -0.8987000E-01  0.3944000
  1 1 1       4   -5   18 o    8.306000      0.2444000       8.519000 0.3639000       8.093000      0.3264000      0.4252000      0.4888000
  1 1 1       4   -5   19 o    5.028000      0.3071000       4.593000 0.4779000       5.464000      0.3857000     -0.8711000      0.6141000
  1 1 1       4   -5   20 o    5.232000      0.1963000       4.956000 0.2791000       5.508000      0.2762000     -0.5520000      0.3926000
  1 1 1       4   -5   21 f    11.25000      0.1935000       11.21000 0.2736000       11.30000      0.2736000     -0.8650000E-01  0.3869000
  1 1 1       4   -5   22 o    10.75000      0.2649000       10.81000 0.3614000       10.69000      0.3873000      0.1172000      0.5297000
  1 1 1       4   -5   23 o    13.83000      0.3060000       14.06000 0.4277000       13.60000      0.4378000      0.4595000      0.6120000
  1 1 1       4   -5   24 o    10.44000      0.2020000       10.43000 0.2831000       10.45000      0.2882000     -0.2309000E-01  0.4040000
  1 1 1       4   -5   25 o    4.337000      0.2754000       4.303000 0.3758000       4.370000      0.4026000     -0.6724000E-01  0.5507000
  1 1 1       4   -5   26 o    9.288000      0.2090000       9.431000 0.2902000       9.145000      0.3008000      0.2855000      0.4179000
  1 1 1       4   -5   27 o    7.130000      0.2212000       7.231000 0.3049000       7.029000      0.3206000      0.2025000      0.4424000
  1 1 1       4   -5   28 o    6.499000      0.2398000       6.816000 0.3194000       6.182000      0.3578000      0.6333000      0.4796000
  1 1 1       4   -5   29 o    9.343000      0.2307000       9.256000 0.3196000       9.430000      0.3327000     -0.1746000      0.4613000
  1 1 1       4   -5   30 o    9.147000      0.2331000       9.037000 0.3278000       9.257000      0.3314000     -0.2200000      0.4661000
  1 1 1       4   -5   31 o    1.550000      0.4828000       1.739000 0.7260000       1.362000      0.6367000      0.3768000      0.9656000
  1 1 1       4   -5   32 o    2.577000      0.5568000       2.823000 0.7557000       2.331000      0.8180000      0.4917000       1.114000
  1 1 1       4   -5   33 o    6.283000      0.3045000       5.997000 0.4380000       6.569000      0.4232000     -0.5719000      0.6091000
  1 1 1       4   -5   34 o    7.031000      0.2947000       7.142000 0.4002000       6.920000      0.4326000      0.2226000      0.5893000
  1 1 1       4   -5   35 o    2.227000      0.5625000       2.605000 0.8213000       1.848000      0.7689000      0.7568000       1.125000
  1 1 1       4   -5   36 o    4.626000      0.3948000       4.810000 0.5343000       4.442000      0.5814000      0.3681000      0.7896000
  1 1 1       4   -5   37 o    1.820000      0.5378000       1.908000 0.7770000       1.731000      0.7436000      0.1765000       1.076000
  1 1 1       4   -4    0 o    30.07000      0.4049000       29.95000 0.5704000       30.19000      0.5748000     -0.2362000      0.8098000
  1 1 1       4   -4    1 o    8.879000      0.1365000       8.690000 0.1896000       9.069000      0.1965000     -0.3791000      0.2731000
  1 1 1       4   -4    2 o    14.46000      0.2008000       14.47000 0.2839000       14.46000      0.2839000      0.1706000E-01  0.4015000
  1 1 1       4   -4    3 o    12.66000      0.2192000       12.35000 0.2472000       12.96000      0.3622000     -0.6072000      0.4385000
  1 1 1       4   -4    4 o    8.193000      0.1551000       7.853000 0.1993000       8.533000      0.2378000     -0.6797000      0.3102000
  1 1 1       4   -4    5 o    14.77000      0.2332000       14.31000 0.3060000       15.23000      0.3521000     -0.9207000      0.4665000
  1 1 1       4   -4    6 o    12.02000      0.2695000       11.47000 0.3316000       12.57000      0.4249000      -1.108000      0.5390000
  1 1 1       4   -4    7 o    22.82000      0.4349000       22.95000 0.6172000       22.68000      0.6129000      0.2716000      0.8698000
  1 1 1       4   -4    8 o    8.729000      0.1659000       8.368000 0.2731000       9.089000      0.1883000     -0.7213000      0.3317000
  1 1 1       4   -4    9 o    11.82000      0.1659000       11.59000 0.2316000       12.05000      0.2377000     -0.4564000      0.3319000
  1 1 1       4   -4   10 o    23.35000      0.3152000       23.48000 0.4482000       23.23000      0.4434000      0.2485000      0.6305000
  1 1 1       4   -4   11 o    11.35000      0.1649000       11.42000 0.2345000       11.28000      0.2318000      0.1437000      0.3297000
  1 1 1       4   -4   12 o    5.884000      0.1268000       5.795000 0.1794000       5.973000      0.1792000     -0.1785000      0.2535000
  1 1 1       4   -4   13 o    8.905000      0.1457000       8.843000 0.2045000       8.967000      0.2077000     -0.1241000      0.2915000
  1 1 1       4   -4   14 o    17.93000      0.2497000       17.90000 0.3524000       17.96000      0.3539000     -0.6399000E-01  0.4994000
  1 1 1       4   -4   15 o    11.00000      0.1713000       10.92000 0.2404000       11.09000      0.2440000     -0.1648000      0.3425000
  1 1 1       4   -4   16 o    14.04000      0.2070000       13.99000 0.2917000       14.09000      0.2938000     -0.9824000E-01  0.4141000
  1 1 1       4   -4   17 o    4.484000      0.1899000       4.869000 0.2475000       4.099000      0.2880000      0.7693000      0.3798000
  1 1 1       4   -4   18 o    5.499000      0.1728000       5.651000 0.2320000       5.347000      0.2561000      0.3041000      0.3456000
  1 1 1       4   -4   19 o    2.520000      0.2931000       2.393000 0.3975000       2.648000      0.4307000     -0.2547000      0.5861000
  1 1 1       4   -4   21 o    1.407000      0.3959000       1.396000 0.5509000       1.418000      0.5687000     -0.2196000E-01  0.7918000
  1 1 1       4   -4   22 o    2.007000      0.4286000       1.861000 0.5955000       2.154000      0.6164000     -0.2934000      0.8571000
  1 1 1       4   -4   23 o    9.131000      0.2584000       9.776000 0.3537000       8.486000      0.3767000       1.290000      0.5167000
  1 1 1       4   -4   24 o    16.59000      0.3513000       16.61000 0.4893000       16.56000      0.5041000      0.4867000E-01  0.7025000
  1 1 1       4   -4   25 o    5.892000      0.2281000       5.977000 0.3092000       5.807000      0.3353000      0.1702000      0.4561000
  1 1 1       4   -4   26 o    6.223000      0.2266000       5.914000 0.3220000       6.533000      0.3188000     -0.6195000      0.4531000
  1 1 1       4   -4   27 o    2.084000      0.4878000       1.955000 0.6828000       2.214000      0.6968000     -0.2594000      0.9756000
  1 1 1       4   -4   28 o    2.276000      0.4968000       2.398000 0.6775000       2.154000      0.7267000      0.2436000      0.9935000
  1 1 1       4   -4   29 o    3.757000      0.3869000       3.623000 0.5377000       3.890000      0.5565000     -0.2673000      0.7738000
  1 1 1       4   -4   30 o    9.447000      0.2288000       9.406000 0.3191000       9.487000      0.3278000     -0.8139000E-01  0.4575000
  1 1 1       4   -4   31 o    6.598000      0.2744000       6.476000 0.3848000       6.721000      0.3913000     -0.2452000      0.5488000
  1 1 1       4   -4   32 o    3.639000      0.4795000       4.467000 0.5186000       2.811000      0.8066000       1.655000      0.9590000
  1 1 1       4   -4   33 o    6.248000      0.3071000       6.087000 0.4328000       6.409000      0.4358000     -0.3218000      0.6142000
  1 1 1       4   -4   34 o    5.954000      0.3185000       5.556000 0.4736000       6.351000      0.4259000     -0.7944000      0.6370000
  1 1 1       4   -4   35 o    1.466000      0.4729000       1.684000 0.7326000       1.248000      0.5981000      0.4368000      0.9458000
  1 1 1       4   -4   36 o    5.319000      0.3425000       5.063000 0.5023000       5.574000      0.4657000     -0.5108000      0.6850000
  1 1 1       4   -4   37 o    2.935000      0.5266000       2.382000 0.8103000       3.488000      0.6729000      -1.107000       1.053000
  1 1 1       4   -3    0 f    24.73000      0.3348000       24.79000 0.4747000       24.67000      0.4723000      0.1187000      0.6697000
  1 1 1       4   -3    1 o    13.17000      0.1853000       13.17000 0.2615000       13.17000      0.2627000     -0.1335000E-02  0.3707000
  1 1 1       4   -3    2 o    8.169000      0.1245000       8.293000 0.1780000       8.046000      0.1740000      0.2462000      0.2489000
  1 1 1       4   -3    3 o    13.28000      0.1845000       13.14000 0.2580000       13.42000      0.2639000     -0.2744000      0.3690000
  1 1 1       4   -3    4 o    13.61000      0.2675000       13.39000 0.3756000       13.83000      0.3811000     -0.4370000      0.5350000
  1 1 1       4   -3    5 o    7.453000      0.1614000       7.065000 0.2185000       7.842000      0.2376000     -0.7765000      0.3228000
  1 1 1       4   -3    6 o    19.77000      0.3345000       20.25000 0.5484000       19.29000      0.3830000      0.9545000      0.6689000
  1 1 1       4   -3    7 o    13.28000      0.2449000       12.97000 0.4109000       13.59000      0.2664000     -0.6149000      0.4898000
  1 1 1       4   -3    8 o    8.725000      0.1275000       8.654000 0.1809000       8.796000      0.1797000     -0.1424000      0.2550000
  1 1 1       4   -3    9 o    10.54000      0.1498000       10.54000 0.2123000       10.54000      0.2115000      0.5935000E-02  0.2996000
  1 1 1       4   -3   10 o    16.35000      0.3174000       16.35000 0.3174000                  ?              ?              ?              ?
  1 1 1       4   -3   11 o    18.24000      0.2503000       18.39000 0.3573000       18.08000      0.3505000      0.3048000      0.5005000
  1 1 1       4   -3   12 o    5.711000      0.1787000                  ?       ?   5.711000      0.1787000                  ?              ?
  1 1 1       4   -3   13 o    13.59000      0.1955000       13.68000 0.2786000       13.50000      0.2745000      0.1784000      0.3911000
  1 1 1       4   -3   14 o    13.78000      0.1990000       14.03000 0.2855000       13.52000      0.2774000      0.5093000      0.3980000
  1 1 1       4   -3   15 o    11.34000      0.1740000       11.44000 0.2464000       11.24000      0.2458000      0.2006000      0.3481000
  1 1 1       4   -3   16 o    6.774000      0.1510000       7.076000 0.2080000       6.473000      0.2190000      0.6030000      0.3020000
  1 1 1       4   -3   17 o    12.43000      0.1918000       12.23000 0.2681000       12.63000      0.2744000     -0.3965000      0.3836000
  1 1 1       4   -3   18 o    8.559000      0.1643000       8.432000 0.2289000       8.687000      0.2357000     -0.2552000      0.3286000
  1 1 1       4   -3   19 o    6.236000      0.1717000       6.239000 0.2351000       6.233000      0.2502000      0.6719000E-02  0.3433000
  1 1 1       4   -3   20 o    7.275000      0.2500000       7.051000 0.3642000       7.498000      0.3426000     -0.4471000      0.5000000
  1 1 1       4   -3   21 o    5.278000      0.2844000       5.256000 0.4219000       5.299000      0.3817000     -0.4380000E-01  0.5689000
  1 1 1       4   -3   22 o    2.386000      0.3948000       2.195000 0.5730000       2.576000      0.5434000     -0.3813000      0.7896000
  1 1 1       4   -3   23 o    7.628000      0.1929000       7.550000 0.2712000       7.706000      0.2744000     -0.1557000      0.3858000
  1 1 1       4   -3   24 o    15.33000      0.3337000       15.81000 0.4743000       14.85000      0.4696000      0.9587000      0.6674000
  1 1 1       4   -3   25 o    8.516000      0.2519000       8.294000 0.2852000       8.739000      0.4154000     -0.4451000      0.5039000
  1 1 1       4   -3   26 o    5.356000      0.2444000       5.435000 0.3370000       5.276000      0.3541000      0.1588000      0.4889000
  1 1 1       4   -3   27 o    8.584000      0.2111000       8.614000 0.2942000       8.553000      0.3028000      0.6091000E-01  0.4222000
  1 1 1       4   -3   28 o    4.631000      0.3000000       4.814000 0.3980000       4.449000      0.4490000      0.3647000      0.6000000
  1 1 1       4   -3   29 o    3.375000      0.4317000       4.086000 0.4618000       2.664000      0.7295000       1.422000      0.8634000
  1 1 1       4   -3   30 o    4.141000      0.3620000       3.808000 0.5228000       4.474000      0.5007000     -0.6664000      0.7239000
  1 1 1       4   -3   31 o    8.159000      0.2428000       8.269000 0.3356000       8.049000      0.3511000      0.2198000      0.4857000
  1 1 1       4   -3   32 o    1.647000      0.5000000       1.732000 0.7157000       1.562000      0.6984000      0.1699000       1.000000
  1 1 1       4   -3   33 o    2.349000      0.5663000       2.237000 0.7897000       2.460000      0.8117000     -0.2231000       1.133000
  1 1 1       4   -3   34 o    6.533000      0.2967000       6.767000 0.4020000       6.300000      0.4364000      0.4669000      0.5934000
  1 1 1       4   -3   35 o    3.759000      0.4464000       4.007000 0.5926000       3.510000      0.6678000      0.4967000      0.8928000
  1 1 1       4   -3   36 o    8.158000      0.2573000       8.293000 0.3670000       8.023000      0.3606000      0.2702000      0.5145000
  1 1 1       4   -3   37 o    2.211000      0.6174000       2.494000 0.9693000       1.928000      0.7649000      0.5665000       1.235000
  1 1 1       4   -2    0 o    7.832000      0.1543000       7.957000 0.2530000       7.708000      0.1766000      0.2483000      0.3085000
  1 1 1       4   -2    1 o    10.21000      0.1488000       10.25000 0.2111000       10.18000      0.2099000      0.7719000E-01  0.2977000
  1 1 1       4   -2    2 o    8.196000      0.1233000       8.178000 0.1743000       8.214000      0.1744000     -0.3612000E-01  0.2465000
  1 1 1       4   -2    3 o    6.133000      0.9940000E-01   6.173000 0.1396000       6.093000      0.1415000      0.8021000E-01  0.1988000
  1 1 1       4   -2    4 o    15.70000      0.3012000       15.61000 0.4240000       15.80000      0.4280000     -0.1910000      0.6025000
  1 1 1       4   -2    5 o    4.780000      0.1403000       4.537000 0.1979000       5.023000      0.1989000     -0.4862000      0.2806000
  1 1 1       4   -2    6 o    5.471000      0.3787000       5.119000 0.7387000       5.822000      0.1668000     -0.7025000      0.7573000
  1 1 1       4   -2    7 o    2.358000      0.1107000       2.179000 0.1775000       2.536000      0.1322000     -0.3571000      0.2214000
  1 1 1       4   -2    8 o    29.95000      0.4010000       29.51000 0.5584000       30.40000      0.5756000     -0.8863000      0.8019000
  1 1 1       4   -2    9 o    25.74000      0.3460000       25.89000 0.4928000       25.58000      0.4859000      0.3098000      0.6921000
  1 1 1       4   -2   10 o    18.38000      0.3549000       18.38000 0.3549000                  ?              ?              ?              ?
  1 1 1       4   -2   11 o    11.40000      0.1648000       11.46000 0.2335000       11.35000      0.2326000      0.1182000      0.3296000
  1 1 1       4   -2   12 f    11.02000      0.2308000                  ?       ?   11.02000      0.2308000                  ?              ?
  1 1 1       4   -2   13 o    11.55000      0.1708000       11.58000 0.2418000       11.52000      0.2413000      0.6206000E-01  0.3416000
  1 1 1       4   -2   14 o    12.80000      0.1872000       13.07000 0.2689000       12.54000      0.2604000      0.5276000      0.3743000
  1 1 1       4   -2   15 o    5.348000      0.1706000       5.656000 0.2659000       5.040000      0.2140000      0.6156000      0.3413000
  1 1 1       4   -2   16 o    2.275000      0.2858000       1.985000 0.4379000       2.565000      0.3675000     -0.5806000      0.5717000
  1 1 1       4   -2   17 o    10.30000      0.1698000       10.31000 0.2383000       10.29000      0.2419000      0.1531000E-01  0.3396000
  1 1 1       4   -2   18 o    4.589000      0.1836000       4.697000 0.2460000       4.481000      0.2726000      0.2152000      0.3672000
  1 1 1       4   -2   19 f    3.914000      0.2236000       4.196000 0.2747000       3.632000      0.3528000      0.5633000      0.4472000
  1 1 1       4   -2   20 o    4.006000      0.2303000       4.296000 0.2997000       3.716000      0.3498000      0.5802000      0.4607000
  1 1 1       4   -2   21 o    5.476000      0.2809000       5.289000 0.4298000       5.662000      0.3618000     -0.3729000      0.5618000
  1 1 1       4   -2   22 o    6.587000      0.1892000       6.781000 0.2654000       6.393000      0.2696000      0.3879000      0.3784000
  1 1 1       4   -2   23 o    3.813000      0.2773000       4.025000 0.3571000       3.600000      0.4244000      0.4245000      0.5547000
  1 1 1       4   -2   24 o    16.58000      0.3528000       16.37000 0.4861000       16.78000      0.5116000     -0.4094000      0.7057000
  1 1 1       4   -2   25 o    2.711000      0.5074000       1.938000 0.7076000       3.483000      0.7274000      -1.545000       1.015000
  1 1 1       4   -2   26 o    7.769000      0.2053000       7.460000 0.2875000       8.079000      0.2931000     -0.6187000      0.4106000
  1 1 1       4   -2   27 o    9.023000      0.2090000       9.016000 0.2893000       9.030000      0.3016000     -0.1339000E-01  0.4179000
  1 1 1       4   -2   28 o    13.87000      0.2340000       13.94000 0.3296000       13.80000      0.3323000      0.1373000      0.4680000
  1 1 1       4   -2   29 o    7.866000      0.2281000       8.145000 0.3139000       7.587000      0.3311000      0.5587000      0.4562000
  1 1 1       4   -2   30 o    3.026000      0.4561000       2.035000 0.7245000       4.016000      0.5542000      -1.981000      0.9122000
  1 1 1       4   -2   31 o    4.898000      0.3192000       4.728000 0.4555000       5.068000      0.4473000     -0.3403000      0.6384000
  1 1 1       4   -2   32 f    3.530000      0.4796000       4.137000 0.5725000       2.922000      0.7697000       1.214000      0.9593000
  1 1 1       4   -2   33 o    4.610000      0.3878000       4.804000 0.5197000       4.416000      0.5757000      0.3877000      0.7756000
  1 1 1       4   -2   34 o    2.111000      0.5340000       1.660000 0.7220000       2.563000      0.7868000     -0.9030000       1.068000
  1 1 1       4   -2   35 o    4.676000      0.3747000       4.433000 0.5560000       4.918000      0.5025000     -0.4852000      0.7495000
  1 1 1       4   -2   36 o    3.830000      0.4556000       3.357000 0.7304000       4.303000      0.5449000     -0.9457000      0.9112000
  1 1 1       4   -2   37 o    4.669000      0.3812000       5.209000 0.4860000       4.129000      0.5875000       1.080000      0.7625000
  1 1 1       4   -1    0 o    4.918000      0.1035000       4.908000 0.1460000       4.928000      0.1469000     -0.2023000E-01  0.2071000
  1 1 1       4   -1    1 o    5.000000      0.9797000E-01   4.912000 0.1372000       5.088000      0.1399000     -0.1761000      0.1959000
  1 1 1       4   -1    2 o    10.79000      0.1522000       10.74000 0.2142000       10.84000      0.2163000     -0.1024000      0.3044000
  1 1 1       4   -1    3 f    11.42000      0.1585000       11.35000 0.2229000       11.49000      0.2254000     -0.1390000      0.3169000
  1 1 1       4   -1    4 o    12.42000      0.2071000       12.41000 0.3376000       12.44000      0.2401000     -0.3297000E-01  0.4143000
  1 1 1       4   -1    5 o    2.329000      0.3883000       2.829000 0.2864000       1.829000      0.7219000       1.000000      0.7766000
  1 1 1       4   -1    6 o    27.19000      0.5141000       27.17000 0.7262000       27.22000      0.7279000     -0.5328000E-01   1.028000
  1 1 1       4   -1    7 o    22.15000      0.3668000       22.67000 0.6084000       21.64000      0.4098000       1.030000      0.7336000
  1 1 1       4   -1    8 o    14.50000      0.2416000       14.38000 0.3932000       14.62000      0.2810000     -0.2373000      0.4833000
  1 1 1       4   -1    9 o    8.417000      0.1545000       8.502000 0.2540000       8.332000      0.1759000      0.1698000      0.3090000
  1 1 1       4   -1   10 o    8.124000      0.1249000       8.046000 0.1746000       8.202000      0.1787000     -0.1568000      0.2498000
  1 1 1       4   -1   11 o    26.45000      0.3565000       26.36000 0.5027000       26.54000      0.5056000     -0.1781000      0.7130000
  1 1 1       4   -1   12 o    21.72000      0.2956000       21.60000 0.4158000       21.84000      0.4203000     -0.2467000      0.5912000
  1 1 1       4   -1   13 o    9.682000      0.1501000       9.587000 0.2110000       9.778000      0.2136000     -0.1912000      0.3002000
  1 1 1       4   -1   14 o    6.018000      0.1630000       5.755000 0.1865000       6.282000      0.2674000     -0.5264000      0.3261000
  1 1 1       4   -1   15 o    8.257000      0.1461000       8.150000 0.2037000       8.364000      0.2096000     -0.2139000      0.2923000
  1 1 1       4   -1   16 o    5.381000      0.1489000       5.105000 0.2088000       5.656000      0.2123000     -0.5502000      0.2978000
  1 1 1       4   -1   17 o    6.520000      0.1514000       6.434000 0.2098000       6.606000      0.2185000     -0.1726000      0.3029000
  1 1 1       4   -1   18 o    7.485000      0.1579000       7.539000 0.2207000       7.432000      0.2258000      0.1070000      0.3157000
  1 1 1       4   -1   19 o    4.364000      0.1971000       4.573000 0.2573000       4.155000      0.2986000      0.4174000      0.3941000
  1 1 1       4   -1   20 o    4.676000      0.2010000       4.730000 0.2786000       4.622000      0.2900000      0.1085000      0.4021000
  1 1 1       4   -1   21 o    5.275000      0.2694000       5.391000 0.3839000       5.158000      0.3781000      0.2328000      0.5389000
  1 1 1       4   -1   22 o    5.965000      0.1955000       5.599000 0.2812000       6.332000      0.2718000     -0.7330000      0.3911000
  1 1 1       4   -1   23 o    5.009000      0.2158000       5.136000 0.3003000       4.882000      0.3100000      0.2549000      0.4316000
  1 1 1       4   -1   24 o    9.617000      0.2739000       9.716000 0.3721000       9.519000      0.4021000      0.1972000      0.5478000
  1 1 1       4   -1   25 o    5.017000      0.3425000       4.938000 0.4478000       5.097000      0.5185000     -0.1596000      0.6851000
  1 1 1       4   -1   26 o    9.501000      0.2006000       9.203000 0.2806000       9.800000      0.2869000     -0.5969000      0.4013000
  1 1 1       4   -1   27 o    4.247000      0.2977000       4.058000 0.4288000       4.435000      0.4130000     -0.3766000      0.5954000
  1 1 1       4   -1   28 o    12.39000      0.2220000       12.36000 0.3113000       12.41000      0.3165000     -0.5295000E-01  0.4439000
  1 1 1       4   -1   29 o    3.870000      0.3517000       3.852000 0.4913000       3.887000      0.5033000     -0.3499000E-01  0.7034000
  1 1 1       4   -1   30 o    2.553000      0.4913000       2.121000 0.7128000       2.986000      0.6764000     -0.8656000      0.9826000
  1 1 1       4   -1   31 o    5.211000      0.3057000       5.506000 0.4015000       4.916000      0.4610000      0.5908000      0.6114000
  1 1 1       4   -1   32 o    8.423000      0.2522000       7.951000 0.3641000       8.895000      0.3490000     -0.9434000      0.5043000
  1 1 1       4   -1   33 o    2.905000      0.5244000       2.868000 0.7490000       2.941000      0.7341000     -0.7323000E-01   1.049000
  1 1 1       4   -1   34 o    6.149000      0.2920000       5.989000 0.4142000       6.310000      0.4118000     -0.3205000      0.5840000
  1 1 1       4   -1   35 o    2.846000      0.5382000       2.403000 0.7854000       3.288000      0.7361000     -0.8849000       1.076000
  1 1 1       4   -1   36 o    2.738000      0.5455000       3.149000 0.7476000       2.327000      0.7946000      0.8226000       1.091000
  1 1 1       4   -1   37 o    6.083000      0.3001000       6.004000 0.4391000       6.162000      0.4092000     -0.1574000      0.6002000
  1 1 1       4    0    0 o    13.19000      0.1838000       13.22000 0.2605000       13.16000      0.2593000      0.6489000E-01  0.3675000
  1 1 1       4    0    1 o    18.33000      0.2487000       18.22000 0.3497000       18.44000      0.3537000     -0.2189000      0.4974000
  1 1 1       4    0    2 o    18.45000      0.3078000       18.64000 0.5070000       18.26000      0.3491000      0.3736000      0.6156000
  1 1 1       4    0    3 o    3.467000      0.9561000E-01   3.597000 0.1580000       3.337000      0.1076000      0.2595000      0.1912000
  1 1 1       4    0    4 f    23.01000      0.3755000       22.57000 0.6049000       23.44000      0.4449000     -0.8760000      0.7509000
  1 1 1       4    0    5 o    15.06000      0.4054000                  ?       ?   15.06000      0.4054000                  ?              ?
  1 1 1       4    0    6 o    10.47000      0.2903000                  ?       ?   10.47000      0.2903000                  ?              ?
  1 1 1       4    0    7 o    19.95000      0.5354000                  ?       ?   19.95000      0.5354000                  ?              ?
  1 1 1       4    0    8 o    14.12000      0.2335000       13.79000 0.3759000       14.44000      0.2772000     -0.6462000      0.4670000
  1 1 1       4    0    9 o    11.94000      0.2029000       11.94000 0.3316000       11.94000      0.2340000     -0.3280000E-02  0.4058000
  1 1 1       4    0   10 o    10.71000      0.1861000       10.56000 0.3014000       10.85000      0.2186000     -0.2928000      0.3723000
  1 1 1       4    0   11 o    17.22000      0.2358000       17.18000 0.3325000       17.26000      0.3344000     -0.8016000E-01  0.4716000
  1 1 1       4    0   12 o    9.524000      0.1445000       9.531000 0.2035000       9.518000      0.2051000      0.1344000E-01  0.2889000
  1 1 1       4    0   13 o    9.512000      0.1489000       9.686000 0.2133000       9.338000      0.2078000      0.3477000      0.2978000
  1 1 1       4    0   14 o    7.677000      0.1350000       7.615000 0.1899000       7.738000      0.1921000     -0.1231000      0.2701000
  1 1 1       4    0   15 o    4.609000      0.1468000       5.017000 0.1948000       4.201000      0.2198000      0.8159000      0.2937000
  1 1 1       4    0   16 o    8.383000      0.1495000       8.308000 0.2095000       8.458000      0.2133000     -0.1491000      0.2990000
  1 1 1       4    0   17 o    6.540000      0.1509000       6.574000 0.2093000       6.506000      0.2173000      0.6799000E-01  0.3017000
  1 1 1       4    0   18 o    5.668000      0.1612000       5.745000 0.2245000       5.590000      0.2315000      0.1543000      0.3225000
  1 1 1       4    0   19 f    2.151000      0.3206000       2.859000 0.3529000       1.443000      0.5354000       1.416000      0.6413000
  1 1 1       4    0   20 o    5.180000      0.1848000       5.000000 0.2626000       5.360000      0.2602000     -0.3605000      0.3697000
  1 1 1       4    0   21 o    1.749000      0.4523000       1.563000 0.6277000       1.936000      0.6514000     -0.3730000      0.9046000
  1 1 1       4    0   22 o    5.043000      0.2079000       4.826000 0.3032000       5.259000      0.2845000     -0.4335000      0.4157000
  1 1 1       4    0   23 o    2.277000      0.4079000       2.152000 0.5836000       2.402000      0.5700000     -0.2503000      0.8157000
  1 1 1       4    0   24 o    3.114000      0.4834000       3.243000 0.6322000       2.986000      0.7314000      0.2567000      0.9668000
  1 1 1       4    0   25 o    2.701000      0.5210000       3.214000 0.6587000       2.188000      0.8074000       1.026000       1.042000
  1 1 1       4    0   26 o    3.992000      0.2840000       3.679000 0.4173000       4.305000      0.3853000     -0.6259000      0.5679000
  1 1 1       4    0   27 o    2.922000      0.4083000       2.658000 0.6055000       3.187000      0.5478000     -0.5285000      0.8165000
  1 1 1       4    0   28 f    3.712000      0.3368000       3.840000 0.4571000       3.584000      0.4947000      0.2569000      0.6735000
  1 1 1       4    0   29 o    12.98000      0.2293000       13.01000 0.3212000       12.95000      0.3273000      0.6549000E-01  0.4586000
  1 1 1       4    0   30 o    3.437000      0.4148000       3.260000 0.6133000       3.614000      0.5585000     -0.3547000      0.8295000
  1 1 1       4    0   31 o    10.88000      0.2292000       11.11000 0.3227000       10.65000      0.3255000      0.4684000      0.4584000
  1 1 1       4    0   32 o    8.481000      0.2428000       8.408000 0.3351000       8.555000      0.3516000     -0.1470000      0.4857000
  1 1 1       4    0   33 o    6.652000      0.2775000       6.718000 0.3872000       6.585000      0.3975000      0.1330000      0.5549000
  1 1 1       4    0   34 o    7.879000      0.2568000       7.862000 0.3641000       7.896000      0.3623000     -0.3383000E-01  0.5136000
  1 1 1       4    0   35 o    2.201000      0.5441000       1.851000 0.7546000       2.550000      0.7842000     -0.6989000       1.088000
  1 1 1       4    0   36 o    3.464000      0.4909000       3.386000 0.7063000       3.543000      0.6820000     -0.1570000      0.9818000
  1 1 1       4    0   37 o    2.334000      0.5655000       2.307000 0.8080000       2.361000      0.7915000     -0.5366000E-01   1.131000
  1 1 1       4    0   38 o    5.026000      0.4876000       4.765000 0.7172000       5.288000      0.6607000     -0.5235000      0.9752000
  1 1 1       4    1    0 o    18.72000      0.2545000       18.88000 0.3631000       18.55000      0.3566000      0.3276000      0.5089000
  1 1 1       4    1    1 o    14.30000      0.2399000       14.23000 0.3907000       14.36000      0.2787000     -0.1323000      0.4799000
  1 1 1       4    1    2 o    13.41000      0.2283000       14.02000 0.3834000       12.79000      0.2480000       1.226000      0.4566000
  1 1 1       4    1    3 o    6.869000      0.1238000       7.077000 0.2051000       6.661000      0.1387000      0.4159000      0.2476000
  1 1 1       4    1    4 o    6.406000      0.1832000                  ?       ?   6.406000      0.1832000                  ?              ?
  1 1 1       4    1    7 o    13.03000      0.3532000                  ?       ?   13.03000      0.3532000                  ?              ?
  1 1 1       4    1    8 o    19.31000      0.3202000       19.60000 0.5277000       19.01000      0.3627000      0.5924000      0.6404000
  1 1 1       4    1    9 o    3.044000      0.1320000       3.056000 0.1776000       3.032000      0.1953000      0.2391000E-01  0.2640000
  1 1 1       4    1   10 o    8.224000      0.1750000       8.227000 0.2457000       8.221000      0.2491000      0.6789000E-02  0.3499000
  1 1 1       4    1   11 o    21.11000      0.2868000       21.33000 0.4086000       20.88000      0.4027000      0.4487000      0.5737000
  1 1 1       4    1   12 o    4.356000      0.1168000       4.397000 0.1622000       4.314000      0.1681000      0.8367000E-01  0.2336000
  1 1 1       4    1   13 o    2.161000      0.1968000       2.284000 0.2474000       2.038000      0.3061000      0.2460000      0.3936000
  1 1 1       4    1   14 o    4.210000      0.1355000       4.128000 0.1887000       4.292000      0.1946000     -0.1633000      0.2710000
  1 1 1       4    1   15 o    16.19000      0.2283000       16.18000 0.3220000       16.21000      0.3237000     -0.3639000E-01  0.4566000
  1 1 1       4    1   16 o    7.548000      0.1439000       7.690000 0.2009000       7.405000      0.2061000      0.2842000      0.2878000
  1 1 1       4    1   17 o    3.104000      0.2099000       3.371000 0.2645000       2.838000      0.3259000      0.5337000      0.4197000
  1 1 1       4    1   18 o    8.280000      0.1579000       8.533000 0.2238000       8.028000      0.2229000      0.5054000      0.3159000
  1 1 1       4    1   19 o    6.564000      0.1598000       6.574000 0.2235000       6.555000      0.2285000      0.1826000E-01  0.3197000
  1 1 1       4    1   20 o    1.682000      0.3876000       1.713000 0.5469000       1.651000      0.5493000      0.6237000E-01  0.7751000
  1 1 1       4    1   21 o    7.360000      0.2325000       7.243000 0.3328000       7.476000      0.3247000     -0.2334000      0.4649000
  1 1 1       4    1   22 o    7.163000      0.1788000       7.261000 0.2549000       7.064000      0.2509000      0.1967000      0.3577000
  1 1 1       4    1   23 o    4.863000      0.2182000       4.518000 0.3238000       5.209000      0.2925000     -0.6907000      0.4364000
  1 1 1       4    1   24 f    6.666000      0.2860000       6.589000 0.3889000       6.742000      0.4195000     -0.1527000      0.5721000
  1 1 1       4    1   25 o    5.787000      0.2156000       5.770000 0.3066000       5.804000      0.3033000     -0.3472000E-01  0.4313000
  1 1 1       4    1   26 o    4.725000      0.2496000       4.715000 0.3498000       4.735000      0.3561000     -0.2010000E-01  0.4992000
  1 1 1       4    1   27 o    1.560000      0.4284000       1.263000 0.5689000       1.857000      0.6406000     -0.5944000      0.8567000
  1 1 1       4    1   28 o    9.665000      0.2063000       9.782000 0.2912000       9.548000      0.2924000      0.2335000      0.4127000
  1 1 1       4    1   29 o    12.07000      0.2225000       11.98000 0.3113000       12.16000      0.3182000     -0.1783000      0.4451000
  1 1 1       4    1   30 o    2.846000      0.4556000       2.641000 0.6845000       3.051000      0.6013000     -0.4094000      0.9111000
  1 1 1       4    1   31 o    6.435000      0.2530000       6.982000 0.3414000       5.887000      0.3735000       1.095000      0.5060000
  1 1 1       4    1   32 o    3.542000      0.4291000       3.226000 0.6704000       3.858000      0.5358000     -0.6323000      0.8582000
  1 1 1       4    1   33 o    5.560000      0.3008000       5.732000 0.4249000       5.387000      0.4259000      0.3453000      0.6016000
  1 1 1       4    1   34 o    7.720000      0.2596000       7.719000 0.3682000       7.721000      0.3661000     -0.2509000E-02  0.5192000
  1 1 1       4    1   35 o    4.624000      0.3658000       4.409000 0.5623000       4.839000      0.4682000     -0.4295000      0.7317000
  1 1 1       4    1   36 o    5.027000      0.3414000       4.871000 0.5099000       5.183000      0.4541000     -0.3121000      0.6828000
  1 1 1       4    1   37 o    2.507000      0.5804000       3.398000 0.8983000       1.616000      0.7353000       1.782000       1.161000
  1 1 1       4    1   38 o    5.273000      0.4551000       5.338000 0.6623000       5.209000      0.6243000      0.1291000      0.9102000
  1 1 1       4    2    0 f    15.15000      0.2084000       15.20000 0.2957000       15.11000      0.2938000      0.9426000E-01  0.4169000
  1 1 1       4    2    1 f    8.970000      0.1303000       8.939000 0.1837000       9.001000      0.1849000     -0.6221000E-01  0.2606000
  1 1 1       4    2    2 o    15.78000      0.2637000       15.94000 0.4336000       15.61000      0.3002000      0.3310000      0.5274000
  1 1 1       4    2    3 o    10.17000      0.1740000       10.34000 0.2872000       10.01000      0.1965000      0.3259000      0.3480000
  1 1 1       4    2    4 o    12.29000      0.2358000       11.95000 0.3249000       12.63000      0.3418000     -0.6832000      0.4716000
  1 1 1       4    2    5 o    17.38000      0.4730000                  ?       ?   17.38000      0.4730000                  ?              ?
  1 1 1       4    2    6 o    5.287000      0.1700000       4.915000 0.2871000       5.659000      0.1822000     -0.7442000      0.3400000
  1 1 1       4    2    7 o    8.502000      0.1682000                  ?       ?   8.502000      0.1682000                  ?              ?
  1 1 1       4    2    8 o    14.87000      0.2484000       15.07000 0.4089000       14.66000      0.2823000      0.4029000      0.4968000
  1 1 1       4    2    9 o    5.464000      0.1164000       5.723000 0.1903000       5.205000      0.1343000      0.5181000      0.2329000
  1 1 1       4    2   10 f    17.91000      0.2978000       18.18000 0.3501000       17.64000      0.4820000      0.5392000      0.5957000
  1 1 1       4    2   11 o    22.14000      0.4243000       22.14000 0.4243000                  ?              ?              ?              ?
  1 1 1       4    2   12 o    9.996000      0.1511000       10.30000 0.2162000       9.693000      0.2113000      0.6055000      0.3023000
  1 1 1       4    2   13 o    9.149000      0.2088000                  ?       ?   9.149000      0.2088000                  ?              ?
  1 1 1       4    2   14 o    7.852000      0.1361000       7.850000 0.1917000       7.855000      0.1933000     -0.4742000E-02  0.2722000
  1 1 1       4    2   15 o    12.08000      0.1802000       11.95000 0.2519000       12.21000      0.2576000     -0.2679000      0.3603000
  1 1 1       4    2   16 o    6.544000      0.1389000       6.753000 0.1953000       6.335000      0.1976000      0.4177000      0.2778000
  1 1 1       4    2   17 o    1.828000      0.3162000       1.855000 0.4400000       1.801000      0.4543000      0.5404000E-01  0.6325000
  1 1 1       4    2   18 o    4.208000      0.1725000       4.240000 0.2403000       4.176000      0.2475000      0.6395000E-01  0.3450000
  1 1 1       4    2   19 o    5.198000      0.2099000       4.875000 0.3503000       5.520000      0.2312000     -0.6453000      0.4197000
  1 1 1       4    2   20 o    2.415000      0.3739000       3.154000 0.4643000       1.676000      0.5861000       1.477000      0.7478000
  1 1 1       4    2   21 o    3.448000      0.3170000       3.277000 0.4936000       3.620000      0.3979000     -0.3426000      0.6340000
  1 1 1       4    2   22 o    1.905000      0.3933000       1.657000 0.5743000       2.152000      0.5377000     -0.4942000      0.7867000
  1 1 1       4    2   23 o    6.130000      0.2901000       6.254000 0.4095000       6.005000      0.4110000      0.2489000      0.5802000
  1 1 1       4    2   24 o    6.330000      0.2954000       6.051000 0.4186000       6.610000      0.4168000     -0.5585000      0.5908000
  1 1 1       4    2   25 o    11.16000      0.2026000       11.27000 0.2881000       11.04000      0.2848000      0.2238000      0.4052000
  1 1 1       4    2   26 o    6.059000      0.2127000       6.175000 0.3048000       5.943000      0.2968000      0.2320000      0.4254000
  1 1 1       4    2   27 o    3.075000      0.3693000       3.028000 0.5510000       3.121000      0.4919000     -0.9259000E-01  0.7386000
  1 1 1       4    2   28 o    11.35000      0.2120000       11.57000 0.2993000       11.13000      0.3003000      0.4481000      0.4239000
  1 1 1       4    2   29 o    10.30000      0.2143000       10.30000 0.2994000       10.31000      0.3068000     -0.1429000E-01  0.4287000
  1 1 1       4    2   30 o    3.808000      0.3413000       3.451000 0.5264000       4.164000      0.4347000     -0.7121000      0.6827000
  1 1 1       4    2   31 o    6.554000      0.2479000       6.284000 0.3587000       6.823000      0.3422000     -0.5399000      0.4957000
  1 1 1       4    2   32 o    4.278000      0.3365000       4.382000 0.4742000       4.175000      0.4776000      0.2066000      0.6730000
  1 1 1       4    2   33 o    6.743000      0.2689000       6.402000 0.3891000       7.085000      0.3713000     -0.6838000      0.5378000
  1 1 1       4    2   34 o    6.483000      0.2813000       6.627000 0.3888000       6.339000      0.4066000      0.2884000      0.5626000
  1 1 1       4    2   35 o    8.699000      0.2498000       8.734000 0.3534000       8.664000      0.3532000      0.7003000E-01  0.4997000
  1 1 1       4    2   36 o    5.403000      0.3219000       5.390000 0.4622000       5.415000      0.4482000     -0.2453000E-01  0.6438000
  1 1 1       4    2   37 f    1.666000      0.5350000       1.713000 0.7779000       1.620000      0.7347000      0.9327000E-01   1.070000
  1 1 1       4    2   38 o    2.982000      0.5443000       2.872000 0.7900000       3.092000      0.7489000     -0.2200000       1.089000
  1 1 1       4    3    0 o    23.16000      0.3131000       23.55000 0.4499000       22.77000      0.4355000      0.7799000      0.6262000
  1 1 1       4    3    1 o    8.088000      0.1219000       8.022000 0.1712000       8.154000      0.1734000     -0.1322000      0.2437000
  1 1 1       4    3    2 o    12.81000      0.1769000       12.65000 0.2469000       12.97000      0.2533000     -0.3243000      0.3537000
  1 1 1       4    3    3 o    4.217000      0.8236000E-01   4.349000 0.1151000       4.085000      0.1179000      0.2634000      0.1647000
  1 1 1       4    3    4 o    17.37000      0.2856000       17.25000 0.4643000       17.49000      0.3328000     -0.2391000      0.5712000
  1 1 1       4    3    5 f    25.50000      0.4829000       25.86000 0.6934000       25.13000      0.6724000      0.7289000      0.9659000
  1 1 1       4    3    6 o    9.297000      0.2468000       9.284000 0.4066000       9.311000      0.2799000     -0.2780000E-01  0.4936000
  1 1 1       4    3    7 o    21.29000      0.4053000       21.18000 0.5713000       21.40000      0.5752000     -0.2230000      0.8107000
  1 1 1       4    3    8 o    9.225000      0.1316000       9.388000 0.1890000       9.062000      0.1833000      0.3252000      0.2633000
  1 1 1       4    3    9 o    2.741000      0.1105000       2.862000 0.1509000       2.621000      0.1614000      0.2403000      0.2209000
  1 1 1       4    3   10 o    17.16000      0.2349000       17.25000 0.3339000       17.07000      0.3304000      0.1777000      0.4697000
  1 1 1       4    3   11 o    17.82000      0.3465000       17.82000 0.3465000                  ?              ?              ?              ?
  1 1 1       4    3   12 o    18.29000      0.2520000       18.26000 0.3549000       18.33000      0.3579000     -0.7373000E-01  0.5040000
  1 1 1       4    3   13 o    11.42000      0.2416000                  ?       ?   11.42000      0.2416000                  ?              ?
  1 1 1       4    3   14 o    17.73000      0.2473000       17.83000 0.3510000       17.63000      0.3485000      0.1969000      0.4947000
  1 1 1       4    3   15 o    7.070000      0.1752000       7.006000 0.1914000       7.133000      0.2936000     -0.1268000      0.3504000
  1 1 1       4    3   16 o    7.426000      0.1465000       7.154000 0.1977000       7.698000      0.2162000     -0.5437000      0.2930000
  1 1 1       4    3   17 o    12.49000      0.1921000       12.17000 0.2628000       12.81000      0.2804000     -0.6317000      0.3842000
  1 1 1       4    3   18 o    8.099000      0.1602000       7.796000 0.2137000       8.401000      0.2387000     -0.6048000      0.3204000
  1 1 1       4    3   19 o    8.759000      0.2365000       8.481000 0.3165000       9.038000      0.3516000     -0.5575000      0.4731000
  1 1 1       4    3   20 o    1.967000      0.4580000       1.917000 0.5995000       2.017000      0.6925000     -0.1007000      0.9159000
  1 1 1       4    3   21 o    4.354000      0.2254000       4.539000 0.2745000       4.168000      0.3575000      0.3707000      0.4508000
  1 1 1       4    3   22 o    3.008000      0.3052000       2.284000 0.4684000       3.731000      0.3914000      -1.447000      0.6104000
  1 1 1       4    3   23 o    8.813000      0.2676000       8.631000 0.3716000       8.994000      0.3853000     -0.3625000      0.5353000
  1 1 1       4    3   24 o    5.503000      0.2185000       5.473000 0.2880000       5.532000      0.3287000     -0.5921000E-01  0.4370000
  1 1 1       4    3   25 o    1.822000      0.4542000       1.616000 0.6076000       2.028000      0.6753000     -0.4122000      0.9084000
  1 1 1       4    3   26 o    4.917000      0.3220000       4.863000 0.3401000       4.971000      0.5469000     -0.1080000      0.6440000
  1 1 1       4    3   27 o    7.028000      0.2766000       7.087000 0.2894000       6.969000      0.4713000      0.1182000      0.5531000
  1 1 1       4    3   28 o    7.062000      0.2166000       7.151000 0.2961000       6.974000      0.3162000      0.1773000      0.4332000
  1 1 1       4    3   29 o    6.183000      0.2364000       6.175000 0.3362000       6.191000      0.3325000     -0.1647000E-01  0.4728000
  1 1 1       4    3   30 f    9.356000      0.2193000       9.375000 0.3114000       9.337000      0.3089000      0.3769000E-01  0.4386000
  1 1 1       4    3   31 o    9.126000      0.2288000       9.089000 0.3208000       9.163000      0.3263000     -0.7418000E-01  0.4576000
  1 1 1       4    3   32 o    5.884000      0.3663000       5.228000 0.4292000       6.540000      0.5936000      -1.311000      0.7325000
  1 1 1       4    3   33 o    4.407000      0.4958000       4.170000 0.5044000       4.645000      0.8538000     -0.4753000      0.9916000
  1 1 1       4    3   34 o    3.109000      0.5730000       3.137000 0.7286000       3.080000      0.8847000      0.5665000E-01   1.146000
  1 1 1       4    3   35 o    7.649000      0.2866000       8.100000 0.3633000       7.198000      0.4433000      0.9022000      0.5731000
  1 1 1       4    3   36 o    5.378000      0.4810000       5.960000 0.5519000       4.795000      0.7879000       1.165000      0.9619000
  1 1 1       4    3   37 o    2.279000      0.5590000       3.039000 0.8623000       1.520000      0.7115000       1.518000       1.118000
  1 1 1       4    3   38 o    2.347000      0.5621000       2.241000 0.8066000       2.453000      0.7829000     -0.2125000       1.124000
  1 1 1       4    4    0 o    3.429000      0.1099000       3.486000 0.1551000       3.372000      0.1558000      0.1145000      0.2198000
  1 1 1       4    4    1 o    19.03000      0.2594000       19.35000 0.3728000       18.71000      0.3608000      0.6403000      0.5188000
  1 1 1       4    4    2 o    14.48000      0.1988000       14.65000 0.2840000       14.31000      0.2783000      0.3365000      0.3976000
  1 1 1       4    4    3 o    18.13000      0.2447000       18.15000 0.3463000       18.12000      0.3458000      0.2969000E-01  0.4894000
  1 1 1       4    4    4 o    20.13000      0.2710000       20.07000 0.3814000       20.19000      0.3850000     -0.1158000      0.5419000
  1 1 1       4    4    5 o    11.15000      0.2142000       11.26000 0.3359000       11.03000      0.2660000      0.2270000      0.4285000
  1 1 1       4    4    6 o    12.65000      0.1955000       12.65000 0.2917000       12.64000      0.2604000      0.3887000E-02  0.3911000
  1 1 1       4    4    7 o    21.52000      0.4100000       21.44000 0.5773000       21.61000      0.5822000     -0.1718000      0.8199000
  1 1 1       4    4    8 o    14.40000      0.1978000       14.53000 0.2825000       14.27000      0.2771000      0.2555000      0.3957000
  1 1 1       4    4    9 o    4.990000      0.9909000E-01   5.018000 0.1410000       4.963000      0.1393000      0.5519000E-01  0.1982000
  1 1 1       4    4   10 o    12.41000      0.1754000       12.46000 0.2488000       12.37000      0.2472000      0.8897000E-01  0.3507000
  1 1 1       4    4   11 o    13.30000      0.1888000       13.34000 0.2680000       13.26000      0.2661000      0.7851000E-01  0.3777000
  1 1 1       4    4   12 o    12.39000      0.1800000       12.52000 0.2566000       12.25000      0.2523000      0.2699000      0.3599000
  1 1 1       4    4   13 o    10.95000      0.1668000       10.90000 0.2354000       11.01000      0.2364000     -0.1087000      0.3336000
  1 1 1       4    4   14 o    5.689000      0.1386000       5.595000 0.1955000       5.783000      0.1965000     -0.1881000      0.2772000
  1 1 1       4    4   15 o    7.886000      0.1452000       7.712000 0.1997000       8.060000      0.2110000     -0.3478000      0.2905000
  1 1 1       4    4   16 o    8.148000      0.1505000       8.076000 0.2066000       8.220000      0.2190000     -0.1441000      0.3011000
  1 1 1       4    4   17 o    16.59000      0.2385000       16.77000 0.3380000       16.42000      0.3365000      0.3479000      0.4770000
  1 1 1       4    4   18 o    11.91000      0.2657000       12.03000 0.3706000       11.78000      0.3807000      0.2481000      0.5313000
  1 1 1       4    4   19 o    3.100000      0.3445000       2.659000 0.4863000       3.542000      0.4882000     -0.8824000      0.6891000
  1 1 1       4    4   20 o    5.842000      0.1819000       6.227000 0.2327000       5.457000      0.2797000      0.7701000      0.3639000
  1 1 1       4    4   21 o    1.854000      0.4009000       1.990000 0.5209000       1.718000      0.6097000      0.2720000      0.8019000
  1 1 1       4    4   22 o    11.20000      0.2750000       11.20000 0.3821000       11.21000      0.3955000     -0.1292000E-01  0.5500000
  1 1 1       4    4   23 o    3.550000      0.2919000       3.954000 0.3538000       3.146000      0.4644000      0.8082000      0.5838000
  1 1 1       4    4   24 o    5.947000      0.2136000       6.284000 0.2763000       5.611000      0.3259000      0.6730000      0.4273000
  1 1 1       4    4   25 o    7.110000      0.2064000       6.862000 0.2755000       7.359000      0.3075000     -0.4973000      0.4128000
  1 1 1       4    4   26 o    5.741000      0.2381000       5.640000 0.3179000       5.843000      0.3546000     -0.2028000      0.4763000
  1 1 1       4    4   27 o    4.945000      0.2860000       5.372000 0.3264000       4.518000      0.4696000      0.8548000      0.5719000
  1 1 1       4    4   28 f    5.710000      0.2636000       5.624000 0.3431000       5.795000      0.4004000     -0.1717000      0.5273000
  1 1 1       4    4   29 o    6.835000      0.2431000       6.628000 0.3161000       7.042000      0.3695000     -0.4134000      0.4863000
  1 1 1       4    4   30 o    9.666000      0.2334000       9.363000 0.3104000       9.969000      0.3487000     -0.6064000      0.4669000
  1 1 1       4    4   31 o    10.68000      0.2441000       10.23000 0.3225000       11.13000      0.3665000     -0.9011000      0.4882000
  1 1 1       4    4   32 o    3.186000      0.5369000       3.280000 0.6869000       3.092000      0.8252000      0.1881000       1.074000
  1 1 1       4    4   33 o    4.166000      0.4559000       4.607000 0.5320000       3.725000      0.7406000      0.8821000      0.9118000
  1 1 1       4    4   34 o    7.233000      0.2952000       6.950000 0.3907000       7.515000      0.4425000     -0.5648000      0.5903000
  1 1 1       4    4   35 f    3.915000      0.4774000       3.997000 0.6109000       3.833000      0.7338000      0.1635000      0.9548000
  1 1 1       4    4   36 o    3.243000      0.6434000       3.747000 0.8019000       2.740000       1.006000       1.007000       1.287000
  1 1 1       4    4   37 o    3.087000      0.5336000       3.081000 0.7278000       3.092000      0.7805000     -0.1164000E-01   1.067000
  1 1 1       4    4   38 o    1.997000      0.5810000       2.000000 0.8514000       1.993000      0.7909000      0.6850000E-02   1.162000
  1 1 1       4    5    0 o    2.451000      0.1738000       2.441000 0.2819000       2.461000      0.2033000     -0.1949000E-01  0.3475000
  1 1 1       4    5    1 o    25.50000      0.3437000       25.44000 0.4845000       25.57000      0.4875000     -0.1322000      0.6873000
  1 1 1       4    5    2 o    18.18000      0.2467000       18.01000 0.3457000       18.36000      0.3522000     -0.3432000      0.4935000
  1 1 1       4    5    3 o    20.38000      0.2745000       20.05000 0.3819000       20.70000      0.3943000     -0.6507000      0.5490000
  1 1 1       4    5    4 o    9.377000      0.1650000       9.142000 0.1877000       9.611000      0.2715000     -0.4683000      0.3301000
  1 1 1       4    5    5 o    5.956000      0.1528000       5.726000 0.2189000       6.186000      0.2133000     -0.4599000      0.3056000
  1 1 1       4    5    6 o    2.581000      0.3236000       2.626000 0.4574000       2.536000      0.4578000      0.9010000E-01  0.6471000
  1 1 1       4    5    7 o    21.64000      0.3609000       21.96000 0.5931000       21.32000      0.4112000      0.6457000      0.7217000
  1 1 1       4    5    8 o    21.16000      0.3541000       21.77000 0.5882000       20.54000      0.3945000       1.228000      0.7082000
  1 1 1       4    5    9 o    12.93000      0.2235000       13.28000 0.3708000       12.59000      0.2495000      0.6919000      0.4469000
  1 1 1       4    5   10 o    11.69000      0.1674000       11.70000 0.2369000       11.68000      0.2365000      0.2310000E-01  0.3347000
  1 1 1       4    5   11 o    23.12000      0.3136000       23.18000 0.4445000       23.07000      0.4425000      0.1029000      0.6272000
  1 1 1       4    5   12 o    23.50000      0.3197000       23.45000 0.4513000       23.55000      0.4529000     -0.9672000E-01  0.6394000
  1 1 1       4    5   13 o    16.79000      0.2355000       16.82000 0.3338000       16.76000      0.3321000      0.5951000E-01  0.4709000
  1 1 1       4    5   14 o    11.31000      0.1743000       11.22000 0.2458000       11.39000      0.2471000     -0.1672000      0.3486000
  1 1 1       4    5   15 o    4.457000      0.1589000       4.474000 0.2212000       4.440000      0.2282000      0.3350000E-01  0.3178000
  1 1 1       4    5   16 o    6.278000      0.1504000       6.154000 0.2135000       6.403000      0.2119000     -0.2488000      0.3008000
  1 1 1       4    5   17 o    6.156000      0.2114000       6.177000 0.2884000       6.135000      0.3093000      0.4162000E-01  0.4229000
  1 1 1       4    5   18 o    3.814000      0.2744000       3.610000 0.3563000       4.017000      0.4175000     -0.4068000      0.5488000
  1 1 1       4    5   19 o    14.84000      0.2225000       15.29000 0.3193000       14.39000      0.3100000      0.9020000      0.4450000
  1 1 1       4    5   20 o    7.425000      0.2057000       7.274000 0.3349000       7.576000      0.2388000     -0.3013000      0.4114000
  1 1 1       4    5   21 f    3.997000      0.3389000       3.654000 0.4911000       4.340000      0.4671000     -0.6859000      0.6778000
  1 1 1       4    5   22 o    12.13000      0.2040000       12.12000 0.2843000       12.14000      0.2927000     -0.2353000E-01  0.4080000
  1 1 1       4    5   23 o    13.28000      0.2160000       12.99000 0.2993000       13.58000      0.3114000     -0.5993000      0.4319000
  1 1 1       4    5   24 o    13.79000      0.2240000       13.75000 0.3121000       13.82000      0.3214000     -0.7285000E-01  0.4481000
  1 1 1       4    5   25 o    10.62000      0.2021000       10.66000 0.2774000       10.58000      0.2940000      0.8645000E-01  0.4042000
  1 1 1       4    5   26 o    4.608000      0.2731000       4.669000 0.3568000       4.547000      0.4136000      0.1217000      0.5462000
  1 1 1       4    5   27 o    7.461000      0.2133000       7.375000 0.2808000       7.548000      0.3211000     -0.1734000      0.4265000
  1 1 1       4    5   28 f    5.799000      0.2492000       5.528000 0.3305000       6.071000      0.3731000     -0.5430000      0.4984000
  1 1 1       4    5   29 o    6.971000      0.2441000       6.884000 0.3212000       7.059000      0.3677000     -0.1757000      0.4882000
  1 1 1       4    5   30 o    1.893000      0.5076000       1.825000 0.6780000       1.962000      0.7556000     -0.1377000       1.015000
  1 1 1       4    5   31 o    2.826000      0.5259000       2.996000 0.6674000       2.655000      0.8129000      0.3412000       1.052000
  1 1 1       4    5   32 o    5.342000      0.3321000       5.334000 0.4358000       5.349000      0.5012000     -0.1524000E-01  0.6642000
  1 1 1       4    5   33 o    2.584000      0.5739000       2.635000 0.7735000       2.534000      0.8479000      0.1011000       1.148000
  1 1 1       4    5   34 o    6.730000      0.3040000       6.718000 0.3893000       6.741000      0.4669000     -0.2288000E-01  0.6079000
  1 1 1       4    5   35 o    3.195000      0.6606000       3.612000 0.8275000       2.778000       1.030000      0.8340000       1.321000
  1 1 1       4    5   36 o    1.521000      0.4876000       1.621000 0.7068000       1.421000      0.6720000      0.1995000      0.9753000
  1 1 1       4    5   37 o    2.035000      0.5531000       2.057000 0.7729000       2.012000      0.7915000      0.4445000E-01   1.106000
  1 1 1       4    6    0 o    18.16000      0.2493000       18.01000 0.3501000       18.32000      0.3551000     -0.3159000      0.4987000
  1 1 1       4    6    1 o    17.78000      0.2429000       17.94000 0.3464000       17.62000      0.3407000      0.3176000      0.4859000
  1 1 1       4    6    2 o    7.256000      0.1132000       7.345000 0.1609000       7.167000      0.1594000      0.1781000      0.2265000
  1 1 1       4    6    3 o    13.46000      0.1862000       13.28000 0.2591000       13.64000      0.2675000     -0.3581000      0.3724000
  1 1 1       4    6    4 o    14.51000      0.2070000       14.42000 0.2850000       14.60000      0.3003000     -0.1769000      0.4140000
  1 1 1       4    6    5 o    16.17000      0.2485000       15.72000 0.3259000       16.61000      0.3751000     -0.8876000      0.4969000
  1 1 1       4    6    6 o    2.562000      0.3921000       3.138000 0.4613000       1.985000      0.6342000       1.154000      0.7842000
  1 1 1       4    6    7 o    5.133000      0.4898000       5.086000 0.9496000       5.180000      0.2409000     -0.9356000E-01  0.9796000
  1 1 1       4    6    8 o    18.49000      0.2568000       19.03000 0.3761000       17.95000      0.3496000       1.080000      0.5135000
  1 1 1       4    6    9 o    15.20000      0.2116000       15.16000 0.2998000       15.24000      0.2987000     -0.8587000E-01  0.4233000
  1 1 1       4    6   10 o    26.92000      0.3639000       26.62000 0.5102000       27.21000      0.5190000     -0.5876000      0.7277000
  1 1 1       4    6   11 o    32.93000      0.4424000       32.88000 0.6245000       32.98000      0.6268000     -0.1069000      0.8848000
  1 1 1       4    6   12 o    14.68000      0.2940000       14.68000 0.2940000                  ?              ?              ?              ?
  1 1 1       4    6   13 o    9.400000      0.1527000       9.443000 0.2170000       9.357000      0.2149000      0.8612000E-01  0.3054000
  1 1 1       4    6   14 o    10.45000      0.2339000                  ?       ?   10.45000      0.2339000                  ?              ?
  1 1 1       4    6   15 o    10.58000      0.2338000       10.36000 0.3243000       10.80000      0.3370000     -0.4390000      0.4677000
  1 1 1       4    6   16 o    12.96000      0.2723000       13.05000 0.3854000       12.87000      0.3848000      0.1774000      0.5446000
  1 1 1       4    6   17 o    6.052000      0.1626000       6.001000 0.2285000       6.104000      0.2315000     -0.1024000      0.3253000
  1 1 1       4    6   18 o    2.668000      0.2870000       3.037000 0.3513000       2.298000      0.4540000      0.7392000      0.5741000
  1 1 1       4    6   20 o    8.528000      0.2496000       8.602000 0.3465000       8.455000      0.3593000      0.1477000      0.4992000
  1 1 1       4    6   21 o    10.93000      0.1895000       10.78000 0.2614000       11.08000      0.2743000     -0.2974000      0.3789000
  1 1 1       4    6   22 o    3.879000      0.2548000       3.552000 0.3629000       4.206000      0.3577000     -0.6538000      0.5096000
  1 1 1       4    6   23 o    8.133000      0.1882000       7.954000 0.2583000       8.312000      0.2739000     -0.3587000      0.3764000
  1 1 1       4    6   24 o    8.654000      0.1929000       8.312000 0.2640000       8.996000      0.2813000     -0.6844000      0.3858000
  1 1 1       4    6   25 o    3.196000      0.3569000       2.496000 0.5722000       3.896000      0.4266000      -1.400000      0.7137000
  1 1 1       4    6   26 o    11.10000      0.2112000       11.02000 0.2869000       11.17000      0.3099000     -0.1535000      0.4223000
  1 1 1       4    6   27 o    13.04000      0.2257000       13.02000 0.3112000       13.05000      0.3269000     -0.2917000E-01  0.4514000
  1 1 1       4    6   28 o    9.275000      0.2192000       9.281000 0.2909000       9.269000      0.3279000      0.1170000E-01  0.4384000
  1 1 1       4    6   29 o    8.511000      0.2237000       8.220000 0.3035000       8.801000      0.3288000     -0.5806000      0.4475000
  1 1 1       4    6   30 o    3.545000      0.4128000       3.467000 0.5715000       3.624000      0.5957000     -0.1570000      0.8255000
  1 1 1       4    6   31 o    5.593000      0.3013000       5.333000 0.4093000       5.853000      0.4423000     -0.5204000      0.6026000
  1 1 1       4    6   32 o    3.206000      0.4971000       3.750000 0.5680000       2.662000      0.8159000       1.088000      0.9941000
  1 1 1       4    6   33 o    2.140000      0.5562000       2.126000 0.7464000       2.154000      0.8248000     -0.2810000E-01   1.112000
  1 1 1       4    6   34 o    5.253000      0.5274000       6.156000 0.5318000       4.349000      0.9109000       1.807000       1.055000
  1 1 1       4    6   35 o    3.055000      0.5293000       3.330000 0.6417000       2.779000      0.8420000      0.5518000       1.059000
  1 1 1       4    6   36 o    2.330000      0.5680000       2.473000 0.7808000       2.187000      0.8250000      0.2858000       1.136000
  1 1 1       4    6   37 o    2.409000      0.6645000       2.069000 0.8811000       2.749000      0.9949000     -0.6797000       1.329000
  1 1 1       4    7    0 o    18.81000      0.2578000       18.50000 0.3589000       19.12000      0.3702000     -0.6253000      0.5156000
  1 1 1       4    7    1 f    31.41000      0.4219000       31.61000 0.6011000       31.20000      0.5922000      0.4102000      0.8438000
  1 1 1       4    7    2 o    25.42000      0.3425000       25.56000 0.4863000       25.28000      0.4826000      0.2796000      0.6851000
  1 1 1       4    7    3 o    24.65000      0.4057000       25.37000 0.4836000       23.94000      0.6516000       1.427000      0.8115000
  1 1 1       4    7    4 o    10.31000      0.1670000       10.34000 0.2225000       10.28000      0.2491000      0.5856000E-01  0.3340000
  1 1 1       4    7    5 o    21.23000      0.3115000       20.63000 0.4167000       21.83000      0.4632000      -1.194000      0.6230000
  1 1 1       4    7    6 o    2.827000      0.4593000       2.975000 0.6330000       2.678000      0.6657000      0.2966000      0.9186000
  1 1 1       4    7    7 o    5.149000      0.2222000       5.657000 0.2720000       4.640000      0.3515000       1.017000      0.4444000
  1 1 1       4    7    8 o    10.05000      0.2482000       10.05000 0.2482000                  ?              ?              ?              ?
  1 1 1       4    7    9 o    9.778000      0.1552000       9.667000 0.2215000       9.889000      0.2176000     -0.2222000      0.3105000
  1 1 1       4    7   10 o    15.96000      0.2232000       15.94000 0.3167000       15.98000      0.3147000     -0.3167000E-01  0.4465000
  1 1 1       4    7   11 o    15.89000      0.2226000       15.73000 0.3130000       16.05000      0.3166000     -0.3184000      0.4452000
  1 1 1       4    7   12 o    14.93000      0.2998000       14.93000 0.2998000                  ?              ?              ?              ?
  1 1 1       4    7   13 o    11.20000      0.2356000       11.25000 0.3335000       11.15000      0.3330000      0.9822000E-01  0.4713000
  1 1 1       4    7   14 o    10.16000      0.3182000                  ?       ?   10.16000      0.3182000                  ?              ?
  1 1 1       4    7   15 o    6.944000      0.1479000       7.028000 0.2119000       6.860000      0.2062000      0.1677000      0.2957000
  1 1 1       4    7   16 o    11.49000      0.1819000       11.65000 0.2615000       11.32000      0.2528000      0.3305000      0.3637000
  1 1 1       4    7   17 o    8.397000      0.2446000       8.685000 0.3576000       8.109000      0.3338000      0.5766000      0.4892000
  1 1 1       4    7   18 o    2.110000      0.4771000       2.054000 0.7126000       2.166000      0.6345000     -0.1127000      0.9542000
  1 1 1       4    7   19 o    10.11000      0.2130000       10.44000 0.3446000       9.789000      0.2503000      0.6503000      0.4259000
  1 1 1       4    7   20 o    5.434000      0.2541000       5.300000 0.3449000       5.569000      0.3733000     -0.2686000      0.5083000
  1 1 1       4    7   21 o    6.150000      0.1917000       6.194000 0.2696000       6.105000      0.2726000      0.8888000E-01  0.3834000
  1 1 1       4    7   22 o    10.50000      0.1909000       10.18000 0.2632000       10.81000      0.2767000     -0.6234000      0.3819000
  1 1 1       4    7   23 o    4.590000      0.2311000       4.657000 0.3065000       4.522000      0.3461000      0.1351000      0.4622000
  1 1 1       4    7   24 o    6.772000      0.1990000       6.849000 0.2703000       6.695000      0.2920000      0.1539000      0.3979000
  1 1 1       4    7   25 o    9.753000      0.2003000       9.282000 0.2709000       10.22000      0.2951000     -0.9412000      0.4006000
  1 1 1       4    7   26 o    12.63000      0.2195000       12.44000 0.3023000       12.81000      0.3184000     -0.3650000      0.4391000
  1 1 1       4    7   27 o    7.311000      0.2177000       7.414000 0.2835000       7.207000      0.3306000      0.2068000      0.4355000
  1 1 1       4    7   28 o    1.789000      0.4684000       2.061000 0.6641000       1.517000      0.6606000      0.5436000      0.9367000
  1 1 1       4    7   29 o    2.698000      0.4823000       2.421000 0.6805000       2.975000      0.6835000     -0.5539000      0.9645000
  1 1 1       4    7   30 o    6.252000      0.2669000       6.274000 0.3526000       6.230000      0.4008000      0.4468000E-01  0.5338000
  1 1 1       4    7   31 o    3.431000      0.4548000       3.180000 0.6189000       3.682000      0.6665000     -0.5027000      0.9095000
  1 1 1       4    7   32 o    4.643000      0.3783000       4.591000 0.4995000       4.695000      0.5683000     -0.1037000      0.7566000
  1 1 1       4    7   33 o    1.898000      0.5947000       1.736000 0.7797000       2.061000      0.8982000     -0.3245000       1.189000
  1 1 1       4    7   34 o    1.533000      0.4944000       1.350000 0.6256000       1.716000      0.7658000     -0.3659000      0.9888000
  1 1 1       4    7   35 o    3.086000      0.5572000       3.236000 0.6930000       2.935000      0.8727000      0.3015000       1.114000
  1 1 1       4    7   36 o    1.568000      0.5315000       1.587000 0.7546000       1.549000      0.7487000      0.3751000E-01   1.063000
  1 1 1       4    7   37 o    2.073000      0.6146000       2.562000 0.9693000       1.585000      0.7561000      0.9777000       1.229000
  1 1 1       4    8    0 o    26.50000      0.3577000       26.31000 0.5022000       26.70000      0.5094000     -0.3884000      0.7153000
  1 1 1       4    8    1 o    14.82000      0.2058000       15.15000 0.2961000       14.50000      0.2859000      0.6501000      0.4116000
  1 1 1       4    8    2 o    17.31000      0.2377000       17.09000 0.3315000       17.52000      0.3408000     -0.4285000      0.4755000
  1 1 1       4    8    3 o    10.54000      0.1908000       10.46000 0.2238000       10.62000      0.3090000     -0.1641000      0.3815000
  1 1 1       4    8    4 o    13.53000      0.3360000       13.92000 0.4064000       13.14000      0.5353000      0.7768000      0.6721000
  1 1 1       4    8    5 o    12.85000      0.2306000       12.89000 0.3171000       12.81000      0.3350000      0.7367000E-01  0.4613000
  1 1 1       4    8    6 o    18.12000      0.3000000       17.74000 0.4347000       18.50000      0.4136000     -0.7543000      0.6000000
  1 1 1       4    8    7 o    22.83000      0.3329000       23.06000 0.4883000       22.60000      0.4527000      0.4550000      0.6658000
  1 1 1       4    8    8 o    22.05000      0.3118000       21.90000 0.4448000       22.20000      0.4371000     -0.3006000      0.6236000
  1 1 1       4    8    9 o    11.50000      0.1822000       11.55000 0.2680000       11.45000      0.2471000      0.1061000      0.3645000
  1 1 1       4    8   10 o    23.80000      0.4604000       23.58000 0.6485000       24.02000      0.6537000     -0.4411000      0.9208000
  1 1 1       4    8   11 o    20.73000      0.4037000       20.72000 0.5726000       20.74000      0.5693000     -0.2180000E-01  0.8074000
  1 1 1       4    8   12 o    16.14000      0.3189000       16.43000 0.4598000       15.86000      0.4419000      0.5695000      0.6377000
  1 1 1       4    8   13 o    10.10000      0.1615000       9.979000 0.2283000       10.22000      0.2284000     -0.2380000      0.3229000
  1 1 1       4    8   14 o    4.044000      0.1604000       3.865000 0.2310000       4.222000      0.2225000     -0.3564000      0.3208000
  1 1 1       4    8   15 o    9.884000      0.2408000       10.28000 0.3527000       9.483000      0.3279000      0.8020000      0.4816000
  1 1 1       4    8   16 o    3.637000      0.3130000       3.752000 0.4623000       3.523000      0.4219000      0.2288000      0.6259000
  1 1 1       4    8   17 o    2.422000      0.4569000       2.584000 0.6816000       2.260000      0.6087000      0.3247000      0.9138000
  1 1 1       4    8   18 f    6.895000      0.1656000       6.834000 0.2357000       6.957000      0.2327000     -0.1237000      0.3312000
  1 1 1       4    8   19 o    6.287000      0.1744000       6.380000 0.2465000       6.193000      0.2469000      0.1873000      0.3489000
  1 1 1       4    8   20 o    4.406000      0.2220000       4.005000 0.3348000       4.806000      0.2915000     -0.8008000      0.4439000
  1 1 1       4    8   21 o    6.596000      0.1919000       6.584000 0.2749000       6.608000      0.2679000     -0.2335000E-01  0.3838000
  1 1 1       4    8   22 f    4.134000      0.2455000       3.720000 0.3720000       4.547000      0.3206000     -0.8269000      0.4910000
  1 1 1       4    8   23 o    6.621000      0.2010000       6.377000 0.2873000       6.866000      0.2811000     -0.4887000      0.4020000
  1 1 1       4    8   24 o    5.997000      0.2116000       5.981000 0.2744000       6.014000      0.3221000     -0.3298000E-01  0.4232000
  1 1 1       4    8   25 o    17.33000      0.2620000       17.14000 0.3631000       17.51000      0.3778000     -0.3696000      0.5240000
  1 1 1       4    8   26 o    4.475000      0.2785000       4.818000 0.3385000       4.132000      0.4425000      0.6867000      0.5571000
  1 1 1       4    8   27 o    7.984000      0.2090000       7.552000 0.2851000       8.415000      0.3057000     -0.8630000      0.4180000
  1 1 1       4    8   28 o    5.715000      0.2517000       5.515000 0.3328000       5.914000      0.3778000     -0.3988000      0.5034000
  1 1 1       4    8   29 o    4.136000      0.3305000       4.062000 0.4331000       4.211000      0.4994000     -0.1497000      0.6611000
  1 1 1       4    8   30 o    9.998000      0.2300000       9.858000 0.3107000       10.14000      0.3392000     -0.2793000      0.4600000
  1 1 1       4    8   31 o    4.138000      0.3894000       4.041000 0.5112000       4.235000      0.5876000     -0.1931000      0.7789000
  1 1 1       4    8   32 o    7.053000      0.3876000       6.532000 0.5256000       7.575000      0.5697000      -1.043000      0.7751000
  1 1 1       4    8   33 o    1.915000      0.5508000       1.873000 0.7541000       1.958000      0.8030000     -0.8466000E-01   1.102000
  1 1 1       4    8   34 o    3.833000      0.4788000       3.387000 0.6992000       4.279000      0.6544000     -0.8923000      0.9577000
  1 1 1       4    8   35 o    1.870000      0.5935000       1.951000 0.8663000       1.788000      0.8114000      0.1625000       1.187000
  1 1 1       4    8   36 o    1.826000      0.5886000       1.940000 0.8698000       1.712000      0.7933000      0.2276000       1.177000
  1 1 1       4    8   37 o    2.139000      0.5546000       2.361000 0.8021000       1.917000      0.7660000      0.4438000       1.109000
  1 1 1       4    9    0 o    11.15000      0.2322000       11.07000 0.3239000       11.23000      0.3327000     -0.1567000      0.4643000
  1 1 1       4    9    1 o    10.31000      0.2153000       10.07000 0.2989000       10.55000      0.3099000     -0.4800000      0.4305000
  1 1 1       4    9    2 o    10.14000      0.2114000       10.18000 0.3016000       10.10000      0.2963000      0.8369000E-01  0.4228000
  1 1 1       4    9    3 o    10.18000      0.2230000       9.608000 0.3145000       10.75000      0.3162000      -1.139000      0.4460000
  1 1 1       4    9    4 o    19.04000      0.3842000       19.72000 0.5759000       18.37000      0.5087000       1.350000      0.7684000
  1 1 1       4    9    5 o    20.20000      0.4226000       19.35000 0.6124000       21.06000      0.5826000      -1.706000      0.8452000
  1 1 1       4    9    6 o    30.09000      0.6235000       29.90000 0.9305000       30.28000      0.8301000     -0.3868000       1.247000
  1 1 1       4    9    7 o    5.795000      0.7626000       5.470000 1.436000       6.120000      0.5154000     -0.6500000       1.525000
  1 1 1       4    9    8 o    10.33000      0.4398000       10.97000 0.7704000       9.686000      0.4245000       1.287000      0.8796000
  1 1 1       4    9    9 o    15.38000      0.3107000       15.10000 0.4288000       15.65000      0.4496000     -0.5489000      0.6213000
  1 1 1       4    9   10 o    15.05000      0.2200000       14.98000 0.3149000       15.13000      0.3074000     -0.1512000      0.4400000
  1 1 1       4    9   11 o    7.520000      0.1469000       7.658000 0.2142000       7.383000      0.2012000      0.2752000      0.2939000
  1 1 1       4    9   12 o    10.15000      0.2283000       9.920000 0.3190000       10.37000      0.3268000     -0.4531000      0.4567000
  1 1 1       4    9   13 o    7.526000      0.2065000       7.534000 0.2920000       7.518000      0.2920000      0.1594000E-01  0.4130000
  1 1 1       4    9   14 o    4.506000      0.2507000       4.349000 0.3730000       4.663000      0.3349000     -0.3148000      0.5013000
  1 1 1       4    9   15 o    8.763000      0.1576000       8.768000 0.2239000       8.759000      0.2218000      0.8746000E-02  0.3152000
  1 1 1       4    9   16 o    3.898000      0.1903000       3.730000 0.2843000       4.066000      0.2530000     -0.3364000      0.3806000
  1 1 1       4    9   17 o    3.691000      0.2102000       3.992000 0.2810000       3.390000      0.3128000      0.6017000      0.4205000
  1 1 1       4    9   18 o    4.793000      0.1877000       4.796000 0.2653000       4.791000      0.2657000      0.5456000E-02  0.3755000
  1 1 1       4    9   19 o    2.729000      0.3016000       2.574000 0.4613000       2.884000      0.3887000     -0.3092000      0.6032000
  1 1 1       4    9   20 o    2.708000      0.3315000       2.725000 0.4572000       2.691000      0.4801000      0.3384000E-01  0.6630000
  1 1 1       4    9   21 o    8.436000      0.1841000       8.409000 0.2621000       8.463000      0.2586000     -0.5355000E-01  0.3682000
  1 1 1       4    9   22 o    7.834000      0.2126000       7.491000 0.3315000       8.176000      0.2661000     -0.6846000      0.4251000
  1 1 1       4    9   23 o    4.523000      0.2425000       4.187000 0.3405000       4.859000      0.3454000     -0.6719000      0.4850000
  1 1 1       4    9   24 o    14.30000      0.2320000       14.22000 0.3282000       14.39000      0.3281000     -0.1712000      0.4641000
  1 1 1       4    9   25 o    10.73000      0.2098000       10.57000 0.2942000       10.88000      0.2991000     -0.3135000      0.4195000
  1 1 1       4    9   26 f    4.941000      0.2920000       4.823000 0.4372000       5.059000      0.3873000     -0.2358000      0.5841000
  1 1 1       4    9   27 o    9.700000      0.2136000       9.543000 0.2907000       9.857000      0.3131000     -0.3137000      0.4272000
  1 1 1       4    9   28 o    2.732000      0.4575000       2.425000 0.6548000       3.038000      0.6391000     -0.6129000      0.9150000
  1 1 1       4    9   29 o    3.238000      0.4262000       2.625000 0.6377000       3.851000      0.5655000      -1.226000      0.8524000
  1 1 1       4    9   30 o    7.984000      0.3247000       8.308000 0.4194000       7.661000      0.4958000      0.6475000      0.6494000
  1 1 1       4    9   31 o    2.716000      0.6221000       3.087000 0.8192000       2.344000      0.9363000      0.7423000       1.244000
  1 1 1       4    9   32 o    8.093000      0.2598000       7.854000 0.3606000       8.333000      0.3741000     -0.4787000      0.5196000
  1 1 1       4    9   33 o    3.702000      0.4675000       3.687000 0.6033000       3.718000      0.7144000     -0.3137000E-01  0.9351000
  1 1 1       4    9   34 o    1.892000      0.5969000       1.697000 0.7946000       2.088000      0.8910000     -0.3911000       1.194000
  1 1 1       4    9   35 o    2.791000      0.5501000       3.354000 0.6996000       2.227000      0.8490000       1.126000       1.100000
  1 1 1       4    9   36 o    1.647000      0.5131000       1.552000 0.6930000       1.742000      0.7569000     -0.1896000       1.026000
  1 1 1       4    9   37 o    1.679000      0.5102000       2.027000 0.8001000       1.331000      0.6332000      0.6960000       1.020000
  1 1 1       4   10    0 o    6.552000      0.1219000       6.574000 0.1688000       6.529000      0.1759000      0.4491000E-01  0.2437000
  1 1 1       4   10    1 o    14.10000      0.2004000       14.14000 0.2820000       14.06000      0.2847000      0.8659000E-01  0.4007000
  1 1 1       4   10    2 o    16.37000      0.2880000       16.69000 0.3301000       16.04000      0.4722000      0.6543000      0.5761000
  1 1 1       4   10    3 o    11.81000      0.1944000       12.24000 0.2656000       11.38000      0.2841000      0.8577000      0.3889000
  1 1 1       4   10    4 o    10.76000      0.2260000       10.69000 0.3127000       10.83000      0.3265000     -0.1395000      0.4521000
  1 1 1       4   10    5 o    28.52000      0.4926000       27.59000 0.7714000       29.45000      0.6129000      -1.863000      0.9852000
  1 1 1       4   10    6 o    8.609000      0.2874000       8.809000 0.3978000       8.409000      0.4148000      0.3998000      0.5747000
  1 1 1       4   10    7 f    15.82000      0.2793000       16.08000 0.4135000       15.57000      0.3755000      0.5063000      0.5585000
  1 1 1       4   10    8 o    18.13000      0.3686000       18.95000 0.5307000       17.32000      0.5118000       1.626000      0.7372000
  1 1 1       4   10    9 o    24.43000      0.4735000       24.31000 0.6635000       24.56000      0.6756000     -0.2452000      0.9469000
  1 1 1       4   10   10 o    6.397000      0.1902000       6.421000 0.2615000       6.373000      0.2764000      0.4830000E-01  0.3805000
  1 1 1       4   10   11 o    9.270000      0.2167000       9.519000 0.3093000       9.021000      0.3036000      0.4982000      0.4333000
  1 1 1       4   10   12 o    13.66000      0.2038000       13.71000 0.2920000       13.62000      0.2843000      0.9607000E-01  0.4075000
  1 1 1       4   10   13 o    10.59000      0.1732000       10.85000 0.2522000       10.33000      0.2376000      0.5212000      0.3465000
  1 1 1       4   10   14 o    4.493000      0.1689000       4.505000 0.2456000       4.481000      0.2319000      0.2351000E-01  0.3378000
  1 1 1       4   10   15 o    3.652000      0.2092000       3.482000 0.3155000       3.822000      0.2749000     -0.3407000      0.4184000
  1 1 1       4   10   16 o    4.553000      0.1781000       4.525000 0.2572000       4.582000      0.2464000     -0.5695000E-01  0.3561000
  1 1 1       4   10   17 o    3.193000      0.2391000       3.354000 0.3296000       3.032000      0.3464000      0.3219000      0.4781000
  1 1 1       4   10   18 o    7.936000      0.1657000       8.064000 0.2367000       7.809000      0.2319000      0.2552000      0.3314000
  1 1 1       4   10   19 o    3.740000      0.2356000       3.618000 0.3283000       3.862000      0.3379000     -0.2444000      0.4711000
  1 1 1       4   10   20 o    5.953000      0.1885000       5.886000 0.2670000       6.020000      0.2661000     -0.1333000      0.3770000
  1 1 1       4   10   21 o    4.613000      0.2184000       4.548000 0.3139000       4.677000      0.3037000     -0.1287000      0.4367000
  1 1 1       4   10   22 o    15.89000      0.2433000       15.62000 0.3423000       16.15000      0.3458000     -0.5267000      0.4866000
  1 1 1       4   10   23 o    10.61000      0.2005000       10.62000 0.2848000       10.60000      0.2823000      0.2283000E-01  0.4010000
  1 1 1       4   10   24 f    11.43000      0.2097000       11.37000 0.2965000       11.50000      0.2966000     -0.1323000      0.4193000
  1 1 1       4   10   25 o    12.33000      0.2202000       12.13000 0.3131000       12.54000      0.3095000     -0.4183000      0.4403000
  1 1 1       4   10   26 o    7.686000      0.2164000       7.755000 0.3010000       7.617000      0.3110000      0.1377000      0.4328000
  1 1 1       4   10   27 o    2.666000      0.4461000       3.154000 0.5525000       2.177000      0.7005000      0.9764000      0.8921000
  1 1 1       4   10   28 o    3.786000      0.3526000       3.435000 0.4975000       4.137000      0.4997000     -0.7020000      0.7051000
  1 1 1       4   10   29 o    2.014000      0.5211000       2.539000 0.7734000       1.488000      0.6987000       1.051000       1.042000
  1 1 1       4   10   30 o    4.489000      0.4713000       4.408000 0.6194000       4.571000      0.7106000     -0.1631000      0.9427000
  1 1 1       4   10   31 o    5.799000      0.2986000       5.760000 0.3959000       5.838000      0.4472000     -0.7775000E-01  0.5973000
  1 1 1       4   10   32 o    6.092000      0.3664000       5.795000 0.6085000       6.389000      0.4082000     -0.5938000      0.7327000
  1 1 1       4   10   33 o    5.021000      0.5332000       5.322000 0.6870000       4.721000      0.8156000      0.6003000       1.066000
  1 1 1       4   10   34 o    4.872000      0.3719000       4.970000 0.4799000       4.775000      0.5682000      0.1954000      0.7437000
  1 1 1       4   10   35 o    2.170000      0.5677000       2.219000 0.7899000       2.120000      0.8155000      0.9885000E-01   1.135000
  1 1 1       4   10   36 o    2.596000      0.5837000       2.509000 0.7865000       2.683000      0.8626000     -0.1748000       1.167000
  1 1 1       4   11    0 o    3.332000      0.2508000       3.792000 0.2838000       2.873000      0.4136000      0.9194000      0.5016000
  1 1 1       4   11    1 o    9.480000      0.2265000       9.184000 0.2957000       9.777000      0.3431000     -0.5928000      0.4530000
  1 1 1       4   11    3 o    12.98000      0.3509000       13.59000 0.4170000       12.36000      0.5644000       1.223000      0.7018000
  1 1 1       4   11    4 o    10.11000      0.6772000       10.14000 0.4503000       10.08000       1.277000      0.6068000E-01   1.354000
  1 1 1       4   11    5 o    12.09000       1.068000                  ?       ?   12.09000       1.068000                  ?              ?
  1 1 1       4   11    6 o    8.841000      0.5636000       8.968000 0.4446000       8.714000       1.036000      0.2548000       1.127000
  1 1 1       4   11    7 o    9.777000      0.3076000       9.728000 0.3591000       9.826000      0.4994000     -0.9816000E-01  0.6151000
  1 1 1       4   11    8 o    13.87000      0.2604000       14.03000 0.3920000       13.71000      0.3430000      0.3187000      0.5208000
  1 1 1       4   11    9 o    12.55000      0.2250000       12.80000 0.3387000       12.30000      0.2962000      0.4997000      0.4500000
  1 1 1       4   11   10 o    13.09000      0.2551000       12.85000 0.3159000       13.34000      0.4008000     -0.4889000      0.5103000
  1 1 1       4   11   11 o    12.80000      0.2076000       12.66000 0.3011000       12.93000      0.2860000     -0.2642000      0.4153000
  1 1 1       4   11   12 o    6.399000      0.1617000       6.354000 0.2376000       6.443000      0.2194000     -0.8908000E-01  0.3234000
  1 1 1       4   11   13 o    2.925000      0.3909000       2.925000 0.3909000                  ?              ?              ?              ?
  1 1 1       4   11   14 o    2.595000      0.2916000       2.388000 0.4658000       2.801000      0.3508000     -0.4128000      0.5831000
  1 1 1       4   11   15 o    11.91000      0.2626000                  ?       ?   11.91000      0.2626000                  ?              ?
  1 1 1       4   11   16 o    5.563000      0.1746000       5.773000 0.2532000       5.354000      0.2405000      0.4182000      0.3492000
  1 1 1       4   11   17 o    6.984000      0.1664000       7.064000 0.2418000       6.904000      0.2287000      0.1594000      0.3328000
  1 1 1       4   11   18 o    5.784000      0.1762000       5.893000 0.2504000       5.675000      0.2481000      0.2181000      0.3525000
  1 1 1       4   11   19 o    2.817000      0.3066000       2.980000 0.4013000       2.654000      0.4636000      0.3260000      0.6131000
  1 1 1       4   11   20 o    2.936000      0.3146000       2.946000 0.4381000       2.927000      0.4515000      0.1871000E-01  0.6291000
  1 1 1       4   11   21 o    2.074000      0.4092000       1.972000 0.5970000       2.177000      0.5599000     -0.2056000      0.8184000
  1 1 1       4   11   22 o    8.880000      0.1917000       8.917000 0.2730000       8.843000      0.2693000      0.7323000E-01  0.3835000
  1 1 1       4   11   23 o    8.248000      0.1970000       8.135000 0.2781000       8.360000      0.2792000     -0.2249000      0.3941000
  1 1 1       4   11   24 o    6.673000      0.2133000       6.508000 0.3061000       6.838000      0.2972000     -0.3303000      0.4266000
  1 1 1       4   11   25 o    15.74000      0.2502000       15.81000 0.3572000       15.68000      0.3503000      0.1299000      0.5003000
  1 1 1       4   11   26 o    3.077000      0.4185000       3.600000 0.5026000       2.554000      0.6693000       1.046000      0.8370000
  1 1 1       4   11   27 f    2.437000      0.5560000       2.169000 0.7228000       2.704000      0.8450000     -0.5356000       1.112000
  1 1 1       4   11   28 o    5.007000      0.3680000       4.744000 0.5116000       5.271000      0.5291000     -0.5264000      0.7360000
  1 1 1       4   11   29 o    4.749000      0.3357000       4.322000 0.5196000       5.176000      0.4252000     -0.8547000      0.6714000
  1 1 1       4   11   30 o    4.658000      0.3221000       4.413000 0.4518000       4.904000      0.4593000     -0.4908000      0.6443000
  1 1 1       4   11   31 o    3.648000      0.6330000       4.201000 0.7921000       3.094000      0.9877000       1.107000       1.266000
  1 1 1       4   11   32 o    3.477000      0.6164000       2.342000 0.9133000       4.612000      0.8282000      -2.270000       1.233000
  1 1 1       4   11   33 o    3.446000      0.5004000       3.272000 0.6748000       3.620000      0.7390000     -0.3489000       1.001000
  1 1 1       4   11   34 o    6.808000      0.2953000       7.083000 0.3833000       6.534000      0.4492000      0.5492000      0.5905000
  1 1 1       4   11   35 o    3.914000      0.4885000       4.523000 0.5405000       3.305000      0.8140000       1.218000      0.9771000
  1 1 1       4   11   36 o    2.026000      0.5568000       1.622000 0.7115000       2.430000      0.8566000     -0.8074000       1.114000
  1 1 1       4   12    0 o    21.50000      0.3579000       21.93000 0.4253000       21.06000      0.5758000      0.8751000      0.7159000
  1 1 1       4   12    1 o    5.828000      0.1455000       6.007000 0.1926000       5.650000      0.2182000      0.3570000      0.2910000
  1 1 1       4   12    2 o    17.12000      0.2555000       17.33000 0.3542000       16.91000      0.3683000      0.4207000      0.5110000
  1 1 1       4   12    3 o    19.82000      0.2997000       19.75000 0.4019000       19.90000      0.4448000     -0.1537000      0.5994000
  1 1 1       4   12    4 o    12.29000      0.2656000       12.24000 0.3697000       12.33000      0.3815000     -0.8737000E-01  0.5312000
  1 1 1       4   12    5 o    6.845000      0.3264000       6.319000 0.5259000       7.371000      0.3867000      -1.053000      0.6527000
  1 1 1       4   12    6 o    10.54000      0.3135000       10.50000 0.4339000       10.59000      0.4527000     -0.8780000E-01  0.6271000
  1 1 1       4   12    7 o    10.63000      0.2584000       10.69000 0.3606000       10.58000      0.3701000      0.1157000      0.5168000
  1 1 1       4   12    8 o    9.151000      0.2562000       9.677000 0.3470000       8.625000      0.3770000       1.051000      0.5124000
  1 1 1       4   12    9 o    16.22000      0.2714000       16.20000 0.4064000       16.23000      0.3599000     -0.3085000E-01  0.5428000
  1 1 1       4   12   10 o    9.365000      0.2029000       9.595000 0.2956000       9.135000      0.2779000      0.4595000      0.4057000
  1 1 1       4   12   11 o    5.135000      0.1935000       5.209000 0.2788000       5.062000      0.2685000      0.1472000      0.3871000
  1 1 1       4   12   12 o    13.73000      0.2171000       13.62000 0.3127000       13.83000      0.3012000     -0.2079000      0.4342000
  1 1 1       4   12   13 f    4.318000      0.2913000       4.318000 0.2913000                  ?              ?              ?              ?
  1 1 1       4   12   14 o    7.956000      0.1719000       8.180000 0.2529000       7.733000      0.2329000      0.4476000      0.3438000
  1 1 1       4   12   15 o    5.079000      0.2547000                  ?       ?   5.079000      0.2547000                  ?              ?
  1 1 1       4   12   16 o    5.291000      0.1810000       5.451000 0.2602000       5.131000      0.2517000      0.3192000      0.3620000
  1 1 1       4   12   17 o    6.599000      0.1737000       6.817000 0.2519000       6.380000      0.2393000      0.4378000      0.3474000
  1 1 1       4   12   18 o    3.972000      0.2312000       3.823000 0.3473000       4.121000      0.3053000     -0.2980000      0.4625000
  1 1 1       4   12   19 o    6.017000      0.1904000       5.777000 0.2717000       6.258000      0.2668000     -0.4806000      0.3808000
  1 1 1       4   12   20 o    4.055000      0.2400000       4.117000 0.3351000       3.993000      0.3437000      0.1247000      0.4801000
  1 1 1       4   12   21 o    13.77000      0.2211000       13.79000 0.3159000       13.75000      0.3094000      0.3358000E-01  0.4421000
  1 1 1       4   12   22 o    10.06000      0.1969000       10.08000 0.2796000       10.04000      0.2774000      0.4305000E-01  0.3938000
  1 1 1       4   12   23 o    12.07000      0.2130000       12.03000 0.3035000       12.11000      0.2991000     -0.7671000E-01  0.4261000
  1 1 1       4   12   24 o    11.59000      0.2154000       11.66000 0.3093000       11.52000      0.2998000      0.1384000      0.4307000
  1 1 1       4   12   25 o    6.038000      0.2729000       6.222000 0.3248000       5.854000      0.4387000      0.3682000      0.5458000
  1 1 1       4   12   26 o    12.63000      0.3021000       12.41000 0.4155000       12.84000      0.4387000     -0.4309000      0.6042000
  1 1 1       4   12   27 o    1.345000      0.4319000       1.345000 0.6054000       1.345000      0.6161000      0.1786000E-03  0.8638000
  1 1 1       4   12   28 o    6.720000      0.2585000       6.619000 0.3719000       6.821000      0.3591000     -0.2015000      0.5170000
  1 1 1       4   12   29 o    5.212000      0.5779000       5.388000 0.8983000       5.036000      0.7274000      0.3522000       1.156000
  1 1 1       4   12   30 o    3.314000      0.7599000       3.788000 1.162000       2.840000      0.9799000      0.9473000       1.520000
  1 1 1       4   12   31 o    3.691000      0.4742000       4.005000 0.5883000       3.377000      0.7438000      0.6276000      0.9483000
  1 1 1       4   12   32 f    5.016000      0.3430000       4.893000 0.4558000       5.139000      0.5126000     -0.2465000      0.6859000
  1 1 1       4   12   33 o    8.829000      0.2541000       9.076000 0.3321000       8.582000      0.3846000      0.4939000      0.5081000
  1 1 1       4   12   34 o    2.298000      0.5702000       2.546000 0.8111000       2.050000      0.8016000      0.4964000       1.140000
  1 1 1       4   12   35 o    2.772000      0.5816000       2.832000 0.7822000       2.712000      0.8610000      0.1205000       1.163000
  1 1 1       4   12   36 o    3.645000      0.5102000       4.202000 0.6000000       3.088000      0.8253000       1.114000       1.020000
  1 1 1       4   13    0 o    3.709000      0.1792000       3.544000 0.2557000       3.875000      0.2510000     -0.3309000      0.3583000
  1 1 1       4   13    1 o    17.30000      0.2521000       17.62000 0.3538000       16.99000      0.3591000      0.6298000      0.5042000
  1 1 1       4   13    2 o    7.895000      0.4502000       8.571000 0.3704000       7.219000      0.8207000       1.352000      0.9005000
  1 1 1       4   13    3 o    11.01000      0.2269000       10.69000 0.2996000       11.33000      0.3409000     -0.6450000      0.4538000
  1 1 1       4   13    4 o    23.37000      0.4580000       24.37000 0.7381000       22.38000      0.5424000       1.998000      0.9160000
  1 1 1       4   13    5 o    3.856000      0.5167000       4.122000 0.7742000       3.590000      0.6844000      0.5321000       1.033000
  1 1 1       4   13    6 o    8.078000      0.3763000       7.981000 0.5355000       8.176000      0.5288000     -0.1954000      0.7526000
  1 1 1       4   13    7 o    9.709000      0.2783000       9.537000 0.3832000       9.882000      0.4037000     -0.3457000      0.5566000
  1 1 1       4   13    8 o    6.306000      0.3246000       6.843000 0.3865000       5.769000      0.5218000       1.074000      0.6493000
  1 1 1       4   13    9 o    10.98000      0.2360000       11.07000 0.3468000       10.89000      0.3201000      0.1770000      0.4719000
  1 1 1       4   13   10 o    5.302000      0.2681000       5.774000 0.3260000       4.830000      0.4256000      0.9436000      0.5361000
  1 1 1       4   13   11 o    8.688000      0.1962000       8.784000 0.2911000       8.591000      0.2632000      0.1931000      0.3924000
  1 1 1       4   13   12 o    5.051000      0.2141000       5.158000 0.3038000       4.944000      0.3018000      0.2142000      0.4282000
  1 1 1       4   13   13 o    11.23000      0.1963000       11.28000 0.2818000       11.18000      0.2733000      0.1033000      0.3926000
  1 1 1       4   13   14 o    3.379000      0.2610000       3.714000 0.3555000       3.045000      0.3822000      0.6692000      0.5220000
  1 1 1       4   13   15 o    2.008000      0.4107000       1.930000 0.6151000       2.085000      0.5445000     -0.1556000      0.8215000
  1 1 1       4   13   16 o    1.695000      0.4113000       1.853000 0.6100000       1.537000      0.5520000      0.3160000      0.8226000
  1 1 1       4   13   17 o    3.216000      0.2850000       3.275000 0.4071000       3.158000      0.3990000      0.1171000      0.5700000
  1 1 1       4   13   18 o    6.297000      0.1914000       6.454000 0.2761000       6.140000      0.2651000      0.3147000      0.3827000
  1 1 1       4   13   19 o    1.436000      0.4107000       1.431000 0.5852000       1.442000      0.5764000     -0.1087000E-01  0.8214000
  1 1 1       4   13   20 o    3.934000      0.2665000       4.061000 0.3747000       3.807000      0.3791000      0.2540000      0.5330000
  1 1 1       4   13   21 o    5.790000      0.2129000       5.867000 0.3010000       5.713000      0.3011000      0.1534000      0.4258000
  1 1 1       4   13   22 o    3.671000      0.2967000       3.625000 0.4228000       3.717000      0.4163000     -0.9224000E-01  0.5933000
  1 1 1       4   13   23 o    4.287000      0.3498000       4.526000 0.4394000       4.048000      0.5443000      0.4785000      0.6996000
  1 1 1       4   13   24 o    9.678000      0.2719000       9.343000 0.3744000       10.01000      0.3945000     -0.6693000      0.5438000
  1 1 1       4   13   25 o    5.947000      0.2440000       5.573000 0.3595000       6.322000      0.3300000     -0.7488000      0.4880000
  1 1 1       4   13   26 o    3.410000      0.4131000       2.748000 0.6682000       4.072000      0.4858000      -1.324000      0.8261000
  1 1 1       4   13   27 o    7.519000      0.3455000       7.750000 0.6072000       7.288000      0.3297000      0.4615000      0.6910000
  1 1 1       4   13   28 o    4.534000      0.5887000       4.353000 0.9864000       4.715000      0.6429000     -0.3614000       1.177000
  1 1 1       4   13   29 o    10.99000      0.2360000       11.08000 0.3410000       10.91000      0.3262000      0.1664000      0.4719000
  1 1 1       4   13   30 o    5.615000      0.3220000       5.674000 0.4390000       5.555000      0.4712000      0.1181000      0.6441000
  1 1 1       4   13   31 o    2.339000      0.5745000       2.195000 0.8058000       2.483000      0.8190000     -0.2873000       1.149000
  1 1 1       4   13   32 o    5.580000      0.3531000       5.720000 0.4941000       5.440000      0.5045000      0.2807000      0.7062000
  1 1 1       4   13   33 o    5.202000      0.4066000       5.289000 0.6026000       5.114000      0.5459000      0.1749000      0.8131000
  1 1 1       4   13   34 o    4.428000      0.4403000       4.949000 0.4894000       3.906000      0.7321000       1.043000      0.8806000
  1 1 1       4   13   35 o    1.878000      0.5521000       1.607000 0.7106000       2.149000      0.8452000     -0.5418000       1.104000
  1 1 1       4   14    0 o    13.95000      0.2096000       13.66000 0.2861000       14.24000      0.3064000     -0.5784000      0.4192000
  1 1 1       4   14    1 o    6.966000      0.1809000       6.759000 0.2454000       7.174000      0.2658000     -0.4153000      0.3617000
  1 1 1       4   14    2 o    7.914000      0.1972000       7.706000 0.2661000       8.122000      0.2911000     -0.4166000      0.3943000
  1 1 1       4   14    3 o    19.40000      0.3184000       19.49000 0.4221000       19.31000      0.4768000      0.1876000      0.6367000
  1 1 1       4   14    4 f    12.15000      0.2920000       11.80000 0.4065000       12.51000      0.4192000     -0.7067000      0.5839000
  1 1 1       4   14    5 o    6.593000      0.3566000       6.880000 0.5526000       6.306000      0.4509000      0.5739000      0.7133000
  1 1 1       4   14    6 f    10.19000      0.3625000       10.54000 0.5050000       9.834000      0.5202000      0.7103000      0.7250000
  1 1 1       4   14    7 o    12.77000      0.2921000       13.13000 0.4205000       12.41000      0.4056000      0.7147000      0.5843000
  1 1 1       4   14    8 o    2.577000      0.6009000       3.030000 0.7733000       2.124000      0.9200000      0.9062000       1.202000
  1 1 1       4   14    9 o    9.728000      0.2485000       10.23000 0.3530000       9.225000      0.3499000       1.006000      0.4970000
  1 1 1       4   14   10 o    3.013000      0.4548000       3.227000 0.5698000       2.800000      0.7090000      0.4272000      0.9096000
  1 1 1       4   14   11 o    3.669000      0.3251000       3.994000 0.4203000       3.343000      0.4961000      0.6511000      0.6502000
  1 1 1       4   14   12 o    1.786000      0.4223000       2.073000 0.6118000       1.498000      0.5822000      0.5742000      0.8445000
  1 1 1       4   14   13 o    3.785000      0.2913000       4.077000 0.4034000       3.493000      0.4205000      0.5842000      0.5827000
  1 1 1       4   14   14 o    8.779000      0.1901000       8.678000 0.2825000       8.880000      0.2545000     -0.2022000      0.3802000
  1 1 1       4   14   15 o    4.571000      0.2310000       4.433000 0.3530000       4.709000      0.2982000     -0.2754000      0.4621000
  1 1 1       4   14   16 o    6.658000      0.1994000       6.663000 0.2927000       6.652000      0.2709000      0.1111000E-01  0.3988000
  1 1 1       4   14   17 o    2.245000      0.4169000       2.398000 0.5817000       2.092000      0.5974000      0.3058000      0.8338000
  1 1 1       4   14   18 o    7.003000      0.1910000       6.590000 0.2787000       7.415000      0.2613000     -0.8259000      0.3821000
  1 1 1       4   14   19 o    7.696000      0.1909000       7.979000 0.2731000       7.412000      0.2669000      0.5666000      0.3818000
  1 1 1       4   14   20 o    4.053000      0.2727000       4.297000 0.3769000       3.810000      0.3942000      0.4877000      0.5454000
  1 1 1       4   14   21 o    10.92000      0.2728000       10.68000 0.3816000       11.15000      0.3900000     -0.4624000      0.5457000
  1 1 1       4   14   22 o    6.884000      0.2637000       6.760000 0.3649000       7.007000      0.3808000     -0.2476000      0.5274000
  1 1 1       4   14   23 o    8.569000      0.2054000       8.590000 0.2961000       8.549000      0.2847000      0.4066000E-01  0.4108000
  1 1 1       4   14   24 o    3.732000      0.3311000       3.734000 0.4779000       3.731000      0.4585000      0.3347000E-02  0.6622000
  1 1 1       4   14   25 o    2.205000      0.5777000       2.568000 0.9615000       1.843000      0.6405000      0.7249000       1.155000
  1 1 1       4   14   26 o    6.353000      0.4276000       6.005000 0.6958000       6.700000      0.4973000     -0.6947000      0.8553000
  1 1 1       4   14   27 o    2.254000      0.5165000       2.620000 0.7386000       1.889000      0.7223000      0.7311000       1.033000
  1 1 1       4   14   28 o    1.960000      0.5106000       2.232000 0.7470000       1.688000      0.6963000      0.5448000       1.021000
  1 1 1       4   14   29 o    4.216000      0.3756000       4.321000 0.5214000       4.112000      0.5407000      0.2084000      0.7511000
  1 1 1       4   14   30 o    5.080000      0.3530000       4.973000 0.5000000       5.187000      0.4983000     -0.2146000      0.7059000
  1 1 1       4   14   31 o    2.353000      0.5827000       2.357000 0.8243000       2.349000      0.8238000      0.8527000E-02   1.165000
  1 1 1       4   14   32 o    5.605000      0.3515000       5.331000 0.5149000       5.880000      0.4787000     -0.5484000      0.7031000
  1 1 1       4   14   33 o    2.421000      0.5942000       2.569000 0.8511000       2.272000      0.8295000      0.2971000       1.188000
  1 1 1       4   14   34 o    3.928000      0.4903000       4.090000 0.6507000       3.767000      0.7335000      0.3235000      0.9805000
  1 1 1       4   14   35 o    2.115000      0.5729000       1.602000 0.7177000       2.629000      0.8932000      -1.027000       1.146000
  1 1 1       4   15    0 o    21.78000      0.3104000       22.18000 0.4367000       21.38000      0.4412000      0.7969000      0.6208000
  1 1 1       4   15    1 o    16.33000      0.3182000       15.98000 0.4958000       16.68000      0.3990000     -0.6956000      0.6364000
  1 1 1       4   15    2 o    3.613000      0.3554000       4.467000 0.4213000       2.759000      0.5725000       1.708000      0.7108000
  1 1 1       4   15    3 o    10.31000      0.2584000       9.919000 0.3646000       10.70000      0.3662000     -0.7800000      0.5167000
  1 1 1       4   15    4 o    9.986000      0.3083000       9.791000 0.4583000       10.18000      0.4124000     -0.3902000      0.6166000
  1 1 1       4   15    5 o    2.383000      0.6273000       3.203000 1.026000       1.564000      0.7224000       1.640000       1.255000
  1 1 1       4   15    6 o    3.040000      0.7570000       2.651000 1.059000       3.429000       1.082000     -0.7781000       1.514000
  1 1 1       4   15    7 o    6.210000      0.4092000       5.892000 0.5379000       6.529000      0.6169000     -0.6374000      0.8184000
  1 1 1       4   15    8 o    10.02000      0.3031000       10.01000 0.4051000       10.03000      0.4509000     -0.1905000E-01  0.6061000
  1 1 1       4   15    9 f    3.659000      0.5021000       4.308000 0.5204000       3.009000      0.8588000       1.299000       1.004000
  1 1 1       4   15   10 o    3.580000      0.4229000       3.528000 0.5719000       3.633000      0.6232000     -0.1049000      0.8458000
  1 1 1       4   15   11 o    5.839000      0.2639000       5.806000 0.3644000       5.873000      0.3817000     -0.6653000E-01  0.5277000
  1 1 1       4   15   12 o    2.087000      0.4363000       2.134000 0.6282000       2.040000      0.6058000      0.9379000E-01  0.8727000
  1 1 1       4   15   13 o    4.892000      0.2494000       5.025000 0.3522000       4.759000      0.3532000      0.2663000      0.4988000
  1 1 1       4   15   14 o    8.304000      0.2645000       8.473000 0.3108000       8.134000      0.4281000      0.3386000      0.5290000
  1 1 1       4   15   15 o    5.219000      0.3163000       5.571000 0.3219000       4.868000      0.5446000      0.7037000      0.6326000
  1 1 1       4   15   16 o    2.332000      0.4079000       2.408000 0.5562000       2.255000      0.5968000      0.1531000      0.8158000
  1 1 1       4   15   17 o    3.284000      0.3509000       3.099000 0.5641000       3.469000      0.4175000     -0.3698000      0.7018000
  1 1 1       4   15   18 o    7.314000      0.2875000       7.645000 0.4141000       6.984000      0.3988000      0.6602000      0.5749000
  1 1 1       4   15   19 o    2.409000      0.5264000       2.221000 0.7454000       2.596000      0.7434000     -0.3750000       1.053000
  1 1 1       4   15   20 o    2.434000      0.4897000       3.115000 0.6734000       1.754000      0.7113000       1.361000      0.9795000
  1 1 1       4   15   21 o    6.672000      0.2197000       6.961000 0.3199000       6.383000      0.3013000      0.5785000      0.4394000
  1 1 1       4   15   22 o    8.718000      0.2117000       8.719000 0.3077000       8.717000      0.2909000      0.2031000E-02  0.4235000
  1 1 1       4   15   23 o    6.014000      0.4263000       5.311000 0.6948000       6.716000      0.4941000      -1.405000      0.8526000
  1 1 1       4   15   24 o    3.037000      0.6089000       2.397000 0.9500000       3.676000      0.7620000      -1.279000       1.218000
  1 1 1       4   15   25 o    5.101000      0.2871000       5.215000 0.3988000       4.987000      0.4131000      0.2287000      0.5742000
  1 1 1       4   15   26 o    6.126000      0.2558000       6.078000 0.3660000       6.174000      0.3574000     -0.9563000E-01  0.5116000
  1 1 1       4   15   27 o    5.246000      0.3031000       5.005000 0.4406000       5.487000      0.4165000     -0.4815000      0.6063000
  1 1 1       4   15   28 o    3.284000      0.4851000       3.401000 0.6711000       3.167000      0.7007000      0.2337000      0.9702000
  1 1 1       4   15   29 o    5.036000      0.3521000       5.310000 0.4551000       4.762000      0.5373000      0.5484000      0.7041000
  1 1 1       4   15   30 o    2.417000      0.5764000       2.545000 0.8098000       2.289000      0.8204000      0.2562000       1.153000
  1 1 1       4   15   31 o    2.772000      0.5800000       2.624000 0.8132000       2.921000      0.8273000     -0.2972000       1.160000
  1 1 1       4   15   32 o    2.087000      0.5634000       1.708000 0.7485000       2.466000      0.8422000     -0.7577000       1.127000
  1 1 1       4   15   33 o    4.237000      0.4600000       4.709000 0.5984000       3.765000      0.6989000      0.9436000      0.9201000
  1 1 1       4   15   34 o    3.009000      0.5859000       3.182000 0.8035000       2.836000      0.8530000      0.3452000       1.172000
  1 1 1       4   15   35 o    1.939000      0.5627000       1.604000 0.7266000       2.273000      0.8595000     -0.6685000       1.125000
  1 1 1       4   16    0 o    10.77000      0.2003000       11.00000 0.2694000       10.55000      0.2966000      0.4526000      0.4007000
  1 1 1       4   16    1 o    2.182000      0.4257000       2.466000 0.5983000       1.897000      0.6057000      0.5696000      0.8513000
  1 1 1       4   16    2 f    1.941000      0.4734000       1.956000 0.7108000       1.926000      0.6255000      0.2982000E-01  0.9468000
  1 1 1       4   16    3 o    2.223000      0.5690000       2.440000 0.8792000       2.005000      0.7226000      0.4353000       1.138000
  1 1 1       4   16    4 o    6.811000      0.3801000       6.785000 0.6005000       6.837000      0.4663000     -0.5208000E-01  0.7603000
  1 1 1       4   16    5 f    6.387000      0.4258000       5.808000 0.6933000       6.967000      0.4947000      -1.159000      0.8517000
  1 1 1       4   16    6 o    6.355000      0.5258000       6.680000 0.7186000       6.030000      0.7677000      0.6504000       1.052000
  1 1 1       4   16    7 o    9.827000      0.3371000       9.891000 0.4503000       9.763000      0.5017000      0.1287000      0.6741000
  1 1 1       4   16    8 o    14.41000      0.3232000       15.10000 0.4756000       13.72000      0.4377000       1.380000      0.6464000
  1 1 1       4   16    9 o    1.995000      0.5770000       1.993000 0.7936000       1.996000      0.8379000     -0.3361000E-02   1.154000
  1 1 1       4   16   10 o    2.254000      0.5259000       2.641000 0.7312000       1.867000      0.7561000      0.7738000       1.052000
  1 1 1       4   16   11 o    2.904000      0.4833000       3.541000 0.5855000       2.267000      0.7692000       1.274000      0.9667000
  1 1 1       4   16   12 o    4.232000      0.3023000       4.115000 0.4401000       4.348000      0.4147000     -0.2326000      0.6046000
  1 1 1       4   16   13 o    4.670000      0.2688000       4.590000 0.4021000       4.750000      0.3569000     -0.1608000      0.5377000
  1 1 1       4   16   14 o    6.242000      0.3471000       6.242000 0.3471000                  ?              ?              ?              ?
  1 1 1       4   16   15 o    3.091000      0.7306000       3.393000 1.117000       2.789000      0.9417000      0.6036000       1.461000
  1 1 1       4   16   16 o    2.884000      0.8178000                  ?       ?   2.884000      0.8178000                  ?              ?
  1 1 1       4   16   17 o    5.389000      0.3841000       5.765000 0.5475000       5.012000      0.5389000      0.7535000      0.7682000
  1 1 1       4   16   18 o    1.600000      0.4546000       1.463000 0.6391000       1.737000      0.6468000     -0.2739000      0.9093000
  1 1 1       4   16   19 o    7.520000      0.2136000       7.584000 0.3167000       7.456000      0.2867000      0.1273000      0.4272000
  1 1 1       4   16   20 o    8.017000      0.2661000       8.595000 0.4546000       7.440000      0.2766000       1.155000      0.5321000
  1 1 1       4   16   21 o    4.298000      0.4668000       4.826000 0.6552000       3.769000      0.6650000       1.057000      0.9335000
  1 1 1       4   16   22 o    4.178000      0.5061000       5.028000 0.6838000       3.328000      0.7461000       1.700000       1.012000
  1 1 1       4   16   23 o    5.493000      0.2719000       5.427000 0.4030000       5.558000      0.3651000     -0.1319000      0.5438000
  1 1 1       4   16   24 o    5.785000      0.2690000       5.680000 0.3958000       5.891000      0.3643000     -0.2101000      0.5380000
  1 1 1       4   16   25 o    2.268000      0.5007000       1.841000 0.7248000       2.695000      0.6910000     -0.8542000       1.001000
  1 1 1       4   16   26 o    9.177000      0.2296000       8.981000 0.3269000       9.372000      0.3224000     -0.3914000      0.4592000
  1 1 1       4   16   27 o    3.514000      0.4524000       3.614000 0.6018000       3.415000      0.6756000      0.1992000      0.9047000
  1 1 1       4   16   28 o    3.704000      0.4338000       3.519000 0.6628000       3.888000      0.5600000     -0.3693000      0.8677000
  1 1 1       4   16   29 o    2.092000      0.5484000       2.313000 0.7867000       1.872000      0.7641000      0.4415000       1.097000
  1 1 1       4   16   30 o    4.650000      0.4021000       4.765000 0.5576000       4.534000      0.5794000      0.2311000      0.8041000
  1 1 1       4   16   31 o    2.125000      0.5627000       2.538000 0.8464000       1.712000      0.7418000      0.8262000       1.125000
  1 1 1       4   16   32 o    2.448000      0.5967000       2.145000 0.8521000       2.751000      0.8355000     -0.6063000       1.193000
  1 1 1       4   16   33 o    1.831000      0.5563000       1.890000 0.8034000       1.773000      0.7695000      0.1161000       1.113000
  1 1 1       4   16   34 o    2.814000      0.6114000       2.499000 0.8635000       3.128000      0.8659000     -0.6292000       1.223000
  1 1 1       4   17    0 o    5.404000      0.2144000       5.553000 0.2944000       5.256000      0.3117000      0.2977000      0.4287000
  1 1 1       4   17    1 o    6.508000      0.2373000       6.378000 0.3448000       6.638000      0.3261000     -0.2600000      0.4746000
  1 1 1       4   17    2 o    1.693000      0.4765000       2.098000 0.7561000       1.288000      0.5799000      0.8102000      0.9529000
  1 1 1       4   17    3 o    11.08000      0.3216000       11.54000 0.5054000       10.61000      0.3978000      0.9300000      0.6432000
  1 1 1       4   17    4 o    3.735000      0.7088000       3.178000 1.228000       4.292000      0.7075000      -1.114000       1.418000
  1 1 1       4   17    5 o    7.706000      0.3948000       7.369000 0.6270000       8.044000      0.4800000     -0.6752000      0.7897000
  1 1 1       4   17    6 o    6.294000      0.5785000       6.227000 0.8371000       6.361000      0.7986000     -0.1335000       1.157000
  1 1 1       4   17    7 o    6.076000      0.4809000       5.996000 0.6056000       6.156000      0.7473000     -0.1604000      0.9619000
  1 1 1       4   17    8 o    6.714000      0.4295000       6.928000 0.5102000       6.501000      0.6910000      0.4266000      0.8590000
  1 1 1       4   17    9 o    3.694000      0.5762000       4.831000 0.5830000       2.558000      0.9941000       2.273000       1.152000
  1 1 1       4   17   10 o    5.193000       1.162000       6.844000 1.908000       3.541000       1.327000       3.303000       2.325000
  1 1 1       4   17   12 o    3.743000       1.024000       4.261000 1.623000       3.226000       1.250000       1.035000       2.048000
  1 1 1       4   17   13 o    7.253000      0.6664000       6.396000 1.161000       8.109000      0.6535000      -1.714000       1.333000
  1 1 1       4   17   14 o    1.597000      0.6629000       1.597000 0.6629000                  ?              ?              ?              ?
  1 1 1       4   17   15 o    4.170000      0.3368000       3.607000 0.5615000       4.732000      0.3722000      -1.125000      0.6737000
  1 1 1       4   17   16 o    5.735000      0.3344000                  ?       ?   5.735000      0.3344000                  ?              ?
  1 1 1       4   17   17 o    10.12000      0.2829000       10.03000 0.4145000       10.21000      0.3853000     -0.1790000      0.5659000
  1 1 1       4   17   18 o    4.503000      0.3798000       4.726000 0.5417000       4.280000      0.5324000      0.4463000      0.7595000
  1 1 1       4   17   19 o    2.343000      0.5450000       2.994000 0.8189000       1.693000      0.7195000       1.301000       1.090000
  1 1 1       4   17   20 o    11.28000      0.2275000       11.31000 0.3329000       11.24000      0.3101000      0.6895000E-01  0.4550000
  1 1 1       4   17   21 o    4.480000      0.3192000       4.702000 0.4549000       4.259000      0.4479000      0.4426000      0.6384000
  1 1 1       4   17   22 o    3.890000      0.3491000       4.094000 0.5032000       3.686000      0.4840000      0.4072000      0.6982000
  1 1 1       4   17   23 o    5.794000      0.2684000       5.994000 0.3817000       5.593000      0.3775000      0.4008000      0.5368000
  1 1 1       4   17   24 o    6.738000      0.2512000       6.854000 0.3671000       6.622000      0.3429000      0.2324000      0.5024000
  1 1 1       4   17   25 o    6.916000      0.2626000       7.042000 0.3773000       6.790000      0.3654000      0.2512000      0.5253000
  1 1 1       4   17   26 o    3.185000      0.4968000       3.080000 0.7322000       3.290000      0.6718000     -0.2106000      0.9937000
  1 1 1       4   17   27 o    5.735000      0.3091000       5.359000 0.4502000       6.111000      0.4237000     -0.7522000      0.6182000
  1 1 1       4   17   28 o    1.775000      0.5100000       1.494000 0.6744000       2.056000      0.7654000     -0.5619000       1.020000
  1 1 1       4   17   29 o    3.011000      0.5571000       3.544000 0.7457000       2.477000      0.8279000       1.067000       1.114000
  1 1 1       4   17   30 o    1.967000      0.5655000       2.011000 0.8014000       1.923000      0.7980000      0.8817000E-01   1.131000
  1 1 1       4   17   31 o    3.589000      0.5386000       3.495000 0.8139000       3.683000      0.7057000     -0.1881000       1.077000
  1 1 1       4   17   32 o    3.760000      0.5435000       3.520000 0.8321000       4.000000      0.6994000     -0.4806000       1.087000
  1 1 1       4   17   33 o    2.158000      0.5850000       1.831000 0.7996000       2.485000      0.8542000     -0.6544000       1.170000
  1 1 1       4   17   34 o    2.378000      0.6669000       2.855000 1.042000       1.901000      0.8324000      0.9539000       1.334000
  1 1 1       4   18    0 o    3.950000      0.3115000       3.966000 0.4361000       3.933000      0.4450000      0.3264000E-01  0.6230000
  1 1 1       4   18    1 o    4.100000      0.3595000       3.951000 0.5729000       4.248000      0.4342000     -0.2960000      0.7189000
  1 1 1       4   18    2 o    4.444000      0.3470000       4.799000 0.5190000       4.089000      0.4607000      0.7103000      0.6940000
  1 1 1       4   18    3 o    11.84000      0.3456000       11.13000 0.5404000       12.56000      0.4309000      -1.436000      0.6912000
  1 1 1       4   18    4 o    4.791000      0.7405000       4.689000 1.306000       4.893000      0.6981000     -0.2048000       1.481000
  1 1 1       4   18    5 o    5.675000      0.6931000       6.132000 1.207000       5.219000      0.6826000      0.9134000       1.386000
  1 1 1       4   18    6 o    3.872000       1.724000       3.872000 1.724000                  ?              ?              ?              ?
  1 1 1       4   18    7 o    3.391000       1.067000       3.693000 1.702000       3.089000       1.287000      0.6043000       2.134000
  1 1 1       4   18    8 o    4.095000       1.129000       4.255000 1.813000       3.934000       1.345000      0.3209000       2.258000
  1 1 1       4   18    9 o    3.559000      0.6137000       4.193000 0.7114000       2.924000       1.000000       1.269000       1.227000
  1 1 1       4   18   10 o    2.524000      0.5306000       1.696000 0.7313000       3.352000      0.7691000      -1.655000       1.061000
  1 1 1       4   18   11 o    2.513000      0.5566000       2.607000 0.7561000       2.418000      0.8169000      0.1895000       1.113000
  1 1 1       4   18   12 o    2.162000      0.5196000       2.497000 0.7405000       1.827000      0.7292000      0.6700000       1.039000
  1 1 1       4   18   13 o    3.877000      0.3718000       3.757000 0.5082000       3.997000      0.5427000     -0.2396000      0.7435000
  1 1 1       4   18   14 o    6.395000      0.2944000       6.402000 0.4273000       6.387000      0.4052000      0.1498000E-01  0.5889000
  1 1 1       4   18   15 o    3.538000      0.4575000       3.023000 0.7382000       4.053000      0.5404000      -1.030000      0.9149000
  1 1 1       4   18   16 o    8.205000      0.2794000       7.911000 0.4139000       8.500000      0.3755000     -0.5893000      0.5588000
  1 1 1       4   18   17 o    1.862000      0.5044000       2.193000 0.7775000       1.532000      0.6429000      0.6613000       1.009000
  1 1 1       4   18   18 f    5.619000      0.2791000       5.967000 0.4205000       5.272000      0.3672000      0.6944000      0.5583000
  1 1 1       4   18   19 o    1.943000      0.5170000       1.996000 0.7611000       1.890000      0.6998000      0.1062000       1.034000
  1 1 1       4   18   20 o    9.862000      0.2314000       9.694000 0.3444000       10.03000      0.3093000     -0.3362000      0.4629000
  1 1 1       4   18   21 o    8.560000      0.2407000       8.470000 0.3667000       8.651000      0.3119000     -0.1808000      0.4814000
  1 1 1       4   18   22 o    3.846000      0.4153000       3.830000 0.6469000       3.861000      0.5209000     -0.3074000E-01  0.8306000
  1 1 1       4   18   23 o    2.352000      0.5228000       2.532000 0.7588000       2.171000      0.7195000      0.3605000       1.046000
  1 1 1       4   18   24 o    5.510000      0.2965000       5.444000 0.4495000       5.575000      0.3869000     -0.1306000      0.5930000
  1 1 1       4   18   25 o    8.431000      0.2484000       8.320000 0.3693000       8.543000      0.3324000     -0.2230000      0.4969000
  1 1 1       4   18   26 f    7.521000      0.2709000       7.312000 0.4106000       7.731000      0.3534000     -0.4184000      0.5418000
  1 1 1       4   18   27 o    8.228000      0.2680000       7.925000 0.3933000       8.532000      0.3642000     -0.6072000      0.5360000
  1 1 1       4   18   28 o    4.723000      0.4097000       4.803000 0.5904000       4.643000      0.5680000      0.1605000      0.8193000
  1 1 1       4   18   29 o    6.427000      0.3184000       6.888000 0.4339000       5.966000      0.4661000      0.9215000      0.6368000
  1 1 1       4   18   30 o    2.432000      0.6028000       2.645000 0.8687000       2.219000      0.8358000      0.4266000       1.206000
  1 1 1       4   18   31 o    5.227000      0.3833000       5.554000 0.5404000       4.899000      0.5436000      0.6556000      0.7665000
  1 1 1       4   18   32 o    4.022000      0.5108000       4.115000 0.7112000       3.930000      0.7334000      0.1847000       1.022000
  1 1 1       4   18   33 o    2.962000      0.6056000       3.376000 0.8645000       2.548000      0.8483000      0.8276000       1.211000
  1 1 1       4   19    0 o    6.887000      0.2244000       6.733000 0.3100000       7.041000      0.3244000     -0.3085000      0.4487000
  1 1 1       4   19    1 o    9.182000      0.2517000       9.026000 0.3544000       9.338000      0.3575000     -0.3126000      0.5034000
  1 1 1       4   19    2 o    4.342000      0.3666000       3.644000 0.6158000       5.041000      0.3978000      -1.397000      0.7331000
  1 1 1       4   19    3 o    2.129000      0.6144000       2.142000 0.9132000       2.116000      0.8222000      0.2547000E-01   1.229000
  1 1 1       4   19    4 o    2.302000      0.6848000       2.928000 1.124000       1.677000      0.7831000       1.251000       1.370000
  1 1 1       4   19    5 o    2.197000      0.6853000       2.527000 1.077000       1.867000      0.8477000      0.6597000       1.371000
  1 1 1       4   19    6 o    5.312000      0.6722000       5.393000 0.9170000       5.230000      0.9831000      0.1630000       1.344000
  1 1 1       4   19    7 o    2.884000      0.7178000       2.765000 0.9291000       3.003000       1.094000     -0.2386000       1.436000
  1 1 1       4   19    8 o    3.861000      0.7931000       2.968000 1.003000       4.754000       1.229000      -1.786000       1.586000
  1 1 1       4   19    9 o    5.693000      0.5471000       6.062000 0.5851000       5.324000      0.9245000      0.7376000       1.094000
  1 1 1       4   19   10 o    2.357000      0.5839000       2.163000 0.7784000       2.550000      0.8704000     -0.3875000       1.168000
  1 1 1       4   19   11 o    4.157000      0.4455000       4.150000 0.6030000       4.164000      0.6558000     -0.1420000E-01  0.8909000
  1 1 1       4   19   12 o    6.220000      0.3290000       5.894000 0.4701000       6.546000      0.4605000     -0.6519000      0.6581000
  1 1 1       4   19   13 o    4.466000      0.3660000       4.219000 0.5303000       4.712000      0.5047000     -0.4927000      0.7321000
  1 1 1       4   19   14 o    7.133000      0.2703000       6.676000 0.4077000       7.590000      0.3550000     -0.9132000      0.5406000
  1 1 1       4   19   15 o    8.729000      0.2832000       8.973000 0.3935000       8.484000      0.4074000      0.4885000      0.5664000
  1 1 1       4   19   16 o    4.073000      0.3982000       4.380000 0.5736000       3.767000      0.5524000      0.6135000      0.7963000
  1 1 1       4   19   17 o    1.595000      0.4943000       1.726000 0.7425000       1.465000      0.6528000      0.2612000      0.9886000
  1 1 1       4   19   18 o    5.137000      0.3293000       5.057000 0.5141000       5.217000      0.4118000     -0.1604000      0.6587000
  1 1 1       4   19   19 o    2.134000      0.5343000       2.202000 0.7933000       2.066000      0.7160000      0.1353000       1.069000
  1 1 1       4   19   20 o    2.795000      0.5387000       2.771000 0.8252000       2.819000      0.6927000     -0.4807000E-01   1.077000
  1 1 1       4   19   21 o    4.047000      0.4137000       4.310000 0.6159000       3.784000      0.5526000      0.5262000      0.8275000
  1 1 1       4   19   22 o    5.079000      0.3574000       4.802000 0.5732000       5.356000      0.4272000     -0.5539000      0.7149000
  1 1 1       4   19   23 f    5.854000      0.3200000       5.645000 0.5040000       6.063000      0.3944000     -0.4175000      0.6400000
  1 1 1       4   19   24 o    2.633000      0.5430000       3.087000 0.7659000       2.180000      0.7698000      0.9071000       1.086000
  1 1 1       4   19   25 o    5.730000      0.3207000       5.873000 0.4607000       5.586000      0.4462000      0.2864000      0.6414000
  1 1 1       4   19   26 o    3.220000      0.5298000       2.630000 0.8450000       3.810000      0.6392000      -1.181000       1.060000
  1 1 1       4   19   27 o    5.370000      0.3582000       5.725000 0.5001000       5.016000      0.5130000      0.7083000      0.7165000
  1 1 1       4   19   28 o    2.514000      0.5772000       3.183000 0.8530000       1.844000      0.7778000       1.339000       1.154000
  1 1 1       4   19   29 o    3.060000      0.5641000       3.998000 0.7442000       2.121000      0.8480000       1.877000       1.128000
  1 1 1       4   19   30 o    6.326000      0.3553000       6.213000 0.5335000       6.438000      0.4693000     -0.2256000      0.7105000
  1 1 1       4   19   31 o    1.868000      0.5750000       1.955000 0.8345000       1.780000      0.7911000      0.1748000       1.150000
  1 1 1       4   19   32 o    2.546000      0.6457000       2.020000 0.9261000       3.071000      0.9001000      -1.051000       1.291000
  1 1 1       4   20    0 o    5.783000      0.7408000       7.074000 0.7175000       4.493000       1.296000       2.580000       1.482000
  1 1 1       4   20    1 f    3.528000      0.9011000       3.689000 1.336000       3.368000       1.210000      0.3208000       1.802000
  1 1 1       4   20    2 o    3.488000      0.8776000       4.306000 1.359000       2.669000       1.111000       1.637000       1.755000
  1 1 1       4   20    3 o    3.460000      0.8717000       4.240000 1.332000       2.681000       1.125000       1.559000       1.743000
  1 1 1       4   20    4 o    2.642000      0.8197000       2.963000 1.211000       2.320000       1.105000      0.6424000       1.639000
  1 1 1       4   20    5 o    3.639000      0.9866000       3.397000 1.271000       3.881000       1.509000     -0.4838000       1.973000
  1 1 1       4   20    6 o    2.579000      0.6872000       2.208000 0.9524000       2.951000      0.9911000     -0.7434000       1.374000
  1 1 1       4   20    7 o    7.731000      0.4464000       8.297000 0.5821000       7.165000      0.6770000       1.132000      0.8928000
  1 1 1       4   20    8 o    2.462000      0.7041000       2.491000 0.9325000       2.434000       1.055000      0.5654000E-01   1.408000
  1 1 1       4   20    9 o    7.918000      0.3958000       8.294000 0.4864000       7.542000      0.6246000      0.7521000      0.7917000
  1 1 1       4   20   10 o    4.613000      0.4680000       5.426000 0.5248000       3.800000      0.7751000       1.626000      0.9360000
  1 1 1       4   20   11 o    8.173000      0.2946000       8.049000 0.4209000       8.297000      0.4123000     -0.2473000      0.5892000
  1 1 1       4   20   12 o    10.51000      0.3097000       10.34000 0.4170000       10.69000      0.4580000     -0.3455000      0.6194000
  1 1 1       4   20   13 o    10.50000      0.2709000       10.42000 0.3924000       10.58000      0.3735000     -0.1586000      0.5418000
  1 1 1       4   20   14 o    8.575000      0.2750000       8.993000 0.3934000       8.156000      0.3843000      0.8370000      0.5499000
  1 1 1       4   20   15 o    6.354000      0.4554000       6.354000 0.4554000                  ?              ?              ?              ?
  1 1 1       4   20   16 o    3.238000      0.5217000       3.184000 0.8010000       3.293000      0.6686000     -0.1092000       1.043000
  1 1 1       4   20   17 o    3.915000      0.4245000       3.019000 0.7245000       4.812000      0.4425000      -1.793000      0.8490000
  1 1 1       4   20   18 o    4.750000      0.3727000       5.056000 0.5692000       4.444000      0.4812000      0.6117000      0.7454000
  1 1 1       4   20   19 o    2.267000      0.5483000       2.019000 0.8078000       2.515000      0.7416000     -0.4956000       1.097000
  1 1 1       4   20   20 o    4.724000      0.3591000       5.027000 0.5345000       4.422000      0.4797000      0.6050000      0.7181000
  1 1 1       4   20   21 o    4.092000      0.4132000       4.511000 0.5911000       3.672000      0.5775000      0.8393000      0.8264000
  1 1 1       4   20   22 o    3.187000      0.5364000       2.631000 0.8801000       3.744000      0.6134000      -1.113000       1.073000
  1 1 1       4   20   23 o    6.258000      0.3245000       6.209000 0.5100000       6.307000      0.4014000     -0.9778000E-01  0.6490000
  1 1 1       4   20   24 o    3.351000      0.5534000       3.446000 0.7991000       3.256000      0.7659000      0.1901000       1.107000
  1 1 1       4   20   25 o    6.609000      0.3139000       6.788000 0.4585000       6.430000      0.4289000      0.3578000      0.6279000
  1 1 1       4   20   26 o    2.736000      0.5783000       2.284000 0.8547000       3.189000      0.7791000     -0.9051000       1.157000
  1 1 1       4   20   27 o    2.055000      0.5824000       1.869000 0.8031000       2.242000      0.8436000     -0.3722000       1.165000
  1 1 1       4   20   28 o    3.142000      0.6025000       3.296000 0.8538000       2.988000      0.8503000      0.3079000       1.205000
  1 1 1       4   20   29 o    2.393000      0.5995000       1.817000 0.8168000       2.968000      0.8778000      -1.151000       1.199000
  1 1 1       4   20   30 o    4.036000      0.5860000       3.489000 0.9448000       4.583000      0.6936000      -1.094000       1.172000
  1 1 1       4   20   31 o    3.555000      0.7808000       3.148000 1.090000       3.962000       1.119000     -0.8136000       1.562000
  1 1 1       4   20   32 o    1.822000      0.6182000       1.728000 0.8424000       1.917000      0.9049000     -0.1890000       1.236000
  1 1 1       4   21    0 o    5.863000      0.2747000       5.988000 0.3912000       5.739000      0.3858000      0.2497000      0.5494000
  1 1 1       4   21    1 o    8.616000      0.2677000       8.710000 0.3903000       8.521000      0.3664000      0.1882000      0.5354000
  1 1 1       4   21    2 o    2.334000      0.5591000       2.493000 0.8283000       2.175000      0.7512000      0.3184000       1.118000
  1 1 1       4   21    3 f    3.388000      0.6552000       3.002000 1.059000       3.774000      0.7719000     -0.7721000       1.310000
  1 1 1       4   21    4 o    2.640000      0.6500000       1.977000 0.9264000       3.302000      0.9119000      -1.325000       1.300000
  1 1 1       4   21    5 o    2.017000      0.6497000       2.258000 1.011000       1.776000      0.8164000      0.4823000       1.299000
  1 1 1       4   21    6 o    3.065000      0.7167000       2.458000 1.031000       3.672000      0.9957000      -1.214000       1.433000
  1 1 1       4   21    7 o    1.897000      0.6218000       1.667000 0.7949000       2.128000      0.9565000     -0.4613000       1.244000
  1 1 1       4   21    8 o    3.830000      0.7528000       3.672000 0.9933000       3.988000       1.131000     -0.3156000       1.506000
  1 1 1       4   21    9 o    7.731000      0.4172000       7.574000 0.5675000       7.888000      0.6118000     -0.3145000      0.8345000
  1 1 1       4   21   10 o    8.613000      0.3202000       8.477000 0.4507000       8.749000      0.4550000     -0.2726000      0.6404000
  1 1 1       4   21   11 o    4.737000      0.4855000       6.005000 0.5197000       3.468000      0.8202000       2.537000      0.9710000
  1 1 1       4   21   12 o    6.351000      0.3535000       6.589000 0.4855000       6.113000      0.5139000      0.4760000      0.7070000
  1 1 1       4   21   13 o    7.813000      0.2830000       7.846000 0.3982000       7.779000      0.4022000      0.6702000E-01  0.5660000
  1 1 1       4   21   14 o    3.369000      0.5175000       3.622000 0.7164000       3.116000      0.7470000      0.5063000       1.035000
  1 1 1       4   21   15 o    4.715000      0.5818000       4.715000 0.5818000                  ?              ?              ?              ?
  1 1 1       4   21   16 o    6.147000      0.3379000       6.440000 0.5019000       5.854000      0.4525000      0.5852000      0.6758000
  1 1 1       4   21   17 o    6.061000      0.4226000                  ?       ?   6.061000      0.4226000                  ?              ?
  1 1 1       4   21   18 o    6.705000      0.3116000       6.674000 0.4815000       6.736000      0.3957000     -0.6219000E-01  0.6233000
  1 1 1       4   21   19 o    4.087000      0.4754000       3.923000 0.7583000       4.251000      0.5737000     -0.3282000      0.9509000
  1 1 1       4   21   20 f    2.982000      0.5717000       2.745000 0.8869000       3.220000      0.7217000     -0.4754000       1.143000
  1 1 1       4   21   21 o    7.211000      0.2940000       6.991000 0.4485000       7.431000      0.3802000     -0.4400000      0.5879000
  1 1 1       4   21   22 o    4.229000      0.4670000       3.788000 0.7664000       4.670000      0.5340000     -0.8823000      0.9341000
  1 1 1       4   21   23 o    2.818000      0.6139000       3.068000 0.9259000       2.569000      0.8064000      0.4993000       1.228000
  1 1 1       4   21   24 o    7.186000      0.3199000       7.053000 0.4919000       7.319000      0.4090000     -0.2655000      0.6397000
  1 1 1       4   21   25 o    2.376000      0.6288000       2.513000 0.9332000       2.240000      0.8432000      0.2729000       1.258000
  1 1 1       4   21   26 o    2.229000      0.5692000       3.123000 0.9404000       1.335000      0.6415000       1.787000       1.138000
  1 1 1       4   21   27 o    3.906000      0.5415000       4.863000 0.6306000       2.950000      0.8805000       1.913000       1.083000
  1 1 1       4   21   28 f    2.510000      0.6963000       2.079000 0.8598000       2.941000       1.095000     -0.8621000       1.393000
  1 1 1       4   21   29 o    2.731000      0.7352000       3.373000 1.135000       2.090000      0.9354000       1.284000       1.470000
  1 1 1       4   21   30 o    2.020000      0.6132000       1.679000 0.8169000       2.360000      0.9146000     -0.6810000       1.226000
  1 1 1       4   21   31 o    2.163000      0.6222000       2.356000 0.9045000       1.970000      0.8545000      0.3851000       1.244000
  1 1 1       4   22    0 o    9.767000      0.2718000       10.24000 0.3851000       9.292000      0.3838000      0.9517000      0.5437000
  1 1 1       4   22    1 o    3.145000      0.5669000       3.012000 0.8732000       3.278000      0.7231000     -0.2657000       1.134000
  1 1 1       4   22    2 o    2.640000      0.5912000       2.971000 0.8486000       2.308000      0.8234000      0.6636000       1.182000
  1 1 1       4   22    3 o    2.364000      0.5833000       1.614000 0.7750000       3.114000      0.8720000      -1.500000       1.167000
  1 1 1       4   22    4 o    4.263000      0.7292000       3.888000 1.200000       4.637000      0.8284000     -0.7487000       1.458000
  1 1 1       4   22    5 o    3.091000      0.7941000       3.239000 1.203000       2.943000       1.037000      0.2953000       1.588000
  1 1 1       4   22    6 f    2.138000      0.6718000       2.788000 1.127000       1.487000      0.7315000       1.301000       1.344000
  1 1 1       4   22    7 o    3.144000      0.7884000       3.309000 1.080000       2.978000       1.149000      0.3315000       1.577000
  1 1 1       4   22    8 o    2.889000      0.8011000       2.654000 1.055000       3.125000       1.206000     -0.4711000       1.602000
  1 1 1       4   22    9 o    6.214000      0.5691000       7.038000 0.6406000       5.390000      0.9409000       1.648000       1.138000
  1 1 1       4   22   10 o    2.015000      0.6119000       1.810000 0.8089000       2.220000      0.9185000     -0.4101000       1.224000
  1 1 1       4   22   11 o    6.776000      0.3755000       6.991000 0.5005000       6.562000      0.5597000      0.4285000      0.7509000
  1 1 1       4   22   12 o    8.624000      0.3233000       8.198000 0.4586000       9.049000      0.4557000     -0.8512000      0.6465000
  1 1 1       4   22   13 o    6.071000      0.3692000       6.390000 0.4970000       5.752000      0.5460000      0.6375000      0.7383000
  1 1 1       4   22   14 o    1.697000      0.5230000       1.912000 0.7859000       1.481000      0.6902000      0.4310000       1.046000
  1 1 1       4   22   15 o    4.966000      0.3628000       5.708000 0.5238000       4.225000      0.5022000       1.483000      0.7256000
  1 1 1       4   22   16 o    7.771000      0.3069000       7.791000 0.4512000       7.751000      0.4161000      0.3956000E-01  0.6138000
  1 1 1       4   22   17 o    3.611000      0.6541000                  ?       ?   3.611000      0.6541000                  ?              ?
  1 1 1       4   22   18 o    4.162000      0.4695000       4.284000 0.7141000       4.039000      0.6097000      0.2455000      0.9389000
  1 1 1       4   22   19 o    4.175000      0.4984000       3.948000 0.7960000       4.403000      0.5999000     -0.4543000      0.9967000
  1 1 1       4   22   20 o    2.876000      0.6237000       2.716000 0.9461000       3.036000      0.8131000     -0.3200000       1.247000
  1 1 1       4   22   21 o    4.085000      0.4991000       4.684000 0.6664000       3.485000      0.7433000       1.199000      0.9983000
  1 1 1       4   22   22 o    1.915000      0.5707000       2.002000 0.8401000       1.828000      0.7727000      0.1733000       1.141000
  1 1 1       4   22   23 o    4.975000      0.4828000       4.266000 0.8238000       5.683000      0.5037000      -1.417000      0.9656000
  1 1 1       4   22   24 o    2.676000      0.6116000       2.171000 0.9001000       3.180000      0.8283000      -1.009000       1.223000
  1 1 1       4   22   25 o    3.429000      0.5826000       4.329000 0.8110000       2.529000      0.8365000       1.800000       1.165000
  1 1 1       4   22   26 o    3.287000      0.8005000       2.693000 1.067000       3.881000       1.194000      -1.188000       1.601000
  1 1 1       4   22   27 o    4.906000      0.7094000       4.954000 0.9300000       4.858000       1.071000      0.9643000E-01   1.419000
  1 1 1       4   22   28 o    3.171000      0.6893000       3.402000 0.9994000       2.941000      0.9497000      0.4616000       1.379000
  1 1 1       4   22   29 o    3.083000      0.6714000       2.951000 1.017000       3.215000      0.8773000     -0.2637000       1.343000
  1 1 1       4   22   30 o    2.523000      0.7417000       2.563000 1.062000       2.482000       1.036000      0.8142000E-01   1.483000
  1 1 1       4   23    0 o    7.412000      0.3003000       7.717000 0.4196000       7.107000      0.4296000      0.6102000      0.6005000
  1 1 1       4   23    1 o    4.286000      0.4734000       4.649000 0.6812000       3.923000      0.6575000      0.7262000      0.9468000
  1 1 1       4   23    2 f    5.540000      0.3817000       5.267000 0.5874000       5.813000      0.4876000     -0.5461000      0.7634000
  1 1 1       4   23    3 o    3.318000      0.6662000       3.778000 0.9232000       2.858000      0.9608000      0.9206000       1.332000
  1 1 1       4   23    4 o    3.590000      0.7396000       2.770000 1.122000       4.411000      0.9636000      -1.641000       1.479000
  1 1 1       4   23    5 o    2.886000      0.7576000       2.510000 1.075000       3.261000       1.068000     -0.7504000       1.515000
  1 1 1       4   23    6 o    3.483000      0.7824000       2.939000 1.155000       4.026000       1.055000      -1.088000       1.565000
  1 1 1       4   23    7 o    5.143000      0.8275000       5.875000 0.7746000       4.411000       1.462000       1.463000       1.655000
  1 1 1       4   23    8 o    5.714000      0.6566000       5.338000 0.9012000       6.091000      0.9552000     -0.7526000       1.313000
  1 1 1       4   23    9 o    3.226000      0.8169000       3.350000 1.104000       3.103000       1.205000      0.2468000       1.634000
  1 1 1       4   23   10 f    4.653000      0.5845000       5.068000 0.6756000       4.238000      0.9539000      0.8300000       1.169000
  1 1 1       4   23   11 o    5.192000      0.4781000       5.608000 0.6021000       4.776000      0.7428000      0.8322000      0.9561000
  1 1 1       4   23   12 o    3.171000      0.6328000       3.311000 0.8657000       3.031000      0.9233000      0.2798000       1.266000
  1 1 1       4   23   13 o    1.799000      0.5586000       1.761000 0.7805000       1.837000      0.7993000     -0.7603000E-01   1.117000
  1 1 1       4   23   14 o    3.010000      0.5998000       2.930000 0.8807000       3.091000      0.8144000     -0.1606000       1.200000
  1 1 1       4   23   15 o    2.260000      0.6091000       2.320000 0.8578000       2.199000      0.8649000      0.1207000       1.218000
  1 1 1       4   23   16 o    4.424000      0.4682000       4.991000 0.6099000       3.858000      0.7105000       1.133000      0.9364000
  1 1 1       4   23   17 o    3.172000      0.5610000       2.264000 0.9029000       4.080000      0.6659000      -1.816000       1.122000
  1 1 1       4   23   18 o    3.538000      0.5732000       4.092000 0.7984000       2.983000      0.8226000       1.109000       1.146000
  1 1 1       4   23   19 o    5.458000      0.4180000       5.447000 0.6457000       5.468000      0.5311000     -0.2047000E-01  0.8360000
  1 1 1       4   23   20 o    1.873000      0.5750000       2.172000 0.8950000       1.574000      0.7221000      0.5983000       1.150000
  1 1 1       4   23   21 o    3.455000      0.6157000       3.177000 0.9741000       3.733000      0.7533000     -0.5556000       1.231000
  1 1 1       4   23   22 o    2.450000      0.5689000       1.881000 0.8420000       3.019000      0.7654000      -1.137000       1.138000
  1 1 1       4   23   23 o    2.388000      0.7337000       2.173000 0.9990000       2.603000       1.075000     -0.4302000       1.467000
  1 1 1       4   23   24 o    2.272000      0.6998000       1.914000 0.9003000       2.631000       1.072000     -0.7178000       1.400000
  1 1 1       4   23   25 o    3.693000      0.6270000       3.473000 0.9867000       3.912000      0.7741000     -0.4385000       1.254000
  1 1 1       4   23   26 o    2.663000      0.6300000       3.577000 0.9784000       1.750000      0.7938000       1.827000       1.260000
  1 1 1       4   23   27 o    3.461000      0.6203000       3.325000 0.9306000       3.597000      0.8206000     -0.2721000       1.241000
  1 1 1       4   23   28 o    3.554000      0.7694000       4.917000 1.195000       2.191000      0.9699000       2.726000       1.539000
  1 1 1       4   23   29 o    2.364000      0.7157000       2.952000 1.157000       1.775000      0.8433000       1.177000       1.431000
  1 1 1       4   24    0 o    1.594000      0.5090000       1.812000 0.7801000       1.376000      0.6541000      0.4356000       1.018000
  1 1 1       4   24    1 o    1.770000      0.5542000       1.881000 0.8244000       1.658000      0.7410000      0.2232000       1.108000
  1 1 1       4   24    2 o    3.361000      0.5364000       4.670000 0.7122000       2.052000      0.8023000       2.618000       1.073000
  1 1 1       4   24    3 o    2.579000      0.7021000       2.808000 1.048000       2.350000      0.9344000      0.4574000       1.404000
  1 1 1       4   24    4 o    3.030000      0.7792000       2.893000 1.145000       3.167000       1.057000     -0.2737000       1.558000
  1 1 1       4   24    5 o    3.122000      0.7860000       2.567000 1.127000       3.676000       1.096000      -1.109000       1.572000
  1 1 1       4   24    6 o    2.528000      0.7455000       2.678000 1.102000       2.378000       1.004000      0.2992000       1.491000
  1 1 1       4   24    7 o    3.713000      0.7029000       5.166000 0.9692000       2.260000       1.018000       2.906000       1.406000
  1 1 1       4   24    8 f    4.064000      0.8024000       4.799000 1.009000       3.328000       1.248000       1.471000       1.605000
  1 1 1       4   24    9 o    4.984000      0.7345000       4.336000 1.031000       5.632000       1.047000      -1.296000       1.469000
  1 1 1       4   24   10 o    5.075000      0.5273000       5.236000 0.6234000       4.914000      0.8507000      0.3227000       1.055000
  1 1 1       4   24   11 o    3.689000      0.6041000       3.357000 0.8489000       4.022000      0.8597000     -0.6654000       1.208000
  1 1 1       4   24   12 o    3.127000      0.7056000       3.051000 0.9793000       3.203000       1.016000     -0.1519000       1.411000
  1 1 1       4   24   13 o    4.003000      0.5845000       4.018000 0.7816000       3.988000      0.8692000      0.3017000E-01   1.169000
  1 1 1       4   24   14 o    2.133000      0.5759000       2.489000 0.8568000       1.778000      0.7699000      0.7112000       1.152000
  1 1 1       4   24   15 o    6.509000      0.3482000       5.821000 0.5293000       7.198000      0.4527000      -1.376000      0.6965000
  1 1 1       4   24   16 o    3.535000      0.5905000       2.613000 0.9108000       4.458000      0.7517000      -1.845000       1.181000
  1 1 1       4   24   17 o    2.324000      0.5710000       1.558000 0.7335000       3.090000      0.8754000      -1.532000       1.142000
  1 1 1       4   24   18 o    3.883000      0.5710000       3.678000 0.9052000       4.087000      0.6962000     -0.4086000       1.142000
  1 1 1       4   24   19 o    2.543000      0.8054000       2.262000 1.078000       2.824000       1.197000     -0.5628000       1.611000
  1 1 1       4   24   20 o    3.432000      0.9078000       3.765000 1.350000       3.098000       1.214000      0.6668000       1.816000
  1 1 1       4   24   21 o    3.703000      0.9497000       4.080000 1.425000       3.326000       1.256000      0.7546000       1.899000
  1 1 1       4   24   22 o    2.884000      0.6397000       2.342000 0.9597000       3.425000      0.8460000      -1.083000       1.279000
  1 1 1       4   24   23 o    2.104000      0.6363000       2.290000 0.9504000       1.919000      0.8464000      0.3714000       1.273000
  1 1 1       4   24   24 o    2.653000      0.5825000       3.618000 0.8763000       1.688000      0.7676000       1.930000       1.165000
  1 1 1       4   24   25 o    4.494000      0.7679000       4.183000 1.238000       4.804000      0.9084000     -0.6202000       1.536000
  1 1 1       4   24   26 o    2.486000      0.6879000       1.863000 0.8991000       3.109000       1.041000      -1.246000       1.376000
  1 1 1       4   24   27 o    1.828000      0.5879000       1.529000 0.7484000       2.126000      0.9069000     -0.5976000       1.176000
  1 1 1       4   24   28 o    3.119000      0.6951000       3.683000 0.9964000       2.556000      0.9693000       1.127000       1.390000
  1 1 1       4   25    0 o    3.726000      0.5437000       3.968000 0.7178000       3.485000      0.8169000      0.4833000       1.087000
  1 1 1       4   25    1 o    3.747000      0.5860000       3.613000 0.8942000       3.881000      0.7575000     -0.2681000       1.172000
  1 1 1       4   25    2 o    3.318000      0.5876000       2.907000 0.9301000       3.729000      0.7184000     -0.8220000       1.175000
  1 1 1       4   25    3 o    4.523000      0.6416000       3.983000 1.016000       5.064000      0.7844000      -1.081000       1.283000
  1 1 1       4   25    4 f    4.167000      0.8022000       4.444000 1.204000       3.890000       1.061000      0.5538000       1.604000
  1 1 1       4   25    5 o    3.464000      0.8457000       3.723000 1.271000       3.204000       1.116000      0.5187000       1.691000
  1 1 1       4   25    6 o    5.716000      0.6339000       6.345000 0.8213000       5.088000      0.9657000       1.257000       1.268000
  1 1 1       4   25    7 o    7.433000      0.4983000       6.556000 0.7421000       8.310000      0.6653000      -1.754000      0.9967000
  1 1 1       4   25    8 o    7.207000      0.5830000       7.940000 0.7305000       6.474000      0.9088000       1.465000       1.166000
  1 1 1       4   25    9 o    3.178000      0.8099000       3.365000 1.052000       2.990000       1.232000      0.3751000       1.620000
  1 1 1       4   25   10 o    3.300000      0.6975000       2.671000 0.9482000       3.929000       1.023000      -1.258000       1.395000
  1 1 1       4   25   11 o    3.678000      0.5920000       4.694000 0.6656000       2.661000      0.9791000       2.033000       1.184000
  1 1 1       4   25   12 o    2.565000      0.6405000       3.301000 0.9550000       1.830000      0.8537000       1.471000       1.281000
  1 1 1       4   25   13 f    1.574000      0.5255000       1.529000 0.7212000       1.618000      0.7646000     -0.8904000E-01   1.051000
  1 1 1       4   25   14 o    4.189000      0.4692000       3.747000 0.7787000       4.631000      0.5236000     -0.8845000      0.9384000
  1 1 1       4   25   15 o    4.301000      0.9378000       4.728000 1.129000       3.873000       1.498000      0.8555000       1.876000
  1 1 1       4   25   16 o    3.661000       1.291000       3.661000 1.291000                  ?              ?              ?              ?
  1 1 1       4   25   17 o    2.979000      0.8916000       2.736000 1.181000       3.222000       1.336000     -0.4859000       1.783000
  1 1 1       4   25   18 o    1.927000      0.5702000       1.589000 0.7348000       2.266000      0.8720000     -0.6767000       1.140000
  1 1 1       4   25   19 o    2.526000      0.6297000       2.218000 0.9127000       2.835000      0.8676000     -0.6169000       1.259000
  1 1 1       4   25   20 o    2.794000      0.6759000       2.761000 1.007000       2.828000      0.9022000     -0.6687000E-01   1.352000
  1 1 1       4   25   21 o    2.583000      0.6734000       1.868000 0.8795000       3.298000       1.020000      -1.430000       1.347000
  1 1 1       4   25   22 o    3.346000      0.7346000       4.244000 1.098000       2.448000      0.9756000       1.797000       1.469000
  1 1 1       4   25   23 o    5.201000      0.6922000       4.775000 1.110000       5.628000      0.8271000     -0.8529000       1.384000
  1 1 1       4   25   24 o    5.323000      0.5421000       4.753000 0.9035000       5.894000      0.5995000      -1.141000       1.084000
  1 1 1       4   25   25 o    2.924000      0.6905000       2.346000 0.9771000       3.502000      0.9760000      -1.157000       1.381000
  1 1 1       4   25   26 o    3.050000      0.6430000       2.114000 0.9231000       3.987000      0.8953000      -1.873000       1.286000
  1 1 1       4   25   27 o    2.097000      0.6469000       2.295000 0.9763000       1.900000      0.8492000      0.3945000       1.294000
  1 1 1       4   26    0 o    4.416000      0.5387000       4.530000 0.7777000       4.302000      0.7455000      0.2276000       1.077000
  1 1 1       4   26    1 o    6.119000      0.4404000       5.499000 0.7257000       6.739000      0.4994000      -1.240000      0.8809000
  1 1 1       4   26    2 o    2.711000      0.6608000       2.935000 0.9355000       2.486000      0.9335000      0.4490000       1.322000
  1 1 1       4   26    3 o    2.750000      0.7154000       2.775000 1.040000       2.724000      0.9829000      0.5105000E-01   1.431000
  1 1 1       4   26    4 o    4.357000      0.7307000       2.861000 1.185000       5.854000      0.8559000      -2.993000       1.461000
  1 1 1       4   26    5 o    9.075000      0.5032000       8.713000 0.7443000       9.436000      0.6775000     -0.7227000       1.006000
  1 1 1       4   26    6 o    6.475000      0.8638000       7.097000 0.7428000       5.854000       1.560000       1.243000       1.728000
  1 1 1       4   26    7 f    7.097000      0.5064000       7.003000 0.6833000       7.191000      0.7475000     -0.1879000       1.013000
  1 1 1       4   26    8 o    3.560000      0.8650000       3.217000 1.142000       3.903000       1.299000     -0.6853000       1.730000
  1 1 1       4   26    9 o    4.531000       1.012000       3.319000 1.289000       5.744000       1.561000      -2.426000       2.024000
  1 1 1       4   26   10 o    2.842000      0.8987000       2.445000 1.108000       3.239000       1.416000     -0.7945000       1.797000
  1 1 1       4   26   11 o    3.393000      0.8547000       4.415000 1.284000       2.371000       1.129000       2.044000       1.709000
  1 1 1       4   26   12 f    4.071000      0.9615000       3.809000 1.312000       4.334000       1.406000     -0.5253000       1.923000
  1 1 1       4   26   13 o    3.221000      0.7123000       3.319000 0.9414000       3.122000       1.069000      0.1968000       1.425000
  1 1 1       4   26   14 o    2.113000      0.6044000       1.627000 0.7530000       2.598000      0.9457000     -0.9714000       1.209000
  1 1 1       4   26   15 o    2.284000      0.6000000       1.741000 0.7974000       2.827000      0.8967000      -1.086000       1.200000
  1 1 1       4   26   16 o    3.442000      0.9090000       3.442000 0.9090000                  ?              ?              ?              ?
  1 1 1       4   26   17 o    4.394000      0.6085000       3.857000 1.062000       4.931000      0.5945000      -1.074000       1.217000
  1 1 1       4   26   18 f    1.936000      0.8522000                  ?       ?   1.936000      0.8522000                  ?              ?
  1 1 1       4   26   19 o    3.902000      0.6874000       3.652000 1.076000       4.151000      0.8551000     -0.4991000       1.375000
  1 1 1       4   26   20 o    2.441000      0.6488000       2.206000 0.9322000       2.677000      0.9025000     -0.4708000       1.298000
  1 1 1       4   26   21 o    2.129000      0.6474000       2.262000 0.9585000       1.996000      0.8706000      0.2668000       1.295000
  1 1 1       4   26   22 o    4.464000      0.6390000       3.689000 1.062000       5.239000      0.7108000      -1.550000       1.278000
  1 1 1       4   26   23 o    4.403000      0.6674000       4.125000 1.041000       4.682000      0.8362000     -0.5567000       1.335000
  1 1 1       4   26   24 o    2.193000      0.6671000       2.005000 0.9143000       2.380000      0.9718000     -0.3745000       1.334000
  1 1 1       4   26   25 o    2.959000      0.7188000       2.587000 1.036000       3.331000      0.9966000     -0.7431000       1.438000
  1 1 1       4   26   26 o    2.448000      0.6334000       1.571000 0.7694000       3.324000       1.006000      -1.753000       1.267000
  1 1 1       4   27    0 o    5.480000      0.5940000       6.393000 0.7107000       4.566000      0.9521000       1.827000       1.188000
  1 1 1       4   27    1 o    8.150000      0.4377000       8.316000 0.6639000       7.983000      0.5707000      0.3328000      0.8754000
  1 1 1       4   27    2 o    4.646000      0.6679000       5.027000 0.9619000       4.266000      0.9269000      0.7606000       1.336000
  1 1 1       4   27    3 o    3.234000      0.7331000       4.078000 1.103000       2.390000      0.9659000       1.688000       1.466000
  1 1 1       4   27    4 o    6.023000      0.6983000       5.337000 1.195000       6.710000      0.7224000      -1.372000       1.397000
  1 1 1       4   27    5 f    4.768000      0.9368000       5.451000 1.398000       4.084000       1.248000       1.367000       1.874000
  1 1 1       4   27    6 o    2.359000      0.7536000       2.307000 1.112000       2.412000       1.017000     -0.1055000       1.507000
  1 1 1       4   27    7 o    2.638000      0.7585000       3.043000 1.145000       2.232000      0.9945000      0.8109000       1.517000
  1 1 1       4   27    8 o    2.774000      0.8017000       2.268000 1.016000       3.279000       1.240000      -1.011000       1.603000
  1 1 1       4   27    9 o    2.813000      0.7654000       3.174000 1.101000       2.451000       1.063000      0.7232000       1.531000
  1 1 1       4   27   10 o    1.868000      0.6070000       1.967000 0.8738000       1.769000      0.8429000      0.1988000       1.214000
  1 1 1       4   27   11 o    4.660000      0.5975000       4.935000 0.7252000       4.384000      0.9499000      0.5504000       1.195000
  1 1 1       4   27   12 o    3.947000      0.6359000       3.842000 0.8345000       4.053000      0.9598000     -0.2106000       1.272000
  1 1 1       4   27   13 o    4.064000      0.7129000       3.097000 1.100000       5.031000      0.9073000      -1.934000       1.426000
  1 1 1       4   27   14 o    3.597000      0.6868000       3.044000 1.049000       4.149000      0.8865000      -1.105000       1.374000
  1 1 1       4   27   15 o    3.449000      0.7212000       3.197000 1.068000       3.701000      0.9701000     -0.5040000       1.442000
  1 1 1       4   27   16 o    3.994000      0.5696000       3.428000 0.9802000       4.559000      0.5805000      -1.130000       1.139000
  1 1 1       4   27   17 o    1.899000      0.5952000       1.778000 0.8167000       2.020000      0.8662000     -0.2414000       1.190000
  1 1 1       4   27   18 o    2.113000      0.8906000                  ?       ?   2.113000      0.8906000                  ?              ?
  1 1 1       4   27   19 o    4.227000      0.6114000       3.928000 0.9530000       4.526000      0.7660000     -0.5982000       1.223000
  1 1 1       4   27   20 o    3.182000      0.6836000       2.714000 1.020000       3.650000      0.9102000     -0.9361000       1.367000
  1 1 1       4   27   21 o    2.916000      0.7092000       3.299000 1.035000       2.534000      0.9694000      0.7657000       1.418000
  1 1 1       4   27   22 o    2.487000      0.7122000       2.588000 1.052000       2.385000      0.9602000      0.2033000       1.424000
  1 1 1       4   27   23 o    2.815000      0.7401000       3.013000 1.088000       2.617000       1.003000      0.3958000       1.480000
  1 1 1       4   27   24 o    2.942000      0.7176000       3.653000 1.078000       2.231000      0.9476000       1.422000       1.435000
  1 1 1       4   27   25 o    2.024000      0.6532000       2.253000 1.001000       1.796000      0.8398000      0.4578000       1.306000
  1 1 1       4   28    0 o    2.659000      0.6864000       2.556000 0.9673000       2.763000      0.9741000     -0.2074000       1.373000
  1 1 1       4   28    1 o    4.412000      0.6054000       5.060000 0.7953000       3.765000      0.9130000       1.294000       1.211000
  1 1 1       4   28    2 o    4.891000      0.5726000       5.345000 0.7847000       4.436000      0.8342000      0.9088000       1.145000
  1 1 1       4   28    3 o    4.506000      0.6700000       4.491000 1.033000       4.521000      0.8532000     -0.2997000E-01   1.340000
  1 1 1       4   28    4 o    2.924000      0.7263000       2.196000 0.9801000       3.652000       1.072000      -1.456000       1.453000
  1 1 1       4   28    5 o    2.968000      0.8642000       3.093000 1.402000       2.843000       1.011000      0.2501000       1.728000
  1 1 1       4   28    6 o    2.914000      0.8961000       2.670000 1.208000       3.157000       1.324000     -0.4876000       1.792000
  1 1 1       4   28    7 o    5.413000      0.9593000       5.733000 1.228000       5.094000       1.475000      0.6390000       1.919000
  1 1 1       4   28    8 o    3.001000      0.8691000       2.741000 1.166000       3.261000       1.289000     -0.5206000       1.738000
  1 1 1       4   28    9 o    2.993000      0.8232000       3.288000 1.170000       2.699000       1.159000      0.5892000       1.646000
  1 1 1       4   28   10 o    3.828000      0.8033000       3.717000 1.091000       3.939000       1.180000     -0.2212000       1.607000
  1 1 1       4   28   11 o    2.165000      0.6501000       2.417000 0.9568000       1.914000      0.8802000      0.5035000       1.300000
  1 1 1       4   28   12 o    2.466000      0.6619000       3.100000 1.011000       1.832000      0.8542000       1.269000       1.324000
  1 1 1       4   28   13 o    2.800000      0.7362000       3.004000 1.055000       2.596000       1.027000      0.4073000       1.472000
  1 1 1       4   28   14 o    2.219000      0.6583000       2.658000 1.016000       1.781000      0.8376000      0.8772000       1.317000
  1 1 1       4   28   15 o    4.193000      0.5881000       4.187000 0.8615000       4.198000      0.8008000     -0.1149000E-01   1.176000
  1 1 1       4   28   16 o    2.900000      0.6386000       1.853000 0.8557000       3.947000      0.9483000      -2.093000       1.277000
  1 1 1       4   28   17 o    2.262000      0.6710000       2.285000 0.9770000       2.240000      0.9199000      0.4517000E-01   1.342000
  1 1 1       4   28   18 o    2.637000      0.6573000       2.023000 0.9345000       3.252000      0.9245000      -1.229000       1.315000
  1 1 1       4   28   19 o    2.640000      0.7090000       3.134000 1.079000       2.146000      0.9198000      0.9884000       1.418000
  1 1 1       4   28   20 o    2.555000      0.7084000       2.330000 0.9998000       2.779000       1.004000     -0.4484000       1.417000
  1 1 1       4   28   21 o    2.921000      0.7431000       3.171000 1.085000       2.672000       1.016000      0.4989000       1.486000
  1 1 1       4   28   22 o    2.084000      0.6532000       2.402000 1.009000       1.766000      0.8301000      0.6361000       1.306000
  1 1 1       4   28   23 f    2.236000      0.6829000       2.690000 1.078000       1.782000      0.8382000      0.9080000       1.366000
  1 1 1       4   29    0 o    2.148000      0.8618000       2.148000 0.8618000                  ?              ?              ?              ?
  1 1 1       4   29    1 o    2.062000      0.6164000       2.152000 0.9213000       1.972000      0.8191000      0.1798000       1.233000
  1 1 1       4   29    2 o    5.589000      0.5086000       5.475000 0.7729000       5.704000      0.6614000     -0.2293000       1.017000
  1 1 1       4   29    3 o    2.312000      0.6726000       2.952000 1.083000       1.672000      0.7976000       1.281000       1.345000
  1 1 1       4   29    4 o    4.378000      0.7465000       5.143000 0.9784000       3.613000       1.128000       1.530000       1.493000
  1 1 1       4   29    5 o    3.054000      0.8009000       3.222000 1.146000       2.885000       1.119000      0.3371000       1.602000
  1 1 1       4   29    6 o    4.465000      0.7105000       3.244000 1.132000       5.687000      0.8586000      -2.443000       1.421000
  1 1 1       4   29    7 o    1.804000      0.6062000       1.863000 0.8731000       1.746000      0.8413000      0.1174000       1.212000
  1 1 1       4   29    8 o    2.066000      0.6633000       2.003000 0.9125000       2.129000      0.9630000     -0.1262000       1.327000
  1 1 1       4   29    9 o    2.731000      0.8063000       2.714000 1.075000       2.749000       1.202000     -0.3504000E-01   1.613000
  1 1 1       4   29   10 o    2.313000      0.6945000       2.644000 1.044000       1.982000      0.9162000      0.6623000       1.389000
  1 1 1       4   29   11 o    3.222000      0.7283000       3.738000 1.012000       2.707000       1.047000       1.031000       1.457000
  1 1 1       4   29   12 o    4.203000      0.6918000       3.370000 1.064000       5.035000      0.8841000      -1.665000       1.384000
  1 1 1       4   29   13 o    4.532000      0.6631000       5.562000 0.7633000       3.503000       1.085000       2.059000       1.326000
  1 1 1       4   29   14 o    2.558000      0.7099000       2.499000 1.007000       2.617000       1.001000     -0.1177000       1.420000
  1 1 1       4   29   15 f    2.737000      0.7179000       2.977000 1.058000       2.497000      0.9706000      0.4797000       1.436000
  1 1 1       4   29   16 o    2.317000      0.6755000       2.388000 0.9760000       2.246000      0.9341000      0.1426000       1.351000
  1 1 1       4   29   17 o    3.194000      0.7348000       3.820000 1.056000       2.567000       1.022000       1.253000       1.470000
  1 1 1       4   29   18 f    2.212000      0.6576000       1.661000 0.8069000       2.763000       1.039000      -1.102000       1.315000
  1 1 1       4   29   19 o    1.974000      0.6307000       2.154000 0.9560000       1.795000      0.8229000      0.3593000       1.261000
  1 1 1       4   29   20 o    2.419000      0.7042000       2.666000 1.049000       2.172000      0.9402000      0.4945000       1.408000
  1 1 1       4   29   21 o    2.562000      0.7317000       2.241000 0.9890000       2.884000       1.079000     -0.6437000       1.463000
  1 1 1       4   29   22 o    3.610000      0.8004000       3.734000 1.125000       3.486000       1.139000      0.2480000       1.601000
  1 1 1       4   30    0 o    3.133000      0.6809000       4.034000 0.9687000       2.233000      0.9573000       1.800000       1.362000
  1 1 1       4   30    1 o    2.170000      0.6606000       2.118000 0.9141000       2.222000      0.9540000     -0.1041000       1.321000
  1 1 1       4   30    2 o    2.879000      0.6416000       1.977000 0.8864000       3.780000      0.9278000      -1.803000       1.283000
  1 1 1       4   30    3 o    3.191000      0.7224000       3.264000 1.026000       3.117000       1.017000      0.1474000       1.445000
  1 1 1       4   30    4 o    2.006000      0.6390000       2.259000 0.9646000       1.753000      0.8383000      0.5061000       1.278000
  1 1 1       4   30    5 o    2.107000      0.6624000       1.688000 0.8029000       2.526000       1.054000     -0.8379000       1.325000
  1 1 1       4   30    6 o    2.297000      0.6936000       2.129000 0.9181000       2.465000       1.040000     -0.3364000       1.387000
  1 1 1       4   30    7 o    4.629000      0.7032000       5.268000 0.8286000       3.990000       1.137000       1.278000       1.406000
  1 1 1       4   30    8 o    3.402000      0.7402000       2.343000 0.9950000       4.461000       1.096000      -2.118000       1.480000
  1 1 1       4   30    9 o    2.415000      0.7306000       2.606000 1.058000       2.224000       1.008000      0.3814000       1.461000
  1 1 1       4   30   10 f    2.835000      0.7256000       2.105000 0.9300000       3.565000       1.114000      -1.460000       1.451000
  1 1 1       4   30   11 o    2.434000      0.7095000       2.342000 0.9868000       2.526000       1.020000     -0.1837000       1.419000
  1 1 1       4   30   12 o    2.937000      0.7520000       3.508000 1.117000       2.367000       1.008000       1.142000       1.504000
  1 1 1       4   30   13 o    2.567000      0.7317000       2.969000 1.110000       2.166000      0.9535000      0.8033000       1.463000
  1 1 1       4   30   14 o    2.537000      0.7339000       2.923000 1.114000       2.151000      0.9556000      0.7713000       1.468000
  1 1 1       4   30   15 o    4.480000      0.7649000       5.170000 1.118000       3.789000       1.045000       1.381000       1.530000
  1 1 1       4   30   16 o    3.063000      0.7107000       2.243000 0.9856000       3.884000       1.024000      -1.641000       1.421000
  1 1 1       4   30   17 o    2.309000      0.6887000       2.656000 1.071000       1.963000      0.8663000      0.6929000       1.377000
  1 1 1       4   30   18 o    2.855000      0.7613000       2.840000 1.084000       2.871000       1.069000     -0.3077000E-01   1.523000
  1 1 1       4   30   19 o    2.004000      0.6526000       1.924000 0.9012000       2.084000      0.9440000     -0.1598000       1.305000
  1 1 1       4   30   20 o    2.462000      0.7428000       2.389000 1.042000       2.535000       1.059000     -0.1461000       1.486000
  1 1 1       4   31    0 o    3.620000      0.7914000       3.658000 1.101000       3.582000       1.138000      0.7590000E-01   1.583000
  1 1 1       4   31    1 o    2.430000      0.7349000       2.633000 1.081000       2.227000      0.9960000      0.4064000       1.470000
  1 1 1       4   31    2 o    3.147000      0.7620000       3.710000 1.094000       2.585000       1.061000       1.125000       1.524000
  1 1 1       4   31    3 o    2.365000      0.6989000       2.927000 1.099000       1.803000      0.8637000       1.123000       1.398000
  1 1 1       4   31    4 o    2.351000      0.7325000       2.064000 0.9468000       2.638000       1.118000     -0.5746000       1.465000
  1 1 1       4   31    5 o    3.039000      0.8094000       2.811000 1.093000       3.266000       1.194000     -0.4557000       1.619000
  1 1 1       4   31    6 o    4.188000      0.8046000       4.083000 1.096000       4.293000       1.178000     -0.2103000       1.609000
  1 1 1       4   31    7 o    2.189000      0.7044000       2.119000 0.9607000       2.259000       1.030000     -0.1398000       1.409000
  1 1 1       4   31    8 o    2.559000      0.7499000       2.220000 0.9738000       2.899000       1.141000     -0.6796000       1.500000
  1 1 1       4   31    9 o    3.053000      0.7243000       2.231000 0.9992000       3.875000       1.049000      -1.645000       1.449000
  1 1 1       4   31   10 o    2.077000      0.6661000       2.030000 0.9362000       2.124000      0.9477000     -0.9453000E-01   1.332000
  1 1 1       4   31   11 o    2.013000      0.6487000       2.369000 1.019000       1.657000      0.8024000      0.7116000       1.297000
  1 1 1       4   31   12 o    3.150000      0.7380000       4.201000 1.120000       2.099000      0.9612000       2.103000       1.476000
  1 1 1       4   31   13 o    2.592000      0.7572000       2.567000 1.072000       2.618000       1.069000     -0.5036000E-01   1.514000
  1 1 1       4   31   14 o    2.711000      0.7804000       2.806000 1.123000       2.616000       1.084000      0.1893000       1.561000
  1 1 1       4   31   15 o    2.549000      0.7557000       2.464000 1.054000       2.635000       1.083000     -0.1712000       1.511000
  1 1 1       4   31   16 o    2.848000      0.8261000       2.430000 1.097000       3.266000       1.235000     -0.8352000       1.652000
  1 1 1       4   31   17 o    2.299000       1.015000       2.299000 1.015000                  ?              ?              ?              ?
  1 1 1       4   31   18 o    2.615000      0.7602000       2.672000 1.104000       2.557000       1.045000      0.1150000       1.520000
  1 1 1       4   32    0 o    3.586000      0.8470000       3.998000 1.183000       3.173000       1.213000      0.8250000       1.694000
  1 1 1       4   32    1 o    2.425000      0.7514000       2.647000 1.103000       2.202000       1.020000      0.4449000       1.503000
  1 1 1       4   32    2 o    3.420000      0.8391000       3.154000 1.170000       3.686000       1.203000     -0.5320000       1.678000
  1 1 1       4   32    3 f    2.022000      0.6673000       2.229000 1.006000       1.815000      0.8772000      0.4133000       1.335000
  1 1 1       4   32    4 o    2.149000      0.6865000       1.872000 0.8909000       2.427000       1.045000     -0.5546000       1.373000
  1 1 1       4   32    5 o    2.232000      0.6872000       1.857000 0.8737000       2.608000       1.061000     -0.7509000       1.374000
  1 1 1       4   32    6 o    2.165000      0.6850000       1.854000 0.8818000       2.476000       1.049000     -0.6217000       1.370000
  1 1 1       4   32    7 o    2.790000      0.7599000       2.295000 0.9987000       3.286000       1.146000     -0.9917000       1.520000
  1 1 1       4   32    8 o    3.370000      0.7920000       2.854000 1.089000       3.887000       1.150000      -1.033000       1.584000
  1 1 1       4   32    9 o    2.813000      0.7657000       2.299000 1.007000       3.327000       1.154000      -1.028000       1.531000
  1 1 1       4   32   10 o    3.029000      0.8329000       2.928000 1.146000       3.131000       1.209000     -0.2028000       1.666000
  1 1 1       4   32   11 o    3.443000      0.7306000       2.345000 1.033000       4.540000       1.034000      -2.195000       1.461000
  1 1 1       4   32   12 o    2.845000      0.7572000       3.707000 1.202000       1.982000      0.9218000       1.726000       1.514000
  1 1 1       4   32   13 f    3.713000      0.7051000       2.350000 1.047000       5.075000      0.9444000      -2.726000       1.410000
  1 1 1       4   32   14 o    3.186000      0.8102000       3.614000 1.184000       2.758000       1.107000      0.8563000       1.620000
  1 1 1       4   32   15 o    2.855000      0.7945000       2.911000 1.141000       2.799000       1.106000      0.1119000       1.589000
  1 1 1       4   32   16 o    3.938000      0.8173000       3.592000 1.173000       4.284000       1.138000     -0.6916000       1.635000
  1 1 1       4   33    0 o    3.569000      0.8318000       3.450000 1.112000       3.689000       1.237000     -0.2385000       1.664000
  1 1 1       4   33    1 o    4.727000      0.7601000       5.027000 0.9496000       4.427000       1.187000      0.6000000       1.520000
  1 1 1       4   33    2 o    2.869000      0.7559000       3.442000 1.101000       2.297000       1.036000       1.145000       1.512000
  1 1 1       4   33    3 o    3.168000      0.7371000       3.997000 1.044000       2.339000       1.040000       1.658000       1.474000
  1 1 1       4   33    4 o    3.095000      0.7845000       2.344000 0.9914000       3.846000       1.216000      -1.501000       1.569000
  1 1 1       4   33    5 o    2.458000      0.7516000       2.651000 1.096000       2.266000       1.028000      0.3848000       1.503000
  1 1 1       4   33    6 o    2.872000      0.8097000       2.623000 1.097000       3.121000       1.192000     -0.4977000       1.619000
  1 1 1       4   33    7 o    2.988000      0.8042000       2.725000 1.092000       3.250000       1.181000     -0.5243000       1.608000
  1 1 1       4   33    8 o    2.790000      0.7792000       3.248000 1.164000       2.333000       1.036000      0.9159000       1.558000
  1 1 1       4   33    9 o    2.491000      0.7247000       3.042000 1.124000       1.941000      0.9145000       1.101000       1.449000
  1 1 1       4   33   10 o    2.542000      0.7360000       2.022000 0.9491000       3.063000       1.125000      -1.041000       1.472000
  1 1 1       4   33   11 o    2.666000      0.7454000       1.949000 0.9242000       3.384000       1.170000      -1.434000       1.491000
  1 1 1       4   33   12 o    3.777000      0.8309000       4.147000 1.156000       3.406000       1.193000      0.7412000       1.662000
  1 1 1       4   33   13 o    3.039000      0.7909000       2.527000 1.087000       3.550000       1.149000      -1.023000       1.582000
  1 1 1       4   34    0 o    3.518000      0.8028000       2.986000 1.102000       4.051000       1.167000      -1.065000       1.606000
  1 1 1       4   34    1 o    3.131000      0.8041000       3.054000 1.102000       3.208000       1.171000     -0.1538000       1.608000
  1 1 1       4   34    2 o    3.695000      0.7993000       2.969000 1.092000       4.420000       1.168000      -1.451000       1.599000
  1 1 1       4   34    3 o    3.863000      0.8173000       4.378000 1.084000       3.349000       1.223000       1.029000       1.635000
  1 1 1       4   34    4 o    2.767000      0.7874000       2.455000 1.043000       3.079000       1.180000     -0.6246000       1.575000
  1 1 1       4   34    5 o    3.164000      0.7946000       2.623000 1.077000       3.704000       1.168000      -1.081000       1.589000
  1 1 1       4   34    6 o    2.810000      0.7880000       2.701000 1.094000       2.919000       1.135000     -0.2187000       1.576000
  1 1 1       4   34    7 o    2.681000      0.7789000       2.822000 1.116000       2.539000       1.087000      0.2834000       1.558000
  1 1 1       4   34    8 o    2.243000      0.7135000       1.794000 0.8635000       2.691000       1.136000     -0.8968000       1.427000
  1 1 1       4   34    9 o    2.994000      0.7981000       2.918000 1.121000       3.070000       1.136000     -0.1519000       1.596000
  1 1 1       4   34   10 o    4.126000      0.9040000       5.467000 1.287000       2.784000       1.270000       2.683000       1.808000
  1 1 1       4   35    0 o    2.859000      0.7346000       3.758000 1.132000       1.961000      0.9371000       1.796000       1.469000
  1 1 1       4   35    1 o    2.283000      0.7211000       2.418000 1.042000       2.148000      0.9969000      0.2696000       1.442000
  1 1 1       4   35    2 o    2.506000      0.7540000       1.964000 0.9187000       3.048000       1.196000      -1.084000       1.508000
  1 1 1       4   35    3 o    3.018000      0.7456000       3.687000 1.014000       2.348000       1.093000       1.339000       1.491000
  1 1 1       4   35    4 o    3.718000       1.174000                  ?       ?   3.718000       1.174000                  ?              ?
  1 1 1       5  -31    0 o    3.135000      0.9518000       4.054000 1.609000       2.215000       1.017000       1.839000       1.904000
  1 1 1       5  -31    1 o    3.145000      0.9345000       3.580000 1.465000       2.710000       1.160000      0.8704000       1.869000
  1 1 1       5  -31    2 o    3.334000      0.9145000       4.396000 1.472000       2.272000       1.085000       2.123000       1.829000
  1 1 1       5  -30    0 o    4.577000      0.8047000       5.112000 1.052000       4.043000       1.218000       1.069000       1.609000
  1 1 1       5  -30    1 o    3.160000      0.8169000       2.698000 1.106000       3.622000       1.203000     -0.9238000       1.634000
  1 1 1       5  -30    2 o    3.058000      0.8226000       3.596000 1.217000       2.519000       1.107000       1.077000       1.645000
  1 1 1       5  -30    3 o    2.478000      0.7181000       1.817000 0.8662000       3.139000       1.146000      -1.322000       1.436000
  1 1 1       5  -30    4 o    2.463000      0.7393000       2.379000 1.027000       2.547000       1.064000     -0.1680000       1.479000
  1 1 1       5  -30    5 o    2.960000      0.8003000       2.677000 1.114000       3.243000       1.149000     -0.5660000       1.601000
  1 1 1       5  -30    6 o    4.574000      0.7215000       5.263000 0.9279000       3.885000       1.105000       1.378000       1.443000
  1 1 1       5  -30    7 o    2.692000      0.7636000       2.904000 1.134000       2.479000       1.022000      0.4253000       1.527000
  1 1 1       5  -30    8 o    2.289000      0.7007000       2.500000 1.055000       2.079000      0.9227000      0.4207000       1.401000
  1 1 1       5  -30    9 o    2.133000      0.6915000       2.412000 1.088000       1.854000      0.8539000      0.5588000       1.383000
  1 1 1       5  -29    0 o    4.436000      0.8066000       5.163000 1.041000       3.710000       1.233000       1.454000       1.613000
  1 1 1       5  -29    1 o    1.946000      0.6542000       1.837000 0.8868000       2.056000      0.9622000     -0.2189000       1.308000
  1 1 1       5  -29    2 o    2.986000      0.7433000       4.052000 1.174000       1.919000      0.9115000       2.133000       1.487000
  1 1 1       5  -29    3 o    2.615000      0.7851000       2.164000 0.9727000       3.065000       1.233000     -0.9002000       1.570000
  1 1 1       5  -29    4 o    2.672000      0.7736000       2.537000 1.075000       2.806000       1.113000     -0.2687000       1.547000
  1 1 1       5  -29    5 o    2.150000      0.7281000       2.437000 1.150000       1.864000      0.8929000      0.5733000       1.456000
  1 1 1       5  -29    6 o    2.293000      0.7211000       2.336000 1.049000       2.251000      0.9898000      0.8461000E-01   1.442000
  1 1 1       5  -29    7 o    2.913000      0.7178000       3.745000 1.091000       2.081000      0.9332000       1.664000       1.436000
  1 1 1       5  -29    8 o    3.067000      0.7423000       3.779000 1.108000       2.356000      0.9881000       1.423000       1.485000
  1 1 1       5  -29    9 o    2.082000      0.6520000       1.849000 0.8877000       2.314000      0.9552000     -0.4647000       1.304000
  1 1 1       5  -29   10 o    3.218000      0.7752000       3.481000 1.188000       2.955000      0.9964000      0.5267000       1.550000
  1 1 1       5  -29   11 o    5.030000      0.6464000       3.916000 1.099000       6.145000      0.6802000      -2.229000       1.293000
  1 1 1       5  -29   12 o    4.975000      0.6604000       5.135000 0.9719000       4.814000      0.8943000      0.3206000       1.321000
  1 1 1       5  -28    0 o    2.871000      0.8072000       3.050000 1.145000       2.693000       1.139000      0.3569000       1.614000
  1 1 1       5  -28    1 o    3.115000      0.8399000       3.384000 1.198000       2.846000       1.177000      0.5377000       1.680000
  1 1 1       5  -28    2 o    4.775000      0.7681000       5.211000 0.9754000       4.340000       1.187000      0.8712000       1.536000
  1 1 1       5  -28    3 o    2.521000       1.083000       2.521000 1.083000                  ?              ?              ?              ?
  1 1 1       5  -28    4 o    3.387000      0.7254000       4.560000 1.065000       2.214000      0.9857000       2.347000       1.451000
  1 1 1       5  -28    5 o    2.327000       1.012000                  ?       ?   2.327000       1.012000                  ?              ?
  1 1 1       5  -28    6 o    2.920000      0.7953000       3.358000 1.198000       2.482000       1.046000      0.8764000       1.591000
  1 1 1       5  -28    7 o    4.059000      0.7742000       3.948000 1.129000       4.171000       1.060000     -0.2230000       1.548000
  1 1 1       5  -28    8 f    2.731000      0.7331000       3.000000 1.090000       2.462000      0.9802000      0.5372000       1.466000
  1 1 1       5  -28    9 o    3.361000      0.7736000       3.338000 1.158000       3.384000       1.026000     -0.4571000E-01   1.547000
  1 1 1       5  -28   10 o    3.416000      0.7285000       2.720000 1.104000       4.112000      0.9511000      -1.392000       1.457000
  1 1 1       5  -28   11 o    2.872000      0.7085000       2.241000 0.9852000       3.503000       1.019000      -1.262000       1.417000
  1 1 1       5  -28   12 o    2.586000      0.7175000       2.186000 0.9856000       2.986000       1.043000     -0.8006000       1.435000
  1 1 1       5  -28   13 o    3.214000      0.7382000       3.461000 1.081000       2.967000       1.006000      0.4940000       1.476000
  1 1 1       5  -28   14 o    2.540000      0.6993000       3.304000 1.126000       1.775000      0.8299000       1.530000       1.399000
  1 1 1       5  -28   15 o    2.932000      0.7319000       2.408000 1.030000       3.456000       1.040000      -1.047000       1.464000
  1 1 1       5  -27    0 o    2.670000      0.7766000       2.649000 1.084000       2.692000       1.112000     -0.4276000E-01   1.553000
  1 1 1       5  -27    1 o    4.389000      0.8044000       4.848000 1.077000       3.930000       1.195000      0.9184000       1.609000
  1 1 1       5  -27    2 o    2.414000      0.7324000       1.783000 0.8722000       3.045000       1.177000      -1.262000       1.465000
  1 1 1       5  -27    3 o    4.732000       1.317000       4.732000 1.317000                  ?              ?              ?              ?
  1 1 1       5  -27    4 o    2.318000      0.7209000       2.593000 1.110000       2.043000      0.9196000      0.5501000       1.442000
  1 1 1       5  -27    5 o    3.532000      0.8696000       4.207000 1.357000       2.858000       1.088000       1.349000       1.739000
  1 1 1       5  -27    6 o    2.376000      0.7443000       2.439000 1.087000       2.312000       1.017000      0.1272000       1.489000
  1 1 1       5  -27    7 o    3.497000      0.7652000       3.487000 1.100000       3.508000       1.063000     -0.2131000E-01   1.530000
  1 1 1       5  -27    8 o    2.899000      0.7301000       3.167000 1.048000       2.631000       1.016000      0.5358000       1.460000
  1 1 1       5  -27    9 o    2.443000      0.7098000       2.457000 1.022000       2.429000      0.9852000      0.2806000E-01   1.420000
  1 1 1       5  -27   10 f    2.667000      0.6999000       1.940000 0.8974000       3.394000       1.074000      -1.454000       1.400000
  1 1 1       5  -27   11 o    3.349000      0.7108000       2.944000 1.049000       3.753000      0.9598000     -0.8088000       1.422000
  1 1 1       5  -27   12 o    3.454000      0.8044000       2.925000 1.343000       3.983000      0.8861000      -1.057000       1.609000
  1 1 1       5  -27   13 o    3.416000       1.007000       4.061000 1.556000       2.771000       1.280000       1.290000       2.015000
  1 1 1       5  -27   14 o    3.063000      0.9584000       2.933000 1.325000       3.192000       1.385000     -0.2590000       1.917000
  1 1 1       5  -27   15 o    4.274000       1.702000       4.274000 1.702000                  ?              ?              ?              ?
  1 1 1       5  -27   16 o    2.639000      0.8834000       2.489000 1.202000       2.789000       1.295000     -0.3001000       1.767000
  1 1 1       5  -27   17 o    4.048000       1.104000       3.956000 1.577000       4.139000       1.546000     -0.1837000       2.208000
  1 1 1       5  -27   18 f    2.410000       1.178000       2.410000 1.178000                  ?              ?              ?              ?
  1 1 1       5  -26    0 f    3.297000      0.7271000       4.221000 1.037000       2.373000       1.020000       1.849000       1.454000
  1 1 1       5  -26    1 o    2.660000      0.7468000       2.445000 1.015000       2.875000       1.096000     -0.4298000       1.494000
  1 1 1       5  -26    2 o    3.599000      0.8432000       2.918000 1.170000       4.281000       1.215000      -1.363000       1.686000
  1 1 1       5  -26    3 o    3.157000      0.8587000       3.671000 1.282000       2.643000       1.143000       1.028000       1.717000
  1 1 1       5  -26    4 o    3.229000      0.9237000       3.578000 1.392000       2.880000       1.215000      0.6977000       1.847000
  1 1 1       5  -26    5 o    3.019000      0.9065000       2.756000 1.259000       3.283000       1.304000     -0.5276000       1.813000
  1 1 1       5  -26    6 o    4.346000      0.9524000       3.373000 1.426000       5.319000       1.263000      -1.946000       1.905000
  1 1 1       5  -26    7 o    3.808000       1.003000       4.602000 1.564000       3.015000       1.256000       1.588000       2.006000
  1 1 1       5  -26    8 o    3.108000      0.6787000       2.973000 1.023000       3.244000      0.8927000     -0.2705000       1.357000
  1 1 1       5  -26    9 o    1.657000      0.5629000       1.794000 0.8446000       1.520000      0.7444000      0.2745000       1.126000
  1 1 1       5  -26   10 o    1.856000      0.6076000       1.789000 0.8344000       1.923000      0.8834000     -0.1343000       1.215000
  1 1 1       5  -26   11 o    3.023000      0.7101000       3.398000 1.031000       2.649000      0.9769000      0.7490000       1.420000
  1 1 1       5  -26   12 o    3.104000      0.7063000       3.670000 1.031000       2.538000      0.9660000       1.133000       1.413000
  1 1 1       5  -26   13 o    2.741000      0.6859000       2.779000 0.9912000       2.702000      0.9484000      0.7709000E-01   1.372000
  1 1 1       5  -26   14 o    4.453000      0.6060000       4.892000 0.8317000       4.014000      0.8815000      0.8777000       1.212000
  1 1 1       5  -26   15 o    6.147000      0.4918000       6.365000 0.7559000       5.929000      0.6292000      0.4360000      0.9836000
  1 1 1       5  -26   16 o    3.227000      0.6751000       2.511000 1.036000       3.944000      0.8657000      -1.433000       1.350000
  1 1 1       5  -26   17 o    2.042000      0.6502000       2.025000 0.9437000       2.059000      0.8947000     -0.3392000E-01   1.300000
  1 1 1       5  -26   18 o    2.695000      0.7379000       3.252000 1.156000       2.138000      0.9174000       1.115000       1.476000
  1 1 1       5  -26   19 o    2.624000      0.7399000       2.623000 1.072000       2.626000       1.020000     -0.3097000E-02   1.480000
  1 1 1       5  -26   20 o    2.106000       1.004000       2.106000 1.004000                  ?              ?              ?              ?
  1 1 1       5  -25    0 o    3.159000      0.7259000       3.392000 1.048000       2.925000       1.005000      0.4674000       1.452000
  1 1 1       5  -25    1 o    3.055000      0.7527000       2.982000 1.066000       3.127000       1.063000     -0.1448000       1.505000
  1 1 1       5  -25    2 o    2.297000      0.6909000       2.119000 0.9399000       2.474000       1.013000     -0.3545000       1.382000
  1 1 1       5  -25    3 f    2.037000      0.6495000       2.090000 0.9358000       1.984000      0.9009000      0.1060000       1.299000
  1 1 1       5  -25    4 o    2.162000      0.6965000       2.408000 1.045000       1.915000      0.9213000      0.4931000       1.393000
  1 1 1       5  -25    5 o    2.851000      0.7439000       2.608000 1.045000       3.093000       1.059000     -0.4841000       1.488000
  1 1 1       5  -25    6 o    5.322000       1.182000                  ?       ?   5.322000       1.182000                  ?              ?
  1 1 1       5  -25    7 o    3.481000      0.7878000       4.495000 1.150000       2.467000       1.077000       2.028000       1.576000
  1 1 1       5  -25    8 o    2.257000      0.6688000       2.815000 1.058000       1.699000      0.8185000       1.116000       1.338000
  1 1 1       5  -25    9 o    2.292000      0.6605000       2.545000 0.9644000       2.040000      0.9026000      0.5048000       1.321000
  1 1 1       5  -25   10 o    3.133000      0.6772000       3.374000 0.9401000       2.892000      0.9750000      0.4822000       1.354000
  1 1 1       5  -25   11 o    3.992000      0.6401000       3.109000 1.021000       4.876000      0.7729000      -1.767000       1.280000
  1 1 1       5  -25   12 f    2.476000      0.6659000       2.271000 0.9377000       2.682000      0.9456000     -0.4112000       1.332000
  1 1 1       5  -25   13 o    3.476000      0.6332000       3.172000 0.9146000       3.779000      0.8760000     -0.6076000       1.266000
  1 1 1       5  -25   14 o    2.654000      0.6085000       1.778000 0.8124000       3.529000      0.9062000      -1.751000       1.217000
  1 1 1       5  -25   15 o    4.781000      0.5491000       5.574000 0.7482000       3.987000      0.8038000       1.587000       1.098000
  1 1 1       5  -25   16 o    2.102000      0.6461000       2.416000 1.015000       1.787000      0.7995000      0.6283000       1.292000
  1 1 1       5  -25   17 o    2.699000      0.7353000       2.732000 1.124000       2.667000      0.9484000      0.6521000E-01   1.471000
  1 1 1       5  -25   18 o    4.951000      0.6518000       5.326000 1.065000       4.577000      0.7515000      0.7489000       1.304000
  1 1 1       5  -25   19 o    2.755000      0.6806000       2.192000 0.9958000       3.319000      0.9282000      -1.127000       1.361000
  1 1 1       5  -25   20 o    3.490000      0.7014000       2.736000 1.117000       4.245000      0.8484000      -1.509000       1.403000
  1 1 1       5  -25   21 o    3.490000      0.7794000       3.174000 1.202000       3.807000      0.9927000     -0.6333000       1.559000
  1 1 1       5  -24    1 o    2.997000      0.9226000       3.727000 1.491000       2.267000       1.088000       1.460000       1.845000
  1 1 1       5  -24    2 o    3.844000       1.044000       4.102000 1.531000       3.587000       1.420000      0.5148000       2.089000
  1 1 1       5  -24    3 o    3.023000      0.9176000       3.156000 1.341000       2.890000       1.253000      0.2659000       1.835000
  1 1 1       5  -24    4 o    3.375000       1.401000       3.375000 1.401000                  ?              ?              ?              ?
  1 1 1       5  -24    5 o    1.968000      0.6479000       2.187000 0.9846000       1.749000      0.8425000      0.4380000       1.296000
  1 1 1       5  -24    6 o    2.779000       1.099000                  ?       ?   2.779000       1.099000                  ?              ?
  1 1 1       5  -24    7 o    2.203000      0.6815000       1.839000 0.8691000       2.566000       1.050000     -0.7276000       1.363000
  1 1 1       5  -24    8 o    2.992000      0.7146000       3.341000 1.018000       2.643000       1.003000      0.6977000       1.429000
  1 1 1       5  -24    9 o    2.207000      0.6201000       2.446000 0.9033000       1.967000      0.8497000      0.4794000       1.240000
  1 1 1       5  -24   10 o    2.725000      0.6525000       2.423000 0.9028000       3.028000      0.9423000     -0.6058000       1.305000
  1 1 1       5  -24   11 o    6.192000      0.3846000       5.945000 0.5615000       6.439000      0.5258000     -0.4941000      0.7693000
  1 1 1       5  -24   12 o    4.938000      0.4243000       4.922000 0.6401000       4.955000      0.5573000     -0.3300000E-01  0.8487000
  1 1 1       5  -24   13 o    5.744000      0.3873000       5.692000 0.5891000       5.797000      0.5029000     -0.1049000      0.7746000
  1 1 1       5  -24   14 o    3.506000      0.5953000       3.291000 0.8914000       3.722000      0.7891000     -0.4309000       1.191000
  1 1 1       5  -24   15 o    3.493000      0.6173000       3.573000 0.9160000       3.413000      0.8279000      0.1596000       1.235000
  1 1 1       5  -24   16 o    3.280000      0.6252000       2.781000 1.009000       3.780000      0.7380000     -0.9992000       1.250000
  1 1 1       5  -24   17 o    5.395000      0.5314000       4.614000 0.9272000       6.176000      0.5196000      -1.562000       1.063000
  1 1 1       5  -24   18 o    4.767000      0.5955000       3.967000 1.050000       5.568000      0.5620000      -1.601000       1.191000
  1 1 1       5  -24   19 o    3.433000      0.6042000       4.767000 0.8586000       2.099000      0.8503000       2.668000       1.208000
  1 1 1       5  -24   20 o    2.496000      0.6706000       2.459000 0.9976000       2.534000      0.8964000     -0.7429000E-01   1.341000
  1 1 1       5  -24   21 o    4.103000      0.6647000       3.592000 1.086000       4.614000      0.7671000      -1.022000       1.329000
  1 1 1       5  -24   22 o    2.938000      0.7273000       2.638000 1.063000       3.238000      0.9926000     -0.5998000       1.455000
  1 1 1       5  -24   23 o    2.882000      0.7215000       3.442000 1.093000       2.322000      0.9424000       1.120000       1.443000
  1 1 1       5  -23    0 o    7.674000      0.4430000       7.707000 0.6697000       7.642000      0.5802000      0.6483000E-01  0.8861000
  1 1 1       5  -23    1 o    2.814000      0.7565000       2.886000 1.094000       2.741000       1.045000      0.1455000       1.513000
  1 1 1       5  -23    2 o    2.116000      0.6626000       1.981000 0.9207000       2.250000      0.9532000     -0.2685000       1.325000
  1 1 1       5  -23    3 o    2.304000      0.7050000       2.142000 0.9909000       2.466000       1.003000     -0.3244000       1.410000
  1 1 1       5  -23    4 o    2.611000      0.8380000       2.553000 1.136000       2.669000       1.232000     -0.1160000       1.676000
  1 1 1       5  -23    5 o    2.786000      0.7878000       2.591000 1.095000       2.981000       1.133000     -0.3906000       1.576000
  1 1 1       5  -23    6 o    3.283000      0.8046000       3.479000 1.119000       3.087000       1.156000      0.3923000       1.609000
  1 1 1       5  -23    7 o    4.514000      0.6897000       4.724000 0.8948000       4.305000       1.050000      0.4189000       1.379000
  1 1 1       5  -23    8 o    7.091000      0.4557000       7.759000 0.6030000       6.423000      0.6834000       1.336000      0.9115000
  1 1 1       5  -23    9 o    2.594000      0.6572000       2.292000 0.8905000       2.896000      0.9668000     -0.6039000       1.314000
  1 1 1       5  -23   10 f    3.307000      0.6263000       2.678000 0.8961000       3.936000      0.8754000      -1.258000       1.253000
  1 1 1       5  -23   11 o    6.103000      0.3714000       6.097000 0.5047000       6.110000      0.5451000     -0.1301000E-01  0.7429000
  1 1 1       5  -23   12 o    2.326000      0.5774000       2.865000 0.8642000       1.786000      0.7659000       1.079000       1.155000
  1 1 1       5  -23   13 o    7.273000      0.3145000       7.116000 0.4649000       7.429000      0.4238000     -0.3126000      0.6291000
  1 1 1       5  -23   14 o    8.119000      0.2996000       7.760000 0.4526000       8.479000      0.3928000     -0.7187000      0.5992000
  1 1 1       5  -23   15 o    6.177000      0.3460000       5.932000 0.5541000       6.422000      0.4144000     -0.4907000      0.6919000
  1 1 1       5  -23   16 o    5.057000      0.4103000       4.805000 0.6681000       5.310000      0.4765000     -0.5048000      0.8206000
  1 1 1       5  -23   17 o    7.607000      0.3614000       7.616000 0.5608000       7.598000      0.4560000      0.1798000E-01  0.7228000
  1 1 1       5  -23   18 o    2.982000      0.6420000       2.762000 1.016000       3.202000      0.7856000     -0.4407000       1.284000
  1 1 1       5  -23   19 o    2.132000      0.5974000       1.911000 0.8612000       2.353000      0.8283000     -0.4417000       1.195000
  1 1 1       5  -23   20 o    2.917000      0.6646000       3.236000 1.012000       2.598000      0.8614000      0.6384000       1.329000
  1 1 1       5  -23   21 o    2.323000      0.6656000       2.874000 1.061000       1.772000      0.8036000       1.102000       1.331000
  1 1 1       5  -23   22 o    4.712000      0.6078000       4.034000 1.043000       5.389000      0.6240000      -1.354000       1.216000
  1 1 1       5  -23   23 o    3.312000      0.6749000       3.039000 1.005000       3.585000      0.9009000     -0.5460000       1.350000
  1 1 1       5  -23   24 o    3.614000      0.6173000       2.747000 0.9696000       4.481000      0.7644000      -1.733000       1.235000
  1 1 1       5  -22    0 o    7.235000      0.4347000       7.719000 0.6200000       6.751000      0.6094000      0.9680000      0.8693000
  1 1 1       5  -22    1 o    2.947000      0.7487000       2.671000 1.073000       3.223000       1.044000     -0.5527000       1.497000
  1 1 1       5  -22    2 f    2.217000      0.6681000       2.504000 1.024000       1.929000      0.8589000      0.5758000       1.336000
  1 1 1       5  -22    3 o    3.084000      0.7510000       2.986000 1.147000       3.182000      0.9694000     -0.1959000       1.502000
  1 1 1       5  -22    4 o    5.535000      0.6989000       6.576000 0.9827000       4.494000      0.9941000       2.082000       1.398000
  1 1 1       5  -22    5 o    4.130000      0.7994000       5.042000 1.097000       3.218000       1.163000       1.824000       1.599000
  1 1 1       5  -22    6 o    2.446000      0.7157000       2.875000 1.082000       2.017000      0.9371000      0.8581000       1.431000
  1 1 1       5  -22    7 o    5.565000      0.6081000       5.327000 0.8522000       5.804000      0.8676000     -0.4771000       1.216000
  1 1 1       5  -22    8 o    10.17000      0.3830000       10.59000 0.5227000       9.746000      0.5599000      0.8472000      0.7659000
  1 1 1       5  -22    9 o    4.948000      0.4721000       4.564000 0.6544000       5.333000      0.6805000     -0.7682000      0.9441000
  1 1 1       5  -22   10 o    2.393000      0.6366000       2.192000 0.8485000       2.594000      0.9493000     -0.4017000       1.273000
  1 1 1       5  -22   11 o    4.328000      0.4738000       3.728000 0.7358000       4.927000      0.5972000      -1.199000      0.9477000
  1 1 1       5  -22   12 o    8.958000      0.2715000       9.067000 0.4055000       8.850000      0.3610000      0.2167000      0.5429000
  1 1 1       5  -22   13 o    7.081000      0.2898000       7.086000 0.4329000       7.076000      0.3853000      0.1018000E-01  0.5795000
  1 1 1       5  -22   14 o    4.058000      0.4228000       4.158000 0.5873000       3.958000      0.6084000      0.1992000      0.8457000
  1 1 1       5  -22   15 o    9.535000      0.2885000       9.580000 0.4486000       9.491000      0.3629000      0.8826000E-01  0.5770000
  1 1 1       5  -22   16 o    3.893000      0.4774000       4.003000 0.7552000       3.782000      0.5841000      0.2208000      0.9547000
  1 1 1       5  -22   17 o    2.062000      0.5887000       2.163000 0.8846000       1.960000      0.7770000      0.2023000       1.177000
  1 1 1       5  -22   18 o    3.434000      0.5288000       2.432000 0.9167000       4.436000      0.5274000      -2.004000       1.058000
  1 1 1       5  -22   19 o    4.940000      0.4106000       5.104000 0.6486000       4.776000      0.5037000      0.3272000      0.8212000
  1 1 1       5  -22   20 o    1.870000      0.5796000       1.964000 0.8657000       1.776000      0.7709000      0.1878000       1.159000
  1 1 1       5  -22   21 o    5.160000      0.4950000       4.538000 0.8656000       5.783000      0.4802000      -1.245000      0.9899000
  1 1 1       5  -22   22 o    5.305000      0.4603000       5.193000 0.7083000       5.417000      0.5880000     -0.2245000      0.9205000
  1 1 1       5  -22   23 o    2.208000      0.6129000       1.918000 0.8514000       2.498000      0.8818000     -0.5800000       1.226000
  1 1 1       5  -22   24 o    2.538000      0.6238000       2.445000 0.9291000       2.630000      0.8327000     -0.1849000       1.248000
  1 1 1       5  -22   25 o    3.001000      0.6543000       3.323000 0.9208000       2.679000      0.9297000      0.6439000       1.309000
  1 1 1       5  -21    0 o    4.063000      0.5827000       4.204000 0.7953000       3.921000      0.8519000      0.2825000       1.165000
  1 1 1       5  -21    1 o    8.996000      0.3653000       8.529000 0.5387000       9.463000      0.4935000     -0.9343000      0.7306000
  1 1 1       5  -21    2 o    7.915000      0.3827000       7.712000 0.5452000       8.119000      0.5372000     -0.4063000      0.7654000
  1 1 1       5  -21    3 o    7.465000      0.8072000       8.978000 0.5628000       5.952000       1.513000       3.025000       1.614000
  1 1 1       5  -21    4 o    10.57000      0.6136000       10.57000 0.6136000                  ?              ?              ?              ?
  1 1 1       5  -21    5 o    6.700000      0.7664000       6.974000 1.277000       6.427000      0.8485000      0.5473000       1.533000
  1 1 1       5  -21    6 o    10.47000      0.4144000       9.922000 0.5308000       11.01000      0.6365000      -1.092000      0.8288000
  1 1 1       5  -21    7 o    2.776000      0.8862000       3.338000 1.468000       2.214000      0.9929000       1.124000       1.772000
  1 1 1       5  -21    8 o    2.822000      0.7167000       3.350000 1.029000       2.294000      0.9973000       1.056000       1.433000
  1 1 1       5  -21    9 o    5.196000      0.4241000       5.416000 0.5265000       4.976000      0.6649000      0.4400000      0.8481000
  1 1 1       5  -21   10 o    5.435000      0.3974000       5.206000 0.5305000       5.665000      0.5919000     -0.4595000      0.7948000
  1 1 1       5  -21   11 o    3.494000      0.5154000       2.635000 0.8009000       4.353000      0.6488000      -1.718000       1.031000
  1 1 1       5  -21   12 o    2.566000      0.5368000       2.779000 0.7721000       2.354000      0.7461000      0.4247000       1.074000
  1 1 1       5  -21   13 o    2.187000      0.5358000       2.538000 0.7871000       1.837000      0.7271000      0.7007000       1.072000
  1 1 1       5  -21   14 o    4.230000      0.3856000       4.467000 0.5395000       3.993000      0.5511000      0.4739000      0.7712000
  1 1 1       5  -21   15 o    1.996000      0.5291000       1.991000 0.7785000       2.001000      0.7166000     -0.9593000E-02   1.058000
  1 1 1       5  -21   16 o    4.055000      0.4387000       3.979000 0.7163000       4.130000      0.5068000     -0.1508000      0.8775000
  1 1 1       5  -21   17 o    3.275000      0.5102000       2.507000 0.8655000       4.044000      0.5404000      -1.537000       1.020000
  1 1 1       5  -21   18 o    7.994000      0.3153000       7.549000 0.5284000       8.438000      0.3441000     -0.8889000      0.6305000
  1 1 1       5  -21   19 o    3.506000      0.5174000       3.554000 0.7975000       3.458000      0.6595000      0.9576000E-01   1.035000
  1 1 1       5  -21   20 o    3.919000      0.5311000       2.970000 0.9319000       4.868000      0.5095000      -1.897000       1.062000
  1 1 1       5  -21   21 o    5.602000      0.3946000       5.662000 0.6047000       5.542000      0.5073000      0.1205000      0.7893000
  1 1 1       5  -21   22 o    4.801000      0.4307000       4.395000 0.7164000       5.208000      0.4785000     -0.8127000      0.8615000
  1 1 1       5  -21   23 o    2.181000      0.5473000       1.448000 0.6950000       2.914000      0.8456000      -1.466000       1.095000
  1 1 1       5  -21   24 o    3.058000      0.5581000       2.228000 0.8822000       3.889000      0.6839000      -1.661000       1.116000
  1 1 1       5  -21   25 o    3.328000      0.5937000       2.952000 0.9051000       3.703000      0.7684000     -0.7514000       1.187000
  1 1 1       5  -21   26 o    2.488000      0.6317000       2.385000 0.8927000       2.592000      0.8939000     -0.2061000       1.263000
  1 1 1       5  -21   27 o    2.628000      0.7064000       2.682000 1.068000       2.574000      0.9245000      0.1089000       1.413000
  1 1 1       5  -20    0 o    8.855000      0.3185000       8.551000 0.4523000       9.160000      0.4487000     -0.6092000      0.6371000
  1 1 1       5  -20    1 o    7.633000      0.3393000       7.995000 0.4868000       7.272000      0.4727000      0.7223000      0.6786000
  1 1 1       5  -20    2 o    2.480000      0.6474000       2.366000 0.8958000       2.594000      0.9349000     -0.2277000       1.295000
  1 1 1       5  -20    3 o    7.196000      0.4168000       6.229000 0.6755000       8.164000      0.4886000      -1.934000      0.8337000
  1 1 1       5  -20    4 o    10.13000      0.4257000       9.628000 0.6484000       10.63000      0.5518000      -1.005000      0.8514000
  1 1 1       5  -20    5 o    2.963000       1.225000       2.963000 1.225000                  ?              ?              ?              ?
  1 1 1       5  -20    6 o    8.017000      0.4200000       7.450000 0.6174000       8.584000      0.5696000      -1.134000      0.8400000
  1 1 1       5  -20    7 o    3.160000       1.128000                  ?       ?   3.160000       1.128000                  ?              ?
  1 1 1       5  -20    8 o    2.788000      0.7057000       3.152000 0.9863000       2.423000       1.010000      0.7292000       1.411000
  1 1 1       5  -20    9 o    8.922000      0.3033000       9.260000 0.4113000       8.583000      0.4458000      0.6769000      0.6066000
  1 1 1       5  -20   10 o    6.678000      0.3231000       6.443000 0.4490000       6.912000      0.4648000     -0.4694000      0.6462000
  1 1 1       5  -20   11 o    10.25000      0.2767000       10.10000 0.3890000       10.40000      0.3935000     -0.3023000      0.5533000
  1 1 1       5  -20   12 o    5.587000      0.2873000       5.723000 0.4021000       5.451000      0.4105000      0.2721000      0.5746000
  1 1 1       5  -20   13 o    7.689000      0.2532000       7.426000 0.3730000       7.952000      0.3426000     -0.5260000      0.5065000
  1 1 1       5  -20   14 o    7.855000      0.2662000       8.107000 0.3967000       7.604000      0.3551000      0.5034000      0.5324000
  1 1 1       5  -20   15 o    5.843000      0.2855000       5.712000 0.4572000       5.973000      0.3420000     -0.2603000      0.5710000
  1 1 1       5  -20   16 o    6.410000      0.2757000       6.412000 0.4312000       6.409000      0.3437000      0.3487000E-02  0.5514000
  1 1 1       5  -20   17 o    5.310000      0.3255000       5.160000 0.5201000       5.461000      0.3917000     -0.3002000      0.6511000
  1 1 1       5  -20   18 o    3.356000      0.4951000       2.950000 0.8542000       3.763000      0.5009000     -0.8135000      0.9902000
  1 1 1       5  -20   19 o    2.424000      0.5177000       1.817000 0.8017000       3.031000      0.6553000      -1.214000       1.035000
  1 1 1       5  -20   20 o    2.401000      0.5228000       1.713000 0.7716000       3.089000      0.7056000      -1.375000       1.046000
  1 1 1       5  -20   21 o    4.318000      0.4139000       3.918000 0.6674000       4.719000      0.4896000     -0.8003000      0.8277000
  1 1 1       5  -20   22 o    3.105000      0.5587000       3.572000 0.8044000       2.639000      0.7757000      0.9326000       1.117000
  1 1 1       5  -20   23 o    6.099000      0.3438000       5.707000 0.5440000       6.491000      0.4206000     -0.7840000      0.6876000
  1 1 1       5  -20   24 o    2.277000      0.5797000       2.000000 0.8356000       2.554000      0.8037000     -0.5537000       1.159000
  1 1 1       5  -20   25 o    4.464000      0.4508000       4.441000 0.6647000       4.487000      0.6092000     -0.4595000E-01  0.9016000
  1 1 1       5  -20   26 o    2.150000      0.5909000       1.938000 0.8129000       2.363000      0.8578000     -0.4252000       1.182000
  1 1 1       5  -20   27 f    1.857000      0.5544000       2.123000 0.8408000       1.592000      0.7230000      0.5309000       1.109000
  1 1 1       5  -20   28 o    1.697000      0.5417000       1.675000 0.7655000       1.719000      0.7666000     -0.4453000E-01   1.083000
  1 1 1       5  -19    0 o    13.82000      0.3136000       13.57000 0.4138000       14.07000      0.4714000     -0.5001000      0.6272000
  1 1 1       5  -19    1 f    5.393000      0.3833000       5.956000 0.4987000       4.829000      0.5823000       1.127000      0.7667000
  1 1 1       5  -19    2 o    4.294000      0.5216000       4.099000 0.7923000       4.489000      0.6787000     -0.3900000       1.043000
  1 1 1       5  -19    3 o    3.098000      0.6432000       2.902000 0.9563000       3.294000      0.8603000     -0.3924000       1.286000
  1 1 1       5  -19    4 o    6.327000      0.5081000       5.665000 0.8110000       6.990000      0.6125000      -1.325000       1.016000
  1 1 1       5  -19    5 o    5.000000       1.067000       5.000000 1.067000                  ?              ?              ?              ?
  1 1 1       5  -19    6 o    7.669000      0.4070000       7.747000 0.5622000       7.590000      0.5886000      0.1579000      0.8139000
  1 1 1       5  -19    7 o    2.167000      0.6607000       2.419000 0.9690000       1.915000      0.8983000      0.5041000       1.321000
  1 1 1       5  -19    8 o    5.765000      0.5344000       5.616000 0.6876000       5.914000      0.8181000     -0.2974000       1.069000
  1 1 1       5  -19    9 f    4.055000      0.4813000       3.582000 0.6953000       4.529000      0.6658000     -0.9479000      0.9626000
  1 1 1       5  -19   10 o    8.907000      0.2959000       8.400000 0.3941000       9.415000      0.4416000      -1.015000      0.5919000
  1 1 1       5  -19   11 o    2.609000      0.5120000       3.286000 0.6848000       1.933000      0.7614000       1.353000       1.024000
  1 1 1       5  -19   12 o    7.177000      0.2518000       6.892000 0.3698000       7.462000      0.3418000     -0.5701000      0.5035000
  1 1 1       5  -19   13 o    3.931000      0.3839000       4.542000 0.4892000       3.320000      0.5916000       1.222000      0.7677000
  1 1 1       5  -19   14 o    2.144000      0.5049000       2.099000 0.7442000       2.189000      0.6824000     -0.9010000E-01   1.010000
  1 1 1       5  -19   15 o    6.959000      0.2578000       7.136000 0.4059000       6.782000      0.3180000      0.3541000      0.5156000
  1 1 1       5  -19   16 o    2.735000      0.4958000       3.251000 0.7333000       2.219000      0.6676000       1.032000      0.9917000
  1 1 1       5  -19   17 o    4.977000      0.3338000       5.121000 0.5428000       4.832000      0.3886000      0.2890000      0.6676000
  1 1 1       5  -19   18 o    3.022000      0.5207000       2.843000 0.8544000       3.201000      0.5953000     -0.3574000       1.041000
  1 1 1       5  -19   19 o    4.282000      0.4033000       4.758000 0.6057000       3.805000      0.5328000      0.9533000      0.8066000
  1 1 1       5  -19   20 o    3.039000      0.5051000       2.965000 0.7846000       3.113000      0.6364000     -0.1471000       1.010000
  1 1 1       5  -19   21 o    2.569000      0.5135000       3.391000 0.7453000       1.747000      0.7067000       1.643000       1.027000
  1 1 1       5  -19   22 o    1.583000      0.4937000       1.571000 0.7128000       1.595000      0.6833000     -0.2485000E-01  0.9874000
  1 1 1       5  -19   23 o    5.898000      0.3131000       5.803000 0.4822000       5.993000      0.3996000     -0.1897000      0.6262000
  1 1 1       5  -19   24 o    3.856000      0.4667000       3.378000 0.7562000       4.333000      0.5470000     -0.9551000      0.9333000
  1 1 1       5  -19   25 o    2.268000      0.5249000       3.003000 0.7993000       1.533000      0.6808000       1.471000       1.050000
  1 1 1       5  -19   26 o    4.153000      0.4431000       4.005000 0.6760000       4.302000      0.5730000     -0.2972000      0.8862000
  1 1 1       5  -19   27 o    2.253000      0.5861000       2.454000 0.8454000       2.052000      0.8121000      0.4012000       1.172000
  1 1 1       5  -19   28 o    2.683000      0.6152000       2.926000 0.8651000       2.440000      0.8750000      0.4857000       1.230000
  1 1 1       5  -19   29 o    2.119000      0.5797000       2.534000 0.8702000       1.704000      0.7660000      0.8303000       1.159000
  1 1 1       5  -18    0 o    7.952000      0.2963000       7.888000 0.3999000       8.016000      0.4373000     -0.1278000      0.5925000
  1 1 1       5  -18    1 o    2.048000      0.5740000       2.200000 0.8359000       1.896000      0.7869000      0.3039000       1.148000
  1 1 1       5  -18    2 o    7.649000      0.2992000       7.684000 0.4371000       7.615000      0.4087000      0.6915000E-01  0.5984000
  1 1 1       5  -18    3 o    8.576000      0.3096000       8.490000 0.4521000       8.661000      0.4231000     -0.1715000      0.6192000
  1 1 1       5  -18    4 o    5.229000      0.5648000       5.158000 0.8787000       5.300000      0.7097000     -0.1420000       1.130000
  1 1 1       5  -18    5 o    3.520000      0.7876000       3.320000 1.178000       3.721000       1.046000     -0.4001000       1.575000
  1 1 1       5  -18    6 o    4.334000      0.8556000       5.624000 1.365000       3.044000       1.032000       2.580000       1.711000
  1 1 1       5  -18    7 o    5.133000       1.167000       6.386000 1.937000       3.881000       1.303000       2.505000       2.335000
  1 1 1       5  -18    8 o    3.861000       1.194000       5.017000 2.052000       2.705000       1.222000       2.312000       2.388000
  1 1 1       5  -18    9 o    3.655000       1.109000       3.747000 1.729000       3.563000       1.388000      0.1833000       2.217000
  1 1 1       5  -18   10 o    4.923000       1.271000       5.682000 2.076000       4.164000       1.468000       1.517000       2.543000
  1 1 1       5  -18   11 o    3.625000       1.157000       4.097000 1.832000       3.154000       1.413000      0.9420000       2.314000
  1 1 1       5  -18   12 o    5.055000       1.294000       5.635000 2.077000       4.475000       1.545000       1.160000       2.588000
  1 1 1       5  -18   13 o    5.193000       1.239000       5.747000 1.877000       4.638000       1.618000       1.109000       2.478000
  1 1 1       5  -18   14 o    4.283000      0.9118000       2.774000 1.215000       5.792000       1.360000      -3.018000       1.824000
  1 1 1       5  -18   15 o    3.560000      0.7932000       2.303000 1.087000       4.817000       1.156000      -2.514000       1.586000
  1 1 1       5  -18   16 o    4.513000      0.7917000       3.121000 1.358000       5.904000      0.8136000      -2.783000       1.583000
  1 1 1       5  -18   17 o    4.110000      0.8597000       3.504000 1.409000       4.716000      0.9849000      -1.212000       1.719000
  1 1 1       5  -18   18 o    2.319000      0.6864000       1.859000 0.9019000       2.780000       1.035000     -0.9217000       1.373000
  1 1 1       5  -18   19 o    2.553000      0.6542000       3.146000 1.002000       1.961000      0.8413000       1.186000       1.308000
  1 1 1       5  -18   20 o    5.909000      0.4014000       5.426000 0.6276000       6.392000      0.5006000     -0.9666000      0.8028000
  1 1 1       5  -18   21 o    3.985000      0.4819000       3.873000 0.8654000       4.096000      0.4241000     -0.2227000      0.9637000
  1 1 1       5  -18   22 o    5.753000      0.3210000       5.865000 0.5439000       5.642000      0.3412000      0.2225000      0.6420000
  1 1 1       5  -18   23 o    4.272000      0.3486000       3.927000 0.5582000       4.616000      0.4179000     -0.6892000      0.6973000
  1 1 1       5  -18   24 o    1.952000      0.4855000       1.434000 0.6536000       2.471000      0.7182000      -1.037000      0.9711000
  1 1 1       5  -18   25 o    4.149000      0.4034000       3.855000 0.6406000       4.443000      0.4906000     -0.5879000      0.8069000
  1 1 1       5  -18   26 o    3.095000      0.5188000       3.685000 0.6809000       2.505000      0.7831000       1.180000       1.038000
  1 1 1       5  -18   27 o    2.416000      0.5711000       2.079000 0.8072000       2.753000      0.8080000     -0.6746000       1.142000
  1 1 1       5  -18   28 o    2.729000      0.5952000       2.573000 0.8418000       2.885000      0.8417000     -0.3112000       1.190000
  1 1 1       5  -18   29 o    4.720000      0.4183000       4.409000 0.6386000       5.031000      0.5405000     -0.6211000      0.8366000
  1 1 1       5  -18   30 o    4.280000      0.7046000       4.447000 1.011000       4.113000      0.9814000      0.3341000       1.409000
  1 1 1       5  -17    0 o    5.833000      0.3161000       5.680000 0.4529000       5.986000      0.4413000     -0.3060000      0.6323000
  1 1 1       5  -17    1 o    4.880000      0.3889000       4.482000 0.5972000       5.279000      0.4983000     -0.7978000      0.7778000
  1 1 1       5  -17    2 o    4.073000      0.4206000       4.008000 0.6172000       4.138000      0.5717000     -0.1302000      0.8413000
  1 1 1       5  -17    3 o    4.641000      0.4383000       4.706000 0.6802000       4.577000      0.5530000      0.1299000      0.8766000
  1 1 1       5  -17    4 o    3.149000      0.6884000       3.461000 0.9525000       2.836000      0.9940000      0.6248000       1.377000
  1 1 1       5  -17    5 o    3.901000      0.6862000       3.169000 1.112000       4.634000      0.8050000      -1.465000       1.372000
  1 1 1       5  -17    6 o    1.926000      0.6161000       1.886000 0.8649000       1.966000      0.8776000     -0.7991000E-01   1.232000
  1 1 1       5  -17    7 o    3.001000      0.7363000       2.615000 0.9454000       3.386000       1.129000     -0.7713000       1.473000
  1 1 1       5  -17    8 o    3.181000      0.9091000       3.339000 1.439000       3.023000       1.111000      0.3161000       1.818000
  1 1 1       5  -17    9 o    2.366000      0.4993000       3.112000 0.6981000       1.621000      0.7141000       1.491000      0.9987000
  1 1 1       5  -17   10 o    3.918000      0.4033000       4.064000 0.5086000       3.772000      0.6260000      0.2918000      0.8066000
  1 1 1       5  -17   11 o    5.929000      0.2681000       6.027000 0.3748000       5.831000      0.3836000      0.1956000      0.5363000
  1 1 1       5  -17   12 o    6.813000      0.2386000       7.034000 0.3296000       6.591000      0.3451000      0.4423000      0.4772000
  1 1 1       5  -17   13 o    4.901000      0.2639000       4.808000 0.3917000       4.995000      0.3538000     -0.1869000      0.5278000
  1 1 1       5  -17   14 o    7.154000      0.2410000       7.038000 0.3781000       7.270000      0.2989000     -0.2323000      0.4820000
  1 1 1       5  -17   15 o    5.486000      0.2589000       5.825000 0.3927000       5.148000      0.3373000      0.6769000      0.5177000
  1 1 1       5  -17   16 o    4.634000      0.3217000       4.738000 0.5183000       4.529000      0.3813000      0.2082000      0.6435000
  1 1 1       5  -17   17 o    8.128000      0.2494000       8.023000 0.4054000       8.232000      0.2905000     -0.2095000      0.4988000
  1 1 1       5  -17   18 o    6.439000      0.2446000       6.388000 0.3843000       6.490000      0.3028000     -0.1022000      0.4893000
  1 1 1       5  -17   19 o    3.157000      0.4209000       2.816000 0.7043000       3.499000      0.4613000     -0.6829000      0.8419000
  1 1 1       5  -17   20 o    10.60000      0.2150000       10.63000 0.3253000       10.57000      0.2811000      0.5906000E-01  0.4299000
  1 1 1       5  -17   21 o    6.397000      0.2461000       6.547000 0.3836000       6.248000      0.3083000      0.2985000      0.4921000
  1 1 1       5  -17   22 f    4.107000      0.3281000       3.826000 0.5316000       4.388000      0.3847000     -0.5620000      0.6561000
  1 1 1       5  -17   23 o    2.350000      0.5339000       2.139000 0.7451000       2.560000      0.7648000     -0.4217000       1.068000
  1 1 1       5  -17   24 o    3.313000      0.4984000       3.316000 0.6778000       3.310000      0.7309000      0.5845000E-02  0.9967000
  1 1 1       5  -17   25 o    2.417000      0.5855000       2.325000 0.8160000       2.509000      0.8398000     -0.1836000       1.171000
  1 1 1       5  -17   26 o    4.178000      0.4792000       3.903000 0.6533000       4.453000      0.7013000     -0.5494000      0.9585000
  1 1 1       5  -17   27 o    2.020000      0.5599000       2.138000 0.8235000       1.902000      0.7588000      0.2360000       1.120000
  1 1 1       5  -17   28 o    2.376000      0.5724000       2.340000 0.8089000       2.411000      0.8100000     -0.7137000E-01   1.145000
  1 1 1       5  -17   29 o    3.893000      0.5007000       4.385000 0.5979000       3.400000      0.8032000      0.9858000       1.001000
  1 1 1       5  -17   30 o    2.933000      0.5579000       3.661000 0.7532000       2.206000      0.8233000       1.455000       1.116000
  1 1 1       5  -16    0 o    7.230000      0.2587000       7.421000 0.3555000       7.039000      0.3760000      0.3817000      0.5175000
  1 1 1       5  -16    1 o    8.502000      0.2715000       8.826000 0.3811000       8.177000      0.3867000      0.6485000      0.5429000
  1 1 1       5  -16    2 o    2.548000      0.5697000       2.303000 0.8267000       2.794000      0.7840000     -0.4914000       1.139000
  1 1 1       5  -16    3 o    9.544000      0.2902000       9.225000 0.4118000       9.863000      0.4091000     -0.6383000      0.5804000
  1 1 1       5  -16    4 o    6.346000      0.6998000       8.107000 0.9571000       4.584000       1.021000       3.523000       1.400000
  1 1 1       5  -16    5 o    2.706000      0.8133000       3.000000 1.294000       2.412000      0.9850000      0.5881000       1.627000
  1 1 1       5  -16    7 o    5.446000      0.6771000       6.263000 0.5698000       4.629000       1.228000       1.634000       1.354000
  1 1 1       5  -16    8 o    4.475000       1.220000                  ?       ?   4.475000       1.220000                  ?              ?
  1 1 1       5  -16   10 o    5.992000      0.2991000       5.880000 0.3879000       6.104000      0.4553000     -0.2247000      0.5982000
  1 1 1       5  -16   11 o    5.631000      0.2583000       5.259000 0.3618000       6.002000      0.3688000     -0.7428000      0.5166000
  1 1 1       5  -16   12 f    6.485000      0.2309000       6.746000 0.3266000       6.224000      0.3264000      0.5227000      0.4617000
  1 1 1       5  -16   13 o    4.416000      0.2725000       4.486000 0.3855000       4.345000      0.3852000      0.1407000      0.5450000
  1 1 1       5  -16   14 o    5.327000      0.2545000       5.314000 0.3887000       5.340000      0.3286000     -0.2564000E-01  0.5090000
  1 1 1       5  -16   15 o    7.095000      0.2420000       7.180000 0.3717000       7.010000      0.3099000      0.1704000      0.4840000
  1 1 1       5  -16   16 o    13.04000      0.2939000       13.14000 0.4293000       12.94000      0.4015000      0.1985000      0.5878000
  1 1 1       5  -16   17 o    6.044000      0.2927000       6.178000 0.4658000       5.911000      0.3544000      0.2671000      0.5853000
  1 1 1       5  -16   18 o    5.831000      0.3134000       5.495000 0.4913000       6.168000      0.3891000     -0.6722000      0.6267000
  1 1 1       5  -16   19 o    3.749000      0.4873000       3.624000 0.8158000       3.874000      0.5333000     -0.2496000      0.9746000
  1 1 1       5  -16   20 o    8.151000      0.3004000       8.073000 0.4709000       8.229000      0.3730000     -0.1560000      0.6008000
  1 1 1       5  -16   21 o    8.014000      0.3234000       8.205000 0.5081000       7.823000      0.4001000      0.3819000      0.6467000
  1 1 1       5  -16   23 o    3.744000      0.3220000       3.936000 0.4689000       3.551000      0.4415000      0.3850000      0.6440000
  1 1 1       5  -16   24 o    4.853000      0.2764000       5.184000 0.3940000       4.522000      0.3879000      0.6618000      0.5529000
  1 1 1       5  -16   25 o    2.413000      0.4531000       2.989000 0.5912000       1.838000      0.6868000       1.151000      0.9063000
  1 1 1       5  -16   26 f    1.604000      0.4708000       1.815000 0.7022000       1.393000      0.6275000      0.4220000      0.9417000
  1 1 1       5  -16   27 o    3.422000      0.4626000       3.695000 0.6263000       3.148000      0.6809000      0.5469000      0.9251000
  1 1 1       5  -16   28 o    3.083000      0.6294000       3.032000 0.8413000       3.134000      0.9364000     -0.1024000       1.259000
  1 1 1       5  -16   29 o    2.521000      0.6537000       2.512000 0.8795000       2.529000      0.9674000     -0.1651000E-01   1.307000
  1 1 1       5  -16   30 o    4.487000      0.5477000       5.031000 0.5921000       3.944000      0.9217000       1.087000       1.095000
  1 1 1       5  -16   31 o    3.837000      0.4983000       3.843000 0.6936000       3.831000      0.7158000      0.1177000E-01  0.9967000
  1 1 1       5  -15    1 o    4.394000       1.048000       2.623000 1.142000       6.164000       1.758000      -3.541000       2.097000
  1 1 1       5  -15    2 o    6.265000       1.049000       7.681000 0.9680000       4.849000       1.861000       2.832000       2.098000
  1 1 1       5  -15    3 o    3.399000      0.4988000       2.390000 0.8570000       4.409000      0.5108000      -2.019000      0.9976000
  1 1 1       5  -15    4 o    3.706000      0.6464000       3.361000 1.044000       4.051000      0.7617000     -0.6893000       1.293000
  1 1 1       5  -15    5 o    2.929000      0.6935000       2.732000 1.036000       3.126000      0.9220000     -0.3937000       1.387000
  1 1 1       5  -15    6 o    5.802000      0.7565000       5.802000 0.7565000                  ?              ?              ?              ?
  1 1 1       5  -15    7 o    8.878000      0.3323000       8.631000 0.4463000       9.125000      0.4925000     -0.4946000      0.6646000
  1 1 1       5  -15    8 o    2.735000      0.6128000       3.222000 0.7605000       2.249000      0.9611000      0.9730000       1.226000
  1 1 1       5  -15    9 o    4.577000      0.3478000       4.550000 0.4741000       4.604000      0.5089000     -0.5342000E-01  0.6955000
  1 1 1       5  -15   10 o    1.636000      0.4762000       1.345000 0.5989000       1.927000      0.7406000     -0.5817000      0.9525000
  1 1 1       5  -15   11 o    5.600000      0.2279000       5.763000 0.3177000       5.436000      0.3268000      0.3264000      0.4558000
  1 1 1       5  -15   12 o    5.700000      0.2273000       5.890000 0.3245000       5.509000      0.3185000      0.3809000      0.4547000
  1 1 1       5  -15   13 o    2.147000      0.4181000       1.874000 0.6527000       2.419000      0.5228000     -0.5447000      0.8363000
  1 1 1       5  -15   14 o    4.597000      0.2662000       4.346000 0.4412000       4.847000      0.2979000     -0.5013000      0.5324000
  1 1 1       5  -15   15 o    7.141000      0.2200000       7.414000 0.3428000       6.868000      0.2758000      0.5455000      0.4400000
  1 1 1       5  -15   16 o    9.517000      0.2060000       9.528000 0.3187000       9.505000      0.2611000      0.2336000E-01  0.4121000
  1 1 1       5  -15   17 o    6.605000      0.2143000       6.264000 0.3363000       6.946000      0.2658000     -0.6818000      0.4286000
  1 1 1       5  -15   18 o    7.606000      0.2013000       7.780000 0.3096000       7.433000      0.2573000      0.3469000      0.4025000
  1 1 1       5  -15   19 o    10.98000      0.1996000       10.88000 0.2908000       11.08000      0.2736000     -0.1991000      0.3992000
  1 1 1       5  -15   20 o    7.443000      0.1878000       7.132000 0.2838000       7.754000      0.2462000     -0.6224000      0.3757000
  1 1 1       5  -15   21 o    4.423000      0.2382000       4.461000 0.3452000       4.384000      0.3284000      0.7688000E-01  0.4765000
  1 1 1       5  -15   22 o    5.298000      0.2247000       5.050000 0.3395000       5.547000      0.2944000     -0.4970000      0.4493000
  1 1 1       5  -15   23 o    9.908000      0.2826000       9.652000 0.4984000       10.16000      0.2665000     -0.5115000      0.5651000
  1 1 1       5  -15   24 o    4.447000      0.5666000       4.024000 0.9931000       4.869000      0.5460000     -0.8453000       1.133000
  1 1 1       5  -15   26 o    3.074000      0.7140000       3.256000 1.135000       2.893000      0.8667000      0.3626000       1.428000
  1 1 1       5  -15   27 o    1.593000      0.4612000       1.854000 0.6996000       1.333000      0.6012000      0.5209000      0.9225000
  1 1 1       5  -15   28 o    3.299000      0.4664000       3.384000 0.6206000       3.213000      0.6963000      0.1710000      0.9328000
  1 1 1       5  -15   29 o    1.832000      0.5239000       2.056000 0.7695000       1.607000      0.7111000      0.4481000       1.048000
  1 1 1       5  -15   30 o    5.260000      0.3802000       5.188000 0.5883000       5.333000      0.4820000     -0.1448000      0.7605000
  1 1 1       5  -15   31 o    3.919000      0.5903000       4.641000 0.6688000       3.198000      0.9729000       1.443000       1.181000
  1 1 1       5  -15   32 o    2.243000      0.6492000       2.424000 0.9265000       2.062000      0.9098000      0.3620000       1.298000
  1 1 1       5  -14    0 o    4.756000      0.2644000       4.722000 0.3588000       4.789000      0.3885000     -0.6671000E-01  0.5289000
  1 1 1       5  -14    1 o    10.53000      0.2422000       10.46000 0.3205000       10.59000      0.3632000     -0.1253000      0.4844000
  1 1 1       5  -14    2 o    3.290000      0.4800000       3.257000 0.7315000       3.323000      0.6218000     -0.6589000E-01  0.9601000
  1 1 1       5  -14    3 o    6.692000      0.2970000       6.022000 0.4613000       7.361000      0.3742000      -1.339000      0.5940000
  1 1 1       5  -14    4 o    5.417000      0.4647000       5.305000 0.7584000       5.528000      0.5372000     -0.2224000      0.9294000
  1 1 1       5  -14    5 o    5.983000      0.4390000       6.036000 0.6714000       5.930000      0.5659000      0.1061000      0.8781000
  1 1 1       5  -14    6 o    4.236000      0.6220000       4.730000 0.8819000       3.742000      0.8774000      0.9881000       1.244000
  1 1 1       5  -14    7 o    5.285000      0.5609000       6.366000 0.5584000       4.205000      0.9731000       2.160000       1.122000
  1 1 1       5  -14    8 o    9.335000      0.3238000       9.261000 0.4259000       9.409000      0.4879000     -0.1477000      0.6477000
  1 1 1       5  -14    9 o    6.632000      0.2619000       6.018000 0.3722000       7.245000      0.3687000      -1.228000      0.5239000
  1 1 1       5  -14   10 o    1.793000      0.4626000       1.531000 0.6064000       2.055000      0.6988000     -0.5237000      0.9253000
  1 1 1       5  -14   11 o    10.73000      0.2311000       11.02000 0.3456000       10.44000      0.3069000      0.5783000      0.4622000
  1 1 1       5  -14   12 o    7.230000      0.2047000       7.513000 0.2979000       6.946000      0.2807000      0.5675000      0.4093000
  1 1 1       5  -14   13 o    9.944000      0.2121000       9.734000 0.3186000       10.15000      0.2800000     -0.4195000      0.4241000
  1 1 1       5  -14   14 o    5.941000      0.2168000       5.764000 0.3418000       6.118000      0.2668000     -0.3538000      0.4336000
  1 1 1       5  -14   15 o    7.146000      0.2065000       7.284000 0.3211000       7.008000      0.2598000      0.2765000      0.4130000
  1 1 1       5  -14   16 o    8.072000      0.2162000       8.439000 0.3580000       7.705000      0.2425000      0.7340000      0.4324000
  1 1 1       5  -14   17 f    2.731000      0.3859000       2.916000 0.5922000       2.547000      0.4950000      0.3693000      0.7718000
  1 1 1       5  -14   18 o    9.821000      0.1875000       9.942000 0.2812000       9.700000      0.2483000      0.2416000      0.3751000
  1 1 1       5  -14   19 o    12.81000      0.2049000       12.67000 0.2930000       12.95000      0.2865000     -0.2789000      0.4098000
  1 1 1       5  -14   20 o    7.392000      0.2102000       7.152000 0.2690000       7.631000      0.3231000     -0.4781000      0.4204000
  1 1 1       5  -14   21 o    4.959000      0.2196000       5.337000 0.3079000       4.580000      0.3133000      0.7562000      0.4392000
  1 1 1       5  -14   22 o    10.06000      0.1894000       10.10000 0.2752000       10.02000      0.2602000      0.8359000E-01  0.3787000
  1 1 1       5  -14   23 f    12.03000      0.2063000       11.83000 0.2957000       12.23000      0.2876000     -0.4022000      0.4125000
  1 1 1       5  -14   24 o    3.748000      0.2836000       3.859000 0.3731000       3.637000      0.4272000      0.2224000      0.5672000
  1 1 1       5  -14   25 o    5.050000      0.2464000       5.227000 0.3334000       4.872000      0.3628000      0.3542000      0.4928000
  1 1 1       5  -14   26 o    9.939000      0.2077000       9.964000 0.2961000       9.913000      0.2914000      0.5065000E-01  0.4154000
  1 1 1       5  -14   27 o    7.105000      0.4077000       7.063000 0.6638000       7.147000      0.4737000     -0.8488000E-01  0.8155000
  1 1 1       5  -14   28 o    6.922000      0.4435000       7.115000 0.7131000       6.729000      0.5276000      0.3857000      0.8870000
  1 1 1       5  -14   29 f    2.443000      0.6885000       2.479000 1.019000       2.407000      0.9260000      0.7194000E-01   1.377000
  1 1 1       5  -14   30 o    4.116000      0.4319000       5.015000 0.4676000       3.217000      0.7263000       1.798000      0.8638000
  1 1 1       5  -14   31 o    2.347000      0.5015000       3.215000 0.7300000       1.479000      0.6877000       1.736000       1.003000
  1 1 1       5  -14   32 o    3.120000      0.5307000       2.464000 0.8063000       3.776000      0.6903000      -1.312000       1.061000
  1 1 1       5  -14   33 o    2.858000      0.6033000       3.107000 0.9595000       2.610000      0.7318000      0.4971000       1.207000
  1 1 1       5  -13    0 o    4.538000      0.2454000       4.567000 0.3338000       4.508000      0.3599000      0.5940000E-01  0.4908000
  1 1 1       5  -13    1 o    1.387000      0.4206000       1.419000 0.5983000       1.355000      0.5912000      0.6460000E-01  0.8411000
  1 1 1       5  -13    2 o    5.456000      0.2911000       5.531000 0.4158000       5.381000      0.4077000      0.1500000      0.5823000
  1 1 1       5  -13    3 o    5.513000      0.2971000       5.642000 0.4446000       5.384000      0.3941000      0.2585000      0.5942000
  1 1 1       5  -13    4 o    6.970000      0.3382000       7.389000 0.5036000       6.550000      0.4516000      0.8391000      0.6764000
  1 1 1       5  -13    5 o    5.939000      0.4310000       5.671000 0.6940000       6.207000      0.5113000     -0.5365000      0.8620000
  1 1 1       5  -13    6 o    5.914000      0.4370000       6.179000 0.6495000       5.649000      0.5847000      0.5300000      0.8740000
  1 1 1       5  -13    7 f    8.279000      0.3345000       8.335000 0.4363000       8.223000      0.5071000      0.1118000      0.6690000
  1 1 1       5  -13    8 o    5.488000      0.4554000       5.685000 0.5065000       5.290000      0.7570000      0.3948000      0.9108000
  1 1 1       5  -13    9 o    2.140000      0.4904000       1.956000 0.6448000       2.325000      0.7391000     -0.3693000      0.9808000
  1 1 1       5  -13   10 o    2.082000      0.4625000       1.944000 0.6417000       2.219000      0.6662000     -0.2748000      0.9250000
  1 1 1       5  -13   11 o    6.806000      0.1962000       7.064000 0.2838000       6.548000      0.2708000      0.5155000      0.3923000
  1 1 1       5  -13   12 o    7.066000      0.1938000       6.733000 0.2828000       7.399000      0.2651000     -0.6658000      0.3876000
  1 1 1       5  -13   13 o    2.444000      0.3684000       2.199000 0.6138000       2.689000      0.4074000     -0.4904000      0.7368000
  1 1 1       5  -13   14 o    2.266000      0.4034000       2.186000 0.6411000       2.347000      0.4898000     -0.1614000      0.8068000
  1 1 1       5  -13   15 o    2.962000      0.3208000       3.242000 0.4949000       2.683000      0.4082000      0.5592000      0.6415000
  1 1 1       5  -13   16 o    8.545000      0.1785000       8.456000 0.2661000       8.635000      0.2380000     -0.1785000      0.3570000
  1 1 1       5  -13   17 o    12.68000      0.2038000       12.54000 0.2947000       12.81000      0.2815000     -0.2676000      0.4076000
  1 1 1       5  -13   18 o    10.18000      0.1803000       10.13000 0.2614000       10.22000      0.2483000     -0.9303000E-01  0.3605000
  1 1 1       5  -13   19 o    9.027000      0.1728000       9.022000 0.2546000       9.032000      0.2339000     -0.1016000E-01  0.3457000
  1 1 1       5  -13   20 o    10.64000      0.1863000       10.52000 0.2711000       10.76000      0.2556000     -0.2440000      0.3726000
  1 1 1       5  -13   21 o    2.280000      0.3516000       3.066000 0.4080000       1.493000      0.5727000       1.572000      0.7032000
  1 1 1       5  -13   22 f    6.509000      0.1829000       6.540000 0.2626000       6.478000      0.2548000      0.6198000E-01  0.3659000
  1 1 1       5  -13   23 o    1.404000      0.3964000       1.561000 0.5730000       1.247000      0.5480000      0.3148000      0.7928000
  1 1 1       5  -13   24 o    7.890000      0.1896000       7.906000 0.2698000       7.874000      0.2664000      0.3145000E-01  0.3792000
  1 1 1       5  -13   25 o    4.011000      0.2792000       3.925000 0.3821000       4.097000      0.4071000     -0.1716000      0.5584000
  1 1 1       5  -13   26 o    5.335000      0.2320000       5.223000 0.3254000       5.447000      0.3308000     -0.2241000      0.4640000
  1 1 1       5  -13   27 o    3.971000      0.3335000       4.300000 0.4135000       3.642000      0.5234000      0.6576000      0.6670000
  1 1 1       5  -13   28 o    8.626000      0.2307000       8.531000 0.3284000       8.720000      0.3242000     -0.1890000      0.4614000
  1 1 1       5  -13   29 o    5.840000      0.2849000       6.054000 0.3811000       5.625000      0.4234000      0.4282000      0.5697000
  1 1 1       5  -13   30 f    2.951000      0.7319000       3.897000 1.175000       2.006000      0.8732000       1.890000       1.464000
  1 1 1       5  -13   31 o    4.487000      0.6325000       4.736000 0.8857000       4.238000      0.9030000      0.4979000       1.265000
  1 1 1       5  -13   32 o    2.880000      0.6469000       1.914000 0.8852000       3.846000      0.9436000      -1.932000       1.294000
  1 1 1       5  -13   33 o    1.744000      0.5292000       1.499000 0.6829000       1.988000      0.8085000     -0.4892000       1.058000
  1 1 1       5  -12    0 o    7.936000      0.1883000       7.847000 0.2500000       8.025000      0.2817000     -0.1778000      0.3767000
  1 1 1       5  -12    1 o    6.915000      0.2013000       6.813000 0.2712000       7.017000      0.2976000     -0.2044000      0.4026000
  1 1 1       5  -12    2 o    9.397000      0.2216000       9.564000 0.2991000       9.230000      0.3270000      0.3338000      0.4432000
  1 1 1       5  -12    3 o    13.54000      0.2636000       13.16000 0.3471000       13.92000      0.3968000     -0.7620000      0.5272000
  1 1 1       5  -12    4 o    4.954000      0.3760000       5.349000 0.5627000       4.558000      0.4989000      0.7913000      0.7520000
  1 1 1       5  -12    5 o    12.61000      0.2981000       12.39000 0.4109000       12.83000      0.4319000     -0.4401000      0.5961000
  1 1 1       5  -12    6 o    14.65000      0.3715000       14.50000 0.5959000       14.81000      0.4439000     -0.3104000      0.7431000
  1 1 1       5  -12    7 o    10.33000      0.4011000       10.33000 0.4011000                  ?              ?              ?              ?
  1 1 1       5  -12    8 o    8.550000      0.3045000       8.862000 0.3883000       8.238000      0.4691000      0.6244000      0.6090000
  1 1 1       5  -12    9 o    2.910000      0.6554000                  ?       ?   2.910000      0.6554000                  ?              ?
  1 1 1       5  -12   10 f    2.650000      0.4047000       3.035000 0.4948000       2.266000      0.6406000      0.7696000      0.8095000
  1 1 1       5  -12   11 o    4.332000      0.2135000       4.510000 0.2970000       4.154000      0.3068000      0.3564000      0.4270000
  1 1 1       5  -12   12 o    6.414000      0.1839000       6.336000 0.2756000       6.493000      0.2435000     -0.1577000      0.3678000
  1 1 1       5  -12   13 o    7.086000      0.1844000       7.091000 0.2818000       7.081000      0.2380000      0.9914000E-02  0.3689000
  1 1 1       5  -12   14 o    8.127000      0.1782000       7.846000 0.2692000       8.407000      0.2337000     -0.5603000      0.3565000
  1 1 1       5  -12   15 o    8.362000      0.1680000       8.192000 0.2515000       8.531000      0.2229000     -0.3385000      0.3360000
  1 1 1       5  -12   16 o    8.905000      0.2133000       9.032000 0.3594000       8.778000      0.2299000      0.2536000      0.4267000
  1 1 1       5  -12   17 o    9.944000      0.1721000       10.01000 0.2502000       9.876000      0.2364000      0.1365000      0.3442000
  1 1 1       5  -12   18 f    12.31000      0.1938000       12.19000 0.2774000       12.42000      0.2706000     -0.2254000      0.3875000
  1 1 1       5  -12   19 o    7.208000      0.1640000       7.102000 0.2384000       7.314000      0.2253000     -0.2125000      0.3280000
  1 1 1       5  -12   20 o    7.097000      0.1689000       6.997000 0.2384000       7.197000      0.2394000     -0.2001000      0.3378000
  1 1 1       5  -12   21 o    2.753000      0.3072000       2.801000 0.4106000       2.705000      0.4571000      0.9599000E-01  0.6144000
  1 1 1       5  -12   22 o    5.060000      0.2060000       5.071000 0.2833000       5.048000      0.2991000      0.2333000E-01  0.4120000
  1 1 1       5  -12   23 o    6.360000      0.1939000       6.534000 0.2645000       6.187000      0.2836000      0.3467000      0.3878000
  1 1 1       5  -12   24 o    10.07000      0.1931000       10.19000 0.2761000       9.958000      0.2701000      0.2329000      0.3862000
  1 1 1       5  -12   25 o    4.388000      0.2493000       4.604000 0.3235000       4.171000      0.3794000      0.4339000      0.4986000
  1 1 1       5  -12   26 o    1.873000      0.4451000       2.258000 0.6253000       1.488000      0.6336000      0.7702000      0.8903000
  1 1 1       5  -12   27 o    8.932000      0.2150000       8.925000 0.3065000       8.939000      0.3017000     -0.1352000E-01  0.4301000
  1 1 1       5  -12   28 o    4.048000      0.3571000       4.182000 0.4513000       3.915000      0.5534000      0.2671000      0.7141000
  1 1 1       5  -12   29 o    9.695000      0.2315000       9.630000 0.3241000       9.759000      0.3305000     -0.1292000      0.4630000
  1 1 1       5  -12   30 o    3.366000      0.4705000       3.818000 0.5260000       2.915000      0.7803000      0.9027000      0.9411000
  1 1 1       5  -12   31 o    5.423000      0.3159000       5.281000 0.4223000       5.564000      0.4699000     -0.2831000      0.6318000
  1 1 1       5  -12   32 o    2.233000      0.6433000       1.929000 0.8746000       2.538000      0.9435000     -0.6091000       1.287000
  1 1 1       5  -12   33 o    2.499000      0.6527000       1.944000 0.8973000       3.054000      0.9482000      -1.110000       1.305000
  1 1 1       5  -12   34 o    2.950000      0.7018000       3.093000 1.018000       2.808000      0.9665000      0.2844000       1.404000
  1 1 1       5  -11    0 o    7.809000      0.1703000       7.742000 0.2311000       7.876000      0.2502000     -0.1344000      0.3406000
  1 1 1       5  -11    1 o    13.42000      0.2193000       13.17000 0.2955000       13.67000      0.3240000     -0.4978000      0.4385000
  1 1 1       5  -11    2 o    10.05000      0.2710000       9.649000 0.4392000       10.46000      0.3177000     -0.8104000      0.5421000
  1 1 1       5  -11    3 o    5.280000      0.2635000       4.791000 0.4026000       5.768000      0.3400000     -0.9771000      0.5270000
  1 1 1       5  -11    4 o    9.647000      0.2462000       9.869000 0.3568000       9.425000      0.3393000      0.4440000      0.4923000
  1 1 1       5  -11    5 o    12.89000      0.2869000       12.79000 0.3889000       12.99000      0.4220000     -0.1993000      0.5738000
  1 1 1       5  -11    6 o    9.274000      0.3694000       9.237000 0.6234000       9.310000      0.3966000     -0.7212000E-01  0.7389000
  1 1 1       5  -11    7 o    8.453000      0.4114000       8.453000 0.4114000                  ?              ?              ?              ?
  1 1 1       5  -11    8 o    11.66000      0.2813000       12.19000 0.4090000       11.12000      0.3862000       1.063000      0.5625000
  1 1 1       5  -11    9 o    9.969000      0.3186000                  ?       ?   9.969000      0.3186000                  ?              ?
  1 1 1       5  -11   10 o    11.25000      0.2317000       11.59000 0.3504000       10.90000      0.3033000      0.6889000      0.4635000
  1 1 1       5  -11   11 o    4.090000      0.2218000       3.851000 0.3336000       4.328000      0.2922000     -0.4775000      0.4435000
  1 1 1       5  -11   12 o    3.695000      0.2261000       3.717000 0.3586000       3.673000      0.2756000      0.4457000E-01  0.4523000
  1 1 1       5  -11   13 o    5.824000      0.1785000       5.811000 0.2757000       5.837000      0.2267000     -0.2650000E-01  0.3569000
  1 1 1       5  -11   14 o    8.786000      0.1661000       8.679000 0.2458000       8.894000      0.2234000     -0.2149000      0.3322000
  1 1 1       5  -11   15 o    2.361000      0.3355000       1.659000 0.5832000       3.062000      0.3319000      -1.404000      0.6711000
  1 1 1       5  -11   16 o    5.868000      0.1599000       5.732000 0.2350000       6.003000      0.2169000     -0.2711000      0.3198000
  1 1 1       5  -11   17 o    5.723000      0.1606000       5.717000 0.2367000       5.728000      0.2169000     -0.1100000E-01  0.3211000
  1 1 1       5  -11   18 o    1.250000      0.3468000       1.538000 0.5358000      0.9627000      0.4404000      0.5755000      0.6936000
  1 1 1       5  -11   19 o    2.745000      0.2692000       2.778000 0.3763000       2.712000      0.3849000      0.6549000E-01  0.5383000
  1 1 1       5  -11   20 o    5.915000      0.1691000       5.864000 0.2407000       5.965000      0.2375000     -0.1013000      0.3382000
  1 1 1       5  -11   21 o    8.226000      0.1741000       8.030000 0.2455000       8.422000      0.2470000     -0.3924000      0.3482000
  1 1 1       5  -11   22 o    5.712000      0.1866000       5.567000 0.2620000       5.857000      0.2656000     -0.2904000      0.3731000
  1 1 1       5  -11   23 o    2.861000      0.3341000       2.863000 0.4244000       2.860000      0.5161000      0.2549000E-02  0.6682000
  1 1 1       5  -11   24 o    9.240000      0.1887000       9.307000 0.2687000       9.172000      0.2652000      0.1354000      0.3775000
  1 1 1       5  -11   25 o    3.982000      0.2895000       4.044000 0.3819000       3.920000      0.4351000      0.1239000      0.5790000
  1 1 1       5  -11   26 o    4.364000      0.2879000       4.377000 0.3872000       4.351000      0.4261000      0.2679000E-01  0.5757000
  1 1 1       5  -11   27 o    12.50000      0.2242000       12.37000 0.3180000       12.62000      0.3161000     -0.2477000      0.4484000
  1 1 1       5  -11   28 o    2.378000      0.4628000       3.025000 0.5946000       1.731000      0.7095000       1.294000      0.9256000
  1 1 1       5  -11   29 o    10.99000      0.2268000       11.28000 0.3228000       10.69000      0.3188000      0.5895000      0.4537000
  1 1 1       5  -11   30 o    6.596000      0.2683000       6.597000 0.3694000       6.595000      0.3891000      0.2083000E-02  0.5365000
  1 1 1       5  -11   31 o    6.319000      0.2863000       6.496000 0.3763000       6.141000      0.4315000      0.3551000      0.5725000
  1 1 1       5  -11   32 o    3.681000      0.4666000       3.155000 0.7163000       4.207000      0.5982000      -1.052000      0.9333000
  1 1 1       5  -11   33 f    2.376000      0.5675000       2.191000 0.7962000       2.562000      0.8089000     -0.3708000       1.135000
  1 1 1       5  -11   34 o    3.819000      0.6657000       3.982000 0.9553000       3.655000      0.9274000      0.3270000       1.331000
  1 1 1       5  -10    0 o    15.61000      0.2286000       15.48000 0.3180000       15.74000      0.3285000     -0.2599000      0.4572000
  1 1 1       5  -10    1 o    7.028000      0.1686000       7.350000 0.2284000       6.706000      0.2481000      0.6433000      0.3373000
  1 1 1       5  -10    2 o    9.975000      0.1964000       10.24000 0.2640000       9.709000      0.2908000      0.5321000      0.3927000
  1 1 1       5  -10    3 o    15.56000      0.2590000       15.31000 0.3420000       15.81000      0.3892000     -0.4983000      0.5181000
  1 1 1       5  -10    4 o    11.80000      0.2361000       11.88000 0.3175000       11.73000      0.3494000      0.1477000      0.4721000
  1 1 1       5  -10    5 o    11.11000      0.2723000       11.24000 0.3919000       10.98000      0.3782000      0.2616000      0.5447000
  1 1 1       5  -10    6 o    2.157000      0.5981000       2.367000 0.9190000       1.948000      0.7656000      0.4186000       1.196000
  1 1 1       5  -10    7 o    3.737000      0.5440000       4.469000 0.5575000       3.005000      0.9342000       1.464000       1.088000
  1 1 1       5  -10    8 o    11.62000      0.3251000       11.21000 0.3765000       12.04000      0.5300000     -0.8296000      0.6502000
  1 1 1       5  -10    9 o    8.341000      0.2187000       8.490000 0.3071000       8.193000      0.3116000      0.2971000      0.4375000
  1 1 1       5  -10   10 o    9.977000      0.2118000       9.730000 0.3109000       10.22000      0.2878000     -0.4929000      0.4236000
  1 1 1       5  -10   11 o    1.692000      0.3541000       1.932000 0.4990000       1.452000      0.5024000      0.4804000      0.7082000
  1 1 1       5  -10   12 o    8.624000      0.1748000       8.616000 0.2668000       8.632000      0.2259000     -0.1570000E-01  0.3496000
  1 1 1       5  -10   13 o    5.266000      0.1690000       5.349000 0.2599000       5.182000      0.2162000      0.1675000      0.3381000
  1 1 1       5  -10   14 o    9.287000      0.1632000       9.219000 0.2406000       9.355000      0.2206000     -0.1357000      0.3264000
  1 1 1       5  -10   15 o    6.953000      0.1501000       7.036000 0.2235000       6.871000      0.2004000      0.1647000      0.3002000
  1 1 1       5  -10   16 o    9.874000      0.1633000       9.812000 0.2360000       9.936000      0.2259000     -0.1235000      0.3266000
  1 1 1       5  -10   17 o    6.078000      0.1538000       6.169000 0.2245000       5.988000      0.2103000      0.1804000      0.3076000
  1 1 1       5  -10   18 o    8.027000      0.1572000       7.933000 0.2257000       8.120000      0.2189000     -0.1867000      0.3144000
  1 1 1       5  -10   19 o    5.221000      0.1701000       5.278000 0.2395000       5.164000      0.2417000      0.1134000      0.3403000
  1 1 1       5  -10   20 o    2.520000      0.3142000       2.672000 0.3957000       2.368000      0.4881000      0.3042000      0.6283000
  1 1 1       5  -10   21 o    1.782000      0.3908000       1.862000 0.5261000       1.703000      0.5781000      0.1588000      0.7816000
  1 1 1       5  -10   22 f    9.761000      0.1817000       9.847000 0.2592000       9.675000      0.2549000      0.1713000      0.3635000
  1 1 1       5  -10   23 f    5.582000      0.1997000       5.601000 0.2700000       5.564000      0.2944000      0.3683000E-01  0.3995000
  1 1 1       5  -10   24 o    7.232000      0.1917000       7.324000 0.2662000       7.140000      0.2759000      0.1833000      0.3834000
  1 1 1       5  -10   25 o    8.325000      0.1923000       8.161000 0.2675000       8.489000      0.2764000     -0.3281000      0.3847000
  1 1 1       5  -10   26 o    1.619000      0.4488000       1.682000 0.6201000       1.556000      0.6490000      0.1260000      0.8976000
  1 1 1       5  -10   27 o    7.502000      0.2196000       8.050000 0.2972000       6.954000      0.3234000       1.096000      0.4392000
  1 1 1       5  -10   28 o    4.829000      0.2910000       4.415000 0.4175000       5.242000      0.4057000     -0.8269000      0.5821000
  1 1 1       5  -10   29 o    2.294000      0.5102000       2.536000 0.6801000       2.052000      0.7608000      0.4843000       1.020000
  1 1 1       5  -10   30 o    7.955000      0.2394000       7.794000 0.3406000       8.116000      0.3366000     -0.3227000      0.4788000
  1 1 1       5  -10   31 f    3.394000      0.4575000       3.473000 0.5973000       3.316000      0.6933000      0.1574000      0.9151000
  1 1 1       5  -10   32 o    3.511000      0.4773000       3.651000 0.6242000       3.371000      0.7223000      0.2798000      0.9546000
  1 1 1       5  -10   33 o    3.574000      0.4896000       3.460000 0.7069000       3.688000      0.6776000     -0.2285000      0.9792000
  1 1 1       5  -10   34 o    4.850000      0.3702000       4.691000 0.5394000       5.010000      0.5073000     -0.3188000      0.7405000
  1 1 1       5  -10   35 o    2.777000      0.6861000       2.346000 0.9788000       3.208000      0.9616000     -0.8625000       1.372000
  1 1 1       5   -9    0 o    15.37000      0.2227000       15.42000 0.3143000       15.31000      0.3156000      0.1106000      0.4454000
  1 1 1       5   -9    1 o    16.02000      0.2311000       16.05000 0.3242000       16.00000      0.3295000      0.5142000E-01  0.4622000
  1 1 1       5   -9    2 o    15.05000      0.2298000       15.02000 0.3127000       15.07000      0.3369000     -0.5546000E-01  0.4597000
  1 1 1       5   -9    3 o    22.52000      0.4400000       23.13000 0.6407000       21.91000      0.6031000       1.216000      0.8799000
  1 1 1       5   -9    4 o    2.272000      0.3988000       1.630000 0.6528000       2.915000      0.4582000      -1.285000      0.7976000
  1 1 1       5   -9    5 o    7.482000      0.3089000       7.688000 0.5039000       7.276000      0.3575000      0.4119000      0.6178000
  1 1 1       5   -9    6 o    2.781000      0.6568000       3.345000 1.055000       2.218000      0.7832000       1.127000       1.314000
  1 1 1       5   -9    7 o    4.586000      0.9164000       5.806000 1.560000       3.366000      0.9619000       2.440000       1.833000
  1 1 1       5   -9    8 o    2.510000      0.8461000       3.146000 1.455000       1.874000      0.8645000       1.273000       1.692000
  1 1 1       5   -9    9 o    14.31000      0.7088000       13.52000 1.308000       15.10000      0.5473000      -1.580000       1.418000
  1 1 1       5   -9   10 o    7.194000      0.9092000       5.232000 1.738000       9.155000      0.5345000      -3.923000       1.818000
  1 1 1       5   -9   11 o    4.493000      0.6327000       4.189000 1.158000       4.798000      0.5113000     -0.6090000       1.265000
  1 1 1       5   -9   12 o    6.814000      0.3215000       6.170000 0.5431000       7.457000      0.3443000      -1.288000      0.6430000
  1 1 1       5   -9   13 o    3.925000      0.2820000       4.063000 0.4296000       3.788000      0.3654000      0.2750000      0.5640000
  1 1 1       5   -9   14 o    9.650000      0.2230000       9.451000 0.3164000       9.849000      0.3143000     -0.3975000      0.4460000
  1 1 1       5   -9   15 o    4.609000      0.1913000       4.395000 0.2765000       4.823000      0.2644000     -0.4282000      0.3826000
  1 1 1       5   -9   16 o    3.278000      0.2385000       3.522000 0.2980000       3.035000      0.3726000      0.4867000      0.4771000
  1 1 1       5   -9   17 o    4.080000      0.1685000       3.912000 0.2406000       4.248000      0.2358000     -0.3353000      0.3369000
  1 1 1       5   -9   18 o    7.622000      0.1563000       7.751000 0.2283000       7.493000      0.2136000      0.2583000      0.3127000
  1 1 1       5   -9   19 o    7.367000      0.1613000       7.310000 0.2296000       7.425000      0.2267000     -0.1146000      0.3227000
  1 1 1       5   -9   20 o    12.78000      0.2009000       12.63000 0.2854000       12.93000      0.2827000     -0.3088000      0.4017000
  1 1 1       5   -9   21 o    6.729000      0.1753000       6.822000 0.2432000       6.636000      0.2526000      0.1865000      0.3506000
  1 1 1       5   -9   22 o    2.720000      0.3411000       2.748000 0.4356000       2.692000      0.5250000      0.5611000E-01  0.6821000
  1 1 1       5   -9   23 o    17.22000      0.2537000       17.26000 0.3604000       17.17000      0.3571000      0.9355000E-01  0.5074000
  1 1 1       5   -9   24 o    11.20000      0.2013000       10.99000 0.2842000       11.41000      0.2851000     -0.4159000      0.4026000
  1 1 1       5   -9   25 o    9.378000      0.1956000       9.256000 0.2706000       9.500000      0.2824000     -0.2432000      0.3911000
  1 1 1       5   -9   26 o    2.720000      0.4106000       2.511000 0.5644000       2.930000      0.5965000     -0.4199000      0.8212000
  1 1 1       5   -9   27 o    2.144000      0.4660000       2.366000 0.6182000       1.922000      0.6975000      0.4437000      0.9320000
  1 1 1       5   -9   28 o    3.649000      0.3902000       4.147000 0.4270000       3.151000      0.6532000      0.9956000      0.7804000
  1 1 1       5   -9   29 o    5.933000      0.2665000       6.356000 0.3439000       5.510000      0.4072000      0.8460000      0.5329000
  1 1 1       5   -9   30 f    5.176000      0.3018000       5.528000 0.3794000       4.823000      0.4694000      0.7046000      0.6035000
  1 1 1       5   -9   31 o    2.525000      0.5415000       2.311000 0.7446000       2.740000      0.7863000     -0.4292000       1.083000
  1 1 1       5   -9   32 o    2.298000      0.5386000       1.791000 0.7317000       2.804000      0.7904000      -1.013000       1.077000
  1 1 1       5   -9   33 o    5.277000      0.3291000       5.310000 0.4396000       5.244000      0.4898000      0.6648000E-01  0.6581000
  1 1 1       5   -9   34 o    3.385000      0.4965000       3.466000 0.6524000       3.304000      0.7487000      0.1628000      0.9931000
  1 1 1       5   -9   35 o    2.022000      0.5497000       2.128000 0.7779000       1.915000      0.7769000      0.2134000       1.099000
  1 1 1       5   -8    0 o    17.29000      0.2431000       17.48000 0.3468000       17.10000      0.3409000      0.3803000      0.4863000
  1 1 1       5   -8    1 o    12.14000      0.2560000       11.81000 0.3550000       12.47000      0.3690000     -0.6544000      0.5120000
  1 1 1       5   -8    2 o    14.65000      0.2954000       14.39000 0.4116000       14.91000      0.4239000     -0.5287000      0.5908000
  1 1 1       5   -8    3 o    9.947000      0.2297000       9.919000 0.3319000       9.974000      0.3177000     -0.5576000E-01  0.4595000
  1 1 1       5   -8    4 o    11.12000      0.2042000       11.07000 0.2712000       11.16000      0.3054000     -0.8416000E-01  0.4084000
  1 1 1       5   -8    5 o    20.90000      0.4577000       21.93000 0.4504000       19.88000      0.7969000       2.052000      0.9154000
  1 1 1       5   -8    6 o    17.92000      0.3533000       17.16000 0.5406000       18.68000      0.4550000      -1.521000      0.7066000
  1 1 1       5   -8    7 o    13.04000      0.2584000       12.93000 0.3635000       13.16000      0.3673000     -0.2272000      0.5167000
  1 1 1       5   -8    8 o    18.32000      0.5153000       18.32000 0.5153000                  ?              ?              ?              ?
  1 1 1       5   -8    9 o    12.68000      0.3138000       13.10000 0.3574000       12.27000      0.5159000      0.8274000      0.6276000
  1 1 1       5   -8   10 o    4.940000      0.2286000                  ?       ?   4.940000      0.2286000                  ?              ?
  1 1 1       5   -8   11 o    6.052000      0.1601000       5.964000 0.2450000       6.139000      0.2060000     -0.1757000      0.3201000
  1 1 1       5   -8   12 o    6.379000      0.1446000       6.441000 0.2190000       6.318000      0.1890000      0.1231000      0.2893000
  1 1 1       5   -8   13 o    3.168000      0.1959000       3.126000 0.3114000       3.210000      0.2377000     -0.8427000E-01  0.3918000
  1 1 1       5   -8   14 f    8.316000      0.1433000       8.212000 0.2067000       8.420000      0.1985000     -0.2079000      0.2866000
  1 1 1       5   -8   15 o    1.843000      0.2888000       2.050000 0.3812000       1.636000      0.4340000      0.4132000      0.5776000
  1 1 1       5   -8   16 o    13.31000      0.1961000       13.27000 0.2790000       13.35000      0.2758000     -0.7997000E-01  0.3923000
  1 1 1       5   -8   17 o    8.783000      0.2041000       8.491000 0.2793000       9.074000      0.2977000     -0.5829000      0.4082000
  1 1 1       5   -8   18 o    7.735000      0.2007000       7.967000 0.2745000       7.504000      0.2930000      0.4635000      0.4015000
  1 1 1       5   -8   19 o    5.887000      0.2139000       6.049000 0.2811000       5.724000      0.3224000      0.3249000      0.4277000
  1 1 1       5   -8   20 o    12.14000      0.2623000       11.93000 0.3600000       12.35000      0.3816000     -0.4236000      0.5246000
  1 1 1       5   -8   21 o    1.953000      0.3754000       1.403000 0.5371000       2.503000      0.5248000      -1.100000      0.7509000
  1 1 1       5   -8   22 o    8.805000      0.1824000       8.936000 0.2542000       8.674000      0.2616000      0.2618000      0.3648000
  1 1 1       5   -8   23 o    8.802000      0.1849000       8.654000 0.2599000       8.951000      0.2630000     -0.2967000      0.3698000
  1 1 1       5   -8   24 o    7.903000      0.1912000       7.935000 0.2685000       7.870000      0.2723000      0.6460000E-01  0.3824000
  1 1 1       5   -8   25 o    7.010000      0.1994000       6.823000 0.2753000       7.197000      0.2887000     -0.3733000      0.3989000
  1 1 1       5   -8   26 o    3.980000      0.3030000       4.033000 0.4030000       3.928000      0.4525000      0.1042000      0.6059000
  1 1 1       5   -8   27 o    2.065000      0.4526000       1.542000 0.6151000       2.588000      0.6641000      -1.046000      0.9052000
  1 1 1       5   -8   28 o    2.258000      0.4844000       2.367000 0.6373000       2.148000      0.7297000      0.2184000      0.9688000
  1 1 1       5   -8   29 f    6.548000      0.2450000       6.402000 0.3359000       6.694000      0.3566000     -0.2919000      0.4899000
  1 1 1       5   -8   30 o    2.957000      0.4817000       2.711000 0.6695000       3.203000      0.6929000     -0.4912000      0.9635000
  1 1 1       5   -8   31 f    5.207000      0.3211000       5.448000 0.4061000       4.967000      0.4975000      0.4817000      0.6422000
  1 1 1       5   -8   32 o    2.213000      0.5453000       1.853000 0.7426000       2.573000      0.7986000     -0.7202000       1.091000
  1 1 1       5   -8   33 o    1.645000      0.5037000       1.493000 0.6664000       1.797000      0.7554000     -0.3043000       1.007000
  1 1 1       5   -8   34 o    4.222000      0.4189000       4.725000 0.5245000       3.718000      0.6532000       1.007000      0.8377000
  1 1 1       5   -8   35 o    2.523000      0.5720000       2.547000 0.7995000       2.499000      0.8183000      0.4775000E-01   1.144000
  1 1 1       5   -8   36 o    3.230000       1.026000       3.230000 1.026000                  ?              ?              ?              ?
  1 1 1       5   -7    0 o    12.67000      0.1853000       12.97000 0.2666000       12.38000      0.2573000      0.5911000      0.3705000
  1 1 1       5   -7    1 o    33.34000      0.4492000       33.35000 0.6350000       33.33000      0.6354000      0.2031000E-01  0.8983000
  1 1 1       5   -7    2 o    34.23000      0.4619000       34.52000 0.6584000       33.95000      0.6480000      0.5710000      0.9238000
  1 1 1       5   -7    3 o    29.14000      0.3969000       29.31000 0.5614000       28.97000      0.5611000      0.3387000      0.7937000
  1 1 1       5   -7    4 o    8.084000      0.3398000       7.818000 0.3693000       8.350000      0.5704000     -0.5320000      0.6795000
  1 1 1       5   -7    5 o    29.48000      0.6028000       29.64000 0.8169000       29.33000      0.8868000      0.3158000       1.206000
  1 1 1       5   -7    6 o    7.566000      0.7088000       6.012000 0.5598000       9.119000       1.302000      -3.107000       1.418000
  1 1 1       5   -7    7 o    2.494000      0.5894000       2.704000 0.6280000       2.284000      0.9975000      0.4197000       1.179000
  1 1 1       5   -7    8 o    13.91000      0.4013000       13.91000 0.4013000                  ?              ?              ?              ?
  1 1 1       5   -7    9 o    12.13000      0.2508000       11.97000 0.3441000       12.30000      0.3649000     -0.3332000      0.5015000
  1 1 1       5   -7   10 o    14.47000      0.4043000                  ?       ?   14.47000      0.4043000                  ?              ?
  1 1 1       5   -7   11 o    12.55000      0.2533000       12.52000 0.3597000       12.58000      0.3569000     -0.5585000E-01  0.5067000
  1 1 1       5   -7   12 f    7.147000      0.1864000       7.187000 0.2732000       7.107000      0.2538000      0.8044000E-01  0.3729000
  1 1 1       5   -7   13 o    3.547000      0.2540000       3.206000 0.4146000       3.889000      0.2938000     -0.6829000      0.5081000
  1 1 1       5   -7   14 o    8.314000      0.2142000       8.436000 0.3165000       8.192000      0.2885000      0.2431000      0.4283000
  1 1 1       5   -7   15 o    4.681000      0.2499000       4.673000 0.3996000       4.689000      0.3002000     -0.1596000E-01  0.4998000
  1 1 1       5   -7   16 o    11.37000      0.2592000       11.31000 0.3790000       11.44000      0.3537000     -0.1239000      0.5184000
  1 1 1       5   -7   17 o    2.326000      0.2814000       2.611000 0.3245000       2.041000      0.4598000      0.5701000      0.5627000
  1 1 1       5   -7   18 o    8.161000      0.1589000       8.116000 0.2268000       8.206000      0.2226000     -0.8998000E-01  0.3178000
  1 1 1       5   -7   19 o    1.695000      0.3735000       1.507000 0.5170000       1.883000      0.5392000     -0.3764000      0.7470000
  1 1 1       5   -7   20 f    5.285000      0.2348000       5.660000 0.2906000       4.910000      0.3688000      0.7504000      0.4696000
  1 1 1       5   -7   21 o    7.759000      0.2318000       8.185000 0.3052000       7.333000      0.3489000      0.8519000      0.4635000
  1 1 1       5   -7   22 o    7.113000      0.2326000       6.721000 0.3031000       7.506000      0.3530000     -0.7850000      0.4652000
  1 1 1       5   -7   23 o    11.83000      0.2010000       11.74000 0.2843000       11.92000      0.2844000     -0.1835000      0.4021000
  1 1 1       5   -7   24 o    12.57000      0.2095000       12.49000 0.2962000       12.65000      0.2963000     -0.1578000      0.4190000
  1 1 1       5   -7   25 o    3.872000      0.2933000       4.035000 0.3670000       3.710000      0.4577000      0.3247000      0.5867000
  1 1 1       5   -7   26 o    1.557000      0.4414000       1.393000 0.5867000       1.722000      0.6596000     -0.3295000      0.8828000
  1 1 1       5   -7   27 o    4.858000      0.2638000       4.866000 0.3546000       4.850000      0.3907000      0.1629000E-01  0.5276000
  1 1 1       5   -7   28 o    5.351000      0.2717000       5.392000 0.3494000       5.310000      0.4163000      0.8251000E-01  0.5434000
  1 1 1       5   -7   29 o    7.354000      0.2352000       7.222000 0.3227000       7.485000      0.3423000     -0.2626000      0.4704000
  1 1 1       5   -7   30 o    2.081000      0.4842000       2.611000 0.6800000       1.550000      0.6896000       1.061000      0.9685000
  1 1 1       5   -7   31 o    2.733000      0.4926000       3.370000 0.5921000       2.097000      0.7875000       1.273000      0.9853000
  1 1 1       5   -7   32 o    5.084000      0.3337000       5.230000 0.4465000       4.938000      0.4959000      0.2919000      0.6673000
  1 1 1       5   -7   33 o    4.408000      0.3877000       4.710000 0.4974000       4.106000      0.5948000      0.6048000      0.7754000
  1 1 1       5   -7   34 o    1.771000      0.5150000       1.496000 0.6769000       2.045000      0.7763000     -0.5489000       1.030000
  1 1 1       5   -7   35 o    1.801000      0.5230000       2.028000 0.7735000       1.574000      0.7041000      0.4540000       1.046000
  1 1 1       5   -7   36 f    1.932000      0.4775000       1.401000 0.6503000       2.463000      0.6995000      -1.063000      0.9551000
  1 1 1       5   -6    0 f    16.46000      0.3253000       16.72000 0.4666000       16.19000      0.4532000      0.5314000      0.6505000
  1 1 1       5   -6    1 o    23.03000      0.4434000       23.45000 0.6374000       22.61000      0.6165000      0.8310000      0.8868000
  1 1 1       5   -6    2 o    24.88000      0.4784000       24.54000 0.6659000       25.22000      0.6871000     -0.6808000      0.9568000
  1 1 1       5   -6    3 o    23.11000      0.3884000       22.47000 0.4337000       23.75000      0.6445000      -1.284000      0.7769000
  1 1 1       5   -6    4 o    16.16000      0.2816000       15.48000 0.3140000       16.84000      0.4676000      -1.360000      0.5632000
  1 1 1       5   -6    5 o    8.502000      0.1857000       8.250000 0.2493000       8.755000      0.2753000     -0.5051000      0.3714000
  1 1 1       5   -6    6 o    1.371000      0.4246000       1.399000 0.6240000       1.342000      0.5759000      0.5688000E-01  0.8491000
  1 1 1       5   -6    7 o    5.736000      0.2531000       5.343000 0.3252000       6.129000      0.3878000     -0.7861000      0.5061000
  1 1 1       5   -6    8 o    14.76000      0.2507000       15.40000 0.3920000       14.13000      0.3127000       1.271000      0.5015000
  1 1 1       5   -6    9 o    27.47000      0.3889000       27.47000 0.5698000       27.47000      0.5295000     -0.2499000E-02  0.7778000
  1 1 1       5   -6   10 o    15.07000      0.2228000       15.06000 0.3281000       15.08000      0.3016000     -0.2680000E-01  0.4456000
  1 1 1       5   -6   11 o    4.757000      0.1327000       4.810000 0.2016000       4.705000      0.1726000      0.1045000      0.2654000
  1 1 1       5   -6   12 o    7.144000      0.1279000       7.023000 0.1840000       7.264000      0.1776000     -0.2413000      0.2557000
  1 1 1       5   -6   13 o    5.171000      0.1246000       5.257000 0.1804000       5.086000      0.1720000      0.1715000      0.2492000
  1 1 1       5   -6   14 o    11.37000      0.1696000       11.54000 0.2429000       11.20000      0.2368000      0.3444000      0.3392000
  1 1 1       5   -6   15 o    2.477000      0.2269000       2.775000 0.2563000       2.179000      0.3744000      0.5958000      0.4538000
  1 1 1       5   -6   16 o    7.617000      0.1473000       7.617000 0.2109000       7.617000      0.2057000      0.2069000E-03  0.2946000
  1 1 1       5   -6   17 o    5.890000      0.2385000       6.178000 0.3632000       5.602000      0.3093000      0.5759000      0.4771000
  1 1 1       5   -6   18 o    13.66000      0.2964000       13.86000 0.4304000       13.45000      0.4075000      0.4130000      0.5927000
  1 1 1       5   -6   19 o    6.089000      0.2685000       5.907000 0.4121000       6.271000      0.3442000     -0.3639000      0.5369000
  1 1 1       5   -6   20 o    9.911000      0.1776000       10.08000 0.2532000       9.739000      0.2491000      0.3444000      0.3552000
  1 1 1       5   -6   21 o    13.33000      0.2087000       13.36000 0.2958000       13.30000      0.2946000      0.5453000E-01  0.4175000
  1 1 1       5   -6   22 o    5.172000      0.2479000       4.678000 0.3287000       5.667000      0.3710000     -0.9890000      0.4957000
  1 1 1       5   -6   23 o    6.392000      0.2466000       6.197000 0.3211000       6.586000      0.3743000     -0.3890000      0.4931000
  1 1 1       5   -6   24 o    3.885000      0.3611000       4.092000 0.3917000       3.677000      0.6068000      0.4151000      0.7223000
  1 1 1       5   -6   25 o    3.976000      0.2807000       4.236000 0.3554000       3.715000      0.4346000      0.5213000      0.5614000
  1 1 1       5   -6   26 o    2.010000      0.4592000       1.757000 0.6442000       2.262000      0.6546000     -0.5047000      0.9184000
  1 1 1       5   -6   27 o    9.471000      0.2086000       9.450000 0.2915000       9.492000      0.2985000     -0.4146000E-01  0.4172000
  1 1 1       5   -6   28 o    3.405000      0.4088000       4.075000 0.4319000       2.735000      0.6942000       1.340000      0.8176000
  1 1 1       5   -6   29 o    3.964000      0.3580000       3.522000 0.5139000       4.406000      0.4987000     -0.8840000      0.7160000
  1 1 1       5   -6   30 o    4.552000      0.3377000       4.780000 0.4300000       4.324000      0.5209000      0.4561000      0.6755000
  1 1 1       5   -6   31 f    2.416000      0.5356000       2.212000 0.7392000       2.619000      0.7753000     -0.4073000       1.071000
  1 1 1       5   -6   32 o    3.384000      0.4872000       2.751000 0.7536000       4.017000      0.6176000      -1.266000      0.9744000
  1 1 1       5   -6   33 o    2.503000      0.5588000       2.505000 0.7914000       2.501000      0.7892000      0.3797000E-02   1.118000
  1 1 1       5   -6   34 o    2.329000      0.5612000       2.567000 0.7937000       2.090000      0.7938000      0.4765000       1.122000
  1 1 1       5   -6   35 o    2.830000      0.5427000       3.210000 0.7127000       2.451000      0.8186000      0.7587000       1.085000
  1 1 1       5   -6   36 o    1.424000      0.4691000       1.337000 0.6330000       1.511000      0.6923000     -0.1734000      0.9381000
  1 1 1       5   -5    0 o    6.937000      0.1318000       7.014000 0.1867000       6.859000      0.1861000      0.1557000      0.2636000
  1 1 1       5   -5    1 o    18.96000      0.2607000       19.13000 0.3715000       18.80000      0.3659000      0.3286000      0.5214000
  1 1 1       5   -5    2 o    14.10000      0.1984000       14.18000 0.2816000       14.02000      0.2796000      0.1647000      0.3969000
  1 1 1       5   -5    3 o    6.963000      0.1282000       6.972000 0.1743000       6.954000      0.1882000      0.1784000E-01  0.2565000
  1 1 1       5   -5    4 o    15.81000      0.2255000       15.76000 0.3120000       15.86000      0.3255000     -0.1013000      0.4509000
  1 1 1       5   -5    5 o    6.560000      0.1593000       6.529000 0.2181000       6.591000      0.2323000     -0.6248000E-01  0.3186000
  1 1 1       5   -5    6 o    23.77000      0.4175000       24.08000 0.6721000       23.46000      0.4954000      0.6127000      0.8349000
  1 1 1       5   -5    7 o    16.77000      0.2613000       17.09000 0.3784000       16.44000      0.3605000      0.6484000      0.5226000
  1 1 1       5   -5    8 o    11.43000      0.2040000       11.66000 0.3117000       11.21000      0.2634000      0.4519000      0.4081000
  1 1 1       5   -5    9 o    16.38000      0.2774000       16.50000 0.4487000       16.26000      0.3264000      0.2325000      0.5549000
  1 1 1       5   -5   10 o    4.049000      0.1343000       4.072000 0.2041000       4.026000      0.1746000      0.4582000E-01  0.2686000
  1 1 1       5   -5   11 o    8.751000      0.1371000       8.800000 0.1987000       8.701000      0.1890000      0.9899000E-01  0.2742000
  1 1 1       5   -5   12 o    7.370000      0.1242000       7.404000 0.1795000       7.336000      0.1718000      0.6762000E-01  0.2485000
  1 1 1       5   -5   13 o    11.61000      0.1688000       11.63000 0.2397000       11.58000      0.2378000      0.5562000E-01  0.3376000
  1 1 1       5   -5   14 o    3.511000      0.1501000       3.528000 0.2043000       3.494000      0.2198000      0.3473000E-01  0.3001000
  1 1 1       5   -5   15 o    6.471000      0.1377000       6.457000 0.1930000       6.485000      0.1965000     -0.2760000E-01  0.2755000
  1 1 1       5   -5   16 o    15.03000      0.2158000       14.97000 0.3044000       15.10000      0.3061000     -0.1303000      0.4317000
  1 1 1       5   -5   17 o    4.676000      0.1620000       4.523000 0.2208000       4.828000      0.2372000     -0.3049000      0.3240000
  1 1 1       5   -5   18 o    9.152000      0.1643000       8.888000 0.2285000       9.417000      0.2362000     -0.5296000      0.3287000
  1 1 1       5   -5   19 o    4.075000      0.3247000       4.306000 0.4776000       3.844000      0.4400000      0.4620000      0.6494000
  1 1 1       5   -5   20 o    6.375000      0.2590000       6.285000 0.3874000       6.465000      0.3440000     -0.1805000      0.5181000
  1 1 1       5   -5   21 o    9.362000      0.1771000       9.416000 0.2511000       9.308000      0.2497000      0.1081000      0.3541000
  1 1 1       5   -5   22 o    8.178000      0.1779000       8.164000 0.2505000       8.192000      0.2526000     -0.2840000E-01  0.3558000
  1 1 1       5   -5   23 o    3.271000      0.3021000       3.092000 0.4349000       3.451000      0.4195000     -0.3590000      0.6042000
  1 1 1       5   -5   24 o    2.439000      0.4910000       2.522000 0.6143000       2.356000      0.7662000      0.1668000      0.9820000
  1 1 1       5   -5   26 o    5.667000      0.2296000       5.549000 0.3239000       5.785000      0.3256000     -0.2359000      0.4593000
  1 1 1       5   -5   27 o    12.94000      0.2237000       12.84000 0.3147000       13.03000      0.3179000     -0.1979000      0.4473000
  1 1 1       5   -5   28 o    5.896000      0.2505000       5.943000 0.3400000       5.850000      0.3681000      0.9349000E-01  0.5011000
  1 1 1       5   -5   29 o    5.382000      0.2804000       5.478000 0.3644000       5.286000      0.4262000      0.1919000      0.5607000
  1 1 1       5   -5   30 o    7.598000      0.2406000       7.425000 0.3361000       7.770000      0.3443000     -0.3458000      0.4812000
  1 1 1       5   -5   31 o    3.806000      0.4107000       3.715000 0.5573000       3.897000      0.6033000     -0.1816000      0.8213000
  1 1 1       5   -5   32 o    5.426000      0.3202000       5.550000 0.4267000       5.302000      0.4775000      0.2473000      0.6403000
  1 1 1       5   -5   33 o    7.609000      0.2622000       8.101000 0.3588000       7.117000      0.3826000      0.9841000      0.5245000
  1 1 1       5   -5   34 o    5.902000      0.3088000       6.169000 0.4173000       5.635000      0.4552000      0.5342000      0.6176000
  1 1 1       5   -5   35 o    6.158000      0.2990000       6.546000 0.4040000       5.771000      0.4408000      0.7757000      0.5979000
  1 1 1       5   -5   36 o    2.589000      0.5658000       2.306000 0.8100000       2.872000      0.7903000     -0.5661000       1.132000
  1 1 1       5   -5   37 o    1.975000      0.6060000       2.358000 0.9388000       1.592000      0.7665000      0.7659000       1.212000
  1 1 1       5   -4    0 o    13.69000      0.1963000       13.69000 0.2774000       13.69000      0.2778000      0.3561000E-02  0.3925000
  1 1 1       5   -4    1 o    13.46000      0.1920000       13.40000 0.2704000       13.53000      0.2727000     -0.1321000      0.3840000
  1 1 1       5   -4    2 o    40.38000      0.5406000       40.46000 0.7659000       40.30000      0.7631000      0.1601000       1.081000
  1 1 1       5   -4    3 o    27.15000      0.3658000       27.34000 0.5203000       26.96000      0.5143000      0.3835000      0.7316000
  1 1 1       5   -4    4 o    4.862000      0.1135000       4.830000 0.1560000       4.893000      0.1649000     -0.6305000E-01  0.2270000
  1 1 1       5   -4    5 o    2.563000      0.2095000       2.485000 0.3089000       2.641000      0.2830000     -0.1555000      0.4189000
  1 1 1       5   -4    6 o    19.92000      0.3915000       20.26000 0.5709000       19.59000      0.5360000      0.6716000      0.7831000
  1 1 1       5   -4    7 f    12.70000      0.2133000       12.63000 0.3053000       12.77000      0.2979000     -0.1400000      0.4266000
  1 1 1       5   -4    8 o    15.36000      0.2853000       14.80000 0.3606000       15.92000      0.4421000      -1.111000      0.5705000
  1 1 1       5   -4    9 o    19.72000      0.3766000       19.87000 0.5363000       19.58000      0.5289000      0.2888000      0.7532000
  1 1 1       5   -4   10 o    5.111000      0.1113000       5.075000 0.1670000       5.147000      0.1472000     -0.7174000E-01  0.2226000
  1 1 1       5   -4   11 o    2.535000      0.1470000       2.266000 0.2342000       2.804000      0.1778000     -0.5377000      0.2940000
  1 1 1       5   -4   12 o    9.974000      0.1477000       9.916000 0.2088000       10.03000      0.2089000     -0.1163000      0.2954000
  1 1 1       5   -4   13 o    8.337000      0.1354000       8.355000 0.1925000       8.319000      0.1904000      0.3600000E-01  0.2708000
  1 1 1       5   -4   14 f    4.240000      0.1386000       4.176000 0.1915000       4.303000      0.2005000     -0.1266000      0.2772000
  1 1 1       5   -4   15 o    11.50000      0.1733000       11.56000 0.2452000       11.44000      0.2449000      0.1250000      0.3466000
  1 1 1       5   -4   16 f    4.793000      0.1519000       4.465000 0.2167000       5.121000      0.2128000     -0.6563000      0.3037000
  1 1 1       5   -4   17 o    9.807000      0.1639000       9.973000 0.2324000       9.641000      0.2311000      0.3312000      0.3277000
  1 1 1       5   -4   18 o    8.679000      0.1609000       8.645000 0.2262000       8.713000      0.2290000     -0.6834000E-01  0.3219000
  1 1 1       5   -4   19 o    3.996000      0.2022000       4.143000 0.2668000       3.849000      0.3040000      0.2940000      0.4045000
  1 1 1       5   -4   20 o    5.770000      0.1800000       5.712000 0.2442000       5.827000      0.2645000     -0.1145000      0.3600000
  1 1 1       5   -4   21 o    4.164000      0.3651000       3.868000 0.5965000       4.460000      0.4211000     -0.5924000      0.7302000
  1 1 1       5   -4   22 o    7.761000      0.1732000       8.069000 0.2480000       7.454000      0.2419000      0.6146000      0.3464000
  1 1 1       5   -4   23 o    7.300000      0.1883000       7.233000 0.2625000       7.368000      0.2700000     -0.1353000      0.3765000
  1 1 1       5   -4   24 o    6.872000      0.1909000       6.672000 0.2678000       7.072000      0.2722000     -0.3999000      0.3818000
  1 1 1       5   -4   25 f    1.938000      0.5040000       1.498000 0.6244000       2.379000      0.7914000     -0.8813000       1.008000
  1 1 1       5   -4   26 o    15.74000      0.2441000       15.87000 0.3470000       15.60000      0.3433000      0.2700000      0.4881000
  1 1 1       5   -4   27 f    2.144000      0.4678000       2.240000 0.6479000       2.047000      0.6749000      0.1928000      0.9356000
  1 1 1       5   -4   28 o    17.45000      0.2671000       17.74000 0.3819000       17.16000      0.3735000      0.5807000      0.5342000
  1 1 1       5   -4   29 o    4.099000      0.3590000       4.698000 0.4044000       3.501000      0.5932000       1.197000      0.7179000
  1 1 1       5   -4   30 o    5.093000      0.3037000       5.193000 0.4184000       4.993000      0.4404000      0.1999000      0.6074000
  1 1 1       5   -4   31 o    4.160000      0.3755000       4.237000 0.4928000       4.083000      0.5666000      0.1549000      0.7509000
  1 1 1       5   -4   32 o    6.007000      0.2928000       6.193000 0.3864000       5.820000      0.4399000      0.3735000      0.5856000
  1 1 1       5   -4   33 o    5.998000      0.3078000       5.934000 0.4246000       6.061000      0.4458000     -0.1263000      0.6157000
  1 1 1       5   -4   34 o    4.609000      0.3913000       4.533000 0.5633000       4.685000      0.5433000     -0.1520000      0.7826000
  1 1 1       5   -4   35 o    2.746000      0.5503000       2.758000 0.7833000       2.734000      0.7731000      0.2402000E-01   1.101000
  1 1 1       5   -4   36 o    2.566000      0.5520000       2.829000 0.7579000       2.302000      0.8028000      0.5268000       1.104000
  1 1 1       5   -4   37 o    1.667000      0.7176000       1.667000 0.7176000                  ?              ?              ?              ?
  1 1 1       5   -3    0 o    12.88000      0.1863000       13.01000 0.2655000       12.74000      0.2613000      0.2648000      0.3725000
  1 1 1       5   -3    1 o    20.82000      0.2844000       20.81000 0.4021000       20.83000      0.4022000     -0.2400000E-01  0.5687000
  1 1 1       5   -3    2 o    26.66000      0.3594000       26.65000 0.5080000       26.67000      0.5087000     -0.2710000E-01  0.7189000
  1 1 1       5   -3    3 o    6.407000      0.1108000       6.512000 0.1561000       6.302000      0.1573000      0.2100000      0.2215000
  1 1 1       5   -3    4 o    17.23000      0.2352000       17.13000 0.3304000       17.34000      0.3350000     -0.2090000      0.4705000
  1 1 1       5   -3    5 o    24.15000      0.3280000       24.20000 0.4631000       24.11000      0.4647000      0.8866000E-01  0.6561000
  1 1 1       5   -3    6 o    14.89000      0.2715000       15.28000 0.4322000       14.49000      0.3285000      0.7915000      0.5429000
  1 1 1       5   -3    7 o    24.09000      0.3344000       23.99000 0.4741000       24.19000      0.4717000     -0.1952000      0.6688000
  1 1 1       5   -3    8 o    21.92000      0.4172000       21.93000 0.5894000       21.92000      0.5905000      0.1371000E-01  0.8343000
  1 1 1       5   -3    9 o    20.71000      0.4005000       20.71000 0.4005000                  ?              ?              ?              ?
  1 1 1       5   -3   10 o    13.49000      0.1862000       13.32000 0.2609000       13.66000      0.2657000     -0.3385000      0.3724000
  1 1 1       5   -3   11 o    14.34000      0.2801000                  ?       ?   14.34000      0.2801000                  ?              ?
  1 1 1       5   -3   12 o    11.79000      0.1693000       11.89000 0.2425000       11.70000      0.2363000      0.1848000      0.3386000
  1 1 1       5   -3   13 o    12.37000      0.1780000       12.50000 0.2545000       12.24000      0.2489000      0.2553000      0.3560000
  1 1 1       5   -3   14 o    3.341000      0.1588000       3.267000 0.2153000       3.414000      0.2335000     -0.1469000      0.3176000
  1 1 1       5   -3   15 o    11.73000      0.1752000       11.80000 0.2477000       11.67000      0.2477000      0.1245000      0.3503000
  1 1 1       5   -3   16 o    8.236000      0.1905000       7.983000 0.3150000       8.490000      0.2144000     -0.5075000      0.3810000
  1 1 1       5   -3   17 o    8.422000      0.1534000       8.352000 0.2148000       8.492000      0.2192000     -0.1404000      0.3068000
  1 1 1       5   -3   18 o    6.871000      0.1767000       6.970000 0.2734000       6.772000      0.2239000      0.1978000      0.3533000
  1 1 1       5   -3   19 f    3.773000      0.2173000       3.764000 0.2891000       3.783000      0.3246000     -0.1875000E-01  0.4347000
  1 1 1       5   -3   20 o    5.395000      0.1805000       5.371000 0.2463000       5.420000      0.2639000     -0.4925000E-01  0.3610000
  1 1 1       5   -3   21 o    10.49000      0.1838000       10.80000 0.2638000       10.19000      0.2560000      0.6042000      0.3676000
  1 1 1       5   -3   22 o    7.716000      0.2609000       7.670000 0.3900000       7.762000      0.3468000     -0.9214000E-01  0.5219000
  1 1 1       5   -3   23 o    7.122000      0.1872000       6.891000 0.2651000       7.354000      0.2644000     -0.4629000      0.3744000
  1 1 1       5   -3   24 o    8.305000      0.1864000       8.281000 0.2610000       8.328000      0.2663000     -0.4706000E-01  0.3728000
  1 1 1       5   -3   25 o    5.015000      0.3198000       4.630000 0.4265000       5.400000      0.4765000     -0.7701000      0.6395000
  1 1 1       5   -3   26 o    14.22000      0.3207000       13.77000 0.4328000       14.67000      0.4733000     -0.9059000      0.6413000
  1 1 1       5   -3   27 o    1.804000      0.4674000       1.628000 0.6425000       1.980000      0.6791000     -0.3513000      0.9348000
  1 1 1       5   -3   28 o    18.93000      0.2824000       19.03000 0.4009000       18.83000      0.3978000      0.1966000      0.5648000
  1 1 1       5   -3   29 o    3.754000      0.3981000       4.257000 0.4450000       3.250000      0.6601000       1.007000      0.7961000
  1 1 1       5   -3   30 o    6.597000      0.2507000       6.241000 0.3504000       6.953000      0.3586000     -0.7118000      0.5014000
  1 1 1       5   -3   31 o    1.591000      0.4806000       1.750000 0.7060000       1.432000      0.6522000      0.3180000      0.9612000
  1 1 1       5   -3   32 o    1.790000      0.5007000       2.161000 0.7560000       1.420000      0.6567000      0.7416000       1.001000
  1 1 1       5   -3   33 o    6.976000      0.2702000       6.748000 0.3811000       7.205000      0.3831000     -0.4576000      0.5404000
  1 1 1       5   -3   34 o    2.352000      0.5640000       2.562000 0.8090000       2.142000      0.7860000      0.4208000       1.128000
  1 1 1       5   -3   35 o    1.807000      0.5203000       1.610000 0.7060000       2.003000      0.7644000     -0.3923000       1.041000
  1 1 1       5   -3   36 o    4.466000      0.3843000       5.021000 0.4672000       3.910000      0.6102000       1.110000      0.7685000
  1 1 1       5   -3   37 o    5.225000      0.4747000       5.225000 0.4747000                  ?              ?              ?              ?
  1 1 1       5   -2    0 o    33.66000      0.4528000       33.52000 0.6376000       33.81000      0.6432000     -0.2950000      0.9057000
  1 1 1       5   -2    1 o    22.16000      0.3017000       22.27000 0.4280000       22.05000      0.4252000      0.2176000      0.6033000
  1 1 1       5   -2    2 o    17.09000      0.2348000       17.16000 0.3333000       17.03000      0.3307000      0.1235000      0.4695000
  1 1 1       5   -2    3 o    9.395000      0.1382000       9.390000 0.1955000       9.400000      0.1954000     -0.1044000E-01  0.2764000
  1 1 1       5   -2    4 f    20.79000      0.2805000       20.87000 0.3981000       20.70000      0.3953000      0.1654000      0.5610000
  1 1 1       5   -2    5 f    12.57000      0.2142000       12.21000 0.2392000       12.92000      0.3554000     -0.7117000      0.4285000
  1 1 1       5   -2    6 o    14.01000      0.3110000       14.29000 0.4052000       13.72000      0.4719000      0.5697000      0.6220000
  1 1 1       5   -2    7 o    16.72000      0.2377000       16.36000 0.3341000       17.08000      0.3381000     -0.7221000      0.4753000
  1 1 1       5   -2    8 o    14.73000      0.2601000       14.32000 0.3200000       15.14000      0.4101000     -0.8261000      0.5202000
  1 1 1       5   -2    9 o    9.441000      0.1871000                  ?       ?   9.441000      0.1871000                  ?              ?
  1 1 1       5   -2   10 o    17.48000      0.2371000       17.29000 0.3316000       17.68000      0.3391000     -0.3956000      0.4743000
  1 1 1       5   -2   11 o    16.02000      0.2191000       15.70000 0.3035000       16.34000      0.3162000     -0.6456000      0.4383000
  1 1 1       5   -2   12 o    9.849000      0.1467000       9.833000 0.2076000       9.866000      0.2074000     -0.3352000E-01  0.2934000
  1 1 1       5   -2   13 o    5.217000      0.1197000       5.241000 0.1647000       5.192000      0.1738000      0.4907000E-01  0.2394000
  1 1 1       5   -2   14 o    6.746000      0.1293000       6.740000 0.1782000       6.752000      0.1874000     -0.1249000E-01  0.2586000
  1 1 1       5   -2   15 o    2.959000      0.1877000       2.934000 0.2586000       2.984000      0.2723000     -0.5002000E-01  0.3755000
  1 1 1       5   -2   16 o    9.187000      0.1538000       9.171000 0.2171000       9.202000      0.2178000     -0.3069000E-01  0.3075000
  1 1 1       5   -2   17 o    1.891000      0.3276000       1.611000 0.4813000       2.171000      0.4447000     -0.5602000      0.6553000
  1 1 1       5   -2   18 o    6.401000      0.1533000       6.371000 0.2124000       6.430000      0.2211000     -0.5917000E-01  0.3066000
  1 1 1       5   -2   19 o    2.513000      0.3134000       3.190000 0.3217000       1.836000      0.5379000       1.355000      0.6267000
  1 1 1       5   -2   20 o    6.070000      0.1728000       5.961000 0.2400000       6.179000      0.2487000     -0.2177000      0.3456000
  1 1 1       5   -2   21 o    5.447000      0.1853000       5.458000 0.2639000       5.436000      0.2601000      0.2168000E-01  0.3706000
  1 1 1       5   -2   22 o    7.276000      0.2569000       7.535000 0.3720000       7.017000      0.3544000      0.5179000      0.5138000
  1 1 1       5   -2   23 o    10.24000      0.2660000       10.25000 0.3850000       10.23000      0.3673000      0.2376000E-01  0.5321000
  1 1 1       5   -2   24 o    4.297000      0.2490000       4.057000 0.3549000       4.537000      0.3495000     -0.4807000      0.4981000
  1 1 1       5   -2   25 o    6.215000      0.2326000       6.298000 0.3704000       6.133000      0.2814000      0.1649000      0.4652000
  1 1 1       5   -2   26 o    6.276000      0.3071000       6.711000 0.3695000       5.840000      0.4907000      0.8711000      0.6143000
  1 1 1       5   -2   27 o    4.884000      0.2510000       5.118000 0.3406000       4.649000      0.3689000      0.4691000      0.5021000
  1 1 1       5   -2   28 o    12.92000      0.2231000       12.86000 0.3130000       12.99000      0.3179000     -0.1318000      0.4462000
  1 1 1       5   -2   29 o    8.308000      0.2207000       7.990000 0.3098000       8.626000      0.3145000     -0.6355000      0.4415000
  1 1 1       5   -2   30 o    2.181000      0.5014000       1.920000 0.6951000       2.442000      0.7230000     -0.5226000       1.003000
  1 1 1       5   -2   31 o    4.224000      0.3593000       4.488000 0.4568000       3.959000      0.5547000      0.5288000      0.7185000
  1 1 1       5   -2   32 o    6.392000      0.2680000       6.410000 0.3593000       6.374000      0.3978000      0.3609000E-01  0.5360000
  1 1 1       5   -2   33 o    7.006000      0.2639000       7.027000 0.3699000       6.985000      0.3765000      0.4211000E-01  0.5278000
  1 1 1       5   -2   34 o    2.914000      0.5030000       3.598000 0.6302000       2.230000      0.7841000       1.369000       1.006000
  1 1 1       5   -2   35 o    2.856000      0.5105000       3.330000 0.6743000       2.382000      0.7666000      0.9482000       1.021000
  1 1 1       5   -2   36 o    3.407000      0.4723000       3.359000 0.6712000       3.456000      0.6646000     -0.9658000E-01  0.9446000
  1 1 1       5   -2   37 o    3.853000      0.4366000       4.653000 0.4985000       3.053000      0.7170000       1.600000      0.8732000
  1 1 1       5   -1    0 o    17.69000      0.2442000       17.72000 0.3460000       17.66000      0.3448000      0.6676000E-01  0.4885000
  1 1 1       5   -1    1 o    12.02000      0.1720000       11.98000 0.2428000       12.05000      0.2438000     -0.6530000E-01  0.3441000
  1 1 1       5   -1    2 o    21.28000      0.2885000       21.26000 0.4079000       21.30000      0.4083000     -0.4421000E-01  0.5771000
  1 1 1       5   -1    3 o    12.36000      0.2126000       12.50000 0.3490000       12.23000      0.2428000      0.2715000      0.4252000
  1 1 1       5   -1    4 o    10.78000      0.1857000       10.83000 0.3036000       10.74000      0.2138000      0.8748000E-01  0.3713000
  1 1 1       5   -1    5 o    14.39000      0.1956000       14.41000 0.2767000       14.36000      0.2766000      0.4958000E-01  0.3912000
  1 1 1       5   -1    6 o    11.33000      0.2493000       11.01000 0.3121000       11.66000      0.3890000     -0.6417000      0.4987000
  1 1 1       5   -1    7 o    13.51000      0.2275000       13.87000 0.3764000       13.14000      0.2556000      0.7269000      0.4549000
  1 1 1       5   -1    8 o    3.032000      0.1039000       3.272000 0.1620000       2.791000      0.1300000      0.4802000      0.2077000
  1 1 1       5   -1    9 o    23.19000      0.3812000       23.12000 0.6218000       23.26000      0.4410000     -0.1432000      0.7623000
  1 1 1       5   -1   10 o    17.52000      0.2880000       16.79000 0.4579000       18.26000      0.3494000      -1.472000      0.5760000
  1 1 1       5   -1   11 o    12.45000      0.1744000       12.28000 0.2442000       12.61000      0.2491000     -0.3308000      0.3488000
  1 1 1       5   -1   12 o    15.90000      0.2192000       15.99000 0.3114000       15.81000      0.3085000      0.1807000      0.4383000
  1 1 1       5   -1   13 o    7.120000      0.1243000       7.190000 0.1758000       7.050000      0.1759000      0.1403000      0.2487000
  1 1 1       5   -1   14 o    9.610000      0.1493000       9.603000 0.2103000       9.616000      0.2120000     -0.1283000E-01  0.2986000
  1 1 1       5   -1   15 o    14.96000      0.2116000       14.94000 0.2987000       14.97000      0.2999000     -0.2757000E-01  0.4232000
  1 1 1       5   -1   16 o    9.756000      0.1580000       9.621000 0.2209000       9.891000      0.2260000     -0.2702000      0.3161000
  1 1 1       5   -1   17 o    1.179000      0.3254000       1.393000 0.4904000      0.9645000      0.4280000      0.4283000      0.6509000
  1 1 1       5   -1   18 o    5.142000      0.1617000       5.114000 0.2235000       5.170000      0.2337000     -0.5588000E-01  0.3234000
  1 1 1       5   -1   19 o    4.190000      0.1962000       4.131000 0.2650000       4.248000      0.2895000     -0.1172000      0.3924000
  1 1 1       5   -1   20 o    1.434000      0.3719000       1.183000 0.4952000       1.685000      0.5550000     -0.5024000      0.7438000
  1 1 1       5   -1   21 o    5.160000      0.1892000       5.335000 0.2622000       4.984000      0.2727000      0.3510000      0.3783000
  1 1 1       5   -1   22 o    3.262000      0.3746000       3.464000 0.5237000       3.059000      0.5356000      0.4047000      0.7491000
  1 1 1       5   -1   23 o    7.992000      0.2518000       7.716000 0.3711000       8.267000      0.3406000     -0.5507000      0.5037000
  1 1 1       5   -1   24 o    2.278000      0.4093000       2.124000 0.6058000       2.431000      0.5507000     -0.3073000      0.8187000
  1 1 1       5   -1   25 o    13.16000      0.2158000       13.02000 0.3031000       13.30000      0.3072000     -0.2772000      0.4315000
  1 1 1       5   -1   26 o    3.456000      0.4663000       3.408000 0.5797000       3.504000      0.7306000     -0.9604000E-01  0.9326000
  1 1 1       5   -1   27 o    2.319000      0.4296000       2.740000 0.5758000       1.898000      0.6376000      0.8420000      0.8591000
  1 1 1       5   -1   28 o    5.213000      0.2541000       4.958000 0.3663000       5.467000      0.3522000     -0.5086000      0.5081000
  1 1 1       5   -1   29 o    18.55000      0.2796000       18.60000 0.3948000       18.51000      0.3960000      0.9180000E-01  0.5592000
  1 1 1       5   -1   30 o    2.721000      0.4225000       3.775000 0.4980000       1.666000      0.6828000       2.109000      0.8451000
  1 1 1       5   -1   31 o    1.805000      0.5012000       1.921000 0.7208000       1.688000      0.6966000      0.2323000       1.002000
  1 1 1       5   -1   32 o    7.621000      0.2505000       7.770000 0.3416000       7.472000      0.3666000      0.2978000      0.5011000
  1 1 1       5   -1   33 o    8.784000      0.2393000       9.006000 0.3384000       8.563000      0.3384000      0.4427000      0.4786000
  1 1 1       5   -1   34 o    7.254000      0.2628000       7.214000 0.3736000       7.295000      0.3697000     -0.8116000E-01  0.5256000
  1 1 1       5   -1   35 o    1.933000      0.5129000       1.469000 0.6589000       2.397000      0.7860000     -0.9277000       1.026000
  1 1 1       5   -1   36 o    4.260000      0.3969000       4.683000 0.4925000       3.837000      0.6226000      0.8457000      0.7938000
  1 1 1       5   -1   37 o    2.239000      0.5350000       1.857000 0.7507000       2.622000      0.7624000     -0.7643000       1.070000
  1 1 1       5    0    0 o    11.64000      0.1670000       11.69000 0.2371000       11.59000      0.2352000      0.1016000      0.3340000
  1 1 1       5    0    1 o    4.652000      0.1198000       4.749000 0.1956000       4.555000      0.1384000      0.1943000      0.2396000
  1 1 1       5    0    2 o    7.161000      0.1119000       7.357000 0.1606000       6.965000      0.1560000      0.3921000      0.2239000
  1 1 1       5    0    3 o    3.308000      0.8860000E-01   3.349000 0.1269000       3.267000      0.1237000      0.8198000E-01  0.1772000
  1 1 1       5    0    4 o    2.553000      0.1399000       2.501000 0.1995000       2.605000      0.1961000     -0.1043000      0.2797000
  1 1 1       5    0    5 o    13.40000      0.2234000       13.44000 0.3654000       13.36000      0.2573000      0.8050000E-01  0.4469000
  1 1 1       5    0    6 o    17.82000      0.3387000       17.18000 0.4610000       18.46000      0.4964000      -1.276000      0.6775000
  1 1 1       5    0    7 o    15.81000      0.4251000                  ?       ?   15.81000      0.4251000                  ?              ?
  1 1 1       5    0    8 f    19.74000      0.5291000                  ?       ?   19.74000      0.5291000                  ?              ?
  1 1 1       5    0    9 o    4.991000      0.1041000       4.749000 0.1692000       5.234000      0.1214000     -0.4848000      0.2082000
  1 1 1       5    0   10 o    10.83000      0.1853000       10.75000 0.3015000       10.90000      0.2155000     -0.1487000      0.3706000
  1 1 1       5    0   11 o    8.194000      0.1517000       8.169000 0.2470000       8.219000      0.1762000     -0.5019000E-01  0.3034000
  1 1 1       5    0   12 o    4.294000      0.1136000       4.067000 0.1638000       4.520000      0.1575000     -0.4521000      0.2273000
  1 1 1       5    0   13 o    7.830000      0.1580000       7.580000 0.1764000       8.080000      0.2621000     -0.4994000      0.3159000
  1 1 1       5    0   14 o    1.923000      0.2350000       1.907000 0.3211000       1.939000      0.3431000     -0.3248000E-01  0.4699000
  1 1 1       5    0   15 o    10.62000      0.1617000       10.69000 0.2284000       10.56000      0.2289000      0.1241000      0.3234000
  1 1 1       5    0   16 o    8.985000      0.1503000       8.978000 0.2098000       8.991000      0.2154000     -0.1241000E-01  0.3006000
  1 1 1       5    0   17 o    3.820000      0.1733000       4.049000 0.2326000       3.590000      0.2569000      0.4587000      0.3465000
  1 1 1       5    0   18 o    7.775000      0.1517000       7.843000 0.2114000       7.706000      0.2176000      0.1361000      0.3034000
  1 1 1       5    0   19 o    3.765000      0.2022000       3.623000 0.2912000       3.908000      0.2806000     -0.2845000      0.4044000
  1 1 1       5    0   20 o    4.362000      0.1928000       4.541000 0.2685000       4.184000      0.2769000      0.3569000      0.3857000
  1 1 1       5    0   21 o    5.216000      0.1833000       5.373000 0.2535000       5.060000      0.2647000      0.3132000      0.3665000
  1 1 1       5    0   22 o    7.813000      0.2408000       7.620000 0.3482000       8.006000      0.3327000     -0.3866000      0.4816000
  1 1 1       5    0   23 o    10.13000      0.2580000       10.12000 0.3705000       10.14000      0.3593000     -0.2508000E-01  0.5161000
  1 1 1       5    0   24 o    6.697000      0.1892000       6.700000 0.2659000       6.694000      0.2693000      0.5792000E-02  0.3784000
  1 1 1       5    0   25 o    11.33000      0.1981000       11.05000 0.2756000       11.61000      0.2848000     -0.5557000      0.3963000
  1 1 1       5    0   26 o    8.118000      0.2812000       8.278000 0.3730000       7.958000      0.4209000      0.3195000      0.5624000
  1 1 1       5    0   27 o    5.325000      0.2277000       5.437000 0.3164000       5.213000      0.3275000      0.2241000      0.4554000
  1 1 1       5    0   28 o    6.589000      0.2178000       6.737000 0.3035000       6.440000      0.3125000      0.2969000      0.4356000
  1 1 1       5    0   29 o    15.47000      0.2465000       15.42000 0.3449000       15.52000      0.3524000     -0.9758000E-01  0.4931000
  1 1 1       5    0   30 o    5.016000      0.2897000       4.778000 0.4170000       5.253000      0.4024000     -0.4748000      0.5795000
  1 1 1       5    0   31 o    3.897000      0.3708000       3.838000 0.5363000       3.956000      0.5121000     -0.1182000      0.7416000
  1 1 1       5    0   32 o    9.077000      0.2366000       9.254000 0.3293000       8.899000      0.3399000      0.3554000      0.4733000
  1 1 1       5    0   33 o    8.291000      0.2435000       8.086000 0.3462000       8.496000      0.3426000     -0.4095000      0.4870000
  1 1 1       5    0   34 o    6.815000      0.2678000       6.360000 0.3979000       7.271000      0.3584000     -0.9108000      0.5355000
  1 1 1       5    0   35 o    2.589000      0.5448000       2.787000 0.7595000       2.391000      0.7814000      0.3955000       1.090000
  1 1 1       5    0   36 o    3.095000      0.5009000       3.500000 0.6518000       2.690000      0.7606000      0.8105000       1.002000
  1 1 1       5    0   37 o    2.389000      0.5429000       2.269000 0.7839000       2.509000      0.7513000     -0.2401000       1.086000
  1 1 1       5    1    0 o    8.417000      0.1295000       8.360000 0.1821000       8.473000      0.1842000     -0.1134000      0.2590000
  1 1 1       5    1    1 o    13.27000      0.1852000       13.38000 0.2637000       13.17000      0.2601000      0.2079000      0.3704000
  1 1 1       5    1    2 o    5.371000      0.9610000E-01   5.437000 0.1362000       5.304000      0.1356000      0.1333000      0.1922000
  1 1 1       5    1    3 o    4.233000      0.1041000       4.388000 0.1689000       4.079000      0.1218000      0.3091000      0.2082000
  1 1 1       5    1    4 o    19.77000      0.3281000       20.17000 0.5430000       19.36000      0.3685000      0.8181000      0.6562000
  1 1 1       5    1    5 o    7.044000      0.2034000                  ?       ?   7.044000      0.2034000                  ?              ?
  1 1 1       5    1    9 o    16.41000      0.4436000                  ?       ?   16.41000      0.4436000                  ?              ?
  1 1 1       5    1   10 o    13.82000      0.3777000       13.82000 0.3777000                  ?              ?              ?              ?
  1 1 1       5    1   11 o    10.49000      0.1825000       10.50000 0.2974000       10.48000      0.2117000      0.1950000E-01  0.3650000
  1 1 1       5    1   12 o    18.02000      0.3477000                  ?       ?   18.02000      0.3477000                  ?              ?
  1 1 1       5    1   13 o    11.18000      0.1617000       11.29000 0.2303000       11.07000      0.2270000      0.2149000      0.3233000
  1 1 1       5    1   14 o    4.761000      0.1209000       4.786000 0.1710000       4.736000      0.1709000      0.4945000E-01  0.2418000
  1 1 1       5    1   15 o    7.114000      0.1306000       7.316000 0.1840000       6.912000      0.1853000      0.4038000      0.2611000
  1 1 1       5    1   16 o    8.019000      0.1411000       7.881000 0.1957000       8.156000      0.2032000     -0.2750000      0.2821000
  1 1 1       5    1   17 f    12.82000      0.1904000       12.60000 0.2654000       13.04000      0.2731000     -0.4357000      0.3808000
  1 1 1       5    1   18 o    5.855000      0.1473000       5.818000 0.2044000       5.893000      0.2120000     -0.7572000E-01  0.2945000
  1 1 1       5    1   19 o    6.603000      0.1811000       6.481000 0.2148000       6.725000      0.2916000     -0.2443000      0.3622000
  1 1 1       5    1   20 f    2.633000      0.2865000       3.045000 0.3488000       2.220000      0.4546000      0.8250000      0.5730000
  1 1 1       5    1   21 f    5.457000      0.1792000       5.342000 0.2559000       5.573000      0.2510000     -0.2305000      0.3585000
  1 1 1       5    1   22 o    7.642000      0.2317000       7.460000 0.3346000       7.824000      0.3206000     -0.3644000      0.4634000
  1 1 1       5    1   23 o    1.985000      0.4771000       2.159000 0.6893000       1.811000      0.6600000      0.3476000      0.9543000
  1 1 1       5    1   24 o    13.63000      0.2163000       13.61000 0.3052000       13.65000      0.3065000     -0.3742000E-01  0.4326000
  1 1 1       5    1   25 o    6.774000      0.2860000       6.578000 0.3835000       6.970000      0.4245000     -0.3917000      0.5721000
  1 1 1       5    1   26 o    6.772000      0.2949000       6.935000 0.3947000       6.608000      0.4384000      0.3268000      0.5899000
  1 1 1       5    1   27 o    9.260000      0.1974000       9.196000 0.2773000       9.324000      0.2811000     -0.1275000      0.3949000
  1 1 1       5    1   28 o    5.747000      0.2275000       5.467000 0.3363000       6.028000      0.3065000     -0.5614000      0.4550000
  1 1 1       5    1   29 o    5.846000      0.2422000       5.902000 0.3345000       5.791000      0.3504000      0.1112000      0.4845000
  1 1 1       5    1   30 o    4.466000      0.3024000       4.277000 0.4268000       4.655000      0.4285000     -0.3779000      0.6048000
  1 1 1       5    1   31 o    10.08000      0.2203000       10.42000 0.3127000       9.729000      0.3103000      0.6924000      0.4405000
  1 1 1       5    1   32 o    5.623000      0.2832000       5.731000 0.3948000       5.516000      0.4061000      0.2157000      0.5664000
  1 1 1       5    1   33 o    5.735000      0.2932000       5.564000 0.4167000       5.906000      0.4126000     -0.3416000      0.5864000
  1 1 1       5    1   34 o    9.727000      0.2352000       9.894000 0.3394000       9.559000      0.3258000      0.3348000      0.4704000
  1 1 1       5    1   35 o    2.309000      0.5098000       2.963000 0.7361000       1.655000      0.7055000       1.309000       1.020000
  1 1 1       5    1   36 o    2.629000      0.5077000       1.936000 0.7569000       3.321000      0.6767000      -1.385000       1.015000
  1 1 1       5    1   37 o    1.990000      0.5354000       2.132000 0.7811000       1.848000      0.7325000      0.2845000       1.071000
  1 1 1       5    2    0 o    7.064000      0.1171000       6.936000 0.1632000       7.193000      0.1679000     -0.2577000      0.2341000
  1 1 1       5    2    1 o    10.37000      0.1497000       10.30000 0.2102000       10.43000      0.2132000     -0.1328000      0.2994000
  1 1 1       5    2    2 o    17.26000      0.2350000       17.20000 0.3312000       17.32000      0.3334000     -0.1285000      0.4699000
  1 1 1       5    2    3 o    17.70000      0.2952000       17.95000 0.4864000       17.45000      0.3345000      0.5040000      0.5903000
  1 1 1       5    2    4 o    1.986000      0.1246000       1.907000 0.2004000       2.066000      0.1481000     -0.1591000      0.2492000
  1 1 1       5    2    5 o    5.635000      0.1225000       5.506000 0.1685000       5.764000      0.1778000     -0.2588000      0.2449000
  1 1 1       5    2    6 o    4.414000      0.1329000                  ?       ?   4.414000      0.1329000                  ?              ?
  1 1 1       5    2    7 o    8.310000      0.2291000                  ?       ?   8.310000      0.2291000                  ?              ?
  1 1 1       5    2    8 o    3.183000      0.1407000                  ?       ?   3.183000      0.1407000                  ?              ?
  1 1 1       5    2    9 o    14.48000      0.2771000       14.23000 0.3850000       14.74000      0.3987000     -0.5036000      0.5543000
  1 1 1       5    2   10 o    4.947000      0.1745000       4.947000 0.1745000                  ?              ?              ?              ?
  1 1 1       5    2   11 o    31.42000      0.5190000       31.93000 0.8562000       30.92000      0.5868000       1.011000       1.038000
  1 1 1       5    2   13 o    5.013000      0.1410000       5.233000 0.1586000       4.792000      0.2333000      0.4409000      0.2821000
  1 1 1       5    2   14 o    7.407000      0.1309000       7.803000 0.1852000       7.012000      0.1851000      0.7912000      0.2619000
  1 1 1       5    2   15 o    2.240000      0.2254000       2.265000 0.2837000       2.215000      0.3504000      0.5035000E-01  0.4509000
  1 1 1       5    2   16 o    10.30000      0.1606000       10.28000 0.2256000       10.33000      0.2288000     -0.5212000E-01  0.3213000
  1 1 1       5    2   17 o    11.22000      0.1731000       11.25000 0.2436000       11.19000      0.2460000      0.6081000E-01  0.3462000
  1 1 1       5    2   18 f    5.342000      0.1505000       5.483000 0.2105000       5.202000      0.2153000      0.2815000      0.3011000
  1 1 1       5    2   19 o    5.526000      0.1568000       5.498000 0.2191000       5.554000      0.2242000     -0.5605000E-01  0.3135000
  1 1 1       5    2   20 o    2.642000      0.2825000       3.134000 0.3291000       2.149000      0.4593000      0.9848000      0.5651000
  1 1 1       5    2   21 o    3.319000      0.2402000       3.328000 0.3451000       3.310000      0.3341000      0.1800000E-01  0.4804000
  1 1 1       5    2   22 o    3.690000      0.2885000       3.851000 0.4281000       3.530000      0.3868000      0.3206000      0.5769000
  1 1 1       5    2   23 o    4.214000      0.2309000       4.429000 0.3044000       3.999000      0.3472000      0.4298000      0.4618000
  1 1 1       5    2   24 o    11.99000      0.2009000       11.90000 0.2824000       12.07000      0.2858000     -0.1658000      0.4018000
  1 1 1       5    2   25 o    7.948000      0.2795000       7.586000 0.3903000       8.310000      0.4003000     -0.7236000      0.5590000
  1 1 1       5    2   26 o    7.335000      0.1914000       7.421000 0.2707000       7.248000      0.2706000      0.1732000      0.3827000
  1 1 1       5    2   27 o    6.320000      0.2076000       6.061000 0.2987000       6.580000      0.2884000     -0.5189000      0.4152000
  1 1 1       5    2   28 o    3.493000      0.3421000       3.936000 0.4339000       3.050000      0.5290000      0.8862000      0.6841000
  1 1 1       5    2   29 o    11.63000      0.2151000       11.44000 0.2983000       11.83000      0.3099000     -0.3938000      0.4301000
  1 1 1       5    2   30 o    9.511000      0.2107000       9.706000 0.2931000       9.316000      0.3028000      0.3900000      0.4214000
  1 1 1       5    2   31 o    8.383000      0.2206000       8.348000 0.3093000       8.418000      0.3148000     -0.6988000E-01  0.4413000
  1 1 1       5    2   32 o    2.867000      0.4776000       2.955000 0.6685000       2.778000      0.6824000      0.1776000      0.9553000
  1 1 1       5    2   33 o    4.482000      0.3399000       4.289000 0.4955000       4.675000      0.4653000     -0.3857000      0.6798000
  1 1 1       5    2   34 o    5.834000      0.2884000       5.628000 0.4209000       6.040000      0.3944000     -0.4121000      0.5768000
  1 1 1       5    2   35 o    6.405000      0.2755000       6.552000 0.3862000       6.259000      0.3929000      0.2932000      0.5509000
  1 1 1       5    2   36 o    1.868000      0.5208000       2.031000 0.7617000       1.704000      0.7105000      0.3273000       1.042000
  1 1 1       5    2   37 o    1.696000      0.4951000       2.030000 0.7662000       1.362000      0.6272000      0.6678000      0.9901000
  1 1 1       5    3    0 o    10.25000      0.1508000       9.983000 0.2088000       10.52000      0.2178000     -0.5419000      0.3017000
  1 1 1       5    3    1 o    8.226000      0.1268000       8.196000 0.1786000       8.257000      0.1801000     -0.6126000E-01  0.2536000
  1 1 1       5    3    2 o    10.78000      0.1537000       10.77000 0.2168000       10.78000      0.2179000     -0.1581000E-01  0.3074000
  1 1 1       5    3    3 o    14.46000      0.1984000       14.40000 0.2794000       14.52000      0.2817000     -0.1271000      0.3967000
  1 1 1       5    3    4 o    6.557000      0.1424000       6.382000 0.1988000       6.732000      0.2039000     -0.3499000      0.2847000
  1 1 1       5    3    5 o    7.901000      0.1387000       7.856000 0.2259000       7.945000      0.1608000     -0.8921000E-01  0.2773000
  1 1 1       5    3    6 o    9.516000      0.1636000       9.713000 0.2664000       9.318000      0.1901000      0.3949000      0.3272000
  1 1 1       5    3    7 o    20.65000      0.3481000       21.30000 0.5816000       20.00000      0.3825000       1.294000      0.6961000
  1 1 1       5    3    9 o    6.570000      0.1234000       6.698000 0.2013000       6.443000      0.1428000      0.2548000      0.2468000
  1 1 1       5    3   10 o    14.06000      0.1931000       14.25000 0.2765000       13.87000      0.2698000      0.3726000      0.3863000
  1 1 1       5    3   11 o    14.37000      0.1994000       14.19000 0.2795000       14.55000      0.2845000     -0.3562000      0.3988000
  1 1 1       5    3   12 o    6.901000      0.1665000       6.634000 0.2270000       7.168000      0.2436000     -0.5341000      0.3330000
  1 1 1       5    3   13 o    15.90000      0.2214000       15.94000 0.3130000       15.86000      0.3132000      0.8494000E-01  0.4428000
  1 1 1       5    3   14 o    8.876000      0.1757000       8.876000 0.1984000       8.877000      0.2900000     -0.1592000E-02  0.3514000
  1 1 1       5    3   15 o    14.53000      0.2073000       14.68000 0.2939000       14.39000      0.2925000      0.2900000      0.4147000
  1 1 1       5    3   16 f    11.33000      0.1732000       11.34000 0.2421000       11.33000      0.2479000      0.1144000E-01  0.3465000
  1 1 1       5    3   17 o    14.52000      0.2109000       14.99000 0.3033000       14.04000      0.2930000      0.9498000      0.4217000
  1 1 1       5    3   18 o    8.504000      0.1596000       8.889000 0.2214000       8.120000      0.2299000      0.7696000      0.3192000
  1 1 1       5    3   19 o    5.327000      0.1686000       5.192000 0.2197000       5.462000      0.2559000     -0.2702000      0.3373000
  1 1 1       5    3   20 o    6.203000      0.1704000       6.452000 0.2204000       5.955000      0.2599000      0.4967000      0.3408000
  1 1 1       5    3   21 o    8.544000      0.2446000       8.775000 0.3220000       8.312000      0.3683000      0.4636000      0.4892000
  1 1 1       5    3   22 o    8.551000      0.2213000       8.120000 0.2427000       8.982000      0.3700000     -0.8624000      0.4425000
  1 1 1       5    3   23 o    9.564000      0.1872000       9.405000 0.2543000       9.723000      0.2749000     -0.3180000      0.3745000
  1 1 1       5    3   24 o    10.08000      0.2764000       10.26000 0.3891000       9.898000      0.3926000      0.3657000      0.5528000
  1 1 1       5    3   25 o    1.442000      0.4601000       1.285000 0.6028000       1.598000      0.6952000     -0.3127000      0.9201000
  1 1 1       5    3   26 o    7.818000      0.2033000       7.556000 0.2727000       8.079000      0.3016000     -0.5231000      0.4066000
  1 1 1       5    3   27 o    5.069000      0.2686000       5.544000 0.3214000       4.595000      0.4304000      0.9494000      0.5372000
  1 1 1       5    3   28 o    3.240000      0.3924000       3.099000 0.5332000       3.382000      0.5759000     -0.2834000      0.7849000
  1 1 1       5    3   29 o    9.481000      0.2192000       9.385000 0.2907000       9.576000      0.3281000     -0.1913000      0.4384000
  1 1 1       5    3   30 o    6.411000      0.2536000       6.544000 0.3208000       6.278000      0.3927000      0.2664000      0.5071000
  1 1 1       5    3   31 o    6.226000      0.2766000       5.959000 0.3714000       6.493000      0.4099000     -0.5339000      0.5532000
  1 1 1       5    3   32 o    4.692000      0.3692000       4.768000 0.4519000       4.616000      0.5840000      0.1522000      0.7384000
  1 1 1       5    3   33 o    2.405000      0.5543000       1.989000 0.7414000       2.822000      0.8244000     -0.8331000       1.109000
  1 1 1       5    3   34 o    5.641000      0.3471000       6.136000 0.3977000       5.146000      0.5689000      0.9902000      0.6941000
  1 1 1       5    3   35 o    3.324000      0.5206000       3.584000 0.6072000       3.063000      0.8458000      0.5204000       1.041000
  1 1 1       5    3   36 o    1.747000      0.5143000       1.449000 0.6516000       2.045000      0.7958000     -0.5952000       1.029000
  1 1 1       5    3   37 o    3.642000      0.4641000       3.639000 0.6497000       3.645000      0.6630000     -0.5651000E-02  0.9283000
  1 1 1       5    4    0 o    5.241000      0.1132000       5.237000 0.1597000       5.246000      0.1605000     -0.9348000E-02  0.2264000
  1 1 1       5    4    1 o    11.31000      0.1631000       11.40000 0.2316000       11.21000      0.2296000      0.1959000      0.3261000
  1 1 1       5    4    2 o    8.954000      0.1342000       8.961000 0.1898000       8.946000      0.1899000      0.1491000E-01  0.2685000
  1 1 1       5    4    3 o    1.936000      0.1457000       1.991000 0.1997000       1.881000      0.2123000      0.1095000      0.2914000
  1 1 1       5    4    4 o    6.476000      0.1029000       6.460000 0.1439000       6.491000      0.1470000     -0.3091000E-01  0.2057000
  1 1 1       5    4    5 o    18.85000      0.2537000       18.62000 0.3542000       19.09000      0.3633000     -0.4716000      0.5074000
  1 1 1       5    4    6 o    2.478000      0.1481000       2.316000 0.2529000       2.640000      0.1542000     -0.3245000      0.2962000
  1 1 1       5    4    7 o    27.45000      0.4585000       28.35000 0.7629000       26.54000      0.5088000       1.814000      0.9169000
  1 1 1       5    4    8 o    12.63000      0.2468000       12.26000 0.3380000       12.99000      0.3597000     -0.7321000      0.4936000
  1 1 1       5    4    9 o    6.426000      0.1331000       6.605000 0.1554000       6.247000      0.2161000      0.3583000      0.2662000
  1 1 1       5    4   10 o    23.31000      0.3142000       23.37000 0.4458000       23.25000      0.4427000      0.1289000      0.6283000
  1 1 1       5    4   11 o    11.81000      0.2016000       11.41000 0.3213000       12.21000      0.2434000     -0.7948000      0.4031000
  1 1 1       5    4   12 f    11.84000      0.1708000       11.85000 0.2425000       11.83000      0.2407000      0.2585000E-01  0.3416000
  1 1 1       5    4   13 o    16.05000      0.2238000       16.06000 0.3169000       16.04000      0.3162000      0.2092000E-01  0.4477000
  1 1 1       5    4   14 f    11.66000      0.1736000       11.64000 0.2451000       11.68000      0.2460000     -0.4753000E-01  0.3473000
  1 1 1       5    4   15 o    18.09000      0.2512000       18.11000 0.3548000       18.06000      0.3558000      0.5120000E-01  0.5025000
  1 1 1       5    4   16 o    16.40000      0.2320000       16.37000 0.3261000       16.44000      0.3300000     -0.6727000E-01  0.4640000
  1 1 1       5    4   17 o    5.749000      0.1477000       5.838000 0.1940000       5.660000      0.2229000      0.1784000      0.2954000
  1 1 1       5    4   18 o    2.182000      0.3036000       1.902000 0.4409000       2.462000      0.4175000     -0.5601000      0.6072000
  1 1 1       5    4   19 o    9.905000      0.1723000       9.790000 0.2353000       10.02000      0.2516000     -0.2294000      0.3445000
  1 1 1       5    4   20 o    4.364000      0.2723000       4.197000 0.3398000       4.532000      0.4257000     -0.3350000      0.5447000
  1 1 1       5    4   21 o    6.934000      0.1980000       6.563000 0.3105000       7.304000      0.2458000     -0.7414000      0.3960000
  1 1 1       5    4   22 o    20.97000      0.2973000       20.67000 0.4131000       21.28000      0.4278000     -0.6157000      0.5947000
  1 1 1       5    4   23 o    7.754000      0.2599000       7.776000 0.3601000       7.731000      0.3748000      0.4519000E-01  0.5197000
  1 1 1       5    4   24 o    3.032000      0.4646000       2.505000 0.7361000       3.560000      0.5672000      -1.056000      0.9293000
  1 1 1       5    4   25 o    9.409000      0.1941000       9.112000 0.2641000       9.706000      0.2845000     -0.5948000      0.3882000
  1 1 1       5    4   26 o    12.53000      0.2168000       12.79000 0.3006000       12.27000      0.3124000      0.5202000      0.4335000
  1 1 1       5    4   27 o    6.416000      0.2304000       6.503000 0.2904000       6.330000      0.3578000      0.1724000      0.4608000
  1 1 1       5    4   28 o    3.422000      0.3731000       3.038000 0.5270000       3.805000      0.5284000     -0.7679000      0.7463000
  1 1 1       5    4   29 o    1.548000      0.4529000       1.744000 0.6555000       1.351000      0.6250000      0.3928000      0.9057000
  1 1 1       5    4   30 o    4.129000      0.3672000       4.168000 0.4674000       4.091000      0.5663000      0.7702000E-01  0.7343000
  1 1 1       5    4   31 f    4.961000      0.3287000       4.834000 0.4283000       5.088000      0.4988000     -0.2541000      0.6574000
  1 1 1       5    4   32 o    4.465000      0.3777000       4.487000 0.4454000       4.443000      0.6100000      0.4428000E-01  0.7553000
  1 1 1       5    4   33 o    2.883000      0.5467000       3.032000 0.6938000       2.734000      0.8451000      0.2981000       1.093000
  1 1 1       5    4   34 o    6.005000      0.3162000       5.529000 0.4201000       6.482000      0.4727000     -0.9531000      0.6324000
  1 1 1       5    4   35 o    2.845000      0.5502000       3.099000 0.7131000       2.592000      0.8381000      0.5078000       1.100000
  1 1 1       5    4   36 o    2.900000      0.5308000       2.322000 0.7561000       3.479000      0.7452000      -1.157000       1.062000
  1 1 1       5    4   37 o    2.617000      0.5616000       3.487000 0.7994000       1.748000      0.7889000       1.740000       1.123000
  1 1 1       5    5    0 o    15.80000      0.2201000       15.80000 0.3113000       15.80000      0.3111000      0.8268000E-03  0.4401000
  1 1 1       5    5    1 o    17.07000      0.2352000       17.06000 0.3323000       17.08000      0.3330000     -0.1938000E-01  0.4704000
  1 1 1       5    5    2 f    14.38000      0.2002000       14.47000 0.2848000       14.28000      0.2814000      0.1852000      0.4004000
  1 1 1       5    5    3 o    15.72000      0.2155000       15.67000 0.3037000       15.77000      0.3058000     -0.1034000      0.4310000
  1 1 1       5    5    4 o    10.38000      0.1462000       10.38000 0.2064000       10.38000      0.2071000     -0.2943000E-02  0.2924000
  1 1 1       5    5    5 o    11.89000      0.1655000       11.91000 0.2330000       11.86000      0.2350000      0.4652000E-01  0.3309000
  1 1 1       5    5    6 o    12.22000      0.1891000       12.15000 0.2453000       12.28000      0.2879000     -0.1310000      0.3782000
  1 1 1       5    5    7 o    9.558000      0.1829000       9.567000 0.2671000       9.548000      0.2500000      0.1877000E-01  0.3659000
  1 1 1       5    5    8 o    26.96000      0.5311000       26.98000 0.7707000       26.94000      0.7309000      0.3969000E-01   1.062000
  1 1 1       5    5    9 o    12.35000      0.2178000       11.97000 0.2540000       12.73000      0.3539000     -0.7579000      0.4356000
  1 1 1       5    5   10 o    11.43000      0.1638000       11.55000 0.2344000       11.32000      0.2288000      0.2365000      0.3275000
  1 1 1       5    5   11 f    18.57000      0.2533000       18.98000 0.3663000       18.16000      0.3499000      0.8195000      0.5066000
  1 1 1       5    5   12 o    6.979000      0.1452000       7.025000 0.2335000       6.933000      0.1727000      0.9273000E-01  0.2904000
  1 1 1       5    5   13 o    10.92000      0.2306000                  ?       ?   10.92000      0.2306000                  ?              ?
  1 1 1       5    5   14 o    13.08000      0.1897000       13.07000 0.2688000       13.09000      0.2677000     -0.1721000E-01  0.3794000
  1 1 1       5    5   15 o    10.96000      0.1691000       11.01000 0.2410000       10.92000      0.2372000      0.9637000E-01  0.3381000
  1 1 1       5    5   16 o    4.868000      0.1739000       4.647000 0.2761000       5.090000      0.2117000     -0.4431000      0.3479000
  1 1 1       5    5   17 o    5.492000      0.1544000       5.556000 0.2130000       5.429000      0.2236000      0.1262000      0.3088000
  1 1 1       5    5   18 o    4.492000      0.1683000       4.416000 0.2247000       4.568000      0.2507000     -0.1523000      0.3367000
  1 1 1       5    5   19 f    4.843000      0.2330000       5.071000 0.2956000       4.615000      0.3603000      0.4555000      0.4660000
  1 1 1       5    5   20 o    8.352000      0.1684000       8.339000 0.2294000       8.364000      0.2465000     -0.2513000E-01  0.3367000
  1 1 1       5    5   21 o    5.273000      0.1860000       4.751000 0.2606000       5.794000      0.2655000      -1.044000      0.3721000
  1 1 1       5    5   22 o    7.561000      0.2542000       7.704000 0.3472000       7.418000      0.3713000      0.2862000      0.5084000
  1 1 1       5    5   23 o    13.95000      0.3134000       14.01000 0.4416000       13.89000      0.4447000      0.1184000      0.6267000
  1 1 1       5    5   24 o    11.16000      0.1999000       11.53000 0.2800000       10.79000      0.2855000      0.7423000      0.3999000
  1 1 1       5    5   25 o    10.36000      0.1983000       9.951000 0.2696000       10.77000      0.2907000     -0.8170000      0.3965000
  1 1 1       5    5   26 o    2.631000      0.3791000       3.539000 0.3994000       1.723000      0.6446000       1.816000      0.7583000
  1 1 1       5    5   27 o    9.079000      0.2050000       9.218000 0.2714000       8.940000      0.3073000      0.2783000      0.4100000
  1 1 1       5    5   28 o    4.517000      0.2891000       4.160000 0.3870000       4.873000      0.4295000     -0.7135000      0.5782000
  1 1 1       5    5   29 o    2.522000      0.4958000       2.433000 0.6617000       2.612000      0.7385000     -0.1795000      0.9916000
  1 1 1       5    5   30 o    9.078000      0.2266000       9.254000 0.2966000       8.901000      0.3427000      0.3533000      0.4532000
  1 1 1       5    5   31 o    3.356000      0.4649000       3.359000 0.5711000       3.352000      0.7338000      0.7302000E-02  0.9298000
  1 1 1       5    5   32 f    7.122000      0.2651000       7.061000 0.3404000       7.183000      0.4064000     -0.1226000      0.5301000
  1 1 1       5    5   33 o    3.849000      0.4308000       3.390000 0.5909000       4.307000      0.6271000     -0.9167000      0.8616000
  1 1 1       5    5   34 o    2.606000      0.5729000       2.697000 0.7522000       2.514000      0.8644000      0.1828000       1.146000
  1 1 1       5    5   35 o    4.556000      0.3863000       4.545000 0.5190000       4.566000      0.5723000     -0.2053000E-01  0.7725000
  1 1 1       5    5   36 o    2.049000      0.5950000       2.135000 0.8270000       1.962000      0.8557000      0.1732000       1.190000
  1 1 1       5    5   37 f    3.022000      0.6321000       2.795000 0.8848000       3.249000      0.9029000     -0.4535000       1.264000
  1 1 1       5    6    0 o    33.85000      0.4549000       34.02000 0.6465000       33.68000      0.6401000      0.3322000      0.9098000
  1 1 1       5    6    1 o    14.73000      0.2062000       14.61000 0.2898000       14.84000      0.2934000     -0.2277000      0.4124000
  1 1 1       5    6    2 o    15.71000      0.2170000       15.58000 0.3043000       15.83000      0.3094000     -0.2504000      0.4340000
  1 1 1       5    6    3 o    5.016000      0.1001000       5.092000 0.1409000       4.939000      0.1422000      0.1530000      0.2002000
  1 1 1       5    6    4 f    17.17000      0.2333000       17.16000 0.3292000       17.19000      0.3308000     -0.2830000E-01  0.4667000
  1 1 1       5    6    5 f    16.03000      0.2720000       16.39000 0.3165000       15.66000      0.4424000      0.7334000      0.5439000
  1 1 1       5    6    6 o    23.05000      0.3240000       22.41000 0.4344000       23.68000      0.4809000      -1.266000      0.6480000
  1 1 1       5    6    7 o    13.92000      0.3240000       14.59000 0.3477000       13.25000      0.5469000       1.346000      0.6481000
  1 1 1       5    6    8 o    27.04000      0.5186000       27.07000 0.7302000       27.01000      0.7366000      0.5195000E-01   1.037000
  1 1 1       5    6    9 o    15.50000      0.3253000       15.19000 0.4731000       15.80000      0.4467000     -0.6041000      0.6507000
  1 1 1       5    6   10 o    22.00000      0.3661000       22.17000 0.6000000       21.84000      0.4198000      0.3353000      0.7323000
  1 1 1       5    6   11 o    6.527000      0.1763000       6.527000 0.1763000                  ?              ?              ?              ?
  1 1 1       5    6   12 o    9.136000      0.1425000       9.157000 0.2027000       9.115000      0.2005000      0.4111000E-01  0.2851000
  1 1 1       5    6   13 o    11.67000      0.2422000                  ?       ?   11.67000      0.2422000                  ?              ?
  1 1 1       5    6   14 o    11.23000      0.1694000       11.17000 0.2396000       11.30000      0.2396000     -0.1273000      0.3388000
  1 1 1       5    6   15 o    13.54000      0.1977000       13.63000 0.2822000       13.44000      0.2770000      0.1901000      0.3954000
  1 1 1       5    6   16 f    5.183000      0.1496000       5.491000 0.2055000       4.876000      0.2174000      0.6144000      0.2992000
  1 1 1       5    6   17 o    4.147000      0.2257000       3.845000 0.3121000       4.450000      0.3261000     -0.6053000      0.4513000
  1 1 1       5    6   18 f    8.490000      0.2139000       8.143000 0.2920000       8.836000      0.3126000     -0.6936000      0.4277000
  1 1 1       5    6   19 f    8.837000      0.1682000       9.007000 0.2421000       8.668000      0.2335000      0.3387000      0.3364000
  1 1 1       5    6   20 o    8.398000      0.1664000       8.297000 0.2274000       8.499000      0.2431000     -0.2021000      0.3329000
  1 1 1       5    6   21 o    6.011000      0.2548000       6.368000 0.3399000       5.655000      0.3798000      0.7135000      0.5097000
  1 1 1       5    6   22 o    3.154000      0.4349000       2.857000 0.6312000       3.452000      0.5985000     -0.5951000      0.8698000
  1 1 1       5    6   23 o    10.56000      0.1906000       10.63000 0.2649000       10.48000      0.2742000      0.1536000      0.3813000
  1 1 1       5    6   24 o    8.359000      0.1897000       8.434000 0.2624000       8.283000      0.2742000      0.1519000      0.3795000
  1 1 1       5    6   25 o    3.411000      0.3273000       3.528000 0.3956000       3.294000      0.5215000      0.2335000      0.6546000
  1 1 1       5    6   26 o    9.608000      0.2011000       9.142000 0.2749000       10.07000      0.2936000     -0.9313000      0.4022000
  1 1 1       5    6   27 o    6.215000      0.2234000       6.288000 0.2902000       6.142000      0.3397000      0.1455000      0.4468000
  1 1 1       5    6   28 o    5.586000      0.2537000       6.106000 0.3012000       5.066000      0.4083000       1.040000      0.5074000
  1 1 1       5    6   29 o    2.832000      0.4460000       2.082000 0.6755000       3.583000      0.5826000      -1.501000      0.8920000
  1 1 1       5    6   30 o    2.692000      0.4930000       2.688000 0.6690000       2.695000      0.7242000     -0.7132000E-02  0.9859000
  1 1 1       5    6   31 o    10.19000      0.2328000       9.898000 0.3143000       10.48000      0.3436000     -0.5809000      0.4657000
  1 1 1       5    6   32 o    10.40000      0.2384000       10.25000 0.3208000       10.55000      0.3528000     -0.2998000      0.4768000
  1 1 1       5    6   33 o    4.405000      0.3999000       4.458000 0.4928000       4.353000      0.6299000      0.1055000      0.7997000
  1 1 1       5    6   34 o    1.362000      0.4430000       1.591000 0.6851000       1.133000      0.5618000      0.4579000      0.8859000
  1 1 1       5    6   35 o    1.879000      0.5364000       1.967000 0.7548000       1.791000      0.7623000      0.1754000       1.073000
  1 1 1       5    6   36 o    3.058000      0.6478000       2.514000 0.9001000       3.602000      0.9319000      -1.088000       1.296000
  1 1 1       5    6   37 o    2.165000      0.5452000       2.516000 0.7819000       1.814000      0.7600000      0.7027000       1.090000
  1 1 1       5    7    0 o    22.14000      0.3020000       22.22000 0.4288000       22.06000      0.4254000      0.1633000      0.6040000
  1 1 1       5    7    1 o    22.82000      0.3103000       22.43000 0.4321000       23.22000      0.4455000     -0.7873000      0.6207000
  1 1 1       5    7    2 o    16.48000      0.2273000       16.39000 0.3188000       16.58000      0.3240000     -0.1945000      0.4546000
  1 1 1       5    7    3 o    16.29000      0.2231000       16.22000 0.3137000       16.36000      0.3173000     -0.1422000      0.4462000
  1 1 1       5    7    4 o    9.934000      0.1454000       10.15000 0.2075000       9.713000      0.2038000      0.4420000      0.2909000
  1 1 1       5    7    5 o    22.22000      0.3055000       21.80000 0.4193000       22.65000      0.4445000     -0.8501000      0.6110000
  1 1 1       5    7    6 o    16.44000      0.3053000       16.24000 0.4724000       16.63000      0.3868000     -0.3822000      0.6105000
  1 1 1       5    7    7 o    20.78000      0.3121000       20.28000 0.4354000       21.29000      0.4471000      -1.008000      0.6241000
  1 1 1       5    7    8 o    11.12000      0.2168000       11.42000 0.3217000       10.81000      0.2908000      0.6151000      0.4336000
  1 1 1       5    7    9 o    12.12000      0.2011000       12.35000 0.3027000       11.90000      0.2647000      0.4507000      0.4021000
  1 1 1       5    7   10 o    25.95000      0.3538000       26.11000 0.5059000       25.79000      0.4947000      0.3222000      0.7076000
  1 1 1       5    7   12 o    2.572000      0.1941000       2.465000 0.2918000       2.680000      0.2559000     -0.2148000      0.3881000
  1 1 1       5    7   13 o    5.571000      0.1542000       5.641000 0.2502000       5.501000      0.1802000      0.1399000      0.3084000
  1 1 1       5    7   14 o    6.580000      0.1341000       6.565000 0.1910000       6.595000      0.1884000     -0.2960000E-01  0.2683000
  1 1 1       5    7   15 o    3.805000      0.2066000       4.035000 0.2807000       3.575000      0.3033000      0.4604000      0.4133000
  1 1 1       5    7   16 o    7.201000      0.1941000       7.141000 0.2673000       7.262000      0.2815000     -0.1203000      0.3882000
  1 1 1       5    7   17 o    4.457000      0.1665000       4.471000 0.2330000       4.443000      0.2378000      0.2788000E-01  0.3329000
  1 1 1       5    7   18 o    4.564000      0.1741000       4.460000 0.2452000       4.668000      0.2471000     -0.2072000      0.3481000
  1 1 1       5    7   19 o    8.013000      0.2540000       7.423000 0.3789000       8.604000      0.3385000      -1.181000      0.5081000
  1 1 1       5    7   20 o    4.954000      0.3075000       4.951000 0.4869000       4.957000      0.3758000     -0.5630000E-02  0.6151000
  1 1 1       5    7   21 o    2.573000      0.3336000       2.388000 0.4895000       2.759000      0.4534000     -0.3715000      0.6672000
  1 1 1       5    7   22 o    3.930000      0.2393000       3.909000 0.3311000       3.951000      0.3454000     -0.4138000E-01  0.4785000
  1 1 1       5    7   23 o    9.452000      0.1854000       9.405000 0.2572000       9.498000      0.2671000     -0.9300000E-01  0.3708000
  1 1 1       5    7   24 o    8.584000      0.1883000       8.182000 0.2547000       8.987000      0.2774000     -0.8058000      0.3766000
  1 1 1       5    7   25 o    6.095000      0.2054000       6.196000 0.2693000       5.994000      0.3101000      0.2011000      0.4107000
  1 1 1       5    7   26 o    6.081000      0.2152000       5.816000 0.2947000       6.346000      0.3138000     -0.5301000      0.4305000
  1 1 1       5    7   27 o    4.039000      0.2961000       3.918000 0.3970000       4.159000      0.4394000     -0.2409000      0.5922000
  1 1 1       5    7   28 o    10.22000      0.2160000       10.70000 0.2891000       9.736000      0.3210000      0.9653000      0.4320000
  1 1 1       5    7   29 o    3.854000      0.3541000       3.332000 0.5242000       4.377000      0.4762000      -1.045000      0.7082000
  1 1 1       5    7   30 o    3.902000      0.3979000       4.290000 0.4323000       3.513000      0.6681000      0.7765000      0.7958000
  1 1 1       5    7   31 o    7.575000      0.2497000       7.110000 0.3438000       8.041000      0.3622000     -0.9308000      0.4994000
  1 1 1       5    7   32 o    2.825000      0.5378000       3.131000 0.6849000       2.518000      0.8293000      0.6129000       1.076000
  1 1 1       5    7   33 o    6.150000      0.3018000       5.929000 0.3963000       6.372000      0.4553000     -0.4437000      0.6036000
  1 1 1       5    7   34 o    2.158000      0.6191000       1.738000 0.7218000       2.577000       1.006000     -0.8387000       1.238000
  1 1 1       5    7   35 o    2.136000      0.6285000       1.854000 0.7882000       2.418000      0.9791000     -0.5640000       1.257000
  1 1 1       5    7   36 o    3.051000      0.4858000       1.803000 0.7468000       4.298000      0.6216000      -2.496000      0.9716000
  1 1 1       5    7   37 o    1.831000      0.5384000       1.836000 0.7548000       1.827000      0.7678000      0.9115000E-02   1.077000
  1 1 1       5    8    0 o    17.38000      0.2417000       17.25000 0.3400000       17.50000      0.3436000     -0.2540000      0.4833000
  1 1 1       5    8    1 o    10.49000      0.1569000       10.45000 0.2210000       10.53000      0.2227000     -0.7806000E-01  0.3138000
  1 1 1       5    8    2 o    8.187000      0.1304000       8.060000 0.1812000       8.315000      0.1875000     -0.2555000      0.2608000
  1 1 1       5    8    3 o    13.67000      0.1909000       13.77000 0.2707000       13.57000      0.2693000      0.2029000      0.3818000
  1 1 1       5    8    4 o    8.430000      0.1337000       8.408000 0.1840000       8.452000      0.1942000     -0.4413000E-01  0.2675000
  1 1 1       5    8    5 o    4.714000      0.1506000       4.576000 0.2066000       4.853000      0.2193000     -0.2766000      0.3013000
  1 1 1       5    8    6 o    13.34000      0.2948000       13.58000 0.4713000       13.10000      0.3544000      0.4819000      0.5897000
  1 1 1       5    8    7 f    15.87000      0.2708000       15.79000 0.3854000       15.94000      0.3805000     -0.1493000      0.5416000
  1 1 1       5    8    8 o    14.57000      0.2492000       14.90000 0.3798000       14.24000      0.3228000      0.6597000      0.4985000
  1 1 1       5    8    9 o    13.28000      0.2232000       13.36000 0.3381000       13.19000      0.2916000      0.1760000      0.4465000
  1 1 1       5    8   10 o    2.903000      0.2117000       2.804000 0.3107000       3.002000      0.2875000     -0.1978000      0.4233000
  1 1 1       5    8   11 o    7.671000      0.1495000       7.493000 0.2147000       7.848000      0.2081000     -0.3551000      0.2990000
  1 1 1       5    8   12 o    5.082000      0.2218000       5.220000 0.3371000       4.943000      0.2885000      0.2765000      0.4437000
  1 1 1       5    8   13 o    11.31000      0.2419000       11.13000 0.3399000       11.49000      0.3442000     -0.3625000      0.4837000
  1 1 1       5    8   14 o    6.356000      0.1905000       6.361000 0.2729000       6.351000      0.2659000      0.1072000E-01  0.3810000
  1 1 1       5    8   15 o    3.757000      0.1705000       3.537000 0.2548000       3.977000      0.2267000     -0.4393000      0.3411000
  1 1 1       5    8   16 o    2.148000      0.2885000       1.822000 0.4563000       2.474000      0.3531000     -0.6518000      0.5770000
  1 1 1       5    8   17 o    7.788000      0.2349000       7.916000 0.3452000       7.660000      0.3187000      0.2557000      0.4698000
  1 1 1       5    8   18 o    8.937000      0.2496000       8.991000 0.3648000       8.883000      0.3406000      0.1081000      0.4991000
  1 1 1       5    8   19 o    9.143000      0.1719000       9.138000 0.2441000       9.148000      0.2420000     -0.1040000E-01  0.3437000
  1 1 1       5    8   20 o    8.420000      0.1717000       8.370000 0.2434000       8.469000      0.2422000     -0.9830000E-01  0.3434000
  1 1 1       5    8   21 o    8.413000      0.2377000       8.846000 0.4026000       7.980000      0.2529000      0.8665000      0.4754000
  1 1 1       5    8   22 o    7.021000      0.2770000       7.228000 0.4308000       6.813000      0.3484000      0.4149000      0.5541000
  1 1 1       5    8   23 o    7.898000      0.1849000       7.804000 0.2618000       7.992000      0.2612000     -0.1886000      0.3698000
  1 1 1       5    8   24 o    5.675000      0.2402000       5.857000 0.3601000       5.494000      0.3181000      0.3631000      0.4804000
  1 1 1       5    8   25 o    8.224000      0.1921000       8.515000 0.2603000       7.933000      0.2825000      0.5818000      0.3841000
  1 1 1       5    8   26 o    3.706000      0.3033000       3.806000 0.3841000       3.605000      0.4695000      0.2009000      0.6066000
  1 1 1       5    8   27 o    4.266000      0.2895000       4.266000 0.3612000       4.267000      0.4526000     -0.1492000E-02  0.5791000
  1 1 1       5    8   28 o    2.045000      0.4822000       1.946000 0.6366000       2.143000      0.7245000     -0.1978000      0.9644000
  1 1 1       5    8   29 o    9.029000      0.2163000       9.007000 0.2949000       9.051000      0.3166000     -0.4454000E-01  0.4327000
  1 1 1       5    8   30 o    5.000000      0.2911000       4.786000 0.4009000       5.213000      0.4221000     -0.4274000      0.5822000
  1 1 1       5    8   31 o    5.990000      0.2850000       6.549000 0.3531000       5.432000      0.4475000       1.117000      0.5700000
  1 1 1       5    8   32 o    7.644000      0.2581000       7.547000 0.3549000       7.741000      0.3748000     -0.1943000      0.5162000
  1 1 1       5    8   33 o    2.303000      0.6399000       1.923000 0.8113000       2.683000      0.9898000     -0.7593000       1.280000
  1 1 1       5    8   34 o    2.171000      0.6160000       2.368000 0.8663000       1.974000      0.8760000      0.3932000       1.232000
  1 1 1       5    8   35 o    4.003000      0.4424000       4.223000 0.5161000       3.782000      0.7187000      0.4411000      0.8848000
  1 1 1       5    8   36 o    1.620000      0.5104000       1.649000 0.7194000       1.591000      0.7244000      0.5718000E-01   1.021000
  1 1 1       5    8   37 o    2.204000      0.6419000       2.260000 0.9144000       2.147000      0.9009000      0.1137000       1.284000
  1 1 1       5    9    0 o    13.79000      0.2802000       13.87000 0.3959000       13.70000      0.3967000      0.1669000      0.5605000
  1 1 1       5    9    1 o    15.03000      0.2989000       15.29000 0.4282000       14.77000      0.4173000      0.5221000      0.5979000
  1 1 1       5    9    2 o    13.41000      0.2677000       13.35000 0.3765000       13.47000      0.3807000     -0.1266000      0.5354000
  1 1 1       5    9    3 o    18.68000      0.2558000       19.12000 0.3687000       18.24000      0.3546000      0.8778000      0.5116000
  1 1 1       5    9    4 o    8.367000      0.1464000       8.689000 0.2019000       8.046000      0.2119000      0.6437000      0.2927000
  1 1 1       5    9    5 o    26.28000      0.4404000       25.42000 0.4902000       27.14000      0.7317000      -1.718000      0.8808000
  1 1 1       5    9    6 o    15.64000      0.3266000       15.62000 0.5252000       15.65000      0.3884000     -0.2957000E-01  0.6532000
  1 1 1       5    9    7 o    10.06000      0.4825000       10.21000 0.8880000       9.919000      0.3776000      0.2894000      0.9650000
  1 1 1       5    9    8 o    13.29000      0.4951000       13.55000 0.8849000       13.03000      0.4445000      0.5159000      0.9902000
  1 1 1       5    9    9 o    12.57000      0.4571000       12.54000 0.7962000       12.59000      0.4494000     -0.5698000E-01  0.9143000
  1 1 1       5    9   10 o    3.014000      0.6624000       3.603000 1.038000       2.424000      0.8233000       1.179000       1.325000
  1 1 1       5    9   11 o    13.17000      0.2035000       13.08000 0.2944000       13.26000      0.2811000     -0.1803000      0.4070000
  1 1 1       5    9   12 o    17.61000      0.3552000       17.43000 0.5037000       17.79000      0.5009000     -0.3579000      0.7104000
  1 1 1       5    9   13 o    6.204000      0.1493000       6.134000 0.2165000       6.275000      0.2056000     -0.1410000      0.2986000
  1 1 1       5    9   14 o    9.197000      0.1922000       9.364000 0.3201000       9.030000      0.2128000      0.3337000      0.3844000
  1 1 1       5    9   15 o    3.082000      0.3161000       3.180000 0.4661000       2.983000      0.4270000      0.1972000      0.6322000
  1 1 1       5    9   16 o    6.124000      0.2244000       6.114000 0.3298000       6.135000      0.3044000     -0.2091000E-01  0.4488000
  1 1 1       5    9   17 o    10.24000      0.1711000       10.26000 0.2448000       10.22000      0.2392000      0.4352000E-01  0.3423000
  1 1 1       5    9   18 o    14.76000      0.2189000       14.83000 0.3119000       14.69000      0.3071000      0.1417000      0.4377000
  1 1 1       5    9   19 o    5.853000      0.1754000       5.810000 0.2481000       5.896000      0.2480000     -0.8674000E-01  0.3508000
  1 1 1       5    9   20 o    11.27000      0.1904000       11.19000 0.2697000       11.35000      0.2689000     -0.1619000      0.3808000
  1 1 1       5    9   21 o    11.36000      0.1957000       11.17000 0.2761000       11.56000      0.2776000     -0.3933000      0.3915000
  1 1 1       5    9   22 o    4.513000      0.2251000       4.500000 0.3116000       4.525000      0.3249000     -0.2555000E-01  0.4502000
  1 1 1       5    9   23 o    11.57000      0.2025000       11.22000 0.2851000       11.92000      0.2876000     -0.7020000      0.4049000
  1 1 1       5    9   24 o    17.06000      0.2576000       17.08000 0.3662000       17.05000      0.3623000      0.2645000E-01  0.5151000
  1 1 1       5    9   25 o    9.409000      0.1987000       9.417000 0.2798000       9.401000      0.2822000      0.1604000E-01  0.3974000
  1 1 1       5    9   26 o    11.45000      0.2468000       11.44000 0.3897000       11.46000      0.3031000     -0.1535000E-01  0.4936000
  1 1 1       5    9   27 o    8.884000      0.2036000       9.109000 0.2785000       8.660000      0.2971000      0.4486000      0.4072000
  1 1 1       5    9   28 o    4.759000      0.2784000       4.088000 0.4099000       5.430000      0.3768000      -1.342000      0.5568000
  1 1 1       5    9   29 o    12.45000      0.2275000       12.39000 0.3126000       12.50000      0.3305000     -0.1063000      0.4550000
  1 1 1       5    9   30 o    4.994000      0.2955000       4.221000 0.4248000       5.766000      0.4110000      -1.545000      0.5911000
  1 1 1       5    9   31 o    2.576000      0.5064000       2.841000 0.6445000       2.310000      0.7814000      0.5312000       1.013000
  1 1 1       5    9   32 o    2.640000      0.6373000       2.323000 0.8452000       2.958000      0.9541000     -0.6356000       1.275000
  1 1 1       5    9   33 o    2.430000      0.6479000       2.243000 0.8501000       2.617000      0.9779000     -0.3742000       1.296000
  1 1 1       5    9   34 o    1.896000      0.5398000       1.823000 0.7285000       1.968000      0.7967000     -0.1445000       1.080000
  1 1 1       5    9   35 o    2.988000      0.4696000       3.925000 0.5183000       2.051000      0.7833000       1.874000      0.9393000
  1 1 1       5    9   36 o    2.293000      0.6549000       2.135000 0.9183000       2.452000      0.9340000     -0.3179000       1.310000
  1 1 1       5    9   37 o    2.973000      0.5530000       3.285000 0.7587000       2.661000      0.8046000      0.6235000       1.106000
  1 1 1       5   10    0 o    11.50000      0.1704000       11.37000 0.2382000       11.62000      0.2438000     -0.2558000      0.3408000
  1 1 1       5   10    1 o    12.21000      0.1761000       12.24000 0.2485000       12.18000      0.2495000      0.6477000E-01  0.3521000
  1 1 1       5   10    2 o    12.26000      0.1764000       12.12000 0.2460000       12.39000      0.2530000     -0.2760000      0.3529000
  1 1 1       5   10    3 f    13.58000      0.2447000       13.57000 0.2733000       13.58000      0.4061000     -0.1132000E-01  0.4895000
  1 1 1       5   10    4 o    13.66000      0.2113000       13.43000 0.2828000       13.89000      0.3141000     -0.4648000      0.4226000
  1 1 1       5   10    5 o    15.87000      0.2532000       15.78000 0.3357000       15.95000      0.3792000     -0.1660000      0.5065000
  1 1 1       5   10    6 o    6.246000      0.2585000       6.185000 0.3998000       6.307000      0.3279000     -0.1224000      0.5171000
  1 1 1       5   10    7 o    18.58000      0.3160000       19.01000 0.4558000       18.15000      0.4379000      0.8555000      0.6320000
  1 1 1       5   10    8 f    15.67000      0.2777000       15.87000 0.4235000       15.47000      0.3594000      0.4055000      0.5554000
  1 1 1       5   10    9 o    6.030000      0.2475000       6.196000 0.3232000       5.863000      0.3749000      0.3330000      0.4949000
  1 1 1       5   10   10 o    13.38000      0.2303000       13.15000 0.3404000       13.62000      0.3103000     -0.4695000      0.4606000
  1 1 1       5   10   11 o    10.46000      0.2306000       10.45000 0.3222000       10.47000      0.3299000     -0.1410000E-01  0.4611000
  1 1 1       5   10   12 o    14.10000      0.4058000       14.10000 0.4058000                  ?              ?              ?              ?
  1 1 1       5   10   13 o    14.33000      0.2927000       13.98000 0.4066000       14.67000      0.4210000     -0.6871000      0.5853000
  1 1 1       5   10   14 o    6.766000      0.2168000                  ?       ?   6.766000      0.2168000                  ?              ?
  1 1 1       5   10   15 o    4.781000      0.1638000       4.860000 0.2373000       4.702000      0.2258000      0.1587000      0.3276000
  1 1 1       5   10   16 f    4.087000      0.1877000       3.997000 0.2804000       4.176000      0.2497000     -0.1793000      0.3754000
  1 1 1       5   10   17 o    2.548000      0.2920000       2.864000 0.3660000       2.232000      0.4549000      0.6321000      0.5839000
  1 1 1       5   10   18 o    7.954000      0.1639000       7.780000 0.2340000       8.127000      0.2295000     -0.3464000      0.3278000
  1 1 1       5   10   19 o    3.008000      0.2634000       2.920000 0.3865000       3.096000      0.3580000     -0.1759000      0.5269000
  1 1 1       5   10   20 o    5.039000      0.1994000       5.004000 0.2907000       5.075000      0.2731000     -0.7176000E-01  0.3989000
  1 1 1       5   10   21 o    16.00000      0.2402000       15.69000 0.3372000       16.31000      0.3421000     -0.6158000      0.4803000
  1 1 1       5   10   22 o    3.930000      0.2539000       3.856000 0.3702000       4.005000      0.3475000     -0.1495000      0.5078000
  1 1 1       5   10   23 o    6.593000      0.1933000       6.703000 0.2709000       6.483000      0.2758000      0.2200000      0.3865000
  1 1 1       5   10   24 o    3.131000      0.3332000       3.154000 0.4607000       3.108000      0.4816000      0.4601000E-01  0.6664000
  1 1 1       5   10   25 o    12.18000      0.2150000       12.28000 0.3071000       12.08000      0.3010000      0.2000000      0.4301000
  1 1 1       5   10   26 o    10.05000      0.2112000       10.06000 0.2988000       10.05000      0.2986000      0.7174000E-02  0.4224000
  1 1 1       5   10   27 o    10.08000      0.2132000       9.671000 0.3029000       10.49000      0.3000000     -0.8189000      0.4263000
  1 1 1       5   10   28 o    6.702000      0.2643000       6.565000 0.4057000       6.840000      0.3387000     -0.2750000      0.5285000
  1 1 1       5   10   29 o    6.421000      0.2407000       6.755000 0.3095000       6.087000      0.3688000      0.6681000      0.4815000
  1 1 1       5   10   30 o    2.616000      0.4863000       2.859000 0.6177000       2.374000      0.7512000      0.4851000      0.9725000
  1 1 1       5   10   31 o    4.788000      0.4419000       4.464000 0.6259000       5.111000      0.6239000     -0.6465000      0.8837000
  1 1 1       5   10   32 o    2.050000      0.5424000       1.878000 0.7295000       2.222000      0.8029000     -0.3434000       1.085000
  1 1 1       5   10   33 o    3.697000      0.4588000       2.934000 0.7087000       4.460000      0.5830000      -1.526000      0.9177000
  1 1 1       5   10   34 o    2.231000      0.6479000       2.042000 0.8743000       2.419000      0.9565000     -0.3773000       1.296000
  1 1 1       5   10   35 o    2.550000      0.6806000       2.247000 0.9274000       2.852000      0.9964000     -0.6054000       1.361000
  1 1 1       5   10   36 o    2.643000      0.5775000       2.745000 0.7876000       2.542000      0.8448000      0.2034000       1.155000
  1 1 1       5   11    0 o    10.85000      0.2294000       10.78000 0.3229000       10.92000      0.3258000     -0.1335000      0.4588000
  1 1 1       5   11    1 o    9.871000      0.2134000       9.966000 0.2999000       9.775000      0.3037000      0.1906000      0.4268000
  1 1 1       5   11    2 o    14.27000      0.2924000       13.73000 0.3922000       14.81000      0.4337000      -1.075000      0.5848000
  1 1 1       5   11    3 o    22.27000      0.4374000       22.90000 0.6249000       21.65000      0.6122000       1.250000      0.8748000
  1 1 1       5   11    4 o    18.12000      0.3971000       18.88000 0.5324000       17.37000      0.5893000       1.508000      0.7942000
  1 1 1       5   11    5 o    13.53000      0.5262000       12.70000 0.4483000       14.36000      0.9520000      -1.656000       1.052000
  1 1 1       5   11    6 f    7.021000      0.9180000       8.257000 0.4792000       5.785000       1.772000       2.472000       1.836000
  1 1 1       5   11    7 o    13.87000      0.4731000       13.61000 0.4684000       14.14000      0.8220000     -0.5278000      0.9461000
  1 1 1       5   11    8 o    3.451000      0.5865000       2.295000 0.7767000       4.607000      0.8790000      -2.312000       1.173000
  1 1 1       5   11    9 o    13.77000      0.3204000       14.30000 0.4303000       13.25000      0.4747000       1.047000      0.6407000
  1 1 1       5   11   10 o    16.44000      0.2735000       16.76000 0.4190000       16.12000      0.3517000      0.6438000      0.5470000
  1 1 1       5   11   11 o    6.186000      0.1961000       6.226000 0.2776000       6.146000      0.2770000      0.8013000E-01  0.3922000
  1 1 1       5   11   12 o    9.744000      0.2834000       9.744000 0.2834000                  ?              ?              ?              ?
  1 1 1       5   11   13 o    13.99000      0.2156000       13.71000 0.3065000       14.28000      0.3032000     -0.5718000      0.4312000
  1 1 1       5   11   14 o    8.555000      0.2270000                  ?       ?   8.555000      0.2270000                  ?              ?
  1 1 1       5   11   15 o    2.908000      0.2805000       2.812000 0.4372000       3.004000      0.3514000     -0.1925000      0.5609000
  1 1 1       5   11   16 o    3.913000      0.2023000       4.135000 0.2911000       3.691000      0.2809000      0.4437000      0.4045000
  1 1 1       5   11   17 o    4.278000      0.1931000       4.121000 0.2883000       4.435000      0.2569000     -0.3136000      0.3861000
  1 1 1       5   11   18 o    7.991000      0.1685000       7.895000 0.2402000       8.086000      0.2364000     -0.1908000      0.3370000
  1 1 1       5   11   19 o    4.238000      0.2051000       4.251000 0.2944000       4.226000      0.2858000      0.2467000E-01  0.4103000
  1 1 1       5   11   20 o    7.053000      0.1769000       7.144000 0.2493000       6.962000      0.2509000      0.1828000      0.3537000
  1 1 1       5   11   21 o    5.217000      0.2040000       5.168000 0.2961000       5.266000      0.2807000     -0.9847000E-01  0.4080000
  1 1 1       5   11   22 o    3.997000      0.2542000       3.868000 0.3718000       4.126000      0.3468000     -0.2581000      0.5084000
  1 1 1       5   11   23 f    6.364000      0.2021000       6.389000 0.2847000       6.338000      0.2868000      0.5060000E-01  0.4041000
  1 1 1       5   11   24 o    6.150000      0.2065000       5.967000 0.2992000       6.334000      0.2846000     -0.3663000      0.4130000
  1 1 1       5   11   25 o    9.371000      0.2037000       9.147000 0.2857000       9.594000      0.2906000     -0.4473000      0.4075000
  1 1 1       5   11   26 o    5.943000      0.2385000       6.151000 0.3311000       5.735000      0.3433000      0.4155000      0.4770000
  1 1 1       5   11   27 o    5.074000      0.2736000       4.993000 0.3843000       5.155000      0.3897000     -0.1629000      0.5473000
  1 1 1       5   11   28 o    2.688000      0.4646000       2.160000 0.7056000       3.216000      0.6046000      -1.056000      0.9292000
  1 1 1       5   11   29 o    4.902000      0.3747000       4.490000 0.5445000       5.314000      0.5151000     -0.8232000      0.7495000
  1 1 1       5   11   30 o    9.146000      0.3054000       8.801000 0.4118000       9.491000      0.4510000     -0.6897000      0.6107000
  1 1 1       5   11   31 o    7.631000      0.2506000       7.323000 0.3493000       7.939000      0.3595000     -0.6154000      0.5013000
  1 1 1       5   11   32 o    3.195000      0.4921000       2.889000 0.7087000       3.501000      0.6829000     -0.6121000      0.9842000
  1 1 1       5   11   33 o    6.789000      0.4386000       6.438000 0.5983000       7.141000      0.6415000     -0.7023000      0.8772000
  1 1 1       5   11   34 o    3.237000      0.5175000       2.741000 0.7563000       3.734000      0.7065000     -0.9934000       1.035000
  1 1 1       5   11   35 o    2.757000      0.5264000       1.926000 0.7544000       3.587000      0.7344000      -1.661000       1.053000
  1 1 1       5   11   36 o    6.478000      0.3147000       6.809000 0.4073000       6.147000      0.4798000      0.6613000      0.6293000
  1 1 1       5   12    0 o    16.95000      0.2366000       17.01000 0.3351000       16.90000      0.3341000      0.1103000      0.4732000
  1 1 1       5   12    1 o    30.23000      0.4084000       30.59000 0.5831000       29.88000      0.5720000      0.7171000      0.8168000
  1 1 1       5   12    2 o    19.62000      0.2721000       19.46000 0.3794000       19.79000      0.3901000     -0.3312000      0.5441000
  1 1 1       5   12    3 o    21.28000      0.3646000       20.91000 0.5834000       21.65000      0.4373000     -0.7402000      0.7291000
  1 1 1       5   12    4 o    18.66000      0.3717000       19.63000 0.3943000       17.69000      0.6302000       1.944000      0.7434000
  1 1 1       5   12    5 o    28.34000      0.4179000       28.79000 0.5710000       27.90000      0.6103000      0.8933000      0.8357000
  1 1 1       5   12    6 o    13.57000      0.2756000       13.51000 0.3767000       13.62000      0.4024000     -0.1068000      0.5512000
  1 1 1       5   12    7 o    11.03000      0.3042000       10.55000 0.4293000       11.52000      0.4310000     -0.9684000      0.6084000
  1 1 1       5   12    8 o    11.41000      0.3187000       11.45000 0.3878000       11.37000      0.5057000      0.8071000E-01  0.6373000
  1 1 1       5   12    9 o    2.185000      0.5660000       2.257000 0.7368000       2.114000      0.8593000      0.1428000       1.132000
  1 1 1       5   12   10 o    17.44000      0.2882000       17.64000 0.4369000       17.24000      0.3761000      0.4017000      0.5765000
  1 1 1       5   12   11 o    7.585000      0.2159000       7.397000 0.3013000       7.773000      0.3094000     -0.3760000      0.4319000
  1 1 1       5   12   12 o    1.897000      0.3316000       2.667000 0.4438000       1.126000      0.4928000       1.541000      0.6632000
  1 1 1       5   12   13 o    10.36000      0.1975000       10.32000 0.2946000       10.39000      0.2632000     -0.7245000E-01  0.3951000
  1 1 1       5   12   14 o    1.750000      0.3838000       1.668000 0.5595000       1.831000      0.5255000     -0.1631000      0.7676000
  1 1 1       5   12   15 o    11.38000      0.1909000       11.38000 0.2777000       11.38000      0.2619000     -0.5610000E-02  0.3817000
  1 1 1       5   12   16 f    9.346000      0.1775000       9.389000 0.2577000       9.304000      0.2440000      0.8539000E-01  0.3549000
  1 1 1       5   12   17 o    1.933000      0.3804000       1.861000 0.5570000       2.005000      0.5183000     -0.1437000      0.7608000
  1 1 1       5   12   18 o    5.183000      0.1859000       4.923000 0.2749000       5.443000      0.2503000     -0.5203000      0.3718000
  1 1 1       5   12   19 o    6.443000      0.1840000       6.445000 0.2685000       6.442000      0.2517000      0.2353000E-02  0.3680000
  1 1 1       5   12   20 o    10.46000      0.1906000       10.64000 0.2741000       10.28000      0.2649000      0.3599000      0.3812000
  1 1 1       5   12   21 o    11.33000      0.1966000       11.26000 0.2797000       11.41000      0.2763000     -0.1501000      0.3932000
  1 1 1       5   12   22 o    9.386000      0.1917000       9.489000 0.2719000       9.283000      0.2702000      0.2067000      0.3833000
  1 1 1       5   12   23 o    1.848000      0.4300000       2.230000 0.6148000       1.465000      0.6013000      0.7655000      0.8600000
  1 1 1       5   12   24 o    3.566000      0.3158000       3.557000 0.4502000       3.574000      0.4431000     -0.1748000E-01  0.6317000
  1 1 1       5   12   25 o    8.931000      0.2084000       8.798000 0.2957000       9.065000      0.2938000     -0.2666000      0.4169000
  1 1 1       5   12   26 o    5.451000      0.2474000       5.170000 0.3529000       5.733000      0.3468000     -0.5626000      0.4948000
  1 1 1       5   12   27 o    10.65000      0.2845000       10.88000 0.3963000       10.43000      0.4084000      0.4510000      0.5691000
  1 1 1       5   12   28 o    1.803000      0.4845000       2.365000 0.7621000       1.240000      0.5986000       1.125000      0.9691000
  1 1 1       5   12   29 o    6.230000      0.2602000       6.177000 0.3726000       6.283000      0.3633000     -0.1056000      0.5204000
  1 1 1       5   12   30 o    10.35000      0.2395000       10.35000 0.3427000       10.34000      0.3346000      0.6906000E-02  0.4789000
  1 1 1       5   12   31 o    3.311000      0.7622000       3.290000 1.150000       3.332000       1.000000     -0.4145000E-01   1.524000
  1 1 1       5   12   32 o    2.850000      0.6771000       2.792000 0.9345000       2.907000      0.9801000     -0.1154000       1.354000
  1 1 1       5   12   33 o    5.322000      0.3370000       5.254000 0.4427000       5.390000      0.5081000     -0.1357000      0.6739000
  1 1 1       5   12   34 f    4.926000      0.3664000       4.844000 0.4874000       5.007000      0.5472000     -0.1634000      0.7328000
  1 1 1       5   12   35 o    6.833000      0.3061000       6.726000 0.4150000       6.940000      0.4500000     -0.2134000      0.6122000
  1 1 1       5   12   36 o    4.858000      0.3791000       4.902000 0.5002000       4.815000      0.5699000      0.8699000E-01  0.7582000
  1 1 1       5   13    0 o    10.60000      0.1636000       10.72000 0.2307000       10.49000      0.2319000      0.2276000      0.3271000
  1 1 1       5   13    1 o    9.323000      0.1581000       9.378000 0.2170000       9.268000      0.2300000      0.1102000      0.3162000
  1 1 1       5   13    2 o    11.13000      0.2071000       10.92000 0.2418000       11.34000      0.3363000     -0.4214000      0.4142000
  1 1 1       5   13    3 o    8.378000      0.1827000       8.720000 0.2465000       8.036000      0.2697000      0.6832000      0.3653000
  1 1 1       5   13    4 o    9.748000      0.2125000       9.362000 0.2706000       10.13000      0.3278000     -0.7715000      0.4251000
  1 1 1       5   13    5 o    11.95000      0.2586000       12.07000 0.3596000       11.83000      0.3718000      0.2329000      0.5173000
  1 1 1       5   13    6 o    13.60000      0.3698000       13.81000 0.6032000       13.38000      0.4281000      0.4310000      0.7396000
  1 1 1       5   13    7 o    8.823000      0.3517000       8.085000 0.5204000       9.561000      0.4732000      -1.475000      0.7034000
  1 1 1       5   13    8 o    9.549000      0.3573000       9.662000 0.4084000       9.436000      0.5863000      0.2265000      0.7145000
  1 1 1       5   13    9 o    8.393000      0.2919000       8.856000 0.3778000       7.931000      0.4451000      0.9258000      0.5838000
  1 1 1       5   13   10 o    10.86000      0.2406000       11.11000 0.3566000       10.61000      0.3230000      0.4990000      0.4811000
  1 1 1       5   13   11 o    6.950000      0.2359000       6.844000 0.3214000       7.055000      0.3454000     -0.2116000      0.4718000
  1 1 1       5   13   12 o    5.159000      0.2232000       5.582000 0.3004000       4.736000      0.3303000      0.8466000      0.4465000
  1 1 1       5   13   13 o    3.942000      0.2524000       3.715000 0.3705000       4.169000      0.3427000     -0.4537000      0.5047000
  1 1 1       5   13   14 o    6.489000      0.1964000       6.733000 0.2921000       6.246000      0.2626000      0.4868000      0.3928000
  1 1 1       5   13   15 o    7.549000      0.2066000       7.866000 0.3325000       7.232000      0.2453000      0.6347000      0.4132000
  1 1 1       5   13   16 o    13.29000      0.2111000       13.38000 0.3054000       13.21000      0.2916000      0.1721000      0.4223000
  1 1 1       5   13   17 o    5.539000      0.1980000       5.569000 0.2963000       5.508000      0.2629000      0.6161000E-01  0.3961000
  1 1 1       5   13   18 o    5.544000      0.2000000       5.757000 0.2836000       5.332000      0.2820000      0.4258000      0.4000000
  1 1 1       5   13   19 o    8.607000      0.1797000       8.585000 0.2580000       8.629000      0.2502000     -0.4383000E-01  0.3594000
  1 1 1       5   13   20 o    10.03000      0.1890000       9.975000 0.2725000       10.08000      0.2621000     -0.1026000      0.3781000
  1 1 1       5   13   21 o    11.28000      0.2008000       11.22000 0.2856000       11.34000      0.2823000     -0.1136000      0.4015000
  1 1 1       5   13   22 o    3.819000      0.2861000       3.794000 0.4117000       3.845000      0.3975000     -0.5135000E-01  0.5723000
  1 1 1       5   13   23 o    7.688000      0.1995000       7.517000 0.2866000       7.858000      0.2777000     -0.3410000      0.3991000
  1 1 1       5   13   24 o    4.984000      0.2492000       5.211000 0.3447000       4.757000      0.3601000      0.4531000      0.4985000
  1 1 1       5   13   25 o    2.844000      0.4992000       2.994000 0.6666000       2.694000      0.7433000      0.3001000      0.9984000
  1 1 1       5   13   26 o    10.99000      0.2852000       11.06000 0.3955000       10.93000      0.4112000      0.1325000      0.5705000
  1 1 1       5   13   27 o    6.338000      0.2511000       6.191000 0.3597000       6.485000      0.3504000     -0.2935000      0.5022000
  1 1 1       5   13   28 o    7.979000      0.2335000       7.890000 0.3359000       8.068000      0.3245000     -0.1779000      0.4671000
  1 1 1       5   13   29 o    4.297000      0.6713000       3.605000 1.138000       4.990000      0.7119000      -1.384000       1.343000
  1 1 1       5   13   30 o    3.195000      0.7615000       3.711000 1.159000       2.679000      0.9878000       1.032000       1.523000
  1 1 1       5   13   31 o    3.675000      0.4813000       3.436000 0.7244000       3.915000      0.6340000     -0.4789000      0.9627000
  1 1 1       5   13   32 f    2.376000      0.5808000       2.465000 0.8243000       2.288000      0.8185000      0.1772000       1.162000
  1 1 1       5   13   33 o    4.206000      0.4611000       3.360000 0.7632000       5.052000      0.5177000      -1.692000      0.9223000
  1 1 1       5   13   34 o    3.145000      0.5410000       2.748000 0.7937000       3.541000      0.7354000     -0.7930000       1.082000
  1 1 1       5   13   35 o    5.489000      0.3571000       5.553000 0.4704000       5.426000      0.5374000      0.1277000      0.7142000
  1 1 1       5   13   36 o    3.308000      0.8057000                  ?       ?   3.308000      0.8057000                  ?              ?
  1 1 1       5   14    0 o    10.18000      0.1682000       10.26000 0.2305000       10.11000      0.2450000      0.1512000      0.3364000
  1 1 1       5   14    1 o    25.78000      0.4342000       26.19000 0.7131000       25.37000      0.4955000      0.8148000      0.8683000
  1 1 1       5   14    2 o    14.88000      0.2266000       14.46000 0.3015000       15.30000      0.3383000     -0.8435000      0.4532000
  1 1 1       5   14    3 o    13.65000      0.2989000       13.08000 0.4314000       14.21000      0.4139000      -1.129000      0.5978000
  1 1 1       5   14    4 o    12.23000      0.5921000       12.78000 0.3185000       11.67000       1.140000       1.118000       1.184000
  1 1 1       5   14    5 o    8.217000      0.2874000       8.068000 0.4354000       8.367000      0.3752000     -0.2992000      0.5748000
  1 1 1       5   14    6 o    9.647000      0.2973000       9.559000 0.4469000       9.735000      0.3923000     -0.1763000      0.5946000
  1 1 1       5   14    7 o    5.566000      0.9317000       5.300000 0.7328000       5.832000       1.713000     -0.5325000       1.863000
  1 1 1       5   14    8 o    2.408000      0.6657000       2.275000 0.8819000       2.541000      0.9974000     -0.2662000       1.331000
  1 1 1       5   14    9 o    7.174000      0.3396000       7.319000 0.4226000       7.029000      0.5318000      0.2907000      0.6793000
  1 1 1       5   14   10 o    13.92000      0.2787000       14.42000 0.4198000       13.43000      0.3668000      0.9916000      0.5574000
  1 1 1       5   14   11 o    3.747000      0.3769000       3.686000 0.4795000       3.809000      0.5817000     -0.1229000      0.7538000
  1 1 1       5   14   12 o    6.981000      0.2267000       6.941000 0.3223000       7.021000      0.3188000     -0.8077000E-01  0.4533000
  1 1 1       5   14   13 o    2.577000      0.3859000       2.204000 0.6069000       2.950000      0.4768000     -0.7456000      0.7718000
  1 1 1       5   14   14 o    3.460000      0.3371000       2.899000 0.5675000       4.020000      0.3640000      -1.121000      0.6742000
  1 1 1       5   14   15 o    4.378000      0.2498000       4.286000 0.3859000       4.470000      0.3172000     -0.1841000      0.4996000
  1 1 1       5   14   16 o    8.270000      0.1873000       7.965000 0.2743000       8.576000      0.2551000     -0.6110000      0.3746000
  1 1 1       5   14   17 o    2.837000      0.3471000       3.316000 0.4475000       2.358000      0.5306000      0.9577000      0.6941000
  1 1 1       5   14   18 o    7.259000      0.1927000       7.460000 0.2825000       7.059000      0.2620000      0.4009000      0.3853000
  1 1 1       5   14   19 f    2.490000      0.4070000       2.477000 0.6063000       2.504000      0.5430000     -0.2703000E-01  0.8139000
  1 1 1       5   14   20 o    5.377000      0.2209000       5.514000 0.3231000       5.240000      0.3013000      0.2742000      0.4418000
  1 1 1       5   14   21 o    4.137000      0.2715000       4.368000 0.3864000       3.905000      0.3816000      0.4632000      0.5431000
  1 1 1       5   14   22 f    2.957000      0.3870000       2.819000 0.5907000       3.095000      0.5001000     -0.2755000      0.7739000
  1 1 1       5   14   23 o    5.319000      0.3175000       4.853000 0.4551000       5.784000      0.4430000     -0.9308000      0.6351000
  1 1 1       5   14   24 o    10.67000      0.2776000       10.49000 0.3823000       10.84000      0.4027000     -0.3508000      0.5553000
  1 1 1       5   14   25 o    3.006000      0.4171000       3.099000 0.6039000       2.913000      0.5754000      0.1860000      0.8342000
  1 1 1       5   14   26 o    8.526000      0.2190000       8.611000 0.3163000       8.442000      0.3030000      0.1693000      0.4380000
  1 1 1       5   14   27 o    7.909000      0.3954000       8.342000 0.6065000       7.475000      0.5073000      0.8661000      0.7907000
  1 1 1       5   14   28 o    3.809000      0.6850000       3.600000 1.083000       4.018000      0.8392000     -0.4181000       1.370000
  1 1 1       5   14   29 o    4.811000      0.3439000       4.640000 0.4980000       4.982000      0.4743000     -0.3426000      0.6878000
  1 1 1       5   14   30 o    2.192000      0.5400000       1.869000 0.7413000       2.515000      0.7853000     -0.6460000       1.080000
  1 1 1       5   14   31 o    3.125000      0.5435000       3.063000 0.7610000       3.187000      0.7761000     -0.1243000       1.087000
  1 1 1       5   14   32 o    2.535000      0.5836000       2.582000 0.8267000       2.489000      0.8240000      0.9305000E-01   1.167000
  1 1 1       5   14   33 o    2.635000      0.5661000       3.075000 0.7828000       2.194000      0.8181000      0.8817000       1.132000
  1 1 1       5   14   34 o    3.359000      0.5362000       3.744000 0.6625000       2.974000      0.8432000      0.7701000       1.072000
  1 1 1       5   14   35 o    1.352000      0.4563000       1.196000 0.5842000       1.509000      0.7012000     -0.3128000      0.9127000
  1 1 1       5   15    0 o    11.78000      0.1855000       11.95000 0.2587000       11.60000      0.2660000      0.3461000      0.3710000
  1 1 1       5   15    1 o    16.83000      0.2449000       16.95000 0.3406000       16.71000      0.3520000      0.2335000      0.4898000
  1 1 1       5   15    2 o    7.911000      0.1817000       8.153000 0.2469000       7.668000      0.2665000      0.4848000      0.3633000
  1 1 1       5   15    3 o    16.96000      0.4399000       17.31000 0.5285000       16.62000      0.7034000      0.6842000      0.8798000
  1 1 1       5   15    4 o    4.225000      0.3295000       4.569000 0.4875000       3.881000      0.4435000      0.6885000      0.6590000
  1 1 1       5   15    5 o    2.111000      0.5961000       2.443000 0.9351000       1.778000      0.7396000      0.6650000       1.192000
  1 1 1       5   15    6 o    4.505000      0.5092000       4.564000 0.8085000       4.446000      0.6194000      0.1176000       1.018000
  1 1 1       5   15    7 o    5.352000      0.5934000       4.496000 0.9604000       6.208000      0.6971000      -1.712000       1.187000
  1 1 1       5   15    8 o    2.050000      0.6211000       2.338000 0.9204000       1.762000      0.8341000      0.5756000       1.242000
  1 1 1       5   15    9 o    1.950000      0.5797000       1.433000 0.6680000       2.466000      0.9475000      -1.033000       1.159000
  1 1 1       5   15   10 o    6.515000      0.3441000       7.136000 0.4081000       5.894000      0.5542000       1.242000      0.6882000
  1 1 1       5   15   11 o    5.372000      0.2992000       5.355000 0.3844000       5.389000      0.4585000     -0.3436000E-01  0.5983000
  1 1 1       5   15   12 o    4.708000      0.3190000       4.617000 0.4220000       4.799000      0.4784000     -0.1818000      0.6380000
  1 1 1       5   15   13 o    7.982000      0.3229000       7.982000 0.3229000                  ?              ?              ?              ?
  1 1 1       5   15   14 o    4.715000      0.2680000       4.332000 0.4175000       5.097000      0.3363000     -0.7641000      0.5361000
  1 1 1       5   15   15 o    2.836000      0.5555000                  ?       ?   2.836000      0.5555000                  ?              ?
  1 1 1       5   15   16 o    6.004000      0.2189000       5.869000 0.3234000       6.138000      0.2950000     -0.2695000      0.4378000
  1 1 1       5   15   17 o    5.089000      0.2400000       5.198000 0.3571000       4.980000      0.3208000      0.2180000      0.4801000
  1 1 1       5   15   18 o    9.017000      0.2008000       8.969000 0.2919000       9.065000      0.2758000     -0.9657000E-01  0.4016000
  1 1 1       5   15   19 o    2.523000      0.4386000       2.182000 0.6758000       2.863000      0.5593000     -0.6811000      0.8772000
  1 1 1       5   15   20 o    5.404000      0.3454000       5.207000 0.5148000       5.600000      0.4606000     -0.3926000      0.6908000
  1 1 1       5   15   21 o    4.244000      0.3915000       3.655000 0.6275000       4.833000      0.4683000      -1.178000      0.7830000
  1 1 1       5   15   22 o    2.258000      0.5185000       1.784000 0.7279000       2.733000      0.7386000     -0.9485000       1.037000
  1 1 1       5   15   23 o    6.653000      0.2331000       6.381000 0.3483000       6.925000      0.3098000     -0.5440000      0.4662000
  1 1 1       5   15   24 o    5.537000      0.2637000       5.444000 0.3913000       5.630000      0.3537000     -0.1854000      0.5274000
  1 1 1       5   15   25 o    9.883000      0.3479000       10.31000 0.5220000       9.455000      0.4602000      0.8570000      0.6959000
  1 1 1       5   15   26 o    5.477000      0.4760000       5.291000 0.7676000       5.663000      0.5630000     -0.3723000      0.9519000
  1 1 1       5   15   27 o    2.022000      0.5152000       2.281000 0.7463000       1.763000      0.7104000      0.5181000       1.030000
  1 1 1       5   15   28 o    3.904000      0.3953000       3.453000 0.6219000       4.354000      0.4880000     -0.9013000      0.7905000
  1 1 1       5   15   29 o    2.419000      0.5483000       2.650000 0.7594000       2.188000      0.7911000      0.4617000       1.097000
  1 1 1       5   15   30 o    8.319000      0.2658000       8.222000 0.3855000       8.416000      0.3660000     -0.1940000      0.5316000
  1 1 1       5   15   31 o    6.103000      0.3197000       5.631000 0.4810000       6.574000      0.4213000     -0.9435000      0.6394000
  1 1 1       5   15   32 o    1.981000      0.5604000       1.705000 0.7455000       2.257000      0.8368000     -0.5519000       1.121000
  1 1 1       5   15   33 o    2.158000      0.5859000       2.009000 0.8061000       2.306000      0.8504000     -0.2969000       1.172000
  1 1 1       5   15   34 o    1.999000      0.5658000       1.903000 0.7813000       2.095000      0.8187000     -0.1919000       1.132000
  1 1 1       5   15   35 o    2.198000      0.5863000       1.988000 0.8010000       2.408000      0.8564000     -0.4203000       1.173000
  1 1 1       5   16    0 o    8.116000      0.1633000       8.370000 0.2238000       7.863000      0.2380000      0.5063000      0.3267000
  1 1 1       5   16    1 o    1.289000      0.3601000       1.467000 0.5214000       1.110000      0.4968000      0.3572000      0.7202000
  1 1 1       5   16    2 o    11.84000      0.2494000       11.49000 0.3721000       12.19000      0.3321000     -0.7011000      0.4987000
  1 1 1       5   16    3 o    5.322000      0.2479000       5.228000 0.3776000       5.416000      0.3213000     -0.1879000      0.4959000
  1 1 1       5   16    4 o    7.187000      0.2498000       6.898000 0.3798000       7.475000      0.3246000     -0.5762000      0.4996000
  1 1 1       5   16    5 o    6.164000      0.3785000       6.341000 0.5899000       5.986000      0.4745000      0.3556000      0.7571000
  1 1 1       5   16    6 o    4.219000      0.5887000       3.630000 1.007000       4.808000      0.6104000      -1.178000       1.177000
  1 1 1       5   16    7 o    3.526000      0.7339000       3.989000 1.091000       3.064000      0.9825000      0.9251000       1.468000
  1 1 1       5   16    8 o    9.294000      0.3719000       9.996000 0.4819000       8.592000      0.5666000       1.404000      0.7438000
  1 1 1       5   16    9 o    6.434000      0.4081000       6.839000 0.4867000       6.030000      0.6553000      0.8085000      0.8163000
  1 1 1       5   16   10 o    4.041000      0.6005000       3.725000 0.7007000       4.357000      0.9755000     -0.6323000       1.201000
  1 1 1       5   16   11 o    1.570000      0.4689000       1.894000 0.7213000       1.246000      0.5994000      0.6480000      0.9379000
  1 1 1       5   16   12 o    1.867000      0.5163000       1.511000 0.6625000       2.224000      0.7921000     -0.7128000       1.033000
  1 1 1       5   16   13 o    7.045000      0.3480000       7.045000 0.3480000                  ?              ?              ?              ?
  1 1 1       5   16   14 o    5.005000      0.2755000       4.957000 0.3967000       5.054000      0.3824000     -0.9723000E-01  0.5510000
  1 1 1       5   16   15 o    5.504000      0.3570000                  ?       ?   5.504000      0.3570000                  ?              ?
  1 1 1       5   16   16 o    5.301000      0.2675000       5.268000 0.4130000       5.334000      0.3399000     -0.6550000E-01  0.5349000
  1 1 1       5   16   17 o    6.443000      0.4390000       6.205000 0.7060000       6.680000      0.5221000     -0.4754000      0.8781000
  1 1 1       5   16   18 o    7.087000      0.3265000       7.167000 0.4782000       7.008000      0.4447000      0.1587000      0.6530000
  1 1 1       5   16   19 o    2.518000      0.5854000       3.280000 0.8882000       1.756000      0.7629000       1.524000       1.171000
  1 1 1       5   16   20 o    7.306000      0.2276000       7.151000 0.3418000       7.461000      0.3006000     -0.3095000      0.4552000
  1 1 1       5   16   21 o    2.319000      0.5003000       2.090000 0.7587000       2.548000      0.6523000     -0.4581000       1.001000
  1 1 1       5   16   22 o    3.649000      0.4742000       3.915000 0.8248000       3.382000      0.4681000      0.5327000      0.9484000
  1 1 1       5   16   23 o    2.195000      0.6146000       2.292000 0.9153000       2.098000      0.8203000      0.1941000       1.229000
  1 1 1       5   16   25 o    8.543000      0.2281000       8.415000 0.3301000       8.672000      0.3150000     -0.2577000      0.4563000
  1 1 1       5   16   26 o    7.112000      0.2542000       7.222000 0.3672000       7.002000      0.3515000      0.2205000      0.5083000
  1 1 1       5   16   27 o    7.193000      0.2584000       6.791000 0.3742000       7.596000      0.3566000     -0.8049000      0.5169000
  1 1 1       5   16   28 o    2.001000      0.5255000       1.739000 0.7096000       2.263000      0.7753000     -0.5239000       1.051000
  1 1 1       5   16   29 o    3.803000      0.4420000       3.986000 0.5913000       3.619000      0.6573000      0.3664000      0.8841000
  1 1 1       5   16   30 o    7.466000      0.2803000       7.062000 0.4083000       7.870000      0.3843000     -0.8084000      0.5607000
  1 1 1       5   16   31 o    4.449000      0.4392000       5.281000 0.5197000       3.618000      0.7081000       1.662000      0.8783000
  1 1 1       5   16   32 o    2.288000      0.5693000       2.779000 0.8375000       1.797000      0.7715000      0.9818000       1.139000
  1 1 1       5   16   33 o    2.149000      0.5702000       1.636000 0.7387000       2.661000      0.8689000      -1.024000       1.140000
  1 1 1       5   16   34 o    2.014000      0.5851000       2.070000 0.8291000       1.959000      0.8259000      0.1108000       1.170000
  1 1 1       5   17    0 f    3.953000      0.2148000       4.078000 0.2730000       3.828000      0.3316000      0.2504000      0.4295000
  1 1 1       5   17    1 o    5.079000      0.2007000       5.027000 0.2826000       5.130000      0.2849000     -0.1031000      0.4013000
  1 1 1       5   17    2 o    5.518000      0.7051000       6.192000 0.5612000       4.844000       1.294000       1.347000       1.410000
  1 1 1       5   17    3 o    7.249000      0.2415000       7.373000 0.3523000       7.125000      0.3303000      0.2484000      0.4830000
  1 1 1       5   17    4 o    6.747000      0.2778000       6.599000 0.4224000       6.896000      0.3609000     -0.2966000      0.5556000
  1 1 1       5   17    5 o    2.713000      0.6360000       2.600000 0.9873000       2.825000      0.8021000     -0.2252000       1.272000
  1 1 1       5   17    6 f    2.697000      0.6909000       2.869000 1.051000       2.526000      0.8970000      0.3429000       1.382000
  1 1 1       5   17    7 o    6.261000      0.4704000       6.578000 0.7212000       5.944000      0.6041000      0.6344000      0.9408000
  1 1 1       5   17    8 o    6.242000      0.5055000       6.036000 0.6586000       6.447000      0.7672000     -0.4117000       1.011000
  1 1 1       5   17    9 o    2.425000      0.6794000       1.974000 0.8466000       2.877000       1.063000     -0.9022000       1.359000
  1 1 1       5   17   10 o    5.247000      0.5336000       6.183000 0.5344000       4.311000      0.9238000       1.872000       1.067000
  1 1 1       5   17   11 o    4.108000      0.4399000       3.835000 0.6175000       4.381000      0.6266000     -0.5460000      0.8797000
  1 1 1       5   17   12 o    2.810000      0.7746000       1.615000 0.6831000       4.004000       1.390000      -2.388000       1.549000
  1 1 1       5   17   14 o    11.23000      0.5284000       10.34000 0.8742000       12.11000      0.5939000      -1.769000       1.057000
  1 1 1       5   17   15 o    6.496000      0.6616000       5.514000 1.158000       7.478000      0.6408000      -1.964000       1.323000
  1 1 1       5   17   16 f    6.295000      0.2512000       5.959000 0.3840000       6.631000      0.3239000     -0.6713000      0.5023000
  1 1 1       5   17   17 o    2.238000      0.5013000       2.549000 0.7373000       1.928000      0.6793000      0.6208000       1.003000
  1 1 1       5   17   18 o    2.035000      0.4721000       2.651000 0.7212000       1.419000      0.6094000       1.232000      0.9442000
  1 1 1       5   17   19 o    8.258000      0.2905000       8.779000 0.4212000       7.737000      0.4002000       1.042000      0.5810000
  1 1 1       5   17   20 o    3.651000      0.4863000       3.422000 0.7910000       3.880000      0.5659000     -0.4581000      0.9726000
  1 1 1       5   17   21 o    5.077000      0.4055000       5.115000 0.6281000       5.040000      0.5129000      0.7572000E-01  0.8109000
  1 1 1       5   17   22 o    9.389000      0.2259000       9.227000 0.3324000       9.551000      0.3061000     -0.3241000      0.4519000
  1 1 1       5   17   23 o    5.812000      0.2716000       5.483000 0.4179000       6.140000      0.3470000     -0.6578000      0.5432000
  1 1 1       5   17   24 o    4.410000      0.3481000       4.161000 0.5435000       4.660000      0.4350000     -0.4989000      0.6962000
  1 1 1       5   17   25 o    3.723000      0.4154000       3.833000 0.5792000       3.613000      0.5957000      0.2198000      0.8309000
  1 1 1       5   17   26 o    7.751000      0.2515000       7.648000 0.3633000       7.853000      0.3480000     -0.2051000      0.5030000
  1 1 1       5   17   27 o    4.374000      0.3846000       4.445000 0.5350000       4.303000      0.5526000      0.1428000      0.7691000
  1 1 1       5   17   28 o    3.785000      0.4524000       3.672000 0.6483000       3.898000      0.6313000     -0.2257000      0.9049000
  1 1 1       5   17   29 o    3.581000      0.4832000       3.707000 0.6756000       3.455000      0.6910000      0.2528000      0.9664000
  1 1 1       5   17   30 o    2.781000      0.5666000       3.289000 0.7782000       2.273000      0.8238000       1.017000       1.133000
  1 1 1       5   17   31 o    3.779000      0.4958000       3.388000 0.7723000       4.170000      0.6221000     -0.7819000      0.9917000
  1 1 1       5   17   32 o    1.643000      0.5238000       1.588000 0.7310000       1.698000      0.7505000     -0.1100000       1.048000
  1 1 1       5   17   33 o    2.049000      0.5591000       1.568000 0.7295000       2.531000      0.8475000     -0.9635000       1.118000
  1 1 1       5   17   34 o    2.986000      0.6289000       2.920000 0.8993000       3.053000      0.8793000     -0.1327000       1.258000
  1 1 1       5   18    0 o    6.885000      0.1934000       6.418000 0.2567000       7.352000      0.2893000     -0.9347000      0.3868000
  1 1 1       5   18    1 o    3.876000      0.2709000       4.256000 0.3277000       3.495000      0.4313000      0.7614000      0.5417000
  1 1 1       5   18    2 o    4.660000      0.5127000       3.785000 0.9619000       5.535000      0.3554000      -1.750000       1.025000
  1 1 1       5   18    3 o    6.448000      0.2539000       6.772000 0.3770000       6.123000      0.3402000      0.6484000      0.5078000
  1 1 1       5   18    4 o    2.677000      0.5534000       2.797000 0.8204000       2.556000      0.7429000      0.2410000       1.107000
  1 1 1       5   18    5 o    2.976000      0.7131000       2.891000 1.149000       3.062000      0.8451000     -0.1715000       1.426000
  1 1 1       5   18    6 o    2.536000      0.7606000       2.597000 1.192000       2.476000      0.9451000      0.1219000       1.521000
  1 1 1       5   18    7 o    2.794000      0.8688000       3.742000 1.516000       1.846000      0.8495000       1.896000       1.738000
  1 1 1       5   18    8 o    6.533000       1.153000       6.803000 2.054000       6.262000       1.047000      0.5412000       2.306000
  1 1 1       5   18    9 o    3.119000      0.9924000       3.351000 1.550000       2.888000       1.240000      0.4625000       1.985000
  1 1 1       5   18   10 o    5.309000      0.9093000       4.693000 1.393000       5.925000       1.169000      -1.232000       1.819000
  1 1 1       5   18   11 o    3.131000      0.4981000       2.863000 0.6198000       3.399000      0.7800000     -0.5367000      0.9962000
  1 1 1       5   18   12 o    10.14000      0.2827000       10.65000 0.4094000       9.627000      0.3899000       1.023000      0.5654000
  1 1 1       5   18   13 o    7.174000      0.5792000       7.781000 0.3751000       6.568000       1.096000       1.212000       1.158000
  1 1 1       5   18   14 o    9.299000      0.2677000       8.943000 0.3738000       9.656000      0.3833000     -0.7131000      0.5354000
  1 1 1       5   18   15 f    3.683000      0.4053000       3.508000 0.6269000       3.857000      0.5138000     -0.3495000      0.8106000
  1 1 1       5   18   16 o    1.966000      0.5174000       1.630000 0.7157000       2.303000      0.7473000     -0.6727000       1.035000
  1 1 1       5   18   17 o    6.936000      0.2838000       7.078000 0.4146000       6.795000      0.3877000      0.2832000      0.5677000
  1 1 1       5   18   18 o    2.912000      0.5098000       2.317000 0.8193000       3.508000      0.6069000      -1.191000       1.020000
  1 1 1       5   18   19 o    4.901000      0.3282000       4.583000 0.5206000       5.219000      0.3997000     -0.6352000      0.6564000
  1 1 1       5   18   20 o    5.436000      0.2894000       5.987000 0.4148000       4.885000      0.4036000       1.102000      0.5788000
  1 1 1       5   18   21 o    3.640000      0.4258000       3.535000 0.6789000       3.744000      0.5141000     -0.2086000      0.8516000
  1 1 1       5   18   22 o    3.508000      0.4604000       2.890000 0.7709000       4.125000      0.5038000      -1.235000      0.9209000
  1 1 1       5   18   23 f    3.185000      0.5134000       3.548000 0.7101000       2.821000      0.7416000      0.7269000       1.027000
  1 1 1       5   18   24 o    5.280000      0.3146000       5.036000 0.4823000       5.525000      0.4041000     -0.4887000      0.6292000
  1 1 1       5   18   25 o    4.956000      0.3310000       5.059000 0.4859000       4.853000      0.4495000      0.2055000      0.6619000
  1 1 1       5   18   26 o    4.396000      0.3834000       4.315000 0.5647000       4.478000      0.5188000     -0.1633000      0.7668000
  1 1 1       5   18   27 o    2.344000      0.5702000       2.549000 0.8197000       2.138000      0.7928000      0.4110000       1.140000
  1 1 1       5   18   28 o    2.832000      0.5655000       2.340000 0.8448000       3.324000      0.7518000     -0.9846000       1.131000
  1 1 1       5   18   29 o    3.034000      0.5874000       2.877000 0.8748000       3.192000      0.7841000     -0.3149000       1.175000
  1 1 1       5   18   30 f    1.936000      0.5606000       1.787000 0.7758000       2.085000      0.8093000     -0.2976000       1.121000
  1 1 1       5   18   31 o    2.607000      0.5622000       1.781000 0.7895000       3.432000      0.8007000      -1.651000       1.124000
  1 1 1       5   18   32 o    4.194000      0.4980000       4.145000 0.7135000       4.242000      0.6949000     -0.9721000E-01  0.9960000
  1 1 1       5   18   33 o    2.808000      0.6272000       3.052000 0.8908000       2.565000      0.8831000      0.4875000       1.254000
  1 1 1       5   19    0 o    4.974000      0.2229000       4.942000 0.3062000       5.005000      0.3239000     -0.6325000E-01  0.4457000
  1 1 1       5   19    1 o    7.221000      0.2161000       6.929000 0.2960000       7.512000      0.3150000     -0.5833000      0.4323000
  1 1 1       5   19    2 o    12.86000      0.2686000       12.88000 0.3586000       12.83000      0.3999000      0.5148000E-01  0.5371000
  1 1 1       5   19    3 o    2.120000      0.5238000       2.290000 0.7707000       1.951000      0.7097000      0.3396000       1.048000
  1 1 1       5   19    4 o    3.660000      0.4738000       3.795000 0.7075000       3.526000      0.6304000      0.2692000      0.9476000
  1 1 1       5   19    5 o    2.157000      0.6456000       1.889000 0.9169000       2.426000      0.9093000     -0.5371000       1.291000
  1 1 1       5   19    6 o    2.381000      0.7038000       2.563000 1.088000       2.199000      0.8933000      0.3642000       1.408000
  1 1 1       5   19    7 o    5.231000      0.5879000       5.001000 0.9368000       5.461000      0.7107000     -0.4598000       1.176000
  1 1 1       5   19    8 o    2.363000      0.6778000       2.478000 0.9409000       2.249000      0.9761000      0.2288000       1.356000
  1 1 1       5   19    9 o    1.851000      0.5922000       1.848000 0.7933000       1.854000      0.8793000     -0.6408000E-02   1.184000
  1 1 1       5   19   10 f    7.109000      0.4070000       7.545000 0.5207000       6.672000      0.6257000      0.8727000      0.8140000
  1 1 1       5   19   11 o    1.865000      0.5602000       1.891000 0.7739000       1.838000      0.8102000      0.5292000E-01   1.120000
  1 1 1       5   19   12 o    9.182000      0.3005000       8.834000 0.3858000       9.530000      0.4607000     -0.6963000      0.6009000
  1 1 1       5   19   13 o    13.31000      0.3255000       13.39000 0.4539000       13.23000      0.4667000      0.1619000      0.6510000
  1 1 1       5   19   14 o    5.681000      0.3080000       5.749000 0.4726000       5.613000      0.3950000      0.1367000      0.6159000
  1 1 1       5   19   15 o    1.497000      0.4790000       1.364000 0.6411000       1.630000      0.7120000     -0.2652000      0.9581000
  1 1 1       5   19   16 o    1.586000      0.4884000       1.616000 0.7047000       1.556000      0.6764000      0.5975000E-01  0.9768000
  1 1 1       5   19   17 f    3.960000      0.4158000       3.664000 0.6817000       4.256000      0.4764000     -0.5923000      0.8317000
  1 1 1       5   19   18 o    2.457000      0.5540000       2.483000 0.8275000       2.430000      0.7369000      0.5291000E-01   1.108000
  1 1 1       5   19   19 o    2.843000      0.5355000       2.564000 0.8248000       3.122000      0.6831000     -0.5586000       1.071000
  1 1 1       5   19   20 o    5.977000      0.2946000       5.889000 0.4583000       6.064000      0.3704000     -0.1751000      0.5893000
  1 1 1       5   19   21 o    3.253000      0.4926000       3.182000 0.7831000       3.325000      0.5978000     -0.1430000      0.9852000
  1 1 1       5   19   22 o    3.902000      0.4503000       3.764000 0.7196000       4.041000      0.5414000     -0.2770000      0.9005000
  1 1 1       5   19   23 o    9.736000      0.2518000       9.787000 0.3717000       9.685000      0.3397000      0.1017000      0.5035000
  1 1 1       5   19   24 o    6.964000      0.2913000       6.920000 0.4412000       7.008000      0.3804000     -0.8831000E-01  0.5826000
  1 1 1       5   19   25 o    2.590000      0.5919000       2.762000 0.8725000       2.417000      0.8000000      0.3444000       1.184000
  1 1 1       5   19   26 o    1.542000      0.4950000       1.696000 0.7450000       1.388000      0.6521000      0.3077000      0.9900000
  1 1 1       5   19   27 o    4.471000      0.4137000       4.887000 0.5613000       4.055000      0.6078000      0.8318000      0.8273000
  1 1 1       5   19   28 f    2.417000      0.5827000       2.864000 0.8540000       1.970000      0.7931000      0.8941000       1.165000
  1 1 1       5   19   29 o    2.292000      0.5960000       2.510000 0.8741000       2.075000      0.8104000      0.4348000       1.192000
  1 1 1       5   19   30 o    4.154000      0.5239000       4.623000 0.6967000       3.686000      0.7826000      0.9364000       1.048000
  1 1 1       5   19   31 o    5.806000      0.4044000       5.532000 0.6217000       6.079000      0.5172000     -0.5469000      0.8088000
  1 1 1       5   19   32 o    3.629000      0.5922000       3.530000 0.8396000       3.729000      0.8355000     -0.1988000       1.184000
  1 1 1       5   20    0 o    8.231000      0.5900000       8.553000 0.5221000       7.909000       1.058000      0.6436000       1.180000
  1 1 1       5   20    1 o    5.721000      0.7738000       6.458000 0.6395000       4.984000       1.409000       1.474000       1.548000
  1 1 1       5   20    2 o    5.954000      0.8685000       6.980000 0.9199000       4.928000       1.473000       2.052000       1.737000
  1 1 1       5   20    3 o    5.413000      0.8233000       6.779000 1.020000       4.048000       1.293000       2.731000       1.647000
  1 1 1       5   20    4 o    5.603000      0.8050000       5.631000 1.212000       5.574000       1.060000      0.5728000E-01   1.610000
  1 1 1       5   20    5 o    2.436000      0.7842000       2.448000 1.109000       2.424000       1.109000      0.2365000E-01   1.568000
  1 1 1       5   20    6 o    5.096000      0.9071000       6.438000 1.017000       3.753000       1.503000       2.685000       1.814000
  1 1 1       5   20    7 o    5.568000      0.9564000       6.096000 1.072000       5.040000       1.584000       1.056000       1.913000
  1 1 1       5   20    8 o    3.043000      0.7683000       3.127000 0.9685000       2.958000       1.193000      0.1694000       1.537000
  1 1 1       5   20    9 o    4.167000      0.8149000       3.348000 0.9123000       4.986000       1.351000      -1.638000       1.630000
  1 1 1       5   20   10 o    4.762000      0.5897000       4.505000 0.7697000       5.019000      0.8938000     -0.5139000       1.179000
  1 1 1       5   20   11 o    2.591000      0.5963000       3.005000 0.8036000       2.177000      0.8811000      0.8281000       1.193000
  1 1 1       5   20   12 o    5.300000      0.3958000       5.100000 0.5443000       5.501000      0.5747000     -0.4010000      0.7916000
  1 1 1       5   20   13 o    7.087000      0.3094000       7.258000 0.4325000       6.916000      0.4425000      0.3421000      0.6187000
  1 1 1       5   20   14 o    4.776000      0.5589000       4.776000 0.5589000                  ?              ?              ?              ?
  1 1 1       5   20   15 o    2.348000      0.5550000       2.806000 0.8043000       1.890000      0.7650000      0.9153000       1.110000
  1 1 1       5   20   16 o    2.169000      0.7761000                  ?       ?   2.169000      0.7761000                  ?              ?
  1 1 1       5   20   17 o    3.253000      0.5321000       3.074000 0.8433000       3.432000      0.6490000     -0.3580000       1.064000
  1 1 1       5   20   18 o    5.787000      0.3322000       5.356000 0.5356000       6.218000      0.3931000     -0.8620000      0.6644000
  1 1 1       5   20   19 o    3.135000      0.5212000       2.778000 0.8495000       3.491000      0.6040000     -0.7130000       1.042000
  1 1 1       5   20   20 o    4.294000      0.4359000       4.232000 0.6892000       4.355000      0.5339000     -0.1239000      0.8718000
  1 1 1       5   20   21 o    3.461000      0.5064000       3.696000 0.7414000       3.227000      0.6901000      0.4687000       1.013000
  1 1 1       5   20   22 o    3.855000      0.4587000       4.112000 0.6591000       3.597000      0.6381000      0.5146000      0.9174000
  1 1 1       5   20   23 o    7.518000      0.2866000       7.193000 0.4457000       7.843000      0.3605000     -0.6500000      0.5732000
  1 1 1       5   20   24 o    2.148000      0.5777000       2.031000 0.8373000       2.265000      0.7962000     -0.2341000       1.155000
  1 1 1       5   20   25 o    5.217000      0.4024000       4.802000 0.6500000       5.632000      0.4746000     -0.8302000      0.8048000
  1 1 1       5   20   26 o    6.870000      0.3181000       6.903000 0.4803000       6.836000      0.4173000      0.6690000E-01  0.6363000
  1 1 1       5   20   27 o    3.025000      0.5967000       2.558000 0.9087000       3.492000      0.7736000     -0.9344000       1.193000
  1 1 1       5   20   28 o    2.713000      0.6029000       3.231000 0.8651000       2.195000      0.8401000       1.035000       1.206000
  1 1 1       5   20   29 o    7.388000      0.3219000       7.269000 0.4718000       7.507000      0.4380000     -0.2385000      0.6438000
  1 1 1       5   20   30 o    2.268000      0.6316000       2.237000 0.9081000       2.300000      0.8782000     -0.6240000E-01   1.263000
  1 1 1       5   20   31 o    4.530000      0.5333000       4.102000 0.8225000       4.957000      0.6790000     -0.8551000       1.067000
  1 1 1       5   20   32 o    1.988000      0.5957000       1.917000 0.8338000       2.059000      0.8509000     -0.1423000       1.191000
  1 1 1       5   21    0 o    7.794000      0.2215000       7.410000 0.2872000       8.178000      0.3372000     -0.7678000      0.4429000
  1 1 1       5   21    1 o    6.557000      0.2537000       6.542000 0.3432000       6.572000      0.3739000     -0.2945000E-01  0.5075000
  1 1 1       5   21    2 o    3.278000      0.4536000       3.563000 0.6272000       2.992000      0.6554000      0.5712000      0.9071000
  1 1 1       5   21    3 o    3.196000      0.4813000       2.835000 0.7797000       3.556000      0.5645000     -0.7206000      0.9626000
  1 1 1       5   21    4 o    3.036000      0.5538000       2.932000 0.8431000       3.140000      0.7183000     -0.2079000       1.108000
  1 1 1       5   21    5 o    6.181000      0.4559000       6.940000 0.6764000       5.422000      0.6115000       1.518000      0.9119000
  1 1 1       5   21    6 o    6.373000      0.4988000       6.909000 0.7693000       5.837000      0.6352000       1.072000      0.9977000
  1 1 1       5   21    7 o    4.228000      0.7032000       4.515000 1.061000       3.941000      0.9233000      0.5740000       1.406000
  1 1 1       5   21    8 o    4.479000      0.8023000       5.442000 0.8109000       3.516000       1.385000       1.926000       1.605000
  1 1 1       5   21    9 o    4.285000      0.7313000       4.234000 0.9600000       4.337000       1.103000     -0.1030000       1.463000
  1 1 1       5   21   10 o    3.206000      0.7449000       3.551000 0.9995000       2.862000       1.105000      0.6895000       1.490000
  1 1 1       5   21   11 o    4.364000      0.5130000       5.636000 0.5265000       3.093000      0.8806000       2.543000       1.026000
  1 1 1       5   21   12 o    7.434000      0.3532000       7.852000 0.4495000       7.016000      0.5450000      0.8363000      0.7064000
  1 1 1       5   21   13 o    6.622000      0.3480000       6.647000 0.4603000       6.596000      0.5222000      0.5103000E-01  0.6961000
  1 1 1       5   21   14 o    6.590000      0.5023000       6.590000 0.5023000                  ?              ?              ?              ?
  1 1 1       5   21   15 o    2.210000      0.5710000       2.676000 0.8609000       1.745000      0.7503000      0.9313000       1.142000
  1 1 1       5   21   16 o    5.214000      0.4927000                  ?       ?   5.214000      0.4927000                  ?              ?
  1 1 1       5   21   17 o    6.109000      0.3248000       6.112000 0.4947000       6.106000      0.4209000      0.6671000E-02  0.6495000
  1 1 1       5   21   18 o    5.259000      0.3552000       5.753000 0.5109000       4.764000      0.4938000      0.9889000      0.7105000
  1 1 1       5   21   19 o    3.001000      0.5453000       2.478000 0.8595000       3.524000      0.6711000      -1.046000       1.091000
  1 1 1       5   21   20 o    5.899000      0.3658000       5.509000 0.5870000       6.288000      0.4367000     -0.7790000      0.7317000
  1 1 1       5   21   21 o    5.571000      0.3717000       5.185000 0.5976000       5.956000      0.4421000     -0.7715000      0.7433000
  1 1 1       5   21   22 o    5.080000      0.3981000       4.720000 0.6312000       5.440000      0.4854000     -0.7198000      0.7962000
  1 1 1       5   21   23 f    3.527000      0.5433000       3.191000 0.8752000       3.863000      0.6441000     -0.6723000       1.087000
  1 1 1       5   21   24 o    5.772000      0.3630000       5.705000 0.5536000       5.838000      0.4696000     -0.1332000      0.7260000
  1 1 1       5   21   25 o    8.059000      0.3058000       8.257000 0.4529000       7.860000      0.4110000      0.3963000      0.6116000
  1 1 1       5   21   26 o    3.650000      0.5795000       3.655000 0.8911000       3.645000      0.7413000      0.9890000E-02   1.159000
  1 1 1       5   21   27 o    1.543000      0.5126000       1.445000 0.6997000       1.642000      0.7494000     -0.1967000       1.025000
  1 1 1       5   21   28 o    5.174000      0.5730000       5.537000 0.9431000       4.811000      0.6512000      0.7262000       1.146000
  1 1 1       5   21   29 o    5.253000      0.4412000       5.584000 0.6295000       4.922000      0.6182000      0.6624000      0.8823000
  1 1 1       5   21   30 o    2.442000      0.7313000       2.520000 1.039000       2.363000       1.030000      0.1565000       1.463000
  1 1 1       5   21   31 o    2.107000      0.6750000       1.951000 0.9018000       2.263000       1.005000     -0.3128000       1.350000
  1 1 1       5   22    0 o    3.543000      0.3262000       3.761000 0.4335000       3.325000      0.4876000      0.4360000      0.6525000
  1 1 1       5   22    1 o    10.74000      0.2546000       10.19000 0.3363000       11.30000      0.3824000      -1.110000      0.5092000
  1 1 1       5   22    2 o    3.920000      0.4112000       3.495000 0.6727000       4.346000      0.4731000     -0.8508000      0.8224000
  1 1 1       5   22    3 o    4.873000      0.3436000       4.868000 0.5195000       4.879000      0.4499000     -0.1137000E-01  0.6872000
  1 1 1       5   22    4 o    8.102000      0.3255000       7.508000 0.4795000       8.697000      0.4403000      -1.189000      0.6509000
  1 1 1       5   22    5 o    6.276000      0.8789000       7.459000 0.6731000       5.092000       1.624000       2.367000       1.758000
  1 1 1       5   22    6 o    3.198000      0.7714000       3.842000 1.182000       2.554000      0.9911000       1.288000       1.543000
  1 1 1       5   22    7 o    3.132000      0.6702000       2.083000 0.9532000       4.181000      0.9424000      -2.098000       1.340000
  1 1 1       5   22    8 o    6.802000      0.5366000       8.266000 0.5820000       5.338000      0.9017000       2.928000       1.073000
  1 1 1       5   22    9 o    4.893000      0.7125000       5.644000 0.8075000       4.142000       1.174000       1.502000       1.425000
  1 1 1       5   22   10 o    2.047000      0.6592000       2.167000 0.9492000       1.926000      0.9151000      0.2403000       1.318000
  1 1 1       5   22   11 o    3.167000      0.6256000       2.526000 0.9159000       3.808000      0.8524000      -1.282000       1.251000
  1 1 1       5   22   12 o    2.515000      0.6121000       2.942000 0.8753000       2.088000      0.8558000      0.8543000       1.224000
  1 1 1       5   22   13 o    2.167000      0.6114000       2.188000 0.8514000       2.146000      0.8777000      0.4202000E-01   1.223000
  1 1 1       5   22   14 o    5.706000      0.3910000       6.251000 0.4911000       5.161000      0.6086000       1.090000      0.7820000
  1 1 1       5   22   15 o    3.134000      0.5751000       2.749000 0.8785000       3.518000      0.7424000     -0.7685000       1.150000
  1 1 1       5   22   16 o    4.524000      0.4558000       4.318000 0.7081000       4.731000      0.5742000     -0.4139000      0.9117000
  1 1 1       5   22   17 f    2.282000      0.6149000       2.381000 0.9011000       2.183000      0.8369000      0.1982000       1.230000
  1 1 1       5   22   18 o    5.682000      0.3491000       5.685000 0.5351000       5.679000      0.4483000      0.5672000E-02  0.6981000
  1 1 1       5   22   19 o    5.714000      0.3729000       5.071000 0.6068000       6.357000      0.4338000      -1.286000      0.7459000
  1 1 1       5   22   20 o    3.882000      0.5377000       4.011000 0.7948000       3.752000      0.7244000      0.2589000       1.075000
  1 1 1       5   22   21 o    2.279000      0.6182000       2.499000 0.9235000       2.060000      0.8221000      0.4385000       1.236000
  1 1 1       5   22   22 o    4.103000      0.5187000       3.658000 0.8602000       4.549000      0.5799000     -0.8903000       1.037000
  1 1 1       5   22   23 o    3.848000      0.5548000       3.777000 0.8804000       3.919000      0.6753000     -0.1417000       1.110000
  1 1 1       5   22   24 o    7.558000      0.3216000       7.336000 0.4910000       7.780000      0.4156000     -0.4439000      0.6432000
  1 1 1       5   22   25 o    1.915000      0.5841000       1.843000 0.8273000       1.988000      0.8247000     -0.1447000       1.168000
  1 1 1       5   22   26 o    4.535000      0.5405000       3.583000 0.9235000       5.487000      0.5621000      -1.904000       1.081000
  1 1 1       5   22   27 o    2.745000      0.6462000       3.081000 0.9805000       2.408000      0.8421000      0.6733000       1.292000
  1 1 1       5   22   28 o    2.935000      0.8130000       3.508000 1.247000       2.362000       1.044000       1.146000       1.626000
  1 1 1       5   22   29 o    4.161000      0.8241000       4.079000 1.163000       4.244000       1.168000     -0.1648000       1.648000
  1 1 1       5   22   30 o    1.929000      0.6043000       1.903000 0.8521000       1.955000      0.8572000     -0.5180000E-01   1.209000
  1 1 1       5   23    0 o    8.870000      0.7637000       10.01000 0.3342000       7.735000       1.490000       2.270000       1.527000
  1 1 1       5   23    1 o    6.297000      0.3101000       5.979000 0.4524000       6.615000      0.4243000     -0.6359000      0.6203000
  1 1 1       5   23    2 o    3.873000      0.4787000       4.098000 0.6623000       3.649000      0.6914000      0.4493000      0.9574000
  1 1 1       5   23    3 o    3.640000      0.4952000       3.833000 0.7238000       3.447000      0.6762000      0.3859000      0.9905000
  1 1 1       5   23    4 o    2.708000      0.6386000       2.648000 0.9237000       2.768000      0.8821000     -0.1198000       1.277000
  1 1 1       5   23    5 o    3.615000      0.7563000       3.695000 1.116000       3.534000       1.021000      0.1610000       1.513000
  1 1 1       5   23    6 o    4.188000      0.6420000       2.481000 1.067000       5.896000      0.7141000      -3.414000       1.284000
  1 1 1       5   23    7 o    3.762000      0.7518000       4.550000 1.047000       2.974000       1.079000       1.575000       1.504000
  1 1 1       5   23    8 o    2.397000      0.7053000       2.565000 1.021000       2.229000      0.9732000      0.3360000       1.411000
  1 1 1       5   23    9 o    2.777000      0.7731000       2.900000 1.069000       2.655000       1.117000      0.2454000       1.546000
  1 1 1       5   23   10 f    4.913000      0.7426000       4.801000 0.9703000       5.025000       1.124000     -0.2242000       1.485000
  1 1 1       5   23   11 o    3.306000      0.7253000       3.467000 0.9890000       3.145000       1.061000      0.3228000       1.451000
  1 1 1       5   23   12 o    2.248000      0.6439000       2.378000 0.9203000       2.117000      0.9007000      0.2610000       1.288000
  1 1 1       5   23   13 o    3.036000      0.7017000       2.893000 0.9357000       3.179000       1.046000     -0.2858000       1.403000
  1 1 1       5   23   14 o    3.175000      0.6536000       2.706000 0.9101000       3.644000      0.9385000     -0.9379000       1.307000
  1 1 1       5   23   15 o    3.188000      0.5659000       4.056000 0.6962000       2.321000      0.8925000       1.734000       1.132000
  1 1 1       5   23   16 o    1.504000      0.4844000       1.229000 0.6045000       1.779000      0.7570000     -0.5492000      0.9688000
  1 1 1       5   23   17 o    1.902000      0.5709000       1.882000 0.8063000       1.922000      0.8085000     -0.4025000E-01   1.142000
  1 1 1       5   23   18 o    2.045000      0.5752000       1.805000 0.7985000       2.286000      0.8282000     -0.4807000       1.150000
  1 1 1       5   23   19 o    5.978000      0.3680000       5.744000 0.5681000       6.212000      0.4680000     -0.4684000      0.7361000
  1 1 1       5   23   20 o    4.684000      0.4717000       4.465000 0.7384000       4.903000      0.5872000     -0.4378000      0.9434000
  1 1 1       5   23   21 o    4.660000      0.4845000       4.762000 0.7228000       4.558000      0.6454000      0.2046000      0.9690000
  1 1 1       5   23   22 o    2.214000      0.6341000       2.257000 0.9442000       2.170000      0.8465000      0.8680000E-01   1.268000
  1 1 1       5   23   23 o    2.396000      0.6428000       2.088000 0.9079000       2.704000      0.9103000     -0.6160000       1.286000
  1 1 1       5   23   24 o    2.150000      0.5990000       2.087000 0.8950000       2.213000      0.7964000     -0.1254000       1.198000
  1 1 1       5   23   25 o    3.345000      0.8351000       2.888000 1.137000       3.802000       1.223000     -0.9141000       1.670000
  1 1 1       5   23   26 o    3.678000      0.8188000       2.955000 1.154000       4.401000       1.161000      -1.445000       1.638000
  1 1 1       5   23   27 o    2.432000      0.6441000       2.011000 0.8986000       2.854000      0.9231000     -0.8425000       1.288000
  1 1 1       5   23   28 o    2.276000      0.6688000       2.456000 1.004000       2.096000      0.8836000      0.3601000       1.338000
  1 1 1       5   23   29 o    2.445000      0.7157000       2.028000 0.9556000       2.861000       1.066000     -0.8335000       1.431000
  1 1 1       5   24    0 o    6.557000      0.2681000       6.464000 0.3710000       6.650000      0.3870000     -0.1860000      0.5361000
  1 1 1       5   24    1 o    12.16000      0.2830000       12.46000 0.3819000       11.86000      0.4178000      0.5938000      0.5660000
  1 1 1       5   24    2 o    3.624000      0.5474000       4.602000 0.6712000       2.646000      0.8648000       1.957000       1.095000
  1 1 1       5   24    3 o    3.176000      0.5704000       3.044000 0.8729000       3.308000      0.7343000     -0.2636000       1.141000
  1 1 1       5   24    4 o    2.847000      0.6615000       2.739000 0.9757000       2.954000      0.8935000     -0.2150000       1.323000
  1 1 1       5   24    5 o    3.015000      0.7388000       3.021000 1.113000       3.008000      0.9721000      0.1338000E-01   1.478000
  1 1 1       5   24    6 o    6.092000      0.6381000       5.605000 1.050000       6.579000      0.7261000     -0.9744000       1.276000
  1 1 1       5   24    7 f    3.245000      0.7860000       2.790000 1.145000       3.699000       1.078000     -0.9090000       1.572000
  1 1 1       5   24    8 o    2.609000      0.7380000       2.145000 0.9652000       3.074000       1.117000     -0.9291000       1.476000
  1 1 1       5   24    9 o    3.629000      0.7418000       4.731000 0.9863000       2.527000       1.108000       2.204000       1.484000
  1 1 1       5   24   10 o    6.335000      0.6004000       6.721000 0.6923000       5.949000      0.9810000      0.7726000       1.201000
  1 1 1       5   24   11 o    3.501000      0.7253000       3.082000 0.9749000       3.920000       1.074000     -0.8382000       1.451000
  1 1 1       5   24   12 o    2.581000      0.6693000       2.060000 0.8545000       3.103000       1.030000      -1.043000       1.339000
  1 1 1       5   24   13 o    3.136000      0.6656000       2.739000 0.9233000       3.533000      0.9590000     -0.7940000       1.331000
  1 1 1       5   24   14 o    7.079000      0.3842000       7.071000 0.5669000       7.087000      0.5186000     -0.1623000E-01  0.7683000
  1 1 1       5   24   15 o    7.184000      0.3479000       8.039000 0.5162000       6.328000      0.4666000       1.711000      0.6959000
  1 1 1       5   24   16 o    3.942000      0.5493000       3.837000 0.7808000       4.046000      0.7728000     -0.2088000       1.099000
  1 1 1       5   24   17 o    3.389000      0.6124000       3.391000 0.8462000       3.387000      0.8854000      0.3918000E-02   1.225000
  1 1 1       5   24   18 o    4.828000      0.5201000       4.846000 0.8245000       4.809000      0.6343000      0.3671000E-01   1.040000
  1 1 1       5   24   19 o    2.489000      0.6344000       2.778000 0.9399000       2.200000      0.8522000      0.5773000       1.269000
  1 1 1       5   24   20 o    5.174000      0.4785000       4.654000 0.7893000       5.694000      0.5412000      -1.039000      0.9570000
  1 1 1       5   24   21 o    4.201000      0.9067000       4.303000 1.347000       4.099000       1.214000      0.2038000       1.813000
  1 1 1       5   24   22 o    4.146000      0.9541000       4.548000 1.415000       3.744000       1.281000      0.8033000       1.908000
  1 1 1       5   24   23 o    3.348000      0.9022000       2.847000 1.237000       3.849000       1.314000      -1.002000       1.804000
  1 1 1       5   24   24 o    4.043000      0.6179000       3.040000 1.029000       5.045000      0.6846000      -2.005000       1.236000
  1 1 1       5   24   25 o    2.914000      0.6891000       3.428000 1.002000       2.400000      0.9463000       1.027000       1.378000
  1 1 1       5   24   26 o    2.989000      0.7663000       3.423000 1.242000       2.554000      0.8983000      0.8688000       1.533000
  1 1 1       5   24   27 o    2.674000      0.7825000       2.691000 1.153000       2.656000       1.058000      0.3439000E-01   1.565000
  1 1 1       5   24   28 o    2.488000      0.7224000       2.048000 0.9738000       2.928000       1.067000     -0.8800000       1.445000
  1 1 1       5   25    0 o    1.814000      0.5090000       2.161000 0.7635000       1.467000      0.6734000      0.6937000       1.018000
  1 1 1       5   25    1 o    4.474000      0.4339000       4.477000 0.5982000       4.470000      0.6288000      0.6666000E-02  0.8679000
  1 1 1       5   25    2 o    4.285000      0.5188000       4.479000 0.7514000       4.091000      0.7156000      0.3877000       1.038000
  1 1 1       5   25    3 o    4.225000      0.4812000       4.498000 0.6930000       3.952000      0.6677000      0.5459000      0.9623000
  1 1 1       5   25    4 o    1.943000      0.5830000       1.477000 0.7185000       2.408000      0.9185000     -0.9304000       1.166000
  1 1 1       5   25    5 o    4.525000      0.6877000       3.941000 1.113000       5.108000      0.8085000      -1.168000       1.375000
  1 1 1       5   25    6 o    6.577000      0.5752000       7.110000 0.8386000       6.044000      0.7876000       1.066000       1.150000
  1 1 1       5   25    7 f    5.110000      0.7482000       5.428000 1.092000       4.793000       1.023000      0.6350000       1.496000
  1 1 1       5   25    8 o    4.305000      0.7427000       4.176000 1.063000       4.433000       1.037000     -0.2570000       1.485000
  1 1 1       5   25    9 o    5.527000      0.8788000       5.141000 0.9447000       5.912000       1.482000     -0.7716000       1.758000
  1 1 1       5   25   10 o    3.081000      0.8051000       2.466000 0.9976000       3.696000       1.264000      -1.230000       1.610000
  1 1 1       5   25   11 o    2.876000      0.8021000       2.620000 1.149000       3.132000       1.120000     -0.5124000       1.604000
  1 1 1       5   25   12 o    5.213000      0.4936000       5.065000 0.6290000       5.360000      0.7607000     -0.2951000      0.9871000
  1 1 1       5   25   13 o    3.290000      0.6543000       3.396000 0.8695000       3.184000      0.9780000      0.2122000       1.309000
  1 1 1       5   25   14 o    7.621000      0.4282000       7.501000 0.6125000       7.741000      0.5986000     -0.2399000      0.8564000
  1 1 1       5   25   15 o    2.577000      0.8907000       2.577000 0.8907000                  ?              ?              ?              ?
  1 1 1       5   25   16 o    2.064000      0.5523000       2.767000 0.8854000       1.362000      0.6603000       1.406000       1.105000
  1 1 1       5   25   17 o    4.127000       1.491000                  ?       ?   4.127000       1.491000                  ?              ?
  1 1 1       5   25   18 o    4.007000      0.9616000       3.123000 1.267000       4.891000       1.447000      -1.768000       1.923000
  1 1 1       5   25   19 o    4.579000      0.8500000       3.320000 1.327000       5.838000       1.063000      -2.518000       1.700000
  1 1 1       5   25   20 o    6.343000      0.3931000       6.208000 0.5983000       6.478000      0.5100000     -0.2703000      0.7862000
  1 1 1       5   25   21 o    7.438000      0.4069000       7.373000 0.6577000       7.503000      0.4792000     -0.1302000      0.8138000
  1 1 1       5   25   22 o    3.519000      0.6318000       2.582000 0.9937000       4.456000      0.7804000      -1.874000       1.264000
  1 1 1       5   25   23 o    2.366000      0.6988000       2.959000 1.132000       1.774000      0.8194000       1.186000       1.398000
  1 1 1       5   25   24 o    2.539000      0.7085000       1.970000 0.9263000       3.107000       1.072000      -1.137000       1.417000
  1 1 1       5   25   25 o    3.182000      0.7568000       4.164000 1.177000       2.199000      0.9521000       1.964000       1.514000
  1 1 1       5   25   26 o    2.873000      0.7239000       3.306000 1.070000       2.439000      0.9756000      0.8672000       1.448000
  1 1 1       5   25   27 o    2.802000      0.6819000       2.316000 0.9684000       3.287000      0.9601000     -0.9713000       1.364000
  1 1 1       5   26    0 o    8.196000      0.3029000       8.162000 0.4173000       8.229000      0.4391000     -0.6668000E-01  0.6057000
  1 1 1       5   26    1 o    7.597000      0.3208000       7.550000 0.4610000       7.645000      0.4462000     -0.9476000E-01  0.6416000
  1 1 1       5   26    2 o    6.083000      0.4235000       5.571000 0.6400000       6.596000      0.5549000      -1.025000      0.8471000
  1 1 1       5   26    3 o    5.123000      0.4677000       4.964000 0.6902000       5.282000      0.6312000     -0.3183000      0.9353000
  1 1 1       5   26    4 o    9.438000      0.3450000       9.363000 0.5055000       9.514000      0.4698000     -0.1513000      0.6901000
  1 1 1       5   26    5 o    5.124000      0.6826000       5.799000 0.9104000       4.448000       1.017000       1.351000       1.365000
  1 1 1       5   26    6 o    3.077000      0.8401000       3.531000 1.281000       2.623000       1.087000      0.9079000       1.680000
  1 1 1       5   26    7 o    2.548000      0.7603000       2.714000 1.125000       2.382000       1.023000      0.3324000       1.521000
  1 1 1       5   26    8 o    2.831000      0.7719000       2.980000 1.099000       2.683000       1.084000      0.2971000       1.544000
  1 1 1       5   26    9 o    4.753000      0.8133000       3.313000 1.343000       6.192000      0.9179000      -2.878000       1.627000
  1 1 1       5   26   10 o    6.459000      0.5694000       5.792000 0.7983000       7.127000      0.8122000      -1.334000       1.139000
  1 1 1       5   26   11 o    2.803000      0.8470000       2.231000 0.9105000       3.375000       1.429000      -1.143000       1.694000
  1 1 1       5   26   12 o    4.144000      0.9569000       3.521000 1.277000       4.768000       1.425000      -1.247000       1.914000
  1 1 1       5   26   13 f    4.074000      0.9433000       3.259000 1.267000       4.889000       1.398000      -1.630000       1.887000
  1 1 1       5   26   14 o    2.950000      0.9007000       3.171000 1.304000       2.728000       1.243000      0.4427000       1.801000
  1 1 1       5   26   15 o    4.242000       1.248000       4.242000 1.248000                  ?              ?              ?              ?
  1 1 1       5   26   16 o    4.076000      0.6095000       4.103000 0.8354000       4.049000      0.8878000      0.5388000E-01   1.219000
  1 1 1       5   26   17 o    4.932000      0.6365000                  ?       ?   4.932000      0.6365000                  ?              ?
  1 1 1       5   26   18 o    5.226000      0.4892000       5.821000 0.6524000       4.631000      0.7292000       1.190000      0.9784000
  1 1 1       5   26   19 o    2.637000      0.6507000       2.618000 0.9520000       2.656000      0.8872000     -0.3760000E-01   1.301000
  1 1 1       5   26   20 o    1.960000      0.6197000       2.406000 0.9997000       1.514000      0.7326000      0.8918000       1.239000
  1 1 1       5   26   21 o    2.631000      0.7142000       2.683000 1.067000       2.579000      0.9498000      0.1040000       1.428000
  1 1 1       5   26   22 o    2.462000      0.6814000       2.735000 1.019000       2.189000      0.9052000      0.5454000       1.363000
  1 1 1       5   26   23 o    2.201000      0.6590000       2.500000 1.007000       1.902000      0.8500000      0.5971000       1.318000
  1 1 1       5   26   24 f    3.849000      0.7061000       4.512000 0.9731000       3.187000       1.023000       1.325000       1.412000
  1 1 1       5   26   25 o    2.914000      0.6990000       2.241000 0.9865000       3.586000      0.9905000      -1.346000       1.398000
  1 1 1       5   26   26 o    2.003000      0.6415000       2.123000 0.9502000       1.883000      0.8623000      0.2405000       1.283000
  1 1 1       5   27    0 o    6.598000      0.3828000       6.425000 0.5139000       6.771000      0.5675000     -0.3462000      0.7656000
  1 1 1       5   27    1 f    7.897000      0.3457000       7.981000 0.4806000       7.813000      0.4969000      0.1677000      0.6913000
  1 1 1       5   27    2 o    2.945000      0.6744000       3.010000 1.000000       2.880000      0.9047000      0.1305000       1.349000
  1 1 1       5   27    3 o    3.781000      0.6838000       4.434000 0.9388000       3.128000      0.9944000       1.306000       1.368000
  1 1 1       5   27    4 o    5.104000      0.5648000       4.728000 0.9156000       5.479000      0.6615000     -0.7513000       1.130000
  1 1 1       5   27    6 o    6.923000      0.7289000       6.745000 1.206000       7.101000      0.8191000     -0.3562000       1.458000
  1 1 1       5   27    7 o    4.155000      0.9743000       4.615000 1.511000       3.696000       1.231000      0.9196000       1.949000
  1 1 1       5   27    8 o    4.820000      0.8818000       3.915000 1.451000       5.724000       1.003000      -1.809000       1.764000
  1 1 1       5   27    9 o    2.918000      0.8496000       3.350000 1.355000       2.486000       1.025000      0.8636000       1.699000
  1 1 1       5   27   10 o    2.058000      0.6776000       2.107000 0.9680000       2.009000      0.9485000      0.9804000E-01   1.355000
  1 1 1       5   27   11 f    2.519000      0.7214000       2.369000 0.9846000       2.669000       1.055000     -0.3004000       1.443000
  1 1 1       5   27   12 o    4.861000      0.5751000       5.488000 0.6891000       4.235000      0.9210000       1.252000       1.150000
  1 1 1       5   27   13 o    5.215000      0.6032000       6.128000 0.7587000       4.301000      0.9379000       1.827000       1.206000
  1 1 1       5   27   14 o    2.723000      0.7007000       2.799000 0.9770000       2.647000       1.005000      0.1513000       1.401000
  1 1 1       5   27   15 f    2.336000      0.6699000       2.938000 1.066000       1.734000      0.8119000       1.204000       1.340000
  1 1 1       5   27   16 o    2.062000      0.6270000       2.471000 0.9882000       1.654000      0.7719000      0.8178000       1.254000
  1 1 1       5   27   17 o    3.348000      0.7461000       3.407000 1.067000       3.288000       1.043000      0.1189000       1.492000
  1 1 1       5   27   18 o    3.849000      0.5978000       3.686000 0.9005000       4.012000      0.7864000     -0.3263000       1.196000
  1 1 1       5   27   19 o    1.920000      0.6106000       1.996000 0.8907000       1.844000      0.8356000      0.1518000       1.221000
  1 1 1       5   27   20 o    2.610000      0.6726000       3.185000 1.020000       2.035000      0.8772000       1.150000       1.345000
  1 1 1       5   27   21 o    3.070000      0.7469000       3.288000 1.096000       2.853000       1.015000      0.4356000       1.494000
  1 1 1       5   27   22 o    3.243000      0.7230000       3.392000 1.063000       3.095000      0.9803000      0.2970000       1.446000
  1 1 1       5   27   23 o    3.779000      0.7171000       3.582000 1.096000       3.976000      0.9247000     -0.3940000       1.434000
  1 1 1       5   27   24 o    4.707000      0.6404000       3.966000 1.038000       5.447000      0.7498000      -1.481000       1.281000
  1 1 1       5   27   25 o    2.576000      0.7123000       2.941000 1.080000       2.211000      0.9292000      0.7292000       1.425000
  1 1 1       5   28    0 o    6.757000      0.3826000       7.104000 0.4902000       6.411000      0.5874000      0.6936000      0.7651000
  1 1 1       5   28    1 o    7.069000      0.4009000       7.622000 0.5555000       6.517000      0.5781000       1.105000      0.8018000
  1 1 1       5   28    2 o    3.011000      0.7462000       3.389000 1.100000       2.633000       1.009000      0.7556000       1.492000
  1 1 1       5   28    3 o    2.602000      0.6964000       2.573000 0.9996000       2.632000      0.9698000     -0.5895000E-01   1.393000
  1 1 1       5   28    4 o    6.828000      0.4415000       6.721000 0.5908000       6.935000      0.6562000     -0.2144000      0.8830000
  1 1 1       5   28    5 o    2.590000      0.7268000       2.601000 1.055000       2.579000       1.000000      0.2176000E-01   1.454000
  1 1 1       5   28    6 o    1.930000      0.6359000       1.705000 0.8344000       2.155000      0.9599000     -0.4506000       1.272000
  1 1 1       5   28    7 o    2.793000      0.7694000       3.575000 1.222000       2.010000      0.9351000       1.565000       1.539000
  1 1 1       5   28    8 o    3.052000      0.7485000       2.734000 1.055000       3.370000       1.062000     -0.6358000       1.497000
  1 1 1       5   28    9 o    3.811000      0.8394000       4.663000 1.135000       2.959000       1.237000       1.704000       1.679000
  1 1 1       5   28   10 o    4.051000      0.9238000       3.835000 1.259000       4.267000       1.353000     -0.4319000       1.848000
  1 1 1       5   28   11 o    2.769000      0.7552000       2.450000 1.021000       3.087000       1.113000     -0.6370000       1.510000
  1 1 1       5   28   12 o    3.658000      0.7775000       3.919000 1.048000       3.398000       1.148000      0.5217000       1.555000
  1 1 1       5   28   13 o    3.028000      0.7723000       2.920000 1.019000       3.136000       1.161000     -0.2157000       1.545000
  1 1 1       5   28   14 o    4.121000      0.6500000       4.272000 0.8666000       3.970000      0.9690000      0.3027000       1.300000
  1 1 1       5   28   15 o    3.077000      0.6645000       4.035000 0.9589000       2.118000      0.9201000       1.917000       1.329000
  1 1 1       5   28   16 o    2.716000      0.6977000       2.963000 1.039000       2.468000      0.9315000      0.4953000       1.395000
  1 1 1       5   28   17 o    3.177000      0.8137000       3.260000 1.328000       3.093000      0.9399000      0.1674000       1.627000
  1 1 1       5   28   18 o    3.734000      0.7248000       3.947000 1.032000       3.521000       1.018000      0.4262000       1.450000
  1 1 1       5   28   19 o    2.140000      0.6459000       1.856000 0.8705000       2.424000      0.9543000     -0.5679000       1.292000
  1 1 1       5   28   20 o    2.316000      0.6834000       2.317000 0.9745000       2.315000      0.9585000      0.2432000E-02   1.367000
  1 1 1       5   28   21 o    2.849000      0.7316000       3.183000 1.076000       2.514000      0.9911000      0.6694000       1.463000
  1 1 1       5   28   22 o    3.022000      0.7646000       2.616000 1.064000       3.429000       1.098000     -0.8130000       1.529000
  1 1 1       5   28   23 o    4.784000      0.6483000       4.847000 0.9802000       4.720000      0.8488000      0.1272000       1.297000
  1 1 1       5   28   24 o    2.504000      0.7258000       2.653000 1.070000       2.355000      0.9806000      0.2979000       1.452000
  1 1 1       5   29    0 o    3.847000      0.9740000       2.811000 1.290000       4.882000       1.460000      -2.071000       1.948000
  1 1 1       5   29    1 o    3.681000      0.9495000       4.915000 1.515000       2.446000       1.145000       2.468000       1.899000
  1 1 1       5   29    2 o    3.590000       1.020000       3.582000 1.489000       3.598000       1.394000     -0.1594000E-01   2.039000
  1 1 1       5   29    3 o    3.832000      0.9894000       5.146000 1.599000       2.518000       1.166000       2.628000       1.979000
  1 1 1       5   29    4 o    3.537000      0.9614000       4.597000 1.549000       2.476000       1.139000       2.121000       1.923000
  1 1 1       5   29    5 o    2.552000      0.7419000       2.892000 1.039000       2.211000       1.059000      0.6816000       1.484000
  1 1 1       5   29    6 o    3.834000      0.8124000       4.010000 1.161000       3.657000       1.137000      0.3527000       1.625000
  1 1 1       5   29    7 o    3.260000      0.7771000       2.917000 1.100000       3.603000       1.098000     -0.6861000       1.554000
  1 1 1       5   29    8 o    2.723000      0.7246000       3.192000 1.066000       2.253000      0.9821000      0.9389000       1.449000
  1 1 1       5   29    9 o    2.223000      0.6847000       1.802000 0.8485000       2.645000       1.075000     -0.8428000       1.369000
  1 1 1       5   29   10 f    3.147000      0.7932000       2.810000 1.068000       3.484000       1.173000     -0.6746000       1.586000
  1 1 1       5   29   11 o    3.864000      0.6990000       3.175000 1.043000       4.553000      0.9311000      -1.379000       1.398000
  1 1 1       5   29   12 o    3.345000      0.7149000       2.487000 1.012000       4.203000       1.011000      -1.715000       1.430000
  1 1 1       5   29   13 o    4.054000      0.7106000       4.964000 0.9156000       3.143000       1.087000       1.821000       1.421000
  1 1 1       5   29   14 o    2.668000      0.7170000       2.744000 1.019000       2.592000       1.009000      0.1522000       1.434000
  1 1 1       5   29   15 o    2.970000      0.6864000       2.168000 0.9458000       3.771000      0.9950000      -1.604000       1.373000
  1 1 1       5   29   16 o    2.802000      0.7173000       2.473000 1.060000       3.131000      0.9671000     -0.6575000       1.435000
  1 1 1       5   29   17 o    2.531000      0.7003000       2.648000 1.040000       2.415000      0.9377000      0.2327000       1.401000
  1 1 1       5   29   18 o    2.229000      0.6791000       2.165000 0.9694000       2.292000      0.9513000     -0.1272000       1.358000
  1 1 1       5   29   19 o    2.724000      0.7408000       2.604000 1.048000       2.845000       1.048000     -0.2418000       1.482000
  1 1 1       5   29   20 f    2.406000      0.7033000       2.575000 1.040000       2.238000      0.9473000      0.3367000       1.407000
  1 1 1       5   29   21 o    3.365000      0.7295000       4.198000 1.045000       2.533000       1.018000       1.665000       1.459000
  1 1 1       5   29   22 o    2.429000      0.7184000       2.264000 0.9998000       2.593000       1.032000     -0.3286000       1.437000
  1 1 1       5   30    0 o    2.310000      0.6460000       2.700000 0.9621000       1.920000      0.8624000      0.7804000       1.292000
  1 1 1       5   30    1 o    2.183000      0.6451000       2.581000 0.9924000       1.785000      0.8244000      0.7961000       1.290000
  1 1 1       5   30    2 f    6.247000      0.4753000       6.102000 0.6717000       6.392000      0.6725000     -0.2902000      0.9505000
  1 1 1       5   30    3 o    2.573000      0.6665000       1.939000 0.8720000       3.206000       1.008000      -1.267000       1.333000
  1 1 1       5   30    4 o    2.850000      0.6813000       3.685000 1.026000       2.016000      0.8969000       1.669000       1.363000
  1 1 1       5   30    5 o    3.183000      0.6990000       4.009000 1.005000       2.357000      0.9723000       1.652000       1.398000
  1 1 1       5   30    6 o    3.389000      0.7515000       3.623000 1.046000       3.156000       1.079000      0.4667000       1.503000
  1 1 1       5   30    7 o    2.197000      0.6712000       2.582000 1.023000       1.812000      0.8693000      0.7701000       1.342000
  1 1 1       5   30    8 o    3.434000      0.7531000       3.866000 0.9906000       3.002000       1.134000      0.8645000       1.506000
  1 1 1       5   30    9 o    2.581000      0.7096000       3.058000 1.035000       2.104000      0.9707000      0.9547000       1.419000
  1 1 1       5   30   10 f    3.294000      0.7801000       3.339000 1.057000       3.250000       1.148000      0.8945000E-01   1.560000
  1 1 1       5   30   11 o    2.674000      0.6895000       3.533000 1.071000       1.816000      0.8683000       1.717000       1.379000
  1 1 1       5   30   12 o    2.507000      0.7361000       2.556000 1.039000       2.458000       1.043000      0.9778000E-01   1.472000
  1 1 1       5   30   13 o    2.514000      0.7081000       3.353000 1.160000       1.675000      0.8120000       1.678000       1.416000
  1 1 1       5   30   14 o    3.508000      0.6170000       5.171000 0.8825000       1.846000      0.8625000       3.324000       1.234000
  1 1 1       5   30   15 o    4.829000      0.6500000       5.744000 0.8084000       3.913000       1.018000       1.831000       1.300000
  1 1 1       5   30   16 o    3.585000       1.099000       3.585000 1.099000                  ?              ?              ?              ?
  1 1 1       5   30   17 o    4.162000      0.8217000       3.880000 1.240000       4.445000       1.079000     -0.5644000       1.643000
  1 1 1       5   30   18 o    4.230000      0.8544000       3.916000 1.402000       4.543000      0.9763000     -0.6278000       1.709000
  1 1 1       5   30   19 o    2.977000      0.7660000       3.368000 1.113000       2.586000       1.053000      0.7816000       1.532000
  1 1 1       5   30   20 o    3.962000      0.6925000       2.869000 1.078000       5.055000      0.8699000      -2.186000       1.385000
  1 1 1       5   30   21 o    3.133000      0.9475000       2.626000 1.158000       3.640000       1.500000      -1.014000       1.895000
  1 1 1       5   31    0 o    3.224000      0.7323000       3.467000 0.9943000       2.981000       1.075000      0.4866000       1.465000
  1 1 1       5   31    1 o    3.342000      0.7525000       2.999000 1.050000       3.686000       1.078000     -0.6861000       1.505000
  1 1 1       5   31    2 o    2.834000      0.6973000       2.197000 0.9518000       3.471000       1.019000      -1.274000       1.395000
  1 1 1       5   31    3 o    1.937000      0.6150000       2.246000 0.9486000       1.628000      0.7829000      0.6186000       1.230000
  1 1 1       5   31    4 o    1.910000      0.6165000       1.858000 0.8574000       1.961000      0.8861000     -0.1033000       1.233000
  1 1 1       5   31    5 o    2.212000      0.6762000       2.329000 0.9778000       2.096000      0.9343000      0.2334000       1.352000
  1 1 1       5   31    6 o    2.515000      0.6899000       3.191000 1.057000       1.840000      0.8872000       1.351000       1.380000
  1 1 1       5   31    7 o    2.352000      0.7247000       2.410000 1.013000       2.295000       1.036000      0.1155000       1.449000
  1 1 1       5   31    8 o    3.420000      0.7293000       2.208000 0.9707000       4.632000       1.089000      -2.424000       1.459000
  1 1 1       5   31    9 o    3.018000      0.7711000       3.330000 1.080000       2.706000       1.101000      0.6239000       1.542000
  1 1 1       5   31   10 o    2.383000      0.7086000       2.629000 1.038000       2.138000      0.9651000      0.4911000       1.417000
  1 1 1       5   31   11 o    2.133000      0.6766000       1.804000 0.8648000       2.462000       1.041000     -0.6574000       1.353000
  1 1 1       5   31   12 o    2.175000      0.6941000       2.416000 1.054000       1.934000      0.9040000      0.4822000       1.388000
  1 1 1       5   31   13 o    2.996000      0.8058000       2.973000 1.149000       3.020000       1.130000     -0.4735000E-01   1.612000
  1 1 1       5   31   14 o    2.440000      0.7390000       2.618000 1.079000       2.261000       1.010000      0.3565000       1.478000
  1 1 1       5   31   15 o    3.292000      0.7983000       3.567000 1.152000       3.017000       1.106000      0.5499000       1.597000
  1 1 1       5   31   16 o    2.511000       1.074000       2.511000 1.074000                  ?              ?              ?              ?
  1 1 1       5   31   17 o    3.809000      0.7636000       2.971000 1.135000       4.647000       1.022000      -1.676000       1.527000
  1 1 1       5   31   18 o    2.783000       1.105000                  ?       ?   2.783000       1.105000                  ?              ?
  1 1 1       5   31   19 o    3.440000      0.8089000       4.048000 1.157000       2.832000       1.131000       1.215000       1.618000
  1 1 1       5   32    0 o    4.472000      0.7247000       3.206000 1.122000       5.738000      0.9174000      -2.532000       1.449000
  1 1 1       5   32    1 o    2.597000      0.7582000       2.523000 1.045000       2.672000       1.099000     -0.1486000       1.516000
  1 1 1       5   32    2 o    2.622000      0.7518000       3.044000 1.127000       2.200000      0.9952000      0.8438000       1.504000
  1 1 1       5   32    3 o    3.334000      0.8172000       3.500000 1.161000       3.169000       1.150000      0.3310000       1.634000
  1 1 1       5   32    4 o    2.198000      0.6946000       2.508000 1.059000       1.888000      0.8989000      0.6208000       1.389000
  1 1 1       5   32    5 o    3.666000      0.7909000       3.071000 1.133000       4.261000       1.104000      -1.190000       1.582000
  1 1 1       5   32    6 o    3.085000      0.7436000       1.979000 0.9262000       4.191000       1.164000      -2.212000       1.487000
  1 1 1       5   32    7 o    3.139000      0.7427000       2.118000 0.9615000       4.160000       1.132000      -2.042000       1.485000
  1 1 1       5   32    8 o    2.762000      0.7733000       2.737000 1.073000       2.788000       1.113000     -0.5062000E-01   1.547000
  1 1 1       5   32    9 o    2.209000      0.7048000       2.175000 0.9880000       2.243000       1.005000     -0.6756000E-01   1.410000
  1 1 1       5   32   10 o    2.153000      0.6887000       2.475000 1.059000       1.830000      0.8807000      0.6449000       1.377000
  1 1 1       5   32   11 o    2.652000      0.7464000       3.350000 1.180000       1.953000      0.9141000       1.397000       1.493000
  1 1 1       5   32   12 o    2.676000      0.7509000       3.340000 1.173000       2.012000      0.9375000       1.328000       1.502000
  1 1 1       5   32   13 o    3.363000      0.8138000       2.884000 1.146000       3.841000       1.156000     -0.9572000       1.628000
  1 1 1       5   32   14 o    2.384000      0.7382000       2.395000 1.051000       2.374000       1.037000      0.2099000E-01   1.476000
  1 1 1       5   32   15 o    3.050000      0.7909000       3.239000 1.116000       2.861000       1.121000      0.3783000       1.582000
  1 1 1       5   32   16 o    3.244000      0.8215000       3.462000 1.176000       3.025000       1.147000      0.4370000       1.643000
  1 1 1       5   32   17 o    3.117000       1.395000                  ?       ?   3.117000       1.395000                  ?              ?
  1 1 1       5   33    0 o    2.427000      0.7627000       2.402000 1.063000       2.451000       1.094000     -0.4910000E-01   1.525000
  1 1 1       5   33    1 o    3.125000      0.7737000       3.698000 1.084000       2.551000       1.104000       1.147000       1.547000
  1 1 1       5   33    2 f    3.848000      0.8371000       3.806000 1.142000       3.890000       1.224000     -0.8423000E-01   1.674000
  1 1 1       5   33    3 o    6.001000      0.6167000       5.969000 0.8206000       6.033000      0.9206000     -0.6349000E-01   1.233000
  1 1 1       5   33    4 o    4.766000      0.7635000       5.066000 0.9926000       4.465000       1.160000      0.6010000       1.527000
  1 1 1       5   33    5 o    2.366000      0.7372000       2.295000 1.007000       2.436000       1.077000     -0.1404000       1.474000
  1 1 1       5   33    6 f    2.286000      0.7142000       2.164000 0.9669000       2.409000       1.052000     -0.2445000       1.428000
  1 1 1       5   33    7 o    2.844000      0.7693000       3.428000 1.147000       2.261000       1.025000       1.168000       1.539000
  1 1 1       5   33    8 o    4.107000      0.8210000       3.848000 1.150000       4.366000       1.172000     -0.5184000       1.642000
  1 1 1       5   33    9 o    3.522000      0.7949000       2.805000 1.104000       4.239000       1.144000      -1.433000       1.590000
  1 1 1       5   33   10 o    2.563000      0.7555000       2.362000 1.026000       2.764000       1.109000     -0.4024000       1.511000
  1 1 1       5   33   11 o    2.752000      0.7577000       3.152000 1.121000       2.351000       1.020000      0.8009000       1.515000
  1 1 1       5   33   12 o    3.748000      0.8426000       4.347000 1.161000       3.148000       1.222000       1.199000       1.685000
  1 1 1       5   33   13 o    3.044000      0.7827000       2.598000 1.093000       3.490000       1.120000     -0.8914000       1.565000
  1 1 1       5   33   14 o    2.999000      0.7726000       3.663000 1.166000       2.335000       1.014000       1.328000       1.545000
  1 1 1       5   34    0 o    3.201000      0.8164000       3.061000 1.092000       3.342000       1.214000     -0.2813000       1.633000
  1 1 1       5   34    1 o    3.257000      0.8103000       3.657000 1.119000       2.857000       1.172000      0.7998000       1.621000
  1 1 1       5   34    2 o    2.769000      0.7989000       2.614000 1.083000       2.924000       1.175000     -0.3099000       1.598000
  1 1 1       5   34    3 o    3.684000      0.8066000       4.636000 0.9992000       2.733000       1.266000       1.903000       1.613000
  1 1 1       5   34    4 o    2.499000      0.7398000       2.169000 0.9654000       2.829000       1.121000     -0.6601000       1.480000
  1 1 1       5   34    5 o    3.758000      0.7945000       3.380000 1.084000       4.136000       1.162000     -0.7553000       1.589000
  1 1 1       5   34    6 o    3.450000      0.8270000       3.505000 1.143000       3.395000       1.195000      0.1096000       1.654000
  1 1 1       5   34    7 o    3.760000      0.7868000       4.501000 1.076000       3.020000       1.148000       1.482000       1.574000
  1 1 1       5   34    8 o    2.827000      0.7913000       3.010000 1.145000       2.644000       1.092000      0.3655000       1.583000
  1 1 1       5   34    9 o    2.515000      0.7446000       3.044000 1.160000       1.987000      0.9338000       1.058000       1.489000
  1 1 1       5   34   10 o    2.952000      0.7378000       3.717000 1.101000       2.187000      0.9821000       1.531000       1.476000
  1 1 1       5   34   11 f    3.245000      0.9035000       2.514000 1.047000       3.975000       1.473000      -1.461000       1.807000
  1 1 1       5   35    0 f    3.218000      0.7964000       3.724000 1.112000       2.711000       1.141000       1.013000       1.593000
  1 1 1       5   35    1 o    2.775000      0.7920000       2.634000 1.052000       2.916000       1.184000     -0.2822000       1.584000
  1 1 1       5   35    2 f    3.817000      0.7261000       4.911000 0.9260000       2.724000       1.119000       2.187000       1.452000
  1 1 1       5   35    3 o    2.763000      0.7871000       2.381000 1.013000       3.144000       1.205000     -0.7627000       1.574000
  1 1 1       5   35    4 f    3.000000      0.8072000       3.102000 1.126000       2.898000       1.157000      0.2045000       1.614000
  1 1 1       5   35    5 o    2.277000      0.7132000       1.956000 0.9085000       2.597000       1.100000     -0.6419000       1.426000
  1 1 1       5   35    6 o    2.172000      0.6758000       2.211000 0.9664000       2.134000      0.9449000      0.7704000E-01   1.352000
  1 1 1       6  -30    0 o    2.823000      0.7953000       3.133000 1.151000       2.513000       1.097000      0.6200000       1.591000
  1 1 1       6  -30    1 o    2.624000      0.7811000       2.530000 1.067000       2.719000       1.141000     -0.1892000       1.562000
  1 1 1       6  -30    2 o    2.659000      0.6968000       3.621000 1.115000       1.698000      0.8359000       1.923000       1.394000
  1 1 1       6  -30    3 o    2.843000      0.8461000       2.872000 1.172000       2.813000       1.220000      0.5942000E-01   1.692000
  1 1 1       6  -30    4 o    2.516000      0.7145000       1.965000 0.9219000       3.068000       1.092000      -1.103000       1.429000
  1 1 1       6  -30    5 o    2.328000      0.7061000       2.529000 1.045000       2.127000      0.9500000      0.4015000       1.412000
  1 1 1       6  -30    6 o    3.072000      0.8692000       3.609000 1.370000       2.534000       1.070000       1.075000       1.738000
  1 1 1       6  -29    0 o    3.114000      0.8247000       3.388000 1.173000       2.840000       1.160000      0.5479000       1.649000
  1 1 1       6  -29    1 o    4.216000      0.8444000       4.238000 1.162000       4.193000       1.225000      0.4491000E-01   1.689000
  1 1 1       6  -29    2 o    3.010000      0.8081000       2.692000 1.112000       3.329000       1.173000     -0.6374000       1.616000
  1 1 1       6  -29    3 o    2.726000      0.7718000       2.391000 1.021000       3.061000       1.157000     -0.6697000       1.544000
  1 1 1       6  -29    4 o    1.977000      0.6592000       1.930000 0.9255000       2.025000      0.9390000     -0.9577000E-01   1.318000
  1 1 1       6  -29    5 o    2.975000      0.7777000       3.177000 1.124000       2.774000       1.075000      0.4023000       1.555000
  1 1 1       6  -29    6 o    3.143000      0.7842000       3.523000 1.142000       2.764000       1.075000      0.7592000       1.568000
  1 1 1       6  -29    7 o    3.900000      0.7757000       3.507000 1.126000       4.293000       1.067000     -0.7861000       1.551000
  1 1 1       6  -29    8 o    2.522000      0.7456000       2.445000 1.064000       2.599000       1.044000     -0.1547000       1.491000
  1 1 1       6  -29    9 o    2.400000      0.6946000       2.912000 1.099000       1.889000      0.8492000       1.023000       1.389000
  1 1 1       6  -29   10 o    2.823000      0.7427000       2.743000 1.060000       2.902000       1.041000     -0.1592000       1.485000
  1 1 1       6  -29   11 o    2.994000       1.234000       2.994000 1.234000                  ?              ?              ?              ?
  1 1 1       6  -28    0 o    3.010000      0.8102000       3.066000 1.137000       2.954000       1.155000      0.1124000       1.620000
  1 1 1       6  -28    1 o    2.849000      0.7680000       3.604000 1.178000       2.093000      0.9861000       1.511000       1.536000
  1 1 1       6  -28    2 o    3.400000       1.177000       3.400000 1.177000                  ?              ?              ?              ?
  1 1 1       6  -28    3 o    3.713000      0.7789000       2.705000 1.110000       4.721000       1.093000      -2.016000       1.558000
  1 1 1       6  -28    4 o    1.896000      0.8954000                  ?       ?   1.896000      0.8954000                  ?              ?
  1 1 1       6  -28    5 o    2.630000      0.7097000       3.494000 1.138000       1.767000      0.8478000       1.728000       1.419000
  1 1 1       6  -28    6 o    3.532000      0.8099000       3.848000 1.177000       3.217000       1.113000      0.6310000       1.620000
  1 1 1       6  -28    7 o    2.881000      0.7311000       3.739000 1.131000       2.023000      0.9274000       1.717000       1.462000
  1 1 1       6  -28    8 o    2.493000      0.7328000       2.683000 1.085000       2.303000      0.9849000      0.3799000       1.466000
  1 1 1       6  -28    9 o    2.741000      0.7506000       2.785000 1.115000       2.698000       1.005000      0.8636000E-01   1.501000
  1 1 1       6  -28   10 o    3.147000      0.6912000       2.505000 1.029000       3.789000      0.9232000      -1.285000       1.382000
  1 1 1       6  -28   11 o    2.761000      0.7076000       2.139000 0.9718000       3.382000       1.029000      -1.244000       1.415000
  1 1 1       6  -28   12 o    3.427000      0.7477000       3.725000 1.082000       3.128000       1.032000      0.5965000       1.495000
  1 1 1       6  -28   13 o    3.459000      0.7754000       3.772000 1.154000       3.145000       1.036000      0.6276000       1.551000
  1 1 1       6  -28   14 o    2.636000      0.7280000       2.529000 1.049000       2.743000       1.009000     -0.2140000       1.456000
  1 1 1       6  -27    0 o    2.817000      0.7617000       2.331000 1.007000       3.302000       1.143000     -0.9713000       1.523000
  1 1 1       6  -27    1 o    3.001000      0.8056000       3.426000 1.172000       2.577000       1.106000      0.8492000       1.611000
  1 1 1       6  -27    2 o    2.867000      0.7693000       3.502000 1.185000       2.231000      0.9814000       1.271000       1.539000
  1 1 1       6  -27    3 o    3.556000      0.8204000       3.916000 1.166000       3.196000       1.155000      0.7201000       1.641000
  1 1 1       6  -27    4 o    3.109000       1.195000                  ?       ?   3.109000       1.195000                  ?              ?
  1 1 1       6  -27    5 o    2.127000      0.6763000       2.162000 0.9727000       2.093000      0.9400000      0.6856000E-01   1.353000
  1 1 1       6  -27    6 o    2.726000      0.7538000       3.186000 1.133000       2.266000      0.9940000      0.9194000       1.508000
  1 1 1       6  -27    7 o    1.990000      0.6580000       1.965000 0.9274000       2.015000      0.9339000     -0.4924000E-01   1.316000
  1 1 1       6  -27    8 o    2.359000      0.7232000       2.428000 1.048000       2.290000      0.9967000      0.1386000       1.446000
  1 1 1       6  -27    9 o    2.511000      0.7170000       2.490000 1.033000       2.531000      0.9948000     -0.4125000E-01   1.434000
  1 1 1       6  -27   10 o    2.170000      0.6697000       2.125000 0.9503000       2.215000      0.9438000     -0.8990000E-01   1.339000
  1 1 1       6  -27   11 o    1.839000      0.6089000       1.905000 0.8917000       1.773000      0.8294000      0.1325000       1.218000
  1 1 1       6  -27   12 o    2.373000      0.6919000       2.235000 0.9785000       2.511000      0.9784000     -0.2760000       1.384000
  1 1 1       6  -27   13 o    2.355000      0.7032000       2.672000 1.073000       2.038000      0.9087000      0.6335000       1.406000
  1 1 1       6  -27   14 o    2.191000      0.6610000       2.011000 0.9195000       2.371000      0.9498000     -0.3603000       1.322000
  1 1 1       6  -27   15 o    2.230000      0.6692000       1.932000 0.9034000       2.528000      0.9874000     -0.5963000       1.338000
  1 1 1       6  -27   16 o    2.107000      0.6490000       1.723000 0.8374000       2.491000      0.9917000     -0.7684000       1.298000
  1 1 1       6  -26    0 o    2.352000      0.7195000       2.653000 1.078000       2.051000      0.9537000      0.6018000       1.439000
  1 1 1       6  -26    1 o    5.057000      0.6944000       5.844000 0.8480000       4.269000       1.100000       1.575000       1.389000
  1 1 1       6  -26    2 o    5.189000      0.6669000       5.552000 0.9036000       4.826000      0.9811000      0.7259000       1.334000
  1 1 1       6  -26    3 o    1.874000      0.6267000       1.836000 0.8810000       1.912000      0.8915000     -0.7579000E-01   1.253000
  1 1 1       6  -26    4 o    2.670000      0.7017000       1.946000 0.9058000       3.395000       1.072000      -1.449000       1.403000
  1 1 1       6  -26    5 o    2.213000      0.7321000       2.347000 1.080000       2.080000      0.9886000      0.2674000       1.464000
  1 1 1       6  -26    6 o    3.572000      0.9568000       3.712000 1.411000       3.433000       1.293000      0.2793000       1.914000
  1 1 1       6  -26    7 f    4.035000      0.9176000       3.123000 1.309000       4.948000       1.286000      -1.825000       1.835000
  1 1 1       6  -26    8 o    3.433000      0.9239000       3.853000 1.362000       3.014000       1.249000      0.8383000       1.848000
  1 1 1       6  -26    9 o    2.956000      0.8969000       2.893000 1.275000       3.018000       1.262000     -0.1249000       1.794000
  1 1 1       6  -26   10 o    4.027000      0.9840000       4.956000 1.478000       3.099000       1.300000       1.857000       1.968000
  1 1 1       6  -26   11 o    3.584000       1.045000       3.491000 1.484000       3.678000       1.471000     -0.1870000       2.090000
  1 1 1       6  -26   12 o    2.740000      0.8444000       2.227000 0.9335000       3.252000       1.407000      -1.025000       1.689000
  1 1 1       6  -26   13 o    3.070000      0.7231000       2.908000 1.064000       3.232000      0.9791000     -0.3242000       1.446000
  1 1 1       6  -26   14 o    2.025000      0.6321000       2.191000 0.9476000       1.858000      0.8367000      0.3330000       1.264000
  1 1 1       6  -26   15 o    2.114000      0.6310000       1.715000 0.8198000       2.514000      0.9596000     -0.7993000       1.262000
  1 1 1       6  -26   16 o    2.230000      0.6822000       2.676000 1.084000       1.784000      0.8286000      0.8922000       1.364000
  1 1 1       6  -26   17 o    2.330000      0.6993000       2.378000 1.037000       2.282000      0.9379000      0.9603000E-01   1.399000
  1 1 1       6  -26   18 o    1.998000      0.6502000       2.303000 1.022000       1.694000      0.8047000      0.6084000       1.300000
  1 1 1       6  -26   19 o    2.719000       1.303000       2.719000 1.303000                  ?              ?              ?              ?
  1 1 1       6  -25    0 o    3.404000      0.7595000       3.364000 1.062000       3.444000       1.086000     -0.8014000E-01   1.519000
  1 1 1       6  -25    1 o    3.372000      0.7104000       4.622000 1.047000       2.122000      0.9608000       2.500000       1.421000
  1 1 1       6  -25    2 o    3.101000      0.7765000       3.959000 1.191000       2.243000      0.9971000       1.716000       1.553000
  1 1 1       6  -25    3 o    4.541000      0.6618000       4.038000 1.076000       5.044000      0.7713000      -1.006000       1.324000
  1 1 1       6  -25    4 o    2.387000      0.7184000       2.289000 1.000000       2.484000       1.031000     -0.1945000       1.437000
  1 1 1       6  -25    5 o    2.846000      0.7591000       3.574000 1.198000       2.119000      0.9323000       1.455000       1.518000
  1 1 1       6  -25    6 o    2.897000      0.7558000       3.341000 1.148000       2.452000      0.9839000      0.8891000       1.512000
  1 1 1       6  -25    7 o    2.587000      0.7357000       2.801000 1.098000       2.372000      0.9797000      0.4285000       1.471000
  1 1 1       6  -25    8 o    2.497000      0.7190000       2.417000 1.041000       2.576000      0.9917000     -0.1585000       1.438000
  1 1 1       6  -25    9 o    1.585000      0.5366000       1.723000 0.8131000       1.447000      0.7006000      0.2763000       1.073000
  1 1 1       6  -25   10 o    4.448000      0.6768000       5.439000 0.8364000       3.458000       1.064000       1.981000       1.354000
  1 1 1       6  -25   11 o    4.972000      0.5634000       4.872000 0.8238000       5.073000      0.7687000     -0.2014000       1.127000
  1 1 1       6  -25   12 o    3.697000      0.7292000       3.594000 1.049000       3.800000       1.013000     -0.2059000       1.458000
  1 1 1       6  -25   13 o    3.496000      0.7194000       3.299000 1.034000       3.692000       1.001000     -0.3934000       1.439000
  1 1 1       6  -25   14 o    4.978000      0.5440000       4.618000 0.8220000       5.338000      0.7127000     -0.7199000       1.088000
  1 1 1       6  -25   15 o    5.140000      0.5407000       5.393000 0.7845000       4.887000      0.7443000      0.5064000       1.081000
  1 1 1       6  -25   16 o    4.409000      0.6630000       3.871000 1.116000       4.947000      0.7166000      -1.076000       1.326000
  1 1 1       6  -25   17 o    4.031000      0.7277000       4.976000 1.086000       3.087000      0.9692000       1.889000       1.455000
  1 1 1       6  -25   18 o    3.155000      0.7688000       3.381000 1.177000       2.929000      0.9895000      0.4524000       1.538000
  1 1 1       6  -25   19 o    2.469000      0.7138000       2.340000 1.040000       2.598000      0.9783000     -0.2577000       1.428000
  1 1 1       6  -25   20 o    3.928000      0.7467000       4.965000 1.093000       2.891000       1.017000       2.073000       1.493000
  1 1 1       6  -24    0 o    1.755000      0.5689000       1.674000 0.7805000       1.837000      0.8278000     -0.1623000       1.138000
  1 1 1       6  -24    1 o    2.782000      0.7057000       1.932000 0.8978000       3.632000       1.089000      -1.700000       1.411000
  1 1 1       6  -24    2 o    2.787000      0.8863000       2.675000 1.249000       2.898000       1.258000     -0.2228000       1.773000
  1 1 1       6  -24    3 o    4.011000       1.530000       4.011000 1.530000                  ?              ?              ?              ?
  1 1 1       6  -24    4 o    3.126000      0.9300000       3.595000 1.424000       2.657000       1.197000      0.9377000       1.860000
  1 1 1       6  -24    5 o    3.983000       1.524000                  ?       ?   3.983000       1.524000                  ?              ?
  1 1 1       6  -24    6 o    2.404000      0.7623000       2.706000 1.157000       2.102000      0.9924000      0.6046000       1.525000
  1 1 1       6  -24    7 o    2.360000      0.7011000       2.759000 1.073000       1.961000      0.9032000      0.7982000       1.402000
  1 1 1       6  -24    8 o    2.188000      0.6756000       2.491000 1.030000       1.884000      0.8746000      0.6064000       1.351000
  1 1 1       6  -24    9 o    3.514000      0.6593000       3.355000 0.9823000       3.673000      0.8796000     -0.3177000       1.319000
  1 1 1       6  -24   10 o    3.610000      0.5889000       4.331000 0.7604000       2.890000      0.8994000       1.442000       1.178000
  1 1 1       6  -24   11 o    5.457000      0.4664000       6.236000 0.5568000       4.678000      0.7484000       1.557000      0.9328000
  1 1 1       6  -24   12 f    4.371000      0.5574000       3.518000 0.9088000       5.225000      0.6458000      -1.706000       1.115000
  1 1 1       6  -24   13 o    2.694000      0.6456000       3.012000 0.9197000       2.375000      0.9062000      0.6373000       1.291000
  1 1 1       6  -24   14 o    6.087000      0.3831000       6.002000 0.5485000       6.172000      0.5349000     -0.1705000      0.7661000
  1 1 1       6  -24   15 o    6.281000      0.4253000       6.437000 0.6328000       6.125000      0.5683000      0.3126000      0.8506000
  1 1 1       6  -24   16 o    6.204000      0.4350000       6.130000 0.6734000       6.279000      0.5508000     -0.1491000      0.8700000
  1 1 1       6  -24   17 f    3.038000      0.6894000       3.814000 1.061000       2.262000      0.8799000       1.553000       1.379000
  1 1 1       6  -24   18 o    2.397000      0.6852000       2.619000 1.049000       2.175000      0.8822000      0.4436000       1.370000
  1 1 1       6  -24   19 o    3.489000      0.6734000       2.774000 1.080000       4.205000      0.8044000      -1.431000       1.347000
  1 1 1       6  -24   20 o    2.902000      0.7068000       2.872000 1.051000       2.932000      0.9457000     -0.5973000E-01   1.414000
  1 1 1       6  -24   21 o    2.969000      0.7294000       2.707000 1.112000       3.232000      0.9440000     -0.5245000       1.459000
  1 1 1       6  -24   22 o    2.205000      0.6707000       2.627000 1.058000       1.782000      0.8245000      0.8446000       1.341000
  1 1 1       6  -23    0 o    3.086000      0.5467000       2.051000 0.7934000       4.121000      0.7523000      -2.070000       1.093000
  1 1 1       6  -23    1 o    3.301000      0.6868000       2.592000 1.020000       4.010000      0.9201000      -1.418000       1.374000
  1 1 1       6  -23    2 o    5.579000      0.5589000       6.009000 0.7115000       5.149000      0.8620000      0.8607000       1.118000
  1 1 1       6  -23    3 o    6.050000      0.5189000       6.269000 0.7128000       5.830000      0.7542000      0.4390000       1.038000
  1 1 1       6  -23    4 o    3.243000      0.7102000       2.598000 1.033000       3.889000      0.9747000      -1.292000       1.420000
  1 1 1       6  -23    5 o    3.070000      0.8118000       3.390000 1.063000       2.750000       1.228000      0.6399000       1.624000
  1 1 1       6  -23    6 o    4.436000      0.7400000       4.026000 1.122000       4.845000      0.9653000     -0.8191000       1.480000
  1 1 1       6  -23    7 o    3.413000      0.7697000       3.977000 1.065000       2.849000       1.112000       1.128000       1.539000
  1 1 1       6  -23    8 o    4.992000      0.6385000       6.405000 0.7004000       3.580000       1.068000       2.825000       1.277000
  1 1 1       6  -23    9 o    5.413000      0.5136000       5.692000 0.7095000       5.135000      0.7428000      0.5569000       1.027000
  1 1 1       6  -23   10 o    2.414000      0.6524000       2.082000 0.8744000       2.746000      0.9684000     -0.6637000       1.305000
  1 1 1       6  -23   11 o    2.053000      0.5661000       2.787000 0.9239000       1.320000      0.6544000       1.467000       1.132000
  1 1 1       6  -23   12 o    10.40000      0.3285000       10.67000 0.4591000       10.12000      0.4699000      0.5487000      0.6570000
  1 1 1       6  -23   13 o    4.136000      0.4793000       4.751000 0.6125000       3.520000      0.7375000       1.230000      0.9587000
  1 1 1       6  -23   14 o    2.036000      0.5751000       2.320000 0.8640000       1.753000      0.7592000      0.5670000       1.150000
  1 1 1       6  -23   15 o    4.863000      0.4639000       4.377000 0.7337000       5.350000      0.5677000     -0.9724000      0.9277000
  1 1 1       6  -23   16 o    1.986000      0.5874000       2.122000 0.8670000       1.849000      0.7927000      0.2730000       1.175000
  1 1 1       6  -23   17 o    3.905000      0.5824000       3.571000 0.9930000       4.239000      0.6087000     -0.6681000       1.165000
  1 1 1       6  -23   18 o    4.493000      0.5499000       4.424000 0.8918000       4.562000      0.6436000     -0.1387000       1.100000
  1 1 1       6  -23   19 o    3.570000      0.6815000       3.914000 1.029000       3.225000      0.8938000      0.6893000       1.363000
  1 1 1       6  -23   20 o    4.849000      0.5988000       4.963000 0.9615000       4.734000      0.7139000      0.2290000       1.198000
  1 1 1       6  -23   21 o    2.499000      0.6745000       2.843000 1.042000       2.154000      0.8568000      0.6895000       1.349000
  1 1 1       6  -23   22 o    4.569000      0.6054000       4.710000 0.9144000       4.428000      0.7938000      0.2822000       1.211000
  1 1 1       6  -23   23 o    2.355000      0.6674000       2.049000 0.9243000       2.662000      0.9629000     -0.6125000       1.335000
  1 1 1       6  -22    0 o    4.889000      0.5231000       4.957000 0.7491000       4.822000      0.7302000      0.1351000       1.046000
  1 1 1       6  -22    1 o    7.641000      0.5819000       7.641000 0.5819000                  ?              ?              ?              ?
  1 1 1       6  -22    2 o    10.62000      0.3971000       9.842000 0.5812000       11.39000      0.5413000      -1.551000      0.7943000
  1 1 1       6  -22    3 o    10.58000      0.3834000       10.57000 0.5214000       10.58000      0.5622000     -0.4413000E-02  0.7668000
  1 1 1       6  -22    4 o    9.237000      0.4070000       8.482000 0.5677000       9.993000      0.5834000      -1.511000      0.8141000
  1 1 1       6  -22    5 o    3.962000      0.7154000       3.064000 1.177000       4.861000      0.8141000      -1.797000       1.431000
  1 1 1       6  -22    6 o    3.420000      0.8221000       3.118000 1.187000       3.723000       1.137000     -0.6050000       1.644000
  1 1 1       6  -22    7 o    2.264000      0.7007000       2.423000 1.023000       2.104000      0.9574000      0.3188000       1.401000
  1 1 1       6  -22    8 o    3.530000      0.7325000       4.287000 0.9673000       2.774000       1.100000       1.513000       1.465000
  1 1 1       6  -22    9 o    2.387000      0.6778000       1.869000 0.8511000       2.905000       1.055000      -1.036000       1.356000
  1 1 1       6  -22   10 o    5.711000      0.4058000       5.562000 0.5524000       5.860000      0.5947000     -0.2985000      0.8117000
  1 1 1       6  -22   11 o    6.179000      0.3789000       6.032000 0.5077000       6.327000      0.5625000     -0.2949000      0.7577000
  1 1 1       6  -22   12 o    5.303000      0.4069000       5.202000 0.5645000       5.405000      0.5862000     -0.2028000      0.8138000
  1 1 1       6  -22   13 o    1.825000      0.5447000       2.022000 0.8129000       1.627000      0.7252000      0.3950000       1.089000
  1 1 1       6  -22   14 o    1.921000      0.5457000       2.023000 0.7983000       1.819000      0.7441000      0.2039000       1.091000
  1 1 1       6  -22   15 o    4.577000      0.4025000       4.515000 0.6190000       4.638000      0.5145000     -0.1231000      0.8049000
  1 1 1       6  -22   16 o    7.716000      0.3163000       7.547000 0.4682000       7.884000      0.4254000     -0.3369000      0.6326000
  1 1 1       6  -22   17 o    5.685000      0.7775000       6.790000 0.5205000       4.580000       1.465000       2.210000       1.555000
  1 1 1       6  -22   18 o    4.542000      0.4940000       4.090000 0.8536000       4.994000      0.4976000     -0.9033000      0.9880000
  1 1 1       6  -22   19 o    2.621000      0.6794000       3.000000 1.069000       2.242000      0.8390000      0.7579000       1.359000
  1 1 1       6  -22   20 o    4.868000      0.5159000       3.967000 0.8970000       5.768000      0.5098000      -1.802000       1.032000
  1 1 1       6  -22   21 o    3.086000      0.6530000       2.565000 0.9926000       3.608000      0.8488000      -1.043000       1.306000
  1 1 1       6  -22   22 o    3.177000      0.6940000       3.460000 1.056000       2.894000      0.9012000      0.5660000       1.388000
  1 1 1       6  -22   23 o    2.196000      0.6486000       2.140000 0.9335000       2.252000      0.9006000     -0.1114000       1.297000
  1 1 1       6  -22   24 o    3.250000      0.6991000       3.205000 1.054000       3.295000      0.9189000     -0.9004000E-01   1.398000
  1 1 1       6  -22   25 o    1.794000      0.5675000       1.659000 0.7835000       1.930000      0.8213000     -0.2711000       1.135000
  1 1 1       6  -21    0 o    5.502000      0.3976000       5.558000 0.5594000       5.447000      0.5651000      0.1103000      0.7951000
  1 1 1       6  -21    1 f    6.996000      0.3969000       7.393000 0.5357000       6.600000      0.5859000      0.7931000      0.7939000
  1 1 1       6  -21    2 o    3.566000      0.6537000       3.642000 0.9016000       3.490000      0.9468000      0.1525000       1.307000
  1 1 1       6  -21    3 o    4.112000      0.5860000       5.096000 0.7529000       3.128000      0.8982000       1.968000       1.172000
  1 1 1       6  -21    4 o    4.596000      0.5519000       4.580000 0.8713000       4.612000      0.6775000     -0.3296000E-01   1.104000
  1 1 1       6  -21    5 o    2.560000      0.7069000       2.436000 1.043000       2.684000      0.9541000     -0.2473000       1.414000
  1 1 1       6  -21    6 o    5.975000      0.9253000                  ?       ?   5.975000      0.9253000                  ?              ?
  1 1 1       6  -21    7 o    3.047000      0.7296000       2.171000 0.9801000       3.924000       1.081000      -1.754000       1.459000
  1 1 1       6  -21    8 o    2.508000      0.7251000       2.637000 1.033000       2.379000       1.018000      0.2588000       1.450000
  1 1 1       6  -21    9 o    4.384000      0.6053000       4.143000 0.8219000       4.625000      0.8889000     -0.4827000       1.211000
  1 1 1       6  -21   10 o    1.773000      0.5616000       1.465000 0.6938000       2.081000      0.8834000     -0.6160000       1.123000
  1 1 1       6  -21   11 o    3.004000      0.6001000       3.392000 0.7803000       2.616000      0.9119000      0.7753000       1.200000
  1 1 1       6  -21   12 o    4.519000      0.4448000       4.299000 0.6492000       4.739000      0.6082000     -0.4404000      0.8896000
  1 1 1       6  -21   13 o    7.418000      0.2783000       7.695000 0.4094000       7.142000      0.3771000      0.5531000      0.5566000
  1 1 1       6  -21   14 o    3.637000      0.4475000       3.745000 0.5977000       3.530000      0.6661000      0.2154000      0.8950000
  1 1 1       6  -21   15 o    7.693000      0.2899000       7.935000 0.4340000       7.451000      0.3844000      0.4843000      0.5798000
  1 1 1       6  -21   16 o    8.947000      0.2871000       9.099000 0.4530000       8.796000      0.3527000      0.3028000      0.5741000
  1 1 1       6  -21   17 o    3.393000      0.5429000       2.936000 0.9014000       3.851000      0.6054000     -0.9153000       1.086000
  1 1 1       6  -21   18 o    2.385000      0.5834000       2.365000 0.8941000       2.405000      0.7496000     -0.4038000E-01   1.167000
  1 1 1       6  -21   19 o    3.137000      0.5695000       2.626000 0.9315000       3.649000      0.6554000      -1.023000       1.139000
  1 1 1       6  -21   20 o    1.847000      0.5585000       1.986000 0.8500000       1.709000      0.7247000      0.2771000       1.117000
  1 1 1       6  -21   21 o    2.051000      0.5975000       2.579000 0.9687000       1.523000      0.6996000       1.056000       1.195000
  1 1 1       6  -21   22 o    3.381000      0.6508000       2.852000 1.030000       3.909000      0.7962000      -1.057000       1.302000
  1 1 1       6  -21   23 o    7.660000      0.3663000       6.723000 0.5969000       8.596000      0.4247000      -1.872000      0.7326000
  1 1 1       6  -21   24 o    5.911000      0.4252000       5.251000 0.6903000       6.570000      0.4965000      -1.319000      0.8504000
  1 1 1       6  -21   25 o    3.127000      0.5858000       2.450000 0.9183000       3.803000      0.7276000      -1.353000       1.172000
  1 1 1       6  -21   26 o    2.504000      0.6377000       2.305000 0.8921000       2.702000      0.9116000     -0.3966000       1.275000
  1 1 1       6  -20    0 o    8.323000      0.2988000       8.092000 0.4074000       8.555000      0.4372000     -0.4631000      0.5976000
  1 1 1       6  -20    1 o    2.831000      0.5513000       3.846000 0.7598000       1.816000      0.7990000       2.030000       1.103000
  1 1 1       6  -20    2 o    4.756000      0.5227000       4.169000 0.8008000       5.344000      0.6719000      -1.174000       1.045000
  1 1 1       6  -20    3 o    4.793000      0.5270000       4.051000 0.8534000       5.535000      0.6184000      -1.484000       1.054000
  1 1 1       6  -20    4 o    7.100000      0.5727000       7.100000 0.5727000                  ?              ?              ?              ?
  1 1 1       6  -20    5 o    6.446000      0.4804000       6.424000 0.7436000       6.467000      0.6083000     -0.4275000E-01  0.9607000
  1 1 1       6  -20    6 o    2.313000       1.005000                  ?       ?   2.313000       1.005000                  ?              ?
  1 1 1       6  -20    7 o    5.107000      0.6116000       6.032000 0.7299000       4.182000      0.9816000       1.851000       1.223000
  1 1 1       6  -20    8 f    4.198000      0.6944000       5.078000 0.8442000       3.317000       1.103000       1.761000       1.389000
  1 1 1       6  -20    9 f    12.17000      0.3371000       12.01000 0.4816000       12.33000      0.4719000     -0.3238000      0.6742000
  1 1 1       6  -20   10 o    7.548000      0.3127000       7.500000 0.4275000       7.595000      0.4566000     -0.9448000E-01  0.6255000
  1 1 1       6  -20   11 o    1.879000      0.5601000       1.714000 0.7399000       2.044000      0.8410000     -0.3301000       1.120000
  1 1 1       6  -20   12 o    5.354000      0.3657000       5.700000 0.4741000       5.008000      0.5570000      0.6921000      0.7315000
  1 1 1       6  -20   13 o    5.100000      0.3124000       5.398000 0.4434000       4.802000      0.4401000      0.5952000      0.6247000
  1 1 1       6  -20   14 o    7.741000      0.2678000       7.819000 0.3950000       7.664000      0.3617000      0.1548000      0.5356000
  1 1 1       6  -20   15 o    5.210000      0.3239000       5.290000 0.4905000       5.130000      0.4230000      0.1597000      0.6477000
  1 1 1       6  -20   16 o    3.635000      0.4596000       3.026000 0.7832000       4.244000      0.4811000      -1.218000      0.9192000
  1 1 1       6  -20   17 o    2.838000      0.5462000       2.526000 0.8553000       3.151000      0.6797000     -0.6248000       1.092000
  1 1 1       6  -20   18 o    1.864000      0.5537000       2.091000 0.8672000       1.636000      0.6886000      0.4549000       1.107000
  1 1 1       6  -20   19 o    5.926000      0.3397000       5.055000 0.5774000       6.798000      0.3581000      -1.744000      0.6794000
  1 1 1       6  -20   20 o    1.323000      0.4522000       1.536000 0.7219000       1.109000      0.5448000      0.4270000      0.9044000
  1 1 1       6  -20   21 o    2.254000      0.5977000       2.166000 0.8748000       2.342000      0.8146000     -0.1761000       1.195000
  1 1 1       6  -20   22 o    4.272000      0.5393000       3.428000 0.9279000       5.115000      0.5497000      -1.687000       1.079000
  1 1 1       6  -20   23 o    5.131000      0.4307000       4.745000 0.7065000       5.518000      0.4928000     -0.7727000      0.8614000
  1 1 1       6  -20   24 o    2.714000      0.5998000       2.054000 0.8577000       3.375000      0.8386000      -1.320000       1.200000
  1 1 1       6  -20   25 o    3.459000      0.5724000       3.158000 0.8981000       3.761000      0.7100000     -0.6035000       1.145000
  1 1 1       6  -20   26 o    2.431000      0.6291000       2.474000 0.9129000       2.388000      0.8659000      0.8548000E-01   1.258000
  1 1 1       6  -20   27 o    1.699000      0.5419000       1.872000 0.8130000       1.527000      0.7167000      0.3450000       1.084000
  1 1 1       6  -19    0 o    2.553000      0.5461000       2.449000 0.7867000       2.656000      0.7577000     -0.2066000       1.092000
  1 1 1       6  -19    1 f    6.085000      0.3364000       5.884000 0.4698000       6.287000      0.4817000     -0.4029000      0.6729000
  1 1 1       6  -19    2 o    6.959000      0.3517000       6.916000 0.4922000       7.002000      0.5024000     -0.8602000E-01  0.7033000
  1 1 1       6  -19    3 o    11.75000      0.3080000       11.60000 0.4211000       11.90000      0.4497000     -0.2961000      0.6161000
  1 1 1       6  -19    4 o    13.17000      0.3183000       13.16000 0.4364000       13.19000      0.4634000     -0.3905000E-01  0.6365000
  1 1 1       6  -19    5 o    10.31000      0.3561000       9.969000 0.5209000       10.65000      0.4857000     -0.6825000      0.7122000
  1 1 1       6  -19    6 o    6.678000      0.5615000       6.447000 0.8711000       6.909000      0.7089000     -0.4620000       1.123000
  1 1 1       6  -19    7 f    5.133000      0.6253000       4.856000 0.9811000       5.411000      0.7755000     -0.5549000       1.251000
  1 1 1       6  -19    8 o    4.090000      0.7099000       3.750000 1.033000       4.430000      0.9740000     -0.6807000       1.420000
  1 1 1       6  -19    9 o    4.134000      0.7100000       4.012000 0.9369000       4.256000       1.067000     -0.2437000       1.420000
  1 1 1       6  -19   10 o    5.534000      0.3978000       5.781000 0.5076000       5.288000      0.6126000      0.4927000      0.7956000
  1 1 1       6  -19   11 o    1.751000      0.5236000       1.947000 0.7678000       1.554000      0.7122000      0.3923000       1.047000
  1 1 1       6  -19   12 o    6.288000      0.2949000       6.296000 0.4253000       6.280000      0.4086000      0.1577000E-01  0.5897000
  1 1 1       6  -19   13 o    3.355000      0.4546000       2.940000 0.7268000       3.770000      0.5464000     -0.8302000      0.9093000
  1 1 1       6  -19   14 o    5.699000      0.2706000       5.830000 0.3879000       5.568000      0.3774000      0.2621000      0.5412000
  1 1 1       6  -19   15 o    5.135000      0.8248000       5.387000 0.4237000       4.884000       1.594000      0.5029000       1.650000
  1 1 1       6  -19   16 o    5.727000      0.2848000       5.699000 0.4499000       5.756000      0.3493000     -0.5615000E-01  0.5696000
  1 1 1       6  -19   17 o    6.447000      0.2918000       6.216000 0.4649000       6.678000      0.3528000     -0.4619000      0.5836000
  1 1 1       6  -19   18 o    2.449000      0.5366000       2.260000 0.8281000       2.637000      0.6827000     -0.3768000       1.073000
  1 1 1       6  -19   19 o    4.365000      0.4345000       3.858000 0.7589000       4.872000      0.4231000      -1.014000      0.8689000
  1 1 1       6  -19   20 o    1.913000      0.5425000       2.216000 0.8399000       1.611000      0.6870000      0.6045000       1.085000
  1 1 1       6  -19   21 o    3.048000      0.5476000       2.345000 0.8928000       3.751000      0.6342000      -1.406000       1.095000
  1 1 1       6  -19   22 o    2.900000      0.5603000       2.441000 0.8953000       3.360000      0.6740000     -0.9192000       1.121000
  1 1 1       6  -19   23 o    3.344000      0.5387000       2.950000 0.8752000       3.738000      0.6284000     -0.7877000       1.077000
  1 1 1       6  -19   24 o    2.491000      0.6020000       2.823000 0.8975000       2.158000      0.8026000      0.6645000       1.204000
  1 1 1       6  -19   25 f    4.833000      0.4227000       4.782000 0.6309000       4.884000      0.5628000     -0.1022000      0.8454000
  1 1 1       6  -19   26 o    5.037000      0.4041000       5.062000 0.5819000       5.012000      0.5608000      0.4962000E-01  0.8081000
  1 1 1       6  -19   27 f    2.450000      0.5984000       2.642000 0.8640000       2.259000      0.8282000      0.3826000       1.197000
  1 1 1       6  -19   28 f    2.139000      0.5810000       1.850000 0.7837000       2.427000      0.8579000     -0.5773000       1.162000
  1 1 1       6  -18    0 o    4.679000      0.6730000       4.399000 1.247000       4.958000      0.5074000     -0.5586000       1.346000
  1 1 1       6  -18    1 o    5.469000      0.3264000       5.876000 0.4513000       5.062000      0.4717000      0.8136000      0.6529000
  1 1 1       6  -18    2 o    10.03000      0.2900000       9.998000 0.3995000       10.06000      0.4203000     -0.5806000E-01  0.5799000
  1 1 1       6  -18    3 o    6.813000      0.3368000       6.602000 0.4622000       7.025000      0.4901000     -0.4231000      0.6737000
  1 1 1       6  -18    4 o    2.882000      0.5785000       2.475000 0.8932000       3.290000      0.7353000     -0.8149000       1.157000
  1 1 1       6  -18    5 o    4.300000      0.5886000       5.116000 0.7843000       3.484000      0.8780000       1.633000       1.177000
  1 1 1       6  -18    6 o    4.773000      0.7275000       4.696000 1.151000       4.851000      0.8906000     -0.1550000       1.455000
  1 1 1       6  -18    7 o    3.767000      0.7385000       3.891000 1.049000       3.644000       1.040000      0.2479000       1.477000
  1 1 1       6  -18    8 o    4.764000      0.6091000       5.261000 0.7703000       4.267000      0.9438000      0.9939000       1.218000
  1 1 1       6  -18    9 o    2.771000      0.7297000       2.676000 0.9756000       2.865000       1.085000     -0.1890000       1.459000
  1 1 1       6  -18   10 o    4.051000       1.189000       4.224000 1.873000       3.877000       1.464000      0.3467000       2.377000
  1 1 1       6  -18   11 o    6.270000       1.307000       7.530000 2.148000       5.010000       1.489000       2.520000       2.614000
  1 1 1       6  -18   12 o    3.981000       1.076000       3.351000 1.530000       4.611000       1.513000      -1.259000       2.152000
  1 1 1       6  -18   13 o    3.509000       1.028000       3.249000 1.334000       3.769000       1.566000     -0.5197000       2.057000
  1 1 1       6  -18   15 o    2.743000      0.8864000       2.508000 1.134000       2.978000       1.362000     -0.4700000       1.773000
  1 1 1       6  -18   16 o    3.437000      0.9445000       2.992000 1.230000       3.882000       1.433000     -0.8902000       1.889000
  1 1 1       6  -18   17 o    2.787000      0.7968000       2.176000 1.040000       3.397000       1.208000      -1.222000       1.594000
  1 1 1       6  -18   18 o    5.249000      0.8366000       4.734000 1.413000       5.765000      0.8956000      -1.032000       1.673000
  1 1 1       6  -18   19 o    5.675000      0.7473000       6.828000 1.064000       4.522000       1.049000       2.307000       1.495000
  1 1 1       6  -18   20 o    6.556000      0.5843000       6.542000 0.9262000       6.570000      0.7126000     -0.2785000E-01   1.169000
  1 1 1       6  -18   21 o    2.564000      0.5665000       2.057000 0.9166000       3.072000      0.6661000      -1.014000       1.133000
  1 1 1       6  -18   22 o    1.587000      0.4880000       2.010000 0.8036000       1.163000      0.5538000      0.8473000      0.9760000
  1 1 1       6  -18   23 o    2.227000      0.5631000       2.346000 0.8479000       2.108000      0.7411000      0.2378000       1.126000
  1 1 1       6  -18   24 o    2.321000      0.5684000       2.319000 0.8542000       2.322000      0.7500000     -0.2945000E-02   1.137000
  1 1 1       6  -18   25 o    3.431000      0.5135000       3.991000 0.6865000       2.871000      0.7639000       1.121000       1.027000
  1 1 1       6  -18   26 o    6.237000      0.3155000       5.708000 0.4901000       6.766000      0.3974000      -1.058000      0.6310000
  1 1 1       6  -18   27 o    2.129000      0.5744000       2.009000 0.8122000       2.249000      0.8124000     -0.2407000       1.149000
  1 1 1       6  -18   28 o    1.662000      0.5207000       1.506000 0.6972000       1.818000      0.7736000     -0.3115000       1.041000
  1 1 1       6  -18   29 o    2.632000      0.5883000       2.105000 0.8281000       3.158000      0.8360000      -1.053000       1.177000
  1 1 1       6  -17    0 o    4.236000      0.3369000       4.082000 0.4579000       4.390000      0.4943000     -0.3074000      0.6738000
  1 1 1       6  -17    1 o    1.608000      0.4867000       1.687000 0.7011000       1.530000      0.6752000      0.1569000      0.9734000
  1 1 1       6  -17    2 o    2.017000      0.5350000       1.469000 0.6819000       2.564000      0.8245000      -1.095000       1.070000
  1 1 1       6  -17    3 o    2.214000      0.4979000       3.139000 0.7865000       1.288000      0.6108000       1.850000      0.9958000
  1 1 1       6  -17    4 o    4.800000      0.4233000       4.604000 0.6650000       4.997000      0.5239000     -0.3921000      0.8466000
  1 1 1       6  -17    5 o    3.772000      0.9867000       3.772000 0.9867000                  ?              ?              ?              ?
  1 1 1       6  -17    6 o    3.115000      0.8368000       3.539000 1.339000       2.691000       1.004000      0.8479000       1.674000
  1 1 1       6  -17    7 o    2.380000      0.9931000                  ?       ?   2.380000      0.9931000                  ?              ?
  1 1 1       6  -17    8 o    6.325000      0.4341000       6.322000 0.6285000       6.327000      0.5988000     -0.4664000E-02  0.8681000
  1 1 1       6  -17    9 o    1.770000      0.5888000       1.582000 0.7623000       1.957000      0.8977000     -0.3746000       1.178000
  1 1 1       6  -17   10 o    1.774000      0.5336000       1.964000 0.7770000       1.585000      0.7316000      0.3782000       1.067000
  1 1 1       6  -17   11 o    6.518000      0.3005000       6.284000 0.3991000       6.751000      0.4494000     -0.4673000      0.6011000
  1 1 1       6  -17   12 o    3.742000      0.4066000       3.679000 0.5723000       3.804000      0.5778000     -0.1249000      0.8133000
  1 1 1       6  -17   13 o    4.166000      0.3160000       4.284000 0.4486000       4.048000      0.4452000      0.2365000      0.6320000
  1 1 1       6  -17   14 o    5.605000      0.2618000       5.908000 0.3736000       5.301000      0.3668000      0.6077000      0.5236000
  1 1 1       6  -17   15 o    4.291000      0.6669000       3.219000 1.290000       5.363000      0.3388000      -2.145000       1.334000
  1 1 1       6  -17   16 o    1.853000      0.4881000       1.852000 0.7288000       1.854000      0.6494000     -0.1553000E-02  0.9762000
  1 1 1       6  -17   17 o    7.938000      0.2463000       8.130000 0.3895000       7.747000      0.3015000      0.3831000      0.4925000
  1 1 1       6  -17   18 o    1.670000      0.4862000       1.636000 0.7150000       1.704000      0.6591000     -0.6772000E-01  0.9725000
  1 1 1       6  -17   19 o    6.358000      0.2844000       6.247000 0.4675000       6.468000      0.3239000     -0.2209000      0.5688000
  1 1 1       6  -17   20 o    2.065000      0.5376000       2.519000 0.8394000       1.612000      0.6718000      0.9070000       1.075000
  1 1 1       6  -17   21 o    5.606000      0.3043000       4.972000 0.5123000       6.239000      0.3287000      -1.268000      0.6087000
  1 1 1       6  -17   22 o    3.165000      0.4803000       2.983000 0.7852000       3.347000      0.5533000     -0.3642000      0.9606000
  1 1 1       6  -17   23 o    4.004000      0.5415000       4.052000 0.7964000       3.955000      0.7339000      0.9614000E-01   1.083000
  1 1 1       6  -17   24 o    6.189000      0.3487000       5.828000 0.5132000       6.550000      0.4721000     -0.7215000      0.6973000
  1 1 1       6  -17   25 o    1.678000      0.5250000       1.766000 0.7593000       1.589000      0.7253000      0.1774000       1.050000
  1 1 1       6  -17   26 o    4.896000      0.4352000       4.717000 0.6476000       5.076000      0.5814000     -0.3584000      0.8704000
  1 1 1       6  -17   27 o    5.508000      0.4251000       5.487000 0.5829000       5.530000      0.6190000     -0.4236000E-01  0.8502000
  1 1 1       6  -17   28 f    2.710000      0.5884000       2.986000 0.8435000       2.433000      0.8207000      0.5527000       1.177000
  1 1 1       6  -17   29 o    2.334000      0.5834000       2.032000 0.8188000       2.636000      0.8314000     -0.6045000       1.167000
  1 1 1       6  -17   30 o    1.774000      0.5412000       1.848000 0.7814000       1.700000      0.7489000      0.1487000       1.082000
  1 1 1       6  -16    0 o    2.116000      0.4982000       2.058000 0.6797000       2.173000      0.7286000     -0.1155000      0.9964000
  1 1 1       6  -16    1 o    5.270000      0.2881000       5.257000 0.4008000       5.283000      0.4139000     -0.2556000E-01  0.5762000
  1 1 1       6  -16    2 o    4.504000      0.3781000       4.261000 0.5541000       4.747000      0.5145000     -0.4863000      0.7561000
  1 1 1       6  -16    3 o    4.930000      0.3694000       4.732000 0.5483000       5.129000      0.4952000     -0.3968000      0.7388000
  1 1 1       6  -16    4 o    1.805000      0.5369000       1.957000 0.7867000       1.653000      0.7309000      0.3033000       1.074000
  1 1 1       6  -16    5 o    2.588000      0.9341000       2.588000 0.9341000                  ?              ?              ?              ?
  1 1 1       6  -16    6 o    4.947000      0.5371000       5.489000 0.8413000       4.405000      0.6679000       1.084000       1.074000
  1 1 1       6  -16    8 o    3.347000      0.8338000       2.257000 0.9336000       4.436000       1.382000      -2.178000       1.668000
  1 1 1       6  -16    9 o    7.090000      0.5378000       7.207000 0.5463000       6.972000      0.9265000      0.2347000       1.076000
  1 1 1       6  -16   10 o    3.474000      0.5294000       4.204000 0.5611000       2.744000      0.8979000       1.460000       1.059000
  1 1 1       6  -16   11 o    3.432000      0.4756000       2.649000 0.7205000       4.216000      0.6210000      -1.568000      0.9512000
  1 1 1       6  -16   12 o    4.801000      0.3045000       4.933000 0.4014000       4.668000      0.4580000      0.2654000      0.6090000
  1 1 1       6  -16   13 o    4.631000      0.2687000       4.583000 0.3897000       4.679000      0.3699000     -0.9555000E-01  0.5373000
  1 1 1       6  -16   14 o    5.228000      0.2612000       5.047000 0.3904000       5.410000      0.3472000     -0.3636000      0.5225000
  1 1 1       6  -16   15 o    8.335000      0.2381000       8.677000 0.3557000       7.994000      0.3166000      0.6834000      0.4762000
  1 1 1       6  -16   16 o    8.173000      0.2455000       8.577000 0.3708000       7.769000      0.3218000      0.8085000      0.4910000
  1 1 1       6  -16   17 o    8.272000      0.2576000       8.559000 0.3952000       7.984000      0.3304000      0.5744000      0.5151000
  1 1 1       6  -16   18 o    3.992000      0.3883000       4.310000 0.5909000       3.675000      0.5038000      0.6343000      0.7765000
  1 1 1       6  -16   19 o    5.903000      0.3196000       5.831000 0.5149000       5.975000      0.3787000     -0.1441000      0.6392000
  1 1 1       6  -16   20 o    11.42000      0.2943000       11.70000 0.4377000       11.15000      0.3935000      0.5455000      0.5885000
  1 1 1       6  -16   21 o    2.083000      0.5740000       1.984000 0.8603000       2.181000      0.7603000     -0.1978000       1.148000
  1 1 1       6  -16   22 f    6.054000      0.4163000       5.455000 0.7338000       6.652000      0.3933000      -1.198000      0.8325000
  1 1 1       6  -16   23 o    4.671000      0.2839000       5.144000 0.4025000       4.199000      0.4004000      0.9446000      0.5678000
  1 1 1       6  -16   24 o    4.444000      0.2942000       4.473000 0.4449000       4.415000      0.3851000      0.5820000E-01  0.5884000
  1 1 1       6  -16   25 o    2.499000      0.4922000       2.325000 0.7463000       2.673000      0.6418000     -0.3485000      0.9843000
  1 1 1       6  -16   26 f    3.872000      0.3876000       4.335000 0.5255000       3.408000      0.5699000      0.9264000      0.7753000
  1 1 1       6  -16   27 o    5.213000      0.3245000       5.258000 0.4770000       5.167000      0.4400000      0.9103000E-01  0.6489000
  1 1 1       6  -16   28 o    2.116000      0.5501000       1.163000 0.5670000       3.069000      0.9429000      -1.906000       1.100000
  1 1 1       6  -16   29 o    2.304000      0.6365000       1.912000 0.8177000       2.695000      0.9756000     -0.7832000       1.273000
  1 1 1       6  -16   30 o    3.179000      0.6393000       3.807000 0.8156000       2.552000      0.9846000       1.255000       1.279000
  1 1 1       6  -16   31 o    2.372000      0.6677000       2.658000 0.9698000       2.086000      0.9179000      0.5725000       1.335000
  1 1 1       6  -15    0 o    3.938000      0.3393000       3.916000 0.4554000       3.961000      0.5031000     -0.4484000E-01  0.6785000
  1 1 1       6  -15    1 o    9.334000      0.5109000       9.549000 0.5564000       9.120000      0.8571000      0.4288000       1.022000
  1 1 1       6  -15    2 o    4.756000       1.014000       4.938000 1.203000       4.575000       1.633000      0.3630000       2.029000
  1 1 1       6  -15    3 o    3.662000       1.015000       4.140000 1.420000       3.184000       1.450000      0.9568000       2.030000
  1 1 1       6  -15    4 o    4.265000       1.029000       4.607000 1.427000       3.923000       1.484000      0.6840000       2.059000
  1 1 1       6  -15    5 o    2.644000      0.5881000       3.042000 0.9041000       2.246000      0.7524000      0.7961000       1.176000
  1 1 1       6  -15    6 o    3.827000      0.6434000       4.420000 0.9785000       3.234000      0.8358000       1.187000       1.287000
  1 1 1       6  -15    7 o    3.833000      0.5970000       3.700000 0.9237000       3.966000      0.7564000     -0.2659000       1.194000
  1 1 1       6  -15    8 o    2.399000      0.6738000       2.352000 0.9404000       2.445000      0.9653000     -0.9308000E-01   1.348000
  1 1 1       6  -15    9 o    5.323000      0.5361000       5.730000 0.5721000       4.917000      0.9068000      0.8132000       1.072000
  1 1 1       6  -15   10 o    2.221000      0.5536000       2.099000 0.7379000       2.344000      0.8254000     -0.2442000       1.107000
  1 1 1       6  -15   11 o    8.664000      0.2501000       8.377000 0.3339000       8.951000      0.3724000     -0.5735000      0.5001000
  1 1 1       6  -15   12 o    7.502000      0.2295000       7.428000 0.3294000       7.577000      0.3196000     -0.1488000      0.4590000
  1 1 1       6  -15   13 o    8.985000      0.2248000       9.149000 0.3265000       8.820000      0.3091000      0.3290000      0.4496000
  1 1 1       6  -15   14 o    3.259000      0.3468000       3.229000 0.5291000       3.290000      0.4486000     -0.6100000E-01  0.6937000
  1 1 1       6  -15   15 o    8.546000      0.2234000       8.400000 0.3422000       8.692000      0.2872000     -0.2918000      0.4468000
  1 1 1       6  -15   16 f    4.081000      0.3044000       4.082000 0.4914000       4.080000      0.3592000      0.2404000E-02  0.6087000
  1 1 1       6  -15   17 o    7.809000      0.2305000       7.981000 0.3634000       7.637000      0.2838000      0.3433000      0.4611000
  1 1 1       6  -15   18 o    2.452000      0.4820000       2.355000 0.7565000       2.550000      0.5977000     -0.1949000      0.9641000
  1 1 1       6  -15   19 o    10.65000      0.2475000       10.87000 0.4122000       10.44000      0.2743000      0.4280000      0.4951000
  1 1 1       6  -15   20 o    4.680000      0.2854000       4.377000 0.4744000       4.982000      0.3174000     -0.6046000      0.5708000
  1 1 1       6  -15   21 o    6.311000      0.2344000       6.078000 0.3696000       6.543000      0.2885000     -0.4652000      0.4689000
  1 1 1       6  -15   22 o    10.71000      0.2013000       10.66000 0.2961000       10.75000      0.2728000     -0.8720000E-01  0.4026000
  1 1 1       6  -15   23 o    1.009000      0.3456000       1.111000 0.5270000      0.9074000      0.4471000      0.2041000      0.6911000
  1 1 1       6  -15   24 o    3.548000      0.5992000       3.052000 1.023000       4.044000      0.6233000     -0.9927000       1.198000
  1 1 1       6  -15   25 o    2.139000      0.6245000       2.219000 0.9531000       2.058000      0.8073000      0.1603000       1.249000
  1 1 1       6  -15   26 o    5.783000      0.5313000       4.984000 0.9379000       6.583000      0.4997000      -1.598000       1.063000
  1 1 1       6  -15   27 f    7.811000      0.4225000       7.610000 0.7099000       8.013000      0.4584000     -0.4035000      0.8451000
  1 1 1       6  -15   28 o    3.112000      0.4813000       3.867000 0.5551000       2.358000      0.7864000       1.509000      0.9626000
  1 1 1       6  -15   29 o    1.600000      0.4967000       1.444000 0.6590000       1.755000      0.7434000     -0.3110000      0.9934000
  1 1 1       6  -15   30 f    2.259000      0.5706000       2.033000 0.8007000       2.486000      0.8130000     -0.4531000       1.141000
  1 1 1       6  -15   31 o    2.239000      0.5551000       2.710000 0.8117000       1.768000      0.7574000      0.9421000       1.110000
  1 1 1       6  -14    0 o    10.65000      0.2202000       10.84000 0.2966000       10.46000      0.3256000      0.3815000      0.4404000
  1 1 1       6  -14    1 o    7.772000      0.2184000       7.963000 0.2942000       7.580000      0.3228000      0.3832000      0.4368000
  1 1 1       6  -14    2 o    7.688000      0.2333000       7.996000 0.3206000       7.380000      0.3389000      0.6164000      0.4666000
  1 1 1       6  -14    3 o    2.355000      0.5390000       2.123000 0.7803000       2.586000      0.7437000     -0.4630000       1.078000
  1 1 1       6  -14    4 o    1.395000      0.4511000       1.245000 0.5956000       1.545000      0.6777000     -0.3001000      0.9023000
  1 1 1       6  -14    5 o    2.506000      0.5814000       3.147000 0.8837000       1.864000      0.7559000       1.282000       1.163000
  1 1 1       6  -14    6 o    2.997000      0.6850000       2.714000 1.040000       3.281000      0.8917000     -0.5676000       1.370000
  1 1 1       6  -14    7 o    7.467000      0.4764000       7.670000 0.8293000       7.264000      0.4692000      0.4059000      0.9528000
  1 1 1       6  -14    8 o    8.415000      0.4307000       8.088000 0.4635000       8.742000      0.7261000     -0.6544000      0.8614000
  1 1 1       6  -14    9 o    9.672000      0.3210000       9.457000 0.4160000       9.888000      0.4888000     -0.4312000      0.6419000
  1 1 1       6  -14   10 o    3.239000      0.4631000       3.336000 0.5831000       3.143000      0.7195000      0.1932000      0.9261000
  1 1 1       6  -14   11 o    1.630000      0.4701000       1.596000 0.6318000       1.663000      0.6962000     -0.6680000E-01  0.9401000
  1 1 1       6  -14   12 o    2.067000      0.4319000       2.161000 0.6080000       1.972000      0.6137000      0.1894000      0.8638000
  1 1 1       6  -14   13 o    6.244000      0.2148000       5.978000 0.3143000       6.510000      0.2928000     -0.5322000      0.4295000
  1 1 1       6  -14   14 o    5.873000      0.2188000       5.839000 0.3272000       5.906000      0.2907000     -0.6742000E-01  0.4377000
  1 1 1       6  -14   15 o    6.418000      0.2202000       6.042000 0.3439000       6.794000      0.2750000     -0.7513000      0.4404000
  1 1 1       6  -14   16 o    4.560000      0.2756000       4.356000 0.4506000       4.765000      0.3175000     -0.4083000      0.5512000
  1 1 1       6  -14   17 o    3.656000      0.3349000       3.642000 0.5561000       3.671000      0.3734000     -0.2868000E-01  0.6698000
  1 1 1       6  -14   18 o    5.991000      0.2763000       6.149000 0.3345000       5.833000      0.4398000      0.3154000      0.5525000
  1 1 1       6  -14   19 o    5.240000      0.2313000       5.385000 0.3571000       5.094000      0.2941000      0.2913000      0.4626000
  1 1 1       6  -14   20 o    4.972000      0.2492000       4.831000 0.3966000       5.113000      0.3019000     -0.2821000      0.4984000
  1 1 1       6  -14   21 o    9.200000      0.1879000       8.987000 0.2781000       9.413000      0.2528000     -0.4258000      0.3758000
  1 1 1       6  -14   22 o    9.253000      0.1857000       9.142000 0.2704000       9.364000      0.2547000     -0.2217000      0.3715000
  1 1 1       6  -14   23 o    5.140000      0.2210000       5.228000 0.3292000       5.052000      0.2949000      0.1757000      0.4420000
  1 1 1       6  -14   24 o    1.707000      0.4409000       1.447000 0.6060000       1.966000      0.6407000     -0.5197000      0.8819000
  1 1 1       6  -14   25 o    1.901000      0.4666000       2.034000 0.6702000       1.768000      0.6493000      0.2661000      0.9331000
  1 1 1       6  -14   26 o    4.633000      0.2765000       4.607000 0.3955000       4.659000      0.3867000     -0.5208000E-01  0.5531000
  1 1 1       6  -14   27 o    2.821000      0.4651000       2.974000 0.6403000       2.667000      0.6749000      0.3077000      0.9303000
  1 1 1       6  -14   28 o    3.737000      0.6685000       3.633000 1.054000       3.842000      0.8229000     -0.2095000       1.337000
  1 1 1       6  -14   29 o    2.614000      0.6462000       1.908000 0.8858000       3.320000      0.9410000      -1.412000       1.292000
  1 1 1       6  -14   30 o    3.209000      0.7005000       3.417000 1.031000       3.000000      0.9488000      0.4170000       1.401000
  1 1 1       6  -14   31 o    2.030000      0.5212000       1.656000 0.7137000       2.404000      0.7598000     -0.7478000       1.042000
  1 1 1       6  -14   32 o    3.056000      0.5469000       3.390000 0.7187000       2.722000      0.8244000      0.6682000       1.094000
  1 1 1       6  -13    0 o    6.694000      0.2075000       6.429000 0.2756000       6.959000      0.3103000     -0.5295000      0.4150000
  1 1 1       6  -13    1 o    2.379000      0.4220000       2.178000 0.5935000       2.579000      0.6002000     -0.4010000      0.8441000
  1 1 1       6  -13    2 o    7.628000      0.2115000       7.513000 0.2837000       7.743000      0.3137000     -0.2301000      0.4229000
  1 1 1       6  -13    3 o    8.899000      0.2421000       8.988000 0.3329000       8.810000      0.3516000      0.1773000      0.4842000
  1 1 1       6  -13    4 o    3.954000      0.4001000       3.392000 0.6375000       4.516000      0.4835000      -1.124000      0.8001000
  1 1 1       6  -13    5 o    1.756000      0.5163000       1.837000 0.7560000       1.676000      0.7035000      0.1613000       1.033000
  1 1 1       6  -13    6 o    1.559000      0.5199000       1.814000 0.8435000       1.303000      0.6080000      0.5118000       1.040000
  1 1 1       6  -13    7 o    11.38000      0.3114000       11.37000 0.4419000       11.39000      0.4388000     -0.2036000E-01  0.6227000
  1 1 1       6  -13    8 o    4.385000      0.7439000                  ?       ?   4.385000      0.7439000                  ?              ?
  1 1 1       6  -13    9 o    6.362000      0.4158000       6.642000 0.4992000       6.082000      0.6650000      0.5600000      0.8315000
  1 1 1       6  -13   10 o    9.531000      0.2415000       9.617000 0.3403000       9.445000      0.3428000      0.1716000      0.4830000
  1 1 1       6  -13   11 o    6.378000      0.2427000       5.999000 0.3127000       6.756000      0.3711000     -0.7565000      0.4853000
  1 1 1       6  -13   12 o    4.574000      0.2223000       4.368000 0.3273000       4.781000      0.3010000     -0.4127000      0.4447000
  1 1 1       6  -13   13 o    3.706000      0.2610000       3.431000 0.4009000       3.980000      0.3344000     -0.5481000      0.5220000
  1 1 1       6  -13   14 o    6.792000      0.2051000       6.683000 0.3151000       6.901000      0.2625000     -0.2185000      0.4101000
  1 1 1       6  -13   15 o    9.556000      0.2102000       9.748000 0.3250000       9.364000      0.2667000      0.3839000      0.4204000
  1 1 1       6  -13   16 o    5.076000      0.2437000       5.209000 0.3816000       4.943000      0.3034000      0.2656000      0.4875000
  1 1 1       6  -13   17 o    11.02000      0.1983000       11.20000 0.2948000       10.83000      0.2653000      0.3778000      0.3966000
  1 1 1       6  -13   18 f    1.384000      0.4087000       1.448000 0.6165000       1.320000      0.5368000      0.1280000      0.8174000
  1 1 1       6  -13   19 o    7.594000      0.1878000       7.490000 0.2876000       7.698000      0.2415000     -0.2078000      0.3756000
  1 1 1       6  -13   20 o    7.423000      0.1773000       7.373000 0.2678000       7.472000      0.2323000     -0.9956000E-01  0.3546000
  1 1 1       6  -13   21 o    6.077000      0.1873000       6.123000 0.2819000       6.031000      0.2468000      0.9264000E-01  0.3747000
  1 1 1       6  -13   22 o    1.389000      0.3964000       1.228000 0.5427000       1.550000      0.5779000     -0.3226000      0.7928000
  1 1 1       6  -13   23 o    6.220000      0.1939000       6.460000 0.2781000       5.981000      0.2703000      0.4794000      0.3878000
  1 1 1       6  -13   24 o    2.271000      0.3718000       3.062000 0.4548000       1.481000      0.5884000       1.581000      0.7437000
  1 1 1       6  -13   25 o    2.046000      0.4399000       2.323000 0.6136000       1.769000      0.6306000      0.5541000      0.8799000
  1 1 1       6  -13   26 o    3.581000      0.3406000       3.752000 0.4374000       3.411000      0.5223000      0.3409000      0.6812000
  1 1 1       6  -13   27 o    4.669000      0.2785000       4.619000 0.3870000       4.718000      0.4005000     -0.9895000E-01  0.5569000
  1 1 1       6  -13   28 o    4.624000      0.3023000       4.725000 0.3998000       4.522000      0.4536000      0.2037000      0.6046000
  1 1 1       6  -13   29 o    5.767000      0.2816000       6.122000 0.3758000       5.411000      0.4195000      0.7105000      0.5632000
  1 1 1       6  -13   30 o    1.736000      0.5101000       1.869000 0.7407000       1.603000      0.7015000      0.2664000       1.020000
  1 1 1       6  -13   31 o    2.739000      0.6750000       2.282000 0.9622000       3.195000      0.9470000     -0.9138000       1.350000
  1 1 1       6  -13   32 o    3.250000      0.7150000       2.912000 1.066000       3.588000      0.9529000     -0.6759000       1.430000
  1 1 1       6  -13   33 o    2.177000      0.6306000       1.688000 0.8045000       2.667000      0.9713000     -0.9793000       1.261000
  1 1 1       6  -12    0 o    11.39000      0.1934000       11.26000 0.2650000       11.52000      0.2817000     -0.2612000      0.3868000
  1 1 1       6  -12    1 o    14.82000      0.2350000       14.76000 0.3203000       14.88000      0.3438000     -0.1275000      0.4699000
  1 1 1       6  -12    2 o    5.714000      0.2142000       5.813000 0.2856000       5.616000      0.3193000      0.1964000      0.4284000
  1 1 1       6  -12    3 o    7.048000      0.2320000       7.040000 0.3177000       7.056000      0.3383000     -0.1565000E-01  0.4641000
  1 1 1       6  -12    4 o    6.428000      0.2632000       6.318000 0.3909000       6.538000      0.3527000     -0.2204000      0.5265000
  1 1 1       6  -12    5 o    5.883000      0.2869000       5.862000 0.4218000       5.904000      0.3890000     -0.4198000E-01  0.5737000
  1 1 1       6  -12    6 o    3.368000      0.9247000       3.368000 0.9247000                  ?              ?              ?              ?
  1 1 1       6  -12    7 o    9.468000      0.3069000       9.574000 0.4463000       9.362000      0.4214000      0.2122000      0.6138000
  1 1 1       6  -12    8 o    5.028000      0.6154000                  ?       ?   5.028000      0.6154000                  ?              ?
  1 1 1       6  -12    9 o    7.441000      0.3618000       7.682000 0.4558000       7.200000      0.5621000      0.4820000      0.7237000
  1 1 1       6  -12   10 o    8.610000      0.2348000       8.977000 0.3337000       8.244000      0.3304000      0.7334000      0.4696000
  1 1 1       6  -12   11 f    6.370000      0.2237000       6.339000 0.3049000       6.402000      0.3275000     -0.6322000E-01  0.4474000
  1 1 1       6  -12   12 o    7.748000      0.1979000       7.974000 0.2857000       7.522000      0.2740000      0.4513000      0.3958000
  1 1 1       6  -12   13 o    6.877000      0.1890000       6.713000 0.2706000       7.040000      0.2640000     -0.3271000      0.3781000
  1 1 1       6  -12   14 o    5.941000      0.2008000       6.058000 0.3081000       5.825000      0.2578000      0.2334000      0.4017000
  1 1 1       6  -12   15 o    12.34000      0.2199000       12.30000 0.3295000       12.39000      0.2912000     -0.8651000E-01  0.4397000
  1 1 1       6  -12   16 f    9.405000      0.1909000       9.218000 0.2898000       9.591000      0.2487000     -0.3730000      0.3819000
  1 1 1       6  -12   17 o    8.706000      0.1812000       8.778000 0.2750000       8.635000      0.2360000      0.1429000      0.3624000
  1 1 1       6  -12   18 f    8.043000      0.1784000       8.073000 0.2682000       8.014000      0.2354000      0.5834000E-01  0.3569000
  1 1 1       6  -12   19 o    3.773000      0.2338000       3.934000 0.3426000       3.612000      0.3183000      0.3216000      0.4676000
  1 1 1       6  -12   20 o    12.65000      0.1982000       12.61000 0.2863000       12.68000      0.2742000     -0.6350000E-01  0.3964000
  1 1 1       6  -12   21 o    3.238000      0.2685000       3.530000 0.3561000       2.946000      0.4020000      0.5845000      0.5370000
  1 1 1       6  -12   22 o    5.736000      0.1856000       5.786000 0.2642000       5.687000      0.2606000      0.9886000E-01  0.3711000
  1 1 1       6  -12   23 o    1.628000      0.4109000       1.725000 0.5794000       1.531000      0.5827000      0.1938000      0.8218000
  1 1 1       6  -12   24 o    6.519000      0.1881000       6.397000 0.2703000       6.641000      0.2616000     -0.2438000      0.3762000
  1 1 1       6  -12   25 o    2.130000      0.4300000       2.165000 0.5836000       2.095000      0.6316000      0.7015000E-01  0.8599000
  1 1 1       6  -12   26 o    7.711000      0.1977000       7.797000 0.2767000       7.625000      0.2823000      0.1714000      0.3953000
  1 1 1       6  -12   27 o    6.727000      0.2139000       6.417000 0.2974000       7.036000      0.3077000     -0.6197000      0.4279000
  1 1 1       6  -12   28 o    4.903000      0.2780000       4.988000 0.3702000       4.818000      0.4149000      0.1701000      0.5560000
  1 1 1       6  -12   29 f    6.225000      0.2578000       6.068000 0.3616000       6.382000      0.3675000     -0.3146000      0.5156000
  1 1 1       6  -12   30 o    6.999000      0.2570000       7.121000 0.3489000       6.877000      0.3773000      0.2445000      0.5139000
  1 1 1       6  -12   31 o    3.369000      0.4940000       3.614000 0.6273000       3.124000      0.7632000      0.4901000      0.9879000
  1 1 1       6  -12   32 o    4.472000      0.3828000       4.299000 0.5396000       4.645000      0.5432000     -0.3465000      0.7656000
  1 1 1       6  -12   33 o    3.249000      0.6995000       3.248000 1.033000       3.250000      0.9438000     -0.1347000E-02   1.399000
  1 1 1       6  -11    0 o    7.301000      0.1685000       7.131000 0.2311000       7.471000      0.2452000     -0.3409000      0.3370000
  1 1 1       6  -11    1 o    5.241000      0.1997000       5.470000 0.2560000       5.012000      0.3065000      0.4580000      0.3994000
  1 1 1       6  -11    2 o    11.81000      0.2070000       11.81000 0.2804000       11.82000      0.3045000     -0.8039000E-02  0.4140000
  1 1 1       6  -11    3 o    8.242000      0.1973000       8.416000 0.2674000       8.067000      0.2901000      0.3491000      0.3945000
  1 1 1       6  -11    4 o    5.964000      0.2489000       5.713000 0.3622000       6.215000      0.3415000     -0.5019000      0.4978000
  1 1 1       6  -11    5 o    4.939000      0.3023000       4.394000 0.4789000       5.484000      0.3691000      -1.090000      0.6046000
  1 1 1       6  -11    6 o    7.941000      0.2838000       8.790000 0.4254000       7.092000      0.3758000       1.698000      0.5676000
  1 1 1       6  -11    7 o    5.223000      0.4535000       4.506000 0.7766000       5.941000      0.4686000      -1.435000      0.9070000
  1 1 1       6  -11    8 o    1.578000      0.5163000       1.605000 0.7305000       1.551000      0.7298000      0.5397000E-01   1.033000
  1 1 1       6  -11    9 o    2.752000      0.6192000       3.044000 0.8023000       2.461000      0.9435000      0.5831000       1.238000
  1 1 1       6  -11   10 o    2.345000      0.4418000       1.975000 0.6230000       2.715000      0.6267000     -0.7395000      0.8837000
  1 1 1       6  -11   11 o    3.464000      0.2973000       3.507000 0.3999000       3.421000      0.4401000      0.8578000E-01  0.5947000
  1 1 1       6  -11   12 o    12.72000      0.2436000       12.70000 0.3652000       12.74000      0.3225000     -0.3718000E-01  0.4872000
  1 1 1       6  -11   13 o    10.99000      0.2207000       10.94000 0.3382000       11.04000      0.2837000     -0.9567000E-01  0.4414000
  1 1 1       6  -11   14 o    6.403000      0.1867000       6.293000 0.2891000       6.513000      0.2363000     -0.2203000      0.3734000
  1 1 1       6  -11   15 o    8.433000      0.1861000       8.670000 0.2874000       8.197000      0.2365000      0.4727000      0.3722000
  1 1 1       6  -11   16 o    6.920000      0.1719000       6.785000 0.2609000       7.055000      0.2238000     -0.2703000      0.3437000
  1 1 1       6  -11   17 o    2.875000      0.3255000       2.659000 0.5292000       3.091000      0.3790000     -0.4319000      0.6509000
  1 1 1       6  -11   18 o    11.35000      0.1837000       11.37000 0.2652000       11.33000      0.2541000      0.3677000E-01  0.3673000
  1 1 1       6  -11   19 o    1.486000      0.3695000       1.735000 0.5478000       1.237000      0.4960000      0.4975000      0.7390000
  1 1 1       6  -11   20 o    8.716000      0.1684000       8.471000 0.2452000       8.961000      0.2310000     -0.4898000      0.3369000
  1 1 1       6  -11   21 o    3.177000      0.2584000       3.029000 0.3715000       3.324000      0.3592000     -0.2950000      0.5167000
  1 1 1       6  -11   22 o    7.625000      0.1687000       7.417000 0.2368000       7.834000      0.2403000     -0.4172000      0.3373000
  1 1 1       6  -11   23 f    5.481000      0.1943000       5.532000 0.2640000       5.431000      0.2850000      0.1009000      0.3885000
  1 1 1       6  -11   24 o    2.903000      0.3208000       2.674000 0.4594000       3.131000      0.4480000     -0.4573000      0.6416000
  1 1 1       6  -11   25 o    1.710000      0.4272000       1.481000 0.5695000       1.939000      0.6369000     -0.4581000      0.8544000
  1 1 1       6  -11   26 o    8.878000      0.1957000       8.593000 0.2763000       9.164000      0.2773000     -0.5714000      0.3914000
  1 1 1       6  -11   27 f    5.416000      0.2450000       5.502000 0.3277000       5.330000      0.3644000      0.1716000      0.4901000
  1 1 1       6  -11   28 o    2.689000      0.4387000       1.941000 0.6624000       3.438000      0.5754000      -1.497000      0.8774000
  1 1 1       6  -11   29 o    2.303000      0.5160000       2.084000 0.7186000       2.521000      0.7408000     -0.4367000       1.032000
  1 1 1       6  -11   30 o    9.115000      0.2277000       9.250000 0.3191000       8.979000      0.3248000      0.2710000      0.4553000
  1 1 1       6  -11   31 o    3.881000      0.4138000       3.384000 0.6146000       4.378000      0.5541000     -0.9943000      0.8275000
  1 1 1       6  -11   32 o    2.302000      0.5262000       2.773000 0.7218000       1.831000      0.7659000      0.9421000       1.052000
  1 1 1       6  -11   33 o    2.909000      0.5013000       2.050000 0.7676000       3.768000      0.6448000      -1.718000       1.003000
  1 1 1       6  -11   34 o    2.640000      0.5695000       2.521000 0.7960000       2.759000      0.8147000     -0.2379000       1.139000
  1 1 1       6  -10    0 o    11.01000      0.1804000       10.79000 0.2482000       11.22000      0.2619000     -0.4301000      0.3608000
  1 1 1       6  -10    1 o    12.31000      0.1944000       12.17000 0.2674000       12.45000      0.2822000     -0.2796000      0.3887000
  1 1 1       6  -10    2 o    5.980000      0.1782000       5.716000 0.2439000       6.244000      0.2599000     -0.5277000      0.3564000
  1 1 1       6  -10    3 o    7.707000      0.1833000       7.860000 0.2487000       7.555000      0.2694000      0.3046000      0.3666000
  1 1 1       6  -10    4 o    5.514000      0.2209000       5.501000 0.3100000       5.527000      0.3147000     -0.2631000E-01  0.4417000
  1 1 1       6  -10    5 o    3.847000      0.3203000       3.809000 0.4818000       3.885000      0.4222000     -0.7593000E-01  0.6407000
  1 1 1       6  -10    6 f    2.570000      0.5667000       2.219000 0.8929000       2.921000      0.6981000     -0.7020000       1.133000
  1 1 1       6  -10    7 o    15.96000      0.3026000       16.39000 0.4078000       15.53000      0.4472000      0.8593000      0.6052000
  1 1 1       6  -10    8 o    11.00000      0.2819000       11.08000 0.3908000       10.92000      0.4064000      0.1606000      0.5638000
  1 1 1       6  -10    9 o    7.819000      0.3088000       7.915000 0.4122000       7.723000      0.4599000      0.1913000      0.6176000
  1 1 1       6  -10   10 o    8.076000      0.2140000       8.310000 0.3020000       7.842000      0.3034000      0.4673000      0.4281000
  1 1 1       6  -10   11 o    1.605000      0.3888000       1.867000 0.5533000       1.343000      0.5462000      0.5243000      0.7775000
  1 1 1       6  -10   12 o    7.883000      0.1853000       7.715000 0.2713000       8.051000      0.2524000     -0.3362000      0.3706000
  1 1 1       6  -10   13 o    7.931000      0.1798000       7.793000 0.2723000       8.069000      0.2349000     -0.2759000      0.3596000
  1 1 1       6  -10   14 o    8.279000      0.1829000       8.145000 0.2813000       8.412000      0.2339000     -0.2665000      0.3659000
  1 1 1       6  -10   15 o    1.173000      0.3351000      0.9767000 0.4614000       1.370000      0.4860000     -0.3933000      0.6701000
  1 1 1       6  -10   16 o    3.708000      0.2231000       3.736000 0.3523000       3.679000      0.2738000      0.5711000E-01  0.4462000
  1 1 1       6  -10   17 o    6.293000      0.1619000       6.196000 0.2420000       6.390000      0.2150000     -0.1939000      0.3237000
  1 1 1       6  -10   18 o    7.531000      0.1541000       7.395000 0.2252000       7.667000      0.2105000     -0.2720000      0.3083000
  1 1 1       6  -10   19 o    6.389000      0.1617000       6.654000 0.2348000       6.124000      0.2224000      0.5300000      0.3234000
  1 1 1       6  -10   20 o    10.37000      0.1761000       10.44000 0.2522000       10.29000      0.2460000      0.1504000      0.3523000
  1 1 1       6  -10   21 o    6.919000      0.1643000       6.899000 0.2307000       6.939000      0.2339000     -0.4066000E-01  0.3285000
  1 1 1       6  -10   22 o    4.688000      0.1993000       4.683000 0.2739000       4.694000      0.2898000     -0.1051000E-01  0.3987000
  1 1 1       6  -10   23 o    4.091000      0.2382000       4.480000 0.2792000       3.702000      0.3861000      0.7781000      0.4764000
  1 1 1       6  -10   24 o    9.627000      0.1848000       9.635000 0.2632000       9.620000      0.2594000      0.1488000E-01  0.3695000
  1 1 1       6  -10   25 f    7.537000      0.1898000       7.617000 0.2641000       7.456000      0.2726000      0.1618000      0.3795000
  1 1 1       6  -10   26 o    2.949000      0.3700000       3.450000 0.3959000       2.449000      0.6251000       1.000000      0.7400000
  1 1 1       6  -10   27 o    2.136000      0.4679000       1.893000 0.6329000       2.379000      0.6893000     -0.4864000      0.9358000
  1 1 1       6  -10   28 o    2.446000      0.4841000       2.338000 0.6623000       2.555000      0.7062000     -0.2174000      0.9682000
  1 1 1       6  -10   29 o    3.664000      0.3854000       3.821000 0.4873000       3.508000      0.5973000      0.3135000      0.7709000
  1 1 1       6  -10   30 o    5.500000      0.2889000       5.812000 0.3677000       5.188000      0.4457000      0.6242000      0.5778000
  1 1 1       6  -10   31 o    7.502000      0.2477000       7.843000 0.3336000       7.161000      0.3661000      0.6824000      0.4953000
  1 1 1       6  -10   32 o    3.375000      0.4618000       2.872000 0.7098000       3.877000      0.5909000      -1.005000      0.9236000
  1 1 1       6  -10   33 o    4.677000      0.3538000       4.789000 0.4820000       4.565000      0.5179000      0.2241000      0.7075000
  1 1 1       6  -10   34 o    1.871000      0.4852000       2.521000 0.7685000       1.221000      0.5925000       1.299000      0.9704000
  1 1 1       6   -9    0 o    13.68000      0.2022000       13.60000 0.2836000       13.76000      0.2883000     -0.1616000      0.4044000
  1 1 1       6   -9    1 o    3.521000      0.2085000       3.350000 0.2926000       3.693000      0.2970000     -0.3430000      0.4169000
  1 1 1       6   -9    2 o    9.116000      0.1659000       9.091000 0.2271000       9.140000      0.2420000     -0.4896000E-01  0.3318000
  1 1 1       6   -9    3 o    6.150000      0.1729000       6.354000 0.2370000       5.945000      0.2517000      0.4091000      0.3457000
  1 1 1       6   -9    4 o    15.88000      0.2827000       15.67000 0.3314000       16.09000      0.4582000     -0.4207000      0.5655000
  1 1 1       6   -9    5 o    9.859000      0.2172000       9.683000 0.2898000       10.04000      0.3236000     -0.3524000      0.4344000
  1 1 1       6   -9    6 o    5.655000      0.2797000       5.733000 0.4278000       5.577000      0.3604000      0.1557000      0.5594000
  1 1 1       6   -9    7 o    4.855000      0.3691000       5.085000 0.5786000       4.625000      0.4585000      0.4601000      0.7383000
  1 1 1       6   -9    8 o    2.269000      0.7246000       2.974000 1.253000       1.564000      0.7284000       1.410000       1.449000
  1 1 1       6   -9    9 o    7.345000      0.6205000                  ?       ?   7.345000      0.6205000                  ?              ?
  1 1 1       6   -9   11 o    4.700000       1.150000       7.303000 2.086000       2.097000      0.9694000       5.206000       2.300000
  1 1 1       6   -9   12 o    5.866000      0.7687000                  ?       ?   5.866000      0.7687000                  ?              ?
  1 1 1       6   -9   13 o    6.466000      0.5033000       6.673000 0.8850000       6.259000      0.4795000      0.4136000       1.007000
  1 1 1       6   -9   14 f    9.110000      0.3017000       8.769000 0.4804000       9.452000      0.3652000     -0.6832000      0.6034000
  1 1 1       6   -9   15 o    5.081000      0.2531000       5.135000 0.3933000       5.027000      0.3186000      0.1079000      0.5062000
  1 1 1       6   -9   16 o    5.265000      0.2108000       5.077000 0.3124000       5.454000      0.2830000     -0.3777000      0.4216000
  1 1 1       6   -9   17 o    4.442000      0.1620000       4.095000 0.2512000       4.788000      0.2047000     -0.6930000      0.3241000
  1 1 1       6   -9   18 o    3.868000      0.1854000       3.608000 0.2835000       4.128000      0.2390000     -0.5201000      0.3708000
  1 1 1       6   -9   19 o    4.547000      0.1683000       4.477000 0.2385000       4.617000      0.2377000     -0.1400000      0.3367000
  1 1 1       6   -9   20 o    10.17000      0.1729000       10.22000 0.2471000       10.11000      0.2419000      0.1068000      0.3458000
  1 1 1       6   -9   21 o    10.35000      0.1809000       10.40000 0.2603000       10.30000      0.2511000      0.9697000E-01  0.3617000
  1 1 1       6   -9   22 o    11.69000      0.1918000       11.68000 0.2747000       11.69000      0.2676000     -0.1747000E-02  0.3835000
  1 1 1       6   -9   23 o    5.149000      0.2055000       5.299000 0.2761000       4.998000      0.3044000      0.3016000      0.4110000
  1 1 1       6   -9   24 o    9.560000      0.1863000       9.769000 0.2654000       9.352000      0.2616000      0.4171000      0.3726000
  1 1 1       6   -9   25 o    6.440000      0.1992000       6.402000 0.2647000       6.477000      0.2977000     -0.7507000E-01  0.3983000
  1 1 1       6   -9   26 o    5.936000      0.2195000       6.426000 0.2776000       5.446000      0.3402000      0.9800000      0.4390000
  1 1 1       6   -9   27 o    3.174000      0.3847000       3.509000 0.4269000       2.838000      0.6400000      0.6711000      0.7693000
  1 1 1       6   -9   28 o    5.183000      0.2579000       5.164000 0.3475000       5.201000      0.3811000     -0.3698000E-01  0.5157000
  1 1 1       6   -9   29 o    3.811000      0.3566000       3.906000 0.4582000       3.715000      0.5467000      0.1909000      0.7133000
  1 1 1       6   -9   30 o    1.925000      0.5106000       1.862000 0.6911000       1.987000      0.7517000     -0.1250000       1.021000
  1 1 1       6   -9   31 o    5.028000      0.3125000       5.180000 0.4052000       4.876000      0.4759000      0.3038000      0.6250000
  1 1 1       6   -9   32 o    6.032000      0.2867000       6.419000 0.3739000       5.646000      0.4347000      0.7728000      0.5733000
  1 1 1       6   -9   33 o    5.818000      0.3076000       6.247000 0.4183000       5.390000      0.4511000      0.8564000      0.6152000
  1 1 1       6   -9   34 o    2.202000      0.4995000       2.890000 0.7194000       1.515000      0.6932000       1.375000      0.9990000
  1 1 1       6   -9   35 o    1.356000      0.6386000       1.356000 0.6386000                  ?              ?              ?              ?
  1 1 1       6   -8    0 o    4.728000      0.1574000       4.634000 0.2185000       4.822000      0.2265000     -0.1883000      0.3148000
  1 1 1       6   -8    1 o    14.27000      0.2075000       14.16000 0.2897000       14.39000      0.2973000     -0.2344000      0.4151000
  1 1 1       6   -8    2 o    5.111000      0.1606000       5.156000 0.2107000       5.066000      0.2423000      0.9006000E-01  0.3211000
  1 1 1       6   -8    3 o    15.10000      0.3047000       15.25000 0.4350000       14.96000      0.4268000      0.2811000      0.6094000
  1 1 1       6   -8    4 o    12.25000      0.2576000       12.29000 0.3668000       12.20000      0.3618000      0.8967000E-01  0.5152000
  1 1 1       6   -8    5 f    22.03000      0.4302000       22.11000 0.6133000       21.94000      0.6033000      0.1722000      0.8603000
  1 1 1       6   -8    6 o    7.112000      0.2366000       7.328000 0.3588000       6.895000      0.3085000      0.4328000      0.4731000
  1 1 1       6   -8    7 o    21.80000      0.4544000       21.80000 0.4544000                  ?              ?              ?              ?
  1 1 1       6   -8    8 o    11.65000      0.3803000       11.61000 0.6661000       11.70000      0.3671000     -0.8660000E-01  0.7606000
  1 1 1       6   -8    9 o    6.531000      0.4258000                  ?       ?   6.531000      0.4258000                  ?              ?
  1 1 1       6   -8   10 o    8.964000      0.2044000       8.624000 0.2864000       9.305000      0.2917000     -0.6819000      0.4088000
  1 1 1       6   -8   11 o    14.87000      0.2585000       14.65000 0.3945000       15.08000      0.3341000     -0.4342000      0.5170000
  1 1 1       6   -8   12 o    7.284000      0.1666000       7.318000 0.2498000       7.249000      0.2205000      0.6879000E-01  0.3333000
  1 1 1       6   -8   13 o    8.148000      0.1684000       7.742000 0.2545000       8.554000      0.2204000     -0.8119000      0.3367000
  1 1 1       6   -8   14 o    10.68000      0.1691000       10.50000 0.2438000       10.86000      0.2345000     -0.3510000      0.3383000
  1 1 1       6   -8   15 o    7.012000      0.1477000       6.931000 0.2209000       7.093000      0.1961000     -0.1622000      0.2954000
  1 1 1       6   -8   16 o    2.668000      0.2140000       2.870000 0.3002000       2.467000      0.3049000      0.4024000      0.4279000
  1 1 1       6   -8   17 o    4.309000      0.1509000       4.457000 0.2238000       4.162000      0.2025000      0.2951000      0.3018000
  1 1 1       6   -8   18 o    4.497000      0.1897000       4.530000 0.2548000       4.463000      0.2812000      0.6717000E-01  0.3794000
  1 1 1       6   -8   19 o    3.732000      0.2302000       3.275000 0.3249000       4.189000      0.3261000     -0.9137000      0.4603000
  1 1 1       6   -8   20 o    7.700000      0.2022000       7.244000 0.2701000       8.157000      0.3008000     -0.9125000      0.4043000
  1 1 1       6   -8   21 o    9.223000      0.2221000       9.409000 0.3041000       9.036000      0.3239000      0.3726000      0.4443000
  1 1 1       6   -8   22 o    5.295000      0.1919000       5.451000 0.2522000       5.140000      0.2894000      0.3116000      0.3839000
  1 1 1       6   -8   23 o    14.38000      0.2210000       14.42000 0.3146000       14.35000      0.3106000      0.7031000E-01  0.4421000
  1 1 1       6   -8   24 o    11.95000      0.2326000       12.01000 0.3703000       11.88000      0.2816000      0.1298000      0.4652000
  1 1 1       6   -8   25 o    1.382000      0.4035000       1.066000 0.4865000       1.698000      0.6439000     -0.6318000      0.8070000
  1 1 1       6   -8   26 o    5.684000      0.2157000       5.680000 0.2818000       5.688000      0.3267000     -0.8460000E-02  0.4314000
  1 1 1       6   -8   27 o    5.707000      0.2417000       6.071000 0.2990000       5.343000      0.3798000      0.7275000      0.4834000
  1 1 1       6   -8   28 o    1.326000      0.4209000       1.188000 0.5453000       1.464000      0.6414000     -0.2755000      0.8418000
  1 1 1       6   -8   29 o    3.020000      0.4186000       2.393000 0.6370000       3.646000      0.5434000      -1.253000      0.8373000
  1 1 1       6   -8   30 o    2.200000      0.5112000       2.067000 0.7013000       2.333000      0.7439000     -0.2663000       1.022000
  1 1 1       6   -8   31 f    5.872000      0.2818000       6.148000 0.3763000       5.597000      0.4196000      0.5510000      0.5636000
  1 1 1       6   -8   32 o    3.550000      0.4566000       2.858000 0.7185000       4.242000      0.5638000      -1.384000      0.9133000
  1 1 1       6   -8   33 o    4.312000      0.3856000       3.994000 0.5773000       4.629000      0.5114000     -0.6345000      0.7712000
  1 1 1       6   -8   34 o    2.881000      0.5412000       2.879000 0.7306000       2.882000      0.7987000     -0.3537000E-02   1.082000
  1 1 1       6   -8   35 o    2.070000      0.5537000       1.749000 0.7351000       2.392000      0.8282000     -0.6432000       1.107000
  1 1 1       6   -7    0 o    23.43000      0.4550000       23.74000 0.6503000       23.13000      0.6365000      0.6034000      0.9099000
  1 1 1       6   -7    1 o    14.90000      0.3031000       14.58000 0.4196000       15.22000      0.4375000     -0.6372000      0.6062000
  1 1 1       6   -7    2 o    4.137000      0.1395000       4.228000 0.1939000       4.046000      0.2005000      0.1825000      0.2789000
  1 1 1       6   -7    3 o    25.58000      0.3486000       25.43000 0.4893000       25.73000      0.4967000     -0.3016000      0.6972000
  1 1 1       6   -7    4 o    15.73000      0.2293000       15.73000 0.3179000       15.74000      0.3305000     -0.6001000E-02  0.4586000
  1 1 1       6   -7    5 o    8.368000      0.2125000       8.401000 0.3079000       8.335000      0.2928000      0.6638000E-01  0.4249000
  1 1 1       6   -7    6 o    9.315000      0.6135000       10.17000 0.4478000       8.462000       1.142000       1.707000       1.227000
  1 1 1       6   -7    7 o    4.914000      0.7148000       4.914000 0.7148000                  ?              ?              ?              ?
  1 1 1       6   -7    8 o    4.613000       1.405000                  ?       ?   4.613000       1.405000                  ?              ?
  1 1 1       6   -7    9 o    17.08000      0.3597000       16.28000 0.4627000       17.89000      0.5507000      -1.610000      0.7193000
  1 1 1       6   -7   10 o    6.788000      0.1954000       6.540000 0.2547000       7.036000      0.2964000     -0.4970000      0.3908000
  1 1 1       6   -7   11 o    11.17000      0.2288000       11.00000 0.3179000       11.33000      0.3291000     -0.3311000      0.4576000
  1 1 1       6   -7   12 o    3.673000      0.1873000       3.840000 0.2781000       3.507000      0.2509000      0.3329000      0.3745000
  1 1 1       6   -7   13 o    3.398000      0.2253000       3.359000 0.3522000       3.437000      0.2811000     -0.7725000E-01  0.4506000
  1 1 1       6   -7   14 o    7.586000      0.1996000       7.625000 0.2956000       7.548000      0.2684000      0.7742000E-01  0.3993000
  1 1 1       6   -7   15 o    6.794000      0.2066000       6.708000 0.3126000       6.879000      0.2703000     -0.1718000      0.4133000
  1 1 1       6   -7   16 o    1.391000      0.4000000       1.637000 0.6291000       1.145000      0.4942000      0.4913000      0.8000000
  1 1 1       6   -7   17 o    5.493000      0.1383000       5.334000 0.2011000       5.651000      0.1901000     -0.3168000      0.2767000
  1 1 1       6   -7   18 o    11.14000      0.1745000       11.14000 0.2493000       11.15000      0.2442000     -0.6725000E-02  0.3489000
  1 1 1       6   -7   19 o    11.55000      0.1809000       11.51000 0.2574000       11.59000      0.2542000     -0.8025000E-01  0.3618000
  1 1 1       6   -7   20 o    7.408000      0.1602000       7.173000 0.2246000       7.643000      0.2285000     -0.4706000      0.3204000
  1 1 1       6   -7   21 o    4.119000      0.2583000       4.119000 0.3165000       4.119000      0.4083000      0.7858000E-03  0.5166000
  1 1 1       6   -7   22 o    9.431000      0.2348000       9.593000 0.3212000       9.269000      0.3425000      0.3242000      0.4695000
  1 1 1       6   -7   23 o    24.25000      0.4715000       24.56000 0.6723000       23.95000      0.6612000      0.6099000      0.9429000
  1 1 1       6   -7   24 o    5.870000      0.1928000       5.750000 0.2602000       5.990000      0.2846000     -0.2399000      0.3856000
  1 1 1       6   -7   25 o    1.387000      0.4052000       1.390000 0.5616000       1.383000      0.5844000      0.6893000E-02  0.8105000
  1 1 1       6   -7   26 o    7.858000      0.1990000       7.804000 0.2794000       7.911000      0.2833000     -0.1069000      0.3979000
  1 1 1       6   -7   27 o    6.761000      0.2109000       6.809000 0.2793000       6.714000      0.3161000      0.9470000E-01  0.4218000
  1 1 1       6   -7   28 f    2.288000      0.4227000       2.981000 0.5231000       1.595000      0.6641000       1.386000      0.8454000
  1 1 1       6   -7   29 o    4.022000      0.3337000       4.102000 0.4379000       3.942000      0.5038000      0.1606000      0.6675000
  1 1 1       6   -7   30 o    2.027000      0.4319000       2.803000 0.6262000       1.251000      0.5949000       1.553000      0.8637000
  1 1 1       6   -7   31 o    5.329000      0.2942000       5.279000 0.3987000       5.380000      0.4327000     -0.1007000      0.5883000
  1 1 1       6   -7   32 o    6.620000      0.2676000       6.608000 0.3722000       6.632000      0.3848000     -0.2406000E-01  0.5353000
  1 1 1       6   -7   33 o    4.493000      0.3686000       4.612000 0.4923000       4.374000      0.5486000      0.2378000      0.7371000
  1 1 1       6   -7   34 o    1.674000      0.4975000       1.944000 0.7571000       1.403000      0.6458000      0.5414000      0.9951000
  1 1 1       6   -7   35 o    1.693000      0.4913000       2.173000 0.7879000       1.212000      0.5872000      0.9615000      0.9827000
  1 1 1       6   -7   36 o    2.865000      0.5426000       3.327000 0.7112000       2.403000      0.8197000      0.9242000       1.085000
  1 1 1       6   -6    0 o    9.726000      0.1588000       9.768000 0.2256000       9.685000      0.2236000      0.8293000E-01  0.3177000
  1 1 1       6   -6    1 o    19.40000      0.2684000       19.45000 0.3799000       19.35000      0.3791000      0.9610000E-01  0.5367000
  1 1 1       6   -6    2 o    21.28000      0.4119000       21.11000 0.5777000       21.44000      0.5873000     -0.3287000      0.8238000
  1 1 1       6   -6    3 o    14.09000      0.2876000       14.26000 0.4071000       13.91000      0.4063000      0.3550000      0.5751000
  1 1 1       6   -6    4 o    4.955000      0.2270000       4.925000 0.2895000       4.985000      0.3497000     -0.5969000E-01  0.4540000
  1 1 1       6   -6    5 o    5.634000      0.2067000       5.639000 0.3453000       5.629000      0.2273000      0.9730000E-02  0.4134000
  1 1 1       6   -6    6 o    1.585000      0.3848000       1.586000 0.5583000       1.584000      0.5297000      0.1523000E-02  0.7696000
  1 1 1       6   -6    7 o    11.22000      0.2253000       11.11000 0.2994000       11.34000      0.3366000     -0.2243000      0.4505000
  1 1 1       6   -6    8 o    7.142000      0.3847000       6.227000 0.6921000       8.056000      0.3363000      -1.828000      0.7694000
  1 1 1       6   -6    9 o    6.235000      0.2166000       6.198000 0.2876000       6.272000      0.3240000     -0.7479000E-01  0.4332000
  1 1 1       6   -6   10 o    4.333000      0.1832000       4.366000 0.2445000       4.299000      0.2731000      0.6650000E-01  0.3665000
  1 1 1       6   -6   11 o    10.33000      0.1952000       10.33000 0.3005000       10.32000      0.2491000      0.1383000E-01  0.3904000
  1 1 1       6   -6   12 o    5.178000      0.1488000       5.099000 0.2294000       5.257000      0.1895000     -0.1585000      0.2976000
  1 1 1       6   -6   13 o    9.380000      0.1504000       9.207000 0.2164000       9.553000      0.2090000     -0.3468000      0.3008000
  1 1 1       6   -6   14 f    7.208000      0.1308000       7.169000 0.1885000       7.248000      0.1814000     -0.7882000E-01  0.2616000
  1 1 1       6   -6   15 o    8.784000      0.1447000       8.901000 0.2103000       8.667000      0.1990000      0.2340000      0.2895000
  1 1 1       6   -6   16 o    8.499000      0.1438000       8.524000 0.2053000       8.474000      0.2015000      0.5017000E-01  0.2876000
  1 1 1       6   -6   17 o    2.588000      0.2192000       2.366000 0.3241000       2.810000      0.2953000     -0.4440000      0.4385000
  1 1 1       6   -6   18 o    14.81000      0.3102000       15.12000 0.4522000       14.49000      0.4248000      0.6273000      0.6205000
  1 1 1       6   -6   19 o    7.393000      0.2450000       7.441000 0.3723000       7.345000      0.3187000      0.9556000E-01  0.4901000
  1 1 1       6   -6   20 o    1.764000      0.4744000       2.199000 0.7444000       1.329000      0.5883000      0.8703000      0.9488000
  1 1 1       6   -6   21 o    5.594000      0.1760000       5.417000 0.2474000       5.770000      0.2505000     -0.3536000      0.3521000
  1 1 1       6   -6   22 o    8.879000      0.1742000       9.011000 0.2460000       8.747000      0.2467000      0.2636000      0.3484000
  1 1 1       6   -6   23 o    10.13000      0.2443000       10.03000 0.3330000       10.22000      0.3575000     -0.1918000      0.4886000
  1 1 1       6   -6   24 o    10.33000      0.2526000       10.11000 0.3381000       10.54000      0.3754000     -0.4248000      0.5052000
  1 1 1       6   -6   25 o    8.163000      0.2474000       8.175000 0.3209000       8.150000      0.3766000      0.2443000E-01  0.4948000
  1 1 1       6   -6   26 o    8.985000      0.1942000       8.608000 0.2710000       9.362000      0.2783000     -0.7542000      0.3885000
  1 1 1       6   -6   27 o    4.258000      0.2830000       3.581000 0.4321000       4.935000      0.3657000      -1.355000      0.5661000
  1 1 1       6   -6   28 o    1.408000      0.4312000       1.238000 0.5606000       1.579000      0.6554000     -0.3413000      0.8624000
  1 1 1       6   -6   29 o    4.578000      0.2992000       4.642000 0.4030000       4.515000      0.4423000      0.1277000      0.5983000
  1 1 1       6   -6   30 o    3.154000      0.4411000       2.836000 0.6330000       3.473000      0.6144000     -0.6369000      0.8822000
  1 1 1       6   -6   31 o    2.243000      0.5197000       2.465000 0.7089000       2.022000      0.7602000      0.4425000       1.039000
  1 1 1       6   -6   32 o    2.414000      0.5287000       2.100000 0.7247000       2.727000      0.7700000     -0.6269000       1.057000
  1 1 1       6   -6   33 o    2.384000      0.5434000       2.090000 0.7520000       2.677000      0.7847000     -0.5876000       1.087000
  1 1 1       6   -6   34 o    2.195000      0.5170000       2.769000 0.7574000       1.620000      0.7039000       1.149000       1.034000
  1 1 1       6   -6   35 o    2.254000      0.4814000       3.120000 0.7122000       1.387000      0.6478000       1.733000      0.9628000
  1 1 1       6   -6   36 o    2.031000      0.5511000       2.071000 0.7767000       1.992000      0.7819000      0.7827000E-01   1.102000
  1 1 1       6   -5    0 o    15.03000      0.3028000       15.40000 0.4383000       14.65000      0.4179000      0.7581000      0.6056000
  1 1 1       6   -5    1 o    16.93000      0.3338000       16.73000 0.4673000       17.14000      0.4768000     -0.4101000      0.6676000
  1 1 1       6   -5    2 o    13.72000      0.1967000       13.74000 0.2781000       13.71000      0.2782000      0.2783000E-01  0.3933000
  1 1 1       6   -5    3 o    10.31000      0.1557000       10.29000 0.2186000       10.34000      0.2218000     -0.5126000E-01  0.3114000
  1 1 1       6   -5    4 o    4.836000      0.1320000       4.939000 0.1795000       4.732000      0.1935000      0.2064000      0.2640000
  1 1 1       6   -5    5 o    3.783000      0.1610000       4.115000 0.1994000       3.451000      0.2528000      0.6637000      0.3220000
  1 1 1       6   -5    6 o    27.12000      0.3769000       27.19000 0.5239000       27.05000      0.5419000      0.1387000      0.7538000
  1 1 1       6   -5    7 o    19.08000      0.3761000       19.32000 0.5450000       18.84000      0.5186000      0.4814000      0.7523000
  1 1 1       6   -5    8 o    21.00000      0.4211000       20.51000 0.5992000       21.48000      0.5918000     -0.9670000      0.8422000
  1 1 1       6   -5    9 o    21.61000      0.3659000       22.23000 0.6029000       20.98000      0.4147000       1.246000      0.7318000
  1 1 1       6   -5   10 o    1.285000      0.2822000      0.9407000 0.3889000       1.630000      0.4090000     -0.6890000      0.5644000
  1 1 1       6   -5   11 o    9.082000      0.1620000       8.999000 0.2452000       9.164000      0.2118000     -0.1649000      0.3241000
  1 1 1       6   -5   12 o    14.79000      0.2094000       14.77000 0.3002000       14.81000      0.2919000     -0.4182000E-01  0.4188000
  1 1 1       6   -5   13 o    11.52000      0.1680000       11.52000 0.2399000       11.51000      0.2353000      0.1241000E-01  0.3361000
  1 1 1       6   -5   14 o    4.471000      0.1240000       4.486000 0.1822000       4.456000      0.1683000      0.3009000E-01  0.2480000
  1 1 1       6   -5   15 o    4.587000      0.1297000       4.729000 0.1829000       4.445000      0.1840000      0.2839000      0.2594000
  1 1 1       6   -5   16 o    14.35000      0.2050000       14.33000 0.2903000       14.37000      0.2895000     -0.3687000E-01  0.4100000
  1 1 1       6   -5   17 o    7.403000      0.1791000       7.738000 0.2024000       7.067000      0.2956000      0.6712000      0.3583000
  1 1 1       6   -5   18 o    8.140000      0.1501000       7.916000 0.2088000       8.365000      0.2157000     -0.4492000      0.3002000
  1 1 1       6   -5   19 f    5.523000      0.1612000       5.358000 0.2196000       5.689000      0.2360000     -0.3312000      0.3224000
  1 1 1       6   -5   20 o    9.201000      0.2557000       9.467000 0.3796000       8.935000      0.3426000      0.5311000      0.5114000
  1 1 1       6   -5   21 o    8.194000      0.2576000       8.002000 0.3810000       8.387000      0.3469000     -0.3853000      0.5153000
  1 1 1       6   -5   22 o    7.843000      0.2137000       7.749000 0.2335000       7.936000      0.3580000     -0.1868000      0.4274000
  1 1 1       6   -5   23 o    4.132000      0.2339000       4.052000 0.3197000       4.212000      0.3416000     -0.1598000      0.4679000
  1 1 1       6   -5   24 o    10.26000      0.1900000       10.19000 0.2682000       10.33000      0.2693000     -0.1407000      0.3801000
  1 1 1       6   -5   25 o    6.138000      0.2573000       5.842000 0.3264000       6.433000      0.3978000     -0.5905000      0.5146000
  1 1 1       6   -5   26 o    10.80000      0.2724000       10.48000 0.3625000       11.12000      0.4067000     -0.6373000      0.5447000
  1 1 1       6   -5   27 o    3.961000      0.3044000       4.159000 0.3909000       3.762000      0.4666000      0.3963000      0.6087000
  1 1 1       6   -5   28 f    8.939000      0.2092000       8.814000 0.2877000       9.064000      0.3036000     -0.2501000      0.4183000
  1 1 1       6   -5   29 o    5.317000      0.2658000       5.382000 0.3594000       5.252000      0.3916000      0.1299000      0.5315000
  1 1 1       6   -5   30 o    9.099000      0.2192000       9.135000 0.3052000       9.062000      0.3146000      0.7219000E-01  0.4384000
  1 1 1       6   -5   31 o    6.432000      0.2614000       6.709000 0.3522000       6.155000      0.3864000      0.5539000      0.5228000
  1 1 1       6   -5   32 o    3.530000      0.4207000       3.556000 0.5832000       3.503000      0.6064000      0.5280000E-01  0.8413000
  1 1 1       6   -5   33 o    3.222000      0.4724000       3.929000 0.5549000       2.515000      0.7646000       1.414000      0.9448000
  1 1 1       6   -5   34 f    3.523000      0.4579000       3.692000 0.6198000       3.355000      0.6741000      0.3365000      0.9157000
  1 1 1       6   -5   35 o    2.287000      0.5596000       2.367000 0.7931000       2.206000      0.7898000      0.1614000       1.119000
  1 1 1       6   -5   36 o    2.259000      0.7717000       2.259000 0.7717000                  ?              ?              ?              ?
  1 1 1       6   -4    0 o    12.34000      0.1839000       12.33000 0.2601000       12.35000      0.2601000     -0.1873000E-01  0.3679000
  1 1 1       6   -4    1 o    16.82000      0.2351000       16.55000 0.3274000       17.09000      0.3376000     -0.5439000      0.4702000
  1 1 1       6   -4    2 o    25.96000      0.3515000       25.81000 0.4940000       26.12000      0.5003000     -0.3192000      0.7031000
  1 1 1       6   -4    3 o    14.07000      0.1979000       14.22000 0.2823000       13.92000      0.2775000      0.3099000      0.3958000
  1 1 1       6   -4    4 o    41.63000      0.5571000       41.88000 0.7925000       41.38000      0.7832000      0.5083000       1.114000
  1 1 1       6   -4    5 o    18.55000      0.2543000       18.68000 0.3611000       18.41000      0.3583000      0.2788000      0.5087000
  1 1 1       6   -4    6 o    17.77000      0.3008000       17.32000 0.3397000       18.21000      0.4966000     -0.8917000      0.6017000
  1 1 1       6   -4    7 o    19.59000      0.2875000       19.32000 0.3812000       19.87000      0.4305000     -0.5441000      0.5750000
  1 1 1       6   -4    8 o    4.018000      0.6066000       4.018000 0.6066000                  ?              ?              ?              ?
  1 1 1       6   -4    9 o    5.882000      0.1559000       6.254000 0.2182000       5.509000      0.2226000      0.7449000      0.3117000
  1 1 1       6   -4   10 o    23.88000      0.4630000                  ?       ?   23.88000      0.4630000                  ?              ?
  1 1 1       6   -4   11 o    10.59000      0.1671000       10.65000 0.2500000       10.54000      0.2218000      0.1040000      0.3342000
  1 1 1       6   -4   12 o    9.485000      0.1448000       9.560000 0.2102000       9.410000      0.1992000      0.1501000      0.2896000
  1 1 1       6   -4   13 o    6.098000      0.1305000       5.906000 0.2062000       6.290000      0.1600000     -0.3843000      0.2610000
  1 1 1       6   -4   14 o    8.371000      0.1332000       8.307000 0.1879000       8.434000      0.1889000     -0.1269000      0.2665000
  1 1 1       6   -4   15 o    4.742000      0.1280000       4.810000 0.1805000       4.675000      0.1816000      0.1347000      0.2560000
  1 1 1       6   -4   16 o    14.63000      0.2084000       14.69000 0.2962000       14.57000      0.2934000      0.1216000      0.4169000
  1 1 1       6   -4   17 o    3.956000      0.1654000       4.010000 0.2186000       3.902000      0.2482000      0.1081000      0.3308000
  1 1 1       6   -4   18 o    8.759000      0.1547000       8.747000 0.2173000       8.770000      0.2203000     -0.2263000E-01  0.3095000
  1 1 1       6   -4   19 o    4.829000      0.1691000       4.990000 0.2274000       4.669000      0.2503000      0.3206000      0.3382000
  1 1 1       6   -4   20 o    5.050000      0.1717000       5.121000 0.2360000       4.979000      0.2494000      0.1423000      0.3433000
  1 1 1       6   -4   21 o    5.883000      0.2167000       6.016000 0.2369000       5.751000      0.3630000      0.2657000      0.4334000
  1 1 1       6   -4   22 o    7.129000      0.2639000       6.780000 0.4028000       7.479000      0.3410000     -0.6989000      0.5277000
  1 1 1       6   -4   23 o    1.535000      0.4695000       1.431000 0.6591000       1.640000      0.6690000     -0.2088000      0.9391000
  1 1 1       6   -4   24 f    15.08000      0.2303000       15.28000 0.3281000       14.87000      0.3232000      0.4080000      0.4605000
  1 1 1       6   -4   25 o    7.109000      0.1936000       6.995000 0.2705000       7.224000      0.2770000     -0.2290000      0.3872000
  1 1 1       6   -4   26 f    4.922000      0.3363000       5.100000 0.3805000       4.745000      0.5546000      0.3548000      0.6726000
  1 1 1       6   -4   27 o    2.880000      0.5147000       3.193000 0.5665000       2.568000      0.8596000      0.6249000       1.029000
  1 1 1       6   -4   28 o    3.128000      0.3950000       3.475000 0.4661000       2.782000      0.6379000      0.6930000      0.7900000
  1 1 1       6   -4   29 o    5.956000      0.2459000       5.899000 0.3307000       6.013000      0.3640000     -0.1139000      0.4918000
  1 1 1       6   -4   30 o    10.88000      0.2220000       10.79000 0.3115000       10.96000      0.3164000     -0.1641000      0.4440000
  1 1 1       6   -4   31 o    6.448000      0.2557000       6.530000 0.3552000       6.366000      0.3678000      0.1642000      0.5113000
  1 1 1       6   -4   32 o    2.222000      0.5250000       2.310000 0.7358000       2.134000      0.7490000      0.1764000       1.050000
  1 1 1       6   -4   33 o    2.626000      0.5419000       2.409000 0.7734000       2.843000      0.7593000     -0.4336000       1.084000
  1 1 1       6   -4   34 o    4.907000      0.3482000       4.672000 0.5036000       5.142000      0.4809000     -0.4708000      0.6963000
  1 1 1       6   -4   35 o    3.397000      0.4832000       3.240000 0.7215000       3.554000      0.6429000     -0.3141000      0.9664000
  1 1 1       6   -4   36 o    4.409000      0.5243000       4.409000 0.5243000                  ?              ?              ?              ?
  1 1 1       6   -4   37 o    3.196000      0.6563000       2.350000 0.9549000       4.041000      0.9005000      -1.691000       1.313000
  1 1 1       6   -3    0 o    11.01000      0.1682000       11.20000 0.2401000       10.82000      0.2355000      0.3840000      0.3363000
  1 1 1       6   -3    1 o    27.58000      0.3733000       27.59000 0.5282000       27.56000      0.5276000      0.3769000E-01  0.7466000
  1 1 1       6   -3    2 o    4.708000      0.1726000       4.756000 0.2494000       4.660000      0.2388000      0.9610000E-01  0.3453000
  1 1 1       6   -3    3 o    23.55000      0.3191000       23.61000 0.4523000       23.49000      0.4503000      0.1166000      0.6382000
  1 1 1       6   -3    4 o    21.19000      0.2872000       21.26000 0.4075000       21.11000      0.4048000      0.1535000      0.5744000
  1 1 1       6   -3    5 o    21.21000      0.2870000       21.14000 0.4042000       21.28000      0.4075000     -0.1441000      0.5739000
  1 1 1       6   -3    6 o    16.98000      0.2357000       16.67000 0.3240000       17.30000      0.3424000     -0.6334000      0.4714000
  1 1 1       6   -3    7 o    19.36000      0.4134000       19.80000 0.5516000       18.92000      0.6159000      0.8723000      0.8268000
  1 1 1       6   -3    8 o    11.39000      0.3722000       11.39000 0.3722000                  ?              ?              ?              ?
  1 1 1       6   -3    9 o    15.36000      0.3735000       14.99000 0.5923000       15.74000      0.4551000     -0.7500000      0.7469000
  1 1 1       6   -3   10 o    14.26000      0.2875000                  ?       ?   14.26000      0.2875000                  ?              ?
  1 1 1       6   -3   11 o    14.38000      0.2003000       14.07000 0.2805000       14.70000      0.2861000     -0.6245000      0.4007000
  1 1 1       6   -3   12 o    8.673000      0.1299000       8.587000 0.1844000       8.758000      0.1830000     -0.1713000      0.2598000
  1 1 1       6   -3   13 o    4.297000      0.1176000       4.012000 0.1780000       4.583000      0.1537000     -0.5705000      0.2352000
  1 1 1       6   -3   14 o    8.986000      0.1394000       8.828000 0.1944000       9.144000      0.1997000     -0.3159000      0.2787000
  1 1 1       6   -3   15 o   0.6475000      0.2206000      0.6921000 0.3248000      0.6029000      0.2987000      0.8927000E-01  0.4413000
  1 1 1       6   -3   16 o    3.924000      0.1544000       3.825000 0.2142000       4.022000      0.2225000     -0.1967000      0.3089000
  1 1 1       6   -3   17 o    6.823000      0.1399000       6.645000 0.1909000       7.001000      0.2045000     -0.3563000      0.2797000
  1 1 1       6   -3   18 o    10.82000      0.2047000       11.05000 0.3304000       10.60000      0.2418000      0.4538000      0.4094000
  1 1 1       6   -3   19 o    8.079000      0.2062000       8.177000 0.3478000       7.980000      0.2216000      0.1963000      0.4123000
  1 1 1       6   -3   20 o    9.452000      0.1688000       9.508000 0.2381000       9.395000      0.2395000      0.1136000      0.3377000
  1 1 1       6   -3   21 o    3.801000      0.2229000       3.690000 0.3117000       3.912000      0.3186000     -0.2223000      0.4457000
  1 1 1       6   -3   22 f    6.827000      0.1761000       6.803000 0.2488000       6.851000      0.2494000     -0.4803000E-01  0.3523000
  1 1 1       6   -3   23 o    5.227000      0.3056000       5.008000 0.4753000       5.446000      0.3844000     -0.4379000      0.6113000
  1 1 1       6   -3   24 o    17.93000      0.3732000       18.14000 0.5387000       17.72000      0.5166000      0.4176000      0.7464000
  1 1 1       6   -3   25 o    8.209000      0.1880000       8.330000 0.2643000       8.088000      0.2674000      0.2425000      0.3759000
  1 1 1       6   -3   26 o    8.128000      0.1887000       8.085000 0.2597000       8.171000      0.2739000     -0.8550000E-01  0.3775000
  1 1 1       6   -3   27 o    10.27000      0.2813000       10.76000 0.3754000       9.782000      0.4191000      0.9768000      0.5627000
  1 1 1       6   -3   28 o    2.646000      0.4288000       2.915000 0.5511000       2.377000      0.6571000      0.5380000      0.8577000
  1 1 1       6   -3   29 o    11.95000      0.2196000       11.73000 0.3083000       12.17000      0.3128000     -0.4373000      0.4392000
  1 1 1       6   -3   30 o    3.190000      0.4242000       3.435000 0.5414000       2.945000      0.6532000      0.4894000      0.8484000
  1 1 1       6   -3   31 o    3.897000      0.3808000       4.084000 0.5077000       3.710000      0.5676000      0.3737000      0.7615000
  1 1 1       6   -3   32 o    4.432000      0.3436000       4.451000 0.4885000       4.412000      0.4832000      0.3927000E-01  0.6871000
  1 1 1       6   -3   33 o    3.673000      0.4242000       3.965000 0.5583000       3.381000      0.6388000      0.5840000      0.8483000
  1 1 1       6   -3   34 o    3.181000      0.4949000       2.329000 0.8087000       4.032000      0.5709000      -1.703000      0.9899000
  1 1 1       6   -3   35 o    4.975000      0.3289000       5.112000 0.4801000       4.839000      0.4498000      0.2726000      0.6579000
  1 1 1       6   -3   36 o    1.699000      0.5111000       1.663000 0.7120000       1.735000      0.7334000     -0.7200000E-01   1.022000
  1 1 1       6   -3   37 o    2.814000      0.5200000       2.777000 0.7381000       2.852000      0.7327000     -0.7547000E-01   1.040000
  1 1 1       6   -2    0 o    11.50000      0.1722000       11.55000 0.2441000       11.45000      0.2429000      0.1014000      0.3443000
  1 1 1       6   -2    1 o    18.55000      0.3165000       18.92000 0.5227000       18.17000      0.3570000      0.7507000      0.6330000
  1 1 1       6   -2    2 o    17.48000      0.2414000       17.37000 0.3393000       17.58000      0.3435000     -0.2123000      0.4828000
  1 1 1       6   -2    3 o    4.173000      0.1140000       4.131000 0.1597000       4.216000      0.1629000     -0.8519000E-01  0.2281000
  1 1 1       6   -2    4 o    15.03000      0.2079000       15.00000 0.2934000       15.06000      0.2946000     -0.5491000E-01  0.4158000
  1 1 1       6   -2    5 f    12.25000      0.1714000       12.18000 0.2404000       12.31000      0.2444000     -0.1307000      0.3428000
  1 1 1       6   -2    6 o    10.33000      0.1476000       10.41000 0.2083000       10.25000      0.2092000      0.1504000      0.2952000
  1 1 1       6   -2    7 o    13.66000      0.2053000       13.86000 0.2766000       13.47000      0.3035000      0.3916000      0.4106000
  1 1 1       6   -2    8 o    13.17000      0.2621000       12.94000 0.3698000       13.40000      0.3716000     -0.4517000      0.5243000
  1 1 1       6   -2    9 o    13.94000      0.2369000       14.25000 0.3863000       13.64000      0.2742000      0.6098000      0.4738000
  1 1 1       6   -2   10 o    6.878000      0.2544000       6.465000 0.4368000       7.291000      0.2609000     -0.8253000      0.5088000
  1 1 1       6   -2   11 o    8.277000      0.1238000       8.278000 0.1780000       8.276000      0.1720000      0.1488000E-02  0.2475000
  1 1 1       6   -2   12 o    14.09000      0.1943000       14.08000 0.2753000       14.10000      0.2743000     -0.2413000E-01  0.3886000
  1 1 1       6   -2   13 o    10.52000      0.1526000       10.40000 0.2144000       10.63000      0.2174000     -0.2272000      0.3053000
  1 1 1       6   -2   14 o    3.114000      0.1463000       3.099000 0.1915000       3.129000      0.2213000     -0.2950000E-01  0.2927000
  1 1 1       6   -2   15 o    9.019000      0.1440000       8.961000 0.2022000       9.077000      0.2051000     -0.1156000      0.2880000
  1 1 1       6   -2   16 o    4.366000      0.1788000       4.585000 0.1967000       4.147000      0.2987000      0.4377000      0.3577000
  1 1 1       6   -2   17 o    5.840000      0.1401000       5.657000 0.1937000       6.024000      0.2024000     -0.3673000      0.2802000
  1 1 1       6   -2   18 o    10.63000      0.1692000       10.71000 0.2393000       10.54000      0.2393000      0.1707000      0.3384000
  1 1 1       6   -2   19 o    2.223000      0.3113000       2.267000 0.4003000       2.179000      0.4768000      0.8816000E-01  0.6226000
  1 1 1       6   -2   20 o    7.082000      0.1579000       7.230000 0.2230000       6.935000      0.2234000      0.2952000      0.3157000
  1 1 1       6   -2   21 o    8.158000      0.1659000       8.084000 0.2352000       8.231000      0.2340000     -0.1471000      0.3318000
  1 1 1       6   -2   22 o    3.277000      0.2709000       3.009000 0.4052000       3.545000      0.3595000     -0.5361000      0.5417000
  1 1 1       6   -2   23 o    3.162000      0.2922000       3.257000 0.3939000       3.067000      0.4319000      0.1900000      0.5845000
  1 1 1       6   -2   24 o    9.470000      0.2619000       9.650000 0.3837000       9.290000      0.3565000      0.3595000      0.5238000
  1 1 1       6   -2   25 o    17.04000      0.2535000       16.84000 0.3545000       17.25000      0.3625000     -0.4156000      0.5071000
  1 1 1       6   -2   26 o    11.60000      0.2032000       11.71000 0.2868000       11.49000      0.2879000      0.2193000      0.4063000
  1 1 1       6   -2   27 o    6.151000      0.3051000       6.005000 0.3743000       6.297000      0.4820000     -0.2916000      0.6103000
  1 1 1       6   -2   28 o    3.717000      0.4755000       4.018000 0.5197000       3.416000      0.7964000      0.6016000      0.9509000
  1 1 1       6   -2   29 o    2.683000      0.4475000       2.756000 0.6293000       2.609000      0.6365000      0.1463000      0.8950000
  1 1 1       6   -2   30 o    5.473000      0.2665000       5.791000 0.3614000       5.155000      0.3918000      0.6360000      0.5330000
  1 1 1       6   -2   31 o    2.493000      0.4889000       1.974000 0.7189000       3.012000      0.6629000      -1.038000      0.9779000
  1 1 1       6   -2   32 o    6.618000      0.2584000       6.918000 0.3462000       6.318000      0.3837000      0.5996000      0.5168000
  1 1 1       6   -2   33 o    2.826000      0.4879000       3.467000 0.6183000       2.184000      0.7549000       1.282000      0.9757000
  1 1 1       6   -2   34 o    3.892000      0.4018000       4.312000 0.5161000       3.471000      0.6161000      0.8410000      0.8037000
  1 1 1       6   -2   35 o    4.869000      0.3346000       4.709000 0.5018000       5.029000      0.4427000     -0.3201000      0.6692000
  1 1 1       6   -2   36 o    2.519000      0.5400000       2.432000 0.7741000       2.606000      0.7531000     -0.1745000       1.080000
  1 1 1       6   -2   37 o    2.060000      0.5320000       1.960000 0.7458000       2.160000      0.7590000     -0.1994000       1.064000
  1 1 1       6   -1    0 o    14.49000      0.2054000       14.28000 0.2875000       14.70000      0.2934000     -0.4264000      0.4108000
  1 1 1       6   -1    1 o    19.41000      0.2666000       19.51000 0.3791000       19.31000      0.3750000      0.2004000      0.5333000
  1 1 1       6   -1    2 o    27.12000      0.3660000       27.14000 0.5179000       27.10000      0.5172000      0.3473000E-01  0.7320000
  1 1 1       6   -1    3 o    6.478000      0.1388000       6.211000 0.1580000       6.746000      0.2284000     -0.5349000      0.2777000
  1 1 1       6   -1    4 o    7.186000      0.1157000       7.097000 0.1612000       7.275000      0.1659000     -0.1778000      0.2313000
  1 1 1       6   -1    5 o    7.933000      0.1467000       8.080000 0.2410000       7.785000      0.1672000      0.2957000      0.2933000
  1 1 1       6   -1    6 o    22.58000      0.3036000       22.57000 0.4289000       22.59000      0.4299000     -0.2187000E-01  0.6072000
  1 1 1       6   -1    7 o    19.28000      0.3736000       19.68000 0.5320000       18.88000      0.5247000      0.7959000      0.7472000
  1 1 1       6   -1    8 o    9.421000      0.2155000       9.639000 0.2758000       9.203000      0.3311000      0.4359000      0.4309000
  1 1 1       6   -1    9 o    31.97000      0.6044000       31.91000 0.8530000       32.04000      0.8564000     -0.1250000       1.209000
  1 1 1       6   -1   10 o    9.034000      0.1593000       9.075000 0.2609000       8.994000      0.1828000      0.8113000E-01  0.3185000
  1 1 1       6   -1   11 o    5.138000      0.1256000       4.947000 0.2138000       5.328000      0.1319000     -0.3809000      0.2512000
  1 1 1       6   -1   12 f    14.07000      0.2371000       13.70000 0.3823000       14.44000      0.2806000     -0.7412000      0.4742000
  1 1 1       6   -1   13 o    14.53000      0.2015000       14.46000 0.2833000       14.59000      0.2866000     -0.1360000      0.4030000
  1 1 1       6   -1   14 o    5.652000      0.1154000       5.631000 0.1604000       5.672000      0.1661000     -0.4175000E-01  0.2309000
  1 1 1       6   -1   15 f    5.860000      0.1439000       5.966000 0.2259000       5.753000      0.1784000      0.2122000      0.2879000
  1 1 1       6   -1   16 o    5.413000      0.1336000       5.573000 0.1835000       5.253000      0.1943000      0.3202000      0.2673000
  1 1 1       6   -1   17 o    2.385000      0.2429000       2.267000 0.3451000       2.503000      0.3421000     -0.2361000      0.4859000
  1 1 1       6   -1   18 o    5.171000      0.1514000       5.115000 0.2104000       5.226000      0.2179000     -0.1112000      0.3028000
  1 1 1       6   -1   19 o    4.151000      0.1815000       3.958000 0.2549000       4.344000      0.2584000     -0.3865000      0.3629000
  1 1 1       6   -1   20 o    4.365000      0.1820000       4.562000 0.2450000       4.168000      0.2691000      0.3943000      0.3639000
  1 1 1       6   -1   21 o    9.560000      0.1703000       9.670000 0.2433000       9.450000      0.2383000      0.2196000      0.3406000
  1 1 1       6   -1   22 o    3.049000      0.2787000       3.049000 0.3909000       3.050000      0.3973000     -0.8419000E-03  0.5574000
  1 1 1       6   -1   23 o    1.587000      0.4075000       1.623000 0.5779000       1.551000      0.5748000      0.7222000E-01  0.8151000
  1 1 1       6   -1   24 o    4.873000      0.3012000       4.805000 0.4559000       4.940000      0.3936000     -0.1347000      0.6023000
  1 1 1       6   -1   25 o    20.45000      0.2928000       20.55000 0.4153000       20.35000      0.4130000      0.1977000      0.5857000
  1 1 1       6   -1   26 o    7.400000      0.2256000       7.838000 0.3518000       6.962000      0.2826000      0.8765000      0.4513000
  1 1 1       6   -1   28 o    8.154000      0.2935000       8.245000 0.3838000       8.063000      0.4442000      0.1821000      0.5871000
  1 1 1       6   -1   29 o    2.866000      0.4245000       3.123000 0.5481000       2.610000      0.6483000      0.5128000      0.8490000
  1 1 1       6   -1   30 o    4.783000      0.2839000       4.780000 0.3899000       4.785000      0.4128000     -0.5116000E-02  0.5678000
  1 1 1       6   -1   31 o    5.107000      0.2872000       5.469000 0.3802000       4.745000      0.4305000      0.7240000      0.5744000
  1 1 1       6   -1   32 o    7.114000      0.2488000       7.019000 0.3503000       7.209000      0.3533000     -0.1894000      0.4976000
  1 1 1       6   -1   33 o    3.931000      0.3843000       4.426000 0.4803000       3.435000      0.6001000      0.9908000      0.7686000
  1 1 1       6   -1   34 o    1.883000      0.5166000       1.847000 0.7367000       1.919000      0.7246000     -0.7208000E-01   1.033000
  1 1 1       6   -1   35 o    4.945000      0.3195000       4.772000 0.4691000       5.119000      0.4339000     -0.3474000      0.6390000
  1 1 1       6   -1   36 o    1.431000      0.4564000       1.566000 0.6809000       1.297000      0.6080000      0.2689000      0.9128000
  1 1 1       6   -1   37 o    2.543000      0.4846000       3.278000 0.6427000       1.807000      0.7255000       1.471000      0.9693000
  1 1 1       6    0    0 o    16.45000      0.2290000       16.53000 0.3252000       16.38000      0.3225000      0.1487000      0.4580000
  1 1 1       6    0    1 o    4.757000      0.1069000       4.883000 0.1512000       4.630000      0.1512000      0.2532000      0.2139000
  1 1 1       6    0    2 o    16.16000      0.2227000       16.28000 0.3170000       16.04000      0.3128000      0.2402000      0.4453000
  1 1 1       6    0    3 o    20.10000      0.2733000       20.43000 0.3928000       19.77000      0.3799000      0.6636000      0.5465000
  1 1 1       6    0    4 o    3.611000      0.9335000E-01   3.650000 0.1321000       3.572000      0.1319000      0.7822000E-01  0.1867000
  1 1 1       6    0    5 o    16.44000      0.2761000       16.80000 0.4572000       16.07000      0.3095000      0.7317000      0.5521000
  1 1 1       6    0    6 o    9.936000      0.1954000       9.727000 0.2719000       10.15000      0.2808000     -0.4184000      0.3909000
  1 1 1       6    0    7 o    27.35000      0.4505000       27.74000 0.7423000       26.96000      0.5106000      0.7744000      0.9010000
  1 1 1       6    0    8 o    13.24000      0.2185000       12.91000 0.3498000       13.57000      0.2618000     -0.6602000      0.4369000
  1 1 1       6    0   10 o    13.17000      0.2184000       12.86000 0.3519000       13.49000      0.2586000     -0.6325000      0.4367000
  1 1 1       6    0   11 o    18.84000      0.3600000                  ?       ?   18.84000      0.3600000                  ?              ?
  1 1 1       6    0   12 o    1.843000      0.2305000       1.277000 0.4192000       2.408000      0.1919000      -1.131000      0.4611000
  1 1 1       6    0   13 o    9.298000      0.1702000       9.138000 0.2769000       9.458000      0.1981000     -0.3197000      0.3404000
  1 1 1       6    0   14 o    5.231000      0.1146000       5.275000 0.1600000       5.187000      0.1641000      0.8875000E-01  0.2291000
  1 1 1       6    0   15 o    9.546000      0.1805000       9.334000 0.2916000       9.758000      0.2127000     -0.4242000      0.3609000
  1 1 1       6    0   16 o    14.15000      0.2018000       14.16000 0.2852000       14.15000      0.2855000      0.7905000E-02  0.4035000
  1 1 1       6    0   17 o    3.868000      0.1560000       3.866000 0.2134000       3.870000      0.2276000     -0.3709000E-02  0.3120000
  1 1 1       6    0   18 o    2.973000      0.2105000       2.821000 0.3000000       3.126000      0.2953000     -0.3042000      0.4209000
  1 1 1       6    0   19 o    3.645000      0.1884000       3.495000 0.2652000       3.796000      0.2678000     -0.3017000      0.3769000
  1 1 1       6    0   20 o    2.772000      0.2665000       2.949000 0.3423000       2.595000      0.4086000      0.3543000      0.5330000
  1 1 1       6    0   21 o    3.326000      0.2398000       3.482000 0.3187000       3.169000      0.3584000      0.3126000      0.4796000
  1 1 1       6    0   22 o    4.172000      0.2072000       4.278000 0.2879000       4.065000      0.2979000      0.2127000      0.4143000
  1 1 1       6    0   23 o    7.502000      0.1756000       7.458000 0.2447000       7.545000      0.2518000     -0.8624000E-01  0.3511000
  1 1 1       6    0   24 o    7.231000      0.2481000       7.535000 0.3595000       6.927000      0.3419000      0.6077000      0.4961000
  1 1 1       6    0   25 o    7.274000      0.1871000       7.266000 0.2607000       7.281000      0.2684000     -0.1506000E-01  0.3741000
  1 1 1       6    0   26 o    7.073000      0.1932000       7.052000 0.2694000       7.093000      0.2771000     -0.4134000E-01  0.3864000
  1 1 1       6    0   27 o    3.236000      0.5038000       3.872000 0.5567000       2.599000      0.8398000       1.273000       1.008000
  1 1 1       6    0   28 o    12.94000      0.3130000       13.54000 0.4382000       12.35000      0.4471000       1.194000      0.6260000
  1 1 1       6    0   29 o    6.613000      0.2191000       6.658000 0.3070000       6.567000      0.3127000      0.9089000E-01  0.4382000
  1 1 1       6    0   30 o    9.032000      0.2146000       8.544000 0.3071000       9.520000      0.2998000     -0.9760000      0.4292000
  1 1 1       6    0   31 o    3.000000      0.4432000       2.835000 0.6587000       3.165000      0.5932000     -0.3297000      0.8865000
  1 1 1       6    0   32 o    7.457000      0.2406000       7.519000 0.3442000       7.396000      0.3363000      0.1225000      0.4812000
  1 1 1       6    0   33 o    2.979000      0.4788000       2.523000 0.7465000       3.435000      0.5999000     -0.9118000      0.9577000
  1 1 1       6    0   34 f    7.974000      0.2418000       7.961000 0.3474000       7.987000      0.3365000     -0.2590000E-01  0.4836000
  1 1 1       6    0   35 o    4.880000      0.3262000       4.851000 0.4724000       4.910000      0.4500000     -0.5895000E-01  0.6525000
  1 1 1       6    0   36 o    4.881000      0.3249000       5.070000 0.4458000       4.692000      0.4727000      0.3778000      0.6497000
  1 1 1       6    0   37 o    1.962000      0.7564000       1.962000 0.7564000                  ?              ?              ?              ?
  1 1 1       6    1    0 o    10.27000      0.1537000       10.32000 0.2179000       10.22000      0.2168000      0.9408000E-01  0.3074000
  1 1 1       6    1    1 f    8.489000      0.1325000       8.505000 0.1881000       8.473000      0.1866000      0.3285000E-01  0.2650000
  1 1 1       6    1    2 o    12.00000      0.1702000       12.11000 0.2426000       11.89000      0.2388000      0.2251000      0.3404000
  1 1 1       6    1    3 o    13.42000      0.1864000       13.41000 0.2632000       13.44000      0.2641000     -0.3038000E-01  0.3729000
  1 1 1       6    1    4 o    6.325000      0.1015000       6.422000 0.1434000       6.229000      0.1438000      0.1924000      0.2030000
  1 1 1       6    1    5 o    6.805000      0.1260000       6.791000 0.2046000       6.819000      0.1469000     -0.2800000E-01  0.2519000
  1 1 1       6    1    6 o    16.64000      0.2753000       16.65000 0.4498000       16.64000      0.3178000      0.4534000E-02  0.5507000
  1 1 1       6    1   11 o    14.63000      0.2813000                  ?       ?   14.63000      0.2813000                  ?              ?
  1 1 1       6    1   12 o    23.85000      0.3958000       24.18000 0.6512000       23.52000      0.4499000      0.6692000      0.7915000
  1 1 1       6    1   13 o    8.509000      0.1572000       8.521000 0.2565000       8.497000      0.1819000      0.2410000E-01  0.3145000
  1 1 1       6    1   14 o    4.137000      0.1156000       4.134000 0.1621000       4.140000      0.1649000     -0.6139000E-02  0.2313000
  1 1 1       6    1   15 o    7.785000      0.1299000       7.762000 0.1828000       7.809000      0.1846000     -0.4701000E-01  0.2598000
  1 1 1       6    1   16 o    11.81000      0.1734000       11.94000 0.2464000       11.68000      0.2440000      0.2574000      0.3468000
  1 1 1       6    1   17 o    4.200000      0.1439000       4.152000 0.1991000       4.248000      0.2078000     -0.9595000E-01  0.2878000
  1 1 1       6    1   18 o    4.647000      0.1527000       4.573000 0.2096000       4.722000      0.2222000     -0.1493000      0.3055000
  1 1 1       6    1   19 o    4.567000      0.1605000       4.615000 0.2228000       4.519000      0.2310000      0.9612000E-01  0.3209000
  1 1 1       6    1   20 o    3.644000      0.2027000       3.677000 0.2803000       3.612000      0.2929000      0.6487000E-01  0.4054000
  1 1 1       6    1   21 o    8.064000      0.1611000       8.112000 0.2300000       8.016000      0.2255000      0.9638000E-01  0.3221000
  1 1 1       6    1   22 o    5.846000      0.1752000       5.771000 0.2486000       5.922000      0.2470000     -0.1513000      0.3505000
  1 1 1       6    1   23 o    2.758000      0.3173000       3.161000 0.3767000       2.354000      0.5106000      0.8062000      0.6345000
  1 1 1       6    1   24 o    6.882000      0.2443000       6.997000 0.3562000       6.767000      0.3344000      0.2307000      0.4885000
  1 1 1       6    1   25 o    6.329000      0.1890000       6.593000 0.2643000       6.064000      0.2703000      0.5289000      0.3780000
  1 1 1       6    1   26 o    11.13000      0.1981000       11.15000 0.2783000       11.10000      0.2818000      0.5686000E-01  0.3961000
  1 1 1       6    1   27 o    7.735000      0.2927000       7.666000 0.3851000       7.803000      0.4410000     -0.1366000      0.5854000
  1 1 1       6    1   28 o    9.951000      0.2000000       10.03000 0.2818000       9.875000      0.2840000      0.1520000      0.4001000
  1 1 1       6    1   29 o    7.587000      0.2077000       7.373000 0.2944000       7.802000      0.2931000     -0.4293000      0.4154000
  1 1 1       6    1   30 o    3.437000      0.3585000       3.618000 0.4933000       3.257000      0.5205000      0.3608000      0.7171000
  1 1 1       6    1   31 o    3.934000      0.3457000       4.408000 0.4181000       3.460000      0.5507000      0.9478000      0.6914000
  1 1 1       6    1   32 o    5.537000      0.2809000       5.705000 0.3825000       5.369000      0.4116000      0.3362000      0.5619000
  1 1 1       6    1   33 o    3.986000      0.3691000       3.971000 0.5430000       4.001000      0.5001000     -0.3060000E-01  0.7382000
  1 1 1       6    1   34 o    4.561000      0.3431000       4.593000 0.4907000       4.529000      0.4796000      0.6341000E-01  0.6862000
  1 1 1       6    1   35 o    2.348000      0.5129000       2.746000 0.7261000       1.951000      0.7247000      0.7953000       1.026000
  1 1 1       6    1   36 o    3.952000      0.3954000       3.783000 0.6106000       4.122000      0.5025000     -0.3387000      0.7908000
  1 1 1       6    1   37 f    3.168000      0.5464000       3.357000 0.6667000       2.978000      0.8658000      0.3792000       1.093000
  1 1 1       6    2    0 o    4.107000      0.1155000       3.997000 0.1624000       4.218000      0.1642000     -0.2204000      0.2310000
  1 1 1       6    2    1 f    9.266000      0.1403000       9.240000 0.1976000       9.291000      0.1993000     -0.5054000E-01  0.2807000
  1 1 1       6    2    2 o    14.50000      0.2013000       14.52000 0.2853000       14.48000      0.2841000      0.3950000E-01  0.4026000
  1 1 1       6    2    3 o    10.49000      0.1502000       10.41000 0.2109000       10.57000      0.2141000     -0.1538000      0.3005000
  1 1 1       6    2    4 f    9.823000      0.1719000       9.783000 0.2796000       9.863000      0.1998000     -0.7931000E-01  0.3437000
  1 1 1       6    2    5 o    4.256000      0.1037000       4.100000 0.1669000       4.412000      0.1230000     -0.3117000      0.2073000
  1 1 1       6    2    6 o    18.62000      0.3059000       18.37000 0.4952000       18.86000      0.3594000     -0.4851000      0.6119000
  1 1 1       6    2    7 o    17.17000      0.4616000                  ?       ?   17.17000      0.4616000                  ?              ?
  1 1 1       6    2   10 o    16.51000      0.2744000       16.89000 0.4543000       16.12000      0.3078000      0.7645000      0.5487000
  1 1 1       6    2   11 o    1.937000      0.1397000       1.875000 0.2139000       1.999000      0.1799000     -0.1240000      0.2795000
  1 1 1       6    2   12 o    5.344000      0.1186000       5.568000 0.1910000       5.121000      0.1407000      0.4472000      0.2372000
  1 1 1       6    2   13 o    4.435000      0.1059000       4.609000 0.1423000       4.262000      0.1568000      0.3475000      0.2118000
  1 1 1       6    2   14 o    6.685000      0.1192000       6.873000 0.1654000       6.498000      0.1717000      0.3745000      0.2384000
  1 1 1       6    2   15 o    4.517000      0.1300000       4.181000 0.1782000       4.854000      0.1893000     -0.6727000      0.2600000
  1 1 1       6    2   16 o    5.932000      0.1288000       5.941000 0.1738000       5.924000      0.1903000      0.1714000E-01  0.2577000
  1 1 1       6    2   17 o    4.353000      0.2006000       4.787000 0.1959000       3.919000      0.3501000      0.8685000      0.4012000
  1 1 1       6    2   18 o    5.740000      0.1389000       5.995000 0.1927000       5.485000      0.2001000      0.5103000      0.2779000
  1 1 1       6    2   19 o    2.049000      0.3088000       1.828000 0.4616000       2.270000      0.4102000     -0.4419000      0.6175000
  1 1 1       6    2   20 o    5.603000      0.1559000       5.821000 0.2139000       5.386000      0.2267000      0.4355000      0.3117000
  1 1 1       6    2   21 o    7.936000      0.1584000       8.121000 0.2247000       7.752000      0.2234000      0.3691000      0.3168000
  1 1 1       6    2   22 o    3.803000      0.2170000       3.584000 0.3172000       4.022000      0.2962000     -0.4387000      0.4340000
  1 1 1       6    2   23 o    4.086000      0.2728000       4.178000 0.3930000       3.995000      0.3784000      0.1834000      0.5455000
  1 1 1       6    2   24 o    3.998000      0.3026000       4.056000 0.4596000       3.940000      0.3938000      0.1156000      0.6052000
  1 1 1       6    2   25 f    7.040000      0.1819000       7.136000 0.2608000       6.944000      0.2536000      0.1920000      0.3638000
  1 1 1       6    2   26 o    5.303000      0.3262000       4.892000 0.4458000       5.714000      0.4762000     -0.8223000      0.6523000
  1 1 1       6    2   27 o    4.994000      0.3756000       5.413000 0.4499000       4.576000      0.6015000      0.8368000      0.7512000
  1 1 1       6    2   28 o    10.42000      0.2009000       10.41000 0.2816000       10.43000      0.2865000     -0.2642000E-01  0.4017000
  1 1 1       6    2   29 o    5.964000      0.2257000       5.697000 0.3226000       6.230000      0.3157000     -0.5334000      0.4513000
  1 1 1       6    2   30 o    6.043000      0.2310000       6.007000 0.3282000       6.079000      0.3253000     -0.7243000E-01  0.4621000
  1 1 1       6    2   31 o    9.441000      0.2145000       9.059000 0.3053000       9.822000      0.3013000     -0.7625000      0.4290000
  1 1 1       6    2   32 o    2.878000      0.4763000       2.931000 0.6604000       2.825000      0.6865000      0.1059000      0.9526000
  1 1 1       6    2   33 o    6.221000      0.2596000       6.473000 0.3679000       5.969000      0.3664000      0.5040000      0.5193000
  1 1 1       6    2   34 o    4.700000      0.3214000       4.936000 0.4550000       4.465000      0.4540000      0.4706000      0.6427000
  1 1 1       6    2   35 o    5.315000      0.2905000       5.287000 0.4164000       5.344000      0.4052000     -0.5715000E-01  0.5810000
  1 1 1       6    2   36 o    2.124000      0.5257000       2.087000 0.7486000       2.161000      0.7381000     -0.7429000E-01   1.051000
  1 1 1       6    2   37 o    3.657000      0.4385000       3.162000 0.6919000       4.152000      0.5390000     -0.9897000      0.8770000
  1 1 1       6    3    0 f    10.99000      0.1621000       11.04000 0.2300000       10.94000      0.2284000      0.9880000E-01  0.3241000
  1 1 1       6    3    1 o    13.98000      0.1961000       14.05000 0.2788000       13.90000      0.2759000      0.1497000      0.3922000
  1 1 1       6    3    2 o    2.468000      0.1359000       2.475000 0.1896000       2.462000      0.1947000      0.1250000E-01  0.2718000
  1 1 1       6    3    3 o    4.603000      0.1008000       4.513000 0.1400000       4.693000      0.1449000     -0.1793000      0.2015000
  1 1 1       6    3    4 o    11.76000      0.1649000       11.66000 0.2311000       11.86000      0.2353000     -0.2018000      0.3298000
  1 1 1       6    3    5 o    4.562000      0.1251000       4.380000 0.1784000       4.744000      0.1752000     -0.3640000      0.2501000
  1 1 1       6    3    6 o    11.09000      0.1881000       11.09000 0.3072000       11.10000      0.2171000     -0.8331000E-02  0.3762000
  1 1 1       6    3    7 o    10.17000      0.1714000       10.04000 0.2772000       10.31000      0.2015000     -0.2647000      0.3427000
  1 1 1       6    3    8 f    8.185000      0.1605000       8.042000 0.2234000       8.328000      0.2305000     -0.2857000      0.3210000
  1 1 1       6    3    9 o    13.96000      0.2800000       13.92000 0.4893000       13.99000      0.2724000     -0.7486000E-01  0.5600000
  1 1 1       6    3   10 o    4.074000      0.1320000       3.865000 0.2275000       4.283000      0.1340000     -0.4177000      0.2641000
  1 1 1       6    3   11 o    24.11000      0.3973000       24.31000 0.6521000       23.91000      0.4542000      0.3963000      0.7947000
  1 1 1       6    3   12 o    18.59000      0.2529000       18.52000 0.3569000       18.66000      0.3583000     -0.1363000      0.5058000
  1 1 1       6    3   13 o    4.030000      0.1083000       4.028000 0.1495000       4.033000      0.1568000     -0.4532000E-02  0.2166000
  1 1 1       6    3   14 o    8.958000      0.1719000       8.781000 0.1912000       9.135000      0.2857000     -0.3541000      0.3438000
  1 1 1       6    3   15 o    3.202000      0.1469000       2.907000 0.2023000       3.497000      0.2130000     -0.5904000      0.2938000
  1 1 1       6    3   16 o    15.99000      0.2246000       16.24000 0.3207000       15.74000      0.3144000      0.5043000      0.4491000
  1 1 1       6    3   17 o    3.991000      0.1654000       4.505000 0.1974000       3.477000      0.2653000       1.028000      0.3307000
  1 1 1       6    3   18 o    11.15000      0.1733000       11.06000 0.2397000       11.24000      0.2504000     -0.1781000      0.3467000
  1 1 1       6    3   19 o    4.668000      0.1687000       4.220000 0.2265000       5.116000      0.2500000     -0.8967000      0.3373000
  1 1 1       6    3   20 o    6.297000      0.1624000       6.648000 0.2120000       5.946000      0.2461000      0.7024000      0.3248000
  1 1 1       6    3   21 o    7.216000      0.1660000       7.240000 0.2232000       7.192000      0.2458000      0.4771000E-01  0.3320000
  1 1 1       6    3   22 o    7.256000      0.1753000       7.234000 0.2332000       7.277000      0.2619000     -0.4318000E-01  0.3507000
  1 1 1       6    3   24 o    7.451000      0.1886000       7.434000 0.2519000       7.468000      0.2806000     -0.3399000E-01  0.3771000
  1 1 1       6    3   25 f    10.31000      0.1963000       10.30000 0.2697000       10.32000      0.2852000     -0.2006000E-01  0.3925000
  1 1 1       6    3   26 o    7.944000      0.2832000       7.741000 0.4002000       8.147000      0.4008000     -0.4053000      0.5664000
  1 1 1       6    3   27 o    6.926000      0.2158000       6.839000 0.2755000       7.012000      0.3323000     -0.1731000      0.4317000
  1 1 1       6    3   28 o    3.097000      0.4065000       2.915000 0.5443000       3.278000      0.6038000     -0.3629000      0.8130000
  1 1 1       6    3   29 o    4.043000      0.3330000       3.701000 0.4446000       4.385000      0.4957000     -0.6844000      0.6659000
  1 1 1       6    3   30 o    3.794000      0.3789000       4.046000 0.4312000       3.542000      0.6232000      0.5038000      0.7578000
  1 1 1       6    3   31 o    7.065000      0.2561000       7.149000 0.3237000       6.981000      0.3970000      0.1682000      0.5122000
  1 1 1       6    3   32 o    6.513000      0.2758000       6.281000 0.3612000       6.746000      0.4169000     -0.4642000      0.5516000
  1 1 1       6    3   33 o    1.926000      0.5413000       1.757000 0.7003000       2.094000      0.8256000     -0.3367000       1.083000
  1 1 1       6    3   34 o    2.782000      0.5524000       2.846000 0.6903000       2.719000      0.8626000      0.1265000       1.105000
  1 1 1       6    3   35 o    7.690000      0.2575000       7.685000 0.3301000       7.694000      0.3952000     -0.9157000E-02  0.5150000
  1 1 1       6    3   36 o    1.893000      0.4972000       2.369000 0.7461000       1.417000      0.6574000      0.9528000      0.9944000
  1 1 1       6    3   37 o    4.653000      0.3675000       5.187000 0.4599000       4.118000      0.5732000       1.069000      0.7349000
  1 1 1       6    4    0 o    6.341000      0.1222000       6.315000 0.1731000       6.367000      0.1725000     -0.5223000E-01  0.2444000
  1 1 1       6    4    1 o    11.37000      0.1657000       11.33000 0.2337000       11.42000      0.2351000     -0.9444000E-01  0.3315000
  1 1 1       6    4    2 o    25.50000      0.3443000       25.66000 0.4902000       25.34000      0.4837000      0.3201000      0.6887000
  1 1 1       6    4    3 o    7.526000      0.1201000       7.520000 0.1701000       7.532000      0.1696000     -0.1231000E-01  0.2402000
  1 1 1       6    4    4 o    11.47000      0.1622000       11.43000 0.2286000       11.51000      0.2301000     -0.7758000E-01  0.3244000
  1 1 1       6    4    5 o    22.60000      0.3046000       22.73000 0.4328000       22.47000      0.4287000      0.2637000      0.6092000
  1 1 1       6    4    6 o    14.40000      0.1959000       14.38000 0.2765000       14.42000      0.2775000     -0.3435000E-01  0.3918000
  1 1 1       6    4    7 o    24.04000      0.3236000       23.97000 0.4559000       24.10000      0.4593000     -0.1352000      0.6472000
  1 1 1       6    4    8 o    13.70000      0.1997000       13.44000 0.2674000       13.95000      0.2968000     -0.5029000      0.3995000
  1 1 1       6    4    9 o    3.024000      0.1373000       3.235000 0.1763000       2.813000      0.2106000      0.4224000      0.2746000
  1 1 1       6    4   10 o    11.03000      0.2373000       10.91000 0.3480000       11.15000      0.3226000     -0.2411000      0.4745000
  1 1 1       6    4   11 o    19.34000      0.2622000       19.46000 0.3733000       19.21000      0.3682000      0.2440000      0.5244000
  1 1 1       6    4   12 o    11.94000      0.1691000       11.64000 0.2350000       12.24000      0.2432000     -0.5932000      0.3382000
  1 1 1       6    4   13 o    4.151000      0.1596000                  ?       ?   4.151000      0.1596000                  ?              ?
  1 1 1       6    4   14 o    11.12000      0.1633000       11.07000 0.2308000       11.17000      0.2312000     -0.9851000E-01  0.3267000
  1 1 1       6    4   15 f    1.196000      0.2975000       1.489000 0.4502000      0.9021000      0.3891000      0.5871000      0.5950000
  1 1 1       6    4   16 o    8.175000      0.1397000       8.097000 0.1920000       8.253000      0.2031000     -0.1553000      0.2795000
  1 1 1       6    4   17 o    7.898000      0.1432000       8.048000 0.1983000       7.748000      0.2068000      0.3005000      0.2865000
  1 1 1       6    4   18 o    9.069000      0.1553000       9.210000 0.2142000       8.927000      0.2248000      0.2839000      0.3105000
  1 1 1       6    4   19 o    5.311000      0.1583000       5.351000 0.2071000       5.270000      0.2396000      0.8148000E-01  0.3167000
  1 1 1       6    4   20 o    2.854000      0.2538000       2.805000 0.3277000       2.904000      0.3876000     -0.9885000E-01  0.5076000
  1 1 1       6    4   21 o    9.765000      0.1750000       9.678000 0.2400000       9.851000      0.2548000     -0.1725000      0.3500000
  1 1 1       6    4   22 o    5.535000      0.2505000       5.604000 0.3246000       5.467000      0.3817000      0.1373000      0.5010000
  1 1 1       6    4   23 o    3.812000      0.2481000       3.897000 0.3228000       3.727000      0.3769000      0.1703000      0.4962000
  1 1 1       6    4   24 o    10.21000      0.1900000       10.03000 0.2593000       10.38000      0.2778000     -0.3479000      0.3800000
  1 1 1       6    4   25 o    6.161000      0.2890000       6.081000 0.3886000       6.241000      0.4279000     -0.1597000      0.5781000
  1 1 1       6    4   26 o    6.481000      0.3018000       6.206000 0.4133000       6.755000      0.4398000     -0.5491000      0.6035000
  1 1 1       6    4   27 o    5.887000      0.2281000       5.951000 0.2897000       5.822000      0.3524000      0.1290000      0.4562000
  1 1 1       6    4   28 o    5.351000      0.2533000       4.980000 0.3383000       5.721000      0.3770000     -0.7406000      0.5066000
  1 1 1       6    4   29 o    1.865000      0.4740000       1.397000 0.6038000       2.333000      0.7309000     -0.9355000      0.9480000
  1 1 1       6    4   30 o    8.091000      0.2296000       8.187000 0.2975000       7.994000      0.3497000      0.1934000      0.4591000
  1 1 1       6    4   31 o    5.034000      0.3117000       4.952000 0.4060000       5.115000      0.4731000     -0.1630000      0.6234000
  1 1 1       6    4   32 f    9.527000      0.2422000       9.702000 0.3160000       9.352000      0.3672000      0.3503000      0.4844000
  1 1 1       6    4   33 o    3.240000      0.5155000       2.849000 0.7276000       3.631000      0.7305000     -0.7816000       1.031000
  1 1 1       6    4   34 o    1.833000      0.5315000       1.723000 0.7093000       1.944000      0.7917000     -0.2208000       1.063000
  1 1 1       6    4   35 o    6.360000      0.2925000       6.220000 0.3861000       6.500000      0.4394000     -0.2806000      0.5849000
  1 1 1       6    4   36 o    1.490000      0.4717000       1.621000 0.6898000       1.358000      0.6436000      0.2635000      0.9434000
  1 1 1       6    4   37 o    2.384000      0.5511000       2.283000 0.7786000       2.485000      0.7800000     -0.2020000       1.102000
  1 1 1       6    5    0 o    21.04000      0.2881000       20.66000 0.4004000       21.43000      0.4143000     -0.7643000      0.5761000
  1 1 1       6    5    1 o    9.881000      0.1506000       9.792000 0.2115000       9.970000      0.2146000     -0.1785000      0.3013000
  1 1 1       6    5    2 o    11.59000      0.1674000       11.69000 0.2388000       11.50000      0.2348000      0.1884000      0.3349000
  1 1 1       6    5    3 o    18.89000      0.2580000       18.89000 0.3654000       18.89000      0.3644000     -0.3494000E-02  0.5161000
  1 1 1       6    5    4 o    5.499000      0.1050000       5.440000 0.1481000       5.559000      0.1489000     -0.1194000      0.2100000
  1 1 1       6    5    5 o    25.56000      0.3432000       25.64000 0.4868000       25.47000      0.4839000      0.1635000      0.6864000
  1 1 1       6    5    6 o    11.46000      0.1965000       11.18000 0.2189000       11.73000      0.3264000     -0.5411000      0.3930000
  1 1 1       6    5    7 o    9.638000      0.1693000       9.171000 0.1882000       10.11000      0.2814000     -0.9344000      0.3385000
  1 1 1       6    5    8 o    16.76000      0.2971000       17.02000 0.4796000       16.49000      0.3508000      0.5247000      0.5942000
  1 1 1       6    5    9 o    6.002000      0.1482000       6.341000 0.2226000       5.664000      0.1957000      0.6773000      0.2964000
  1 1 1       6    5   10 f    13.29000      0.2996000       13.29000 0.2996000                  ?              ?              ?              ?
  1 1 1       6    5   11 o    25.71000      0.3479000       24.98000 0.4800000       26.45000      0.5038000      -1.471000      0.6958000
  1 1 1       6    5   12 o    22.77000      0.4354000                  ?       ?   22.77000      0.4354000                  ?              ?
  1 1 1       6    5   13 o    5.590000      0.1142000       5.590000 0.1637000       5.589000      0.1593000      0.1300000E-02  0.2284000
  1 1 1       6    5   14 o    14.41000      0.2027000       14.31000 0.2857000       14.50000      0.2877000     -0.1921000      0.4055000
  1 1 1       6    5   15 o    9.414000      0.1491000       9.577000 0.2125000       9.251000      0.2092000      0.3264000      0.2982000
  1 1 1       6    5   16 o    4.116000      0.1484000       4.188000 0.2031000       4.044000      0.2165000      0.1444000      0.2969000
  1 1 1       6    5   17 f    6.725000      0.1424000       6.724000 0.2028000       6.726000      0.1999000     -0.2069000E-02  0.2847000
  1 1 1       6    5   18 o    5.547000      0.1495000       5.995000 0.1954000       5.098000      0.2262000      0.8972000      0.2989000
  1 1 1       6    5   19 o    1.658000      0.3435000       1.793000 0.4534000       1.524000      0.5163000      0.2687000      0.6871000
  1 1 1       6    5   20 o    2.299000      0.2812000       2.170000 0.3954000       2.428000      0.4001000     -0.2575000      0.5625000
  1 1 1       6    5   21 o    8.392000      0.2247000       8.327000 0.3053000       8.456000      0.3299000     -0.1290000      0.4495000
  1 1 1       6    5   22 o    8.289000      0.1724000       8.383000 0.2336000       8.195000      0.2536000      0.1884000      0.3448000
  1 1 1       6    5   23 o    4.638000      0.2132000       4.596000 0.2885000       4.681000      0.3139000     -0.8469000E-01  0.4263000
  1 1 1       6    5   24 o    6.136000      0.2815000       6.071000 0.3946000       6.202000      0.4017000     -0.1307000      0.5631000
  1 1 1       6    5   25 o    5.923000      0.3034000       6.505000 0.3987000       5.341000      0.4573000       1.165000      0.6068000
  1 1 1       6    5   26 o    4.928000      0.2396000       5.261000 0.2987000       4.595000      0.3748000      0.6654000      0.4793000
  1 1 1       6    5   27 o    9.191000      0.2023000       8.963000 0.2727000       9.419000      0.2990000     -0.4558000      0.4047000
  1 1 1       6    5   28 o    5.921000      0.2376000       6.268000 0.3000000       5.573000      0.3687000      0.6948000      0.4753000
  1 1 1       6    5   29 o    2.622000      0.4686000       2.398000 0.6223000       2.846000      0.7008000     -0.4485000      0.9372000
  1 1 1       6    5   30 o    5.057000      0.2957000       5.088000 0.3715000       5.026000      0.4602000      0.6162000E-01  0.5914000
  1 1 1       6    5   31 o    1.662000      0.4799000       1.187000 0.5575000       2.138000      0.7813000     -0.9504000      0.9598000
  1 1 1       6    5   32 o    6.279000      0.2796000       5.416000 0.3883000       7.143000      0.4024000      -1.726000      0.5592000
  1 1 1       6    5   33 o    2.106000      0.5428000       2.182000 0.7330000       2.030000      0.8008000      0.1525000       1.086000
  1 1 1       6    5   34 o    3.335000      0.4939000       3.241000 0.6529000       3.430000      0.7413000     -0.1886000      0.9878000
  1 1 1       6    5   35 o    4.506000      0.3757000       4.574000 0.4653000       4.438000      0.5899000      0.1366000      0.7513000
  1 1 1       6    5   36 o    2.500000      0.5395000       2.475000 0.7319000       2.525000      0.7928000     -0.4910000E-01   1.079000
  1 1 1       6    5   37 o    1.399000      0.4525000       1.535000 0.6786000       1.263000      0.5988000      0.2722000      0.9050000
  1 1 1       6    6    0 o    14.68000      0.2086000       14.63000 0.2941000       14.73000      0.2959000     -0.9484000E-01  0.4172000
  1 1 1       6    6    1 o    29.99000      0.4045000       29.62000 0.5651000       30.36000      0.5790000     -0.7389000      0.8091000
  1 1 1       6    6    2 o    7.845000      0.1313000       7.675000 0.1847000       8.014000      0.1867000     -0.3388000      0.2626000
  1 1 1       6    6    3 o    10.86000      0.1586000       11.00000 0.2263000       10.73000      0.2224000      0.2624000      0.3173000
  1 1 1       6    6    4 o    18.75000      0.2552000       18.56000 0.3575000       18.94000      0.3642000     -0.3790000      0.5104000
  1 1 1       6    6    5 o    24.21000      0.3256000       24.42000 0.4641000       24.00000      0.4568000      0.4165000      0.6512000
  1 1 1       6    6    6 o    12.84000      0.1790000       12.92000 0.2534000       12.75000      0.2530000      0.1674000      0.3581000
  1 1 1       6    6    7 f    7.030000      0.1615000       6.865000 0.2332000       7.194000      0.2234000     -0.3296000      0.3229000
  1 1 1       6    6    8 o    25.15000      0.3496000       24.48000 0.4779000       25.82000      0.5105000      -1.335000      0.6992000
  1 1 1       6    6    9 o    10.33000      0.1943000       10.45000 0.2924000       10.21000      0.2559000      0.2375000      0.3886000
  1 1 1       6    6   10 o    18.77000      0.4018000       18.77000 0.4018000                  ?              ?              ?              ?
  1 1 1       6    6   11 o    2.725000      0.1736000       2.808000 0.2510000       2.641000      0.2398000      0.1669000      0.3471000
  1 1 1       6    6   12 o    5.760000      0.1654000                  ?       ?   5.760000      0.1654000                  ?              ?
  1 1 1       6    6   13 o    7.782000      0.1301000       7.718000 0.1845000       7.847000      0.1834000     -0.1289000      0.2601000
  1 1 1       6    6   14 o    15.70000      0.2196000       15.73000 0.3119000       15.66000      0.3092000      0.6295000E-01  0.4392000
  1 1 1       6    6   15 o    7.403000      0.1339000       7.424000 0.1904000       7.382000      0.1882000      0.4162000E-01  0.2677000
  1 1 1       6    6   16 o    8.636000      0.1480000       8.627000 0.2086000       8.645000      0.2100000     -0.1843000E-01  0.2960000
  1 1 1       6    6   17 o    16.10000      0.2292000       16.21000 0.3258000       16.00000      0.3226000      0.2142000      0.4585000
  1 1 1       6    6   18 o    10.47000      0.1715000       10.57000 0.2441000       10.37000      0.2410000      0.2011000      0.3430000
  1 1 1       6    6   20 f    3.124000      0.3074000       3.353000 0.3665000       2.895000      0.4936000      0.4580000      0.6148000
  1 1 1       6    6   21 o    9.242000      0.1696000       9.100000 0.2344000       9.385000      0.2450000     -0.2849000      0.3391000
  1 1 1       6    6   22 o    6.674000      0.1696000       6.578000 0.2287000       6.770000      0.2506000     -0.1914000      0.3393000
  1 1 1       6    6   23 o    4.582000      0.3131000       4.499000 0.4503000       4.665000      0.4350000     -0.1663000      0.6261000
  1 1 1       6    6   24 o    6.809000      0.1844000       6.495000 0.2478000       7.124000      0.2731000     -0.6288000      0.3688000
  1 1 1       6    6   25 f    3.938000      0.2643000       3.618000 0.3802000       4.258000      0.3673000     -0.6393000      0.5287000
  1 1 1       6    6   26 o    2.346000      0.4215000       2.571000 0.5264000       2.121000      0.6585000      0.4497000      0.8431000
  1 1 1       6    6   27 o    12.74000      0.2184000       12.66000 0.2998000       12.81000      0.3178000     -0.1433000      0.4369000
  1 1 1       6    6   28 o    3.348000      0.3683000       3.215000 0.4985000       3.482000      0.5422000     -0.2668000      0.7365000
  1 1 1       6    6   29 o    4.708000      0.2825000       4.553000 0.3750000       4.863000      0.4226000     -0.3106000      0.5650000
  1 1 1       6    6   30 o    5.350000      0.2670000       5.176000 0.3552000       5.523000      0.3989000     -0.3478000      0.5341000
  1 1 1       6    6   31 o    3.702000      0.3965000       3.237000 0.5639000       4.166000      0.5576000     -0.9292000      0.7931000
  1 1 1       6    6   32 o    6.002000      0.2912000       5.966000 0.3693000       6.037000      0.4504000     -0.7107000E-01  0.5824000
  1 1 1       6    6   33 o    2.121000      0.5392000       2.258000 0.7274000       1.984000      0.7961000      0.2738000       1.078000
  1 1 1       6    6   34 o    6.930000      0.2832000       7.126000 0.3542000       6.734000      0.4421000      0.3917000      0.5665000
  1 1 1       6    6   35 o    1.889000      0.5339000       1.847000 0.7208000       1.931000      0.7877000     -0.8375000E-01   1.068000
  1 1 1       6    6   36 o    2.065000      0.5460000       2.201000 0.7696000       1.929000      0.7747000      0.2718000       1.092000
  1 1 1       6    6   37 o    3.165000      0.6187000       3.753000 0.8279000       2.578000      0.9196000       1.175000       1.237000
  1 1 1       6    7    0 o    10.58000      0.1635000       10.41000 0.2284000       10.75000      0.2339000     -0.3375000      0.3269000
  1 1 1       6    7    1 o    21.27000      0.2912000       21.35000 0.4131000       21.20000      0.4106000      0.1515000      0.5825000
  1 1 1       6    7    2 o    21.68000      0.2955000       21.83000 0.4205000       21.54000      0.4151000      0.2881000      0.5909000
  1 1 1       6    7    3 o    10.24000      0.1836000       10.40000 0.2179000       10.07000      0.2956000      0.3326000      0.3672000
  1 1 1       6    7    4 o    33.60000      0.4506000       33.26000 0.6308000       33.95000      0.6436000     -0.6882000      0.9012000
  1 1 1       6    7    5 o    17.17000      0.2341000       17.36000 0.3337000       16.98000      0.3284000      0.3793000      0.4682000
  1 1 1       6    7    6 o    7.201000      0.1514000       6.980000 0.2372000       7.422000      0.1881000     -0.4423000      0.3027000
  1 1 1       6    7    7 o    6.004000      0.1484000       5.815000 0.2027000       6.193000      0.2167000     -0.3773000      0.2967000
  1 1 1       6    7    8 o    10.85000      0.2013000       10.70000 0.2768000       11.00000      0.2922000     -0.3008000      0.4025000
  1 1 1       6    7    9 o    6.199000      0.2004000       6.200000 0.2715000       6.198000      0.2947000      0.2211000E-02  0.4007000
  1 1 1       6    7   10 o    11.96000      0.2073000       12.27000 0.3185000       11.66000      0.2654000      0.6080000      0.4146000
  1 1 1       6    7   11 o    16.30000      0.2343000       15.92000 0.3323000       16.68000      0.3304000     -0.7576000      0.4686000
  1 1 1       6    7   12 o    5.718000      0.1502000       5.993000 0.2374000       5.443000      0.1840000      0.5497000      0.3004000
  1 1 1       6    7   13 o    5.303000      0.1337000       5.397000 0.1957000       5.210000      0.1822000      0.1868000      0.2674000
  1 1 1       6    7   14 o    11.75000      0.1739000       11.69000 0.2461000       11.82000      0.2459000     -0.1294000      0.3479000
  1 1 1       6    7   15 o    7.314000      0.1373000       7.477000 0.1972000       7.151000      0.1910000      0.3263000      0.2745000
  1 1 1       6    7   16 o    7.573000      0.1425000       7.524000 0.2030000       7.622000      0.1999000     -0.9849000E-01  0.2849000
  1 1 1       6    7   17 o    9.653000      0.2156000       9.526000 0.3003000       9.779000      0.3094000     -0.2525000      0.4312000
  1 1 1       6    7   19 o    6.040000      0.1585000       6.152000 0.2240000       5.927000      0.2243000      0.2245000      0.3170000
  1 1 1       6    7   20 o    3.379000      0.2300000       3.419000 0.3193000       3.338000      0.3312000      0.8052000E-01  0.4600000
  1 1 1       6    7   21 o    1.833000      0.4844000       1.538000 0.6857000       2.127000      0.6844000     -0.5886000      0.9688000
  1 1 1       6    7   22 o    3.845000      0.4033000       4.188000 0.5932000       3.502000      0.5466000      0.6858000      0.8067000
  1 1 1       6    7   23 o    3.391000      0.2752000       3.607000 0.3435000       3.174000      0.4301000      0.4333000      0.5504000
  1 1 1       6    7   24 o    2.081000      0.3828000       1.509000 0.5571000       2.653000      0.5252000      -1.145000      0.7656000
  1 1 1       6    7   25 o    5.957000      0.2043000       5.862000 0.2741000       6.053000      0.3030000     -0.1904000      0.4086000
  1 1 1       6    7   26 o    3.451000      0.3014000       3.191000 0.4270000       3.712000      0.4255000     -0.5217000      0.6028000
  1 1 1       6    7   27 o    5.771000      0.2208000       5.708000 0.2948000       5.835000      0.3288000     -0.1270000      0.4416000
  1 1 1       6    7   28 o    8.260000      0.2074000       8.216000 0.2776000       8.304000      0.3083000     -0.8766000E-01  0.4149000
  1 1 1       6    7   29 o    2.342000      0.4829000       2.408000 0.6344000       2.276000      0.7282000      0.1315000      0.9658000
  1 1 1       6    7   30 o    4.035000      0.3540000       4.183000 0.4330000       3.886000      0.5602000      0.2966000      0.7081000
  1 1 1       6    7   31 o    2.175000      0.4651000       1.249000 0.5820000       3.101000      0.7257000      -1.851000      0.9303000
  1 1 1       6    7   32 o    7.324000      0.2566000       7.364000 0.3357000       7.284000      0.3883000      0.8029000E-01  0.5133000
  1 1 1       6    7   33 o    3.705000      0.4569000       4.317000 0.4710000       3.092000      0.7831000       1.224000      0.9139000
  1 1 1       6    7   34 o    4.669000      0.3584000       4.401000 0.4897000       4.936000      0.5234000     -0.5347000      0.7167000
  1 1 1       6    7   35 o    1.557000      0.4899000       1.312000 0.6117000       1.803000      0.7653000     -0.4909000      0.9797000
  1 1 1       6    7   36 o    2.311000      0.6214000       2.506000 0.8759000       2.116000      0.8816000      0.3897000       1.243000
  1 1 1       6    7   37 o    2.181000      0.6170000       1.841000 0.8022000       2.522000      0.9376000     -0.6810000       1.234000
  1 1 1       6    8    0 o    11.09000      0.1696000       10.70000 0.2340000       11.48000      0.2454000     -0.7817000      0.3391000
  1 1 1       6    8    1 o    12.51000      0.1835000       12.39000 0.2571000       12.64000      0.2619000     -0.2435000      0.3670000
  1 1 1       6    8    2 o    19.26000      0.2651000       19.19000 0.3723000       19.32000      0.3774000     -0.1267000      0.5301000
  1 1 1       6    8    3 o    9.835000      0.1479000       9.931000 0.2101000       9.739000      0.2081000      0.1925000      0.2957000
  1 1 1       6    8    4 o    9.370000      0.1397000       9.425000 0.1971000       9.315000      0.1979000      0.1100000      0.2793000
  1 1 1       6    8    5 o    5.973000      0.1153000       6.008000 0.1563000       5.939000      0.1695000      0.6978000E-01  0.2306000
  1 1 1       6    8    6 o    8.655000      0.1508000       8.800000 0.2004000       8.509000      0.2254000      0.2902000      0.3016000
  1 1 1       6    8    7 o    13.09000      0.2201000       12.89000 0.2813000       13.30000      0.3385000     -0.4059000      0.4401000
  1 1 1       6    8    8 o    7.282000      0.2111000       7.048000 0.3172000       7.516000      0.2788000     -0.4685000      0.4223000
  1 1 1       6    8    9 o    5.444000      0.2360000       5.404000 0.3065000       5.483000      0.3590000     -0.7838000E-01  0.4721000
  1 1 1       6    8   10 o    19.15000      0.2857000       19.33000 0.4238000       18.97000      0.3832000      0.3586000      0.5713000
  1 1 1       6    8   11 o    9.342000      0.1812000       9.499000 0.2709000       9.185000      0.2408000      0.3133000      0.3625000
  1 1 1       6    8   12 o    14.95000      0.2208000       14.76000 0.3163000       15.13000      0.3080000     -0.3728000      0.4415000
  1 1 1       6    8   13 o    11.65000      0.1778000       11.48000 0.2534000       11.83000      0.2496000     -0.3494000      0.3557000
  1 1 1       6    8   14 o    12.06000      0.2597000       12.02000 0.3727000       12.11000      0.3617000     -0.9151000E-01  0.5194000
  1 1 1       6    8   15 o    14.11000      0.2844000       14.42000 0.4105000       13.79000      0.3938000      0.6340000      0.5689000
  1 1 1       6    8   16 o    14.41000      0.2904000       14.57000 0.4146000       14.24000      0.4066000      0.3295000      0.5807000
  1 1 1       6    8   17 o    4.916000      0.1529000       5.116000 0.2135000       4.716000      0.2190000      0.4004000      0.3058000
  1 1 1       6    8   18 o    2.813000      0.2379000       3.140000 0.3060000       2.487000      0.3643000      0.6538000      0.4758000
  1 1 1       6    8   19 o    5.408000      0.2644000       5.415000 0.4031000       5.400000      0.3421000      0.1521000E-01  0.5287000
  1 1 1       6    8   20 o    1.427000      0.4445000       1.479000 0.6529000       1.374000      0.6034000      0.1046000      0.8890000
  1 1 1       6    8   21 o    4.405000      0.2028000       4.140000 0.2954000       4.671000      0.2778000     -0.5315000      0.4055000
  1 1 1       6    8   22 o    6.688000      0.1794000       6.585000 0.2566000       6.791000      0.2508000     -0.2058000      0.3588000
  1 1 1       6    8   23 o    4.892000      0.2120000       4.606000 0.3184000       5.179000      0.2799000     -0.5727000      0.4240000
  1 1 1       6    8   24 o    10.43000      0.1969000       10.12000 0.2759000       10.75000      0.2810000     -0.6245000      0.3938000
  1 1 1       6    8   25 f    9.659000      0.1910000       9.732000 0.2614000       9.586000      0.2786000      0.1468000      0.3820000
  1 1 1       6    8   26 o    10.94000      0.2006000       11.07000 0.2767000       10.81000      0.2905000      0.2610000      0.4012000
  1 1 1       6    8   27 o    6.279000      0.2162000       6.010000 0.2918000       6.548000      0.3192000     -0.5387000      0.4325000
  1 1 1       6    8   28 o    5.365000      0.2432000       4.917000 0.3297000       5.814000      0.3577000     -0.8965000      0.4864000
  1 1 1       6    8   29 o    4.697000      0.2780000       4.749000 0.3539000       4.645000      0.4289000      0.1036000      0.5561000
  1 1 1       6    8   30 o    8.987000      0.2197000       8.933000 0.3002000       9.041000      0.3208000     -0.1085000      0.4394000
  1 1 1       6    8   31 o    7.257000      0.2428000       7.292000 0.3222000       7.222000      0.3632000      0.7024000E-01  0.4855000
  1 1 1       6    8   32 o    2.133000      0.5056000       2.544000 0.6966000       1.723000      0.7329000      0.8205000       1.011000
  1 1 1       6    8   33 o    2.608000      0.5220000       3.034000 0.6642000       2.182000      0.8056000      0.8513000       1.044000
  1 1 1       6    8   34 o    3.885000      0.4286000       4.218000 0.5111000       3.553000      0.6883000      0.6648000      0.8573000
  1 1 1       6    8   35 o    2.580000      0.6365000       2.824000 0.8546000       2.336000      0.9433000      0.4887000       1.273000
  1 1 1       6    8   36 o    2.457000      0.6219000       2.838000 0.8618000       2.077000      0.8967000      0.7605000       1.244000
  1 1 1       6    8   37 o    3.864000      0.4439000       4.074000 0.5715000       3.654000      0.6795000      0.4198000      0.8878000
  1 1 1       6    9    0 o    7.539000      0.2043000       7.844000 0.2845000       7.234000      0.2932000      0.6105000      0.4086000
  1 1 1       6    9    1 o    10.35000      0.2295000       10.17000 0.3166000       10.53000      0.3324000     -0.3569000      0.4590000
  1 1 1       6    9    2 o    4.077000      0.1257000       4.063000 0.1764000       4.090000      0.1790000     -0.2717000E-01  0.2514000
  1 1 1       6    9    3 o    15.92000      0.2207000       15.58000 0.3058000       16.27000      0.3183000     -0.6883000      0.4414000
  1 1 1       6    9    4 o    13.31000      0.1881000       13.41000 0.2668000       13.21000      0.2654000      0.1990000      0.3763000
  1 1 1       6    9    5 o    17.99000      0.3055000       18.55000 0.3594000       17.43000      0.4941000       1.122000      0.6110000
  1 1 1       6    9    6 o    2.694000      0.2347000       2.531000 0.3546000       2.856000      0.3075000     -0.3257000      0.4693000
  1 1 1       6    9    7 o    17.12000      0.3313000       17.00000 0.5104000       17.25000      0.4225000     -0.2561000      0.6626000
  1 1 1       6    9    8 o    10.95000      0.2283000       10.88000 0.3157000       11.02000      0.3299000     -0.1430000      0.4566000
  1 1 1       6    9    9 o    11.48000      0.2888000       12.03000 0.3736000       10.93000      0.4404000       1.104000      0.5776000
  1 1 1       6    9   10 o    19.25000      0.4907000       18.37000 0.7801000       20.13000      0.5953000      -1.765000      0.9813000
  1 1 1       6    9   11 o    13.52000      0.7768000       13.52000 0.7768000                  ?              ?              ?              ?
  1 1 1       6    9   12 o    15.22000      0.3470000       14.94000 0.5164000       15.50000      0.4638000     -0.5536000      0.6941000
  1 1 1       6    9   14 f    9.706000      0.1632000       9.690000 0.2380000       9.721000      0.2233000     -0.3081000E-01  0.3264000
  1 1 1       6    9   15 o    10.40000      0.1686000       10.18000 0.2392000       10.62000      0.2377000     -0.4391000      0.3373000
  1 1 1       6    9   16 o    3.405000      0.1785000       3.027000 0.2725000       3.784000      0.2304000     -0.7573000      0.3569000
  1 1 1       6    9   17 o    11.33000      0.2594000       11.57000 0.3763000       11.09000      0.3570000      0.4761000      0.5187000
  1 1 1       6    9   18 o    5.691000      0.2533000       5.693000 0.3816000       5.688000      0.3332000      0.4867000E-02  0.5066000
  1 1 1       6    9   19 f    11.85000      0.1882000       12.10000 0.2717000       11.59000      0.2604000      0.5035000      0.3764000
  1 1 1       6    9   20 f    5.491000      0.1743000       5.531000 0.2511000       5.450000      0.2418000      0.8150000E-01  0.3486000
  1 1 1       6    9   21 o    5.202000      0.1882000       5.115000 0.2747000       5.289000      0.2572000     -0.1745000      0.3763000
  1 1 1       6    9   22 o    11.90000      0.1982000       11.92000 0.2813000       11.88000      0.2794000      0.4115000E-01  0.3965000
  1 1 1       6    9   23 o    9.268000      0.1836000       9.161000 0.2590000       9.374000      0.2602000     -0.2129000      0.3671000
  1 1 1       6    9   24 o    13.57000      0.2196000       13.64000 0.3128000       13.50000      0.3084000      0.1371000      0.4392000
  1 1 1       6    9   25 o    5.601000      0.2174000       5.392000 0.3137000       5.811000      0.3011000     -0.4191000      0.4348000
  1 1 1       6    9   26 o    9.569000      0.2013000       9.494000 0.2831000       9.645000      0.2862000     -0.1508000      0.4026000
  1 1 1       6    9   27 o    4.395000      0.2650000       3.858000 0.3771000       4.933000      0.3723000      -1.075000      0.5299000
  1 1 1       6    9   28 f    5.213000      0.2514000       4.980000 0.3464000       5.446000      0.3645000     -0.4662000      0.5028000
  1 1 1       6    9   29 o    5.295000      0.2598000       5.591000 0.3224000       5.000000      0.4075000      0.5913000      0.5196000
  1 1 1       6    9   30 o    10.10000      0.2182000       10.08000 0.2987000       10.12000      0.3183000     -0.3197000E-01  0.4365000
  1 1 1       6    9   31 o    3.631000      0.3966000       3.709000 0.5200000       3.553000      0.5991000      0.1566000      0.7933000
  1 1 1       6    9   32 o    5.213000      0.3166000       5.380000 0.4019000       5.047000      0.4893000      0.3337000      0.6332000
  1 1 1       6    9   33 o    2.347000      0.5410000       1.965000 0.7225000       2.729000      0.8055000     -0.7643000       1.082000
  1 1 1       6    9   34 o    5.591000      0.4348000       6.174000 0.4938000       5.009000      0.7157000       1.165000      0.8695000
  1 1 1       6    9   35 o    5.155000      0.4798000                  ?       ?   5.155000      0.4798000                  ?              ?
  1 1 1       6    9   36 o    2.556000      0.5480000       2.013000 0.7489000       3.098000      0.8003000      -1.084000       1.096000
  1 1 1       6    9   37 o    4.918000      0.5562000       5.313000 0.6972000       4.524000      0.8668000      0.7885000       1.112000
  1 1 1       6   10    0 o    13.76000      0.1997000       13.85000 0.2839000       13.66000      0.2811000      0.1910000      0.3995000
  1 1 1       6   10    1 o    23.90000      0.3252000       23.92000 0.4605000       23.87000      0.4591000      0.5013000E-01  0.6503000
  1 1 1       6   10    2 o    8.920000      0.1432000       8.781000 0.2001000       9.060000      0.2048000     -0.2788000      0.2863000
  1 1 1       6   10    3 o    8.071000      0.1588000       7.896000 0.2535000       8.247000      0.1914000     -0.3510000      0.3176000
  1 1 1       6   10    4 o    8.634000      0.1694000       8.643000 0.2751000       8.625000      0.1979000      0.1821000E-01  0.3389000
  1 1 1       6   10    5 o    1.596000      0.3247000       1.872000 0.4594000       1.320000      0.4591000      0.5520000      0.6494000
  1 1 1       6   10    6 o    8.306000      0.2038000       8.270000 0.3022000       8.341000      0.2735000     -0.7082000E-01  0.4076000
  1 1 1       6   10    7 o    21.07000      0.4993000       21.91000 0.6207000       20.23000      0.7822000       1.683000      0.9985000
  1 1 1       6   10    8 o    15.42000      0.2708000       15.13000 0.3649000       15.71000      0.4001000     -0.5734000      0.5415000
  1 1 1       6   10    9 o    7.292000      0.2791000       7.284000 0.3898000       7.299000      0.3995000     -0.1448000E-01  0.5582000
  1 1 1       6   10   10 o    5.143000      0.2992000       5.260000 0.3479000       5.027000      0.4869000      0.2329000      0.5984000
  1 1 1       6   10   11 o    14.77000      0.3817000       14.77000 0.3817000                  ?              ?              ?              ?
  1 1 1       6   10   12 o    14.78000      0.2639000       14.80000 0.4200000       14.77000      0.3197000      0.3067000E-01  0.5279000
  1 1 1       6   10   13 o    12.42000      0.3691000                  ?       ?   12.42000      0.3691000                  ?              ?
  1 1 1       6   10   14 o    12.20000      0.2575000       11.85000 0.3585000       12.54000      0.3697000     -0.6924000      0.5149000
  1 1 1       6   10   15 o    13.52000      0.2825000       14.02000 0.4125000       13.03000      0.3860000      0.9827000      0.5649000
  1 1 1       6   10   16 o    3.065000      0.2476000       2.932000 0.3869000       3.198000      0.3092000     -0.2660000      0.4952000
  1 1 1       6   10   17 o    9.918000      0.1692000       9.884000 0.2412000       9.953000      0.2374000     -0.6820000E-01  0.3384000
  1 1 1       6   10   18 o    3.957000      0.1987000       3.833000 0.2931000       4.082000      0.2683000     -0.2495000      0.3973000
  1 1 1       6   10   19 o    6.956000      0.1651000       6.901000 0.2343000       7.011000      0.2326000     -0.1095000      0.3302000
  1 1 1       6   10   20 o    8.123000      0.1684000       7.908000 0.2392000       8.337000      0.2370000     -0.4289000      0.3367000
  1 1 1       6   10   21 o    2.286000      0.3468000       3.000000 0.3814000       1.571000      0.5794000       1.429000      0.6937000
  1 1 1       6   10   22 o    10.07000      0.2192000       10.20000 0.2664000       9.932000      0.3480000      0.2659000      0.4383000
  1 1 1       6   10   23 o    4.209000      0.2392000       4.350000 0.3316000       4.068000      0.3447000      0.2824000      0.4784000
  1 1 1       6   10   24 o    5.258000      0.2154000       5.186000 0.3038000       5.331000      0.3054000     -0.1450000      0.4308000
  1 1 1       6   10   25 o    8.059000      0.1932000       7.846000 0.2743000       8.273000      0.2722000     -0.4262000      0.3864000
  1 1 1       6   10   26 o    13.87000      0.2292000       13.81000 0.3250000       13.92000      0.3234000     -0.1091000      0.4584000
  1 1 1       6   10   27 o    3.613000      0.3332000       3.694000 0.4488000       3.531000      0.4925000      0.1626000      0.6663000
  1 1 1       6   10   28 o    7.230000      0.2206000       7.199000 0.3130000       7.261000      0.3110000     -0.6244000E-01  0.4412000
  1 1 1       6   10   29 o    4.174000      0.3232000       4.709000 0.3767000       3.639000      0.5253000       1.070000      0.6464000
  1 1 1       6   10   30 f    5.197000      0.2802000       5.423000 0.3530000       4.971000      0.4353000      0.4512000      0.5604000
  1 1 1       6   10   31 o    7.115000      0.2461000       6.683000 0.3424000       7.547000      0.3537000     -0.8642000      0.4923000
  1 1 1       6   10   32 o    2.000000      0.5402000       2.515000 0.8189000       1.485000      0.7049000       1.030000       1.080000
  1 1 1       6   10   33 o    4.886000      0.4506000       4.737000 0.5926000       5.035000      0.6790000     -0.2979000      0.9012000
  1 1 1       6   10   34 o    2.113000      0.5176000       2.541000 0.7251000       1.685000      0.7390000      0.8557000       1.035000
  1 1 1       6   10   35 o    2.359000      0.5647000       2.183000 0.7642000       2.535000      0.8316000     -0.3527000       1.129000
  1 1 1       6   10   36 o    1.759000      0.5704000       1.832000 0.8359000       1.686000      0.7763000      0.1463000       1.141000
  1 1 1       6   11    0 o    14.90000      0.2993000       15.20000 0.4323000       14.59000      0.4140000      0.6103000      0.5985000
  1 1 1       6   11    1 o    12.24000      0.2519000       12.16000 0.3558000       12.33000      0.3566000     -0.1674000      0.5037000
  1 1 1       6   11    2 o    19.48000      0.3782000       20.40000 0.5563000       18.57000      0.5124000       1.829000      0.7563000
  1 1 1       6   11    3 o    19.27000      0.3753000       18.78000 0.5152000       19.76000      0.5459000     -0.9802000      0.7507000
  1 1 1       6   11    4 o    14.43000      0.2965000       14.38000 0.4086000       14.48000      0.4297000     -0.9641000E-01  0.5930000
  1 1 1       6   11    5 o    11.32000      0.3226000       11.08000 0.3625000       11.55000      0.5337000     -0.4748000      0.6452000
  1 1 1       6   11    6 o    4.684000      0.8230000       4.600000 0.5605000       4.769000       1.548000     -0.1693000       1.646000
  1 1 1       6   11    7 o    5.820000      0.9859000       5.865000 0.5845000       5.776000       1.883000      0.8947000E-01   1.972000
  1 1 1       6   11    8 o    13.50000      0.4752000       13.62000 0.4688000       13.39000      0.8268000      0.2319000      0.9505000
  1 1 1       6   11   10 o    5.876000      0.3816000       6.068000 0.3826000       5.683000      0.6603000      0.3854000      0.7631000
  1 1 1       6   11   12 o    7.927000      0.2178000       7.926000 0.2959000       7.928000      0.3196000     -0.2235000E-02  0.4356000
  1 1 1       6   11   13 o    6.945000      0.1804000       6.685000 0.2642000       7.206000      0.2458000     -0.5208000      0.3609000
  1 1 1       6   11   14 o    8.288000      0.1786000       8.069000 0.2667000       8.508000      0.2375000     -0.4387000      0.3572000
  1 1 1       6   11   15 o    2.941000      0.2617000       2.883000 0.3949000       2.998000      0.3436000     -0.1159000      0.5235000
  1 1 1       6   11   16 o    2.497000      0.3203000       2.675000 0.4605000       2.320000      0.4454000      0.3557000      0.6407000
  1 1 1       6   11   17 o    9.864000      0.1745000       9.840000 0.2501000       9.888000      0.2436000     -0.4797000E-01  0.3491000
  1 1 1       6   11   18 o    5.547000      0.1726000       5.508000 0.2498000       5.587000      0.2381000     -0.7855000E-01  0.3451000
  1 1 1       6   11   19 o    4.212000      0.2097000       4.176000 0.3033000       4.249000      0.2896000     -0.7306000E-01  0.4194000
  1 1 1       6   11   20 o    3.991000      0.2375000       4.482000 0.3071000       3.500000      0.3624000      0.9817000      0.4750000
  1 1 1       6   11   21 o    15.53000      0.2342000       15.48000 0.3323000       15.58000      0.3302000     -0.9126000E-01  0.4685000
  1 1 1       6   11   22 o    4.770000      0.2141000       4.781000 0.3118000       4.758000      0.2935000      0.2336000E-01  0.4282000
  1 1 1       6   11   23 o    12.73000      0.2090000       12.76000 0.2981000       12.69000      0.2931000      0.7101000E-01  0.4180000
  1 1 1       6   11   24 o    12.36000      0.2104000       12.22000 0.2956000       12.50000      0.2993000     -0.2817000      0.4207000
  1 1 1       6   11   25 o    10.52000      0.2024000       10.47000 0.2875000       10.58000      0.2850000     -0.1060000      0.4048000
  1 1 1       6   11   26 o    5.816000      0.2242000       5.584000 0.3144000       6.049000      0.3198000     -0.4647000      0.4485000
  1 1 1       6   11   27 o    7.734000      0.2452000       7.535000 0.2999000       7.933000      0.3879000     -0.3979000      0.4903000
  1 1 1       6   11   28 o    1.387000      0.4307000       1.289000 0.5785000       1.484000      0.6383000     -0.1947000      0.8614000
  1 1 1       6   11   29 o    4.452000      0.3195000       4.448000 0.4429000       4.457000      0.4607000     -0.8978000E-02  0.6391000
  1 1 1       6   11   30 o    2.972000      0.4681000       2.054000 0.7625000       3.890000      0.5432000      -1.836000      0.9362000
  1 1 1       6   11   31 o    5.476000      0.3793000       5.484000 0.5029000       5.467000      0.5678000      0.1731000E-01  0.7585000
  1 1 1       6   11   32 o    1.984000      0.5457000       2.396000 0.8125000       1.571000      0.7286000      0.8246000       1.091000
  1 1 1       6   11   33 o    4.276000      0.3891000       4.509000 0.4630000       4.044000      0.6255000      0.4652000      0.7782000
  1 1 1       6   11   34 o    1.950000      0.5676000       1.920000 0.8339000       1.979000      0.7701000     -0.5930000E-01   1.135000
  1 1 1       6   11   35 o    4.294000      0.5906000       4.145000 0.8302000       4.442000      0.8403000     -0.2971000       1.181000
  1 1 1       6   11   36 o    2.404000      0.5680000       2.476000 0.7795000       2.331000      0.8264000      0.1443000       1.136000
  1 1 1       6   12    0 o    19.31000      0.2673000       19.53000 0.3818000       19.09000      0.3743000      0.4470000      0.5346000
  1 1 1       6   12    1 o    10.39000      0.1609000       10.42000 0.2258000       10.36000      0.2292000      0.6008000E-01  0.3218000
  1 1 1       6   12    2 o    26.85000      0.3638000       26.60000 0.5088000       27.11000      0.5201000     -0.5054000      0.7276000
  1 1 1       6   12    3 o    27.47000      0.3732000       27.63000 0.5302000       27.31000      0.5255000      0.3192000      0.7465000
  1 1 1       6   12    4 f    10.16000      0.1676000       10.18000 0.2276000       10.14000      0.2461000      0.4159000E-01  0.3352000
  1 1 1       6   12    5 o    3.970000      0.2344000       3.410000 0.3669000       4.530000      0.2918000      -1.121000      0.4688000
  1 1 1       6   12    6 o    13.71000      0.2421000       13.48000 0.3124000       13.94000      0.3699000     -0.4526000      0.4842000
  1 1 1       6   12    7 o    15.58000      0.3014000       14.92000 0.3719000       16.23000      0.4745000      -1.320000      0.6029000
  1 1 1       6   12    8 o    8.866000      0.2698000       9.079000 0.4008000       8.653000      0.3612000      0.4259000      0.5395000
  1 1 1       6   12    9 o    12.14000      0.3023000       12.41000 0.4350000       11.86000      0.4200000      0.5508000      0.6047000
  1 1 1       6   12   10 o    11.81000      0.2688000       11.99000 0.3913000       11.63000      0.3687000      0.3645000      0.5377000
  1 1 1       6   12   11 o    2.527000      0.4223000       3.287000 0.4699000       1.766000      0.7017000       1.521000      0.8445000
  1 1 1       6   12   12 o    14.43000      0.2630000       14.25000 0.3953000       14.62000      0.3468000     -0.3760000      0.5259000
  1 1 1       6   12   13 o    6.888000      0.1949000       6.804000 0.2928000       6.972000      0.2572000     -0.1673000      0.3898000
  1 1 1       6   12   14 o    3.012000      0.2981000       3.101000 0.4342000       2.923000      0.4085000      0.1780000      0.5961000
  1 1 1       6   12   15 o    5.521000      0.1935000       5.470000 0.2940000       5.572000      0.2516000     -0.1027000      0.3870000
  1 1 1       6   12   16 o    2.440000      0.3350000       2.381000 0.5042000       2.498000      0.4412000     -0.1166000      0.6700000
  1 1 1       6   12   17 o    8.989000      0.1772000       8.969000 0.2574000       9.009000      0.2437000     -0.4014000E-01  0.3545000
  1 1 1       6   12   18 o    2.345000      0.3674000       1.970000 0.5829000       2.719000      0.4474000     -0.7491000      0.7348000
  1 1 1       6   12   19 o    13.23000      0.2077000       13.11000 0.2959000       13.35000      0.2916000     -0.2391000      0.4155000
  1 1 1       6   12   20 o    8.699000      0.1779000       8.516000 0.2587000       8.883000      0.2441000     -0.3672000      0.3557000
  1 1 1       6   12   21 o    19.19000      0.2774000       19.14000 0.3936000       19.24000      0.3910000     -0.9645000E-01  0.5548000
  1 1 1       6   12   22 o    4.297000      0.2465000       4.123000 0.3719000       4.471000      0.3237000     -0.3485000      0.4931000
  1 1 1       6   12   23 o    12.14000      0.2062000       12.21000 0.2942000       12.08000      0.2890000      0.1318000      0.4124000
  1 1 1       6   12   24 o    2.395000      0.4161000       2.089000 0.6216000       2.701000      0.5535000     -0.6123000      0.8323000
  1 1 1       6   12   25 o    3.744000      0.3021000       3.635000 0.4353000       3.853000      0.4189000     -0.2178000      0.6041000
  1 1 1       6   12   26 o    5.291000      0.2518000       5.377000 0.3450000       5.204000      0.3669000      0.1728000      0.5036000
  1 1 1       6   12   27 o    5.384000      0.2523000       5.252000 0.3611000       5.516000      0.3525000     -0.2634000      0.5046000
  1 1 1       6   12   28 o    1.529000      0.4555000       1.570000 0.6449000       1.489000      0.6433000      0.8163000E-01  0.9109000
  1 1 1       6   12   29 o    2.770000      0.5316000       3.072000 0.6886000       2.468000      0.8101000      0.6035000       1.063000
  1 1 1       6   12   30 o    4.996000      0.3890000       4.730000 0.5464000       5.261000      0.5538000     -0.5316000      0.7780000
  1 1 1       6   12   31 o    3.073000      0.4935000       2.538000 0.7776000       3.608000      0.6077000      -1.070000      0.9870000
  1 1 1       6   12   32 o    4.538000      0.3630000       3.764000 0.5605000       5.313000      0.4614000      -1.550000      0.7260000
  1 1 1       6   12   33 o    4.333000      0.6071000       4.299000 0.8186000       4.368000      0.8969000     -0.6858000E-01   1.214000
  1 1 1       6   12   34 o    2.410000      0.6409000       1.893000 0.8388000       2.927000      0.9692000      -1.034000       1.282000
  1 1 1       6   12   35 o    2.943000      0.5584000       3.083000 0.7634000       2.804000      0.8152000      0.2782000       1.117000
  1 1 1       6   12   36 o    3.335000      0.5063000       4.052000 0.5934000       2.617000      0.8206000       1.434000       1.013000
  1 1 1       6   13    0 o    11.33000      0.1727000       11.51000 0.2452000       11.15000      0.2432000      0.3564000      0.3454000
  1 1 1       6   13    1 o    18.57000      0.2577000       18.69000 0.3651000       18.46000      0.3637000      0.2385000      0.5154000
  1 1 1       6   13    2 o    17.71000      0.2481000       17.36000 0.3427000       18.05000      0.3589000     -0.6933000      0.4962000
  1 1 1       6   13    3 o    20.88000      0.3515000       20.76000 0.4051000       21.00000      0.5745000     -0.2469000      0.7029000
  1 1 1       6   13    4 o    14.50000      0.2228000       14.20000 0.2987000       14.80000      0.3307000     -0.6048000      0.4456000
  1 1 1       6   13    5 o    27.81000      0.4670000       27.32000 0.5333000       28.30000      0.7669000     -0.9857000      0.9341000
  1 1 1       6   13    6 o    15.59000      0.3360000       16.54000 0.5396000       14.65000      0.4006000       1.884000      0.6720000
  1 1 1       6   13    7 o    5.404000      0.3661000       4.984000 0.6123000       5.824000      0.4014000     -0.8402000      0.7321000
  1 1 1       6   13    8 o    2.504000      0.6158000       2.571000 0.9224000       2.438000      0.8162000      0.1334000       1.232000
  1 1 1       6   13    9 o    16.78000      0.3298000       17.16000 0.4819000       16.41000      0.4504000      0.7487000      0.6596000
  1 1 1       6   13   10 o    10.60000      0.2740000       10.41000 0.3801000       10.78000      0.3947000     -0.3681000      0.5479000
  1 1 1       6   13   11 o    1.825000      0.5160000       1.597000 0.6663000       2.054000      0.7880000     -0.4570000       1.032000
  1 1 1       6   13   12 o    8.967000      0.2332000       9.180000 0.3290000       8.753000      0.3306000      0.4268000      0.4664000
  1 1 1       6   13   13 o    5.740000      0.2256000       5.768000 0.3273000       5.712000      0.3106000      0.5587000E-01  0.4512000
  1 1 1       6   13   14 o    3.450000      0.2949000       3.662000 0.4135000       3.238000      0.4204000      0.4237000      0.5897000
  1 1 1       6   13   15 o    9.970000      0.2728000       9.481000 0.2983000       10.46000      0.4568000     -0.9783000      0.5456000
  1 1 1       6   13   16 o    2.696000      0.3422000       2.438000 0.5582000       2.955000      0.3961000     -0.5175000      0.6845000
  1 1 1       6   13   17 o    3.141000      0.2980000       3.293000 0.4232000       2.990000      0.4197000      0.3027000      0.5960000
  1 1 1       6   13   18 o    2.804000      0.3656000       2.606000 0.5885000       3.001000      0.4339000     -0.3946000      0.7312000
  1 1 1       6   13   19 o    11.04000      0.1950000       10.87000 0.2805000       11.22000      0.2709000     -0.3509000      0.3900000
  1 1 1       6   13   20 o    5.335000      0.2063000       5.582000 0.2940000       5.087000      0.2894000      0.4950000      0.4125000
  1 1 1       6   13   21 o    5.893000      0.2358000       5.398000 0.3061000       6.388000      0.3587000     -0.9899000      0.4716000
  1 1 1       6   13   22 o    6.925000      0.1960000       6.969000 0.2814000       6.881000      0.2729000      0.8759000E-01  0.3920000
  1 1 1       6   13   23 o    6.624000      0.2093000       6.147000 0.3097000       7.100000      0.2817000     -0.9535000      0.4186000
  1 1 1       6   13   24 o    11.04000      0.2077000       10.96000 0.2983000       11.12000      0.2891000     -0.1609000      0.4154000
  1 1 1       6   13   25 o    2.558000      0.4223000       3.062000 0.5360000       2.054000      0.6526000       1.008000      0.8446000
  1 1 1       6   13   26 o    4.443000      0.2834000       4.302000 0.4176000       4.584000      0.3833000     -0.2813000      0.5669000
  1 1 1       6   13   27 o    6.054000      0.3013000       6.068000 0.4074000       6.040000      0.4441000      0.2818000E-01  0.6027000
  1 1 1       6   13   28 o    3.811000      0.4619000       4.502000 0.5256000       3.121000      0.7598000       1.381000      0.9239000
  1 1 1       6   13   29 o    5.076000      0.3109000       4.540000 0.4931000       5.612000      0.3789000      -1.073000      0.6219000
  1 1 1       6   13   30 f    4.477000      0.3594000       4.093000 0.5469000       4.861000      0.4666000     -0.7677000      0.7188000
  1 1 1       6   13   31 o    2.258000      0.6876000       2.419000 1.040000       2.096000      0.8991000      0.3226000       1.375000
  1 1 1       6   13   32 o    6.515000      0.5321000       6.730000 0.8193000       6.301000      0.6792000      0.4290000       1.064000
  1 1 1       6   13   33 o    3.825000      0.4757000       3.632000 0.7133000       4.018000      0.6296000     -0.3863000      0.9514000
  1 1 1       6   13   34 o    2.571000      0.4849000       3.538000 0.6546000       1.604000      0.7156000       1.933000      0.9698000
  1 1 1       6   13   35 o    2.811000      0.5731000       2.667000 0.7979000       2.955000      0.8229000     -0.2874000       1.146000
  1 1 1       6   13   36 o    3.113000      0.8611000                  ?       ?   3.113000      0.8611000                  ?              ?
  1 1 1       6   14    0 o    13.92000      0.2020000       14.29000 0.2899000       13.55000      0.2814000      0.7387000      0.4041000
  1 1 1       6   14    1 o    15.03000      0.2155000       15.15000 0.3052000       14.91000      0.3043000      0.2444000      0.4310000
  1 1 1       6   14    2 o    10.60000      0.1715000       10.72000 0.2383000       10.49000      0.2466000      0.2310000      0.3429000
  1 1 1       6   14    3 o    15.01000      0.2225000       15.06000 0.3072000       14.96000      0.3219000      0.1015000      0.4450000
  1 1 1       6   14    4 o    4.729000      0.2034000       4.627000 0.2864000       4.830000      0.2890000     -0.2038000      0.4069000
  1 1 1       6   14    5 o    5.689000      0.2202000       5.535000 0.3145000       5.843000      0.3084000     -0.3077000      0.4404000
  1 1 1       6   14    6 o    8.578000      0.2363000       8.660000 0.3436000       8.497000      0.3246000      0.1625000      0.4727000
  1 1 1       6   14    7 o    10.04000      0.2944000       9.875000 0.4391000       10.21000      0.3923000     -0.3369000      0.5888000
  1 1 1       6   14    8 o    7.252000      0.3419000       7.210000 0.5380000       7.293000      0.4220000     -0.8295000E-01  0.6838000
  1 1 1       6   14    9 o    14.65000      0.3280000       14.66000 0.4709000       14.65000      0.4566000      0.8634000E-02  0.6559000
  1 1 1       6   14   10 o    4.259000      0.5075000       3.469000 0.7118000       5.049000      0.7234000      -1.579000       1.015000
  1 1 1       6   14   11 o    3.394000      0.5438000       3.079000 0.6985000       3.709000      0.8337000     -0.6291000       1.088000
  1 1 1       6   14   12 o    2.785000      0.6422000       2.785000 0.6422000                  ?              ?              ?              ?
  1 1 1       6   14   13 o    7.671000      0.2329000       7.658000 0.3305000       7.683000      0.3281000     -0.2541000E-01  0.4657000
  1 1 1       6   14   14 o    4.668000      0.3437000                  ?       ?   4.668000      0.3437000                  ?              ?
  1 1 1       6   14   15 o    9.183000      0.2878000       9.117000 0.3188000       9.248000      0.4793000     -0.1309000      0.5757000
  1 1 1       6   14   16 o    4.982000      0.2360000       4.792000 0.3564000       5.173000      0.3095000     -0.3806000      0.4721000
  1 1 1       6   14   17 o    4.550000      0.2391000       4.674000 0.3448000       4.426000      0.3314000      0.2484000      0.4782000
  1 1 1       6   14   18 o    4.651000      0.2412000       4.486000 0.3690000       4.817000      0.3107000     -0.3306000      0.4824000
  1 1 1       6   14   19 o    3.622000      0.3051000       3.915000 0.4274000       3.330000      0.4354000      0.5852000      0.6101000
  1 1 1       6   14   20 o    10.30000      0.1986000       10.21000 0.2878000       10.38000      0.2738000     -0.1707000      0.3972000
  1 1 1       6   14   21 o    12.04000      0.2072000       11.74000 0.2945000       12.34000      0.2915000     -0.6028000      0.4144000
  1 1 1       6   14   22 o    2.934000      0.3796000       3.198000 0.5164000       2.670000      0.5566000      0.5284000      0.7592000
  1 1 1       6   14   23 o    2.566000      0.4493000       2.399000 0.6649000       2.733000      0.6044000     -0.3341000      0.8986000
  1 1 1       6   14   24 o    7.942000      0.2139000       8.164000 0.3103000       7.720000      0.2946000      0.4437000      0.4278000
  1 1 1       6   14   25 o    9.097000      0.2740000       9.007000 0.3829000       9.187000      0.3920000     -0.1804000      0.5480000
  1 1 1       6   14   26 o    5.849000      0.3118000       5.437000 0.4348000       6.262000      0.4470000     -0.8248000      0.6236000
  1 1 1       6   14   27 o    8.780000      0.2209000       9.017000 0.3152000       8.542000      0.3095000      0.4747000      0.4418000
  1 1 1       6   14   28 o    10.04000      0.2254000       9.763000 0.3278000       10.32000      0.3095000     -0.5613000      0.4508000
  1 1 1       6   14   29 o    2.756000      0.6934000       3.075000 1.070000       2.436000      0.8825000      0.6384000       1.387000
  1 1 1       6   14   30 o    3.812000      0.7436000       4.515000 1.081000       3.109000       1.021000       1.406000       1.487000
  1 1 1       6   14   31 o    2.949000      0.5466000       2.751000 0.7994000       3.147000      0.7458000     -0.3962000       1.093000
  1 1 1       6   14   32 o    5.593000      0.3386000       5.163000 0.5156000       6.023000      0.4392000     -0.8596000      0.6773000
  1 1 1       6   14   33 o    4.279000      0.4254000       4.078000 0.6239000       4.480000      0.5783000     -0.4021000      0.8507000
  1 1 1       6   14   34 o    2.648000      0.5790000       2.619000 0.8001000       2.676000      0.8371000     -0.5760000E-01   1.158000
  1 1 1       6   14   35 o    2.541000      0.5481000       3.169000 0.7552000       1.913000      0.7947000       1.256000       1.096000
  1 1 1       6   15    0 o    8.443000      0.1521000       8.483000 0.2099000       8.402000      0.2202000      0.8147000E-01  0.3042000
  1 1 1       6   15    1 o    11.26000      0.2149000       11.24000 0.2462000       11.27000      0.3523000     -0.2815000E-01  0.4298000
  1 1 1       6   15    2 o    21.45000      0.2984000       21.20000 0.4156000       21.69000      0.4283000     -0.4875000      0.5968000
  1 1 1       6   15    3 o    11.49000      0.2642000       11.49000 0.2642000                  ?              ?              ?              ?
  1 1 1       6   15    4 o    5.813000      0.2001000       5.526000 0.2863000       6.099000      0.2795000     -0.5723000      0.4001000
  1 1 1       6   15    5 o    5.909000      0.2415000       5.887000 0.3660000       5.931000      0.3152000     -0.4367000E-01  0.4830000
  1 1 1       6   15    6 o    10.67000      0.3457000       10.87000 0.5894000       10.48000      0.3615000      0.3837000      0.6915000
  1 1 1       6   15    7 o    8.528000      0.4325000       8.977000 0.7527000       8.079000      0.4261000      0.8979000      0.8650000
  1 1 1       6   15    8 o    3.957000      0.6027000       3.474000 1.017000       4.441000      0.6463000     -0.9667000       1.205000
  1 1 1       6   15    9 o    9.332000      0.3722000       9.621000 0.5163000       9.043000      0.5364000      0.5779000      0.7445000
  1 1 1       6   15   10 f    7.606000      0.3527000       7.733000 0.4469000       7.480000      0.5457000      0.2534000      0.7053000
  1 1 1       6   15   11 o    5.912000      0.3717000       5.664000 0.4853000       6.160000      0.5632000     -0.4958000      0.7434000
  1 1 1       6   15   12 o    9.692000      0.3646000       9.692000 0.3646000                  ?              ?              ?              ?
  1 1 1       6   15   13 o    9.966000      0.2524000       10.04000 0.3640000       9.887000      0.3499000      0.1574000      0.5049000
  1 1 1       6   15   14 o    3.314000      0.4900000                  ?       ?   3.314000      0.4900000                  ?              ?
  1 1 1       6   15   15 o    8.435000      0.2141000       8.701000 0.3184000       8.169000      0.2862000      0.5319000      0.4281000
  1 1 1       6   15   16 o    4.542000      0.2628000       4.292000 0.3984000       4.793000      0.3429000     -0.5013000      0.5257000
  1 1 1       6   15   17 o    11.89000      0.2250000       11.68000 0.3344000       12.11000      0.3011000     -0.4354000      0.4500000
  1 1 1       6   15   18 o    7.190000      0.2087000       7.186000 0.3067000       7.193000      0.2833000     -0.7487000E-02  0.4175000
  1 1 1       6   15   19 o    1.868000      0.4653000       2.092000 0.6878000       1.644000      0.6269000      0.4482000      0.9306000
  1 1 1       6   15   20 o    3.121000      0.4093000       2.682000 0.6810000       3.561000      0.4541000     -0.8794000      0.8185000
  1 1 1       6   15   21 o    7.412000      0.2217000       7.171000 0.3333000       7.654000      0.2924000     -0.4828000      0.4434000
  1 1 1       6   15   22 o    3.501000      0.5010000       3.639000 0.6880000       3.363000      0.7285000      0.2758000       1.002000
  1 1 1       6   15   23 o    8.434000      0.2783000       8.025000 0.3976000       8.843000      0.3895000     -0.8179000      0.5566000
  1 1 1       6   15   24 o    5.427000      0.2819000       5.696000 0.4629000       5.158000      0.3219000      0.5382000      0.5638000
  1 1 1       6   15   25 o    10.29000      0.2193000       10.07000 0.3194000       10.52000      0.3007000     -0.4507000      0.4387000
  1 1 1       6   15   26 o    9.828000      0.2260000       9.892000 0.3247000       9.763000      0.3144000      0.1295000      0.4520000
  1 1 1       6   15   27 o    6.849000      0.4160000       7.268000 0.6412000       6.430000      0.5303000      0.8381000      0.8320000
  1 1 1       6   15   28 o    5.245000      0.5137000       5.648000 0.7950000       4.842000      0.6508000      0.8058000       1.027000
  1 1 1       6   15   29 o    2.181000      0.5316000       1.847000 0.7409000       2.515000      0.7626000     -0.6674000       1.063000
  1 1 1       6   15   30 o    2.702000      0.5630000       2.525000 0.7996000       2.879000      0.7927000     -0.3544000       1.126000
  1 1 1       6   15   31 o    2.755000      0.5487000       2.986000 0.7803000       2.524000      0.7716000      0.4624000       1.097000
  1 1 1       6   15   32 o    3.880000      0.4527000       3.921000 0.6632000       3.839000      0.6165000      0.8188000E-01  0.9055000
  1 1 1       6   15   33 o    1.770000      0.5296000       2.175000 0.8339000       1.366000      0.6531000      0.8096000       1.059000
  1 1 1       6   15   34 o    1.952000      0.5579000       1.868000 0.7751000       2.036000      0.8027000     -0.1672000       1.116000
  1 1 1       6   15   35 o    2.213000      0.5869000       2.281000 0.8297000       2.145000      0.8304000      0.1357000       1.174000
  1 1 1       6   16    0 o    9.026000      0.1634000       8.846000 0.2227000       9.207000      0.2392000     -0.3604000      0.3268000
  1 1 1       6   16    1 o    6.405000      0.2078000       6.416000 0.3363000       6.394000      0.2441000      0.2171000E-01  0.4155000
  1 1 1       6   16    2 o    10.96000      0.1857000       10.94000 0.2506000       10.99000      0.2742000     -0.4991000E-01  0.3715000
  1 1 1       6   16    3 o    8.370000      0.1882000       8.376000 0.2450000       8.363000      0.2858000      0.1388000E-01  0.3764000
  1 1 1       6   16    4 o    5.040000      0.2483000       4.713000 0.3701000       5.368000      0.3312000     -0.6558000      0.4966000
  1 1 1       6   16    5 o    1.442000      0.4388000       1.639000 0.6709000       1.245000      0.5658000      0.3934000      0.8777000
  1 1 1       6   16    6 o    8.804000      0.2782000       7.989000 0.4161000       9.618000      0.3695000      -1.629000      0.5564000
  1 1 1       6   16    7 o    3.795000      0.6315000       3.627000 1.043000       3.963000      0.7121000     -0.3358000       1.263000
  1 1 1       6   16    8 o    8.481000      0.4047000       8.918000 0.6801000       8.044000      0.4389000      0.8747000      0.8094000
  1 1 1       6   16    9 o    3.018000      0.7407000       2.791000 1.054000       3.245000       1.041000     -0.4535000       1.481000
  1 1 1       6   16   10 o    11.35000      0.3102000       11.92000 0.4226000       10.78000      0.4542000       1.133000      0.6204000
  1 1 1       6   16   11 o    5.480000      0.4785000       6.020000 0.5367000       4.939000      0.7923000       1.081000      0.9569000
  1 1 1       6   16   12 o    4.642000      0.9355000       4.157000 1.794000       5.126000      0.5327000     -0.9689000       1.871000
  1 1 1       6   16   13 f    8.336000      0.2632000       7.938000 0.3727000       8.734000      0.3716000     -0.7952000      0.5263000
  1 1 1       6   16   14 o    1.785000      0.4751000       1.757000 0.6576000       1.814000      0.6860000     -0.5676000E-01  0.9503000
  1 1 1       6   16   15 o    8.275000      0.2292000       7.821000 0.3284000       8.728000      0.3197000     -0.9071000      0.4583000
  1 1 1       6   16   16 o    4.990000      0.2807000       4.938000 0.4225000       5.043000      0.3698000     -0.1054000      0.5615000
  1 1 1       6   16   17 o    8.357000      0.2262000       8.255000 0.3419000       8.460000      0.2964000     -0.2051000      0.4524000
  1 1 1       6   16   18 o    2.660000      0.4587000       3.187000 0.6189000       2.132000      0.6771000       1.055000      0.9173000
  1 1 1       6   16   19 o    4.604000      0.5239000       4.091000 0.8792000       5.118000      0.5700000      -1.028000       1.048000
  1 1 1       6   16   20 o    9.165000      0.3236000       9.115000 0.4916000       9.216000      0.4209000     -0.1012000      0.6472000
  1 1 1       6   16   21 o    3.068000      0.6392000       3.168000 0.9567000       2.968000      0.8479000      0.2000000       1.278000
  1 1 1       6   16   22 o    4.944000      0.2930000       5.160000 0.4373000       4.729000      0.3902000      0.4309000      0.5861000
  1 1 1       6   16   23 o    7.118000      0.2358000       7.144000 0.3568000       7.091000      0.3084000      0.5231000E-01  0.4716000
  1 1 1       6   16   24 o    3.818000      0.5550000       4.159000 0.8236000       3.478000      0.7441000      0.6815000       1.110000
  1 1 1       6   16   25 o    8.229000      0.3644000       7.610000 0.5686000       8.848000      0.4559000      -1.238000      0.7288000
  1 1 1       6   16   26 o    3.411000      0.6480000       3.452000 1.011000       3.371000      0.8107000      0.8112000E-01   1.296000
  1 1 1       6   16   27 o    2.178000      0.5392000       2.382000 0.7839000       1.974000      0.7407000      0.4073000       1.078000
  1 1 1       6   16   28 o    7.227000      0.2613000       7.213000 0.3802000       7.240000      0.3586000     -0.2703000E-01  0.5227000
  1 1 1       6   16   29 o    4.721000      0.3612000       4.626000 0.5099000       4.816000      0.5118000     -0.1896000      0.7224000
  1 1 1       6   16   30 o    1.884000      0.5446000       1.973000 0.7832000       1.795000      0.7569000      0.1780000       1.089000
  1 1 1       6   16   31 o    2.125000      0.5513000       1.775000 0.7418000       2.475000      0.8157000     -0.7002000       1.103000
  1 1 1       6   16   32 o    2.930000      0.5651000       3.403000 0.7566000       2.457000      0.8396000      0.9465000       1.130000
  1 1 1       6   16   33 o    2.980000      0.5826000       3.200000 0.7958000       2.761000      0.8512000      0.4389000       1.165000
  1 1 1       6   16   34 o    3.313000      0.5866000       3.428000 0.8110000       3.198000      0.8477000      0.2304000       1.173000
  1 1 1       6   17    0 f    10.52000      0.1786000       10.40000 0.2417000       10.63000      0.2631000     -0.2300000      0.3573000
  1 1 1       6   17    1 o    5.952000      0.2103000       5.879000 0.3363000       6.025000      0.2528000     -0.1461000      0.4207000
  1 1 1       6   17    2 o    7.065000      0.1802000       6.986000 0.2427000       7.144000      0.2664000     -0.1583000      0.3604000
  1 1 1       6   17    3 o    3.219000      0.3160000       3.634000 0.3697000       2.805000      0.5125000      0.8299000      0.6319000
  1 1 1       6   17    4 o    3.744000      0.3327000       3.430000 0.5134000       4.058000      0.4234000     -0.6278000      0.6654000
  1 1 1       6   17    5 o    5.156000      0.2970000       5.238000 0.4477000       5.074000      0.3904000      0.1648000      0.5940000
  1 1 1       6   17    6 f    2.972000      0.5634000       2.397000 0.9120000       3.547000      0.6618000      -1.150000       1.127000
  1 1 1       6   17    7 o    4.241000      0.5946000       4.498000 0.9130000       3.984000      0.7619000      0.5143000       1.189000
  1 1 1       6   17    8 f    3.760000      0.6590000       3.657000 1.064000       3.862000      0.7772000     -0.2050000       1.318000
  1 1 1       6   17    9 o    4.024000      0.7741000       3.269000 1.149000       4.779000       1.038000      -1.511000       1.548000
  1 1 1       6   17   10 o    6.869000      0.4255000       7.388000 0.5071000       6.350000      0.6835000       1.038000      0.8511000
  1 1 1       6   17   11 o    4.299000      0.5901000       3.791000 0.8199000       4.807000      0.8489000      -1.016000       1.180000
  1 1 1       6   17   12 o    7.022000      0.3188000       7.527000 0.3911000       6.517000      0.5035000       1.010000      0.6376000
  1 1 1       6   17   13 o    1.373000      0.4512000       1.362000 0.6219000       1.383000      0.6538000     -0.2092000E-01  0.9023000
  1 1 1       6   17   14 o    2.170000      0.5204000       1.984000 0.7196000       2.357000      0.7519000     -0.3736000       1.041000
  1 1 1       6   17   15 o    6.754000      0.8536000       5.720000 1.501000       7.788000      0.8126000      -2.068000       1.707000
  1 1 1       6   17   16 o    3.442000      0.8428000       3.304000 1.305000       3.581000       1.067000     -0.2773000       1.686000
  1 1 1       6   17   17 o    3.847000      0.8735000       4.157000 1.387000       3.537000       1.062000      0.6203000       1.747000
  1 1 1       6   17   18 o    4.773000      0.2994000       4.449000 0.4612000       5.096000      0.3820000     -0.6472000      0.5989000
  1 1 1       6   17   19 o    7.184000      0.2526000       6.800000 0.3920000       7.568000      0.3188000     -0.7688000      0.5053000
  1 1 1       6   17   20 o    11.78000      0.2899000       11.92000 0.3439000       11.65000      0.4669000      0.2631000      0.5799000
  1 1 1       6   17   21 o    4.409000      0.3788000       4.619000 0.6355000       4.198000      0.4123000      0.4211000      0.7575000
  1 1 1       6   17   22 o    5.829000      0.3810000       5.999000 0.5888000       5.659000      0.4837000      0.3394000      0.7620000
  1 1 1       6   17   23 o    9.329000      0.3266000       9.244000 0.4918000       9.415000      0.4299000     -0.1713000      0.6532000
  1 1 1       6   17   24 o    6.679000      0.2652000       6.481000 0.4093000       6.877000      0.3373000     -0.3954000      0.5303000
  1 1 1       6   17   25 o    1.959000      0.4935000       1.495000 0.6651000       2.423000      0.7294000     -0.9282000      0.9871000
  1 1 1       6   17   26 o    6.578000      0.2703000       6.673000 0.3972000       6.484000      0.3667000      0.1882000      0.5405000
  1 1 1       6   17   27 o    3.578000      0.4550000       3.448000 0.6716000       3.709000      0.6140000     -0.2611000      0.9099000
  1 1 1       6   17   28 o    9.243000      0.2464000       9.083000 0.3557000       9.404000      0.3412000     -0.3210000      0.4929000
  1 1 1       6   17   29 o    1.787000      0.5353000       1.816000 0.7622000       1.758000      0.7519000      0.5736000E-01   1.071000
  1 1 1       6   17   30 o    2.810000      0.5898000       2.878000 0.8314000       2.742000      0.8366000      0.1359000       1.180000
  1 1 1       6   17   31 o    2.565000      0.5834000       2.892000 0.8281000       2.238000      0.8222000      0.6538000       1.167000
  1 1 1       6   17   32 o    2.155000      0.5750000       2.551000 0.8561000       1.758000      0.7678000      0.7930000       1.150000
  1 1 1       6   17   33 o    3.407000      0.5498000       4.004000 0.6767000       2.810000      0.8668000       1.194000       1.100000
  1 1 1       6   17   34 o    2.805000      0.6163000       3.127000 0.8602000       2.482000      0.8827000      0.6443000       1.233000
  1 1 1       6   18    0 o    6.518000      0.1757000       6.603000 0.2316000       6.433000      0.2642000      0.1707000      0.3514000
  1 1 1       6   18    1 o    5.515000      0.1980000       5.649000 0.2660000       5.381000      0.2933000      0.2679000      0.3960000
  1 1 1       6   18    2 o    5.783000      0.1999000       5.470000 0.2710000       6.095000      0.2940000     -0.6257000      0.3999000
  1 1 1       6   18    3 o    2.359000      0.4163000       2.751000 0.5504000       1.967000      0.6248000      0.7844000      0.8327000
  1 1 1       6   18    4 o    1.689000      0.4756000       2.049000 0.7460000       1.330000      0.5903000      0.7189000      0.9513000
  1 1 1       6   18    5 o    2.347000      0.5077000       2.122000 0.7543000       2.572000      0.6798000     -0.4501000       1.015000
  1 1 1       6   18    6 o    4.171000      0.5169000       4.234000 0.8135000       4.108000      0.6380000      0.1263000       1.034000
  1 1 1       6   18    7 o    5.710000      0.5658000       5.001000 0.9810000       6.420000      0.5640000      -1.420000       1.132000
  1 1 1       6   18    8 o    6.574000      0.4706000       7.131000 0.7060000       6.018000      0.6223000       1.113000      0.9411000
  1 1 1       6   18    9 o    4.041000       1.720000       4.041000 1.720000                  ?              ?              ?              ?
  1 1 1       6   18   10 f    3.014000      0.9083000       3.158000 1.330000       2.871000       1.237000      0.2872000       1.817000
  1 1 1       6   18   11 o    3.089000      0.8336000       1.979000 0.9199000       4.199000       1.391000      -2.220000       1.667000
  1 1 1       6   18   12 o    3.998000      0.9091000       3.043000 1.188000       4.954000       1.376000      -1.911000       1.818000
  1 1 1       6   18   13 o    2.603000      0.8557000       2.928000 1.326000       2.279000       1.082000      0.6488000       1.711000
  1 1 1       6   18   14 o    4.708000      0.3901000       4.257000 0.6124000       5.159000      0.4833000     -0.9018000      0.7801000
  1 1 1       6   18   15 o    8.868000      0.2629000       9.046000 0.3931000       8.690000      0.3492000      0.3563000      0.5258000
  1 1 1       6   18   16 o    9.468000      0.2729000       9.233000 0.3809000       9.703000      0.3909000     -0.4702000      0.5458000
  1 1 1       6   18   17 o    5.944000      0.2855000       5.862000 0.4360000       6.025000      0.3687000     -0.1628000      0.5710000
  1 1 1       6   18   18 o    7.663000      0.2742000       7.755000 0.3963000       7.571000      0.3790000      0.1844000      0.5484000
  1 1 1       6   18   19 o    6.488000      0.3020000       6.258000 0.4576000       6.719000      0.3941000     -0.4611000      0.6040000
  1 1 1       6   18   20 o    13.43000      0.3228000       13.31000 0.4679000       13.54000      0.4448000     -0.2279000      0.6455000
  1 1 1       6   18   21 o    7.084000      0.2596000       6.964000 0.3982000       7.204000      0.3332000     -0.2399000      0.5192000
  1 1 1       6   18   22 o    9.231000      0.2379000       8.846000 0.3545000       9.617000      0.3174000     -0.7713000      0.4758000
  1 1 1       6   18   23 o    11.05000      0.2405000       10.84000 0.3567000       11.25000      0.3228000     -0.4088000      0.4811000
  1 1 1       6   18   24 o    3.370000      0.4959000       2.833000 0.8295000       3.906000      0.5438000      -1.073000      0.9919000
  1 1 1       6   18   25 f    8.843000      0.2487000       8.811000 0.3641000       8.875000      0.3390000     -0.6402000E-01  0.4975000
  1 1 1       6   18   26 o    2.844000      0.5529000       2.775000 0.8243000       2.913000      0.7370000     -0.1383000       1.106000
  1 1 1       6   18   27 o    3.055000      0.5130000       2.406000 0.8075000       3.703000      0.6330000      -1.296000       1.026000
  1 1 1       6   18   28 o    5.141000      0.3520000       5.290000 0.4938000       4.992000      0.5017000      0.2985000      0.7040000
  1 1 1       6   18   29 o    1.991000      0.5639000       1.810000 0.7712000       2.172000      0.8229000     -0.3623000       1.128000
  1 1 1       6   18   30 o    2.300000      0.5831000       2.707000 0.8522000       1.893000      0.7962000      0.8148000       1.166000
  1 1 1       6   18   31 o    3.026000      0.5976000       2.885000 0.9005000       3.166000      0.7858000     -0.2811000       1.195000
  1 1 1       6   18   32 o    2.336000      0.6276000       2.337000 0.9072000       2.334000      0.8675000      0.3231000E-02   1.255000
  1 1 1       6   18   33 o    2.290000      0.6111000       2.066000 0.8436000       2.514000      0.8844000     -0.4479000       1.222000
  1 1 1       6   19    0 o    10.76000      0.2495000       10.76000 0.3516000       10.76000      0.3542000      0.8297000E-04  0.4991000
  1 1 1       6   19    1 o    4.185000      0.2848000       4.459000 0.3800000       3.910000      0.4244000      0.5491000      0.5697000
  1 1 1       6   19    2 o    5.922000      0.2253000       6.275000 0.3182000       5.568000      0.3192000      0.7068000      0.4507000
  1 1 1       6   19    3 o    3.495000      0.3778000       3.451000 0.5523000       3.539000      0.5157000     -0.8800000E-01  0.7557000
  1 1 1       6   19    4 o    2.504000      0.5129000       2.597000 0.7598000       2.412000      0.6893000      0.1858000       1.026000
  1 1 1       6   19    5 o    5.185000      0.3267000       4.934000 0.5338000       5.437000      0.3767000     -0.5027000      0.6534000
  1 1 1       6   19    6 f    6.041000      0.4447000       6.625000 0.7093000       5.456000      0.5365000       1.169000      0.8894000
  1 1 1       6   19    7 o    5.349000      0.5580000       5.725000 0.8621000       4.973000      0.7087000      0.7525000       1.116000
  1 1 1       6   19    8 o    7.164000      0.4510000       6.506000 0.7435000       7.823000      0.5108000      -1.317000      0.9021000
  1 1 1       6   19    9 o    5.526000      0.5295000       5.778000 0.6971000       5.274000      0.7974000      0.5030000       1.059000
  1 1 1       6   19   10 o    2.432000      0.6505000       2.737000 0.8862000       2.127000      0.9526000      0.6105000       1.301000
  1 1 1       6   19   11 o    2.145000      0.6508000       2.178000 0.8615000       2.112000      0.9758000      0.6560000E-01   1.302000
  1 1 1       6   19   12 o    5.449000      0.3951000       5.584000 0.4652000       5.314000      0.6387000      0.2695000      0.7901000
  1 1 1       6   19   13 o    3.580000      0.7662000       3.580000 0.7662000                  ?              ?              ?              ?
  1 1 1       6   19   14 o    3.298000      0.5435000       4.128000 0.6437000       2.468000      0.8758000       1.660000       1.087000
  1 1 1       6   19   15 o    4.395000      0.5463000                  ?       ?   4.395000      0.5463000                  ?              ?
  1 1 1       6   19   16 o    6.163000      0.3114000       6.494000 0.4273000       5.832000      0.4531000      0.6622000      0.6228000
  1 1 1       6   19   17 o    4.526000      0.3794000       5.147000 0.5124000       3.906000      0.5596000       1.241000      0.7588000
  1 1 1       6   19   18 o    4.485000      0.3579000       5.136000 0.4935000       3.835000      0.5186000       1.300000      0.7159000
  1 1 1       6   19   19 o    5.676000      0.3259000       5.626000 0.5058000       5.727000      0.4113000     -0.1016000      0.6519000
  1 1 1       6   19   20 o    9.155000      0.2655000       9.422000 0.4073000       8.888000      0.3406000      0.5343000      0.5309000
  1 1 1       6   19   21 o    2.164000      0.5588000       2.534000 0.8462000       1.794000      0.7299000      0.7396000       1.118000
  1 1 1       6   19   22 o    3.642000      0.4729000       3.260000 0.7729000       4.023000      0.5450000     -0.7627000      0.9457000
  1 1 1       6   19   23 o    4.171000      0.4138000       4.287000 0.6115000       4.054000      0.5577000      0.2332000      0.8276000
  1 1 1       6   19   24 o    4.547000      0.4023000       4.559000 0.6237000       4.535000      0.5085000      0.2399000E-01  0.8047000
  1 1 1       6   19   25 o    9.339000      0.2604000       9.784000 0.3879000       8.895000      0.3476000      0.8897000      0.5209000
  1 1 1       6   19   26 o    3.486000      0.5483000       3.592000 0.8139000       3.379000      0.7349000      0.2130000       1.097000
  1 1 1       6   19   27 o    6.811000      0.3214000       6.266000 0.4985000       7.355000      0.4058000      -1.089000      0.6428000
  1 1 1       6   19   28 o    4.266000      0.4457000       4.437000 0.6297000       4.096000      0.6309000      0.3409000      0.8913000
  1 1 1       6   19   29 o    2.619000      0.5910000       2.947000 0.8309000       2.292000      0.8408000      0.6542000       1.182000
  1 1 1       6   19   30 o    2.947000      0.6219000       2.969000 0.9129000       2.924000      0.8447000      0.4501000E-01   1.244000
  1 1 1       6   19   31 o    3.524000      0.5967000       4.074000 0.8115000       2.973000      0.8752000       1.101000       1.193000
  1 1 1       6   19   32 o    1.915000      0.5848000       1.940000 0.8393000       1.890000      0.8145000      0.4998000E-01   1.170000
  1 1 1       6   19   33 o    2.261000      0.6853000       2.470000 1.015000       2.052000      0.9208000      0.4173000       1.371000
  1 1 1       6   20    0 o    5.184000      0.3012000       5.447000 0.5228000       4.921000      0.2993000      0.5255000      0.6024000
  1 1 1       6   20    1 o    3.908000      0.2589000       3.452000 0.3595000       4.365000      0.3725000     -0.9131000      0.5177000
  1 1 1       6   20    2 o    2.207000      0.4079000       2.093000 0.5589000       2.321000      0.5944000     -0.2280000      0.8159000
  1 1 1       6   20    3 o    3.857000      0.2874000       3.523000 0.4463000       4.192000      0.3622000     -0.6683000      0.5748000
  1 1 1       6   20    4 o    3.160000      0.7567000       3.888000 1.393000       2.431000      0.5908000       1.457000       1.513000
  1 1 1       6   20    5 o    3.436000      0.8916000       4.333000 1.389000       2.539000       1.119000       1.795000       1.783000
  1 1 1       6   20    7 o    3.650000      0.9633000       3.947000 1.301000       3.354000       1.421000      0.5935000       1.927000
  1 1 1       6   20    8 o    3.193000      0.9646000       2.782000 1.202000       3.604000       1.509000     -0.8224000       1.929000
  1 1 1       6   20    9 o    4.895000      0.8518000       4.970000 1.045000       4.819000       1.345000      0.1509000       1.704000
  1 1 1       6   20   10 o    3.580000      0.8123000       3.887000 0.8987000       3.273000       1.353000      0.6147000       1.625000
  1 1 1       6   20   11 o    2.428000      0.7506000       2.113000 0.9041000       2.744000       1.199000     -0.6312000       1.501000
  1 1 1       6   20   12 o    4.680000      0.5552000       4.356000 0.7804000       5.004000      0.7899000     -0.6476000       1.110000
  1 1 1       6   20   13 o    3.356000      0.7941000       3.356000 0.7941000                  ?              ?              ?              ?
  1 1 1       6   20   14 o    6.277000      0.3612000       6.568000 0.4866000       5.986000      0.5339000      0.5825000      0.7224000
  1 1 1       6   20   15 o    6.265000      0.4520000                  ?       ?   6.265000      0.4520000                  ?              ?
  1 1 1       6   20   16 o    3.354000      0.5261000       3.600000 0.7122000       3.108000      0.7746000      0.4916000       1.052000
  1 1 1       6   20   17 o    7.155000      0.3019000       7.049000 0.4492000       7.261000      0.4036000     -0.2117000      0.6039000
  1 1 1       6   20   18 o    6.375000      0.3150000       6.273000 0.4962000       6.478000      0.3881000     -0.2045000      0.6300000
  1 1 1       6   20   19 o    10.53000      0.2640000       10.66000 0.4024000       10.41000      0.3419000      0.2436000      0.5280000
  1 1 1       6   20   20 o    7.393000      0.2935000       7.363000 0.4545000       7.424000      0.3715000     -0.6086000E-01  0.5870000
  1 1 1       6   20   21 f    10.70000      0.2698000       10.64000 0.4121000       10.76000      0.3485000     -0.1255000      0.5397000
  1 1 1       6   20   22 o    1.893000      0.5359000       1.578000 0.7317000       2.208000      0.7831000     -0.6300000       1.072000
  1 1 1       6   20   23 o    6.996000      0.2948000       6.975000 0.4472000       7.018000      0.3843000     -0.4321000E-01  0.5896000
  1 1 1       6   20   24 o    10.06000      0.3209000       10.07000 0.5422000       10.04000      0.3432000      0.2839000E-01  0.6417000
  1 1 1       6   20   25 o    7.072000      0.3093000       7.077000 0.4694000       7.066000      0.4030000      0.1110000E-01  0.6187000
  1 1 1       6   20   26 o    4.027000      0.5278000       3.548000 0.8612000       4.507000      0.6103000     -0.9595000       1.056000
  1 1 1       6   20   27 o    2.621000      0.6289000       2.500000 0.9364000       2.742000      0.8398000     -0.2422000       1.258000
  1 1 1       6   20   28 o    3.543000      0.5809000       3.233000 0.8978000       3.854000      0.7372000     -0.6212000       1.162000
  1 1 1       6   20   29 o    2.929000      0.5884000       2.116000 0.8709000       3.741000      0.7914000      -1.625000       1.177000
  1 1 1       6   20   30 o    4.000000      0.5419000       4.181000 0.7698000       3.820000      0.7630000      0.3607000       1.084000
  1 1 1       6   20   31 o    3.135000      0.6593000       3.099000 0.9781000       3.171000      0.8845000     -0.7139000E-01   1.319000
  1 1 1       6   20   32 o    2.342000      0.6298000       2.554000 0.9049000       2.131000      0.8763000      0.4225000       1.260000
  1 1 1       6   21    0 o    1.874000      0.4537000       1.816000 0.6221000       1.932000      0.6605000     -0.1152000      0.9074000
  1 1 1       6   21    1 o    3.795000      0.3008000       3.529000 0.4267000       4.062000      0.4240000     -0.5333000      0.6016000
  1 1 1       6   21    2 o    4.637000      0.2873000       4.934000 0.3618000       4.341000      0.4463000      0.5934000      0.5745000
  1 1 1       6   21    3 o    4.414000      0.3544000       4.009000 0.5668000       4.820000      0.4256000     -0.8106000      0.7088000
  1 1 1       6   21    4 o    3.251000      0.4929000       2.880000 0.8154000       3.622000      0.5540000     -0.7427000      0.9858000
  1 1 1       6   21    5 o    5.128000      0.3598000       5.164000 0.5689000       5.093000      0.4408000      0.7028000E-01  0.7197000
  1 1 1       6   21    6 o    8.983000      0.3400000       9.129000 0.5076000       8.837000      0.4526000      0.2921000      0.6801000
  1 1 1       6   21    7 f    3.920000      0.6981000       3.569000 1.165000       4.271000      0.7700000     -0.7011000       1.396000
  1 1 1       6   21    8 o    2.120000      0.6677000       2.314000 1.018000       1.926000      0.8640000      0.3873000       1.335000
  1 1 1       6   21    9 o    3.422000      0.7409000       3.363000 1.092000       3.481000       1.002000     -0.1185000       1.482000
  1 1 1       6   21   10 o    5.209000      0.5863000       5.856000 0.6865000       4.563000      0.9507000       1.293000       1.173000
  1 1 1       6   21   11 o    6.845000      0.5567000       8.095000 0.5725000       5.594000      0.9548000       2.501000       1.113000
  1 1 1       6   21   12 o    2.853000      0.6989000       2.536000 0.9153000       3.169000       1.057000     -0.6329000       1.398000
  1 1 1       6   21   13 o    3.859000      0.5628000       2.840000 0.9063000       4.877000      0.6674000      -2.037000       1.126000
  1 1 1       6   21   14 o    2.612000      0.6248000       2.757000 0.8906000       2.466000      0.8766000      0.2910000       1.250000
  1 1 1       6   21   15 o    3.356000      0.5775000       3.042000 0.8583000       3.669000      0.7730000     -0.6271000       1.155000
  1 1 1       6   21   16 o    2.390000      0.5999000       2.243000 0.8557000       2.538000      0.8409000     -0.2950000       1.200000
  1 1 1       6   21   17 o    3.780000      0.5091000       4.073000 0.7018000       3.487000      0.7376000      0.5859000       1.018000
  1 1 1       6   21   18 o    2.769000      0.5951000       2.776000 0.8686000       2.762000      0.8138000      0.1341000E-01   1.190000
  1 1 1       6   21   19 o    3.476000      0.5026000       2.970000 0.8219000       3.982000      0.5786000      -1.012000       1.005000
  1 1 1       6   21   20 o    3.597000      0.5137000       3.635000 0.8002000       3.560000      0.6444000      0.7474000E-01   1.027000
  1 1 1       6   21   21 o    7.599000      0.3125000       7.328000 0.4860000       7.869000      0.3931000     -0.5414000      0.6251000
  1 1 1       6   21   22 o    2.985000      0.6032000       3.176000 0.9091000       2.795000      0.7931000      0.3804000       1.206000
  1 1 1       6   21   23 o    7.710000      0.3051000       7.351000 0.4774000       8.069000      0.3800000     -0.7179000      0.6102000
  1 1 1       6   21   24 o    4.937000      0.4356000       4.287000 0.7391000       5.588000      0.4614000      -1.301000      0.8713000
  1 1 1       6   21   25 o    2.489000      0.6088000       2.160000 0.8840000       2.817000      0.8373000     -0.6564000       1.218000
  1 1 1       6   21   26 o    2.739000      0.6181000       3.319000 0.9027000       2.160000      0.8446000       1.159000       1.236000
  1 1 1       6   21   27 o    2.195000      0.6228000       2.330000 0.9269000       2.060000      0.8319000      0.2700000       1.246000
  1 1 1       6   21   28 o    2.663000      0.6598000       2.958000 0.9746000       2.367000      0.8897000      0.5912000       1.320000
  1 1 1       6   21   29 o    3.909000      0.5899000       3.540000 0.9422000       4.277000      0.7102000     -0.7375000       1.180000
  1 1 1       6   21   30 o    3.332000      0.6516000       3.789000 0.9382000       2.874000      0.9044000      0.9152000       1.303000
  1 1 1       6   21   31 o    2.600000      0.6613000       2.353000 0.9125000       2.848000      0.9575000     -0.4952000       1.323000
  1 1 1       6   22    0 o    3.035000      0.3754000       3.037000 0.4633000       3.033000      0.5908000      0.4777000E-02  0.7508000
  1 1 1       6   22    1 o    2.391000      0.4333000       2.081000 0.6182000       2.702000      0.6074000     -0.6212000      0.8667000
  1 1 1       6   22    2 o    3.530000      0.3617000       3.358000 0.5241000       3.701000      0.4986000     -0.3434000      0.7234000
  1 1 1       6   22    3 o    1.610000      0.4893000       1.826000 0.7470000       1.394000      0.6321000      0.4314000      0.9786000
  1 1 1       6   22    4 o    1.936000      0.5203000       2.473000 0.8172000       1.399000      0.6441000       1.074000       1.041000
  1 1 1       6   22    5 o    5.933000      0.3418000       5.416000 0.5353000       6.451000      0.4252000      -1.036000      0.6836000
  1 1 1       6   22    6 o    3.920000      0.6101000       3.321000 1.017000       4.519000      0.6737000      -1.198000       1.220000
  1 1 1       6   22    7 o    2.821000      0.7074000       2.417000 1.034000       3.224000      0.9660000     -0.8072000       1.415000
  1 1 1       6   22    8 o    4.140000      0.7524000       3.785000 1.192000       4.496000      0.9185000     -0.7112000       1.505000
  1 1 1       6   22    9 o    4.553000      0.6552000       4.365000 0.9770000       4.741000      0.8734000     -0.3754000       1.310000
  1 1 1       6   22   10 o    6.096000      0.5472000       6.591000 0.6489000       5.601000      0.8812000      0.9900000       1.094000
  1 1 1       6   22   11 o    3.057000      0.7921000       3.333000 1.099000       2.780000       1.141000      0.5530000       1.584000
  1 1 1       6   22   12 o    2.150000      0.6548000       2.088000 0.8856000       2.212000      0.9647000     -0.1243000       1.310000
  1 1 1       6   22   13 o    4.981000      0.5178000       5.440000 0.5699000       4.522000      0.8646000      0.9184000       1.036000
  1 1 1       6   22   14 o    4.276000      0.6296000       5.272000 0.6620000       3.281000       1.071000       1.991000       1.259000
  1 1 1       6   22   15 o    2.215000      0.6269000       2.154000 0.8758000       2.275000      0.8972000     -0.1214000       1.254000
  1 1 1       6   22   16 o    3.476000      0.5481000       2.576000 0.8993000       4.375000      0.6268000      -1.799000       1.096000
  1 1 1       6   22   17 o    5.096000      0.4106000       5.282000 0.5858000       4.911000      0.5754000      0.3711000      0.8212000
  1 1 1       6   22   18 o    3.287000      0.5458000       2.703000 0.8516000       3.871000      0.6828000      -1.168000       1.092000
  1 1 1       6   22   19 o    4.061000      0.4895000       3.451000 0.8049000       4.672000      0.5574000      -1.221000      0.9791000
  1 1 1       6   22   20 f    5.640000      0.3688000       6.043000 0.5294000       5.236000      0.5137000      0.8069000      0.7376000
  1 1 1       6   22   21 o    2.753000      0.6213000       2.794000 0.9200000       2.713000      0.8352000      0.8075000E-01   1.243000
  1 1 1       6   22   22 o    2.549000      0.6194000       2.408000 0.9100000       2.691000      0.8406000     -0.2835000       1.239000
  1 1 1       6   22   23 o    2.027000      0.5957000       1.941000 0.8546000       2.113000      0.8301000     -0.1724000       1.191000
  1 1 1       6   22   24 o    6.588000      0.3716000       6.117000 0.5890000       7.058000      0.4533000     -0.9418000      0.7433000
  1 1 1       6   22   25 o    2.523000      0.6470000       2.945000 0.9780000       2.101000      0.8472000      0.8442000       1.294000
  1 1 1       6   22   26 o    3.107000      0.6438000       3.509000 0.9424000       2.706000      0.8772000      0.8028000       1.288000
  1 1 1       6   22   27 o    6.886000      0.3680000       7.045000 0.5495000       6.728000      0.4895000      0.3168000      0.7359000
  1 1 1       6   22   28 o    2.559000      0.6685000       2.414000 0.9761000       2.703000      0.9138000     -0.2885000       1.337000
  1 1 1       6   22   29 o    3.368000      0.7905000       2.899000 0.9868000       3.838000       1.235000     -0.9387000       1.581000
  1 1 1       6   22   30 o    4.616000      0.8127000       4.805000 1.128000       4.426000       1.171000      0.3786000       1.625000
  1 1 1       6   23    0 o    2.489000      0.4951000       2.290000 0.6883000       2.689000      0.7120000     -0.3999000      0.9903000
  1 1 1       6   23    1 o    4.271000      0.3387000       4.311000 0.4409000       4.232000      0.5144000      0.7894000E-01  0.6774000
  1 1 1       6   23    2 o    3.429000      0.4368000       2.767000 0.6790000       4.091000      0.5497000      -1.324000      0.8736000
  1 1 1       6   23    3 o    2.530000      0.5269000       1.958000 0.7852000       3.102000      0.7028000      -1.144000       1.054000
  1 1 1       6   23    4 o    4.240000      0.4522000       4.678000 0.6085000       3.802000      0.6690000      0.8762000      0.9043000
  1 1 1       6   23    5 o    3.328000      0.5830000       3.796000 0.8073000       2.860000      0.8413000      0.9361000       1.166000
  1 1 1       6   23    6 o    5.322000      0.5324000       4.686000 0.8862000       5.959000      0.5904000      -1.272000       1.065000
  1 1 1       6   23    7 o    4.270000      0.7391000       4.404000 1.105000       4.137000      0.9821000      0.2674000       1.478000
  1 1 1       6   23    8 o    2.424000      0.7321000       2.636000 1.107000       2.212000      0.9582000      0.4238000       1.464000
  1 1 1       6   23    9 o    5.347000      0.6076000       5.369000 0.8849000       5.326000      0.8330000      0.4229000E-01   1.215000
  1 1 1       6   23   10 o    4.985000      0.8277000       6.377000 0.8016000       3.593000       1.448000       2.784000       1.655000
  1 1 1       6   23   11 o    4.504000      0.7924000       5.111000 0.9414000       3.897000       1.275000       1.214000       1.585000
  1 1 1       6   23   12 o    8.263000      0.4127000       8.572000 0.5546000       7.955000      0.6113000      0.6169000      0.8254000
  1 1 1       6   23   13 o    7.237000      0.3905000       7.557000 0.4802000       6.917000      0.6160000      0.6395000      0.7810000
  1 1 1       6   23   14 o    4.024000      0.5830000       5.110000 0.6281000       2.937000      0.9823000       2.173000       1.166000
  1 1 1       6   23   15 o    3.636000      0.5935000       2.721000 0.9429000       4.551000      0.7212000      -1.831000       1.187000
  1 1 1       6   23   16 o    3.776000      0.5489000       3.391000 0.8404000       4.161000      0.7064000     -0.7705000       1.098000
  1 1 1       6   23   17 o    3.957000      0.5108000       3.901000 0.7289000       4.014000      0.7158000     -0.1136000       1.022000
  1 1 1       6   23   18 o    4.532000      0.4604000       4.323000 0.6933000       4.742000      0.6060000     -0.4193000      0.9208000
  1 1 1       6   23   19 o    7.744000      0.3366000       7.911000 0.5149000       7.578000      0.4337000      0.3334000      0.6732000
  1 1 1       6   23   20 o    6.482000      0.3502000       6.358000 0.5252000       6.607000      0.4634000     -0.2495000      0.7004000
  1 1 1       6   23   21 o    5.904000      0.3903000       5.900000 0.5916000       5.907000      0.5093000     -0.7502000E-02  0.7806000
  1 1 1       6   23   22 o    7.298000      0.3502000       6.957000 0.5568000       7.640000      0.4248000     -0.6827000      0.7004000
  1 1 1       6   23   23 o    5.953000      0.4853000       5.391000 0.8445000       6.516000      0.4785000      -1.125000      0.9707000
  1 1 1       6   23   24 o    6.272000      0.4198000       6.443000 0.6482000       6.100000      0.5336000      0.3421000      0.8396000
  1 1 1       6   23   25 o    2.255000      0.6471000       2.641000 0.9958000       1.870000      0.8267000      0.7702000       1.294000
  1 1 1       6   23   26 f    5.570000      0.4450000       5.374000 0.7114000       5.765000      0.5346000     -0.3908000      0.8899000
  1 1 1       6   23   27 o    3.885000      0.8555000       3.984000 1.222000       3.785000       1.198000      0.1981000       1.711000
  1 1 1       6   23   28 o    3.481000      0.8259000       4.353000 1.227000       2.610000       1.106000       1.743000       1.652000
  1 1 1       6   23   29 o    2.091000      0.6366000       2.138000 0.9259000       2.043000      0.8739000      0.9589000E-01   1.273000
  1 1 1       6   23   30 o    2.322000       1.036000       2.322000 1.036000                  ?              ?              ?              ?
  1 1 1       6   24    0 o    7.943000      0.2400000       7.894000 0.3290000       7.991000      0.3494000     -0.9759000E-01  0.4799000
  1 1 1       6   24    1 o    5.695000      0.2951000       5.318000 0.4114000       6.072000      0.4231000     -0.7541000      0.5901000
  1 1 1       6   24    2 o    13.66000      0.3141000       13.48000 0.4421000       13.83000      0.4462000     -0.3587000      0.6281000
  1 1 1       6   24    3 o    2.487000      0.5341000       1.723000 0.7490000       3.251000      0.7617000      -1.527000       1.068000
  1 1 1       6   24    4 o    2.352000      0.5951000       2.434000 0.8467000       2.270000      0.8364000      0.1640000       1.190000
  1 1 1       6   24    5 o    6.429000      0.3847000       6.151000 0.5986000       6.708000      0.4835000     -0.5569000      0.7694000
  1 1 1       6   24    6 o    2.700000      0.6975000       2.861000 1.044000       2.538000      0.9257000      0.3226000       1.395000
  1 1 1       6   24    7 o    6.617000      0.5435000       6.789000 0.8224000       6.444000      0.7108000      0.3449000       1.087000
  1 1 1       6   24    8 o    4.850000      0.7217000       4.392000 1.159000       5.307000      0.8605000     -0.9147000       1.443000
  1 1 1       6   24    9 o    8.589000      0.4165000       8.239000 0.6244000       8.939000      0.5514000     -0.7001000      0.8331000
  1 1 1       6   24   10 o    2.476000      0.7452000       2.091000 0.9554000       2.860000       1.144000     -0.7683000       1.490000
  1 1 1       6   24   11 o    3.309000      0.8181000       3.496000 1.085000       3.122000       1.225000      0.3744000       1.636000
  1 1 1       6   24   12 o    3.557000      0.6956000       2.594000 0.9448000       4.519000       1.021000      -1.925000       1.391000
  1 1 1       6   24   13 o    1.668000      0.5343000       1.957000 0.8216000       1.380000      0.6834000      0.5770000       1.069000
  1 1 1       6   24   14 o    5.569000      0.5752000       5.569000 0.5752000                  ?              ?              ?              ?
  1 1 1       6   24   15 o    2.672000      0.6999000       2.246000 0.9344000       3.098000       1.042000     -0.8516000       1.400000
  1 1 1       6   24   16 o    4.301000      0.7714000                  ?       ?   4.301000      0.7714000                  ?              ?
  1 1 1       6   24   17 o    2.694000      0.6232000       2.297000 0.8756000       3.090000      0.8870000     -0.7929000       1.246000
  1 1 1       6   24   18 o    10.41000      0.3220000       10.61000 0.4960000       10.20000      0.4107000      0.4117000      0.6440000
  1 1 1       6   24   19 o    10.86000      0.3488000       11.12000 0.5143000       10.59000      0.4712000      0.5322000      0.6975000
  1 1 1       6   24   20 f    4.922000      0.4928000       4.168000 0.8209000       5.677000      0.5453000      -1.509000      0.9855000
  1 1 1       6   24   21 o    1.845000      0.5767000       1.886000 0.8500000       1.805000      0.7797000      0.8147000E-01   1.153000
  1 1 1       6   24   22 o    1.952000      0.6038000       2.109000 0.9093000       1.796000      0.7945000      0.3136000       1.208000
  1 1 1       6   24   23 o    4.770000      0.8858000       3.883000 1.396000       5.656000       1.091000      -1.773000       1.772000
  1 1 1       6   24   24 o    3.018000      0.8641000       2.569000 1.123000       3.467000       1.314000     -0.8974000       1.728000
  1 1 1       6   24   25 o    3.188000      0.8739000       2.460000 1.132000       3.916000       1.332000      -1.456000       1.748000
  1 1 1       6   24   26 o    2.757000      0.7149000       2.492000 1.021000       3.023000       1.000000     -0.5311000       1.430000
  1 1 1       6   24   27 o    3.719000      0.6873000       3.881000 1.002000       3.558000      0.9408000      0.3233000       1.375000
  1 1 1       6   24   28 o    2.128000      0.6791000       2.465000 1.096000       1.791000      0.8018000      0.6747000       1.358000
  1 1 1       6   24   29 o    3.265000      0.8358000       3.286000 1.222000       3.244000       1.140000      0.4233000E-01   1.672000
  1 1 1       6   25    0 f    9.589000      0.2637000       9.286000 0.3413000       9.892000      0.4021000     -0.6060000      0.5274000
  1 1 1       6   25    1 o    9.303000      0.2615000       9.268000 0.3504000       9.337000      0.3884000     -0.6899000E-01  0.5231000
  1 1 1       6   25    2 o    7.156000      0.3031000       7.479000 0.4144000       6.834000      0.4425000      0.6449000      0.6063000
  1 1 1       6   25    3 o    3.993000      0.5283000       4.202000 0.7564000       3.784000      0.7378000      0.4182000       1.057000
  1 1 1       6   25    4 o    9.229000      0.3178000       8.897000 0.4754000       9.561000      0.4218000     -0.6639000      0.6356000
  1 1 1       6   25    5 o    10.02000      0.3092000       10.35000 0.4468000       9.690000      0.4276000      0.6574000      0.6185000
  1 1 1       6   25    6 o    2.959000      0.6438000       2.036000 0.9036000       3.882000      0.9173000      -1.846000       1.288000
  1 1 1       6   25    7 o    3.854000      0.7702000       4.612000 1.101000       3.096000       1.078000       1.516000       1.540000
  1 1 1       6   25    8 o    4.300000      0.7903000       3.897000 1.193000       4.703000       1.037000     -0.8060000       1.581000
  1 1 1       6   25    9 o    2.871000      0.7604000       2.485000 1.040000       3.258000       1.109000     -0.7730000       1.521000
  1 1 1       6   25   10 o    5.150000      0.6964000       5.293000 0.9387000       5.007000       1.029000      0.2865000       1.393000
  1 1 1       6   25   11 o    4.902000      0.7122000       3.766000 1.055000       6.038000      0.9566000      -2.272000       1.424000
  1 1 1       6   25   12 o    4.565000      0.6421000       4.921000 0.7260000       4.210000       1.059000      0.7107000       1.284000
  1 1 1       6   25   13 o    3.570000      0.6628000       3.947000 0.8328000       3.192000       1.031000      0.7553000       1.326000
  1 1 1       6   25   14 o    2.358000      0.9251000       2.358000 0.9251000                  ?              ?              ?              ?
  1 1 1       6   25   15 o    4.114000      0.6181000       4.928000 0.6814000       3.301000       1.031000       1.627000       1.236000
  1 1 1       6   25   16 o    5.715000      0.5667000                  ?       ?   5.715000      0.5667000                  ?              ?
  1 1 1       6   25   17 o    5.008000      0.4771000       4.514000 0.7519000       5.501000      0.5873000     -0.9872000      0.9541000
  1 1 1       6   25   18 o    7.858000      0.3931000       8.047000 0.5861000       7.670000      0.5240000      0.3763000      0.7862000
  1 1 1       6   25   19 o    3.700000      0.7860000       2.166000 1.023000       5.234000       1.194000      -3.068000       1.572000
  1 1 1       6   25   20 o    3.244000      0.8798000       2.470000 1.145000       4.019000       1.336000      -1.549000       1.760000
  1 1 1       6   25   22 o    1.697000      0.5500000       1.505000 0.7284000       1.889000      0.8243000     -0.3843000       1.100000
  1 1 1       6   25   23 o    3.263000      0.6873000       3.388000 1.008000       3.138000      0.9349000      0.2501000       1.375000
  1 1 1       6   25   24 o    1.934000      0.6135000       2.241000 0.9578000       1.627000      0.7670000      0.6139000       1.227000
  1 1 1       6   25   25 o    2.610000      0.7550000       2.756000 1.133000       2.463000      0.9979000      0.2937000       1.510000
  1 1 1       6   25   26 o    2.656000      0.7683000       3.047000 1.176000       2.265000      0.9897000      0.7825000       1.537000
  1 1 1       6   25   27 o    2.705000      0.7567000       2.364000 1.066000       3.045000       1.074000     -0.6813000       1.513000
  1 1 1       6   25   28 o    3.840000      0.7157000       3.409000 1.104000       4.271000      0.9107000     -0.8614000       1.431000
  1 1 1       6   26    0 o    7.607000      0.2802000       7.251000 0.3722000       7.963000      0.4189000     -0.7118000      0.5603000
  1 1 1       6   26    1 o    2.042000      0.5377000       1.595000 0.6918000       2.489000      0.8234000     -0.8944000       1.075000
  1 1 1       6   26    2 o    5.281000      0.3552000       5.535000 0.4875000       5.028000      0.5166000      0.5068000      0.7103000
  1 1 1       6   26    3 o    3.684000      0.7162000       4.647000 0.7476000       2.721000       1.222000       1.926000       1.432000
  1 1 1       6   26    4 o    3.394000      0.6151000       3.216000 0.9025000       3.573000      0.8360000     -0.3575000       1.230000
  1 1 1       6   26    5 o    3.800000      0.5971000       3.623000 0.8856000       3.978000      0.8012000     -0.3551000       1.194000
  1 1 1       6   26    6 o    2.832000      0.6177000       1.607000 0.7834000       4.057000      0.9552000      -2.450000       1.235000
  1 1 1       6   26    7 o    2.211000      0.7110000       2.700000 1.154000       1.721000      0.8313000      0.9791000       1.422000
  1 1 1       6   26    8 o    2.312000      0.7257000       2.208000 1.021000       2.416000       1.032000     -0.2076000       1.451000
  1 1 1       6   26    9 o    2.821000      0.7669000       2.928000 1.113000       2.714000       1.055000      0.2139000       1.534000
  1 1 1       6   26   10 o    2.563000      0.7387000       2.316000 0.9873000       2.811000       1.099000     -0.4950000       1.477000
  1 1 1       6   26   11 o    4.171000      0.7479000       5.432000 0.8559000       2.909000       1.227000       2.523000       1.496000
  1 1 1       6   26   12 o    7.463000      0.4905000       7.355000 0.7282000       7.572000      0.6574000     -0.2170000      0.9810000
  1 1 1       6   26   13 o    1.752000      0.5769000       1.495000 0.7273000       2.009000      0.8957000     -0.5148000       1.154000
  1 1 1       6   26   14 o    3.572000       1.318000       3.572000 1.318000                  ?              ?              ?              ?
  1 1 1       6   26   15 o    3.057000      0.9164000       2.938000 1.243000       3.175000       1.347000     -0.2367000       1.833000
  1 1 1       6   26   17 o    2.886000      0.8857000       2.610000 1.170000       3.162000       1.330000     -0.5524000       1.771000
  1 1 1       6   26   18 o    4.567000      0.5373000       4.461000 0.8210000       4.674000      0.6932000     -0.2129000       1.075000
  1 1 1       6   26   19 o    5.822000      0.4516000       6.471000 0.5914000       5.173000      0.6827000       1.298000      0.9032000
  1 1 1       6   26   20 o    4.947000      0.8223000       5.617000 0.7127000       4.278000       1.482000       1.340000       1.645000
  1 1 1       6   26   21 o    4.191000      0.5851000       3.784000 0.8970000       4.598000      0.7515000     -0.8136000       1.170000
  1 1 1       6   26   22 o    7.007000      0.4665000       6.626000 0.7624000       7.388000      0.5379000     -0.7615000      0.9331000
  1 1 1       6   26   23 o    3.108000      0.7759000       3.527000 1.161000       2.690000       1.029000      0.8367000       1.552000
  1 1 1       6   26   24 o    2.604000      0.6829000       3.066000 1.027000       2.143000      0.8998000      0.9227000       1.366000
  1 1 1       6   26   25 o    2.329000      0.6823000       2.722000 1.050000       1.935000      0.8714000      0.7873000       1.365000
  1 1 1       6   26   26 o    2.145000      0.6602000       2.201000 0.9615000       2.089000      0.9048000      0.1124000       1.320000
  1 1 1       6   27    0 o    2.202000      0.5633000       1.692000 0.7277000       2.711000      0.8600000      -1.019000       1.127000
  1 1 1       6   27    1 o    4.669000      0.4228000       4.616000 0.5957000       4.722000      0.6002000     -0.1056000      0.8456000
  1 1 1       6   27    2 o    5.954000      0.3745000       5.497000 0.5436000       6.411000      0.5153000     -0.9146000      0.7490000
  1 1 1       6   27    3 o    5.111000      0.5196000       5.762000 0.6366000       4.459000      0.8213000       1.302000       1.039000
  1 1 1       6   27    4 o    2.631000      0.6593000       3.121000 0.9781000       2.141000      0.8842000      0.9797000       1.319000
  1 1 1       6   27    5 o    2.279000      0.6080000       2.960000 0.9694000       1.599000      0.7342000       1.361000       1.216000
  1 1 1       6   27    6 o    3.001000      0.6729000       3.911000 1.045000       2.092000      0.8473000       1.819000       1.346000
  1 1 1       6   27    7 o    4.093000      0.8816000       3.662000 1.369000       4.523000       1.111000     -0.8619000       1.763000
  1 1 1       6   27    8 o    3.333000      0.9272000       3.677000 1.438000       2.989000       1.170000      0.6879000       1.854000
  1 1 1       6   27    9 o    4.162000      0.9388000       4.481000 1.438000       3.844000       1.207000      0.6375000       1.878000
  1 1 1       6   27   10 o    2.834000      0.8061000       2.286000 1.076000       3.382000       1.200000      -1.096000       1.612000
  1 1 1       6   27   11 o    5.434000      0.9783000       5.502000 1.421000       5.366000       1.345000      0.1355000       1.957000
  1 1 1       6   27   12 o    5.230000      0.5492000       4.967000 0.7363000       5.493000      0.8151000     -0.5256000       1.098000
  1 1 1       6   27   13 o    3.808000      0.6965000       3.703000 0.9796000       3.914000      0.9904000     -0.2110000       1.393000
  1 1 1       6   27   14 o    6.107000      0.4564000       5.767000 0.6376000       6.448000      0.6531000     -0.6809000      0.9127000
  1 1 1       6   27   15 o    5.998000      0.4907000       6.344000 0.6210000       5.651000      0.7599000      0.6930000      0.9814000
  1 1 1       6   27   16 o    3.796000      0.7022000       4.501000 0.9345000       3.091000       1.048000       1.410000       1.404000
  1 1 1       6   27   17 o    4.100000      0.6921000       4.834000 0.9316000       3.367000       1.024000       1.466000       1.384000
  1 1 1       6   27   18 o    2.524000      0.7096000       2.903000 1.066000       2.145000      0.9368000      0.7588000       1.419000
  1 1 1       6   27   19 o    2.747000      0.7351000       2.800000 1.073000       2.694000       1.005000      0.1063000       1.470000
  1 1 1       6   27   20 o    2.735000      0.7515000       2.804000 1.101000       2.667000       1.023000      0.1370000       1.503000
  1 1 1       6   27   21 o    3.274000      0.7124000       3.233000 1.044000       3.315000      0.9690000     -0.8227000E-01   1.425000
  1 1 1       6   27   22 o    3.395000      0.7092000       4.113000 1.014000       2.677000      0.9916000       1.436000       1.418000
  1 1 1       6   27   23 o    2.691000      0.6754000       1.901000 0.8813000       3.481000       1.024000      -1.580000       1.351000
  1 1 1       6   27   24 o    2.139000      0.6615000       2.093000 0.9392000       2.185000      0.9319000     -0.9229000E-01   1.323000
  1 1 1       6   27   25 o    2.723000      0.7287000       3.142000 1.097000       2.303000      0.9599000      0.8386000       1.457000
  1 1 1       6   28    0 o    3.443000      0.6007000       3.373000 0.8106000       3.514000      0.8866000     -0.1410000       1.201000
  1 1 1       6   28    1 o    5.877000      0.3818000       5.801000 0.5129000       5.953000      0.5656000     -0.1524000      0.7635000
  1 1 1       6   28    2 o    7.837000      0.3429000       7.639000 0.4772000       8.035000      0.4926000     -0.3958000      0.6858000
  1 1 1       6   28    3 o    11.25000      0.3560000       11.45000 0.5188000       11.04000      0.4877000      0.4121000      0.7120000
  1 1 1       6   28    4 o    6.045000      0.4772000       6.166000 0.6484000       5.923000      0.7003000      0.2435000      0.9544000
  1 1 1       6   28    5 o    2.963000      0.6715000       2.514000 0.9723000       3.412000      0.9264000     -0.8977000       1.343000
  1 1 1       6   28    6 o    3.421000      0.7079000       3.373000 1.061000       3.469000      0.9377000     -0.9535000E-01   1.416000
  1 1 1       6   28    7 o    3.891000      0.7483000       3.612000 1.150000       4.171000      0.9575000     -0.5585000       1.497000
  1 1 1       6   28    8 o    4.759000      0.7274000       5.075000 1.025000       4.443000       1.032000      0.6320000       1.455000
  1 1 1       6   28    9 o    2.871000      0.7715000       2.618000 1.074000       3.125000       1.108000     -0.5073000       1.543000
  1 1 1       6   28   10 o    1.751000      0.5923000       1.693000 0.8194000       1.809000      0.8554000     -0.1162000       1.185000
  1 1 1       6   28   11 o    3.569000      0.6658000       4.725000 0.8885000       2.413000      0.9919000       2.312000       1.332000
  1 1 1       6   28   12 o    4.110000      0.8068000       3.891000 1.125000       4.329000       1.156000     -0.4384000       1.614000
  1 1 1       6   28   13 o    3.173000      0.8025000       3.387000 1.128000       2.959000       1.142000      0.4279000       1.605000
  1 1 1       6   28   14 o    5.308000      0.6493000       5.428000 0.8584000       5.188000      0.9743000      0.2401000       1.299000
  1 1 1       6   28   15 f    6.519000      0.5837000       7.544000 0.7137000       5.495000      0.9239000       2.049000       1.167000
  1 1 1       6   28   16 o    6.242000      0.5242000       6.411000 0.7715000       6.072000      0.7100000      0.3396000       1.048000
  1 1 1       6   28   17 o    2.722000      0.7523000       2.707000 1.069000       2.736000       1.059000     -0.2930000E-01   1.505000
  1 1 1       6   28   18 o    2.437000      0.6680000       2.860000 1.005000       2.014000      0.8800000      0.8456000       1.336000
  1 1 1       6   28   19 o    2.708000      0.6995000       3.289000 1.048000       2.127000      0.9265000       1.162000       1.399000
  1 1 1       6   28   20 o    2.970000      0.7333000       2.924000 1.066000       3.015000       1.007000     -0.9157000E-01   1.467000
  1 1 1       6   28   21 o    2.180000      0.6665000       2.526000 1.034000       1.833000      0.8410000      0.6931000       1.333000
  1 1 1       6   28   22 o    2.551000      0.7172000       2.736000 1.060000       2.367000      0.9665000      0.3690000       1.434000
  1 1 1       6   28   23 f    3.332000      0.7487000       3.138000 1.102000       3.525000       1.013000     -0.3871000       1.497000
  1 1 1       6   28   24 o    4.185000      0.7731000       4.727000 1.011000       3.643000       1.170000       1.084000       1.546000
  1 1 1       6   29    0 o    2.917000      0.9108000       2.430000 1.169000       3.405000       1.397000     -0.9746000       1.822000
  1 1 1       6   29    1 o    3.023000      0.9234000       3.708000 1.476000       2.338000       1.111000       1.371000       1.847000
  1 1 1       6   29    2 o    3.520000       1.007000       3.812000 1.509000       3.227000       1.335000      0.5854000       2.015000
  1 1 1       6   29    4 o    3.489000      0.9905000       3.235000 1.418000       3.743000       1.383000     -0.5083000       1.981000
  1 1 1       6   29    5 o    2.738000      0.8784000       3.110000 1.367000       2.366000       1.103000      0.7433000       1.757000
  1 1 1       6   29    6 o    3.170000      0.9489000       3.297000 1.410000       3.042000       1.270000      0.2552000       1.898000
  1 1 1       6   29    7 o    3.093000      0.9120000       3.618000 1.402000       2.567000       1.167000       1.051000       1.824000
  1 1 1       6   29    8 o    3.288000      0.8987000       3.278000 1.241000       3.298000       1.300000     -0.1970000E-01   1.797000
  1 1 1       6   29    9 o    2.175000      0.6736000       2.165000 0.9507000       2.185000      0.9546000     -0.2002000E-01   1.347000
  1 1 1       6   29   10 o    1.852000      0.6176000       1.563000 0.7655000       2.141000      0.9694000     -0.5771000       1.235000
  1 1 1       6   29   11 o    1.898000      0.6247000       1.838000 0.8558000       1.957000      0.9104000     -0.1183000       1.249000
  1 1 1       6   29   12 o    2.664000      0.7728000       2.859000 1.071000       2.470000       1.115000      0.3896000       1.546000
  1 1 1       6   29   13 o    2.712000      0.7207000       2.151000 0.9405000       3.273000       1.092000      -1.122000       1.441000
  1 1 1       6   29   14 f    3.449000      0.7493000       3.387000 1.060000       3.511000       1.059000     -0.1239000       1.499000
  1 1 1       6   29   15 f    2.871000       1.090000       2.871000 1.090000                  ?              ?              ?              ?
  1 1 1       6   29   16 o    3.167000      0.6765000       4.143000 0.9772000       2.191000      0.9358000       1.952000       1.353000
  1 1 1       6   29   17 o    4.369000      0.7392000       2.954000 1.324000       5.784000      0.6574000      -2.830000       1.478000
  1 1 1       6   29   18 o    2.881000      0.7534000       2.431000 1.034000       3.332000       1.096000     -0.9007000       1.507000
  1 1 1       6   29   19 o    2.392000      0.7066000       2.341000 0.9984000       2.443000       1.000000     -0.1024000       1.413000
  1 1 1       6   29   20 o    2.585000      0.6820000       1.772000 0.8491000       3.399000       1.067000      -1.627000       1.364000
  1 1 1       6   29   21 o    2.868000      0.7459000       2.686000 1.066000       3.050000       1.044000     -0.3648000       1.492000
  1 1 1       6   29   22 o    3.039000      0.7826000       2.954000 1.131000       3.124000       1.082000     -0.1699000       1.565000
  1 1 1       6   29   23 o    5.125000      0.9825000       4.445000 1.237000       5.805000       1.527000      -1.361000       1.965000
  1 1 1       6   30    0 o    4.012000      0.5741000       4.466000 0.6769000       3.557000      0.9274000      0.9091000       1.148000
  1 1 1       6   30    1 o    2.000000      0.6013000       1.893000 0.8179000       2.107000      0.8817000     -0.2138000       1.203000
  1 1 1       6   30    2 o    2.192000      0.6093000       2.780000 0.9537000       1.604000      0.7586000       1.176000       1.219000
  1 1 1       6   30    3 o    8.238000      0.3979000       8.091000 0.5433000       8.385000      0.5814000     -0.2947000      0.7958000
  1 1 1       6   30    4 o    2.702000      0.7138000       2.935000 1.048000       2.468000      0.9691000      0.4677000       1.428000
  1 1 1       6   30    5 f    2.319000      0.6822000       2.293000 0.9708000       2.345000      0.9587000     -0.5222000E-01   1.364000
  1 1 1       6   30    6 o    2.329000      0.6866000       2.421000 0.9838000       2.238000      0.9582000      0.1829000       1.373000
  1 1 1       6   30    7 o    2.109000      0.6718000       1.701000 0.8154000       2.518000       1.068000     -0.8174000       1.344000
  1 1 1       6   30    8 o    4.617000      0.6796000       4.729000 0.8783000       4.506000       1.037000      0.2226000       1.359000
  1 1 1       6   30    9 o    2.161000      0.6674000       1.654000 0.7897000       2.668000       1.076000      -1.014000       1.335000
  1 1 1       6   30   10 o    2.970000      0.7547000       2.777000 1.003000       3.163000       1.128000     -0.3860000       1.509000
  1 1 1       6   30   11 o    2.764000      0.7579000       2.777000 1.046000       2.750000       1.098000      0.2739000E-01   1.516000
  1 1 1       6   30   12 o    2.586000      0.7171000       1.924000 0.8881000       3.248000       1.126000      -1.324000       1.434000
  1 1 1       6   30   13 o    2.361000      0.6993000       2.352000 0.9814000       2.370000      0.9964000     -0.1812000E-01   1.399000
  1 1 1       6   30   14 o    3.860000      0.7071000       4.939000 0.9201000       2.780000       1.074000       2.159000       1.414000
  1 1 1       6   30   15 o    2.803000       1.112000       2.803000 1.112000                  ?              ?              ?              ?
  1 1 1       6   30   16 o    2.604000      0.7427000       2.784000 1.091000       2.425000       1.008000      0.3583000       1.485000
  1 1 1       6   30   17 o    2.586000       1.001000                  ?       ?   2.586000       1.001000                  ?              ?
  1 1 1       6   30   18 o    3.001000      0.7781000       3.019000 1.117000       2.983000       1.084000      0.3592000E-01   1.556000
  1 1 1       6   30   19 o    2.757000      0.7725000       2.539000 1.061000       2.975000       1.123000     -0.4364000       1.545000
  1 1 1       6   30   20 o    2.208000      0.6938000       2.471000 1.052000       1.945000      0.9052000      0.5252000       1.388000
  1 1 1       6   30   21 o    2.786000      0.7515000       2.428000 1.033000       3.144000       1.092000     -0.7160000       1.503000
  1 1 1       6   31    0 o    2.791000      0.6692000       2.853000 0.9202000       2.728000      0.9718000      0.1256000       1.338000
  1 1 1       6   31    1 o    2.537000      0.6611000       2.868000 0.9501000       2.207000      0.9196000      0.6617000       1.322000
  1 1 1       6   31    2 o    3.611000      0.6805000       3.405000 0.9863000       3.818000      0.9380000     -0.4129000       1.361000
  1 1 1       6   31    3 o    3.335000      0.6872000       3.931000 0.9353000       2.740000       1.007000       1.191000       1.374000
  1 1 1       6   31    4 o    2.473000      0.6791000       2.041000 0.9032000       2.905000       1.014000     -0.8644000       1.358000
  1 1 1       6   31    5 o    2.434000      0.6736000       2.929000 1.021000       1.939000      0.8791000      0.9898000       1.347000
  1 1 1       6   31    6 o    2.590000      0.7183000       2.457000 0.9908000       2.722000       1.040000     -0.2646000       1.437000
  1 1 1       6   31    7 o    2.867000      0.7778000       2.983000 1.093000       2.751000       1.107000      0.2315000       1.556000
  1 1 1       6   31    8 o    2.899000      0.7656000       2.738000 1.036000       3.059000       1.128000     -0.3213000       1.531000
  1 1 1       6   31    9 o    2.310000      0.7202000       2.055000 0.9302000       2.566000       1.100000     -0.5114000       1.440000
  1 1 1       6   31   10 o    3.136000      0.8065000       3.114000 1.098000       3.158000       1.181000     -0.4424000E-01   1.613000
  1 1 1       6   31   11 f    2.935000      0.7490000       3.615000 1.103000       2.255000       1.013000       1.360000       1.498000
  1 1 1       6   31   12 o    2.326000      0.7036000       2.343000 1.011000       2.309000      0.9793000      0.3451000E-01   1.407000
  1 1 1       6   31   13 o    3.217000      0.7717000       2.956000 1.099000       3.479000       1.084000     -0.5234000       1.543000
  1 1 1       6   31   14 o    2.987000      0.7907000       3.135000 1.126000       2.840000       1.111000      0.2952000       1.581000
  1 1 1       6   31   15 o    2.949000      0.7824000       2.203000 1.003000       3.694000       1.201000      -1.492000       1.565000
  1 1 1       6   31   16 o    2.426000      0.7126000       3.061000 1.140000       1.791000      0.8551000       1.270000       1.425000
  1 1 1       6   31   17 o    3.179000      0.7845000       3.034000 1.126000       3.324000       1.093000     -0.2897000       1.569000
  1 1 1       6   31   18 o    3.003000      0.7813000       3.158000 1.137000       2.849000       1.072000      0.3096000       1.563000
  1 1 1       6   31   19 o    2.396000      0.7540000       2.505000 1.101000       2.288000       1.030000      0.2167000       1.508000
  1 1 1       6   32    0 o    2.579000      0.6898000       1.992000 0.8863000       3.166000       1.057000      -1.174000       1.380000
  1 1 1       6   32    1 o    2.098000      0.6552000       2.108000 0.9256000       2.089000      0.9276000      0.1868000E-01   1.310000
  1 1 1       6   32    2 o    3.092000      0.7443000       3.785000 1.092000       2.398000       1.012000       1.386000       1.489000
  1 1 1       6   32    3 o    3.042000      0.7511000       3.081000 1.057000       3.003000       1.067000      0.7859000E-01   1.502000
  1 1 1       6   32    4 o    2.673000      0.7532000       2.138000 1.057000       3.208000       1.073000      -1.070000       1.506000
  1 1 1       6   32    5 o    3.023000      0.7658000       2.801000 1.047000       3.245000       1.118000     -0.4448000       1.532000
  1 1 1       6   32    6 o    4.431000      0.6926000       5.601000 0.7745000       3.262000       1.148000       2.340000       1.385000
  1 1 1       6   32    7 o    2.848000      0.7544000       3.465000 1.126000       2.232000       1.005000       1.233000       1.509000
  1 1 1       6   32    8 o    2.710000      0.7789000       2.773000 1.107000       2.647000       1.096000      0.1255000       1.558000
  1 1 1       6   32    9 o    3.001000      0.7975000       2.850000 1.116000       3.153000       1.140000     -0.3029000       1.595000
  1 1 1       6   32   10 o    2.459000      0.7234000       2.948000 1.112000       1.970000      0.9259000      0.9775000       1.447000
  1 1 1       6   32   11 o    2.869000      0.7797000       3.044000 1.116000       2.693000       1.089000      0.3513000       1.559000
  1 1 1       6   32   12 o    2.374000      0.7089000       2.538000 1.029000       2.210000      0.9753000      0.3285000       1.418000
  1 1 1       6   32   13 o    2.911000      0.8217000       2.938000 1.141000       2.884000       1.183000      0.5475000E-01   1.643000
  1 1 1       6   32   14 o    2.550000      0.7480000       2.917000 1.126000       2.183000      0.9851000      0.7343000       1.496000
  1 1 1       6   32   15 o    2.453000      0.7597000       2.513000 1.089000       2.394000       1.059000      0.1190000       1.519000
  1 1 1       6   32   16 o    2.480000      0.7438000       2.190000 1.001000       2.769000       1.101000     -0.5783000       1.488000
  1 1 1       6   32   17 o    2.974000      0.7557000       2.235000 1.047000       3.713000       1.090000      -1.478000       1.511000
  1 1 1       6   33    0 o    2.494000      0.7205000       1.996000 0.9026000       2.993000       1.123000     -0.9975000       1.441000
  1 1 1       6   33    1 o    2.857000      0.7652000       2.495000 1.023000       3.220000       1.139000     -0.7255000       1.530000
  1 1 1       6   33    2 o    5.730000      0.5896000       6.370000 0.7101000       5.090000      0.9414000       1.279000       1.179000
  1 1 1       6   33    3 o    5.690000      0.6146000       5.408000 0.8513000       5.972000      0.8868000     -0.5640000       1.229000
  1 1 1       6   33    4 o    4.645000      0.7525000       4.855000 1.024000       4.435000       1.103000      0.4199000       1.505000
  1 1 1       6   33    5 o    2.643000      0.7740000       2.398000 1.039000       2.888000       1.147000     -0.4904000       1.548000
  1 1 1       6   33    6 o    4.525000      0.7460000       5.055000 0.9283000       3.995000       1.168000       1.061000       1.492000
  1 1 1       6   33    7 f    2.572000      0.7357000       2.116000 0.9458000       3.029000       1.127000     -0.9128000       1.471000
  1 1 1       6   33    8 o    1.802000      0.6060000       1.888000 0.8854000       1.715000      0.8277000      0.1725000       1.212000
  1 1 1       6   33    9 o    3.031000      0.7864000       3.219000 1.112000       2.844000       1.113000      0.3756000       1.573000
  1 1 1       6   33   10 o    2.384000      0.7285000       2.740000 1.111000       2.027000      0.9425000      0.7130000       1.457000
  1 1 1       6   33   11 o    2.698000      0.7342000       3.313000 1.114000       2.084000      0.9564000       1.229000       1.468000
  1 1 1       6   33   12 f    2.889000      0.7391000       2.230000 0.9848000       3.548000       1.102000      -1.318000       1.478000
  1 1 1       6   33   13 o    3.563000      0.8019000       3.394000 1.151000       3.732000       1.117000     -0.3378000       1.604000
  1 1 1       6   33   14 o    2.429000      0.7506000       2.451000 1.061000       2.407000       1.062000      0.4330000E-01   1.501000
  1 1 1       6   33   15 o    2.335000      0.7427000       2.411000 1.065000       2.259000       1.036000      0.1522000       1.485000
  1 1 1       6   34    0 o    2.022000      0.6577000       2.068000 0.9323000       1.976000      0.9280000      0.9202000E-01   1.315000
  1 1 1       6   34    1 o    3.219000      0.8073000       3.659000 1.111000       2.779000       1.171000      0.8795000       1.615000
  1 1 1       6   34    2 o    5.185000      0.6895000       4.563000 1.003000       5.808000      0.9460000      -1.246000       1.379000
  1 1 1       6   34    3 o    3.649000      0.8235000       3.928000 1.118000       3.371000       1.210000      0.5563000       1.647000
  1 1 1       6   34    4 o    2.414000      0.7480000       2.279000 1.011000       2.549000       1.103000     -0.2701000       1.496000
  1 1 1       6   34    5 o    3.668000      0.8062000       4.131000 1.099000       3.206000       1.180000      0.9259000       1.612000
  1 1 1       6   34    6 o    4.839000      0.7006000       3.623000 1.104000       6.055000      0.8633000      -2.432000       1.401000
  1 1 1       6   34    7 o    3.025000      0.7950000       2.812000 1.076000       3.238000       1.170000     -0.4266000       1.590000
  1 1 1       6   34    8 o    2.723000      0.7834000       3.010000 1.142000       2.435000       1.073000      0.5749000       1.567000
  1 1 1       6   34    9 o    2.602000      0.7658000       2.768000 1.099000       2.437000       1.066000      0.3315000       1.532000
  1 1 1       6   34   10 o    2.668000      0.7858000       2.577000 1.085000       2.759000       1.137000     -0.1814000       1.572000
  1 1 1       6   34   11 o    2.946000      0.8078000       2.663000 1.102000       3.230000       1.181000     -0.5672000       1.616000
  1 1 1       6   34   12 o    3.022000      0.8365000       1.776000 0.8504000       4.268000       1.441000      -2.492000       1.673000
  1 1 1       6   35    0 o    2.409000      0.7302000       2.404000 1.001000       2.414000       1.064000     -0.9630000E-02   1.460000
  1 1 1       6   35    1 o    2.939000      0.8991000       3.127000 1.386000       2.751000       1.146000      0.3765000       1.798000
  1 1 1       6   35    2 f    3.888000      0.7871000       4.508000 1.011000       3.268000       1.206000       1.239000       1.574000
  1 1 1       6   35    3 o    3.067000      0.8125000       3.354000 1.140000       2.779000       1.158000      0.5745000       1.625000
  1 1 1       6   35    4 o    3.621000      0.8148000       3.446000 1.102000       3.797000       1.201000     -0.3505000       1.630000
  1 1 1       6   35    5 o    3.506000      0.7992000       3.239000 1.083000       3.774000       1.176000     -0.5358000       1.598000
  1 1 1       6   35    6 o    2.519000      0.7597000       2.259000 0.9976000       2.778000       1.146000     -0.5186000       1.519000
  1 1 1       6   35    7 o    3.493000      0.7919000       3.057000 1.106000       3.930000       1.134000     -0.8729000       1.584000
  1 1 1       6   35    8 o    3.677000      0.8875000       3.397000 1.056000       3.956000       1.427000     -0.5585000       1.775000
  1 1 1       7  -29    0 o    4.489000      0.7509000       5.174000 0.8941000       3.804000       1.207000       1.369000       1.502000
  1 1 1       7  -29    1 o    4.622000       1.091000       4.622000 1.091000                  ?              ?              ?              ?
  1 1 1       7  -29    2 o    3.073000      0.8117000       3.310000 1.149000       2.836000       1.147000      0.4743000       1.623000
  1 1 1       7  -29    3 o    2.087000      0.6717000       1.812000 0.8369000       2.361000       1.051000     -0.5487000       1.343000
  1 1 1       7  -29    4 o    3.145000      0.8120000       3.283000 1.130000       3.007000       1.166000      0.2764000       1.624000
  1 1 1       7  -29    5 o    2.832000      0.7603000       2.715000 1.073000       2.949000       1.077000     -0.2336000       1.521000
  1 1 1       7  -29    6 o    3.100000      0.7271000       2.461000 1.003000       3.739000       1.053000      -1.278000       1.454000
  1 1 1       7  -29    7 o    3.445000      0.7776000       3.100000 1.102000       3.790000       1.097000     -0.6899000       1.555000
  1 1 1       7  -29    8 o    2.337000      0.7147000       2.691000 1.098000       1.984000      0.9147000      0.7065000       1.429000
  1 1 1       7  -28    0 o    8.581000      0.5079000       8.366000 0.6659000       8.796000      0.7671000     -0.4303000       1.016000
  1 1 1       7  -28    1 f    3.174000       1.038000       3.042000 1.411000       3.307000       1.522000     -0.2651000       2.075000
  1 1 1       7  -28    2 o    3.764000      0.7840000       2.890000 1.112000       4.638000       1.106000      -1.748000       1.568000
  1 1 1       7  -28    3 o    4.289000       1.151000                  ?       ?   4.289000       1.151000                  ?              ?
  1 1 1       7  -28    4 o    4.587000      0.7484000       5.420000 0.9374000       3.754000       1.167000       1.666000       1.497000
  1 1 1       7  -28    5 o    3.113000      0.8404000       3.097000 1.229000       3.128000       1.147000     -0.3073000E-01   1.681000
  1 1 1       7  -28    6 o    3.315000      0.7562000       3.175000 1.079000       3.456000       1.059000     -0.2809000       1.512000
  1 1 1       7  -28    7 o    2.749000      0.7461000       2.728000 1.060000       2.770000       1.051000     -0.4211000E-01   1.492000
  1 1 1       7  -28    8 o    3.281000      0.7655000       4.063000 1.137000       2.498000       1.025000       1.565000       1.531000
  1 1 1       7  -28    9 o    2.812000      0.7366000       3.650000 1.160000       1.973000      0.9082000       1.677000       1.473000
  1 1 1       7  -28   10 o    3.190000      0.7652000       3.143000 1.106000       3.236000       1.058000     -0.9329000E-01   1.530000
  1 1 1       7  -28   11 o    2.593000      0.7045000       2.727000 1.034000       2.459000      0.9568000      0.2679000       1.409000
  1 1 1       7  -28   12 o    2.206000      0.6863000       2.350000 1.023000       2.062000      0.9146000      0.2882000       1.373000
  1 1 1       7  -27    0 o    7.206000      0.4978000       7.369000 0.6458000       7.042000      0.7578000      0.3266000      0.9957000
  1 1 1       7  -27    1 o    4.359000      0.6827000       5.887000 0.7715000       2.830000       1.126000       3.057000       1.365000
  1 1 1       7  -27    2 o    3.545000      0.7303000       4.588000 0.9868000       2.502000       1.077000       2.086000       1.461000
  1 1 1       7  -27    3 o    5.054000      0.6931000       4.951000 0.9529000       5.158000       1.007000     -0.2061000       1.386000
  1 1 1       7  -27    4 o    3.666000      0.7473000       4.658000 1.034000       2.673000       1.079000       1.984000       1.495000
  1 1 1       7  -27    5 o    3.055000      0.8124000       3.087000 1.127000       3.023000       1.170000      0.6428000E-01   1.625000
  1 1 1       7  -27    6 o    2.165000      0.6839000       2.186000 0.9757000       2.144000      0.9585000      0.4203000E-01   1.368000
  1 1 1       7  -27    7 o    2.108000      0.6683000       2.196000 0.9765000       2.020000      0.9128000      0.1762000       1.337000
  1 1 1       7  -27    8 o    2.647000      0.7420000       2.306000 1.018000       2.989000       1.079000     -0.6834000       1.484000
  1 1 1       7  -27    9 o    2.679000      0.7123000       2.014000 0.9301000       3.345000       1.079000      -1.332000       1.425000
  1 1 1       7  -27   10 o    2.183000      0.6811000       2.314000 1.008000       2.051000      0.9158000      0.2621000       1.362000
  1 1 1       7  -27   11 f    2.224000      0.6810000       2.212000 0.9744000       2.236000      0.9515000     -0.2360000E-01   1.362000
  1 1 1       7  -27   12 o    2.566000      0.6974000       2.164000 0.9511000       2.967000       1.020000     -0.8026000       1.395000
  1 1 1       7  -27   13 o    3.082000      0.7378000       3.035000 1.096000       3.129000      0.9875000     -0.9466000E-01   1.476000
  1 1 1       7  -27   14 o    3.124000      0.7233000       2.560000 1.055000       3.688000      0.9895000      -1.129000       1.447000
  1 1 1       7  -27   15 o    3.800000      0.7078000       4.609000 0.9976000       2.991000       1.004000       1.618000       1.416000
  1 1 1       7  -26    0 o    2.793000      0.7500000       2.685000 1.038000       2.902000       1.083000     -0.2177000       1.500000
  1 1 1       7  -26    1 o    4.303000      0.7227000       4.197000 1.032000       4.409000       1.012000     -0.2116000       1.445000
  1 1 1       7  -26    2 o    2.439000      0.7380000       2.405000 1.017000       2.472000       1.070000     -0.6603000E-01   1.476000
  1 1 1       7  -26    3 o    2.858000      0.7792000       3.017000 1.120000       2.699000       1.083000      0.3175000       1.558000
  1 1 1       7  -26    4 o    2.650000      0.7623000       2.467000 1.059000       2.834000       1.097000     -0.3671000       1.525000
  1 1 1       7  -26    5 o    4.208000      0.7523000       3.774000 1.092000       4.642000       1.035000     -0.8675000       1.505000
  1 1 1       7  -26    6 o    2.380000      0.7070000       1.826000 0.8682000       2.934000       1.116000      -1.108000       1.414000
  1 1 1       7  -26    7 o    1.815000      0.6045000       1.592000 0.7790000       2.039000      0.9246000     -0.4476000       1.209000
  1 1 1       7  -26    8 o    2.347000      0.7796000       2.295000 1.087000       2.399000       1.118000     -0.1037000       1.559000
  1 1 1       7  -26    9 o    3.573000      0.9251000       4.015000 1.369000       3.132000       1.245000      0.8831000       1.850000
  1 1 1       7  -26   10 o    3.902000      0.9355000       3.593000 1.314000       4.210000       1.332000     -0.6170000       1.871000
  1 1 1       7  -26   11 o    3.042000      0.8675000       2.751000 1.172000       3.334000       1.279000     -0.5825000       1.735000
  1 1 1       7  -26   12 o    3.324000      0.9467000       3.014000 1.327000       3.634000       1.350000     -0.6208000       1.893000
  1 1 1       7  -26   13 o    4.676000       1.012000       3.241000 1.432000       6.111000       1.430000      -2.871000       2.024000
  1 1 1       7  -26   14 o    4.925000       1.077000       4.033000 1.547000       5.817000       1.497000      -1.784000       2.153000
  1 1 1       7  -26   15 o    2.895000      0.9431000       3.086000 1.401000       2.704000       1.263000      0.3824000       1.886000
  1 1 1       7  -26   16 o    3.454000       1.016000       3.784000 1.504000       3.124000       1.368000      0.6601000       2.033000
  1 1 1       7  -26   17 o    2.985000      0.9327000       3.491000 1.434000       2.480000       1.194000       1.011000       1.865000
  1 1 1       7  -25    0 f    5.573000      0.4919000       5.607000 0.6358000       5.539000      0.7508000      0.6887000E-01  0.9839000
  1 1 1       7  -25    1 o    5.094000      0.5385000       5.316000 0.7332000       4.872000      0.7889000      0.4444000       1.077000
  1 1 1       7  -25    2 o    5.226000      0.8785000       5.226000 0.8785000                  ?              ?              ?              ?
  1 1 1       7  -25    3 o    3.660000      0.7056000       2.155000 0.9815000       5.164000       1.014000      -3.009000       1.411000
  1 1 1       7  -25    4 o    3.616000       1.149000                  ?       ?   3.616000       1.149000                  ?              ?
  1 1 1       7  -25    5 o    3.797000      0.7328000       4.327000 0.9033000       3.267000       1.154000       1.060000       1.466000
  1 1 1       7  -25    6 o    2.856000      0.7688000       3.635000 1.231000       2.076000      0.9215000       1.559000       1.538000
  1 1 1       7  -25    7 o    3.508000      0.7240000       2.848000 1.091000       4.167000      0.9525000      -1.318000       1.448000
  1 1 1       7  -25    8 o    3.127000      0.7830000       3.556000 1.159000       2.698000       1.053000      0.8587000       1.566000
  1 1 1       7  -25    9 o    3.095000      0.7507000       2.552000 1.082000       3.638000       1.041000      -1.086000       1.501000
  1 1 1       7  -25   10 o    3.165000      0.7433000       3.284000 1.072000       3.047000       1.030000      0.2374000       1.487000
  1 1 1       7  -25   11 o    5.378000      0.7469000       4.965000 1.353000       5.792000      0.6329000     -0.8268000       1.494000
  1 1 1       7  -25   12 o    3.334000      0.7233000       3.181000 1.044000       3.487000       1.001000     -0.3060000       1.447000
  1 1 1       7  -25   13 o    4.498000      0.6219000       4.495000 0.9003000       4.500000      0.8582000     -0.4890000E-02   1.244000
  1 1 1       7  -25   14 o    2.686000      0.6922000       2.856000 0.9968000       2.516000      0.9608000      0.3396000       1.384000
  1 1 1       7  -25   15 o    6.798000      0.4504000       7.288000 0.6238000       6.309000      0.6499000      0.9799000      0.9008000
  1 1 1       7  -25   16 o    4.270000      0.6728000       5.529000 0.9202000       3.011000      0.9818000       2.517000       1.346000
  1 1 1       7  -25   17 o    2.232000      0.6691000       2.013000 0.9427000       2.451000      0.9499000     -0.4381000       1.338000
  1 1 1       7  -25   18 o    2.011000      0.6539000       2.163000 0.9976000       1.859000      0.8458000      0.3047000       1.308000
  1 1 1       7  -25   19 o    2.901000      0.7367000       4.005000 1.215000       1.797000      0.8333000       2.208000       1.473000
  1 1 1       7  -24    0 o    4.024000      0.5673000       4.257000 0.7765000       3.790000      0.8272000      0.4677000       1.135000
  1 1 1       7  -24    1 o    6.661000      0.4100000       6.521000 0.5593000       6.801000      0.5997000     -0.2797000      0.8200000
  1 1 1       7  -24    2 o    3.414000       1.015000       3.414000 1.015000                  ?              ?              ?              ?
  1 1 1       7  -24    3 o    1.978000      0.6234000       1.815000 0.8334000       2.142000      0.9274000     -0.3267000       1.247000
  1 1 1       7  -24    4 o    1.815000      0.8262000                  ?       ?   1.815000      0.8262000                  ?              ?
  1 1 1       7  -24    5 o    3.073000      0.9308000       2.437000 1.172000       3.709000       1.446000      -1.272000       1.862000
  1 1 1       7  -24    6 o    2.710000      0.8836000       2.967000 1.337000       2.452000       1.156000      0.5151000       1.767000
  1 1 1       7  -24    7 f    3.524000      0.8529000       3.371000 1.250000       3.677000       1.161000     -0.3053000       1.706000
  1 1 1       7  -24    8 o    2.543000      0.7767000       2.737000 1.145000       2.349000       1.050000      0.3875000       1.553000
  1 1 1       7  -24    9 o    3.087000      0.7976000       2.526000 1.092000       3.648000       1.163000      -1.122000       1.595000
  1 1 1       7  -24   10 o    2.780000      0.6325000       3.478000 0.9239000       2.082000      0.8641000       1.396000       1.265000
  1 1 1       7  -24   11 o    3.447000      0.6054000       2.352000 0.9350000       4.541000      0.7693000      -2.189000       1.211000
  1 1 1       7  -24   12 o    3.263000      0.6867000       3.497000 0.9520000       3.028000      0.9900000      0.4690000       1.373000
  1 1 1       7  -24   13 o    2.323000      0.6495000       1.854000 0.8423000       2.791000      0.9890000     -0.9369000       1.299000
  1 1 1       7  -24   14 o    2.323000      0.6429000       2.823000 0.9873000       1.824000      0.8238000      0.9986000       1.286000
  1 1 1       7  -24   15 o    1.941000      0.6032000       2.079000 0.8879000       1.803000      0.8167000      0.2763000       1.206000
  1 1 1       7  -24   16 f    1.764000      0.5688000       1.476000 0.7221000       2.052000      0.8789000     -0.5761000       1.138000
  1 1 1       7  -24   17 o    3.399000      0.7001000       4.012000 1.018000       2.787000      0.9614000       1.225000       1.400000
  1 1 1       7  -24   18 o    2.145000      0.6589000       2.223000 0.9757000       2.067000      0.8858000      0.1568000       1.318000
  1 1 1       7  -24   19 o    2.768000      0.7255000       2.947000 1.095000       2.588000      0.9522000      0.3589000       1.451000
  1 1 1       7  -24   20 o    2.970000      0.7291000       3.682000 1.123000       2.257000      0.9306000       1.425000       1.458000
  1 1 1       7  -24   21 o    2.656000      0.7389000       2.578000 1.098000       2.733000      0.9886000     -0.1551000       1.478000
  1 1 1       7  -23    0 o    3.532000       1.066000       4.032000 1.705000       3.033000       1.281000      0.9990000       2.133000
  1 1 1       7  -23    1 o    3.066000      0.9711000       3.744000 1.600000       2.388000       1.102000       1.356000       1.942000
  1 1 1       7  -23    2 o    2.998000      0.9369000       3.666000 1.514000       2.330000       1.105000       1.336000       1.874000
  1 1 1       7  -23    3 o    2.408000      0.6660000       2.625000 0.9646000       2.192000      0.9186000      0.4332000       1.332000
  1 1 1       7  -23    4 f    7.958000      0.4086000       7.498000 0.5615000       8.419000      0.5937000     -0.9209000      0.8171000
  1 1 1       7  -23    5 o    3.996000      0.6695000       3.708000 1.031000       4.283000      0.8546000     -0.5758000       1.339000
  1 1 1       7  -23    6 o    4.149000      0.6550000       4.024000 0.9937000       4.273000      0.8537000     -0.2487000       1.310000
  1 1 1       7  -23    7 o    2.581000      0.7051000       2.539000 1.008000       2.624000      0.9867000     -0.8426000E-01   1.410000
  1 1 1       7  -23    8 o    2.524000      0.7194000       2.643000 1.044000       2.404000      0.9901000      0.2391000       1.439000
  1 1 1       7  -23    9 o    2.240000      0.6684000       1.801000 0.8496000       2.679000       1.032000     -0.8784000       1.337000
  1 1 1       7  -23   10 o    4.926000      0.5715000       5.530000 0.7385000       4.322000      0.8723000       1.207000       1.143000
  1 1 1       7  -23   11 o    3.319000      0.6343000       3.812000 0.8687000       2.826000      0.9244000      0.9862000       1.269000
  1 1 1       7  -23   12 o    1.855000      0.5791000       2.000000 0.8457000       1.710000      0.7914000      0.2902000       1.158000
  1 1 1       7  -23   13 o    2.403000      0.6351000       2.652000 0.9036000       2.153000      0.8928000      0.4993000       1.270000
  1 1 1       7  -23   14 o    4.320000      0.5185000       4.476000 0.7242000       4.163000      0.7422000      0.3129000       1.037000
  1 1 1       7  -23   15 o    3.682000      0.5789000       3.302000 0.8982000       4.061000      0.7306000     -0.7587000       1.158000
  1 1 1       7  -23   16 o    3.006000      0.6614000       3.204000 0.9779000       2.807000      0.8907000      0.3965000       1.323000
  1 1 1       7  -23   17 o    8.052000      0.3808000       7.718000 0.6037000       8.387000      0.4641000     -0.6687000      0.7615000
  1 1 1       7  -23   18 o    2.068000      0.6155000       2.014000 0.9088000       2.122000      0.8302000     -0.1083000       1.231000
  1 1 1       7  -23   19 o    3.268000      0.6545000       2.625000 1.007000       3.911000      0.8365000      -1.287000       1.309000
  1 1 1       7  -23   20 o    2.193000      0.6627000       2.666000 1.061000       1.721000      0.7944000      0.9442000       1.325000
  1 1 1       7  -23   21 o    2.664000      0.7003000       2.905000 1.057000       2.422000      0.9183000      0.4823000       1.401000
  1 1 1       7  -23   22 o    4.577000      0.6962000       3.930000 1.199000       5.223000      0.7071000      -1.293000       1.392000
  1 1 1       7  -22    0 o    7.773000      0.3568000       7.040000 0.4949000       8.506000      0.5141000      -1.465000      0.7136000
  1 1 1       7  -22    1 o    2.455000      0.6566000       2.378000 0.9247000       2.533000      0.9324000     -0.1558000       1.313000
  1 1 1       7  -22    2 o    2.865000      0.6902000       2.841000 0.9881000       2.890000      0.9640000     -0.4955000E-01   1.380000
  1 1 1       7  -22    3 o    2.313000      0.6896000       2.105000 0.9258000       2.520000       1.022000     -0.4152000       1.379000
  1 1 1       7  -22    4 o    4.041000      0.6187000       3.550000 0.9758000       4.531000      0.7609000     -0.9809000       1.237000
  1 1 1       7  -22    5 o    3.417000      0.6858000       2.871000 1.070000       3.964000      0.8584000      -1.093000       1.372000
  1 1 1       7  -22    6 f    2.815000      0.7079000       3.046000 1.057000       2.583000      0.9422000      0.4625000       1.416000
  1 1 1       7  -22    7 f    3.349000      0.7328000       2.640000 1.084000       4.058000      0.9866000      -1.418000       1.466000
  1 1 1       7  -22    8 o    2.687000      0.7554000       2.515000 1.029000       2.859000       1.106000     -0.3442000       1.511000
  1 1 1       7  -22    9 o    7.201000      0.4647000       7.586000 0.5994000       6.816000      0.7103000      0.7700000      0.9294000
  1 1 1       7  -22   10 o    4.769000      0.5534000       4.488000 0.8069000       5.049000      0.7575000     -0.5615000       1.107000
  1 1 1       7  -22   11 o    4.156000      0.5585000       3.660000 0.8732000       4.651000      0.6965000     -0.9918000       1.117000
  1 1 1       7  -22   12 o    5.623000      0.4101000       5.644000 0.5433000       5.603000      0.6145000      0.4085000E-01  0.8202000
  1 1 1       7  -22   13 o    2.255000      0.5870000       1.674000 0.7565000       2.836000      0.8977000      -1.162000       1.174000
  1 1 1       7  -22   14 o    4.350000      0.4536000       4.560000 0.6527000       4.140000      0.6301000      0.4206000      0.9072000
  1 1 1       7  -22   15 o    2.165000      0.5668000       1.790000 0.7778000       2.539000      0.8247000     -0.7495000       1.134000
  1 1 1       7  -22   16 o    4.741000      0.4474000       4.121000 0.7429000       5.361000      0.4988000      -1.240000      0.8948000
  1 1 1       7  -22   17 o    5.224000      0.4224000       4.924000 0.6699000       5.525000      0.5147000     -0.6017000      0.8448000
  1 1 1       7  -22   18 o    7.608000      0.3777000       7.181000 0.6316000       8.034000      0.4145000     -0.8525000      0.7554000
  1 1 1       7  -22   19 o    10.42000      0.3524000       9.804000 0.5536000       11.03000      0.4361000      -1.228000      0.7047000
  1 1 1       7  -22   20 o    2.707000      0.7024000       3.144000 1.080000       2.271000      0.8984000      0.8731000       1.405000
  1 1 1       7  -22   21 o    5.598000      0.4793000       5.964000 0.7242000       5.232000      0.6280000      0.7318000      0.9585000
  1 1 1       7  -22   22 o    3.155000      0.6783000       3.800000 0.9917000       2.510000      0.9256000       1.289000       1.357000
  1 1 1       7  -22   23 o    2.752000      0.7021000       2.939000 1.068000       2.565000      0.9110000      0.3742000       1.404000
  1 1 1       7  -22   24 o    2.761000      0.6312000       1.848000 0.8506000       3.675000      0.9329000      -1.828000       1.262000
  1 1 1       7  -21    0 o    6.881000      0.3592000       7.167000 0.4618000       6.596000      0.5502000      0.5706000      0.7183000
  1 1 1       7  -21    1 f    5.314000      0.4401000       5.830000 0.5478000       4.798000      0.6889000       1.032000      0.8802000
  1 1 1       7  -21    2 o    2.861000      0.6095000       3.644000 0.8478000       2.079000      0.8760000       1.565000       1.219000
  1 1 1       7  -21    4 o    3.649000      0.6722000       3.116000 1.049000       4.183000      0.8403000      -1.067000       1.344000
  1 1 1       7  -21    6 o    2.259000      0.6669000       2.542000 1.032000       1.977000      0.8451000      0.5653000       1.334000
  1 1 1       7  -21    7 o    7.917000      0.5800000       7.813000 0.9460000       8.022000      0.6712000     -0.2093000       1.160000
  1 1 1       7  -21    8 o    6.726000      0.5341000       6.011000 0.6997000       7.441000      0.8072000      -1.430000       1.068000
  1 1 1       7  -21    9 o    5.753000      0.5389000       5.724000 0.7159000       5.782000      0.8056000     -0.5747000E-01   1.078000
  1 1 1       7  -21   10 o    3.091000      0.7250000       3.107000 1.008000       3.074000       1.043000      0.3320000E-01   1.450000
  1 1 1       7  -21   11 o    3.080000      0.6022000       2.737000 0.8797000       3.423000      0.8227000     -0.6855000       1.204000
  1 1 1       7  -21   12 o    3.086000      0.6223000       2.858000 0.8829000       3.314000      0.8774000     -0.4564000       1.245000
  1 1 1       7  -21   13 o    2.938000      0.6181000       2.868000 0.8557000       3.007000      0.8920000     -0.1399000       1.236000
  1 1 1       7  -21   14 o    5.261000      0.3622000       5.156000 0.5341000       5.366000      0.4895000     -0.2099000      0.7245000
  1 1 1       7  -21   15 f    8.094000      0.2848000       7.878000 0.4292000       8.310000      0.3743000     -0.4327000      0.5695000
  1 1 1       7  -21   16 o    7.900000      0.3004000       7.766000 0.4295000       8.035000      0.4201000     -0.2693000      0.6008000
  1 1 1       7  -21   17 f    4.906000      0.4076000       4.471000 0.6863000       5.341000      0.4398000     -0.8702000      0.8151000
  1 1 1       7  -21   18 o    2.179000      0.5999000       2.391000 0.9056000       1.967000      0.7869000      0.4238000       1.200000
  1 1 1       7  -21   19 o    2.044000      0.5927000       2.216000 0.8955000       1.873000      0.7767000      0.3426000       1.185000
  1 1 1       7  -21   20 o    3.414000      0.5546000       2.177000 0.9243000       4.650000      0.6131000      -2.473000       1.109000
  1 1 1       7  -21   21 o    4.968000      0.5867000       4.038000 1.062000       5.898000      0.4992000      -1.860000       1.173000
  1 1 1       7  -21   22 o    5.137000      0.4946000       5.214000 0.7697000       5.059000      0.6213000      0.1555000      0.9892000
  1 1 1       7  -21   23 o    7.624000      0.5726000       7.878000 0.7511000       7.370000      0.8645000      0.5078000       1.145000
  1 1 1       7  -21   24 o    3.376000      0.6797000       3.752000 1.013000       3.001000      0.9068000      0.7505000       1.359000
  1 1 1       7  -21   25 o    2.269000      0.6315000       1.794000 0.8323000       2.745000      0.9499000     -0.9512000       1.263000
  1 1 1       7  -20    0 f    10.25000      0.2921000       10.43000 0.3921000       10.07000      0.4330000      0.3622000      0.5841000
  1 1 1       7  -20    1 o    5.147000      0.4152000       5.329000 0.5346000       4.964000      0.6355000      0.3641000      0.8305000
  1 1 1       7  -20    2 o    2.262000      0.6017000       2.420000 0.8330000       2.104000      0.8685000      0.3161000       1.203000
  1 1 1       7  -20    3 o    5.980000      0.5820000       5.980000 0.5820000                  ?              ?              ?              ?
  1 1 1       7  -20    4 o    1.887000      0.5996000       2.113000 0.9121000       1.661000      0.7785000      0.4520000       1.199000
  1 1 1       7  -20    6 o    2.494000      0.6600000       2.367000 0.9885000       2.621000      0.8749000     -0.2542000       1.320000
  1 1 1       7  -20    7 o    4.331000      0.7110000       5.400000 0.9828000       3.262000       1.028000       2.138000       1.422000
  1 1 1       7  -20    8 o    13.85000      0.3718000       13.22000 0.4500000       14.47000      0.5920000      -1.248000      0.7437000
  1 1 1       7  -20    9 o    5.151000      0.6104000       6.011000 0.6785000       4.291000       1.015000       1.720000       1.221000
  1 1 1       7  -20   10 o    3.526000      0.6807000       2.667000 0.9854000       4.385000      0.9393000      -1.719000       1.361000
  1 1 1       7  -20   11 o    3.127000      0.5426000       4.348000 0.6890000       1.906000      0.8384000       2.442000       1.085000
  1 1 1       7  -20   12 o    2.919000      0.6143000       2.787000 0.8518000       3.051000      0.8854000     -0.2643000       1.229000
  1 1 1       7  -20   13 o    4.231000      0.4608000       3.723000 0.7050000       4.739000      0.5936000      -1.016000      0.9216000
  1 1 1       7  -20   14 o    2.856000      0.5155000       2.669000 0.7700000       3.044000      0.6857000     -0.3744000       1.031000
  1 1 1       7  -20   15 o    3.075000      0.5121000       2.523000 0.8013000       3.626000      0.6379000      -1.104000       1.024000
  1 1 1       7  -20   16 o    4.469000      0.3974000       3.762000 0.6620000       5.176000      0.4397000      -1.414000      0.7948000
  1 1 1       7  -20   17 o    4.069000      0.4334000       4.276000 0.6674000       3.862000      0.5533000      0.4140000      0.8669000
  1 1 1       7  -20   18 o    5.281000      0.7555000       5.646000 0.5271000       4.916000       1.416000      0.7299000       1.511000
  1 1 1       7  -20   19 o    3.035000      0.5778000       2.915000 0.9104000       3.155000      0.7118000     -0.2400000       1.156000
  1 1 1       7  -20   20 o    1.991000      0.5666000       1.772000 0.8158000       2.211000      0.7866000     -0.4389000       1.133000
  1 1 1       7  -20   21 o    2.121000      0.5818000       1.764000 0.8020000       2.478000      0.8431000     -0.7136000       1.164000
  1 1 1       7  -20   22 o    1.953000      0.5792000       1.787000 0.8088000       2.118000      0.8293000     -0.3305000       1.158000
  1 1 1       7  -20   23 o    2.921000      0.6358000       3.899000 0.9532000       1.943000      0.8418000       1.956000       1.272000
  1 1 1       7  -20   24 o    2.343000      0.6233000       3.175000 1.020000       1.511000      0.7158000       1.664000       1.247000
  1 1 1       7  -20   25 o    2.812000      0.6548000       2.673000 0.9631000       2.951000      0.8873000     -0.2778000       1.310000
  1 1 1       7  -20   26 o    2.252000      0.6081000       1.936000 0.8415000       2.568000      0.8781000     -0.6317000       1.216000
  1 1 1       7  -19    0 o    7.216000      0.3015000       7.304000 0.4036000       7.128000      0.4480000      0.1752000      0.6030000
  1 1 1       7  -19    1 o    11.84000      0.2784000       12.11000 0.3750000       11.56000      0.4116000      0.5568000      0.5568000
  1 1 1       7  -19    2 o    6.992000      0.3260000       6.711000 0.4538000       7.273000      0.4682000     -0.5622000      0.6520000
  1 1 1       7  -19    3 o    7.416000      0.3445000       6.925000 0.4784000       7.908000      0.4957000     -0.9833000      0.6889000
  1 1 1       7  -19    4 o    2.229000      0.6230000       2.593000 0.9577000       1.865000      0.7972000      0.7283000       1.246000
  1 1 1       7  -19    5 o    3.658000      0.6444000       3.602000 0.9331000       3.715000      0.8891000     -0.1128000       1.289000
  1 1 1       7  -19    6 o    2.891000      0.6532000       2.344000 0.9691000       3.438000      0.8760000      -1.094000       1.306000
  1 1 1       7  -19    7 o    5.921000      0.5692000       5.970000 0.8866000       5.871000      0.7140000      0.9901000E-01   1.138000
  1 1 1       7  -19    8 o    2.741000      0.7459000       3.044000 1.104000       2.438000       1.003000      0.6058000       1.492000
  1 1 1       7  -19    9 o    4.350000      0.6956000       4.800000 0.9112000       3.900000       1.051000      0.9004000       1.391000
  1 1 1       7  -19   10 o    2.954000      0.7285000       2.699000 1.003000       3.209000       1.057000     -0.5105000       1.457000
  1 1 1       7  -19   11 o    8.813000      0.3057000       8.910000 0.4234000       8.717000      0.4412000      0.1924000      0.6115000
  1 1 1       7  -19   12 o    9.697000      0.2807000       9.392000 0.3771000       10.00000      0.4160000     -0.6094000      0.5614000
  1 1 1       7  -19   13 o    4.056000      0.4495000       3.641000 0.6633000       4.472000      0.6070000     -0.8312000      0.8991000
  1 1 1       7  -19   14 o    2.571000      0.4606000       3.343000 0.5807000       1.798000      0.7153000       1.544000      0.9213000
  1 1 1       7  -19   15 o    5.067000      0.3106000       4.697000 0.4697000       5.437000      0.4065000     -0.7406000      0.6212000
  1 1 1       7  -19   16 o    2.340000      0.5221000       2.185000 0.7751000       2.496000      0.6996000     -0.3105000       1.044000
  1 1 1       7  -19   17 o    3.626000      0.4436000       3.785000 0.6792000       3.468000      0.5708000      0.3165000      0.8873000
  1 1 1       7  -19   18 o    4.811000      0.3880000       4.043000 0.6548000       5.579000      0.4165000      -1.536000      0.7760000
  1 1 1       7  -19   19 o    5.930000      0.3447000       5.826000 0.5709000       6.034000      0.3863000     -0.2073000      0.6893000
  1 1 1       7  -19   20 o    3.886000      0.4440000       3.822000 0.7424000       3.949000      0.4873000     -0.1266000      0.8881000
  1 1 1       7  -19   21 f    2.189000      0.5504000       1.604000 0.7382000       2.774000      0.8167000      -1.170000       1.101000
  1 1 1       7  -19   22 o    4.404000      0.5142000       3.977000 0.8539000       4.831000      0.5730000     -0.8545000       1.028000
  1 1 1       7  -19   23 o    2.815000      0.6037000       3.763000 0.9235000       1.867000      0.7779000       1.896000       1.207000
  1 1 1       7  -19   24 o    2.890000      0.6273000       2.510000 0.9587000       3.269000      0.8094000     -0.7591000       1.255000
  1 1 1       7  -19   25 o    2.778000      0.6141000       2.416000 0.9146000       3.140000      0.8198000     -0.7245000       1.228000
  1 1 1       7  -19   26 o    3.302000      0.5854000       3.916000 0.7870000       2.687000      0.8668000       1.229000       1.171000
  1 1 1       7  -19   27 o    2.234000      0.5628000       3.027000 0.8940000       1.441000      0.6839000       1.586000       1.126000
  1 1 1       7  -18    0 o    12.21000      0.2766000       12.56000 0.3487000       11.86000      0.4294000      0.7013000      0.5531000
  1 1 1       7  -18    1 f    14.40000      0.2777000       14.55000 0.3763000       14.26000      0.4086000      0.2875000      0.5554000
  1 1 1       7  -18    2 o    3.971000      0.4257000       3.853000 0.5644000       4.090000      0.6373000     -0.2368000      0.8513000
  1 1 1       7  -18    3 o    7.905000      0.2994000       8.489000 0.4053000       7.321000      0.4407000       1.168000      0.5987000
  1 1 1       7  -18    4 o    7.957000      0.3106000       8.174000 0.4480000       7.740000      0.4304000      0.4347000      0.6212000
  1 1 1       7  -18    5 o    6.799000      0.3619000       6.855000 0.5102000       6.743000      0.5134000      0.1118000      0.7238000
  1 1 1       7  -18    6 f    2.560000      0.6630000       2.770000 0.9943000       2.349000      0.8773000      0.4214000       1.326000
  1 1 1       7  -18    7 o    5.008000      0.6531000       4.671000 1.057000       5.346000      0.7667000     -0.6753000       1.306000
  1 1 1       7  -18    8 o    5.741000      0.5895000       5.540000 0.9166000       5.943000      0.7417000     -0.4027000       1.179000
  1 1 1       7  -18    9 o    6.573000      0.4387000       6.169000 0.6308000       6.977000      0.6097000     -0.8079000      0.8773000
  1 1 1       7  -18   10 o    3.596000      0.7201000       3.107000 1.038000       4.085000      0.9987000     -0.9786000       1.440000
  1 1 1       7  -18   11 o    5.337000      0.4007000       5.512000 0.5264000       5.163000      0.6043000      0.3492000      0.8014000
  1 1 1       7  -18   12 o    10.70000      0.2767000       10.74000 0.3928000       10.66000      0.3899000      0.8363000E-01  0.5534000
  1 1 1       7  -18   13 o    7.484000      0.2903000       6.918000 0.4122000       8.051000      0.4090000      -1.133000      0.5806000
  1 1 1       7  -18   14 o    4.229000      0.3408000       3.984000 0.5105000       4.474000      0.4516000     -0.4907000      0.6816000
  1 1 1       7  -18   15 o    1.345000      0.4212000       1.603000 0.6580000       1.086000      0.5259000      0.5175000      0.8424000
  1 1 1       7  -18   16 o    3.172000      0.5763000       2.240000 1.063000       4.105000      0.4453000      -1.865000       1.153000
  1 1 1       7  -18   17 o    2.488000      0.6953000       2.709000 1.223000       2.266000      0.6613000      0.4429000       1.391000
  1 1 1       7  -18   18 o    5.378000      0.7098000       3.796000 1.377000       6.960000      0.3432000      -3.164000       1.420000
  1 1 1       7  -18   19 o    2.604000      0.7379000       3.888000 1.347000       1.319000      0.6031000       2.569000       1.476000
  1 1 1       7  -18   20 o    4.628000      0.3786000       4.819000 0.6017000       4.437000      0.4596000      0.3824000      0.7571000
  1 1 1       7  -18   21 o    1.580000      0.5040000       1.628000 0.7494000       1.531000      0.6741000      0.9730000E-01   1.008000
  1 1 1       7  -18   22 o    2.265000      0.6023000       2.479000 0.9265000       2.052000      0.7698000      0.4264000       1.205000
  1 1 1       7  -18   23 o    2.232000      0.5809000       2.023000 0.8559000       2.442000      0.7855000     -0.4191000       1.162000
  1 1 1       7  -18   24 o    1.669000      0.5234000       2.001000 0.8406000       1.337000      0.6237000      0.6636000       1.047000
  1 1 1       7  -18   25 o    3.251000      0.5504000       3.784000 0.7785000       2.717000      0.7782000       1.066000       1.101000
  1 1 1       7  -18   26 o    2.492000      0.5445000       1.635000 0.7477000       3.348000      0.7918000      -1.713000       1.089000
  1 1 1       7  -18   27 o    2.476000      0.5881000       3.008000 0.8640000       1.944000      0.7981000       1.063000       1.176000
  1 1 1       7  -18   28 o    2.820000      0.5441000       3.739000 0.7355000       1.902000      0.8020000       1.836000       1.088000
  1 1 1       7  -17    0 o    6.429000      0.2710000       6.310000 0.3600000       6.549000      0.4051000     -0.2395000      0.5420000
  1 1 1       7  -17    1 o    7.802000      0.2530000       7.949000 0.3366000       7.655000      0.3777000      0.2937000      0.5060000
  1 1 1       7  -17    2 o    9.142000      0.2523000       9.052000 0.3447000       9.231000      0.3685000     -0.1789000      0.5046000
  1 1 1       7  -17    3 o    6.050000      0.3133000       6.311000 0.4128000       5.789000      0.4714000      0.5219000      0.6266000
  1 1 1       7  -17    4 f    2.101000      0.8433000       2.101000 0.8433000                  ?              ?              ?              ?
  1 1 1       7  -17    5 o    2.556000      0.5901000       3.085000 0.8867000       2.027000      0.7789000       1.059000       1.180000
  1 1 1       7  -17    6 o    2.277000      0.8251000                  ?       ?   2.277000      0.8251000                  ?              ?
  1 1 1       7  -17    7 o    3.118000      0.7733000       3.348000 1.204000       2.889000      0.9712000      0.4590000       1.547000
  1 1 1       7  -17    8 o    3.410000      0.8924000       3.759000 1.425000       3.062000       1.074000      0.6966000       1.785000
  1 1 1       7  -17    9 o    3.572000      0.9053000       3.876000 1.435000       3.268000       1.104000      0.6084000       1.811000
  1 1 1       7  -17   10 o    4.506000       1.056000       4.543000 1.786000       4.469000       1.128000      0.7452000E-01   2.112000
  1 1 1       7  -17   11 o    8.263000      0.4556000       7.417000 0.3804000       9.108000      0.8281000      -1.691000      0.9112000
  1 1 1       7  -17   12 o    5.117000      0.3491000       4.834000 0.5019000       5.400000      0.4854000     -0.5653000      0.6982000
  1 1 1       7  -17   13 o    6.355000      0.2822000       6.311000 0.3954000       6.398000      0.4028000     -0.8699000E-01  0.5644000
  1 1 1       7  -17   14 o    1.255000      0.4081000       1.171000 0.5552000       1.340000      0.5982000     -0.1695000      0.8162000
  1 1 1       7  -17   15 o    9.711000      0.2459000       9.396000 0.3562000       10.03000      0.3391000     -0.6294000      0.4917000
  1 1 1       7  -17   16 f    7.428000      0.2503000       7.169000 0.3889000       7.686000      0.3151000     -0.5171000      0.5005000
  1 1 1       7  -17   17 o    2.940000      0.4586000       2.607000 0.7654000       3.272000      0.5053000     -0.6645000      0.9171000
  1 1 1       7  -17   18 o    5.853000      0.3033000       5.334000 0.5083000       6.372000      0.3311000      -1.038000      0.6067000
  1 1 1       7  -17   19 o    2.707000      0.5208000       3.207000 0.7913000       2.208000      0.6775000      0.9986000       1.042000
  1 1 1       7  -17   20 o    5.108000      0.3504000       4.958000 0.5829000       5.259000      0.3890000     -0.3014000      0.7008000
  1 1 1       7  -17   21 o    2.419000      0.5301000       1.933000 0.8374000       2.906000      0.6502000     -0.9727000       1.060000
  1 1 1       7  -17   22 o    5.869000      0.4133000       5.111000 0.5221000       6.627000      0.6409000      -1.516000      0.8266000
  1 1 1       7  -17   23 o    6.562000      0.3971000       6.534000 0.5856000       6.590000      0.5365000     -0.5600000E-01  0.7942000
  1 1 1       7  -17   24 o    2.745000      0.6652000       2.475000 0.9548000       3.016000      0.9265000     -0.5406000       1.330000
  1 1 1       7  -17   25 o    1.956000      0.6109000       1.758000 0.8170000       2.155000      0.9084000     -0.3974000       1.222000
  1 1 1       7  -17   26 o    3.530000      0.6751000       3.543000 0.9357000       3.518000      0.9734000      0.2517000E-01   1.350000
  1 1 1       7  -17   27 o    2.855000      0.6582000       2.251000 0.9209000       3.460000      0.9407000      -1.209000       1.316000
  1 1 1       7  -17   28 o    2.193000      0.6032000       2.096000 0.8873000       2.291000      0.8174000     -0.1957000       1.206000
  1 1 1       7  -17   29 o    1.771000      0.5397000       1.952000 0.8047000       1.590000      0.7195000      0.3627000       1.079000
  1 1 1       7  -16    0 o    6.858000      0.2466000       7.221000 0.3220000       6.496000      0.3735000      0.7250000      0.4931000
  1 1 1       7  -16    1 o    11.69000      0.2811000       11.77000 0.3962000       11.61000      0.3988000      0.1583000      0.5622000
  1 1 1       7  -16    2 o    9.866000      0.2692000       9.309000 0.3650000       10.42000      0.3957000      -1.114000      0.5383000
  1 1 1       7  -16    3 o    5.068000      0.3097000       5.208000 0.4335000       4.928000      0.4423000      0.2800000      0.6193000
  1 1 1       7  -16    4 o    2.098000      0.8071000       2.098000 0.8071000                  ?              ?              ?              ?
  1 1 1       7  -16    5 o    4.588000      0.4186000       4.704000 0.5967000       4.472000      0.5872000      0.2322000      0.8372000
  1 1 1       7  -16    6 o    4.523000      0.6155000                  ?       ?   4.523000      0.6155000                  ?              ?
  1 1 1       7  -16    7 o    9.975000      0.3366000       10.55000 0.4933000       9.400000      0.4581000       1.151000      0.6732000
  1 1 1       7  -16    8 o    12.08000      0.3567000       12.85000 0.4961000       11.31000      0.5125000       1.540000      0.7133000
  1 1 1       7  -16    9 o    3.870000      0.5738000       4.683000 0.7062000       3.057000      0.9047000       1.625000       1.148000
  1 1 1       7  -16   10 o    3.196000      0.7978000       3.187000 0.9778000       3.206000       1.261000     -0.1967000E-01   1.596000
  1 1 1       7  -16   11 o    4.688000      0.4264000       4.431000 0.5566000       4.946000      0.6461000     -0.5154000      0.8529000
  1 1 1       7  -16   12 o    5.174000      0.3475000       5.155000 0.4411000       5.192000      0.5371000     -0.3731000E-01  0.6950000
  1 1 1       7  -16   13 f    6.830000      0.2609000       6.806000 0.3637000       6.853000      0.3741000     -0.4776000E-01  0.5217000
  1 1 1       7  -16   14 f    6.365000      0.2449000       6.032000 0.3542000       6.698000      0.3384000     -0.6662000      0.4898000
  1 1 1       7  -16   15 o    8.992000      0.2395000       8.790000 0.3433000       9.195000      0.3340000     -0.4051000      0.4790000
  1 1 1       7  -16   16 o    4.548000      0.2953000       5.016000 0.4388000       4.080000      0.3953000      0.9360000      0.5906000
  1 1 1       7  -16   17 o    2.173000      0.4969000       2.200000 0.7569000       2.146000      0.6440000      0.5403000E-01  0.9938000
  1 1 1       7  -16   18 o    3.426000      0.4501000       3.187000 0.7652000       3.664000      0.4741000     -0.4767000      0.9002000
  1 1 1       7  -16   19 o    10.08000      0.2718000       9.793000 0.4091000       10.36000      0.3580000     -0.5642000      0.5436000
  1 1 1       7  -16   20 o    12.36000      0.3032000       12.30000 0.4546000       12.42000      0.4013000     -0.1232000      0.6064000
  1 1 1       7  -16   21 o    12.19000      0.3156000       11.61000 0.4685000       12.77000      0.4231000      -1.154000      0.6313000
  1 1 1       7  -16   22 o    8.848000      0.3253000       8.237000 0.5172000       9.459000      0.3946000      -1.222000      0.6506000
  1 1 1       7  -16   23 o    6.109000      0.2618000       6.349000 0.4095000       5.869000      0.3263000      0.4798000      0.5236000
  1 1 1       7  -16   24 o    1.551000      0.4848000       1.695000 0.7481000       1.407000      0.6169000      0.2887000      0.9696000
  1 1 1       7  -16   25 o    2.203000      0.5380000       2.193000 0.7961000       2.213000      0.7239000     -0.2043000E-01   1.076000
  1 1 1       7  -16   26 o    3.116000      0.4929000       2.539000 0.8071000       3.694000      0.5660000      -1.155000      0.9858000
  1 1 1       7  -16   27 o    1.594000      0.4880000       1.940000 0.7751000       1.248000      0.5933000      0.6917000      0.9761000
  1 1 1       7  -16   28 o    4.971000      0.3622000       5.208000 0.5259000       4.735000      0.4982000      0.4731000      0.7244000
  1 1 1       7  -16   29 f    7.638000      0.3706000       8.071000 0.5059000       7.205000      0.5417000      0.8660000      0.7412000
  1 1 1       7  -16   30 o    2.386000      0.6648000       2.188000 0.8998000       2.585000      0.9788000     -0.3973000       1.330000
  1 1 1       7  -15    0 o    10.70000      0.2192000       10.86000 0.2982000       10.55000      0.3215000      0.3118000      0.4385000
  1 1 1       7  -15    1 o    6.580000      0.2461000       6.662000 0.3329000       6.498000      0.3625000      0.1640000      0.4922000
  1 1 1       7  -15    2 o    1.944000      0.4838000       2.038000 0.6737000       1.850000      0.6944000      0.1875000      0.9675000
  1 1 1       7  -15    3 o    2.368000      0.7729000       1.453000 0.6064000       3.283000       1.422000      -1.830000       1.546000
  1 1 1       7  -15    4 o    3.543000      0.9896000       4.229000 1.457000       2.858000       1.340000       1.371000       1.979000
  1 1 1       7  -15    5 o    2.941000      0.8823000       2.052000 1.005000       3.831000       1.451000      -1.780000       1.765000
  1 1 1       7  -15    6 o    4.453000      0.9373000       5.235000 1.418000       3.670000       1.226000       1.565000       1.875000
  1 1 1       7  -15    8 o    6.176000      0.4585000       6.613000 0.6583000       5.740000      0.6384000      0.8731000      0.9171000
  1 1 1       7  -15    9 o    5.063000      0.4833000       5.304000 0.6504000       4.823000      0.7151000      0.4809000      0.9666000
  1 1 1       7  -15   10 o    2.686000      0.6184000       3.514000 0.8935000       1.858000      0.8551000       1.657000       1.237000
  1 1 1       7  -15   11 o    4.447000      0.4037000       4.713000 0.4844000       4.181000      0.6459000      0.5315000      0.8074000
  1 1 1       7  -15   12 f    3.646000      0.4132000       3.556000 0.5485000       3.737000      0.6180000     -0.1810000      0.8263000
  1 1 1       7  -15   13 o    5.262000      0.2600000       5.434000 0.3685000       5.091000      0.3669000      0.3421000      0.5200000
  1 1 1       7  -15   14 o    7.738000      0.2234000       8.004000 0.3207000       7.471000      0.3110000      0.5334000      0.4467000
  1 1 1       7  -15   15 o    3.567000      0.3245000       3.654000 0.4722000       3.480000      0.4452000      0.1741000      0.6490000
  1 1 1       7  -15   16 o    6.837000      0.2354000       6.408000 0.3654000       7.265000      0.2968000     -0.8570000      0.4708000
  1 1 1       7  -15   17 o    5.119000      0.2782000       4.919000 0.4457000       5.319000      0.3329000     -0.3997000      0.5563000
  1 1 1       7  -15   18 o    5.196000      0.2946000       4.636000 0.4897000       5.755000      0.3276000      -1.119000      0.5891000
  1 1 1       7  -15   19 o    12.18000      0.2379000       11.90000 0.3606000       12.46000      0.3105000     -0.5627000      0.4759000
  1 1 1       7  -15   20 o    14.08000      0.2461000       14.19000 0.3682000       13.98000      0.3266000      0.2014000      0.4921000
  1 1 1       7  -15   21 o    6.377000      0.2449000       6.359000 0.3824000       6.395000      0.3059000     -0.3614000E-01  0.4897000
  1 1 1       7  -15   22 o    10.50000      0.2133000       10.30000 0.3236000       10.70000      0.2778000     -0.4015000      0.4265000
  1 1 1       7  -15   23 o    3.482000      0.4190000       3.265000 0.6924000       3.700000      0.4721000     -0.4347000      0.8380000
  1 1 1       7  -15   24 o    5.841000      0.4216000       5.537000 0.7107000       6.144000      0.4537000     -0.6077000      0.8432000
  1 1 1       7  -15   25 o    5.851000      0.4414000       5.431000 0.7454000       6.271000      0.4729000     -0.8400000      0.8828000
  1 1 1       7  -15   26 o    5.270000      0.5128000       5.859000 0.8017000       4.681000      0.6398000       1.178000       1.026000
  1 1 1       7  -15   27 o    2.230000      0.6598000       2.624000 1.049000       1.837000      0.8008000      0.7871000       1.320000
  1 1 1       7  -15   28 o    4.166000      0.6564000       4.740000 0.9870000       3.592000      0.8657000       1.148000       1.313000
  1 1 1       7  -15   29 o    3.324000      0.5013000       3.814000 0.6185000       2.834000      0.7891000      0.9797000       1.003000
  1 1 1       7  -15   30 o    3.447000      0.4993000       3.380000 0.7181000       3.515000      0.6938000     -0.1352000      0.9986000
  1 1 1       7  -15   31 o    2.683000      0.5563000       2.131000 0.8134000       3.236000      0.7591000      -1.105000       1.113000
  1 1 1       7  -14    0 o    5.869000      0.4088000       6.616000 0.4428000       5.122000      0.6872000       1.494000      0.8175000
  1 1 1       7  -14    1 o    3.730000      0.8006000       3.292000 0.9922000       4.167000       1.257000     -0.8744000       1.601000
  1 1 1       7  -14    2 o    8.182000      0.4957000       7.789000 0.5438000       8.576000      0.8289000     -0.7870000      0.9914000
  1 1 1       7  -14    3 o    8.208000      0.2312000       8.093000 0.3144000       8.323000      0.3389000     -0.2301000      0.4623000
  1 1 1       7  -14    4 o    1.479000      0.4559000       1.257000 0.5936000       1.701000      0.6922000     -0.4435000      0.9119000
  1 1 1       7  -14    5 o    6.410000      0.2891000       6.408000 0.4187000       6.412000      0.3987000     -0.4423000E-02  0.5782000
  1 1 1       7  -14    6 o    5.279000      0.3422000       5.055000 0.5149000       5.503000      0.4509000     -0.4481000      0.6844000
  1 1 1       7  -14    7 o    3.000000      0.6374000       3.273000 1.015000       2.726000      0.7712000      0.5463000       1.275000
  1 1 1       7  -14    8 f    5.753000      0.4374000       5.992000 0.6982000       5.515000      0.5271000      0.4778000      0.8748000
  1 1 1       7  -14    9 o    4.348000      0.5177000       4.517000 0.6916000       4.179000      0.7706000      0.3376000       1.035000
  1 1 1       7  -14   10 o    6.586000      0.3914000       6.587000 0.4881000       6.585000      0.6119000      0.2026000E-02  0.7828000
  1 1 1       7  -14   11 o    10.38000      0.2634000       10.83000 0.3799000       9.935000      0.3650000      0.8986000      0.5268000
  1 1 1       7  -14   12 o    7.900000      0.2482000       7.894000 0.3287000       7.906000      0.3721000     -0.1204000E-01  0.4965000
  1 1 1       7  -14   13 o    10.15000      0.2378000       10.35000 0.3437000       9.948000      0.3289000      0.4047000      0.4757000
  1 1 1       7  -14   14 f    2.798000      0.3731000       2.581000 0.5690000       3.015000      0.4826000     -0.4339000      0.7462000
  1 1 1       7  -14   15 o    9.445000      0.2234000       9.650000 0.3337000       9.240000      0.2970000      0.4099000      0.4468000
  1 1 1       7  -14   16 o    14.98000      0.2766000       14.94000 0.4197000       15.02000      0.3603000     -0.8154000E-01  0.5531000
  1 1 1       7  -14   17 o    5.176000      0.2582000       5.128000 0.4160000       5.224000      0.3060000     -0.9649000E-01  0.5164000
  1 1 1       7  -14   18 o    1.498000      0.4478000       1.545000 0.6749000       1.452000      0.5888000      0.9340000E-01  0.8957000
  1 1 1       7  -14   19 o    3.326000      0.4277000       3.188000 0.7277000       3.463000      0.4497000     -0.2745000      0.8555000
  1 1 1       7  -14   20 o    4.039000      0.3178000       4.437000 0.4735000       3.640000      0.4240000      0.7979000      0.6356000
  1 1 1       7  -14   21 o    10.93000      0.2070000       10.74000 0.3089000       11.13000      0.2755000     -0.3845000      0.4139000
  1 1 1       7  -14   22 o    13.41000      0.2250000       13.32000 0.3310000       13.49000      0.3048000     -0.1748000      0.4499000
  1 1 1       7  -14   23 o    9.747000      0.2031000       9.882000 0.3044000       9.611000      0.2691000      0.2716000      0.4063000
  1 1 1       7  -14   24 o    8.354000      0.1975000       8.442000 0.2946000       8.266000      0.2630000      0.1763000      0.3949000
  1 1 1       7  -14   25 o    2.946000      0.4046000       3.081000 0.5932000       2.811000      0.5505000      0.2703000      0.8093000
  1 1 1       7  -14   26 o    6.580000      0.2302000       6.660000 0.3448000       6.499000      0.3052000      0.1613000      0.4605000
  1 1 1       7  -14   27 o    3.485000      0.3987000       3.308000 0.6182000       3.662000      0.5037000     -0.3538000      0.7974000
  1 1 1       7  -14   28 o    4.601000      0.3267000       4.571000 0.4753000       4.631000      0.4485000     -0.5974000E-01  0.6535000
  1 1 1       7  -14   29 o    2.023000      0.6225000       1.945000 0.8864000       2.100000      0.8742000     -0.1555000       1.245000
  1 1 1       7  -14   30 o    2.638000      0.6794000       2.788000 1.009000       2.489000      0.9102000      0.2994000       1.359000
  1 1 1       7  -14   31 o    3.072000      0.6681000       4.041000 1.013000       2.104000      0.8710000       1.937000       1.336000
  1 1 1       7  -14   32 o    2.502000      0.5782000       2.568000 0.8151000       2.436000      0.8202000      0.1325000       1.156000
  1 1 1       7  -13    0 o    6.204000      0.1981000       6.321000 0.2681000       6.087000      0.2918000      0.2340000      0.3962000
  1 1 1       7  -13    1 o    4.033000      0.2751000       4.154000 0.3408000       3.912000      0.4319000      0.2419000      0.5502000
  1 1 1       7  -13    2 o    6.444000      0.2227000       6.424000 0.3009000       6.464000      0.3284000     -0.3977000E-01  0.4455000
  1 1 1       7  -13    3 o    3.816000      0.3076000       3.394000 0.4546000       4.237000      0.4144000     -0.8425000      0.6151000
  1 1 1       7  -13    4 f    4.514000      0.3110000       5.026000 0.3968000       4.001000      0.4791000       1.026000      0.6221000
  1 1 1       7  -13    5 o    6.511000      0.4012000       6.511000 0.4012000                  ?              ?              ?              ?
  1 1 1       7  -13    6 o    6.987000      0.2731000       7.161000 0.3895000       6.812000      0.3828000      0.3487000      0.5461000
  1 1 1       7  -13    7 o    8.109000      0.3973000                  ?       ?   8.109000      0.3973000                  ?              ?
  1 1 1       7  -13    8 o    6.408000      0.4064000       6.330000 0.6650000       6.486000      0.4673000     -0.1556000      0.8128000
  1 1 1       7  -13    9 o    10.96000      0.3044000       10.33000 0.3727000       11.60000      0.4814000      -1.267000      0.6088000
  1 1 1       7  -13   10 o    14.52000      0.2905000       14.14000 0.3973000       14.89000      0.4240000     -0.7516000      0.5811000
  1 1 1       7  -13   11 o    9.475000      0.2488000       9.732000 0.3475000       9.219000      0.3561000      0.5138000      0.4976000
  1 1 1       7  -13   12 o    7.843000      0.2352000       7.987000 0.3203000       7.700000      0.3444000      0.2873000      0.4703000
  1 1 1       7  -13   13 o    2.189000      0.4197000       1.787000 0.6387000       2.592000      0.5445000     -0.8052000      0.8393000
  1 1 1       7  -13   14 o    5.692000      0.2146000       5.735000 0.3094000       5.649000      0.2973000      0.8591000E-01  0.4291000
  1 1 1       7  -13   15 o    3.850000      0.2813000       3.638000 0.4599000       4.063000      0.3238000     -0.4248000      0.5625000
  1 1 1       7  -13   16 o    5.175000      0.2316000       5.087000 0.3601000       5.263000      0.2913000     -0.1757000      0.4632000
  1 1 1       7  -13   17 o    5.071000      0.2513000       4.799000 0.4090000       5.343000      0.2919000     -0.5440000      0.5025000
  1 1 1       7  -13   18 o    6.004000      0.2328000       6.147000 0.3682000       5.861000      0.2850000      0.2855000      0.4656000
  1 1 1       7  -13   19 f    8.196000      0.2011000       8.284000 0.3094000       8.108000      0.2570000      0.1759000      0.4022000
  1 1 1       7  -13   20 f    9.423000      0.1916000       9.422000 0.2860000       9.424000      0.2549000     -0.1350000E-02  0.3831000
  1 1 1       7  -13   21 o    5.003000      0.2512000       4.860000 0.4094000       5.145000      0.2912000     -0.2848000      0.5024000
  1 1 1       7  -13   22 o    7.323000      0.1937000       7.314000 0.2927000       7.333000      0.2537000     -0.1834000E-01  0.3873000
  1 1 1       7  -13   23 o    6.017000      0.2003000       5.956000 0.3007000       6.078000      0.2648000     -0.1221000      0.4007000
  1 1 1       7  -13   24 o    2.192000      0.4063000       2.827000 0.5512000       1.557000      0.5970000       1.270000      0.8125000
  1 1 1       7  -13   25 o    3.493000      0.3287000       3.581000 0.4741000       3.405000      0.4554000      0.1761000      0.6574000
  1 1 1       7  -13   26 o    1.734000      0.4586000       1.940000 0.6707000       1.528000      0.6257000      0.4115000      0.9172000
  1 1 1       7  -13   27 o    3.695000      0.3737000       4.642000 0.4027000       2.747000      0.6297000       1.896000      0.7475000
  1 1 1       7  -13   28 f    3.485000      0.3895000       3.098000 0.6024000       3.872000      0.4940000     -0.7744000      0.7791000
  1 1 1       7  -13   29 o    2.099000      0.5301000       2.021000 0.7446000       2.178000      0.7548000     -0.1569000       1.060000
  1 1 1       7  -13   30 o    4.220000      0.3797000       4.387000 0.5116000       4.054000      0.5612000      0.3334000      0.7594000
  1 1 1       7  -13   31 o    1.404000      0.4534000       1.546000 0.6796000       1.261000      0.6004000      0.2850000      0.9068000
  1 1 1       7  -13   32 o    3.781000      0.6277000       2.839000 1.039000       4.723000      0.7045000      -1.884000       1.255000
  1 1 1       7  -12    0 o    11.06000      0.1916000       10.87000 0.2622000       11.26000      0.2793000     -0.3903000      0.3831000
  1 1 1       7  -12    1 o    10.48000      0.1893000       10.74000 0.2634000       10.23000      0.2720000      0.5159000      0.3787000
  1 1 1       7  -12    2 o    11.29000      0.2068000       11.55000 0.2793000       11.03000      0.3051000      0.5261000      0.4136000
  1 1 1       7  -12    3 o    3.987000      0.2709000       3.685000 0.3822000       4.289000      0.3839000     -0.6046000      0.5417000
  1 1 1       7  -12    4 o    4.305000      0.2762000       4.516000 0.3533000       4.094000      0.4245000      0.4220000      0.5523000
  1 1 1       7  -12    5 f    15.86000      0.3783000       15.86000 0.3783000                  ?              ?              ?              ?
  1 1 1       7  -12    6 o    8.262000      0.2497000       8.077000 0.3510000       8.446000      0.3551000     -0.3691000      0.4993000
  1 1 1       7  -12    7 o    9.497000      0.3749000                  ?       ?   9.497000      0.3749000                  ?              ?
  1 1 1       7  -12    8 o    10.35000      0.3131000       10.45000 0.4640000       10.26000      0.4203000      0.1940000      0.6261000
  1 1 1       7  -12    9 o    5.297000      0.3869000       5.489000 0.5418000       5.106000      0.5525000      0.3834000      0.7738000
  1 1 1       7  -12   10 o    3.052000      0.5953000       3.806000 0.7138000       2.298000      0.9528000       1.508000       1.191000
  1 1 1       7  -12   11 o    3.920000      0.3438000       4.023000 0.4447000       3.817000      0.5245000      0.2056000      0.6876000
  1 1 1       7  -12   12 o    7.784000      0.2246000       7.483000 0.3139000       8.084000      0.3212000     -0.6017000      0.4491000
  1 1 1       7  -12   13 o    6.122000      0.2017000       6.039000 0.2902000       6.205000      0.2801000     -0.1660000      0.4033000
  1 1 1       7  -12   14 o    9.427000      0.2118000       9.326000 0.3091000       9.527000      0.2897000     -0.2014000      0.4236000
  1 1 1       7  -12   15 o    7.769000      0.2042000       7.748000 0.3080000       7.790000      0.2681000     -0.4193000E-01  0.4084000
  1 1 1       7  -12   16 o    7.080000      0.2078000       6.947000 0.3204000       7.214000      0.2647000     -0.2670000      0.4156000
  1 1 1       7  -12   17 o    3.632000      0.3227000       3.349000 0.5475000       3.915000      0.3418000     -0.5660000      0.6455000
  1 1 1       7  -12   18 o    3.392000      0.3784000       2.656000 0.6706000       4.127000      0.3507000      -1.472000      0.7567000
  1 1 1       7  -12   19 o    16.01000      0.2378000       15.97000 0.3429000       16.06000      0.3296000     -0.9193000E-01  0.4756000
  1 1 1       7  -12   20 o    10.27000      0.1881000       10.41000 0.2827000       10.12000      0.2484000      0.2911000      0.3763000
  1 1 1       7  -12   21 o    4.164000      0.2346000       4.447000 0.3431000       3.882000      0.3200000      0.5653000      0.4692000
  1 1 1       7  -12   22 o    10.44000      0.1841000       10.39000 0.2669000       10.49000      0.2536000     -0.9947000E-01  0.3682000
  1 1 1       7  -12   23 o    5.546000      0.1949000       5.693000 0.2863000       5.399000      0.2645000      0.2943000      0.3898000
  1 1 1       7  -12   24 o    7.837000      0.1825000       7.710000 0.2656000       7.964000      0.2503000     -0.2534000      0.3650000
  1 1 1       7  -12   25 o    9.353000      0.1912000       9.499000 0.2781000       9.207000      0.2624000      0.2918000      0.3823000
  1 1 1       7  -12   26 o    3.148000      0.3484000       3.496000 0.4223000       2.799000      0.5543000      0.6971000      0.6968000
  1 1 1       7  -12   27 o    4.842000      0.2632000       5.147000 0.3559000       4.537000      0.3880000      0.6100000      0.5265000
  1 1 1       7  -12   28 o    2.881000      0.4399000       2.741000 0.6394000       3.022000      0.6042000     -0.2811000      0.8797000
  1 1 1       7  -12   29 o    1.702000      0.4874000       1.561000 0.6558000       1.842000      0.7213000     -0.2816000      0.9748000
  1 1 1       7  -12   30 o    5.602000      0.2817000       5.467000 0.4021000       5.737000      0.3946000     -0.2708000      0.5634000
  1 1 1       7  -12   31 o    2.006000      0.5429000       1.729000 0.7365000       2.283000      0.7978000     -0.5541000       1.086000
  1 1 1       7  -12   32 o    2.275000      0.5555000       2.642000 0.7989000       1.907000      0.7722000      0.7347000       1.111000
  1 1 1       7  -12   33 o    3.075000      0.5326000       3.706000 0.6662000       2.443000      0.8312000       1.263000       1.065000
  1 1 1       7  -11    0 o    2.086000      0.3729000       2.013000 0.5169000       2.159000      0.5375000     -0.1457000      0.7457000
  1 1 1       7  -11    1 o    15.52000      0.2317000       15.47000 0.3233000       15.56000      0.3321000     -0.9163000E-01  0.4634000
  1 1 1       7  -11    2 o    14.00000      0.2164000       14.06000 0.3010000       13.94000      0.3110000      0.1262000      0.4328000
  1 1 1       7  -11    3 o    3.080000      0.3178000       3.155000 0.4150000       3.004000      0.4815000      0.1502000      0.6356000
  1 1 1       7  -11    4 o    9.548000      0.2022000       9.551000 0.2629000       9.545000      0.3074000      0.6710000E-02  0.4045000
  1 1 1       7  -11    5 o    4.932000      0.2741000       5.125000 0.3828000       4.738000      0.3924000      0.3868000      0.5482000
  1 1 1       7  -11    6 o    4.247000      0.3377000       4.271000 0.5019000       4.222000      0.4519000      0.4881000E-01  0.6754000
  1 1 1       7  -11    7 o    1.741000      0.5043000       1.754000 0.7431000       1.728000      0.6821000      0.2555000E-01   1.009000
  1 1 1       7  -11    8 f    4.579000      0.4914000       4.867000 0.7759000       4.290000      0.6033000      0.5776000      0.9828000
  1 1 1       7  -11    9 o    7.685000      0.2949000       7.819000 0.4212000       7.550000      0.4129000      0.2697000      0.5898000
  1 1 1       7  -11   10 o    11.55000      0.2802000       11.70000 0.3781000       11.40000      0.4135000      0.2962000      0.5603000
  1 1 1       7  -11   11 o    9.803000      0.2291000       9.870000 0.3272000       9.737000      0.3207000      0.1331000      0.4582000
  1 1 1       7  -11   12 o    7.915000      0.2144000       7.885000 0.2929000       7.945000      0.3131000     -0.5955000E-01  0.4287000
  1 1 1       7  -11   13 o    4.543000      0.1997000       4.734000 0.2734000       4.353000      0.2911000      0.3802000      0.3994000
  1 1 1       7  -11   14 f    11.14000      0.2282000       11.22000 0.3421000       11.06000      0.3021000      0.1551000      0.4564000
  1 1 1       7  -11   15 o    2.473000      0.3591000       2.323000 0.5827000       2.624000      0.4199000     -0.3013000      0.7182000
  1 1 1       7  -11   16 o    10.12000      0.2044000       9.829000 0.3109000       10.41000      0.2655000     -0.5838000      0.4089000
  1 1 1       7  -11   17 o    3.592000      0.3084000       3.437000 0.5158000       3.747000      0.3381000     -0.3096000      0.6168000
  1 1 1       7  -11   18 o    4.919000      0.2142000       4.675000 0.3427000       5.162000      0.2569000     -0.4863000      0.4283000
  1 1 1       7  -11   19 o    11.66000      0.1935000       11.43000 0.2825000       11.90000      0.2647000     -0.4784000      0.3871000
  1 1 1       7  -11   20 o    2.699000      0.3498000       2.110000 0.5995000       3.288000      0.3607000      -1.178000      0.6996000
  1 1 1       7  -11   21 o    4.507000      0.1954000       4.660000 0.2816000       4.353000      0.2710000      0.3072000      0.3908000
  1 1 1       7  -11   22 o    7.295000      0.1689000       7.553000 0.2484000       7.038000      0.2288000      0.5150000      0.3377000
  1 1 1       7  -11   23 o    5.679000      0.3179000       5.777000 0.5812000       5.582000      0.2580000      0.1952000      0.6359000
  1 1 1       7  -11   24 o    1.520000      0.3957000       1.255000 0.5215000       1.785000      0.5954000     -0.5292000      0.7915000
  1 1 1       7  -11   25 o    10.16000      0.1888000       10.16000 0.2762000       10.15000      0.2576000      0.1356000E-01  0.3776000
  1 1 1       7  -11   26 o    3.636000      0.2913000       3.580000 0.4021000       3.693000      0.4215000     -0.1125000      0.5825000
  1 1 1       7  -11   27 o    6.834000      0.2034000       6.918000 0.2787000       6.750000      0.2963000      0.1674000      0.4068000
  1 1 1       7  -11   28 f    7.218000      0.2111000       7.070000 0.2904000       7.367000      0.3065000     -0.2975000      0.4223000
  1 1 1       7  -11   29 o    1.867000      0.5017000       1.999000 0.7199000       1.734000      0.6988000      0.2653000       1.003000
  1 1 1       7  -11   30 o    5.037000      0.3025000       5.028000 0.4156000       5.045000      0.4397000     -0.1715000E-01  0.6051000
  1 1 1       7  -11   31 o    5.101000      0.3144000       5.083000 0.4180000       5.118000      0.4699000     -0.3464000E-01  0.6289000
  1 1 1       7  -11   32 o    3.041000      0.5356000       2.918000 0.7415000       3.164000      0.7730000     -0.2463000       1.071000
  1 1 1       7  -11   33 o    2.612000      0.4954000       1.621000 0.7140000       3.603000      0.6869000      -1.982000      0.9908000
  1 1 1       7  -10    0 o    7.099000      0.1575000       7.068000 0.2163000       7.129000      0.2290000     -0.6081000E-01  0.3150000
  1 1 1       7  -10    1 f    9.266000      0.1693000       9.215000 0.2344000       9.317000      0.2444000     -0.1019000      0.3386000
  1 1 1       7  -10    2 o    10.09000      0.1766000       10.01000 0.2430000       10.18000      0.2564000     -0.1737000      0.3532000
  1 1 1       7  -10    3 o    12.43000      0.2012000       12.33000 0.2734000       12.53000      0.2952000     -0.2086000      0.4023000
  1 1 1       7  -10    4 o    6.691000      0.1896000       6.637000 0.2524000       6.745000      0.2831000     -0.1081000      0.3793000
  1 1 1       7  -10    5 o    3.808000      0.2749000       4.078000 0.3593000       3.538000      0.4162000      0.5394000      0.5498000
  1 1 1       7  -10    6 o    1.471000      0.4121000       1.996000 0.6808000      0.9461000      0.4645000       1.050000      0.8242000
  1 1 1       7  -10    7 o    4.967000      0.3027000       5.147000 0.4494000       4.787000      0.4057000      0.3598000      0.6055000
  1 1 1       7  -10    8 o    8.748000      0.2999000       8.803000 0.4450000       8.694000      0.4021000      0.1091000      0.5998000
  1 1 1       7  -10    9 o    8.908000      0.3528000       8.744000 0.6041000       9.072000      0.3646000     -0.3273000      0.7056000
  1 1 1       7  -10   10 o    2.947000      0.5999000       2.855000 0.7677000       3.040000      0.9220000     -0.1851000       1.200000
  1 1 1       7  -10   11 o    8.077000      0.2160000       8.214000 0.3053000       7.940000      0.3055000      0.2737000      0.4319000
  1 1 1       7  -10   12 o    3.974000      0.2606000       4.175000 0.3444000       3.774000      0.3913000      0.4014000      0.5213000
  1 1 1       7  -10   13 o    5.673000      0.1808000       5.663000 0.2593000       5.683000      0.2521000     -0.1941000E-01  0.3617000
  1 1 1       7  -10   14 o    1.263000      0.3557000       1.205000 0.5122000       1.321000      0.4937000     -0.1153000      0.7114000
  1 1 1       7  -10   15 o    2.885000      0.2940000       3.086000 0.4439000       2.684000      0.3855000      0.4019000      0.5880000
  1 1 1       7  -10   16 o    10.22000      0.1999000       10.42000 0.3099000       10.02000      0.2526000      0.4025000      0.3998000
  1 1 1       7  -10   17 o    1.103000      0.3534000       1.092000 0.5122000       1.114000      0.4872000     -0.2166000E-01  0.7069000
  1 1 1       7  -10   18 o    7.463000      0.1688000       7.558000 0.2561000       7.367000      0.2200000      0.1918000      0.3376000
  1 1 1       7  -10   19 f    5.649000      0.1782000       5.557000 0.2758000       5.740000      0.2256000     -0.1834000      0.3563000
  1 1 1       7  -10   20 o    7.764000      0.1611000       7.673000 0.2380000       7.854000      0.2172000     -0.1810000      0.3223000
  1 1 1       7  -10   21 o    7.141000      0.1650000       7.111000 0.2474000       7.171000      0.2185000     -0.5979000E-01  0.3300000
  1 1 1       7  -10   22 o    8.411000      0.1678000       8.339000 0.2418000       8.484000      0.2328000     -0.1455000      0.3356000
  1 1 1       7  -10   23 o    9.494000      0.1766000       9.595000 0.2574000       9.394000      0.2418000      0.2004000      0.3531000
  1 1 1       7  -10   24 o    4.178000      0.2240000       3.902000 0.3275000       4.453000      0.3057000     -0.5503000      0.4480000
  1 1 1       7  -10   25 o    6.604000      0.1865000       6.432000 0.2587000       6.776000      0.2687000     -0.3439000      0.3730000
  1 1 1       7  -10   26 o    4.916000      0.2171000       4.548000 0.3002000       5.283000      0.3138000     -0.7349000      0.4343000
  1 1 1       7  -10   27 o    5.719000      0.2156000       5.462000 0.2885000       5.975000      0.3205000     -0.5129000      0.4312000
  1 1 1       7  -10   28 o    5.771000      0.2348000       5.994000 0.3049000       5.548000      0.3573000      0.4456000      0.4697000
  1 1 1       7  -10   29 o    2.218000      0.5009000       2.125000 0.6977000       2.311000      0.7188000     -0.1856000       1.002000
  1 1 1       7  -10   30 o    7.559000      0.2280000       7.629000 0.3114000       7.489000      0.3331000      0.1406000      0.4560000
  1 1 1       7  -10   31 o    4.841000      0.3155000       4.791000 0.4183000       4.890000      0.4725000     -0.9976000E-01  0.6311000
  1 1 1       7  -10   32 o    3.033000      0.4984000       2.773000 0.7225000       3.294000      0.6867000     -0.5212000      0.9968000
  1 1 1       7  -10   33 o    1.821000      0.5182000       1.924000 0.7423000       1.719000      0.7233000      0.2045000       1.036000
  1 1 1       7  -10   34 o    4.665000      0.5045000       4.665000 0.5045000                  ?              ?              ?              ?
  1 1 1       7   -9    0 o    8.940000      0.1611000       8.986000 0.2250000       8.894000      0.2307000      0.9226000E-01  0.3223000
  1 1 1       7   -9    1 o    10.84000      0.1739000       10.94000 0.2456000       10.73000      0.2462000      0.2142000      0.3478000
  1 1 1       7   -9    2 f    4.851000      0.1748000       5.039000 0.2293000       4.662000      0.2638000      0.3763000      0.3495000
  1 1 1       7   -9    3 o    4.512000      0.1838000       4.635000 0.2375000       4.388000      0.2806000      0.2470000      0.3676000
  1 1 1       7   -9    4 o    12.06000      0.2012000       12.14000 0.2743000       11.99000      0.2943000      0.1500000      0.4023000
  1 1 1       7   -9    5 o    11.94000      0.2063000       12.25000 0.2801000       11.63000      0.3031000      0.6188000      0.4127000
  1 1 1       7   -9    6 o    11.24000      0.3058000       11.24000 0.3058000                  ?              ?              ?              ?
  1 1 1       7   -9    7 o    5.733000      0.2420000       5.809000 0.3525000       5.656000      0.3316000      0.1525000      0.4839000
  1 1 1       7   -9    8 o    11.50000      0.3826000                  ?       ?   11.50000      0.3826000                  ?              ?
  1 1 1       7   -9    9 o    8.974000      0.3360000       8.995000 0.5447000       8.953000      0.3935000      0.4169000E-01  0.6719000
  1 1 1       7   -9   10 o    6.925000      0.2928000       6.948000 0.3784000       6.902000      0.4468000      0.4606000E-01  0.5855000
  1 1 1       7   -9   11 o    4.810000      0.9015000       5.264000 1.761000       4.356000      0.3888000      0.9085000       1.803000
  1 1 1       7   -9   12 o    8.525000      0.9358000       7.808000 1.705000       9.241000      0.7716000      -1.432000       1.872000
  1 1 1       7   -9   13 o    4.999000       1.110000       5.362000 1.901000       4.636000       1.147000      0.7259000       2.220000
  1 1 1       7   -9   14 o    10.48000      0.5625000                  ?       ?   10.48000      0.5625000                  ?              ?
  1 1 1       7   -9   15 o    7.485000      0.4231000       7.923000 0.7204000       7.047000      0.4439000      0.8756000      0.8462000
  1 1 1       7   -9   16 o    7.783000      0.3098000       7.682000 0.4927000       7.884000      0.3756000     -0.2018000      0.6195000
  1 1 1       7   -9   17 o    5.778000      0.1743000       5.692000 0.2741000       5.865000      0.2154000     -0.1734000      0.3486000
  1 1 1       7   -9   18 o    7.775000      0.1642000       7.505000 0.2459000       8.045000      0.2175000     -0.5394000      0.3283000
  1 1 1       7   -9   19 o    11.44000      0.1811000       11.29000 0.2596000       11.58000      0.2524000     -0.2884000      0.3621000
  1 1 1       7   -9   20 o    15.71000      0.2285000       15.84000 0.3295000       15.57000      0.3166000      0.2776000      0.4569000
  1 1 1       7   -9   21 o    5.172000      0.1696000       5.167000 0.2368000       5.176000      0.2429000     -0.8824000E-02  0.3392000
  1 1 1       7   -9   22 o    4.520000      0.1840000       4.495000 0.2525000       4.545000      0.2676000     -0.5013000E-01  0.3679000
  1 1 1       7   -9   23 o    9.254000      0.1741000       9.132000 0.2463000       9.375000      0.2461000     -0.2433000      0.3482000
  1 1 1       7   -9   24 o    6.820000      0.1775000       6.986000 0.2417000       6.654000      0.2601000      0.3318000      0.3551000
  1 1 1       7   -9   25 o    7.697000      0.1782000       7.768000 0.2511000       7.627000      0.2529000      0.1402000      0.3564000
  1 1 1       7   -9   26 o    6.391000      0.2025000       6.288000 0.2808000       6.494000      0.2918000     -0.2069000      0.4049000
  1 1 1       7   -9   27 o    3.746000      0.3046000       3.703000 0.3951000       3.789000      0.4637000     -0.8601000E-01  0.6092000
  1 1 1       7   -9   28 o    4.537000      0.2785000       4.525000 0.3664000       4.548000      0.4195000     -0.2280000E-01  0.5569000
  1 1 1       7   -9   29 o    1.849000      0.4769000       1.506000 0.6268000       2.192000      0.7190000     -0.6855000      0.9539000
  1 1 1       7   -9   30 o    6.824000      0.2401000       6.932000 0.3324000       6.717000      0.3466000      0.2155000      0.4802000
  1 1 1       7   -9   31 o    6.038000      0.2674000       6.162000 0.3592000       5.915000      0.3961000      0.2466000      0.5347000
  1 1 1       7   -9   32 o    3.819000      0.4062000       3.989000 0.5141000       3.649000      0.6290000      0.3397000      0.8123000
  1 1 1       7   -9   33 o    2.679000      0.5319000       2.996000 0.7078000       2.362000      0.7941000      0.6337000       1.064000
  1 1 1       7   -9   34 o    5.455000      0.4196000       5.455000 0.4196000                  ?              ?              ?              ?
  1 1 1       7   -8    0 o    17.04000      0.2423000       17.10000 0.3428000       16.98000      0.3425000      0.1250000      0.4846000
  1 1 1       7   -8    1 o    18.64000      0.2617000       18.56000 0.3675000       18.71000      0.3725000     -0.1496000      0.5233000
  1 1 1       7   -8    2 o    6.736000      0.1463000       6.906000 0.2030000       6.565000      0.2108000      0.3416000      0.2926000
  1 1 1       7   -8    3 o    8.860000      0.2068000       8.553000 0.2176000       9.167000      0.3518000     -0.6132000      0.4137000
  1 1 1       7   -8    4 o    13.17000      0.1991000       13.40000 0.2813000       12.93000      0.2820000      0.4684000      0.3983000
  1 1 1       7   -8    5 o    9.836000      0.2240000       10.09000 0.3207000       9.578000      0.3128000      0.5167000      0.4480000
  1 1 1       7   -8    6 o    14.34000      0.4220000       14.34000 0.4220000                  ?              ?              ?              ?
  1 1 1       7   -8    7 o    18.31000      0.3651000       18.39000 0.5217000       18.22000      0.5109000      0.1690000      0.7302000
  1 1 1       7   -8    8 o    4.098000      0.4452000                  ?       ?   4.098000      0.4452000                  ?              ?
  1 1 1       7   -8    9 o    8.023000      0.3288000       7.752000 0.5470000       8.294000      0.3651000     -0.5419000      0.6576000
  1 1 1       7   -8   10 o    12.47000      0.2467000       12.51000 0.3531000       12.42000      0.3446000      0.9572000E-01  0.4934000
  1 1 1       7   -8   11 f    14.88000      0.2505000       14.77000 0.3723000       14.99000      0.3353000     -0.2252000      0.5010000
  1 1 1       7   -8   12 o    4.865000      0.1827000       5.092000 0.2544000       4.638000      0.2621000      0.4539000      0.3653000
  1 1 1       7   -8   13 f    6.963000      0.1743000       7.063000 0.2574000       6.862000      0.2349000      0.2003000      0.3485000
  1 1 1       7   -8   14 o    5.601000      0.1734000       5.507000 0.2672000       5.695000      0.2211000     -0.1879000      0.3468000
  1 1 1       7   -8   15 o    5.480000      0.1799000       5.546000 0.2858000       5.413000      0.2187000      0.1327000      0.3598000
  1 1 1       7   -8   16 o    2.444000      0.3091000       2.163000 0.5213000       2.725000      0.3323000     -0.5624000      0.6182000
  1 1 1       7   -8   17 o    3.458000      0.1998000       3.694000 0.3042000       3.223000      0.2590000      0.4711000      0.3996000
  1 1 1       7   -8   19 o    6.418000      0.1857000       6.015000 0.2647000       6.821000      0.2605000     -0.8065000      0.3713000
  1 1 1       7   -8   20 o    10.11000      0.2201000       10.09000 0.3079000       10.13000      0.3145000     -0.3441000E-01  0.4401000
  1 1 1       7   -8   21 o    13.52000      0.2751000       13.67000 0.3908000       13.37000      0.3874000      0.2921000      0.5503000
  1 1 1       7   -8   22 o    3.892000      0.2529000       3.343000 0.3505000       4.442000      0.3647000      -1.098000      0.5058000
  1 1 1       7   -8   23 o    8.830000      0.1735000       8.858000 0.2469000       8.801000      0.2439000      0.5736000E-01  0.3471000
  1 1 1       7   -8   24 o    8.380000      0.1790000       8.461000 0.2579000       8.299000      0.2482000      0.1625000      0.3579000
  1 1 1       7   -8   25 o    8.051000      0.1858000       8.266000 0.2599000       7.837000      0.2655000      0.4287000      0.3716000
  1 1 1       7   -8   26 o    4.599000      0.2359000       4.688000 0.3084000       4.510000      0.3571000      0.1783000      0.4718000
  1 1 1       7   -8   27 o    5.463000      0.2236000       5.422000 0.3054000       5.504000      0.3265000     -0.8194000E-01  0.4471000
  1 1 1       7   -8   28 o    8.357000      0.2062000       8.355000 0.2864000       8.359000      0.2967000     -0.3671000E-02  0.4124000
  1 1 1       7   -8   29 o    6.811000      0.2243000       7.057000 0.2958000       6.564000      0.3372000      0.4930000      0.4486000
  1 1 1       7   -8   30 o    1.999000      0.4793000       2.402000 0.6807000       1.597000      0.6750000      0.8052000      0.9586000
  1 1 1       7   -8   31 o    12.55000      0.2342000       12.42000 0.3365000       12.68000      0.3259000     -0.2604000      0.4685000
  1 1 1       7   -8   32 f    4.807000      0.3177000       4.877000 0.4356000       4.737000      0.4625000      0.1398000      0.6353000
  1 1 1       7   -8   33 o    4.312000      0.3746000       4.609000 0.4998000       4.016000      0.5580000      0.5929000      0.7491000
  1 1 1       7   -8   34 o    3.879000      0.4304000       3.835000 0.5880000       3.923000      0.6286000     -0.8802000E-01  0.8608000
  1 1 1       7   -8   35 o    2.223000      0.5476000       2.403000 0.7685000       2.043000      0.7803000      0.3601000       1.095000
  1 1 1       7   -7    0 o    19.89000      0.2774000       19.80000 0.3902000       19.98000      0.3944000     -0.1825000      0.5548000
  1 1 1       7   -7    1 o    21.23000      0.2936000       21.26000 0.4149000       21.20000      0.4153000      0.6160000E-01  0.5871000
  1 1 1       7   -7    2 o    31.18000      0.5969000       31.13000 0.8419000       31.23000      0.8465000     -0.1073000       1.194000
  1 1 1       7   -7    3 o    9.442000      0.2187000       9.673000 0.3101000       9.211000      0.3085000      0.4628000      0.4374000
  1 1 1       7   -7    4 o    6.065000      0.1890000       6.076000 0.2631000       6.053000      0.2713000      0.2345000E-01  0.3779000
  1 1 1       7   -7    5 o    12.62000      0.1959000       12.58000 0.2683000       12.67000      0.2856000     -0.9873000E-01  0.3919000
  1 1 1       7   -7    6 o    8.790000      0.1734000       8.879000 0.2314000       8.701000      0.2583000      0.1786000      0.3468000
  1 1 1       7   -7    7 o    11.50000      0.2172000       11.66000 0.2915000       11.34000      0.3222000      0.3174000      0.4345000
  1 1 1       7   -7    8 o    1.841000      0.4045000       1.246000 0.5802000       2.435000      0.5637000      -1.189000      0.8090000
  1 1 1       7   -7    9 o    12.11000      0.4738000       12.11000 0.4738000                  ?              ?              ?              ?
  1 1 1       7   -7   10 o    13.99000      0.3349000       13.75000 0.4158000       14.22000      0.5250000     -0.4754000      0.6697000
  1 1 1       7   -7   11 o    4.571000      0.2264000       4.863000 0.2603000       4.278000      0.3704000      0.5852000      0.4527000
  1 1 1       7   -7   12 o    8.808000      0.1939000       9.062000 0.2761000       8.553000      0.2724000      0.5091000      0.3879000
  1 1 1       7   -7   13 o    4.742000      0.1694000       5.057000 0.2450000       4.427000      0.2341000      0.6300000      0.3388000
  1 1 1       7   -7   14 o    8.262000      0.1960000       8.559000 0.2899000       7.964000      0.2639000      0.5947000      0.3921000
  1 1 1       7   -7   15 o    3.921000      0.2379000       3.580000 0.3826000       4.261000      0.2827000     -0.6819000      0.4758000
  1 1 1       7   -7   16 o    4.751000      0.2310000       4.475000 0.3659000       5.026000      0.2820000     -0.5509000      0.4619000
  1 1 1       7   -7   17 o    1.784000      0.4290000       1.756000 0.6478000       1.811000      0.5626000     -0.5546000E-01  0.8580000
  1 1 1       7   -7   18 o    10.17000      0.1616000       10.27000 0.2337000       10.07000      0.2232000      0.1994000      0.3232000
  1 1 1       7   -7   19 o    4.753000      0.1495000       4.686000 0.2104000       4.821000      0.2126000     -0.1350000      0.2991000
  1 1 1       7   -7   20 o    11.99000      0.1850000       12.10000 0.2659000       11.88000      0.2572000      0.2105000      0.3699000
  1 1 1       7   -7   21 o    7.533000      0.1567000       7.386000 0.2212000       7.681000      0.2221000     -0.2947000      0.3135000
  1 1 1       7   -7   22 o    6.448000      0.2078000       6.473000 0.2763000       6.424000      0.3105000      0.4808000E-01  0.4157000
  1 1 1       7   -7   23 o    9.102000      0.2261000       9.107000 0.3047000       9.097000      0.3342000      0.9825000E-02  0.4522000
  1 1 1       7   -7   24 o    12.00000      0.2636000       12.07000 0.3651000       11.94000      0.3803000      0.1338000      0.5272000
  1 1 1       7   -7   25 o    4.912000      0.2155000       4.833000 0.2844000       4.992000      0.3238000     -0.1586000      0.4310000
  1 1 1       7   -7   26 o    6.995000      0.1902000       6.916000 0.2623000       7.075000      0.2755000     -0.1582000      0.3804000
  1 1 1       7   -7   27 o    8.406000      0.1966000       8.249000 0.2743000       8.564000      0.2818000     -0.3150000      0.3932000
  1 1 1       7   -7   28 o    8.297000      0.2044000       8.439000 0.2789000       8.155000      0.2989000      0.2840000      0.4088000
  1 1 1       7   -7   29 o    9.549000      0.2089000       9.517000 0.2960000       9.582000      0.2949000     -0.6477000E-01  0.4179000
  1 1 1       7   -7   30 o    1.652000      0.4530000       1.988000 0.6747000       1.316000      0.6046000      0.6720000      0.9060000
  1 1 1       7   -7   31 o    6.005000      0.2596000       5.875000 0.3497000       6.136000      0.3837000     -0.2608000      0.5191000
  1 1 1       7   -7   32 o    1.916000      0.4934000       1.407000 0.6289000       2.426000      0.7604000      -1.019000      0.9868000
  1 1 1       7   -7   33 o    2.370000      0.5348000       2.363000 0.7439000       2.376000      0.7685000     -0.1341000E-01   1.070000
  1 1 1       7   -7   34 o    1.707000      0.5039000       1.716000 0.7170000       1.698000      0.7082000      0.1788000E-01   1.008000
  1 1 1       7   -7   35 o    1.719000      0.4999000       2.010000 0.7533000       1.427000      0.6573000      0.5827000      0.9997000
  1 1 1       7   -6    0 o    12.51000      0.2718000       12.35000 0.3764000       12.67000      0.3920000     -0.3232000      0.5435000
  1 1 1       7   -6    1 o    19.75000      0.3908000       19.78000 0.5509000       19.73000      0.5543000      0.4565000E-01  0.7815000
  1 1 1       7   -6    2 o    7.314000      0.1384000       7.314000 0.1939000       7.314000      0.1976000      0.2885000E-03  0.2768000
  1 1 1       7   -6    3 o    18.48000      0.2564000       18.44000 0.3613000       18.52000      0.3638000     -0.7467000E-01  0.5127000
  1 1 1       7   -6    4 o    27.54000      0.5282000       26.25000 0.7111000       28.84000      0.7813000      -2.585000       1.056000
  1 1 1       7   -6    5 o    15.96000      0.3226000       15.60000 0.4406000       16.33000      0.4714000     -0.7320000      0.6452000
  1 1 1       7   -6    6 o    18.58000      0.3853000       18.63000 0.5254000       18.52000      0.5638000      0.1088000      0.7707000
  1 1 1       7   -6    7 o    24.21000      0.5194000       23.72000 0.6658000       24.70000      0.7974000     -0.9812000       1.039000
  1 1 1       7   -6    8 o    7.621000      0.2107000       7.228000 0.3164000       8.013000      0.2783000     -0.7856000      0.4213000
  1 1 1       7   -6    9 o    6.498000      0.3061000       6.439000 0.5168000       6.557000      0.3282000     -0.1180000      0.6122000
  1 1 1       7   -6   10 o    11.17000      0.2192000       10.99000 0.3142000       11.36000      0.3059000     -0.3672000      0.4385000
  1 1 1       7   -6   11 o    14.51000      0.2434000       14.49000 0.3685000       14.53000      0.3180000     -0.3724000E-01  0.4868000
  1 1 1       7   -6   12 o    8.067000      0.1693000       8.002000 0.2460000       8.132000      0.2328000     -0.1297000      0.3387000
  1 1 1       7   -6   13 o    6.733000      0.1573000       6.666000 0.2386000       6.801000      0.2051000     -0.1350000      0.3146000
  1 1 1       7   -6   14 o    8.679000      0.1633000       8.725000 0.2486000       8.633000      0.2118000      0.9237000E-01  0.3266000
  1 1 1       7   -6   15 o    7.728000      0.1419000       7.624000 0.2088000       7.832000      0.1923000     -0.2079000      0.2839000
  1 1 1       7   -6   16 o    8.918000      0.1460000       8.816000 0.2083000       9.019000      0.2045000     -0.2027000      0.2919000
  1 1 1       7   -6   17 o    4.565000      0.1384000       4.581000 0.2027000       4.549000      0.1884000      0.3196000E-01  0.2767000
  1 1 1       7   -6   18 o    6.733000      0.1299000       6.569000 0.1844000       6.897000      0.1830000     -0.3281000      0.2598000
  1 1 1       7   -6   19 o    5.032000      0.2687000       5.341000 0.4189000       4.723000      0.3366000      0.6178000      0.5374000
  1 1 1       7   -6   20 o    10.77000      0.2597000       10.74000 0.3793000       10.81000      0.3547000     -0.7510000E-01  0.5193000
  1 1 1       7   -6   21 o    6.793000      0.2606000       6.823000 0.3992000       6.762000      0.3350000      0.6057000E-01  0.5212000
  1 1 1       7   -6   22 o    1.615000      0.3799000       1.566000 0.5186000       1.663000      0.5552000     -0.9733000E-01  0.7597000
  1 1 1       7   -6   23 o    8.121000      0.1713000       7.932000 0.2379000       8.310000      0.2466000     -0.3784000      0.3426000
  1 1 1       7   -6   24 f    8.552000      0.1748000       8.592000 0.2471000       8.511000      0.2474000      0.8126000E-01  0.3496000
  1 1 1       7   -6   25 o    6.498000      0.2417000       6.870000 0.2998000       6.126000      0.3793000      0.7436000      0.4835000
  1 1 1       7   -6   26 o    1.783000      0.4803000       1.549000 0.6042000       2.018000      0.7467000     -0.4688000      0.9605000
  1 1 1       7   -6   27 o    1.585000      0.4328000       1.469000 0.5790000       1.701000      0.6434000     -0.2322000      0.8656000
  1 1 1       7   -6   28 o    5.795000      0.2248000       5.915000 0.3019000       5.675000      0.3333000      0.2405000      0.4496000
  1 1 1       7   -6   29 o    7.493000      0.2147000       7.568000 0.2957000       7.418000      0.3114000      0.1501000      0.4294000
  1 1 1       7   -6   30 o    6.110000      0.2463000       5.698000 0.3449000       6.523000      0.3518000     -0.8248000      0.4926000
  1 1 1       7   -6   31 o    3.531000      0.4077000       3.771000 0.4848000       3.291000      0.6557000      0.4802000      0.8155000
  1 1 1       7   -6   32 o    6.456000      0.2536000       6.478000 0.3370000       6.435000      0.3791000      0.4241000E-01  0.5072000
  1 1 1       7   -6   33 o    5.832000      0.4514000       5.227000 0.8180000       6.437000      0.3823000      -1.210000      0.9029000
  1 1 1       7   -6   34 o    3.226000      0.4711000       3.062000 0.6985000       3.389000      0.6323000     -0.3276000      0.9422000
  1 1 1       7   -6   35 o    3.915000      0.4531000       3.685000 0.6153000       4.144000      0.6653000     -0.4590000      0.9062000
  1 1 1       7   -6   36 o    3.472000      0.4582000       3.819000 0.5827000       3.125000      0.7072000      0.6934000      0.9163000
  1 1 1       7   -5    0 o    9.933000      0.1646000       10.06000 0.2335000       9.808000      0.2320000      0.2503000      0.3292000
  1 1 1       7   -5    1 o    9.644000      0.1596000       9.662000 0.2242000       9.627000      0.2273000      0.3539000E-01  0.3193000
  1 1 1       7   -5    2 o    9.682000      0.2169000       9.831000 0.3100000       9.534000      0.3035000      0.2967000      0.4338000
  1 1 1       7   -5    3 o    14.45000      0.2888000       14.61000 0.4131000       14.28000      0.4037000      0.3320000      0.5776000
  1 1 1       7   -5    4 f    17.10000      0.2374000       16.95000 0.3328000       17.24000      0.3385000     -0.2856000      0.4747000
  1 1 1       7   -5    5 o    23.13000      0.3155000       22.95000 0.4408000       23.32000      0.4516000     -0.3683000      0.6311000
  1 1 1       7   -5    6 o    8.804000      0.1533000       8.676000 0.2036000       8.932000      0.2291000     -0.2553000      0.3065000
  1 1 1       7   -5    7 o    17.24000      0.3700000                  ?       ?   17.24000      0.3700000                  ?              ?
  1 1 1       7   -5    8 o    4.000000      0.2148000       4.167000 0.3015000       3.832000      0.3059000      0.3351000      0.4295000
  1 1 1       7   -5    9 o    18.24000      0.4181000                  ?       ?   18.24000      0.4181000                  ?              ?
  1 1 1       7   -5   10 o    8.422000      0.1913000       8.288000 0.2720000       8.555000      0.2690000     -0.2666000      0.3825000
  1 1 1       7   -5   11 o    15.23000      0.2469000       15.18000 0.3784000       15.27000      0.3172000     -0.8997000E-01  0.4938000
  1 1 1       7   -5   12 f    11.78000      0.2086000       11.76000 0.3184000       11.80000      0.2696000     -0.4511000E-01  0.4172000
  1 1 1       7   -5   13 o    11.99000      0.1919000       11.82000 0.2852000       12.17000      0.2569000     -0.3532000      0.3838000
  1 1 1       7   -5   14 o    12.26000      0.1806000       12.00000 0.2558000       12.52000      0.2550000     -0.5190000      0.3612000
  1 1 1       7   -5   15 o    7.608000      0.1343000       7.587000 0.1951000       7.629000      0.1847000     -0.4150000E-01  0.2687000
  1 1 1       7   -5   16 o    8.303000      0.1389000       8.336000 0.2014000       8.269000      0.1912000      0.6757000E-01  0.2777000
  1 1 1       7   -5   17 o    10.66000      0.1633000       10.58000 0.2332000       10.74000      0.2287000     -0.1611000      0.3266000
  1 1 1       7   -5   18 o    4.185000      0.1498000       4.047000 0.2105000       4.323000      0.2131000     -0.2765000      0.2995000
  1 1 1       7   -5   19 o    6.085000      0.1440000       6.207000 0.2064000       5.963000      0.2008000      0.2437000      0.2879000
  1 1 1       7   -5   20 o    13.16000      0.1982000       13.03000 0.2804000       13.30000      0.2802000     -0.2608000      0.3964000
  1 1 1       7   -5   21 o    3.862000      0.3041000       3.977000 0.5427000       3.747000      0.2745000      0.2295000      0.6081000
  1 1 1       7   -5   22 o    10.47000      0.2676000       10.45000 0.3921000       10.49000      0.3642000     -0.4399000E-01  0.5352000
  1 1 1       7   -5   23 o    3.710000      0.4415000       3.256000 0.7445000       4.165000      0.4749000     -0.9084000      0.8831000
  1 1 1       7   -5   24 o    4.852000      0.2023000       4.726000 0.2813000       4.979000      0.2909000     -0.2524000      0.4047000
  1 1 1       7   -5   25 o    4.420000      0.2248000       4.361000 0.3045000       4.479000      0.3308000     -0.1184000      0.4496000
  1 1 1       7   -5   26 o    8.711000      0.2496000       8.615000 0.3225000       8.806000      0.3810000     -0.1905000      0.4991000
  1 1 1       7   -5   27 o    2.322000      0.5119000       2.180000 0.6374000       2.464000      0.8012000     -0.2837000       1.024000
  1 1 1       7   -5   28 f    3.552000      0.3245000       3.337000 0.4386000       3.767000      0.4785000     -0.4298000      0.6491000
  1 1 1       7   -5   29 o    3.287000      0.3769000       3.071000 0.5359000       3.502000      0.5302000     -0.4316000      0.7539000
  1 1 1       7   -5   30 o    4.217000      0.3194000       4.192000 0.4099000       4.243000      0.4900000     -0.5122000E-01  0.6388000
  1 1 1       7   -5   31 o    4.338000      0.3257000       4.288000 0.4264000       4.388000      0.4925000     -0.1003000      0.6514000
  1 1 1       7   -5   32 o    2.022000      0.5028000       2.111000 0.6987000       1.932000      0.7232000      0.1787000       1.006000
  1 1 1       7   -5   33 o    4.528000      0.3344000       4.870000 0.4427000       4.187000      0.5012000      0.6838000      0.6687000
  1 1 1       7   -5   34 o    3.248000      0.4731000       3.723000 0.6031000       2.773000      0.7291000      0.9491000      0.9462000
  1 1 1       7   -5   35 o    3.624000      0.6130000       3.624000 0.6130000                  ?              ?              ?              ?
  1 1 1       7   -5   36 o    1.701000      0.5000000       1.904000 0.7405000       1.499000      0.6721000      0.4044000       1.000000
  1 1 1       7   -4    0 o    15.66000      0.3165000       15.32000 0.4408000       16.01000      0.4544000     -0.6892000      0.6331000
  1 1 1       7   -4    1 o    6.287000      0.1363000       6.200000 0.1894000       6.373000      0.1961000     -0.1735000      0.2726000
  1 1 1       7   -4    2 o    19.38000      0.2681000       19.40000 0.3792000       19.37000      0.3791000      0.3379000E-01  0.5362000
  1 1 1       7   -4    3 o    22.98000      0.3133000       23.09000 0.4451000       22.86000      0.4411000      0.2290000      0.6267000
  1 1 1       7   -4    4 o    18.98000      0.2604000       19.08000 0.3696000       18.88000      0.3669000      0.1921000      0.5208000
  1 1 1       7   -4    5 o    13.21000      0.1872000       13.23000 0.2643000       13.20000      0.2653000      0.2494000E-01  0.3744000
  1 1 1       7   -4    6 o    5.040000      0.1218000       5.075000 0.1630000       5.004000      0.1810000      0.7134000E-01  0.2435000
  1 1 1       7   -4    7 o    19.16000      0.3720000       19.16000 0.3720000                  ?              ?              ?              ?
  1 1 1       7   -4    8 o    3.733000      0.1968000       3.780000 0.2865000       3.686000      0.2700000      0.9406000E-01  0.3937000
  1 1 1       7   -4    9 o    11.95000      0.3070000                  ?       ?   11.95000      0.3070000                  ?              ?
  1 1 1       7   -4   10 o    16.19000      0.2371000       16.78000 0.3540000       15.60000      0.3155000       1.177000      0.4742000
  1 1 1       7   -4   11 o    12.12000      0.2385000       12.45000 0.3439000       11.79000      0.3305000      0.6515000      0.4770000
  1 1 1       7   -4   12 o    11.39000      0.2162000       11.70000 0.2987000       11.08000      0.3126000      0.6204000      0.4323000
  1 1 1       7   -4   13 o    9.658000      0.2694000       9.874000 0.4329000       9.443000      0.3209000      0.4310000      0.5389000
  1 1 1       7   -4   14 o    10.15000      0.1538000       10.19000 0.2218000       10.11000      0.2132000      0.8776000E-01  0.3076000
  1 1 1       7   -4   15 o    4.128000      0.1206000       4.065000 0.1743000       4.191000      0.1666000     -0.1258000      0.2411000
  1 1 1       7   -4   16 o    5.322000      0.1212000       5.329000 0.1695000       5.316000      0.1732000      0.1340000E-01  0.2424000
  1 1 1       7   -4   17 o    8.967000      0.1458000       8.911000 0.2072000       9.023000      0.2052000     -0.1117000      0.2916000
  1 1 1       7   -4   18 o    7.637000      0.1422000       7.745000 0.2040000       7.528000      0.1981000      0.2173000      0.2844000
  1 1 1       7   -4   19 o    3.871000      0.1779000       4.198000 0.2186000       3.543000      0.2807000      0.6555000      0.3558000
  1 1 1       7   -4   20 o    14.23000      0.2093000       14.09000 0.2944000       14.37000      0.2975000     -0.2845000      0.4186000
  1 1 1       7   -4   21 o    14.37000      0.2132000       14.34000 0.3021000       14.40000      0.3008000     -0.5466000E-01  0.4263000
  1 1 1       7   -4   22 o    10.85000      0.1814000       11.08000 0.2588000       10.62000      0.2543000      0.4545000      0.3628000
  1 1 1       7   -4   23 o    2.862000      0.4672000       2.679000 0.7314000       3.044000      0.5816000     -0.3654000      0.9344000
  1 1 1       7   -4   24 o    4.902000      0.3486000       4.475000 0.5603000       5.328000      0.4150000     -0.8529000      0.6972000
  1 1 1       7   -4   25 o    3.026000      0.3183000       3.374000 0.3832000       2.679000      0.5083000      0.6950000      0.6365000
  1 1 1       7   -4   26 o    3.704000      0.2784000       3.510000 0.3896000       3.899000      0.3979000     -0.3890000      0.5568000
  1 1 1       7   -4   27 o    5.315000      0.3088000       5.690000 0.3420000       4.941000      0.5143000      0.7485000      0.6176000
  1 1 1       7   -4   28 o    3.352000      0.4591000       3.359000 0.5281000       3.344000      0.7512000      0.1521000E-01  0.9182000
  1 1 1       7   -4   29 o    5.574000      0.2476000       5.716000 0.3239000       5.432000      0.3747000      0.2834000      0.4953000
  1 1 1       7   -4   30 o    3.803000      0.3484000       3.376000 0.5186000       4.230000      0.4654000     -0.8549000      0.6968000
  1 1 1       7   -4   31 o    2.798000      0.4821000       3.047000 0.6241000       2.549000      0.7351000      0.4979000      0.9643000
  1 1 1       7   -4   32 o    3.619000      0.4166000       3.246000 0.6400000       3.991000      0.5336000     -0.7451000      0.8333000
  1 1 1       7   -4   33 o    3.979000      0.3678000       4.075000 0.4992000       3.883000      0.5404000      0.1919000      0.7357000
  1 1 1       7   -4   34 o    6.357000      0.2645000       5.919000 0.3870000       6.796000      0.3606000     -0.8775000      0.5290000
  1 1 1       7   -4   35 o    2.533000      0.5287000       2.585000 0.7506000       2.480000      0.7447000      0.1053000       1.057000
  1 1 1       7   -4   36 o    3.922000      0.4028000       3.769000 0.5906000       4.075000      0.5479000     -0.3058000      0.8056000
  1 1 1       7   -3    0 o    20.56000      0.2852000       20.45000 0.4014000       20.67000      0.4052000     -0.2165000      0.5704000
  1 1 1       7   -3    1 f    8.046000      0.1438000       7.976000 0.2018000       8.116000      0.2049000     -0.1392000      0.2876000
  1 1 1       7   -3    2 o    22.59000      0.3095000       22.49000 0.4359000       22.69000      0.4396000     -0.1980000      0.6191000
  1 1 1       7   -3    3 o    1.495000      0.2665000       1.165000 0.4030000       1.824000      0.3490000     -0.6594000      0.5331000
  1 1 1       7   -3    4 o    3.002000      0.1474000       2.794000 0.2174000       3.209000      0.1990000     -0.4151000      0.2947000
  1 1 1       7   -3    5 o    4.368000      0.1127000       4.321000 0.1554000       4.414000      0.1632000     -0.9216000E-01  0.2254000
  1 1 1       7   -3    6 o    7.244000      0.1712000       7.003000 0.2340000       7.486000      0.2500000     -0.4833000      0.3424000
  1 1 1       7   -3    7 o    13.66000      0.2398000       14.29000 0.3961000       13.03000      0.2703000       1.258000      0.4795000
  1 1 1       7   -3    8 o    20.62000      0.2933000       20.67000 0.4019000       20.57000      0.4273000      0.9975000E-01  0.5866000
  1 1 1       7   -3    9 o    8.370000      0.1612000       8.236000 0.2091000       8.504000      0.2455000     -0.2685000      0.3225000
  1 1 1       7   -3   10 o    16.84000      0.2365000       16.92000 0.3409000       16.77000      0.3278000      0.1587000      0.4729000
  1 1 1       7   -3   11 o    9.090000      0.1660000       9.178000 0.2507000       9.001000      0.2176000      0.1762000      0.3320000
  1 1 1       7   -3   12 o    2.846000      0.1737000       2.665000 0.2802000       3.028000      0.2054000     -0.3637000      0.3474000
  1 1 1       7   -3   13 o    11.40000      0.1651000       11.18000 0.2331000       11.63000      0.2340000     -0.4454000      0.3303000
  1 1 1       7   -3   14 o    8.686000      0.1591000       9.077000 0.2630000       8.295000      0.1792000      0.7820000      0.3183000
  1 1 1       7   -3   15 o    6.894000      0.1218000       6.752000 0.1748000       7.035000      0.1695000     -0.2831000      0.2435000
  1 1 1       7   -3   16 o    5.254000      0.1224000       5.211000 0.1706000       5.297000      0.1757000     -0.8518000E-01  0.2449000
  1 1 1       7   -3   17 o    11.54000      0.1721000       11.34000 0.2409000       11.74000      0.2458000     -0.3963000      0.3442000
  1 1 1       7   -3   18 o    9.469000      0.1547000       9.385000 0.2184000       9.553000      0.2191000     -0.1678000      0.3093000
  1 1 1       7   -3   19 o    1.809000      0.3202000       1.711000 0.4488000       1.907000      0.4568000     -0.1953000      0.6404000
  1 1 1       7   -3   20 o    7.407000      0.1522000       7.267000 0.2141000       7.547000      0.2166000     -0.2795000      0.3045000
  1 1 1       7   -3   21 o    9.609000      0.1674000       9.350000 0.2343000       9.868000      0.2392000     -0.5183000      0.3348000
  1 1 1       7   -3   22 o    8.819000      0.1679000       8.730000 0.2367000       8.908000      0.2383000     -0.1776000      0.3359000
  1 1 1       7   -3   23 o    7.745000      0.1698000       7.619000 0.2369000       7.870000      0.2432000     -0.2516000      0.3396000
  1 1 1       7   -3   24 o    4.605000      0.3340000       4.511000 0.4969000       4.698000      0.4465000     -0.1865000      0.6680000
  1 1 1       7   -3   25 o    7.260000      0.2736000       7.222000 0.4224000       7.299000      0.3480000     -0.7763000E-01  0.5473000
  1 1 1       7   -3   26 o    8.825000      0.1875000       8.690000 0.2649000       8.960000      0.2653000     -0.2700000      0.3749000
  1 1 1       7   -3   27 o    4.311000      0.2633000       4.334000 0.3544000       4.289000      0.3896000      0.4514000E-01  0.5267000
  1 1 1       7   -3   28 o    5.548000      0.3287000       6.039000 0.3634000       5.057000      0.5478000      0.9822000      0.6574000
  1 1 1       7   -3   29 o    1.582000      0.4940000       1.241000 0.5814000       1.922000      0.7988000     -0.6809000      0.9880000
  1 1 1       7   -3   30 o    3.947000      0.3562000       4.682000 0.3942000       3.211000      0.5934000       1.471000      0.7124000
  1 1 1       7   -3   31 o    10.05000      0.2168000       10.14000 0.3024000       9.961000      0.3108000      0.1804000      0.4336000
  1 1 1       7   -3   32 o    3.502000      0.4151000       3.954000 0.4988000       3.051000      0.6636000      0.9038000      0.8302000
  1 1 1       7   -3   33 o    7.252000      0.2430000       7.419000 0.3321000       7.086000      0.3548000      0.3322000      0.4860000
  1 1 1       7   -3   34 o    2.431000      0.5341000       2.510000 0.7274000       2.353000      0.7823000      0.1563000       1.068000
  1 1 1       7   -3   35 o    2.525000      0.5265000       2.717000 0.7270000       2.333000      0.7618000      0.3844000       1.053000
  1 1 1       7   -3   36 o    5.491000      0.2933000       5.553000 0.4031000       5.429000      0.4261000      0.1238000      0.5865000
  1 1 1       7   -2    0 o    5.860000      0.1364000       5.998000 0.1932000       5.722000      0.1925000      0.2764000      0.2728000
  1 1 1       7   -2    1 o    19.68000      0.2724000       19.57000 0.3827000       19.80000      0.3877000     -0.2297000      0.5448000
  1 1 1       7   -2    2 o    14.90000      0.2119000       14.80000 0.2973000       15.01000      0.3019000     -0.2031000      0.4237000
  1 1 1       7   -2    3 o    15.85000      0.2216000       15.93000 0.3147000       15.77000      0.3121000      0.1595000      0.4432000
  1 1 1       7   -2    4 o    23.02000      0.3126000       22.85000 0.4391000       23.19000      0.4450000     -0.3460000      0.6252000
  1 1 1       7   -2    5 o    35.14000      0.4713000       35.05000 0.6642000       35.24000      0.6689000     -0.1962000      0.9426000
  1 1 1       7   -2    6 o    23.96000      0.3232000       23.92000 0.4558000       24.00000      0.4583000     -0.7977000E-01  0.6463000
  1 1 1       7   -2    7 o    13.89000      0.1927000       13.80000 0.2696000       13.97000      0.2754000     -0.1702000      0.3853000
  1 1 1       7   -2    8 o    11.61000      0.1828000       11.49000 0.2362000       11.74000      0.2792000     -0.2482000      0.3657000
  1 1 1       7   -2    9 f    13.64000      0.2300000       14.30000 0.2874000       12.98000      0.3591000       1.312000      0.4600000
  1 1 1       7   -2   10 o    6.069000      0.1284000       6.239000 0.2000000       5.898000      0.1610000      0.3412000      0.2568000
  1 1 1       7   -2   11 o    14.68000      0.2236000       14.87000 0.3391000       14.48000      0.2917000      0.3891000      0.4473000
  1 1 1       7   -2   12 o    6.684000      0.1292000       6.729000 0.1988000       6.638000      0.1650000      0.9193000E-01  0.2583000
  1 1 1       7   -2   13 o    8.498000      0.1577000       8.746000 0.1872000       8.250000      0.2538000      0.4969000      0.3153000
  1 1 1       7   -2   14 o    9.220000      0.1627000       9.296000 0.2629000       9.144000      0.1918000      0.1513000      0.3254000
  1 1 1       7   -2   15 o    3.917000      0.1214000       3.899000 0.1687000       3.934000      0.1746000     -0.3489000E-01  0.2428000
  1 1 1       7   -2   16 o    5.036000      0.1223000       4.766000 0.1686000       5.306000      0.1773000     -0.5401000      0.2447000
  1 1 1       7   -2   17 o    8.856000      0.1695000       8.907000 0.2702000       8.806000      0.2048000      0.1015000      0.3390000
  1 1 1       7   -2   18 o    8.667000      0.1485000       8.429000 0.2068000       8.906000      0.2133000     -0.4765000      0.2970000
  1 1 1       7   -2   19 o    5.188000      0.1525000       5.003000 0.2113000       5.372000      0.2199000     -0.3690000      0.3050000
  1 1 1       7   -2   20 o    1.682000      0.3489000       1.953000 0.4719000       1.411000      0.5142000      0.5412000      0.6979000
  1 1 1       7   -2   21 o    9.218000      0.1635000       9.115000 0.2302000       9.321000      0.2321000     -0.2060000      0.3269000
  1 1 1       7   -2   22 o    6.046000      0.1720000       5.776000 0.2427000       6.316000      0.2437000     -0.5396000      0.3440000
  1 1 1       7   -2   23 o    3.759000      0.2280000       3.534000 0.3195000       3.984000      0.3253000     -0.4497000      0.4560000
  1 1 1       7   -2   24 o    9.003000      0.1808000       8.781000 0.2517000       9.225000      0.2595000     -0.4444000      0.3616000
  1 1 1       7   -2   25 o    2.549000      0.5034000       2.350000 0.7722000       2.749000      0.6460000     -0.3985000       1.007000
  1 1 1       7   -2   26 o    3.648000      0.4258000       3.335000 0.6932000       3.962000      0.4948000     -0.6265000      0.8517000
  1 1 1       7   -2   27 o    11.29000      0.2018000       11.43000 0.2871000       11.16000      0.2836000      0.2628000      0.4036000
  1 1 1       7   -2   28 o    6.052000      0.2977000       5.717000 0.3793000       6.386000      0.4590000     -0.6687000      0.5954000
  1 1 1       7   -2   29 o    9.182000      0.2896000       9.392000 0.3796000       8.973000      0.4375000      0.4191000      0.5792000
  1 1 1       7   -2   30 o    7.583000      0.2167000       7.477000 0.3019000       7.688000      0.3110000     -0.2113000      0.4335000
  1 1 1       7   -2   31 o    7.042000      0.2334000       6.860000 0.3311000       7.224000      0.3291000     -0.3644000      0.4669000
  1 1 1       7   -2   32 o    7.196000      0.2403000       7.342000 0.3324000       7.049000      0.3471000      0.2932000      0.4806000
  1 1 1       7   -2   33 o    5.832000      0.2725000       5.762000 0.3798000       5.901000      0.3907000     -0.1389000      0.5449000
  1 1 1       7   -2   34 o    1.206000      0.4052000       1.261000 0.5917000       1.150000      0.5537000      0.1108000      0.8103000
  1 1 1       7   -2   35 o    3.019000      0.4792000       2.825000 0.7192000       3.212000      0.6336000     -0.3868000      0.9585000
  1 1 1       7   -2   36 f    6.079000      0.2801000       6.188000 0.3882000       5.970000      0.4038000      0.2179000      0.5602000
  1 1 1       7   -2   37 o    2.971000      0.4709000       3.511000 0.5976000       2.431000      0.7279000       1.080000      0.9418000
  1 1 1       7   -1    0 o    2.777000      0.2061000       2.898000 0.3406000       2.656000      0.2323000      0.2428000      0.4123000
  1 1 1       7   -1    1 o    10.16000      0.1930000       10.33000 0.3185000       9.995000      0.2179000      0.3348000      0.3859000
  1 1 1       7   -1    2 o    10.44000      0.1590000       10.48000 0.2251000       10.40000      0.2245000      0.8280000E-01  0.3179000
  1 1 1       7   -1    3 o    24.83000      0.3366000       24.82000 0.4758000       24.83000      0.4761000     -0.1106000E-01  0.6731000
  1 1 1       7   -1    4 f    14.97000      0.2089000       14.86000 0.2934000       15.07000      0.2974000     -0.2093000      0.4178000
  1 1 1       7   -1    5 o    14.07000      0.1962000       14.10000 0.2775000       14.04000      0.2774000      0.6030000E-01  0.3924000
  1 1 1       7   -1    6 o    2.632000      0.1199000       2.557000 0.1697000       2.706000      0.1694000     -0.1490000      0.2398000
  1 1 1       7   -1    7 o    6.059000      0.1008000       6.157000 0.1417000       5.962000      0.1435000      0.1953000      0.2017000
  1 1 1       7   -1    8 o    22.46000      0.3038000       22.87000 0.4355000       22.05000      0.4238000      0.8292000      0.6077000
  1 1 1       7   -1    9 o    22.72000      0.4342000       22.72000 0.6180000       22.71000      0.6100000      0.1520000E-01  0.8683000
  1 1 1       7   -1   10 o    9.895000      0.1962000                  ?       ?   9.895000      0.1962000                  ?              ?
  1 1 1       7   -1   11 f    7.956000      0.1656000       8.218000 0.2416000       7.694000      0.2266000      0.5243000      0.3312000
  1 1 1       7   -1   12 o    5.633000      0.1461000       5.389000 0.2104000       5.876000      0.2028000     -0.4867000      0.2923000
  1 1 1       7   -1   13 o    9.481000      0.1703000       9.155000 0.2765000       9.807000      0.1988000     -0.6516000      0.3405000
  1 1 1       7   -1   14 o    8.874000      0.1336000       8.829000 0.1884000       8.919000      0.1894000     -0.8998000E-01  0.2672000
  1 1 1       7   -1   15 o    8.308000      0.1559000       8.475000 0.2521000       8.141000      0.1835000      0.3344000      0.3118000
  1 1 1       7   -1   16 o    4.083000      0.1349000       4.052000 0.1825000       4.114000      0.1987000     -0.6243000E-01  0.2698000
  1 1 1       7   -1   17 o    7.376000      0.1342000       7.268000 0.1874000       7.483000      0.1920000     -0.2149000      0.2683000
  1 1 1       7   -1   18 f    6.703000      0.1362000       6.607000 0.1884000       6.798000      0.1968000     -0.1916000      0.2724000
  1 1 1       7   -1   19 o    3.543000      0.1909000       3.808000 0.2404000       3.278000      0.2965000      0.5302000      0.3817000
  1 1 1       7   -1   20 o    2.136000      0.3135000       2.293000 0.4044000       1.978000      0.4793000      0.3151000      0.6271000
  1 1 1       7   -1   21 o    6.789000      0.1565000       6.807000 0.2209000       6.771000      0.2217000      0.3636000E-01  0.3129000
  1 1 1       7   -1   22 o    10.15000      0.1747000       10.07000 0.2458000       10.23000      0.2484000     -0.1526000      0.3495000
  1 1 1       7   -1   23 f    10.80000      0.1838000       10.74000 0.2582000       10.87000      0.2618000     -0.1234000      0.3677000
  1 1 1       7   -1   24 o    17.45000      0.2532000       17.41000 0.3566000       17.49000      0.3596000     -0.8690000E-01  0.5064000
  1 1 1       7   -1   25 o    13.55000      0.3010000       13.69000 0.4356000       13.41000      0.4156000      0.2835000      0.6020000
  1 1 1       7   -1   26 o    15.68000      0.3353000       15.78000 0.4836000       15.58000      0.4647000      0.2004000      0.6707000
  1 1 1       7   -1   27 o    12.28000      0.2086000       12.09000 0.2903000       12.47000      0.2996000     -0.3770000      0.4172000
  1 1 1       7   -1   28 o    6.835000      0.2044000       6.740000 0.2840000       6.929000      0.2939000     -0.1888000      0.4087000
  1 1 1       7   -1   29 o    4.049000      0.4579000       3.901000 0.5356000       4.197000      0.7428000     -0.2963000      0.9158000
  1 1 1       7   -1   30 o    3.646000      0.3471000       3.578000 0.4823000       3.714000      0.4993000     -0.1359000      0.6942000
  1 1 1       7   -1   31 o    3.357000      0.4228000       3.968000 0.4763000       2.746000      0.6988000       1.222000      0.8456000
  1 1 1       7   -1   32 o    9.468000      0.2184000       9.427000 0.3047000       9.509000      0.3129000     -0.8190000E-01  0.4367000
  1 1 1       7   -1   33 o    4.750000      0.3025000       4.993000 0.4082000       4.507000      0.4467000      0.4856000      0.6051000
  1 1 1       7   -1   34 o    2.546000      0.4899000       3.029000 0.6450000       2.062000      0.7375000      0.9678000      0.9798000
  1 1 1       7   -1   35 o    2.883000      0.4669000       3.380000 0.5917000       2.386000      0.7224000      0.9938000      0.9338000
  1 1 1       7   -1   36 o    5.339000      0.4245000       5.339000 0.4245000                  ?              ?              ?              ?
  1 1 1       7   -1   37 o    4.945000      0.3082000       4.990000 0.4181000       4.900000      0.4528000      0.8985000E-01  0.6163000
  1 1 1       7    0    0 o    13.99000      0.2002000       14.03000 0.2840000       13.95000      0.2823000      0.8035000E-01  0.4004000
  1 1 1       7    0    1 o    3.545000      0.1254000       3.531000 0.1754000       3.559000      0.1792000     -0.2770000E-01  0.2507000
  1 1 1       7    0    2 o    2.908000      0.1312000       2.918000 0.1867000       2.898000      0.1844000      0.2014000E-01  0.2624000
  1 1 1       7    0    3 o    28.12000      0.3793000       28.05000 0.5358000       28.19000      0.5371000     -0.1394000      0.7586000
  1 1 1       7    0    4 o    17.01000      0.2341000       17.07000 0.3327000       16.95000      0.3293000      0.1106000      0.4681000
  1 1 1       7    0    5 o    14.62000      0.2022000       14.26000 0.2795000       14.97000      0.2922000     -0.7103000      0.4044000
  1 1 1       7    0    6 o    15.82000      0.2168000       15.52000 0.3012000       16.12000      0.3120000     -0.6007000      0.4337000
  1 1 1       7    0    7 o    31.52000      0.5194000       31.99000 0.8561000       31.04000      0.5885000      0.9452000       1.039000
  1 1 1       7    0    8 o    9.425000      0.2616000       9.425000 0.2616000                  ?              ?              ?              ?
  1 1 1       7    0    9 o    13.39000      0.2609000       13.82000 0.3842000       12.96000      0.3530000      0.8655000      0.5217000
  1 1 1       7    0   10 o    13.42000      0.2566000                  ?       ?   13.42000      0.2566000                  ?              ?
  1 1 1       7    0   11 o    18.12000      0.2990000       17.79000 0.4813000       18.45000      0.3549000     -0.6626000      0.5979000
  1 1 1       7    0   12 o    15.28000      0.2949000       14.69000 0.4020000       15.86000      0.4317000      -1.168000      0.5899000
  1 1 1       7    0   13 o    5.464000      0.1377000                  ?       ?   5.464000      0.1377000                  ?              ?
  1 1 1       7    0   14 o    6.093000      0.1558000                  ?       ?   6.093000      0.1558000                  ?              ?
  1 1 1       7    0   15 f    11.88000      0.2086000       12.30000 0.3464000       11.45000      0.2324000      0.8477000      0.4171000
  1 1 1       7    0   16 o    1.082000      0.2895000       1.059000 0.3978000       1.105000      0.4209000     -0.4574000E-01  0.5791000
  1 1 1       7    0   17 o    11.81000      0.1737000       11.68000 0.2424000       11.93000      0.2490000     -0.2452000      0.3475000
  1 1 1       7    0   18 f    7.113000      0.1372000       6.983000 0.1908000       7.242000      0.1972000     -0.2590000      0.2744000
  1 1 1       7    0   19 o    8.763000      0.1514000       8.685000 0.2118000       8.841000      0.2164000     -0.1562000      0.3028000
  1 1 1       7    0   20 o    7.484000      0.1497000       7.584000 0.2117000       7.385000      0.2117000      0.1985000      0.2994000
  1 1 1       7    0   21 o    3.397000      0.2167000       3.285000 0.3114000       3.509000      0.3013000     -0.2248000      0.4333000
  1 1 1       7    0   22 o    11.82000      0.1881000       11.96000 0.2667000       11.67000      0.2653000      0.2928000      0.3762000
  1 1 1       7    0   23 o    4.348000      0.2072000       4.324000 0.3010000       4.372000      0.2849000     -0.4836000E-01  0.4145000
  1 1 1       7    0   24 o    14.67000      0.2219000       14.49000 0.3097000       14.85000      0.3179000     -0.3576000      0.4438000
  1 1 1       7    0   25 o    8.597000      0.2480000       8.663000 0.3603000       8.531000      0.3407000      0.1312000      0.4959000
  1 1 1       7    0   26 o    19.58000      0.3974000       19.86000 0.5726000       19.31000      0.5514000      0.5534000      0.7949000
  1 1 1       7    0   27 o    4.767000      0.2348000       4.715000 0.3332000       4.819000      0.3309000     -0.1034000      0.4695000
  1 1 1       7    0   28 o    4.641000      0.2509000       4.716000 0.3352000       4.565000      0.3734000      0.1515000      0.5017000
  1 1 1       7    0   29 o    2.734000      0.5742000       2.354000 0.7672000       3.114000      0.8546000     -0.7604000       1.148000
  1 1 1       7    0   30 o    4.969000      0.2683000       4.471000 0.4056000       5.468000      0.3512000     -0.9975000      0.5365000
  1 1 1       7    0   31 o    5.853000      0.2509000       5.823000 0.3461000       5.882000      0.3633000     -0.5934000E-01  0.5018000
  1 1 1       7    0   32 o    5.334000      0.2824000       5.898000 0.3619000       4.770000      0.4336000       1.128000      0.5648000
  1 1 1       7    0   33 o    3.179000      0.4386000       3.097000 0.6412000       3.261000      0.5985000     -0.1635000      0.8772000
  1 1 1       7    0   34 o    5.182000      0.2998000       5.185000 0.4296000       5.178000      0.4183000      0.6892000E-02  0.5996000
  1 1 1       7    0   35 o    2.025000      0.5088000       1.887000 0.7277000       2.163000      0.7113000     -0.2758000       1.018000
  1 1 1       7    0   36 o    5.476000      0.3528000       6.103000 0.3870000       4.849000      0.5901000       1.254000      0.7057000
  1 1 1       7    0   37 o    3.513000      0.4181000       3.938000 0.5235000       3.089000      0.6522000      0.8489000      0.8363000
  1 1 1       7    1    0 f    22.43000      0.3066000       22.62000 0.4373000       22.24000      0.4299000      0.3787000      0.6132000
  1 1 1       7    1    1 o    20.27000      0.2776000       20.31000 0.3935000       20.22000      0.3918000      0.8735000E-01  0.5552000
  1 1 1       7    1    2 o    12.91000      0.1837000       12.87000 0.2591000       12.94000      0.2603000     -0.6768000E-01  0.3673000
  1 1 1       7    1    3 o    3.559000      0.1126000       3.712000 0.1549000       3.406000      0.1635000      0.3069000      0.2252000
  1 1 1       7    1    4 o    18.24000      0.2491000       18.21000 0.3522000       18.27000      0.3525000     -0.6099000E-01  0.4983000
  1 1 1       7    1    5 o    25.61000      0.3448000       25.60000 0.4882000       25.61000      0.4871000     -0.1346000E-01  0.6897000
  1 1 1       7    1    6 o    23.09000      0.3829000       23.49000 0.6320000       22.70000      0.4325000      0.7824000      0.7658000
  1 1 1       7    1    7 o    22.31000      0.4245000       22.78000 0.6130000       21.84000      0.5875000      0.9427000      0.8491000
  1 1 1       7    1   13 o    5.101000      0.1321000       5.201000 0.1821000       5.002000      0.1916000      0.1983000      0.2643000
  1 1 1       7    1   14 o    13.05000      0.2214000       12.87000 0.3586000       13.23000      0.2599000     -0.3661000      0.4429000
  1 1 1       7    1   15 o    16.26000      0.2743000       16.32000 0.4491000       16.20000      0.3150000      0.1282000      0.5486000
  1 1 1       7    1   16 o    5.119000      0.1181000       5.155000 0.1648000       5.083000      0.1691000      0.7158000E-01  0.2361000
  1 1 1       7    1   17 o    5.589000      0.1489000       5.587000 0.1719000       5.590000      0.2431000     -0.2958000E-02  0.2978000
  1 1 1       7    1   18 o    7.942000      0.1395000       7.989000 0.1957000       7.895000      0.1989000      0.9402000E-01  0.2790000
  1 1 1       7    1   19 o    10.34000      0.1635000       10.45000 0.2321000       10.24000      0.2303000      0.2101000      0.3270000
  1 1 1       7    1   20 o    4.694000      0.2106000       4.280000 0.2350000       5.109000      0.3497000     -0.8284000      0.4213000
  1 1 1       7    1   21 o    5.993000      0.1567000       6.096000 0.2170000       5.890000      0.2262000      0.2058000      0.3135000
  1 1 1       7    1   22 o    8.663000      0.1619000       8.667000 0.2290000       8.660000      0.2288000      0.6777000E-02  0.3237000
  1 1 1       7    1   23 o    7.989000      0.1662000       8.168000 0.2377000       7.811000      0.2322000      0.3572000      0.3323000
  1 1 1       7    1   24 o    13.19000      0.2058000       13.25000 0.2906000       13.13000      0.2914000      0.1211000      0.4115000
  1 1 1       7    1   25 o    11.58000      0.2691000       11.55000 0.3856000       11.60000      0.3754000     -0.4785000E-01  0.5381000
  1 1 1       7    1   26 o    17.83000      0.3661000       17.41000 0.5114000       18.25000      0.5239000     -0.8381000      0.7321000
  1 1 1       7    1   27 o    9.159000      0.1877000       9.265000 0.2653000       9.052000      0.2657000      0.2136000      0.3755000
  1 1 1       7    1   28 o    9.178000      0.2836000       8.718000 0.3747000       9.637000      0.4259000     -0.9185000      0.5673000
  1 1 1       7    1   29 o    3.483000      0.5131000       3.016000 0.7170000       3.949000      0.7341000     -0.9327000       1.026000
  1 1 1       7    1   30 o    11.59000      0.2131000       11.39000 0.2985000       11.79000      0.3042000     -0.4057000      0.4262000
  1 1 1       7    1   31 o    3.040000      0.4101000       3.543000 0.5074000       2.538000      0.6444000       1.005000      0.8202000
  1 1 1       7    1   32 o    5.564000      0.2728000       5.633000 0.3824000       5.496000      0.3891000      0.1371000      0.5456000
  1 1 1       7    1   33 o    5.139000      0.2887000       4.912000 0.4307000       5.365000      0.3845000     -0.4530000      0.5773000
  1 1 1       7    1   34 o    2.041000      0.5021000       2.326000 0.7170000       1.756000      0.7030000      0.5700000       1.004000
  1 1 1       7    1   35 o    1.961000      0.4909000       2.465000 0.7477000       1.457000      0.6364000       1.008000      0.9819000
  1 1 1       7    1   36 o    3.135000      0.4665000       3.361000 0.6581000       2.908000      0.6615000      0.4532000      0.9331000
  1 1 1       7    1   37 o    2.557000      0.5045000       2.945000 0.6884000       2.170000      0.7377000      0.7752000       1.009000
  1 1 1       7    2    0 o    11.96000      0.1753000       11.88000 0.2467000       12.03000      0.2493000     -0.1529000      0.3507000
  1 1 1       7    2    1 o    6.820000      0.1232000       6.866000 0.1758000       6.775000      0.1727000      0.9095000E-01  0.2464000
  1 1 1       7    2    2 o    5.864000      0.1137000       5.736000 0.1591000       5.992000      0.1624000     -0.2563000      0.2274000
  1 1 1       7    2    3 o    7.265000      0.1200000       7.129000 0.1681000       7.400000      0.1714000     -0.2706000      0.2401000
  1 1 1       7    2    4 o    6.016000      0.1297000       5.840000 0.2097000       6.192000      0.1529000     -0.3524000      0.2595000
  1 1 1       7    2    5 o    17.38000      0.2370000       17.57000 0.3393000       17.18000      0.3309000      0.3876000      0.4739000
  1 1 1       7    2    6 o    11.61000      0.1987000       11.76000 0.3272000       11.45000      0.2256000      0.3166000      0.3975000
  1 1 1       7    2    7 o    18.80000      0.3124000       19.04000 0.5137000       18.56000      0.3557000      0.4818000      0.6248000
  1 1 1       7    2   12 o    11.46000      0.2211000       10.95000 0.2989000       11.97000      0.3258000      -1.025000      0.4422000
  1 1 1       7    2   13 o    1.431000      0.2112000       1.433000 0.3053000       1.428000      0.2919000      0.4821000E-02  0.4224000
  1 1 1       7    2   14 o    9.842000      0.2046000                  ?       ?   9.842000      0.2046000                  ?              ?
  1 1 1       7    2   15 o    15.95000      0.2199000       15.86000 0.3087000       16.03000      0.3133000     -0.1649000      0.4398000
  1 1 1       7    2   16 o    11.72000      0.1708000       12.22000 0.2477000       11.22000      0.2353000       1.005000      0.3416000
  1 1 1       7    2   17 o    8.496000      0.1761000       8.195000 0.1912000       8.798000      0.2958000     -0.6029000      0.3523000
  1 1 1       7    2   18 o    5.929000      0.1370000       6.051000 0.1809000       5.806000      0.2058000      0.2452000      0.2740000
  1 1 1       7    2   19 f    9.228000      0.1944000       8.850000 0.2113000       9.607000      0.3263000     -0.7570000      0.3887000
  1 1 1       7    2   20 o    6.003000      0.1425000       6.025000 0.2041000       5.982000      0.1990000      0.4278000E-01  0.2851000
  1 1 1       7    2   21 o    6.467000      0.1502000       6.510000 0.2101000       6.424000      0.2147000      0.8590000E-01  0.3004000
  1 1 1       7    2   22 o    7.379000      0.1577000       7.362000 0.2218000       7.396000      0.2242000     -0.3390000E-01  0.3154000
  1 1 1       7    2   23 o    5.445000      0.1768000       5.528000 0.2530000       5.362000      0.2471000      0.1663000      0.3537000
  1 1 1       7    2   24 o    2.828000      0.2990000       2.812000 0.4375000       2.844000      0.4076000     -0.3225000E-01  0.5980000
  1 1 1       7    2   25 o    7.238000      0.2361000       7.071000 0.3474000       7.406000      0.3200000     -0.3349000      0.4723000
  1 1 1       7    2   26 o    6.938000      0.1864000       6.988000 0.2659000       6.888000      0.2613000      0.1006000      0.3728000
  1 1 1       7    2   27 o    17.02000      0.2527000       16.96000 0.3559000       17.08000      0.3590000     -0.1238000      0.5055000
  1 1 1       7    2   28 o    1.783000      0.5217000       1.477000 0.6567000       2.089000      0.8108000     -0.6121000       1.043000
  1 1 1       7    2   29 o    4.293000      0.4407000       4.587000 0.5206000       3.998000      0.7113000      0.5883000      0.8815000
  1 1 1       7    2   30 o    2.140000      0.4639000       2.062000 0.6809000       2.218000      0.6301000     -0.1557000      0.9278000
  1 1 1       7    2   31 o    6.148000      0.2343000       6.287000 0.3351000       6.009000      0.3275000      0.2780000      0.4686000
  1 1 1       7    2   32 o    8.921000      0.2189000       8.807000 0.3087000       9.036000      0.3103000     -0.2293000      0.4377000
  1 1 1       7    2   33 o    3.720000      0.3903000       3.095000 0.6429000       4.346000      0.4428000      -1.252000      0.7807000
  1 1 1       7    2   34 o    4.199000      0.3468000       3.714000 0.5467000       4.685000      0.4267000     -0.9704000      0.6935000
  1 1 1       7    2   35 f    4.029000      0.3519000       4.045000 0.5066000       4.013000      0.4886000      0.3265000E-01  0.7038000
  1 1 1       7    2   36 o    2.279000      0.4840000       1.753000 0.7107000       2.805000      0.6572000      -1.052000      0.9679000
  1 1 1       7    2   37 o    2.896000      0.4923000       3.008000 0.6866000       2.784000      0.7056000      0.2239000      0.9845000
  1 1 1       7    3    0 o    1.428000      0.2638000       1.106000 0.4004000       1.751000      0.3436000     -0.6443000      0.5276000
  1 1 1       7    3    1 o    13.82000      0.1963000       13.84000 0.2780000       13.80000      0.2772000      0.4196000E-01  0.3926000
  1 1 1       7    3    2 o    17.81000      0.2451000       17.85000 0.3475000       17.76000      0.3457000      0.8458000E-01  0.4901000
  1 1 1       7    3    3 o    14.46000      0.2019000       14.12000 0.2792000       14.81000      0.2917000     -0.6959000      0.4038000
  1 1 1       7    3    4 o    16.51000      0.2265000       16.57000 0.3214000       16.45000      0.3191000      0.1179000      0.4529000
  1 1 1       7    3    5 o    29.41000      0.3948000       29.89000 0.5674000       28.93000      0.5490000      0.9601000      0.7896000
  1 1 1       7    3    6 o    28.97000      0.4751000       28.81000 0.7732000       29.13000      0.5523000     -0.3250000      0.9502000
  1 1 1       7    3    7 o    4.512000      0.1210000       4.336000 0.1774000       4.688000      0.1646000     -0.3518000      0.2420000
  1 1 1       7    3    8 o    33.06000      0.5400000       32.62000 0.8736000       33.50000      0.6351000     -0.8810000       1.080000
  1 1 1       7    3    9 o    28.20000      0.4583000       27.08000 0.7257000       29.32000      0.5598000      -2.235000      0.9165000
  1 1 1       7    3   10 o    8.167000      0.1415000       8.507000 0.2372000       7.827000      0.1542000      0.6800000      0.2829000
  1 1 1       7    3   11 o    8.500000      0.2803000       8.286000 0.4800000       8.713000      0.2896000     -0.4269000      0.5606000
  1 1 1       7    3   12 o    20.03000      0.3345000       20.67000 0.5573000       19.39000      0.3700000       1.281000      0.6690000
  1 1 1       7    3   13 o    8.660000      0.1749000       8.407000 0.2405000       8.913000      0.2540000     -0.5060000      0.3498000
  1 1 1       7    3   14 o    5.980000      0.1065000       6.192000 0.1492000       5.767000      0.1521000      0.4250000      0.2131000
  1 1 1       7    3   15 o    7.633000      0.1506000       7.503000 0.1722000       7.763000      0.2472000     -0.2600000      0.3012000
  1 1 1       7    3   16 o    2.300000      0.2054000       2.627000 0.2289000       1.973000      0.3410000      0.6540000      0.4107000
  1 1 1       7    3   17 o    7.520000      0.1343000       7.418000 0.1838000       7.623000      0.1959000     -0.2053000      0.2686000
  1 1 1       7    3   18 o    12.30000      0.1825000       12.23000 0.2539000       12.36000      0.2621000     -0.1295000      0.3649000
  1 1 1       7    3   19 o    5.843000      0.1460000       6.055000 0.1886000       5.632000      0.2228000      0.4226000      0.2919000
  1 1 1       7    3   20 o    5.571000      0.1553000       5.685000 0.2027000       5.456000      0.2354000      0.2286000      0.3106000
  1 1 1       7    3   21 o    6.720000      0.1590000       6.507000 0.2135000       6.934000      0.2356000     -0.4265000      0.3179000
  1 1 1       7    3   22 o    9.479000      0.2351000       9.479000 0.2351000                  ?              ?              ?              ?
  1 1 1       7    3   23 o    3.764000      0.2541000       4.350000 0.2747000       3.177000      0.4277000       1.174000      0.5083000
  1 1 1       7    3   24 o    2.374000      0.4767000       2.181000 0.6440000       2.567000      0.7029000     -0.3861000      0.9533000
  1 1 1       7    3   25 o    18.16000      0.3745000       17.52000 0.5057000       18.80000      0.5526000      -1.284000      0.7491000
  1 1 1       7    3   26 o    9.868000      0.1952000       9.756000 0.2615000       9.980000      0.2899000     -0.2236000      0.3904000
  1 1 1       7    3   27 o    1.740000      0.5108000       1.921000 0.7442000       1.558000      0.6998000      0.3636000       1.022000
  1 1 1       7    3   28 o    3.347000      0.5121000       2.937000 0.7222000       3.757000      0.7261000     -0.8206000       1.024000
  1 1 1       7    3   29 o    1.972000      0.4671000       2.268000 0.6242000       1.675000      0.6949000      0.5932000      0.9341000
  1 1 1       7    3   30 o    10.32000      0.2197000       10.63000 0.2933000       10.01000      0.3273000      0.6143000      0.4395000
  1 1 1       7    3   31 o    3.795000      0.3989000       3.962000 0.4547000       3.628000      0.6555000      0.3349000      0.7978000
  1 1 1       7    3   32 o    5.141000      0.3170000       4.885000 0.3998000       5.396000      0.4919000     -0.5117000      0.6339000
  1 1 1       7    3   33 o    6.839000      0.2679000       6.957000 0.3295000       6.720000      0.4226000      0.2374000      0.5359000
  1 1 1       7    3   34 o    2.422000      0.5452000       2.334000 0.7199000       2.510000      0.8189000     -0.1768000       1.090000
  1 1 1       7    3   35 o    2.678000      0.5032000       1.951000 0.7286000       3.405000      0.6943000      -1.454000       1.006000
  1 1 1       7    3   36 f    2.745000      0.5113000       2.610000 0.7301000       2.881000      0.7160000     -0.2713000       1.023000
  1 1 1       7    3   37 o    2.918000      0.5423000       2.859000 0.7121000       2.977000      0.8180000     -0.1187000       1.085000
  1 1 1       7    4    0 o    12.33000      0.1808000       12.39000 0.2566000       12.26000      0.2547000      0.1213000      0.3615000
  1 1 1       7    4    1 o    6.805000      0.1257000       6.782000 0.1778000       6.829000      0.1779000     -0.4664000E-01  0.2515000
  1 1 1       7    4    2 o    22.02000      0.2997000       22.17000 0.4265000       21.87000      0.4212000      0.2974000      0.5994000
  1 1 1       7    4    3 o    12.94000      0.1842000       13.11000 0.2625000       12.77000      0.2585000      0.3329000      0.3684000
  1 1 1       7    4    4 o    15.50000      0.2144000       15.37000 0.3007000       15.63000      0.3057000     -0.2535000      0.4288000
  1 1 1       7    4    5 o    20.64000      0.2796000       20.73000 0.3972000       20.56000      0.3937000      0.1698000      0.5593000
  1 1 1       7    4    6 o    12.62000      0.1758000       12.57000 0.2483000       12.68000      0.2490000     -0.1162000      0.3517000
  1 1 1       7    4    7 o    15.88000      0.2159000       15.80000 0.3041000       15.95000      0.3065000     -0.1493000      0.4318000
  1 1 1       7    4    8 o    27.76000      0.4561000       27.86000 0.7465000       27.67000      0.5242000      0.1885000      0.9121000
  1 1 1       7    4    9 o    30.25000      0.8093000       30.25000 0.8093000                  ?              ?              ?              ?
  1 1 1       7    4   10 f    12.34000      0.2482000       12.26000 0.3572000       12.42000      0.3446000     -0.1624000      0.4963000
  1 1 1       7    4   11 o    10.87000      0.2316000                  ?       ?   10.87000      0.2316000                  ?              ?
  1 1 1       7    4   12 o    10.27000      0.2207000       10.57000 0.3297000       9.974000      0.2935000      0.5943000      0.4414000
  1 1 1       7    4   13 o    6.316000      0.1567000       6.248000 0.2301000       6.385000      0.2127000     -0.1368000      0.3134000
  1 1 1       7    4   14 o    3.196000      0.1703000       3.473000 0.2855000       2.919000      0.1860000      0.5534000      0.3407000
  1 1 1       7    4   15 o    5.931000      0.1162000       5.949000 0.1632000       5.913000      0.1655000      0.3579000E-01  0.2324000
  1 1 1       7    4   16 o    2.591000      0.1727000       2.708000 0.2169000       2.474000      0.2689000      0.2344000      0.3455000
  1 1 1       7    4   17 o    10.98000      0.1653000       10.91000 0.2303000       11.04000      0.2372000     -0.1239000      0.3306000
  1 1 1       7    4   18 f    10.74000      0.1659000       10.48000 0.2278000       11.01000      0.2413000     -0.5203000      0.3319000
  1 1 1       7    4   19 o    1.876000      0.3017000       1.553000 0.4422000       2.198000      0.4106000     -0.6453000      0.6034000
  1 1 1       7    4   20 o    9.517000      0.1626000       9.604000 0.2251000       9.431000      0.2346000      0.1729000      0.3251000
  1 1 1       7    4   21 o    14.49000      0.2145000       14.42000 0.2993000       14.55000      0.3073000     -0.1331000      0.4290000
  1 1 1       7    4   22 o    7.920000      0.1662000       7.427000 0.2234000       8.414000      0.2462000     -0.9876000      0.3325000
  1 1 1       7    4   23 o    5.859000      0.2436000       5.348000 0.3241000       6.369000      0.3636000      -1.021000      0.4871000
  1 1 1       7    4   24 o    5.935000      0.2515000       5.839000 0.3237000       6.030000      0.3848000     -0.1910000      0.5029000
  1 1 1       7    4   25 o    2.528000      0.3820000       2.795000 0.4665000       2.261000      0.6049000      0.5339000      0.7639000
  1 1 1       7    4   26 o    6.986000      0.1950000       6.478000 0.2625000       7.494000      0.2884000      -1.016000      0.3900000
  1 1 1       7    4   27 o    4.950000      0.3614000       4.627000 0.5094000       5.272000      0.5127000     -0.6451000      0.7227000
  1 1 1       7    4   28 o    10.40000      0.2075000       10.51000 0.2805000       10.29000      0.3059000      0.2226000      0.4150000
  1 1 1       7    4   29 f    2.437000      0.4752000       2.259000 0.6378000       2.614000      0.7047000     -0.3552000      0.9505000
  1 1 1       7    4   30 o    8.566000      0.2171000       8.164000 0.2956000       8.968000      0.3180000     -0.8034000      0.4342000
  1 1 1       7    4   31 f    5.708000      0.2745000       6.191000 0.3279000       5.226000      0.4403000      0.9651000      0.5490000
  1 1 1       7    4   32 o    4.541000      0.3613000       5.086000 0.3914000       3.996000      0.6073000       1.090000      0.7225000
  1 1 1       7    4   33 o    2.885000      0.4865000       3.593000 0.5528000       2.176000      0.8006000       1.416000      0.9730000
  1 1 1       7    4   34 o    4.697000      0.3477000       4.605000 0.4514000       4.789000      0.5290000     -0.1845000      0.6955000
  1 1 1       7    4   35 o    2.741000      0.4987000       3.237000 0.6079000       2.246000      0.7907000      0.9914000      0.9974000
  1 1 1       7    4   36 o    4.102000      0.3915000       4.710000 0.4377000       3.494000      0.6492000       1.215000      0.7829000
  1 1 1       7    4   37 o    2.595000      0.7289000       2.595000 0.7289000                  ?              ?              ?              ?
  1 1 1       7    5    0 o    22.62000      0.3095000       22.37000 0.4328000       22.88000      0.4425000     -0.5117000      0.6189000
  1 1 1       7    5    1 o    21.91000      0.2994000       22.33000 0.4310000       21.49000      0.4158000      0.8399000      0.5988000
  1 1 1       7    5    2 o    13.99000      0.1986000       14.08000 0.2826000       13.89000      0.2791000      0.1894000      0.3971000
  1 1 1       7    5    3 o    16.43000      0.2281000       16.12000 0.3164000       16.75000      0.3287000     -0.6295000      0.4562000
  1 1 1       7    5    4 o    14.54000      0.2030000       14.55000 0.2872000       14.53000      0.2868000      0.1782000E-01  0.4059000
  1 1 1       7    5    5 o    13.90000      0.1935000       14.03000 0.2763000       13.76000      0.2711000      0.2735000      0.3871000
  1 1 1       7    5    6 o    21.41000      0.2890000       21.52000 0.4107000       21.30000      0.4067000      0.2203000      0.5780000
  1 1 1       7    5    7 o    17.14000      0.2322000       17.05000 0.3263000       17.23000      0.3304000     -0.1845000      0.4643000
  1 1 1       7    5    8 o    15.53000      0.2568000       15.86000 0.3047000       15.21000      0.4134000      0.6520000      0.5135000
  1 1 1       7    5    9 o    36.13000      0.6867000       36.13000 0.6867000                  ?              ?              ?              ?
  1 1 1       7    5   10 o    21.03000      0.2884000       21.12000 0.4116000       20.95000      0.4042000      0.1656000      0.5769000
  1 1 1       7    5   12 o    7.283000      0.1312000       7.247000 0.1948000       7.318000      0.1759000     -0.7084000E-01  0.2625000
  1 1 1       7    5   13 o    3.287000      0.2125000       3.206000 0.3461000       3.367000      0.2467000     -0.1611000      0.4250000
  1 1 1       7    5   14 o    9.274000      0.1400000       9.123000 0.1963000       9.426000      0.1996000     -0.3031000      0.2800000
  1 1 1       7    5   15 o    16.97000      0.2347000       16.52000 0.3234000       17.43000      0.3403000     -0.9051000      0.4694000
  1 1 1       7    5   16 o    12.44000      0.1807000       12.34000 0.2545000       12.54000      0.2566000     -0.2066000      0.3614000
  1 1 1       7    5   17 o    10.89000      0.1661000       10.87000 0.2349000       10.90000      0.2348000     -0.3296000E-01  0.3322000
  1 1 1       7    5   18 o    9.835000      0.1572000       10.05000 0.2205000       9.615000      0.2241000      0.4399000      0.3144000
  1 1 1       7    5   19 o    4.837000      0.1978000       4.982000 0.1932000       4.693000      0.3452000      0.2889000      0.3956000
  1 1 1       7    5   20 o    9.248000      0.1612000       9.534000 0.2256000       8.962000      0.2302000      0.5719000      0.3223000
  1 1 1       7    5   21 o    7.953000      0.1574000       8.100000 0.2180000       7.806000      0.2271000      0.2939000      0.3148000
  1 1 1       7    5   22 o    5.995000      0.2253000       5.988000 0.2971000       6.001000      0.3388000     -0.1280000E-01  0.4506000
  1 1 1       7    5   23 f    8.745000      0.2310000       8.696000 0.3118000       8.795000      0.3409000     -0.9954000E-01  0.4620000
  1 1 1       7    5   24 o    4.105000      0.2292000       4.316000 0.2914000       3.894000      0.3538000      0.4218000      0.4584000
  1 1 1       7    5   25 o    4.736000      0.2156000       4.564000 0.2944000       4.907000      0.3151000     -0.3423000      0.4312000
  1 1 1       7    5   26 o    2.199000      0.5232000       2.328000 0.7346000       2.070000      0.7452000      0.2578000       1.046000
  1 1 1       7    5   27 o    12.23000      0.2110000       12.52000 0.2925000       11.94000      0.3043000      0.5796000      0.4221000
  1 1 1       7    5   28 o    6.479000      0.2200000       6.217000 0.2939000       6.741000      0.3274000     -0.5240000      0.4399000
  1 1 1       7    5   29 o    6.548000      0.2321000       6.649000 0.2934000       6.448000      0.3597000      0.2014000      0.4642000
  1 1 1       7    5   30 o    10.36000      0.2175000       10.49000 0.2929000       10.24000      0.3217000      0.2550000      0.4351000
  1 1 1       7    5   31 o    4.011000      0.3591000       4.227000 0.4215000       3.795000      0.5816000      0.4321000      0.7183000
  1 1 1       7    5   32 o    1.992000      0.5146000       2.199000 0.7086000       1.785000      0.7465000      0.4132000       1.029000
  1 1 1       7    5   33 o    3.562000      0.4373000       3.024000 0.6268000       4.100000      0.6101000      -1.076000      0.8747000
  1 1 1       7    5   34 o    3.949000      0.3992000       3.970000 0.5146000       3.928000      0.6105000      0.4220000E-01  0.7984000
  1 1 1       7    5   35 o    4.808000      0.3294000       4.698000 0.4439000       4.917000      0.4868000     -0.2191000      0.6588000
  1 1 1       7    5   36 o    1.514000      0.4662000       1.619000 0.6680000       1.409000      0.6504000      0.2101000      0.9323000
  1 1 1       7    5   37 o    2.627000      0.4965000       3.132000 0.6989000       2.122000      0.7053000       1.010000      0.9929000
  1 1 1       7    6    0 o    13.29000      0.1942000       13.36000 0.2755000       13.22000      0.2737000      0.1344000      0.3884000
  1 1 1       7    6    1 o    18.12000      0.2518000       18.14000 0.3566000       18.10000      0.3557000      0.4084000E-01  0.5037000
  1 1 1       7    6    2 o    11.58000      0.1712000       11.73000 0.2448000       11.44000      0.2394000      0.2948000      0.3424000
  1 1 1       7    6    3 f    13.06000      0.1874000       13.25000 0.2677000       12.88000      0.2625000      0.3675000      0.3749000
  1 1 1       7    6    4 o    9.126000      0.1407000       9.053000 0.1972000       9.199000      0.2008000     -0.1460000      0.2814000
  1 1 1       7    6    5 o    12.14000      0.1720000       12.16000 0.2436000       12.11000      0.2429000      0.5624000E-01  0.3440000
  1 1 1       7    6    6 o    22.57000      0.3042000       22.68000 0.4321000       22.47000      0.4284000      0.2110000      0.6085000
  1 1 1       7    6    7 o    34.83000      0.4663000       34.89000 0.6597000       34.77000      0.6593000      0.1247000      0.9326000
  1 1 1       7    6    8 o    14.10000      0.2012000       14.01000 0.2746000       14.19000      0.2942000     -0.1804000      0.4024000
  1 1 1       7    6    9 o    18.34000      0.2651000       18.26000 0.3598000       18.42000      0.3895000     -0.1576000      0.5302000
  1 1 1       7    6   10 o    17.25000      0.2979000       17.08000 0.3524000       17.43000      0.4805000     -0.3490000      0.5959000
  1 1 1       7    6   11 o    26.84000      0.3755000       27.04000 0.5474000       26.64000      0.5142000      0.4048000      0.7510000
  1 1 1       7    6   12 o    16.28000      0.2378000       16.36000 0.3491000       16.19000      0.3231000      0.1678000      0.4756000
  1 1 1       7    6   13 o    5.303000      0.2393000       4.951000 0.4443000       5.656000      0.1781000     -0.7049000      0.4787000
  1 1 1       7    6   14 o    15.08000      0.2118000       14.97000 0.2990000       15.20000      0.2999000     -0.2252000      0.4235000
  1 1 1       7    6   15 o    19.47000      0.2667000       19.39000 0.3758000       19.55000      0.3786000     -0.1630000      0.5335000
  1 1 1       7    6   16 o    9.122000      0.1472000       9.195000 0.2090000       9.050000      0.2073000      0.1455000      0.2944000
  1 1 1       7    6   17 o    4.568000      0.1421000       4.691000 0.1981000       4.445000      0.2039000      0.2465000      0.2843000
  1 1 1       7    6   18 o    6.167000      0.1414000       6.069000 0.1980000       6.265000      0.2019000     -0.1955000      0.2828000
  1 1 1       7    6   19 o    8.848000      0.2188000       8.832000 0.2900000       8.864000      0.3278000     -0.3146000E-01  0.4376000
  1 1 1       7    6   20 f    8.144000      0.1592000       8.104000 0.2270000       8.184000      0.2234000     -0.7978000E-01  0.3185000
  1 1 1       7    6   21 o    8.076000      0.2115000       8.094000 0.2895000       8.059000      0.3084000      0.3475000E-01  0.4230000
  1 1 1       7    6   22 o    7.493000      0.1635000       7.237000 0.2201000       7.748000      0.2417000     -0.5116000      0.3269000
  1 1 1       7    6   23 o    2.739000      0.3024000       2.630000 0.4092000       2.849000      0.4453000     -0.2194000      0.6047000
  1 1 1       7    6   24 o    1.881000      0.4622000       2.392000 0.6957000       1.369000      0.6089000       1.023000      0.9245000
  1 1 1       7    6   25 o    2.870000      0.4864000       3.296000 0.6170000       2.444000      0.7521000      0.8520000      0.9728000
  1 1 1       7    6   26 o    3.558000      0.3765000       3.597000 0.3728000       3.519000      0.6542000      0.7861000E-01  0.7529000
  1 1 1       7    6   27 o    12.03000      0.2084000       11.95000 0.2873000       12.10000      0.3019000     -0.1541000      0.4168000
  1 1 1       7    6   28 o    6.788000      0.2114000       6.576000 0.2810000       7.001000      0.3159000     -0.4247000      0.4227000
  1 1 1       7    6   29 o    3.049000      0.3992000       2.887000 0.5367000       3.212000      0.5911000     -0.3247000      0.7984000
  1 1 1       7    6   30 o    7.499000      0.2232000       7.422000 0.2962000       7.576000      0.3340000     -0.1540000      0.4464000
  1 1 1       7    6   31 o    3.652000      0.3956000       3.930000 0.4708000       3.374000      0.6359000      0.5566000      0.7912000
  1 1 1       7    6   32 o    2.891000      0.4894000       2.630000 0.6771000       3.153000      0.7069000     -0.5230000      0.9789000
  1 1 1       7    6   33 o    2.710000      0.4882000       1.758000 0.6957000       3.661000      0.6852000      -1.903000      0.9765000
  1 1 1       7    6   34 o    2.676000      0.5317000       2.305000 0.7325000       3.047000      0.7708000     -0.7418000       1.063000
  1 1 1       7    6   35 o    3.083000      0.4909000       3.581000 0.5506000       2.585000      0.8128000      0.9953000      0.9818000
  1 1 1       7    6   36 o    1.835000      0.5193000       1.670000 0.6934000       2.000000      0.7732000     -0.3296000       1.039000
  1 1 1       7    6   37 o    1.899000      0.5299000       1.864000 0.7431000       1.934000      0.7555000     -0.6917000E-01   1.060000
  1 1 1       7    7    0 o    4.858000      0.1926000       4.902000 0.2816000       4.815000      0.2628000      0.8745000E-01  0.3852000
  1 1 1       7    7    1 o    17.99000      0.2507000       17.92000 0.3532000       18.06000      0.3558000     -0.1377000      0.5014000
  1 1 1       7    7    2 o    5.042000      0.1321000       5.205000 0.1833000       4.879000      0.1902000      0.3259000      0.2642000
  1 1 1       7    7    3 o    28.58000      0.3855000       28.18000 0.5378000       28.98000      0.5526000     -0.8063000      0.7711000
  1 1 1       7    7    4 o    6.995000      0.1453000       7.166000 0.1741000       6.823000      0.2326000      0.3430000      0.2905000
  1 1 1       7    7    5 o    22.83000      0.3085000       23.01000 0.4395000       22.65000      0.4331000      0.3644000      0.6170000
  1 1 1       7    7    6 o    23.21000      0.3132000       22.71000 0.4329000       23.71000      0.4526000      -1.001000      0.6263000
  1 1 1       7    7    7 o    22.98000      0.3103000       22.91000 0.4369000       23.04000      0.4407000     -0.1255000      0.6206000
  1 1 1       7    7    8 o    13.27000      0.2017000       13.34000 0.2677000       13.21000      0.3019000      0.1351000      0.4034000
  1 1 1       7    7    9 o    7.556000      0.1642000       7.692000 0.2343000       7.419000      0.2302000      0.2732000      0.3284000
  1 1 1       7    7   10 o    27.30000      0.3755000       26.87000 0.5275000       27.74000      0.5346000     -0.8675000      0.7510000
  1 1 1       7    7   11 o    22.31000      0.3221000       22.09000 0.4702000       22.53000      0.4402000     -0.4490000      0.6441000
  1 1 1       7    7   12 o    11.27000      0.2300000       11.23000 0.3234000       11.31000      0.3270000     -0.8418000E-01  0.4599000
  1 1 1       7    7   13 o    7.481000      0.1484000       7.669000 0.2226000       7.293000      0.1964000      0.3765000      0.2968000
  1 1 1       7    7   14 o    7.014000      0.1362000       6.822000 0.1982000       7.205000      0.1868000     -0.3826000      0.2724000
  1 1 1       7    7   15 f    9.629000      0.1550000       9.837000 0.2243000       9.421000      0.2141000      0.4162000      0.3101000
  1 1 1       7    7   16 o    4.935000      0.1375000       5.110000 0.1953000       4.760000      0.1937000      0.3502000      0.2751000
  1 1 1       7    7   17 o    5.443000      0.1390000       5.547000 0.1948000       5.339000      0.1983000      0.2080000      0.2779000
  1 1 1       7    7   18 o    5.453000      0.1690000       5.199000 0.2048000       5.707000      0.2689000     -0.5082000      0.3381000
  1 1 1       7    7   19 o    13.36000      0.2736000       12.70000 0.3694000       14.02000      0.4038000      -1.316000      0.5472000
  1 1 1       7    7   20 o    1.095000      0.3417000       1.081000 0.4719000       1.109000      0.4943000     -0.2781000E-01  0.6834000
  1 1 1       7    7   21 o    2.259000      0.3137000       2.083000 0.4576000       2.435000      0.4292000     -0.3518000      0.6274000
  1 1 1       7    7   22 o    8.896000      0.1701000       8.947000 0.2424000       8.845000      0.2387000      0.1024000      0.3402000
  1 1 1       7    7   23 o    5.492000      0.2808000       5.775000 0.3808000       5.209000      0.4129000      0.5668000      0.5617000
  1 1 1       7    7   24 o    7.037000      0.2728000       7.508000 0.3678000       6.566000      0.4030000      0.9427000      0.5456000
  1 1 1       7    7   25 o    4.765000      0.2132000       4.363000 0.3014000       5.168000      0.3016000     -0.8055000      0.4264000
  1 1 1       7    7   26 o    6.374000      0.1966000       5.961000 0.2667000       6.787000      0.2889000     -0.8257000      0.3932000
  1 1 1       7    7   27 o    9.637000      0.1941000       9.556000 0.2610000       9.718000      0.2873000     -0.1627000      0.3882000
  1 1 1       7    7   28 o    8.233000      0.2020000       8.233000 0.2687000       8.233000      0.3018000      0.2079000E-03  0.4041000
  1 1 1       7    7   29 o    4.685000      0.2690000       3.927000 0.3826000       5.443000      0.3783000      -1.516000      0.5380000
  1 1 1       7    7   30 o    2.020000      0.4742000       2.355000 0.6503000       1.685000      0.6904000      0.6700000      0.9484000
  1 1 1       7    7   31 o    3.457000      0.4324000       4.193000 0.4550000       2.721000      0.7354000       1.472000      0.8648000
  1 1 1       7    7   32 o    2.130000      0.5256000       2.223000 0.7130000       2.037000      0.7723000      0.1860000       1.051000
  1 1 1       7    7   33 o    1.695000      0.4987000       1.418000 0.6268000       1.971000      0.7758000     -0.5531000      0.9974000
  1 1 1       7    7   34 o    2.978000      0.4962000       2.859000 0.6786000       3.096000      0.7242000     -0.2372000      0.9925000
  1 1 1       7    7   35 f    1.862000      0.5247000       1.792000 0.7107000       1.931000      0.7721000     -0.1388000       1.049000
  1 1 1       7    7   36 o    1.922000      0.5324000       1.786000 0.7180000       2.058000      0.7863000     -0.2726000       1.065000
  1 1 1       7    7   37 o    3.158000      0.4858000       2.414000 0.7833000       3.903000      0.5750000      -1.489000      0.9717000
  1 1 1       7    8    0 o    5.470000      0.1438000       5.374000 0.2021000       5.566000      0.2047000     -0.1924000      0.2876000
  1 1 1       7    8    1 o    15.59000      0.2223000       15.57000 0.3140000       15.61000      0.3147000     -0.4692000E-01  0.4446000
  1 1 1       7    8    2 o    33.12000      0.4463000       32.87000 0.6266000       33.37000      0.6356000     -0.5021000      0.8926000
  1 1 1       7    8    3 o    13.99000      0.1987000       13.97000 0.2808000       14.00000      0.2812000     -0.3034000E-01  0.3975000
  1 1 1       7    8    4 f    18.26000      0.2508000       18.36000 0.3560000       18.17000      0.3533000      0.1930000      0.5015000
  1 1 1       7    8    5 o    26.45000      0.3562000       26.34000 0.5015000       26.57000      0.5061000     -0.2285000      0.7125000
  1 1 1       7    8    6 o    9.431000      0.1409000       9.337000 0.1951000       9.524000      0.2034000     -0.1869000      0.2818000
  1 1 1       7    8    7 o    16.51000      0.2760000       16.65000 0.3239000       16.37000      0.4469000      0.2777000      0.5519000
  1 1 1       7    8    8 o    4.136000      0.1682000       4.165000 0.2431000       4.107000      0.2326000      0.5832000E-01  0.3364000
  1 1 1       7    8    9 o    18.26000      0.2766000       18.47000 0.3791000       18.05000      0.4028000      0.4159000      0.5532000
  1 1 1       7    8   10 o    22.82000      0.3252000       22.91000 0.4686000       22.73000      0.4511000      0.1795000      0.6504000
  1 1 1       7    8   11 o    12.55000      0.2215000       12.48000 0.3382000       12.62000      0.2862000     -0.1379000      0.4430000
  1 1 1       7    8   12 o    10.50000      0.1939000       10.28000 0.2907000       10.71000      0.2566000     -0.4351000      0.3877000
  1 1 1       7    8   13 o    15.18000      0.2260000       14.91000 0.3255000       15.46000      0.3137000     -0.5534000      0.4521000
  1 1 1       7    8   14 o    9.107000      0.1615000       8.926000 0.2346000       9.288000      0.2219000     -0.3614000      0.3229000
  1 1 1       7    8   15 o    10.39000      0.1646000       10.22000 0.2342000       10.57000      0.2315000     -0.3439000      0.3293000
  1 1 1       7    8   16 o    2.041000      0.4287000       2.094000 0.6199000       1.989000      0.5922000      0.1045000      0.8573000
  1 1 1       7    8   17 o    4.053000      0.2181000       4.156000 0.3000000       3.951000      0.3166000      0.2048000      0.4362000
  1 1 1       7    8   18 o    8.903000      0.2090000       8.923000 0.2949000       8.882000      0.2963000      0.4104000E-01  0.4180000
  1 1 1       7    8   19 o    6.426000      0.1524000       6.571000 0.2172000       6.280000      0.2137000      0.2911000      0.3047000
  1 1 1       7    8   20 f    2.930000      0.2376000       2.873000 0.3453000       2.987000      0.3266000     -0.1138000      0.4753000
  1 1 1       7    8   21 o    5.065000      0.3087000       4.406000 0.4879000       5.724000      0.3784000      -1.318000      0.6174000
  1 1 1       7    8   22 o    6.968000      0.2799000       6.621000 0.4271000       7.315000      0.3619000     -0.6940000      0.5598000
  1 1 1       7    8   23 o    10.77000      0.1889000       10.76000 0.2697000       10.78000      0.2644000     -0.1931000E-01  0.3777000
  1 1 1       7    8   24 o    9.207000      0.1855000       8.996000 0.2644000       9.418000      0.2602000     -0.4218000      0.3710000
  1 1 1       7    8   25 o    13.09000      0.2111000       13.21000 0.2967000       12.96000      0.3005000      0.2512000      0.4223000
  1 1 1       7    8   26 o    13.93000      0.2211000       13.81000 0.3067000       14.06000      0.3186000     -0.2541000      0.4423000
  1 1 1       7    8   27 o    7.785000      0.1910000       7.739000 0.2582000       7.830000      0.2817000     -0.9007000E-01  0.3821000
  1 1 1       7    8   28 o    3.706000      0.3177000       3.833000 0.3841000       3.578000      0.5062000      0.2554000      0.6355000
  1 1 1       7    8   29 o    3.617000      0.3252000       3.588000 0.4017000       3.646000      0.5114000     -0.5761000E-01  0.6503000
  1 1 1       7    8   30 o    6.546000      0.2363000       6.542000 0.3065000       6.551000      0.3598000     -0.9234000E-02  0.4727000
  1 1 1       7    8   31 o    7.102000      0.2439000       7.236000 0.3188000       6.969000      0.3692000      0.2667000      0.4878000
  1 1 1       7    8   32 o    6.917000      0.2475000       6.791000 0.3361000       7.044000      0.3635000     -0.2529000      0.4950000
  1 1 1       7    8   33 o    2.213000      0.5289000       1.912000 0.7076000       2.514000      0.7862000     -0.6020000       1.058000
  1 1 1       7    8   34 o    5.324000      0.3037000       5.537000 0.4024000       5.111000      0.4550000      0.4262000      0.6075000
  1 1 1       7    8   35 o    4.769000      0.3517000       4.993000 0.4456000       4.545000      0.5441000      0.4485000      0.7033000
  1 1 1       7    8   36 o    2.937000      0.5200000       3.045000 0.6738000       2.828000      0.7921000      0.2171000       1.040000
  1 1 1       7    8   37 f    2.757000      0.6269000       3.136000 0.8812000       2.378000      0.8918000      0.7579000       1.254000
  1 1 1       7    9    0 o    22.24000      0.4338000       22.32000 0.6147000       22.16000      0.6124000      0.1528000      0.8677000
  1 1 1       7    9    2 o    19.58000      0.3838000       18.79000 0.5216000       20.37000      0.5632000      -1.577000      0.7676000
  1 1 1       7    9    3 o    16.75000      0.2335000       16.48000 0.3257000       17.01000      0.3346000     -0.5287000      0.4669000
  1 1 1       7    9    4 o    13.88000      0.1958000       13.78000 0.2745000       13.99000      0.2794000     -0.2113000      0.3916000
  1 1 1       7    9    5 o    16.00000      0.2206000       16.06000 0.3126000       15.93000      0.3115000      0.1343000      0.4413000
  1 1 1       7    9    6 o    6.195000      0.1658000       6.070000 0.1658000       6.320000      0.2872000     -0.2507000      0.3316000
  1 1 1       7    9    7 o    22.54000      0.3756000       22.23000 0.4284000       22.85000      0.6170000     -0.6160000      0.7511000
  1 1 1       7    9    8 o    24.72000      0.4080000       25.38000 0.4925000       24.06000      0.6508000       1.320000      0.8161000
  1 1 1       7    9    9 o    20.10000      0.3066000       20.32000 0.4197000       19.89000      0.4470000      0.4302000      0.6132000
  1 1 1       7    9   10 o    21.00000      0.4514000       21.00000 0.4514000                  ?              ?              ?              ?
  1 1 1       7    9   11 o    23.76000      0.3511000       23.50000 0.5143000       24.03000      0.4782000     -0.5343000      0.7023000
  1 1 1       7    9   12 o    10.40000      0.4622000                  ?       ?   10.40000      0.4622000                  ?              ?
  1 1 1       7    9   13 o    15.96000      0.4298000       16.01000 0.6948000       15.91000      0.5060000      0.1025000      0.8595000
  1 1 1       7    9   14 o    10.47000      0.3136000       10.62000 0.4996000       10.33000      0.3791000      0.2909000      0.6271000
  1 1 1       7    9   16 o    3.105000      0.2295000       3.620000 0.3025000       2.589000      0.3453000       1.030000      0.4591000
  1 1 1       7    9   17 o    7.481000      0.1544000       7.772000 0.2269000       7.190000      0.2096000      0.5817000      0.3089000
  1 1 1       7    9   18 o    8.980000      0.2014000       9.234000 0.3404000       8.726000      0.2155000      0.5085000      0.4029000
  1 1 1       7    9   19 f    2.415000      0.3966000       3.164000 0.5164000       1.667000      0.6021000       1.497000      0.7932000
  1 1 1       7    9   20 o    10.51000      0.2643000       10.37000 0.3844000       10.65000      0.3627000     -0.2767000      0.5285000
  1 1 1       7    9   21 o    4.423000      0.1955000       4.518000 0.2747000       4.329000      0.2783000      0.1890000      0.3910000
  1 1 1       7    9   22 o    8.833000      0.2013000       9.198000 0.3211000       8.467000      0.2430000      0.7308000      0.4027000
  1 1 1       7    9   23 o    5.202000      0.1969000       5.296000 0.2726000       5.108000      0.2842000      0.1886000      0.3938000
  1 1 1       7    9   24 f    4.122000      0.2391000       4.184000 0.3386000       4.060000      0.3376000      0.1235000      0.4781000
  1 1 1       7    9   25 o    14.79000      0.2312000       14.59000 0.3282000       14.99000      0.3256000     -0.4006000      0.4623000
  1 1 1       7    9   26 o    10.23000      0.2017000       10.25000 0.2887000       10.20000      0.2817000      0.4624000E-01  0.4033000
  1 1 1       7    9   27 o    8.905000      0.1940000       9.052000 0.2630000       8.758000      0.2852000      0.2944000      0.3880000
  1 1 1       7    9   28 o    4.575000      0.2625000       4.905000 0.3199000       4.245000      0.4162000      0.6600000      0.5249000
  1 1 1       7    9   29 o    5.960000      0.2310000       5.916000 0.3050000       6.005000      0.3471000     -0.8928000E-01  0.4620000
  1 1 1       7    9   30 o    8.698000      0.2154000       8.958000 0.2842000       8.439000      0.3237000      0.5184000      0.4307000
  1 1 1       7    9   31 o    8.889000      0.2210000       8.793000 0.2965000       8.986000      0.3278000     -0.1921000      0.4421000
  1 1 1       7    9   32 o    4.801000      0.3061000       4.673000 0.4146000       4.928000      0.4503000     -0.2556000      0.6121000
  1 1 1       7    9   33 o    5.734000      0.2843000       5.787000 0.3707000       5.680000      0.4310000      0.1068000      0.5686000
  1 1 1       7    9   34 o    4.119000      0.3745000       3.765000 0.5354000       4.473000      0.5239000     -0.7077000      0.7490000
  1 1 1       7    9   35 o    3.730000      0.4619000       4.352000 0.4990000       3.109000      0.7775000       1.242000      0.9239000
  1 1 1       7    9   36 o    1.951000      0.5858000       2.129000 0.8387000       1.774000      0.8182000      0.3553000       1.172000
  1 1 1       7    9   37 o    2.042000      0.5454000       2.234000 0.7807000       1.851000      0.7617000      0.3838000       1.091000
  1 1 1       7   10    0 o    11.82000      0.1820000       11.88000 0.2581000       11.75000      0.2566000      0.1366000      0.3639000
  1 1 1       7   10    1 o    4.830000      0.1477000       4.864000 0.2102000       4.796000      0.2077000      0.6738000E-01  0.2955000
  1 1 1       7   10    2 o    8.006000      0.1411000       8.037000 0.1999000       7.974000      0.1991000      0.6226000E-01  0.2822000
  1 1 1       7   10    3 o    30.07000      0.4968000       30.07000 0.8117000       30.08000      0.5731000     -0.8375000E-02  0.9936000
  1 1 1       7   10    4 o    9.304000      0.2080000       8.899000 0.2827000       9.708000      0.3051000     -0.8081000      0.4160000
  1 1 1       7   10    5 o    3.908000      0.1832000       4.114000 0.2431000       3.703000      0.2741000      0.4101000      0.3664000
  1 1 1       7   10    6 o    7.519000      0.1771000       7.338000 0.2496000       7.699000      0.2512000     -0.3611000      0.3541000
  1 1 1       7   10    7 o    14.19000      0.2848000       13.92000 0.4003000       14.47000      0.4053000     -0.5564000      0.5697000
  1 1 1       7   10    8 o    16.01000      0.3209000       15.63000 0.4528000       16.39000      0.4548000     -0.7650000      0.6418000
  1 1 1       7   10    9 o    6.477000      0.3544000       6.693000 0.6236000       6.260000      0.3371000      0.4335000      0.7089000
  1 1 1       7   10   10 o    18.26000      0.6862000       18.26000 0.6862000                  ?              ?              ?              ?
  1 1 1       7   10   11 o    23.80000      0.3590000       23.39000 0.5258000       24.22000      0.4889000     -0.8345000      0.7180000
  1 1 1       7   10   12 f    7.645000      0.2855000                  ?       ?   7.645000      0.2855000                  ?              ?
  1 1 1       7   10   13 o    6.043000      0.1820000       6.019000 0.2633000       6.066000      0.2513000     -0.4723000E-01  0.3640000
  1 1 1       7   10   14 o    15.73000      0.2738000       15.36000 0.4362000       16.09000      0.3311000     -0.7278000      0.5477000
  1 1 1       7   10   15 o    4.524000      0.2074000       4.178000 0.3079000       4.870000      0.2779000     -0.6916000      0.4148000
  1 1 1       7   10   16 o    7.221000      0.2064000       7.313000 0.2968000       7.128000      0.2869000      0.1852000      0.4128000
  1 1 1       7   10   17 o    5.749000      0.2212000       5.313000 0.3265000       6.186000      0.2986000     -0.8738000      0.4425000
  1 1 1       7   10   18 o    11.30000      0.2255000       10.76000 0.3659000       11.84000      0.2636000      -1.076000      0.4509000
  1 1 1       7   10   19 o    1.818000      0.3717000       1.711000 0.5361000       1.924000      0.5149000     -0.2134000      0.7433000
  1 1 1       7   10   20 o    4.000000      0.2452000       4.271000 0.3764000       3.730000      0.3145000      0.5407000      0.4905000
  1 1 1       7   10   21 o    6.770000      0.1710000       6.705000 0.2444000       6.835000      0.2391000     -0.1304000      0.3419000
  1 1 1       7   10   22 o    8.670000      0.1761000       8.814000 0.2508000       8.525000      0.2472000      0.2891000      0.3521000
  1 1 1       7   10   23 o    8.611000      0.1803000       8.613000 0.2589000       8.609000      0.2512000      0.3987000E-02  0.3607000
  1 1 1       7   10   24 o    7.956000      0.1843000       7.807000 0.2600000       8.105000      0.2612000     -0.2974000      0.3686000
  1 1 1       7   10   25 o    3.878000      0.2747000       4.094000 0.3544000       3.661000      0.4197000      0.4334000      0.5493000
  1 1 1       7   10   26 o    2.938000      0.3641000       2.574000 0.5623000       3.302000      0.4628000     -0.7274000      0.7283000
  1 1 1       7   10   27 o    8.852000      0.2036000       8.799000 0.2862000       8.906000      0.2898000     -0.1074000      0.4073000
  1 1 1       7   10   28 o    16.94000      0.2626000       16.81000 0.3723000       17.06000      0.3703000     -0.2430000      0.5251000
  1 1 1       7   10   29 o    10.02000      0.2055000       10.20000 0.2843000       9.835000      0.2969000      0.3622000      0.4111000
  1 1 1       7   10   30 o    3.799000      0.3429000       3.594000 0.4718000       4.004000      0.4976000     -0.4093000      0.6857000
  1 1 1       7   10   31 o    4.548000      0.3135000       4.486000 0.4262000       4.609000      0.4600000     -0.1231000      0.6271000
  1 1 1       7   10   32 o    6.871000      0.2473000       6.555000 0.3377000       7.186000      0.3613000     -0.6304000      0.4946000
  1 1 1       7   10   33 o    1.794000      0.4995000       2.001000 0.7070000       1.587000      0.7057000      0.4146000      0.9990000
  1 1 1       7   10   34 o    1.828000      0.5630000       1.281000 0.6185000       2.374000      0.9410000      -1.094000       1.126000
  1 1 1       7   10   35 o    2.344000      0.6354000       2.239000 0.8379000       2.449000      0.9553000     -0.2098000       1.271000
  1 1 1       7   10   36 o    1.508000      0.4802000       1.446000 0.6543000       1.570000      0.7030000     -0.1246000      0.9604000
  1 1 1       7   11    0 o    6.102000      0.1980000       5.949000 0.2901000       6.255000      0.2697000     -0.3057000      0.3961000
  1 1 1       7   11    1 o    10.74000      0.2353000       10.57000 0.3336000       10.90000      0.3319000     -0.3261000      0.4706000
  1 1 1       7   11    2 o    8.522000      0.1985000       8.380000 0.2836000       8.664000      0.2776000     -0.2842000      0.3969000
  1 1 1       7   11    3 o    15.40000      0.3048000       15.51000 0.4334000       15.30000      0.4286000      0.2109000      0.6095000
  1 1 1       7   11    4 o    15.30000      0.2143000       15.42000 0.3041000       15.17000      0.3020000      0.2515000      0.4286000
  1 1 1       7   11    5 o    12.58000      0.1847000       12.81000 0.2610000       12.35000      0.2613000      0.4630000      0.3693000
  1 1 1       7   11    6 o    18.57000      0.3831000       18.37000 0.5140000       18.77000      0.5683000     -0.3968000      0.7662000
  1 1 1       7   11    7 o    11.36000      0.1961000       11.24000 0.2605000       11.49000      0.2932000     -0.2501000      0.3922000
  1 1 1       7   11    8 o    13.45000      0.2868000       13.74000 0.4266000       13.16000      0.3834000      0.5823000      0.5736000
  1 1 1       7   11    9 o    19.61000      0.3075000       19.82000 0.4242000       19.39000      0.4453000      0.4313000      0.6150000
  1 1 1       7   11   10 o    16.62000      0.4261000       16.85000 0.5118000       16.40000      0.6815000      0.4572000      0.8523000
  1 1 1       7   11   11 o    5.864000      0.4000000       5.949000 0.3948000       5.778000      0.6958000      0.1712000      0.8000000
  1 1 1       7   11   12 o    10.25000      0.2459000       9.741000 0.3252000       10.75000      0.3689000      -1.009000      0.4917000
  1 1 1       7   11   13 o    10.19000      0.2400000       9.780000 0.3250000       10.61000      0.3531000     -0.8256000      0.4800000
  1 1 1       7   11   14 o    20.61000      0.4019000       20.43000 0.5634000       20.79000      0.5733000     -0.3564000      0.8038000
  1 1 1       7   11   15 o    6.636000      0.1785000       6.358000 0.2690000       6.914000      0.2347000     -0.5561000      0.3570000
  1 1 1       7   11   16 o    6.803000      0.1749000       6.582000 0.2587000       7.024000      0.2353000     -0.4420000      0.3497000
  1 1 1       7   11   17 o    8.645000      0.2224000       9.199000 0.3814000       8.091000      0.2291000       1.107000      0.4449000
  1 1 1       7   11   18 o    9.879000      0.2296000       10.24000 0.3882000       9.514000      0.2454000      0.7307000      0.4593000
  1 1 1       7   11   19 o    2.095000      0.3841000       1.889000 0.5816000       2.302000      0.5020000     -0.4129000      0.7683000
  1 1 1       7   11   20 o    4.595000      0.2028000       4.594000 0.2937000       4.596000      0.2798000     -0.2471000E-02  0.4056000
  1 1 1       7   11   21 f    6.136000      0.1835000       6.263000 0.2647000       6.008000      0.2542000      0.2549000      0.3670000
  1 1 1       7   11   22 o    9.491000      0.1825000       9.802000 0.2619000       9.181000      0.2543000      0.6212000      0.3650000
  1 1 1       7   11   23 o    18.71000      0.2710000       18.61000 0.3828000       18.81000      0.3838000     -0.1984000      0.5421000
  1 1 1       7   11   24 o    9.289000      0.1876000       9.045000 0.2674000       9.534000      0.2632000     -0.4885000      0.3752000
  1 1 1       7   11   25 o    11.38000      0.2031000       11.35000 0.2897000       11.42000      0.2846000     -0.7191000E-01  0.4061000
  1 1 1       7   11   26 o    7.083000      0.2023000       6.965000 0.2903000       7.200000      0.2817000     -0.2353000      0.4045000
  1 1 1       7   11   27 o    4.522000      0.2709000       4.561000 0.3691000       4.482000      0.3966000      0.7923000E-01  0.5418000
  1 1 1       7   11   28 o    9.768000      0.2098000       9.543000 0.3019000       9.993000      0.2913000     -0.4496000      0.4196000
  1 1 1       7   11   29 o    4.843000      0.2842000       4.632000 0.4113000       5.055000      0.3923000     -0.4230000      0.5684000
  1 1 1       7   11   30 o    7.130000      0.2392000       7.079000 0.3394000       7.180000      0.3373000     -0.1010000      0.4785000
  1 1 1       7   11   31 o    2.214000      0.5032000       2.533000 0.6842000       1.895000      0.7380000      0.6377000       1.006000
  1 1 1       7   11   32 o    6.970000      0.2530000       6.732000 0.3476000       7.208000      0.3678000     -0.4760000      0.5060000
  1 1 1       7   11   33 o    2.942000      0.6122000       2.458000 0.8461000       3.426000      0.8851000     -0.9676000       1.224000
  1 1 1       7   11   34 o    3.281000      0.4842000       2.962000 0.6654000       3.600000      0.7035000     -0.6382000      0.9683000
  1 1 1       7   11   35 o    2.509000      0.5537000       2.514000 0.7519000       2.504000      0.8129000      0.1026000E-01   1.107000
  1 1 1       7   11   36 o    2.499000      0.6477000       2.803000 0.9283000       2.196000      0.9034000      0.6069000       1.295000
  1 1 1       7   12    0 o    12.48000      0.1892000       12.74000 0.2708000       12.22000      0.2644000      0.5169000      0.3784000
  1 1 1       7   12    1 o    16.31000      0.2309000       16.29000 0.3253000       16.33000      0.3279000     -0.3692000E-01  0.4619000
  1 1 1       7   12    2 o    28.84000      0.3900000       28.95000 0.5535000       28.73000      0.5497000      0.2212000      0.7801000
  1 1 1       7   12    3 o    6.628000      0.1310000       6.597000 0.1826000       6.660000      0.1879000     -0.6278000E-01  0.2621000
  1 1 1       7   12    4 o    15.14000      0.2155000       15.25000 0.3037000       15.04000      0.3059000      0.2165000      0.4310000
  1 1 1       7   12    7 o    14.21000      0.4198000       14.60000 0.3175000       13.82000      0.7772000      0.7795000      0.8395000
  1 1 1       7   12    8 o    22.02000      0.4371000       22.21000 0.6343000       21.83000      0.6015000      0.3805000      0.8742000
  1 1 1       7   12    9 o    22.66000      0.4175000       22.90000 0.6621000       22.42000      0.5088000      0.4768000      0.8351000
  1 1 1       7   12   10 f    15.58000      0.2917000       15.91000 0.4272000       15.26000      0.3972000      0.6512000      0.5834000
  1 1 1       7   12   11 o    11.26000      0.2670000       11.24000 0.3750000       11.27000      0.3801000     -0.2677000E-01  0.5340000
  1 1 1       7   12   12 o    8.635000      0.2306000       8.654000 0.3261000       8.617000      0.3261000      0.3672000E-01  0.4612000
  1 1 1       7   12   13 o    14.85000      0.2639000       14.26000 0.3898000       15.45000      0.3559000      -1.186000      0.5278000
  1 1 1       7   12   14 o    8.458000      0.1979000       8.223000 0.2916000       8.693000      0.2677000     -0.4706000      0.3958000
  1 1 1       7   12   15 o    7.559000      0.1841000       7.388000 0.2707000       7.730000      0.2496000     -0.3422000      0.3682000
  1 1 1       7   12   16 o    8.923000      0.2211000       8.659000 0.3110000       9.188000      0.3143000     -0.5288000      0.4421000
  1 1 1       7   12   17 f    6.014000      0.1904000       5.699000 0.2895000       6.330000      0.2474000     -0.6309000      0.3808000
  1 1 1       7   12   18 o    5.236000      0.1980000       4.993000 0.3008000       5.480000      0.2576000     -0.4871000      0.3960000
  1 1 1       7   12   19 o    3.270000      0.3042000       3.017000 0.4828000       3.523000      0.3702000     -0.5058000      0.6084000
  1 1 1       7   12   20 o    10.19000      0.1884000       10.10000 0.2735000       10.27000      0.2591000     -0.1694000      0.3768000
  1 1 1       7   12   21 o    3.332000      0.2916000       3.230000 0.4371000       3.434000      0.3861000     -0.2035000      0.5832000
  1 1 1       7   12   22 o    11.58000      0.1966000       11.58000 0.2816000       11.57000      0.2744000      0.1288000E-01  0.3932000
  1 1 1       7   12   23 o    5.276000      0.2184000       5.206000 0.3177000       5.346000      0.2997000     -0.1396000      0.4368000
  1 1 1       7   12   24 o    9.143000      0.1906000       9.216000 0.2710000       9.070000      0.2681000      0.1463000      0.3812000
  1 1 1       7   12   25 o    7.544000      0.1961000       7.562000 0.2801000       7.527000      0.2747000      0.3541000E-01  0.3923000
  1 1 1       7   12   26 o    3.654000      0.3176000       3.247000 0.4888000       4.061000      0.4057000     -0.8132000      0.6352000
  1 1 1       7   12   27 o    3.830000      0.3251000       4.160000 0.4148000       3.499000      0.5006000      0.6601000      0.6501000
  1 1 1       7   12   28 o    6.476000      0.2306000       6.386000 0.3307000       6.565000      0.3214000     -0.1789000      0.4612000
  1 1 1       7   12   29 o    2.040000      0.5046000       1.930000 0.7046000       2.149000      0.7224000     -0.2190000       1.009000
  1 1 1       7   12   30 o    3.450000      0.4134000       3.516000 0.5601000       3.384000      0.6081000      0.1314000      0.8268000
  1 1 1       7   12   31 o    2.868000      0.5561000       3.489000 0.7174000       2.248000      0.8498000       1.241000       1.112000
  1 1 1       7   12   32 o    5.778000      0.3770000       5.681000 0.5146000       5.875000      0.5509000     -0.1939000      0.7539000
  1 1 1       7   12   33 o    5.331000      0.3181000       5.254000 0.4313000       5.408000      0.4676000     -0.1537000      0.6362000
  1 1 1       7   12   34 o    2.677000      0.5279000       2.102000 0.7702000       3.252000      0.7221000      -1.150000       1.056000
  1 1 1       7   12   35 o    4.638000      0.5699000       4.185000 0.8696000       5.091000      0.7369000     -0.9062000       1.140000
  1 1 1       7   12   36 o    2.222000      0.5689000       2.298000 0.7929000       2.145000      0.8161000      0.1537000       1.138000
  1 1 1       7   13    0 o    23.95000      0.3279000       24.04000 0.4656000       23.85000      0.4620000      0.1913000      0.6559000
  1 1 1       7   13    1 o    29.85000      0.4041000       30.35000 0.5803000       29.34000      0.5626000       1.010000      0.8082000
  1 1 1       7   13    2 o    39.75000      0.5344000       39.46000 0.7508000       40.05000      0.7608000     -0.5848000       1.069000
  1 1 1       7   13    3 o    5.812000      0.1363000       5.731000 0.1905000       5.893000      0.1950000     -0.1619000      0.2726000
  1 1 1       7   13    4 o    11.55000      0.2127000       11.49000 0.2450000       11.61000      0.3479000     -0.1180000      0.4255000
  1 1 1       7   13    5 o    22.06000      0.3067000       21.74000 0.4242000       22.38000      0.4430000     -0.6443000      0.6134000
  1 1 1       7   13    6 o    8.294000      0.1807000       8.147000 0.2400000       8.441000      0.2701000     -0.2931000      0.3613000
  1 1 1       7   13    7 o    21.49000      0.3262000       21.82000 0.4415000       21.15000      0.4803000      0.6665000      0.6524000
  1 1 1       7   13    8 o    7.901000      0.2576000       7.942000 0.3885000       7.861000      0.3385000      0.8130000E-01  0.5153000
  1 1 1       7   13    9 o    3.492000      0.5576000       3.644000 0.8621000       3.341000      0.7074000      0.3036000       1.115000
  1 1 1       7   13   10 o    13.97000      0.2923000       13.96000 0.4304000       13.98000      0.3956000     -0.2207000E-01  0.5846000
  1 1 1       7   13   11 o    6.147000      0.4077000       6.767000 0.4279000       5.526000      0.6940000       1.241000      0.8153000
  1 1 1       7   13   12 o    19.67000      0.3276000       20.04000 0.4995000       19.30000      0.4241000      0.7325000      0.6553000
  1 1 1       7   13   13 o    5.163000      0.2540000       4.681000 0.3169000       5.644000      0.3969000     -0.9637000      0.5079000
  1 1 1       7   13   14 o    6.535000      0.2200000       6.508000 0.3203000       6.561000      0.3016000     -0.5322000E-01  0.4400000
  1 1 1       7   13   15 o    12.18000      0.3910000       12.67000 0.7201000       11.68000      0.3048000      0.9859000      0.7820000
  1 1 1       7   13   16 o    9.195000      0.2162000       9.149000 0.2888000       9.240000      0.3218000     -0.9109000E-01  0.4324000
  1 1 1       7   13   17 o    2.188000      0.4104000       1.971000 0.6049000       2.404000      0.5547000     -0.4332000      0.8207000
  1 1 1       7   13   18 o    6.573000      0.2982000       6.135000 0.5339000       7.012000      0.2660000     -0.8773000      0.5965000
  1 1 1       7   13   19 o    1.915000      0.4198000       2.231000 0.6093000       1.599000      0.5776000      0.6327000      0.8396000
  1 1 1       7   13   20 o    7.373000      0.1961000       7.041000 0.2946000       7.704000      0.2588000     -0.6623000      0.3921000
  1 1 1       7   13   21 o    2.666000      0.3920000       2.847000 0.5621000       2.486000      0.5466000      0.3617000      0.7840000
  1 1 1       7   13   22 o    6.260000      0.2008000       6.015000 0.2974000       6.505000      0.2699000     -0.4900000      0.4016000
  1 1 1       7   13   23 o    18.40000      0.2700000       18.36000 0.3837000       18.45000      0.3800000     -0.8597000E-01  0.5400000
  1 1 1       7   13   24 o    2.324000      0.4172000       1.690000 0.6501000       2.959000      0.5230000      -1.268000      0.8343000
  1 1 1       7   13   25 f    2.872000      0.4088000       2.932000 0.5942000       2.813000      0.5615000      0.1186000      0.8175000
  1 1 1       7   13   26 o    7.061000      0.2170000       7.025000 0.3178000       7.097000      0.2957000     -0.7175000E-01  0.4341000
  1 1 1       7   13   27 o    3.195000      0.4041000       2.887000 0.6175000       3.503000      0.5213000     -0.6160000      0.8082000
  1 1 1       7   13   28 o    7.429000      0.2219000       7.278000 0.3195000       7.581000      0.3080000     -0.3030000      0.4437000
  1 1 1       7   13   29 o    9.295000      0.2840000       9.188000 0.3904000       9.403000      0.4126000     -0.2147000      0.5680000
  1 1 1       7   13   30 o    1.714000      0.5296000       1.756000 0.7502000       1.672000      0.7476000      0.8385000E-01   1.059000
  1 1 1       7   13   31 o    3.962000      0.4145000       4.012000 0.5942000       3.913000      0.5781000      0.9853000E-01  0.8290000
  1 1 1       7   13   32 o    2.684000      0.5686000       2.906000 0.8029000       2.462000      0.8054000      0.4434000       1.137000
  1 1 1       7   13   33 o    7.499000      0.4536000       6.750000 0.7269000       8.248000      0.5429000      -1.498000      0.9073000
  1 1 1       7   13   34 o    1.703000      0.5584000       1.645000 0.7717000       1.761000      0.8074000     -0.1160000       1.117000
  1 1 1       7   13   35 o    3.542000      0.4903000       3.041000 0.7476000       4.043000      0.6345000      -1.002000      0.9806000
  1 1 1       7   14    0 o    15.89000      0.2274000       16.03000 0.3233000       15.74000      0.3199000      0.2923000      0.4548000
  1 1 1       7   14    1 o    4.812000      0.1495000       4.795000 0.2069000       4.829000      0.2158000     -0.3418000E-01  0.2990000
  1 1 1       7   14    2 f    2.433000      0.2341000       2.265000 0.3365000       2.601000      0.3257000     -0.3358000      0.4683000
  1 1 1       7   14    3 o    16.08000      0.2294000       16.27000 0.3248000       15.89000      0.3239000      0.3779000      0.4587000
  1 1 1       7   14    4 o    6.485000      0.1502000       6.602000 0.2036000       6.368000      0.2207000      0.2343000      0.3003000
  1 1 1       7   14    5 o    15.31000      0.2657000       15.72000 0.3236000       14.90000      0.4216000      0.8192000      0.5314000
  1 1 1       7   14    6 o    4.268000      0.2358000       4.325000 0.3248000       4.211000      0.3419000      0.1142000      0.4716000
  1 1 1       7   14    7 o    13.51000      0.2504000       13.36000 0.3294000       13.65000      0.3773000     -0.2910000      0.5009000
  1 1 1       7   14    8 o    19.22000      0.3298000       19.05000 0.4241000       19.40000      0.5050000     -0.3486000      0.6595000
  1 1 1       7   14    9 o    9.122000      0.2917000       9.353000 0.4308000       8.890000      0.3933000      0.4629000      0.5834000
  1 1 1       7   14   10 o    6.612000      0.3846000       6.059000 0.6143000       7.165000      0.4630000      -1.106000      0.7692000
  1 1 1       7   14   11 o    2.517000      0.8314000       2.517000 0.8314000                  ?              ?              ?              ?
  1 1 1       7   14   12 o    8.318000      0.2903000       8.269000 0.3908000       8.367000      0.4295000     -0.9757000E-01  0.5807000
  1 1 1       7   14   13 o    7.475000      0.3619000                  ?       ?   7.475000      0.3619000                  ?              ?
  1 1 1       7   14   14 o    5.254000      0.2708000       4.809000 0.4031000       5.699000      0.3616000     -0.8897000      0.5416000
  1 1 1       7   14   15 o    7.187000      0.2145000       6.999000 0.3161000       7.375000      0.2901000     -0.3757000      0.4291000
  1 1 1       7   14   16 o    5.769000      0.2247000       6.100000 0.3251000       5.438000      0.3102000      0.6623000      0.4494000
  1 1 1       7   14   17 o    7.409000      0.2085000       7.270000 0.3113000       7.548000      0.2773000     -0.2778000      0.4169000
  1 1 1       7   14   18 o    4.833000      0.2562000       5.018000 0.3780000       4.649000      0.3459000      0.3688000      0.5124000
  1 1 1       7   14   19 o    1.341000      0.4075000       1.276000 0.5783000       1.407000      0.5742000     -0.1310000      0.8149000
  1 1 1       7   14   20 o    3.626000      0.3105000       3.931000 0.4447000       3.321000      0.4334000      0.6099000      0.6209000
  1 1 1       7   14   21 o    7.401000      0.2045000       7.450000 0.3028000       7.353000      0.2749000      0.9699000E-01  0.4090000
  1 1 1       7   14   22 o    7.726000      0.2054000       7.806000 0.3030000       7.647000      0.2775000      0.1592000      0.4108000
  1 1 1       7   14   23 o    11.31000      0.2062000       11.21000 0.2976000       11.40000      0.2855000     -0.1982000      0.4124000
  1 1 1       7   14   24 o    7.862000      0.2092000       7.826000 0.3006000       7.897000      0.2910000     -0.7018000E-01  0.4184000
  1 1 1       7   14   25 o    3.534000      0.3737000       3.049000 0.6020000       4.020000      0.4430000     -0.9706000      0.7474000
  1 1 1       7   14   26 f    1.571000      0.4656000       1.518000 0.6519000       1.623000      0.6649000     -0.1051000      0.9311000
  1 1 1       7   14   27 f    2.340000      0.5374000       2.814000 0.7540000       1.866000      0.7661000      0.9481000       1.075000
  1 1 1       7   14   28 o    7.994000      0.2887000       8.494000 0.3909000       7.494000      0.4250000       1.000000      0.5775000
  1 1 1       7   14   29 o    6.342000      0.2614000       6.724000 0.3730000       5.960000      0.3664000      0.7634000      0.5228000
  1 1 1       7   14   30 o    1.772000      0.5045000       1.537000 0.6816000       2.006000      0.7440000     -0.4688000       1.009000
  1 1 1       7   14   31 o    4.788000      0.6195000       5.363000 0.9347000       4.214000      0.8134000       1.149000       1.239000
  1 1 1       7   14   32 o    4.679000      0.6557000       5.943000 0.8943000       3.414000      0.9591000       2.529000       1.311000
  1 1 1       7   14   33 o    4.421000      0.4065000       4.275000 0.6017000       4.567000      0.5466000     -0.2927000      0.8130000
  1 1 1       7   14   34 o    3.574000      0.4992000       3.657000 0.6799000       3.492000      0.7311000      0.1651000      0.9984000
  1 1 1       7   14   35 o    2.573000      0.5898000       2.293000 0.8153000       2.854000      0.8526000     -0.5611000       1.180000
  1 1 1       7   15    0 o    7.416000      0.1508000       7.539000 0.2113000       7.293000      0.2153000      0.2455000      0.3016000
  1 1 1       7   15    1 o    5.217000      0.1481000       5.156000 0.1950000       5.277000      0.2230000     -0.1206000      0.2962000
  1 1 1       7   15    2 o    2.712000      0.2385000       2.538000 0.3304000       2.886000      0.3440000     -0.3483000      0.4770000
  1 1 1       7   15    3 o    18.01000      0.2545000       17.91000 0.3547000       18.11000      0.3652000     -0.2078000      0.5091000
  1 1 1       7   15    4 o    8.639000      0.2536000       8.350000 0.2246000       8.928000      0.4547000     -0.5785000      0.5071000
  1 1 1       7   15    5 o    7.475000      0.2004000       7.237000 0.2955000       7.713000      0.2706000     -0.4761000      0.4007000
  1 1 1       7   15    6 o    15.40000      0.3039000       15.78000 0.4740000       15.02000      0.3805000      0.7592000      0.6078000
  1 1 1       7   15    7 o    12.48000      0.2546000       11.78000 0.3314000       13.19000      0.3865000      -1.416000      0.5091000
  1 1 1       7   15    8 o    17.95000      0.3825000       18.26000 0.6079000       17.65000      0.4644000      0.6125000      0.7650000
  1 1 1       7   15    9 o    9.913000      0.2947000       10.27000 0.4446000       9.554000      0.3870000      0.7167000      0.5894000
  1 1 1       7   15   10 o    10.91000      0.3040000       11.39000 0.4463000       10.43000      0.4130000      0.9577000      0.6081000
  1 1 1       7   15   11 o    3.910000      0.7437000       3.910000 0.7437000                  ?              ?              ?              ?
  1 1 1       7   15   12 o    11.47000      0.2963000       11.27000 0.4207000       11.66000      0.4174000     -0.3893000      0.5926000
  1 1 1       7   15   13 o    3.399000      0.3986000       2.983000 0.4917000       3.816000      0.6276000     -0.8330000      0.7973000
  1 1 1       7   15   14 o    4.066000      0.3521000       4.187000 0.4883000       3.945000      0.5074000      0.2427000      0.7042000
  1 1 1       7   15   15 o    2.853000      0.4123000       2.351000 0.6337000       3.355000      0.5276000      -1.004000      0.8246000
  1 1 1       7   15   16 o    6.677000      0.2288000       6.091000 0.3341000       7.262000      0.3128000      -1.170000      0.4577000
  1 1 1       7   15   17 o    7.596000      0.2143000       7.524000 0.3189000       7.669000      0.2865000     -0.1449000      0.4287000
  1 1 1       7   15   18 o    3.407000      0.3643000       3.267000 0.5764000       3.546000      0.4457000     -0.2784000      0.7286000
  1 1 1       7   15   19 o    6.905000      0.2252000       6.991000 0.3369000       6.819000      0.2990000      0.1719000      0.4504000
  1 1 1       7   15   20 o    14.01000      0.2296000       13.93000 0.3307000       14.09000      0.3185000     -0.1587000      0.4591000
  1 1 1       7   15   21 o    11.66000      0.2121000       11.69000 0.3098000       11.62000      0.2898000      0.7207000E-01  0.4242000
  1 1 1       7   15   22 o    4.800000      0.2956000       5.100000 0.4350000       4.501000      0.4002000      0.5992000      0.5911000
  1 1 1       7   15   23 o    3.497000      0.3936000       4.048000 0.5132000       2.945000      0.5969000       1.103000      0.7872000
  1 1 1       7   15   24 o    5.808000      0.3442000       5.528000 0.5061000       6.088000      0.4666000     -0.5594000      0.6884000
  1 1 1       7   15   25 o    7.345000      0.2893000       7.539000 0.4092000       7.152000      0.4092000      0.3866000      0.5787000
  1 1 1       7   15   26 o    3.130000      0.4771000       3.664000 0.6840000       2.595000      0.6652000       1.068000      0.9542000
  1 1 1       7   15   27 o    3.480000      0.4282000       3.230000 0.6741000       3.730000      0.5281000     -0.4999000      0.8563000
  1 1 1       7   15   28 o    5.678000      0.3018000       5.076000 0.4724000       6.279000      0.3757000      -1.203000      0.6036000
  1 1 1       7   15   29 o    3.437000      0.6255000       2.305000 0.9820000       4.568000      0.7752000      -2.263000       1.251000
  1 1 1       7   15   30 o    4.757000      0.6473000       4.934000 1.023000       4.581000      0.7938000      0.3529000       1.295000
  1 1 1       7   15   31 o    6.212000      0.3003000       6.091000 0.4423000       6.332000      0.4063000     -0.2412000      0.6006000
  1 1 1       7   15   32 o    6.569000      0.2902000       6.559000 0.4198000       6.580000      0.4008000     -0.2051000E-01  0.5804000
  1 1 1       7   15   33 o    4.498000      0.4185000       4.604000 0.5727000       4.391000      0.6106000      0.2134000      0.8371000
  1 1 1       7   15   34 o    2.570000      0.5784000       2.819000 0.8097000       2.321000      0.8263000      0.4981000       1.157000
  1 1 1       7   15   35 o    2.582000      0.5616000       3.332000 0.7965000       1.833000      0.7919000       1.499000       1.123000
  1 1 1       7   16    0 o    6.154000      0.1487000       6.108000 0.2020000       6.201000      0.2181000     -0.9306000E-01  0.2973000
  1 1 1       7   16    1 o    13.03000      0.1950000       12.89000 0.2715000       13.17000      0.2800000     -0.2779000      0.3900000
  1 1 1       7   16    2 f    9.369000      0.1680000       9.141000 0.2246000       9.596000      0.2498000     -0.4548000      0.3359000
  1 1 1       7   16    3 o    5.617000      0.1696000       5.749000 0.2170000       5.485000      0.2607000      0.2635000      0.3392000
  1 1 1       7   16    4 o    2.097000      0.3687000       1.658000 0.5472000       2.536000      0.4943000     -0.8785000      0.7373000
  1 1 1       7   16    5 f    7.365000      0.1924000       7.350000 0.2590000       7.380000      0.2847000     -0.3023000E-01  0.3849000
  1 1 1       7   16    6 o    5.326000      0.2611000       5.589000 0.3808000       5.062000      0.3573000      0.5270000      0.5222000
  1 1 1       7   16    7 o    14.77000      0.3122000       14.52000 0.4609000       15.01000      0.4211000     -0.4899000      0.6243000
  1 1 1       7   16    8 o    2.646000      0.6364000       2.673000 0.9954000       2.619000      0.7931000      0.5378000E-01   1.273000
  1 1 1       7   16    9 o    9.422000      0.3123000       9.927000 0.4734000       8.916000      0.4076000       1.011000      0.6247000
  1 1 1       7   16   10 o    5.447000      0.5059000       5.050000 0.8162000       5.843000      0.5978000     -0.7934000       1.012000
  1 1 1       7   16   11 o    7.571000      0.3878000       8.031000 0.4732000       7.112000      0.6145000      0.9198000      0.7756000
  1 1 1       7   16   12 o    4.450000      0.5526000       4.513000 0.6839000       4.387000      0.8683000      0.1258000       1.105000
  1 1 1       7   16   13 o    4.585000      0.3847000       5.197000 0.4551000       3.973000      0.6203000       1.224000      0.7693000
  1 1 1       7   16   14 o    5.759000      0.3166000       6.157000 0.4079000       5.360000      0.4844000      0.7971000      0.6333000
  1 1 1       7   16   15 o    9.452000      0.2370000       8.855000 0.3413000       10.05000      0.3290000      -1.194000      0.4740000
  1 1 1       7   16   16 o    3.930000      0.3662000       3.346000 0.5813000       4.515000      0.4456000      -1.169000      0.7324000
  1 1 1       7   16   17 o    2.533000      0.4747000       2.364000 0.7079000       2.703000      0.6328000     -0.3396000      0.9495000
  1 1 1       7   16   18 o    9.745000      0.2234000       9.850000 0.3356000       9.640000      0.2950000      0.2093000      0.4468000
  1 1 1       7   16   19 o    5.494000      0.2741000       5.494000 0.4174000       5.495000      0.3553000     -0.7629000E-03  0.5482000
  1 1 1       7   16   20 o    16.57000      0.2646000       16.51000 0.3843000       16.63000      0.3637000     -0.1163000      0.5291000
  1 1 1       7   16   21 o    3.522000      0.6340000       3.884000 0.9407000       3.160000      0.8503000      0.7240000       1.268000
  1 1 1       7   16   22 o    10.36000      0.3194000       10.77000 0.4764000       9.938000      0.4254000      0.8360000      0.6387000
  1 1 1       7   16   23 o    6.206000      0.3942000       6.108000 0.6114000       6.305000      0.4979000     -0.1970000      0.7885000
  1 1 1       7   16   24 o    6.713000      0.2577000       6.522000 0.3935000       6.904000      0.3329000     -0.3823000      0.5154000
  1 1 1       7   16   25 o    6.525000      0.2600000       6.334000 0.3897000       6.717000      0.3442000     -0.3830000      0.5199000
  1 1 1       7   16   26 o    4.284000      0.5872000       4.178000 0.9530000       4.389000      0.6863000     -0.2110000       1.174000
  1 1 1       7   16   27 o    3.743000      0.6314000       4.453000 0.8939000       3.032000      0.8918000       1.421000       1.263000
  1 1 1       7   16   28 o    3.187000      0.5591000       2.292000 0.7730000       4.081000      0.8080000      -1.788000       1.118000
  1 1 1       7   16   29 o    13.54000      0.2548000       13.15000 0.3684000       13.94000      0.3522000     -0.7900000      0.5096000
  1 1 1       7   16   30 o    8.984000      0.2592000       8.987000 0.3737000       8.980000      0.3594000      0.7738000E-02  0.5185000
  1 1 1       7   16   31 f    7.161000      0.2823000       7.233000 0.4066000       7.088000      0.3917000      0.1442000      0.5646000
  1 1 1       7   16   32 o    2.551000      0.5882000       2.644000 0.8299000       2.458000      0.8337000      0.1862000       1.176000
  1 1 1       7   16   33 o    4.586000      0.4265000       3.923000 0.6690000       5.248000      0.5293000      -1.325000      0.8530000
  1 1 1       7   16   34 o    1.886000      0.5565000       1.576000 0.7206000       2.196000      0.8482000     -0.6202000       1.113000
  1 1 1       7   17    0 o    6.343000      0.1559000       6.405000 0.2122000       6.280000      0.2284000      0.1247000      0.3118000
  1 1 1       7   17    1 o    5.291000      0.1715000       5.229000 0.2213000       5.352000      0.2620000     -0.1225000      0.3429000
  1 1 1       7   17    2 o    4.425000      0.1902000       4.299000 0.2511000       4.551000      0.2856000     -0.2516000      0.3803000
  1 1 1       7   17    3 o    2.501000      0.3165000       2.440000 0.4256000       2.562000      0.4686000     -0.1222000      0.6330000
  1 1 1       7   17    4 o    3.704000      0.2455000       3.756000 0.3212000       3.652000      0.3713000      0.1048000      0.4910000
  1 1 1       7   17    5 o    4.551000      0.2549000       4.610000 0.3465000       4.493000      0.3739000      0.1168000      0.5098000
  1 1 1       7   17    6 o    5.825000      0.2656000       5.792000 0.4021000       5.857000      0.3470000     -0.6549000E-01  0.5311000
  1 1 1       7   17    7 o    5.082000      0.2978000       5.065000 0.4716000       5.100000      0.3638000     -0.3514000E-01  0.5956000
  1 1 1       7   17    8 o    6.650000      0.4459000       7.673000 0.7369000       5.627000      0.5024000       2.046000      0.8919000
  1 1 1       7   17    9 f    4.644000      0.5635000       4.673000 0.9297000       4.614000      0.6369000      0.5848000E-01   1.127000
  1 1 1       7   17   10 o    8.277000      0.3876000       8.175000 0.5860000       8.379000      0.5074000     -0.2040000      0.7751000
  1 1 1       7   17   11 o    7.300000      0.4015000       7.720000 0.4806000       6.881000      0.6433000      0.8387000      0.8030000
  1 1 1       7   17   12 o    4.855000      0.5462000       4.592000 0.7022000       5.118000      0.8367000     -0.5264000       1.092000
  1 1 1       7   17   13 o    2.608000      0.5734000       2.622000 0.7191000       2.594000      0.8934000      0.2834000E-01   1.147000
  1 1 1       7   17   14 o    6.588000      0.2993000       5.834000 0.4258000       7.342000      0.4207000      -1.509000      0.5986000
  1 1 1       7   17   15 o    7.191000      0.2718000       7.725000 0.3822000       6.656000      0.3865000       1.069000      0.5436000
  1 1 1       7   17   16 o    3.742000      0.3717000       3.731000 0.5329000       3.753000      0.5185000     -0.2252000E-01  0.7435000
  1 1 1       7   17   17 o    4.590000       1.082000       4.801000 1.729000       4.378000       1.302000      0.4222000       2.165000
  1 1 1       7   17   18 o    3.027000      0.8770000       3.504000 1.413000       2.549000       1.039000      0.9550000       1.754000
  1 1 1       7   17   19 o    5.349000      0.8070000       6.332000 1.265000       4.365000       1.002000       1.967000       1.614000
  1 1 1       7   17   20 o    11.95000      0.4067000       12.69000 0.7500000       11.22000      0.3151000       1.474000      0.8135000
  1 1 1       7   17   21 o    2.705000      0.5224000       2.515000 0.8009000       2.895000      0.6709000     -0.3801000       1.045000
  1 1 1       7   17   22 o    10.73000      0.2279000       10.58000 0.3398000       10.88000      0.3038000     -0.2938000      0.4559000
  1 1 1       7   17   23 o    5.361000      0.4012000       5.906000 0.5752000       4.816000      0.5596000       1.090000      0.8025000
  1 1 1       7   17   24 o    9.467000      0.3242000       9.552000 0.4857000       9.382000      0.4296000      0.1705000      0.6485000
  1 1 1       7   17   25 o    9.144000      0.3336000       8.793000 0.5116000       9.494000      0.4283000     -0.7009000      0.6673000
  1 1 1       7   17   26 o    2.442000      0.4933000       1.661000 0.7452000       3.222000      0.6467000      -1.561000      0.9867000
  1 1 1       7   17   27 o    6.737000      0.2727000       6.901000 0.4016000       6.573000      0.3689000      0.3273000      0.5453000
  1 1 1       7   17   28 o    1.281000      0.4340000       1.285000 0.6172000       1.278000      0.6103000      0.6353000E-02  0.8680000
  1 1 1       7   17   29 o    8.114000      0.2628000       8.100000 0.3791000       8.128000      0.3640000     -0.2808000E-01  0.5256000
  1 1 1       7   17   30 o    2.108000      0.5672000       2.333000 0.8247000       1.883000      0.7791000      0.4505000       1.134000
  1 1 1       7   17   31 o    3.950000      0.4882000       3.645000 0.7489000       4.254000      0.6265000     -0.6090000      0.9764000
  1 1 1       7   17   32 o    2.892000      0.6169000       2.855000 0.8855000       2.929000      0.8590000     -0.7391000E-01   1.234000
  1 1 1       7   17   33 o    3.651000      0.5316000       2.735000 0.8648000       4.567000      0.6184000      -1.832000       1.063000
  1 1 1       7   17   34 o    1.575000      0.5098000       1.653000 0.7452000       1.497000      0.6959000      0.1557000       1.020000
  1 1 1       7   18    0 o    9.224000      0.1663000       9.052000 0.2274000       9.397000      0.2428000     -0.3455000      0.3327000
  1 1 1       7   18    1 o    12.67000      0.1991000       12.44000 0.2716000       12.90000      0.2913000     -0.4636000      0.3983000
  1 1 1       7   18    2 o    1.798000      0.4027000       1.770000 0.5300000       1.825000      0.6063000     -0.5496000E-01  0.8053000
  1 1 1       7   18    3 f    6.819000      0.1976000       6.772000 0.2584000       6.866000      0.2990000     -0.9346000E-01  0.3952000
  1 1 1       7   18    4 o    11.61000      0.2171000       11.19000 0.2798000       12.03000      0.3321000     -0.8372000      0.4342000
  1 1 1       7   18    5 o    3.043000      0.4059000       3.790000 0.4782000       2.297000      0.6561000       1.493000      0.8119000
  1 1 1       7   18    6 o    2.585000      0.4792000       2.986000 0.6691000       2.184000      0.6862000      0.8017000      0.9584000
  1 1 1       7   18    7 o    5.368000      0.3311000       5.091000 0.5323000       5.646000      0.3938000     -0.5544000      0.6621000
  1 1 1       7   18    8 o    4.381000      0.5750000       4.701000 0.8886000       4.060000      0.7299000      0.6419000       1.150000
  1 1 1       7   18    9 o    2.983000      0.7434000       3.242000 1.136000       2.724000      0.9592000      0.5182000       1.487000
  1 1 1       7   18   10 o    2.905000      0.7020000       3.521000 1.055000       2.290000      0.9265000       1.230000       1.404000
  1 1 1       7   18   11 o    4.086000      0.5785000       3.818000 0.7629000       4.353000      0.8697000     -0.5345000       1.157000
  1 1 1       7   18   12 o    2.367000       1.008000       2.367000 1.008000                  ?              ?              ?              ?
  1 1 1       7   18   16 o    11.62000      0.2747000       10.98000 0.3650000       12.26000      0.4106000      -1.282000      0.5493000
  1 1 1       7   18   17 o    4.812000      0.3320000       4.901000 0.4711000       4.723000      0.4681000      0.1781000      0.6641000
  1 1 1       7   18   18 o    2.228000      0.5400000       2.230000 0.7882000       2.225000      0.7384000      0.5258000E-02   1.080000
  1 1 1       7   18   19 o    11.82000      0.2553000       11.34000 0.3816000       12.29000      0.3392000     -0.9473000      0.5105000
  1 1 1       7   18   20 o    15.84000      0.3459000       15.54000 0.4892000       16.15000      0.4891000     -0.6154000      0.6917000
  1 1 1       7   18   21 o    10.05000      0.2988000       9.609000 0.4365000       10.49000      0.4081000     -0.8851000      0.5976000
  1 1 1       7   18   22 o    8.145000      0.3086000       8.075000 0.4610000       8.214000      0.4102000     -0.1390000      0.6171000
  1 1 1       7   18   23 o    6.506000      0.2792000       6.713000 0.4216000       6.298000      0.3660000      0.4146000      0.5583000
  1 1 1       7   18   24 o    6.707000      0.2750000       6.658000 0.4157000       6.757000      0.3601000     -0.9897000E-01  0.5500000
  1 1 1       7   18   25 o    2.894000      0.5633000       2.812000 0.8508000       2.975000      0.7384000     -0.1625000       1.127000
  1 1 1       7   18   26 o    6.652000      0.2974000       6.641000 0.4572000       6.662000      0.3804000     -0.2079000E-01  0.5947000
  1 1 1       7   18   27 o    4.382000      0.4356000       4.861000 0.5824000       3.903000      0.6481000      0.9582000      0.8713000
  1 1 1       7   18   28 o    1.718000      0.5296000       1.847000 0.7813000       1.589000      0.7152000      0.2576000       1.059000
  1 1 1       7   18   29 o    2.249000      0.5806000       2.324000 0.8429000       2.174000      0.7986000      0.1495000       1.161000
  1 1 1       7   18   30 o    1.912000      0.5339000       1.380000 0.6539000       2.444000      0.8442000      -1.065000       1.068000
  1 1 1       7   18   31 o    2.645000      0.6166000       2.442000 0.8853000       2.848000      0.8585000     -0.4057000       1.233000
  1 1 1       7   18   32 o    3.749000      0.5633000       3.228000 0.8970000       4.269000      0.6815000      -1.041000       1.127000
  1 1 1       7   18   33 o    2.087000      0.6022000       2.244000 0.8714000       1.929000      0.8314000      0.3148000       1.204000
  1 1 1       7   19    0 o    6.556000      0.2303000       6.768000 0.3049000       6.344000      0.3451000      0.4245000      0.4605000
  1 1 1       7   19    1 o    2.359000      0.3929000       3.055000 0.4780000       1.663000      0.6237000       1.392000      0.7858000
  1 1 1       7   19    2 o    4.720000      0.2536000       4.945000 0.3403000       4.495000      0.3762000      0.4497000      0.5072000
  1 1 1       7   19    3 o    13.64000      0.2891000       13.44000 0.4067000       13.84000      0.4110000     -0.3958000      0.5782000
  1 1 1       7   19    4 o    9.864000      0.2423000       9.963000 0.3453000       9.765000      0.3402000      0.1985000      0.4847000
  1 1 1       7   19    5 o    5.925000      0.2717000       5.883000 0.4064000       5.967000      0.3608000     -0.8397000E-01  0.5434000
  1 1 1       7   19    6 o    3.311000      0.4697000       2.898000 0.7876000       3.723000      0.5118000     -0.8245000      0.9393000
  1 1 1       7   19    7 o    5.315000      0.3723000       5.378000 0.5859000       5.252000      0.4595000      0.1268000      0.7446000
  1 1 1       7   19    8 o    2.965000      0.7482000       3.334000 1.193000       2.596000      0.9032000      0.7380000       1.496000
  1 1 1       7   19    9 o    2.471000      0.7491000       2.970000 1.231000       1.973000      0.8539000      0.9978000       1.498000
  1 1 1       7   19   10 o    4.777000      0.5569000       3.965000 0.9059000       5.589000      0.6479000      -1.624000       1.114000
  1 1 1       7   19   11 o    7.600000      0.4177000       6.365000 0.6260000       8.835000      0.5531000      -2.470000      0.8354000
  1 1 1       7   19   12 o    2.121000      0.8722000       2.121000 0.8722000                  ?              ?              ?              ?
  1 1 1       7   19   13 o    4.329000      0.5882000       5.335000 0.6026000       3.322000       1.010000       2.012000       1.176000
  1 1 1       7   19   14 o    7.957000      0.4280000                  ?       ?   7.957000      0.4280000                  ?              ?
  1 1 1       7   19   15 o    4.669000      0.4319000       4.412000 0.6279000       4.927000      0.5932000     -0.5146000      0.8638000
  1 1 1       7   19   16 o    7.239000      0.2946000       7.311000 0.4071000       7.166000      0.4258000      0.1447000      0.5891000
  1 1 1       7   19   17 f    6.615000      0.3025000       6.627000 0.4323000       6.602000      0.4231000      0.2511000E-01  0.6049000
  1 1 1       7   19   18 o    9.182000      0.2870000       8.962000 0.4109000       9.403000      0.4009000     -0.4404000      0.5741000
  1 1 1       7   19   19 o    9.662000      0.2509000       9.753000 0.3801000       9.570000      0.3277000      0.1826000      0.5019000
  1 1 1       7   19   20 o    12.11000      0.2573000       11.67000 0.3807000       12.54000      0.3462000     -0.8746000      0.5146000
  1 1 1       7   19   21 o    3.960000      0.4630000       3.898000 0.7213000       4.022000      0.5806000     -0.1239000      0.9260000
  1 1 1       7   19   22 o    1.524000      0.4923000       1.706000 0.7605000       1.343000      0.6254000      0.3631000      0.9846000
  1 1 1       7   19   23 o    5.731000      0.3291000       6.000000 0.4979000       5.463000      0.4304000      0.5375000      0.6582000
  1 1 1       7   19   24 o    5.369000      0.3763000       4.569000 0.6365000       6.168000      0.4013000      -1.598000      0.7525000
  1 1 1       7   19   25 o    8.104000      0.2698000       7.827000 0.4124000       8.381000      0.3479000     -0.5538000      0.5395000
  1 1 1       7   19   26 o    3.822000      0.5008000       4.623000 0.6461000       3.021000      0.7653000       1.602000       1.002000
  1 1 1       7   19   27 o    1.974000      0.5796000       1.908000 0.8294000       2.041000      0.8099000     -0.1328000       1.159000
  1 1 1       7   19   28 o    2.170000      0.6065000       2.462000 0.9130000       1.878000      0.7986000      0.5841000       1.213000
  1 1 1       7   19   29 o    1.883000      0.5572000       2.396000 0.8983000       1.370000      0.6597000       1.026000       1.114000
  1 1 1       7   19   30 o    2.007000      0.5747000       2.435000 0.8943000       1.578000      0.7218000      0.8564000       1.149000
  1 1 1       7   19   31 o    5.209000      0.4095000       5.264000 0.6146000       5.153000      0.5414000      0.1103000      0.8190000
  1 1 1       7   19   32 o    2.180000      0.5930000       1.769000 0.7993000       2.592000      0.8762000     -0.8227000       1.186000
  1 1 1       7   19   33 o    1.898000      0.5446000       1.182000 0.5919000       2.615000      0.9144000      -1.433000       1.089000
  1 1 1       7   20    0 o    4.563000      0.2102000       4.276000 0.2894000       4.850000      0.3049000     -0.5743000      0.4204000
  1 1 1       7   20    1 o    4.476000      0.2365000       4.151000 0.3227000       4.802000      0.3459000     -0.6509000      0.4730000
  1 1 1       7   20    2 o    1.680000      0.4353000       1.597000 0.5985000       1.762000      0.6323000     -0.1643000      0.8707000
  1 1 1       7   20    3 o    6.051000      0.2120000       5.698000 0.2898000       6.405000      0.3094000     -0.7072000      0.4239000
  1 1 1       7   20    4 o    9.493000      0.2249000       9.515000 0.3013000       9.471000      0.3339000      0.4372000E-01  0.4498000
  1 1 1       7   20    5 o    7.039000      0.2639000       7.251000 0.3751000       6.828000      0.3713000      0.4227000      0.5278000
  1 1 1       7   20    6 o    1.485000      0.4645000       1.529000 0.6801000       1.441000      0.6329000      0.8853000E-01  0.9290000
  1 1 1       7   20    7 f    4.797000      0.3786000       5.529000 0.5131000       4.066000      0.5568000       1.462000      0.7571000
  1 1 1       7   20    8 o    4.290000      0.5436000       4.562000 0.8277000       4.017000      0.7050000      0.5450000       1.087000
  1 1 1       7   20    9 f    4.716000      0.9516000       5.688000 1.179000       3.745000       1.494000       1.943000       1.903000
  1 1 1       7   20   10 o    5.667000       1.012000       6.169000 0.9143000       5.165000       1.807000       1.005000       2.025000
  1 1 1       7   20   11 f    2.627000      0.7372000       2.667000 0.9298000       2.587000       1.144000      0.8000000E-01   1.474000
  1 1 1       7   20   12 o    2.895000       1.061000       2.895000 1.061000                  ?              ?              ?              ?
  1 1 1       7   20   13 o    10.43000      0.3657000       10.80000 0.4747000       10.06000      0.5564000      0.7423000      0.7314000
  1 1 1       7   20   14 o    5.806000      0.3677000       5.323000 0.4639000       6.288000      0.5707000     -0.9654000      0.7355000
  1 1 1       7   20   15 o    2.899000      0.5743000       3.667000 0.7663000       2.131000      0.8556000       1.536000       1.149000
  1 1 1       7   20   16 o    7.212000      0.3070000       6.971000 0.4616000       7.454000      0.4048000     -0.4832000      0.6139000
  1 1 1       7   20   17 o    9.666000      0.2729000       9.707000 0.4088000       9.626000      0.3616000      0.8152000E-01  0.5458000
  1 1 1       7   20   18 o    15.32000      0.3020000       14.82000 0.4464000       15.81000      0.4068000     -0.9903000      0.6039000
  1 1 1       7   20   19 o    10.34000      0.2802000       9.896000 0.4205000       10.78000      0.3705000     -0.8854000      0.5604000
  1 1 1       7   20   20 o    8.436000      0.2912000       8.011000 0.4151000       8.861000      0.4086000     -0.8493000      0.5825000
  1 1 1       7   20   21 o    6.423000      0.3144000       6.321000 0.4824000       6.526000      0.4033000     -0.2047000      0.6288000
  1 1 1       7   20   22 o    6.443000      0.3258000       6.479000 0.5012000       6.407000      0.4165000      0.7291000E-01  0.6516000
  1 1 1       7   20   23 o    9.491000      0.2797000       9.013000 0.4307000       9.968000      0.3569000     -0.9552000      0.5593000
  1 1 1       7   20   24 o    3.633000      0.5265000       3.190000 0.8509000       4.076000      0.6202000     -0.8857000       1.053000
  1 1 1       7   20   25 o    2.183000      0.5850000       1.969000 0.8331000       2.397000      0.8215000     -0.4282000       1.170000
  1 1 1       7   20   26 o    2.333000      0.6000000       2.159000 0.8667000       2.506000      0.8300000     -0.3462000       1.200000
  1 1 1       7   20   27 o    3.332000      0.5846000       3.578000 0.8506000       3.086000      0.8023000      0.4929000       1.169000
  1 1 1       7   20   28 o    1.988000      0.5892000       2.319000 0.9114000       1.657000      0.7470000      0.6617000       1.178000
  1 1 1       7   20   29 o    3.586000      0.6072000       4.024000 0.8473000       3.148000      0.8701000      0.8764000       1.214000
  1 1 1       7   20   30 o    2.550000      0.5776000       1.728000 0.7980000       3.372000      0.8351000      -1.643000       1.155000
  1 1 1       7   20   31 o    2.320000      0.6387000       2.396000 0.9292000       2.244000      0.8767000      0.1517000       1.277000
  1 1 1       7   20   32 o    2.651000      0.5203000       1.441000 0.6930000       3.862000      0.7762000      -2.422000       1.041000
  1 1 1       7   21    0 o    10.06000      0.1905000       10.11000 0.2595000       10.00000      0.2790000      0.1107000      0.3810000
  1 1 1       7   21    1 o    5.989000      0.3948000       5.566000 0.3101000       6.413000      0.7262000     -0.8465000      0.7896000
  1 1 1       7   21    2 o    4.828000      0.7374000       4.926000 0.3249000       4.731000       1.439000      0.1952000       1.475000
  1 1 1       7   21    3 o    6.603000      0.5433000       6.086000 0.2922000       7.121000       1.047000      -1.035000       1.087000
  1 1 1       7   21    4 o    10.54000      0.3240000       10.54000 0.3240000                  ?              ?              ?              ?
  1 1 1       7   21    5 o    8.908000      0.2623000       9.134000 0.3692000       8.682000      0.3726000      0.4513000      0.5246000
  1 1 1       7   21    6 o    2.583000      0.5387000       2.679000 0.7921000       2.487000      0.7304000      0.1924000       1.077000
  1 1 1       7   21    7 o    7.147000      0.3401000       6.904000 0.5289000       7.390000      0.4277000     -0.4867000      0.6802000
  1 1 1       7   21    8 o    8.360000      0.3768000       8.099000 0.5946000       8.621000      0.4631000     -0.5213000      0.7536000
  1 1 1       7   21    9 o    3.480000      0.7627000       3.748000 1.175000       3.211000      0.9724000      0.5361000       1.525000
  1 1 1       7   21   10 o    2.784000      0.7023000       2.371000 1.028000       3.197000      0.9574000     -0.8268000       1.405000
  1 1 1       7   21   11 o    4.721000      0.6864000       4.780000 0.8467000       4.661000       1.080000      0.1195000       1.373000
  1 1 1       7   21   12 o    7.375000      0.4894000       7.379000 0.6454000       7.372000      0.7359000      0.6884000E-02  0.9788000
  1 1 1       7   21   13 o    3.797000      0.6507000       4.486000 0.8217000       3.108000       1.009000       1.378000       1.301000
  1 1 1       7   21   14 o    2.123000      0.6169000       2.128000 0.8581000       2.119000      0.8864000      0.8527000E-02   1.234000
  1 1 1       7   21   15 o    2.351000      0.6549000       2.586000 0.9515000       2.117000      0.9000000      0.4684000       1.310000
  1 1 1       7   21   16 o    5.070000      0.4028000       5.254000 0.5801000       4.887000      0.5592000      0.3664000      0.8057000
  1 1 1       7   21   17 o    4.813000      0.3972000       5.015000 0.5511000       4.611000      0.5721000      0.4040000      0.7944000
  1 1 1       7   21   18 o    4.657000      0.4312000       4.847000 0.6121000       4.468000      0.6074000      0.3782000      0.8623000
  1 1 1       7   21   19 o    3.902000      0.4685000       3.842000 0.7038000       3.963000      0.6185000     -0.1210000      0.9369000
  1 1 1       7   21   20 o    1.751000      0.5339000       1.853000 0.7965000       1.648000      0.7111000      0.2059000       1.068000
  1 1 1       7   21   21 o    6.302000      0.3308000       6.018000 0.5250000       6.586000      0.4024000     -0.5676000      0.6615000
  1 1 1       7   21   22 o    7.446000      0.3149000       7.590000 0.4797000       7.301000      0.4081000      0.2894000      0.6298000
  1 1 1       7   21   23 o    7.488000      0.3047000       7.369000 0.4581000       7.606000      0.4019000     -0.2370000      0.6094000
  1 1 1       7   21   24 o    5.807000      0.3668000       5.848000 0.5530000       5.766000      0.4821000      0.8197000E-01  0.7337000
  1 1 1       7   21   25 o    4.635000      0.4821000       4.171000 0.7834000       5.099000      0.5619000     -0.9280000      0.9641000
  1 1 1       7   21   26 o    3.090000      0.6035000       2.698000 0.9407000       3.482000      0.7563000     -0.7846000       1.207000
  1 1 1       7   21   27 o    2.945000      0.6291000       3.441000 0.9263000       2.449000      0.8516000      0.9927000       1.258000
  1 1 1       7   21   28 o    1.861000      0.5642000       1.567000 0.7452000       2.154000      0.8472000     -0.5871000       1.128000
  1 1 1       7   21   29 o    5.994000      0.4149000       5.524000 0.6637000       6.464000      0.4980000     -0.9397000      0.8297000
  1 1 1       7   21   30 o    4.802000      0.5053000       4.389000 0.8147000       5.215000      0.5978000     -0.8265000       1.011000
  1 1 1       7   21   31 o    2.940000      0.6633000       2.692000 0.9584000       3.187000      0.9172000     -0.4943000       1.327000
  1 1 1       7   22    0 o    7.127000      0.2090000       7.309000 0.2609000       6.944000      0.3267000      0.3658000      0.4181000
  1 1 1       7   22    1 o    1.689000      0.4524000       1.335000 0.5667000       2.044000      0.7052000     -0.7095000      0.9047000
  1 1 1       7   22    2 f    1.540000      0.4409000       1.599000 0.6219000       1.481000      0.6253000      0.1183000      0.8819000
  1 1 1       7   22    3 o    4.343000      0.2979000       4.429000 0.3946000       4.257000      0.4464000      0.1720000      0.5958000
  1 1 1       7   22    4 o    2.887000      0.4880000       3.194000 0.6535000       2.581000      0.7250000      0.6132000      0.9760000
  1 1 1       7   22    5 o    2.969000      0.5103000       3.508000 0.6805000       2.430000      0.7606000       1.079000       1.021000
  1 1 1       7   22    6 o    5.702000      0.3145000       5.672000 0.4737000       5.733000      0.4139000     -0.6165000E-01  0.6291000
  1 1 1       7   22    7 o    4.316000      0.4785000       5.506000 0.5587000       3.126000      0.7771000       2.381000      0.9571000
  1 1 1       7   22    8 o    5.376000      0.5250000       5.603000 0.8238000       5.149000      0.6508000      0.4542000       1.050000
  1 1 1       7   22    9 o    3.425000      0.7444000       3.956000 1.137000       2.894000      0.9617000       1.062000       1.489000
  1 1 1       7   22   10 o    4.191000      0.7213000       4.056000 1.054000       4.325000      0.9845000     -0.2692000       1.443000
  1 1 1       7   22   11 o    10.15000      0.3651000       10.38000 0.4986000       9.915000      0.5333000      0.4634000      0.7301000
  1 1 1       7   22   12 o    11.64000      0.4463000       11.70000 0.5205000       11.59000      0.7251000      0.1076000      0.8925000
  1 1 1       7   22   13 o    2.526000      0.9026000       3.322000 1.596000       1.729000      0.8436000       1.593000       1.805000
  1 1 1       7   22   14 o    5.155000      0.5056000       4.293000 0.7805000       6.017000      0.6429000      -1.724000       1.011000
  1 1 1       7   22   15 o    8.167000      0.3486000       7.665000 0.5034000       8.669000      0.4822000      -1.004000      0.6971000
  1 1 1       7   22   16 o    4.050000      0.5667000       3.750000 0.8252000       4.349000      0.7768000     -0.5998000       1.133000
  1 1 1       7   22   17 o    2.285000      0.6032000       2.154000 0.8525000       2.415000      0.8536000     -0.2605000       1.206000
  1 1 1       7   22   18 o    2.200000      0.5719000       2.646000 0.8490000       1.754000      0.7665000      0.8916000       1.144000
  1 1 1       7   22   19 o    2.466000      0.5893000       2.909000 0.8585000       2.023000      0.8075000      0.8864000       1.179000
  1 1 1       7   22   20 f    8.027000      0.2969000       7.609000 0.4449000       8.444000      0.3932000     -0.8348000      0.5938000
  1 1 1       7   22   21 o    8.057000      0.2976000       7.859000 0.4470000       8.255000      0.3930000     -0.3963000      0.5952000
  1 1 1       7   22   22 o    5.989000      0.3562000       5.592000 0.5551000       6.385000      0.4464000     -0.7931000      0.7123000
  1 1 1       7   22   23 o    2.495000      0.5649000       3.519000 0.8997000       1.471000      0.6835000       2.048000       1.130000
  1 1 1       7   22   24 o    2.112000      0.6133000       2.342000 0.9350000       1.881000      0.7939000      0.4610000       1.227000
  1 1 1       7   22   25 o    4.987000      0.4955000       4.797000 0.7821000       5.178000      0.6086000     -0.3808000      0.9910000
  1 1 1       7   22   26 o    4.134000      0.5895000       3.607000 0.9660000       4.662000      0.6762000      -1.056000       1.179000
  1 1 1       7   22   27 o    2.049000      0.5922000       1.631000 0.7756000       2.467000      0.8950000     -0.8361000       1.184000
  1 1 1       7   22   28 o    2.743000      0.6700000       2.902000 0.9900000       2.584000      0.9031000      0.3173000       1.340000
  1 1 1       7   22   29 o    4.666000      0.5445000       5.306000 0.7382000       4.027000      0.8007000       1.278000       1.089000
  1 1 1       7   22   30 o    2.200000      0.6447000       2.000000 0.8906000       2.401000      0.9324000     -0.4011000       1.289000
  1 1 1       7   22   31 o    2.857000       1.078000       2.857000 1.078000                  ?              ?              ?              ?
  1 1 1       7   23    0 o    9.451000      0.2208000       9.244000 0.2874000       9.658000      0.3353000     -0.4142000      0.4416000
  1 1 1       7   23    1 o    7.219000      0.2319000       7.878000 0.2968000       6.559000      0.3565000       1.319000      0.4638000
  1 1 1       7   23    2 o    4.021000      0.3327000       4.393000 0.3988000       3.650000      0.5326000      0.7430000      0.6654000
  1 1 1       7   23    3 o    1.630000      0.4738000       1.370000 0.6022000       1.890000      0.7317000     -0.5205000      0.9476000
  1 1 1       7   23    4 o    1.683000      0.5116000       1.514000 0.6821000       1.853000      0.7627000     -0.3397000       1.023000
  1 1 1       7   23    5 o    7.449000      0.3122000       7.169000 0.4737000       7.730000      0.4069000     -0.5608000      0.6245000
  1 1 1       7   23    6 o    2.944000      0.5433000       3.728000 0.7567000       2.161000      0.7798000       1.568000       1.087000
  1 1 1       7   23    7 f    7.541000      0.3316000       7.430000 0.4912000       7.652000      0.4457000     -0.2220000      0.6632000
  1 1 1       7   23    8 o    2.532000      0.7144000       2.800000 1.101000       2.265000      0.9103000      0.5354000       1.429000
  1 1 1       7   23    9 o    2.845000      0.7783000       2.797000 1.145000       2.894000       1.055000     -0.9765000E-01   1.557000
  1 1 1       7   23   10 o    2.667000      0.7491000       3.043000 1.118000       2.292000      0.9978000      0.7508000       1.498000
  1 1 1       7   23   11 o    7.569000      0.4795000       7.090000 0.6911000       8.048000      0.6647000     -0.9587000      0.9589000
  1 1 1       7   23   12 f    4.227000      0.8119000       4.534000 1.045000       3.920000       1.242000      0.6139000       1.624000
  1 1 1       7   23   13 o    7.825000      0.5833000       7.825000 0.5833000                  ?              ?              ?              ?
  1 1 1       7   23   14 o    3.308000      0.6763000       2.990000 0.9239000       3.625000      0.9881000     -0.6353000       1.353000
  1 1 1       7   23   15 o    3.599000      0.7088000       2.566000 1.148000       4.631000      0.8312000      -2.065000       1.418000
  1 1 1       7   23   16 o    6.385000      0.4461000       5.650000 0.6780000       7.119000      0.5799000      -1.469000      0.8921000
  1 1 1       7   23   17 o    3.132000      0.5740000       2.619000 0.8541000       3.645000      0.7670000      -1.026000       1.148000
  1 1 1       7   23   18 f    2.456000      0.6055000       2.215000 0.8514000       2.697000      0.8611000     -0.4820000       1.211000
  1 1 1       7   23   19 o    2.230000      0.6016000       1.976000 0.8318000       2.484000      0.8693000     -0.5085000       1.203000
  1 1 1       7   23   20 o    8.245000      0.3313000       8.356000 0.5108000       8.134000      0.4219000      0.2219000      0.6625000
  1 1 1       7   23   21 o    4.281000      0.5048000       3.923000 0.8182000       4.638000      0.5913000     -0.7149000       1.010000
  1 1 1       7   23   22 o    2.242000      0.5926000       1.906000 0.8331000       2.579000      0.8430000     -0.6733000       1.185000
  1 1 1       7   23   23 o    1.961000      0.5917000       2.210000 0.9088000       1.712000      0.7581000      0.4981000       1.183000
  1 1 1       7   23   24 o    4.891000      0.5058000       4.814000 0.7988000       4.968000      0.6208000     -0.1547000       1.012000
  1 1 1       7   23   25 o    3.560000      0.6595000       3.906000 0.9405000       3.214000      0.9249000      0.6915000       1.319000
  1 1 1       7   23   26 o    3.014000      0.5731000       1.820000 0.8450000       4.208000      0.7743000      -2.388000       1.146000
  1 1 1       7   23   27 o    5.285000      0.5233000       5.354000 0.8084000       5.216000      0.6647000      0.1380000       1.047000
  1 1 1       7   23   28 o    2.282000      0.7187000       1.634000 0.7786000       2.931000       1.208000      -1.296000       1.437000
  1 1 1       7   23   29 f    4.215000      0.8507000       4.504000 1.171000       3.926000       1.234000      0.5777000       1.701000
  1 1 1       7   23   30 o    2.503000      0.7752000       2.591000 1.117000       2.414000       1.076000      0.1775000       1.550000
  1 1 1       7   24    0 o    10.12000      0.2311000       10.18000 0.3062000       10.07000      0.3462000      0.1041000      0.4622000
  1 1 1       7   24    1 o    5.979000      0.2663000       5.694000 0.3671000       6.265000      0.3858000     -0.5714000      0.5326000
  1 1 1       7   24    2 o    3.402000      0.4459000       2.866000 0.6729000       3.939000      0.5852000      -1.073000      0.8918000
  1 1 1       7   24    3 o    6.106000      0.2917000       6.406000 0.3847000       5.807000      0.4387000      0.5991000      0.5835000
  1 1 1       7   24    4 o    2.376000      0.5745000       2.540000 0.8090000       2.212000      0.8160000      0.3287000       1.149000
  1 1 1       7   24    5 o    7.493000      0.3213000       8.044000 0.4471000       6.942000      0.4617000       1.102000      0.6427000
  1 1 1       7   24    6 o    15.96000      0.3255000       15.78000 0.4246000       16.14000      0.4936000     -0.3551000      0.6511000
  1 1 1       7   24    7 o    5.245000      0.4619000       5.288000 0.6947000       5.201000      0.6091000      0.8723000E-01  0.9239000
  1 1 1       7   24    8 o    3.252000      0.7233000       2.991000 1.105000       3.512000      0.9330000     -0.5213000       1.447000
  1 1 1       7   24    9 o    2.906000      0.7960000       2.726000 1.152000       3.086000       1.099000     -0.3596000       1.592000
  1 1 1       7   24   10 o    5.496000      0.6140000       6.679000 0.7497000       4.313000      0.9725000       2.367000       1.228000
  1 1 1       7   24   11 o    7.880000      0.4435000       7.707000 0.6128000       8.052000      0.6413000     -0.3455000      0.8870000
  1 1 1       7   24   12 o    3.792000      0.8315000       2.594000 1.035000       4.990000       1.301000      -2.396000       1.663000
  1 1 1       7   24   14 o    4.816000      0.5498000       4.312000 0.7467000       5.319000      0.8072000      -1.007000       1.100000
  1 1 1       7   24   15 o    4.716000      0.8773000                  ?       ?   4.716000      0.8773000                  ?              ?
  1 1 1       7   24   16 o    3.062000      0.6567000       2.299000 0.8866000       3.825000      0.9689000      -1.526000       1.313000
  1 1 1       7   24   17 o    2.295000      0.6085000       1.793000 0.7938000       2.797000      0.9225000      -1.004000       1.217000
  1 1 1       7   24   18 f    5.757000      0.4125000       6.074000 0.6133000       5.441000      0.5517000      0.6331000      0.8249000
  1 1 1       7   24   19 o    5.383000      0.4262000       5.209000 0.6288000       5.558000      0.5757000     -0.3496000      0.8525000
  1 1 1       7   24   20 o    4.598000      0.7934000       3.822000 0.8718000       5.373000       1.326000      -1.551000       1.587000
  1 1 1       7   24   21 o    2.064000      0.6096000       1.937000 0.8640000       2.191000      0.8601000     -0.2538000       1.219000
  1 1 1       7   24   22 o    2.937000      0.6244000       2.232000 0.9342000       3.642000      0.8288000      -1.410000       1.249000
  1 1 1       7   24   23 o    4.226000      0.5795000       4.122000 0.9080000       4.330000      0.7201000     -0.2088000       1.159000
  1 1 1       7   24   24 o    3.125000      0.6555000       2.561000 0.9985000       3.688000      0.8496000      -1.127000       1.311000
  1 1 1       7   24   25 o    2.495000      0.7961000       2.142000 1.025000       2.848000       1.218000     -0.7065000       1.592000
  1 1 1       7   24   26 o    4.600000      0.8864000       3.522000 1.326000       5.678000       1.176000      -2.156000       1.773000
  1 1 1       7   24   27 o    3.572000      0.9246000       3.015000 1.292000       4.129000       1.323000      -1.113000       1.849000
  1 1 1       7   24   28 o    2.543000      0.6937000       2.354000 0.9946000       2.732000      0.9672000     -0.3778000       1.387000
  1 1 1       7   24   29 o    1.934000      0.6169000       1.837000 0.8540000       2.032000      0.8905000     -0.1953000       1.234000
  1 1 1       7   25    0 o    8.088000      0.2538000       8.130000 0.3232000       8.047000      0.3914000      0.8322000E-01  0.5076000
  1 1 1       7   25    1 o    4.590000      0.3528000       4.668000 0.4455000       4.512000      0.5471000      0.1560000      0.7055000
  1 1 1       7   25    2 f    2.050000      0.5102000       2.158000 0.7089000       1.942000      0.7339000      0.2167000       1.020000
  1 1 1       7   25    3 o    3.492000      0.4748000       3.582000 0.6277000       3.402000      0.7126000      0.1809000      0.9496000
  1 1 1       7   25    4 f    3.416000      0.5199000       3.521000 0.7494000       3.311000      0.7209000      0.2104000       1.040000
  1 1 1       7   25    5 o    9.210000      0.3092000       9.346000 0.4532000       9.074000      0.4207000      0.2715000      0.6184000
  1 1 1       7   25    6 o    6.924000      0.3445000       7.296000 0.5158000       6.551000      0.4568000      0.7447000      0.6890000
  1 1 1       7   25    7 o    4.565000      0.5653000       3.817000 0.9346000       5.312000      0.6361000      -1.495000       1.131000
  1 1 1       7   25    8 f    9.147000      0.5495000       8.705000 0.9675000       9.588000      0.5212000     -0.8836000       1.099000
  1 1 1       7   25    9 o    11.01000      0.3862000       11.53000 0.5618000       10.49000      0.5300000       1.045000      0.7724000
  1 1 1       7   25   10 o    2.455000      0.7444000       2.511000 1.073000       2.399000       1.032000      0.1125000       1.489000
  1 1 1       7   25   11 o    3.142000      0.7670000       3.235000 1.066000       3.050000       1.103000      0.1844000       1.534000
  1 1 1       7   25   12 o    4.058000      0.8151000       3.107000 1.112000       5.008000       1.192000      -1.902000       1.630000
  1 1 1       7   25   13 o    3.854000       1.014000       3.854000 1.014000                  ?              ?              ?              ?
  1 1 1       7   25   14 o    8.962000      0.3879000       9.062000 0.5346000       8.863000      0.5622000      0.1987000      0.7758000
  1 1 1       7   25   15 o    4.507000      0.5795000       4.919000 0.6614000       4.095000      0.9517000      0.8238000       1.159000
  1 1 1       7   25   16 o    6.479000      0.7153000       7.168000 0.5329000       5.791000       1.328000       1.376000       1.431000
  1 1 1       7   25   17 o    3.100000      0.7084000       3.167000 1.021000       3.033000      0.9827000      0.1348000       1.417000
  1 1 1       7   25   18 o    4.497000      0.5339000       3.544000 0.8761000       5.450000      0.6106000      -1.906000       1.068000
  1 1 1       7   25   19 o    4.356000      0.5569000       4.942000 0.6934000       3.770000      0.8716000       1.172000       1.114000
  1 1 1       7   25   20 o    3.531000      0.6472000       3.688000 0.9577000       3.375000      0.8709000      0.3129000       1.294000
  1 1 1       7   25   21 o    2.975000      0.7780000       2.841000 0.8858000       3.110000       1.279000     -0.2693000       1.556000
  1 1 1       7   25   22 o    2.974000      0.8807000       2.527000 1.151000       3.420000       1.333000     -0.8928000       1.761000
  1 1 1       7   25   23 o    2.277000       1.085000       2.277000 1.085000                  ?              ?              ?              ?
  1 1 1       7   25   24 f    2.106000      0.6202000       2.569000 0.9757000       1.643000      0.7658000      0.9261000       1.240000
  1 1 1       7   25   25 o    3.556000      0.6303000       2.453000 0.9974000       4.658000      0.7709000      -2.205000       1.261000
  1 1 1       7   25   26 o    3.874000      0.6697000       3.084000 1.071000       4.664000      0.8045000      -1.579000       1.339000
  1 1 1       7   25   27 o    2.891000      0.7779000       2.714000 1.128000       3.067000       1.072000     -0.3536000       1.556000
  1 1 1       7   25   28 o    3.654000      0.8126000       3.545000 1.210000       3.763000       1.084000     -0.2183000       1.625000
  1 1 1       7   26    0 o    9.187000      0.2562000       9.308000 0.3355000       9.066000      0.3874000      0.2421000      0.5124000
  1 1 1       7   26    1 o    7.786000      0.2709000       7.964000 0.3499000       7.607000      0.4138000      0.3572000      0.5419000
  1 1 1       7   26    2 o    2.432000      0.5676000       2.575000 0.7817000       2.289000      0.8233000      0.2860000       1.135000
  1 1 1       7   26    3 o    3.752000      0.4890000       4.019000 0.6212000       3.486000      0.7553000      0.5339000      0.9779000
  1 1 1       7   26    4 o    7.129000      0.3369000       7.137000 0.4696000       7.120000      0.4831000      0.1703000E-01  0.6737000
  1 1 1       7   26    5 o    2.246000      0.6185000       2.266000 0.8912000       2.226000      0.8577000      0.4050000E-01   1.237000
  1 1 1       7   26    6 o    2.416000      0.6102000       2.251000 0.8762000       2.582000      0.8494000     -0.3311000       1.220000
  1 1 1       7   26    7 o    2.405000      0.6563000       2.463000 0.9446000       2.346000      0.9115000      0.1168000       1.313000
  1 1 1       7   26    8 o    4.135000      0.7477000       3.840000 1.152000       4.429000      0.9535000     -0.5886000       1.495000
  1 1 1       7   26    9 o    2.861000      0.7611000       2.413000 1.072000       3.309000       1.080000     -0.8961000       1.522000
  1 1 1       7   26   10 o    6.678000      0.4887000       7.284000 0.6759000       6.073000      0.7062000       1.211000      0.9775000
  1 1 1       7   26   11 o    2.889000      0.7653000       3.028000 1.095000       2.750000       1.069000      0.2771000       1.531000
  1 1 1       7   26   12 o    3.715000      0.7745000       4.220000 1.024000       3.210000       1.162000       1.010000       1.549000
  1 1 1       7   26   13 o    3.333000      0.6589000       4.638000 0.9235000       2.027000      0.9402000       2.611000       1.318000
  1 1 1       7   26   14 o    2.186000      0.6642000       2.213000 0.9161000       2.159000      0.9620000      0.5409000E-01   1.328000
  1 1 1       7   26   15 o    4.120000      0.6862000       3.380000 1.041000       4.859000      0.8948000      -1.479000       1.372000
  1 1 1       7   26   16 o    3.311000      0.6278000       2.624000 0.9737000       3.999000      0.7927000      -1.376000       1.256000
  1 1 1       7   26   17 o    4.188000      0.9649000       4.871000 1.331000       3.504000       1.397000       1.367000       1.930000
  1 1 1       7   26   18 o    3.607000      0.9569000       4.119000 1.401000       3.095000       1.304000       1.024000       1.914000
  1 1 1       7   26   19 o    3.544000      0.9436000       3.493000 1.332000       3.595000       1.337000     -0.1020000       1.887000
  1 1 1       7   26   20 o    2.016000      0.6090000       1.623000 0.7695000       2.409000      0.9443000     -0.7855000       1.218000
  1 1 1       7   26   21 o    4.718000      0.5633000       4.378000 0.8982000       5.059000      0.6802000     -0.6813000       1.127000
  1 1 1       7   26   22 o    3.233000      0.6474000       2.507000 0.9896000       3.960000      0.8349000      -1.453000       1.295000
  1 1 1       7   26   23 o    2.404000      0.6739000       2.309000 0.9591000       2.500000      0.9470000     -0.1909000       1.348000
  1 1 1       7   26   24 o    2.631000      0.7541000       2.589000 1.101000       2.672000       1.031000     -0.8295000E-01   1.508000
  1 1 1       7   26   25 o    3.024000      0.8035000       3.222000 1.194000       2.826000       1.075000      0.3962000       1.607000
  1 1 1       7   26   26 o    3.235000      0.6785000       3.874000 0.9748000       2.596000      0.9440000       1.277000       1.357000
  1 1 1       7   26   27 o    2.004000      0.6420000       2.248000 0.9857000       1.760000      0.8227000      0.4889000       1.284000
  1 1 1       7   27    0 o    6.281000      0.3199000       6.908000 0.3822000       5.655000      0.5132000       1.253000      0.6399000
  1 1 1       7   27    1 o    3.397000      0.4900000       4.013000 0.5605000       2.781000      0.8039000       1.232000      0.9800000
  1 1 1       7   27    2 o    5.415000      0.3545000       5.636000 0.4650000       5.194000      0.5353000      0.4417000      0.7090000
  1 1 1       7   27    3 o    7.287000      0.3107000       7.185000 0.4326000       7.389000      0.4461000     -0.2033000      0.6214000
  1 1 1       7   27    4 o    9.068000      0.3255000       9.600000 0.4493000       8.537000      0.4710000       1.062000      0.6509000
  1 1 1       7   27    5 o    5.879000      0.4294000       6.526000 0.6091000       5.233000      0.6055000       1.293000      0.8589000
  1 1 1       7   27    6 o    4.493000      0.4973000       4.956000 0.7171000       4.030000      0.6891000      0.9258000      0.9945000
  1 1 1       7   27    7 o    1.707000      0.5579000       1.732000 0.8101000       1.682000      0.7672000      0.5026000E-01   1.116000
  1 1 1       7   27    8 o    2.651000      0.7537000       3.569000 1.267000       1.733000      0.8171000       1.836000       1.507000
  1 1 1       7   27    9 o    2.691000      0.7778000       3.136000 1.217000       2.245000      0.9683000      0.8910000       1.556000
  1 1 1       7   27   10 o    3.892000      0.9297000       4.702000 1.433000       3.082000       1.185000       1.620000       1.859000
  1 1 1       7   27   11 f    3.653000      0.9206000       3.886000 1.394000       3.419000       1.203000      0.4666000       1.841000
  1 1 1       7   27   12 o    4.969000      0.8640000       4.317000 1.359000       5.620000       1.067000      -1.303000       1.728000
  1 1 1       7   27   13 o    4.161000       1.008000       4.374000 1.400000       3.948000       1.449000      0.4255000       2.015000
  1 1 1       7   27   14 o    5.032000      0.9415000       3.659000 1.347000       6.405000       1.316000      -2.746000       1.883000
  1 1 1       7   27   15 o    3.418000      0.6987000       3.326000 0.9354000       3.511000       1.038000     -0.1845000       1.397000
  1 1 1       7   27   16 o    2.841000      0.7502000       2.840000 1.032000       2.842000       1.089000     -0.1265000E-02   1.500000
  1 1 1       7   27   17 o    2.708000      0.6887000       2.384000 0.9842000       3.033000      0.9636000     -0.6489000       1.377000
  1 1 1       7   27   18 o    4.604000      0.6118000       4.924000 0.9008000       4.285000      0.8282000      0.6390000       1.224000
  1 1 1       7   27   19 o    2.648000      0.6901000       2.548000 0.9620000       2.747000      0.9896000     -0.1995000       1.380000
  1 1 1       7   27   20 o    2.874000      0.7435000       3.143000 1.101000       2.605000      0.9992000      0.5384000       1.487000
  1 1 1       7   27   21 o    4.722000      0.6709000       4.862000 1.003000       4.582000      0.8916000      0.2803000       1.342000
  1 1 1       7   27   22 o    2.092000      0.6622000       1.987000 0.9341000       2.196000      0.9387000     -0.2086000       1.324000
  1 1 1       7   27   23 o    2.002000      0.6380000       2.255000 0.9807000       1.749000      0.8164000      0.5058000       1.276000
  1 1 1       7   27   24 o    2.642000      0.7187000       2.499000 1.019000       2.785000       1.014000     -0.2858000       1.437000
  1 1 1       7   27   25 o    2.259000      0.6879000       2.565000 1.046000       1.953000      0.8934000      0.6114000       1.376000
  1 1 1       7   27   26 o    2.126000      0.6931000       2.521000 1.116000       1.731000      0.8215000      0.7900000       1.386000
  1 1 1       7   28    0 o    7.330000      0.3167000       7.663000 0.4175000       6.997000      0.4764000      0.6666000      0.6334000
  1 1 1       7   28    1 o    4.588000      0.4668000       4.492000 0.6239000       4.684000      0.6945000     -0.1918000      0.9336000
  1 1 1       7   28    2 o    3.729000      0.5434000       3.881000 0.6570000       3.577000      0.8656000      0.3040000       1.087000
  1 1 1       7   28    3 o    2.801000      0.5693000       3.565000 0.7644000       2.037000      0.8438000       1.528000       1.139000
  1 1 1       7   28    4 o    5.743000      0.4751000       6.359000 0.6225000       5.126000      0.7179000       1.233000      0.9502000
  1 1 1       7   28    5 o    3.805000      0.7111000       4.086000 1.004000       3.524000       1.008000      0.5621000       1.422000
  1 1 1       7   28    6 o    3.758000      0.6763000       3.957000 0.9247000       3.559000      0.9871000      0.3976000       1.353000
  1 1 1       7   28    7 o    2.646000      0.6566000       2.506000 0.9542000       2.786000      0.9022000     -0.2800000       1.313000
  1 1 1       7   28    8 o    2.649000      0.7202000       3.111000 1.101000       2.186000      0.9287000      0.9249000       1.440000
  1 1 1       7   28    9 o    2.819000      0.7836000       2.863000 1.151000       2.775000       1.063000      0.8734000E-01   1.567000
  1 1 1       7   28   10 o    2.602000      0.7306000       2.180000 0.9823000       3.024000       1.082000     -0.8436000       1.461000
  1 1 1       7   28   11 o    2.665000      0.7268000       3.006000 1.071000       2.323000      0.9829000      0.6823000       1.454000
  1 1 1       7   28   12 o    2.482000      0.6794000       1.744000 0.8254000       3.221000       1.079000      -1.477000       1.359000
  1 1 1       7   28   13 o    4.186000      0.7316000       4.482000 0.9872000       3.890000       1.080000      0.5914000       1.463000
  1 1 1       7   28   14 o    4.373000      0.8205000       3.662000 1.070000       5.085000       1.244000      -1.423000       1.641000
  1 1 1       7   28   15 o    3.639000      0.7892000       4.088000 1.072000       3.190000       1.159000      0.8977000       1.578000
  1 1 1       7   28   16 o    4.699000       1.144000                  ?       ?   4.699000       1.144000                  ?              ?
  1 1 1       7   28   17 o    4.588000      0.7095000       4.414000 1.023000       4.762000      0.9832000     -0.3481000       1.419000
  1 1 1       7   28   18 o    1.933000      0.6224000       1.975000 0.8801000       1.891000      0.8803000      0.8437000E-01   1.245000
  1 1 1       7   28   19 o    2.164000      0.6795000       2.485000 1.058000       1.844000      0.8529000      0.6408000       1.359000
  1 1 1       7   28   20 o    3.723000      0.7309000       3.461000 1.079000       3.985000      0.9858000     -0.5244000       1.462000
  1 1 1       7   28   21 o    2.822000      0.7338000       2.725000 1.064000       2.920000       1.011000     -0.1945000       1.468000
  1 1 1       7   28   22 o    2.618000      0.6874000       3.375000 1.082000       1.860000      0.8485000       1.515000       1.375000
  1 1 1       7   28   23 o    2.120000      0.6542000       1.880000 0.8759000       2.360000      0.9721000     -0.4795000       1.308000
  1 1 1       7   28   24 o    2.839000      0.7449000       2.454000 1.041000       3.224000       1.066000     -0.7698000       1.490000
  1 1 1       7   29    0 o    2.163000      0.5981000       2.141000 0.7871000       2.184000      0.9008000     -0.4219000E-01   1.196000
  1 1 1       7   29    1 o    2.505000      0.5391000       3.231000 0.7265000       1.779000      0.7968000       1.452000       1.078000
  1 1 1       7   29    2 o    4.115000      0.4820000       5.338000 0.4369000       2.892000      0.8593000       2.446000      0.9639000
  1 1 1       7   29    3 o    3.623000      0.4888000       3.248000 0.6386000       3.999000      0.7402000     -0.7512000      0.9776000
  1 1 1       7   29    5 o    3.459000      0.9781000       3.718000 1.483000       3.200000       1.275000      0.5175000       1.956000
  1 1 1       7   29    6 o    4.983000      0.9686000       6.260000 1.392000       3.707000       1.348000       2.553000       1.937000
  1 1 1       7   29    7 o    5.551000      0.9611000       5.592000 1.495000       5.510000       1.209000      0.8223000E-01   1.922000
  1 1 1       7   29    9 o    4.296000      0.9768000       4.800000 1.386000       3.792000       1.377000       1.007000       1.954000
  1 1 1       7   29   10 o    2.922000      0.8125000       3.852000 1.300000       1.993000      0.9756000       1.859000       1.625000
  1 1 1       7   29   11 o    4.390000      0.9092000       4.918000 1.148000       3.862000       1.411000       1.055000       1.818000
  1 1 1       7   29   12 o    2.510000      0.7023000       2.152000 0.9198000       2.868000       1.061000     -0.7157000       1.405000
  1 1 1       7   29   13 o    3.094000      0.7531000       3.291000 1.053000       2.898000       1.077000      0.3928000       1.506000
  1 1 1       7   29   14 o    2.710000       1.031000       2.710000 1.031000                  ?              ?              ?              ?
  1 1 1       7   29   15 o    2.246000      0.6847000       2.044000 0.9299000       2.449000       1.005000     -0.4051000       1.369000
  1 1 1       7   29   16 o    4.190000      0.9918000                  ?       ?   4.190000      0.9918000                  ?              ?
  1 1 1       7   29   17 o    6.755000      0.5281000       7.149000 0.7784000       6.361000      0.7141000      0.7882000       1.056000
  1 1 1       7   29   18 o    2.745000      0.6775000       2.102000 0.9383000       3.389000      0.9776000      -1.288000       1.355000
  1 1 1       7   29   19 o    3.378000      0.6951000       2.292000 0.9979000       4.463000      0.9680000      -2.171000       1.390000
  1 1 1       7   29   20 o    3.462000      0.7664000       3.610000 1.126000       3.315000       1.040000      0.2947000       1.533000
  1 1 1       7   29   21 o    2.945000      0.7604000       3.436000 1.134000       2.455000       1.013000      0.9812000       1.521000
  1 1 1       7   29   22 o    2.543000      0.7152000       2.941000 1.078000       2.145000      0.9407000      0.7956000       1.430000
  1 1 1       7   29   23 o    1.962000      0.6434000       1.795000 0.8626000       2.129000      0.9549000     -0.3344000       1.287000
  1 1 1       7   30    0 o    2.472000      0.6487000       2.528000 0.9089000       2.416000      0.9258000      0.1123000       1.297000
  1 1 1       7   30    1 o    2.609000      0.5969000       1.935000 0.8198000       3.283000      0.8678000      -1.348000       1.194000
  1 1 1       7   30    2 o    1.912000      0.5767000       2.036000 0.8346000       1.788000      0.7962000      0.2481000       1.153000
  1 1 1       7   30    3 o    2.441000      0.6289000       2.973000 0.9293000       1.910000      0.8477000       1.063000       1.258000
  1 1 1       7   30    4 o    7.681000      0.4272000       8.208000 0.5818000       7.154000      0.6256000       1.054000      0.8543000
  1 1 1       7   30    5 o    7.083000      0.4497000       7.205000 0.5960000       6.961000      0.6735000      0.2443000      0.8994000
  1 1 1       7   30    6 o    2.965000      0.6825000       2.270000 0.9571000       3.660000      0.9732000      -1.390000       1.365000
  1 1 1       7   30    7 o    4.462000      0.6215000       4.074000 0.9474000       4.849000      0.8046000     -0.7747000       1.243000
  1 1 1       7   30    8 o    2.400000      0.7031000       2.229000 0.9527000       2.572000       1.034000     -0.3430000       1.406000
  1 1 1       7   30    9 o    3.545000      0.7540000       3.893000 0.9964000       3.197000       1.132000      0.6964000       1.508000
  1 1 1       7   30   10 o    4.479000      0.6971000       4.363000 0.9356000       4.594000       1.034000     -0.2305000       1.394000
  1 1 1       7   30   11 o    3.362000      0.7543000       2.567000 1.001000       4.158000       1.129000      -1.591000       1.509000
  1 1 1       7   30   12 o    2.638000      0.7344000       2.166000 0.9450000       3.110000       1.124000     -0.9436000       1.469000
  1 1 1       7   30   13 f    2.324000      0.6924000       2.581000 1.013000       2.067000      0.9437000      0.5142000       1.385000
  1 1 1       7   30   14 o    4.662000      0.6837000       4.913000 0.9594000       4.412000      0.9745000      0.5017000       1.367000
  1 1 1       7   30   15 o    3.800000      0.7705000       3.539000 1.147000       4.060000       1.029000     -0.5209000       1.541000
  1 1 1       7   30   16 o    5.244000      0.8431000                  ?       ?   5.244000      0.8431000                  ?              ?
  1 1 1       7   30   17 o    2.862000      0.7635000       3.449000 1.147000       2.275000       1.008000       1.174000       1.527000
  1 1 1       7   30   18 o    2.085000      0.6676000       2.104000 0.9591000       2.066000      0.9289000      0.3789000E-01   1.335000
  1 1 1       7   30   19 o    3.115000      0.7687000       3.260000 1.110000       2.970000       1.064000      0.2896000       1.537000
  1 1 1       7   30   20 o    2.684000      0.8076000       2.579000 1.125000       2.789000       1.159000     -0.2103000       1.615000
  1 1 1       7   30   21 o    2.956000      0.7347000       2.218000 0.9951000       3.694000       1.081000      -1.476000       1.469000
  1 1 1       7   31    0 o    3.719000      0.5836000       4.691000 0.6769000       2.748000      0.9508000       1.943000       1.167000
  1 1 1       7   31    1 o    4.277000      0.5561000       4.799000 0.6611000       3.754000      0.8943000       1.044000       1.112000
  1 1 1       7   31    2 o    2.007000      0.6011000       2.141000 0.8595000       1.874000      0.8406000      0.2670000       1.202000
  1 1 1       7   31    3 o    3.922000      0.6222000       3.843000 0.8485000       4.000000      0.9103000     -0.1562000       1.244000
  1 1 1       7   31    4 o    3.215000      0.6050000       4.511000 0.8461000       1.920000      0.8649000       2.591000       1.210000
  1 1 1       7   31    5 o    4.159000      0.6564000       4.492000 0.8829000       3.826000      0.9715000      0.6661000       1.313000
  1 1 1       7   31    6 o    3.425000      0.7035000       4.004000 0.9670000       2.846000       1.022000       1.158000       1.407000
  1 1 1       7   31    7 o    2.219000      0.6622000       1.834000 0.8491000       2.604000       1.016000     -0.7696000       1.324000
  1 1 1       7   31    8 o    3.000000      0.7304000       3.313000 1.019000       2.687000       1.047000      0.6261000       1.461000
  1 1 1       7   31    9 o    4.251000      0.7059000       3.882000 1.001000       4.620000      0.9953000     -0.7386000       1.412000
  1 1 1       7   31   10 o    2.884000      0.7830000       2.645000 1.041000       3.123000       1.170000     -0.4779000       1.566000
  1 1 1       7   31   11 o    2.062000      0.6649000       1.805000 0.8519000       2.319000       1.021000     -0.5144000       1.330000
  1 1 1       7   31   12 o    3.357000      0.7403000       4.057000 1.011000       2.657000       1.082000       1.400000       1.481000
  1 1 1       7   31   13 o    6.390000      0.4897000       6.337000 0.6528000       6.442000      0.7302000     -0.1053000      0.9795000
  1 1 1       7   31   14 f    5.991000      0.6434000       6.116000 0.7778000       5.867000       1.025000      0.2487000       1.287000
  1 1 1       7   31   15 o    5.368000      0.6478000       4.989000 0.9654000       5.748000      0.8640000     -0.7585000       1.296000
  1 1 1       7   31   16 o    3.568000      0.7624000       2.542000 1.122000       4.594000       1.032000      -2.052000       1.525000
  1 1 1       7   31   17 o    4.454000      0.7608000       4.506000 1.063000       4.402000       1.088000      0.1040000       1.522000
  1 1 1       7   31   18 o    3.514000      0.8194000       3.751000 1.177000       3.278000       1.141000      0.4724000       1.639000
  1 1 1       7   31   19 o    3.996000      0.7915000       3.912000 1.154000       4.080000       1.084000     -0.1683000       1.583000
  1 1 1       7   31   20 o    2.172000      0.6933000       2.104000 0.9656000       2.239000      0.9952000     -0.1350000       1.387000
  1 1 1       7   32    0 o    2.830000      0.7098000       2.702000 0.9737000       2.958000       1.033000     -0.2556000       1.420000
  1 1 1       7   32    1 o    4.593000      0.5830000       4.244000 0.8389000       4.942000      0.8099000     -0.6984000       1.166000
  1 1 1       7   32    2 o    3.046000      0.7075000       2.446000 0.9443000       3.646000       1.054000      -1.199000       1.415000
  1 1 1       7   32    3 o    3.455000      0.7149000       3.950000 0.9546000       2.961000       1.064000      0.9885000       1.430000
  1 1 1       7   32    4 o    7.664000      0.4525000       8.137000 0.5429000       7.191000      0.7240000      0.9464000      0.9049000
  1 1 1       7   32    5 o    4.014000      0.7082000       4.106000 1.001000       3.922000       1.002000      0.1845000       1.416000
  1 1 1       7   32    6 o    2.545000      0.7098000       2.902000 1.055000       2.188000      0.9502000      0.7133000       1.420000
  1 1 1       7   32    7 o    2.639000      0.7067000       2.041000 0.9201000       3.236000       1.073000      -1.196000       1.413000
  1 1 1       7   32    8 o    1.895000      0.6311000       1.930000 0.8952000       1.860000      0.8899000      0.7074000E-01   1.262000
  1 1 1       7   32    9 o    3.432000      0.7879000       3.450000 1.095000       3.413000       1.133000      0.3699000E-01   1.576000
  1 1 1       7   32   10 o    2.565000      0.7455000       2.451000 1.028000       2.680000       1.080000     -0.2284000       1.491000
  1 1 1       7   32   11 o    2.278000      0.7101000       2.291000 1.002000       2.264000       1.007000      0.2776000E-01   1.420000
  1 1 1       7   32   12 o    2.465000      0.7406000       2.490000 1.043000       2.440000       1.051000      0.5044000E-01   1.481000
  1 1 1       7   32   13 o    2.506000      0.7380000       2.067000 0.9484000       2.946000       1.131000     -0.8788000       1.476000
  1 1 1       7   32   14 o    3.393000      0.7924000       2.905000 1.131000       3.881000       1.110000     -0.9753000       1.585000
  1 1 1       7   32   15 o    2.313000      0.7110000       2.021000 0.9385000       2.605000       1.068000     -0.5846000       1.422000
  1 1 1       7   32   16 o    3.043000      0.7613000       2.278000 1.027000       3.808000       1.124000      -1.530000       1.523000
  1 1 1       7   32   17 o    2.928000      0.7741000       2.324000 1.030000       3.532000       1.156000      -1.208000       1.548000
  1 1 1       7   32   18 o    2.718000      0.7850000       2.829000 1.134000       2.607000       1.085000      0.2217000       1.570000
  1 1 1       7   33    0 o    6.126000      0.5804000       6.943000 0.6406000       5.310000      0.9681000       1.632000       1.161000
  1 1 1       7   33    1 o    6.842000      0.5297000       6.625000 0.6412000       7.058000      0.8434000     -0.4329000       1.059000
  1 1 1       7   33    2 o    4.308000      0.7045000       3.619000 1.018000       4.998000      0.9740000      -1.379000       1.409000
  1 1 1       7   33    3 o    4.614000      0.7055000       5.455000 0.8609000       3.772000       1.118000       1.684000       1.411000
  1 1 1       7   33    4 o    3.912000      0.7583000       3.893000 1.064000       3.931000       1.081000     -0.3826000E-01   1.517000
  1 1 1       7   33    5 o    2.658000      0.7366000       2.311000 0.9848000       3.005000       1.096000     -0.6943000       1.473000
  1 1 1       7   33    6 o    3.052000      0.7799000       3.406000 1.098000       2.699000       1.108000      0.7070000       1.560000
  1 1 1       7   33    7 o    2.600000      0.7670000       2.648000 1.088000       2.552000       1.081000      0.9628000E-01   1.534000
  1 1 1       7   33    8 o    3.815000      0.7663000       4.532000 1.006000       3.098000       1.157000       1.434000       1.533000
  1 1 1       7   33    9 o    2.725000      0.7592000       2.387000 1.019000       3.062000       1.126000     -0.6750000       1.518000
  1 1 1       7   33   10 o    2.549000      0.7366000       1.916000 0.9050000       3.182000       1.163000      -1.266000       1.473000
  1 1 1       7   33   11 o    3.328000      0.8210000       2.936000 1.138000       3.720000       1.183000     -0.7839000       1.642000
  1 1 1       7   33   12 o    2.507000      0.7348000       2.992000 1.124000       2.023000      0.9471000      0.9691000       1.470000
  1 1 1       7   33   13 o    2.182000      0.6880000       2.305000 0.9925000       2.059000      0.9530000      0.2458000       1.376000
  1 1 1       7   33   14 o    2.666000      0.7485000       2.493000 1.026000       2.839000       1.091000     -0.3457000       1.497000
  1 1 1       7   33   15 o    2.915000      0.9164000       2.482000 1.065000       3.348000       1.492000     -0.8668000       1.833000
  1 1 1       7   33   16 f    3.365000       1.459000                  ?       ?   3.365000       1.459000                  ?              ?
  1 1 1       7   34    0 o    9.110000      0.4745000       9.224000 0.5649000       8.995000      0.7626000      0.2295000      0.9490000
  1 1 1       7   34    1 o    5.413000      0.6859000       6.292000 0.7573000       4.533000       1.144000       1.759000       1.372000
  1 1 1       7   34    2 o    2.751000      0.7696000       2.604000 1.051000       2.897000       1.124000     -0.2932000       1.539000
  1 1 1       7   34    3 o    3.714000      0.7274000       4.622000 0.9500000       2.805000       1.102000       1.817000       1.455000
  1 1 1       7   34    4 o    2.434000      0.6764000       1.482000 0.7333000       3.387000       1.137000      -1.905000       1.353000
  1 1 1       7   34    5 o    4.610000      0.8132000       4.893000 1.145000       4.327000       1.155000      0.5662000       1.626000
  1 1 1       7   34    6 o    3.955000      0.6901000       5.480000 0.8672000       2.430000       1.074000       3.050000       1.380000
  1 1 1       7   34    7 o    3.660000      0.7986000       3.816000 1.091000       3.504000       1.167000      0.3122000       1.597000
  1 1 1       7   34    8 o    2.848000      0.6850000       1.753000 0.8363000       3.943000       1.085000      -2.190000       1.370000
  1 1 1       7   34    9 o    3.484000      0.7852000       3.463000 1.068000       3.504000       1.151000     -0.4055000E-01   1.570000
  1 1 1       7   34   10 o    2.801000      0.7632000       3.311000 1.133000       2.290000       1.023000       1.021000       1.526000
  1 1 1       7   34   11 o    2.730000      0.7565000       2.292000 0.9997000       3.169000       1.136000     -0.8768000       1.513000
  1 1 1       7   34   12 f    2.813000      0.7639000       3.331000 1.138000       2.295000       1.020000       1.036000       1.528000
  1 1 1       7   34   13 f    3.347000      0.9058000       2.705000 1.081000       3.989000       1.454000      -1.284000       1.812000
  1 1 1       7   35    0 f    4.027000      0.8159000       3.792000 1.111000       4.262000       1.196000     -0.4691000       1.632000
  1 1 1       7   35    1 o    2.540000      0.7643000       2.604000 1.072000       2.476000       1.090000      0.1281000       1.529000
  1 1 1       7   35    2 o    2.782000      0.7899000       2.990000 1.095000       2.574000       1.139000      0.4158000       1.580000
  1 1 1       7   35    3 o    3.240000      0.7354000       2.263000 0.9696000       4.217000       1.106000      -1.954000       1.471000
  1 1 1       7   35    4 o    2.520000      0.7586000       2.285000 1.001000       2.755000       1.140000     -0.4703000       1.517000
  1 1 1       7   35    5 o    3.893000      0.8102000       4.267000 1.058000       3.520000       1.227000      0.7470000       1.620000
  1 1 1       7   35    6 o    3.045000      0.7876000       3.325000 1.086000       2.765000       1.141000      0.5603000       1.575000
  1 1 1       7   35    7 o    2.585000      0.7597000       2.249000 0.9837000       2.921000       1.158000     -0.6724000       1.519000
  1 1 1       7   35    8 o    2.678000      0.7684000       2.615000 1.055000       2.741000       1.118000     -0.1266000       1.537000
  1 1 1       7   35    9 o    2.730000      0.7683000       3.005000 1.114000       2.455000       1.059000      0.5503000       1.537000
  1 1 1       7   36    0 o    2.716000      0.6934000       3.236000 0.9559000       2.196000       1.005000       1.039000       1.387000
  1 1 1       7   36    1 o    4.281000      0.9523000       4.459000 1.528000       4.104000       1.137000      0.3544000       1.905000
  1 1 1       7   36    2 o    2.479000      0.6896000       2.820000 0.9526000       2.138000      0.9973000      0.6819000       1.379000
  1 1 1       8  -29    0 f    2.563000       1.071000       2.563000 1.071000                  ?              ?              ?              ?
  1 1 1       8  -29    1 o    2.089000      0.6696000       1.547000 0.7656000       2.630000       1.099000      -1.084000       1.339000
  1 1 1       8  -29    2 o    3.414000       1.192000                  ?       ?   3.414000       1.192000                  ?              ?
  1 1 1       8  -29    3 o    2.627000      0.7666000       2.658000 1.090000       2.597000       1.078000      0.6131000E-01   1.533000
  1 1 1       8  -29    4 o    3.401000      0.9480000       3.349000 1.462000       3.454000       1.208000     -0.1045000       1.896000
  1 1 1       8  -28    0 o    1.965000      0.6399000       1.850000 0.8783000       2.079000      0.9308000     -0.2288000       1.280000
  1 1 1       8  -28    1 o    5.914000      0.7509000       5.994000 1.006000       5.834000       1.115000      0.1602000       1.502000
  1 1 1       8  -28    2 f    4.021000      0.8489000       3.025000 1.389000       5.016000      0.9765000      -1.992000       1.698000
  1 1 1       8  -28    3 o    2.719000      0.7777000       2.850000 1.112000       2.587000       1.088000      0.2623000       1.555000
  1 1 1       8  -28    4 o    4.538000      0.7675000       4.655000 1.030000       4.421000       1.138000      0.2341000       1.535000
  1 1 1       8  -28    5 o    2.830000      0.7613000       3.552000 1.165000       2.108000      0.9802000       1.444000       1.523000
  1 1 1       8  -28    6 o    4.143000      0.8008000       4.729000 1.139000       3.557000       1.126000       1.173000       1.602000
  1 1 1       8  -28    7 o    2.267000      0.7000000       2.354000 1.015000       2.181000      0.9647000      0.1727000       1.400000
  1 1 1       8  -28    8 o    4.189000      0.6920000       5.429000 0.8616000       2.949000       1.083000       2.480000       1.384000
  1 1 1       8  -28    9 o    4.380000      0.6893000       4.469000 0.9527000       4.290000      0.9964000      0.1789000       1.379000
  1 1 1       8  -28   10 o    2.552000      0.8092000       2.464000 1.135000       2.641000       1.153000     -0.1778000       1.618000
  1 1 1       8  -27    0 o    5.131000      0.6922000       5.753000 0.8162000       4.509000       1.118000       1.244000       1.384000
  1 1 1       8  -27    1 o    6.409000      0.6479000       7.299000 0.6875000       5.520000       1.098000       1.779000       1.296000
  1 1 1       8  -27    2 o    3.889000      0.7685000       3.581000 1.072000       4.198000       1.101000     -0.6171000       1.537000
  1 1 1       8  -27    3 o    3.137000      0.7857000       3.473000 1.134000       2.801000       1.087000      0.6713000       1.571000
  1 1 1       8  -27    4 o    4.247000      0.7856000       3.986000 1.122000       4.508000       1.100000     -0.5212000       1.571000
  1 1 1       8  -27    5 o    2.871000      0.7930000       2.602000 1.077000       3.140000       1.164000     -0.5381000       1.586000
  1 1 1       8  -27    6 o    2.217000      0.7004000       2.145000 0.9816000       2.289000      0.9993000     -0.1441000       1.401000
  1 1 1       8  -27    7 o    2.842000      0.7267000       2.454000 1.030000       3.230000       1.025000     -0.7764000       1.453000
  1 1 1       8  -27    8 o    3.430000      0.7194000       4.383000 1.018000       2.478000       1.017000       1.904000       1.439000
  1 1 1       8  -27    9 o    2.113000      0.6716000       2.047000 0.9355000       2.179000      0.9638000     -0.1319000       1.343000
  1 1 1       8  -27   10 o    2.570000      0.7349000       2.289000 1.007000       2.850000       1.071000     -0.5612000       1.470000
  1 1 1       8  -27   11 o    3.000000      0.7194000       3.710000 1.067000       2.290000      0.9652000       1.420000       1.439000
  1 1 1       8  -27   12 o    3.623000      0.6986000       2.769000 1.082000       4.478000      0.8842000      -1.709000       1.397000
  1 1 1       8  -27   13 o    1.905000      0.6175000       1.805000 0.8572000       2.005000      0.8889000     -0.1998000       1.235000
  1 1 1       8  -26    0 o    6.800000      0.4929000       6.478000 0.6868000       7.121000      0.7070000     -0.6423000      0.9857000
  1 1 1       8  -26    1 o    2.343000      0.6871000       2.136000 0.9274000       2.550000       1.014000     -0.4144000       1.374000
  1 1 1       8  -26    2 o    3.048000      0.7315000       3.626000 1.019000       2.470000       1.049000       1.156000       1.463000
  1 1 1       8  -26    3 o    4.441000      0.7059000       5.237000 0.8357000       3.644000       1.138000       1.593000       1.412000
  1 1 1       8  -26    4 o    5.037000      0.6839000       5.910000 0.7746000       4.165000       1.127000       1.745000       1.368000
  1 1 1       8  -26    5 o    3.542000      0.8103000       3.270000 1.134000       3.815000       1.158000     -0.5450000       1.621000
  1 1 1       8  -26    6 o    3.233000      0.7722000       3.894000 1.104000       2.572000       1.080000       1.322000       1.544000
  1 1 1       8  -26    7 o    2.689000      0.7515000       2.668000 1.055000       2.710000       1.071000     -0.4248000E-01   1.503000
  1 1 1       8  -26    8 o    3.088000      0.7397000       2.710000 1.051000       3.467000       1.042000     -0.7570000       1.479000
  1 1 1       8  -26    9 o    2.647000      0.7384000       3.004000 1.103000       2.290000      0.9820000      0.7139000       1.477000
  1 1 1       8  -26   10 o    3.772000      0.7786000       3.643000 1.144000       3.902000       1.056000     -0.2596000       1.557000
  1 1 1       8  -26   11 o    3.528000      0.7206000       3.395000 1.051000       3.662000      0.9863000     -0.2663000       1.441000
  1 1 1       8  -26   12 o    3.546000      0.9036000       2.832000 1.217000       4.259000       1.336000      -1.426000       1.807000
  1 1 1       8  -26   13 o    2.856000      0.8445000       3.078000 1.226000       2.633000       1.162000      0.4441000       1.689000
  1 1 1       8  -26   14 f    2.593000      0.8415000       3.136000 1.357000       2.050000      0.9960000       1.086000       1.683000
  1 1 1       8  -26   15 o    3.765000       1.061000       4.271000 1.618000       3.260000       1.374000       1.011000       2.122000
  1 1 1       8  -26   16 o    2.913000       1.346000       2.913000 1.346000                  ?              ?              ?              ?
  1 1 1       8  -25    0 o    2.844000      0.6974000       3.154000 0.9679000       2.534000       1.004000      0.6200000       1.395000
  1 1 1       8  -25    1 o    8.660000      0.5146000       8.660000 0.5146000                  ?              ?              ?              ?
  1 1 1       8  -25    2 o    5.109000      0.8655000       3.984000 1.592000       6.234000      0.6804000      -2.250000       1.731000
  1 1 1       8  -25    4 o    9.103000      0.4618000       8.726000 0.6551000       9.480000      0.6511000     -0.7539000      0.9237000
  1 1 1       8  -25    5 o    3.797000      0.8593000       4.000000 1.195000       3.594000       1.235000      0.4067000       1.719000
  1 1 1       8  -25    6 o    2.859000      0.8133000       2.406000 1.067000       3.311000       1.227000     -0.9041000       1.627000
  1 1 1       8  -25    7 o    2.072000      0.6779000       2.273000 1.023000       1.871000      0.8893000      0.4021000       1.356000
  1 1 1       8  -25    8 o    6.453000      0.5978000       6.747000 0.7870000       6.158000      0.9002000      0.5885000       1.196000
  1 1 1       8  -25    9 o    5.047000      0.5486000       5.161000 0.7876000       4.932000      0.7640000      0.2288000       1.097000
  1 1 1       8  -25   10 o    3.007000      0.7548000       2.646000 1.067000       3.368000       1.068000     -0.7223000       1.510000
  1 1 1       8  -25   11 o    3.060000      0.7379000       2.648000 1.048000       3.471000       1.039000     -0.8229000       1.476000
  1 1 1       8  -25   12 o    3.661000      0.6835000       2.979000 1.050000       4.342000      0.8753000      -1.363000       1.367000
  1 1 1       8  -25   13 o    2.700000      0.7149000       2.832000 1.048000       2.568000      0.9730000      0.2639000       1.430000
  1 1 1       8  -25   14 o    3.015000      0.7375000       3.254000 1.093000       2.777000      0.9905000      0.4771000       1.475000
  1 1 1       8  -25   15 o    2.517000      0.6818000       3.252000 1.090000       1.781000      0.8193000       1.471000       1.364000
  1 1 1       8  -25   16 o    3.987000      0.6630000       4.321000 0.9353000       3.653000      0.9400000      0.6686000       1.326000
  1 1 1       8  -25   17 o    2.407000      0.6900000       2.394000 1.001000       2.419000      0.9495000     -0.2513000E-01   1.380000
  1 1 1       8  -25   18 o    2.313000      0.6844000       2.408000 1.013000       2.219000      0.9203000      0.1888000       1.369000
  1 1 1       8  -24    0 o    3.833000      0.6737000       4.332000 0.8108000       3.335000       1.076000      0.9975000       1.347000
  1 1 1       8  -24    1 o    5.331000      0.5476000       6.503000 0.6137000       4.159000      0.9070000       2.345000       1.095000
  1 1 1       8  -24    2 o    3.631000      0.6951000       2.978000 0.9472000       4.285000       1.018000      -1.306000       1.390000
  1 1 1       8  -24    3 f    6.275000      0.7549000                  ?       ?   6.275000      0.7549000                  ?              ?
  1 1 1       8  -24    4 f    3.713000      0.7313000       4.178000 1.000000       3.249000       1.067000      0.9291000       1.463000
  1 1 1       8  -24    5 o    2.535000      0.7033000       1.993000 0.9187000       3.078000       1.065000      -1.085000       1.407000
  1 1 1       8  -24    6 o    2.814000      0.7545000       3.207000 1.114000       2.420000       1.018000      0.7872000       1.509000
  1 1 1       8  -24    7 o    4.132000      0.6782000       4.546000 0.9778000       3.718000      0.9401000      0.8280000       1.356000
  1 1 1       8  -24    8 o    2.806000      0.8411000       3.072000 1.267000       2.540000       1.107000      0.5319000       1.682000
  1 1 1       8  -24    9 o    2.959000      0.8536000       3.082000 1.251000       2.836000       1.162000      0.2460000       1.707000
  1 1 1       8  -24   10 o    2.993000      0.8399000       3.061000 1.222000       2.926000       1.153000      0.1356000       1.680000
  1 1 1       8  -24   11 o    3.046000      0.7836000       2.838000 1.124000       3.254000       1.092000     -0.4164000       1.567000
  1 1 1       8  -24   13 o    6.891000      0.4966000       6.688000 0.7235000       7.093000      0.6804000     -0.4057000      0.9931000
  1 1 1       8  -24   14 o    2.705000      0.6813000       1.766000 0.8480000       3.643000       1.067000      -1.877000       1.363000
  1 1 1       8  -24   15 o    5.095000      0.5201000       4.891000 0.8214000       5.298000      0.6383000     -0.4068000       1.040000
  1 1 1       8  -24   16 o    4.348000      0.6114000       3.973000 0.9701000       4.724000      0.7443000     -0.7511000       1.223000
  1 1 1       8  -24   17 o    2.671000      0.6830000       3.290000 1.040000       2.052000      0.8852000       1.238000       1.366000
  1 1 1       8  -24   18 o    2.434000      0.6935000       2.838000 1.069000       2.030000      0.8833000      0.8075000       1.387000
  1 1 1       8  -24   19 o    2.836000      0.7320000       2.760000 1.085000       2.912000      0.9826000     -0.1521000       1.464000
  1 1 1       8  -24   20 o    2.418000      0.7106000       2.914000 1.120000       1.922000      0.8750000      0.9921000       1.421000
  1 1 1       8  -23    0 o    4.188000      0.5873000       3.917000 0.8520000       4.459000      0.8085000     -0.5422000       1.175000
  1 1 1       8  -23    1 o    1.741000      0.5583000       2.147000 0.9026000       1.335000      0.6574000      0.8114000       1.117000
  1 1 1       8  -23    2 o    2.412000      0.8202000       2.499000 1.221000       2.325000       1.096000      0.1748000       1.640000
  1 1 1       8  -23    3 o    3.070000      0.9499000       3.545000 1.491000       2.596000       1.177000      0.9489000       1.900000
  1 1 1       8  -23    4 o    3.272000      0.8915000       2.204000 1.087000       4.339000       1.414000      -2.136000       1.783000
  1 1 1       8  -23    5 o    3.945000      0.8924000       4.818000 1.559000       3.071000      0.8689000       1.747000       1.785000
  1 1 1       8  -23    6 o    3.166000      0.7018000       4.117000 1.026000       2.214000      0.9579000       1.903000       1.404000
  1 1 1       8  -23    7 o    6.198000      0.4856000       6.779000 0.6579000       5.617000      0.7144000       1.162000      0.9712000
  1 1 1       8  -23    8 o    3.852000      0.6602000       3.152000 1.054000       4.551000      0.7950000      -1.399000       1.320000
  1 1 1       8  -23    9 o    2.690000      0.7244000       2.947000 1.083000       2.432000      0.9625000      0.5148000       1.449000
  1 1 1       8  -23   10 o    3.471000      0.7264000       4.015000 1.053000       2.927000       1.001000       1.089000       1.453000
  1 1 1       8  -23   11 o    4.841000      0.5871000       5.332000 0.7825000       4.349000      0.8755000      0.9835000       1.174000
  1 1 1       8  -23   12 o    2.316000      0.6442000       1.997000 0.8664000       2.635000      0.9537000     -0.6385000       1.288000
  1 1 1       8  -23   13 o    2.820000      0.6649000       2.377000 0.9314000       3.262000      0.9492000     -0.8849000       1.330000
  1 1 1       8  -23   14 o    2.421000      0.6719000       2.182000 0.9182000       2.660000      0.9813000     -0.4779000       1.344000
  1 1 1       8  -23   15 o    3.206000      0.6708000       2.732000 0.9931000       3.680000      0.9020000     -0.9476000       1.342000
  1 1 1       8  -23   16 o    2.666000      0.6705000       2.482000 0.9814000       2.851000      0.9140000     -0.3694000       1.341000
  1 1 1       8  -23   17 o    2.531000      0.6798000       2.606000 0.9995000       2.457000      0.9218000      0.1491000       1.360000
  1 1 1       8  -23   18 o    3.899000      0.6342000       3.852000 0.9508000       3.946000      0.8397000     -0.9333000E-01   1.268000
  1 1 1       8  -23   19 o    2.229000      0.6703000       2.097000 0.9611000       2.360000      0.9346000     -0.2626000       1.341000
  1 1 1       8  -23   20 o    2.124000      0.6510000       2.389000 0.9949000       1.860000      0.8398000      0.5289000       1.302000
  1 1 1       8  -23   21 o    2.420000      0.6849000       2.093000 0.9550000       2.748000      0.9819000     -0.6543000       1.370000
  1 1 1       8  -22    0 o    3.287000      0.6360000       4.148000 0.5422000       2.427000       1.151000       1.721000       1.272000
  1 1 1       8  -22    1 o    8.306000      0.3297000       8.154000 0.4709000       8.459000      0.4617000     -0.3052000      0.6595000
  1 1 1       8  -22    2 o    6.557000      0.3535000       6.766000 0.5192000       6.347000      0.4799000      0.4190000      0.7070000
  1 1 1       8  -22    3 o    4.231000      0.5233000       4.694000 0.6769000       3.768000      0.7983000      0.9259000       1.047000
  1 1 1       8  -22    4 o    5.857000      0.4491000       6.278000 0.5887000       5.437000      0.6785000      0.8411000      0.8983000
  1 1 1       8  -22    5 o    5.803000      0.5271000       5.601000 0.7356000       6.006000      0.7552000     -0.4050000       1.054000
  1 1 1       8  -22    6 o    7.045000      0.4635000       7.678000 0.5687000       6.413000      0.7321000       1.265000      0.9271000
  1 1 1       8  -22    7 o    7.909000      0.3831000       7.961000 0.5512000       7.858000      0.5323000      0.1034000      0.7663000
  1 1 1       8  -22    8 o    4.666000      0.5971000       5.249000 0.7595000       4.084000      0.9216000       1.165000       1.194000
  1 1 1       8  -22    9 o    2.353000      0.6769000       2.022000 0.8995000       2.685000       1.012000     -0.6631000       1.354000
  1 1 1       8  -22   10 o    6.136000      0.4572000       6.176000 0.6376000       6.096000      0.6555000      0.7968000E-01  0.9144000
  1 1 1       8  -22   11 o    5.908000      0.4450000       6.221000 0.6103000       5.595000      0.6477000      0.6262000      0.8900000
  1 1 1       8  -22   12 o    2.985000      0.6333000       3.297000 0.8879000       2.672000      0.9033000      0.6251000       1.267000
  1 1 1       8  -22   13 o    3.620000      0.6017000       3.414000 0.8917000       3.826000      0.8082000     -0.4121000       1.203000
  1 1 1       8  -22   14 o    2.765000      0.6367000       3.135000 0.8893000       2.396000      0.9115000      0.7391000       1.273000
  1 1 1       8  -22   15 o    2.383000      0.5855000       3.106000 0.8977000       1.660000      0.7518000       1.447000       1.171000
  1 1 1       8  -22   16 o    5.182000      0.4172000       5.113000 0.6274000       5.250000      0.5501000     -0.1372000      0.8345000
  1 1 1       8  -22   17 o    4.720000      0.4840000       4.718000 0.7460000       4.722000      0.6168000     -0.4200000E-02  0.9680000
  1 1 1       8  -22   18 o    6.686000      0.6859000       6.068000 0.6360000       7.304000       1.215000      -1.236000       1.372000
  1 1 1       8  -22   19 o    2.865000      0.6542000       2.356000 0.9814000       3.374000      0.8652000      -1.018000       1.308000
  1 1 1       8  -22   20 o    1.918000      0.6002000       1.846000 0.8652000       1.991000      0.8322000     -0.1448000       1.200000
  1 1 1       8  -22   21 o    2.931000      0.6878000       2.644000 1.050000       3.218000      0.8884000     -0.5742000       1.376000
  1 1 1       8  -22   22 o    2.460000      0.6887000       2.650000 1.046000       2.269000      0.8961000      0.3805000       1.377000
  1 1 1       8  -22   23 o    2.820000      0.7254000       3.221000 1.083000       2.419000      0.9649000      0.8018000       1.451000
  1 1 1       8  -21    0 f    10.21000      0.3024000       10.58000 0.4144000       9.829000      0.4404000      0.7545000      0.6047000
  1 1 1       8  -21    1 o    4.533000      0.5175000       5.076000 0.6398000       3.990000      0.8136000       1.087000       1.035000
  1 1 1       8  -21    2 o    3.740000      0.8305000       3.740000 0.8305000                  ?              ?              ?              ?
  1 1 1       8  -21    3 o    4.723000      0.4830000       4.975000 0.6210000       4.471000      0.7400000      0.5038000      0.9661000
  1 1 1       8  -21    5 o    5.596000      0.4579000       6.108000 0.6507000       5.085000      0.6444000       1.024000      0.9158000
  1 1 1       8  -21    6 o    10.40000      0.3626000       10.38000 0.4899000       10.43000      0.5346000     -0.4342000E-01  0.7251000
  1 1 1       8  -21    7 o    5.862000      0.4837000       5.287000 0.7750000       6.437000      0.5790000      -1.151000      0.9674000
  1 1 1       8  -21    8 o    4.279000      0.7669000       4.363000 1.099000       4.194000       1.070000      0.1685000       1.534000
  1 1 1       8  -21    9 o    3.716000      0.7087000       3.017000 1.054000       4.416000      0.9478000      -1.398000       1.417000
  1 1 1       8  -21   10 o    2.820000      0.7554000       2.677000 1.039000       2.963000       1.097000     -0.2862000       1.511000
  1 1 1       8  -21   11 f    4.737000      0.5630000       4.729000 0.8056000       4.745000      0.7866000     -0.1540000E-01   1.126000
  1 1 1       8  -21   12 o    5.266000      0.4119000       5.132000 0.6042000       5.400000      0.5600000     -0.2676000      0.8238000
  1 1 1       8  -21   13 o    6.465000      0.3603000       6.091000 0.5303000       6.839000      0.4880000     -0.7485000      0.7206000
  1 1 1       8  -21   14 o    2.175000      0.5711000       2.717000 0.8633000       1.634000      0.7478000       1.083000       1.142000
  1 1 1       8  -21   15 o    2.623000      0.5806000       2.274000 0.8521000       2.972000      0.7887000     -0.6988000       1.161000
  1 1 1       8  -21   16 o    7.374000      0.2981000       7.140000 0.4286000       7.608000      0.4146000     -0.4680000      0.5963000
  1 1 1       8  -21   17 o    5.982000      0.3639000       6.162000 0.5435000       5.802000      0.4840000      0.3605000      0.7278000
  1 1 1       8  -21   18 o    3.942000      0.5336000       3.939000 0.8543000       3.946000      0.6396000     -0.6899000E-02   1.067000
  1 1 1       8  -21   19 o    5.591000      0.4554000       5.112000 0.7599000       6.071000      0.5022000     -0.9582000      0.9108000
  1 1 1       8  -21   20 o    8.409000      0.6463000       9.527000 0.5614000       7.292000       1.164000       2.235000       1.293000
  1 1 1       8  -21   21 o    2.636000      0.6946000       2.647000 1.042000       2.625000      0.9190000      0.2208000E-01   1.389000
  1 1 1       8  -21   22 o    2.027000      0.6269000       2.307000 0.9768000       1.746000      0.7861000      0.5611000       1.254000
  1 1 1       8  -21   23 o    2.472000      0.6736000       2.201000 0.9865000       2.743000      0.9175000     -0.5421000       1.347000
  1 1 1       8  -21   24 o    3.220000      0.7087000       3.554000 1.044000       2.886000      0.9588000      0.6678000       1.417000
  1 1 1       8  -20    0 o    11.99000      0.2933000       12.47000 0.3915000       11.52000      0.4370000      0.9491000      0.5867000
  1 1 1       8  -20    1 o    9.137000      0.3087000       9.190000 0.3968000       9.084000      0.4730000      0.1058000      0.6173000
  1 1 1       8  -20    2 o    4.028000      0.4592000       4.058000 0.6543000       3.998000      0.6444000      0.5940000E-01  0.9184000
  1 1 1       8  -20    3 o    7.386000      0.3458000       7.513000 0.4677000       7.259000      0.5095000      0.2539000      0.6917000
  1 1 1       8  -20    4 o    3.304000      0.6082000       2.713000 0.8650000       3.894000      0.8554000      -1.181000       1.216000
  1 1 1       8  -20    5 f    12.20000      0.3494000       13.01000 0.5095000       11.39000      0.4782000       1.618000      0.6987000
  1 1 1       8  -20    6 o    10.45000      0.3397000       10.79000 0.4722000       10.10000      0.4884000      0.6911000      0.6793000
  1 1 1       8  -20    7 o    3.676000      0.6489000       4.333000 0.8984000       3.020000      0.9366000       1.313000       1.298000
  1 1 1       8  -20    8 o    7.386000      0.4007000       7.905000 0.5652000       6.867000      0.5683000       1.038000      0.8014000
  1 1 1       8  -20    9 o    3.011000      0.7241000       2.708000 1.046000       3.314000       1.002000     -0.6059000       1.448000
  1 1 1       8  -20   10 f    2.533000      0.7193000       2.570000 1.015000       2.497000       1.019000      0.7314000E-01   1.439000
  1 1 1       8  -20   11 o    4.130000      0.6750000       4.403000 0.8814000       3.858000       1.023000      0.5452000       1.350000
  1 1 1       8  -20   12 f    1.729000      0.5511000       1.613000 0.7455000       1.845000      0.8119000     -0.2322000       1.102000
  1 1 1       8  -20   13 o    2.796000      0.6131000       2.525000 0.8351000       3.066000      0.8979000     -0.5408000       1.226000
  1 1 1       8  -20   14 f    6.624000      0.3503000       5.977000 0.5296000       7.272000      0.4586000      -1.295000      0.7006000
  1 1 1       8  -20   15 o    8.072000      0.2779000       8.285000 0.4062000       7.860000      0.3794000      0.4255000      0.5559000
  1 1 1       8  -20   16 o    12.79000      0.3045000       12.21000 0.4228000       13.36000      0.4384000      -1.149000      0.6091000
  1 1 1       8  -20   17 o    7.906000      0.5558000       8.841000 0.4218000       6.971000       1.028000       1.869000       1.112000
  1 1 1       8  -20   18 o    2.971000      0.9497000       3.021000 1.354000       2.921000       1.332000      0.9973000E-01   1.899000
  1 1 1       8  -20   19 o    3.286000      0.5575000       2.803000 0.8780000       3.769000      0.6871000     -0.9662000       1.115000
  1 1 1       8  -20   20 o    4.076000      0.5461000       4.376000 0.8337000       3.776000      0.7057000      0.5996000       1.092000
  1 1 1       8  -20   21 o    2.941000      0.6361000       2.668000 0.9976000       3.213000      0.7893000     -0.5452000       1.272000
  1 1 1       8  -20   22 o    3.106000      0.7199000       3.318000 1.096000       2.895000      0.9333000      0.4235000       1.440000
  1 1 1       8  -20   23 o    3.745000      0.6240000       3.487000 0.9680000       4.003000      0.7876000     -0.5161000       1.248000
  1 1 1       8  -20   24 o    4.213000      0.6002000       3.130000 1.028000       5.296000      0.6206000      -2.166000       1.200000
  1 1 1       8  -20   25 o    3.110000      0.6828000       3.620000 1.005000       2.601000      0.9248000       1.019000       1.366000
  1 1 1       8  -20   26 o    2.122000      0.9810000       2.122000 0.9810000                  ?              ?              ?              ?
  1 1 1       8  -19    0 o    7.739000      0.2896000       7.994000 0.3670000       7.485000      0.4480000      0.5096000      0.5792000
  1 1 1       8  -19    1 o    6.014000      0.3246000       6.379000 0.4171000       5.649000      0.4974000      0.7296000      0.6491000
  1 1 1       8  -19    2 f    5.301000      0.4068000       5.880000 0.4780000       4.721000      0.6584000       1.159000      0.8136000
  1 1 1       8  -19    3 o    7.119000      0.3237000       7.272000 0.4107000       6.965000      0.5004000      0.3076000      0.6474000
  1 1 1       8  -19    4 o    6.939000      0.3287000       7.379000 0.4643000       6.500000      0.4655000      0.8796000      0.6575000
  1 1 1       8  -19    5 f    13.24000      0.3503000       13.34000 0.5023000       13.13000      0.4886000      0.2110000      0.7007000
  1 1 1       8  -19    6 o    6.792000      0.3612000       7.083000 0.5356000       6.501000      0.4847000      0.5816000      0.7223000
  1 1 1       8  -19    7 o    4.355000      0.5487000       4.950000 0.7617000       3.761000      0.7900000       1.189000       1.097000
  1 1 1       8  -19    8 o    5.210000      0.5155000       6.164000 0.6784000       4.256000      0.7763000       1.908000       1.031000
  1 1 1       8  -19    9 o    9.309000      0.5079000       9.566000 0.8283000       9.052000      0.5882000      0.5140000       1.016000
  1 1 1       8  -19   10 o    7.621000      0.4079000       6.933000 0.5986000       8.309000      0.5542000      -1.376000      0.8158000
  1 1 1       8  -19   11 o    3.457000      0.6984000       2.924000 0.9989000       3.990000      0.9763000      -1.066000       1.397000
  1 1 1       8  -19   12 o    3.963000      0.5436000       3.453000 0.8225000       4.472000      0.7108000      -1.019000       1.087000
  1 1 1       8  -19   13 o    5.556000      0.3692000       4.901000 0.5291000       6.211000      0.5149000      -1.310000      0.7383000
  1 1 1       8  -19   14 o    7.488000      0.3088000       7.727000 0.4267000       7.249000      0.4465000      0.4786000      0.6176000
  1 1 1       8  -19   15 o    9.293000      0.2630000       9.333000 0.3817000       9.252000      0.3619000      0.8055000E-01  0.5260000
  1 1 1       8  -19   16 o    5.187000      0.3366000       5.279000 0.4783000       5.094000      0.4739000      0.1851000      0.6732000
  1 1 1       8  -19   17 o    1.974000      0.5501000       1.923000 0.7939000       2.025000      0.7618000     -0.1025000       1.100000
  1 1 1       8  -19   18 o    8.399000      0.2902000       8.375000 0.4406000       8.422000      0.3777000     -0.4772000E-01  0.5803000
  1 1 1       8  -19   19 o    4.655000      0.3987000       4.928000 0.6000000       4.382000      0.5253000      0.5458000      0.7974000
  1 1 1       8  -19   20 o    4.942000      0.4371000       4.288000 0.7483000       5.597000      0.4520000      -1.309000      0.8742000
  1 1 1       8  -19   21 o    5.939000      0.3760000       5.294000 0.6272000       6.583000      0.4148000      -1.289000      0.7519000
  1 1 1       8  -19   22 o    4.436000      0.5260000       4.091000 0.8617000       4.781000      0.6033000     -0.6893000       1.052000
  1 1 1       8  -19   23 o    2.784000      0.5467000       1.656000 0.7850000       3.912000      0.7612000      -2.256000       1.093000
  1 1 1       8  -19   24 o    1.861000      0.5669000       1.530000 0.7444000       2.192000      0.8553000     -0.6622000       1.134000
  1 1 1       8  -19   25 o    2.376000      0.6581000       2.527000 0.9938000       2.224000      0.8630000      0.3024000       1.316000
  1 1 1       8  -19   26 o    2.771000      0.6796000       2.711000 1.009000       2.832000      0.9106000     -0.1215000       1.359000
  1 1 1       8  -19   27 o    2.263000      0.6627000       2.978000 1.105000       1.547000      0.7316000       1.431000       1.325000
  1 1 1       8  -18    0 o    6.092000      0.3027000       6.553000 0.3636000       5.631000      0.4840000      0.9216000      0.6054000
  1 1 1       8  -18    1 o    7.039000      0.2965000       7.103000 0.3815000       6.975000      0.4541000      0.1274000      0.5931000
  1 1 1       8  -18    2 o    6.193000      0.3153000       6.471000 0.3843000       5.915000      0.4999000      0.5556000      0.6305000
  1 1 1       8  -18    3 o    5.423000      0.2993000       5.779000 0.4439000       5.067000      0.4017000      0.7121000      0.5987000
  1 1 1       8  -18    4 o    6.519000      0.3271000       6.707000 0.4438000       6.331000      0.4807000      0.3756000      0.6542000
  1 1 1       8  -18    5 o    2.793000      0.6029000       3.080000 0.8622000       2.507000      0.8428000      0.5724000       1.206000
  1 1 1       8  -18    6 o    5.480000      0.4689000       6.309000 0.5722000       4.650000      0.7430000       1.659000      0.9378000
  1 1 1       8  -18    7 o    9.827000      0.3149000       10.09000 0.4516000       9.563000      0.4390000      0.5278000      0.6298000
  1 1 1       8  -18    8 o    6.128000      0.4358000       6.813000 0.5958000       5.443000      0.6361000       1.370000      0.8716000
  1 1 1       8  -18    9 o    8.065000      0.5660000       7.177000 0.9634000       8.952000      0.5943000      -1.775000       1.132000
  1 1 1       8  -18   10 o    5.382000      0.5483000       5.008000 0.8180000       5.757000      0.7305000     -0.7490000       1.097000
  1 1 1       8  -18   11 o    6.373000      0.4643000       6.504000 0.6159000       6.242000      0.6949000      0.2620000      0.9286000
  1 1 1       8  -18   12 o    6.721000      0.3377000       6.780000 0.4645000       6.661000      0.4904000      0.1186000      0.6755000
  1 1 1       8  -18   13 o    9.265000      0.2845000       9.406000 0.3975000       9.123000      0.4071000      0.2834000      0.5690000
  1 1 1       8  -18   14 o    4.606000      0.3919000       4.413000 0.5512000       4.800000      0.5574000     -0.3868000      0.7839000
  1 1 1       8  -18   15 o    5.991000      0.2793000       5.977000 0.3987000       6.005000      0.3914000     -0.2808000E-01  0.5587000
  1 1 1       8  -18   16 o    3.323000      0.4474000       3.554000 0.6106000       3.092000      0.6541000      0.4621000      0.8948000
  1 1 1       8  -18   17 o    3.602000      0.4439000       3.891000 0.6555000       3.313000      0.5989000      0.5780000      0.8879000
  1 1 1       8  -18   18 o    6.929000      0.2900000       6.344000 0.4625000       7.514000      0.3500000      -1.171000      0.5800000
  1 1 1       8  -18   19 o    5.431000      0.3620000       4.936000 0.6021000       5.926000      0.4020000     -0.9899000      0.7240000
  1 1 1       8  -18   20 o    6.325000      0.3167000       6.004000 0.5165000       6.645000      0.3667000     -0.6404000      0.6335000
  1 1 1       8  -18   21 o    2.485000      0.5954000       2.328000 0.9183000       2.641000      0.7582000     -0.3130000       1.191000
  1 1 1       8  -18   22 f    4.253000      0.4653000       4.641000 0.7035000       3.864000      0.6092000      0.7774000      0.9306000
  1 1 1       8  -18   23 o    2.554000      0.5895000       2.115000 0.8892000       2.993000      0.7742000     -0.8783000       1.179000
  1 1 1       8  -18   24 f    3.892000      0.5610000       2.697000 0.9912000       5.086000      0.5256000      -2.388000       1.122000
  1 1 1       8  -18   25 o    3.257000      0.5781000       2.423000 0.9570000       4.090000      0.6488000      -1.667000       1.156000
  1 1 1       8  -18   26 o    1.923000      0.5782000       1.971000 0.8577000       1.876000      0.7757000      0.9454000E-01   1.156000
  1 1 1       8  -18   27 o    2.953000      0.5948000       2.438000 0.8954000       3.468000      0.7831000      -1.029000       1.190000
  1 1 1       8  -18   28 o    1.798000      0.5884000       2.065000 0.9368000       1.531000      0.7122000      0.5342000       1.177000
  1 1 1       8  -17    0 o    8.511000      0.2411000       8.245000 0.3161000       8.777000      0.3642000     -0.5327000      0.4822000
  1 1 1       8  -17    1 o    4.595000      0.3653000       4.986000 0.4338000       4.204000      0.5878000      0.7826000      0.7305000
  1 1 1       8  -17    2 o    4.741000      0.3384000       4.171000 0.5038000       5.310000      0.4519000      -1.139000      0.6768000
  1 1 1       8  -17    3 o    3.728000      0.6332000       3.728000 0.6332000                  ?              ?              ?              ?
  1 1 1       8  -17    4 o    3.586000      0.4239000       3.858000 0.5622000       3.313000      0.6346000      0.5450000      0.8478000
  1 1 1       8  -17    5 o    5.547000      0.5178000                  ?       ?   5.547000      0.5178000                  ?              ?
  1 1 1       8  -17    6 o    6.860000      0.3570000       7.223000 0.5196000       6.498000      0.4897000      0.7252000      0.7140000
  1 1 1       8  -17    7 o    9.952000      0.2954000       10.36000 0.4151000       9.541000      0.4204000      0.8202000      0.5908000
  1 1 1       8  -17    8 f    4.021000      0.6074000       4.617000 0.8444000       3.425000      0.8734000       1.192000       1.215000
  1 1 1       8  -17    9 o    6.225000      0.6373000       7.555000 0.9310000       4.896000      0.8706000       2.659000       1.275000
  1 1 1       8  -17   10 o    3.265000      0.8365000       2.869000 1.253000       3.661000       1.108000     -0.7916000       1.673000
  1 1 1       8  -17   11 o    6.728000      0.7194000       7.313000 1.172000       6.143000      0.8340000       1.170000       1.439000
  1 1 1       8  -17   12 f    7.657000      0.8728000       7.038000 1.570000       8.276000      0.7625000      -1.239000       1.746000
  1 1 1       8  -17   13 o    9.189000      0.9766000       8.125000 1.767000       10.25000      0.8329000      -2.127000       1.953000
  1 1 1       8  -17   16 o    8.463000      0.6406000       7.723000 0.3230000       9.203000       1.240000      -1.480000       1.281000
  1 1 1       8  -17   17 o    2.231000      0.4652000       2.241000 0.7262000       2.222000      0.5815000      0.1826000E-01  0.9303000
  1 1 1       8  -17   18 o    2.431000      0.4556000       2.184000 0.7529000       2.677000      0.5134000     -0.4936000      0.9112000
  1 1 1       8  -17   19 o    8.927000      0.2516000       8.875000 0.4012000       8.979000      0.3037000     -0.1042000      0.5032000
  1 1 1       8  -17   20 o    1.409000      0.4358000       1.463000 0.6867000       1.356000      0.5369000      0.1066000      0.8717000
  1 1 1       8  -17   21 o    4.495000      0.5633000       3.043000 0.6840000       5.948000      0.8953000      -2.905000       1.127000
  1 1 1       8  -17   22 o    3.121000      0.7803000       2.322000 1.050000       3.920000       1.155000      -1.598000       1.561000
  1 1 1       8  -17   23 o    6.376000      0.6851000       4.834000 1.146000       7.917000      0.7510000      -3.084000       1.370000
  1 1 1       8  -17   24 o    4.914000      0.7040000       3.245000 1.189000       6.583000      0.7546000      -3.338000       1.408000
  1 1 1       8  -17   25 o    2.813000      0.7572000       3.255000 1.129000       2.372000       1.009000      0.8835000       1.514000
  1 1 1       8  -17   26 o    2.054000      0.6452000       2.113000 0.9252000       1.995000      0.8994000      0.1189000       1.290000
  1 1 1       8  -17   27 o    3.498000      0.6825000       2.730000 1.009000       4.267000      0.9194000      -1.537000       1.365000
  1 1 1       8  -17   28 o    1.961000      0.6236000       2.022000 0.8905000       1.900000      0.8734000      0.1217000       1.247000
  1 1 1       8  -17   29 o    2.300000      0.6270000       1.982000 0.9106000       2.619000      0.8622000     -0.6370000       1.254000
  1 1 1       8  -16    0 o    5.577000      0.2632000       5.379000 0.3458000       5.776000      0.3970000     -0.3977000      0.5265000
  1 1 1       8  -16    1 o    11.89000      0.2671000       12.22000 0.3287000       11.56000      0.4212000      0.6515000      0.5343000
  1 1 1       8  -16    2 o    7.989000      0.2401000       8.214000 0.3311000       7.764000      0.3478000      0.4498000      0.4802000
  1 1 1       8  -16    4 o    6.417000      0.2965000       6.355000 0.4162000       6.479000      0.4223000     -0.1243000      0.5930000
  1 1 1       8  -16    5 o    9.761000      0.2696000       9.070000 0.3722000       10.45000      0.3901000      -1.382000      0.5392000
  1 1 1       8  -16    6 o    8.285000      0.2903000       8.309000 0.4026000       8.260000      0.4185000      0.4828000E-01  0.5807000
  1 1 1       8  -16    7 o    1.539000      0.5017000       1.556000 0.7156000       1.522000      0.7035000      0.3450000E-01   1.003000
  1 1 1       8  -16    8 o    2.702000      0.6265000       2.554000 0.9222000       2.850000      0.8484000     -0.2958000       1.253000
  1 1 1       8  -16    9 o    7.637000      0.4080000       7.934000 0.6064000       7.339000      0.5460000      0.5954000      0.8160000
  1 1 1       8  -16   10 f    3.943000      0.6361000       3.330000 0.9771000       4.556000      0.8148000      -1.226000       1.272000
  1 1 1       8  -16   11 o    2.181000      0.6463000       2.339000 0.9305000       2.023000      0.8974000      0.3165000       1.293000
  1 1 1       8  -16   12 o    9.356000      0.2808000       9.377000 0.4042000       9.335000      0.3900000      0.4250000E-01  0.5616000
  1 1 1       8  -16   13 o    11.92000      0.2881000       11.55000 0.3835000       12.28000      0.4301000     -0.7333000      0.5762000
  1 1 1       8  -16   14 o    13.56000      0.3016000       13.77000 0.4262000       13.35000      0.4268000      0.4167000      0.6031000
  1 1 1       8  -16   15 o    12.13000      0.2727000       12.39000 0.3925000       11.86000      0.3787000      0.5273000      0.5454000
  1 1 1       8  -16   16 o    7.741000      0.2416000       7.180000 0.3450000       8.302000      0.3382000      -1.122000      0.4831000
  1 1 1       8  -16   17 o    10.14000      0.2557000       10.17000 0.3772000       10.10000      0.3453000      0.6791000E-01  0.5114000
  1 1 1       8  -16   18 o    11.09000      0.2673000       10.86000 0.3886000       11.33000      0.3672000     -0.4740000      0.5346000
  1 1 1       8  -16   19 o    12.74000      0.2929000       12.43000 0.4269000       13.04000      0.4011000     -0.6092000      0.5857000
  1 1 1       8  -16   20 o    7.161000      0.2903000       6.921000 0.4704000       7.401000      0.3403000     -0.4801000      0.5806000
  1 1 1       8  -16   21 o    2.757000      0.5976000       3.281000 0.9359000       2.233000      0.7434000       1.048000       1.195000
  1 1 1       8  -16   22 o    1.921000      0.5215000       1.733000 0.7655000       2.109000      0.7085000     -0.3754000       1.043000
  1 1 1       8  -16   23 o    5.182000      0.4060000       4.312000 0.7110000       6.052000      0.3924000      -1.741000      0.8121000
  1 1 1       8  -16   24 o    2.283000      0.5433000       1.836000 0.8067000       2.730000      0.7280000     -0.8936000       1.087000
  1 1 1       8  -16   25 o    3.040000      0.5332000       2.876000 0.8770000       3.205000      0.6067000     -0.3286000       1.066000
  1 1 1       8  -16   26 f    3.473000      0.5020000       3.084000 0.8199000       3.861000      0.5795000     -0.7770000       1.004000
  1 1 1       8  -16   27 o    4.584000      0.4199000       4.304000 0.6353000       4.864000      0.5494000     -0.5602000      0.8399000
  1 1 1       8  -16   28 o    4.835000      0.3925000       4.683000 0.6072000       4.987000      0.4974000     -0.3047000      0.7850000
  1 1 1       8  -16   29 o    1.767000      0.5333000       1.747000 0.7607000       1.786000      0.7476000     -0.3924000E-01   1.067000
  1 1 1       8  -15    0 o    11.13000      0.2737000       11.23000 0.3798000       11.03000      0.3943000      0.2026000      0.5475000
  1 1 1       8  -15    1 o    8.474000      0.2530000       8.534000 0.3419000       8.414000      0.3729000      0.1205000      0.5059000
  1 1 1       8  -15    2 o    15.46000      0.2615000       15.64000 0.3597000       15.28000      0.3796000      0.3681000      0.5230000
  1 1 1       8  -15    3 o    11.49000      0.2375000       11.70000 0.3192000       11.28000      0.3517000      0.4284000      0.4750000
  1 1 1       8  -15    4 o    3.100000      0.4590000       3.213000 0.5872000       2.988000      0.7056000      0.2253000      0.9180000
  1 1 1       8  -15    5 o    7.769000      0.2711000       8.056000 0.3853000       7.481000      0.3816000      0.5750000      0.5423000
  1 1 1       8  -15    6 o    8.324000      0.8895000       9.867000 0.8835000       6.781000       1.544000       3.085000       1.779000
  1 1 1       8  -15    7 o    3.536000       1.090000       2.808000 1.251000       4.264000       1.786000      -1.456000       2.180000
  1 1 1       8  -15    8 o    4.216000       1.249000       3.172000 1.353000       5.261000       2.099000      -2.089000       2.497000
  1 1 1       8  -15    9 o    9.369000      0.8921000       9.950000 0.7127000       8.787000       1.636000       1.163000       1.784000
  1 1 1       8  -15   10 o    5.014000      0.7604000       6.289000 0.6469000       3.739000       1.376000       2.550000       1.521000
  1 1 1       8  -15   11 o    3.331000      0.6419000       3.848000 0.8489000       2.814000      0.9630000       1.034000       1.284000
  1 1 1       8  -15   12 o    6.121000      0.3264000       6.068000 0.4341000       6.174000      0.4874000     -0.1061000      0.6527000
  1 1 1       8  -15   13 o    5.349000      0.3174000       5.527000 0.4036000       5.170000      0.4899000      0.3568000      0.6348000
  1 1 1       8  -15   14 f    8.219000      0.2419000       8.369000 0.3422000       8.069000      0.3420000      0.3005000      0.4838000
  1 1 1       8  -15   15 o    7.225000      0.2275000       6.897000 0.3275000       7.553000      0.3160000     -0.6561000      0.4551000
  1 1 1       8  -15   16 o    10.41000      0.2412000       10.27000 0.3546000       10.55000      0.3271000     -0.2841000      0.4825000
  1 1 1       8  -15   17 o    11.88000      0.2567000       11.96000 0.3883000       11.80000      0.3358000      0.1614000      0.5134000
  1 1 1       8  -15   18 o    8.773000      0.2370000       8.765000 0.3615000       8.782000      0.3066000     -0.1644000E-01  0.4740000
  1 1 1       8  -15   19 o    3.504000      0.4208000       3.390000 0.7049000       3.619000      0.4597000     -0.2290000      0.8416000
  1 1 1       8  -15   20 o    8.332000      0.3802000       8.850000 0.4054000       7.814000      0.6432000       1.035000      0.7604000
  1 1 1       8  -15   21 o    7.393000      0.3997000       7.841000 0.4140000       6.944000      0.6838000      0.8967000      0.7994000
  1 1 1       8  -15   22 o    5.581000      0.3214000       5.302000 0.5320000       5.860000      0.3609000     -0.5579000      0.6429000
  1 1 1       8  -15   23 o    6.955000      0.2616000       6.457000 0.4280000       7.452000      0.3010000     -0.9952000      0.5233000
  1 1 1       8  -15   24 o    2.225000      0.6097000       2.106000 0.9218000       2.345000      0.7982000     -0.2387000       1.219000
  1 1 1       8  -15   25 o    3.639000      0.6296000       3.382000 1.058000       3.897000      0.6832000     -0.5144000       1.259000
  1 1 1       8  -15   26 o    5.288000      0.5062000       5.122000 0.8497000       5.453000      0.5505000     -0.3309000       1.012000
  1 1 1       8  -15   27 o    2.420000      0.6878000       2.564000 1.048000       2.276000      0.8906000      0.2879000       1.376000
  1 1 1       8  -15   28 o    4.373000      0.6034000       3.941000 1.001000       4.806000      0.6744000     -0.8653000       1.207000
  1 1 1       8  -15   29 o    4.190000      0.5079000       4.905000 0.4685000       3.474000      0.9014000       1.431000       1.016000
  1 1 1       8  -15   30 o    1.430000      0.4697000       1.333000 0.6326000       1.528000      0.6945000     -0.1949000      0.9394000
  1 1 1       8  -14    0 o    11.42000      0.2036000       11.47000 0.2826000       11.37000      0.2931000      0.1018000      0.4071000
  1 1 1       8  -14    1 o    13.76000      0.2896000       13.39000 0.3043000       14.12000      0.4929000     -0.7292000      0.5792000
  1 1 1       8  -14    2 o    18.11000      0.4311000       17.69000 0.5653000       18.53000      0.6509000     -0.8309000      0.8622000
  1 1 1       8  -14    3 o    12.57000      0.4280000       11.98000 0.5379000       13.16000      0.6658000      -1.171000      0.8559000
  1 1 1       8  -14    4 o    3.546000      0.8270000       3.563000 1.118000       3.528000       1.219000      0.3457000E-01   1.654000
  1 1 1       8  -14    5 o    6.703000      0.2544000       6.895000 0.3466000       6.512000      0.3724000      0.3833000      0.5088000
  1 1 1       8  -14    6 o    6.034000      0.2943000       6.067000 0.3916000       6.002000      0.4395000      0.6493000E-01  0.5886000
  1 1 1       8  -14    7 o    7.408000      0.3059000       7.428000 0.4516000       7.388000      0.4128000      0.3958000E-01  0.6118000
  1 1 1       8  -14    8 o    6.163000      0.3336000       5.720000 0.5093000       6.606000      0.4309000     -0.8863000      0.6671000
  1 1 1       8  -14    9 o    9.382000      0.3133000       9.840000 0.4414000       8.924000      0.4446000      0.9156000      0.6265000
  1 1 1       8  -14   10 o    4.858000      0.4981000       5.398000 0.6358000       4.318000      0.7669000       1.080000      0.9962000
  1 1 1       8  -14   11 o    4.962000      0.4602000       4.775000 0.6386000       5.148000      0.6629000     -0.3729000      0.9204000
  1 1 1       8  -14   12 o    3.484000      0.5078000       2.665000 0.7928000       4.304000      0.6349000      -1.639000       1.016000
  1 1 1       8  -14   13 o    5.994000      0.2760000       5.878000 0.3669000       6.109000      0.4123000     -0.2309000      0.5519000
  1 1 1       8  -14   14 o    14.97000      0.2763000       14.47000 0.4088000       15.46000      0.3718000     -0.9867000      0.5526000
  1 1 1       8  -14   15 o    17.09000      0.3141000       16.53000 0.4714000       17.64000      0.4153000      -1.112000      0.6283000
  1 1 1       8  -14   16 o    10.51000      0.2353000       10.19000 0.3417000       10.84000      0.3237000     -0.6471000      0.4707000
  1 1 1       8  -14   17 o    4.992000      0.2575000       4.984000 0.3969000       5.000000      0.3282000     -0.1608000E-01  0.5150000
  1 1 1       8  -14   18 f    4.676000      0.2856000       4.848000 0.4281000       4.504000      0.3781000      0.3445000      0.5711000
  1 1 1       8  -14   19 o    7.505000      0.2448000       7.497000 0.3868000       7.514000      0.3001000     -0.1752000E-01  0.4896000
  1 1 1       8  -14   20 f    9.960000      0.2308000       9.449000 0.3494000       10.47000      0.3017000      -1.022000      0.4616000
  1 1 1       8  -14   21 o    2.441000      0.5143000       2.915000 0.7765000       1.968000      0.6746000      0.9464000       1.029000
  1 1 1       8  -14   22 o    3.768000      0.4070000       3.980000 0.6412000       3.555000      0.5016000      0.4246000      0.8141000
  1 1 1       8  -14   23 f    6.073000      0.2567000       5.685000 0.4263000       6.460000      0.2859000     -0.7753000      0.5133000
  1 1 1       8  -14   24 o    1.882000      0.4826000       1.537000 0.6862000       2.227000      0.6788000     -0.6896000      0.9652000
  1 1 1       8  -14   25 o    4.008000      0.3610000       3.974000 0.5767000       4.042000      0.4343000     -0.6787000E-01  0.7219000
  1 1 1       8  -14   26 o    2.947000      0.4539000       3.353000 0.6282000       2.542000      0.6554000      0.8104000      0.9078000
  1 1 1       8  -14   27 f    2.444000      0.5186000       2.153000 0.7728000       2.735000      0.6919000     -0.5821000       1.037000
  1 1 1       8  -14   28 o    3.394000      0.4539000       3.168000 0.7156000       3.620000      0.5585000     -0.4521000      0.9077000
  1 1 1       8  -14   29 o    2.237000      0.5431000       2.594000 0.7861000       1.879000      0.7496000      0.7145000       1.086000
  1 1 1       8  -14   30 o    2.673000      0.6203000       1.756000 0.8262000       3.591000      0.9254000      -1.835000       1.241000
  1 1 1       8  -14   31 o    1.901000      0.6046000       1.934000 0.8831000       1.867000      0.8260000      0.6636000E-01   1.209000
  1 1 1       8  -13    0 o    8.897000      0.2920000       9.212000 0.3903000       8.581000      0.4343000      0.6304000      0.5839000
  1 1 1       8  -13    1 o    7.404000      0.1909000       7.400000 0.2602000       7.408000      0.2794000     -0.8184000E-02  0.3818000
  1 1 1       8  -13    2 o    4.404000      0.2540000       4.084000 0.3536000       4.724000      0.3648000     -0.6397000      0.5080000
  1 1 1       8  -13    3 o    3.625000      0.3519000       4.307000 0.3760000       2.944000      0.5951000       1.363000      0.7039000
  1 1 1       8  -13    4 o    5.768000      0.3208000       5.768000 0.3208000                  ?              ?              ?              ?
  1 1 1       8  -13    5 o    11.06000      0.2349000       11.31000 0.3221000       10.81000      0.3420000      0.4988000      0.4698000
  1 1 1       8  -13    6 o    8.873000      0.3652000                  ?       ?   8.873000      0.3652000                  ?              ?
  1 1 1       8  -13    7 o    10.08000      0.2602000       10.27000 0.3589000       9.889000      0.3767000      0.3851000      0.5203000
  1 1 1       8  -13    8 o    7.348000      0.2800000       7.264000 0.3876000       7.433000      0.4042000     -0.1693000      0.5600000
  1 1 1       8  -13    9 o    2.187000      0.6188000       2.283000 0.9411000       2.092000      0.8037000      0.1906000       1.238000
  1 1 1       8  -13   10 o    3.784000      0.5636000       3.991000 0.7554000       3.578000      0.8367000      0.4126000       1.127000
  1 1 1       8  -13   11 o    6.121000      0.3529000       5.560000 0.5061000       6.681000      0.4919000      -1.121000      0.7058000
  1 1 1       8  -13   12 o    4.722000      0.3604000       4.564000 0.4933000       4.879000      0.5257000     -0.3142000      0.7209000
  1 1 1       8  -13   13 o    5.017000      0.2902000       4.695000 0.4103000       5.338000      0.4104000     -0.6432000      0.5803000
  1 1 1       8  -13   14 o    14.44000      0.2672000       14.35000 0.4008000       14.53000      0.3535000     -0.1826000      0.5344000
  1 1 1       8  -13   15 o    4.419000      0.2478000       4.734000 0.3295000       4.104000      0.3702000      0.6301000      0.4956000
  1 1 1       8  -13   16 o    15.85000      0.2962000       15.89000 0.4579000       15.80000      0.3759000      0.9188000E-01  0.5924000
  1 1 1       8  -13   17 o    11.14000      0.2393000       10.98000 0.3572000       11.30000      0.3187000     -0.3145000      0.4787000
  1 1 1       8  -13   18 f    5.673000      0.2526000       5.433000 0.3985000       5.913000      0.3105000     -0.4795000      0.5052000
  1 1 1       8  -13   19 o    5.001000      0.2673000       5.155000 0.4296000       4.847000      0.3181000      0.3081000      0.5346000
  1 1 1       8  -13   20 o    7.568000      0.2372000       7.611000 0.3764000       7.525000      0.2888000      0.8532000E-01  0.4744000
  1 1 1       8  -13   21 f    14.09000      0.2359000       14.02000 0.3493000       14.17000      0.3170000     -0.1507000      0.4717000
  1 1 1       8  -13   22 o    2.714000      0.4578000       2.613000 0.7258000       2.815000      0.5581000     -0.2024000      0.9156000
  1 1 1       8  -13   23 o    2.526000      0.4551000       3.169000 0.6477000       1.882000      0.6394000       1.286000      0.9101000
  1 1 1       8  -13   24 o    2.854000      0.4355000       2.295000 0.7389000       3.414000      0.4612000      -1.119000      0.8710000
  1 1 1       8  -13   25 o    2.746000      0.4170000       2.784000 0.6164000       2.708000      0.5619000      0.7618000E-01  0.8341000
  1 1 1       8  -13   26 o    3.511000      0.3596000       4.055000 0.4654000       2.968000      0.5483000       1.088000      0.7192000
  1 1 1       8  -13   27 o    4.588000      0.2961000       4.508000 0.4611000       4.669000      0.3717000     -0.1601000      0.5923000
  1 1 1       8  -13   28 o    2.684000      0.4840000       3.140000 0.6391000       2.227000      0.7269000      0.9129000      0.9679000
  1 1 1       8  -13   29 o    2.134000      0.5234000       1.938000 0.7380000       2.330000      0.7424000     -0.3927000       1.047000
  1 1 1       8  -13   30 o    4.843000      0.3296000       4.892000 0.4641000       4.794000      0.4682000      0.9734000E-01  0.6592000
  1 1 1       8  -13   31 o    3.522000      0.4764000       2.749000 0.7943000       4.295000      0.5264000      -1.546000      0.9529000
  1 1 1       8  -13   32 o    2.647000      0.5507000       3.011000 0.7661000       2.283000      0.7914000      0.7279000       1.101000
  1 1 1       8  -12    0 o    9.351000      0.1803000       9.356000 0.2496000       9.346000      0.2602000      0.9145000E-02  0.3605000
  1 1 1       8  -12    1 o    4.728000      0.2172000       4.789000 0.2848000       4.668000      0.3279000      0.1207000      0.4343000
  1 1 1       8  -12    2 o    5.109000      0.2131000       5.631000 0.2637000       4.587000      0.3349000       1.044000      0.4263000
  1 1 1       8  -12    3 o    4.733000      0.2485000       4.935000 0.3037000       4.531000      0.3934000      0.4033000      0.4969000
  1 1 1       8  -12    4 o    9.783000      0.3380000       9.693000 0.2811000       9.874000      0.6148000     -0.1806000      0.6760000
  1 1 1       8  -12    5 o    7.282000      0.2110000       7.511000 0.2824000       7.054000      0.3136000      0.4577000      0.4220000
  1 1 1       8  -12    6 o    4.942000      0.2613000       4.926000 0.3535000       4.958000      0.3850000     -0.3155000E-01  0.5227000
  1 1 1       8  -12    7 o    3.346000      0.4426000       3.434000 0.6550000       3.259000      0.5953000      0.1754000      0.8851000
  1 1 1       8  -12    8 o    6.557000      0.2810000       7.030000 0.3779000       6.083000      0.4160000      0.9464000      0.5620000
  1 1 1       8  -12    9 o    2.226000      0.5792000       2.710000 0.9078000       1.741000      0.7195000      0.9689000       1.158000
  1 1 1       8  -12   10 o    3.892000      0.5213000       4.861000 0.6233000       2.923000      0.8357000       1.938000       1.043000
  1 1 1       8  -12   11 o    8.811000      0.2983000       8.598000 0.4467000       9.023000      0.3954000     -0.4246000      0.5966000
  1 1 1       8  -12   12 o    8.566000      0.2647000       8.857000 0.3424000       8.274000      0.4037000      0.5822000      0.5294000
  1 1 1       8  -12   13 o    7.551000      0.2309000       7.352000 0.3220000       7.751000      0.3309000     -0.3990000      0.4617000
  1 1 1       8  -12   14 o    2.193000      0.4134000       2.421000 0.5551000       1.965000      0.6128000      0.4562000      0.8269000
  1 1 1       8  -12   15 o    9.785000      0.2171000       9.625000 0.3182000       9.945000      0.2953000     -0.3198000      0.4341000
  1 1 1       8  -12   16 o    12.79000      0.2465000       12.98000 0.3781000       12.60000      0.3164000      0.3872000      0.4930000
  1 1 1       8  -12   17 o    4.535000      0.2704000       3.976000 0.4562000       5.094000      0.2906000      -1.118000      0.5409000
  1 1 1       8  -12   18 f    6.742000      0.2209000       6.920000 0.3480000       6.565000      0.2723000      0.3552000      0.4419000
  1 1 1       8  -12   19 o    5.526000      0.2585000       5.786000 0.4129000       5.266000      0.3111000      0.5201000      0.5170000
  1 1 1       8  -12   20 o    7.217000      0.2250000       7.161000 0.3505000       7.274000      0.2823000     -0.1129000      0.4501000
  1 1 1       8  -12   21 o    8.564000      0.1932000       8.428000 0.2949000       8.701000      0.2497000     -0.2730000      0.3864000
  1 1 1       8  -12   22 o    3.434000      0.3318000       3.743000 0.4953000       3.126000      0.4416000      0.6162000      0.6636000
  1 1 1       8  -12   23 o    4.591000      0.2558000       4.708000 0.3881000       4.473000      0.3332000      0.2346000      0.5115000
  1 1 1       8  -12   24 o    4.738000      0.2384000       4.548000 0.3703000       4.928000      0.3004000     -0.3804000      0.4769000
  1 1 1       8  -12   25 o    1.076000      0.3591000       1.199000 0.5509000      0.9532000      0.4608000      0.2459000      0.7182000
  1 1 1       8  -12   26 o    6.530000      0.2083000       6.425000 0.3097000       6.635000      0.2787000     -0.2095000      0.4166000
  1 1 1       8  -12   27 o    2.455000      0.4484000       2.776000 0.6057000       2.134000      0.6613000      0.6422000      0.8968000
  1 1 1       8  -12   28 o    2.102000      0.4857000       2.195000 0.6803000       2.010000      0.6934000      0.1848000      0.9714000
  1 1 1       8  -12   29 o    2.111000      0.5114000       1.996000 0.7156000       2.225000      0.7308000     -0.2288000       1.023000
  1 1 1       8  -12   30 o    2.126000      0.5205000       1.693000 0.7057000       2.558000      0.7652000     -0.8644000       1.041000
  1 1 1       8  -12   31 o    2.570000      0.5291000       2.680000 0.7195000       2.460000      0.7760000      0.2199000       1.058000
  1 1 1       8  -12   32 o    3.443000      0.4693000       2.693000 0.7512000       4.194000      0.5626000      -1.501000      0.9385000
  1 1 1       8  -11    0 o    11.30000      0.1866000       11.24000 0.2598000       11.37000      0.2681000     -0.1302000      0.3733000
  1 1 1       8  -11    1 o    15.60000      0.2313000       15.68000 0.3259000       15.51000      0.3281000      0.1738000      0.4625000
  1 1 1       8  -11    2 o    7.316000      0.1754000       7.152000 0.2377000       7.480000      0.2581000     -0.3282000      0.3509000
  1 1 1       8  -11    3 o    1.999000      0.3949000       1.908000 0.5368000       2.090000      0.5792000     -0.1823000      0.7897000
  1 1 1       8  -11    4 o    7.876000      0.1963000       7.730000 0.2579000       8.022000      0.2960000     -0.2919000      0.3926000
  1 1 1       8  -11    5 o    4.611000      0.2419000       5.011000 0.3038000       4.210000      0.3765000      0.8017000      0.4838000
  1 1 1       8  -11    6 o    2.488000      0.4147000       2.071000 0.6331000       2.905000      0.5357000     -0.8345000      0.8293000
  1 1 1       8  -11    7 o    2.642000      0.4849000       2.855000 0.7072000       2.428000      0.6637000      0.4268000      0.9699000
  1 1 1       8  -11    8 o    12.61000      0.2839000       12.76000 0.4247000       12.46000      0.3770000      0.3000000      0.5679000
  1 1 1       8  -11    9 o    8.143000      0.2792000       8.429000 0.4157000       7.857000      0.3727000      0.5720000      0.5583000
  1 1 1       8  -11   10 o    5.554000      0.4031000       5.408000 0.6280000       5.701000      0.5055000     -0.2935000      0.8062000
  1 1 1       8  -11   11 o    1.748000      0.5256000       1.923000 0.7674000       1.572000      0.7183000      0.3508000       1.051000
  1 1 1       8  -11   12 o    5.079000      0.2779000       4.826000 0.3809000       5.332000      0.4049000     -0.5051000      0.5559000
  1 1 1       8  -11   13 o    11.66000      0.2421000       11.34000 0.3561000       11.99000      0.3281000     -0.6485000      0.4843000
  1 1 1       8  -11   14 o    2.407000      0.3532000       2.187000 0.5260000       2.626000      0.4714000     -0.4394000      0.7063000
  1 1 1       8  -11   15 o    7.926000      0.2003000       8.027000 0.2925000       7.824000      0.2736000      0.2032000      0.4005000
  1 1 1       8  -11   16 o    5.646000      0.2074000       5.597000 0.3210000       5.696000      0.2629000     -0.9933000E-01  0.4149000
  1 1 1       8  -11   17 o    2.592000      0.4013000       2.356000 0.6637000       2.827000      0.4512000     -0.4714000      0.8026000
  1 1 1       8  -11   18 f    11.02000      0.2114000       10.84000 0.3207000       11.20000      0.2754000     -0.3580000      0.4227000
  1 1 1       8  -11   19 o    5.290000      0.2534000       5.278000 0.4121000       5.303000      0.2951000     -0.2537000E-01  0.5069000
  1 1 1       8  -11   20 o    9.225000      0.1882000       8.741000 0.2823000       9.709000      0.2491000     -0.9677000      0.3765000
  1 1 1       8  -11   21 o    7.435000      0.1835000       7.526000 0.2819000       7.345000      0.2349000      0.1803000      0.3669000
  1 1 1       8  -11   22 o    4.222000      0.2565000       3.922000 0.4128000       4.522000      0.3045000     -0.6001000      0.5130000
  1 1 1       8  -11   23 o    4.986000      0.2246000       4.502000 0.3689000       5.471000      0.2563000     -0.9693000      0.4492000
  1 1 1       8  -11   24 o    9.428000      0.1811000       9.571000 0.2685000       9.286000      0.2431000      0.2851000      0.3622000
  1 1 1       8  -11   25 o    2.596000      0.3666000       3.430000 0.4225000       1.762000      0.5992000       1.668000      0.7332000
  1 1 1       8  -11   26 o    5.649000      0.2115000       5.691000 0.3003000       5.607000      0.2980000      0.8385000E-01  0.4230000
  1 1 1       8  -11   27 o    4.853000      0.2413000       4.818000 0.3375000       4.888000      0.3449000     -0.6925000E-01  0.4826000
  1 1 1       8  -11   28 o    1.732000      0.4675000       1.660000 0.6487000       1.804000      0.6733000     -0.1440000      0.9349000
  1 1 1       8  -11   29 o    5.826000      0.2533000       6.032000 0.3480000       5.620000      0.3682000      0.4112000      0.5066000
  1 1 1       8  -11   30 o    5.480000      0.2785000       5.642000 0.3784000       5.318000      0.4088000      0.3241000      0.5570000
  1 1 1       8  -11   31 o    3.849000      0.4165000       4.465000 0.4607000       3.234000      0.6940000       1.231000      0.8330000
  1 1 1       8  -11   32 o    2.597000      0.5211000       2.894000 0.6958000       2.301000      0.7760000      0.5936000       1.042000
  1 1 1       8  -11   33 o    4.877000      0.4170000       5.043000 0.4777000       4.711000      0.6837000      0.3317000      0.8341000
  1 1 1       8  -10    0 o    7.945000      0.1629000       8.127000 0.2261000       7.762000      0.2346000      0.3651000      0.3258000
  1 1 1       8  -10    1 o    6.761000      0.1601000       6.778000 0.2209000       6.744000      0.2318000      0.3434000E-01  0.3202000
  1 1 1       8  -10    2 o    15.07000      0.2698000       15.50000 0.3189000       14.65000      0.4353000      0.8505000      0.5396000
  1 1 1       8  -10    3 o    3.237000      0.2554000       3.162000 0.3400000       3.313000      0.3812000     -0.1506000      0.5108000
  1 1 1       8  -10    4 o    8.040000      0.1754000       8.069000 0.2350000       8.012000      0.2604000      0.5732000E-01  0.3508000
  1 1 1       8  -10    5 o    10.63000      0.3482000       10.44000 0.4428000       10.83000      0.5374000     -0.3907000      0.6963000
  1 1 1       8  -10    6 o    13.28000      0.2283000       13.40000 0.3082000       13.17000      0.3368000      0.2251000      0.4566000
  1 1 1       8  -10    7 o    4.277000      0.2997000       4.107000 0.4474000       4.448000      0.3990000     -0.3403000      0.5995000
  1 1 1       8  -10    8 o    6.005000      0.2669000       5.652000 0.4022000       6.357000      0.3510000     -0.7055000      0.5338000
  1 1 1       8  -10    9 o    13.02000      0.2612000       13.33000 0.3562000       12.70000      0.3821000      0.6330000      0.5224000
  1 1 1       8  -10   10 o    5.255000      0.4950000       5.793000 0.7896000       4.717000      0.5973000       1.076000      0.9900000
  1 1 1       8  -10   11 o    3.533000      0.5046000       3.815000 0.6499000       3.250000      0.7721000      0.5649000       1.009000
  1 1 1       8  -10   12 o    3.868000      0.3235000       3.418000 0.4721000       4.319000      0.4424000     -0.9007000      0.6470000
  1 1 1       8  -10   13 o    6.579000      0.2086000       6.596000 0.2890000       6.563000      0.3009000      0.3290000E-01  0.4172000
  1 1 1       8  -10   14 o    2.246000      0.3448000       2.398000 0.4739000       2.094000      0.5010000      0.3040000      0.6896000
  1 1 1       8  -10   15 o    3.026000      0.2929000       2.765000 0.4663000       3.287000      0.3545000     -0.5226000      0.5857000
  1 1 1       8  -10   16 o    7.415000      0.2056000       7.443000 0.3074000       7.388000      0.2731000      0.5571000E-01  0.4112000
  1 1 1       8  -10   17 o    10.98000      0.2140000       10.85000 0.3300000       11.11000      0.2725000     -0.2605000      0.4280000
  1 1 1       8  -10   18 o    10.09000      0.2088000       9.996000 0.3203000       10.19000      0.2681000     -0.1915000      0.4177000
  1 1 1       8  -10   19 o    11.80000      0.2014000       11.83000 0.3023000       11.77000      0.2663000      0.5967000E-01  0.4029000
  1 1 1       8  -10   20 o    9.633000      0.1798000       9.713000 0.2728000       9.553000      0.2343000      0.1598000      0.3596000
  1 1 1       8  -10   21 o    8.586000      0.1763000       8.614000 0.2643000       8.559000      0.2334000      0.5559000E-01  0.3526000
  1 1 1       8  -10   22 o    8.025000      0.1670000       7.984000 0.2458000       8.066000      0.2262000     -0.8241000E-01  0.3341000
  1 1 1       8  -10   23 o    5.246000      0.1849000       5.290000 0.2711000       5.201000      0.2517000      0.8937000E-01  0.3699000
  1 1 1       8  -10   24 o    8.981000      0.1760000       9.194000 0.2582000       8.769000      0.2393000      0.4246000      0.3520000
  1 1 1       8  -10   25 o    6.381000      0.1781000       6.309000 0.2492000       6.453000      0.2545000     -0.1441000      0.3562000
  1 1 1       8  -10   26 o    2.316000      0.3974000       2.235000 0.5644000       2.398000      0.5596000     -0.1628000      0.7948000
  1 1 1       8  -10   27 f    3.137000      0.3493000       3.407000 0.4185000       2.867000      0.5595000      0.5408000      0.6987000
  1 1 1       8  -10   28 o    10.37000      0.2028000       10.32000 0.2891000       10.42000      0.2846000     -0.9709000E-01  0.4056000
  1 1 1       8  -10   29 o    6.252000      0.2210000       6.364000 0.3080000       6.140000      0.3171000      0.2237000      0.4421000
  1 1 1       8  -10   30 o    7.062000      0.2337000       7.116000 0.3399000       7.008000      0.3209000      0.1085000      0.4675000
  1 1 1       8  -10   31 o    2.595000      0.5247000       2.473000 0.7423000       2.716000      0.7418000     -0.2430000       1.049000
  1 1 1       8  -10   32 o    2.159000      0.4998000       1.450000 0.6619000       2.868000      0.7490000      -1.418000      0.9996000
  1 1 1       8  -10   33 o    2.824000      0.7436000       2.824000 0.7436000                  ?              ?              ?              ?
  1 1 1       8  -10   34 o    2.331000      0.6722000       2.364000 0.9492000       2.299000      0.9520000      0.6521000E-01   1.344000
  1 1 1       8   -9    0 o    6.269000      0.1597000       6.172000 0.2228000       6.365000      0.2289000     -0.1928000      0.3194000
  1 1 1       8   -9    1 o    15.52000      0.2266000       15.49000 0.3184000       15.54000      0.3224000     -0.4558000E-01  0.4531000
  1 1 1       8   -9    2 o    10.57000      0.1728000       10.67000 0.2426000       10.46000      0.2461000      0.2184000      0.3455000
  1 1 1       8   -9    3 o    6.586000      0.1611000       6.625000 0.2165000       6.547000      0.2386000      0.7768000E-01  0.3221000
  1 1 1       8   -9    4 o    6.170000      0.1652000       6.428000 0.2173000       5.913000      0.2489000      0.5150000      0.3304000
  1 1 1       8   -9    5 o    13.50000      0.2939000       13.50000 0.2939000                  ?              ?              ?              ?
  1 1 1       8   -9    6 o    7.310000      0.1850000       7.424000 0.2452000       7.195000      0.2771000      0.2284000      0.3700000
  1 1 1       8   -9    7 o    8.476000      0.2986000                  ?       ?   8.476000      0.2986000                  ?              ?
  1 1 1       8   -9    8 o    3.270000      0.3753000       3.824000 0.4906000       2.716000      0.5681000       1.108000      0.7506000
  1 1 1       8   -9    9 o    10.07000      0.2335000       10.34000 0.3273000       9.804000      0.3330000      0.5374000      0.4669000
  1 1 1       8   -9   10 o    6.592000      0.3177000       7.209000 0.4586000       5.975000      0.4399000       1.233000      0.6355000
  1 1 1       8   -9   11 o    5.245000      0.3288000       5.139000 0.4667000       5.352000      0.4632000     -0.2122000      0.6575000
  1 1 1       8   -9   12 o    7.621000      0.2050000       7.696000 0.2900000       7.546000      0.2897000      0.1500000      0.4099000
  1 1 1       8   -9   13 o    6.429000      0.1951000       6.585000 0.2781000       6.273000      0.2738000      0.3122000      0.3902000
  1 1 1       8   -9   14 o    4.152000      0.1963000       4.044000 0.2841000       4.260000      0.2709000     -0.2153000      0.3925000
  1 1 1       8   -9   15 o    2.459000      0.3139000       2.261000 0.5208000       2.658000      0.3504000     -0.3965000      0.6278000
  1 1 1       8   -9   16 o    2.949000      0.3229000       3.092000 0.5163000       2.807000      0.3879000      0.2846000      0.6458000
  1 1 1       8   -9   17 o    11.26000      0.2054000       11.18000 0.3117000       11.33000      0.2675000     -0.1564000      0.4108000
  1 1 1       8   -9   18 o    7.309000      0.1927000       7.425000 0.2997000       7.193000      0.2422000      0.2320000      0.3853000
  1 1 1       8   -9   19 o    14.14000      0.2134000       14.16000 0.3094000       14.12000      0.2939000      0.4027000E-01  0.4268000
  1 1 1       8   -9   20 o    16.65000      0.2415000       16.73000 0.3489000       16.57000      0.3339000      0.1592000      0.4829000
  1 1 1       8   -9   21 o    5.155000      0.1727000       5.179000 0.2550000       5.131000      0.2330000      0.4768000E-01  0.3454000
  1 1 1       8   -9   22 o    8.202000      0.1627000       8.188000 0.2398000       8.216000      0.2198000     -0.2764000E-01  0.3253000
  1 1 1       8   -9   23 o    9.767000      0.1759000       9.795000 0.2577000       9.739000      0.2394000      0.5549000E-01  0.3517000
  1 1 1       8   -9   24 o    5.279000      0.1812000       5.117000 0.2626000       5.442000      0.2496000     -0.3258000      0.3623000
  1 1 1       8   -9   25 o    13.26000      0.2086000       13.23000 0.2989000       13.29000      0.2911000     -0.5247000E-01  0.4172000
  1 1 1       8   -9   26 o    4.558000      0.2183000       4.509000 0.2948000       4.608000      0.3220000     -0.9885000E-01  0.4366000
  1 1 1       8   -9   27 o    3.173000      0.3183000       2.852000 0.4585000       3.493000      0.4417000     -0.6417000      0.6366000
  1 1 1       8   -9   28 o    4.949000      0.2294000       4.813000 0.3073000       5.084000      0.3408000     -0.2711000      0.4589000
  1 1 1       8   -9   29 f    6.125000      0.2230000       6.248000 0.3047000       6.001000      0.3256000      0.2469000      0.4459000
  1 1 1       8   -9   30 f    1.414000      0.4371000       1.520000 0.6380000       1.307000      0.5975000      0.2131000      0.8741000
  1 1 1       8   -9   31 o    6.060000      0.2606000       5.977000 0.3607000       6.143000      0.3763000     -0.1662000      0.5212000
  1 1 1       8   -9   32 o    4.371000      0.5151000       3.622000 0.9402000       5.121000      0.4213000      -1.498000       1.030000
  1 1 1       8   -9   33 o    3.523000      0.4459000       3.589000 0.6313000       3.458000      0.6299000      0.1314000      0.8918000
  1 1 1       8   -9   34 o    3.125000      0.4856000       3.841000 0.5766000       2.410000      0.7816000       1.431000      0.9713000
  1 1 1       8   -8    0 o    9.340000      0.1657000       9.297000 0.2311000       9.384000      0.2374000     -0.8706000E-01  0.3313000
  1 1 1       8   -8    1 o    10.45000      0.1722000       10.54000 0.2419000       10.37000      0.2452000      0.1709000      0.3444000
  1 1 1       8   -8    2 o    7.920000      0.1536000       7.752000 0.2123000       8.089000      0.2220000     -0.3368000      0.3072000
  1 1 1       8   -8    3 o    12.39000      0.2308000       12.16000 0.2603000       12.63000      0.3812000     -0.4763000      0.4616000
  1 1 1       8   -8    4 o    10.86000      0.1765000       10.76000 0.2427000       10.96000      0.2562000     -0.2078000      0.3529000
  1 1 1       8   -8    5 o    12.85000      0.2748000       12.85000 0.2748000                  ?              ?              ?              ?
  1 1 1       8   -8    6 o    11.19000      0.2636000       11.19000 0.2636000                  ?              ?              ?              ?
  1 1 1       8   -8    7 o    10.99000      0.3399000                  ?       ?   10.99000      0.3399000                  ?              ?
  1 1 1       8   -8    8 o    10.92000      0.2532000       11.22000 0.3698000       10.62000      0.3460000      0.5988000      0.5064000
  1 1 1       8   -8    9 f    5.176000      0.2655000       5.371000 0.4078000       4.981000      0.3401000      0.3892000      0.5310000
  1 1 1       8   -8   10 o    20.58000      0.4213000       21.45000 0.6309000       19.71000      0.5587000       1.735000      0.8427000
  1 1 1       8   -8   11 o    11.35000      0.3225000       11.70000 0.5094000       11.00000      0.3957000      0.7005000      0.6451000
  1 1 1       8   -8   12 o    8.011000      0.6966000       8.008000 1.280000       8.013000      0.5505000     -0.4555000E-02   1.393000
  1 1 1       8   -8   13 o    3.365000      0.5842000       3.322000 0.2392000       3.408000       1.144000     -0.8664000E-01   1.168000
  1 1 1       8   -8   14 o    5.292000      0.1600000       5.453000 0.2333000       5.131000      0.2191000      0.3214000      0.3200000
  1 1 1       8   -8   15 o    5.065000      0.1668000       4.918000 0.2532000       5.212000      0.2172000     -0.2942000      0.3336000
  1 1 1       8   -8   16 o    6.032000      0.1677000       5.985000 0.2610000       6.080000      0.2106000     -0.9463000E-01  0.3354000
  1 1 1       8   -8   17 o    3.254000      0.3963000       2.690000 0.4310000       3.818000      0.6652000      -1.128000      0.7927000
  1 1 1       8   -8   18 o    17.04000      0.3451000       17.07000 0.4979000       17.01000      0.4780000      0.6399000E-01  0.6902000
  1 1 1       8   -8   19 o    13.77000      0.2880000       14.20000 0.4254000       13.34000      0.3885000      0.8668000      0.5761000
  1 1 1       8   -8   20 o    13.63000      0.2766000       13.64000 0.3937000       13.63000      0.3886000      0.1452000E-01  0.5532000
  1 1 1       8   -8   21 o    9.602000      0.2147000       9.713000 0.3077000       9.492000      0.2996000      0.2216000      0.4295000
  1 1 1       8   -8   22 o    4.733000      0.2076000       4.509000 0.2830000       4.958000      0.3039000     -0.4487000      0.4153000
  1 1 1       8   -8   23 o    10.48000      0.2016000       10.52000 0.3216000       10.43000      0.2434000      0.9230000E-01  0.4033000
  1 1 1       8   -8   24 o    12.11000      0.1958000       12.18000 0.2835000       12.04000      0.2702000      0.1395000      0.3916000
  1 1 1       8   -8   25 o    7.674000      0.1714000       7.358000 0.2404000       7.991000      0.2443000     -0.6324000      0.3427000
  1 1 1       8   -8   26 o    4.644000      0.2148000       4.632000 0.2871000       4.656000      0.3195000     -0.2449000E-01  0.4296000
  1 1 1       8   -8   27 o    5.573000      0.2123000       5.447000 0.2965000       5.699000      0.3040000     -0.2524000      0.4247000
  1 1 1       8   -8   28 o    2.324000      0.4367000       2.247000 0.5896000       2.400000      0.6443000     -0.1537000      0.8733000
  1 1 1       8   -8   29 o    8.599000      0.2013000       8.535000 0.2830000       8.663000      0.2863000     -0.1277000      0.4026000
  1 1 1       8   -8   30 o    8.230000      0.2138000       8.100000 0.3025000       8.361000      0.3021000     -0.2617000      0.4276000
  1 1 1       8   -8   31 o    7.094000      0.2322000       7.045000 0.3205000       7.144000      0.3360000     -0.9881000E-01  0.4644000
  1 1 1       8   -8   32 o    4.762000      0.3265000       4.949000 0.4256000       4.574000      0.4953000      0.3747000      0.6531000
  1 1 1       8   -8   33 o    3.330000      0.4528000       3.339000 0.6282000       3.320000      0.6522000      0.1917000E-01  0.9055000
  1 1 1       8   -8   34 o    1.573000      0.4890000       1.494000 0.6653000       1.652000      0.7169000     -0.1578000      0.9780000
  1 1 1       8   -7    0 o    10.51000      0.1754000       10.48000 0.2465000       10.54000      0.2496000     -0.5955000E-01  0.3508000
  1 1 1       8   -7    1 o    19.29000      0.2705000       19.21000 0.3802000       19.37000      0.3849000     -0.1641000      0.5410000
  1 1 1       8   -7    2 o    8.101000      0.1513000       8.227000 0.2136000       7.975000      0.2142000      0.2520000      0.3025000
  1 1 1       8   -7    3 o    17.36000      0.2444000       17.29000 0.3435000       17.44000      0.3478000     -0.1490000      0.4888000
  1 1 1       8   -7    4 o    7.645000      0.2071000       7.194000 0.2831000       8.096000      0.3024000     -0.9019000      0.4142000
  1 1 1       8   -7    6 o    11.57000      0.2470000       11.99000 0.3565000       11.14000      0.3419000      0.8554000      0.4939000
  1 1 1       8   -7    7 o    20.57000      0.3460000       21.05000 0.4156000       20.09000      0.5532000      0.9617000      0.6919000
  1 1 1       8   -7    8 o    14.29000      0.4329000       13.25000 0.3126000       15.32000      0.8074000      -2.070000      0.8658000
  1 1 1       8   -7    9 o    8.020000      0.2072000       8.401000 0.2975000       7.639000      0.2885000      0.7623000      0.4144000
  1 1 1       8   -7   10 o    8.370000      0.2370000       8.789000 0.3334000       7.952000      0.3370000      0.8365000      0.4741000
  1 1 1       8   -7   11 o    10.15000      0.2094000       10.16000 0.2918000       10.14000      0.3005000      0.1765000E-01  0.4189000
  1 1 1       8   -7   12 o    13.43000      0.2771000       13.05000 0.3738000       13.82000      0.4092000     -0.7731000      0.5543000
  1 1 1       8   -7   13 o    6.409000      0.1699000       6.771000 0.2404000       6.047000      0.2403000      0.7248000      0.3399000
  1 1 1       8   -7   14 o    3.989000      0.1821000       4.205000 0.2672000       3.773000      0.2474000      0.4312000      0.3641000
  1 1 1       8   -7   15 o    4.503000      0.1917000       4.094000 0.2953000       4.911000      0.2444000     -0.8170000      0.3833000
  1 1 1       8   -7   16 o    1.820000      0.3768000       1.565000 0.5796000       2.075000      0.4816000     -0.5101000      0.7536000
  1 1 1       8   -7   17 o    8.752000      0.2152000       8.861000 0.3175000       8.642000      0.2906000      0.2190000      0.4304000
  1 1 1       8   -7   18 o    12.83000      0.1929000       13.33000 0.2874000       12.32000      0.2574000       1.011000      0.3858000
  1 1 1       8   -7   19 o    8.812000      0.1534000       8.776000 0.2229000       8.848000      0.2107000     -0.7150000E-01  0.3067000
  1 1 1       8   -7   20 o    9.184000      0.1576000       9.294000 0.2309000       9.074000      0.2147000      0.2207000      0.3152000
  1 1 1       8   -7   21 o    6.314000      0.1493000       6.351000 0.2165000       6.277000      0.2058000      0.7413000E-01  0.2987000
  1 1 1       8   -7   22 o    6.409000      0.1526000       6.416000 0.2159000       6.402000      0.2158000      0.1406000E-01  0.3053000
  1 1 1       8   -7   23 o    8.723000      0.2092000       8.730000 0.2865000       8.715000      0.3050000      0.1496000E-01  0.4185000
  1 1 1       8   -7   24 o    9.136000      0.2197000       8.908000 0.2950000       9.365000      0.3256000     -0.4565000      0.4393000
  1 1 1       8   -7   25 o    7.721000      0.2142000       7.960000 0.2892000       7.482000      0.3161000      0.4777000      0.4284000
  1 1 1       8   -7   26 o    4.942000      0.2112000       5.278000 0.2732000       4.607000      0.3221000      0.6708000      0.4224000
  1 1 1       8   -7   27 o    10.84000      0.1982000       10.84000 0.2841000       10.83000      0.2763000      0.9913000E-02  0.3963000
  1 1 1       8   -7   28 o    5.534000      0.2277000       5.097000 0.3173000       5.972000      0.3266000     -0.8758000      0.4554000
  1 1 1       8   -7   29 o    5.303000      0.2457000       5.153000 0.3384000       5.452000      0.3564000     -0.2996000      0.4914000
  1 1 1       8   -7   30 o    9.575000      0.2076000       9.638000 0.2921000       9.511000      0.2950000      0.1269000      0.4152000
  1 1 1       8   -7   31 o    2.388000      0.5085000       2.319000 0.6892000       2.457000      0.7478000     -0.1375000       1.017000
  1 1 1       8   -7   32 o    2.426000      0.5113000       2.145000 0.7167000       2.707000      0.7294000     -0.5621000       1.023000
  1 1 1       8   -7   33 o    2.086000      0.5115000       1.594000 0.6801000       2.578000      0.7641000     -0.9841000       1.023000
  1 1 1       8   -7   34 o    3.072000      0.6562000       2.441000 0.9449000       3.702000      0.9108000      -1.260000       1.312000
  1 1 1       8   -7   35 o    1.611000      0.4906000       1.667000 0.7011000       1.556000      0.6865000      0.1104000      0.9812000
  1 1 1       8   -6    0 o    20.20000      0.2837000       20.14000 0.3994000       20.27000      0.4029000     -0.1277000      0.5673000
  1 1 1       8   -6    1 o    10.08000      0.2417000       9.991000 0.3331000       10.17000      0.3503000     -0.1814000      0.4834000
  1 1 1       8   -6    2 o    21.24000      0.4179000       21.26000 0.5900000       21.22000      0.5920000      0.3537000E-01  0.8358000
  1 1 1       8   -6    3 o    13.78000      0.2503000       13.44000 0.2751000       14.11000      0.4182000     -0.6694000      0.5006000
  1 1 1       8   -6    4 o    13.04000      0.1912000       12.92000 0.2670000       13.17000      0.2737000     -0.2530000      0.3824000
  1 1 1       8   -6    5 o    10.12000      0.1611000       10.09000 0.2237000       10.15000      0.2319000     -0.5936000E-01  0.3222000
  1 1 1       8   -6    6 o    23.03000      0.3857000       23.46000 0.4516000       22.61000      0.6255000      0.8450000      0.7715000
  1 1 1       8   -6    7 o    25.87000      0.5115000       24.80000 0.6832000       26.93000      0.7614000      -2.126000       1.023000
  1 1 1       8   -6    8 o    17.73000      0.4420000       17.31000 0.5382000       18.15000      0.7012000     -0.8376000      0.8839000
  1 1 1       8   -6    9 o    6.448000      0.7575000       6.448000 0.7575000                  ?              ?              ?              ?
  1 1 1       8   -6   10 o    10.35000      0.2153000       10.40000 0.2925000       10.29000      0.3161000      0.1098000      0.4307000
  1 1 1       8   -6   11 o    12.13000      0.2728000       12.19000 0.3805000       12.07000      0.3909000      0.1157000      0.5455000
  1 1 1       8   -6   12 o    11.80000      0.2080000       11.53000 0.3026000       12.07000      0.2853000     -0.5437000      0.4159000
  1 1 1       8   -6   13 o    7.560000      0.1698000       7.737000 0.2486000       7.383000      0.2313000      0.3535000      0.3396000
  1 1 1       8   -6   14 o    5.566000      0.1611000       5.276000 0.2432000       5.856000      0.2112000     -0.5798000      0.3221000
  1 1 1       8   -6   15 o    7.906000      0.1710000       7.985000 0.2612000       7.827000      0.2209000      0.1581000      0.3421000
  1 1 1       8   -6   16 o    3.805000      0.2136000       4.003000 0.3351000       3.608000      0.2651000      0.3952000      0.4273000
  1 1 1       8   -6   17 o    5.461000      0.1508000       5.536000 0.2306000       5.385000      0.1944000      0.1512000      0.3016000
  1 1 1       8   -6   18 o    6.346000      0.1381000       6.408000 0.2032000       6.284000      0.1871000      0.1234000      0.2762000
  1 1 1       8   -6   19 o    14.72000      0.3067000       14.59000 0.4361000       14.85000      0.4312000     -0.2583000      0.6133000
  1 1 1       8   -6   20 o    10.67000      0.2538000       10.83000 0.3733000       10.52000      0.3441000      0.3082000      0.5077000
  1 1 1       8   -6   21 o    4.975000      0.2858000       4.919000 0.4450000       5.031000      0.3588000     -0.1125000      0.5716000
  1 1 1       8   -6   22 o    9.403000      0.2583000       9.691000 0.3868000       9.115000      0.3425000      0.5758000      0.5166000
  1 1 1       8   -6   23 o    1.854000      0.3379000       2.366000 0.4264000       1.343000      0.5242000       1.023000      0.6757000
  1 1 1       8   -6   24 o    11.08000      0.1860000       11.12000 0.2647000       11.05000      0.2614000      0.6540000E-01  0.3720000
  1 1 1       8   -6   25 o    7.244000      0.1750000       7.278000 0.2501000       7.209000      0.2449000      0.6829000E-01  0.3500000
  1 1 1       8   -6   26 o    5.464000      0.2568000       5.880000 0.3007000       5.047000      0.4163000      0.8321000      0.5135000
  1 1 1       8   -6   27 o    4.104000      0.3191000       4.320000 0.3702000       3.887000      0.5199000      0.4329000      0.6383000
  1 1 1       8   -6   28 o    4.478000      0.2545000       4.642000 0.3319000       4.315000      0.3859000      0.3274000      0.5090000
  1 1 1       8   -6   29 o    3.878000      0.3039000       3.886000 0.3984000       3.871000      0.4591000      0.1533000E-01  0.6079000
  1 1 1       8   -6   30 o    4.163000      0.3044000       3.973000 0.4202000       4.353000      0.4405000     -0.3799000      0.6087000
  1 1 1       8   -6   31 o    3.281000      0.4043000       3.381000 0.5330000       3.181000      0.6080000      0.2003000      0.8085000
  1 1 1       8   -6   32 o    2.820000      0.4843000       2.834000 0.6514000       2.806000      0.7169000      0.2817000E-01  0.9687000
  1 1 1       8   -6   33 o    3.403000      0.4291000       3.402000 0.5626000       3.404000      0.6481000     -0.1960000E-02  0.8582000
  1 1 1       8   -6   34 f    3.445000      0.5811000       3.445000 0.5811000                  ?              ?              ?              ?
  1 1 1       8   -6   35 o    1.933000      0.5224000       1.962000 0.7319000       1.904000      0.7457000      0.5821000E-01   1.045000
  1 1 1       8   -5    0 o    30.15000      0.5813000       30.57000 0.8316000       29.73000      0.8123000      0.8386000       1.163000
  1 1 1       8   -5    1 o    14.44000      0.2129000       14.43000 0.2997000       14.46000      0.3026000     -0.3219000E-01  0.4259000
  1 1 1       8   -5    2 f    16.87000      0.2393000       16.97000 0.3403000       16.76000      0.3366000      0.2040000      0.4787000
  1 1 1       8   -5    3 o    22.59000      0.3098000       23.17000 0.4482000       22.01000      0.4277000       1.155000      0.6195000
  1 1 1       8   -5    4 o    12.00000      0.2484000       11.99000 0.3508000       12.01000      0.3519000     -0.2081000E-01  0.4968000
  1 1 1       8   -5    5 o    5.618000      0.1772000       5.597000 0.2460000       5.639000      0.2552000     -0.4142000E-01  0.3545000
  1 1 1       8   -5    6 o    20.40000      0.3954000       20.40000 0.3954000                  ?              ?              ?              ?
  1 1 1       8   -5    7 o    9.118000      0.1551000       9.040000 0.2084000       9.196000      0.2297000     -0.1563000      0.3101000
  1 1 1       8   -5    8 o    14.13000      0.3158000                  ?       ?   14.13000      0.3158000                  ?              ?
  1 1 1       8   -5    9 o    10.10000      0.1944000       10.24000 0.2618000       9.956000      0.2873000      0.2834000      0.3887000
  1 1 1       8   -5   10 o    22.42000      0.4604000       21.56000 0.4293000       23.28000      0.8146000      -1.712000      0.9208000
  1 1 1       8   -5   11 o    12.01000      0.2630000       11.95000 0.3668000       12.08000      0.3769000     -0.1329000      0.5259000
  1 1 1       8   -5   12 o    8.495000      0.4496000       9.234000 0.8684000       7.756000      0.2333000       1.478000      0.8993000
  1 1 1       8   -5   13 o    2.752000      0.2023000       3.027000 0.2691000       2.478000      0.3022000      0.5491000      0.4047000
  1 1 1       8   -5   14 o    8.106000      0.1811000       8.437000 0.2623000       7.775000      0.2499000      0.6620000      0.3623000
  1 1 1       8   -5   15 o    4.764000      0.1770000       4.586000 0.2807000       4.943000      0.2156000     -0.3569000      0.3540000
  1 1 1       8   -5   16 o    7.943000      0.1439000       7.903000 0.2132000       7.983000      0.1933000     -0.8011000E-01  0.2877000
  1 1 1       8   -5   17 o    4.280000      0.1502000       4.294000 0.2253000       4.267000      0.1988000      0.2760000E-01  0.3004000
  1 1 1       8   -5   18 o    6.595000      0.1448000       6.817000 0.2321000       6.374000      0.1732000      0.4430000      0.2895000
  1 1 1       8   -5   19 o    12.35000      0.1828000       12.41000 0.2617000       12.29000      0.2553000      0.1188000      0.3656000
  1 1 1       8   -5   20 o    8.511000      0.1487000       8.403000 0.2110000       8.619000      0.2097000     -0.2159000      0.2974000
  1 1 1       8   -5   21 o    4.511000      0.1640000       4.453000 0.2314000       4.569000      0.2324000     -0.1170000      0.3280000
  1 1 1       8   -5   22 o    5.775000      0.1502000       5.747000 0.2066000       5.802000      0.2180000     -0.5586000E-01  0.3003000
  1 1 1       8   -5   23 o    7.901000      0.2576000       8.038000 0.3843000       7.764000      0.3432000      0.2740000      0.5152000
  1 1 1       8   -5   24 o    12.54000      0.2940000       12.71000 0.4306000       12.37000      0.4004000      0.3339000      0.5880000
  1 1 1       8   -5   25 o    8.131000      0.1715000       8.020000 0.2418000       8.241000      0.2434000     -0.2204000      0.3430000
  1 1 1       8   -5   26 o    8.925000      0.1804000       8.748000 0.2543000       9.103000      0.2559000     -0.3548000      0.3608000
  1 1 1       8   -5   27 o    4.318000      0.2161000       4.188000 0.3032000       4.447000      0.3080000     -0.2584000      0.4322000
  1 1 1       8   -5   28 f    6.796000      0.2571000       7.227000 0.3195000       6.365000      0.4030000      0.8615000      0.5143000
  1 1 1       8   -5   29 o    4.205000      0.3984000       4.734000 0.3942000       3.675000      0.6925000       1.060000      0.7968000
  1 1 1       8   -5   30 o    10.06000      0.2084000       10.29000 0.2929000       9.826000      0.2966000      0.4609000      0.4169000
  1 1 1       8   -5   31 o    7.915000      0.2218000       7.967000 0.3075000       7.862000      0.3197000      0.1048000      0.4435000
  1 1 1       8   -5   32 o    10.67000      0.2189000       10.82000 0.3095000       10.51000      0.3097000      0.3059000      0.4378000
  1 1 1       8   -5   33 o    7.946000      0.2260000       7.871000 0.3179000       8.022000      0.3213000     -0.1517000      0.4520000
  1 1 1       8   -5   34 o    3.056000      0.4497000       3.292000 0.6413000       2.820000      0.6304000      0.4720000      0.8993000
  1 1 1       8   -5   35 o    4.285000      0.3651000       4.767000 0.4488000       3.802000      0.5761000      0.9648000      0.7303000
  1 1 1       8   -5   36 o    2.644000      0.7333000                  ?       ?   2.644000      0.7333000                  ?              ?
  1 1 1       8   -4    0 o    32.74000      0.4438000       32.61000 0.6252000       32.87000      0.6301000     -0.2509000      0.8876000
  1 1 1       8   -4    1 o    11.28000      0.2481000       11.05000 0.3470000       11.51000      0.3548000     -0.4608000      0.4962000
  1 1 1       8   -4    2 o    8.695000      0.2104000       8.687000 0.3014000       8.703000      0.2936000     -0.1522000E-01  0.4208000
  1 1 1       8   -4    3 o    13.58000      0.1979000       13.53000 0.2780000       13.63000      0.2816000     -0.9852000E-01  0.3957000
  1 1 1       8   -4    4 o    19.33000      0.2669000       19.10000 0.3729000       19.56000      0.3819000     -0.4591000      0.5338000
  1 1 1       8   -4    5 o    19.42000      0.2671000       19.35000 0.3755000       19.49000      0.3801000     -0.1486000      0.5343000
  1 1 1       8   -4    6 o    21.93000      0.4215000       21.93000 0.4215000                  ?              ?              ?              ?
  1 1 1       8   -4    7 o    23.18000      0.3150000       22.90000 0.4391000       23.47000      0.4517000     -0.5710000      0.6300000
  1 1 1       8   -4    8 o    18.22000      0.3655000                  ?       ?   18.22000      0.3655000                  ?              ?
  1 1 1       8   -4    9 o    18.45000      0.2713000       18.37000 0.3657000       18.54000      0.4007000     -0.1710000      0.5425000
  1 1 1       8   -4   10 o    10.39000      0.2170000       10.55000 0.3270000       10.23000      0.2854000      0.3214000      0.4340000
  1 1 1       8   -4   11 o    18.04000      0.2564000       17.98000 0.3618000       18.09000      0.3633000     -0.1075000      0.5127000
  1 1 1       8   -4   12 o    5.165000      0.1397000       4.971000 0.1990000       5.359000      0.1962000     -0.3878000      0.2794000
  1 1 1       8   -4   13 o    12.38000      0.2365000       12.24000 0.3207000       12.51000      0.3478000     -0.2659000      0.4731000
  1 1 1       8   -4   14 o    3.989000      0.1676000       4.145000 0.2565000       3.833000      0.2157000      0.3129000      0.3351000
  1 1 1       8   -4   15 o    11.17000      0.2038000       10.99000 0.3291000       11.35000      0.2406000     -0.3647000      0.4077000
  1 1 1       8   -4   16 o    7.343000      0.1586000       7.388000 0.1996000       7.298000      0.2465000      0.9002000E-01  0.3171000
  1 1 1       8   -4   17 f    11.20000      0.1648000       11.21000 0.2359000       11.20000      0.2301000      0.4930000E-02  0.3295000
  1 1 1       8   -4   18 o    4.287000      0.1288000       4.218000 0.1848000       4.357000      0.1795000     -0.1385000      0.2577000
  1 1 1       8   -4   19 o    10.20000      0.1587000       10.28000 0.2273000       10.12000      0.2214000      0.1601000      0.3174000
  1 1 1       8   -4   20 o    1.499000      0.3214000       1.167000 0.4477000       1.831000      0.4611000     -0.6644000      0.6427000
  1 1 1       8   -4   21 o    7.103000      0.1509000       7.063000 0.2109000       7.143000      0.2159000     -0.7982000E-01  0.3018000
  1 1 1       8   -4   22 o    6.990000      0.1558000       6.832000 0.2173000       7.149000      0.2234000     -0.3169000      0.3116000
  1 1 1       8   -4   23 o    7.383000      0.1635000       7.224000 0.2305000       7.542000      0.2319000     -0.3184000      0.3270000
  1 1 1       8   -4   24 o    8.042000      0.2273000       8.273000 0.3950000       7.811000      0.2249000      0.4621000      0.4546000
  1 1 1       8   -4   25 o    6.575000      0.2890000       6.360000 0.4456000       6.790000      0.3681000     -0.4299000      0.5780000
  1 1 1       8   -4   26 o    5.408000      0.1963000       5.320000 0.2761000       5.496000      0.2792000     -0.1765000      0.3927000
  1 1 1       8   -4   27 o    7.865000      0.1881000       8.043000 0.2615000       7.687000      0.2704000      0.3562000      0.3762000
  1 1 1       8   -4   28 o    4.951000      0.2456000       5.150000 0.3178000       4.752000      0.3745000      0.3976000      0.4911000
  1 1 1       8   -4   29 o    3.091000      0.4946000       3.101000 0.6087000       3.081000      0.7798000      0.2024000E-01  0.9892000
  1 1 1       8   -4   30 o    9.476000      0.2757000       9.602000 0.3602000       9.350000      0.4175000      0.2519000      0.5515000
  1 1 1       8   -4   31 o    4.733000      0.2902000       4.584000 0.4156000       4.883000      0.4051000     -0.2986000      0.5804000
  1 1 1       8   -4   32 o    6.062000      0.2558000       6.132000 0.3464000       5.992000      0.3765000      0.1395000      0.5116000
  1 1 1       8   -4   33 f    3.027000      0.4672000       3.378000 0.5825000       2.676000      0.7307000      0.7021000      0.9345000
  1 1 1       8   -4   34 o    3.849000      0.3688000       3.803000 0.5323000       3.895000      0.5106000     -0.9129000E-01  0.7376000
  1 1 1       8   -4   35 o    4.471000      0.3373000       4.568000 0.4537000       4.374000      0.4991000      0.1941000      0.6745000
  1 1 1       8   -4   36 o    2.109000      0.4372000       1.153000 0.5566000       3.064000      0.6744000      -1.910000      0.8744000
  1 1 1       8   -3    0 o    11.91000      0.2600000       11.97000 0.3720000       11.86000      0.3634000      0.1172000      0.5200000
  1 1 1       8   -3    1 o    17.11000      0.2429000       16.90000 0.3392000       17.32000      0.3478000     -0.4218000      0.4858000
  1 1 1       8   -3    2 o    10.63000      0.1669000       10.75000 0.2376000       10.50000      0.2346000      0.2435000      0.3339000
  1 1 1       8   -3    3 o    10.38000      0.1625000       10.51000 0.2312000       10.26000      0.2285000      0.2483000      0.3250000
  1 1 1       8   -3    4 o    9.164000      0.1478000       9.252000 0.2081000       9.077000      0.2099000      0.1750000      0.2956000
  1 1 1       8   -3    5 o    16.64000      0.2313000       16.64000 0.3266000       16.64000      0.3277000     -0.4902000E-02  0.4627000
  1 1 1       8   -3    6 f    32.72000      0.4396000       32.59000 0.6190000       32.86000      0.6244000     -0.2702000      0.8792000
  1 1 1       8   -3    7 o    11.93000      0.2090000       12.30000 0.2466000       11.56000      0.3376000      0.7352000      0.4181000
  1 1 1       8   -3    8 f    10.76000      0.1635000       10.67000 0.2226000       10.86000      0.2396000     -0.1958000      0.3270000
  1 1 1       8   -3    9 o    22.47000      0.3720000       22.79000 0.4409000       22.15000      0.5992000      0.6432000      0.7439000
  1 1 1       8   -3   10 o    15.04000      0.2374000       15.29000 0.3118000       14.79000      0.3580000      0.4936000      0.4747000
  1 1 1       8   -3   11 o    17.06000      0.2860000       16.89000 0.4622000       17.23000      0.3371000     -0.3412000      0.5721000
  1 1 1       8   -3   12 o    12.98000      0.2196000       12.47000 0.3426000       13.48000      0.2747000      -1.013000      0.4392000
  1 1 1       8   -3   13 o    5.660000      0.8221000       5.602000 1.633000       5.719000      0.1880000     -0.1169000       1.644000
  1 1 1       8   -3   14 o    9.213000      0.2579000       9.594000 0.4728000       8.833000      0.2064000      0.7607000      0.5159000
  1 1 1       8   -3   15 o    12.44000      0.1779000       12.49000 0.2554000       12.38000      0.2477000      0.1146000      0.3558000
  1 1 1       8   -3   16 o    11.60000      0.1669000       11.39000 0.2341000       11.81000      0.2378000     -0.4150000      0.3337000
  1 1 1       8   -3   17 o    9.680000      0.1473000       9.483000 0.2066000       9.877000      0.2099000     -0.3937000      0.2945000
  1 1 1       8   -3   18 o   0.9835000      0.2800000      0.8717000 0.3691000       1.095000      0.4211000     -0.2236000      0.5600000
  1 1 1       8   -3   19 o    6.434000      0.1345000       6.447000 0.1903000       6.422000      0.1901000      0.2552000E-01  0.2690000
  1 1 1       8   -3   20 o    7.563000      0.1628000       7.376000 0.2527000       7.749000      0.2054000     -0.3730000      0.3256000
  1 1 1       8   -3   21 o    7.933000      0.1521000       7.884000 0.2141000       7.983000      0.2161000     -0.9949000E-01  0.3042000
  1 1 1       8   -3   22 o    4.256000      0.1808000       4.281000 0.2454000       4.232000      0.2656000      0.4938000E-01  0.3616000
  1 1 1       8   -3   23 o    6.625000      0.1633000       6.695000 0.2248000       6.554000      0.2370000      0.1414000      0.3267000
  1 1 1       8   -3   24 o    5.821000      0.1769000       5.581000 0.2504000       6.061000      0.2499000     -0.4803000      0.3538000
  1 1 1       8   -3   25 o    11.80000      0.1941000       11.84000 0.2755000       11.76000      0.2735000      0.7503000E-01  0.3883000
  1 1 1       8   -3   26 o    3.831000      0.4332000       3.195000 0.7335000       4.467000      0.4613000      -1.272000      0.8665000
  1 1 1       8   -3   27 o    18.85000      0.2723000       19.03000 0.3897000       18.67000      0.3802000      0.3652000      0.5445000
  1 1 1       8   -3   28 o    6.725000      0.2029000       6.577000 0.2870000       6.872000      0.2869000     -0.2954000      0.4058000
  1 1 1       8   -3   29 o    6.530000      0.2879000       6.454000 0.3614000       6.606000      0.4482000     -0.1516000      0.5757000
  1 1 1       8   -3   30 o    9.326000      0.2858000       9.482000 0.3725000       9.170000      0.4336000      0.3120000      0.5716000
  1 1 1       8   -3   31 o    5.585000      0.2623000       5.513000 0.3681000       5.656000      0.3737000     -0.1427000      0.5246000
  1 1 1       8   -3   32 o    2.716000      0.4831000       2.843000 0.6497000       2.589000      0.7150000      0.2543000      0.9662000
  1 1 1       8   -3   33 o    5.700000      0.2687000       5.309000 0.3961000       6.092000      0.3632000     -0.7830000      0.5374000
  1 1 1       8   -3   34 o    2.532000      0.5047000       2.873000 0.6780000       2.192000      0.7478000      0.6811000       1.009000
  1 1 1       8   -3   35 o    3.056000      0.4647000       3.464000 0.5659000       2.648000      0.7372000      0.8156000      0.9293000
  1 1 1       8   -3   36 o    2.097000      0.5043000       2.365000 0.7127000       1.829000      0.7136000      0.5358000       1.009000
  1 1 1       8   -2    0 o    16.80000      0.2397000       16.75000 0.3384000       16.84000      0.3396000     -0.8815000E-01  0.4794000
  1 1 1       8   -2    1 o    9.804000      0.1611000       9.826000 0.2276000       9.782000      0.2280000      0.4438000E-01  0.3221000
  1 1 1       8   -2    2 o    26.46000      0.3599000       26.56000 0.5106000       26.35000      0.5073000      0.2047000      0.7198000
  1 1 1       8   -2    3 o    16.24000      0.2287000       16.17000 0.3222000       16.30000      0.3246000     -0.1245000      0.4574000
  1 1 1       8   -2    4 o    17.84000      0.2472000       17.84000 0.3496000       17.84000      0.3497000     -0.1554000E-02  0.4945000
  1 1 1       8   -2    5 o    8.466000      0.1370000       8.515000 0.1938000       8.417000      0.1936000      0.9753000E-01  0.2739000
  1 1 1       8   -2    6 o    6.582000      0.1184000       6.695000 0.1672000       6.470000      0.1678000      0.2257000      0.2369000
  1 1 1       8   -2    7 o    29.61000      0.3985000       29.71000 0.5643000       29.51000      0.5628000      0.2069000      0.7970000
  1 1 1       8   -2    8 o    18.84000      0.2575000       18.71000 0.3596000       18.97000      0.3687000     -0.2612000      0.5151000
  1 1 1       8   -2    9 o    14.51000      0.2110000       14.07000 0.2792000       14.96000      0.3164000     -0.8960000      0.4220000
  1 1 1       8   -2   10 o    14.31000      0.2774000       14.22000 0.3900000       14.41000      0.3945000     -0.1920000      0.5548000
  1 1 1       8   -2   11 o    12.33000      0.1728000       12.19000 0.2414000       12.46000      0.2473000     -0.2761000      0.3455000
  1 1 1       8   -2   12 f    16.34000      0.2703000       15.94000 0.4325000       16.74000      0.3242000     -0.8005000      0.5405000
  1 1 1       8   -2   13 o    12.10000      0.4539000       12.77000 0.8144000       11.43000      0.4011000       1.343000      0.9078000
  1 1 1       8   -2   14 o    5.006000      0.1394000       5.143000 0.2211000       4.868000      0.1699000      0.2752000      0.2788000
  1 1 1       8   -2   15 o    14.67000      0.2031000       14.50000 0.2857000       14.84000      0.2886000     -0.3362000      0.4061000
  1 1 1       8   -2   16 o    14.19000      0.1975000       13.99000 0.2763000       14.39000      0.2824000     -0.4014000      0.3951000
  1 1 1       8   -2   17 o    8.380000      0.1345000       8.405000 0.1913000       8.356000      0.1890000      0.4852000E-01  0.2689000
  1 1 1       8   -2   18 o    5.454000      0.1264000       5.586000 0.1757000       5.322000      0.1819000      0.2640000      0.2529000
  1 1 1       8   -2   19 o    10.18000      0.1587000       10.28000 0.2274000       10.07000      0.2214000      0.2092000      0.3174000
  1 1 1       8   -2   20 o    13.93000      0.2024000       13.79000 0.2840000       14.06000      0.2883000     -0.2638000      0.4047000
  1 1 1       8   -2   21 o    2.243000      0.2958000       1.870000 0.4525000       2.617000      0.3813000     -0.7473000      0.5917000
  1 1 1       8   -2   22 o    3.777000      0.1991000       3.488000 0.2897000       4.067000      0.2733000     -0.5788000      0.3983000
  1 1 1       8   -2   23 o    9.956000      0.1723000       9.870000 0.2401000       10.04000      0.2471000     -0.1735000      0.3445000
  1 1 1       8   -2   24 o    6.474000      0.1688000       6.761000 0.2319000       6.187000      0.2453000      0.5735000      0.3375000
  1 1 1       8   -2   25 o    13.98000      0.2149000       13.96000 0.3041000       14.00000      0.3037000     -0.4379000E-01  0.4298000
  1 1 1       8   -2   26 o    14.93000      0.3250000       15.16000 0.4734000       14.71000      0.4454000      0.4445000      0.6500000
  1 1 1       8   -2   27 o    10.78000      0.2819000       11.32000 0.4206000       10.24000      0.3755000       1.079000      0.5638000
  1 1 1       8   -2   28 o    7.531000      0.1958000       7.622000 0.2735000       7.440000      0.2804000      0.1825000      0.3917000
  1 1 1       8   -2   29 f    7.463000      0.2074000       7.515000 0.2931000       7.410000      0.2935000      0.1052000      0.4148000
  1 1 1       8   -2   30 o    8.440000      0.3004000       8.843000 0.3747000       8.037000      0.4695000      0.8063000      0.6007000
  1 1 1       8   -2   31 o    2.755000      0.5887000       2.544000 0.7808000       2.965000      0.8812000     -0.4209000       1.177000
  1 1 1       8   -2   32 o    2.280000      0.5020000       2.216000 0.7133000       2.345000      0.7066000     -0.1283000       1.004000
  1 1 1       8   -2   33 o    2.956000      0.4615000       3.421000 0.5757000       2.491000      0.7216000      0.9302000      0.9231000
  1 1 1       8   -2   34 o    2.251000      0.4947000       1.815000 0.7072000       2.687000      0.6918000     -0.8722000      0.9893000
  1 1 1       8   -2   35 f    4.098000      0.5087000       4.098000 0.5087000                  ?              ?              ?              ?
  1 1 1       8   -2   36 o    1.788000      0.5030000       1.810000 0.7221000       1.767000      0.7004000      0.4297000E-01   1.006000
  1 1 1       8   -1    0 o    34.26000      0.4625000       33.83000 0.6464000       34.68000      0.6617000     -0.8548000      0.9251000
  1 1 1       8   -1    1 o    15.11000      0.2163000       15.37000 0.3113000       14.85000      0.3005000      0.5247000      0.4327000
  1 1 1       8   -1    2 o    13.72000      0.1980000       13.42000 0.2757000       14.01000      0.2842000     -0.5933000      0.3960000
  1 1 1       8   -1    3 o    18.42000      0.2557000       18.60000 0.3645000       18.24000      0.3586000      0.3635000      0.5113000
  1 1 1       8   -1    4 o    14.59000      0.2062000       14.57000 0.2912000       14.60000      0.2921000     -0.2173000E-01  0.4125000
  1 1 1       8   -1    5 o    22.64000      0.3082000       22.49000 0.4323000       22.79000      0.4394000     -0.2989000      0.6164000
  1 1 1       8   -1    6 o    28.17000      0.3795000       28.26000 0.5381000       28.09000      0.5354000      0.1641000      0.7591000
  1 1 1       8   -1    7 o    13.84000      0.2719000       13.84000 0.2719000                  ?              ?              ?              ?
  1 1 1       8   -1    8 o    10.94000      0.1550000       11.01000 0.2195000       10.86000      0.2189000      0.1533000      0.3100000
  1 1 1       8   -1   10 o    9.119000      0.1841000       8.996000 0.2564000       9.241000      0.2642000     -0.2443000      0.3681000
  1 1 1       8   -1   11 o    7.921000      0.1406000       8.248000 0.2339000       7.595000      0.1563000      0.6538000      0.2813000
  1 1 1       8   -1   12 o    11.35000      0.1942000       11.46000 0.3176000       11.23000      0.2234000      0.2305000      0.3883000
  1 1 1       8   -1   13 o    2.712000      0.1788000       2.739000 0.2817000       2.686000      0.2202000      0.5250000E-01  0.3575000
  1 1 1       8   -1   14 o    4.596000      0.1376000       4.430000 0.2362000       4.762000      0.1412000     -0.3318000      0.2752000
  1 1 1       8   -1   15 o    3.571000      0.1009000       3.478000 0.1404000       3.665000      0.1450000     -0.1874000      0.2018000
  1 1 1       8   -1   16 o    10.60000      0.1541000       10.58000 0.2187000       10.63000      0.2171000     -0.4614000E-01  0.3082000
  1 1 1       8   -1   17 o    7.154000      0.1256000       7.141000 0.1760000       7.167000      0.1793000     -0.2522000E-01  0.2512000
  1 1 1       8   -1   18 o    4.851000      0.1293000       4.820000 0.1738000       4.883000      0.1916000     -0.6322000E-01  0.2587000
  1 1 1       8   -1   19 o    5.572000      0.1359000       5.768000 0.1877000       5.376000      0.1966000      0.3915000      0.2718000
  1 1 1       8   -1   20 o    6.591000      0.1421000       6.420000 0.1980000       6.761000      0.2038000     -0.3418000      0.2841000
  1 1 1       8   -1   21 o    10.47000      0.1684000       10.46000 0.2373000       10.48000      0.2392000     -0.1781000E-01  0.3369000
  1 1 1       8   -1   22 o    8.288000      0.1578000       8.322000 0.2222000       8.254000      0.2242000      0.6755000E-01  0.3156000
  1 1 1       8   -1   23 o    10.16000      0.1725000       10.05000 0.2407000       10.27000      0.2471000     -0.2104000      0.3450000
  1 1 1       8   -1   24 o    13.41000      0.2062000       13.40000 0.2907000       13.43000      0.2926000     -0.2545000E-01  0.4124000
  1 1 1       8   -1   25 o    5.037000      0.1938000       4.706000 0.2778000       5.367000      0.2702000     -0.6611000      0.3876000
  1 1 1       8   -1   26 o    19.03000      0.2725000       18.99000 0.3845000       19.06000      0.3863000     -0.6824000E-01  0.5450000
  1 1 1       8   -1   27 o    5.594000      0.2982000       5.661000 0.4577000       5.527000      0.3825000      0.1347000      0.5965000
  1 1 1       8   -1   28 f    13.81000      0.2206000       13.72000 0.3115000       13.90000      0.3123000     -0.1864000      0.4411000
  1 1 1       8   -1   29 o    6.436000      0.2132000       6.214000 0.3058000       6.659000      0.2972000     -0.4446000      0.4264000
  1 1 1       8   -1   30 o    5.882000      0.3480000       6.042000 0.4467000       5.722000      0.5337000      0.3200000      0.6959000
  1 1 1       8   -1   31 f    3.072000      0.5654000       3.434000 0.6841000       2.711000      0.9003000      0.7231000       1.131000
  1 1 1       8   -1   32 o    3.928000      0.3403000       3.915000 0.4837000       3.940000      0.4788000     -0.2556000E-01  0.6806000
  1 1 1       8   -1   33 o    2.429000      0.4904000       2.844000 0.6708000       2.015000      0.7155000      0.8293000      0.9808000
  1 1 1       8   -1   34 o    1.777000      0.4964000       1.661000 0.6870000       1.892000      0.7167000     -0.2305000      0.9928000
  1 1 1       8   -1   35 o    4.757000      0.3235000       4.922000 0.4068000       4.592000      0.5030000      0.3295000      0.6469000
  1 1 1       8   -1   36 o    1.539000      0.4537000       1.060000 0.5196000       2.018000      0.7438000     -0.9584000      0.9073000
  1 1 1       8   -1   37 o    2.638000      0.7291000                  ?       ?   2.638000      0.7291000                  ?              ?
  1 1 1       8    0    0 o    19.65000      0.2727000       19.70000 0.3868000       19.60000      0.3843000      0.1044000      0.5453000
  1 1 1       8    0    1 o    5.688000      0.1570000       5.765000 0.2586000       5.611000      0.1781000      0.1539000      0.3140000
  1 1 1       8    0    2 o    12.00000      0.1765000       11.98000 0.2493000       12.02000      0.2500000     -0.3806000E-01  0.3530000
  1 1 1       8    0    3 o    9.429000      0.1811000       9.440000 0.2970000       9.417000      0.2074000      0.2363000E-01  0.3622000
  1 1 1       8    0    4 o    8.220000      0.1324000       8.054000 0.1863000       8.386000      0.1882000     -0.3313000      0.2648000
  1 1 1       8    0    5 o    25.21000      0.3408000       24.75000 0.4736000       25.67000      0.4901000     -0.9170000      0.6815000
  1 1 1       8    0    6 o    18.80000      0.2564000       18.78000 0.3623000       18.81000      0.3629000     -0.3602000E-01  0.5128000
  1 1 1       8    0    7 o    19.54000      0.3754000       19.54000 0.3754000                  ?              ?              ?              ?
  1 1 1       8    0    8 o    11.00000      0.1878000       10.86000 0.3027000       11.14000      0.2224000     -0.2761000      0.3757000
  1 1 1       8    0    9 o    13.31000      0.2606000                  ?       ?   13.31000      0.2606000                  ?              ?
  1 1 1       8    0   10 o    9.509000      0.1923000       9.585000 0.3040000       9.432000      0.2356000      0.1531000      0.3846000
  1 1 1       8    0   11 f    10.84000      0.1831000       11.20000 0.3049000       10.48000      0.2030000      0.7221000      0.3663000
  1 1 1       8    0   12 o    15.17000      0.2526000       15.25000 0.4145000       15.08000      0.2889000      0.1656000      0.5052000
  1 1 1       8    0   13 o    16.49000      0.3173000       16.32000 0.4445000       16.66000      0.4529000     -0.3393000      0.6346000
  1 1 1       8    0   14 o    8.250000      0.1752000       8.011000 0.2440000       8.489000      0.2516000     -0.4779000      0.3505000
  1 1 1       8    0   15 o    8.828000      0.1614000       8.475000 0.2613000       9.182000      0.1895000     -0.7071000      0.3228000
  1 1 1       8    0   16 o    11.73000      0.2057000       11.54000 0.3353000       11.92000      0.2385000     -0.3805000      0.4115000
  1 1 1       8    0   17 o    2.812000      0.1590000       2.899000 0.2065000       2.725000      0.2417000      0.1742000      0.3180000
  1 1 1       8    0   18 o    7.241000      0.1310000       7.337000 0.1840000       7.145000      0.1866000      0.1913000      0.2621000
  1 1 1       8    0   19 o    5.648000      0.1597000       5.430000 0.1877000       5.865000      0.2585000     -0.4354000      0.3195000
  1 1 1       8    0   20 o    8.382000      0.1470000       8.380000 0.2053000       8.383000      0.2105000     -0.2773000E-02  0.2940000
  1 1 1       8    0   21 o    3.714000      0.1894000       3.661000 0.2637000       3.768000      0.2720000     -0.1064000      0.3789000
  1 1 1       8    0   22 o    7.285000      0.1542000       7.180000 0.2172000       7.391000      0.2188000     -0.2105000      0.3083000
  1 1 1       8    0   23 o    3.030000      0.2557000       3.152000 0.3271000       2.907000      0.3931000      0.2449000      0.5114000
  1 1 1       8    0   24 o    7.994000      0.1661000       8.106000 0.2299000       7.883000      0.2398000      0.2232000      0.3323000
  1 1 1       8    0   25 o    5.539000      0.1875000       5.589000 0.2584000       5.489000      0.2717000      0.1003000      0.3750000
  1 1 1       8    0   26 o    15.10000      0.2292000       15.00000 0.3202000       15.21000      0.3280000     -0.2032000      0.4583000
  1 1 1       8    0   27 o    13.75000      0.3059000       13.34000 0.4320000       14.16000      0.4333000     -0.8253000      0.6119000
  1 1 1       8    0   28 o    3.517000      0.2910000       3.331000 0.4316000       3.703000      0.3904000     -0.3720000      0.5820000
  1 1 1       8    0   29 o    9.401000      0.1973000       9.642000 0.2772000       9.161000      0.2809000      0.4814000      0.3947000
  1 1 1       8    0   30 o    7.447000      0.3176000       8.047000 0.3918000       6.848000      0.5000000       1.199000      0.6352000
  1 1 1       8    0   31 o    5.218000      0.4247000       5.767000 0.4770000       4.669000      0.7028000       1.098000      0.8494000
  1 1 1       8    0   32 o    2.480000      0.4767000       2.667000 0.6676000       2.293000      0.6806000      0.3732000      0.9533000
  1 1 1       8    0   33 o    5.521000      0.2619000       5.650000 0.3734000       5.393000      0.3674000      0.2569000      0.5239000
  1 1 1       8    0   34 o    1.885000      0.4747000       1.340000 0.6156000       2.429000      0.7228000      -1.089000      0.9495000
  1 1 1       8    0   35 o    3.961000      0.3639000       4.248000 0.4877000       3.673000      0.5401000      0.5750000      0.7278000
  1 1 1       8    0   36 o    3.488000      0.4073000       3.396000 0.5870000       3.580000      0.5649000     -0.1844000      0.8146000
  1 1 1       8    0   37 o    4.112000      0.3885000       3.257000 0.6561000       4.968000      0.4162000      -1.711000      0.7770000
  1 1 1       8    1    0 o    7.454000      0.1362000       7.499000 0.1928000       7.409000      0.1925000      0.9017000E-01  0.2725000
  1 1 1       8    1    1 o    2.994000      0.1909000       2.796000 0.2337000       3.192000      0.3018000     -0.3965000      0.3817000
  1 1 1       8    1    2 o    19.42000      0.2674000       19.37000 0.3771000       19.46000      0.3793000     -0.9004000E-01  0.5349000
  1 1 1       8    1    3 f    5.381000      0.1152000       5.247000 0.1621000       5.516000      0.1638000     -0.2692000      0.2305000
  1 1 1       8    1    4 o    20.22000      0.2758000       20.20000 0.3898000       20.23000      0.3903000     -0.2486000E-01  0.5516000
  1 1 1       8    1    5 o    29.90000      0.4020000       29.94000 0.5693000       29.85000      0.5677000      0.8955000E-01  0.8040000
  1 1 1       8    1    6 o    5.168000      0.1014000       4.984000 0.1411000       5.353000      0.1456000     -0.3686000      0.2028000
  1 1 1       8    1    7 o    37.80000      0.6215000       38.07000 1.020000       37.53000      0.7109000      0.5315000       1.243000
  1 1 1       8    1    8 o    8.239000      0.1712000       7.992000 0.2358000       8.485000      0.2482000     -0.4930000      0.3424000
  1 1 1       8    1    9 o    53.66000       1.015000       53.97000 1.445000       53.35000       1.427000      0.6238000       2.030000
  1 1 1       8    1   15 o    7.793000      0.1437000       7.695000 0.2329000       7.892000      0.1685000     -0.1964000      0.2874000
  1 1 1       8    1   16 o    15.73000      0.2648000       15.74000 0.4328000       15.71000      0.3053000      0.2691000E-01  0.5296000
  1 1 1       8    1   17 f    5.846000      0.1155000       5.793000 0.1604000       5.899000      0.1663000     -0.1064000      0.2311000
  1 1 1       8    1   18 o    6.784000      0.1261000       6.751000 0.1754000       6.816000      0.1812000     -0.6520000E-01  0.2521000
  1 1 1       8    1   19 o    7.911000      0.1387000       7.933000 0.1933000       7.888000      0.1990000      0.4491000E-01  0.2774000
  1 1 1       8    1   20 o    10.54000      0.1651000       10.59000 0.2314000       10.48000      0.2356000      0.1158000      0.3302000
  1 1 1       8    1   21 o    4.328000      0.1641000       4.337000 0.2311000       4.318000      0.2329000      0.1933000E-01  0.3281000
  1 1 1       8    1   22 o    4.331000      0.1830000       4.313000 0.2624000       4.349000      0.2552000     -0.3638000E-01  0.3660000
  1 1 1       8    1   23 o    11.86000      0.1870000       12.05000 0.2659000       11.67000      0.2629000      0.3768000      0.3740000
  1 1 1       8    1   24 o    1.470000      0.3849000       1.492000 0.5417000       1.448000      0.5470000      0.4469000E-01  0.7699000
  1 1 1       8    1   25 o    15.28000      0.2276000       15.45000 0.3229000       15.12000      0.3209000      0.3323000      0.4552000
  1 1 1       8    1   26 o    12.95000      0.2061000       12.92000 0.2897000       12.98000      0.2932000     -0.5279000E-01  0.4122000
  1 1 1       8    1   27 o    18.43000      0.3751000       18.43000 0.5341000       18.43000      0.5270000      0.7935000E-02  0.7503000
  1 1 1       8    1   28 o    5.262000      0.2214000       5.390000 0.3064000       5.134000      0.3195000      0.2567000      0.4427000
  1 1 1       8    1   29 o    5.511000      0.2269000       5.446000 0.3270000       5.576000      0.3146000     -0.1296000      0.4538000
  1 1 1       8    1   30 o    12.33000      0.3127000       12.15000 0.4262000       12.51000      0.4576000     -0.3598000      0.6253000
  1 1 1       8    1   31 o    7.953000      0.3243000       8.034000 0.4263000       7.872000      0.4889000      0.1620000      0.6487000
  1 1 1       8    1   32 o    6.936000      0.2285000       6.898000 0.3252000       6.973000      0.3212000     -0.7447000E-01  0.4570000
  1 1 1       8    1   33 o    9.995000      0.2185000       9.901000 0.3082000       10.09000      0.3097000     -0.1875000      0.4369000
  1 1 1       8    1   34 o    3.328000      0.4300000       3.568000 0.5825000       3.088000      0.6328000      0.4795000      0.8600000
  1 1 1       8    1   35 o    4.935000      0.2998000       5.145000 0.4108000       4.726000      0.4367000      0.4184000      0.5995000
  1 1 1       8    1   36 o    4.653000      0.3128000       4.613000 0.4471000       4.694000      0.4375000     -0.8171000E-01  0.6255000
  1 1 1       8    1   37 o    2.978000      0.4736000       3.003000 0.6923000       2.952000      0.6466000      0.5084000E-01  0.9473000
  1 1 1       8    2    0 o    18.73000      0.2602000       18.80000 0.3696000       18.66000      0.3665000      0.1438000      0.5205000
  1 1 1       8    2    1 o    20.36000      0.2800000       20.17000 0.3926000       20.55000      0.3992000     -0.3771000      0.5599000
  1 1 1       8    2    2 o    22.21000      0.3033000       21.93000 0.4237000       22.48000      0.4340000     -0.5500000      0.6065000
  1 1 1       8    2    3 o    2.788000      0.1500000       2.734000 0.2116000       2.842000      0.2126000     -0.1071000      0.2999000
  1 1 1       8    2    4 o    18.88000      0.2585000       18.74000 0.3631000       19.02000      0.3679000     -0.2838000      0.5169000
  1 1 1       8    2    5 o    12.67000      0.1785000       12.71000 0.2534000       12.62000      0.2515000      0.9388000E-01  0.3570000
  1 1 1       8    2    6 o    12.54000      0.1762000       12.54000 0.2497000       12.55000      0.2487000     -0.1232000E-01  0.3524000
  1 1 1       8    2    7 o    25.55000      0.4220000       25.81000 0.6938000       25.28000      0.4805000      0.5245000      0.8440000
  1 1 1       8    2    8 o    6.573000      0.1242000       6.595000 0.2023000       6.552000      0.1442000      0.4380000E-01  0.2484000
  1 1 1       8    2   15 o    14.46000      0.2429000       14.54000 0.3972000       14.38000      0.2798000      0.1623000      0.4859000
  1 1 1       8    2   16 o    12.21000      0.2119000       12.53000 0.3495000       11.89000      0.2398000      0.6340000      0.4238000
  1 1 1       8    2   17 o    6.174000      0.1200000       6.436000 0.1623000       5.912000      0.1768000      0.5231000      0.2400000
  1 1 1       8    2   18 o    5.285000      0.1984000                  ?       ?   5.285000      0.1984000                  ?              ?
  1 1 1       8    2   19 o    2.302000      0.2679000       2.813000 0.2500000       1.790000      0.4739000       1.023000      0.5358000
  1 1 1       8    2   20 o    6.480000      0.1794000       6.892000 0.1926000       6.067000      0.3028000      0.8253000      0.3589000
  1 1 1       8    2   21 o    5.849000      0.1525000       5.625000 0.2000000       6.073000      0.2304000     -0.4477000      0.3051000
  1 1 1       8    2   22 o    12.92000      0.2437000       12.98000 0.2755000       12.87000      0.4019000      0.1153000      0.4873000
  1 1 1       8    2   23 o    9.126000      0.1653000       9.213000 0.2328000       9.039000      0.2346000      0.1749000      0.3305000
  1 1 1       8    2   24 o    7.922000      0.1641000       7.819000 0.2292000       8.025000      0.2348000     -0.2060000      0.3281000
  1 1 1       8    2   25 o    9.468000      0.1753000       9.529000 0.2466000       9.406000      0.2491000      0.1227000      0.3505000
  1 1 1       8    2   26 o    12.87000      0.2041000       12.94000 0.2889000       12.79000      0.2884000      0.1510000      0.4082000
  1 1 1       8    2   27 o    16.18000      0.3370000       15.90000 0.4753000       16.46000      0.4779000     -0.5531000      0.6740000
  1 1 1       8    2   28 o    3.136000      0.3326000       3.774000 0.3916000       2.499000      0.5378000       1.275000      0.6652000
  1 1 1       8    2   29 o    5.445000      0.2249000       5.511000 0.3272000       5.378000      0.3087000      0.1323000      0.4498000
  1 1 1       8    2   30 o    9.030000      0.3040000       9.194000 0.4098000       8.867000      0.4493000      0.3269000      0.6081000
  1 1 1       8    2   31 o    7.220000      0.2152000       7.089000 0.3075000       7.352000      0.3011000     -0.2627000      0.4304000
  1 1 1       8    2   32 o    7.491000      0.2227000       7.386000 0.3133000       7.596000      0.3167000     -0.2102000      0.4455000
  1 1 1       8    2   33 o    6.067000      0.2513000       6.143000 0.3622000       5.990000      0.3485000      0.1538000      0.5026000
  1 1 1       8    2   34 o    6.842000      0.2319000       6.964000 0.3279000       6.720000      0.3281000      0.2434000      0.4639000
  1 1 1       8    2   35 o    4.926000      0.2927000       5.071000 0.4178000       4.781000      0.4101000      0.2901000      0.5854000
  1 1 1       8    2   36 o    4.270000      0.3864000       4.234000 0.4958000       4.306000      0.5928000     -0.7198000E-01  0.7729000
  1 1 1       8    2   37 o    3.550000      0.5411000       4.135000 0.5111000       2.965000      0.9539000       1.170000       1.082000
  1 1 1       8    3    0 o    3.001000      0.1675000       2.794000 0.2501000       3.207000      0.2229000     -0.4130000      0.3350000
  1 1 1       8    3    1 f    17.37000      0.2423000       17.43000 0.3441000       17.30000      0.3413000      0.1283000      0.4846000
  1 1 1       8    3    2 o    15.36000      0.2161000       15.39000 0.3061000       15.33000      0.3052000      0.5716000E-01  0.4323000
  1 1 1       8    3    3 o    9.668000      0.1479000       9.715000 0.2097000       9.621000      0.2085000      0.9431000E-01  0.2957000
  1 1 1       8    3    4 o    16.92000      0.2336000       17.24000 0.3360000       16.60000      0.3245000      0.6363000      0.4671000
  1 1 1       8    3    5 o    17.40000      0.2385000       17.41000 0.3375000       17.38000      0.3370000      0.3302000E-01  0.4770000
  1 1 1       8    3    6 o    26.11000      0.3514000       26.03000 0.4955000       26.19000      0.4984000     -0.1559000      0.7028000
  1 1 1       8    3    7 o    43.18000      0.7052000       42.83000 1.146000       43.53000      0.8226000     -0.7001000       1.410000
  1 1 1       8    3    8 o    14.87000      0.2484000       14.82000 0.4049000       14.93000      0.2877000     -0.1080000      0.4967000
  1 1 1       8    3    9 o    13.64000      0.2277000       13.59000 0.3716000       13.69000      0.2633000     -0.9687000E-01  0.4554000
  1 1 1       8    3   12 o    7.999000      0.2306000                  ?       ?   7.999000      0.2306000                  ?              ?
  1 1 1       8    3   13 o    9.496000      0.2179000       9.214000 0.3135000       9.778000      0.3028000     -0.5648000      0.4359000
  1 1 1       8    3   14 o    7.575000      0.1376000       7.699000 0.2225000       7.451000      0.1618000      0.2479000      0.2752000
  1 1 1       8    3   15 o    11.79000      0.2011000       11.89000 0.3282000       11.70000      0.2324000      0.1915000      0.4021000
  1 1 1       8    3   16 o    7.723000      0.1554000       7.680000 0.1715000       7.765000      0.2593000     -0.8584000E-01  0.3109000
  1 1 1       8    3   17 o    2.373000      0.1834000       2.533000 0.2173000       2.213000      0.2955000      0.3196000      0.3668000
  1 1 1       8    3   18 o    3.173000      0.1653000       3.422000 0.1956000       2.925000      0.2665000      0.4965000      0.3306000
  1 1 1       8    3   19 o    8.235000      0.1435000       8.179000 0.1967000       8.292000      0.2091000     -0.1124000      0.2870000
  1 1 1       8    3   20 o    3.937000      0.1719000       4.359000 0.2079000       3.516000      0.2738000      0.8432000      0.3438000
  1 1 1       8    3   21 o    6.394000      0.1518000       6.050000 0.2032000       6.738000      0.2257000     -0.6886000      0.3036000
  1 1 1       8    3   22 o    15.02000      0.2201000       14.80000 0.3046000       15.25000      0.3179000     -0.4504000      0.4403000
  1 1 1       8    3   23 o    11.91000      0.1909000       12.38000 0.2712000       11.44000      0.2687000      0.9376000      0.3818000
  1 1 1       8    3   24 o    9.950000      0.1793000       10.03000 0.2458000       9.875000      0.2611000      0.1507000      0.3586000
  1 1 1       8    3   25 o    13.80000      0.2156000       13.92000 0.3004000       13.68000      0.3093000      0.2408000      0.4312000
  1 1 1       8    3   26 o    3.032000      0.4559000       3.748000 0.4732000       2.316000      0.7794000       1.432000      0.9118000
  1 1 1       8    3   27 o    8.390000      0.1977000       8.559000 0.2605000       8.221000      0.2975000      0.3377000      0.3955000
  1 1 1       8    3   28 o    3.796000      0.3100000       3.187000 0.4481000       4.404000      0.4286000      -1.218000      0.6200000
  1 1 1       8    3   29 o    3.789000      0.4722000       3.350000 0.6910000       4.229000      0.6437000     -0.8784000      0.9443000
  1 1 1       8    3   30 o    4.610000      0.4218000       4.471000 0.5681000       4.750000      0.6237000     -0.2792000      0.8436000
  1 1 1       8    3   31 o    8.476000      0.2252000       8.346000 0.2885000       8.606000      0.3459000     -0.2596000      0.4504000
  1 1 1       8    3   32 o    5.318000      0.3058000       5.689000 0.3586000       4.948000      0.4954000      0.7406000      0.6116000
  1 1 1       8    3   33 o    2.917000      0.5160000       2.939000 0.6392000       2.896000      0.8102000      0.4310000E-01   1.032000
  1 1 1       8    3   34 o    5.838000      0.2882000       5.807000 0.3655000       5.869000      0.4458000     -0.6281000E-01  0.5765000
  1 1 1       8    3   35 o    2.778000      0.4933000       2.279000 0.6999000       3.277000      0.6954000     -0.9971000      0.9866000
  1 1 1       8    3   36 o    2.225000      0.7366000       2.225000 0.7366000                  ?              ?              ?              ?
  1 1 1       8    3   37 o    4.338000      0.3474000       4.481000 0.4619000       4.194000      0.5191000      0.2872000      0.6949000
  1 1 1       8    4    0 f    5.227000      0.1340000       5.292000 0.1899000       5.163000      0.1892000      0.1293000      0.2680000
  1 1 1       8    4    1 o    13.83000      0.1989000       13.84000 0.2814000       13.82000      0.2812000      0.2209000E-01  0.3978000
  1 1 1       8    4    2 o    9.942000      0.1536000       9.861000 0.2161000       10.02000      0.2183000     -0.1631000      0.3071000
  1 1 1       8    4    3 o    21.39000      0.2919000       21.42000 0.4133000       21.35000      0.4122000      0.6989000E-01  0.5837000
  1 1 1       8    4    4 o    4.306000      0.1208000       4.419000 0.1693000       4.194000      0.1725000      0.2245000      0.2417000
  1 1 1       8    4    5 o    10.80000      0.1577000       10.81000 0.2230000       10.78000      0.2230000      0.3101000E-01  0.3154000
  1 1 1       8    4    6 o    24.42000      0.3294000       24.40000 0.4655000       24.44000      0.4662000     -0.3817000E-01  0.6588000
  1 1 1       8    4    7 o    38.47000      0.5147000       38.25000 0.7240000       38.69000      0.7319000     -0.4378000       1.029000
  1 1 1       8    4    8 o    38.45000      0.7281000       38.45000 0.7281000                  ?              ?              ?              ?
  1 1 1       8    4    9 o    21.77000      0.3596000       21.88000 0.5894000       21.66000      0.4121000      0.2206000      0.7192000
  1 1 1       8    4   11 o    17.23000      0.2830000       16.98000 0.4574000       17.48000      0.3335000     -0.4969000      0.5660000
  1 1 1       8    4   12 o    2.615000      0.3770000       2.698000 0.7349000       2.531000      0.1690000      0.1664000      0.7541000
  1 1 1       8    4   13 o    3.796000      0.4812000       4.708000 0.9408000       2.883000      0.2031000       1.825000      0.9625000
  1 1 1       8    4   14 o    2.606000      0.1542000       2.583000 0.2220000       2.629000      0.2142000     -0.4588000E-01  0.3085000
  1 1 1       8    4   15 o    9.935000      0.1457000       10.02000 0.2091000       9.849000      0.2031000      0.1718000      0.2915000
  1 1 1       8    4   16 o    8.834000      0.1346000       8.702000 0.1867000       8.967000      0.1939000     -0.2649000      0.2691000
  1 1 1       8    4   17 o    12.30000      0.1762000       12.59000 0.2524000       12.02000      0.2459000      0.5702000      0.3523000
  1 1 1       8    4   18 o    8.670000      0.1416000       8.951000 0.1993000       8.388000      0.2011000      0.5630000      0.2832000
  1 1 1       8    4   19 o    10.23000      0.1594000       10.46000 0.2260000       9.990000      0.2249000      0.4714000      0.3188000
  1 1 1       8    4   20 o    6.115000      0.1410000       5.984000 0.1932000       6.247000      0.2056000     -0.2630000      0.2821000
  1 1 1       8    4   21 o    5.592000      0.1547000       5.204000 0.2119000       5.979000      0.2254000     -0.7749000      0.3093000
  1 1 1       8    4   22 o    10.97000      0.1779000       10.83000 0.2447000       11.10000      0.2582000     -0.2743000      0.3557000
  1 1 1       8    4   23 o    9.464000      0.1728000       9.805000 0.2413000       9.122000      0.2475000      0.6830000      0.3457000
  1 1 1       8    4   24 f    13.96000      0.2137000       14.07000 0.2996000       13.85000      0.3049000      0.2132000      0.4274000
  1 1 1       8    4   25 o    14.92000      0.3154000       15.36000 0.4488000       14.48000      0.4434000      0.8744000      0.6309000
  1 1 1       8    4   26 o    13.26000      0.2962000       13.62000 0.4186000       12.90000      0.4193000      0.7241000      0.5925000
  1 1 1       8    4   27 o    7.025000      0.1987000       6.753000 0.2638000       7.298000      0.2971000     -0.5450000      0.3973000
  1 1 1       8    4   28 o    8.169000      0.2929000       7.919000 0.3971000       8.418000      0.4306000     -0.4990000      0.5858000
  1 1 1       8    4   29 o    3.397000      0.5265000       2.945000 0.7678000       3.849000      0.7207000     -0.9039000       1.053000
  1 1 1       8    4   30 o    9.202000      0.2148000       9.447000 0.2867000       8.958000      0.3200000      0.4894000      0.4297000
  1 1 1       8    4   31 o    4.386000      0.3221000       4.422000 0.4015000       4.350000      0.5037000      0.7252000E-01  0.6442000
  1 1 1       8    4   32 o    5.424000      0.3014000       5.862000 0.3570000       4.986000      0.4856000      0.8757000      0.6027000
  1 1 1       8    4   33 o    5.954000      0.2790000       5.749000 0.3627000       6.159000      0.4239000     -0.4096000      0.5579000
  1 1 1       8    4   34 o    7.115000      0.2483000       6.906000 0.3210000       7.324000      0.3789000     -0.4188000      0.4966000
  1 1 1       8    4   35 o    2.061000      0.5253000       1.920000 0.7131000       2.203000      0.7716000     -0.2823000       1.051000
  1 1 1       8    4   36 o    2.408000      0.4663000       3.152000 0.6585000       1.664000      0.6604000       1.488000      0.9326000
  1 1 1       8    4   37 o    3.883000      0.4037000       4.017000 0.5386000       3.749000      0.6015000      0.2684000      0.8074000
  1 1 1       8    5    0 o    18.56000      0.2589000       18.56000 0.3660000       18.56000      0.3663000      0.5913000E-02  0.5178000
  1 1 1       8    5    1 o    3.844000      0.1512000       3.875000 0.2139000       3.813000      0.2138000      0.6164000E-01  0.3024000
  1 1 1       8    5    2 o    7.864000      0.1366000       7.859000 0.1925000       7.869000      0.1940000     -0.9180000E-02  0.2733000
  1 1 1       8    5    3 o    17.08000      0.2375000       17.15000 0.3370000       17.01000      0.3346000      0.1399000      0.4749000
  1 1 1       8    5    4 f    21.25000      0.2899000       21.30000 0.4115000       21.19000      0.4085000      0.1118000      0.5798000
  1 1 1       8    5    5 o    12.50000      0.1784000       12.50000 0.2522000       12.50000      0.2524000     -0.5084000E-02  0.3568000
  1 1 1       8    5    6 o    17.38000      0.2383000       17.44000 0.3377000       17.33000      0.3362000      0.1081000      0.4765000
  1 1 1       8    5    7 o    1.577000      0.2040000       1.488000 0.3089000       1.665000      0.2667000     -0.1771000      0.4081000
  1 1 1       8    5    8 o    35.93000      0.6792000       35.93000 0.6792000                  ?              ?              ?              ?
  1 1 1       8    5    9 o    13.64000      0.2299000       13.95000 0.2695000       13.32000      0.3725000      0.6294000      0.4598000
  1 1 1       8    5   10 o    3.533000      0.1855000                  ?       ?   3.533000      0.1855000                  ?              ?
  1 1 1       8    5   11 o    16.17000      0.2221000       16.19000 0.3138000       16.15000      0.3145000      0.4629000E-01  0.4442000
  1 1 1       8    5   12 o    10.02000      0.1590000       10.23000 0.2439000       9.819000      0.2040000      0.4060000      0.3180000
  1 1 1       8    5   13 f    5.171000      0.1342000       5.212000 0.1986000       5.129000      0.1806000      0.8316000E-01  0.2685000
  1 1 1       8    5   14 f    5.140000      0.1347000       5.024000 0.1982000       5.256000      0.1826000     -0.2324000      0.2695000
  1 1 1       8    5   15 o    7.924000      0.1610000       7.595000 0.2621000       8.253000      0.1869000     -0.6580000      0.3219000
  1 1 1       8    5   16 o    4.479000      0.1211000       4.481000 0.1754000       4.478000      0.1671000      0.2935000E-02  0.2422000
  1 1 1       8    5   17 o    4.094000      0.1298000       4.111000 0.1816000       4.077000      0.1856000      0.3423000E-01  0.2597000
  1 1 1       8    5   18 o    11.15000      0.2021000       11.50000 0.3309000       10.80000      0.2323000      0.7016000      0.4043000
  1 1 1       8    5   19 f    11.47000      0.1725000       11.64000 0.2438000       11.31000      0.2440000      0.3339000      0.3449000
  1 1 1       8    5   20 o    8.140000      0.1472000       8.215000 0.2039000       8.065000      0.2125000      0.1495000      0.2945000
  1 1 1       8    5   21 o    7.644000      0.1501000       7.718000 0.2045000       7.569000      0.2199000      0.1497000      0.3002000
  1 1 1       8    5   22 o    12.66000      0.1943000       12.42000 0.2680000       12.90000      0.2814000     -0.4780000      0.3886000
  1 1 1       8    5   23 o    17.47000      0.2514000       17.28000 0.3507000       17.66000      0.3604000     -0.3755000      0.5029000
  1 1 1       8    5   24 f    9.994000      0.2409000       10.18000 0.3330000       9.805000      0.3482000      0.3777000      0.4818000
  1 1 1       8    5   25 o    6.541000      0.2416000       6.329000 0.3251000       6.753000      0.3576000     -0.4241000      0.4832000
  1 1 1       8    5   26 o    8.249000      0.1842000       8.310000 0.2506000       8.187000      0.2701000      0.1231000      0.3684000
  1 1 1       8    5   27 o    7.935000      0.2821000       7.880000 0.3779000       7.989000      0.4189000     -0.1088000      0.5642000
  1 1 1       8    5   28 o    12.00000      0.3038000       11.50000 0.4148000       12.51000      0.4439000      -1.011000      0.6075000
  1 1 1       8    5   29 o    1.470000      0.4382000       1.434000 0.5923000       1.506000      0.6461000     -0.7196000E-01  0.8765000
  1 1 1       8    5   30 f    5.657000      0.2454000       5.417000 0.3340000       5.898000      0.3596000     -0.4807000      0.4908000
  1 1 1       8    5   31 o    8.288000      0.2181000       8.482000 0.2913000       8.093000      0.3248000      0.3889000      0.4362000
  1 1 1       8    5   32 o    4.670000      0.3293000       5.099000 0.3814000       4.240000      0.5369000      0.8592000      0.6586000
  1 1 1       8    5   33 o    8.488000      0.2349000       8.477000 0.3150000       8.498000      0.3486000     -0.2066000E-01  0.4698000
  1 1 1       8    5   34 o    8.383000      0.2352000       8.697000 0.3082000       8.069000      0.3555000      0.6286000      0.4704000
  1 1 1       8    5   35 o    2.980000      0.4968000       3.059000 0.6404000       2.902000      0.7597000      0.1573000      0.9936000
  1 1 1       8    5   36 o    3.294000      0.4536000       3.578000 0.5672000       3.009000      0.7080000      0.5688000      0.9072000
  1 1 1       8    5   37 o    3.594000      0.4175000       3.849000 0.5275000       3.339000      0.6472000      0.5100000      0.8350000
  1 1 1       8    6    0 o    8.194000      0.1463000       8.053000 0.2053000       8.335000      0.2086000     -0.2822000      0.2927000
  1 1 1       8    6    1 o    11.94000      0.1796000       11.95000 0.2539000       11.94000      0.2542000      0.1282000E-01  0.3593000
  1 1 1       8    6    2 f    21.96000      0.3018000       21.91000 0.4251000       22.02000      0.4286000     -0.1089000      0.6037000
  1 1 1       8    6    3 o    26.11000      0.3540000       26.19000 0.5019000       26.03000      0.4994000      0.1681000      0.7080000
  1 1 1       8    6    4 o    26.23000      0.3548000       26.03000 0.4979000       26.43000      0.5057000     -0.4003000      0.7097000
  1 1 1       8    6    5 o    18.49000      0.2538000       18.55000 0.3598000       18.42000      0.3580000      0.1250000      0.5075000
  1 1 1       8    6    6 o    23.56000      0.3185000       23.80000 0.4549000       23.33000      0.4460000      0.4710000      0.6371000
  1 1 1       8    6    7 o    7.897000      0.1233000       8.103000 0.1754000       7.692000      0.1732000      0.4105000      0.2465000
  1 1 1       8    6    8 o    4.291000      0.9687000E-01   4.236000 0.1300000       4.347000      0.1437000     -0.1110000      0.1937000
  1 1 1       8    6    9 o    11.23000      0.1936000       11.30000 0.2265000       11.15000      0.3140000      0.1477000      0.3871000
  1 1 1       8    6   10 o    19.77000      0.2837000       19.50000 0.3788000       20.05000      0.4224000     -0.5490000      0.5674000
  1 1 1       8    6   11 o    34.38000      0.4633000       33.92000 0.6441000       34.84000      0.6661000     -0.9202000      0.9266000
  1 1 1       8    6   12 o    21.78000      0.3051000       21.64000 0.4396000       21.92000      0.4233000     -0.2863000      0.6103000
  1 1 1       8    6   13 o    4.021000      0.1459000       3.832000 0.2155000       4.210000      0.1968000     -0.3775000      0.2918000
  1 1 1       8    6   14 o    3.471000      0.1704000       3.814000 0.2302000       3.129000      0.2512000      0.6843000      0.3408000
  1 1 1       8    6   15 o    7.285000      0.1602000       7.353000 0.1950000       7.216000      0.2543000      0.1378000      0.3204000
  1 1 1       8    6   16 o    3.837000      0.1551000       3.818000 0.2324000       3.856000      0.2056000     -0.3884000E-01  0.3103000
  1 1 1       8    6   17 o    5.851000      0.1285000       5.924000 0.1856000       5.779000      0.1777000      0.1452000      0.2570000
  1 1 1       8    6   18 o    1.940000      0.2634000       2.268000 0.3060000       1.612000      0.4288000      0.6554000      0.5268000
  1 1 1       8    6   19 o    9.130000      0.1531000       9.144000 0.2187000       9.117000      0.2144000      0.2700000E-01  0.3062000
  1 1 1       8    6   20 o    6.325000      0.1444000       6.465000 0.2040000       6.185000      0.2044000      0.2797000      0.2888000
  1 1 1       8    6   21 o    8.996000      0.1572000       9.014000 0.2161000       8.979000      0.2284000      0.3439000E-01  0.3144000
  1 1 1       8    6   22 o    7.886000      0.1551000       7.523000 0.2115000       8.249000      0.2270000     -0.7264000      0.3103000
  1 1 1       8    6   23 o    8.207000      0.2198000       8.204000 0.3024000       8.210000      0.3191000     -0.6070000E-02  0.4396000
  1 1 1       8    6   24 o    15.63000      0.2315000       15.70000 0.3268000       15.55000      0.3279000      0.1453000      0.4630000
  1 1 1       8    6   25 o    7.392000      0.1778000       7.222000 0.2430000       7.563000      0.2596000     -0.3416000      0.3555000
  1 1 1       8    6   26 o    5.924000      0.2975000       6.297000 0.3895000       5.551000      0.4498000      0.7461000      0.5950000
  1 1 1       8    6   27 f    4.622000      0.3739000       4.674000 0.4926000       4.570000      0.5626000      0.1042000      0.7478000
  1 1 1       8    6   28 o    8.437000      0.1951000       8.416000 0.2644000       8.457000      0.2871000     -0.4113000E-01  0.3903000
  1 1 1       8    6   29 o    5.367000      0.2458000       5.791000 0.2977000       4.943000      0.3914000      0.8482000      0.4917000
  1 1 1       8    6   30 o    8.894000      0.2081000       8.933000 0.2781000       8.855000      0.3095000      0.7744000E-01  0.4161000
  1 1 1       8    6   31 o    5.970000      0.2612000       6.657000 0.3109000       5.283000      0.4198000       1.374000      0.5224000
  1 1 1       8    6   32 o    6.287000      0.2581000       5.991000 0.3494000       6.583000      0.3800000     -0.5918000      0.5162000
  1 1 1       8    6   33 o    3.879000      0.3958000       3.818000 0.5206000       3.940000      0.5964000     -0.1217000      0.7916000
  1 1 1       8    6   34 o    7.307000      0.2534000       6.830000 0.3388000       7.785000      0.3770000     -0.9558000      0.5068000
  1 1 1       8    6   35 o    2.485000      0.5302000       2.464000 0.7153000       2.506000      0.7829000     -0.4250000E-01   1.060000
  1 1 1       8    6   36 o    1.932000      0.5109000       2.219000 0.7355000       1.646000      0.7092000      0.5731000       1.022000
  1 1 1       8    6   37 o    1.868000      0.5183000       1.847000 0.7349000       1.889000      0.7311000     -0.4186000E-01   1.037000
  1 1 1       8    7    0 o    18.99000      0.2662000       19.03000 0.3771000       18.95000      0.3759000      0.8047000E-01  0.5324000
  1 1 1       8    7    1 o    28.65000      0.3893000       28.56000 0.5484000       28.75000      0.5528000     -0.1835000      0.7787000
  1 1 1       8    7    2 o    7.778000      0.1415000       7.914000 0.1997000       7.643000      0.2006000      0.2711000      0.2830000
  1 1 1       8    7    3 o    4.344000      0.1381000       4.385000 0.1921000       4.304000      0.1983000      0.8108000E-01  0.2761000
  1 1 1       8    7    4 o    9.794000      0.1518000       9.892000 0.2155000       9.697000      0.2139000      0.1947000      0.3036000
  1 1 1       8    7    5 o    20.62000      0.2816000       20.67000 0.3989000       20.58000      0.3975000      0.9434000E-01  0.5631000
  1 1 1       8    7    6 o    16.80000      0.2312000       16.59000 0.3226000       17.02000      0.3313000     -0.4287000      0.4624000
  1 1 1       8    7    7 o    20.44000      0.2769000       20.27000 0.3880000       20.61000      0.3952000     -0.3394000      0.5538000
  1 1 1       8    7    8 o    18.71000      0.2549000       18.44000 0.3538000       18.98000      0.3671000     -0.5355000      0.5099000
  1 1 1       8    7    9 o    10.82000      0.1688000       10.74000 0.2221000       10.90000      0.2544000     -0.1607000      0.3377000
  1 1 1       8    7   10 o    26.01000      0.3644000       25.65000 0.4938000       26.38000      0.5360000     -0.7365000      0.7288000
  1 1 1       8    7   11 f    7.786000      0.1631000       7.625000 0.2367000       7.947000      0.2246000     -0.3219000      0.3263000
  1 1 1       8    7   12 o    16.40000      0.2493000       16.11000 0.3697000       16.69000      0.3347000     -0.5742000      0.4987000
  1 1 1       8    7   13 o    17.35000      0.3064000       17.58000 0.3929000       17.12000      0.4703000      0.4596000      0.6128000
  1 1 1       8    7   14 o    16.82000      0.3270000       16.75000 0.4606000       16.88000      0.4643000     -0.1248000      0.6541000
  1 1 1       8    7   15 o    5.128000      0.1528000       5.306000 0.2257000       4.951000      0.2060000      0.3554000      0.3056000
  1 1 1       8    7   16 o    15.89000      0.2248000       16.36000 0.3275000       15.41000      0.3079000      0.9466000      0.4495000
  1 1 1       8    7   17 o    14.09000      0.2491000       13.79000 0.4030000       14.39000      0.2928000     -0.6073000      0.4981000
  1 1 1       8    7   18 o    3.145000      0.1878000       3.031000 0.2767000       3.259000      0.2541000     -0.2280000      0.3757000
  1 1 1       8    7   19 o    13.78000      0.2024000       13.66000 0.2866000       13.90000      0.2859000     -0.2339000      0.4049000
  1 1 1       8    7   20 o    5.143000      0.1530000       5.012000 0.2206000       5.274000      0.2121000     -0.2619000      0.3061000
  1 1 1       8    7   21 o    13.84000      0.2815000       14.00000 0.4003000       13.67000      0.3958000      0.3359000      0.5629000
  1 1 1       8    7   22 o    3.433000      0.2611000       3.599000 0.3135000       3.267000      0.4177000      0.3315000      0.5222000
  1 1 1       8    7   23 o    4.131000      0.1989000       4.092000 0.2643000       4.170000      0.2973000     -0.7866000E-01  0.3978000
  1 1 1       8    7   24 f    4.966000      0.1899000       5.169000 0.2430000       4.764000      0.2918000      0.4045000      0.3798000
  1 1 1       8    7   25 o    15.41000      0.3349000       15.42000 0.4698000       15.41000      0.4773000      0.9961000E-02  0.6698000
  1 1 1       8    7   26 o    11.15000      0.2862000       11.18000 0.3970000       11.11000      0.4124000      0.6336000E-01  0.5724000
  1 1 1       8    7   27 o    9.694000      0.1894000       9.669000 0.2603000       9.718000      0.2752000     -0.4880000E-01  0.3788000
  1 1 1       8    7   28 o    8.200000      0.1939000       8.697000 0.2626000       7.703000      0.2854000      0.9944000      0.3878000
  1 1 1       8    7   29 o    5.296000      0.2412000       5.259000 0.3163000       5.333000      0.3643000     -0.7421000E-01  0.4825000
  1 1 1       8    7   30 o    7.528000      0.2147000       7.707000 0.2867000       7.348000      0.3197000      0.3589000      0.4294000
  1 1 1       8    7   31 o    2.839000      0.4506000       2.715000 0.5916000       2.963000      0.6797000     -0.2478000      0.9011000
  1 1 1       8    7   32 o    5.266000      0.2886000       4.601000 0.4103000       5.930000      0.4058000      -1.328000      0.5771000
  1 1 1       8    7   33 o    1.860000      0.5030000       1.583000 0.6546000       2.137000      0.7638000     -0.5539000       1.006000
  1 1 1       8    7   34 o    4.393000      0.3397000       4.115000 0.4672000       4.672000      0.4932000     -0.5567000      0.6793000
  1 1 1       8    7   35 o    3.430000      0.4551000       3.944000 0.4872000       2.916000      0.7689000       1.028000      0.9103000
  1 1 1       8    7   36 o    3.381000      0.4667000       3.426000 0.5886000       3.335000      0.7245000      0.9069000E-01  0.9335000
  1 1 1       8    7   37 o    1.645000      0.5066000       1.702000 0.7108000       1.588000      0.7220000      0.1144000       1.013000
  1 1 1       8    8    0 o    34.93000      0.4714000       35.18000 0.6713000       34.67000      0.6620000      0.5110000      0.9429000
  1 1 1       8    8    1 o    21.26000      0.2941000       21.50000 0.4200000       21.02000      0.4117000      0.4796000      0.5882000
  1 1 1       8    8    2 o    14.42000      0.2080000       14.36000 0.2929000       14.47000      0.2953000     -0.1155000      0.4160000
  1 1 1       8    8    3 o    32.22000      0.4356000       32.38000 0.6190000       32.07000      0.6129000      0.3096000      0.8711000
  1 1 1       8    8    4 o    22.31000      0.3717000       22.00000 0.6012000       22.62000      0.4375000     -0.6207000      0.7435000
  1 1 1       8    8    5 o    29.37000      0.3956000       29.73000 0.5660000       29.01000      0.5527000      0.7188000      0.7911000
  1 1 1       8    8    6 o    21.48000      0.2915000       21.63000 0.4148000       21.34000      0.4096000      0.2949000      0.5829000
  1 1 1       8    8    7 o    16.52000      0.2273000       16.41000 0.3178000       16.64000      0.3250000     -0.2356000      0.4545000
  1 1 1       8    8    8 o    9.699000      0.1467000       9.653000 0.2006000       9.745000      0.2143000     -0.9151000E-01  0.2935000
  1 1 1       8    8    9 o    14.66000      0.2919000       14.66000 0.2919000                  ?              ?              ?              ?
  1 1 1       8    8   10 o    15.02000      0.2975000       15.09000 0.4281000       14.95000      0.4133000      0.1394000      0.5951000
  1 1 1       8    8   11 o    24.01000      0.4765000                  ?       ?   24.01000      0.4765000                  ?              ?
  1 1 1       8    8   12 o    21.58000      0.3171000       21.61000 0.4686000       21.56000      0.4274000      0.4569000E-01  0.6342000
  1 1 1       8    8   13 f    8.811000      0.1853000       8.610000 0.2753000       9.011000      0.2482000     -0.4004000      0.3707000
  1 1 1       8    8   14 o    7.345000      0.1694000       7.293000 0.2525000       7.396000      0.2259000     -0.1033000      0.3389000
  1 1 1       8    8   15 f    1.985000      0.3164000       2.194000 0.4398000       1.776000      0.4549000      0.4174000      0.6327000
  1 1 1       8    8   16 o    8.474000      0.1797000       8.266000 0.2856000       8.682000      0.2181000     -0.4159000      0.3593000
  1 1 1       8    8   17 o    5.584000      0.1532000       5.309000 0.2297000       5.860000      0.2029000     -0.5515000      0.3065000
  1 1 1       8    8   18 o    8.780000      0.2187000       9.171000 0.3132000       8.388000      0.3053000      0.7822000      0.4374000
  1 1 1       8    8   19 o    13.62000      0.2776000       14.32000 0.4078000       12.91000      0.3767000       1.409000      0.5552000
  1 1 1       8    8   20 o    12.33000      0.2574000       12.61000 0.3691000       12.05000      0.3588000      0.5633000      0.5147000
  1 1 1       8    8   21 o    17.81000      0.2541000       17.62000 0.3583000       18.01000      0.3603000     -0.3935000      0.5081000
  1 1 1       8    8   22 o    3.019000      0.2541000       2.903000 0.3631000       3.134000      0.3556000     -0.2314000      0.5082000
  1 1 1       8    8   23 o    2.884000      0.4813000       3.066000 0.7081000       2.702000      0.6519000      0.3643000      0.9625000
  1 1 1       8    8   24 o    17.52000      0.3721000       17.60000 0.5354000       17.43000      0.5168000      0.1707000      0.7442000
  1 1 1       8    8   25 o    16.05000      0.2384000       16.56000 0.3425000       15.54000      0.3318000       1.013000      0.4769000
  1 1 1       8    8   26 o    6.906000      0.1833000       6.902000 0.2464000       6.909000      0.2715000     -0.7681000E-02  0.3667000
  1 1 1       8    8   27 o    7.046000      0.1907000       7.063000 0.2582000       7.029000      0.2806000      0.3328000E-01  0.3813000
  1 1 1       8    8   28 o    8.576000      0.1918000       8.596000 0.2562000       8.556000      0.2855000      0.3962000E-01  0.3836000
  1 1 1       8    8   29 o    4.262000      0.2650000       4.078000 0.3530000       4.447000      0.3954000     -0.3696000      0.5301000
  1 1 1       8    8   30 o    6.939000      0.2181000       6.891000 0.2926000       6.986000      0.3233000     -0.9517000E-01  0.4361000
  1 1 1       8    8   31 o    4.145000      0.3264000       4.216000 0.4099000       4.074000      0.5080000      0.1412000      0.6528000
  1 1 1       8    8   32 o    3.092000      0.4451000       3.032000 0.5888000       3.151000      0.6676000     -0.1187000      0.8902000
  1 1 1       8    8   33 o    4.706000      0.3143000       4.392000 0.4319000       5.019000      0.4567000     -0.6268000      0.6286000
  1 1 1       8    8   34 o    4.023000      0.3809000       4.031000 0.4858000       4.015000      0.5867000      0.1549000E-01  0.7617000
  1 1 1       8    8   35 o    3.920000      0.3902000       3.841000 0.5093000       4.000000      0.5913000     -0.1593000      0.7804000
  1 1 1       8    8   36 o    1.568000      0.4830000       1.479000 0.6485000       1.656000      0.7158000     -0.1764000      0.9659000
  1 1 1       8    8   37 o    3.671000      0.5842000       3.671000 0.5842000                  ?              ?              ?              ?
  1 1 1       8    9    0 o    15.10000      0.3124000       14.42000 0.4224000       15.78000      0.4604000      -1.353000      0.6248000
  1 1 1       8    9    1 o    21.93000      0.4290000       22.29000 0.6143000       21.58000      0.5989000      0.7108000      0.8579000
  1 1 1       8    9    2 f    11.57000      0.2519000       11.44000 0.3515000       11.69000      0.3609000     -0.2418000      0.5038000
  1 1 1       8    9    3 o    31.23000      0.4219000       31.49000 0.6008000       30.98000      0.5924000      0.5120000      0.8437000
  1 1 1       8    9    4 o    8.172000      0.1390000       8.186000 0.1959000       8.158000      0.1972000      0.2719000E-01  0.2779000
  1 1 1       8    9    5 o    19.23000      0.2639000       19.40000 0.3760000       19.05000      0.3705000      0.3526000      0.5278000
  1 1 1       8    9    6 o    5.309000      0.1147000       5.248000 0.1573000       5.370000      0.1670000     -0.1221000      0.2294000
  1 1 1       8    9    7 o    9.311000      0.1434000       9.296000 0.1979000       9.327000      0.2076000     -0.3082000E-01  0.2868000
  1 1 1       8    9    8 o    13.14000      0.2310000       12.91000 0.3636000       13.37000      0.2850000     -0.4561000      0.4620000
  1 1 1       8    9    9 o    8.962000      0.2242000       8.962000 0.2242000                  ?              ?              ?              ?
  1 1 1       8    9   10 o    18.72000      0.3661000       18.85000 0.5265000       18.59000      0.5087000      0.2559000      0.7321000
  1 1 1       8    9   12 o    11.06000      0.5891000       9.950000 1.137000       12.16000      0.3067000      -2.214000       1.178000
  1 1 1       8    9   13 o    3.781000      0.2521000       3.456000 0.3661000       4.106000      0.3465000     -0.6502000      0.5041000
  1 1 1       8    9   14 o    9.239000      0.1842000       9.283000 0.2738000       9.195000      0.2464000      0.8816000E-01  0.3683000
  1 1 1       8    9   15 o    6.088000      0.5177000       5.171000 0.9172000       7.004000      0.4806000      -1.833000       1.035000
  1 1 1       8    9   17 o    2.613000      0.4679000       2.794000 0.6637000       2.433000      0.6596000      0.3618000      0.9357000
  1 1 1       8    9   18 o    10.73000      0.2147000       10.52000 0.3524000       10.94000      0.2453000     -0.4211000      0.4293000
  1 1 1       8    9   19 o    10.25000      0.2397000       10.62000 0.3422000       9.883000      0.3357000      0.7367000      0.4794000
  1 1 1       8    9   20 o    7.285000      0.1503000       7.083000 0.2150000       7.488000      0.2101000     -0.4052000      0.3006000
  1 1 1       8    9   21 o    8.119000      0.2574000       8.376000 0.3861000       7.862000      0.3406000      0.5147000      0.5149000
  1 1 1       8    9   22 o    1.522000      0.4678000       1.728000 0.7222000       1.316000      0.5947000      0.4113000      0.9356000
  1 1 1       8    9   23 o    1.390000      0.3794000       1.438000 0.5396000       1.343000      0.5336000      0.9487000E-01  0.7589000
  1 1 1       8    9   24 o    14.16000      0.2191000       14.19000 0.3124000       14.13000      0.3073000      0.6087000E-01  0.4382000
  1 1 1       8    9   25 o    9.218000      0.2109000       9.309000 0.3313000       9.127000      0.2609000      0.1814000      0.4217000
  1 1 1       8    9   26 o    6.141000      0.2013000       6.260000 0.2847000       6.021000      0.2846000      0.2389000      0.4026000
  1 1 1       8    9   27 o    3.876000      0.2701000       3.913000 0.3472000       3.838000      0.4138000      0.7496000E-01  0.5402000
  1 1 1       8    9   28 o    8.928000      0.1925000       9.059000 0.2629000       8.797000      0.2813000      0.2619000      0.3850000
  1 1 1       8    9   29 f    6.857000      0.2068000       6.999000 0.2762000       6.715000      0.3078000      0.2839000      0.4135000
  1 1 1       8    9   30 o    4.489000      0.2784000       4.242000 0.3775000       4.736000      0.4094000     -0.4940000      0.5568000
  1 1 1       8    9   31 o    7.750000      0.2179000       7.584000 0.2884000       7.916000      0.3267000     -0.3320000      0.4358000
  1 1 1       8    9   32 o    8.867000      0.2208000       8.652000 0.2909000       9.082000      0.3322000     -0.4305000      0.4415000
  1 1 1       8    9   33 o    5.672000      0.2763000       5.506000 0.3666000       5.838000      0.4135000     -0.3320000      0.5526000
  1 1 1       8    9   34 f    5.966000      0.2795000       5.996000 0.3706000       5.935000      0.4185000      0.6070000E-01  0.5590000
  1 1 1       8    9   35 o    2.491000      0.5168000       1.901000 0.7254000       3.081000      0.7364000      -1.180000       1.034000
  1 1 1       8    9   36 o    3.186000      0.4977000       2.636000 0.7808000       3.735000      0.6173000      -1.099000      0.9954000
  1 1 1       8   10    0 o    9.641000      0.1660000       9.635000 0.2357000       9.648000      0.2338000     -0.1369000E-01  0.3320000
  1 1 1       8   10    1 o    5.838000      0.1515000       5.855000 0.2140000       5.821000      0.2145000      0.3423000E-01  0.3030000
  1 1 1       8   10    2 o    12.69000      0.1902000       12.56000 0.2671000       12.82000      0.2709000     -0.2580000      0.3804000
  1 1 1       8   10    3 o    5.181000      0.1750000       4.863000 0.2566000       5.500000      0.2379000     -0.6378000      0.3500000
  1 1 1       8   10    4 o    12.77000      0.2662000       13.09000 0.3794000       12.44000      0.3735000      0.6500000      0.5324000
  1 1 1       8   10    5 o    13.46000      0.2738000       13.58000 0.3882000       13.35000      0.3861000      0.2265000      0.5475000
  1 1 1       8   10    6 o    11.21000      0.2335000       11.55000 0.3360000       10.87000      0.3243000      0.6776000      0.4670000
  1 1 1       8   10    7 o    7.166000      0.1738000       7.310000 0.2459000       7.023000      0.2457000      0.2868000      0.3476000
  1 1 1       8   10    8 o    13.02000      0.2599000       13.10000 0.3707000       12.95000      0.3644000      0.1496000      0.5198000
  1 1 1       8   10   10 o    19.37000      0.3834000       19.97000 0.5660000       18.77000      0.5173000       1.207000      0.7668000
  1 1 1       8   10   11 o    6.889000      0.3425000       6.714000 0.5927000       7.064000      0.3435000     -0.3501000      0.6850000
  1 1 1       8   10   12 o    6.252000      0.9097000       6.258000 1.729000       6.246000      0.5658000      0.1188000E-01   1.819000
  1 1 1       8   10   13 o    5.411000      0.1942000       5.164000 0.2646000       5.657000      0.2844000     -0.4931000      0.3885000
  1 1 1       8   10   14 o    8.108000      0.1887000       7.873000 0.2789000       8.344000      0.2543000     -0.4713000      0.3774000
  1 1 1       8   10   15 o    3.084000      0.2577000       2.778000 0.3984000       3.391000      0.3271000     -0.6134000      0.5154000
  1 1 1       8   10   16 o    8.690000      0.1730000       8.602000 0.2562000       8.777000      0.2325000     -0.1754000      0.3460000
  1 1 1       8   10   17 o    2.884000      0.2792000       2.984000 0.4163000       2.785000      0.3720000      0.1995000      0.5583000
  1 1 1       8   10   18 o    3.272000      0.3056000       3.311000 0.4706000       3.234000      0.3899000      0.7668000E-01  0.6111000
  1 1 1       8   10   20 o    1.377000      0.3825000       1.481000 0.5569000       1.274000      0.5246000      0.2070000      0.7651000
  1 1 1       8   10   21 o    3.361000      0.2424000       3.351000 0.3458000       3.371000      0.3396000     -0.2049000E-01  0.4847000
  1 1 1       8   10   22 o    5.385000      0.1925000       5.497000 0.2780000       5.273000      0.2662000      0.2244000      0.3849000
  1 1 1       8   10   23 o    1.882000      0.3808000       1.378000 0.5502000       2.387000      0.5266000      -1.010000      0.7616000
  1 1 1       8   10   24 o    9.610000      0.1843000       9.605000 0.2617000       9.615000      0.2595000     -0.1015000E-01  0.3685000
  1 1 1       8   10   25 o    20.04000      0.2879000       19.82000 0.4056000       20.27000      0.4088000     -0.4429000      0.5759000
  1 1 1       8   10   26 o    8.376000      0.1918000       8.368000 0.2735000       8.384000      0.2688000     -0.1695000E-01  0.3835000
  1 1 1       8   10   27 o    11.50000      0.2652000       11.69000 0.2978000       11.31000      0.4390000      0.3789000      0.5304000
  1 1 1       8   10   28 o    9.447000      0.2007000       9.517000 0.2864000       9.378000      0.2811000      0.1389000      0.4013000
  1 1 1       8   10   29 o    6.360000      0.2130000       6.212000 0.2868000       6.508000      0.3150000     -0.2966000      0.4260000
  1 1 1       8   10   30 o    7.742000      0.2119000       8.233000 0.2807000       7.251000      0.3176000      0.9821000      0.4239000
  1 1 1       8   10   31 o    7.175000      0.2285000       7.040000 0.3022000       7.309000      0.3429000     -0.2685000      0.4571000
  1 1 1       8   10   32 o    12.09000      0.2280000       12.10000 0.3124000       12.08000      0.3323000      0.2327000E-01  0.4561000
  1 1 1       8   10   33 o    5.552000      0.2817000       5.675000 0.3610000       5.430000      0.4325000      0.2450000      0.5634000
  1 1 1       8   10   34 o    5.916000      0.2780000       5.993000 0.3626000       5.839000      0.4216000      0.1544000      0.5561000
  1 1 1       8   10   35 o    1.407000      0.4519000       1.058000 0.5202000       1.757000      0.7392000     -0.6984000      0.9039000
  1 1 1       8   10   36 o    2.553000      0.5783000       3.315000 0.8310000       1.790000      0.8044000       1.525000       1.157000
  1 1 1       8   11    0 o    32.48000      0.6214000       32.22000 0.8723000       32.73000      0.8852000     -0.5077000       1.243000
  1 1 1       8   11    1 o    30.84000      0.5903000       30.89000 0.8366000       30.79000      0.8331000      0.9719000E-01   1.181000
  1 1 1       8   11    2 f    17.48000      0.3456000       17.73000 0.4962000       17.24000      0.4812000      0.4972000      0.6912000
  1 1 1       8   11    3 o    12.21000      0.2210000       12.29000 0.3610000       12.14000      0.2552000      0.1553000      0.4421000
  1 1 1       8   11    4 o    11.69000      0.1740000       11.76000 0.2467000       11.61000      0.2454000      0.1482000      0.3479000
  1 1 1       8   11    5 o    5.073000      0.1269000       5.096000 0.1712000       5.049000      0.1873000      0.4667000E-01  0.2538000
  1 1 1       8   11    6 o    9.832000      0.1545000       9.728000 0.2125000       9.935000      0.2245000     -0.2073000      0.3091000
  1 1 1       8   11    7 o    19.18000      0.2663000       19.15000 0.3724000       19.20000      0.3807000     -0.5499000E-01  0.5326000
  1 1 1       8   11    8 o    20.20000      0.2901000       20.32000 0.3984000       20.08000      0.4219000      0.2442000      0.5803000
  1 1 1       8   11    9 o    6.858000      0.1927000       7.266000 0.2744000       6.449000      0.2705000      0.8169000      0.3853000
  1 1 1       8   11   10 o    3.896000      0.3672000       4.349000 0.5580000       3.444000      0.4774000      0.9046000      0.7344000
  1 1 1       8   11   11 o    16.85000      0.3132000       17.44000 0.4043000       16.26000      0.4783000       1.173000      0.6263000
  1 1 1       8   11   12 o    8.976000      0.2540000       8.478000 0.3631000       9.474000      0.3554000     -0.9958000      0.5080000
  1 1 1       8   11   13 o    16.37000      0.3353000       16.42000 0.4688000       16.32000      0.4794000      0.1042000      0.6705000
  1 1 1       8   11   14 o    4.145000      0.2744000       3.682000 0.4005000       4.608000      0.3754000     -0.9252000      0.5489000
  1 1 1       8   11   15 o    6.651000      0.1975000       6.676000 0.2779000       6.627000      0.2806000      0.4973000E-01  0.3950000
  1 1 1       8   11   16 o    9.883000      0.2264000       10.12000 0.3274000       9.647000      0.3128000      0.4715000      0.4528000
  1 1 1       8   11   17 o    6.456000      0.1848000       6.439000 0.2783000       6.474000      0.2432000     -0.3483000E-01  0.3696000
  1 1 1       8   11   18 o    7.419000      0.1796000       7.092000 0.2637000       7.746000      0.2437000     -0.6538000      0.3591000
  1 1 1       8   11   19 o    6.234000      0.2380000       6.517000 0.4045000       5.950000      0.2509000      0.5673000      0.4760000
  1 1 1       8   11   20 o    4.116000      0.2378000       4.121000 0.3632000       4.111000      0.3072000      0.1081000E-01  0.4757000
  1 1 1       8   11   21 o    3.441000      0.2746000       3.342000 0.4167000       3.540000      0.3577000     -0.1979000      0.5492000
  1 1 1       8   11   22 o    4.315000      0.2212000       4.252000 0.3247000       4.377000      0.3005000     -0.1246000      0.4424000
  1 1 1       8   11   23 o    8.164000      0.1818000       8.342000 0.2607000       7.985000      0.2536000      0.3576000      0.3637000
  1 1 1       8   11   24 o    3.661000      0.2741000       3.830000 0.3759000       3.492000      0.3991000      0.3386000      0.5482000
  1 1 1       8   11   25 o    7.346000      0.1907000       7.144000 0.2734000       7.547000      0.2659000     -0.4029000      0.3814000
  1 1 1       8   11   26 o    7.376000      0.1967000       7.485000 0.2761000       7.267000      0.2803000      0.2189000      0.3935000
  1 1 1       8   11   27 o    3.881000      0.3003000       3.875000 0.4123000       3.887000      0.4366000     -0.1176000E-01  0.6005000
  1 1 1       8   11   28 o    13.97000      0.2316000       14.03000 0.3320000       13.91000      0.3230000      0.1219000      0.4632000
  1 1 1       8   11   29 o    3.010000      0.4222000       3.404000 0.5237000       2.617000      0.6624000      0.7872000      0.8444000
  1 1 1       8   11   30 o    5.208000      0.2699000       5.072000 0.3858000       5.343000      0.3777000     -0.2704000      0.5399000
  1 1 1       8   11   31 o    2.396000      0.4663000       1.766000 0.6673000       3.026000      0.6516000      -1.260000      0.9327000
  1 1 1       8   11   32 o    3.958000      0.3772000       4.144000 0.4604000       3.772000      0.5977000      0.3725000      0.7545000
  1 1 1       8   11   33 o    3.022000      0.4952000       2.838000 0.6791000       3.206000      0.7209000     -0.3679000      0.9903000
  1 1 1       8   11   34 o    3.739000      0.5469000       4.626000 0.6055000       2.852000      0.9109000       1.774000       1.094000
  1 1 1       8   11   35 o    2.865000      0.6424000       2.792000 0.8826000       2.938000      0.9336000     -0.1464000       1.285000
  1 1 1       8   11   36 o    2.197000      0.5511000       2.279000 0.7684000       2.115000      0.7903000      0.1632000       1.102000
  1 1 1       8   12    0 o    24.81000      0.3413000       24.66000 0.4801000       24.96000      0.4851000     -0.2990000      0.6825000
  1 1 1       8   12    1 o    13.74000      0.2030000       13.51000 0.2828000       13.96000      0.2913000     -0.4566000      0.4060000
  1 1 1       8   12    2 o    23.48000      0.3218000       23.71000 0.4592000       23.25000      0.4509000      0.4604000      0.6436000
  1 1 1       8   12    3 o    9.698000      0.1560000       9.836000 0.2204000       9.559000      0.2209000      0.2768000      0.3120000
  1 1 1       8   12    4 o    11.55000      0.2409000       11.27000 0.3318000       11.84000      0.3492000     -0.5620000      0.4817000
  1 1 1       8   12    5 o    10.40000      0.2237000       10.47000 0.3141000       10.32000      0.3186000      0.1492000      0.4474000
  1 1 1       8   12    6 o    33.05000      0.6325000       31.99000 0.8623000       34.12000      0.9254000      -2.131000       1.265000
  1 1 1       8   12    8 o    12.64000      0.3762000       12.22000 0.4045000       13.06000      0.6345000     -0.8412000      0.7525000
  1 1 1       8   12    9 o    4.256000       1.008000       4.514000 0.9044000       3.998000       1.801000      0.5168000       2.016000
  1 1 1       8   12   10 o    6.503000      0.9277000       8.024000 0.5478000       4.983000       1.773000       3.042000       1.855000
  1 1 1       8   12   11 o    9.247000      0.5426000       8.649000 0.5258000       9.844000      0.9494000      -1.195000       1.085000
  1 1 1       8   12   12 o    6.178000      0.4033000       6.198000 0.4097000       6.158000      0.6948000      0.3996000E-01  0.8066000
  1 1 1       8   12   13 o    7.152000      0.2598000       7.332000 0.3593000       6.972000      0.3753000      0.3595000      0.5196000
  1 1 1       8   12   14 o    8.149000      0.2230000       8.102000 0.3130000       8.197000      0.3177000     -0.9487000E-01  0.4460000
  1 1 1       8   12   15 o    8.918000      0.6512000       9.969000 1.273000       7.866000      0.2755000       2.103000       1.302000
  1 1 1       8   12   16 o    3.914000      0.2540000       3.881000 0.3730000       3.947000      0.3449000     -0.6582000E-01  0.5080000
  1 1 1       8   12   17 o    5.775000      0.1992000       5.470000 0.2971000       6.079000      0.2655000     -0.6086000      0.3984000
  1 1 1       8   12   18 o    2.214000      0.3930000       2.796000 0.5190000       1.631000      0.5902000       1.165000      0.7859000
  1 1 1       8   12   19 o    3.001000      0.3394000       3.413000 0.4619000       2.589000      0.4975000      0.8241000      0.6789000
  1 1 1       8   12   20 o    6.744000      0.1854000       6.868000 0.2690000       6.620000      0.2551000      0.2481000      0.3708000
  1 1 1       8   12   21 o    7.511000      0.1866000       7.633000 0.2753000       7.389000      0.2520000      0.2438000      0.3733000
  1 1 1       8   12   22 o    4.492000      0.2459000       4.647000 0.3670000       4.338000      0.3273000      0.3092000      0.4917000
  1 1 1       8   12   23 f    13.56000      0.2154000       13.70000 0.3099000       13.41000      0.2992000      0.2969000      0.4308000
  1 1 1       8   12   24 o    4.908000      0.2306000       5.176000 0.3134000       4.641000      0.3384000      0.5354000      0.4612000
  1 1 1       8   12   25 o    5.172000      0.2318000       5.067000 0.3398000       5.276000      0.3155000     -0.2096000      0.4637000
  1 1 1       8   12   26 o    15.71000      0.2441000       15.58000 0.3463000       15.85000      0.3442000     -0.2652000      0.4883000
  1 1 1       8   12   27 o    1.751000      0.4490000       1.439000 0.6107000       2.063000      0.6583000     -0.6239000      0.8979000
  1 1 1       8   12   28 o    13.55000      0.2296000       13.45000 0.3270000       13.64000      0.3224000     -0.1943000      0.4592000
  1 1 1       8   12   29 o    9.589000      0.2156000       9.579000 0.3148000       9.599000      0.2946000     -0.2022000E-01  0.4311000
  1 1 1       8   12   30 o    7.582000      0.2368000       7.401000 0.3416000       7.762000      0.3280000     -0.3615000      0.4736000
  1 1 1       8   12   31 o    5.178000      0.3110000       5.666000 0.4102000       4.691000      0.4676000      0.9749000      0.6220000
  1 1 1       8   12   32 o    3.800000      0.4354000       3.966000 0.5748000       3.633000      0.6542000      0.3331000      0.8708000
  1 1 1       8   12   33 o    2.407000      0.6248000       2.061000 0.8107000       2.754000      0.9509000     -0.6922000       1.250000
  1 1 1       8   12   34 o    3.639000      0.5722000       3.872000 0.7230000       3.406000      0.8871000      0.4661000       1.144000
  1 1 1       8   12   35 o    1.767000      0.5166000       1.532000 0.6805000       2.002000      0.7775000     -0.4701000       1.033000
  1 1 1       8   12   36 o    2.133000      0.5385000       1.966000 0.7178000       2.301000      0.8030000     -0.3355000       1.077000
  1 1 1       8   13    0 o    17.36000      0.2473000       17.36000 0.3495000       17.35000      0.3500000      0.1324000E-01  0.4946000
  1 1 1       8   13    1 o    20.42000      0.2838000       20.86000 0.4088000       19.97000      0.3937000      0.8961000      0.5676000
  1 1 1       8   13    2 o    12.57000      0.1881000       12.40000 0.2628000       12.75000      0.2691000     -0.3534000      0.3761000
  1 1 1       8   13    3 o    15.31000      0.2182000       15.04000 0.3031000       15.58000      0.3140000     -0.5328000      0.4364000
  1 1 1       8   13    4 o    16.04000      0.2258000       16.38000 0.3242000       15.70000      0.3144000      0.6760000      0.4517000
  1 1 1       8   13    5 o    13.37000      0.2474000       12.94000 0.2665000       13.81000      0.4169000     -0.8712000      0.4948000
  1 1 1       8   13    6 o    9.362000      0.1603000       9.525000 0.2224000       9.198000      0.2310000      0.3273000      0.3206000
  1 1 1       8   13    7 o    25.22000      0.4186000       25.62000 0.4972000       24.83000      0.6734000      0.7916000      0.8371000
  1 1 1       8   13    8 f    7.051000      0.1966000       7.140000 0.2706000       6.962000      0.2853000      0.1783000      0.3932000
  1 1 1       8   13    9 o    4.187000      0.2909000       3.823000 0.4670000       4.551000      0.3472000     -0.7283000      0.5819000
  1 1 1       8   13   10 f    20.77000      0.4511000       20.77000 0.4511000                  ?              ?              ?              ?
  1 1 1       8   13   11 o    7.804000      0.3075000       7.677000 0.4927000       7.931000      0.3682000     -0.2543000      0.6151000
  1 1 1       8   13   12 o    4.561000      0.6770000                  ?       ?   4.561000      0.6770000                  ?              ?
  1 1 1       8   13   13 o    15.30000      0.2852000       14.97000 0.4257000       15.63000      0.3796000     -0.6522000      0.5703000
  1 1 1       8   13   14 f    15.63000      0.6325000       16.26000 1.212000       15.00000      0.3619000       1.256000       1.265000
  1 1 1       8   13   15 o    2.062000      0.4507000       2.201000 0.6420000       1.922000      0.6328000      0.2788000      0.9015000
  1 1 1       8   13   16 o    8.007000      0.2048000       7.786000 0.2964000       8.229000      0.2827000     -0.4428000      0.4096000
  1 1 1       8   13   17 o    7.737000      0.1966000       7.521000 0.2843000       7.954000      0.2717000     -0.4328000      0.3933000
  1 1 1       8   13   18 o    6.592000      0.2090000       6.393000 0.3207000       6.792000      0.2681000     -0.3990000      0.4180000
  1 1 1       8   13   19 o    8.501000      0.2007000       8.622000 0.2988000       8.381000      0.2680000      0.2412000      0.4014000
  1 1 1       8   13   20 o    7.040000      0.2519000       7.085000 0.2895000       6.996000      0.4124000      0.8888000E-01  0.5039000
  1 1 1       8   13   21 o    4.948000      0.2360000       5.035000 0.3588000       4.860000      0.3068000      0.1754000      0.4721000
  1 1 1       8   13   22 o    10.49000      0.1993000       10.45000 0.2912000       10.54000      0.2722000     -0.8480000E-01  0.3987000
  1 1 1       8   13   23 o    11.56000      0.2084000       11.88000 0.3031000       11.25000      0.2861000      0.6288000      0.4168000
  1 1 1       8   13   24 o    13.42000      0.2199000       13.33000 0.3153000       13.51000      0.3066000     -0.1752000      0.4397000
  1 1 1       8   13   25 o    6.536000      0.2125000       6.577000 0.3067000       6.495000      0.2943000      0.8171000E-01  0.4251000
  1 1 1       8   13   26 o    12.07000      0.2169000       12.21000 0.3151000       11.93000      0.2981000      0.2784000      0.4338000
  1 1 1       8   13   27 o    6.280000      0.2333000       6.187000 0.3353000       6.372000      0.3245000     -0.1849000      0.4666000
  1 1 1       8   13   28 o    6.344000      0.2415000       6.009000 0.3495000       6.678000      0.3334000     -0.6689000      0.4830000
  1 1 1       8   13   29 o    10.42000      0.2208000       10.83000 0.3210000       10.01000      0.3033000      0.8213000      0.4416000
  1 1 1       8   13   30 o    3.124000      0.4445000       2.730000 0.6831000       3.519000      0.5689000     -0.7889000      0.8890000
  1 1 1       8   13   31 o    3.765000      0.5238000       3.445000 0.7763000       4.086000      0.7033000     -0.6411000       1.048000
  1 1 1       8   13   32 o    5.150000      0.4116000       4.917000 0.5609000       5.383000      0.6026000     -0.4662000      0.8232000
  1 1 1       8   13   33 o    2.857000      0.5351000       3.410000 0.7046000       2.305000      0.8055000       1.105000       1.070000
  1 1 1       8   13   34 o    2.554000      0.5970000       3.238000 0.9081000       1.871000      0.7752000       1.367000       1.194000
  1 1 1       8   13   35 o    3.517000      0.6489000       4.090000 0.8560000       2.943000      0.9755000       1.147000       1.298000
  1 1 1       8   14    0 o    11.35000      0.1808000       11.28000 0.2535000       11.42000      0.2578000     -0.1315000      0.3615000
  1 1 1       8   14    1 o    6.124000      0.1505000       6.123000 0.2083000       6.124000      0.2172000     -0.1014000E-02  0.3010000
  1 1 1       8   14    2 o    30.11000      0.4081000       30.74000 0.5875000       29.47000      0.5666000       1.267000      0.8162000
  1 1 1       8   14    3 f    19.08000      0.2651000       19.38000 0.3793000       18.78000      0.3706000      0.5985000      0.5303000
  1 1 1       8   14    4 o    1.180000      0.3267000       1.121000 0.4409000       1.239000      0.4822000     -0.1177000      0.6534000
  1 1 1       8   14    5 o    9.626000      0.1934000       9.427000 0.2209000       9.825000      0.3177000     -0.3987000      0.3869000
  1 1 1       8   14    6 o    24.35000      0.4166000       24.85000 0.6857000       23.85000      0.4734000       1.003000      0.8332000
  1 1 1       8   14    7 o    8.205000      0.1800000       8.164000 0.2358000       8.245000      0.2719000     -0.8086000E-01  0.3599000
  1 1 1       8   14    8 o    7.809000      0.2339000       7.804000 0.3646000       7.814000      0.2930000     -0.9634000E-02  0.4677000
  1 1 1       8   14    9 o    4.653000      0.2718000       4.935000 0.3946000       4.370000      0.3739000      0.5656000      0.5437000
  1 1 1       8   14   10 f    23.18000      0.4913000       23.18000 0.4913000                  ?              ?              ?              ?
  1 1 1       8   14   11 o    5.863000      0.3792000       6.118000 0.5978000       5.608000      0.4668000      0.5103000      0.7584000
  1 1 1       8   14   12 o    2.889000      0.9387000                  ?       ?   2.889000      0.9387000                  ?              ?
  1 1 1       8   14   13 o    1.745000      0.5415000       1.277000 0.6177000       2.213000      0.8896000     -0.9362000       1.083000
  1 1 1       8   14   14 o    4.994000      0.2973000       4.990000 0.4073000       4.999000      0.4332000     -0.9680000E-02  0.5946000
  1 1 1       8   14   15 f    6.144000      0.2482000       6.198000 0.3495000       6.090000      0.3526000      0.1075000      0.4964000
  1 1 1       8   14   16 o    7.192000      0.2183000       7.146000 0.3031000       7.238000      0.3142000     -0.9244000E-01  0.4366000
  1 1 1       8   14   17 o    9.845000      0.2226000       9.757000 0.3302000       9.934000      0.2987000     -0.1766000      0.4453000
  1 1 1       8   14   18 o    7.586000      0.2113000       7.746000 0.3184000       7.426000      0.2780000      0.3206000      0.4227000
  1 1 1       8   14   19 o    4.536000      0.2783000       4.524000 0.4355000       4.547000      0.3468000     -0.2346000E-01  0.5567000
  1 1 1       8   14   20 o    4.339000      0.2954000       4.367000 0.4512000       4.311000      0.3813000      0.5608000E-01  0.5908000
  1 1 1       8   14   21 o    6.487000      0.2169000       6.427000 0.3240000       6.548000      0.2884000     -0.1203000      0.4338000
  1 1 1       8   14   22 o    12.70000      0.2180000       12.76000 0.3166000       12.63000      0.2998000      0.1245000      0.4360000
  1 1 1       8   14   23 o    6.715000      0.2861000       6.409000 0.4883000       7.021000      0.2984000     -0.6113000      0.5722000
  1 1 1       8   14   24 o    11.27000      0.2581000       11.86000 0.4278000       10.69000      0.2888000       1.172000      0.5162000
  1 1 1       8   14   25 o    9.741000      0.2073000       9.655000 0.2991000       9.827000      0.2872000     -0.1724000      0.4147000
  1 1 1       8   14   26 o    7.015000      0.2235000       6.748000 0.3293000       7.282000      0.3023000     -0.5335000      0.4470000
  1 1 1       8   14   27 o    4.289000      0.3153000       4.405000 0.4504000       4.174000      0.4414000      0.2310000      0.6307000
  1 1 1       8   14   28 o    7.367000      0.2401000       7.106000 0.3587000       7.627000      0.3194000     -0.5212000      0.4803000
  1 1 1       8   14   29 o    5.662000      0.3514000       5.826000 0.4620000       5.498000      0.5294000      0.3282000      0.7027000
  1 1 1       8   14   30 o    5.219000      0.3939000       5.749000 0.5006000       4.688000      0.6082000       1.061000      0.7878000
  1 1 1       8   14   31 o    5.140000      0.3222000       5.394000 0.4582000       4.886000      0.4529000      0.5086000      0.6443000
  1 1 1       8   14   32 o    6.306000      0.2943000       6.791000 0.4100000       5.820000      0.4223000      0.9716000      0.5886000
  1 1 1       8   14   33 f    2.962000      0.6713000       3.798000 1.016000       2.127000      0.8772000       1.671000       1.343000
  1 1 1       8   14   34 o    3.307000      0.6765000       3.263000 0.9921000       3.351000      0.9200000     -0.8798000E-01   1.353000
  1 1 1       8   14   35 o    3.958000      0.4718000       4.350000 0.6024000       3.565000      0.7263000      0.7843000      0.9436000
  1 1 1       8   15    0 o    11.42000      0.1806000       11.40000 0.2540000       11.44000      0.2569000     -0.3817000E-01  0.3612000
  1 1 1       8   15    1 o    5.346000      0.1537000       5.611000 0.2051000       5.080000      0.2289000      0.5315000      0.3074000
  1 1 1       8   15    2 o    16.46000      0.2336000       16.10000 0.3229000       16.81000      0.3378000     -0.7161000      0.4673000
  1 1 1       8   15    3 o    9.632000      0.1588000       9.731000 0.2222000       9.533000      0.2271000      0.1983000      0.3177000
  1 1 1       8   15    4 o    12.16000      0.1875000       11.86000 0.2548000       12.46000      0.2751000     -0.6056000      0.3750000
  1 1 1       8   15    5 o    10.31000      0.1738000       10.29000 0.2369000       10.33000      0.2543000     -0.4238000E-01  0.3475000
  1 1 1       8   15    6 o    5.525000      0.1809000       5.992000 0.2338000       5.058000      0.2761000      0.9344000      0.3618000
  1 1 1       8   15    7 o    13.92000      0.2572000       13.60000 0.3041000       14.24000      0.4148000     -0.6365000      0.5143000
  1 1 1       8   15    8 o    12.80000      0.2509000       12.84000 0.3337000       12.75000      0.3747000      0.8919000E-01  0.5018000
  1 1 1       8   15    9 o    6.586000      0.2521000       6.765000 0.3694000       6.406000      0.3432000      0.3596000      0.5043000
  1 1 1       8   15   10 o    7.160000      0.3225000       7.876000 0.4999000       6.444000      0.4076000       1.431000      0.6450000
  1 1 1       8   15   11 o    9.572000      0.3119000       9.948000 0.4590000       9.196000      0.4226000      0.7521000      0.6239000
  1 1 1       8   15   12 o    5.112000      0.4799000       4.077000 0.7604000       6.147000      0.5857000      -2.070000      0.9598000
  1 1 1       8   15   13 o    3.423000      0.6122000       3.577000 0.7784000       3.268000      0.9450000      0.3099000       1.224000
  1 1 1       8   15   14 o    6.278000      0.2747000       6.142000 0.3864000       6.415000      0.3905000     -0.2729000      0.5493000
  1 1 1       8   15   15 o    8.228000      0.2458000       8.176000 0.3383000       8.280000      0.3566000     -0.1041000      0.4916000
  1 1 1       8   15   16 o    1.757000      0.4614000       1.686000 0.6272000       1.828000      0.6768000     -0.1423000      0.9228000
  1 1 1       8   15   17 o    4.905000      0.2835000       4.708000 0.4150000       5.102000      0.3864000     -0.3940000      0.5670000
  1 1 1       8   15   18 o    2.264000      0.4613000       2.101000 0.6914000       2.427000      0.6107000     -0.3259000      0.9225000
  1 1 1       8   15   19 o    1.971000      0.4684000       2.358000 0.6974000       1.584000      0.6256000      0.7737000      0.9369000
  1 1 1       8   15   20 o    8.026000      0.2257000       8.250000 0.3367000       7.803000      0.3006000      0.4475000      0.4514000
  1 1 1       8   15   21 o    7.845000      0.2500000       7.717000 0.4021000       7.972000      0.2970000     -0.2547000      0.4999000
  1 1 1       8   15   22 o    17.12000      0.2621000       17.63000 0.3843000       16.61000      0.3566000       1.025000      0.5243000
  1 1 1       8   15   23 o    10.47000      0.2147000       10.70000 0.3153000       10.24000      0.2914000      0.4603000      0.4294000
  1 1 1       8   15   24 o    4.801000      0.3014000       4.755000 0.4594000       4.846000      0.3902000     -0.9156000E-01  0.6028000
  1 1 1       8   15   25 o    3.326000      0.4416000       3.136000 0.6854000       3.516000      0.5571000     -0.3803000      0.8832000
  1 1 1       8   15   26 o    5.053000      0.3977000       5.557000 0.5175000       4.549000      0.6040000       1.008000      0.7954000
  1 1 1       8   15   27 o    3.388000      0.5249000       4.088000 0.6433000       2.687000      0.8297000       1.401000       1.050000
  1 1 1       8   15   28 o    7.289000      0.2421000       7.576000 0.3505000       7.001000      0.3340000      0.5753000      0.4841000
  1 1 1       8   15   29 o    2.216000      0.5256000       1.873000 0.7515000       2.560000      0.7350000     -0.6873000       1.051000
  1 1 1       8   15   30 o    6.865000      0.2827000       6.508000 0.4238000       7.222000      0.3742000     -0.7136000      0.5654000
  1 1 1       8   15   31 o    4.992000      0.6250000       4.714000 1.051000       5.270000      0.6769000     -0.5564000       1.250000
  1 1 1       8   15   32 o    2.045000      0.6474000       2.116000 0.9615000       1.974000      0.8671000      0.1422000       1.295000
  1 1 1       8   15   33 o    5.287000      0.3559000       5.299000 0.4946000       5.275000      0.5120000      0.2397000E-01  0.7119000
  1 1 1       8   15   34 o    4.018000      0.4612000       3.724000 0.7024000       4.312000      0.5977000     -0.5873000      0.9223000
  1 1 1       8   15   35 o    2.389000      0.6009000       2.175000 0.8350000       2.602000      0.8643000     -0.4267000       1.202000
  1 1 1       8   16    0 o    5.632000      0.1614000       5.563000 0.2268000       5.702000      0.2298000     -0.1390000      0.3229000
  1 1 1       8   16    1 o    3.816000      0.1892000       3.891000 0.2526000       3.742000      0.2819000      0.1495000      0.3785000
  1 1 1       8   16    2 o    11.70000      0.1811000       11.98000 0.2572000       11.43000      0.2549000      0.5539000      0.3621000
  1 1 1       8   16    3 o    4.765000      0.1705000       4.876000 0.2187000       4.655000      0.2617000      0.2209000      0.3411000
  1 1 1       8   16    4 o    3.713000      0.1991000       3.573000 0.2680000       3.854000      0.2945000     -0.2809000      0.3982000
  1 1 1       8   16    5 o    3.390000      0.2358000       3.416000 0.3267000       3.364000      0.3400000      0.5132000E-01  0.4715000
  1 1 1       8   16    6 o    6.799000      0.1845000       6.754000 0.2482000       6.843000      0.2731000     -0.8866000E-01  0.3691000
  1 1 1       8   16    7 o    5.772000      0.2215000       5.769000 0.3227000       5.775000      0.3036000     -0.6371000E-02  0.4431000
  1 1 1       8   16    8 o    11.80000      0.2693000       12.20000 0.4098000       11.40000      0.3495000      0.8038000      0.5386000
  1 1 1       8   16    9 o    3.655000      0.4288000       3.850000 0.6445000       3.461000      0.5657000      0.3886000      0.8576000
  1 1 1       8   16   10 o    11.27000      0.2981000       11.28000 0.4372000       11.25000      0.4053000      0.3112000E-01  0.5962000
  1 1 1       8   16   11 o    1.820000      0.5925000       2.124000 0.9459000       1.517000      0.7139000      0.6070000       1.185000
  1 1 1       8   16   12 o    5.118000      0.5147000       4.339000 0.7722000       5.896000      0.6807000      -1.557000       1.029000
  1 1 1       8   16   13 o    5.924000      0.4488000       4.872000 0.6845000       6.976000      0.5805000      -2.105000      0.8975000
  1 1 1       8   16   14 o    6.648000      0.2856000       6.121000 0.3825000       7.174000      0.4241000      -1.052000      0.5711000
  1 1 1       8   16   15 o    5.475000      0.3159000       5.654000 0.3729000       5.296000      0.5101000      0.3584000      0.6319000
  1 1 1       8   16   16 o    2.485000      0.4969000       2.462000 0.7169000       2.508000      0.6881000     -0.4603000E-01  0.9937000
  1 1 1       8   16   17 o    11.16000      0.2409000       11.16000 0.3501000       11.16000      0.3309000      0.2330000E-02  0.4817000
  1 1 1       8   16   18 o    7.663000      0.2424000       7.671000 0.3530000       7.655000      0.3323000      0.1646000E-01  0.4848000
  1 1 1       8   16   19 f    5.706000      0.2681000       5.324000 0.4324000       6.088000      0.3170000     -0.7646000      0.5362000
  1 1 1       8   16   20 o    9.864000      0.2475000       9.446000 0.3871000       10.28000      0.3085000     -0.8364000      0.4950000
  1 1 1       8   16   21 o    6.790000      0.2594000       6.724000 0.3969000       6.855000      0.3339000     -0.1314000      0.5187000
  1 1 1       8   16   22 o    9.687000      0.2337000       9.488000 0.3481000       9.886000      0.3120000     -0.3979000      0.4675000
  1 1 1       8   16   23 o    7.847000      0.3673000       7.801000 0.5656000       7.892000      0.4686000     -0.9114000E-01  0.7345000
  1 1 1       8   16   24 o    4.247000      0.5348000       4.327000 0.7891000       4.166000      0.7222000      0.1606000       1.070000
  1 1 1       8   16   25 o    11.79000      0.3321000       12.12000 0.4848000       11.46000      0.4541000      0.6602000      0.6642000
  1 1 1       8   16   26 o    7.769000      0.2510000       8.100000 0.3722000       7.439000      0.3370000      0.6606000      0.5021000
  1 1 1       8   16   27 o    4.867000      0.3433000       4.663000 0.5352000       5.070000      0.4299000     -0.4069000      0.6865000
  1 1 1       8   16   28 o    1.972000      0.6128000       1.846000 0.8600000       2.098000      0.8732000     -0.2516000       1.226000
  1 1 1       8   16   29 o    5.418000      0.5778000       4.551000 1.000000       6.285000      0.5790000      -1.734000       1.156000
  1 1 1       8   16   30 o    3.738000      0.4652000       3.798000 0.6885000       3.679000      0.6257000      0.1193000      0.9304000
  1 1 1       8   16   31 o    1.994000      0.5617000       2.078000 0.8065000       1.910000      0.7820000      0.1682000       1.123000
  1 1 1       8   16   32 o    7.599000      0.2895000       7.785000 0.4189000       7.412000      0.3996000      0.3732000      0.5790000
  1 1 1       8   16   33 o    3.157000      0.5714000       3.314000 0.7799000       3.001000      0.8353000      0.3136000       1.143000
  1 1 1       8   16   34 o    1.728000      0.5350000       1.776000 0.7662000       1.680000      0.7469000      0.9578000E-01   1.070000
  1 1 1       8   17    0 o    6.529000      0.1567000       6.360000 0.2143000       6.697000      0.2287000     -0.3371000      0.3134000
  1 1 1       8   17    1 o    4.759000      0.1686000       4.796000 0.2188000       4.722000      0.2566000      0.7425000E-01  0.3372000
  1 1 1       8   17    2 o    2.436000      0.2932000       2.040000 0.4277000       2.833000      0.4012000     -0.7922000      0.5864000
  1 1 1       8   17    3 o    3.448000      0.2331000       3.153000 0.3189000       3.744000      0.3401000     -0.5911000      0.4662000
  1 1 1       8   17    4 o    5.631000      0.1745000       5.267000 0.2362000       5.996000      0.2570000     -0.7286000      0.3490000
  1 1 1       8   17    5 o    8.383000      0.1855000       8.562000 0.2431000       8.203000      0.2804000      0.3590000      0.3711000
  1 1 1       8   17    6 o    3.356000      0.2910000       3.181000 0.4255000       3.531000      0.3971000     -0.3500000      0.5820000
  1 1 1       8   17    7 o    8.299000      0.2191000       8.503000 0.3164000       8.095000      0.3033000      0.4078000      0.4383000
  1 1 1       8   17    8 o    5.050000      0.2727000       5.255000 0.4038000       4.844000      0.3667000      0.4106000      0.5455000
  1 1 1       8   17    9 o    14.44000      0.2835000       14.87000 0.3924000       14.02000      0.4094000      0.8426000      0.5670000
  1 1 1       8   17   10 o    8.950000      0.3375000       9.264000 0.5202000       8.637000      0.4300000      0.6267000      0.6749000
  1 1 1       8   17   11 o    4.793000      0.5676000       4.880000 0.9432000       4.706000      0.6318000      0.1739000       1.135000
  1 1 1       8   17   12 o    2.399000      0.6614000       2.340000 0.9092000       2.459000      0.9608000     -0.1190000       1.323000
  1 1 1       8   17   13 o    2.480000      0.6527000       2.487000 0.7993000       2.473000       1.032000      0.1361000E-01   1.305000
  1 1 1       8   17   14 o    5.307000      0.3705000       4.824000 0.4763000       5.789000      0.5677000     -0.9650000      0.7411000
  1 1 1       8   17   15 o    7.090000      0.2868000       6.764000 0.3955000       7.417000      0.4155000     -0.6527000      0.5736000
  1 1 1       8   17   16 o    11.99000      0.2634000       11.98000 0.3861000       12.00000      0.3584000     -0.2091000E-01  0.5269000
  1 1 1       8   17   17 f    4.051000      0.3596000       3.979000 0.5281000       4.124000      0.4881000     -0.1446000      0.7191000
  1 1 1       8   17   18 o    7.954000      0.2514000       8.035000 0.3745000       7.872000      0.3356000      0.1627000      0.5028000
  1 1 1       8   17   19 o    6.867000      0.9385000       5.698000 1.651000       8.036000      0.8937000      -2.338000       1.877000
  1 1 1       8   17   20 o    9.570000      0.5385000       9.995000 0.8960000       9.145000      0.5976000      0.8503000       1.077000
  1 1 1       8   17   21 o    11.69000      0.4871000       12.28000 0.7951000       11.10000      0.5629000       1.175000      0.9742000
  1 1 1       8   17   22 o    5.668000      0.6022000       6.521000 1.139000       4.814000      0.3927000       1.707000       1.204000
  1 1 1       8   17   23 o    6.382000      0.2892000       5.699000 0.4662000       7.064000      0.3423000      -1.364000      0.5784000
  1 1 1       8   17   24 o    9.126000      0.2397000       9.288000 0.3622000       8.963000      0.3141000      0.3251000      0.4795000
  1 1 1       8   17   25 o    7.152000      0.3249000       7.384000 0.5614000       6.919000      0.3274000      0.4649000      0.6499000
  1 1 1       8   17   26 o    2.468000      0.6472000       2.693000 0.9729000       2.242000      0.8539000      0.4515000       1.294000
  1 1 1       8   17   27 o    8.236000      0.3805000       8.119000 0.5930000       8.353000      0.4770000     -0.2340000      0.7610000
  1 1 1       8   17   28 o    7.321000      0.2896000       7.447000 0.4317000       7.194000      0.3860000      0.2535000      0.5791000
  1 1 1       8   17   29 o    5.327000      0.3463000       5.140000 0.5163000       5.514000      0.4615000     -0.3741000      0.6925000
  1 1 1       8   17   30 o    4.082000      0.4466000       4.154000 0.6309000       4.010000      0.6323000      0.1432000      0.8932000
  1 1 1       8   17   31 o    4.940000      0.3902000       5.281000 0.5368000       4.599000      0.5665000      0.6823000      0.7804000
  1 1 1       8   17   32 o    5.523000      0.3763000       5.150000 0.5715000       5.896000      0.4895000     -0.7467000      0.7525000
  1 1 1       8   17   33 o    2.899000      0.5702000       3.658000 0.7842000       2.139000      0.8280000       1.519000       1.140000
  1 1 1       8   17   34 o    2.076000      0.5785000       2.385000 0.8664000       1.767000      0.7667000      0.6187000       1.157000
  1 1 1       8   18    0 o    10.85000      0.1801000       10.78000 0.2509000       10.92000      0.2584000     -0.1437000      0.3602000
  1 1 1       8   18    1 o    1.756000      0.3506000       1.474000 0.4994000       2.038000      0.4921000     -0.5642000      0.7011000
  1 1 1       8   18    2 f    6.810000      0.2005000       7.180000 0.2218000       6.440000      0.3342000      0.7394000      0.4011000
  1 1 1       8   18    3 o    6.503000      0.1738000       6.463000 0.2300000       6.544000      0.2606000     -0.8105000E-01  0.3476000
  1 1 1       8   18    4 o    7.994000      0.1804000       8.138000 0.2393000       7.850000      0.2700000      0.2885000      0.3608000
  1 1 1       8   18    5 o    5.030000      0.2181000       5.399000 0.2802000       4.661000      0.3343000      0.7380000      0.4362000
  1 1 1       8   18    6 o    1.190000      0.3780000       1.002000 0.4787000       1.378000      0.5851000     -0.3762000      0.7560000
  1 1 1       8   18    7 o    7.842000      0.2335000       8.129000 0.3336000       7.555000      0.3268000      0.5735000      0.4670000
  1 1 1       8   18    8 o    2.934000      0.4619000       3.308000 0.6615000       2.560000      0.6448000      0.7477000      0.9238000
  1 1 1       8   18    9 o    10.58000      0.3214000       9.778000 0.5128000       11.39000      0.3875000      -1.608000      0.6428000
  1 1 1       8   18   10 o    6.461000      0.4394000       6.906000 0.6757000       6.017000      0.5619000      0.8888000      0.8788000
  1 1 1       8   18   11 o    4.148000       1.036000       4.148000 1.036000                  ?              ?              ?              ?
  1 1 1       8   18   12 o    7.286000      0.3506000       6.830000 0.4937000       7.742000      0.4980000     -0.9121000      0.7012000
  1 1 1       8   18   13 o    4.017000       1.081000                  ?       ?   4.017000       1.081000                  ?              ?
  1 1 1       8   18   14 o    6.107000       1.005000       6.090000 1.595000       6.124000       1.223000     -0.3328000E-01   2.010000
  1 1 1       8   18   15 o    6.755000       1.149000       6.124000 2.055000       7.386000       1.031000      -1.262000       2.299000
  1 1 1       8   18   16 o    5.451000      0.9915000       3.729000 1.668000       7.174000       1.072000      -3.445000       1.983000
  1 1 1       8   18   17 o    4.213000       1.179000       5.020000 1.944000       3.406000       1.335000       1.614000       2.358000
  1 1 1       8   18   18 o    9.226000      0.9056000       10.20000 1.558000       8.253000      0.9227000       1.945000       1.811000
  1 1 1       8   18   19 o    4.531000      0.3678000       4.358000 0.5798000       4.704000      0.4528000     -0.3462000      0.7357000
  1 1 1       8   18   20 o    16.37000      0.2842000       16.37000 0.4187000       16.37000      0.3844000     -0.6905000E-03  0.5684000
  1 1 1       8   18   21 f    7.531000      0.2759000       7.417000 0.4278000       7.644000      0.3486000     -0.2264000      0.5519000
  1 1 1       8   18   22 o    1.705000      0.5248000       1.763000 0.7696000       1.646000      0.7137000      0.1169000       1.050000
  1 1 1       8   18   23 o    6.568000      0.3408000       6.811000 0.5045000       6.324000      0.4585000      0.4877000      0.6817000
  1 1 1       8   18   24 o    8.307000      0.3277000       8.693000 0.4909000       7.920000      0.4343000      0.7727000      0.6555000
  1 1 1       8   18   25 o    7.515000      0.2730000       7.450000 0.4194000       7.581000      0.3496000     -0.1316000      0.5459000
  1 1 1       8   18   26 o    10.78000      0.2439000       10.88000 0.3622000       10.68000      0.3269000      0.1999000      0.4879000
  1 1 1       8   18   27 o    3.221000      0.5612000       2.730000 0.8964000       3.712000      0.6755000     -0.9819000       1.122000
  1 1 1       8   18   28 o    2.982000      0.5948000       2.822000 0.8977000       3.143000      0.7804000     -0.3203000       1.190000
  1 1 1       8   18   29 o    1.882000      0.5585000       2.178000 0.8581000       1.586000      0.7150000      0.5911000       1.117000
  1 1 1       8   18   30 o    2.641000      0.5848000       3.194000 0.8337000       2.087000      0.8202000       1.107000       1.170000
  1 1 1       8   18   31 o    4.821000      0.4228000       5.326000 0.5594000       4.317000      0.6342000       1.009000      0.8456000
  1 1 1       8   18   32 o    3.188000      0.6041000       3.338000 0.8574000       3.038000      0.8513000      0.2999000       1.208000
  1 1 1       8   18   33 o    3.160000      0.5984000       2.879000 0.8750000       3.441000      0.8166000     -0.5613000       1.197000
  1 1 1       8   19    0 o    6.456000      0.2606000       6.582000 0.3384000       6.330000      0.3964000      0.2527000      0.5212000
  1 1 1       8   19    1 o    6.539000      0.2304000       6.763000 0.2989000       6.316000      0.3507000      0.4476000      0.4608000
  1 1 1       8   19    2 o    2.643000      0.4230000       2.473000 0.5615000       2.813000      0.6329000     -0.3401000      0.8461000
  1 1 1       8   19    3 o    8.418000      0.2255000       8.274000 0.3095000       8.561000      0.3280000     -0.2868000      0.4510000
  1 1 1       8   19    4 f    6.719000      0.2275000       6.471000 0.3229000       6.966000      0.3207000     -0.4950000      0.4551000
  1 1 1       8   19    5 o    4.068000      0.2708000       3.877000 0.3862000       4.260000      0.3797000     -0.3828000      0.5416000
  1 1 1       8   19    6 o    1.789000      0.4584000       1.833000 0.6615000       1.745000      0.6347000      0.8810000E-01  0.9167000
  1 1 1       8   19    7 o    3.028000      0.4729000       3.767000 0.6343000       2.290000      0.7017000       1.477000      0.9459000
  1 1 1       8   19    8 o    2.309000      0.5231000       2.842000 0.7794000       1.775000      0.6979000       1.067000       1.046000
  1 1 1       8   19    9 o    3.131000      0.5830000       2.579000 0.9498000       3.682000      0.6765000      -1.104000       1.166000
  1 1 1       8   19   10 o    9.467000      0.4340000       8.992000 0.7366000       9.943000      0.4594000     -0.9513000      0.8681000
  1 1 1       8   19   11 o    2.498000       1.127000       2.498000 1.127000                  ?              ?              ?              ?
  1 1 1       8   19   12 f    2.495000      0.7465000       2.290000 1.084000       2.701000       1.027000     -0.4113000       1.493000
  1 1 1       8   19   13 o    12.97000      0.4627000                  ?       ?   12.97000      0.4627000                  ?              ?
  1 1 1       8   19   14 o    13.53000      0.3185000       13.84000 0.4767000       13.22000      0.4226000      0.6272000      0.6371000
  1 1 1       8   19   15 o    13.66000      0.2997000       13.59000 0.4456000       13.74000      0.4009000     -0.1441000      0.5994000
  1 1 1       8   19   16 o    12.56000      0.2999000       12.59000 0.4438000       12.52000      0.4035000      0.7346000E-01  0.5998000
  1 1 1       8   19   17 o    11.35000      0.2745000       11.25000 0.4057000       11.44000      0.3699000     -0.1902000      0.5490000
  1 1 1       8   19   18 o    5.856000      0.3390000       5.654000 0.4884000       6.058000      0.4703000     -0.4036000      0.6780000
  1 1 1       8   19   19 o    6.232000      0.3253000       6.300000 0.4861000       6.164000      0.4325000      0.1357000      0.6507000
  1 1 1       8   19   20 o    5.834000      0.3271000       6.188000 0.4703000       5.481000      0.4546000      0.7066000      0.6541000
  1 1 1       8   19   21 o    3.388000      0.4719000       3.517000 0.7139000       3.260000      0.6175000      0.2562000      0.9439000
  1 1 1       8   19   22 o    3.481000      0.5036000       4.380000 0.6447000       2.582000      0.7739000       1.798000       1.007000
  1 1 1       8   19   23 o    8.470000      0.2757000       8.546000 0.4155000       8.395000      0.3625000      0.1508000      0.5514000
  1 1 1       8   19   24 o    9.971000      0.2664000       10.06000 0.3934000       9.879000      0.3593000      0.1845000      0.5328000
  1 1 1       8   19   25 o    8.016000      0.2855000       7.658000 0.4412000       8.374000      0.3624000     -0.7157000      0.5710000
  1 1 1       8   19   26 o    4.392000      0.4366000       4.643000 0.6461000       4.141000      0.5873000      0.5020000      0.8731000
  1 1 1       8   19   27 o    3.311000      0.5609000       3.559000 0.8199000       3.063000      0.7656000      0.4957000       1.122000
  1 1 1       8   19   28 o    6.297000      0.3481000       5.868000 0.5464000       6.727000      0.4316000     -0.8590000      0.6963000
  1 1 1       8   19   29 f    2.944000      0.6105000       3.588000 0.8573000       2.300000      0.8695000       1.288000       1.221000
  1 1 1       8   19   30 o    3.690000      0.5747000       3.264000 0.9005000       4.116000      0.7144000     -0.8522000       1.149000
  1 1 1       8   19   31 o    4.906000      0.4659000       4.648000 0.7430000       5.165000      0.5623000     -0.5174000      0.9318000
  1 1 1       8   19   32 o    3.429000      0.6097000       3.387000 0.8979000       3.471000      0.8250000     -0.8447000E-01   1.219000
  1 1 1       8   19   33 o    2.275000      0.6109000       2.594000 0.8982000       1.956000      0.8284000      0.6384000       1.222000
  1 1 1       8   20    0 o    6.691000      0.1706000       6.641000 0.2328000       6.741000      0.2495000     -0.1004000      0.3412000
  1 1 1       8   20    1 o    6.355000      0.2372000       6.438000 0.3734000       6.271000      0.2924000      0.1674000      0.4743000
  1 1 1       8   20    2 o    6.282000      0.1920000       6.478000 0.2451000       6.086000      0.2956000      0.3923000      0.3839000
  1 1 1       8   20    3 o    13.47000      0.2821000       13.96000 0.4651000       12.97000      0.3194000      0.9962000      0.5642000
  1 1 1       8   20    4 o    6.117000      0.2175000       6.271000 0.2918000       5.962000      0.3226000      0.3094000      0.4350000
  1 1 1       8   20    5 o    3.521000      0.3185000       3.647000 0.4115000       3.395000      0.4861000      0.2524000      0.6369000
  1 1 1       8   20    6 o    1.930000      0.4826000       2.104000 0.6948000       1.757000      0.6700000      0.3461000      0.9652000
  1 1 1       8   20    7 o    6.771000      0.2636000       6.878000 0.3746000       6.664000      0.3709000      0.2146000      0.5272000
  1 1 1       8   20    8 o    3.796000      0.3896000       4.149000 0.5524000       3.443000      0.5496000      0.7060000      0.7792000
  1 1 1       8   20    9 o    4.118000      0.5196000       3.638000 0.8653000       4.598000      0.5753000     -0.9594000       1.039000
  1 1 1       8   20   10 o    6.653000      0.4436000       6.606000 0.7101000       6.700000      0.5317000     -0.9429000E-01  0.8871000
  1 1 1       8   20   11 o    5.419000      0.4895000       5.872000 0.7306000       4.966000      0.6516000      0.9053000      0.9790000
  1 1 1       8   20   12 o    4.705000      0.5422000       5.455000 0.6432000       3.956000      0.8731000       1.499000       1.084000
  1 1 1       8   20   13 o    5.131000      0.7588000       4.113000 0.9534000       6.148000       1.181000      -2.035000       1.518000
  1 1 1       8   20   14 o    6.410000      0.5144000       5.576000 0.7040000       7.243000      0.7501000      -1.667000       1.029000
  1 1 1       8   20   15 o    5.600000      0.4197000       5.549000 0.5374000       5.652000      0.6448000     -0.1029000      0.8394000
  1 1 1       8   20   16 o    6.605000      0.3691000       6.116000 0.5200000       7.094000      0.5241000     -0.9785000      0.7383000
  1 1 1       8   20   17 o    5.257000      0.3955000       5.217000 0.5697000       5.298000      0.5488000     -0.8063000E-01  0.7911000
  1 1 1       8   20   18 o    4.348000      0.4483000       5.209000 0.5447000       3.487000      0.7121000       1.723000      0.8966000
  1 1 1       8   20   19 o    8.994000      0.2838000       8.868000 0.4232000       9.121000      0.3781000     -0.2526000      0.5675000
  1 1 1       8   20   20 o    2.769000      0.5559000       2.415000 0.8388000       3.123000      0.7298000     -0.7084000       1.112000
  1 1 1       8   20   21 o    6.731000      0.3049000       6.312000 0.4613000       7.150000      0.3990000     -0.8386000      0.6099000
  1 1 1       8   20   22 o    2.700000      0.5647000       3.301000 0.8228000       2.098000      0.7737000       1.203000       1.129000
  1 1 1       8   20   23 o    4.157000      0.4891000       3.905000 0.7903000       4.409000      0.5765000     -0.5039000      0.9783000
  1 1 1       8   20   24 o    6.428000      0.3212000       6.690000 0.4735000       6.165000      0.4340000      0.5251000      0.6423000
  1 1 1       8   20   25 o    4.457000      0.4748000       5.060000 0.6464000       3.854000      0.6957000       1.206000      0.9497000
  1 1 1       8   20   26 o    3.354000      0.5985000       3.311000 0.9203000       3.397000      0.7653000     -0.8537000E-01   1.197000
  1 1 1       8   20   27 o    2.573000      0.5870000       2.025000 0.8476000       3.121000      0.8124000      -1.096000       1.174000
  1 1 1       8   20   28 o    1.877000      0.5582000       1.569000 0.7339000       2.185000      0.8411000     -0.6164000       1.116000
  1 1 1       8   20   29 o    2.461000      0.6407000       2.812000 0.9610000       2.111000      0.8475000      0.7013000       1.281000
  1 1 1       8   20   30 o    3.155000      0.6295000       2.694000 0.9603000       3.616000      0.8142000     -0.9229000       1.259000
  1 1 1       8   20   31 o    3.654000      0.6115000       3.378000 0.9547000       3.929000      0.7644000     -0.5517000       1.223000
  1 1 1       8   20   32 o    2.614000      0.6537000       2.507000 0.9125000       2.720000      0.9362000     -0.2127000       1.307000
  1 1 1       8   21    0 o    10.36000      0.2671000       10.58000 0.3695000       10.14000      0.3856000      0.4399000      0.5341000
  1 1 1       8   21    1 o    5.972000      0.3031000       5.491000 0.3991000       6.453000      0.4562000     -0.9621000      0.6061000
  1 1 1       8   21    2 o    5.172000      0.3720000       5.444000 0.4494000       4.901000      0.5931000      0.5432000      0.7441000
  1 1 1       8   21    3 o    5.709000      0.5678000       5.430000 0.6272000       5.988000      0.9465000     -0.5582000       1.136000
  1 1 1       8   21    4 o    4.206000      0.8194000       3.976000 0.8720000       4.435000       1.388000     -0.4594000       1.639000
  1 1 1       8   21    5 o    4.880000      0.6644000       4.947000 0.8262000       4.812000       1.041000      0.1350000       1.329000
  1 1 1       8   21    6 o    4.184000      0.8163000       5.418000 1.174000       2.950000       1.135000       2.468000       1.633000
  1 1 1       8   21    7 o    5.032000      0.8151000       5.797000 1.186000       4.268000       1.118000       1.529000       1.630000
  1 1 1       8   21    8 o    3.702000      0.9535000       4.315000 1.360000       3.089000       1.337000       1.227000       1.907000
  1 1 1       8   21    9 o    3.740000       1.045000       3.200000 1.283000       4.280000       1.651000      -1.081000       2.091000
  1 1 1       8   21   10 o    7.572000      0.4259000       8.014000 0.6631000       7.129000      0.5347000      0.8843000      0.8518000
  1 1 1       8   21   11 o    9.483000      0.5331000       9.356000 0.9305000       9.611000      0.5204000     -0.2547000       1.066000
  1 1 1       8   21   12 o    3.551000      0.6993000       4.260000 0.9737000       2.842000       1.004000       1.419000       1.399000
  1 1 1       8   21   13 o    3.798000      0.7624000       2.963000 1.070000       4.634000       1.086000      -1.671000       1.525000
  1 1 1       8   21   14 o    8.972000      0.3996000       8.699000 0.5603000       9.244000      0.5700000     -0.5446000      0.7993000
  1 1 1       8   21   15 o    10.45000      0.3106000       10.05000 0.4508000       10.84000      0.4275000     -0.7819000      0.6212000
  1 1 1       8   21   16 o    10.38000      0.3121000       10.00000 0.4398000       10.75000      0.4429000     -0.7476000      0.6242000
  1 1 1       8   21   17 o    5.274000      0.4298000       5.884000 0.5379000       4.665000      0.6704000       1.218000      0.8595000
  1 1 1       8   21   18 o    2.710000      0.5866000       3.110000 0.8315000       2.309000      0.8276000      0.8004000       1.173000
  1 1 1       8   21   19 o    4.551000      0.7104000       3.187000 1.337000       5.915000      0.4806000      -2.728000       1.421000
  1 1 1       8   21   20 o    4.252000      0.4564000       3.825000 0.7327000       4.679000      0.5445000     -0.8531000      0.9129000
  1 1 1       8   21   21 o    9.131000      0.2955000       9.098000 0.4541000       9.164000      0.3782000     -0.6551000E-01  0.5910000
  1 1 1       8   21   22 o    2.298000      0.5659000       2.917000 0.8649000       1.679000      0.7301000       1.239000       1.132000
  1 1 1       8   21   23 o    4.400000      0.4605000       4.892000 0.6309000       3.907000      0.6710000      0.9848000      0.9211000
  1 1 1       8   21   24 o    3.920000      0.5399000       3.502000 0.8917000       4.337000      0.6090000     -0.8350000       1.080000
  1 1 1       8   21   25 o    8.227000      0.3085000       8.158000 0.4813000       8.296000      0.3861000     -0.1374000      0.6170000
  1 1 1       8   21   26 o    5.974000      0.3968000       6.001000 0.6084000       5.948000      0.5097000      0.5298000E-01  0.7937000
  1 1 1       8   21   27 f    2.058000      0.6077000       2.100000 0.8896000       2.015000      0.8282000      0.8430000E-01   1.215000
  1 1 1       8   21   28 o    3.559000      0.5933000       3.207000 0.9482000       3.910000      0.7134000     -0.7027000       1.187000
  1 1 1       8   21   29 o    2.048000      0.6105000       1.972000 0.8785000       2.125000      0.8479000     -0.1524000       1.221000
  1 1 1       8   21   30 o    3.566000      0.6249000       3.955000 0.8806000       3.177000      0.8869000      0.7783000       1.250000
  1 1 1       8   21   31 o    1.993000      0.6117000       2.129000 0.9018000       1.857000      0.8266000      0.2713000       1.223000
  1 1 1       8   22    0 o    9.282000      0.1887000       9.297000 0.2530000       9.266000      0.2801000      0.3114000E-01  0.3774000
  1 1 1       8   22    1 o    6.719000      0.1994000       6.978000 0.2531000       6.461000      0.3082000      0.5172000      0.3988000
  1 1 1       8   22    2 o    7.853000      0.2092000       7.968000 0.2725000       7.739000      0.3174000      0.2292000      0.4183000
  1 1 1       8   22    3 o    9.670000      0.2172000       10.08000 0.2857000       9.258000      0.3272000      0.8238000      0.4344000
  1 1 1       8   22    4 o    4.046000      0.2885000       3.851000 0.3912000       4.241000      0.4242000     -0.3900000      0.5771000
  1 1 1       8   22    5 o    5.084000      0.2797000       5.027000 0.3906000       5.142000      0.4005000     -0.1150000      0.5594000
  1 1 1       8   22    6 o    10.31000      0.2623000       10.68000 0.3696000       9.941000      0.3722000      0.7381000      0.5245000
  1 1 1       8   22    7 o    5.872000      0.3209000       5.902000 0.4808000       5.842000      0.4252000      0.5984000E-01  0.6418000
  1 1 1       8   22    8 o    3.182000      0.5435000       3.094000 0.8361000       3.270000      0.6947000     -0.1759000       1.087000
  1 1 1       8   22    9 o    2.023000      0.5970000       1.874000 0.8435000       2.173000      0.8451000     -0.2986000       1.194000
  1 1 1       8   22   10 o    7.447000      0.4503000       7.958000 0.6363000       6.935000      0.6374000       1.023000      0.9006000
  1 1 1       8   22   11 o    3.199000      0.7751000       3.111000 1.163000       3.288000       1.025000     -0.1772000       1.550000
  1 1 1       8   22   12 f    8.164000      0.3932000       8.251000 0.5900000       8.077000      0.5199000      0.1740000      0.7864000
  1 1 1       8   22   13 o    8.969000      0.5781000       8.715000 0.5936000       9.222000      0.9921000     -0.5070000       1.156000
  1 1 1       8   22   14 o    3.227000      0.7624000       2.675000 0.9521000       3.779000       1.191000      -1.104000       1.525000
  1 1 1       8   22   15 o    10.09000      0.3358000       10.35000 0.4860000       9.823000      0.4635000      0.5239000      0.6716000
  1 1 1       8   22   16 o    10.66000      0.3281000       10.24000 0.4785000       11.08000      0.4490000     -0.8357000      0.6562000
  1 1 1       8   22   17 o    9.405000      0.3141000       8.890000 0.4475000       9.921000      0.4408000      -1.032000      0.6281000
  1 1 1       8   22   18 o    2.401000      0.5936000       2.102000 0.8168000       2.699000      0.8617000     -0.5973000       1.187000
  1 1 1       8   22   19 o    4.241000      0.4727000       4.204000 0.6844000       4.279000      0.6523000     -0.7542000E-01  0.9455000
  1 1 1       8   22   20 o    4.392000      0.4725000       3.695000 0.7654000       5.089000      0.5543000      -1.394000      0.9451000
  1 1 1       8   22   21 o    3.571000      0.5245000       3.842000 0.7522000       3.300000      0.7312000      0.5420000       1.049000
  1 1 1       8   22   22 o    3.294000      0.5748000       3.602000 0.8371000       2.987000      0.7878000      0.6150000       1.150000
  1 1 1       8   22   23 o    4.595000      0.4609000       5.215000 0.6135000       3.976000      0.6879000       1.239000      0.9217000
  1 1 1       8   22   24 f    3.654000      0.5786000       4.400000 0.7738000       2.909000      0.8604000       1.491000       1.157000
  1 1 1       8   22   25 o    2.881000      0.6621000       2.802000 0.9746000       2.960000      0.8965000     -0.1576000       1.324000
  1 1 1       8   22   26 o    2.249000      0.6328000       2.831000 1.009000       1.666000      0.7645000       1.166000       1.266000
  1 1 1       8   22   27 o    2.167000      0.6194000       2.818000 1.009000       1.517000      0.7181000       1.301000       1.239000
  1 1 1       8   22   28 o    5.376000      0.5059000       4.840000 0.8377000       5.911000      0.5675000      -1.070000       1.012000
  1 1 1       8   22   29 o    2.657000      0.6472000       2.147000 0.9177000       3.168000      0.9129000      -1.021000       1.294000
  1 1 1       8   22   30 f    2.488000      0.6684000       2.917000 1.009000       2.058000      0.8766000      0.8585000       1.337000
  1 1 1       8   22   31 o    2.619000      0.7005000       3.279000 1.103000       1.959000      0.8640000       1.319000       1.401000
  1 1 1       8   23    0 o    5.375000      0.2319000       5.154000 0.3020000       5.597000      0.3521000     -0.4427000      0.4639000
  1 1 1       8   23    1 o    4.817000      0.3233000       5.720000 0.3017000       3.914000      0.5720000       1.806000      0.6467000
  1 1 1       8   23    2 o    4.205000      0.3442000       4.189000 0.4131000       4.222000      0.5506000     -0.3328000E-01  0.6884000
  1 1 1       8   23    3 o    2.370000      0.5053000       2.319000 0.6567000       2.422000      0.7681000     -0.1027000       1.011000
  1 1 1       8   23    4 o    4.348000      0.3250000       4.162000 0.4358000       4.533000      0.4823000     -0.3703000      0.6500000
  1 1 1       8   23    5 o    7.165000      0.2554000       7.028000 0.3531000       7.302000      0.3691000     -0.2740000      0.5108000
  1 1 1       8   23    6 o    2.379000      0.5738000       2.557000 0.8105000       2.201000      0.8125000      0.3555000       1.148000
  1 1 1       8   23    7 o    1.888000      0.5628000       2.120000 0.8510000       1.655000      0.7369000      0.4652000       1.126000
  1 1 1       8   23    8 o    7.344000      0.3255000       7.859000 0.4822000       6.828000      0.4372000       1.031000      0.6509000
  1 1 1       8   23    9 o    3.205000      0.6895000       3.462000 0.9780000       2.947000      0.9722000      0.5147000       1.379000
  1 1 1       8   23   10 o    8.411000      0.4445000       8.242000 0.6649000       8.580000      0.5901000     -0.3378000      0.8890000
  1 1 1       8   23   11 o    15.41000      0.3842000       15.66000 0.5186000       15.17000      0.5671000      0.4914000      0.7685000
  1 1 1       8   23   12 o    10.41000      0.5453000       10.41000 0.5453000                  ?              ?              ?              ?
  1 1 1       8   23   13 o    9.375000      0.4227000       9.312000 0.5719000       9.439000      0.6226000     -0.1268000      0.8454000
  1 1 1       8   23   14 o    9.766000      0.5905000                  ?       ?   9.766000      0.5905000                  ?              ?
  1 1 1       8   23   15 o    3.314000      0.6407000       3.818000 0.7609000       2.811000       1.031000       1.007000       1.281000
  1 1 1       8   23   16 o    4.397000      0.5807000       4.989000 0.6388000       3.806000      0.9699000       1.183000       1.161000
  1 1 1       8   23   17 o    4.214000      0.5627000       4.449000 0.7168000       3.978000      0.8676000      0.4701000       1.125000
  1 1 1       8   23   18 o    4.016000      0.5284000       3.501000 0.8253000       4.532000      0.6602000      -1.032000       1.057000
  1 1 1       8   23   19 o    9.490000      0.3153000       9.416000 0.4847000       9.564000      0.4033000     -0.1478000      0.6306000
  1 1 1       8   23   20 o    5.338000      0.4021000       5.699000 0.5390000       4.977000      0.5969000      0.7218000      0.8043000
  1 1 1       8   23   21 o    6.870000      0.3486000       6.349000 0.5388000       7.391000      0.4424000      -1.042000      0.6971000
  1 1 1       8   23   22 o    2.036000      0.5877000       2.358000 0.9055000       1.715000      0.7495000      0.6434000       1.175000
  1 1 1       8   23   23 o    4.366000      0.5086000       4.303000 0.7969000       4.428000      0.6321000     -0.1249000       1.017000
  1 1 1       8   23   24 o    2.015000      0.6097000       2.225000 0.9262000       1.805000      0.7931000      0.4204000       1.219000
  1 1 1       8   23   25 o    5.050000      0.4848000       4.951000 0.7410000       5.148000      0.6252000     -0.1967000      0.9695000
  1 1 1       8   23   26 o    2.864000      0.6293000       2.070000 0.9056000       3.658000      0.8740000      -1.588000       1.259000
  1 1 1       8   23   27 o    2.486000      0.6717000       3.030000 1.037000       1.942000      0.8545000       1.088000       1.343000
  1 1 1       8   23   28 o    4.221000      0.6434000       4.521000 0.9236000       3.921000      0.8959000      0.5992000       1.287000
  1 1 1       8   23   29 o    4.013000      0.6391000       3.436000 1.011000       4.591000      0.7821000      -1.155000       1.278000
  1 1 1       8   23   30 o    2.459000      0.7513000       1.632000 0.7791000       3.286000       1.285000      -1.654000       1.503000
  1 1 1       8   24    0 o    5.193000      0.2726000       5.423000 0.3103000       4.962000      0.4484000      0.4614000      0.5453000
  1 1 1       8   24    1 o    2.663000      0.4930000       2.772000 0.5937000       2.553000      0.7873000      0.2191000      0.9861000
  1 1 1       8   24    2 o    4.479000      0.3376000       4.800000 0.3963000       4.157000      0.5466000      0.6426000      0.6751000
  1 1 1       8   24    3 o    1.397000      0.4378000       1.274000 0.5797000       1.521000      0.6563000     -0.2473000      0.8757000
  1 1 1       8   24    4 o    3.049000      0.4650000       2.741000 0.6556000       3.358000      0.6596000     -0.6167000      0.9299000
  1 1 1       8   24    5 o    6.980000      0.2942000       7.224000 0.3988000       6.736000      0.4325000      0.4889000      0.5883000
  1 1 1       8   24    6 o    5.853000      0.3366000       5.632000 0.5069000       6.073000      0.4430000     -0.4419000      0.6732000
  1 1 1       8   24    7 o    8.434000      0.3051000       8.159000 0.4516000       8.710000      0.4103000     -0.5501000      0.6102000
  1 1 1       8   24    8 o    1.953000      0.5612000       2.588000 0.9257000       1.319000      0.6346000       1.269000       1.122000
  1 1 1       8   24    9 f    5.557000      0.4854000       4.922000 0.7791000       6.192000      0.5792000      -1.269000      0.9708000
  1 1 1       8   24   10 o    4.437000      0.7045000       5.382000 0.9744000       3.491000       1.018000       1.890000       1.409000
  1 1 1       8   24   11 o    10.22000      0.4085000       9.314000 0.6162000       11.14000      0.5364000      -1.821000      0.8170000
  1 1 1       8   24   12 o    10.71000      0.5257000       10.71000 0.5257000                  ?              ?              ?              ?
  1 1 1       8   24   13 o    7.209000      0.4865000       7.359000 0.6450000       7.058000      0.7285000      0.3006000      0.9730000
  1 1 1       8   24   14 o    4.793000       1.114000                  ?       ?   4.793000       1.114000                  ?              ?
  1 1 1       8   24   15 o    2.641000      0.6879000       2.561000 0.9252000       2.722000       1.018000     -0.1615000       1.376000
  1 1 1       8   24   16 o    2.863000      0.6890000       2.842000 0.9323000       2.883000       1.015000     -0.4128000E-01   1.378000
  1 1 1       8   24   17 o    2.822000      0.6339000       2.031000 0.8522000       3.614000      0.9387000      -1.584000       1.268000
  1 1 1       8   24   18 o    4.703000      0.4918000       4.240000 0.7733000       5.167000      0.6079000     -0.9272000      0.9837000
  1 1 1       8   24   19 o    7.378000      0.3673000       7.274000 0.5752000       7.482000      0.4571000     -0.2078000      0.7347000
  1 1 1       8   24   20 o    3.208000      0.6033000       2.418000 0.9358000       3.998000      0.7615000      -1.579000       1.207000
  1 1 1       8   24   21 o    3.114000      0.6306000       2.796000 0.9670000       3.433000      0.8096000     -0.6370000       1.261000
  1 1 1       8   24   22 o    2.038000      0.5913000       1.991000 0.8516000       2.085000      0.8204000     -0.9432000E-01   1.183000
  1 1 1       8   24   23 o    3.501000      0.6203000       3.514000 0.9227000       3.489000      0.8293000      0.2524000E-01   1.241000
  1 1 1       8   24   24 o    3.509000      0.6985000       3.376000 1.026000       3.641000      0.9485000     -0.2651000       1.397000
  1 1 1       8   24   25 o    3.805000      0.6392000       3.163000 1.017000       4.448000      0.7750000      -1.285000       1.278000
  1 1 1       8   24   26 o    3.268000      0.6760000       4.009000 0.9614000       2.527000      0.9506000       1.481000       1.352000
  1 1 1       8   24   27 o    4.562000      0.9119000       3.768000 1.368000       5.357000       1.206000      -1.589000       1.824000
  1 1 1       8   24   28 o    3.668000      0.9421000       3.513000 1.308000       3.823000       1.356000     -0.3108000       1.884000
  1 1 1       8   24   29 o    2.726000      0.8436000       2.266000 1.075000       3.185000       1.300000     -0.9191000       1.687000
  1 1 1       8   25    0 o    5.835000      0.2865000       5.723000 0.3464000       5.946000      0.4564000     -0.2230000      0.5730000
  1 1 1       8   25    1 o    5.006000      0.3312000       5.234000 0.3883000       4.779000      0.5368000      0.4543000      0.6625000
  1 1 1       8   25    2 o    7.551000      0.2489000       7.602000 0.3268000       7.500000      0.3757000      0.1017000      0.4979000
  1 1 1       8   25    3 f    4.365000      0.3612000       4.482000 0.4627000       4.247000      0.5547000      0.2354000      0.7224000
  1 1 1       8   25    4 o    5.316000      0.3237000       4.836000 0.4744000       5.796000      0.4405000     -0.9600000      0.6473000
  1 1 1       8   25    5 o    3.084000      0.5327000       3.515000 0.6638000       2.653000      0.8332000      0.8621000       1.065000
  1 1 1       8   25    6 o    9.700000      0.2914000       9.992000 0.4103000       9.407000      0.4140000      0.5850000      0.5829000
  1 1 1       8   25    7 o    5.108000      0.4453000       4.168000 0.7352000       6.049000      0.5026000      -1.882000      0.8905000
  1 1 1       8   25    8 o    8.484000      0.3173000       8.350000 0.4665000       8.617000      0.4301000     -0.2665000      0.6345000
  1 1 1       8   25    9 o    13.72000      0.4548000       14.47000 0.7644000       12.97000      0.4929000       1.500000      0.9095000
  1 1 1       8   25   10 o    8.018000      0.4527000       8.577000 0.6634000       7.459000      0.6162000       1.118000      0.9055000
  1 1 1       8   25   11 o    8.039000      0.4496000       8.323000 0.6440000       7.754000      0.6276000      0.5688000      0.8992000
  1 1 1       8   25   12 o    2.763000      0.6884000       3.737000 1.083000       1.788000      0.8497000       1.948000       1.377000
  1 1 1       8   25   13 o    2.907000      0.7884000       2.917000 1.085000       2.896000       1.144000      0.2140000E-01   1.577000
  1 1 1       8   25   14 o    5.735000      0.6722000       4.436000 1.086000       7.033000      0.7919000      -2.597000       1.344000
  1 1 1       8   25   15 o    3.333000      0.7112000       3.206000 0.9698000       3.460000       1.041000     -0.2543000       1.422000
  1 1 1       8   25   16 o    5.604000      0.4520000       5.421000 0.6609000       5.786000      0.6167000     -0.3648000      0.9039000
  1 1 1       8   25   17 o    4.907000      0.5421000       5.240000 0.7058000       4.573000      0.8230000      0.6672000       1.084000
  1 1 1       8   25   18 o    2.711000      0.6447000       2.170000 0.8953000       3.253000      0.9280000      -1.083000       1.289000
  1 1 1       8   25   19 o    2.063000      0.6216000       2.254000 0.9188000       1.872000      0.8376000      0.3821000       1.243000
  1 1 1       8   25   20 o    5.125000      0.4782000       5.228000 0.6948000       5.023000      0.6572000      0.2057000      0.9564000
  1 1 1       8   25   21 o    2.923000      0.6575000       2.607000 0.9758000       3.239000      0.8814000     -0.6327000       1.315000
  1 1 1       8   25   22 o    2.567000      0.6641000       2.367000 0.9611000       2.767000      0.9169000     -0.3999000       1.328000
  1 1 1       8   25   23 o    3.568000      0.8830000       3.054000 0.9835000       4.082000       1.467000      -1.028000       1.766000
  1 1 1       8   25   24 o    5.660000      0.8913000       6.000000 1.195000       5.320000       1.322000      0.6802000       1.783000
  1 1 1       8   25   25 o    4.263000       1.387000       4.263000 1.387000                  ?              ?              ?              ?
  1 1 1       8   25   26 o    2.362000      0.7404000       2.641000 1.192000       2.083000      0.8785000      0.5584000       1.481000
  1 1 1       8   25   27 o    3.376000      0.7181000       3.647000 1.042000       3.106000      0.9880000      0.5408000       1.436000
  1 1 1       8   25   28 o    2.764000      0.7017000       3.485000 1.080000       2.044000      0.8961000       1.441000       1.403000
  1 1 1       8   26    0 o    8.456000      0.2599000       8.296000 0.3272000       8.615000      0.4039000     -0.3186000      0.5198000
  1 1 1       8   26    1 o    13.16000      0.2610000       13.52000 0.3482000       12.80000      0.3890000      0.7186000      0.5220000
  1 1 1       8   26    2 o    5.851000      0.3062000       5.581000 0.4097000       6.120000      0.4551000     -0.5388000      0.6123000
  1 1 1       8   26    3 o    6.121000      0.2905000       6.228000 0.3903000       6.014000      0.4305000      0.2136000      0.5811000
  1 1 1       8   26    4 o    3.688000      0.4622000       3.637000 0.6140000       3.740000      0.6910000     -0.1023000      0.9244000
  1 1 1       8   26    5 o    3.004000      0.5261000       2.385000 0.8129000       3.623000      0.6680000      -1.237000       1.052000
  1 1 1       8   26    6 o    4.032000      0.5162000       3.867000 0.7918000       4.197000      0.6625000     -0.3301000       1.032000
  1 1 1       8   26    7 f    5.614000      0.4128000       5.776000 0.5770000       5.453000      0.5904000      0.3229000      0.8256000
  1 1 1       8   26    8 o    2.088000      0.6004000       2.208000 0.8873000       1.969000      0.8092000      0.2391000       1.201000
  1 1 1       8   26    9 o    8.516000      0.3743000       8.794000 0.5414000       8.238000      0.5170000      0.5558000      0.7486000
  1 1 1       8   26   10 o    6.560000      0.5157000       7.559000 0.7159000       5.561000      0.7424000       1.999000       1.031000
  1 1 1       8   26   11 o    2.202000      0.6906000       2.389000 1.040000       2.015000      0.9094000      0.3732000       1.381000
  1 1 1       8   26   12 o    1.979000      0.6503000       2.123000 0.9621000       1.834000      0.8751000      0.2889000       1.301000
  1 1 1       8   26   13 o    6.085000      0.5242000       6.003000 0.7226000       6.167000      0.7596000     -0.1633000       1.048000
  1 1 1       8   26   14 o    3.762000      0.8818000       2.962000 1.084000       4.561000       1.391000      -1.598000       1.764000
  1 1 1       8   26   15 o    4.412000      0.6514000       4.412000 0.8923000       4.413000      0.9493000     -0.1248000E-02   1.303000
  1 1 1       8   26   16 o    2.650000      0.6746000       1.915000 0.8704000       3.384000       1.031000      -1.468000       1.349000
  1 1 1       8   26   17 o    3.741000      0.6953000       4.215000 0.8993000       3.266000       1.061000      0.9490000       1.391000
  1 1 1       8   26   18 o    4.497000      0.6126000       3.878000 0.9748000       5.115000      0.7424000      -1.238000       1.225000
  1 1 1       8   26   19 f    4.137000       1.036000       3.956000 1.495000       4.319000       1.433000     -0.3638000       2.071000
  1 1 1       8   26   20 o    3.594000      0.9201000       4.445000 1.373000       2.743000       1.225000       1.701000       1.840000
  1 1 1       8   26   21 o    3.275000      0.9298000       3.645000 1.352000       2.905000       1.276000      0.7403000       1.860000
  1 1 1       8   26   22 o    2.366000      0.7473000       2.814000 1.235000       1.918000      0.8410000      0.8957000       1.495000
  1 1 1       8   26   23 o    3.568000      0.6701000       3.397000 1.025000       3.740000      0.8633000     -0.3432000       1.340000
  1 1 1       8   26   24 o    2.859000      0.7026000       3.516000 1.053000       2.202000      0.9309000       1.314000       1.405000
  1 1 1       8   26   25 f    3.181000      0.6806000       2.318000 0.9844000       4.044000      0.9401000      -1.727000       1.361000
  1 1 1       8   26   26 o    3.072000      0.7537000       2.473000 1.070000       3.671000       1.062000      -1.198000       1.507000
  1 1 1       8   26   27 o    4.006000      0.7801000       3.328000 1.226000       4.684000      0.9649000      -1.356000       1.560000
  1 1 1       8   27    0 o    11.53000      0.2657000       11.76000 0.3467000       11.29000      0.4027000      0.4765000      0.5314000
  1 1 1       8   27    1 o    9.835000      0.2671000       10.02000 0.3452000       9.652000      0.4078000      0.3657000      0.5343000
  1 1 1       8   27    2 o    3.037000      0.5143000       3.092000 0.6712000       2.982000      0.7795000      0.1097000       1.029000
  1 1 1       8   27    3 o    2.340000      0.5656000       2.525000 0.7823000       2.154000      0.8171000      0.3715000       1.131000
  1 1 1       8   27    4 o    2.038000      0.5442000       1.552000 0.6867000       2.523000      0.8445000     -0.9717000       1.088000
  1 1 1       8   27    5 o    7.905000      0.3027000       8.322000 0.4168000       7.489000      0.4389000      0.8328000      0.6053000
  1 1 1       8   27    6 o    5.984000      0.4223000       6.050000 0.5824000       5.917000      0.6118000      0.1324000      0.8447000
  1 1 1       8   27    7 o    2.755000      0.6472000       2.657000 0.9441000       2.853000      0.8854000     -0.1959000       1.294000
  1 1 1       8   27    8 o    1.681000      0.5399000       1.660000 0.7740000       1.701000      0.7528000     -0.4056000E-01   1.080000
  1 1 1       8   27    9 o    2.931000      0.6595000       2.442000 1.006000       3.420000      0.8535000     -0.9784000       1.319000
  1 1 1       8   27   10 o    5.252000      0.5946000       5.587000 0.9245000       4.917000      0.7480000      0.6699000       1.189000
  1 1 1       8   27   11 o    5.742000      0.6157000       5.621000 0.9385000       5.863000      0.7971000     -0.2417000       1.231000
  1 1 1       8   27   12 o    5.969000      0.5377000       5.918000 0.7968000       6.021000      0.7222000     -0.1033000       1.075000
  1 1 1       8   27   13 o    3.340000      0.9026000       3.174000 1.296000       3.506000       1.256000     -0.3321000       1.805000
  1 1 1       8   27   14 o    2.432000      0.7928000       2.262000 1.070000       2.602000       1.170000     -0.3399000       1.586000
  1 1 1       8   27   15 o    2.863000      0.8919000       2.634000 1.188000       3.092000       1.330000     -0.4587000       1.784000
  1 1 1       8   27   16 o    4.639000      0.9469000       3.305000 1.347000       5.974000       1.331000      -2.668000       1.894000
  1 1 1       8   27   17 o    2.989000      0.7513000       2.312000 1.104000       3.667000       1.019000      -1.355000       1.503000
  1 1 1       8   27   18 o    1.843000      0.5971000       2.062000 0.9062000       1.623000      0.7778000      0.4387000       1.194000
  1 1 1       8   27   19 o    3.621000      0.6795000       3.612000 0.9637000       3.630000      0.9583000     -0.1832000E-01   1.359000
  1 1 1       8   27   20 o    6.707000      0.4726000       6.672000 0.6997000       6.742000      0.6355000     -0.7051000E-01  0.9452000
  1 1 1       8   27   21 o    2.174000      0.6504000       2.399000 0.9790000       1.949000      0.8565000      0.4507000       1.301000
  1 1 1       8   27   22 o    3.499000      0.7704000       3.051000 1.151000       3.946000       1.025000     -0.8945000       1.541000
  1 1 1       8   27   23 o    2.624000      0.7112000       3.539000 1.168000       1.710000      0.8120000       1.829000       1.422000
  1 1 1       8   27   24 f    3.741000      0.7769000       3.485000 1.154000       3.996000       1.040000     -0.5108000       1.554000
  1 1 1       8   27   25 o    2.043000      0.6503000       2.005000 0.9224000       2.081000      0.9170000     -0.7641000E-01   1.301000
  1 1 1       8   27   26 o    2.020000      0.6458000       2.197000 0.9681000       1.844000      0.8549000      0.3523000       1.292000
  1 1 1       8   28    0 o    7.512000      0.3284000       7.644000 0.4204000       7.379000      0.5045000      0.2648000      0.6567000
  1 1 1       8   28    1 o    2.230000      0.5630000       2.601000 0.7981000       1.858000      0.7942000      0.7430000       1.126000
  1 1 1       8   28    2 o    4.692000      0.4638000       5.344000 0.5238000       4.041000      0.7656000       1.303000      0.9277000
  1 1 1       8   28    3 o    3.587000      0.5593000       3.794000 0.7174000       3.380000      0.8582000      0.4133000       1.119000
  1 1 1       8   28    4 o    4.315000      0.4632000       4.554000 0.6000000       4.076000      0.7059000      0.4786000      0.9265000
  1 1 1       8   28    5 o    5.112000      0.4906000       5.514000 0.6514000       4.711000      0.7339000      0.8036000      0.9813000
  1 1 1       8   28    6 o    1.789000      0.5836000       1.670000 0.7905000       1.907000      0.8589000     -0.2371000       1.167000
  1 1 1       8   28    7 o    4.071000      0.6610000       3.558000 1.057000       4.584000      0.7945000      -1.026000       1.322000
  1 1 1       8   28    8 o    3.040000      0.7023000       3.350000 0.9970000       2.730000      0.9895000      0.6203000       1.405000
  1 1 1       8   28    9 o    6.051000      0.5069000       6.861000 0.7008000       5.242000      0.7325000       1.619000       1.014000
  1 1 1       8   28   10 o    2.787000      0.7696000       3.142000 1.209000       2.432000      0.9525000      0.7091000       1.539000
  1 1 1       8   28   11 o    6.170000      0.5270000       5.558000 0.8229000       6.781000      0.6587000      -1.223000       1.054000
  1 1 1       8   28   12 o    2.072000      0.6550000       2.047000 0.9191000       2.098000      0.9335000     -0.5183000E-01   1.310000
  1 1 1       8   28   13 o    3.243000       1.071000       3.243000 1.071000                  ?              ?              ?              ?
  1 1 1       8   28   14 o    3.313000      0.7796000       3.187000 1.044000       3.439000       1.158000     -0.2521000       1.559000
  1 1 1       8   28   15 o    4.294000      0.9866000                  ?       ?   4.294000      0.9866000                  ?              ?
  1 1 1       8   28   16 o    1.989000      0.8983000       1.989000 0.8983000                  ?              ?              ?              ?
  1 1 1       8   28   17 o    2.743000      0.7761000       2.885000 1.108000       2.602000       1.087000      0.2834000       1.552000
  1 1 1       8   28   18 o    2.298000      0.7108000       2.520000 1.060000       2.076000      0.9472000      0.4442000       1.422000
  1 1 1       8   28   19 o    4.776000      0.6683000       4.305000 1.064000       5.247000      0.8087000     -0.9425000       1.337000
  1 1 1       8   28   20 o    3.511000      0.7428000       2.882000 1.128000       4.140000      0.9672000      -1.258000       1.486000
  1 1 1       8   28   21 o    5.376000      0.6255000       4.765000 0.9568000       5.987000      0.8058000      -1.221000       1.251000
  1 1 1       8   28   22 o    3.954000      0.7132000       4.311000 1.015000       3.598000       1.003000      0.7127000       1.426000
  1 1 1       8   28   23 o    3.944000      0.6958000       3.371000 1.086000       4.517000      0.8702000      -1.146000       1.392000
  1 1 1       8   28   24 o    4.814000      0.6459000       4.129000 1.048000       5.498000      0.7555000      -1.369000       1.292000
  1 1 1       8   28   25 o    3.141000      0.9368000       2.488000 1.108000       3.793000       1.511000      -1.305000       1.874000
  1 1 1       8   29    0 o    4.181000      0.4690000       4.372000 0.5460000       3.990000      0.7626000      0.3825000      0.9379000
  1 1 1       8   29    1 o    3.187000      0.5686000       2.358000 0.8410000       4.017000      0.7655000      -1.659000       1.137000
  1 1 1       8   29    2 o    1.534000      0.5038000       1.564000 0.7130000       1.504000      0.7120000      0.5928000E-01   1.008000
  1 1 1       8   29    3 o    1.839000      0.5015000       2.491000 0.8125000       1.188000      0.5880000       1.303000       1.003000
  1 1 1       8   29    4 o    1.895000      0.5516000       2.311000 0.8512000       1.480000      0.7016000      0.8301000       1.103000
  1 1 1       8   29    5 o    4.298000      0.5746000       4.989000 0.6776000       3.607000      0.9283000       1.381000       1.149000
  1 1 1       8   29    6 o    2.589000      0.6615000       3.448000 1.043000       1.730000      0.8140000       1.718000       1.323000
  1 1 1       8   29    7 o    2.635000      0.6608000       3.216000 0.9782000       2.054000      0.8886000       1.162000       1.322000
  1 1 1       8   29    8 f    3.124000      0.6026000       3.751000 0.7947000       2.497000      0.9061000       1.254000       1.205000
  1 1 1       8   29    9 o    2.842000      0.8950000       3.098000 1.353000       2.586000       1.172000      0.5115000       1.790000
  1 1 1       8   29   10 o    4.710000       1.024000       5.786000 1.437000       3.633000       1.458000       2.153000       2.048000
  1 1 1       8   29   11 o    5.516000      0.8420000       5.809000 1.090000       5.223000       1.283000      0.5860000       1.684000
  1 1 1       8   29   12 o    3.377000      0.8979000       3.703000 1.250000       3.051000       1.289000      0.6513000       1.796000
  1 1 1       8   29   13 o    3.027000       1.154000       3.027000 1.154000                  ?              ?              ?              ?
  1 1 1       8   29   14 o    4.076000      0.8454000       4.937000 1.117000       3.214000       1.269000       1.723000       1.691000
  1 1 1       8   29   15 o    3.847000       1.209000                  ?       ?   3.847000       1.209000                  ?              ?
  1 1 1       8   29   16 o    1.972000      0.6427000       2.103000 0.9412000       1.842000      0.8753000      0.2607000       1.285000
  1 1 1       8   29   17 o    2.540000      0.7059000       2.109000 0.9364000       2.971000       1.056000     -0.8624000       1.412000
  1 1 1       8   29   18 o    3.543000      0.7345000       2.636000 1.069000       4.450000       1.008000      -1.814000       1.469000
  1 1 1       8   29   19 o    2.564000      0.7003000       3.303000 1.113000       1.825000      0.8498000       1.478000       1.401000
  1 1 1       8   29   20 o    4.227000      0.7252000       4.306000 1.043000       4.147000       1.008000      0.1588000       1.450000
  1 1 1       8   29   21 o    3.872000      0.8056000       3.773000 1.245000       3.971000       1.023000     -0.1979000       1.611000
  1 1 1       8   29   22 o    2.539000      0.6663000       1.601000 0.7856000       3.476000       1.076000      -1.875000       1.333000
  1 1 1       8   29   23 o    2.358000      0.7094000       2.451000 1.031000       2.265000      0.9747000      0.1867000       1.419000
  1 1 1       8   30    0 o    2.780000      0.7440000       2.689000 0.8603000       2.872000       1.214000     -0.1833000       1.488000
  1 1 1       8   30    1 o    5.472000      0.4064000       5.404000 0.5596000       5.539000      0.5895000     -0.1347000      0.8128000
  1 1 1       8   30    2 o    4.741000      0.4063000       5.115000 0.5454000       4.366000      0.6023000      0.7495000      0.8126000
  1 1 1       8   30    3 o    3.584000      0.5354000       4.176000 0.6731000       2.993000      0.8329000       1.183000       1.071000
  1 1 1       8   30    4 o    2.163000      0.6131000       1.809000 0.8059000       2.517000      0.9243000     -0.7080000       1.226000
  1 1 1       8   30    5 o    2.163000      0.6422000       2.170000 0.9054000       2.155000      0.9110000      0.1437000E-01   1.284000
  1 1 1       8   30    6 f    4.023000      0.6552000       4.775000 0.8528000       3.270000      0.9949000       1.504000       1.310000
  1 1 1       8   30    7 o    3.276000      0.7163000       3.064000 1.040000       3.488000      0.9849000     -0.4241000       1.433000
  1 1 1       8   30    8 o    3.034000      0.6781000       2.372000 0.9653000       3.697000      0.9527000      -1.326000       1.356000
  1 1 1       8   30    9 o    7.367000      0.3955000       7.717000 0.5328000       7.017000      0.5846000      0.7002000      0.7910000
  1 1 1       8   30   10 o    7.384000      0.6262000       7.431000 0.5953000       7.337000       1.102000      0.9415000E-01   1.252000
  1 1 1       8   30   11 o    3.731000      0.6819000       2.472000 0.9957000       4.990000      0.9321000      -2.518000       1.364000
  1 1 1       8   30   12 o    2.194000      0.6778000       1.857000 0.8519000       2.532000       1.054000     -0.6756000       1.356000
  1 1 1       8   30   13 o    3.006000      0.7990000       3.346000 1.077000       2.667000       1.181000      0.6797000       1.598000
  1 1 1       8   30   14 o    1.913000      0.6324000       1.894000 0.8824000       1.931000      0.9061000     -0.3713000E-01   1.265000
  1 1 1       8   30   15 o    4.900000      0.6758000       5.519000 0.9360000       4.281000      0.9750000       1.238000       1.352000
  1 1 1       8   30   16 o    3.554000      0.7967000       3.895000 1.137000       3.214000       1.117000      0.6809000       1.593000
  1 1 1       8   30   17 o    4.482000      0.7204000       3.665000 1.121000       5.299000      0.9057000      -1.634000       1.441000
  1 1 1       8   30   18 f    3.993000      0.7772000       3.338000 1.125000       4.647000       1.073000      -1.309000       1.554000
  1 1 1       8   30   19 o    3.096000      0.7876000       3.378000 1.154000       2.814000       1.073000      0.5638000       1.575000
  1 1 1       8   30   20 o    2.304000      0.7096000       2.171000 0.9933000       2.438000       1.014000     -0.2667000       1.419000
  1 1 1       8   30   21 f    2.360000      0.7225000       2.472000 1.053000       2.248000      0.9892000      0.2236000       1.445000
  1 1 1       8   30   22 o    2.904000      0.8163000       2.576000 1.131000       3.232000       1.177000     -0.6558000       1.633000
  1 1 1       8   31    0 o    2.338000      0.5828000       2.941000 0.8531000       1.735000      0.7941000       1.206000       1.166000
  1 1 1       8   31    1 o    2.668000      0.6374000       2.815000 0.8702000       2.521000      0.9317000      0.2937000       1.275000
  1 1 1       8   31    2 o    1.998000      0.5917000       2.119000 0.8446000       1.877000      0.8289000      0.2418000       1.183000
  1 1 1       8   31    3 o    1.848000      0.5831000       2.069000 0.8751000       1.626000      0.7709000      0.4433000       1.166000
  1 1 1       8   31    4 o    5.971000      0.4367000       6.523000 0.5460000       5.420000      0.6818000       1.103000      0.8735000
  1 1 1       8   31    5 o    12.60000      0.3631000       12.35000 0.5110000       12.84000      0.5159000     -0.4841000      0.7262000
  1 1 1       8   31    6 o    6.950000      0.4092000       7.044000 0.5834000       6.857000      0.5740000      0.1870000      0.8184000
  1 1 1       8   31    7 o    3.581000      0.6896000       3.391000 1.004000       3.772000      0.9456000     -0.3806000       1.379000
  1 1 1       8   31    8 o    2.592000      0.6778000       3.175000 1.018000       2.008000      0.8956000       1.167000       1.356000
  1 1 1       8   31    9 o    3.414000      0.7264000       3.214000 1.006000       3.615000       1.048000     -0.4015000       1.453000
  1 1 1       8   31   10 o    4.234000      0.7794000       3.740000 1.027000       4.728000       1.172000     -0.9876000       1.559000
  1 1 1       8   31   11 o    2.502000      0.7026000       1.797000 0.8420000       3.206000       1.125000      -1.408000       1.405000
  1 1 1       8   31   12 o    3.034000      0.7517000       2.143000 0.9530000       3.925000       1.163000      -1.782000       1.503000
  1 1 1       8   31   13 o    2.645000      0.7586000       2.863000 1.085000       2.428000       1.061000      0.4358000       1.517000
  1 1 1       8   31   14 o    5.016000      0.6159000       5.345000 0.8039000       4.688000      0.9333000      0.6574000       1.232000
  1 1 1       8   31   15 o    6.193000      0.5206000       5.582000 0.7915000       6.803000      0.6764000      -1.221000       1.041000
  1 1 1       8   31   16 o    5.668000      0.7183000       4.596000 1.102000       6.740000      0.9218000      -2.144000       1.437000
  1 1 1       8   31   17 o    3.016000      0.8090000       2.832000 1.131000       3.201000       1.158000     -0.3688000       1.618000
  1 1 1       8   31   18 o    4.172000      0.7650000       4.633000 1.048000       3.710000       1.114000      0.9230000       1.530000
  1 1 1       8   31   19 o    3.368000      0.8174000       3.398000 1.161000       3.339000       1.151000      0.5949000E-01   1.635000
  1 1 1       8   31   20 o    2.580000      0.7398000       3.157000 1.158000       2.003000      0.9213000       1.154000       1.480000
  1 1 1       8   32    0 o    3.676000      0.6631000       4.532000 0.7696000       2.819000       1.080000       1.713000       1.326000
  1 1 1       8   32    1 o    2.096000      0.6470000       1.874000 0.8527000       2.318000      0.9734000     -0.4444000       1.294000
  1 1 1       8   32    2 o    3.775000      0.6603000       4.369000 0.8256000       3.181000       1.031000       1.188000       1.321000
  1 1 1       8   32    3 o    3.530000      0.7080000       3.862000 0.9564000       3.199000       1.044000      0.6625000       1.416000
  1 1 1       8   32    4 o    6.937000      0.4447000       7.193000 0.6162000       6.681000      0.6415000      0.5123000      0.8895000
  1 1 1       8   32    5 o    5.462000      0.5634000       5.967000 0.6934000       4.957000      0.8883000       1.010000       1.127000
  1 1 1       8   32    6 o    2.323000      0.6746000       2.687000 1.011000       1.958000      0.8939000      0.7290000       1.349000
  1 1 1       8   32    7 o    3.136000      0.6984000       3.971000 1.003000       2.301000      0.9725000       1.670000       1.397000
  1 1 1       8   32    8 o    2.188000      0.6696000       2.018000 0.9074000       2.358000      0.9849000     -0.3402000       1.339000
  1 1 1       8   32    9 o    3.004000      0.7253000       3.509000 1.013000       2.499000       1.038000       1.010000       1.451000
  1 1 1       8   32   10 o    2.594000      0.7521000       2.397000 1.023000       2.791000       1.103000     -0.3940000       1.504000
  1 1 1       8   32   11 o    2.972000      0.7862000       2.559000 1.053000       3.385000       1.168000     -0.8255000       1.572000
  1 1 1       8   32   12 o    2.996000      0.7896000       2.758000 1.069000       3.233000       1.162000     -0.4743000       1.579000
  1 1 1       8   32   13 f    2.431000      0.7309000       2.215000 0.9763000       2.646000       1.088000     -0.4312000       1.462000
  1 1 1       8   32   14 o    4.428000      0.7250000       4.240000 1.088000       4.617000      0.9579000     -0.3774000       1.450000
  1 1 1       8   32   15 o    2.468000      0.7233000       2.269000 0.9736000       2.668000       1.070000     -0.3987000       1.447000
  1 1 1       8   32   16 o    3.037000      0.7961000       3.093000 1.130000       2.980000       1.122000      0.1136000       1.592000
  1 1 1       8   32   17 o    3.374000      0.8229000       3.155000 1.183000       3.594000       1.144000     -0.4387000       1.646000
  1 1 1       8   32   18 o    3.766000      0.7881000       4.569000 1.108000       2.963000       1.121000       1.606000       1.576000
  1 1 1       8   33    0 o    4.384000      0.7165000       4.466000 0.9343000       4.302000       1.087000      0.1645000       1.433000
  1 1 1       8   33    1 o    3.821000      0.7607000       3.478000 1.047000       4.165000       1.104000     -0.6867000       1.521000
  1 1 1       8   33    2 o    3.462000      0.7275000       4.022000 0.9406000       2.902000       1.110000       1.119000       1.455000
  1 1 1       8   33    3 o    2.265000      0.6996000       2.118000 0.9404000       2.411000       1.036000     -0.2929000       1.399000
  1 1 1       8   33    4 o    2.383000      0.7015000       2.852000 1.076000       1.913000      0.9001000      0.9386000       1.403000
  1 1 1       8   33    5 o    1.965000      0.6417000       1.792000 0.8445000       2.137000      0.9663000     -0.3449000       1.283000
  1 1 1       8   33    6 o    6.279000      0.5226000       6.961000 0.6608000       5.598000      0.8097000       1.364000       1.045000
  1 1 1       8   33    7 o    4.123000      0.7402000       4.430000 0.9659000       3.817000       1.122000      0.6133000       1.480000
  1 1 1       8   33    8 o    3.716000      0.7010000       2.381000 1.026000       5.051000      0.9548000      -2.670000       1.402000
  1 1 1       8   33    9 o    3.283000      0.7516000       2.078000 0.9507000       4.488000       1.164000      -2.410000       1.503000
  1 1 1       8   33   10 o    3.146000      0.7639000       3.617000 1.091000       2.676000       1.069000      0.9408000       1.528000
  1 1 1       8   33   11 o    3.927000      0.7454000       3.977000 1.033000       3.878000       1.075000      0.9891000E-01   1.491000
  1 1 1       8   33   12 o    2.788000      0.7739000       3.012000 1.107000       2.563000       1.082000      0.4492000       1.548000
  1 1 1       8   33   13 o    4.180000      0.7852000       3.561000 1.140000       4.798000       1.080000      -1.237000       1.570000
  1 1 1       8   33   14 o    2.887000       1.101000       2.887000 1.101000                  ?              ?              ?              ?
  1 1 1       8   33   15 o    3.726000      0.7647000       2.928000 1.112000       4.525000       1.051000      -1.597000       1.529000
  1 1 1       8   33   16 o    3.711000      0.9268000       4.306000 1.475000       3.116000       1.123000       1.190000       1.854000
  1 1 1       8   34    0 o    4.838000      0.7252000       4.739000 0.9444000       4.937000       1.101000     -0.1975000       1.450000
  1 1 1       8   34    1 o    5.044000      0.6938000       6.269000 0.7079000       3.818000       1.193000       2.451000       1.388000
  1 1 1       8   34    2 o    4.310000      0.7595000       4.724000 0.9890000       3.896000       1.153000      0.8278000       1.519000
  1 1 1       8   34    3 o    3.285000      0.7823000       2.688000 1.066000       3.882000       1.145000      -1.194000       1.565000
  1 1 1       8   34    4 o    3.761000      0.8047000       2.944000 1.158000       4.578000       1.117000      -1.634000       1.609000
  1 1 1       8   34    5 o    2.143000      0.6797000       2.024000 0.9143000       2.262000       1.006000     -0.2381000       1.359000
  1 1 1       8   34    6 o    2.627000      0.7281000       3.176000 1.086000       2.078000      0.9703000       1.098000       1.456000
  1 1 1       8   34    7 o    2.831000      0.7757000       3.257000 1.137000       2.405000       1.055000      0.8513000       1.551000
  1 1 1       8   34    8 o    4.285000      0.7618000       3.714000 1.094000       4.856000       1.060000      -1.142000       1.524000
  1 1 1       8   34    9 o    4.325000      0.7427000       4.507000 0.9891000       4.143000       1.108000      0.3639000       1.485000
  1 1 1       8   34   10 o    4.660000      0.6957000       4.263000 1.003000       5.058000      0.9643000     -0.7955000       1.391000
  1 1 1       8   34   11 o    2.668000      0.7743000       2.769000 1.094000       2.568000       1.096000      0.2005000       1.549000
  1 1 1       8   34   12 f    2.807000      0.7806000       2.804000 1.079000       2.809000       1.129000     -0.5488000E-02   1.561000
  1 1 1       8   34   13 o    2.836000      0.7991000       2.818000 1.107000       2.855000       1.153000     -0.3613000E-01   1.598000
  1 1 1       8   35    0 o    3.053000      0.8110000       3.100000 1.098000       3.006000       1.194000      0.9465000E-01   1.622000
  1 1 1       8   35    1 o    4.643000      0.7417000       4.038000 1.064000       5.248000       1.034000      -1.211000       1.483000
  1 1 1       8   35    2 o    3.303000      0.8298000       3.018000 1.114000       3.587000       1.230000     -0.5685000       1.660000
  1 1 1       8   35    3 o    3.460000      0.7938000       4.022000 1.072000       2.898000       1.171000       1.124000       1.588000
  1 1 1       8   35    4 o    2.539000      0.7373000       2.535000 1.012000       2.543000       1.072000     -0.8006000E-02   1.475000
  1 1 1       8   35    5 o    4.396000      0.7355000       3.938000 1.049000       4.853000       1.031000     -0.9145000       1.471000
  1 1 1       8   35    6 o    4.467000      0.7680000       5.037000 0.9676000       3.896000       1.193000       1.142000       1.536000
  1 1 1       8   35    7 o    2.663000      0.7487000       3.103000 1.099000       2.223000       1.017000      0.8795000       1.497000
  1 1 1       8   35    8 o    3.783000      0.7885000       3.948000 1.034000       3.618000       1.190000      0.3303000       1.577000
  1 1 1       8   35    9 o    3.772000      0.7868000       3.531000 1.043000       4.013000       1.178000     -0.4823000       1.574000
  1 1 1       8   35   10 o    2.612000      0.7486000       2.199000 0.9719000       3.025000       1.139000     -0.8259000       1.497000
  1 1 1       8   36    0 o    3.028000      0.7980000       2.224000 0.9769000       3.832000       1.262000      -1.607000       1.596000
  1 1 1       8   36    1 o    2.683000      0.7788000       2.246000 0.9902000       3.120000       1.202000     -0.8746000       1.558000
  1 1 1       8   36    2 f    2.372000      0.7365000       2.416000 1.023000       2.327000       1.060000      0.8917000E-01   1.473000
  1 1 1       8   36    3 o    3.955000      0.8609000       3.655000 1.158000       4.254000       1.274000     -0.5987000       1.722000
  1 1 1       8   36    4 o    4.271000      0.8245000       3.876000 1.045000       4.667000       1.275000     -0.7912000       1.649000
  1 1 1       8   36    5 o    3.510000      0.8204000       2.432000 0.9836000       4.587000       1.313000      -2.155000       1.641000
  1 1 1       9  -28    0 o    5.201000      0.6726000       5.288000 0.9243000       5.115000      0.9773000      0.1731000       1.345000
  1 1 1       9  -28    1 f    2.949000      0.6780000       1.644000 0.7890000       4.254000       1.103000      -2.610000       1.356000
  1 1 1       9  -28    2 o    4.694000      0.8486000       5.137000 1.115000       4.250000       1.279000      0.8870000       1.697000
  1 1 1       9  -28    3 o    2.764000      0.7618000       2.606000 1.054000       2.922000       1.100000     -0.3153000       1.524000
  1 1 1       9  -28    4 o    2.914000      0.7854000       2.513000 1.040000       3.316000       1.177000     -0.8025000       1.571000
  1 1 1       9  -28    5 o    2.812000      0.7861000       2.462000 1.055000       3.161000       1.165000     -0.6995000       1.572000
  1 1 1       9  -28    6 o    3.867000      0.7827000       3.620000 1.160000       4.113000       1.051000     -0.4924000       1.565000
  1 1 1       9  -28    7 o    2.478000       1.152000                  ?       ?   2.478000       1.152000                  ?              ?
  1 1 1       9  -27    0 o    6.663000      0.6005000       6.727000 0.7047000       6.598000      0.9726000      0.1294000       1.201000
  1 1 1       9  -27    1 o    2.877000      0.7871000       3.107000 1.131000       2.647000       1.095000      0.4598000       1.574000
  1 1 1       9  -27    2 o    2.596000      0.7406000       2.009000 0.9243000       3.183000       1.157000      -1.174000       1.481000
  1 1 1       9  -27    3 o    1.740000      0.5918000       1.778000 0.8523000       1.701000      0.8213000      0.7648000E-01   1.184000
  1 1 1       9  -27    4 o    3.447000      0.7846000       4.067000 1.084000       2.827000       1.135000       1.240000       1.569000
  1 1 1       9  -27    5 f    3.446000      0.8062000       3.899000 1.135000       2.993000       1.145000      0.9057000       1.612000
  1 1 1       9  -27    6 o    3.459000      0.7534000       2.730000 1.103000       4.188000       1.027000      -1.458000       1.507000
  1 1 1       9  -27    7 o    2.643000      0.7780000       2.683000 1.106000       2.604000       1.094000      0.7850000E-01   1.556000
  1 1 1       9  -27    8 o    2.867000      0.7381000       3.463000 1.097000       2.270000      0.9874000       1.193000       1.476000
  1 1 1       9  -27    9 o    3.401000      0.7524000       3.276000 1.066000       3.527000       1.063000     -0.2518000       1.505000
  1 1 1       9  -27   10 o    2.553000      0.7041000       3.122000 1.076000       1.985000      0.9089000       1.137000       1.408000
  1 1 1       9  -27   11 o    2.355000      0.7115000       2.417000 1.030000       2.294000      0.9818000      0.1223000       1.423000
  1 1 1       9  -26    0 o    4.135000       1.039000       4.135000 1.039000                  ?              ?              ?              ?
  1 1 1       9  -26    1 o    4.760000      0.6278000       4.876000 0.8594000       4.644000      0.9155000      0.2318000       1.256000
  1 1 1       9  -26    2 o    3.294000      0.6798000       4.224000 0.9140000       2.363000       1.007000       1.862000       1.360000
  1 1 1       9  -26    3 o    4.778000      0.7124000       3.774000 1.064000       5.782000      0.9477000      -2.008000       1.425000
  1 1 1       9  -26    4 o    4.862000      0.6857000       5.279000 0.8377000       4.446000       1.086000      0.8324000       1.371000
  1 1 1       9  -26    5 o    2.028000      0.6517000       1.508000 0.7483000       2.548000       1.067000      -1.040000       1.303000
  1 1 1       9  -26    6 o    3.329000      0.7790000       3.226000 1.122000       3.433000       1.081000     -0.2077000       1.558000
  1 1 1       9  -26    7 o    4.263000      0.7703000       4.422000 1.087000       4.103000       1.092000      0.3189000       1.541000
  1 1 1       9  -26    8 o    3.420000      0.7653000       2.729000 1.080000       4.112000       1.084000      -1.383000       1.531000
  1 1 1       9  -26    9 o    2.608000      0.7104000       2.004000 0.9179000       3.213000       1.084000      -1.209000       1.421000
  1 1 1       9  -26   10 o    2.689000      0.6941000       3.467000 1.075000       1.911000      0.8779000       1.556000       1.388000
  1 1 1       9  -26   11 o    3.394000      0.7674000       3.592000 1.092000       3.196000       1.079000      0.3957000       1.535000
  1 1 1       9  -26   12 o    2.506000      0.6589000       1.700000 0.8226000       3.312000       1.029000      -1.612000       1.318000
  1 1 1       9  -26   13 o    2.304000      0.6801000       2.041000 0.9296000       2.567000      0.9929000     -0.5265000       1.360000
  1 1 1       9  -26   14 o    2.146000      0.6574000       1.960000 0.9048000       2.332000      0.9540000     -0.3726000       1.315000
  1 1 1       9  -25    0 o    5.458000      0.6954000       5.458000 0.6954000                  ?              ?              ?              ?
  1 1 1       9  -25    1 o    9.380000      0.3927000       8.697000 0.5373000       10.06000      0.5727000      -1.367000      0.7853000
  1 1 1       9  -25    2 o    6.707000      0.7043000                  ?       ?   6.707000      0.7043000                  ?              ?
  1 1 1       9  -25    3 o    3.083000      0.7349000       2.522000 0.9987000       3.645000       1.078000      -1.124000       1.470000
  1 1 1       9  -25    4 o    3.447000      0.7501000       3.162000 1.042000       3.732000       1.079000     -0.5702000       1.500000
  1 1 1       9  -25    5 o    2.641000      0.7173000       2.693000 1.023000       2.589000       1.005000      0.1034000       1.435000
  1 1 1       9  -25    6 o    1.877000      0.6160000       1.991000 0.9048000       1.763000      0.8363000      0.2276000       1.232000
  1 1 1       9  -25    7 o    4.144000      0.7485000       3.045000 1.080000       5.243000       1.036000      -2.198000       1.497000
  1 1 1       9  -25    8 o    2.581000      0.7842000       2.406000 1.052000       2.756000       1.163000     -0.3497000       1.568000
  1 1 1       9  -25    9 o    2.963000      0.8216000       3.423000 1.215000       2.504000       1.106000      0.9189000       1.643000
  1 1 1       9  -25   10 o    3.874000      0.8719000       3.857000 1.244000       3.891000       1.222000     -0.3379000E-01   1.744000
  1 1 1       9  -25   12 o    3.286000      0.7797000       3.684000 0.9722000       2.887000       1.219000      0.7975000       1.559000
  1 1 1       9  -25   13 o    2.066000      0.6463000       1.895000 0.8859000       2.237000      0.9413000     -0.3417000       1.293000
  1 1 1       9  -25   14 f    2.046000      0.6387000       2.369000 1.002000       1.723000      0.7917000      0.6462000       1.277000
  1 1 1       9  -25   15 o    1.550000      0.5321000       1.578000 0.7706000       1.522000      0.7340000      0.5620000E-01   1.064000
  1 1 1       9  -25   16 o    2.568000      0.7115000       2.957000 1.091000       2.180000      0.9136000      0.7766000       1.423000
  1 1 1       9  -24    0 f    6.489000      0.4476000       6.449000 0.5814000       6.529000      0.6808000     -0.8007000E-01  0.8952000
  1 1 1       9  -24    1 o    3.910000      0.6856000       4.517000 0.8894000       3.303000       1.044000       1.214000       1.371000
  1 1 1       9  -24    2 o    3.787000      0.7198000       3.080000 1.015000       4.494000       1.021000      -1.415000       1.440000
  1 1 1       9  -24    3 o    3.276000      0.7284000       2.558000 0.9996000       3.993000       1.060000      -1.436000       1.457000
  1 1 1       9  -24    4 o    2.499000      0.6923000       2.600000 0.9824000       2.397000      0.9757000      0.2023000       1.385000
  1 1 1       9  -24    5 f    2.431000      0.6441000       1.917000 0.8575000       2.945000      0.9613000      -1.029000       1.288000
  1 1 1       9  -24    6 o    2.630000      0.7186000       2.893000 1.047000       2.368000      0.9850000      0.5254000       1.437000
  1 1 1       9  -24    7 o    4.860000      0.6224000       4.667000 0.9021000       5.052000      0.8578000     -0.3851000       1.245000
  1 1 1       9  -24    8 o    4.227000      0.7348000       4.308000 1.019000       4.146000       1.059000      0.1614000       1.470000
  1 1 1       9  -24    9 o    1.744000      0.5821000       1.496000 0.7358000       1.991000      0.9023000     -0.4941000       1.164000
  1 1 1       9  -24   10 o    1.749000      0.5792000       1.658000 0.7953000       1.840000      0.8422000     -0.1815000       1.158000
  1 1 1       9  -24   11 o    4.861000      0.8227000       4.708000 1.193000       5.013000       1.134000     -0.3050000       1.645000
  1 1 1       9  -24   12 f    3.152000      0.8063000       3.078000 1.179000       3.225000       1.100000     -0.1463000       1.613000
  1 1 1       9  -24   13 o    4.019000      0.7645000       3.509000 1.177000       4.529000      0.9753000      -1.020000       1.529000
  1 1 1       9  -24   14 o    3.792000      0.7932000       4.129000 1.190000       3.454000       1.049000      0.6748000       1.586000
  1 1 1       9  -24   15 o    3.117000      0.7647000       3.949000 1.185000       2.286000      0.9671000       1.663000       1.529000
  1 1 1       9  -24   16 o    2.997000      0.7682000       3.037000 1.132000       2.956000       1.039000      0.8156000E-01   1.536000
  1 1 1       9  -24   17 o    2.501000      0.7258000       2.524000 1.062000       2.478000      0.9898000      0.4628000E-01   1.452000
  1 1 1       9  -24   18 o    2.184000      0.6879000       2.427000 1.059000       1.940000      0.8784000      0.4870000       1.376000
  1 1 1       9  -23    0 o    8.435000      0.3557000       7.940000 0.4584000       8.929000      0.5441000     -0.9886000      0.7115000
  1 1 1       9  -23    1 o    2.439000      0.6334000       2.886000 0.9103000       1.991000      0.8811000      0.8952000       1.267000
  1 1 1       9  -23    2 o    3.290000      0.6365000       3.718000 0.8455000       2.861000      0.9516000      0.8572000       1.273000
  1 1 1       9  -23    3 o    3.652000      0.6221000       3.920000 0.8460000       3.385000      0.9124000      0.5346000       1.244000
  1 1 1       9  -23    4 o    3.777000      0.9935000       3.090000 1.371000       4.465000       1.438000      -1.375000       1.987000
  1 1 1       9  -23    5 o    4.841000      0.9973000       5.243000 1.399000       4.439000       1.422000      0.8036000       1.995000
  1 1 1       9  -23    6 f    4.215000       1.012000       4.426000 1.490000       4.004000       1.370000      0.4220000       2.024000
  1 1 1       9  -23    7 o    4.042000       1.038000       3.813000 1.473000       4.271000       1.463000     -0.4576000       2.076000
  1 1 1       9  -23    8 o    2.554000      0.8308000       2.876000 1.277000       2.232000       1.063000      0.6444000       1.662000
  1 1 1       9  -23    9 o    3.031000      0.6946000       3.724000 1.008000       2.338000      0.9565000       1.385000       1.389000
  1 1 1       9  -23   10 o    3.616000      0.6986000       3.087000 1.052000       4.145000      0.9193000      -1.058000       1.397000
  1 1 1       9  -23   11 o    4.003000      0.7083000       4.528000 0.9991000       3.477000       1.004000       1.051000       1.417000
  1 1 1       9  -23   12 o    3.816000      0.6786000       4.909000 0.8893000       2.723000       1.025000       2.186000       1.357000
  1 1 1       9  -23   13 o    1.971000      0.6140000       2.324000 0.9550000       1.617000      0.7718000      0.7067000       1.228000
  1 1 1       9  -23   14 o    3.593000      0.6765000       3.743000 0.9513000       3.444000      0.9621000      0.2997000       1.353000
  1 1 1       9  -23   15 o    4.818000      0.5568000       4.935000 0.8375000       4.700000      0.7340000      0.2348000       1.114000
  1 1 1       9  -23   16 o    4.621000      0.5825000       5.163000 0.7980000       4.079000      0.8488000       1.084000       1.165000
  1 1 1       9  -23   17 o    2.157000      0.6426000       2.479000 0.9882000       1.835000      0.8216000      0.6449000       1.285000
  1 1 1       9  -23   18 o    2.673000      0.6887000       2.413000 0.9956000       2.933000      0.9519000     -0.5198000       1.377000
  1 1 1       9  -23   19 o    3.008000      0.6989000       2.752000 1.057000       3.264000      0.9145000     -0.5124000       1.398000
  1 1 1       9  -23   20 o    2.629000      0.6861000       2.142000 0.9587000       3.116000      0.9818000     -0.9739000       1.372000
  1 1 1       9  -22    0 o    3.771000      0.9560000       4.992000 1.501000       2.550000       1.185000       2.441000       1.912000
  1 1 1       9  -22    1 o    4.031000       1.660000       4.031000 1.660000                  ?              ?              ?              ?
  1 1 1       9  -22    2 o    3.575000       1.038000       3.470000 1.516000       3.680000       1.419000     -0.2106000       2.076000
  1 1 1       9  -22    3 o    3.365000      0.9606000                  ?       ?   3.365000      0.9606000                  ?              ?
  1 1 1       9  -22    4 o    4.739000      0.5170000       4.269000 0.7981000       5.209000      0.6573000     -0.9403000       1.034000
  1 1 1       9  -22    5 o    5.293000      0.5345000       4.584000 0.8136000       6.002000      0.6935000      -1.418000       1.069000
  1 1 1       9  -22    6 o    8.888000      0.3775000       8.558000 0.5085000       9.218000      0.5581000     -0.6599000      0.7550000
  1 1 1       9  -22    7 o    2.644000      0.7056000       2.360000 0.9712000       2.928000       1.024000     -0.5679000       1.411000
  1 1 1       9  -22    8 o    2.704000      0.6834000       2.015000 0.9014000       3.392000       1.028000      -1.377000       1.367000
  1 1 1       9  -22    9 f    5.479000      0.5324000       4.959000 0.8698000       6.000000      0.6142000      -1.041000       1.065000
  1 1 1       9  -22   10 o    3.886000      0.6230000       3.062000 1.014000       4.710000      0.7247000      -1.649000       1.246000
  1 1 1       9  -22   11 o    3.842000      0.6794000       4.205000 0.9653000       3.479000      0.9562000      0.7259000       1.359000
  1 1 1       9  -22   12 o    2.073000      0.6359000       2.319000 0.9611000       1.826000      0.8328000      0.4934000       1.272000
  1 1 1       9  -22   13 o    3.889000      0.5931000       4.465000 0.7768000       3.313000      0.8964000       1.152000       1.186000
  1 1 1       9  -22   14 o    2.152000      0.6266000       2.246000 0.9030000       2.058000      0.8690000      0.1879000       1.253000
  1 1 1       9  -22   15 o    4.218000      0.5883000       3.701000 0.9429000       4.734000      0.7037000      -1.033000       1.177000
  1 1 1       9  -22   16 o    3.407000      0.5738000       2.193000 0.9223000       4.621000      0.6830000      -2.428000       1.148000
  1 1 1       9  -22   17 f    2.640000      0.6130000       3.557000 0.9395000       1.723000      0.7875000       1.834000       1.226000
  1 1 1       9  -22   18 o    3.366000      0.6450000       3.118000 0.9835000       3.615000      0.8347000     -0.4963000       1.290000
  1 1 1       9  -22   19 o    3.862000      0.6577000       3.989000 1.003000       3.735000      0.8516000      0.2536000       1.315000
  1 1 1       9  -22   20 o    1.723000      0.5722000       2.081000 0.9282000       1.365000      0.6695000      0.7157000       1.144000
  1 1 1       9  -22   21 o    3.191000      0.7480000       3.603000 1.113000       2.778000      0.9998000      0.8246000       1.496000
  1 1 1       9  -22   22 o    2.610000      0.7196000       2.887000 1.099000       2.332000      0.9296000      0.5553000       1.439000
  1 1 1       9  -21    0 o    2.023000      0.5902000       1.819000 0.7653000       2.227000      0.8989000     -0.4075000       1.180000
  1 1 1       9  -21    1 o    2.628000      0.8624000       2.628000 0.8624000                  ?              ?              ?              ?
  1 1 1       9  -21    2 o    7.181000      0.3492000       7.195000 0.4661000       7.167000      0.5201000      0.2800000E-01  0.6984000
  1 1 1       9  -21    4 o    3.580000      0.5699000       2.901000 0.9121000       4.260000      0.6835000      -1.359000       1.140000
  1 1 1       9  -21    5 f    4.868000      0.5018000       5.877000 0.5758000       3.858000      0.8221000       2.019000       1.004000
  1 1 1       9  -21    6 o    3.362000      0.6320000       4.197000 0.8630000       2.527000      0.9237000       1.670000       1.264000
  1 1 1       9  -21    7 o    4.576000      0.5933000       4.907000 0.7848000       4.246000      0.8899000      0.6606000       1.187000
  1 1 1       9  -21    8 o    2.728000      0.7058000       2.860000 1.010000       2.596000      0.9862000      0.2638000       1.412000
  1 1 1       9  -21    9 o    6.435000      0.5112000       6.352000 0.7749000       6.518000      0.6670000     -0.1659000       1.022000
  1 1 1       9  -21   10 o    7.148000      0.4038000       6.559000 0.5420000       7.738000      0.5986000      -1.180000      0.8075000
  1 1 1       9  -21   11 f    3.908000      0.6282000       5.191000 0.7612000       2.625000      0.9994000       2.566000       1.256000
  1 1 1       9  -21   12 o    2.108000      0.6336000       2.486000 0.9827000       1.730000      0.8002000      0.7561000       1.267000
  1 1 1       9  -21   13 f    3.050000      0.6158000       3.116000 0.8933000       2.983000      0.8478000      0.1324000       1.232000
  1 1 1       9  -21   14 o    2.564000      0.5906000       3.304000 0.8655000       1.823000      0.8039000       1.480000       1.181000
  1 1 1       9  -21   15 o    5.562000      0.4022000       5.406000 0.5870000       5.718000      0.5500000     -0.3119000      0.8044000
  1 1 1       9  -21   16 o    4.577000      0.4607000       5.094000 0.6061000       4.061000      0.6941000       1.033000      0.9214000
  1 1 1       9  -21   17 o    5.589000      0.3870000       5.316000 0.5880000       5.863000      0.5032000     -0.5474000      0.7740000
  1 1 1       9  -21   18 o    4.184000      0.5576000       4.448000 0.8087000       3.920000      0.7679000      0.5286000       1.115000
  1 1 1       9  -21   19 o    6.875000      0.3765000       6.508000 0.6081000       7.241000      0.4439000     -0.7339000      0.7529000
  1 1 1       9  -21   20 o    4.853000      0.5333000       5.267000 0.7875000       4.440000      0.7194000      0.8268000       1.067000
  1 1 1       9  -21   21 o    3.230000      0.6805000       2.844000 1.053000       3.615000      0.8629000     -0.7719000       1.361000
  1 1 1       9  -21   22 o    2.205000      0.6403000       2.077000 0.9255000       2.334000      0.8852000     -0.2570000       1.281000
  1 1 1       9  -21   23 o    3.939000      0.7047000       3.932000 1.061000       3.946000      0.9275000     -0.1443000E-01   1.409000
  1 1 1       9  -20    0 f    8.767000      0.2960000       8.525000 0.3748000       9.008000      0.4583000     -0.4835000      0.5920000
  1 1 1       9  -20    1 o    5.746000      0.3982000       5.567000 0.5112000       5.926000      0.6105000     -0.3590000      0.7963000
  1 1 1       9  -20    2 o    4.723000      0.5459000       6.202000 0.5196000       3.243000      0.9603000       2.959000       1.092000
  1 1 1       9  -20    3 o    13.07000      0.3290000       12.22000 0.4297000       13.91000      0.4982000      -1.692000      0.6579000
  1 1 1       9  -20    4 o    4.125000      0.5149000       3.728000 0.7613000       4.522000      0.6933000     -0.7938000       1.030000
  1 1 1       9  -20    5 o    8.569000      0.3217000       8.602000 0.4324000       8.536000      0.4765000      0.6585000E-01  0.6434000
  1 1 1       9  -20    6 o    2.650000      0.6614000       2.785000 0.9738000       2.514000      0.8953000      0.2709000       1.323000
  1 1 1       9  -20    7 o    6.628000      0.4476000       6.424000 0.6286000       6.832000      0.6375000     -0.4073000      0.8953000
  1 1 1       9  -20    8 o    6.616000      0.4102000       6.361000 0.6180000       6.872000      0.5396000     -0.5103000      0.8204000
  1 1 1       9  -20    9 o    3.643000      0.6316000       2.644000 1.005000       4.641000      0.7646000      -1.998000       1.263000
  1 1 1       9  -20   10 o    5.319000      0.5248000       4.931000 0.7346000       5.708000      0.7496000     -0.7771000       1.050000
  1 1 1       9  -20   11 o    4.163000      0.6140000       5.750000 0.6804000       2.576000       1.022000       3.174000       1.228000
  1 1 1       9  -20   12 o    6.365000      0.4243000       6.619000 0.5696000       6.111000      0.6291000      0.5072000      0.8486000
  1 1 1       9  -20   13 o    2.824000      0.6366000       3.054000 0.8931000       2.593000      0.9074000      0.4615000       1.273000
  1 1 1       9  -20   14 o    6.868000      0.3363000       7.180000 0.4734000       6.556000      0.4777000      0.6237000      0.6725000
  1 1 1       9  -20   15 o    6.883000      0.3309000       7.116000 0.4706000       6.649000      0.4654000      0.4671000      0.6618000
  1 1 1       9  -20   16 o    3.560000      0.5001000       3.231000 0.7539000       3.888000      0.6573000     -0.6573000       1.000000
  1 1 1       9  -20   17 o    2.684000      0.5924000       2.954000 0.8338000       2.414000      0.8416000      0.5404000       1.185000
  1 1 1       9  -20   18 o    2.374000      0.5765000       2.875000 0.8619000       1.874000      0.7659000       1.001000       1.153000
  1 1 1       9  -20   19 o    3.493000      0.5854000       3.348000 0.9323000       3.637000      0.7084000     -0.2889000       1.171000
  1 1 1       9  -20   20 o    4.578000      0.5320000       4.033000 0.8783000       5.122000      0.6006000      -1.089000       1.064000
  1 1 1       9  -20   21 o    3.519000      0.6758000       3.943000 0.9807000       3.095000      0.9300000      0.8479000       1.352000
  1 1 1       9  -20   22 o    4.095000      0.6190000       3.311000 1.063000       4.880000      0.6338000      -1.569000       1.238000
  1 1 1       9  -20   23 o    2.600000      0.6814000       3.057000 1.051000       2.143000      0.8671000      0.9133000       1.363000
  1 1 1       9  -20   24 o    2.308000      0.6738000       2.241000 0.9775000       2.375000      0.9277000     -0.1345000       1.348000
  1 1 1       9  -20   25 o    2.485000      0.7306000       2.504000 1.060000       2.467000       1.006000      0.3768000E-01   1.461000
  1 1 1       9  -19    0 o    7.597000      0.3086000       7.277000 0.4030000       7.918000      0.4676000     -0.6413000      0.6173000
  1 1 1       9  -19    1 o    3.436000      0.5602000       3.638000 0.6804000       3.234000      0.8901000      0.4036000       1.120000
  1 1 1       9  -19    2 o    7.237000      0.3234000       7.529000 0.3977000       6.945000      0.5101000      0.5845000      0.6468000
  1 1 1       9  -19    3 o    7.194000      0.3128000       6.894000 0.4407000       7.494000      0.4441000     -0.6001000      0.6257000
  1 1 1       9  -19    4 o    12.30000      0.2999000       12.20000 0.4224000       12.41000      0.4259000     -0.2089000      0.5999000
  1 1 1       9  -19    5 o    10.41000      0.3117000       10.56000 0.4280000       10.26000      0.4533000      0.2979000      0.6235000
  1 1 1       9  -19    6 f    5.351000      0.4244000       5.456000 0.5848000       5.246000      0.6153000      0.2095000      0.8489000
  1 1 1       9  -19    7 o    1.784000      0.5659000       1.863000 0.8357000       1.704000      0.7633000      0.1594000       1.132000
  1 1 1       9  -19    8 o    5.838000      0.4367000       5.670000 0.6809000       6.006000      0.5468000     -0.3357000      0.8733000
  1 1 1       9  -19    9 o    2.838000      0.6789000       3.351000 1.011000       2.325000      0.9061000       1.025000       1.358000
  1 1 1       9  -19   10 o    5.160000      0.4744000       5.128000 0.7158000       5.191000      0.6228000     -0.6315000E-01  0.9488000
  1 1 1       9  -19   11 f    2.609000      0.7142000       2.400000 0.9751000       2.818000       1.044000     -0.4181000       1.428000
  1 1 1       9  -19   12 o    2.186000      0.6694000       2.181000 0.9379000       2.191000      0.9555000     -0.9776000E-02   1.339000
  1 1 1       9  -19   13 o    3.423000      0.5856000       4.105000 0.7207000       2.740000      0.9232000       1.365000       1.171000
  1 1 1       9  -19   14 f    4.482000      0.4358000       4.341000 0.6123000       4.623000      0.6203000     -0.2810000      0.8715000
  1 1 1       9  -19   15 o    2.200000      0.5919000       1.866000 0.7857000       2.534000      0.8855000     -0.6676000       1.184000
  1 1 1       9  -19   16 f    2.902000      0.5404000       2.739000 0.7836000       3.064000      0.7443000     -0.3248000       1.081000
  1 1 1       9  -19   17 o    4.139000      0.4418000       4.970000 0.5326000       3.308000      0.7050000       1.661000      0.8836000
  1 1 1       9  -19   18 o    4.397000      0.4194000       3.997000 0.6798000       4.797000      0.4913000     -0.7998000      0.8387000
  1 1 1       9  -19   19 o    4.102000      0.4997000       3.317000 0.8616000       4.887000      0.5065000      -1.570000      0.9995000
  1 1 1       9  -19   20 o    6.696000      0.3452000       6.355000 0.5445000       7.037000      0.4245000     -0.6813000      0.6905000
  1 1 1       9  -19   21 o    6.556000      0.3966000       6.250000 0.6642000       6.862000      0.4338000     -0.6123000      0.7933000
  1 1 1       9  -19   22 o    2.118000      0.6223000       2.418000 0.9677000       1.819000      0.7828000      0.5994000       1.245000
  1 1 1       9  -19   23 o    2.670000      0.6746000       2.409000 0.9780000       2.931000      0.9295000     -0.5217000       1.349000
  1 1 1       9  -19   24 o    2.756000      0.6686000       2.172000 0.9732000       3.341000      0.9171000      -1.169000       1.337000
  1 1 1       9  -19   25 o    3.695000      0.6599000       3.339000 1.026000       4.051000      0.8300000     -0.7120000       1.320000
  1 1 1       9  -19   26 o    2.526000      0.6678000       2.325000 0.9649000       2.727000      0.9235000     -0.4025000       1.336000
  1 1 1       9  -18    0 o    4.081000      0.4491000       4.265000 0.5236000       3.897000      0.7297000      0.3678000      0.8981000
  1 1 1       9  -18    1 o    9.869000      0.2688000       9.805000 0.3478000       9.932000      0.4099000     -0.1268000      0.5376000
  1 1 1       9  -18    2 o    6.272000      0.4045000       6.272000 0.4045000                  ?              ?              ?              ?
  1 1 1       9  -18    3 o    7.107000      0.2976000       7.151000 0.4090000       7.063000      0.4324000      0.8759000E-01  0.5952000
  1 1 1       9  -18    5 o    2.306000      0.5635000       2.665000 0.7987000       1.946000      0.7950000      0.7192000       1.127000
  1 1 1       9  -18    6 o    3.534000      0.5659000       3.900000 0.7609000       3.168000      0.8377000      0.7323000       1.132000
  1 1 1       9  -18    7 o    5.548000      0.4312000       5.639000 0.6486000       5.457000      0.5682000      0.1821000      0.8623000
  1 1 1       9  -18    8 o    2.658000      0.5677000       1.803000 0.8230000       3.512000      0.7822000      -1.710000       1.135000
  1 1 1       9  -18    9 o    2.902000      0.6616000       2.881000 0.9803000       2.924000      0.8889000     -0.4287000E-01   1.323000
  1 1 1       9  -18   10 o    6.910000      0.3867000       6.832000 0.5897000       6.987000      0.5003000     -0.1542000      0.7734000
  1 1 1       9  -18   11 o    2.971000      0.6985000       2.403000 0.9728000       3.539000       1.003000      -1.136000       1.397000
  1 1 1       9  -18   12 f    9.364000      0.3341000       8.831000 0.4727000       9.897000      0.4723000      -1.066000      0.6682000
  1 1 1       9  -18   13 o    6.868000      0.3280000       7.158000 0.4460000       6.578000      0.4811000      0.5797000      0.6561000
  1 1 1       9  -18   14 o    7.340000      0.3122000       7.813000 0.4083000       6.868000      0.4725000      0.9449000      0.6245000
  1 1 1       9  -18   15 o    4.118000      0.4471000       4.363000 0.5688000       3.873000      0.6899000      0.4906000      0.8942000
  1 1 1       9  -18   16 f    4.934000      0.3372000       5.005000 0.4835000       4.863000      0.4701000      0.1420000      0.6744000
  1 1 1       9  -18   17 o    8.928000      0.2623000       9.012000 0.3858000       8.843000      0.3556000      0.1691000      0.5246000
  1 1 1       9  -18   18 o    5.868000      0.3107000       6.406000 0.4525000       5.329000      0.4260000       1.077000      0.6214000
  1 1 1       9  -18   19 o    4.150000      0.4595000       3.977000 0.7547000       4.323000      0.5245000     -0.3460000      0.9190000
  1 1 1       9  -18   20 o    6.697000      0.3295000       6.174000 0.5369000       7.219000      0.3820000      -1.045000      0.6589000
  1 1 1       9  -18   21 o    1.638000      0.5147000       1.559000 0.7335000       1.716000      0.7222000     -0.1566000       1.029000
  1 1 1       9  -18   22 o    2.495000      0.6136000       3.175000 0.9621000       1.815000      0.7617000       1.360000       1.227000
  1 1 1       9  -18   23 o    2.551000      0.6584000       3.085000 1.044000       2.018000      0.8030000       1.067000       1.317000
  1 1 1       9  -18   24 o    2.986000      0.6730000       2.806000 0.9975000       3.166000      0.9038000     -0.3596000       1.346000
  1 1 1       9  -18   25 o    2.310000      0.6419000       2.730000 0.9979000       1.889000      0.8077000      0.8411000       1.284000
  1 1 1       9  -18   26 o    2.892000      0.6339000       2.528000 0.9725000       3.257000      0.8134000     -0.7290000       1.268000
  1 1 1       9  -18   27 o    2.158000      0.6311000       2.386000 0.9702000       1.931000      0.8075000      0.4553000       1.262000
  1 1 1       9  -17    0 o    7.091000      0.2403000       6.696000 0.3173000       7.487000      0.3610000     -0.7918000      0.4807000
  1 1 1       9  -17    1 o    8.011000      0.2534000       7.880000 0.3283000       8.143000      0.3860000     -0.2622000      0.5067000
  1 1 1       9  -17    2 o    4.664000      0.4503000       4.664000 0.4503000                  ?              ?              ?              ?
  1 1 1       9  -17    3 o    2.140000      0.5634000       1.909000 0.7536000       2.370000      0.8377000     -0.4608000       1.127000
  1 1 1       9  -17    4 o    2.144000      0.8215000                  ?       ?   2.144000      0.8215000                  ?              ?
  1 1 1       9  -17    5 o    2.112000      0.5592000       1.798000 0.7492000       2.426000      0.8304000     -0.6284000       1.118000
  1 1 1       9  -17    6 o    3.784000      0.4886000       3.407000 0.7285000       4.161000      0.6512000     -0.7546000      0.9771000
  1 1 1       9  -17    7 o    1.480000      0.5007000       1.482000 0.7117000       1.477000      0.7045000      0.4391000E-02   1.001000
  1 1 1       9  -17    8 o    6.544000      0.3662000       6.988000 0.5064000       6.100000      0.5293000      0.8873000      0.7325000
  1 1 1       9  -17    9 o    9.582000      0.3203000       9.395000 0.4576000       9.770000      0.4483000     -0.3747000      0.6406000
  1 1 1       9  -17   10 o    2.304000      0.6592000       2.286000 0.9748000       2.322000      0.8878000     -0.3554000E-01   1.318000
  1 1 1       9  -17   11 f    3.492000      0.8688000       3.340000 1.337000       3.644000       1.110000     -0.3039000       1.738000
  1 1 1       9  -17   12 o    2.969000      0.8617000       2.875000 1.281000       3.063000       1.153000     -0.1881000       1.723000
  1 1 1       9  -17   13 o    3.714000      0.9104000       3.509000 1.406000       3.918000       1.158000     -0.4088000       1.821000
  1 1 1       9  -17   14 o    3.878000      0.9619000       3.761000 1.415000       3.995000       1.303000     -0.2349000       1.924000
  1 1 1       9  -17   15 o    3.152000      0.9328000       3.363000 1.327000       2.940000       1.311000      0.4229000       1.866000
  1 1 1       9  -17   17 o    3.841000      0.9972000       3.346000 1.288000       4.336000       1.523000     -0.9898000       1.994000
  1 1 1       9  -17   19 o    4.079000       1.007000       4.367000 1.426000       3.792000       1.421000      0.5758000       2.013000
  1 1 1       9  -17   20 o    3.529000      0.9941000       3.920000 1.500000       3.138000       1.304000      0.7820000       1.988000
  1 1 1       9  -17   21 o    3.145000      0.9552000       3.497000 1.461000       2.794000       1.231000      0.7029000       1.910000
  1 1 1       9  -17   22 o    2.950000      0.8876000       2.635000 1.211000       3.265000       1.298000     -0.6300000       1.775000
  1 1 1       9  -17   23 o    3.490000      0.9335000       3.133000 1.319000       3.847000       1.321000     -0.7140000       1.867000
  1 1 1       9  -17   24 o    3.604000      0.8456000       4.621000 1.269000       2.588000       1.118000       2.033000       1.691000
  1 1 1       9  -17   25 o    3.568000      0.8837000       3.739000 1.282000       3.397000       1.217000      0.3425000       1.767000
  1 1 1       9  -17   26 o    3.960000      0.8532000       3.411000 1.263000       4.510000       1.148000      -1.098000       1.706000
  1 1 1       9  -17   27 o    2.740000      0.7806000       2.686000 1.104000       2.794000       1.104000     -0.1079000       1.561000
  1 1 1       9  -17   28 o    2.801000      0.7586000       2.805000 1.048000       2.797000       1.097000      0.7892000E-02   1.517000
  1 1 1       9  -16    0 f    1.919000      0.4792000       1.879000 0.6352000       1.959000      0.7178000     -0.7987000E-01  0.9585000
  1 1 1       9  -16    1 o    6.019000      0.2608000       5.602000 0.3639000       6.435000      0.3737000     -0.8328000      0.5216000
  1 1 1       9  -16    2 o    7.209000      0.2655000       7.553000 0.3297000       6.866000      0.4161000      0.6870000      0.5309000
  1 1 1       9  -16    3 o    4.579000      0.3616000       4.214000 0.5127000       4.944000      0.5101000     -0.7305000      0.7232000
  1 1 1       9  -16    4 o    4.816000      0.3407000       4.322000 0.4892000       5.309000      0.4744000     -0.9865000      0.6814000
  1 1 1       9  -16    5 o    6.884000      0.2903000       6.743000 0.4169000       7.025000      0.4041000     -0.2819000      0.5807000
  1 1 1       9  -16    6 o    4.341000      0.3706000       4.805000 0.5122000       3.877000      0.5358000      0.9276000      0.7412000
  1 1 1       9  -16    7 o    3.035000      0.5628000       3.557000 0.7600000       2.513000      0.8303000       1.044000       1.126000
  1 1 1       9  -16    8 o    6.065000      0.3855000       5.866000 0.5757000       6.263000      0.5129000     -0.3973000      0.7710000
  1 1 1       9  -16    9 o    3.104000      0.5966000       3.328000 0.8803000       2.881000      0.8054000      0.4464000       1.193000
  1 1 1       9  -16   10 o    4.583000      0.5422000       4.532000 0.8292000       4.635000      0.6987000     -0.1024000       1.084000
  1 1 1       9  -16   11 o    3.362000      0.6798000       2.673000 0.9924000       4.050000      0.9294000      -1.377000       1.360000
  1 1 1       9  -16   12 f    4.770000      0.5791000       4.413000 0.8380000       5.126000      0.7996000     -0.7122000       1.158000
  1 1 1       9  -16   13 o    5.836000      0.3456000       6.093000 0.4622000       5.579000      0.5140000      0.5144000      0.6913000
  1 1 1       9  -16   14 o    3.391000      0.4994000       2.974000 0.7744000       3.807000      0.6309000     -0.8329000      0.9988000
  1 1 1       9  -16   15 o    1.550000      0.4732000       1.740000 0.7036000       1.361000      0.6329000      0.3790000      0.9463000
  1 1 1       9  -16   16 o    2.741000      0.4526000       2.332000 0.6994000       3.149000      0.5747000     -0.8166000      0.9053000
  1 1 1       9  -16   17 o    6.782000      0.2542000       6.980000 0.3677000       6.584000      0.3510000      0.3960000      0.5083000
  1 1 1       9  -16   18 o    4.941000      0.3042000       4.453000 0.4962000       5.430000      0.3519000     -0.9774000      0.6083000
  1 1 1       9  -16   19 o    4.265000      0.3393000       4.686000 0.4957000       3.843000      0.4634000      0.8429000      0.6786000
  1 1 1       9  -16   20 o    3.913000      0.6592000       5.080000 0.5249000       2.746000       1.209000       2.334000       1.318000
  1 1 1       9  -16   21 f    4.351000      0.4063000       3.825000 0.7059000       4.878000      0.4026000      -1.054000      0.8126000
  1 1 1       9  -16   22 o    1.622000      0.5184000       1.682000 0.7868000       1.563000      0.6751000      0.1197000       1.037000
  1 1 1       9  -16   23 o    3.603000      0.5446000       3.097000 0.9169000       4.109000      0.5881000      -1.012000       1.089000
  1 1 1       9  -16   24 o    6.426000      0.3468000       6.265000 0.5569000       6.587000      0.4134000     -0.3226000      0.6936000
  1 1 1       9  -16   25 o    1.734000      0.5475000       2.060000 0.8799000       1.408000      0.6518000      0.6512000       1.095000
  1 1 1       9  -16   26 o    3.120000      0.5993000       2.691000 0.9359000       3.548000      0.7488000     -0.8574000       1.199000
  1 1 1       9  -16   27 o    1.835000      0.5568000       1.817000 0.7947000       1.854000      0.7801000     -0.3680000E-01   1.114000
  1 1 1       9  -16   28 o    2.929000      0.5711000       2.527000 0.8622000       3.331000      0.7491000     -0.8037000       1.142000
  1 1 1       9  -16   29 o    3.752000      0.5263000       4.083000 0.7096000       3.421000      0.7774000      0.6625000       1.053000
  1 1 1       9  -15    0 o    7.568000      0.2181000       7.570000 0.2934000       7.566000      0.3229000      0.3771000E-02  0.4363000
  1 1 1       9  -15    1 o    2.457000      0.5039000       1.809000 0.6693000       3.105000      0.7536000      -1.296000       1.008000
  1 1 1       9  -15    2 o    4.785000      0.3581000       5.124000 0.4355000       4.446000      0.5687000      0.6775000      0.7162000
  1 1 1       9  -15    3 o    2.828000      0.4795000       3.136000 0.6362000       2.521000      0.7176000      0.6143000      0.9590000
  1 1 1       9  -15    4 o    2.274000      0.4356000       3.138000 0.5871000       1.411000      0.6436000       1.728000      0.8712000
  1 1 1       9  -15    5 o    1.728000      0.5007000       1.563000 0.6741000       1.893000      0.7406000     -0.3301000       1.001000
  1 1 1       9  -15    6 o    5.185000      0.3212000       5.417000 0.4344000       4.954000      0.4732000      0.4632000      0.6423000
  1 1 1       9  -15    7 o    6.087000      0.3028000       5.717000 0.4678000       6.458000      0.3847000     -0.7405000      0.6057000
  1 1 1       9  -15    8 o    3.863000      0.9417000       3.860000 0.5731000       3.866000       1.794000     -0.5836000E-02   1.883000
  1 1 1       9  -15    9 o    3.646000       1.184000       2.923000 1.267000       4.370000       2.001000      -1.447000       2.368000
  1 1 1       9  -15   10 o    5.837000       1.040000       7.181000 0.9381000       4.494000       1.857000       2.687000       2.080000
  1 1 1       9  -15   11 o    2.825000      0.8226000       2.151000 0.9322000       3.499000       1.356000      -1.348000       1.645000
  1 1 1       9  -15   12 o    5.346000      0.7246000       5.322000 0.7568000       5.371000       1.236000     -0.4927000E-01   1.449000
  1 1 1       9  -15   13 o    3.527000      0.5429000       2.607000 0.8315000       4.448000      0.6982000      -1.841000       1.086000
  1 1 1       9  -15   14 o    8.751000      0.2742000       8.703000 0.3678000       8.798000      0.4068000     -0.9484000E-01  0.5484000
  1 1 1       9  -15   15 f    10.73000      0.2545000       11.09000 0.3763000       10.37000      0.3428000      0.7205000      0.5090000
  1 1 1       9  -15   16 o    5.537000      0.2478000       5.724000 0.3469000       5.350000      0.3539000      0.3731000      0.4955000
  1 1 1       9  -15   17 o    4.184000      0.3000000       4.302000 0.4230000       4.066000      0.4254000      0.2362000      0.5999000
  1 1 1       9  -15   18 o    2.720000      0.4586000       2.827000 0.7070000       2.613000      0.5844000      0.2137000      0.9172000
  1 1 1       9  -15   19 o    3.918000      0.3499000       3.910000 0.5512000       3.926000      0.4311000     -0.1621000E-01  0.6998000
  1 1 1       9  -15   20 o    4.369000      0.3476000       4.254000 0.5825000       4.484000      0.3795000     -0.2300000      0.6952000
  1 1 1       9  -15   21 o    5.367000      0.3187000       6.002000 0.4981000       4.732000      0.3977000       1.270000      0.6374000
  1 1 1       9  -15   22 o    7.180000      0.3072000       7.311000 0.5120000       7.049000      0.3396000      0.2618000      0.6144000
  1 1 1       9  -15   23 o    5.878000      0.3644000       5.883000 0.5847000       5.874000      0.4352000      0.9153000E-02  0.7288000
  1 1 1       9  -15   24 o    5.019000      0.4712000       5.045000 0.8084000       4.993000      0.4845000      0.5224000E-01  0.9425000
  1 1 1       9  -15   25 o    3.580000      0.6094000       3.024000 1.044000       4.135000      0.6288000      -1.111000       1.219000
  1 1 1       9  -15   26 o    1.895000      0.6003000       2.260000 0.9675000       1.529000      0.7109000      0.7309000       1.201000
  1 1 1       9  -15   27 o    2.207000      0.6550000       2.561000 1.020000       1.852000      0.8220000      0.7090000       1.310000
  1 1 1       9  -15   28 o    3.413000      0.6904000       3.319000 1.050000       3.507000      0.8971000     -0.1879000       1.381000
  1 1 1       9  -15   29 f    1.654000      0.5505000       1.697000 0.8035000       1.611000      0.7526000      0.8596000E-01   1.101000
  1 1 1       9  -15   30 o    2.228000      0.5312000       1.550000 0.7117000       2.905000      0.7888000      -1.356000       1.062000
  1 1 1       9  -14    0 o    1.687000      0.3981000       1.204000 0.5323000       2.171000      0.5921000     -0.9671000      0.7962000
  1 1 1       9  -14    1 o    11.54000      0.2104000       11.45000 0.2856000       11.62000      0.3090000     -0.1660000      0.4208000
  1 1 1       9  -14    2 o    5.315000      0.2397000       5.288000 0.3096000       5.342000      0.3661000     -0.5409000E-01  0.4795000
  1 1 1       9  -14    3 o    1.254000      0.5598000       1.254000 0.5598000                  ?              ?              ?              ?
  1 1 1       9  -14    4 o    2.631000      0.7749000       2.662000 1.060000       2.599000       1.130000      0.6316000E-01   1.550000
  1 1 1       9  -14    5 o    7.076000       1.039000                  ?       ?   7.076000       1.039000                  ?              ?
  1 1 1       9  -14    6 o    4.910000       1.038000       5.293000 1.318000       4.526000       1.603000      0.7672000       2.075000
  1 1 1       9  -14    7 o    5.218000      0.3124000       5.286000 0.4319000       5.150000      0.4514000      0.1361000      0.6248000
  1 1 1       9  -14    8 o    4.829000      0.3942000       5.293000 0.5358000       4.365000      0.5782000      0.9273000      0.7883000
  1 1 1       9  -14    9 o    4.737000      0.3937000       4.743000 0.5531000       4.731000      0.5604000      0.1173000E-01  0.7874000
  1 1 1       9  -14   10 o    1.506000      0.4888000       1.219000 0.6015000       1.793000      0.7708000     -0.5740000      0.9777000
  1 1 1       9  -14   11 o    6.475000      0.3798000       6.729000 0.5350000       6.221000      0.5393000      0.5087000      0.7596000
  1 1 1       9  -14   12 o    8.032000      0.3226000       7.424000 0.4713000       8.641000      0.4406000      -1.217000      0.6452000
  1 1 1       9  -14   13 o    6.300000      0.2945000       5.937000 0.4321000       6.663000      0.4003000     -0.7257000      0.5891000
  1 1 1       9  -14   14 o    4.062000      0.3834000       4.314000 0.4835000       3.810000      0.5952000      0.5041000      0.7668000
  1 1 1       9  -14   15 o    6.101000      0.2491000       6.394000 0.3458000       5.808000      0.3587000      0.5854000      0.4983000
  1 1 1       9  -14   16 o    2.376000      0.4534000       2.491000 0.6263000       2.261000      0.6557000      0.2302000      0.9067000
  1 1 1       9  -14   17 o    7.069000      0.2263000       6.910000 0.3331000       7.228000      0.3065000     -0.3184000      0.4526000
  1 1 1       9  -14   18 o    3.768000      0.3131000       4.007000 0.4798000       3.528000      0.4025000      0.4792000      0.6262000
  1 1 1       9  -14   19 o    5.471000      0.2671000       4.966000 0.4313000       5.976000      0.3150000      -1.010000      0.5341000
  1 1 1       9  -14   20 f    7.015000      0.2564000       6.898000 0.4105000       7.132000      0.3072000     -0.2341000      0.5127000
  1 1 1       9  -14   21 o    6.681000      0.2741000       6.150000 0.4371000       7.212000      0.3308000      -1.062000      0.5482000
  1 1 1       9  -14   22 o    10.13000      0.2709000       10.07000 0.4424000       10.19000      0.3128000     -0.1102000      0.5418000
  1 1 1       9  -14   23 o    3.636000      0.4892000       3.076000 0.8670000       4.195000      0.4534000      -1.119000      0.9784000
  1 1 1       9  -14   24 o    1.963000      0.5411000       2.026000 0.8209000       1.901000      0.7053000      0.1256000       1.082000
  1 1 1       9  -14   25 o    4.576000      0.3637000       4.487000 0.5748000       4.664000      0.4458000     -0.1770000      0.7274000
  1 1 1       9  -14   26 o    2.003000      0.5404000       1.993000 0.8022000       2.012000      0.7243000     -0.1852000E-01   1.081000
  1 1 1       9  -14   27 o    2.439000      0.5496000       2.100000 0.8238000       2.777000      0.7279000     -0.6769000       1.099000
  1 1 1       9  -14   28 o    1.944000      0.5469000       1.855000 0.7907000       2.034000      0.7558000     -0.1788000       1.094000
  1 1 1       9  -14   29 o    2.862000      0.5162000       3.462000 0.6784000       2.262000      0.7782000       1.200000       1.032000
  1 1 1       9  -14   30 f    1.482000      0.4765000       1.428000 0.6597000       1.537000      0.6877000     -0.1089000      0.9529000
  1 1 1       9  -13    0 o    5.908000      0.2893000       6.161000 0.3968000       5.656000      0.4211000      0.5044000      0.5786000
  1 1 1       9  -13    1 o    3.689000      0.4935000       4.019000 0.5803000       3.358000      0.7984000      0.6617000      0.9870000
  1 1 1       9  -13    2 o    2.297000      0.5236000       3.078000 0.7777000       1.515000      0.7014000       1.563000       1.047000
  1 1 1       9  -13    3 o    7.083000      0.2744000       7.083000 0.2744000                  ?              ?              ?              ?
  1 1 1       9  -13    4 o    3.279000      0.3741000       3.271000 0.4774000       3.287000      0.5762000     -0.1661000E-01  0.7483000
  1 1 1       9  -13    5 o    6.019000      0.3746000                  ?       ?   6.019000      0.3746000                  ?              ?
  1 1 1       9  -13    6 o    3.232000      0.3922000       2.985000 0.5619000       3.479000      0.5473000     -0.4940000      0.7844000
  1 1 1       9  -13    7 o    6.258000      0.2658000       6.560000 0.3688000       5.956000      0.3830000      0.6035000      0.5317000
  1 1 1       9  -13    8 o    6.127000      0.2946000       6.307000 0.4181000       5.947000      0.4151000      0.3598000      0.5891000
  1 1 1       9  -13    9 o    3.722000      0.4548000       3.586000 0.6735000       3.858000      0.6115000     -0.2715000      0.9097000
  1 1 1       9  -13   10 o    2.319000      0.5596000       2.141000 0.8036000       2.496000      0.7791000     -0.3551000       1.119000
  1 1 1       9  -13   11 o    7.545000      0.3236000       7.278000 0.4747000       7.812000      0.4398000     -0.5343000      0.6471000
  1 1 1       9  -13   12 o    3.412000      0.6142000       3.653000 0.8013000       3.172000      0.9311000      0.4804000       1.228000
  1 1 1       9  -13   13 o    13.45000      0.2563000       13.65000 0.3807000       13.25000      0.3432000      0.3975000      0.5125000
  1 1 1       9  -13   14 o    9.060000      0.2390000       8.788000 0.3303000       9.332000      0.3455000     -0.5438000      0.4779000
  1 1 1       9  -13   15 o    3.715000      0.3293000       2.987000 0.5441000       4.443000      0.3711000      -1.456000      0.6586000
  1 1 1       9  -13   16 o    11.70000      0.2443000       11.51000 0.3574000       11.89000      0.3332000     -0.3846000      0.4886000
  1 1 1       9  -13   17 o    10.68000      0.2440000       10.57000 0.3499000       10.78000      0.3401000     -0.2158000      0.4880000
  1 1 1       9  -13   18 o    5.396000      0.2423000       5.169000 0.3845000       5.624000      0.2950000     -0.4549000      0.4846000
  1 1 1       9  -13   19 o    9.439000      0.2354000       9.728000 0.3602000       9.149000      0.3033000      0.5794000      0.4709000
  1 1 1       9  -13   20 o    15.71000      0.2995000       15.60000 0.4674000       15.82000      0.3747000     -0.2126000      0.5990000
  1 1 1       9  -13   21 o    4.509000      0.3494000       4.041000 0.6070000       4.978000      0.3463000     -0.9378000      0.6988000
  1 1 1       9  -13   22 o    5.845000      0.2985000       5.530000 0.4952000       6.159000      0.3335000     -0.6292000      0.5971000
  1 1 1       9  -13   23 o    7.402000      0.2827000       7.179000 0.4222000       7.626000      0.3760000     -0.4463000      0.5653000
  1 1 1       9  -13   24 o    2.156000      0.5200000       2.307000 0.7920000       2.005000      0.6742000      0.3018000       1.040000
  1 1 1       9  -13   25 o    2.016000      0.5050000       2.097000 0.7650000       1.935000      0.6594000      0.1616000       1.010000
  1 1 1       9  -13   26 o    2.247000      0.5270000       2.408000 0.7880000       2.087000      0.7000000      0.3209000       1.054000
  1 1 1       9  -13   27 o    1.860000      0.4910000       1.434000 0.6622000       2.287000      0.7250000     -0.8533000      0.9820000
  1 1 1       9  -13   28 o    2.060000      0.5312000       2.207000 0.7936000       1.913000      0.7064000      0.2937000       1.062000
  1 1 1       9  -13   29 o    5.960000      0.2763000       5.925000 0.4032000       5.996000      0.3780000     -0.7081000E-01  0.5527000
  1 1 1       9  -13   30 o    2.536000      0.5391000       2.214000 0.7828000       2.858000      0.7415000     -0.6447000       1.078000
  1 1 1       9  -13   31 o    1.641000      0.5057000       1.721000 0.7327000       1.561000      0.6972000      0.1603000       1.011000
  1 1 1       9  -12    0 o    3.501000      0.2750000       3.600000 0.3640000       3.403000      0.4122000      0.1965000      0.5500000
  1 1 1       9  -12    1 o    6.338000      0.1896000       6.319000 0.2563000       6.357000      0.2795000     -0.3758000E-01  0.3792000
  1 1 1       9  -12    2 o    5.008000      0.2257000       5.053000 0.2958000       4.964000      0.3410000      0.8929000E-01  0.4514000
  1 1 1       9  -12    3 o    4.535000      0.2436000       4.668000 0.3081000       4.402000      0.3775000      0.2660000      0.4873000
  1 1 1       9  -12    4 o    3.566000      0.3054000       3.582000 0.3805000       3.551000      0.4779000      0.3126000E-01  0.6109000
  1 1 1       9  -12    5 o    4.222000      0.2865000       4.493000 0.3632000       3.950000      0.4433000      0.5427000      0.5731000
  1 1 1       9  -12    6 o    8.443000      0.2206000       8.334000 0.2955000       8.553000      0.3278000     -0.2188000      0.4413000
  1 1 1       9  -12    7 f    2.063000      0.4623000       1.714000 0.6432000       2.412000      0.6643000     -0.6980000      0.9247000
  1 1 1       9  -12    8 o    6.897000      0.2541000       6.756000 0.3635000       7.038000      0.3551000     -0.2824000      0.5081000
  1 1 1       9  -12    9 o    2.364000      0.5372000       2.485000 0.7866000       2.243000      0.7319000      0.2419000       1.074000
  1 1 1       9  -12   10 o    4.647000      0.3598000       4.527000 0.5378000       4.767000      0.4782000     -0.2395000      0.7196000
  1 1 1       9  -12   11 o    7.576000      0.3130000       7.089000 0.4724000       8.063000      0.4107000     -0.9743000      0.6260000
  1 1 1       9  -12   12 o    1.767000      0.5488000       1.831000 0.7859000       1.703000      0.7661000      0.1287000       1.098000
  1 1 1       9  -12   13 o    6.509000      0.2633000       6.765000 0.3666000       6.253000      0.3781000      0.5115000      0.5266000
  1 1 1       9  -12   14 o    3.788000      0.3510000       3.975000 0.4248000       3.602000      0.5589000      0.3734000      0.7020000
  1 1 1       9  -12   15 o    6.741000      0.2113000       7.120000 0.3002000       6.362000      0.2973000      0.7576000      0.4225000
  1 1 1       9  -12   16 o    7.348000      0.2035000       7.554000 0.2923000       7.142000      0.2834000      0.4123000      0.4071000
  1 1 1       9  -12   17 o    10.29000      0.2318000       10.57000 0.3487000       10.02000      0.3055000      0.5458000      0.4636000
  1 1 1       9  -12   18 o    3.623000      0.3102000       3.601000 0.5008000       3.645000      0.3661000     -0.4405000E-01  0.6203000
  1 1 1       9  -12   19 o    1.539000      0.4157000       1.217000 0.5677000       1.860000      0.6075000     -0.6427000      0.8315000
  1 1 1       9  -12   20 o    3.844000      0.3261000       4.247000 0.4719000       3.442000      0.4502000      0.8046000      0.6522000
  1 1 1       9  -12   21 o    7.660000      0.2469000       7.964000 0.3955000       7.356000      0.2957000      0.6082000      0.4938000
  1 1 1       9  -12   22 o    3.627000      0.4272000       3.188000 0.7495000       4.066000      0.4100000     -0.8781000      0.8543000
  1 1 1       9  -12   23 o    5.539000      0.2629000       5.571000 0.4300000       5.508000      0.3027000      0.6207000E-01  0.5259000
  1 1 1       9  -12   24 o    2.624000      0.4609000       2.317000 0.7538000       2.930000      0.5305000     -0.6122000      0.9218000
  1 1 1       9  -12   25 o    5.580000      0.2506000       5.592000 0.3889000       5.569000      0.3162000      0.2362000E-01  0.5013000
  1 1 1       9  -12   26 o    3.693000      0.3511000       3.419000 0.5637000       3.967000      0.4188000     -0.5486000      0.7022000
  1 1 1       9  -12   27 o    5.025000      0.2670000       5.272000 0.3911000       4.778000      0.3635000      0.4943000      0.5339000
  1 1 1       9  -12   28 o    4.229000      0.3337000       4.561000 0.4664000       3.897000      0.4775000      0.6641000      0.6675000
  1 1 1       9  -12   29 o    4.940000      0.3059000       4.822000 0.4575000       5.057000      0.4062000     -0.2354000      0.6118000
  1 1 1       9  -12   30 o    2.511000      0.5222000       2.186000 0.7583000       2.836000      0.7182000     -0.6501000       1.044000
  1 1 1       9  -12   31 o    2.311000      0.5443000       2.192000 0.7775000       2.430000      0.7619000     -0.2389000       1.089000
  1 1 1       9  -12   32 o    2.626000      0.5444000       2.602000 0.7772000       2.650000      0.7624000     -0.4796000E-01   1.089000
  1 1 1       9  -11    0 o    5.822000      0.1858000       5.886000 0.2521000       5.758000      0.2730000      0.1285000      0.3716000
  1 1 1       9  -11    1 o    7.483000      0.1709000       7.548000 0.2365000       7.418000      0.2468000      0.1308000      0.3418000
  1 1 1       9  -11    2 o    3.702000      0.2461000       3.993000 0.3062000       3.411000      0.3855000      0.5816000      0.4923000
  1 1 1       9  -11    3 o    6.256000      0.1914000       6.620000 0.2488000       5.892000      0.2909000      0.7281000      0.3828000
  1 1 1       9  -11    4 o    4.932000      0.2092000       5.095000 0.2709000       4.769000      0.3188000      0.3260000      0.4183000
  1 1 1       9  -11    5 o    4.208000      0.2612000       3.991000 0.3559000       4.426000      0.3825000     -0.4348000      0.5224000
  1 1 1       9  -11    6 o    4.215000      0.2767000       4.250000 0.3747000       4.181000      0.4071000      0.6898000E-01  0.5533000
  1 1 1       9  -11    7 o    6.436000      0.2229000       6.541000 0.3040000       6.331000      0.3261000      0.2102000      0.4458000
  1 1 1       9  -11    8 o    4.283000      0.2978000       4.403000 0.4251000       4.163000      0.4171000      0.2399000      0.5956000
  1 1 1       9  -11    9 o    7.822000      0.2592000       7.534000 0.3796000       8.110000      0.3532000     -0.5765000      0.5185000
  1 1 1       9  -11   10 o    5.995000      0.2760000       5.793000 0.3928000       6.198000      0.3878000     -0.4043000      0.5520000
  1 1 1       9  -11   11 o    4.088000      0.5665000       4.130000 0.9708000       4.046000      0.5841000      0.8392000E-01   1.133000
  1 1 1       9  -11   12 o    5.263000      0.3660000       5.277000 0.4876000       5.248000      0.5459000      0.2847000E-01  0.7320000
  1 1 1       9  -11   13 o    5.789000      0.2640000       6.085000 0.3544000       5.494000      0.3913000      0.5915000      0.5279000
  1 1 1       9  -11   14 o    15.55000      0.2860000       15.15000 0.4399000       15.95000      0.3657000     -0.8005000      0.5720000
  1 1 1       9  -11   15 o    8.536000      0.2035000       8.725000 0.2987000       8.346000      0.2765000      0.3792000      0.4070000
  1 1 1       9  -11   16 f    6.320000      0.2044000       6.907000 0.2991000       5.733000      0.2787000       1.174000      0.4088000
  1 1 1       9  -11   17 o    6.852000      0.2050000       6.914000 0.3142000       6.791000      0.2633000      0.1231000      0.4099000
  1 1 1       9  -11   18 o    8.047000      0.2213000       7.911000 0.3320000       8.183000      0.2926000     -0.2717000      0.4425000
  1 1 1       9  -11   19 o    14.28000      0.2756000       14.11000 0.4277000       14.45000      0.3477000     -0.3401000      0.5512000
  1 1 1       9  -11   20 o    6.308000      0.2487000       6.087000 0.4071000       6.530000      0.2859000     -0.4432000      0.4974000
  1 1 1       9  -11   21 f    2.827000      0.4473000       2.863000 0.7080000       2.791000      0.5469000      0.7119000E-01  0.8947000
  1 1 1       9  -11   22 o    3.930000      0.3328000       3.810000 0.5490000       4.050000      0.3762000     -0.2404000      0.6655000
  1 1 1       9  -11   23 o    3.183000      0.3844000       2.692000 0.6653000       3.673000      0.3853000     -0.9809000      0.7688000
  1 1 1       9  -11   24 o    3.286000      0.3566000       3.334000 0.5564000       3.238000      0.4463000      0.9544000E-01  0.7132000
  1 1 1       9  -11   25 o    2.733000      0.4115000       3.289000 0.5326000       2.177000      0.6274000       1.112000      0.8230000
  1 1 1       9  -11   26 o    4.791000      0.2419000       4.455000 0.3744000       5.126000      0.3065000     -0.6718000      0.4838000
  1 1 1       9  -11   27 o    6.341000      0.2100000       6.351000 0.3087000       6.331000      0.2847000      0.1994000E-01  0.4200000
  1 1 1       9  -11   28 o    1.456000      0.4282000       1.195000 0.5623000       1.717000      0.6459000     -0.5220000      0.8563000
  1 1 1       9  -11   29 o    2.934000      0.4437000       3.296000 0.5622000       2.571000      0.6865000      0.7251000      0.8873000
  1 1 1       9  -11   30 o    3.619000      0.4070000       3.389000 0.6279000       3.849000      0.5179000     -0.4606000      0.8140000
  1 1 1       9  -11   31 o    3.204000      0.4752000       3.258000 0.6750000       3.150000      0.6691000      0.1072000      0.9504000
  1 1 1       9  -11   32 o    3.460000      0.6181000       3.460000 0.6181000                  ?              ?              ?              ?
  1 1 1       9  -10    0 o    9.661000      0.1749000       9.641000 0.2445000       9.680000      0.2502000     -0.3889000E-01  0.3498000
  1 1 1       9  -10    1 o    3.408000      0.2394000       3.399000 0.3277000       3.417000      0.3490000     -0.1873000E-01  0.4788000
  1 1 1       9  -10    2 o    3.061000      0.2631000       2.887000 0.3654000       3.236000      0.3786000     -0.3491000      0.5261000
  1 1 1       9  -10    3 o    7.035000      0.1722000       6.924000 0.2289000       7.145000      0.2573000     -0.2213000      0.3444000
  1 1 1       9  -10    4 o    1.937000      0.5376000       1.937000 0.5376000                  ?              ?              ?              ?
  1 1 1       9  -10    5 o    5.609000      0.1906000       5.459000 0.2511000       5.760000      0.2869000     -0.3006000      0.3813000
  1 1 1       9  -10    6 o    7.378000      0.2897000                  ?       ?   7.378000      0.2897000                  ?              ?
  1 1 1       9  -10    7 o    6.198000      0.2109000       6.194000 0.2857000       6.203000      0.3103000     -0.8508000E-02  0.4218000
  1 1 1       9  -10    8 o    2.300000      0.3854000       3.113000 0.4848000       1.487000      0.5992000       1.625000      0.7708000
  1 1 1       9  -10    9 o    1.482000      0.4479000       1.621000 0.6661000       1.342000      0.5989000      0.2797000      0.8958000
  1 1 1       9  -10   10 o    3.446000      0.4050000       3.052000 0.6592000       3.839000      0.4705000     -0.7873000      0.8099000
  1 1 1       9  -10   11 o    2.718000      0.5942000       3.165000 0.9029000       2.272000      0.7726000      0.8926000       1.188000
  1 1 1       9  -10   12 o    4.310000      0.4048000       3.714000 0.6052000       4.906000      0.5378000      -1.192000      0.8097000
  1 1 1       9  -10   13 o    7.209000      0.2192000       7.100000 0.3159000       7.317000      0.3038000     -0.2165000      0.4383000
  1 1 1       9  -10   14 o    13.22000      0.2833000       13.61000 0.4013000       12.83000      0.4000000      0.7793000      0.5667000
  1 1 1       9  -10   15 o    7.444000      0.1926000       7.670000 0.2782000       7.218000      0.2664000      0.4515000      0.3852000
  1 1 1       9  -10   16 o    4.750000      0.2175000       4.542000 0.3333000       4.958000      0.2797000     -0.4165000      0.4351000
  1 1 1       9  -10   17 o    3.012000      0.3119000       3.423000 0.4312000       2.601000      0.4507000      0.8224000      0.6237000
  1 1 1       9  -10   18 o    2.557000      0.3889000       3.157000 0.5470000       1.958000      0.5531000       1.199000      0.7779000
  1 1 1       9  -10   19 o    6.929000      0.2181000       7.223000 0.3433000       6.636000      0.2692000      0.5871000      0.4363000
  1 1 1       9  -10   20 o    1.818000      0.4681000       2.010000 0.7191000       1.626000      0.5995000      0.3837000      0.9362000
  1 1 1       9  -10   21 o    4.867000      0.2692000       4.554000 0.4518000       5.180000      0.2928000     -0.6263000      0.5384000
  1 1 1       9  -10   22 o    6.822000      0.1902000       6.985000 0.2928000       6.658000      0.2430000      0.3270000      0.3805000
  1 1 1       9  -10   23 o    3.366000      0.3509000       2.757000 0.6181000       3.976000      0.3325000      -1.219000      0.7018000
  1 1 1       9  -10   24 o    2.956000      0.3421000       3.090000 0.4859000       2.821000      0.4816000      0.2688000      0.6841000
  1 1 1       9  -10   25 o    6.725000      0.1829000       6.759000 0.2716000       6.691000      0.2451000      0.6847000E-01  0.3658000
  1 1 1       9  -10   26 o    5.483000      0.2114000       5.929000 0.2974000       5.037000      0.3006000      0.8920000      0.4229000
  1 1 1       9  -10   27 o    2.613000      0.3972000       2.772000 0.5447000       2.454000      0.5783000      0.3186000      0.7944000
  1 1 1       9  -10   28 o    6.325000      0.2085000       6.174000 0.3023000       6.477000      0.2873000     -0.3031000      0.4170000
  1 1 1       9  -10   29 o    1.774000      0.4644000       1.441000 0.6201000       2.106000      0.6913000     -0.6653000      0.9287000
  1 1 1       9  -10   30 o    2.058000      0.4853000       1.640000 0.6720000       2.476000      0.7004000     -0.8356000      0.9706000
  1 1 1       9  -10   31 o    5.390000      0.3263000       6.069000 0.4715000       4.711000      0.4510000       1.357000      0.6525000
  1 1 1       9  -10   32 o    3.226000      0.4082000       3.810000 0.5400000       2.642000      0.6122000       1.168000      0.8163000
  1 1 1       9  -10   33 o    2.414000      0.5465000       2.334000 0.7722000       2.494000      0.7734000     -0.1596000       1.093000
  1 1 1       9   -9    0 o    8.046000      0.1653000       7.957000 0.2314000       8.136000      0.2361000     -0.1791000      0.3306000
  1 1 1       9   -9    1 o    2.238000      0.3238000       2.544000 0.3943000       1.932000      0.5138000      0.6117000      0.6477000
  1 1 1       9   -9    2 o    1.189000      0.3469000      0.9883000 0.4460000       1.389000      0.5314000     -0.4010000      0.6938000
  1 1 1       9   -9    3 o    1.679000      0.3189000       2.236000 0.4137000       1.123000      0.4854000       1.113000      0.6377000
  1 1 1       9   -9    4 o    10.82000      0.2520000       10.82000 0.2520000                  ?              ?              ?              ?
  1 1 1       9   -9    5 o    9.829000      0.1759000       9.671000 0.2405000       9.986000      0.2569000     -0.3151000      0.3519000
  1 1 1       9   -9    6 o    7.794000      0.2691000                  ?       ?   7.794000      0.2691000                  ?              ?
  1 1 1       9   -9    7 o    5.184000      0.2056000       5.268000 0.2753000       5.099000      0.3055000      0.1692000      0.4113000
  1 1 1       9   -9    8 o    1.831000      0.3764000       2.370000 0.5116000       1.293000      0.5522000       1.076000      0.7528000
  1 1 1       9   -9    9 o    3.493000      0.3417000       3.100000 0.5443000       3.885000      0.4134000     -0.7847000      0.6835000
  1 1 1       9   -9   10 f    2.198000      0.4819000       2.525000 0.6705000       1.871000      0.6925000      0.6540000      0.9639000
  1 1 1       9   -9   11 o    2.919000      0.4863000       2.573000 0.7821000       3.265000      0.5783000     -0.6923000      0.9727000
  1 1 1       9   -9   12 o    10.12000      0.2393000       9.978000 0.3266000       10.26000      0.3498000     -0.2851000      0.4786000
  1 1 1       9   -9   13 o    3.900000      0.2877000       4.107000 0.3739000       3.694000      0.4374000      0.4126000      0.5755000
  1 1 1       9   -9   14 o    3.130000      0.3105000       2.938000 0.4656000       3.323000      0.4110000     -0.3850000      0.6211000
  1 1 1       9   -9   15 o    6.831000      0.1876000       6.659000 0.2722000       7.002000      0.2581000     -0.3430000      0.3751000
  1 1 1       9   -9   16 o    3.046000      0.2711000       2.958000 0.4246000       3.133000      0.3373000     -0.1748000      0.5423000
  1 1 1       9   -9   17 o    7.589000      0.2021000       7.740000 0.3044000       7.438000      0.2660000      0.3026000      0.4042000
  1 1 1       9   -9   18 o    6.678000      0.2104000       6.842000 0.3247000       6.513000      0.2677000      0.3291000      0.4208000
  1 1 1       9   -9   19 o    2.807000      0.4135000       2.159000 0.7313000       3.455000      0.3863000      -1.296000      0.8271000
  1 1 1       9   -9   20 o    6.474000      0.2209000       6.326000 0.3602000       6.622000      0.2558000     -0.2959000      0.4418000
  1 1 1       9   -9   21 o    7.743000      0.1828000       7.507000 0.2794000       7.979000      0.2357000     -0.4715000      0.3655000
  1 1 1       9   -9   22 o    7.791000      0.1798000       7.911000 0.2745000       7.671000      0.2322000      0.2398000      0.3595000
  1 1 1       9   -9   23 o    4.880000      0.2000000       5.022000 0.2992000       4.738000      0.2654000      0.2837000      0.4000000
  1 1 1       9   -9   24 o    6.589000      0.1716000       6.401000 0.2572000       6.778000      0.2274000     -0.3771000      0.3433000
  1 1 1       9   -9   25 o    1.181000      0.3603000       1.328000 0.5407000       1.034000      0.4763000      0.2947000      0.7206000
  1 1 1       9   -9   26 f    7.821000      0.1800000       7.667000 0.2619000       7.976000      0.2471000     -0.3085000      0.3600000
  1 1 1       9   -9   27 o    3.878000      0.2627000       3.804000 0.3714000       3.951000      0.3715000     -0.1471000      0.5253000
  1 1 1       9   -9   28 o    1.894000      0.4463000       1.776000 0.6238000       2.013000      0.6384000     -0.2361000      0.8926000
  1 1 1       9   -9   29 o    3.990000      0.2958000       4.385000 0.3674000       3.596000      0.4636000      0.7892000      0.5915000
  1 1 1       9   -9   30 o    3.212000      0.4100000       3.688000 0.4696000       2.737000      0.6721000      0.9514000      0.8199000
  1 1 1       9   -9   31 o    5.583000      0.3023000       5.573000 0.4673000       5.593000      0.3835000     -0.1949000E-01  0.6046000
  1 1 1       9   -9   32 o    3.943000      0.3872000       4.240000 0.5124000       3.645000      0.5805000      0.5949000      0.7743000
  1 1 1       9   -9   33 o    1.788000      0.5126000       1.761000 0.7201000       1.816000      0.7298000     -0.5444000E-01   1.025000
  1 1 1       9   -9   34 o    1.884000      0.5692000       1.992000 0.8630000       1.777000      0.7424000      0.2152000       1.138000
  1 1 1       9   -8    0 o    3.749000      0.2129000       3.721000 0.3030000       3.776000      0.2992000     -0.5452000E-01  0.4258000
  1 1 1       9   -8    1 o    7.208000      0.1599000       7.258000 0.2227000       7.158000      0.2294000      0.1002000      0.3197000
  1 1 1       9   -8    2 o    18.90000      0.2663000       18.90000 0.3758000       18.90000      0.3775000      0.4539000E-03  0.5326000
  1 1 1       9   -8    3 f    6.039000      0.1577000       6.047000 0.2169000       6.031000      0.2290000      0.1597000E-01  0.3154000
  1 1 1       9   -8    4 o    17.21000      0.2453000       17.50000 0.3493000       16.92000      0.3444000      0.5740000      0.4906000
  1 1 1       9   -8    5 o    1.773000      0.3620000       1.515000 0.5061000       2.031000      0.5177000     -0.5157000      0.7240000
  1 1 1       9   -8    6 o    8.841000      0.2331000       9.293000 0.2327000       8.388000      0.4041000      0.9047000      0.4663000
  1 1 1       9   -8    7 o    3.509000      0.2489000       3.392000 0.3380000       3.627000      0.3655000     -0.2356000      0.4979000
  1 1 1       9   -8    8 o    7.556000      0.1879000       7.575000 0.2527000       7.538000      0.2783000      0.3701000E-01  0.3759000
  1 1 1       9   -8    9 o    4.898000      0.2204000       4.851000 0.3156000       4.944000      0.3076000     -0.9303000E-01  0.4407000
  1 1 1       9   -8   10 o    12.43000      0.2770000       12.33000 0.3962000       12.52000      0.3872000     -0.1975000      0.5540000
  1 1 1       9   -8   11 o    2.956000      0.4494000       2.600000 0.7560000       3.311000      0.4860000     -0.7119000      0.8987000
  1 1 1       9   -8   12 o    5.274000      0.4863000       5.348000 0.8257000       5.200000      0.5139000      0.1481000      0.9725000
  1 1 1       9   -8   13 o    4.431000      0.6328000       4.524000 1.105000       4.338000      0.6174000      0.1859000       1.266000
  1 1 1       9   -8   16 o    4.187000      0.8444000       3.069000 1.263000       5.305000       1.121000      -2.236000       1.689000
  1 1 1       9   -8   17 o    8.042000      0.9386000       6.471000 1.758000       9.614000      0.6577000      -3.143000       1.877000
  1 1 1       9   -8   18 o    2.523000      0.7620000       2.864000 1.239000       2.183000      0.8877000      0.6810000       1.524000
  1 1 1       9   -8   19 o    7.888000      0.4414000       8.093000 0.7659000       7.684000      0.4392000      0.4099000      0.8829000
  1 1 1       9   -8   20 o    7.602000      0.2678000       7.285000 0.4255000       7.920000      0.3254000     -0.6350000      0.5356000
  1 1 1       9   -8   21 o    13.93000      0.2937000       13.74000 0.4221000       14.11000      0.4086000     -0.3666000      0.5875000
  1 1 1       9   -8   22 o    3.577000      0.2876000       3.578000 0.3970000       3.576000      0.4164000      0.2198000E-02  0.5753000
  1 1 1       9   -8   23 o    4.610000      0.2147000       4.839000 0.3005000       4.381000      0.3066000      0.4581000      0.4293000
  1 1 1       9   -8   24 o    5.621000      0.1677000       5.569000 0.2439000       5.673000      0.2301000     -0.1032000      0.3353000
  1 1 1       9   -8   25 o    4.047000      0.2026000       3.965000 0.2847000       4.128000      0.2882000     -0.1634000      0.4052000
  1 1 1       9   -8   26 o    8.704000      0.1741000       8.536000 0.2503000       8.872000      0.2420000     -0.3360000      0.3482000
  1 1 1       9   -8   27 o    3.007000      0.3146000       2.763000 0.4599000       3.250000      0.4294000     -0.4867000      0.6292000
  1 1 1       9   -8   28 o    6.199000      0.1978000       6.198000 0.2671000       6.199000      0.2918000     -0.1001000E-02  0.3956000
  1 1 1       9   -8   29 o    3.604000      0.2955000       3.459000 0.4115000       3.750000      0.4242000     -0.2910000      0.5910000
  1 1 1       9   -8   30 o    1.906000      0.4749000       1.845000 0.6535000       1.967000      0.6892000     -0.1219000      0.9497000
  1 1 1       9   -8   31 f    5.270000      0.2667000       5.484000 0.3484000       5.056000      0.4039000      0.4276000      0.5334000
  1 1 1       9   -8   32 o    4.741000      0.3177000       4.545000 0.4486000       4.938000      0.4500000     -0.3932000      0.6354000
  1 1 1       9   -8   33 o    3.291000      0.4483000       3.459000 0.5999000       3.122000      0.6664000      0.3362000      0.8966000
  1 1 1       9   -8   34 o    3.989000      0.3880000       3.768000 0.5648000       4.210000      0.5321000     -0.4421000      0.7760000
  1 1 1       9   -7    0 o    17.41000      0.2510000       17.31000 0.3525000       17.51000      0.3574000     -0.2013000      0.5020000
  1 1 1       9   -7    1 o    9.556000      0.2020000       9.722000 0.2399000       9.389000      0.3252000      0.3331000      0.4041000
  1 1 1       9   -7    2 o    9.356000      0.1643000       9.415000 0.2324000       9.296000      0.2323000      0.1191000      0.3286000
  1 1 1       9   -7    3 o    6.307000      0.1499000       6.256000 0.2067000       6.358000      0.2171000     -0.1022000      0.2998000
  1 1 1       9   -7    4 o    12.01000      0.1840000       11.87000 0.2566000       12.15000      0.2639000     -0.2775000      0.3681000
  1 1 1       9   -7    5 o    6.157000      0.1499000       5.963000 0.2049000       6.352000      0.2189000     -0.3896000      0.2998000
  1 1 1       9   -7    6 o    13.08000      0.2738000       12.78000 0.3770000       13.37000      0.3972000     -0.5883000      0.5477000
  1 1 1       9   -7    7 o    7.263000      0.2004000       7.483000 0.2803000       7.043000      0.2865000      0.4395000      0.4008000
  1 1 1       9   -7    8 o    8.933000      0.2132000       8.988000 0.3030000       8.877000      0.3001000      0.1102000      0.4264000
  1 1 1       9   -7    9 f    5.149000      0.1942000       4.865000 0.2751000       5.434000      0.2741000     -0.5689000      0.3883000
  1 1 1       9   -7   10 o    7.108000      0.2157000       7.023000 0.3086000       7.193000      0.3013000     -0.1694000      0.4314000
  1 1 1       9   -7   11 o    4.043000      0.2883000       3.696000 0.4542000       4.390000      0.3551000     -0.6945000      0.5765000
  1 1 1       9   -7   12 o    7.436000      0.2326000       7.242000 0.3254000       7.630000      0.3324000     -0.3884000      0.4651000
  1 1 1       9   -7   13 o    9.058000      0.1829000       9.016000 0.2676000       9.100000      0.2493000     -0.8386000E-01  0.3657000
  1 1 1       9   -7   14 f    3.735000      0.1949000       3.836000 0.2731000       3.633000      0.2781000      0.2028000      0.3897000
  1 1 1       9   -7   15 o    1.486000      0.3343000       1.417000 0.4952000       1.555000      0.4492000     -0.1380000      0.6686000
  1 1 1       9   -7   16 o    3.595000      0.2017000       3.609000 0.3013000       3.582000      0.2684000      0.2671000E-01  0.4035000
  1 1 1       9   -7   17 o    1.503000      0.3733000       1.946000 0.5871000       1.059000      0.4611000      0.8867000      0.7465000
  1 1 1       9   -7   18 o    8.781000      0.1891000       8.616000 0.2935000       8.946000      0.2385000     -0.3303000      0.3782000
  1 1 1       9   -7   19 o    12.65000      0.2058000       12.23000 0.3008000       13.08000      0.2809000     -0.8507000      0.4116000
  1 1 1       9   -7   20 o    9.568000      0.1679000       9.649000 0.2511000       9.488000      0.2230000      0.1608000      0.3358000
  1 1 1       9   -7   21 o    13.10000      0.1978000       12.93000 0.2818000       13.26000      0.2778000     -0.3293000      0.3957000
  1 1 1       9   -7   22 o    7.198000      0.1527000       7.129000 0.2243000       7.267000      0.2072000     -0.1375000      0.3054000
  1 1 1       9   -7   23 o    10.81000      0.1764000       10.89000 0.2553000       10.73000      0.2434000      0.1612000      0.3527000
  1 1 1       9   -7   24 o    5.008000      0.1978000       4.875000 0.2645000       5.140000      0.2943000     -0.2649000      0.3957000
  1 1 1       9   -7   25 o    5.275000      0.2040000       5.300000 0.2777000       5.250000      0.2989000      0.5045000E-01  0.4079000
  1 1 1       9   -7   26 o    2.607000      0.3575000       2.558000 0.4643000       2.657000      0.5438000     -0.9878000E-01  0.7150000
  1 1 1       9   -7   27 o    2.852000      0.3570000       2.709000 0.4718000       2.994000      0.5360000     -0.2856000      0.7140000
  1 1 1       9   -7   28 o    8.138000      0.1866000       8.024000 0.2625000       8.252000      0.2652000     -0.2283000      0.3732000
  1 1 1       9   -7   29 o    5.233000      0.2364000       5.193000 0.3296000       5.272000      0.3390000     -0.7945000E-01  0.4728000
  1 1 1       9   -7   30 o    1.614000      0.4549000       1.400000 0.6041000       1.829000      0.6801000     -0.4291000      0.9097000
  1 1 1       9   -7   31 o    3.671000      0.3663000       3.524000 0.5067000       3.818000      0.5291000     -0.2945000      0.7326000
  1 1 1       9   -7   32 o    5.035000      0.2881000       5.169000 0.3865000       4.902000      0.4273000      0.2669000      0.5761000
  1 1 1       9   -7   33 o    6.784000      0.3343000       6.784000 0.3343000                  ?              ?              ?              ?
  1 1 1       9   -7   34 f    4.336000      0.3485000       4.152000 0.5020000       4.520000      0.4834000     -0.3676000      0.6969000
  1 1 1       9   -6    0 o    18.91000      0.2694000       18.90000 0.3802000       18.93000      0.3817000     -0.2981000E-01  0.5388000
  1 1 1       9   -6    1 o    21.21000      0.2969000       21.24000 0.4194000       21.18000      0.4204000      0.5870000E-01  0.5938000
  1 1 1       9   -6    2 f    6.844000      0.1524000       6.763000 0.2134000       6.924000      0.2176000     -0.1604000      0.3047000
  1 1 1       9   -6    3 f    13.61000      0.2909000       13.15000 0.3961000       14.07000      0.4262000     -0.9173000      0.5818000
  1 1 1       9   -6    4 o    11.48000      0.2564000       11.61000 0.3606000       11.35000      0.3646000      0.2614000      0.5128000
  1 1 1       9   -6    5 o    17.13000      0.3384000       17.13000 0.3384000                  ?              ?              ?              ?
  1 1 1       9   -6    6 o    15.87000      0.2260000       15.80000 0.3164000       15.93000      0.3227000     -0.1242000      0.4519000
  1 1 1       9   -6    7 o    6.540000      0.2172000                  ?       ?   6.540000      0.2172000                  ?              ?
  1 1 1       9   -6    8 o    16.63000      0.2440000       16.59000 0.3356000       16.68000      0.3543000     -0.9003000E-01  0.4881000
  1 1 1       9   -6    9 o    13.99000      0.4358000       14.06000 0.4876000       13.92000      0.7225000      0.1352000      0.8716000
  1 1 1       9   -6   10 o    11.01000      0.5640000       11.01000 0.5640000                  ?              ?              ?              ?
  1 1 1       9   -6   11 o    13.14000      0.5455000       13.56000 0.5034000       12.73000      0.9679000      0.8362000       1.091000
  1 1 1       9   -6   12 o    5.554000      0.4127000       5.326000 0.3869000       5.781000      0.7291000     -0.4545000      0.8254000
  1 1 1       9   -6   13 o    1.589000      0.3855000       1.526000 0.5205000       1.653000      0.5689000     -0.1269000      0.7710000
  1 1 1       9   -6   14 o    4.580000      0.1629000       4.745000 0.2296000       4.416000      0.2312000      0.3281000      0.3259000
  1 1 1       9   -6   15 o    2.241000      0.2694000       2.504000 0.3861000       1.977000      0.3757000      0.5269000      0.5387000
  1 1 1       9   -6   16 o    1.723000      0.3480000       1.781000 0.5365000       1.665000      0.4432000      0.1156000      0.6959000
  1 1 1       9   -6   17 o    4.823000      0.2002000       4.864000 0.3078000       4.782000      0.2560000      0.8238000E-01  0.4003000
  1 1 1       9   -6   18 o    13.44000      0.2150000       13.44000 0.3228000       13.44000      0.2841000      0.4786000E-02  0.4301000
  1 1 1       9   -6   19 o    11.16000      0.2511000       11.19000 0.3657000       11.13000      0.3443000      0.6653000E-01  0.5022000
  1 1 1       9   -6   20 o    11.30000      0.2588000       11.41000 0.3803000       11.18000      0.3511000      0.2336000      0.5176000
  1 1 1       9   -6   21 o    13.04000      0.2859000       13.45000 0.4208000       12.62000      0.3870000      0.8311000      0.5717000
  1 1 1       9   -6   22 o    10.26000      0.2557000       10.17000 0.3752000       10.36000      0.3476000     -0.1861000      0.5114000
  1 1 1       9   -6   23 o    2.326000      0.5011000       2.817000 0.7507000       1.836000      0.6640000      0.9812000       1.002000
  1 1 1       9   -6   24 o    11.33000      0.1846000       11.18000 0.2642000       11.49000      0.2580000     -0.3138000      0.3692000
  1 1 1       9   -6   25 o    9.083000      0.1712000       9.044000 0.2430000       9.123000      0.2412000     -0.7884000E-01  0.3424000
  1 1 1       9   -6   26 o    5.291000      0.1927000       5.395000 0.2678000       5.187000      0.2771000      0.2078000      0.3853000
  1 1 1       9   -6   27 o    5.423000      0.2483000       5.275000 0.3172000       5.571000      0.3822000     -0.2955000      0.4966000
  1 1 1       9   -6   28 o    5.530000      0.2541000       5.093000 0.3385000       5.968000      0.3791000     -0.8753000      0.5082000
  1 1 1       9   -6   29 o    5.527000      0.2822000       5.617000 0.3347000       5.438000      0.4544000      0.1786000      0.5644000
  1 1 1       9   -6   30 o    2.014000      0.4656000       2.148000 0.6197000       1.879000      0.6950000      0.2693000      0.9311000
  1 1 1       9   -6   31 o    3.189000      0.4082000       3.740000 0.4388000       2.637000      0.6885000       1.104000      0.8164000
  1 1 1       9   -6   32 o    5.840000      0.2540000       5.999000 0.3457000       5.681000      0.3722000      0.3182000      0.5079000
  1 1 1       9   -6   33 o    4.798000      0.3525000       4.955000 0.4382000       4.641000      0.5522000      0.3146000      0.7050000
  1 1 1       9   -6   34 o    3.514000      0.4061000       3.420000 0.5779000       3.608000      0.5705000     -0.1874000      0.8121000
  1 1 1       9   -6   35 o    2.714000      0.6917000                  ?       ?   2.714000      0.6917000                  ?              ?
  1 1 1       9   -5    0 o    23.50000      0.3264000       23.48000 0.4607000       23.53000      0.4626000     -0.4992000E-01  0.6528000
  1 1 1       9   -5    1 f    11.41000      0.2655000       11.35000 0.3680000       11.47000      0.3828000     -0.1178000      0.5310000
  1 1 1       9   -5    2 f    11.20000      0.2574000       10.91000 0.3539000       11.49000      0.3740000     -0.5753000      0.5149000
  1 1 1       9   -5    3 o    18.11000      0.2552000       17.96000 0.3577000       18.26000      0.3641000     -0.2938000      0.5105000
  1 1 1       9   -5    4 o    3.121000      0.1929000       2.849000 0.2806000       3.393000      0.2647000     -0.5436000      0.3857000
  1 1 1       9   -5    5 o    10.53000      0.2287000       10.53000 0.2287000                  ?              ?              ?              ?
  1 1 1       9   -5    6 o    9.205000      0.2082000       9.219000 0.2933000       9.191000      0.2956000      0.2723000E-01  0.4164000
  1 1 1       9   -5    7 o    5.741000      0.3249000                  ?       ?   5.741000      0.3249000                  ?              ?
  1 1 1       9   -5    8 o    9.734000      0.2039000       9.748000 0.3286000       9.719000      0.2416000      0.2932000E-01  0.4079000
  1 1 1       9   -5    9 o    8.127000      0.1695000       8.261000 0.2209000       7.993000      0.2573000      0.2683000      0.3391000
  1 1 1       9   -5   10 o    12.36000      0.2218000       12.26000 0.2869000       12.47000      0.3383000     -0.2082000      0.4436000
  1 1 1       9   -5   11 o    6.031000      0.1981000       6.151000 0.2750000       5.911000      0.2851000      0.2399000      0.3962000
  1 1 1       9   -5   12 o    7.473000      0.1739000       7.503000 0.2376000       7.443000      0.2540000      0.6017000E-01  0.3478000
  1 1 1       9   -5   13 o    11.11000      0.2056000       11.17000 0.3253000       11.06000      0.2513000      0.1158000      0.4111000
  1 1 1       9   -5   14 o    5.662000      0.1496000       5.640000 0.2159000       5.684000      0.2072000     -0.4348000E-01  0.2992000
  1 1 1       9   -5   15 o    2.482000      0.2495000       2.334000 0.4086000       2.629000      0.2863000     -0.2956000      0.4989000
  1 1 1       9   -5   16 o    3.216000      0.2229000       3.653000 0.3270000       2.780000      0.3031000      0.8726000      0.4459000
  1 1 1       9   -5   17 o    11.73000      0.2212000       12.02000 0.3635000       11.44000      0.2521000      0.5839000      0.4423000
  1 1 1       9   -5   18 o    9.848000      0.2011000       10.01000 0.3358000       9.681000      0.2213000      0.3336000      0.4022000
  1 1 1       9   -5   19 o    2.095000      0.3002000       1.923000 0.4772000       2.267000      0.3645000     -0.3447000      0.6005000
  1 1 1       9   -5   20 o    4.220000      0.1542000       4.460000 0.2240000       3.980000      0.2119000      0.4798000      0.3084000
  1 1 1       9   -5   21 o    14.99000      0.2151000       15.09000 0.3076000       14.90000      0.3008000      0.1877000      0.4303000
  1 1 1       9   -5   22 f    7.905000      0.1492000       7.857000 0.2134000       7.953000      0.2086000     -0.9680000E-01  0.2984000
  1 1 1       9   -5   23 o    6.989000      0.1497000       6.973000 0.2107000       7.005000      0.2126000     -0.3256000E-01  0.2993000
  1 1 1       9   -5   24 o    6.799000      0.2766000       6.941000 0.4285000       6.658000      0.3498000      0.2830000      0.5532000
  1 1 1       9   -5   25 o    11.40000      0.2882000       11.63000 0.4293000       11.17000      0.3846000      0.4545000      0.5764000
  1 1 1       9   -5   26 o    5.140000      0.1935000       4.996000 0.2649000       5.284000      0.2821000     -0.2883000      0.3870000
  1 1 1       9   -5   27 o    3.423000      0.2897000       3.609000 0.3688000       3.237000      0.4469000      0.3720000      0.5794000
  1 1 1       9   -5   28 o    8.513000      0.1900000       8.514000 0.2677000       8.512000      0.2697000      0.2069000E-02  0.3800000
  1 1 1       9   -5   29 o    5.764000      0.2695000       5.085000 0.3589000       6.443000      0.4020000      -1.357000      0.5389000
  1 1 1       9   -5   30 o    7.722000      0.2558000       7.713000 0.3313000       7.731000      0.3900000     -0.1798000E-01  0.5117000
  1 1 1       9   -5   31 o    6.680000      0.2217000       6.627000 0.3071000       6.732000      0.3199000     -0.1046000      0.4435000
  1 1 1       9   -5   32 o    5.379000      0.2619000       5.323000 0.3672000       5.434000      0.3737000     -0.1113000      0.5239000
  1 1 1       9   -5   33 o    2.726000      0.4689000       3.346000 0.5779000       2.106000      0.7384000       1.239000      0.9377000
  1 1 1       9   -5   34 o    5.921000      0.2628000       5.904000 0.3653000       5.938000      0.3780000     -0.3369000E-01  0.5256000
  1 1 1       9   -5   35 o    1.451000      0.4459000       1.105000 0.5323000       1.797000      0.7154000     -0.6919000      0.8917000
  1 1 1       9   -4    0 o    17.59000      0.3595000       17.38000 0.4995000       17.80000      0.5171000     -0.4231000      0.7189000
  1 1 1       9   -4    1 o    13.06000      0.1996000       13.08000 0.2820000       13.03000      0.2826000      0.5242000E-01  0.3993000
  1 1 1       9   -4    2 o    34.46000      0.4661000       34.52000 0.6602000       34.40000      0.6582000      0.1260000      0.9322000
  1 1 1       9   -4    3 o    33.12000      0.6328000       33.83000 0.9141000       32.42000      0.8753000       1.403000       1.266000
  1 1 1       9   -4    4 o    8.740000      0.2060000       8.622000 0.2909000       8.857000      0.2917000     -0.2357000      0.4119000
  1 1 1       9   -4    5 o    10.17000      0.1599000       10.37000 0.2282000       9.979000      0.2242000      0.3880000      0.3199000
  1 1 1       9   -4    6 o    9.084000      0.1477000       9.021000 0.2057000       9.146000      0.2120000     -0.1254000      0.2954000
  1 1 1       9   -4    7 o    22.94000      0.3125000       22.70000 0.4365000       23.18000      0.4474000     -0.4839000      0.6250000
  1 1 1       9   -4    8 o    15.19000      0.2149000       15.17000 0.3012000       15.21000      0.3067000     -0.4367000E-01  0.4298000
  1 1 1       9   -4    9 o    24.04000      0.3308000       24.30000 0.4678000       23.78000      0.4678000      0.5199000      0.6615000
  1 1 1       9   -4   10 o    7.462000      0.1667000       7.482000 0.2196000       7.442000      0.2510000      0.4022000E-01  0.3335000
  1 1 1       9   -4   11 o    6.721000      0.1673000       6.510000 0.2269000       6.932000      0.2458000     -0.4216000      0.3345000
  1 1 1       9   -4   12 o    10.33000      0.2082000       10.69000 0.3361000       9.971000      0.2459000      0.7195000      0.4164000
  1 1 1       9   -4   13 o    9.869000      0.1642000       9.640000 0.2398000       10.10000      0.2244000     -0.4577000      0.3285000
  1 1 1       9   -4   14 o    7.961000      0.1596000       8.103000 0.2433000       7.819000      0.2065000      0.2844000      0.3191000
  1 1 1       9   -4   15 o    3.914000      0.1684000       3.776000 0.2598000       4.052000      0.2144000     -0.2764000      0.3369000
  1 1 1       9   -4   16 o    7.578000      0.1761000       7.571000 0.2721000       7.585000      0.2237000     -0.1333000E-01  0.3523000
  1 1 1       9   -4   17 o    6.961000      0.1637000       7.178000 0.2620000       6.745000      0.1964000      0.4329000      0.3274000
  1 1 1       9   -4   18 o    3.754000      0.1712000       3.660000 0.2717000       3.849000      0.2083000     -0.1888000      0.3423000
  1 1 1       9   -4   19 o    8.884000      0.1439000       8.697000 0.2051000       9.072000      0.2019000     -0.3749000      0.2878000
  1 1 1       9   -4   20 o    8.848000      0.1472000       8.735000 0.2101000       8.962000      0.2063000     -0.2265000      0.2945000
  1 1 1       9   -4   21 o    8.504000      0.1464000       8.517000 0.2090000       8.490000      0.2049000      0.2746000E-01  0.2927000
  1 1 1       9   -4   22 o    11.19000      0.1754000       11.12000 0.2495000       11.26000      0.2465000     -0.1438000      0.3507000
  1 1 1       9   -4   23 o    3.688000      0.1984000       3.519000 0.2802000       3.857000      0.2811000     -0.3378000      0.3969000
  1 1 1       9   -4   24 f    8.114000      0.1597000       8.087000 0.2233000       8.142000      0.2283000     -0.5551000E-01  0.3194000
  1 1 1       9   -4   25 o    9.664000      0.1744000       9.683000 0.2467000       9.644000      0.2466000      0.3856000E-01  0.3488000
  1 1 1       9   -4   26 o    5.723000      0.3322000       5.588000 0.5246000       5.859000      0.4078000     -0.2707000      0.6645000
  1 1 1       9   -4   27 o    4.981000      0.3741000       5.194000 0.5701000       4.769000      0.4846000      0.4246000      0.7482000
  1 1 1       9   -4   28 o    13.16000      0.2155000       12.95000 0.3061000       13.38000      0.3034000     -0.4238000      0.4309000
  1 1 1       9   -4   29 o    5.527000      0.2207000       5.465000 0.2959000       5.588000      0.3276000     -0.1233000      0.4415000
  1 1 1       9   -4   30 f    3.214000      0.4635000       4.071000 0.4407000       2.356000      0.8155000       1.715000      0.9269000
  1 1 1       9   -4   31 o    6.045000      0.3077000       5.835000 0.3851000       6.256000      0.4800000     -0.4216000      0.6154000
  1 1 1       9   -4   32 o    2.686000      0.4557000       2.133000 0.6950000       3.240000      0.5898000      -1.107000      0.9115000
  1 1 1       9   -4   33 o    2.339000      0.5076000       2.307000 0.7088000       2.372000      0.7268000     -0.6500000E-01   1.015000
  1 1 1       9   -4   34 o    2.731000      0.4851000       2.255000 0.7335000       3.208000      0.6350000     -0.9530000      0.9702000
  1 1 1       9   -4   35 o    1.817000      0.4895000       2.170000 0.7363000       1.465000      0.6453000      0.7056000      0.9790000
  1 1 1       9   -4   36 o    2.326000      0.6183000       2.410000 0.8789000       2.242000      0.8700000      0.1686000       1.237000
  1 1 1       9   -3    0 o    21.57000      0.3016000       21.47000 0.4238000       21.68000      0.4294000     -0.2081000      0.6033000
  1 1 1       9   -3    1 o    16.80000      0.3401000       16.93000 0.4862000       16.68000      0.4759000      0.2437000      0.6803000
  1 1 1       9   -3    2 o    21.17000      0.4151000       22.04000 0.6102000       20.31000      0.5628000       1.730000      0.8301000
  1 1 1       9   -3    3 o    15.25000      0.2203000       15.00000 0.3068000       15.51000      0.3162000     -0.5145000      0.4406000
  1 1 1       9   -3    4 f    12.85000      0.1905000       12.84000 0.2675000       12.86000      0.2713000     -0.2283000E-01  0.3810000
  1 1 1       9   -3    5 o    16.39000      0.2306000       16.44000 0.3262000       16.34000      0.3259000      0.9579000E-01  0.4611000
  1 1 1       9   -3    6 o    13.07000      0.1890000       13.09000 0.2662000       13.05000      0.2683000      0.3761000E-01  0.3779000
  1 1 1       9   -3    7 o    18.30000      0.2520000       18.12000 0.3524000       18.49000      0.3603000     -0.3710000      0.5040000
  1 1 1       9   -3    8 o    13.60000      0.1928000       13.48000 0.2691000       13.71000      0.2763000     -0.2306000      0.3856000
  1 1 1       9   -3    9 o    3.413000      0.1803000       3.170000 0.2655000       3.657000      0.2440000     -0.4866000      0.3606000
  1 1 1       9   -3   10 o    9.431000      0.1746000       9.571000 0.2234000       9.292000      0.2684000      0.2799000      0.3492000
  1 1 1       9   -3   11 o    16.83000      0.2629000       16.54000 0.3353000       17.12000      0.4051000     -0.5815000      0.5259000
  1 1 1       9   -3   12 o    7.906000      0.1425000       8.132000 0.1974000       7.681000      0.2055000      0.4517000      0.2849000
  1 1 1       9   -3   13 o    4.433000      0.1243000       4.492000 0.1838000       4.374000      0.1673000      0.1180000      0.2485000
  1 1 1       9   -3   14 o    8.025000      0.1585000       8.046000 0.2424000       8.004000      0.2044000      0.4252000E-01  0.3170000
  1 1 1       9   -3   15 o    1.616000      0.3274000       1.962000 0.4823000       1.269000      0.4429000      0.6929000      0.6548000
  1 1 1       9   -3   16 o    15.40000      0.2680000       15.84000 0.4426000       14.95000      0.3023000      0.8911000      0.5360000
  1 1 1       9   -3   17 o    8.193000      0.1386000       8.116000 0.2031000       8.269000      0.1886000     -0.1530000      0.2772000
  1 1 1       9   -3   18 o    7.385000      0.1287000       7.380000 0.1894000       7.389000      0.1742000     -0.9356000E-02  0.2573000
  1 1 1       9   -3   19 o    7.158000      0.1280000       6.946000 0.1825000       7.370000      0.1796000     -0.4233000      0.2560000
  1 1 1       9   -3   20 f    7.224000      0.1343000       7.152000 0.1895000       7.295000      0.1903000     -0.1426000      0.2685000
  1 1 1       9   -3   21 o    2.483000      0.2341000       2.571000 0.2971000       2.395000      0.3619000      0.1766000      0.4682000
  1 1 1       9   -3   22 o    12.43000      0.1878000       12.32000 0.2638000       12.55000      0.2672000     -0.2311000      0.3755000
  1 1 1       9   -3   23 o    1.229000      0.3437000       1.285000 0.4829000       1.172000      0.4891000      0.1133000      0.6873000
  1 1 1       9   -3   24 o    8.285000      0.1618000       8.360000 0.2275000       8.210000      0.2300000      0.1504000      0.3235000
  1 1 1       9   -3   25 o    4.940000      0.1871000       4.974000 0.2471000       4.907000      0.2810000      0.6718000E-01  0.3742000
  1 1 1       9   -3   26 o    17.31000      0.2510000       17.45000 0.3586000       17.18000      0.3513000      0.2655000      0.5020000
  1 1 1       9   -3   27 o    3.568000      0.4575000       4.458000 0.6035000       2.677000      0.6878000       1.781000      0.9150000
  1 1 1       9   -3   28 o    8.632000      0.2820000       8.568000 0.4272000       8.696000      0.3682000     -0.1273000      0.5640000
  1 1 1       9   -3   29 o    11.22000      0.2026000       11.34000 0.2911000       11.11000      0.2818000      0.2281000      0.4051000
  1 1 1       9   -3   30 o    2.745000      0.4189000       2.097000 0.6621000       3.394000      0.5134000      -1.297000      0.8378000
  1 1 1       9   -3   31 o    5.588000      0.3190000       5.759000 0.3871000       5.416000      0.5072000      0.3434000      0.6380000
  1 1 1       9   -3   32 o    5.483000      0.3586000       5.752000 0.4115000       5.214000      0.5874000      0.5377000      0.7172000
  1 1 1       9   -3   33 o    3.178000      0.4342000       4.004000 0.4730000       2.352000      0.7283000       1.652000      0.8685000
  1 1 1       9   -3   34 o    2.819000      0.6542000       2.819000 0.6542000                  ?              ?              ?              ?
  1 1 1       9   -3   35 o    2.487000      0.4854000       2.813000 0.6494000       2.161000      0.7216000      0.6519000      0.9708000
  1 1 1       9   -3   36 o    2.787000      0.4871000       2.727000 0.7042000       2.848000      0.6733000     -0.1213000      0.9743000
  1 1 1       9   -2    0 o    8.785000      0.2253000       8.578000 0.3215000       8.992000      0.3157000     -0.4140000      0.4506000
  1 1 1       9   -2    1 o    8.152000      0.2140000       8.570000 0.3117000       7.735000      0.2933000      0.8353000      0.4280000
  1 1 1       9   -2    2 o    21.93000      0.3033000       22.04000 0.4311000       21.82000      0.4267000      0.2248000      0.6066000
  1 1 1       9   -2    3 o    20.11000      0.2792000       19.86000 0.3901000       20.35000      0.3995000     -0.4844000      0.5583000
  1 1 1       9   -2    4 o    11.91000      0.1791000       11.62000 0.2477000       12.19000      0.2587000     -0.5772000      0.3581000
  1 1 1       9   -2    5 o    4.642000      0.1389000       4.723000 0.1905000       4.562000      0.2023000      0.1612000      0.2778000
  1 1 1       9   -2    6 o    22.25000      0.3706000       22.21000 0.4285000       22.29000      0.6048000     -0.7084000E-01  0.7412000
  1 1 1       9   -2    7 o    15.77000      0.2198000       15.86000 0.3115000       15.68000      0.3101000      0.1783000      0.4395000
  1 1 1       9   -2    8 o    7.783000      0.1628000       7.521000 0.1695000       8.045000      0.2780000     -0.5240000      0.3256000
  1 1 1       9   -2    9 o    8.438000      0.1342000       8.474000 0.1868000       8.402000      0.1928000      0.7159000E-01  0.2684000
  1 1 1       9   -2   10 f    5.755000      0.1364000       5.808000 0.1716000       5.702000      0.2120000      0.1065000      0.2727000
  1 1 1       9   -2   11 o    12.47000      0.2081000       12.47000 0.2671000       12.46000      0.3191000      0.5547000E-02  0.4162000
  1 1 1       9   -2   12 o    12.65000      0.1776000       12.88000 0.2523000       12.43000      0.2500000      0.4470000      0.3552000
  1 1 1       9   -2   13 o    1.838000      0.1878000       2.108000 0.2479000       1.568000      0.2823000      0.5398000      0.3757000
  1 1 1       9   -2   14 o    8.246000      0.1552000       8.139000 0.2355000       8.352000      0.2023000     -0.2132000      0.3105000
  1 1 1       9   -2   15 o    6.205000      0.1575000       6.033000 0.2417000       6.377000      0.2019000     -0.3443000      0.3149000
  1 1 1       9   -2   16 o    10.23000      0.1645000       10.39000 0.2470000       10.06000      0.2174000      0.3286000      0.3290000
  1 1 1       9   -2   17 o    4.986000      0.1171000       4.889000 0.1705000       5.083000      0.1607000     -0.1943000      0.2343000
  1 1 1       9   -2   18 f    10.03000      0.1506000       10.07000 0.2157000       9.999000      0.2101000      0.7092000E-01  0.3011000
  1 1 1       9   -2   19 o    1.204000      0.2826000       1.100000 0.3793000       1.308000      0.4191000     -0.2082000      0.5652000
  1 1 1       9   -2   20 o    8.835000      0.1462000       8.713000 0.2083000       8.957000      0.2052000     -0.2445000      0.2924000
  1 1 1       9   -2   21 o    5.576000      0.1420000       5.527000 0.1960000       5.625000      0.2056000     -0.9829000E-01  0.2840000
  1 1 1       9   -2   22 o    4.131000      0.1727000       4.244000 0.2262000       4.018000      0.2610000      0.2264000      0.3454000
  1 1 1       9   -2   23 o    6.209000      0.1525000       6.241000 0.2119000       6.178000      0.2193000      0.6380000E-01  0.3049000
  1 1 1       9   -2   24 o    11.09000      0.1801000       11.09000 0.2540000       11.10000      0.2554000     -0.7282000E-02  0.3602000
  1 1 1       9   -2   25 o    2.364000      0.3360000       1.916000 0.5102000       2.811000      0.4373000     -0.8948000      0.6720000
  1 1 1       9   -2   26 o    5.712000      0.1879000       5.899000 0.2533000       5.526000      0.2776000      0.3732000      0.3758000
  1 1 1       9   -2   27 o    1.873000      0.3771000       2.419000 0.5031000       1.327000      0.5620000       1.092000      0.7543000
  1 1 1       9   -2   28 o    3.982000      0.4062000       3.903000 0.6401000       4.061000      0.5002000     -0.1582000      0.8124000
  1 1 1       9   -2   29 o    10.24000      0.2885000       10.22000 0.4252000       10.26000      0.3900000     -0.4047000E-01  0.5770000
  1 1 1       9   -2   30 o    2.091000      0.4618000       2.440000 0.6411000       1.743000      0.6650000      0.6970000      0.9237000
  1 1 1       9   -2   31 o    4.778000      0.2925000       5.030000 0.4530000       4.526000      0.3702000      0.5040000      0.5851000
  1 1 1       9   -2   32 o    4.833000      0.4348000       5.172000 0.4715000       4.494000      0.7306000      0.6776000      0.8695000
  1 1 1       9   -2   33 o    4.431000      0.3095000       4.348000 0.4460000       4.515000      0.4292000     -0.1662000      0.6190000
  1 1 1       9   -2   34 o    1.635000      0.6768000       1.635000 0.6768000                  ?              ?              ?              ?
  1 1 1       9   -2   35 f    1.458000      0.4478000       1.199000 0.5658000       1.717000      0.6943000     -0.5185000      0.8956000
  1 1 1       9   -2   36 o    3.669000      0.5255000                  ?       ?   3.669000      0.5255000                  ?              ?
  1 1 1       9   -1    0 o    16.43000      0.2358000       16.77000 0.3401000       16.08000      0.3266000      0.6850000      0.4715000
  1 1 1       9   -1    1 o    17.48000      0.2472000       17.66000 0.3534000       17.30000      0.3459000      0.3603000      0.4945000
  1 1 1       9   -1    2 o    5.000000      0.1706000       5.165000 0.2003000       4.835000      0.2764000      0.3304000      0.3413000
  1 1 1       9   -1    3 o    14.39000      0.2070000       14.58000 0.2970000       14.19000      0.2884000      0.3895000      0.4140000
  1 1 1       9   -1    4 o    8.700000      0.1463000       8.754000 0.2069000       8.647000      0.2068000      0.1071000      0.2926000
  1 1 1       9   -1    5 o    18.09000      0.2510000       18.14000 0.3557000       18.05000      0.3543000      0.9218000E-01  0.5020000
  1 1 1       9   -1    7 o    13.21000      0.1880000       13.18000 0.2649000       13.25000      0.2668000     -0.6869000E-01  0.3760000
  1 1 1       9   -1    9 o    11.90000      0.1684000       12.12000 0.2402000       11.69000      0.2361000      0.4301000      0.3368000
  1 1 1       9   -1   10 o    13.57000      0.1926000       13.74000 0.2707000       13.39000      0.2741000      0.3463000      0.3852000
  1 1 1       9   -1   11 o    2.696000      0.1586000       2.544000 0.2032000       2.849000      0.2436000     -0.3048000      0.3173000
  1 1 1       9   -1   12 o    18.37000      0.2486000       18.22000 0.3476000       18.51000      0.3555000     -0.2947000      0.4972000
  1 1 1       9   -1   13 o    4.704000      0.1111000       4.860000 0.1819000       4.549000      0.1276000      0.3108000      0.2222000
  1 1 1       9   -1   14 o    6.554000      0.1384000       6.528000 0.2218000       6.580000      0.1657000     -0.5211000E-01  0.2768000
  1 1 1       9   -1   15 o    7.924000      0.1636000       7.522000 0.2495000       8.325000      0.2118000     -0.8026000      0.3273000
  1 1 1       9   -1   16 o    5.098000      0.1117000       5.071000 0.1678000       5.125000      0.1476000     -0.5369000E-01  0.2235000
  1 1 1       9   -1   17 o    5.264000      0.1055000       5.239000 0.1491000       5.288000      0.1492000     -0.4917000E-01  0.2109000
  1 1 1       9   -1   18 o    11.28000      0.1638000       11.34000 0.2331000       11.22000      0.2301000      0.1149000      0.3275000
  1 1 1       9   -1   19 o    7.147000      0.1295000       7.231000 0.1810000       7.062000      0.1852000      0.1691000      0.2590000
  1 1 1       9   -1   20 o    3.282000      0.1606000       3.305000 0.2143000       3.259000      0.2393000      0.4585000E-01  0.3212000
  1 1 1       9   -1   21 o    2.677000      0.2163000       2.620000 0.2930000       2.733000      0.3184000     -0.1135000      0.4327000
  1 1 1       9   -1   22 o    3.436000      0.1981000       3.473000 0.2645000       3.399000      0.2950000      0.7381000E-01  0.3962000
  1 1 1       9   -1   23 o    11.45000      0.1792000       11.39000 0.2519000       11.52000      0.2549000     -0.1221000      0.3584000
  1 1 1       9   -1   24 o    3.535000      0.2141000       3.502000 0.2909000       3.569000      0.3141000     -0.6727000E-01  0.4281000
  1 1 1       9   -1   25 o    10.81000      0.1810000       10.89000 0.2579000       10.73000      0.2540000      0.1604000      0.3620000
  1 1 1       9   -1   26 o    5.005000      0.1954000       4.905000 0.2666000       5.104000      0.2858000     -0.1984000      0.3908000
  1 1 1       9   -1   27 o    1.967000      0.4143000       1.923000 0.5819000       2.011000      0.5897000     -0.8802000E-01  0.8285000
  1 1 1       9   -1   28 o    2.711000      0.5102000       2.452000 0.7922000       2.971000      0.6430000     -0.5196000       1.020000
  1 1 1       9   -1   29 o    6.061000      0.2926000       6.262000 0.4387000       5.859000      0.3872000      0.4032000      0.5851000
  1 1 1       9   -1   30 o    4.766000      0.2622000       5.029000 0.3593000       4.503000      0.3820000      0.5262000      0.5244000
  1 1 1       9   -1   31 o    4.773000      0.2829000       5.135000 0.3652000       4.411000      0.4322000      0.7243000      0.5658000
  1 1 1       9   -1   32 o    6.756000      0.3267000       6.905000 0.4075000       6.606000      0.5108000      0.2994000      0.6534000
  1 1 1       9   -1   33 o    2.429000      0.5729000       1.646000 0.6778000       3.212000      0.9239000      -1.567000       1.146000
  1 1 1       9   -1   34 o    4.188000      0.3252000       4.417000 0.4388000       3.959000      0.4800000      0.4584000      0.6504000
  1 1 1       9   -1   35 o    1.705000      0.4701000       1.425000 0.6285000       1.986000      0.6992000     -0.5607000      0.9401000
  1 1 1       9   -1   36 o    2.557000      0.4663000       1.998000 0.7075000       3.116000      0.6077000      -1.118000      0.9326000
  1 1 1       9    0    0 o    10.43000      0.1667000       10.29000 0.2336000       10.56000      0.2378000     -0.2680000      0.3334000
  1 1 1       9    0    1 o    13.29000      0.1957000       13.31000 0.2768000       13.27000      0.2769000      0.3440000E-01  0.3915000
  1 1 1       9    0    2 o    14.68000      0.2107000       14.60000 0.2972000       14.76000      0.2987000     -0.1653000      0.4214000
  1 1 1       9    0    3 o    13.92000      0.2002000       13.68000 0.2794000       14.16000      0.2868000     -0.4867000      0.4004000
  1 1 1       9    0    4 o    15.39000      0.2169000       15.34000 0.3065000       15.43000      0.3069000     -0.8589000E-01  0.4338000
  1 1 1       9    0    5 o    19.37000      0.2666000       19.43000 0.3787000       19.31000      0.3753000      0.1233000      0.5332000
  1 1 1       9    0    6 o    18.17000      0.3520000                  ?       ?   18.17000      0.3520000                  ?              ?
  1 1 1       9    0    7 o    21.36000      0.2908000       21.48000 0.4138000       21.24000      0.4086000      0.2392000      0.5815000
  1 1 1       9    0    8 o    9.709000      0.1740000       9.539000 0.1975000       9.878000      0.2865000     -0.3388000      0.3480000
  1 1 1       9    0    9 o    9.574000      0.1395000       9.530000 0.1954000       9.618000      0.1992000     -0.8812000E-01  0.2790000
  1 1 1       9    0   10 o    10.20000      0.2043000       10.21000 0.2856000       10.19000      0.2923000      0.1489000E-01  0.4086000
  1 1 1       9    0   11 f    11.10000      0.2256000       11.42000 0.3569000       10.77000      0.2762000      0.6516000      0.4513000
  1 1 1       9    0   12 o    13.07000      0.2500000       13.17000 0.3560000       12.96000      0.3511000      0.2103000      0.5001000
  1 1 1       9    0   13 o    4.670000      0.1230000       4.601000 0.1792000       4.739000      0.1685000     -0.1385000      0.2460000
  1 1 1       9    0   14 o    5.151000      0.1359000       5.230000 0.1944000       5.073000      0.1901000      0.1571000      0.2719000
  1 1 1       9    0   15 o    2.680000      0.1753000       2.630000 0.2680000       2.730000      0.2260000     -0.9944000E-01  0.3505000
  1 1 1       9    0   16 o    8.417000      0.1839000       7.971000 0.2531000       8.864000      0.2668000     -0.8930000      0.3678000
  1 1 1       9    0   17 o    10.16000      0.1845000       9.983000 0.3026000       10.34000      0.2113000     -0.3545000      0.3690000
  1 1 1       9    0   18 o    12.86000      0.1819000       12.89000 0.2579000       12.83000      0.2567000      0.5987000E-01  0.3639000
  1 1 1       9    0   19 o    13.01000      0.1859000       13.00000 0.2630000       13.02000      0.2630000     -0.1860000E-01  0.3719000
  1 1 1       9    0   20 o    3.269000      0.1673000       3.048000 0.2394000       3.491000      0.2338000     -0.4432000      0.3347000
  1 1 1       9    0   21 o    6.847000      0.1393000       6.972000 0.1955000       6.722000      0.1983000      0.2504000      0.2785000
  1 1 1       9    0   22 o    4.774000      0.1548000       4.860000 0.2114000       4.687000      0.2263000      0.1736000      0.3096000
  1 1 1       9    0   23 o    6.446000      0.1522000       6.312000 0.2107000       6.581000      0.2197000     -0.2688000      0.3045000
  1 1 1       9    0   24 o    11.91000      0.1863000       11.91000 0.2625000       11.92000      0.2645000     -0.5305000E-02  0.3726000
  1 1 1       9    0   25 o    16.11000      0.2336000       16.12000 0.3294000       16.09000      0.3313000      0.3251000E-01  0.4672000
  1 1 1       9    0   26 o    7.032000      0.1733000       6.952000 0.2401000       7.112000      0.2501000     -0.1600000      0.3467000
  1 1 1       9    0   27 o    8.614000      0.1775000       8.662000 0.2488000       8.566000      0.2532000      0.9553000E-01  0.3550000
  1 1 1       9    0   28 o    9.600000      0.2162000       9.829000 0.2602000       9.370000      0.3453000      0.4592000      0.4324000
  1 1 1       9    0   29 o    3.569000      0.4044000       3.589000 0.6026000       3.550000      0.5395000      0.3856000E-01  0.8088000
  1 1 1       9    0   30 o    3.501000      0.3300000       3.651000 0.4536000       3.350000      0.4795000      0.3005000      0.6601000
  1 1 1       9    0   31 o    7.625000      0.2103000       7.598000 0.2902000       7.653000      0.3043000     -0.5512000E-01  0.4205000
  1 1 1       9    0   32 o    10.64000      0.3040000       11.21000 0.4022000       10.06000      0.4559000       1.144000      0.6080000
  1 1 1       9    0   33 o    2.765000      0.5806000       2.280000 0.7157000       3.250000      0.9144000     -0.9697000       1.161000
  1 1 1       9    0   34 o    2.859000      0.4682000       3.093000 0.6277000       2.626000      0.6947000      0.4666000      0.9363000
  1 1 1       9    0   35 o    2.856000      0.4444000       3.692000 0.5337000       2.019000      0.7108000       1.673000      0.8889000
  1 1 1       9    0   36 o    1.728000      0.4635000       1.249000 0.5816000       2.207000      0.7218000     -0.9575000      0.9269000
  1 1 1       9    1    0 o    11.68000      0.1790000       11.69000 0.2525000       11.67000      0.2538000      0.2118000E-01  0.3580000
  1 1 1       9    1    1 o    5.966000      0.1329000       5.878000 0.1852000       6.053000      0.1906000     -0.1756000      0.2657000
  1 1 1       9    1    2 o    10.37000      0.1611000       10.45000 0.2283000       10.29000      0.2275000      0.1619000      0.3223000
  1 1 1       9    1    3 o    7.561000      0.1338000       7.714000 0.1907000       7.409000      0.1877000      0.3049000      0.2676000
  1 1 1       9    1    4 o    7.321000      0.1288000       7.348000 0.1817000       7.295000      0.1826000      0.5311000E-01  0.2576000
  1 1 1       9    1    5 o    20.98000      0.2864000       20.81000 0.4021000       21.14000      0.4078000     -0.3255000      0.5727000
  1 1 1       9    1    6 o    30.16000      0.4058000       30.21000 0.5747000       30.10000      0.5731000      0.1115000      0.8116000
  1 1 1       9    1    7 o    40.85000      0.5480000       41.30000 0.7850000       40.40000      0.7648000      0.9026000       1.096000
  1 1 1       9    1    8 o    12.89000      0.1803000       12.75000 0.2526000       13.04000      0.2574000     -0.2897000      0.3607000
  1 1 1       9    1    9 o    2.778000      0.1394000       2.795000 0.2317000       2.761000      0.1551000      0.3450000E-01  0.2788000
  1 1 1       9    1   10 o    13.57000      0.2606000       13.20000 0.3592000       13.94000      0.3776000     -0.7400000      0.5212000
  1 1 1       9    1   17 f    8.340000      0.1549000       8.295000 0.2533000       8.384000      0.1782000     -0.8952000E-01  0.3097000
  1 1 1       9    1   18 o    9.469000      0.1753000       9.647000 0.2898000       9.291000      0.1973000      0.3557000      0.3506000
  1 1 1       9    1   19 o    7.137000      0.1254000       7.250000 0.1760000       7.024000      0.1785000      0.2268000      0.2507000
  1 1 1       9    1   20 o    6.614000      0.1301000       6.425000 0.1794000       6.803000      0.1884000     -0.3782000      0.2602000
  1 1 1       9    1   21 f    2.025000      0.2787000       2.273000 0.3501000       1.778000      0.4338000      0.4954000      0.5574000
  1 1 1       9    1   22 o    9.997000      0.1621000       10.09000 0.2290000       9.905000      0.2295000      0.1830000      0.3242000
  1 1 1       9    1   23 o    10.13000      0.1673000       9.802000 0.2299000       10.45000      0.2431000     -0.6500000      0.3345000
  1 1 1       9    1   24 o    10.87000      0.1764000       10.75000 0.2446000       10.98000      0.2543000     -0.2290000      0.3528000
  1 1 1       9    1   25 o    13.07000      0.2002000       13.17000 0.2820000       12.98000      0.2843000      0.1851000      0.4004000
  1 1 1       9    1   26 o    5.418000      0.1851000       5.490000 0.2530000       5.345000      0.2704000      0.1455000      0.3703000
  1 1 1       9    1   27 o    5.909000      0.1844000       5.849000 0.2582000       5.970000      0.2632000     -0.1208000      0.3687000
  1 1 1       9    1   28 o    6.923000      0.1762000       6.898000 0.2453000       6.947000      0.2531000     -0.4870000E-01  0.3524000
  1 1 1       9    1   29 o    2.229000      0.4880000       2.612000 0.7151000       1.845000      0.6643000      0.7665000      0.9760000
  1 1 1       9    1   30 o    4.164000      0.2783000       3.938000 0.4097000       4.391000      0.3766000     -0.4524000      0.5565000
  1 1 1       9    1   31 o    7.287000      0.2128000       7.299000 0.3016000       7.274000      0.3002000      0.2528000E-01  0.4255000
  1 1 1       9    1   32 o    6.990000      0.3443000       6.909000 0.4641000       7.071000      0.5087000     -0.1621000      0.6886000
  1 1 1       9    1   33 o    3.025000      0.4365000       3.125000 0.6097000       2.925000      0.6248000      0.2001000      0.8730000
  1 1 1       9    1   34 o    3.253000      0.4259000       3.548000 0.5708000       2.959000      0.6322000      0.5885000      0.8518000
  1 1 1       9    1   35 o    6.593000      0.2722000       6.492000 0.3440000       6.694000      0.4220000     -0.2019000      0.5444000
  1 1 1       9    1   36 o    2.341000      0.4850000       1.840000 0.7089000       2.842000      0.6621000      -1.002000      0.9700000
  1 1 1       9    1   37 o    2.769000      0.5540000       3.135000 0.8568000       2.402000      0.7027000      0.7327000       1.108000
  1 1 1       9    2    0 o    34.64000      0.4675000       34.61000 0.6608000       34.66000      0.6614000     -0.5207000E-01  0.9350000
  1 1 1       9    2    1 o    18.04000      0.2525000       18.01000 0.3563000       18.07000      0.3578000     -0.6161000E-01  0.5049000
  1 1 1       9    2    2 o    8.797000      0.1457000       8.736000 0.2052000       8.858000      0.2068000     -0.1226000      0.2913000
  1 1 1       9    2    3 o    29.41000      0.3974000       29.22000 0.5585000       29.61000      0.5655000     -0.3909000      0.7948000
  1 1 1       9    2    4 o    11.42000      0.1682000       11.49000 0.2388000       11.35000      0.2370000      0.1376000      0.3364000
  1 1 1       9    2    5 o    17.29000      0.2387000       17.28000 0.3372000       17.31000      0.3380000     -0.3076000E-01  0.4774000
  1 1 1       9    2    6 f    25.98000      0.3506000       26.06000 0.4972000       25.90000      0.4945000      0.1621000      0.7012000
  1 1 1       9    2    7 o    9.434000      0.1405000       9.445000 0.1978000       9.424000      0.1994000      0.2163000E-01  0.2809000
  1 1 1       9    2    8 o    9.180000      0.1665000       9.665000 0.2778000       8.696000      0.1835000      0.9691000      0.3330000
  1 1 1       9    2    9 o    9.362000      0.1636000       9.274000 0.2658000       9.450000      0.1910000     -0.1759000      0.3273000
  1 1 1       9    2   17 o    8.562000      0.1559000       8.599000 0.2508000       8.525000      0.1852000      0.7408000E-01  0.3118000
  1 1 1       9    2   18 o    6.881000      0.1768000                  ?       ?   6.881000      0.1768000                  ?              ?
  1 1 1       9    2   19 o    4.406000      0.1321000       4.419000 0.1700000       4.394000      0.2022000      0.2537000E-01  0.2642000
  1 1 1       9    2   20 o    3.329000      0.1858000       3.650000 0.2044000       3.009000      0.3105000      0.6409000      0.3717000
  1 1 1       9    2   21 o    3.634000      0.1827000       3.532000 0.2348000       3.737000      0.2798000     -0.2049000      0.3653000
  1 1 1       9    2   22 o    13.90000      0.2048000       13.84000 0.2849000       13.96000      0.2943000     -0.1245000      0.4096000
  1 1 1       9    2   23 o    16.22000      0.2339000       16.36000 0.3292000       16.09000      0.3324000      0.2683000      0.4678000
  1 1 1       9    2   24 o    7.411000      0.2081000       7.466000 0.2190000       7.357000      0.3540000      0.1088000      0.4162000
  1 1 1       9    2   25 o    6.654000      0.2193000       6.248000 0.2287000       7.059000      0.3743000     -0.8108000      0.4387000
  1 1 1       9    2   26 o    17.62000      0.2575000       17.85000 0.3610000       17.38000      0.3674000      0.4687000      0.5150000
  1 1 1       9    2   27 o    4.709000      0.2534000       5.267000 0.2733000       4.151000      0.4269000       1.117000      0.5069000
  1 1 1       9    2   28 o    4.819000      0.4395000       4.819000 0.4395000                  ?              ?              ?              ?
  1 1 1       9    2   29 o    6.773000      0.3775000       6.773000 0.3775000                  ?              ?              ?              ?
  1 1 1       9    2   30 o    2.095000      0.4693000       2.589000 0.5903000       1.600000      0.7297000      0.9883000      0.9385000
  1 1 1       9    2   31 o    2.811000      0.5820000       3.237000 0.7588000       2.386000      0.8828000      0.8505000       1.164000
  1 1 1       9    2   32 o    1.773000      0.5501000       1.776000 0.7710000       1.770000      0.7848000      0.6226000E-02   1.100000
  1 1 1       9    2   33 o    3.609000      0.4441000       3.772000 0.5179000       3.447000      0.7217000      0.3251000      0.8883000
  1 1 1       9    2   34 o    5.523000      0.2997000       5.883000 0.3551000       5.163000      0.4829000      0.7201000      0.5994000
  1 1 1       9    2   35 o    4.866000      0.4039000       4.866000 0.4039000                  ?              ?              ?              ?
  1 1 1       9    2   36 o    2.128000      0.5125000       2.350000 0.7334000       1.906000      0.7161000      0.4436000       1.025000
  1 1 1       9    2   37 o    1.930000      0.5015000       2.640000 0.8190000       1.221000      0.5791000       1.419000       1.003000
  1 1 1       9    3    0 o    11.06000      0.1719000       11.19000 0.2453000       10.93000      0.2408000      0.2583000      0.3438000
  1 1 1       9    3    1 f    15.09000      0.2158000       15.03000 0.3043000       15.15000      0.3062000     -0.1177000      0.4317000
  1 1 1       9    3    2 o    10.60000      0.1636000       10.69000 0.2329000       10.52000      0.2297000      0.1746000      0.3271000
  1 1 1       9    3    3 o    9.743000      0.1526000       9.777000 0.2166000       9.708000      0.2151000      0.6908000E-01  0.3053000
  1 1 1       9    3    4 o    19.23000      0.2642000       19.10000 0.3713000       19.35000      0.3758000     -0.2508000      0.5283000
  1 1 1       9    3    5 o    17.69000      0.2438000       17.62000 0.3435000       17.76000      0.3460000     -0.1341000      0.4876000
  1 1 1       9    3    6 o    16.10000      0.2225000       16.17000 0.3161000       16.03000      0.3133000      0.1448000      0.4451000
  1 1 1       9    3    7 o    26.98000      0.5141000       26.98000 0.5141000                  ?              ?              ?              ?
  1 1 1       9    3    8 o    5.339000      0.1255000       5.392000 0.2031000       5.285000      0.1475000      0.1078000      0.2510000
  1 1 1       9    3    9 o    13.56000      0.2643000                  ?       ?   13.56000      0.2643000                  ?              ?
  1 1 1       9    3   10 o    39.23000      0.6461000       39.60000 1.061000       38.87000      0.7377000      0.7258000       1.292000
  1 1 1       9    3   15 o    14.41000      0.2493000       14.99000 0.4191000       13.83000      0.2703000       1.158000      0.4987000
  1 1 1       9    3   16 o    5.825000      0.1450000                  ?       ?   5.825000      0.1450000                  ?              ?
  1 1 1       9    3   17 o    4.752000      0.1176000       4.799000 0.1797000       4.704000      0.1518000      0.9436000E-01  0.2353000
  1 1 1       9    3   18 o    7.950000      0.1288000       8.074000 0.1804000       7.825000      0.1839000      0.2492000      0.2576000
  1 1 1       9    3   19 f    8.042000      0.1342000       7.899000 0.1841000       8.185000      0.1953000     -0.2857000      0.2684000
  1 1 1       9    3   20 o    6.729000      0.1346000       6.906000 0.1843000       6.552000      0.1964000      0.3542000      0.2693000
  1 1 1       9    3   21 o    2.407000      0.2501000       2.128000 0.3501000       2.686000      0.3572000     -0.5583000      0.5002000
  1 1 1       9    3   22 o    9.795000      0.1641000       10.05000 0.2308000       9.543000      0.2332000      0.5034000      0.3281000
  1 1 1       9    3   23 o    5.414000      0.1657000       5.515000 0.2210000       5.313000      0.2469000      0.2023000      0.3314000
  1 1 1       9    3   24 o    15.19000      0.2231000       15.07000 0.3099000       15.31000      0.3211000     -0.2382000      0.4462000
  1 1 1       9    3   25 o    9.877000      0.1782000       9.560000 0.2397000       10.19000      0.2637000     -0.6347000      0.3564000
  1 1 1       9    3   26 f    12.21000      0.2000000       12.13000 0.2734000       12.29000      0.2919000     -0.1556000      0.4000000
  1 1 1       9    3   27 o    4.163000      0.3171000       3.627000 0.3626000       4.699000      0.5202000      -1.072000      0.6341000
  1 1 1       9    3   28 o    5.970000      0.2882000       5.397000 0.3779000       6.542000      0.4353000      -1.145000      0.5764000
  1 1 1       9    3   29 o    5.837000      0.2352000       6.230000 0.2879000       5.444000      0.3721000      0.7860000      0.4704000
  1 1 1       9    3   30 o    7.271000      0.2197000       7.697000 0.2791000       6.846000      0.3393000      0.8503000      0.4394000
  1 1 1       9    3   31 o    2.556000      0.5965000       2.930000 0.8145000       2.181000      0.8717000      0.7490000       1.193000
  1 1 1       9    3   32 o    3.530000      0.4362000       3.809000 0.4899000       3.250000      0.7219000      0.5590000      0.8725000
  1 1 1       9    3   33 o    8.447000      0.2329000       8.625000 0.2984000       8.269000      0.3577000      0.3558000      0.4658000
  1 1 1       9    3   34 o    3.306000      0.4591000       3.011000 0.6101000       3.601000      0.6863000     -0.5902000      0.9183000
  1 1 1       9    3   35 o    2.856000      0.4348000       3.325000 0.5425000       2.386000      0.6797000      0.9388000      0.8697000
  1 1 1       9    3   36 o    2.532000      0.4846000       3.044000 0.6158000       2.021000      0.7485000       1.024000      0.9692000
  1 1 1       9    3   37 o    3.302000      0.6546000                  ?       ?   3.302000      0.6546000                  ?              ?
  1 1 1       9    4    0 o    2.504000      0.2206000       2.620000 0.2896000       2.388000      0.3329000      0.2313000      0.4413000
  1 1 1       9    4    1 o    10.17000      0.1619000       10.10000 0.2277000       10.25000      0.2302000     -0.1500000      0.3238000
  1 1 1       9    4    2 o    10.08000      0.1589000       9.975000 0.2237000       10.18000      0.2257000     -0.2074000      0.3178000
  1 1 1       9    4    3 o    22.10000      0.3025000       22.36000 0.4327000       21.84000      0.4229000      0.5187000      0.6050000
  1 1 1       9    4    4 o    10.70000      0.1613000       10.73000 0.2284000       10.67000      0.2277000      0.5485000E-01  0.3226000
  1 1 1       9    4    5 o    15.85000      0.2208000       15.76000 0.3107000       15.93000      0.3139000     -0.1710000      0.4417000
  1 1 1       9    4    6 o    19.05000      0.2606000       19.00000 0.3675000       19.11000      0.3697000     -0.1037000      0.5212000
  1 1 1       9    4    7 o    27.61000      0.5258000       27.61000 0.5258000                  ?              ?              ?              ?
  1 1 1       9    4    8 o    20.38000      0.2768000       20.28000 0.3887000       20.48000      0.3942000     -0.1991000      0.5536000
  1 1 1       9    4   10 o    23.65000      0.3902000       23.69000 0.6377000       23.61000      0.4500000      0.7743000E-01  0.7805000
  1 1 1       9    4   11 o    4.762000      0.1310000       4.611000 0.1735000       4.912000      0.1964000     -0.3014000      0.2620000
  1 1 1       9    4   12 o    4.777000      0.1229000       4.656000 0.1659000       4.898000      0.1812000     -0.2412000      0.2457000
  1 1 1       9    4   13 o    8.321000      0.1425000       8.185000 0.2295000       8.457000      0.1691000     -0.2728000      0.2851000
  1 1 1       9    4   14 o    8.899000      0.2341000       8.370000 0.4252000       9.428000      0.1961000      -1.058000      0.4682000
  1 1 1       9    4   15 o    4.673000      0.3434000       4.504000 0.6598000       4.842000      0.1905000     -0.3376000      0.6868000
  1 1 1       9    4   16 o    10.32000      0.1504000       10.69000 0.2189000       9.955000      0.2063000      0.7364000      0.3008000
  1 1 1       9    4   17 o    2.939000      0.1317000       2.582000 0.1919000       3.296000      0.1804000     -0.7138000      0.2634000
  1 1 1       9    4   18 o    4.286000      0.1167000       4.230000 0.1583000       4.341000      0.1715000     -0.1109000      0.2334000
  1 1 1       9    4   19 o    7.674000      0.1308000       7.710000 0.1826000       7.638000      0.1872000      0.7268000E-01  0.2615000
  1 1 1       9    4   20 o    5.465000      0.1336000       5.397000 0.1769000       5.532000      0.2003000     -0.1344000      0.2672000
  1 1 1       9    4   21 o    9.652000      0.1575000       9.267000 0.2132000       10.04000      0.2318000     -0.7710000      0.3150000
  1 1 1       9    4   22 o    10.64000      0.1713000       10.87000 0.2423000       10.41000      0.2423000      0.4642000      0.3427000
  1 1 1       9    4   23 o    9.959000      0.1684000       9.747000 0.2303000       10.17000      0.2458000     -0.4232000      0.3368000
  1 1 1       9    4   24 o    16.12000      0.2352000       16.12000 0.3288000       16.12000      0.3363000     -0.1003000E-02  0.4703000
  1 1 1       9    4   25 o    2.695000      0.3381000       3.089000 0.3677000       2.301000      0.5675000      0.7872000      0.6762000
  1 1 1       9    4   26 o    17.83000      0.2584000       18.13000 0.3672000       17.53000      0.3638000      0.6046000      0.5168000
  1 1 1       9    4   27 o    3.686000      0.3672000       3.780000 0.4629000       3.592000      0.5703000      0.1879000      0.7345000
  1 1 1       9    4   28 o    6.909000      0.1989000       6.621000 0.2665000       7.196000      0.2955000     -0.5747000      0.3979000
  1 1 1       9    4   29 o    5.541000      0.2336000       5.411000 0.3114000       5.672000      0.3484000     -0.2609000      0.4672000
  1 1 1       9    4   30 o    8.571000      0.3111000       8.354000 0.4213000       8.789000      0.4577000     -0.4345000      0.6221000
  1 1 1       9    4   31 o    2.761000      0.6250000       2.692000 0.8567000       2.830000      0.9104000     -0.1377000       1.250000
  1 1 1       9    4   32 o    2.461000      0.5073000       2.757000 0.6512000       2.166000      0.7780000      0.5908000       1.015000
  1 1 1       9    4   33 o    9.801000      0.2218000       9.749000 0.2896000       9.852000      0.3361000     -0.1028000      0.4437000
  1 1 1       9    4   34 o    2.237000      0.5229000       2.324000 0.6927000       2.149000      0.7835000      0.1756000       1.046000
  1 1 1       9    4   35 o    2.321000      0.5086000       2.696000 0.6761000       1.945000      0.7599000      0.7510000       1.017000
  1 1 1       9    4   36 o    2.294000      0.5007000       2.755000 0.6761000       1.833000      0.7386000      0.9218000       1.001000
  1 1 1       9    4   37 o    2.962000      0.4262000       3.103000 0.4911000       2.821000      0.6967000      0.2824000      0.8524000
  1 1 1       9    5    0 o    5.056000      0.1476000       5.079000 0.2078000       5.033000      0.2098000      0.4570000E-01  0.2953000
  1 1 1       9    5    1 o    16.88000      0.2381000       16.94000 0.3377000       16.82000      0.3358000      0.1228000      0.4762000
  1 1 1       9    5    2 o    27.40000      0.3727000       27.30000 0.5249000       27.51000      0.5291000     -0.2119000      0.7453000
  1 1 1       9    5    3 o    18.95000      0.2623000       19.01000 0.3719000       18.89000      0.3700000      0.1142000      0.5246000
  1 1 1       9    5    4 o    10.63000      0.1621000       10.48000 0.2263000       10.78000      0.2322000     -0.3036000      0.3242000
  1 1 1       9    5    5 f    16.88000      0.2344000       17.00000 0.3336000       16.77000      0.3294000      0.2293000      0.4689000
  1 1 1       9    5    6 o    22.64000      0.3075000       22.57000 0.4334000       22.70000      0.4364000     -0.1276000      0.6150000
  1 1 1       9    5    7 o    20.23000      0.2756000       20.18000 0.3886000       20.29000      0.3909000     -0.1092000      0.5512000
  1 1 1       9    5    8 f    22.01000      0.2978000       21.96000 0.4203000       22.05000      0.4222000     -0.9647000E-01  0.5957000
  1 1 1       9    5    9 f    11.24000      0.1588000       11.20000 0.2227000       11.29000      0.2264000     -0.8715000E-01  0.3176000
  1 1 1       9    5   10 o    9.628000      0.1710000       9.490000 0.1921000       9.765000      0.2829000     -0.2749000      0.3419000
  1 1 1       9    5   11 o    25.28000      0.3514000       25.70000 0.4904000       24.86000      0.5035000      0.8351000      0.7028000
  1 1 1       9    5   12 o    8.530000      0.1745000       8.770000 0.1820000       8.290000      0.2978000      0.4800000      0.3490000
  1 1 1       9    5   13 o    9.880000      0.1411000       9.803000 0.1997000       9.958000      0.1995000     -0.1550000      0.2822000
  1 1 1       9    5   14 o    7.834000      0.1482000       7.846000 0.2280000       7.822000      0.1893000      0.2439000E-01  0.2964000
  1 1 1       9    5   15 o    3.889000      0.6205000       3.548000 1.223000       4.229000      0.2075000     -0.6813000       1.241000
  1 1 1       9    5   16 f    5.480000      0.1382000       5.675000 0.2088000       5.285000      0.1812000      0.3903000      0.2765000
  1 1 1       9    5   17 o    3.560000      0.1525000       3.698000 0.2225000       3.423000      0.2086000      0.2746000      0.3050000
  1 1 1       9    5   18 o    5.451000      0.1224000       5.557000 0.1743000       5.346000      0.1719000      0.2109000      0.2448000
  1 1 1       9    5   19 o    7.085000      0.1272000       7.136000 0.1773000       7.034000      0.1825000      0.1020000      0.2544000
  1 1 1       9    5   20 o    10.41000      0.1615000       10.45000 0.2252000       10.36000      0.2316000      0.8762000E-01  0.3230000
  1 1 1       9    5   21 o    6.729000      0.1379000       6.613000 0.1871000       6.845000      0.2028000     -0.2318000      0.2759000
  1 1 1       9    5   22 o    11.76000      0.1818000       11.82000 0.2560000       11.70000      0.2582000      0.1222000      0.3636000
  1 1 1       9    5   23 o    8.572000      0.1599000       8.867000 0.2246000       8.277000      0.2275000      0.5899000      0.3197000
  1 1 1       9    5   24 o    9.669000      0.1707000       9.510000 0.2336000       9.828000      0.2488000     -0.3179000      0.3413000
  1 1 1       9    5   25 o    2.820000      0.3021000       2.588000 0.4241000       3.052000      0.4303000     -0.4635000      0.6042000
  1 1 1       9    5   26 o    2.044000      0.4628000       2.111000 0.6113000       1.977000      0.6950000      0.1340000      0.9256000
  1 1 1       9    5   27 o    4.963000      0.3121000       5.218000 0.2857000       4.709000      0.5551000      0.5089000      0.6243000
  1 1 1       9    5   28 f    9.377000      0.1922000       9.285000 0.2601000       9.470000      0.2831000     -0.1860000      0.3845000
  1 1 1       9    5   29 o    5.146000      0.3872000       4.361000 0.5929000       5.931000      0.4983000      -1.570000      0.7745000
  1 1 1       9    5   30 o    6.373000      0.3525000       6.324000 0.4653000       6.422000      0.5296000     -0.9776000E-01  0.7050000
  1 1 1       9    5   31 f    1.801000      0.4676000       2.121000 0.6650000       1.482000      0.6574000      0.6385000      0.9351000
  1 1 1       9    5   32 o    5.002000      0.3043000       5.385000 0.3650000       4.619000      0.4870000      0.7657000      0.6086000
  1 1 1       9    5   33 o    2.060000      0.4820000       2.556000 0.6697000       1.564000      0.6934000      0.9914000      0.9640000
  1 1 1       9    5   34 o    6.823000      0.2532000       7.068000 0.3165000       6.579000      0.3953000      0.4889000      0.5064000
  1 1 1       9    5   35 o    4.289000      0.3536000       4.233000 0.4502000       4.345000      0.5454000     -0.1118000      0.7072000
  1 1 1       9    5   36 o    2.042000      0.4847000       2.696000 0.7250000       1.388000      0.6434000       1.308000      0.9693000
  1 1 1       9    5   37 o    1.407000      0.4523000       1.466000 0.6565000       1.349000      0.6224000      0.1173000      0.9047000
  1 1 1       9    6    0 o    35.24000      0.4759000       34.91000 0.6666000       35.58000      0.6793000     -0.6690000      0.9517000
  1 1 1       9    6    1 f    24.67000      0.3375000       24.74000 0.4786000       24.60000      0.4761000      0.1422000      0.6751000
  1 1 1       9    6    2 o    5.724000      0.1414000       5.753000 0.1987000       5.696000      0.2012000      0.5694000E-01  0.2828000
  1 1 1       9    6    3 o    12.07000      0.1801000       12.08000 0.2545000       12.06000      0.2549000      0.2516000E-01  0.3602000
  1 1 1       9    6    4 o    2.433000      0.2048000       2.577000 0.2751000       2.290000      0.3035000      0.2879000      0.4096000
  1 1 1       9    6    5 o    9.578000      0.1498000       9.530000 0.2112000       9.626000      0.2124000     -0.9659000E-01  0.2995000
  1 1 1       9    6    6 o    16.12000      0.2244000       15.94000 0.3137000       16.29000      0.3209000     -0.3458000      0.4488000
  1 1 1       9    6    7 o    16.40000      0.2265000       16.28000 0.3176000       16.52000      0.3230000     -0.2444000      0.4530000
  1 1 1       9    6    8 o    11.00000      0.1586000       11.07000 0.2250000       10.93000      0.2234000      0.1358000      0.3171000
  1 1 1       9    6    9 o    17.11000      0.2331000       17.11000 0.3290000       17.11000      0.3303000     -0.4379000E-02  0.4662000
  1 1 1       9    6   10 o    18.56000      0.2534000       18.45000 0.3538000       18.67000      0.3629000     -0.2190000      0.5068000
  1 1 1       9    6   11 o    27.01000      0.3760000       27.10000 0.5193000       26.91000      0.5440000      0.1868000      0.7521000
  1 1 1       9    6   12 o    7.550000      0.1306000       7.599000 0.1754000       7.501000      0.1935000      0.9814000E-01  0.2612000
  1 1 1       9    6   13 o    3.803000      0.1357000       3.902000 0.1955000       3.704000      0.1884000      0.1986000      0.2715000
  1 1 1       9    6   14 o    7.249000      0.1495000       7.150000 0.2231000       7.349000      0.1990000     -0.1994000      0.2990000
  1 1 1       9    6   15 o    6.750000      0.1585000       6.798000 0.2358000       6.702000      0.2118000      0.9590000E-01  0.3170000
  1 1 1       9    6   16 o    12.05000      0.1857000       11.98000 0.2709000       12.11000      0.2541000     -0.1329000      0.3714000
  1 1 1       9    6   17 o    10.03000      0.1580000       10.00000 0.2250000       10.05000      0.2218000     -0.4516000E-01  0.3159000
  1 1 1       9    6   18 o    7.340000      0.1763000       7.076000 0.2942000       7.603000      0.1944000     -0.5266000      0.3527000
  1 1 1       9    6   19 o    2.323000      0.2300000       2.353000 0.3261000       2.292000      0.3244000      0.6110000E-01  0.4600000
  1 1 1       9    6   20 o    9.044000      0.1520000       9.455000 0.2219000       8.633000      0.2078000      0.8215000      0.3040000
  1 1 1       9    6   21 o    10.38000      0.1642000       10.01000 0.2233000       10.74000      0.2408000     -0.7278000      0.3284000
  1 1 1       9    6   22 o    13.95000      0.2055000       13.38000 0.2785000       14.52000      0.3021000      -1.144000      0.4109000
  1 1 1       9    6   23 o    2.707000      0.2639000       2.695000 0.3506000       2.718000      0.3946000     -0.2367000E-01  0.5278000
  1 1 1       9    6   24 o    8.526000      0.2189000       8.574000 0.3015000       8.478000      0.3174000      0.9617000E-01  0.4378000
  1 1 1       9    6   25 o    4.703000      0.2505000       4.739000 0.3345000       4.667000      0.3729000      0.7200000E-01  0.5010000
  1 1 1       9    6   26 o    8.206000      0.1759000       8.391000 0.2439000       8.022000      0.2535000      0.3688000      0.3518000
  1 1 1       9    6   27 o    8.644000      0.1846000       8.514000 0.2547000       8.774000      0.2672000     -0.2598000      0.3691000
  1 1 1       9    6   28 o    4.686000      0.3771000       5.019000 0.4515000       4.353000      0.6042000      0.6658000      0.7542000
  1 1 1       9    6   29 o    2.000000      0.5489000       2.127000 0.7639000       1.873000      0.7884000      0.2536000       1.098000
  1 1 1       9    6   30 o    7.829000      0.2100000       7.524000 0.2904000       8.135000      0.3035000     -0.6112000      0.4201000
  1 1 1       9    6   31 o    2.000000      0.4873000       2.197000 0.6596000       1.802000      0.7176000      0.3959000      0.9747000
  1 1 1       9    6   32 o    4.764000      0.3108000       5.317000 0.3615000       4.211000      0.5056000       1.105000      0.6216000
  1 1 1       9    6   33 o    4.498000      0.3279000       4.179000 0.4478000       4.818000      0.4790000     -0.6384000      0.6557000
  1 1 1       9    6   34 o    6.609000      0.2590000       6.708000 0.3337000       6.509000      0.3962000      0.1986000      0.5180000
  1 1 1       9    6   35 o    6.781000      0.2536000       6.692000 0.3362000       6.869000      0.3797000     -0.1769000      0.5071000
  1 1 1       9    6   36 o    3.231000      0.5076000       3.834000 0.5191000       2.628000      0.8726000       1.206000       1.015000
  1 1 1       9    6   37 o    2.221000      0.4829000       1.505000 0.6632000       2.936000      0.7022000      -1.430000      0.9659000
  1 1 1       9    7    0 o    6.139000      0.1497000       6.171000 0.2113000       6.106000      0.2122000      0.6412000E-01  0.2995000
  1 1 1       9    7    1 o    19.93000      0.2777000       20.10000 0.3957000       19.76000      0.3898000      0.3330000      0.5554000
  1 1 1       9    7    2 o    3.479000      0.1836000       3.489000 0.2666000       3.469000      0.2525000      0.2005000E-01  0.3672000
  1 1 1       9    7    3 o    17.04000      0.2397000       16.87000 0.3353000       17.21000      0.3426000     -0.3349000      0.4794000
  1 1 1       9    7    4 o    14.36000      0.2059000       14.36000 0.2910000       14.35000      0.2914000      0.6800000E-02  0.4118000
  1 1 1       9    7    5 o    14.85000      0.2099000       14.85000 0.2968000       14.84000      0.2970000      0.6252000E-02  0.4199000
  1 1 1       9    7    6 o    25.62000      0.3467000       25.56000 0.4892000       25.68000      0.4915000     -0.1171000      0.6935000
  1 1 1       9    7    7 o    17.27000      0.2379000       17.38000 0.3380000       17.16000      0.3347000      0.2281000      0.4757000
  1 1 1       9    7    8 o    15.65000      0.2618000       15.77000 0.3065000       15.54000      0.4244000      0.2258000      0.5236000
  1 1 1       9    7    9 o    17.75000      0.2420000       17.58000 0.3380000       17.92000      0.3465000     -0.3401000      0.4840000
  1 1 1       9    7   11 o    10.87000      0.1939000       10.87000 0.2389000       10.87000      0.3055000     -0.5849000E-02  0.3878000
  1 1 1       9    7   12 o    9.865000      0.1835000       9.801000 0.2288000       9.929000      0.2869000     -0.1274000      0.3670000
  1 1 1       9    7   13 o    4.579000      0.1538000       4.425000 0.2210000       4.734000      0.2140000     -0.3089000      0.3076000
  1 1 1       9    7   14 o    13.01000      0.2181000       12.72000 0.3329000       13.30000      0.2818000     -0.5767000      0.4361000
  1 1 1       9    7   15 o    8.380000      0.1739000       8.448000 0.2618000       8.312000      0.2290000      0.1361000      0.3478000
  1 1 1       9    7   16 o    10.05000      0.2034000       10.21000 0.2745000       9.885000      0.3002000      0.3295000      0.4068000
  1 1 1       9    7   17 o    7.550000      0.1564000       7.719000 0.2322000       7.380000      0.2095000      0.3395000      0.3127000
  1 1 1       9    7   18 o    12.21000      0.1831000       12.31000 0.2634000       12.12000      0.2546000      0.1884000      0.3663000
  1 1 1       9    7   19 o    7.116000      0.1454000       7.026000 0.2091000       7.207000      0.2021000     -0.1814000      0.2908000
  1 1 1       9    7   20 o    11.83000      0.1801000       12.20000 0.2621000       11.46000      0.2472000      0.7357000      0.3603000
  1 1 1       9    7   21 o    5.168000      0.1541000       4.980000 0.2154000       5.355000      0.2205000     -0.3747000      0.3083000
  1 1 1       9    7   22 o    4.552000      0.1714000       4.476000 0.2314000       4.628000      0.2528000     -0.1519000      0.3427000
  1 1 1       9    7   23 o    3.099000      0.2952000       3.126000 0.4012000       3.072000      0.4331000      0.5434000E-01  0.5904000
  1 1 1       9    7   24 o    13.70000      0.2076000       13.55000 0.2884000       13.85000      0.2986000     -0.2985000      0.4151000
  1 1 1       9    7   25 o    11.38000      0.1879000       11.53000 0.2634000       11.24000      0.2679000      0.2883000      0.3757000
  1 1 1       9    7   26 o    2.630000      0.4118000       2.295000 0.7112000       2.964000      0.4151000     -0.6691000      0.8235000
  1 1 1       9    7   27 o    5.842000      0.3124000       5.845000 0.4292000       5.839000      0.4539000      0.6143000E-02  0.6247000
  1 1 1       9    7   28 o    5.930000      0.2057000       5.742000 0.2848000       6.118000      0.2968000     -0.3762000      0.4114000
  1 1 1       9    7   29 o    5.406000      0.2293000       5.421000 0.3143000       5.391000      0.3340000      0.2985000E-01  0.4586000
  1 1 1       9    7   30 o    3.059000      0.3909000       2.824000 0.5554000       3.294000      0.5502000     -0.4699000      0.7818000
  1 1 1       9    7   31 o    4.092000      0.3234000       3.983000 0.4477000       4.200000      0.4667000     -0.2175000      0.6467000
  1 1 1       9    7   32 o    3.626000      0.3756000       3.150000 0.5530000       4.101000      0.5084000     -0.9515000      0.7512000
  1 1 1       9    7   33 o    3.945000      0.3562000       4.017000 0.4412000       3.873000      0.5593000      0.1442000      0.7124000
  1 1 1       9    7   34 o    3.686000      0.3902000       3.352000 0.5673000       4.020000      0.5359000     -0.6681000      0.7804000
  1 1 1       9    7   35 o    4.620000      0.3272000       5.146000 0.3775000       4.094000      0.5345000       1.052000      0.6543000
  1 1 1       9    7   36 o    3.873000      0.4991000       3.873000 0.4991000                  ?              ?              ?              ?
  1 1 1       9    7   37 o    2.734000      0.5175000       2.612000 0.7343000       2.856000      0.7294000     -0.2444000       1.035000
  1 1 1       9    8    0 o    11.82000      0.2637000       11.49000 0.3621000       12.14000      0.3833000     -0.6509000      0.5273000
  1 1 1       9    8    1 o    5.840000      0.1481000       5.720000 0.2137000       5.959000      0.2052000     -0.2384000      0.2962000
  1 1 1       9    8    2 o    6.593000      0.1454000       7.029000 0.2057000       6.157000      0.2056000      0.8716000      0.2908000
  1 1 1       9    8    3 o    8.940000      0.1523000       9.042000 0.2152000       8.839000      0.2156000      0.2035000      0.3046000
  1 1 1       9    8    4 o    19.60000      0.2711000       19.68000 0.3851000       19.51000      0.3816000      0.1750000      0.5421000
  1 1 1       9    8    5 o    15.82000      0.2231000       15.71000 0.3132000       15.92000      0.3178000     -0.2108000      0.4462000
  1 1 1       9    8    6 o    7.119000      0.1286000       7.180000 0.1801000       7.058000      0.1835000      0.1226000      0.2572000
  1 1 1       9    8    7 o    14.99000      0.2088000       14.81000 0.2915000       15.16000      0.2991000     -0.3562000      0.4176000
  1 1 1       9    8    8 o    24.15000      0.4604000       24.15000 0.4604000                  ?              ?              ?              ?
  1 1 1       9    8    9 o    12.80000      0.1820000       12.74000 0.2530000       12.87000      0.2615000     -0.1297000      0.3639000
  1 1 1       9    8   11 o    13.29000      0.2229000       12.99000 0.2789000       13.58000      0.3478000     -0.5875000      0.4458000
  1 1 1       9    8   12 o    9.769000      0.1806000       9.676000 0.2407000       9.861000      0.2692000     -0.1849000      0.3612000
  1 1 1       9    8   13 o    10.83000      0.1870000       10.97000 0.2789000       10.69000      0.2492000      0.2773000      0.3740000
  1 1 1       9    8   14 o    8.979000      0.1861000       9.130000 0.2836000       8.828000      0.2410000      0.3023000      0.3722000
  1 1 1       9    8   15 o    8.221000      0.1787000       8.285000 0.2631000       8.157000      0.2421000      0.1278000      0.3575000
  1 1 1       9    8   16 o    5.404000      0.1715000       5.257000 0.2517000       5.550000      0.2330000     -0.2927000      0.3430000
  1 1 1       9    8   17 o    3.481000      0.2210000       3.384000 0.3314000       3.577000      0.2924000     -0.1933000      0.4419000
  1 1 1       9    8   18 o    12.13000      0.2273000       12.26000 0.2764000       11.99000      0.3610000      0.2671000      0.4547000
  1 1 1       9    8   19 f    4.759000      0.1694000       4.945000 0.2460000       4.573000      0.2329000      0.3719000      0.3388000
  1 1 1       9    8   20 o    6.038000      0.2075000       6.187000 0.2758000       5.889000      0.3101000      0.2981000      0.4151000
  1 1 1       9    8   21 o    1.921000      0.3360000       1.118000 0.4909000       2.724000      0.4589000      -1.606000      0.6720000
  1 1 1       9    8   22 o    5.430000      0.1619000       5.398000 0.2256000       5.461000      0.2323000     -0.6341000E-01  0.3238000
  1 1 1       9    8   23 o    9.736000      0.1726000       9.812000 0.2480000       9.661000      0.2400000      0.1507000      0.3451000
  1 1 1       9    8   24 o    16.00000      0.2363000       16.00000 0.3368000       16.01000      0.3316000     -0.1097000E-01  0.4726000
  1 1 1       9    8   25 o    6.443000      0.2747000       6.369000 0.3892000       6.517000      0.3877000     -0.1475000      0.5493000
  1 1 1       9    8   26 o    3.651000      0.4209000       3.174000 0.6385000       4.128000      0.5486000     -0.9535000      0.8418000
  1 1 1       9    8   27 o    12.67000      0.2065000       12.78000 0.2876000       12.56000      0.2964000      0.2189000      0.4130000
  1 1 1       9    8   28 o    6.310000      0.1973000       6.173000 0.2618000       6.448000      0.2954000     -0.2751000      0.3947000
  1 1 1       9    8   29 o    2.445000      0.4132000       2.778000 0.5038000       2.112000      0.6551000      0.6666000      0.8264000
  1 1 1       9    8   30 f    2.433000      0.4371000       2.752000 0.5366000       2.114000      0.6902000      0.6379000      0.8743000
  1 1 1       9    8   31 o    3.611000      0.3546000       3.666000 0.4390000       3.557000      0.5569000      0.1090000      0.7091000
  1 1 1       9    8   32 o    3.385000      0.3784000       3.026000 0.5545000       3.744000      0.5149000     -0.7185000      0.7567000
  1 1 1       9    8   33 o    3.658000      0.3698000       3.515000 0.5165000       3.802000      0.5293000     -0.2869000      0.7396000
  1 1 1       9    8   34 o    5.463000      0.2813000       5.724000 0.3536000       5.202000      0.4375000      0.5222000      0.5625000
  1 1 1       9    8   35 o    4.359000      0.3509000       4.769000 0.4209000       3.948000      0.5616000      0.8211000      0.7018000
  1 1 1       9    8   36 o    2.209000      0.4947000       2.204000 0.7349000       2.215000      0.6624000     -0.1070000E-01  0.9893000
  1 1 1       9    9    0 o    12.42000      0.1921000       12.71000 0.2760000       12.13000      0.2673000      0.5804000      0.3842000
  1 1 1       9    9    1 o    13.45000      0.2880000       13.37000 0.4019000       13.53000      0.4127000     -0.1596000      0.5760000
  1 1 1       9    9    2 o    24.02000      0.4671000       23.87000 0.6556000       24.16000      0.6655000     -0.2933000      0.9342000
  1 1 1       9    9    3 o    6.924000      0.2091000       6.795000 0.2802000       7.052000      0.3103000     -0.2573000      0.4181000
  1 1 1       9    9    4 o    10.14000      0.2027000       9.873000 0.2257000       10.40000      0.3367000     -0.5281000      0.4054000
  1 1 1       9    9    5 o    9.252000      0.1496000       9.093000 0.2096000       9.411000      0.2136000     -0.3173000      0.2992000
  1 1 1       9    9    6 o    5.008000      0.1269000       4.902000 0.1800000       5.114000      0.1788000     -0.2119000      0.2538000
  1 1 1       9    9    7 o    14.61000      0.2045000       14.73000 0.2906000       14.49000      0.2879000      0.2383000      0.4090000
  1 1 1       9    9    8 o    7.670000      0.1755000       7.670000 0.1755000                  ?              ?              ?              ?
  1 1 1       9    9    9 o    7.903000      0.1377000       7.644000 0.1799000       8.161000      0.2086000     -0.5171000      0.2755000
  1 1 1       9    9   11 o    7.073000      0.1700000       6.989000 0.2366000       7.156000      0.2441000     -0.1669000      0.3399000
  1 1 1       9    9   12 o    2.089000      0.3738000       1.702000 0.6129000       2.475000      0.4280000     -0.7730000      0.7476000
  1 1 1       9    9   13 o    14.14000      0.3375000       13.53000 0.5190000       14.74000      0.4316000      -1.209000      0.6750000
  1 1 1       9    9   14 o    6.419000      0.1950000       6.315000 0.2736000       6.523000      0.2779000     -0.2077000      0.3900000
  1 1 1       9    9   15 o    6.615000      0.1741000       6.745000 0.2505000       6.485000      0.2417000      0.2596000      0.3481000
  1 1 1       9    9   16 o    5.141000      0.1797000       5.420000 0.2600000       4.863000      0.2480000      0.5565000      0.3593000
  1 1 1       9    9   17 o    5.439000      0.4936000       5.296000 0.8326000       5.583000      0.5304000     -0.2868000      0.9872000
  1 1 1       9    9   18 o    4.766000      0.5115000       4.048000 0.9167000       5.485000      0.4543000      -1.437000       1.023000
  1 1 1       9    9   19 o    4.517000      0.2794000       4.745000 0.4023000       4.288000      0.3878000      0.4570000      0.5588000
  1 1 1       9    9   20 o    3.022000      0.2747000       3.363000 0.3726000       2.681000      0.4038000      0.6823000      0.5494000
  1 1 1       9    9   21 o    3.526000      0.2322000       3.631000 0.3099000       3.422000      0.3458000      0.2089000      0.4644000
  1 1 1       9    9   22 o    6.429000      0.2293000       6.903000 0.3993000       5.954000      0.2254000      0.9485000      0.4585000
  1 1 1       9    9   23 o    12.66000      0.2963000       12.83000 0.4314000       12.50000      0.4064000      0.3229000      0.5927000
  1 1 1       9    9   24 o    5.866000      0.3120000       5.606000 0.4776000       6.126000      0.4017000     -0.5196000      0.6241000
  1 1 1       9    9   25 o    7.208000      0.1790000       7.197000 0.2520000       7.219000      0.2544000     -0.2276000E-01  0.3581000
  1 1 1       9    9   26 o    15.65000      0.2389000       15.60000 0.3418000       15.70000      0.3340000     -0.1011000      0.4779000
  1 1 1       9    9   27 o    5.848000      0.2252000       5.919000 0.3390000       5.777000      0.2966000      0.1423000      0.4504000
  1 1 1       9    9   28 o    1.316000      0.3888000       1.518000 0.5779000       1.113000      0.5204000      0.4051000      0.7777000
  1 1 1       9    9   29 o    6.670000      0.2018000       6.869000 0.2654000       6.471000      0.3042000      0.3977000      0.4037000
  1 1 1       9    9   30 o    7.653000      0.2033000       7.505000 0.2722000       7.800000      0.3020000     -0.2952000      0.4066000
  1 1 1       9    9   31 o    1.567000      0.4524000       1.441000 0.6044000       1.693000      0.6733000     -0.2524000      0.9048000
  1 1 1       9    9   32 o    1.247000      0.4076000       1.308000 0.5881000       1.187000      0.5645000      0.1206000      0.8152000
  1 1 1       9    9   33 o    11.09000      0.2218000       11.08000 0.3056000       11.09000      0.3216000     -0.8081000E-02  0.4437000
  1 1 1       9    9   34 o    5.514000      0.2797000       5.619000 0.3536000       5.410000      0.4336000      0.2086000      0.5594000
  1 1 1       9    9   35 f    2.049000      0.5241000       1.832000 0.7009000       2.266000      0.7793000     -0.4334000       1.048000
  1 1 1       9    9   36 o    4.333000      0.3757000       4.589000 0.4737000       4.078000      0.5833000      0.5103000      0.7514000
  1 1 1       9   10    0 o    2.133000      0.2964000       1.991000 0.4358000       2.275000      0.4017000     -0.2838000      0.5927000
  1 1 1       9   10    1 o    14.78000      0.2175000       15.01000 0.3114000       14.55000      0.3036000      0.4520000      0.4349000
  1 1 1       9   10    2 o    7.607000      0.1526000       7.587000 0.2179000       7.628000      0.2137000     -0.4127000E-01  0.3052000
  1 1 1       9   10    3 o    15.51000      0.2233000       15.19000 0.3105000       15.83000      0.3210000     -0.6424000      0.4466000
  1 1 1       9   10    4 o    22.76000      0.4427000       22.68000 0.6229000       22.83000      0.6293000     -0.1514000      0.8854000
  1 1 1       9   10    5 o    17.01000      0.3387000       16.92000 0.4760000       17.10000      0.4819000     -0.1792000      0.6774000
  1 1 1       9   10    6 o    9.106000      0.2098000       9.116000 0.2918000       9.096000      0.3016000      0.2009000E-01  0.4197000
  1 1 1       9   10    7 o    6.131000      0.1814000       6.278000 0.2451000       5.985000      0.2674000      0.2929000      0.3627000
  1 1 1       9   10    8 o    13.24000      0.2658000       13.12000 0.3719000       13.37000      0.3800000     -0.2527000      0.5317000
  1 1 1       9   10    9 o    15.21000      0.2989000       15.44000 0.4286000       14.97000      0.4168000      0.4633000      0.5978000
  1 1 1       9   10   10 o    8.402000      0.1878000       8.226000 0.2654000       8.578000      0.2659000     -0.3517000      0.3756000
  1 1 1       9   10   11 o    10.33000      0.2309000       10.80000 0.3477000       9.859000      0.3038000      0.9383000      0.4618000
  1 1 1       9   10   12 o    2.098000      0.5060000       1.988000 0.8061000       2.208000      0.6119000     -0.2194000       1.012000
  1 1 1       9   10   13 o    4.874000      0.4690000       5.465000 0.8112000       4.283000      0.4709000       1.182000      0.9380000
  1 1 1       9   10   14 o    5.953000       1.010000       6.796000 1.864000       5.109000      0.7757000       1.687000       2.019000
  1 1 1       9   10   15 o    6.337000       1.022000       5.632000 1.932000       7.042000      0.6650000      -1.410000       2.044000
  1 1 1       9   10   16 o    6.214000      0.1930000       6.243000 0.2830000       6.186000      0.2626000      0.5766000E-01  0.3861000
  1 1 1       9   10   17 o    12.19000      0.2199000       11.95000 0.3279000       12.44000      0.2931000     -0.4873000      0.4398000
  1 1 1       9   10   18 o    6.823000      0.1825000       6.616000 0.2762000       7.030000      0.2386000     -0.4135000      0.3650000
  1 1 1       9   10   19 o    5.153000      0.2026000       4.579000 0.3146000       5.727000      0.2553000      -1.148000      0.4052000
  1 1 1       9   10   20 o    6.064000      0.2321000       5.852000 0.3403000       6.276000      0.3155000     -0.4243000      0.4641000
  1 1 1       9   10   21 o    8.862000      0.2508000       9.233000 0.3709000       8.490000      0.3378000      0.7429000      0.5016000
  1 1 1       9   10   22 o    4.775000      0.2100000       4.895000 0.2990000       4.656000      0.2950000      0.2397000      0.4200000
  1 1 1       9   10   23 o    8.754000      0.1751000       9.134000 0.2529000       8.374000      0.2424000      0.7602000      0.3503000
  1 1 1       9   10   24 o    1.750000      0.4237000       1.766000 0.5984000       1.734000      0.6001000      0.3222000E-01  0.8475000
  1 1 1       9   10   25 o    4.724000      0.2509000       4.243000 0.4054000       5.204000      0.2957000     -0.9612000      0.5018000
  1 1 1       9   10   26 o    6.793000      0.1898000       6.831000 0.2660000       6.754000      0.2709000      0.7667000E-01  0.3797000
  1 1 1       9   10   27 o    7.900000      0.1930000       8.036000 0.2767000       7.763000      0.2693000      0.2726000      0.3861000
  1 1 1       9   10   28 o    1.582000      0.4330000       1.776000 0.6282000       1.387000      0.5961000      0.3886000      0.8660000
  1 1 1       9   10   29 o    1.628000      0.4329000       1.827000 0.6157000       1.430000      0.6088000      0.3970000      0.8659000
  1 1 1       9   10   30 o    7.279000      0.2046000       6.810000 0.2791000       7.749000      0.2993000     -0.9388000      0.4093000
  1 1 1       9   10   31 o    5.460000      0.2509000       5.336000 0.3338000       5.583000      0.3747000     -0.2461000      0.5018000
  1 1 1       9   10   32 o    2.742000      0.4718000       2.428000 0.6747000       3.057000      0.6596000     -0.6291000      0.9436000
  1 1 1       9   10   33 o    7.936000      0.2301000       7.932000 0.3080000       7.941000      0.3420000     -0.8506000E-02  0.4603000
  1 1 1       9   10   34 o    3.918000      0.3740000       3.849000 0.4991000       3.987000      0.5572000     -0.1377000      0.7480000
  1 1 1       9   10   35 o    2.343000      0.4806000       3.112000 0.6637000       1.573000      0.6954000       1.539000      0.9612000
  1 1 1       9   10   36 o    3.324000      0.4830000       3.844000 0.5946000       2.804000      0.7614000       1.041000      0.9660000
  1 1 1       9   11    0 o    19.57000      0.3885000       20.02000 0.5623000       19.12000      0.5363000      0.8986000      0.7770000
  1 1 1       9   11    1 o    11.15000      0.2498000       11.56000 0.3649000       10.74000      0.3412000      0.8198000      0.4996000
  1 1 1       9   11    2 o    11.58000      0.2516000       11.47000 0.3569000       11.69000      0.3547000     -0.2203000      0.5032000
  1 1 1       9   11    3 o    21.79000      0.4233000       21.90000 0.6018000       21.69000      0.5955000      0.2063000      0.8467000
  1 1 1       9   11    4 o    12.72000      0.1892000       12.80000 0.2687000       12.64000      0.2665000      0.1587000      0.3785000
  1 1 1       9   11    5 o    13.09000      0.1903000       13.19000 0.2706000       12.98000      0.2676000      0.2090000      0.3806000
  1 1 1       9   11    6 o    10.04000      0.1547000       9.909000 0.2137000       10.17000      0.2238000     -0.2611000      0.3095000
  1 1 1       9   11    7 o    10.77000      0.1623000       10.66000 0.2243000       10.87000      0.2347000     -0.2069000      0.3246000
  1 1 1       9   11    8 o    15.04000      0.2150000       14.99000 0.2978000       15.09000      0.3101000     -0.1062000      0.4299000
  1 1 1       9   11    9 o    15.19000      0.2310000       15.43000 0.3129000       14.95000      0.3400000      0.4728000      0.4621000
  1 1 1       9   11   10 o    13.29000      0.2356000       13.32000 0.3012000       13.26000      0.3625000      0.6677000E-01  0.4713000
  1 1 1       9   11   11 o    11.47000      0.2255000       11.42000 0.3023000       11.51000      0.3347000     -0.8585000E-01  0.4510000
  1 1 1       9   11   12 o    7.134000      0.2589000       7.321000 0.3973000       6.946000      0.3322000      0.3751000      0.5178000
  1 1 1       9   11   13 o    12.31000      0.2551000       12.59000 0.4049000       12.03000      0.3103000      0.5607000      0.5101000
  1 1 1       9   11   14 o    9.077000      0.2190000       9.075000 0.3219000       9.078000      0.2969000     -0.2357000E-02  0.4380000
  1 1 1       9   11   15 o    6.209000      0.2121000       6.486000 0.2996000       5.932000      0.3002000      0.5539000      0.4241000
  1 1 1       9   11   16 f    7.149000      0.2043000       7.429000 0.2922000       6.868000      0.2855000      0.5614000      0.4085000
  1 1 1       9   11   17 o    5.617000      0.2024000       5.783000 0.2931000       5.451000      0.2791000      0.3322000      0.4048000
  1 1 1       9   11   19 o    3.437000      0.2807000       3.582000 0.4126000       3.291000      0.3806000      0.2911000      0.5613000
  1 1 1       9   11   20 o    6.421000      0.1980000       6.599000 0.2980000       6.243000      0.2607000      0.3561000      0.3960000
  1 1 1       9   11   21 o    2.794000      0.3378000       3.004000 0.4809000       2.584000      0.4745000      0.4207000      0.6756000
  1 1 1       9   11   22 o    2.581000      0.3979000       2.399000 0.6326000       2.764000      0.4827000     -0.3650000      0.7957000
  1 1 1       9   11   23 o    7.998000      0.2210000       7.586000 0.3585000       8.411000      0.2587000     -0.8250000      0.4421000
  1 1 1       9   11   24 o    6.647000      0.1904000       6.517000 0.2755000       6.777000      0.2629000     -0.2604000      0.3808000
  1 1 1       9   11   25 o    3.904000      0.2712000       4.166000 0.3687000       3.642000      0.3979000      0.5245000      0.5425000
  1 1 1       9   11   26 o    9.674000      0.1946000       9.813000 0.2790000       9.535000      0.2714000      0.2785000      0.3892000
  1 1 1       9   11   27 o    7.903000      0.1978000       7.669000 0.2828000       8.137000      0.2766000     -0.4687000      0.3955000
  1 1 1       9   11   28 o    2.651000      0.4115000       2.920000 0.5346000       2.382000      0.6259000      0.5373000      0.8231000
  1 1 1       9   11   29 o    11.45000      0.2164000       11.43000 0.3122000       11.47000      0.2997000     -0.3928000E-01  0.4328000
  1 1 1       9   11   30 o    6.779000      0.2306000       6.794000 0.3223000       6.764000      0.3299000      0.2998000E-01  0.4612000
  1 1 1       9   11   31 o    4.015000      0.3479000       2.957000 0.5612000       5.074000      0.4114000      -2.117000      0.6958000
  1 1 1       9   11   32 o    4.555000      0.3083000       4.594000 0.3982000       4.516000      0.4707000      0.7770000E-01  0.6165000
  1 1 1       9   11   33 o    2.293000      0.5172000       2.618000 0.7093000       1.969000      0.7529000      0.6490000       1.034000
  1 1 1       9   11   34 f    4.706000      0.3325000       4.834000 0.4264000       4.578000      0.5104000      0.2559000      0.6650000
  1 1 1       9   11   35 o    1.732000      0.5088000       1.830000 0.7287000       1.633000      0.7104000      0.1969000       1.018000
  1 1 1       9   11   36 o    2.117000      0.6048000       2.357000 0.8791000       1.876000      0.8309000      0.4813000       1.210000
  1 1 1       9   12    0 o    21.30000      0.2979000       21.28000 0.4204000       21.33000      0.4221000     -0.4876000E-01  0.5957000
  1 1 1       9   12    1 o    38.00000      0.5128000       37.33000 0.7123000       38.68000      0.7378000      -1.351000       1.026000
  1 1 1       9   12    2 f    16.09000      0.2312000       15.86000 0.3227000       16.31000      0.3311000     -0.4466000      0.4624000
  1 1 1       9   12    3 o    9.101000      0.1582000       9.109000 0.2237000       9.092000      0.2239000      0.1663000E-01  0.3165000
  1 1 1       9   12    4 f    9.850000      0.2182000       9.572000 0.3061000       10.13000      0.3110000     -0.5577000      0.4364000
  1 1 1       9   12    5 o    16.41000      0.3235000       16.54000 0.4604000       16.28000      0.4546000      0.2588000      0.6470000
  1 1 1       9   12    6 f    2.861000      0.2425000       3.042000 0.3023000       2.679000      0.3792000      0.3630000      0.4849000
  1 1 1       9   12    7 o    7.024000      0.2142000       6.990000 0.2710000       7.058000      0.3317000     -0.6858000E-01  0.4284000
  1 1 1       9   12    8 o    11.60000      0.2840000       11.89000 0.3661000       11.32000      0.4342000      0.5625000      0.5679000
  1 1 1       9   12    9 o    9.610000      0.3797000       9.610000 0.3797000                  ?              ?              ?              ?
  1 1 1       9   12   10 o    5.069000       1.090000       5.236000 0.7866000       4.902000       2.034000      0.3345000       2.181000
  1 1 1       9   12   11 o    5.238000       1.931000                  ?       ?   5.238000       1.931000                  ?              ?
  1 1 1       9   12   12 o    9.212000      0.6166000       8.658000 0.5702000       9.765000       1.093000      -1.108000       1.233000
  1 1 1       9   12   13 o    5.769000      0.4335000       5.624000 0.4377000       5.914000      0.7484000     -0.2905000      0.8670000
  1 1 1       9   12   14 o    2.413000      0.5523000       2.295000 0.7261000       2.530000      0.8325000     -0.2346000       1.105000
  1 1 1       9   12   15 o    12.88000      0.2609000       13.07000 0.3959000       12.68000      0.3399000      0.3948000      0.5218000
  1 1 1       9   12   16 o    1.702000      0.4123000       1.867000 0.5949000       1.538000      0.5710000      0.3288000      0.8245000
  1 1 1       9   12   17 o    5.643000      0.2171000       5.475000 0.3125000       5.811000      0.3015000     -0.3367000      0.4342000
  1 1 1       9   12   18 o    3.131000      0.3087000       3.027000 0.4525000       3.235000      0.4201000     -0.2081000      0.6174000
  1 1 1       9   12   19 o    2.404000      0.4110000       2.356000 0.6183000       2.452000      0.5418000     -0.9560000E-01  0.8221000
  1 1 1       9   12   20 o    4.477000      0.2590000       5.039000 0.3661000       3.915000      0.3664000       1.124000      0.5179000
  1 1 1       9   12   21 o    7.900000      0.1960000       7.884000 0.2910000       7.917000      0.2626000     -0.3298000E-01  0.3920000
  1 1 1       9   12   22 o    1.899000      0.4297000       1.549000 0.6330000       2.248000      0.5812000     -0.6988000      0.8593000
  1 1 1       9   12   23 o    10.36000      0.2006000       10.45000 0.2952000       10.27000      0.2718000      0.1855000      0.4012000
  1 1 1       9   12   24 o    13.45000      0.2200000       13.72000 0.3194000       13.17000      0.3025000      0.5558000      0.4400000
  1 1 1       9   12   25 o    6.896000      0.1986000       6.884000 0.2827000       6.907000      0.2789000     -0.2322000E-01  0.3971000
  1 1 1       9   12   26 o    11.56000      0.2056000       11.65000 0.2949000       11.48000      0.2867000      0.1770000      0.4113000
  1 1 1       9   12   27 o    5.622000      0.2348000       5.434000 0.3491000       5.810000      0.3140000     -0.3761000      0.4695000
  1 1 1       9   12   28 o    2.064000      0.4787000       2.128000 0.6850000       2.000000      0.6689000      0.1277000      0.9574000
  1 1 1       9   12   29 o    8.321000      0.2128000       8.191000 0.3085000       8.452000      0.2931000     -0.2604000      0.4255000
  1 1 1       9   12   30 o    6.181000      0.2485000       5.883000 0.3628000       6.480000      0.3399000     -0.5976000      0.4971000
  1 1 1       9   12   31 o    4.917000      0.3112000       5.015000 0.4246000       4.818000      0.4550000      0.1971000      0.6223000
  1 1 1       9   12   32 o    5.207000      0.3092000       4.736000 0.4770000       5.678000      0.3937000     -0.9418000      0.6185000
  1 1 1       9   12   33 o    2.082000      0.4765000       1.328000 0.6111000       2.836000      0.7312000      -1.508000      0.9529000
  1 1 1       9   12   34 o    3.934000      0.4109000       3.499000 0.6075000       4.369000      0.5536000     -0.8702000      0.8219000
  1 1 1       9   12   35 o    2.030000      0.6016000       2.044000 0.8397000       2.017000      0.8619000      0.2729000E-01   1.203000
  1 1 1       9   12   36 o    2.460000      0.5437000       2.459000 0.7211000       2.460000      0.8141000     -0.4764000E-03   1.087000
  1 1 1       9   13    0 o    20.67000      0.2896000       20.68000 0.4093000       20.66000      0.4098000      0.1614000E-01  0.5792000
  1 1 1       9   13    1 o    4.700000      0.1708000       4.886000 0.2465000       4.513000      0.2367000      0.3730000      0.3417000
  1 1 1       9   13    2 o    5.387000      0.1760000       5.402000 0.2259000       5.372000      0.2700000      0.3038000E-01  0.3520000
  1 1 1       9   13    3 o    13.04000      0.1948000       12.84000 0.2717000       13.24000      0.2793000     -0.4028000      0.3896000
  1 1 1       9   13    4 o    2.337000      0.2407000       2.389000 0.3266000       2.285000      0.3535000      0.1048000      0.4813000
  1 1 1       9   13    5 o    12.67000      0.2257000       12.99000 0.2673000       12.36000      0.3637000      0.6263000      0.4514000
  1 1 1       9   13    6 o    9.524000      0.1557000       9.526000 0.2150000       9.522000      0.2253000      0.3624000E-02  0.3114000
  1 1 1       9   13    7 o    6.806000      0.1470000       6.748000 0.1943000       6.864000      0.2207000     -0.1170000      0.2940000
  1 1 1       9   13    8 o    24.13000      0.3377000       24.17000 0.4701000       24.10000      0.4848000      0.7771000E-01  0.6753000
  1 1 1       9   13    9 o    10.05000      0.2575000       10.05000 0.2575000                  ?              ?              ?              ?
  1 1 1       9   13   10 o    21.40000      0.3390000       21.69000 0.4452000       21.11000      0.5113000      0.5829000      0.6780000
  1 1 1       9   13   11 o    5.045000      0.3378000                  ?       ?   5.045000      0.3378000                  ?              ?
  1 1 1       9   13   12 o    7.455000      0.2987000       7.465000 0.4723000       7.445000      0.3658000      0.1951000E-01  0.5974000
  1 1 1       9   13   13 o    9.927000      0.2403000       9.901000 0.3555000       9.953000      0.3236000     -0.5218000E-01  0.4807000
  1 1 1       9   13   14 f    4.269000      0.4318000       4.741000 0.4897000       3.797000      0.7113000      0.9440000      0.8636000
  1 1 1       9   13   15 o    11.83000      0.2512000       11.54000 0.3768000       12.12000      0.3324000     -0.5886000      0.5025000
  1 1 1       9   13   16 o    7.912000      0.2284000       7.881000 0.3281000       7.942000      0.3179000     -0.6047000E-01  0.4569000
  1 1 1       9   13   17 o    5.838000      0.2220000       5.665000 0.3174000       6.012000      0.3105000     -0.3470000      0.4441000
  1 1 1       9   13   18 o    6.950000      0.2144000       6.922000 0.3179000       6.978000      0.2878000     -0.5614000E-01  0.4288000
  1 1 1       9   13   19 o    1.513000      0.3995000       2.058000 0.6495000      0.9679000      0.4653000       1.090000      0.7990000
  1 1 1       9   13   20 o    13.05000      0.2309000       13.40000 0.3496000       12.70000      0.3019000      0.7021000      0.4619000
  1 1 1       9   13   21 o    4.138000      0.3095000       4.883000 0.3970000       3.392000      0.4750000       1.491000      0.6190000
  1 1 1       9   13   22 o    5.859000      0.2300000       5.576000 0.3506000       6.141000      0.2979000     -0.5646000      0.4601000
  1 1 1       9   13   23 o    8.758000      0.2006000       8.755000 0.2972000       8.760000      0.2695000     -0.5007000E-02  0.4012000
  1 1 1       9   13   24 o    9.971000      0.2065000       10.09000 0.3047000       9.851000      0.2789000      0.2401000      0.4131000
  1 1 1       9   13   25 o    2.174000      0.4492000       2.896000 0.6539000       1.453000      0.6162000       1.443000      0.8985000
  1 1 1       9   13   26 o    7.250000      0.2100000       7.168000 0.3049000       7.331000      0.2889000     -0.1632000      0.4201000
  1 1 1       9   13   27 o    9.620000      0.2080000       9.703000 0.3021000       9.538000      0.2859000      0.1652000      0.4159000
  1 1 1       9   13   28 f    2.697000      0.4696000       2.522000 0.7055000       2.873000      0.6200000     -0.3511000      0.9392000
  1 1 1       9   13   29 o    4.571000      0.3258000       4.477000 0.4785000       4.664000      0.4424000     -0.1872000      0.6517000
  1 1 1       9   13   30 o    7.142000      0.2432000       7.291000 0.3440000       6.992000      0.3440000      0.2998000      0.4865000
  1 1 1       9   13   31 o    4.760000      0.3293000       4.715000 0.4822000       4.806000      0.4485000     -0.9042000E-01  0.6585000
  1 1 1       9   13   32 o    3.393000      0.4699000       3.040000 0.7169000       3.746000      0.6078000     -0.7053000      0.9399000
  1 1 1       9   13   33 o    2.639000      0.6301000       2.807000 0.8715000       2.471000      0.9102000      0.3358000       1.260000
  1 1 1       9   13   34 o    2.323000      0.6178000       2.560000 0.8705000       2.086000      0.8770000      0.4743000       1.236000
  1 1 1       9   13   35 o    2.300000      0.5450000       2.696000 0.7716000       1.904000      0.7699000      0.7925000       1.090000
  1 1 1       9   14    0 o    15.20000      0.2244000       15.19000 0.3164000       15.21000      0.3181000     -0.2284000E-01  0.4487000
  1 1 1       9   14    1 o    7.044000      0.1541000       7.135000 0.2186000       6.953000      0.2174000      0.1824000      0.3082000
  1 1 1       9   14    2 o    4.327000      0.1727000       4.300000 0.2528000       4.353000      0.2352000     -0.5287000E-01  0.3453000
  1 1 1       9   14    3 o    4.393000      0.1547000       4.383000 0.2219000       4.404000      0.2156000     -0.2098000E-01  0.3094000
  1 1 1       9   14    4 o    10.28000      0.1646000       10.16000 0.2278000       10.39000      0.2377000     -0.2322000      0.3293000
  1 1 1       9   14    5 o    8.765000      0.1500000       8.953000 0.2103000       8.577000      0.2140000      0.3757000      0.3000000
  1 1 1       9   14    6 o    6.001000      0.1513000       5.941000 0.2016000       6.061000      0.2256000     -0.1193000      0.3026000
  1 1 1       9   14    7 o    7.610000      0.1578000       7.551000 0.2086000       7.670000      0.2369000     -0.1188000      0.3156000
  1 1 1       9   14    8 o    7.669000      0.1777000       7.404000 0.2306000       7.934000      0.2704000     -0.5296000      0.3554000
  1 1 1       9   14    9 o    11.16000      0.2219000       11.38000 0.2873000       10.93000      0.3384000      0.4512000      0.4439000
  1 1 1       9   14   10 o    19.00000      0.3164000       18.90000 0.4070000       19.10000      0.4846000     -0.1983000      0.6328000
  1 1 1       9   14   11 o    7.475000      0.3226000                  ?       ?   7.475000      0.3226000                  ?              ?
  1 1 1       9   14   12 o    7.048000      0.3457000       6.909000 0.5450000       7.188000      0.4254000     -0.2791000      0.6914000
  1 1 1       9   14   13 o    9.249000      0.2610000       9.204000 0.3861000       9.294000      0.3512000     -0.9005000E-01  0.5220000
  1 1 1       9   14   14 o    1.958000      0.5258000       2.646000 0.8455000       1.271000      0.6253000       1.375000       1.052000
  1 1 1       9   14   15 o    1.600000      0.4495000       1.951000 0.6786000       1.249000      0.5896000      0.7021000      0.8989000
  1 1 1       9   14   16 o    10.76000      0.2651000       10.42000 0.3590000       11.11000      0.3903000     -0.6865000      0.5303000
  1 1 1       9   14   17 o    8.585000      0.2254000       8.829000 0.3270000       8.341000      0.3102000      0.4885000      0.4507000
  1 1 1       9   14   18 o    9.482000      0.2307000       9.655000 0.3486000       9.309000      0.3023000      0.3462000      0.4614000
  1 1 1       9   14   19 o    1.643000      0.4439000       1.934000 0.6757000       1.352000      0.5760000      0.5819000      0.8879000
  1 1 1       9   14   20 o    1.624000      0.4485000       1.329000 0.6084000       1.918000      0.6591000     -0.5892000      0.8970000
  1 1 1       9   14   21 o    12.72000      0.2340000       13.03000 0.3508000       12.41000      0.3099000      0.6222000      0.4681000
  1 1 1       9   14   22 o    14.15000      0.2415000       13.95000 0.3513000       14.35000      0.3316000     -0.4061000      0.4831000
  1 1 1       9   14   23 o    1.691000      0.4717000       1.668000 0.6871000       1.715000      0.6466000     -0.4730000E-01  0.9435000
  1 1 1       9   14   24 o    5.444000      0.2637000       5.257000 0.4102000       5.631000      0.3313000     -0.3734000      0.5273000
  1 1 1       9   14   25 o    10.44000      0.2173000       10.46000 0.3215000       10.41000      0.2926000      0.5310000E-01  0.4347000
  1 1 1       9   14   26 o    7.877000      0.2255000       7.957000 0.3325000       7.798000      0.3046000      0.1590000      0.4509000
  1 1 1       9   14   27 o    2.730000      0.4728000       2.988000 0.6522000       2.471000      0.6848000      0.5172000      0.9457000
  1 1 1       9   14   28 o    3.204000      0.4255000       3.364000 0.6130000       3.044000      0.5902000      0.3196000      0.8509000
  1 1 1       9   14   29 f    5.494000      0.2853000       5.554000 0.4155000       5.434000      0.3911000      0.1191000      0.5706000
  1 1 1       9   14   30 o    2.280000      0.4982000       1.735000 0.7303000       2.825000      0.6779000      -1.090000      0.9965000
  1 1 1       9   14   31 o    2.985000      0.6070000       3.028000 0.8385000       2.941000      0.8779000      0.8732000E-01   1.214000
  1 1 1       9   14   32 o    5.099000      0.4512000       5.526000 0.5353000       4.672000      0.7263000      0.8534000      0.9023000
  1 1 1       9   14   33 o    2.964000      0.5403000       2.986000 0.7654000       2.943000      0.7630000      0.4321000E-01   1.081000
  1 1 1       9   14   34 o    3.162000      0.5176000       3.373000 0.6953000       2.950000      0.7670000      0.4235000       1.035000
  1 1 1       9   14   35 o    1.668000      0.5496000       1.627000 0.7648000       1.709000      0.7896000     -0.8177000E-01   1.099000
  1 1 1       9   15    0 o    13.12000      0.2020000       13.03000 0.2833000       13.22000      0.2880000     -0.1864000      0.4040000
  1 1 1       9   15    1 o    11.57000      0.1843000       11.63000 0.2613000       11.52000      0.2599000      0.1079000      0.3686000
  1 1 1       9   15    2 o    13.59000      0.2020000       13.81000 0.2881000       13.37000      0.2834000      0.4415000      0.4041000
  1 1 1       9   15    3 o    3.604000      0.1875000       3.921000 0.2429000       3.287000      0.2856000      0.6334000      0.3750000
  1 1 1       9   15    4 o    7.677000      0.1463000       7.494000 0.1994000       7.860000      0.2143000     -0.3658000      0.2927000
  1 1 1       9   15    5 o    17.25000      0.2442000       16.95000 0.3375000       17.56000      0.3530000     -0.6153000      0.4884000
  1 1 1       9   15    6 o    10.92000      0.1780000       10.99000 0.2438000       10.85000      0.2594000      0.1451000      0.3560000
  1 1 1       9   15    7 o    6.268000      0.1741000       6.208000 0.2316000       6.328000      0.2601000     -0.1198000      0.3483000
  1 1 1       9   15    8 o    3.329000      0.2542000       3.341000 0.3495000       3.317000      0.3693000      0.2452000E-01  0.5084000
  1 1 1       9   15    9 o    14.31000      0.2606000       15.01000 0.3440000       13.61000      0.3917000       1.400000      0.5213000
  1 1 1       9   15   10 o    8.587000      0.2275000       8.667000 0.3269000       8.506000      0.3166000      0.1610000      0.4551000
  1 1 1       9   15   11 o    4.046000      0.4533000       3.676000 0.7850000       4.417000      0.4534000     -0.7419000      0.9065000
  1 1 1       9   15   12 o    5.560000      0.4628000       5.316000 0.7778000       5.805000      0.5017000     -0.4894000      0.9256000
  1 1 1       9   15   13 o    2.793000      0.5990000       3.237000 0.8571000       2.349000      0.8371000      0.8887000       1.198000
  1 1 1       9   15   14 o    5.144000      0.4281000       5.059000 0.5652000       5.229000      0.6430000     -0.1700000      0.8561000
  1 1 1       9   15   15 o    4.348000      0.3506000       4.243000 0.4365000       4.454000      0.5488000     -0.2118000      0.7012000
  1 1 1       9   15   16 o    10.35000      0.2630000       10.64000 0.3870000       10.06000      0.3563000      0.5845000      0.5261000
  1 1 1       9   15   17 o    3.277000      0.3899000       3.194000 0.5822000       3.361000      0.5186000     -0.1670000      0.7797000
  1 1 1       9   15   18 o    2.304000      0.4801000       2.515000 0.6672000       2.094000      0.6905000      0.4209000      0.9602000
  1 1 1       9   15   19 o    5.323000      0.2639000       5.374000 0.3940000       5.272000      0.3512000      0.1019000      0.5278000
  1 1 1       9   15   20 o    6.940000      0.2389000       6.933000 0.3605000       6.948000      0.3136000     -0.1459000E-01  0.4778000
  1 1 1       9   15   21 o    11.35000      0.2335000       11.68000 0.3514000       11.02000      0.3076000      0.6587000      0.4670000
  1 1 1       9   15   22 o    8.247000      0.2387000       8.264000 0.3594000       8.230000      0.3143000      0.3469000E-01  0.4775000
  1 1 1       9   15   23 o    6.726000      0.2556000       6.682000 0.3913000       6.771000      0.3290000     -0.8959000E-01  0.5112000
  1 1 1       9   15   24 o    10.07000      0.2246000       10.10000 0.3330000       10.05000      0.3014000      0.4900000E-01  0.4492000
  1 1 1       9   15   25 o    9.062000      0.2254000       8.862000 0.3357000       9.261000      0.3009000     -0.3987000      0.4508000
  1 1 1       9   15   26 o    6.796000      0.2638000       6.854000 0.3942000       6.739000      0.3507000      0.1154000      0.5277000
  1 1 1       9   15   27 o    11.16000      0.2299000       11.31000 0.3327000       11.01000      0.3173000      0.2922000      0.4597000
  1 1 1       9   15   28 o    6.257000      0.3676000       6.149000 0.5092000       6.365000      0.5304000     -0.2156000      0.7353000
  1 1 1       9   15   29 o    2.501000      0.5948000       2.541000 0.8430000       2.461000      0.8393000      0.8046000E-01   1.190000
  1 1 1       9   15   30 o    1.987000      0.5268000       2.418000 0.8054000       1.557000      0.6792000      0.8608000       1.054000
  1 1 1       9   15   31 o    4.680000      0.3668000       4.577000 0.5535000       4.784000      0.4813000     -0.2065000      0.7335000
  1 1 1       9   15   32 o    8.486000      0.2528000       8.053000 0.3568000       8.918000      0.3584000     -0.8649000      0.5057000
  1 1 1       9   15   33 o    3.559000      0.6783000       2.976000 1.045000       4.142000      0.8650000      -1.165000       1.357000
  1 1 1       9   15   34 o    2.928000      0.6069000       4.181000 0.9228000       1.674000      0.7886000       2.507000       1.214000
  1 1 1       9   15   35 o    2.943000      0.5864000       2.977000 0.8103000       2.910000      0.8477000      0.6671000E-01   1.173000
  1 1 1       9   16    0 f    4.134000      0.1937000       3.842000 0.2792000       4.427000      0.2686000     -0.5856000      0.3874000
  1 1 1       9   16    1 o    11.06000      0.1790000       11.25000 0.2549000       10.87000      0.2513000      0.3859000      0.3580000
  1 1 1       9   16    2 o    6.838000      0.1512000       6.731000 0.2116000       6.944000      0.2159000     -0.2137000      0.3023000
  1 1 1       9   16    3 o    5.435000      0.1551000       5.466000 0.2078000       5.405000      0.2302000      0.6150000E-01  0.3101000
  1 1 1       9   16    4 o    6.711000      0.1500000       6.487000 0.2057000       6.934000      0.2183000     -0.4472000      0.3000000
  1 1 1       9   16    5 o    3.352000      0.2462000       3.741000 0.2714000       2.962000      0.4109000      0.7788000      0.4924000
  1 1 1       9   16    6 o    9.056000      0.2300000       8.807000 0.3359000       9.304000      0.3144000     -0.4977000      0.4601000
  1 1 1       9   16    7 f    3.670000      0.2440000       3.566000 0.3315000       3.774000      0.3581000     -0.2079000      0.4880000
  1 1 1       9   16    8 o    8.293000      0.1979000       8.178000 0.2601000       8.408000      0.2984000     -0.2299000      0.3958000
  1 1 1       9   16    9 o    15.02000      0.2780000       15.54000 0.3658000       14.51000      0.4187000       1.037000      0.5559000
  1 1 1       9   16   10 f    3.083000      0.4173000       3.017000 0.6681000       3.149000      0.5003000     -0.1327000      0.8346000
  1 1 1       9   16   11 o    2.602000      0.6114000       2.807000 0.9312000       2.397000      0.7926000      0.4100000       1.223000
  1 1 1       9   16   12 o    1.906000      0.5820000       1.583000 0.7755000       2.228000      0.8680000     -0.6451000       1.164000
  1 1 1       9   16   13 o    4.068000      0.4945000       3.947000 0.7479000       4.188000      0.6472000     -0.2412000      0.9891000
  1 1 1       9   16   14 o    7.433000      0.3645000       7.441000 0.4900000       7.424000      0.5397000      0.1666000E-01  0.7290000
  1 1 1       9   16   15 o    6.024000      0.3406000       6.595000 0.4363000       5.453000      0.5231000       1.143000      0.6812000
  1 1 1       9   16   16 o    7.257000      0.2846000       7.259000 0.3913000       7.255000      0.4133000      0.3628000E-02  0.5692000
  1 1 1       9   16   17 o    8.973000      0.2500000       8.939000 0.3663000       9.006000      0.3403000     -0.6760000E-01  0.5000000
  1 1 1       9   16   18 o    3.558000      0.3939000       3.125000 0.6302000       3.991000      0.4729000     -0.8661000      0.7879000
  1 1 1       9   16   19 o    6.577000      0.2573000       7.074000 0.3703000       6.079000      0.3574000      0.9949000      0.5146000
  1 1 1       9   16   20 o    5.514000      0.2802000       5.882000 0.4032000       5.147000      0.3891000      0.7350000      0.5603000
  1 1 1       9   16   21 o    6.948000      0.2551000       6.936000 0.3860000       6.961000      0.3336000     -0.2461000E-01  0.5102000
  1 1 1       9   16   22 o    2.988000      0.4846000       3.695000 0.6598000       2.281000      0.7098000       1.415000      0.9691000
  1 1 1       9   16   23 o    10.63000      0.2469000       10.36000 0.3734000       10.89000      0.3230000     -0.5328000      0.4937000
  1 1 1       9   16   24 o    16.70000      0.3266000       16.80000 0.5349000       16.60000      0.3750000      0.1958000      0.6533000
  1 1 1       9   16   25 o    8.752000      0.3613000       8.516000 0.5529000       8.987000      0.4653000     -0.4713000      0.7227000
  1 1 1       9   16   26 o    7.282000      0.3747000       7.276000 0.5644000       7.289000      0.4931000     -0.1273000E-01  0.7495000
  1 1 1       9   16   27 o    5.352000      0.4658000       5.534000 0.7006000       5.169000      0.6141000      0.3650000      0.9316000
  1 1 1       9   16   28 o    2.859000      0.5700000       2.855000 0.8737000       2.862000      0.7322000     -0.7077000E-02   1.140000
  1 1 1       9   16   29 f    2.103000      0.5771000       2.143000 0.8520000       2.063000      0.7787000      0.7991000E-01   1.154000
  1 1 1       9   16   30 o    2.090000      0.6455000       2.505000 1.030000       1.674000      0.7785000      0.8312000       1.291000
  1 1 1       9   16   31 o    2.687000      0.6961000       2.379000 1.016000       2.995000      0.9519000     -0.6164000       1.392000
  1 1 1       9   16   32 o    4.505000      0.4280000       4.414000 0.6386000       4.596000      0.5701000     -0.1819000      0.8560000
  1 1 1       9   16   33 o    2.852000      0.6087000       2.747000 0.8676000       2.957000      0.8540000     -0.2105000       1.217000
  1 1 1       9   16   34 o    3.082000      0.5575000       2.365000 0.8362000       3.800000      0.7377000      -1.436000       1.115000
  1 1 1       9   17    0 o    4.908000      0.1749000       4.907000 0.2446000       4.910000      0.2501000     -0.3215000E-02  0.3498000
  1 1 1       9   17    1 o    5.131000      0.1713000       5.153000 0.2305000       5.108000      0.2536000      0.4490000E-01  0.3427000
  1 1 1       9   17    2 o    4.960000      0.1716000       5.090000 0.2261000       4.830000      0.2582000      0.2605000      0.3432000
  1 1 1       9   17    3 o    1.108000      0.3324000       1.120000 0.4667000       1.096000      0.4735000      0.2403000E-01  0.6648000
  1 1 1       9   17    4 o    13.86000      0.2083000       13.94000 0.2909000       13.78000      0.2983000      0.1510000      0.4167000
  1 1 1       9   17    5 o    11.39000      0.2198000       11.15000 0.2498000       11.63000      0.3617000     -0.4755000      0.4396000
  1 1 1       9   17    6 o    6.504000      0.1832000       6.370000 0.2527000       6.639000      0.2654000     -0.2693000      0.3665000
  1 1 1       9   17    7 o    1.657000      0.3918000       1.459000 0.5384000       1.854000      0.5693000     -0.3948000      0.7836000
  1 1 1       9   17    8 o    1.449000      0.4169000       1.489000 0.5926000       1.409000      0.5865000      0.7968000E-01  0.8337000
  1 1 1       9   17    9 o    7.851000      0.2351000       8.199000 0.3431000       7.503000      0.3216000      0.6959000      0.4703000
  1 1 1       9   17   10 o    5.253000      0.4176000       5.253000 0.4176000                  ?              ?              ?              ?
  1 1 1       9   17   11 o    5.797000      0.3830000       6.226000 0.5721000       5.368000      0.5092000      0.8584000      0.7659000
  1 1 1       9   17   12 o    6.360000      0.5112000                  ?       ?   6.360000      0.5112000                  ?              ?
  1 1 1       9   17   13 o    4.976000      0.4249000       5.131000 0.6085000       4.820000      0.5932000      0.3103000      0.8498000
  1 1 1       9   17   14 o    8.454000      0.3930000       8.242000 0.5601000       8.665000      0.5514000     -0.4224000      0.7860000
  1 1 1       9   17   15 o    3.985000      0.5287000       3.774000 0.7132000       4.196000      0.7807000     -0.4227000       1.057000
  1 1 1       9   17   16 o    5.716000      0.3301000       5.686000 0.4463000       5.746000      0.4866000     -0.6057000E-01  0.6602000
  1 1 1       9   17   17 o    1.608000      0.4986000       1.615000 0.7038000       1.601000      0.7064000      0.1389000E-01  0.9972000
  1 1 1       9   17   18 o    8.717000      0.2516000       8.812000 0.3780000       8.622000      0.3322000      0.1894000      0.5033000
  1 1 1       9   17   19 o    4.368000      0.3654000       4.440000 0.5235000       4.296000      0.5099000      0.1441000      0.7308000
  1 1 1       9   17   20 o    8.913000      0.2541000       9.103000 0.3774000       8.723000      0.3403000      0.3804000      0.5082000
  1 1 1       9   17   21 f    1.966000      0.6264000       1.777000 0.7353000       2.155000       1.014000     -0.3783000       1.253000
  1 1 1       9   17   22 o    4.675000      0.8808000       4.362000 1.447000       4.987000       1.005000     -0.6252000       1.762000
  1 1 1       9   17   23 o    6.191000      0.7994000       5.566000 1.388000       6.816000      0.7932000      -1.250000       1.599000
  1 1 1       9   17   24 o    15.07000      0.4476000       14.74000 0.6853000       15.40000      0.5761000     -0.6617000      0.8953000
  1 1 1       9   17   25 o    6.500000      0.3091000       6.271000 0.4865000       6.729000      0.3815000     -0.4584000      0.6183000
  1 1 1       9   17   26 o    4.243000      0.4308000       3.812000 0.7326000       4.674000      0.4536000     -0.8616000      0.8616000
  1 1 1       9   17   27 o    1.889000      0.5301000       2.214000 0.8152000       1.565000      0.6778000      0.6491000       1.060000
  1 1 1       9   17   28 f    2.248000      0.6537000       2.587000 1.012000       1.908000      0.8272000      0.6789000       1.307000
  1 1 1       9   17   29 o    7.259000      0.4301000       7.332000 0.6593000       7.187000      0.5526000      0.1447000      0.8602000
  1 1 1       9   17   30 f    6.282000      0.3283000       6.514000 0.4667000       6.050000      0.4617000      0.4637000      0.6565000
  1 1 1       9   17   31 o    7.527000      0.3010000       7.442000 0.4370000       7.612000      0.4141000     -0.1693000      0.6020000
  1 1 1       9   17   32 o    2.509000      0.6122000       2.655000 0.8886000       2.363000      0.8423000      0.2916000       1.224000
  1 1 1       9   17   33 o    1.921000      0.5688000       1.767000 0.7755000       2.075000      0.8323000     -0.3079000       1.138000
  1 1 1       9   17   34 o    2.647000      0.6037000       2.882000 0.8559000       2.412000      0.8516000      0.4697000       1.207000
  1 1 1       9   18    0 o    7.231000      0.1646000       7.045000 0.2302000       7.416000      0.2352000     -0.3708000      0.3291000
  1 1 1       9   18    1 o    5.271000      0.1775000       5.232000 0.2452000       5.311000      0.2566000     -0.7894000E-01  0.3549000
  1 1 1       9   18    2 o    5.621000      0.1647000       5.665000 0.2214000       5.578000      0.2441000      0.8686000E-01  0.3295000
  1 1 1       9   18    3 o    1.830000      0.3822000       1.861000 0.4930000       1.800000      0.5842000      0.6094000E-01  0.7645000
  1 1 1       9   18    4 o    1.644000      0.3906000       1.415000 0.5250000       1.874000      0.5784000     -0.4592000      0.7811000
  1 1 1       9   18    5 f    5.958000      0.1810000       5.901000 0.2352000       6.014000      0.2752000     -0.1131000      0.3620000
  1 1 1       9   18    6 o    6.873000      0.1948000       6.999000 0.2618000       6.747000      0.2886000      0.2527000      0.3897000
  1 1 1       9   18    7 o    3.246000      0.2847000       3.045000 0.4010000       3.447000      0.4041000     -0.4027000      0.5693000
  1 1 1       9   18    8 o    2.753000      0.4266000       2.746000 0.5990000       2.760000      0.6077000     -0.1355000E-01  0.8533000
  1 1 1       9   18    9 o    1.712000      0.4698000       1.495000 0.6505000       1.929000      0.6781000     -0.4345000      0.9397000
  1 1 1       9   18   10 o    2.596000      0.8174000       2.596000 0.8174000                  ?              ?              ?              ?
  1 1 1       9   18   11 f    1.791000      0.5604000       1.822000 0.8320000       1.761000      0.7509000      0.6143000E-01   1.121000
  1 1 1       9   18   12 o    4.768000      0.6455000                  ?       ?   4.768000      0.6455000                  ?              ?
  1 1 1       9   18   13 o    5.036000      0.5033000       4.861000 0.7795000       5.212000      0.6369000     -0.3504000       1.007000
  1 1 1       9   18   14 o    7.745000      0.3951000       7.506000 0.5182000       7.984000      0.5965000     -0.4777000      0.7902000
  1 1 1       9   18   15 o    3.357000      0.6347000       3.774000 0.7940000       2.940000      0.9903000      0.8339000       1.269000
  1 1 1       9   18   16 o    4.121000      0.4615000       4.386000 0.5548000       3.855000      0.7377000      0.5314000      0.9230000
  1 1 1       9   18   17 o    4.311000       1.262000       5.227000 2.161000       3.395000       1.306000       1.832000       2.525000
  1 1 1       9   18   18 o    7.163000       1.164000       6.192000 2.123000       8.134000      0.9537000      -1.942000       2.328000
  1 1 1       9   18   19 o    5.845000       1.210000       6.044000 2.049000       5.646000       1.287000      0.3978000       2.420000
  1 1 1       9   18   20 o    4.570000       1.189000       4.869000 1.928000       4.271000       1.390000      0.5972000       2.377000
  1 1 1       9   18   21 o    6.723000      0.2829000       7.009000 0.4244000       6.437000      0.3741000      0.5724000      0.5657000
  1 1 1       9   18   22 o    2.948000      0.5301000       2.841000 0.8114000       3.055000      0.6824000     -0.2145000       1.060000
  1 1 1       9   18   23 o    5.135000      0.3623000       4.827000 0.5818000       5.444000      0.4318000     -0.6173000      0.7245000
  1 1 1       9   18   24 o    3.563000      0.5308000       4.415000 0.7122000       2.711000      0.7873000       1.704000       1.062000
  1 1 1       9   18   25 o    1.904000      0.5685000       2.325000 0.9045000       1.482000      0.6890000      0.8437000       1.137000
  1 1 1       9   18   26 o    2.556000      0.5739000       1.789000 0.8256000       3.323000      0.7973000      -1.535000       1.148000
  1 1 1       9   18   27 o    5.154000      0.3698000       5.436000 0.5400000       4.873000      0.5055000      0.5631000      0.7397000
  1 1 1       9   18   28 o    1.906000      0.5464000       1.502000 0.7139000       2.310000      0.8274000     -0.8074000       1.093000
  1 1 1       9   18   29 o    7.016000      0.3157000       6.987000 0.4748000       7.044000      0.4163000     -0.5615000E-01  0.6315000
  1 1 1       9   18   30 o    6.446000      0.3430000       6.463000 0.5086000       6.428000      0.4604000      0.3535000E-01  0.6860000
  1 1 1       9   18   31 o    7.169000      0.3317000       6.960000 0.5043000       7.377000      0.4311000     -0.4162000      0.6635000
  1 1 1       9   18   32 o    2.225000      0.6190000       2.155000 0.8809000       2.295000      0.8699000     -0.1397000       1.238000
  1 1 1       9   18   33 o    2.300000      0.6176000       2.327000 0.8662000       2.274000      0.8805000      0.5265000E-01   1.235000
  1 1 1       9   19    0 o    3.030000      0.4311000       3.452000 0.4440000       2.608000      0.7391000      0.8439000      0.8622000
  1 1 1       9   19    1 o    4.777000      0.2923000       4.834000 0.3749000       4.720000      0.4487000      0.1142000      0.5847000
  1 1 1       9   19    3 o    5.227000      0.2566000       5.019000 0.3443000       5.436000      0.3805000     -0.4164000      0.5131000
  1 1 1       9   19    4 o    4.647000      0.2545000       4.459000 0.3412000       4.835000      0.3777000     -0.3759000      0.5090000
  1 1 1       9   19    5 o    6.025000      0.2289000       6.242000 0.3210000       5.809000      0.3262000      0.4326000      0.4577000
  1 1 1       9   19    6 o    3.221000      0.3394000       3.475000 0.4050000       2.966000      0.5446000      0.5089000      0.6787000
  1 1 1       9   19    7 o    3.499000      0.3031000       3.550000 0.4107000       3.448000      0.4458000      0.1014000      0.6062000
  1 1 1       9   19    8 o    3.520000      0.3808000       3.695000 0.5554000       3.344000      0.5210000      0.3512000      0.7615000
  1 1 1       9   19    9 o    2.110000      0.5256000       2.390000 0.7817000       1.831000      0.7028000      0.5592000       1.051000
  1 1 1       9   19   10 o    1.813000      0.5076000       2.342000 0.8319000       1.285000      0.5817000       1.056000       1.015000
  1 1 1       9   19   11 o    5.804000      0.4874000       5.202000 0.8547000       6.406000      0.4688000      -1.205000      0.9748000
  1 1 1       9   19   12 o    5.973000      0.6626000                  ?       ?   5.973000      0.6626000                  ?              ?
  1 1 1       9   19   13 o    4.400000      0.8073000       4.989000 1.294000       3.810000      0.9656000       1.179000       1.615000
  1 1 1       9   19   14 o    6.442000      0.9991000       5.442000 1.837000       7.441000      0.7853000      -1.998000       1.998000
  1 1 1       9   19   15 o    6.232000       1.263000       5.965000 2.280000       6.499000       1.088000     -0.5341000       2.526000
  1 1 1       9   19   16 o    4.544000      0.4636000       5.140000 0.5661000       3.948000      0.7342000       1.192000      0.9272000
  1 1 1       9   19   17 o    3.916000      0.5125000       3.658000 0.7475000       4.174000      0.7014000     -0.5153000       1.025000
  1 1 1       9   19   18 o    4.523000      0.4033000       4.684000 0.5691000       4.362000      0.5715000      0.3215000      0.8065000
  1 1 1       9   19   19 o    7.270000      0.2954000       6.881000 0.4451000       7.659000      0.3886000     -0.7778000      0.5908000
  1 1 1       9   19   20 o    1.933000      0.5393000       1.687000 0.7427000       2.178000      0.7820000     -0.4906000       1.079000
  1 1 1       9   19   21 o    3.529000      0.5031000       3.461000 0.7872000       3.598000      0.6266000     -0.1365000       1.006000
  1 1 1       9   19   22 o    3.537000      0.4996000       3.874000 0.6964000       3.199000      0.7164000      0.6754000      0.9991000
  1 1 1       9   19   23 o    2.566000      0.5665000       3.280000 0.8363000       1.852000      0.7643000       1.428000       1.133000
  1 1 1       9   19   24 o    3.159000      0.5716000       2.975000 0.8942000       3.342000      0.7123000     -0.3671000       1.143000
  1 1 1       9   19   25 o    4.291000      0.4521000       4.075000 0.7191000       4.506000      0.5483000     -0.4312000      0.9043000
  1 1 1       9   19   26 o    5.128000      0.4154000       5.879000 0.5755000       4.378000      0.5993000       1.500000      0.8309000
  1 1 1       9   19   27 o    2.590000      0.6106000       2.330000 0.9017000       2.850000      0.8236000     -0.5194000       1.221000
  1 1 1       9   19   28 o    4.902000      0.4240000       4.940000 0.6434000       4.864000      0.5525000      0.7533000E-01  0.8480000
  1 1 1       9   19   29 o    2.257000      0.6092000       2.528000 0.9085000       1.986000      0.8119000      0.5416000       1.218000
  1 1 1       9   19   30 o    2.889000      0.6366000       2.628000 0.9401000       3.150000      0.8586000     -0.5217000       1.273000
  1 1 1       9   19   31 o    2.371000      0.6240000       2.776000 0.9386000       1.965000      0.8225000      0.8110000       1.248000
  1 1 1       9   19   32 o    2.787000      0.6262000       3.430000 0.8997000       2.144000      0.8711000       1.286000       1.252000
  1 1 1       9   19   33 o    2.156000      0.6094000       1.775000 0.8005000       2.538000      0.9191000     -0.7638000       1.219000
  1 1 1       9   20    0 o    5.528000      0.1787000       5.112000 0.2484000       5.944000      0.2570000     -0.8321000      0.3574000
  1 1 1       9   20    1 f    6.261000      0.1706000       6.399000 0.2342000       6.122000      0.2480000      0.2766000      0.3411000
  1 1 1       9   20    2 o    7.622000      0.2191000       7.862000 0.2380000       7.382000      0.3679000      0.4801000      0.4382000
  1 1 1       9   20    3 o    1.400000      0.3645000       1.689000 0.5200000       1.112000      0.5110000      0.5769000      0.7291000
  1 1 1       9   20    4 o    5.538000      0.1959000       5.448000 0.2605000       5.629000      0.2927000     -0.1803000      0.3918000
  1 1 1       9   20    5 o    8.422000      0.2070000       8.878000 0.2709000       7.965000      0.3132000      0.9121000      0.4140000
  1 1 1       9   20    6 f    1.920000      0.4473000       1.830000 0.6074000       2.009000      0.6568000     -0.1787000      0.8946000
  1 1 1       9   20    7 o    1.763000      0.4351000       2.050000 0.6264000       1.475000      0.6041000      0.5753000      0.8703000
  1 1 1       9   20    8 o    1.779000      0.4776000       1.829000 0.6928000       1.729000      0.6577000      0.9962000E-01  0.9553000
  1 1 1       9   20    9 o    1.852000      0.4835000       1.487000 0.6630000       2.217000      0.7038000     -0.7306000      0.9669000
  1 1 1       9   20   10 o    4.842000      0.3541000       5.144000 0.5101000       4.540000      0.4912000      0.6038000      0.7082000
  1 1 1       9   20   11 o    5.369000      0.4971000       4.919000 0.8084000       5.819000      0.5785000     -0.9001000      0.9941000
  1 1 1       9   20   12 o    3.446000      0.7484000       3.890000 1.120000       3.003000      0.9930000      0.8864000       1.497000
  1 1 1       9   20   13 o    2.614000      0.7013000       2.426000 1.003000       2.801000      0.9808000     -0.3750000       1.403000
  1 1 1       9   20   14 f    4.965000      0.6151000       4.557000 0.9231000       5.373000      0.8131000     -0.8161000       1.230000
  1 1 1       9   20   15 o    4.519000      0.5822000       5.793000 0.6335000       3.244000      0.9769000       2.549000       1.164000
  1 1 1       9   20   16 o    3.292000      0.6174000       3.606000 0.7680000       2.978000      0.9668000      0.6281000       1.235000
  1 1 1       9   20   17 o    2.582000      0.6454000       2.918000 0.8985000       2.246000      0.9266000      0.6715000       1.291000
  1 1 1       9   20   18 o    14.05000      0.3369000       14.63000 0.4872000       13.46000      0.4655000       1.178000      0.6739000
  1 1 1       9   20   19 o    9.088000      0.3004000       9.417000 0.4229000       8.759000      0.4269000      0.6582000      0.6009000
  1 1 1       9   20   20 o    3.022000      0.5625000       2.681000 0.8496000       3.363000      0.7375000     -0.6820000       1.125000
  1 1 1       9   20   21 o    3.669000      0.4773000       4.062000 0.6380000       3.275000      0.7101000      0.7862000      0.9547000
  1 1 1       9   20   22 o    1.724000      0.5199000       1.736000 0.7520000       1.712000      0.7180000      0.2308000E-01   1.040000
  1 1 1       9   20   23 o    2.311000      0.5829000       2.167000 0.8430000       2.456000      0.8054000     -0.2893000       1.166000
  1 1 1       9   20   24 o    2.799000      0.6064000       3.108000 0.9030000       2.490000      0.8098000      0.6170000       1.213000
  1 1 1       9   20   25 o    4.690000      0.4593000       4.227000 0.7664000       5.152000      0.5066000     -0.9242000      0.9187000
  1 1 1       9   20   26 o    2.567000      0.6109000       3.163000 0.9243000       1.972000      0.7991000       1.190000       1.222000
  1 1 1       9   20   27 o    5.917000      0.4105000       5.358000 0.6749000       6.477000      0.4674000      -1.118000      0.8210000
  1 1 1       9   20   28 o    2.992000      0.5089000       1.661000 0.7717000       4.324000      0.6636000      -2.663000       1.018000
  1 1 1       9   20   29 o    2.568000      0.6298000       2.490000 0.9157000       2.647000      0.8649000     -0.1569000       1.260000
  1 1 1       9   20   30 o    4.931000      0.4953000       4.194000 0.8278000       5.667000      0.5441000      -1.473000      0.9906000
  1 1 1       9   20   31 o    1.644000      0.5378000       1.872000 0.8352000       1.415000      0.6779000      0.4565000       1.076000
  1 1 1       9   20   32 o    3.954000      0.5937000       3.331000 0.9256000       4.576000      0.7437000      -1.245000       1.187000
  1 1 1       9   21    0 o    4.624000      0.2648000       4.245000 0.3891000       5.004000      0.3593000     -0.7593000      0.5297000
  1 1 1       9   21    1 o    4.660000      0.3044000       4.816000 0.4119000       4.504000      0.4484000      0.3113000      0.6089000
  1 1 1       9   21    2 o    5.876000      0.3012000       5.969000 0.3937000       5.783000      0.4561000      0.1858000      0.6025000
  1 1 1       9   21    3 o    3.219000      0.5081000       2.896000 0.7045000       3.542000      0.7323000     -0.6456000       1.016000
  1 1 1       9   21    4 o    4.008000      0.6276000       3.612000 0.7954000       4.404000      0.9710000     -0.7921000       1.255000
  1 1 1       9   21    5 o    2.560000      0.7665000       1.992000 0.8485000       3.128000       1.277000      -1.135000       1.533000
  1 1 1       9   21    6 o    3.563000      0.7267000       4.353000 0.8537000       2.773000       1.176000       1.580000       1.453000
  1 1 1       9   21    7 o    2.877000      0.7949000       3.380000 1.191000       2.375000       1.053000       1.004000       1.590000
  1 1 1       9   21    8 o    3.168000      0.9264000       3.424000 1.302000       2.912000       1.318000      0.5124000       1.853000
  1 1 1       9   21    9 o    3.840000       1.090000       2.077000 1.002000       5.603000       1.935000      -3.526000       2.179000
  1 1 1       9   21   10 o    5.094000      0.9101000       6.966000 1.086000       3.223000       1.461000       3.743000       1.820000
  1 1 1       9   21   11 o    3.955000      0.9716000       5.020000 1.395000       2.889000       1.353000       2.131000       1.943000
  1 1 1       9   21   12 o    3.937000       1.101000       3.056000 1.242000       4.817000       1.819000      -1.761000       2.203000
  1 1 1       9   21   13 o    3.325000      0.8802000       3.201000 1.036000       3.450000       1.424000     -0.2490000       1.760000
  1 1 1       9   21   14 o    5.453000      0.5912000       5.814000 0.7998000       5.093000      0.8708000      0.7208000       1.182000
  1 1 1       9   21   15 o    4.709000      0.6325000       5.118000 0.7650000       4.300000       1.007000      0.8171000       1.265000
  1 1 1       9   21   16 f    2.993000      0.6521000       3.346000 0.8922000       2.640000      0.9511000      0.7058000       1.304000
  1 1 1       9   21   17 o    5.182000      0.4879000       5.865000 0.5709000       4.499000      0.7912000       1.367000      0.9757000
  1 1 1       9   21   18 f    9.755000      0.3171000       10.29000 0.4566000       9.219000      0.4400000       1.071000      0.6341000
  1 1 1       9   21   19 o    3.386000      0.5366000       4.105000 0.6586000       2.668000      0.8475000       1.438000       1.073000
  1 1 1       9   21   20 o    6.946000      0.3147000       6.493000 0.4568000       7.399000      0.4329000     -0.9065000      0.6294000
  1 1 1       9   21   21 o    2.504000      0.5931000       2.595000 0.8553000       2.414000      0.8217000      0.1809000       1.186000
  1 1 1       9   21   22 o    2.765000      0.5358000       3.596000 0.7427000       1.933000      0.7726000       1.662000       1.072000
  1 1 1       9   21   23 o    2.321000      0.5580000       3.060000 0.8625000       1.583000      0.7083000       1.477000       1.116000
  1 1 1       9   21   24 o    5.524000      0.3798000       5.701000 0.5666000       5.347000      0.5058000      0.3538000      0.7595000
  1 1 1       9   21   25 f    1.819000      0.5604000       1.797000 0.8081000       1.840000      0.7768000     -0.4337000E-01   1.121000
  1 1 1       9   21   26 o    2.992000      0.5912000       2.171000 0.9048000       3.813000      0.7612000      -1.641000       1.182000
  1 1 1       9   21   27 o    2.522000      0.6645000       2.524000 0.9748000       2.519000      0.9034000      0.5387000E-02   1.329000
  1 1 1       9   21   28 f    1.851000      0.5819000       2.077000 0.8955000       1.625000      0.7431000      0.4525000       1.164000
  1 1 1       9   21   29 f    2.597000      0.6460000       3.228000 0.9901000       1.967000      0.8301000       1.261000       1.292000
  1 1 1       9   21   30 o    2.644000      0.6742000       2.575000 0.9893000       2.713000      0.9163000     -0.1383000       1.348000
  1 1 1       9   21   31 o    3.500000      0.6276000       3.911000 0.8744000       3.090000      0.9006000      0.8209000       1.255000
  1 1 1       9   22    0 o    2.508000      0.3713000       2.024000 0.5675000       2.991000      0.4791000     -0.9676000      0.7427000
  1 1 1       9   22    1 o    4.964000      0.2187000       4.726000 0.2965000       5.202000      0.3215000     -0.4761000      0.4373000
  1 1 1       9   22    2 o    2.673000      0.3732000       2.750000 0.4559000       2.596000      0.5910000      0.1538000      0.7463000
  1 1 1       9   22    3 o    1.054000      0.3534000      0.9768000 0.4666000       1.131000      0.5308000     -0.1541000      0.7068000
  1 1 1       9   22    4 o    8.240000      0.2155000       8.676000 0.2839000       7.803000      0.3244000      0.8728000      0.4311000
  1 1 1       9   22    5 o    3.600000      0.3282000       3.013000 0.5085000       4.187000      0.4152000      -1.174000      0.6564000
  1 1 1       9   22    6 o    3.268000      0.3580000       3.270000 0.4916000       3.266000      0.5205000      0.4049000E-02  0.7160000
  1 1 1       9   22    7 o    4.543000      0.3256000       4.909000 0.4302000       4.178000      0.4890000      0.7318000      0.6513000
  1 1 1       9   22    8 o    5.417000      0.3362000       5.562000 0.4915000       5.273000      0.4587000      0.2891000      0.6723000
  1 1 1       9   22    9 o    3.386000      0.5443000       3.600000 0.7498000       3.171000      0.7892000      0.4289000       1.089000
  1 1 1       9   22   10 o    2.274000      0.5418000       1.505000 0.7090000       3.044000      0.8195000      -1.539000       1.084000
  1 1 1       9   22   11 o    7.096000      0.6477000       7.096000 0.6477000                  ?              ?              ?              ?
  1 1 1       9   22   12 o    6.406000      0.5546000       6.243000 0.8676000       6.568000      0.6910000     -0.3254000       1.109000
  1 1 1       9   22   13 o    3.721000       1.016000                  ?       ?   3.721000       1.016000                  ?              ?
  1 1 1       9   22   14 o    12.17000      0.3871000       12.93000 0.5910000       11.42000      0.5001000       1.510000      0.7742000
  1 1 1       9   22   15 o    7.118000      0.4838000       7.282000 0.6412000       6.954000      0.7247000      0.3278000      0.9676000
  1 1 1       9   22   16 o    6.484000      0.4044000       6.853000 0.4757000       6.116000      0.6540000      0.7368000      0.8088000
  1 1 1       9   22   17 o    2.221000      0.6336000       1.907000 0.8234000       2.535000      0.9631000     -0.6277000       1.267000
  1 1 1       9   22   18 o    4.769000      0.4707000       4.432000 0.7252000       5.107000      0.6003000     -0.6749000      0.9414000
  1 1 1       9   22   19 o    3.677000      0.5532000       4.005000 0.7362000       3.349000      0.8258000      0.6558000       1.106000
  1 1 1       9   22   20 o    8.549000      0.3117000       9.281000 0.4631000       7.818000      0.4173000       1.463000      0.6234000
  1 1 1       9   22   21 o    6.834000      0.3533000       6.977000 0.5403000       6.692000      0.4553000      0.2851000      0.7066000
  1 1 1       9   22   22 o    6.020000      0.3778000       6.304000 0.5715000       5.735000      0.4942000      0.5690000      0.7555000
  1 1 1       9   22   23 o    3.178000      0.5540000       2.422000 0.8867000       3.934000      0.6644000      -1.512000       1.108000
  1 1 1       9   22   24 o    3.351000      0.6014000       3.050000 0.9392000       3.652000      0.7514000     -0.6021000       1.203000
  1 1 1       9   22   25 o    2.826000      0.5897000       1.948000 0.8667000       3.704000      0.7998000      -1.756000       1.179000
  1 1 1       9   22   26 o    2.222000      0.6102000       1.769000 0.8270000       2.676000      0.8973000     -0.9071000       1.220000
  1 1 1       9   22   27 o    3.922000      0.6126000       3.091000 1.023000       4.754000      0.6747000      -1.664000       1.225000
  1 1 1       9   22   28 o    3.076000      0.6693000       3.838000 0.9890000       2.314000      0.9021000       1.524000       1.339000
  1 1 1       9   22   29 o    2.275000      0.6530000       2.136000 0.9309000       2.414000      0.9160000     -0.2775000       1.306000
  1 1 1       9   22   30 o    2.487000      0.6617000       3.170000 1.042000       1.804000      0.8162000       1.367000       1.323000
  1 1 1       9   22   31 o    2.881000      0.6932000       3.367000 1.005000       2.396000      0.9554000      0.9701000       1.386000
  1 1 1       9   23    0 o    9.243000      0.2003000       9.405000 0.2642000       9.081000      0.3011000      0.3246000      0.4006000
  1 1 1       9   23    1 o    2.531000      0.4316000       2.680000 0.5083000       2.383000      0.6976000      0.2967000      0.8631000
  1 1 1       9   23    2 o    1.890000      0.4334000       2.297000 0.5772000       1.482000      0.6467000      0.8154000      0.8668000
  1 1 1       9   23    3 o    2.010000      0.4845000       1.645000 0.6408000       2.376000      0.7269000     -0.7308000      0.9690000
  1 1 1       9   23    4 o    5.895000      0.2549000       5.790000 0.3377000       6.000000      0.3820000     -0.2094000      0.5098000
  1 1 1       9   23    5 o    3.256000      0.4078000       2.994000 0.5625000       3.518000      0.5906000     -0.5238000      0.8156000
  1 1 1       9   23    6 o    3.246000      0.4621000       2.911000 0.6554000       3.581000      0.6517000     -0.6698000      0.9242000
  1 1 1       9   23    7 o    6.468000      0.3039000       6.722000 0.4168000       6.215000      0.4425000      0.5068000      0.6079000
  1 1 1       9   23    8 o    3.000000      0.5820000       3.083000 0.8141000       2.917000      0.8321000      0.1652000       1.164000
  1 1 1       9   23    9 o    7.271000      0.3334000       6.895000 0.4963000       7.648000      0.4454000     -0.7531000      0.6668000
  1 1 1       9   23   10 o    10.04000      0.3087000       9.727000 0.4392000       10.35000      0.4340000     -0.6225000      0.6175000
  1 1 1       9   23   11 o    3.713000       1.114000       3.713000 1.114000                  ?              ?              ?              ?
  1 1 1       9   23   12 o    2.696000      0.7521000       2.516000 1.099000       2.876000       1.027000     -0.3598000       1.504000
  1 1 1       9   23   13 o    4.432000      0.9946000                  ?       ?   4.432000      0.9946000                  ?              ?
  1 1 1       9   23   14 o    4.307000      0.7194000       4.810000 0.9626000       3.805000       1.069000       1.005000       1.439000
  1 1 1       9   23   15 o    5.690000      0.6228000       4.099000 1.003000       7.281000      0.7389000      -3.182000       1.246000
  1 1 1       9   23   16 o    2.705000      0.6430000       3.186000 0.8738000       2.223000      0.9435000      0.9637000       1.286000
  1 1 1       9   23   17 o    4.183000      0.5826000       3.722000 0.8181000       4.645000      0.8297000     -0.9237000       1.165000
  1 1 1       9   23   18 o    3.807000      0.8195000       4.094000 0.7935000       3.519000       1.434000      0.5754000       1.639000
  1 1 1       9   23   19 o    2.108000      0.5722000       2.627000 0.8838000       1.588000      0.7270000       1.038000       1.144000
  1 1 1       9   23   20 o    6.216000      0.3571000       6.080000 0.5214000       6.352000      0.4882000     -0.2713000      0.7143000
  1 1 1       9   23   21 o    4.093000      0.5384000       3.646000 0.8522000       4.541000      0.6582000     -0.8948000       1.077000
  1 1 1       9   23   22 o    2.504000      0.6101000       2.195000 0.8828000       2.814000      0.8423000     -0.6190000       1.220000
  1 1 1       9   23   23 o    2.917000      0.6015000       3.573000 0.8560000       2.261000      0.8452000       1.312000       1.203000
  1 1 1       9   23   24 o    3.764000      0.5649000       2.428000 0.9369000       5.100000      0.6314000      -2.671000       1.130000
  1 1 1       9   23   25 o    3.841000      0.6444000       3.973000 0.9510000       3.709000      0.8697000      0.2640000       1.289000
  1 1 1       9   23   26 o    2.441000      0.6588000       2.172000 0.9291000       2.711000      0.9342000     -0.5383000       1.318000
  1 1 1       9   23   27 o    2.612000      0.6901000       2.707000 1.006000       2.518000      0.9449000      0.1884000       1.380000
  1 1 1       9   23   28 o    2.267000      0.6615000       2.594000 1.012000       1.940000      0.8521000      0.6532000       1.323000
  1 1 1       9   23   29 o    1.871000      0.5991000       1.893000 0.8690000       1.849000      0.8249000      0.4390000E-01   1.198000
  1 1 1       9   23   30 o    2.150000      0.6541000       2.333000 0.9790000       1.968000      0.8677000      0.3649000       1.308000
  1 1 1       9   24    0 o    2.373000      0.4757000       2.424000 0.6129000       2.322000      0.7276000      0.1014000      0.9514000
  1 1 1       9   24    1 o    11.57000      0.2575000       11.40000 0.2814000       11.74000      0.4313000     -0.3349000      0.5150000
  1 1 1       9   24    2 o    2.884000      0.4563000       3.156000 0.5346000       2.612000      0.7397000      0.5439000      0.9127000
  1 1 1       9   24    3 o    6.838000      0.5778000       6.473000 0.3289000       7.203000       1.108000     -0.7308000       1.156000
  1 1 1       9   24    4 o    5.090000      0.3005000       5.169000 0.3974000       5.010000      0.4509000      0.1586000      0.6010000
  1 1 1       9   24    5 o    7.830000      0.2667000       7.674000 0.3737000       7.987000      0.3805000     -0.3126000      0.5334000
  1 1 1       9   24    6 o    5.141000      0.3079000       5.450000 0.4067000       4.832000      0.4624000      0.6187000      0.6158000
  1 1 1       9   24    7 o    8.473000      0.2856000       8.314000 0.3995000       8.633000      0.4083000     -0.3194000      0.5712000
  1 1 1       9   24    8 o    4.904000      0.4120000       5.141000 0.6045000       4.668000      0.5601000      0.4734000      0.8241000
  1 1 1       9   24    9 o    5.580000      0.3970000       5.851000 0.5701000       5.309000      0.5526000      0.5424000      0.7940000
  1 1 1       9   24   10 o    7.932000      0.3349000       7.728000 0.4929000       8.136000      0.4535000     -0.4079000      0.6698000
  1 1 1       9   24   11 o    3.176000      0.9334000       3.361000 1.167000       2.991000       1.457000      0.3691000       1.867000
  1 1 1       9   24   12 f    3.300000      0.8399000       3.498000 1.241000       3.103000       1.132000      0.3945000       1.680000
  1 1 1       9   24   13 o    6.688000      0.5615000       6.487000 0.8639000       6.889000      0.7177000     -0.4017000       1.123000
  1 1 1       9   24   14 o    4.031000      0.7301000       5.248000 0.9427000       2.814000       1.115000       2.434000       1.460000
  1 1 1       9   24   15 o    3.275000      0.7497000       3.946000 1.018000       2.604000       1.101000       1.342000       1.499000
  1 1 1       9   24   16 o    2.716000      0.6930000       2.836000 0.9603000       2.595000      0.9994000      0.2415000       1.386000
  1 1 1       9   24   17 o    2.761000      0.6747000       2.271000 0.9087000       3.250000      0.9975000     -0.9782000       1.349000
  1 1 1       9   24   18 o    5.806000      0.4856000       6.515000 0.6441000       5.096000      0.7267000       1.419000      0.9711000
  1 1 1       9   24   19 o    3.202000      0.6128000       2.788000 0.9366000       3.617000      0.7905000     -0.8293000       1.226000
  1 1 1       9   24   20 o    2.255000      0.6385000       2.126000 0.9089000       2.384000      0.8969000     -0.2585000       1.277000
  1 1 1       9   24   21 o    2.749000      0.6124000       2.075000 0.8808000       3.422000      0.8511000      -1.347000       1.225000
  1 1 1       9   24   22 f    2.233000      0.6250000       2.157000 0.8964000       2.310000      0.8712000     -0.1528000       1.250000
  1 1 1       9   24   23 o    2.495000      0.6441000       2.380000 0.9387000       2.610000      0.8824000     -0.2302000       1.288000
  1 1 1       9   24   24 o    4.490000      0.5457000       4.779000 0.7936000       4.200000      0.7492000      0.5784000       1.091000
  1 1 1       9   24   25 o    2.485000      0.6398000       3.259000 1.015000       1.711000      0.7789000       1.549000       1.280000
  1 1 1       9   24   26 o    2.501000      0.7031000       2.440000 0.9995000       2.562000      0.9890000     -0.1224000       1.406000
  1 1 1       9   24   27 f    3.491000      0.6755000       2.870000 1.037000       4.112000      0.8655000      -1.242000       1.351000
  1 1 1       9   24   28 o    2.529000      0.6575000       3.266000 1.027000       1.792000      0.8214000       1.474000       1.315000
  1 1 1       9   24   29 f    2.292000      0.7303000       1.982000 0.8737000       2.601000       1.171000     -0.6194000       1.461000
  1 1 1       9   25    0 o    7.853000      0.2204000       8.456000 0.2785000       7.249000      0.3418000       1.207000      0.4409000
  1 1 1       9   25    1 o    8.113000      0.2282000       8.375000 0.2861000       7.852000      0.3555000      0.5226000      0.4563000
  1 1 1       9   25    2 o    6.755000      0.2557000       6.725000 0.3251000       6.786000      0.3948000     -0.6062000E-01  0.5114000
  1 1 1       9   25    3 o    8.363000      0.2540000       8.370000 0.3306000       8.355000      0.3857000      0.1479000E-01  0.5080000
  1 1 1       9   25    4 o    2.355000      0.5361000       2.180000 0.7342000       2.529000      0.7814000     -0.3486000       1.072000
  1 1 1       9   25    5 o    5.136000      0.3215000       5.195000 0.4074000       5.076000      0.4975000      0.1198000      0.6430000
  1 1 1       9   25    6 o    2.871000      0.5019000       1.940000 0.7569000       3.801000      0.6593000      -1.861000       1.004000
  1 1 1       9   25    7 o    8.074000      0.2932000       7.967000 0.4143000       8.181000      0.4149000     -0.2137000      0.5864000
  1 1 1       9   25    8 o    2.205000      0.6048000       2.273000 0.8846000       2.136000      0.8249000      0.1374000       1.210000
  1 1 1       9   25    9 o    6.807000      0.3326000       7.295000 0.4575000       6.319000      0.4828000      0.9761000      0.6652000
  1 1 1       9   25   10 o    5.582000      0.4359000       5.546000 0.6418000       5.618000      0.5900000     -0.7158000E-01  0.8718000
  1 1 1       9   25   11 o    7.537000      0.4715000       8.357000 0.6017000       6.716000      0.7260000       1.641000      0.9429000
  1 1 1       9   25   12 o    2.851000      0.8197000       3.008000 1.213000       2.693000       1.103000      0.3153000       1.639000
  1 1 1       9   25   13 o    2.992000      0.7363000       2.285000 1.011000       3.700000       1.071000      -1.415000       1.473000
  1 1 1       9   25   14 o    4.416000      0.7014000       5.016000 0.9811000       3.817000       1.003000       1.199000       1.403000
  1 1 1       9   25   15 f    5.215000      0.6360000       5.162000 0.8893000       5.269000      0.9094000     -0.1067000       1.272000
  1 1 1       9   25   16 o    3.771000      0.6520000       4.570000 0.8025000       2.972000       1.028000       1.598000       1.304000
  1 1 1       9   25   17 o    2.313000      0.6475000       1.695000 0.7923000       2.931000       1.024000      -1.237000       1.295000
  1 1 1       9   25   18 o    2.075000      0.6312000       2.300000 0.9313000       1.850000      0.8522000      0.4495000       1.262000
  1 1 1       9   25   19 o    3.926000      0.6249000       4.837000 0.7642000       3.015000      0.9890000       1.822000       1.250000
  1 1 1       9   25   20 f    2.811000      0.6683000       3.156000 0.9767000       2.467000      0.9125000      0.6886000       1.337000
  1 1 1       9   25   21 o    6.406000      0.4089000       5.871000 0.6324000       6.942000      0.5184000      -1.070000      0.8177000
  1 1 1       9   25   22 o    2.760000      0.6709000       2.770000 0.9604000       2.751000      0.9370000      0.1905000E-01   1.342000
  1 1 1       9   25   23 o    3.166000      0.6755000       2.998000 1.011000       3.333000      0.8966000     -0.3353000       1.351000
  1 1 1       9   25   24 o    2.324000      0.6485000       2.025000 0.9040000       2.623000      0.9299000     -0.5987000       1.297000
  1 1 1       9   25   25 o    1.859000      0.5812000       1.633000 0.7819000       2.086000      0.8600000     -0.4535000       1.162000
  1 1 1       9   25   26 o    3.598000      0.9761000       3.182000 1.352000       4.013000       1.409000     -0.8309000       1.952000
  1 1 1       9   25   27 o    2.068000       1.009000       2.068000 1.009000                  ?              ?              ?              ?
  1 1 1       9   25   28 o    2.861000      0.7776000       2.749000 1.213000       2.973000      0.9729000     -0.2244000       1.555000
  1 1 1       9   26    0 o    5.298000      0.3439000       4.976000 0.3598000       5.621000      0.5862000     -0.6452000      0.6878000
  1 1 1       9   26    1 o    1.670000      0.5026000       1.481000 0.6414000       1.859000      0.7739000     -0.3786000       1.005000
  1 1 1       9   26    2 o    6.764000      0.2750000       6.422000 0.3357000       7.106000      0.4356000     -0.6843000      0.5499000
  1 1 1       9   26    3 o    2.949000      0.4902000       2.059000 0.7316000       3.839000      0.6525000      -1.780000      0.9803000
  1 1 1       9   26    4 o    5.201000      0.3219000       5.351000 0.4036000       5.051000      0.5016000      0.3004000      0.6438000
  1 1 1       9   26    5 o    6.659000      0.2916000       7.181000 0.3796000       6.138000      0.4429000       1.043000      0.5833000
  1 1 1       9   26    6 o    2.492000      0.5552000       2.848000 0.7694000       2.135000      0.8008000      0.7125000       1.110000
  1 1 1       9   26    7 o    4.837000      0.3918000       5.328000 0.5440000       4.345000      0.5641000      0.9830000      0.7837000
  1 1 1       9   26    8 o    2.480000      0.6231000       2.155000 0.8897000       2.804000      0.8726000     -0.6485000       1.246000
  1 1 1       9   26    9 o    7.076000      0.3360000       7.408000 0.4682000       6.745000      0.4821000      0.6631000      0.6720000
  1 1 1       9   26   10 o    3.367000      0.6203000       3.228000 0.9366000       3.505000      0.8135000     -0.2778000       1.241000
  1 1 1       9   26   11 o    4.332000      0.6606000       5.156000 0.9290000       3.508000      0.9394000       1.648000       1.321000
  1 1 1       9   26   12 o    3.325000      0.6772000       4.859000 1.055000       1.791000      0.8497000       3.068000       1.354000
  1 1 1       9   26   13 o    2.577000      0.7321000       1.993000 0.9392000       3.161000       1.123000      -1.168000       1.464000
  1 1 1       9   26   14 o    2.345000      0.7194000       2.130000 0.9774000       2.560000       1.056000     -0.4302000       1.439000
  1 1 1       9   26   15 o    6.854000      0.5108000       6.388000 0.7930000       7.319000      0.6442000     -0.9309000       1.022000
  1 1 1       9   26   16 o    3.630000      0.6536000       2.457000 0.9775000       4.803000      0.8680000      -2.346000       1.307000
  1 1 1       9   26   17 o    1.878000      0.6083000       1.960000 0.8743000       1.795000      0.8460000      0.1649000       1.217000
  1 1 1       9   26   18 o    2.720000      0.7185000       2.793000 1.000000       2.646000       1.032000      0.1473000       1.437000
  1 1 1       9   26   19 o    3.081000      0.7106000       2.845000 1.024000       3.316000      0.9851000     -0.4715000       1.421000
  1 1 1       9   26   20 o    4.531000      0.5705000       4.434000 0.8550000       4.627000      0.7557000     -0.1929000       1.141000
  1 1 1       9   26   21 o    3.177000       1.399000                  ?       ?   3.177000       1.399000                  ?              ?
  1 1 1       9   26   22 o    2.881000      0.8960000       3.023000 1.282000       2.740000       1.252000      0.2831000       1.792000
  1 1 1       9   26   23 f    3.536000      0.9658000       2.823000 1.264000       4.248000       1.460000      -1.425000       1.932000
  1 1 1       9   26   24 o    3.002000      0.7539000       2.702000 1.218000       3.302000      0.8880000     -0.6005000       1.508000
  1 1 1       9   26   25 o    2.879000      0.7043000       3.503000 1.056000       2.255000      0.9322000       1.248000       1.409000
  1 1 1       9   26   26 o    2.776000      0.7327000       2.720000 1.063000       2.832000       1.009000     -0.1128000       1.465000
  1 1 1       9   26   27 o    2.351000      0.6910000       2.612000 1.037000       2.090000      0.9133000      0.5218000       1.382000
  1 1 1       9   27    0 o    7.259000      0.2750000       7.941000 0.3260000       6.577000      0.4431000       1.364000      0.5501000
  1 1 1       9   27    1 o    2.309000      0.5616000       2.121000 0.7301000       2.498000      0.8536000     -0.3774000       1.123000
  1 1 1       9   27    2 f    5.354000      0.3526000       5.444000 0.4273000       5.264000      0.5611000      0.1797000      0.7053000
  1 1 1       9   27    3 o    1.641000      0.4976000       1.740000 0.6990000       1.542000      0.7085000      0.1982000      0.9953000
  1 1 1       9   27    4 o    2.902000      0.5567000       2.349000 0.7924000       3.456000      0.7822000      -1.106000       1.113000
  1 1 1       9   27    5 o    2.820000      0.5549000       2.444000 0.7799000       3.196000      0.7895000     -0.7519000       1.110000
  1 1 1       9   27    6 o    3.355000      0.5246000       3.516000 0.6876000       3.194000      0.7925000      0.3224000       1.049000
  1 1 1       9   27    7 o    3.113000      0.6058000       2.861000 0.9136000       3.366000      0.7958000     -0.5044000       1.212000
  1 1 1       9   27    8 o    2.885000      0.6261000       3.912000 0.9486000       1.858000      0.8175000       2.054000       1.252000
  1 1 1       9   27    9 o    2.446000      0.6434000       2.208000 0.9285000       2.685000      0.8909000     -0.4776000       1.287000
  1 1 1       9   27   10 o    3.676000      0.6200000       3.077000 0.9865000       4.274000      0.7512000      -1.197000       1.240000
  1 1 1       9   27   11 o    5.435000      0.5657000       6.777000 0.6888000       4.092000      0.8976000       2.685000       1.131000
  1 1 1       9   27   12 o    4.180000       1.063000       4.180000 1.063000                  ?              ?              ?              ?
  1 1 1       9   27   13 o    4.387000      0.7102000       3.371000 1.144000       5.403000      0.8414000      -2.032000       1.420000
  1 1 1       9   27   14 o    4.516000      0.7828000       4.416000 1.252000       4.616000      0.9394000     -0.1991000       1.566000
  1 1 1       9   27   15 f    3.282000      0.6681000       2.708000 1.002000       3.856000      0.8843000      -1.148000       1.336000
  1 1 1       9   27   16 o    3.317000      0.9500000       2.689000 1.232000       3.944000       1.447000      -1.255000       1.900000
  1 1 1       9   27   17 o    2.516000      0.8208000       2.390000 1.132000       2.641000       1.189000     -0.2505000       1.642000
  1 1 1       9   27   18 o    3.645000      0.9424000       2.820000 1.261000       4.470000       1.401000      -1.650000       1.885000
  1 1 1       9   27   19 o    3.747000       1.005000       3.263000 1.365000       4.232000       1.475000     -0.9691000       2.009000
  1 1 1       9   27   20 o    2.623000      0.6796000       3.232000 1.030000       2.014000      0.8869000       1.218000       1.359000
  1 1 1       9   27   21 o    3.872000      0.6812000       3.885000 0.9985000       3.859000      0.9269000      0.2643000E-01   1.362000
  1 1 1       9   27   22 o    3.074000      0.7035000       2.455000 1.023000       3.693000      0.9660000      -1.239000       1.407000
  1 1 1       9   27   23 o    2.033000      0.6412000       1.902000 0.8862000       2.163000      0.9269000     -0.2605000       1.282000
  1 1 1       9   27   24 o    3.004000      0.7779000       2.866000 1.135000       3.143000       1.064000     -0.2768000       1.556000
  1 1 1       9   27   25 o    2.944000      0.7697000       2.735000 1.104000       3.153000       1.073000     -0.4181000       1.539000
  1 1 1       9   27   26 o    2.264000      0.7218000       2.182000 1.016000       2.346000       1.025000     -0.1638000       1.444000
  1 1 1       9   28    0 o    4.098000      0.4810000       4.471000 0.5253000       3.724000      0.8060000      0.7472000      0.9620000
  1 1 1       9   28    1 o    7.363000      0.3384000       7.884000 0.4020000       6.841000      0.5445000       1.043000      0.6768000
  1 1 1       9   28    2 o    3.486000      0.5086000       2.953000 0.7404000       4.019000      0.6975000      -1.066000       1.017000
  1 1 1       9   28    3 o    1.881000      0.5636000       1.897000 0.7853000       1.865000      0.8085000      0.3133000E-01   1.127000
  1 1 1       9   28    4 o    9.546000      0.2998000       9.695000 0.4084000       9.397000      0.4390000      0.2983000      0.5996000
  1 1 1       9   28    5 o    10.50000      0.3009000       10.51000 0.4121000       10.48000      0.4387000      0.3443000E-01  0.6019000
  1 1 1       9   28    6 o    7.368000      0.3240000       7.577000 0.4490000       7.158000      0.4673000      0.4192000      0.6480000
  1 1 1       9   28    7 o    3.279000      0.6586000       3.855000 0.9170000       2.703000      0.9456000       1.151000       1.317000
  1 1 1       9   28    8 o    3.081000      0.7115000       2.954000 1.032000       3.208000      0.9803000     -0.2543000       1.423000
  1 1 1       9   28    9 o    2.047000      0.6367000       2.095000 0.9149000       2.000000      0.8857000      0.9503000E-01   1.273000
  1 1 1       9   28   10 o    3.456000      0.7009000       3.464000 0.9820000       3.447000       1.000000      0.1703000E-01   1.402000
  1 1 1       9   28   11 o    2.193000      0.6888000       2.455000 1.042000       1.931000      0.9011000      0.5249000       1.378000
  1 1 1       9   28   12 o    3.596000       1.277000       3.596000 1.277000                  ?              ?              ?              ?
  1 1 1       9   28   13 o    3.995000      0.7564000       5.687000 1.140000       2.303000      0.9948000       3.384000       1.513000
  1 1 1       9   28   14 o    2.325000       1.024000                  ?       ?   2.325000       1.024000                  ?              ?
  1 1 1       9   28   15 o    3.758000      0.7456000       3.631000 1.009000       3.885000       1.098000     -0.2538000       1.491000
  1 1 1       9   28   16 o    2.162000      0.6667000       2.402000 0.9905000       1.922000      0.8927000      0.4807000       1.333000
  1 1 1       9   28   17 o    2.725000      0.7152000       3.178000 1.043000       2.273000      0.9792000      0.9051000       1.430000
  1 1 1       9   28   18 o    2.714000      0.7470000       2.504000 1.026000       2.924000       1.086000     -0.4195000       1.494000
  1 1 1       9   28   19 o    3.057000      0.6670000       4.001000 0.9574000       2.113000      0.9289000       1.888000       1.334000
  1 1 1       9   28   20 o    4.614000      0.6728000       3.567000 1.162000       5.661000      0.6787000      -2.094000       1.346000
  1 1 1       9   28   21 o    6.491000      0.5509000       6.871000 0.8032000       6.112000      0.7542000      0.7597000       1.102000
  1 1 1       9   28   22 o    2.314000      0.7147000       1.974000 0.9380000       2.653000       1.079000     -0.6788000       1.429000
  1 1 1       9   28   23 o    2.586000      0.7297000       2.858000 1.081000       2.313000      0.9805000      0.5452000       1.459000
  1 1 1       9   28   24 o    2.466000      0.7000000       3.061000 1.100000       1.872000      0.8662000       1.189000       1.400000
  1 1 1       9   28   25 o    2.227000      0.6942000       2.340000 1.019000       2.115000      0.9429000      0.2260000       1.388000
  1 1 1       9   29    0 o    2.694000      0.5968000       2.479000 0.7475000       2.909000      0.9306000     -0.4299000       1.194000
  1 1 1       9   29    1 o    6.485000      0.3350000       6.875000 0.3860000       6.095000      0.5476000      0.7806000      0.6700000
  1 1 1       9   29    2 o    2.260000      0.6009000       2.183000 0.8045000       2.338000      0.8928000     -0.1542000       1.202000
  1 1 1       9   29    3 o    2.638000      0.6295000       2.803000 0.8291000       2.472000      0.9474000      0.3311000       1.259000
  1 1 1       9   29    4 o    5.112000      0.4072000       4.782000 0.5501000       5.443000      0.6004000     -0.6613000      0.8144000
  1 1 1       9   29    5 o    3.254000      0.5647000       3.658000 0.7054000       2.849000      0.8820000      0.8095000       1.129000
  1 1 1       9   29    6 o    3.289000      0.5954000       3.751000 0.7443000       2.827000      0.9297000      0.9240000       1.191000
  1 1 1       9   29    7 f    4.121000      0.5934000       4.135000 0.8550000       4.108000      0.8230000      0.2706000E-01   1.187000
  1 1 1       9   29    8 o    7.200000      0.4153000       7.310000 0.5664000       7.090000      0.6074000      0.2195000      0.8305000
  1 1 1       9   29    9 o    2.180000      0.6273000       1.735000 0.8123000       2.625000      0.9563000     -0.8896000       1.255000
  1 1 1       9   29   10 o    2.261000      0.6590000       1.940000 0.8831000       2.582000      0.9783000     -0.6420000       1.318000
  1 1 1       9   29   11 o    3.193000      0.7408000       3.271000 1.040000       3.115000       1.056000      0.1555000       1.482000
  1 1 1       9   29   12 o    3.884000      0.8781000       4.592000 1.235000       3.176000       1.248000       1.416000       1.756000
  1 1 1       9   29   13 o    2.631000      0.8247000       2.632000 1.132000       2.631000       1.200000      0.6945000E-03   1.649000
  1 1 1       9   29   14 o    3.711000      0.9232000       3.842000 1.140000       3.581000       1.453000      0.2609000       1.846000
  1 1 1       9   29   15 o    3.521000      0.8937000       2.885000 1.169000       4.158000       1.353000      -1.273000       1.787000
  1 1 1       9   29   16 o    3.255000      0.8459000       3.088000 1.179000       3.422000       1.213000     -0.3348000       1.692000
  1 1 1       9   29   17 o    2.660000      0.7838000       2.581000 1.092000       2.739000       1.125000     -0.1581000       1.568000
  1 1 1       9   29   18 o    2.725000      0.7580000       3.083000 1.127000       2.366000       1.014000      0.7172000       1.516000
  1 1 1       9   29   19 o    3.472000      0.7804000       2.967000 1.119000       3.976000       1.088000      -1.009000       1.561000
  1 1 1       9   29   20 o    3.494000      0.7477000       3.034000 1.120000       3.954000      0.9910000     -0.9204000       1.495000
  1 1 1       9   29   21 o    3.245000      0.7875000       3.262000 1.126000       3.227000       1.101000      0.3465000E-01   1.575000
  1 1 1       9   29   22 o    3.489000      0.7720000       4.125000 1.108000       2.853000       1.076000       1.272000       1.544000
  1 1 1       9   29   23 o    3.521000      0.8734000       3.692000 1.270000       3.350000       1.199000      0.3417000       1.747000
  1 1 1       9   30    0 o    2.846000      0.8752000       2.936000 1.235000       2.755000       1.241000      0.1817000       1.750000
  1 1 1       9   30    1 o    4.217000      0.9506000       4.212000 1.300000       4.223000       1.387000     -0.1132000E-01   1.901000
  1 1 1       9   30    2 o    2.957000      0.8332000       3.638000 1.270000       2.275000       1.079000       1.363000       1.666000
  1 1 1       9   30    3 o    2.621000      0.8239000       1.913000 0.9522000       3.330000       1.345000      -1.416000       1.648000
  1 1 1       9   30    4 o    2.721000      0.8787000       2.890000 1.298000       2.552000       1.185000      0.3386000       1.757000
  1 1 1       9   30    5 o    3.427000      0.9798000       3.637000 1.430000       3.217000       1.340000      0.4197000       1.960000
  1 1 1       9   30    6 o    3.400000      0.9495000       2.648000 1.229000       4.153000       1.448000      -1.505000       1.899000
  1 1 1       9   30    7 o    2.273000       1.112000                  ?       ?   2.273000       1.112000                  ?              ?
  1 1 1       9   30    8 o    2.709000      0.7942000       2.261000 0.9197000       3.156000       1.295000     -0.8955000       1.588000
  1 1 1       9   30    9 f    2.112000      0.6169000       2.634000 0.9823000       1.589000      0.7466000       1.045000       1.234000
  1 1 1       9   30   10 o    1.756000      0.5681000       1.431000 0.7015000       2.081000      0.8937000     -0.6494000       1.136000
  1 1 1       9   30   11 o    2.420000      0.6799000       1.970000 0.8903000       2.870000       1.028000     -0.8996000       1.360000
  1 1 1       9   30   12 o    1.779000      0.5862000       1.673000 0.7879000       1.885000      0.8683000     -0.2120000       1.172000
  1 1 1       9   30   13 o    2.899000      0.7602000       3.229000 1.069000       2.569000       1.081000      0.6600000       1.520000
  1 1 1       9   30   14 o    1.720000      0.5874000       1.511000 0.7408000       1.929000      0.9119000     -0.4186000       1.175000
  1 1 1       9   30   15 f    2.707000      0.7457000       2.003000 0.9084000       3.412000       1.183000      -1.409000       1.491000
  1 1 1       9   30   16 o    3.281000      0.7547000       3.596000 1.078000       2.966000       1.056000      0.6302000       1.509000
  1 1 1       9   30   17 o    2.858000      0.7767000       2.942000 1.096000       2.775000       1.101000      0.1671000       1.553000
  1 1 1       9   30   18 o    2.071000      0.6773000       2.102000 0.9681000       2.039000      0.9475000      0.6304000E-01   1.355000
  1 1 1       9   30   19 o    2.570000      0.7501000       2.665000 1.104000       2.475000       1.016000      0.1900000       1.500000
  1 1 1       9   30   20 o    2.236000      0.7028000       2.207000 0.9934000       2.265000      0.9946000     -0.5836000E-01   1.406000
  1 1 1       9   30   21 o    2.792000      0.7600000       3.204000 1.136000       2.379000       1.010000      0.8249000       1.520000
  1 1 1       9   30   22 o    3.316000      0.7513000       2.496000 1.061000       4.137000       1.064000      -1.640000       1.503000
  1 1 1       9   31    0 f    6.875000      0.4044000       6.579000 0.4375000       7.171000      0.6803000     -0.5920000      0.8089000
  1 1 1       9   31    1 o    2.150000      0.5875000       2.490000 0.8498000       1.810000      0.8113000      0.6798000       1.175000
  1 1 1       9   31    2 o    5.820000      0.4160000       5.572000 0.5401000       6.067000      0.6328000     -0.4947000      0.8320000
  1 1 1       9   31    3 o    5.813000      0.4113000       5.318000 0.5569000       6.307000      0.6055000     -0.9894000      0.8227000
  1 1 1       9   31    4 o    2.967000      0.6603000       2.497000 0.9014000       3.438000      0.9652000     -0.9416000       1.321000
  1 1 1       9   31    5 o    2.513000      0.6471000       1.970000 0.8474000       3.057000      0.9781000      -1.087000       1.294000
  1 1 1       9   31    6 o    2.911000      0.6650000       2.352000 0.9288000       3.471000      0.9519000      -1.119000       1.330000
  1 1 1       9   31    7 o    2.636000      0.6669000       2.099000 0.9022000       3.173000      0.9823000      -1.074000       1.334000
  1 1 1       9   31    8 o    2.518000      0.6907000       2.781000 1.017000       2.256000      0.9353000      0.5244000       1.381000
  1 1 1       9   31    9 o    2.200000      0.6534000       2.398000 0.9558000       2.002000      0.8912000      0.3953000       1.307000
  1 1 1       9   31   10 o    2.682000      0.6977000       2.466000 0.9668000       2.898000       1.006000     -0.4322000       1.395000
  1 1 1       9   31   11 o    2.592000      0.6987000       1.839000 0.8534000       3.345000       1.107000      -1.507000       1.397000
  1 1 1       9   31   12 f    1.901000      0.6282000       1.718000 0.8096000       2.084000      0.9609000     -0.3653000       1.256000
  1 1 1       9   31   13 o    2.220000      0.6902000       2.360000 1.005000       2.080000      0.9459000      0.2794000       1.380000
  1 1 1       9   31   14 o    2.674000      0.7587000       2.541000 1.045000       2.808000       1.100000     -0.2672000       1.517000
  1 1 1       9   31   15 o    2.445000      0.7281000       2.075000 0.9483000       2.815000       1.105000     -0.7400000       1.456000
  1 1 1       9   31   16 o    2.298000      0.6928000       2.482000 1.015000       2.115000      0.9429000      0.3666000       1.386000
  1 1 1       9   31   17 o    3.043000      0.7742000       3.346000 1.097000       2.740000       1.092000      0.6063000       1.548000
  1 1 1       9   31   18 o    2.555000      0.7668000       2.620000 1.099000       2.489000       1.070000      0.1307000       1.534000
  1 1 1       9   31   19 o    2.211000      0.6878000       2.805000 1.125000       1.618000      0.7913000       1.187000       1.376000
  1 1 1       9   31   20 o    3.290000      0.7545000       2.443000 1.047000       4.136000       1.087000      -1.693000       1.509000
  1 1 1       9   32    0 o    5.834000      0.4451000       6.518000 0.5000000       5.150000      0.7366000       1.368000      0.8902000
  1 1 1       9   32    1 o    3.863000      0.6106000       4.955000 0.6730000       2.772000       1.019000       2.184000       1.221000
  1 1 1       9   32    2 o    2.344000      0.6649000       2.537000 0.9536000       2.151000      0.9268000      0.3866000       1.330000
  1 1 1       9   32    3 o    2.397000      0.6782000       2.270000 0.9249000       2.524000      0.9922000     -0.2543000       1.356000
  1 1 1       9   32    4 o    2.165000      0.6496000       2.187000 0.9083000       2.143000      0.9289000      0.4429000E-01   1.299000
  1 1 1       9   32    5 o    2.612000      0.7002000       2.783000 0.9897000       2.441000      0.9907000      0.3421000       1.400000
  1 1 1       9   32    6 o    3.028000      0.7086000       2.098000 0.9279000       3.958000       1.071000      -1.859000       1.417000
  1 1 1       9   32    7 o    3.904000      0.7021000       4.172000 0.9356000       3.635000       1.047000      0.5371000       1.404000
  1 1 1       9   32    8 o    5.060000      0.5598000       4.987000 0.7983000       5.134000      0.7849000     -0.1468000       1.120000
  1 1 1       9   32    9 o    2.718000      0.7285000       2.820000 1.042000       2.617000       1.018000      0.2031000       1.457000
  1 1 1       9   32   10 o    2.158000      0.6722000       2.322000 0.9782000       1.995000      0.9221000      0.3276000       1.344000
  1 1 1       9   32   11 o    2.213000      0.6944000       1.952000 0.8978000       2.475000       1.060000     -0.5231000       1.389000
  1 1 1       9   32   12 o    3.341000      0.7804000       2.890000 1.067000       3.793000       1.139000     -0.9039000       1.561000
  1 1 1       9   32   13 o    3.039000      0.7694000       1.943000 0.8984000       4.135000       1.249000      -2.192000       1.539000
  1 1 1       9   32   14 o    3.343000      0.8041000       3.606000 1.119000       3.080000       1.155000      0.5255000       1.608000
  1 1 1       9   32   15 o    2.607000      0.7935000       2.538000 1.147000       2.675000       1.097000     -0.1372000       1.587000
  1 1 1       9   32   16 o    2.421000      0.6959000       1.937000 0.8916000       2.905000       1.069000     -0.9677000       1.392000
  1 1 1       9   32   17 o    2.510000      0.7376000       2.228000 0.9693000       2.793000       1.112000     -0.5645000       1.475000
  1 1 1       9   32   18 o    3.073000      0.8492000       3.106000 1.168000       3.041000       1.233000      0.6477000E-01   1.698000
  1 1 1       9   32   19 o    4.261000       1.553000                  ?       ?   4.261000       1.553000                  ?              ?
  1 1 1       9   33    0 o    3.887000      0.6975000       3.874000 0.9214000       3.899000       1.047000     -0.2520000E-01   1.395000
  1 1 1       9   33    1 o    1.856000      0.6144000       1.738000 0.8138000       1.974000      0.9208000     -0.2356000       1.229000
  1 1 1       9   33    2 o    2.796000      0.7412000       2.427000 0.9903000       3.166000       1.103000     -0.7393000       1.482000
  1 1 1       9   33    3 o    3.323000      0.7639000       3.156000 1.053000       3.491000       1.107000     -0.3344000       1.528000
  1 1 1       9   33    4 o    2.030000      0.6507000       2.056000 0.9143000       2.003000      0.9261000      0.5284000E-01   1.301000
  1 1 1       9   33    5 o    2.355000      0.6723000       2.931000 1.040000       1.779000      0.8523000       1.152000       1.345000
  1 1 1       9   33    6 o    3.114000      0.7533000       3.712000 1.085000       2.516000       1.045000       1.197000       1.507000
  1 1 1       9   33    7 o    2.492000      0.7188000       2.726000 1.056000       2.258000      0.9755000      0.4676000       1.438000
  1 1 1       9   33    8 o    3.056000      0.7366000       3.585000 1.050000       2.527000       1.033000       1.057000       1.473000
  1 1 1       9   33    9 o    3.183000      0.7635000       3.485000 1.048000       2.881000       1.111000      0.6034000       1.527000
  1 1 1       9   33   10 o    2.463000      0.7061000       2.949000 1.066000       1.976000      0.9266000      0.9730000       1.412000
  1 1 1       9   33   11 o    2.315000      0.6986000       2.671000 1.052000       1.958000      0.9192000      0.7128000       1.397000
  1 1 1       9   33   12 o    2.430000      0.7311000       2.189000 0.9711000       2.670000       1.093000     -0.4806000       1.462000
  1 1 1       9   33   13 o    2.477000       1.053000       2.477000 1.053000                  ?              ?              ?              ?
  1 1 1       9   33   14 o    2.108000      0.6838000       2.183000 0.9851000       2.034000      0.9485000      0.1493000       1.368000
  1 1 1       9   33   15 o    3.385000       1.110000                  ?       ?   3.385000       1.110000                  ?              ?
  1 1 1       9   33   16 o    4.035000      0.7573000       4.282000 1.045000       3.788000       1.096000      0.4942000       1.515000
  1 1 1       9   33   17 o    3.059000      0.9222000       3.164000 1.286000       2.953000       1.322000      0.2111000       1.844000
  1 1 1       9   34    0 o    2.787000      0.7959000       2.508000 0.9897000       3.067000       1.247000     -0.5596000       1.592000
  1 1 1       9   34    1 o    6.808000      0.5146000       7.034000 0.6227000       6.582000      0.8194000      0.4520000       1.029000
  1 1 1       9   34    2 o    3.812000      0.7762000       3.940000 1.033000       3.684000       1.159000      0.2564000       1.552000
  1 1 1       9   34    3 o    2.878000      0.7577000       2.354000 0.9843000       3.402000       1.152000      -1.049000       1.515000
  1 1 1       9   34    4 o    2.328000      0.7187000       2.216000 0.9741000       2.439000       1.057000     -0.2228000       1.437000
  1 1 1       9   34    5 o    3.177000      0.7648000       2.399000 1.018000       3.956000       1.142000      -1.557000       1.530000
  1 1 1       9   34    6 o    2.903000      0.7634000       2.599000 1.025000       3.206000       1.131000     -0.6068000       1.527000
  1 1 1       9   34    7 o    2.743000      0.7469000       2.807000 1.041000       2.679000       1.071000      0.1282000       1.494000
  1 1 1       9   34    8 o    2.960000      0.7868000       2.866000 1.075000       3.054000       1.149000     -0.1879000       1.574000
  1 1 1       9   34    9 f    2.286000      0.7124000       2.371000 1.014000       2.201000       1.001000      0.1699000       1.425000
  1 1 1       9   34   10 o    2.177000      0.6989000       2.079000 0.9494000       2.274000       1.026000     -0.1947000       1.398000
  1 1 1       9   34   11 o    3.050000      0.7272000       2.031000 0.9155000       4.069000       1.130000      -2.038000       1.454000
  1 1 1       9   34   12 o    2.396000      0.7244000       2.481000 1.019000       2.312000       1.030000      0.1693000       1.449000
  1 1 1       9   34   13 o    2.197000      0.6827000       2.523000 1.030000       1.870000      0.8958000      0.6534000       1.365000
  1 1 1       9   34   14 o    2.342000      0.7225000       2.297000 1.006000       2.387000       1.037000     -0.9083000E-01   1.445000
  1 1 1       9   35    0 o    6.183000      0.5741000       6.564000 0.6815000       5.802000      0.9242000      0.7614000       1.148000
  1 1 1       9   35    1 o    5.909000      0.5989000       6.122000 0.7348000       5.696000      0.9460000      0.4266000       1.198000
  1 1 1       9   35    2 o    3.815000      0.7930000       3.784000 1.029000       3.846000       1.207000     -0.6219000E-01   1.586000
  1 1 1       9   35    3 o    2.197000      0.6955000       2.239000 0.9762000       2.155000      0.9910000      0.8397000E-01   1.391000
  1 1 1       9   35    4 o    2.386000      0.7282000       2.538000 1.041000       2.233000       1.019000      0.3052000       1.456000
  1 1 1       9   35    5 o    1.994000      0.6634000       1.768000 0.8495000       2.219000       1.019000     -0.4514000       1.327000
  1 1 1       9   35    6 o    2.337000      0.7046000       2.554000 1.025000       2.120000      0.9676000      0.4334000       1.409000
  1 1 1       9   35    7 o    2.860000      0.7647000       3.165000 1.076000       2.554000       1.087000      0.6104000       1.529000
  1 1 1       9   35    8 o    2.571000      0.7453000       2.918000 1.088000       2.224000       1.018000      0.6935000       1.491000
  1 1 1       9   35    9 o    2.383000      0.7150000       2.829000 1.094000       1.937000      0.9205000      0.8929000       1.430000
  1 1 1       9   35   10 o    2.590000      0.7521000       2.781000 1.068000       2.400000       1.059000      0.3813000       1.504000
  1 1 1       9   35   11 o    2.301000      0.7186000       1.968000 0.9110000       2.635000       1.111000     -0.6661000       1.437000
  1 1 1       9   36    0 o    2.954000      0.8286000       2.936000 1.127000       2.972000       1.215000     -0.3677000E-01   1.657000
  1 1 1       9   36    1 f    2.654000      0.7723000       2.303000 0.9927000       3.006000       1.183000     -0.7031000       1.545000
  1 1 1       9   36    2 o    2.891000      0.7816000       2.503000 1.024000       3.279000       1.181000     -0.7766000       1.563000
  1 1 1       9   36    3 o    2.270000      0.7196000       2.213000 0.9782000       2.327000       1.056000     -0.1141000       1.439000
  1 1 1       9   36    4 o    2.638000      0.7557000       3.071000 1.109000       2.206000       1.026000      0.8651000       1.511000
  1 1 1       9   36    5 o    4.025000      0.7683000       4.787000 0.9583000       3.262000       1.201000       1.525000       1.537000
  1 1 1       9   36    6 o    2.767000      0.7451000       3.270000 1.092000       2.265000       1.014000       1.004000       1.490000
  1 1 1      10  -27    0 o    1.858000      0.6109000       2.098000 0.9308000       1.618000      0.7916000      0.4803000       1.222000
  1 1 1      10  -27    1 o    2.651000      0.7664000       2.607000 1.068000       2.695000       1.100000     -0.8860000E-01   1.533000
  1 1 1      10  -27    2 o    2.625000      0.7721000       2.359000 1.030000       2.892000       1.150000     -0.5329000       1.544000
  1 1 1      10  -27    3 o    2.807000      0.7648000       3.037000 1.112000       2.577000       1.051000      0.4597000       1.530000
  1 1 1      10  -27    4 o    3.087000      0.7743000       2.458000 1.032000       3.717000       1.154000      -1.259000       1.549000
  1 1 1      10  -27    5 f    3.156000      0.7921000       2.604000 1.078000       3.707000       1.161000      -1.103000       1.584000
  1 1 1      10  -27    6 f    4.041000      0.7356000       3.228000 1.120000       4.854000      0.9546000      -1.626000       1.471000
  1 1 1      10  -27    7 o    2.743000      0.7702000       3.006000 1.121000       2.481000       1.056000      0.5247000       1.540000
  1 1 1      10  -26    0 o    2.869000      0.7650000       2.838000 1.055000       2.900000       1.109000     -0.6177000E-01   1.530000
  1 1 1      10  -26    1 o    2.176000      0.9825000                  ?       ?   2.176000      0.9825000                  ?              ?
  1 1 1      10  -26    2 o    3.363000      0.7284000       2.491000 1.030000       4.236000       1.030000      -1.745000       1.457000
  1 1 1      10  -26    3 o    2.945000      0.7638000       3.166000 1.053000       2.723000       1.106000      0.4426000       1.528000
  1 1 1      10  -26    4 o    6.325000      0.6297000       6.351000 0.8265000       6.299000      0.9503000      0.5226000E-01   1.259000
  1 1 1      10  -26    5 o    7.061000      0.4973000       7.035000 0.6615000       7.087000      0.7426000     -0.5203000E-01  0.9945000
  1 1 1      10  -26    6 o    3.702000      0.7654000       4.179000 1.046000       3.225000       1.118000      0.9539000       1.531000
  1 1 1      10  -26    7 o    3.156000      0.7962000       3.011000 1.122000       3.301000       1.130000     -0.2894000       1.592000
  1 1 1      10  -26    8 o    3.271000      0.8146000       3.382000 1.144000       3.160000       1.160000      0.2213000       1.629000
  1 1 1      10  -26    9 o    3.461000      0.7615000       3.158000 1.087000       3.764000       1.066000     -0.6056000       1.523000
  1 1 1      10  -26   10 o    3.410000      0.7218000       4.248000 0.9934000       2.573000       1.047000       1.675000       1.444000
  1 1 1      10  -26   11 o    3.540000      0.7695000       3.532000 1.092000       3.548000       1.084000     -0.1658000E-01   1.539000
  1 1 1      10  -26   12 o    3.011000      0.7452000       2.975000 1.058000       3.047000       1.049000     -0.7226000E-01   1.490000
  1 1 1      10  -25    0 o    2.798000      0.7068000       2.383000 0.9145000       3.213000       1.078000     -0.8298000       1.414000
  1 1 1      10  -25    1 o    2.650000       1.061000                  ?       ?   2.650000       1.061000                  ?              ?
  1 1 1      10  -25    2 o    2.362000      0.7002000       2.495000 0.9924000       2.230000      0.9880000      0.2652000       1.400000
  1 1 1      10  -25    3 o    2.744000      0.6946000       3.522000 1.045000       1.966000      0.9153000       1.555000       1.389000
  1 1 1      10  -25    4 o    3.447000      0.7235000       3.418000 1.015000       3.477000       1.032000     -0.5912000E-01   1.447000
  1 1 1      10  -25    5 o    4.942000      0.5902000       4.911000 0.8082000       4.972000      0.8603000     -0.6087000E-01   1.180000
  1 1 1      10  -25    6 o    3.610000      0.7454000       3.185000 1.022000       4.035000       1.085000     -0.8500000       1.491000
  1 1 1      10  -25    7 o    2.669000      0.7477000       2.511000 1.038000       2.827000       1.076000     -0.3165000       1.495000
  1 1 1      10  -25    8 o    2.906000      0.7858000       2.598000 1.080000       3.215000       1.142000     -0.6170000       1.572000
  1 1 1      10  -25    9 o    4.329000      0.7453000       3.963000 1.197000       4.695000      0.8877000     -0.7316000       1.491000
  1 1 1      10  -25   10 o    5.918000      0.7221000       5.634000 1.077000       6.201000      0.9624000     -0.5674000       1.444000
  1 1 1      10  -25   11 o    2.682000      0.7992000       2.251000 1.024000       3.114000       1.227000     -0.8625000       1.598000
  1 1 1      10  -25   12 f    3.388000      0.8742000       3.318000 1.217000       3.457000       1.255000     -0.1386000       1.748000
  1 1 1      10  -25   13 o    3.696000      0.8731000       3.998000 1.241000       3.394000       1.228000      0.6042000       1.746000
  1 1 1      10  -25   14 o    3.041000      0.8608000       3.439000 1.263000       2.643000       1.170000      0.7960000       1.722000
  1 1 1      10  -25   15 o    2.781000       1.216000                  ?       ?   2.781000       1.216000                  ?              ?
  1 1 1      10  -24    0 o    2.447000      0.6855000       2.595000 0.9593000       2.300000      0.9795000      0.2944000       1.371000
  1 1 1      10  -24    1 o    2.627000      0.7038000       2.893000 1.008000       2.361000      0.9824000      0.5319000       1.408000
  1 1 1      10  -24    2 o    3.245000      0.7420000       3.222000 0.9981000       3.268000       1.098000     -0.4592000E-01   1.484000
  1 1 1      10  -24    3 o    1.884000      0.5852000       1.360000 0.6692000       2.409000      0.9602000      -1.049000       1.170000
  1 1 1      10  -24    4 o    3.157000      0.6990000       3.805000 0.9528000       2.509000       1.023000       1.296000       1.398000
  1 1 1      10  -24    5 o    3.089000      0.7439000       2.455000 0.9518000       3.724000       1.144000      -1.269000       1.488000
  1 1 1      10  -24    6 o    3.427000      0.7526000       2.685000 1.027000       4.170000       1.100000      -1.485000       1.505000
  1 1 1      10  -24    7 o    2.646000      0.7257000       1.770000 0.8467000       3.521000       1.179000      -1.751000       1.451000
  1 1 1      10  -24    8 o    3.597000      0.7627000       3.231000 1.089000       3.964000       1.068000     -0.7335000       1.525000
  1 1 1      10  -24    9 o    2.220000      0.6793000       2.499000 1.018000       1.942000      0.8999000      0.5568000       1.359000
  1 1 1      10  -24   10 o    2.610000      0.7285000       3.018000 1.038000       2.203000       1.023000      0.8153000       1.457000
  1 1 1      10  -24   11 o    3.828000      0.6889000       4.652000 0.8968000       3.003000       1.046000       1.649000       1.378000
  1 1 1      10  -24   12 o    2.642000      0.7249000       2.572000 1.022000       2.713000       1.028000     -0.1412000       1.450000
  1 1 1      10  -24   13 o    3.381000      0.6969000       2.792000 1.066000       3.971000      0.8979000      -1.179000       1.394000
  1 1 1      10  -24   14 o    2.347000      0.7112000       2.354000 1.050000       2.340000      0.9600000      0.1458000E-01   1.422000
  1 1 1      10  -24   15 o    2.901000      0.7716000       2.739000 1.110000       3.063000       1.072000     -0.3244000       1.543000
  1 1 1      10  -24   16 o    2.508000      0.7330000       3.010000 1.149000       2.007000      0.9099000       1.003000       1.466000
  1 1 1      10  -24   17 o    2.910000      0.7443000       3.748000 1.178000       2.073000      0.9104000       1.675000       1.489000
  1 1 1      10  -23    0 o    2.308000      0.6323000       2.171000 0.8387000       2.445000      0.9464000     -0.2737000       1.265000
  1 1 1      10  -23    1 o    3.101000      0.6520000       3.659000 0.8085000       2.542000       1.023000       1.117000       1.304000
  1 1 1      10  -23    2 o    3.203000      0.6876000       3.586000 0.8537000       2.819000       1.078000      0.7667000       1.375000
  1 1 1      10  -23    3 o    5.396000      0.5180000       4.846000 0.6889000       5.946000      0.7739000      -1.099000       1.036000
  1 1 1      10  -23    4 o    2.686000      0.6175000       3.632000 0.9258000       1.740000      0.8174000       1.892000       1.235000
  1 1 1      10  -23    5 o    2.286000      0.6540000       1.879000 0.8392000       2.692000       1.003000     -0.8130000       1.308000
  1 1 1      10  -23    6 o    2.491000      0.6681000       2.088000 0.8982000       2.893000      0.9894000     -0.8056000       1.336000
  1 1 1      10  -23    7 o    3.698000       1.013000       4.035000 1.509000       3.362000       1.351000      0.6734000       2.026000
  1 1 1      10  -23    8 f    3.123000      0.9581000       3.249000 1.383000       2.998000       1.326000      0.2507000       1.916000
  1 1 1      10  -23    9 o    2.935000      0.9116000       2.946000 1.296000       2.923000       1.282000      0.2363000E-01   1.823000
  1 1 1      10  -23   10 o    2.836000      0.8444000       2.957000 1.237000       2.715000       1.150000      0.2425000       1.689000
  1 1 1      10  -23   11 o    3.639000      0.7880000       4.563000 1.248000       2.715000      0.9630000       1.848000       1.576000
  1 1 1      10  -23   12 o    2.962000      0.7407000       2.898000 1.040000       3.026000       1.055000     -0.1282000       1.481000
  1 1 1      10  -23   13 o    2.397000      0.6682000       1.840000 0.8606000       2.954000       1.022000      -1.114000       1.336000
  1 1 1      10  -23   14 o    2.743000      0.7008000       2.505000 1.017000       2.982000      0.9647000     -0.4769000       1.402000
  1 1 1      10  -23   15 o    5.418000      0.5031000       5.178000 0.7892000       5.658000      0.6244000     -0.4797000       1.006000
  1 1 1      10  -23   16 o    2.936000      0.7045000       3.102000 1.028000       2.769000      0.9631000      0.3332000       1.409000
  1 1 1      10  -23   17 o    2.618000      0.6854000       2.537000 1.004000       2.699000      0.9336000     -0.1623000       1.371000
  1 1 1      10  -23   18 o    3.170000      0.7160000       3.626000 1.057000       2.715000      0.9662000      0.9109000       1.432000
  1 1 1      10  -23   19 o    2.118000      0.6446000       1.938000 0.8911000       2.298000      0.9317000     -0.3599000       1.289000
  1 1 1      10  -22    0 o    1.830000      0.7945000       1.830000 0.7945000                  ?              ?              ?              ?
  1 1 1      10  -22    1 o    3.032000      0.6349000       3.430000 0.8514000       2.634000      0.9421000      0.7952000       1.270000
  1 1 1      10  -22    2 o    3.471000       1.363000                  ?       ?   3.471000       1.363000                  ?              ?
  1 1 1      10  -22    3 o    4.114000       1.091000       3.833000 1.607000       4.395000       1.476000     -0.5612000       2.182000
  1 1 1      10  -22    4 o    5.134000       1.019000       6.790000 1.501000       3.477000       1.377000       3.312000       2.037000
  1 1 1      10  -22    5 o    4.081000      0.5174000       4.050000 0.6761000       4.111000      0.7834000     -0.6122000E-01   1.035000
  1 1 1      10  -22    6 o    3.398000      0.6678000       3.130000 0.9619000       3.666000      0.9266000     -0.5354000       1.336000
  1 1 1      10  -22    7 o    3.153000      0.6420000       2.666000 0.9672000       3.641000      0.8446000     -0.9748000       1.284000
  1 1 1      10  -22    8 o    2.499000      0.6935000       2.729000 1.020000       2.269000      0.9393000      0.4603000       1.387000
  1 1 1      10  -22    9 o    2.056000      0.6426000       2.082000 0.9222000       2.030000      0.8950000      0.5277000E-01   1.285000
  1 1 1      10  -22   10 o    5.143000      0.5172000       5.592000 0.6986000       4.695000      0.7628000      0.8969000       1.034000
  1 1 1      10  -22   11 o    4.500000      0.5618000       4.828000 0.7546000       4.172000      0.8325000      0.6564000       1.124000
  1 1 1      10  -22   12 o    4.473000      0.5854000       3.920000 0.9164000       5.027000      0.7285000      -1.106000       1.171000
  1 1 1      10  -22   13 o    2.705000      0.7087000       3.109000 1.050000       2.301000      0.9516000      0.8079000       1.417000
  1 1 1      10  -22   14 o    4.887000      0.5165000       5.014000 0.7282000       4.759000      0.7327000      0.2549000       1.033000
  1 1 1      10  -22   15 o    3.990000      0.6228000       4.166000 0.8768000       3.814000      0.8847000      0.3521000       1.246000
  1 1 1      10  -22   16 o    1.932000      0.6059000       1.948000 0.8745000       1.916000      0.8388000      0.3209000E-01   1.212000
  1 1 1      10  -22   17 o    2.167000      0.6352000       2.498000 0.9776000       1.836000      0.8114000      0.6611000       1.270000
  1 1 1      10  -22   18 o    4.256000      0.5882000       4.479000 0.8664000       4.033000      0.7957000      0.4458000       1.176000
  1 1 1      10  -22   19 o    2.610000      0.6475000       1.967000 0.8882000       3.253000      0.9425000      -1.286000       1.295000
  1 1 1      10  -22   20 o    2.373000      0.6758000       2.805000 1.059000       1.941000      0.8395000      0.8638000       1.352000
  1 1 1      10  -22   21 o    3.454000      0.6565000       2.675000 1.047000       4.232000      0.7925000      -1.558000       1.313000
  1 1 1      10  -21    0 o    3.813000      0.9981000       4.614000 1.504000       3.013000       1.313000       1.601000       1.996000
  1 1 1      10  -21    1 o    3.975000      0.5739000       4.166000 0.6949000       3.785000      0.9135000      0.3811000       1.148000
  1 1 1      10  -21    2 o    2.090000      0.5983000       1.802000 0.7379000       2.379000      0.9421000     -0.5767000       1.197000
  1 1 1      10  -21    3 o    1.998000      0.5995000       2.120000 0.8621000       1.877000      0.8332000      0.2431000       1.199000
  1 1 1      10  -21    4 o    2.022000      0.5927000       1.605000 0.7356000       2.439000      0.9295000     -0.8348000       1.185000
  1 1 1      10  -21    5 o    6.120000      0.3879000       6.590000 0.4796000       5.650000      0.6099000      0.9404000      0.7759000
  1 1 1      10  -21    6 o    2.207000      0.6078000       2.440000 0.8624000       1.974000      0.8568000      0.4656000       1.216000
  1 1 1      10  -21    7 o    2.967000      0.6527000       3.088000 0.9057000       2.847000      0.9402000      0.2405000       1.305000
  1 1 1      10  -21    8 o    5.987000      0.4553000       6.737000 0.5825000       5.238000      0.6998000       1.499000      0.9105000
  1 1 1      10  -21    9 o    4.566000       1.033000       4.728000 1.530000       4.404000       1.389000      0.3242000       2.067000
  1 1 1      10  -21   10 o    9.610000      0.3871000       9.506000 0.5627000       9.713000      0.5317000     -0.2068000      0.7742000
  1 1 1      10  -21   11 o    3.116000      0.6549000       3.247000 0.9486000       2.985000      0.9031000      0.2624000       1.310000
  1 1 1      10  -21   12 o    2.582000      0.6668000       2.421000 0.9623000       2.744000      0.9235000     -0.3230000       1.334000
  1 1 1      10  -21   13 o    5.524000      0.4751000       5.977000 0.6615000       5.070000      0.6820000      0.9064000      0.9501000
  1 1 1      10  -21   14 o    7.463000      0.3352000       7.892000 0.4651000       7.034000      0.4828000      0.8579000      0.6704000
  1 1 1      10  -21   15 o    3.562000      0.6273000       3.766000 0.8848000       3.358000      0.8894000      0.4082000       1.255000
  1 1 1      10  -21   16 o    3.971000      0.5883000       3.887000 0.8589000       4.056000      0.8041000     -0.1694000       1.177000
  1 1 1      10  -21   17 o    2.351000      0.6432000       2.361000 0.9255000       2.341000      0.8936000      0.2061000E-01   1.286000
  1 1 1      10  -21   18 o    4.431000      0.5573000       3.781000 0.9059000       5.081000      0.6495000      -1.299000       1.115000
  1 1 1      10  -21   19 o    3.381000      0.6525000       3.020000 1.012000       3.741000      0.8241000     -0.7207000       1.305000
  1 1 1      10  -21   20 o    1.744000      0.5700000       1.712000 0.8144000       1.776000      0.7976000     -0.6461000E-01   1.140000
  1 1 1      10  -21   21 o    2.373000      0.6624000       2.202000 0.9549000       2.543000      0.9184000     -0.3413000       1.325000
  1 1 1      10  -21   22 o    2.736000      0.6856000       3.568000 1.072000       1.904000      0.8557000       1.664000       1.371000
  1 1 1      10  -20    0 o    3.369000      0.5684000       2.450000 0.8119000       4.288000      0.7957000      -1.838000       1.137000
  1 1 1      10  -20    1 o    3.245000      0.5977000       3.175000 0.7493000       3.314000      0.9315000     -0.1390000       1.195000
  1 1 1      10  -20    2 o    9.118000      0.3045000       9.061000 0.4008000       9.175000      0.4585000     -0.1138000      0.6090000
  1 1 1      10  -20    3 o    8.212000      0.3359000       8.196000 0.4316000       8.229000      0.5147000     -0.3286000E-01  0.6717000
  1 1 1      10  -20    4 o    2.566000      0.5410000       3.467000 0.7838000       1.666000      0.7458000       1.801000       1.082000
  1 1 1      10  -20    5 o    3.751000      0.5310000       3.978000 0.7368000       3.524000      0.7647000      0.4535000       1.062000
  1 1 1      10  -20    6 o    1.605000      0.5229000       1.791000 0.7908000       1.420000      0.6842000      0.3706000       1.046000
  1 1 1      10  -20    7 o    5.013000      0.4921000       5.580000 0.6276000       4.446000      0.7581000       1.134000      0.9842000
  1 1 1      10  -20    8 o    3.240000      0.6769000       3.558000 0.9550000       2.922000      0.9594000      0.6360000       1.354000
  1 1 1      10  -20    9 o    2.886000      0.6742000       3.608000 0.9930000       2.164000      0.9123000       1.444000       1.348000
  1 1 1      10  -20   10 o    5.241000      0.4923000       5.713000 0.6226000       4.770000      0.7629000      0.9429000      0.9847000
  1 1 1      10  -20   11 o    1.948000      0.5891000       2.016000 0.8542000       1.880000      0.8113000      0.1365000       1.178000
  1 1 1      10  -20   12 o    2.224000      0.6281000       2.605000 0.9509000       1.843000      0.8210000      0.7615000       1.256000
  1 1 1      10  -20   13 o    3.424000      0.6494000       2.754000 0.9973000       4.095000      0.8319000      -1.340000       1.299000
  1 1 1      10  -20   14 o    5.434000      0.4001000       5.550000 0.5707000       5.319000      0.5609000      0.2310000      0.8002000
  1 1 1      10  -20   15 o    2.886000      0.6258000       2.932000 0.8870000       2.840000      0.8831000      0.9243000E-01   1.252000
  1 1 1      10  -20   16 o    2.701000      0.6273000       2.897000 0.8930000       2.506000      0.8813000      0.3911000       1.255000
  1 1 1      10  -20   17 o    4.626000      0.4283000       4.947000 0.5972000       4.305000      0.6142000      0.6422000      0.8567000
  1 1 1      10  -20   18 o    4.946000      0.4738000       5.108000 0.7009000       4.785000      0.6377000      0.3231000      0.9476000
  1 1 1      10  -20   19 o    5.531000      0.4139000       5.459000 0.6063000       5.602000      0.5636000     -0.1438000      0.8278000
  1 1 1      10  -20   20 o    3.427000      0.5987000       2.468000 0.9663000       4.385000      0.7071000      -1.917000       1.197000
  1 1 1      10  -20   21 o    4.571000      0.5626000       4.420000 0.8857000       4.723000      0.6939000     -0.3022000       1.125000
  1 1 1      10  -20   22 o    2.051000      0.6301000       1.933000 0.8972000       2.169000      0.8849000     -0.2357000       1.260000
  1 1 1      10  -20   23 o    3.044000      0.6885000       2.811000 1.043000       3.276000      0.8986000     -0.4646000       1.377000
  1 1 1      10  -20   24 o    3.558000      0.7178000       3.953000 1.064000       3.162000      0.9634000      0.7907000       1.436000
  1 1 1      10  -19    0 o    5.444000      0.3701000       5.057000 0.4737000       5.832000      0.5687000     -0.7750000      0.7401000
  1 1 1      10  -19    1 f    8.239000      0.6077000       8.637000 0.3657000       7.841000       1.159000      0.7966000       1.215000
  1 1 1      10  -19    2 f    16.11000      0.3344000       15.62000 0.4029000       16.60000      0.5337000     -0.9870000      0.6687000
  1 1 1      10  -19    3 o    2.480000      0.5462000       1.449000 0.6578000       3.512000      0.8721000      -2.063000       1.092000
  1 1 1      10  -19    4 o    2.742000      0.6376000       2.708000 0.8855000       2.776000      0.9175000     -0.6768000E-01   1.275000
  1 1 1      10  -19    5 o    4.513000      0.4606000       4.947000 0.5785000       4.079000      0.7170000      0.8678000      0.9212000
  1 1 1      10  -19    6 o    3.681000      0.5250000       4.554000 0.6004000       2.807000      0.8615000       1.747000       1.050000
  1 1 1      10  -19    7 o    4.026000      0.5023000       3.840000 0.7178000       4.212000      0.7030000     -0.3715000       1.005000
  1 1 1      10  -19    8 o    3.915000      0.5861000       3.980000 0.8532000       3.851000      0.8037000      0.1295000       1.172000
  1 1 1      10  -19    9 o    2.979000      0.6562000       3.579000 0.9356000       2.378000      0.9203000       1.201000       1.312000
  1 1 1      10  -19   10 o    2.480000      0.6589000       2.146000 0.9101000       2.814000      0.9530000     -0.6679000       1.318000
  1 1 1      10  -19   11 o    3.789000      0.5741000       4.154000 0.7567000       3.424000      0.8636000      0.7304000       1.148000
  1 1 1      10  -19   12 o    2.668000      0.6651000       2.355000 0.9203000       2.980000      0.9605000     -0.6242000       1.330000
  1 1 1      10  -19   13 o    6.012000      0.4380000       6.376000 0.5832000       5.647000      0.6538000      0.7287000      0.8761000
  1 1 1      10  -19   14 o    2.797000      0.6250000       2.278000 0.8777000       3.316000      0.8901000      -1.038000       1.250000
  1 1 1      10  -19   15 o    4.290000      0.4604000       4.026000 0.6853000       4.554000      0.6150000     -0.5281000      0.9208000
  1 1 1      10  -19   16 o    2.791000      0.5802000       3.203000 0.7990000       2.378000      0.8415000      0.8247000       1.160000
  1 1 1      10  -19   17 o    1.932000      0.5485000       2.134000 0.8053000       1.730000      0.7449000      0.4039000       1.097000
  1 1 1      10  -19   18 o    3.535000      0.5366000       3.362000 0.8028000       3.708000      0.7122000     -0.3458000       1.073000
  1 1 1      10  -19   19 o    3.843000      0.5321000       3.564000 0.8308000       4.123000      0.6649000     -0.5593000       1.064000
  1 1 1      10  -19   20 o    6.348000      0.3936000       6.552000 0.6304000       6.144000      0.4716000      0.4080000      0.7872000
  1 1 1      10  -19   21 o    1.856000      0.5860000       1.908000 0.8676000       1.804000      0.7879000      0.1039000       1.172000
  1 1 1      10  -19   22 o    4.287000      0.9594000       4.332000 0.9339000       4.242000       1.676000      0.8928000E-01   1.919000
  1 1 1      10  -19   23 o    5.173000      0.8480000       4.903000 0.8196000       5.444000       1.485000     -0.5405000       1.696000
  1 1 1      10  -19   24 o    2.226000      0.6652000       2.641000 1.048000       1.812000      0.8190000      0.8293000       1.330000
  1 1 1      10  -19   25 o    1.824000      0.5930000       2.190000 0.9529000       1.458000      0.7061000      0.7314000       1.186000
  1 1 1      10  -18    0 o    4.087000      0.4214000       3.902000 0.5211000       4.273000      0.6624000     -0.3709000      0.8428000
  1 1 1      10  -18    1 o    5.422000      0.4223000       5.422000 0.4223000                  ?              ?              ?              ?
  1 1 1      10  -18    2 o    5.676000      0.3256000       5.553000 0.4132000       5.800000      0.5033000     -0.2471000      0.6512000
  1 1 1      10  -18    3 o    11.31000      0.4211000                  ?       ?   11.31000      0.4211000                  ?              ?
  1 1 1      10  -18    4 o    5.331000      0.3927000       5.767000 0.4749000       4.895000      0.6256000      0.8718000      0.7854000
  1 1 1      10  -18    5 o    2.142000      0.5523000       1.482000 0.6790000       2.802000      0.8713000      -1.320000       1.105000
  1 1 1      10  -18    6 o    6.164000      0.3480000       5.858000 0.4891000       6.470000      0.4951000     -0.6121000      0.6960000
  1 1 1      10  -18    7 o    8.841000      0.7240000       7.836000 1.378000       9.846000      0.4446000      -2.010000       1.448000
  1 1 1      10  -18    8 o    10.14000      0.3219000       10.59000 0.4550000       9.688000      0.4556000      0.8996000      0.6439000
  1 1 1      10  -18    9 o    4.245000      0.5610000       4.697000 0.7567000       3.793000      0.8285000      0.9037000       1.122000
  1 1 1      10  -18   10 o    2.279000      0.6169000       2.737000 0.9367000       1.821000      0.8030000      0.9163000       1.234000
  1 1 1      10  -18   11 o    2.360000      0.6139000       2.905000 0.9230000       1.815000      0.8097000       1.090000       1.228000
  1 1 1      10  -18   12 o    2.093000      0.6251000       2.149000 0.8927000       2.036000      0.8751000      0.1128000       1.250000
  1 1 1      10  -18   13 o    5.534000      0.5149000       5.636000 0.6950000       5.433000      0.7599000      0.2032000       1.030000
  1 1 1      10  -18   14 o    3.082000      0.6093000       2.757000 0.8640000       3.406000      0.8593000     -0.6483000       1.219000
  1 1 1      10  -18   15 o    4.085000      0.4603000       3.842000 0.6573000       4.329000      0.6445000     -0.4871000      0.9206000
  1 1 1      10  -18   16 o    1.780000      0.5408000       1.826000 0.7734000       1.734000      0.7562000      0.9251000E-01   1.082000
  1 1 1      10  -18   17 o    1.895000      0.5295000       2.127000 0.7907000       1.664000      0.7045000      0.4630000       1.059000
  1 1 1      10  -18   18 o    2.131000      0.5316000       2.645000 0.8000000       1.616000      0.7004000       1.029000       1.063000
  1 1 1      10  -18   19 o    2.790000      0.5801000       2.966000 0.8564000       2.613000      0.7828000      0.3532000       1.160000
  1 1 1      10  -18   20 o    2.388000      0.5847000       2.644000 0.8736000       2.133000      0.7773000      0.5114000       1.169000
  1 1 1      10  -18   21 o    2.173000      0.6198000       2.172000 0.9211000       2.175000      0.8297000     -0.3160000E-02   1.240000
  1 1 1      10  -18   22 o    2.936000      0.6427000       3.063000 0.9850000       2.808000      0.8258000      0.2550000       1.285000
  1 1 1      10  -18   23 o    2.307000      0.6016000       1.756000 0.8246000       2.858000      0.8761000      -1.102000       1.203000
  1 1 1      10  -18   24 o    4.170000      0.6210000       4.443000 0.9179000       3.898000      0.8367000      0.5451000       1.242000
  1 1 1      10  -18   25 o    1.898000      0.6549000       1.659000 0.7958000       2.137000       1.040000     -0.4777000       1.310000
  1 1 1      10  -18   26 o    2.796000      0.7256000       3.407000 1.132000       2.184000      0.9081000       1.223000       1.451000
  1 1 1      10  -17    0 o    9.251000      0.2408000       9.379000 0.3103000       9.123000      0.3683000      0.2564000      0.4815000
  1 1 1      10  -17    1 o    5.991000      0.2703000       5.816000 0.3586000       6.166000      0.4045000     -0.3499000      0.5405000
  1 1 1      10  -17    2 o    4.413000      0.3727000       4.447000 0.4564000       4.379000      0.5894000      0.6795000E-01  0.7454000
  1 1 1      10  -17    3 o    6.995000      0.5764000       6.380000 0.3553000       7.610000       1.097000      -1.230000       1.153000
  1 1 1      10  -17    4 o    1.790000      0.5202000       1.992000 0.7541000       1.589000      0.7168000      0.4033000       1.040000
  1 1 1      10  -17    5 o    6.538000      0.3039000       6.737000 0.4227000       6.338000      0.4367000      0.3990000      0.6078000
  1 1 1      10  -17    6 o    3.370000      0.5341000       3.173000 0.7549000       3.567000      0.7556000     -0.3943000       1.068000
  1 1 1      10  -17    7 o    5.106000      0.3741000       5.200000 0.4851000       5.012000      0.5697000      0.1880000      0.7483000
  1 1 1      10  -17    8 o    8.255000      0.3188000       7.895000 0.4620000       8.615000      0.4394000     -0.7196000      0.6375000
  1 1 1      10  -17    9 o    4.428000      0.5217000       5.399000 0.6565000       3.457000      0.8109000       1.942000       1.043000
  1 1 1      10  -17   10 o    5.533000      0.4182000       5.564000 0.6268000       5.501000      0.5537000      0.6359000E-01  0.8363000
  1 1 1      10  -17   11 o    2.330000      0.6609000       2.652000 0.9971000       2.008000      0.8676000      0.6440000       1.322000
  1 1 1      10  -17   12 o    6.967000      0.3765000       6.621000 0.5037000       7.313000      0.5599000     -0.6919000      0.7531000
  1 1 1      10  -17   13 o    6.156000      0.4343000       6.372000 0.5716000       5.939000      0.6542000      0.4337000      0.8687000
  1 1 1      10  -17   14 f    3.470000      0.8499000       2.580000 1.189000       4.360000       1.214000      -1.779000       1.700000
  1 1 1      10  -17   15 o    2.416000      0.7790000       2.275000 1.092000       2.557000       1.112000     -0.2826000       1.558000
  1 1 1      10  -17   16 o    2.877000      0.8691000       3.096000 1.300000       2.658000       1.153000      0.4372000       1.738000
  1 1 1      10  -17   17 o    4.534000      0.8305000       2.836000 1.255000       6.232000       1.088000      -3.396000       1.661000
  1 1 1      10  -17   18 o    3.071000      0.9125000       2.479000 1.136000       3.662000       1.428000      -1.183000       1.825000
  1 1 1      10  -17   19 o    4.168000      0.9762000       4.173000 1.455000       4.163000       1.302000      0.1031000E-01   1.952000
  1 1 1      10  -17   21 o    3.379000       1.026000       3.410000 1.443000       3.348000       1.459000      0.6242000E-01   2.052000
  1 1 1      10  -17   22 o    4.148000       1.040000       3.791000 1.546000       4.505000       1.392000     -0.7147000       2.080000
  1 1 1      10  -17   23 o    3.742000       1.068000       4.007000 1.630000       3.477000       1.380000      0.5301000       2.136000
  1 1 1      10  -17   24 o    3.399000      0.9462000       2.570000 1.228000       4.228000       1.440000      -1.658000       1.892000
  1 1 1      10  -17   25 o    3.009000       1.322000                  ?       ?   3.009000       1.322000                  ?              ?
  1 1 1      10  -17   26 o    2.735000      0.8258000       3.386000 1.325000       2.084000      0.9855000       1.302000       1.652000
  1 1 1      10  -17   27 o    2.701000      0.8127000       3.154000 1.255000       2.249000       1.033000      0.9051000       1.625000
  1 1 1      10  -16    0 o    2.315000      0.4628000       2.815000 0.5817000       1.815000      0.7201000       1.000000      0.9257000
  1 1 1      10  -16    1 o    1.232000      0.4060000       1.283000 0.5823000       1.180000      0.5659000      0.1034000      0.8120000
  1 1 1      10  -16    2 o    3.429000      0.4361000       3.508000 0.5268000       3.349000      0.6951000      0.1592000      0.8721000
  1 1 1      10  -16    3 o    1.750000      0.4823000       1.253000 0.5896000       2.248000      0.7634000     -0.9950000      0.9646000
  1 1 1      10  -16    4 o    6.223000      0.2913000       6.401000 0.3758000       6.044000      0.4451000      0.3567000      0.5825000
  1 1 1      10  -16    5 o    4.847000      0.3462000       4.289000 0.5287000       5.404000      0.4471000      -1.115000      0.6924000
  1 1 1      10  -16    6 o    3.220000      0.5015000       3.208000 0.6572000       3.233000      0.7578000     -0.2529000E-01   1.003000
  1 1 1      10  -16    7 o    7.555000      0.2878000       6.985000 0.3999000       8.125000      0.4140000      -1.141000      0.5756000
  1 1 1      10  -16    8 o    6.961000      0.3071000       6.622000 0.4411000       7.300000      0.4274000     -0.6775000      0.6142000
  1 1 1      10  -16    9 o    5.846000      0.3966000       6.083000 0.5772000       5.610000      0.5440000      0.4723000      0.7932000
  1 1 1      10  -16   10 o    3.127000      0.5699000       4.201000 0.7696000       2.053000      0.8407000       2.149000       1.140000
  1 1 1      10  -16   11 o    1.935000      0.5879000       1.762000 0.8070000       2.107000      0.8551000     -0.3457000       1.176000
  1 1 1      10  -16   12 o    5.884000      0.3926000       5.386000 0.5615000       6.382000      0.5489000     -0.9957000      0.7852000
  1 1 1      10  -16   13 o    2.607000      0.6322000       1.718000 0.8041000       3.496000      0.9757000      -1.779000       1.264000
  1 1 1      10  -16   14 o    3.946000      0.5068000       3.470000 0.7640000       4.423000      0.6662000     -0.9536000       1.014000
  1 1 1      10  -16   15 o    2.288000      0.5720000       2.219000 0.8043000       2.356000      0.8135000     -0.1372000       1.144000
  1 1 1      10  -16   16 o    5.317000      0.3172000       5.439000 0.4391000       5.196000      0.4580000      0.2429000      0.6344000
  1 1 1      10  -16   17 o    2.759000      0.4888000       2.626000 0.7415000       2.892000      0.6369000     -0.2658000      0.9775000
  1 1 1      10  -16   18 f    9.636000      0.2613000       9.397000 0.3744000       9.874000      0.3648000     -0.4767000      0.5227000
  1 1 1      10  -16   19 o    1.702000      0.4852000       1.530000 0.6895000       1.873000      0.6828000     -0.3432000      0.9703000
  1 1 1      10  -16   20 o    7.093000      0.2877000       7.362000 0.4520000       6.825000      0.3560000      0.5371000      0.5754000
  1 1 1      10  -16   21 o    6.803000      0.3125000       6.715000 0.5033000       6.891000      0.3705000     -0.1754000      0.6250000
  1 1 1      10  -16   22 o    6.824000      0.3239000       6.609000 0.5371000       7.039000      0.3621000     -0.4295000      0.6477000
  1 1 1      10  -16   23 o    3.454000      0.5803000       2.940000 0.9873000       3.967000      0.6102000      -1.028000       1.161000
  1 1 1      10  -16   24 f    4.004000      0.5916000       4.031000 0.9781000       3.977000      0.6657000      0.5384000E-01   1.183000
  1 1 1      10  -16   25 o    3.513000      0.6043000       3.023000 0.9660000       4.003000      0.7262000     -0.9803000       1.209000
  1 1 1      10  -16   26 o    3.831000      0.5725000       3.143000 0.9869000       4.519000      0.5806000      -1.376000       1.145000
  1 1 1      10  -16   27 o    3.231000      0.5924000       2.495000 0.9458000       3.967000      0.7135000      -1.472000       1.185000
  1 1 1      10  -16   28 o    2.791000      0.6485000       2.697000 0.9530000       2.884000      0.8797000     -0.1875000       1.297000
  1 1 1      10  -15    0 o    5.243000      0.2686000       5.080000 0.3642000       5.407000      0.3950000     -0.3271000      0.5373000
  1 1 1      10  -15    1 o    5.699000      0.2509000       5.492000 0.3311000       5.906000      0.3770000     -0.4135000      0.5018000
  1 1 1      10  -15    2 o    3.300000      0.3639000       3.353000 0.5229000       3.248000      0.5062000      0.1048000      0.7278000
  1 1 1      10  -15    3 o    2.426000      0.4884000       3.034000 0.6249000       1.817000      0.7508000       1.216000      0.9768000
  1 1 1      10  -15    4 o    1.878000      0.5059000       2.007000 0.6867000       1.749000      0.7431000      0.2580000       1.012000
  1 1 1      10  -15    5 f    3.477000      0.4420000       3.284000 0.6441000       3.669000      0.6054000     -0.3853000      0.8840000
  1 1 1      10  -15    6 o    8.623000      0.2620000       8.680000 0.3461000       8.567000      0.3934000      0.1131000      0.5240000
  1 1 1      10  -15    7 o    4.809000      0.3539000       5.453000 0.4327000       4.164000      0.5601000       1.289000      0.7078000
  1 1 1      10  -15    8 o    3.394000      0.4711000       2.982000 0.7220000       3.806000      0.6052000     -0.8248000      0.9421000
  1 1 1      10  -15    9 o    6.851000      0.3212000       7.105000 0.4472000       6.596000      0.4613000      0.5081000      0.6425000
  1 1 1      10  -15   10 o    5.187000      0.4234000       5.636000 0.5802000       4.739000      0.6169000      0.8967000      0.8468000
  1 1 1      10  -15   11 o    6.060000       1.049000       6.381000 1.167000       5.739000       1.742000      0.6418000       2.097000
  1 1 1      10  -15   12 o    6.389000      0.7191000       7.934000 0.5977000       4.845000       1.308000       3.088000       1.438000
  1 1 1      10  -15   13 o    4.351000      0.8327000       4.437000 0.9732000       4.265000       1.352000      0.1715000       1.665000
  1 1 1      10  -15   14 f    2.694000      0.5972000       3.159000 0.8121000       2.229000      0.8760000      0.9299000       1.194000
  1 1 1      10  -15   15 o    6.349000      0.3182000       6.051000 0.4250000       6.647000      0.4737000     -0.5958000      0.6364000
  1 1 1      10  -15   16 o    8.868000      0.2650000       8.868000 0.3689000       8.867000      0.3805000      0.1056000E-02  0.5299000
  1 1 1      10  -15   17 o    9.838000      0.2467000       10.08000 0.3518000       9.592000      0.3460000      0.4918000      0.4934000
  1 1 1      10  -15   18 o    8.727000      0.2446000       8.955000 0.3535000       8.499000      0.3380000      0.4560000      0.4891000
  1 1 1      10  -15   19 o    3.555000      0.4185000       3.203000 0.7173000       3.907000      0.4314000     -0.7036000      0.8371000
  1 1 1      10  -15   20 o    3.250000      0.4787000       2.760000 0.8048000       3.739000      0.5184000     -0.9790000      0.9573000
  1 1 1      10  -15   21 o    3.008000      0.4971000       3.062000 0.8211000       2.953000      0.5606000      0.1084000      0.9942000
  1 1 1      10  -15   22 o    3.393000      0.5063000       3.729000 0.7929000       3.057000      0.6297000      0.6722000       1.013000
  1 1 1      10  -15   23 o    5.470000      0.3914000       5.588000 0.6376000       5.353000      0.4543000      0.2349000      0.7829000
  1 1 1      10  -15   24 o    5.005000      0.4717000       4.327000 0.8256000       5.683000      0.4566000      -1.357000      0.9434000
  1 1 1      10  -15   25 o    2.694000      0.6418000       2.657000 1.027000       2.730000      0.7704000     -0.7297000E-01   1.284000
  1 1 1      10  -15   26 o    2.845000      0.6697000       2.661000 1.037000       3.029000      0.8481000     -0.3674000       1.339000
  1 1 1      10  -15   27 o    2.228000      0.6465000       2.114000 0.9282000       2.342000      0.9001000     -0.2272000       1.293000
  1 1 1      10  -15   28 o    4.317000      0.5834000       4.536000 0.8628000       4.099000      0.7855000      0.4366000       1.167000
  1 1 1      10  -15   29 o    2.800000      0.7034000       2.926000 1.039000       2.675000      0.9480000      0.2508000       1.407000
  1 1 1      10  -14    0 o    6.115000      0.3000000       6.076000 0.3706000       6.154000      0.4718000     -0.7807000E-01  0.5999000
  1 1 1      10  -14    1 o    9.100000      0.2667000       9.062000 0.3543000       9.139000      0.3988000     -0.7728000E-01  0.5335000
  1 1 1      10  -14    2 o    3.949000      0.3627000       3.949000 0.3627000                  ?              ?              ?              ?
  1 1 1      10  -14    3 o    1.882000      0.4630000       2.183000 0.6446000       1.581000      0.6648000      0.6018000      0.9260000
  1 1 1      10  -14    4 o    3.138000      0.6306000                  ?       ?   3.138000      0.6306000                  ?              ?
  1 1 1      10  -14    5 o    4.320000      0.3327000       4.395000 0.4170000       4.244000      0.5184000      0.1509000      0.6653000
  1 1 1      10  -14    6 o    3.612000      0.8415000       4.172000 1.094000       3.053000       1.279000       1.119000       1.683000
  1 1 1      10  -14    7 o    7.831000      0.9115000       7.949000 0.9900000       7.713000       1.531000      0.2361000       1.823000
  1 1 1      10  -14    8 o    6.508000       1.071000       8.276000 1.011000       4.739000       1.889000       3.538000       2.143000
  1 1 1      10  -14   10 o    3.519000      0.5133000       3.401000 0.7516000       3.636000      0.6992000     -0.2350000       1.027000
  1 1 1      10  -14   11 o    7.385000      0.3034000       7.480000 0.4342000       7.290000      0.4239000      0.1900000      0.6068000
  1 1 1      10  -14   12 o    2.133000      0.5889000       1.945000 0.8134000       2.322000      0.8519000     -0.3773000       1.178000
  1 1 1      10  -14   13 f    7.992000      0.3348000       7.799000 0.4736000       8.185000      0.4735000     -0.3861000      0.6696000
  1 1 1      10  -14   14 o    2.476000      0.5764000       2.559000 0.7980000       2.393000      0.8319000      0.1659000       1.153000
  1 1 1      10  -14   15 o    10.30000      0.2418000       10.24000 0.3476000       10.37000      0.3361000     -0.1272000      0.4835000
  1 1 1      10  -14   16 o    9.657000      0.2367000       9.740000 0.3408000       9.575000      0.3285000      0.1649000      0.4734000
  1 1 1      10  -14   17 o    8.008000      0.2265000       7.608000 0.3252000       8.409000      0.3153000     -0.8016000      0.4529000
  1 1 1      10  -14   18 o    1.556000      0.4467000       1.665000 0.6637000       1.446000      0.5982000      0.2196000      0.8935000
  1 1 1      10  -14   19 o    3.631000      0.7024000       4.215000 0.4625000       3.046000       1.326000       1.169000       1.405000
  1 1 1      10  -14   20 o    4.514000      0.7060000       5.675000 0.4120000       3.352000       1.351000       2.324000       1.412000
  1 1 1      10  -14   21 o    1.361000      0.4260000       1.242000 0.5991000       1.481000      0.6058000     -0.2390000      0.8520000
  1 1 1      10  -14   22 o    3.176000      0.4984000       3.461000 0.7455000       2.890000      0.6618000      0.5709000      0.9969000
  1 1 1      10  -14   23 f    5.989000      0.3976000                  ?       ?   5.989000      0.3976000                  ?              ?
  1 1 1      10  -14   24 o    7.694000      0.3385000                  ?       ?   7.694000      0.3385000                  ?              ?
  1 1 1      10  -14   25 o    2.133000      0.5791000       2.325000 0.8978000       1.941000      0.7315000      0.3848000       1.158000
  1 1 1      10  -14   26 o    4.666000      0.4323000       4.413000 0.7241000       4.918000      0.4723000     -0.5047000      0.8646000
  1 1 1      10  -14   27 o    2.134000      0.5905000       2.181000 0.8685000       2.086000      0.8004000      0.9526000E-01   1.181000
  1 1 1      10  -14   28 o    2.051000      0.5483000       1.741000 0.7607000       2.361000      0.7897000     -0.6201000       1.097000
  1 1 1      10  -14   29 o    2.019000      0.5533000       1.748000 0.7639000       2.289000      0.8006000     -0.5402000       1.107000
  1 1 1      10  -14   30 o    4.263000      0.4430000       4.165000 0.6487000       4.360000      0.6036000     -0.1953000      0.8861000
  1 1 1      10  -13    0 o    6.579000      0.1911000       6.745000 0.2597000       6.413000      0.2803000      0.3323000      0.3822000
  1 1 1      10  -13    1 o    4.693000      0.2404000       5.239000 0.2936000       4.147000      0.3807000       1.092000      0.4808000
  1 1 1      10  -13    2 o    6.189000      0.4639000       6.189000 0.4639000                  ?              ?              ?              ?
  1 1 1      10  -13    3 o    2.427000      0.5981000       2.450000 0.8464000       2.404000      0.8452000      0.4642000E-01   1.196000
  1 1 1      10  -13    4 f    1.786000      0.5605000       1.673000 0.7241000       1.899000      0.8556000     -0.2253000       1.121000
  1 1 1      10  -13    5 o    3.831000      0.3529000       4.226000 0.4212000       3.436000      0.5664000      0.7898000      0.7059000
  1 1 1      10  -13    6 f    2.577000      0.4737000       2.527000 0.6282000       2.628000      0.7091000     -0.1011000      0.9473000
  1 1 1      10  -13    7 o    7.497000      0.2429000       7.750000 0.3273000       7.243000      0.3591000      0.5071000      0.4859000
  1 1 1      10  -13    8 o    7.673000      0.2456000       7.808000 0.3349000       7.538000      0.3593000      0.2696000      0.4911000
  1 1 1      10  -13    9 o    4.511000      0.3567000       4.688000 0.4697000       4.334000      0.5369000      0.3533000      0.7134000
  1 1 1      10  -13   10 o    1.699000      0.4946000       2.207000 0.8022000       1.190000      0.5789000       1.017000      0.9892000
  1 1 1      10  -13   11 o    3.386000      0.5041000       3.204000 0.7497000       3.568000      0.6741000     -0.3637000       1.008000
  1 1 1      10  -13   12 o    2.506000      0.5723000       2.815000 0.8174000       2.198000      0.8012000      0.6174000       1.145000
  1 1 1      10  -13   13 o    9.131000      0.2889000       9.151000 0.3928000       9.111000      0.4238000      0.4009000E-01  0.5778000
  1 1 1      10  -13   14 o    4.783000      0.3803000       5.492000 0.4225000       4.074000      0.6326000       1.417000      0.7607000
  1 1 1      10  -13   15 o    5.462000      0.2956000       6.166000 0.3546000       4.759000      0.4731000       1.407000      0.5912000
  1 1 1      10  -13   16 o    6.838000      0.2248000       6.735000 0.3248000       6.941000      0.3109000     -0.2062000      0.4497000
  1 1 1      10  -13   17 o    4.955000      0.2454000       4.816000 0.3587000       5.094000      0.3350000     -0.2782000      0.4908000
  1 1 1      10  -13   18 o    9.205000      0.2276000       9.430000 0.3373000       8.979000      0.3056000      0.4510000      0.4552000
  1 1 1      10  -13   19 o    7.337000      0.2316000       7.129000 0.3512000       7.545000      0.3021000     -0.4165000      0.4632000
  1 1 1      10  -13   20 o    2.874000      0.4367000       2.398000 0.7606000       3.349000      0.4292000     -0.9507000      0.8733000
  1 1 1      10  -13   21 o    4.913000      0.2972000       5.126000 0.4705000       4.701000      0.3633000      0.4257000      0.5944000
  1 1 1      10  -13   22 o    5.694000      0.3086000       5.774000 0.5045000       5.614000      0.3553000      0.1601000      0.6171000
  1 1 1      10  -13   23 o    2.248000      0.5346000       1.981000 0.8043000       2.514000      0.7045000     -0.5326000       1.069000
  1 1 1      10  -13   24 o    2.809000      0.5476000       2.837000 0.8512000       2.782000      0.6893000      0.5485000E-01   1.095000
  1 1 1      10  -13   25 o    2.511000      0.5701000       2.478000 0.8713000       2.543000      0.7354000     -0.6420000E-01   1.140000
  1 1 1      10  -13   26 o    3.087000      0.5133000       2.593000 0.8589000       3.580000      0.5622000     -0.9874000       1.027000
  1 1 1      10  -13   27 o    2.449000      0.5541000       2.479000 0.8305000       2.419000      0.7336000      0.5984000E-01   1.108000
  1 1 1      10  -13   28 o    2.452000      0.5543000       2.811000 0.8100000       2.092000      0.7568000      0.7194000       1.109000
  1 1 1      10  -13   29 o    2.764000      0.5475000       2.486000 0.8172000       3.042000      0.7289000     -0.5561000       1.095000
  1 1 1      10  -13   30 o    1.943000      0.5378000       1.742000 0.7387000       2.145000      0.7819000     -0.4028000       1.076000
  1 1 1      10  -13   31 o    2.600000      0.7034000       2.287000 0.9564000       2.913000       1.032000     -0.6258000       1.407000
  1 1 1      10  -12    0 o    2.912000      0.4550000       2.955000 0.6411000       2.870000      0.6458000      0.8491000E-01  0.9100000
  1 1 1      10  -12    1 o    4.004000      0.3508000       3.509000 0.5581000       4.499000      0.4253000     -0.9896000      0.7017000
  1 1 1      10  -12    2 o    5.045000      0.2184000       5.192000 0.2851000       4.897000      0.3310000      0.2951000      0.4368000
  1 1 1      10  -12    3 o    3.671000      0.2911000       4.070000 0.3456000       3.273000      0.4685000      0.7967000      0.5822000
  1 1 1      10  -12    4 o    1.371000      0.4030000       1.393000 0.5565000       1.350000      0.5830000      0.4288000E-01  0.8060000
  1 1 1      10  -12    5 o    2.612000      0.4237000       2.868000 0.4931000       2.355000      0.6892000      0.5139000      0.8474000
  1 1 1      10  -12    6 o    2.262000      0.4586000       2.012000 0.6218000       2.511000      0.6744000     -0.4985000      0.9173000
  1 1 1      10  -12    7 o    4.714000      0.2760000       4.576000 0.3664000       4.851000      0.4128000     -0.2746000      0.5520000
  1 1 1      10  -12    8 o    5.799000      0.2559000       5.649000 0.3561000       5.950000      0.3677000     -0.3008000      0.5119000
  1 1 1      10  -12    9 o    3.217000      0.3993000       3.007000 0.5881000       3.428000      0.5401000     -0.4205000      0.7985000
  1 1 1      10  -12   10 o    2.228000      0.5388000       1.975000 0.7527000       2.481000      0.7710000     -0.5056000       1.078000
  1 1 1      10  -12   11 o    2.035000      0.5455000       2.062000 0.7713000       2.009000      0.7718000      0.5305000E-01   1.091000
  1 1 1      10  -12   12 o    4.990000      0.3560000       5.315000 0.4969000       4.665000      0.5099000      0.6501000      0.7120000
  1 1 1      10  -12   13 o    7.625000      0.3007000       7.555000 0.4122000       7.695000      0.4379000     -0.1405000      0.6014000
  1 1 1      10  -12   14 o    2.941000      0.5282000       3.430000 0.5805000       2.451000      0.8826000      0.9783000       1.056000
  1 1 1      10  -12   15 o    3.091000      0.4077000       3.227000 0.5309000       2.955000      0.6188000      0.2718000      0.8153000
  1 1 1      10  -12   16 o    4.324000      0.2611000       4.264000 0.3780000       4.385000      0.3603000     -0.1207000      0.5222000
  1 1 1      10  -12   17 o    1.804000      0.4268000       1.518000 0.5991000       2.091000      0.6081000     -0.5734000      0.8536000
  1 1 1      10  -12   18 o    10.21000      0.2316000       10.31000 0.3462000       10.11000      0.3076000      0.2020000      0.4632000
  1 1 1      10  -12   19 o    7.397000      0.2230000       7.153000 0.3359000       7.641000      0.2933000     -0.4882000      0.4459000
  1 1 1      10  -12   20 o    8.192000      0.2367000       7.981000 0.3616000       8.404000      0.3056000     -0.4234000      0.4734000
  1 1 1      10  -12   21 f    8.645000      0.2467000       8.567000 0.3806000       8.724000      0.3139000     -0.1571000      0.4933000
  1 1 1      10  -12   22 o    3.897000      0.4034000       4.067000 0.6736000       3.726000      0.4442000      0.3405000      0.8069000
  1 1 1      10  -12   23 o    9.685000      0.2857000       9.700000 0.4389000       9.671000      0.3659000      0.2897000E-01  0.5714000
  1 1 1      10  -12   24 o    3.165000      0.4796000       2.591000 0.8425000       3.740000      0.4584000      -1.148000      0.9591000
  1 1 1      10  -12   25 o    6.648000      0.2657000       6.063000 0.4304000       7.232000      0.3116000      -1.169000      0.5314000
  1 1 1      10  -12   26 o    3.693000      0.4058000       3.698000 0.6319000       3.687000      0.5092000      0.1091000E-01  0.8115000
  1 1 1      10  -12   27 o    2.168000      0.5368000       2.090000 0.8089000       2.246000      0.7060000     -0.1559000       1.074000
  1 1 1      10  -12   28 o    2.923000      0.5064000       2.379000 0.8300000       3.468000      0.5804000      -1.089000       1.013000
  1 1 1      10  -12   29 o    2.739000      0.5172000       2.858000 0.7327000       2.619000      0.7301000      0.2389000       1.034000
  1 1 1      10  -12   30 o    1.904000      0.4932000       1.334000 0.6235000       2.473000      0.7643000      -1.139000      0.9864000
  1 1 1      10  -12   31 o    2.234000      0.7699000       2.234000 0.7699000                  ?              ?              ?              ?
  1 1 1      10  -11    0 o    3.710000      0.2538000       3.828000 0.3367000       3.592000      0.3797000      0.2361000      0.5075000
  1 1 1      10  -11    1 o    5.305000      0.2000000       5.390000 0.2712000       5.220000      0.2940000      0.1700000      0.4000000
  1 1 1      10  -11    2 o    12.16000      0.1992000       12.16000 0.2783000       12.16000      0.2850000     -0.3901000E-03  0.3983000
  1 1 1      10  -11    3 o    7.073000      0.1764000       7.218000 0.2461000       6.929000      0.2528000      0.2893000      0.3528000
  1 1 1      10  -11    4 o    6.651000      0.1937000       6.569000 0.2626000       6.732000      0.2849000     -0.1629000      0.3875000
  1 1 1      10  -11    5 o    1.496000      0.3816000       1.834000 0.5491000       1.157000      0.5299000      0.6767000      0.7631000
  1 1 1      10  -11    6 o    5.318000      0.2298000       5.152000 0.3008000       5.484000      0.3475000     -0.3319000      0.4596000
  1 1 1      10  -11    7 o    13.18000      0.2579000       12.97000 0.3088000       13.38000      0.4133000     -0.4165000      0.5159000
  1 1 1      10  -11    8 o    7.612000      0.2245000       7.593000 0.3018000       7.632000      0.3323000     -0.3964000E-01  0.4489000
  1 1 1      10  -11    9 o    7.438000      0.2284000       7.462000 0.3127000       7.414000      0.3331000      0.4820000E-01  0.4569000
  1 1 1      10  -11   10 o    9.567000      0.2645000       9.219000 0.3771000       9.914000      0.3710000     -0.6943000      0.5290000
  1 1 1      10  -11   11 o    15.53000      0.3322000       15.59000 0.4770000       15.47000      0.4624000      0.1251000      0.6644000
  1 1 1      10  -11   12 o    7.673000      0.2782000       7.672000 0.4165000       7.673000      0.3690000     -0.7892000E-03  0.5564000
  1 1 1      10  -11   13 o    5.593000      0.3348000       5.398000 0.4868000       5.787000      0.4598000     -0.3889000      0.6696000
  1 1 1      10  -11   14 o    2.571000      0.4778000       3.231000 0.6059000       1.911000      0.7391000       1.321000      0.9557000
  1 1 1      10  -11   15 o    7.024000      0.2225000       7.014000 0.3111000       7.034000      0.3182000     -0.2020000E-01  0.4450000
  1 1 1      10  -11   16 o    11.24000      0.2288000       11.29000 0.3393000       11.19000      0.3071000      0.1007000      0.4576000
  1 1 1      10  -11   17 o    3.715000      0.2695000       3.660000 0.3988000       3.771000      0.3626000     -0.1113000      0.5390000
  1 1 1      10  -11   18 f    3.131000      0.3289000       3.869000 0.4265000       2.393000      0.5009000       1.476000      0.6579000
  1 1 1      10  -11   19 o    3.669000      0.5793000       2.466000 1.116000       4.873000      0.3114000      -2.407000       1.159000
  1 1 1      10  -11   20 o    3.805000      0.3251000       3.474000 0.5489000       4.136000      0.3484000     -0.6621000      0.6502000
  1 1 1      10  -11   21 o    11.34000      0.2691000       11.02000 0.3881000       11.66000      0.3728000     -0.6310000      0.5382000
  1 1 1      10  -11   22 o    8.033000      0.2489000       8.262000 0.3958000       7.805000      0.3019000      0.4575000      0.4978000
  1 1 1      10  -11   23 o    7.987000      0.2726000       8.211000 0.4543000       7.762000      0.3012000      0.4492000      0.5451000
  1 1 1      10  -11   24 o    2.950000      0.4873000       3.321000 0.7477000       2.579000      0.6251000      0.7416000      0.9746000
  1 1 1      10  -11   25 o    12.17000      0.2696000       12.34000 0.4567000       12.00000      0.2867000      0.3365000      0.5393000
  1 1 1      10  -11   26 o    2.087000      0.4944000       1.922000 0.7451000       2.252000      0.6502000     -0.3300000      0.9889000
  1 1 1      10  -11   27 o    1.607000      0.4607000       2.130000 0.7616000       1.084000      0.5184000       1.046000      0.9213000
  1 1 1      10  -11   28 o    2.862000      0.4510000       3.680000 0.5667000       2.045000      0.7017000       1.635000      0.9020000
  1 1 1      10  -11   29 o    4.497000      0.3187000       4.446000 0.4836000       4.548000      0.4151000     -0.1012000      0.6374000
  1 1 1      10  -11   30 o    3.789000      0.3999000       3.905000 0.5853000       3.673000      0.5452000      0.2319000      0.7999000
  1 1 1      10  -11   31 o    2.379000      0.7737000       2.379000 0.7737000                  ?              ?              ?              ?
  1 1 1      10  -11   32 o    2.794000      0.4945000       3.289000 0.6481000       2.298000      0.7471000      0.9917000      0.9891000
  1 1 1      10  -10    0 o    6.266000      0.1761000       6.240000 0.2412000       6.292000      0.2566000     -0.5221000E-01  0.3522000
  1 1 1      10  -10    1 o    4.064000      0.2212000       3.795000 0.3222000       4.334000      0.3030000     -0.5386000      0.4423000
  1 1 1      10  -10    2 f    9.364000      0.1751000       9.301000 0.2430000       9.426000      0.2521000     -0.1254000      0.3501000
  1 1 1      10  -10    3 o    6.205000      0.2405000       6.205000 0.2405000                  ?              ?              ?              ?
  1 1 1      10  -10    4 o    7.289000      0.1784000       7.554000 0.2394000       7.024000      0.2646000      0.5304000      0.3569000
  1 1 1      10  -10    5 o    3.885000      0.3759000                  ?       ?   3.885000      0.3759000                  ?              ?
  1 1 1      10  -10    6 o    2.179000      0.4019000       1.900000 0.5692000       2.459000      0.5675000     -0.5592000      0.8038000
  1 1 1      10  -10    7 o    9.500000      0.2009000       9.614000 0.2717000       9.385000      0.2960000      0.2293000      0.4017000
  1 1 1      10  -10    8 o    4.579000      0.5096000       4.062000 0.9590000       5.095000      0.3453000      -1.033000       1.019000
  1 1 1      10  -10    9 o    7.088000      0.2215000       6.624000 0.2948000       7.552000      0.3308000     -0.9281000      0.4431000
  1 1 1      10  -10   10 o    8.868000      0.2287000       8.488000 0.3131000       9.249000      0.3335000     -0.7617000      0.4575000
  1 1 1      10  -10   11 o    10.72000      0.2586000       10.34000 0.3524000       11.10000      0.3785000     -0.7646000      0.5172000
  1 1 1      10  -10   12 o    7.187000      0.2686000       6.819000 0.4081000       7.554000      0.3495000     -0.7350000      0.5373000
  1 1 1      10  -10   13 o    8.473000      0.2389000       8.504000 0.3196000       8.442000      0.3551000      0.6169000E-01  0.4777000
  1 1 1      10  -10   14 o    6.175000      0.2384000       6.203000 0.3337000       6.148000      0.3405000      0.5534000E-01  0.4768000
  1 1 1      10  -10   15 o    6.625000      0.2133000       6.862000 0.2973000       6.387000      0.3059000      0.4754000      0.4265000
  1 1 1      10  -10   16 o    7.286000      0.1945000       7.069000 0.2826000       7.503000      0.2673000     -0.4343000      0.3890000
  1 1 1      10  -10   17 o    5.167000      0.2156000       5.174000 0.3106000       5.160000      0.2990000      0.1337000E-01  0.4312000
  1 1 1      10  -10   18 o    6.811000      0.2082000       7.023000 0.3157000       6.599000      0.2715000      0.4238000      0.4164000
  1 1 1      10  -10   19 o    6.131000      0.2244000       6.438000 0.3441000       5.825000      0.2882000      0.6130000      0.4489000
  1 1 1      10  -10   20 o    4.156000      0.3102000       3.528000 0.5265000       4.784000      0.3281000      -1.256000      0.6204000
  1 1 1      10  -10   21 o    10.54000      0.2446000       10.64000 0.3834000       10.43000      0.3038000      0.2091000      0.4892000
  1 1 1      10  -10   22 o    8.949000      0.2248000       8.741000 0.3499000       9.158000      0.2822000     -0.4162000      0.4495000
  1 1 1      10  -10   23 f    2.797000      0.4721000       3.222000 0.7060000       2.373000      0.6269000      0.8494000      0.9441000
  1 1 1      10  -10   24 f    6.477000      0.2186000       6.652000 0.3363000       6.302000      0.2795000      0.3494000      0.4373000
  1 1 1      10  -10   25 o    5.191000      0.2599000       4.775000 0.4298000       5.606000      0.2923000     -0.8310000      0.5198000
  1 1 1      10  -10   26 o    8.946000      0.2001000       9.042000 0.3042000       8.850000      0.2599000      0.1924000      0.4001000
  1 1 1      10  -10   27 o    3.618000      0.3198000       3.266000 0.5284000       3.971000      0.3603000     -0.7047000      0.6395000
  1 1 1      10  -10   28 o    2.233000      0.4590000       2.208000 0.6793000       2.258000      0.6175000     -0.5005000E-01  0.9180000
  1 1 1      10  -10   29 o    7.556000      0.2420000       7.825000 0.3783000       7.286000      0.3020000      0.5385000      0.4841000
  1 1 1      10  -10   30 o    1.980000      0.5114000       1.921000 0.7189000       2.039000      0.7275000     -0.1174000       1.023000
  1 1 1      10  -10   31 o    3.466000      0.4338000       3.726000 0.5517000       3.205000      0.6696000      0.5210000      0.8676000
  1 1 1      10  -10   32 o    4.226000      0.3655000       4.154000 0.5215000       4.299000      0.5124000     -0.1449000      0.7311000
  1 1 1      10  -10   33 o    4.481000      0.7127000       4.481000 0.7127000                  ?              ?              ?              ?
  1 1 1      10   -9    0 o    4.880000      0.1946000       5.104000 0.2616000       4.656000      0.2882000      0.4481000      0.3892000
  1 1 1      10   -9    1 o    7.125000      0.1677000       7.211000 0.2334000       7.038000      0.2410000      0.1729000      0.3355000
  1 1 1      10   -9    2 o    9.010000      0.1702000       8.897000 0.2328000       9.122000      0.2484000     -0.2249000      0.3404000
  1 1 1      10   -9    3 o    6.614000      0.2095000       6.909000 0.2256000       6.318000      0.3532000      0.5915000      0.4191000
  1 1 1      10   -9    4 o    5.883000      0.1674000       5.908000 0.2317000       5.858000      0.2416000      0.4973000E-01  0.3347000
  1 1 1      10   -9    5 o    4.133000      0.2034000       3.589000 0.2751000       4.676000      0.2997000      -1.086000      0.4068000
  1 1 1      10   -9    6 o    7.798000      0.1722000       7.906000 0.2355000       7.689000      0.2513000      0.2171000      0.3444000
  1 1 1      10   -9    7 o    10.10000      0.1962000       10.34000 0.2641000       9.861000      0.2903000      0.4777000      0.3924000
  1 1 1      10   -9    8 o    2.123000      0.3961000       2.401000 0.5049000       1.846000      0.6105000      0.5547000      0.7922000
  1 1 1      10   -9    9 o    10.12000      0.2212000       10.40000 0.2970000       9.843000      0.3278000      0.5556000      0.4424000
  1 1 1      10   -9   10 o    4.192000      0.2600000       3.922000 0.3811000       4.463000      0.3538000     -0.5407000      0.5200000
  1 1 1      10   -9   11 o    9.601000      0.2408000       9.113000 0.3224000       10.09000      0.3579000     -0.9753000      0.4817000
  1 1 1      10   -9   12 o    5.751000      0.2471000       5.864000 0.3559000       5.638000      0.3428000      0.2264000      0.4941000
  1 1 1      10   -9   13 o    5.223000      0.2839000       5.529000 0.3779000       4.918000      0.4236000      0.6107000      0.5677000
  1 1 1      10   -9   14 o    4.031000      0.3086000       4.522000 0.3754000       3.540000      0.4898000      0.9827000      0.6172000
  1 1 1      10   -9   15 o    6.735000      0.1978000       6.682000 0.2841000       6.788000      0.2754000     -0.1059000      0.3957000
  1 1 1      10   -9   16 o    2.689000      0.3129000       2.920000 0.4225000       2.458000      0.4617000      0.4623000      0.6258000
  1 1 1      10   -9   17 o    5.579000      0.1958000       5.520000 0.2982000       5.638000      0.2537000     -0.1173000      0.3915000
  1 1 1      10   -9   18 o    5.167000      0.2171000       5.241000 0.3368000       5.093000      0.2740000      0.1479000      0.4342000
  1 1 1      10   -9   19 o    4.618000      0.2579000       4.206000 0.4256000       5.030000      0.2916000     -0.8244000      0.5159000
  1 1 1      10   -9   20 o    16.47000      0.3061000       16.72000 0.4850000       16.22000      0.3735000      0.4926000      0.6122000
  1 1 1      10   -9   21 o    7.338000      0.2241000       7.090000 0.3530000       7.586000      0.2762000     -0.4956000      0.4482000
  1 1 1      10   -9   22 o    4.778000      0.2763000       5.071000 0.4432000       4.484000      0.3302000      0.5875000      0.5527000
  1 1 1      10   -9   23 o    8.629000      0.1950000       8.493000 0.3033000       8.764000      0.2451000     -0.2717000      0.3900000
  1 1 1      10   -9   24 o    7.147000      0.1929000       7.297000 0.2992000       6.997000      0.2435000      0.3002000      0.3858000
  1 1 1      10   -9   25 o    3.017000      0.3775000       3.440000 0.5295000       2.594000      0.5382000      0.8459000      0.7550000
  1 1 1      10   -9   26 o    6.310000      0.1869000       6.192000 0.2772000       6.427000      0.2508000     -0.2354000      0.3738000
  1 1 1      10   -9   27 o    1.222000      0.3783000       1.081000 0.5063000       1.363000      0.5623000     -0.2822000      0.7567000
  1 1 1      10   -9   28 f    1.917000      0.4512000       2.228000 0.6528000       1.606000      0.6230000      0.6218000      0.9024000
  1 1 1      10   -9   29 o    2.914000      0.3952000       2.120000 0.6640000       3.708000      0.4289000      -1.588000      0.7905000
  1 1 1      10   -9   30 o    7.480000      0.2183000       7.167000 0.3175000       7.792000      0.2996000     -0.6251000      0.4366000
  1 1 1      10   -9   31 o    4.981000      0.2897000       4.685000 0.4214000       5.276000      0.3976000     -0.5908000      0.5794000
  1 1 1      10   -9   32 o    4.802000      0.3071000       4.957000 0.4069000       4.648000      0.4601000      0.3082000      0.6142000
  1 1 1      10   -9   33 o    2.079000      0.5074000       1.658000 0.6932000       2.500000      0.7411000     -0.8425000       1.015000
  1 1 1      10   -8    0 o    11.54000      0.1924000       11.63000 0.2724000       11.44000      0.2719000      0.1937000      0.3849000
  1 1 1      10   -8    1 o    10.78000      0.1826000       10.97000 0.2581000       10.60000      0.2583000      0.3663000      0.3652000
  1 1 1      10   -8    2 o    3.705000      0.2138000       4.020000 0.2706000       3.391000      0.3310000      0.6284000      0.4275000
  1 1 1      10   -8    3 o    3.560000      0.2145000       3.766000 0.2735000       3.355000      0.3305000      0.4105000      0.4290000
  1 1 1      10   -8    4 o    11.65000      0.1851000       11.69000 0.2601000       11.62000      0.2633000      0.6962000E-01  0.3701000
  1 1 1      10   -8    5 o    4.868000      0.1713000       4.636000 0.2412000       5.099000      0.2433000     -0.4631000      0.3426000
  1 1 1      10   -8    6 o    20.22000      0.2848000       20.09000 0.3982000       20.34000      0.4073000     -0.2477000      0.5696000
  1 1 1      10   -8    7 o    5.147000      0.1831000       5.221000 0.2368000       5.074000      0.2792000      0.1466000      0.3661000
  1 1 1      10   -8    8 o    11.59000      0.2038000       11.56000 0.2699000       11.63000      0.3056000     -0.6328000E-01  0.4077000
  1 1 1      10   -8    9 o    4.800000      0.2162000       4.678000 0.2884000       4.921000      0.3222000     -0.2429000      0.4324000
  1 1 1      10   -8   10 o    6.321000      0.2033000       6.209000 0.2827000       6.433000      0.2924000     -0.2237000      0.4067000
  1 1 1      10   -8   11 o    4.050000      0.2794000       4.395000 0.3798000       3.705000      0.4099000      0.6899000      0.5588000
  1 1 1      10   -8   12 o    1.533000      0.4384000       1.995000 0.7145000       1.072000      0.5080000      0.9224000      0.8767000
  1 1 1      10   -8   13 o    1.689000      0.4905000       1.822000 0.7349000       1.556000      0.6499000      0.2652000      0.9811000
  1 1 1      10   -8   14 o    4.690000      0.5461000       4.291000 0.9271000       5.088000      0.5775000     -0.7966000       1.092000
  1 1 1      10   -8   15 o    4.239000      0.7151000       3.162000 1.295000       5.316000      0.6072000      -2.155000       1.430000
  1 1 1      10   -8   17 o    3.616000      0.9801000       3.915000 1.537000       3.318000       1.217000      0.5970000       1.960000
  1 1 1      10   -8   18 o    3.301000       1.059000       3.886000 1.777000       2.717000       1.154000       1.169000       2.119000
  1 1 1      10   -8   19 o    6.789000       1.050000       5.570000 1.964000       8.009000      0.7414000      -2.439000       2.100000
  1 1 1      10   -8   21 o    2.433000      0.7332000       3.275000 1.266000       1.592000      0.7404000       1.683000       1.466000
  1 1 1      10   -8   22 o    10.85000      0.3102000       10.37000 0.4751000       11.32000      0.3988000     -0.9525000      0.6203000
  1 1 1      10   -8   23 o    13.28000      0.2893000       13.19000 0.4195000       13.38000      0.3984000     -0.1926000      0.5785000
  1 1 1      10   -8   24 o    5.545000      0.2599000       6.005000 0.3680000       5.086000      0.3672000      0.9188000      0.5199000
  1 1 1      10   -8   25 o    7.844000      0.1708000       7.556000 0.2536000       8.131000      0.2287000     -0.5742000      0.3415000
  1 1 1      10   -8   26 o    1.159000      0.3634000       1.182000 0.5238000       1.137000      0.5038000      0.4463000E-01  0.7268000
  1 1 1      10   -8   27 o    1.989000      0.4074000       1.698000 0.5966000       2.280000      0.5549000     -0.5819000      0.8148000
  1 1 1      10   -8   28 o    5.577000      0.2019000       5.344000 0.2870000       5.811000      0.2839000     -0.4664000      0.4037000
  1 1 1      10   -8   29 o    9.616000      0.1945000       9.789000 0.2838000       9.443000      0.2659000      0.3457000      0.3889000
  1 1 1      10   -8   30 f    11.20000      0.2097000       10.98000 0.2966000       11.42000      0.2965000     -0.4379000      0.4194000
  1 1 1      10   -8   31 o    2.378000      0.4758000       1.826000 0.6796000       2.930000      0.6661000      -1.105000      0.9515000
  1 1 1      10   -8   32 o    2.235000      0.6854000       2.235000 0.6854000                  ?              ?              ?              ?
  1 1 1      10   -8   33 o    3.980000      0.3668000       4.074000 0.4943000       3.887000      0.5420000      0.1875000      0.7335000
  1 1 1      10   -8   34 o    3.781000      0.5459000       2.674000 0.9876000       4.888000      0.4657000      -2.215000       1.092000
  1 1 1      10   -7    0 o    6.559000      0.2285000       6.964000 0.2427000       6.155000      0.3872000      0.8095000      0.4570000
  1 1 1      10   -7    1 o    11.91000      0.1920000       12.06000 0.2721000       11.76000      0.2711000      0.3026000      0.3841000
  1 1 1      10   -7    2 o    4.946000      0.1767000       4.777000 0.2539000       5.116000      0.2457000     -0.3386000      0.3533000
  1 1 1      10   -7    3 o    9.299000      0.1647000       9.421000 0.2322000       9.177000      0.2336000      0.2443000      0.3294000
  1 1 1      10   -7    4 o    14.51000      0.2137000       14.71000 0.3051000       14.31000      0.2994000      0.3956000      0.4274000
  1 1 1      10   -7    5 o    6.195000      0.1527000       6.252000 0.2123000       6.139000      0.2196000      0.1136000      0.3055000
  1 1 1      10   -7    6 o    11.67000      0.1819000       11.41000 0.2507000       11.92000      0.2635000     -0.5160000      0.3637000
  1 1 1      10   -7    7 o    7.228000      0.1611000       7.296000 0.2194000       7.160000      0.2359000      0.1356000      0.3222000
  1 1 1      10   -7    8 o    6.442000      0.1977000       6.457000 0.2715000       6.426000      0.2876000      0.3097000E-01  0.3955000
  1 1 1      10   -7    9 o    7.052000      0.1980000       7.030000 0.2736000       7.073000      0.2864000     -0.4274000E-01  0.3960000
  1 1 1      10   -7   10 o    2.004000      0.3873000       1.672000 0.5638000       2.336000      0.5311000     -0.6643000      0.7745000
  1 1 1      10   -7   11 o    7.135000      0.2037000       7.029000 0.2804000       7.242000      0.2955000     -0.2139000      0.4074000
  1 1 1      10   -7   12 o    6.783000      0.2204000       6.773000 0.3080000       6.792000      0.3154000     -0.1949000E-01  0.4408000
  1 1 1      10   -7   13 o    7.615000      0.1962000       7.655000 0.2580000       7.576000      0.2958000      0.7848000E-01  0.3925000
  1 1 1      10   -7   14 o    6.281000      0.1803000       6.602000 0.2481000       5.960000      0.2617000      0.6422000      0.3606000
  1 1 1      10   -7   15 o    9.904000      0.1970000       10.36000 0.3099000       9.445000      0.2432000      0.9185000      0.3940000
  1 1 1      10   -7   16 o    7.372000      0.1762000       7.554000 0.2613000       7.190000      0.2366000      0.3635000      0.3525000
  1 1 1      10   -7   17 o    6.612000      0.1830000       6.245000 0.2698000       6.979000      0.2473000     -0.7339000      0.3660000
  1 1 1      10   -7   18 o    3.688000      0.2401000       3.780000 0.3840000       3.596000      0.2883000      0.1841000      0.4801000
  1 1 1      10   -7   19 o    3.972000      0.2692000       4.224000 0.4298000       3.720000      0.3241000      0.5039000      0.5383000
  1 1 1      10   -7   20 o    4.525000      0.6598000       3.585000 1.294000       5.465000      0.2597000      -1.879000       1.320000
  1 1 1      10   -7   21 o    10.66000      0.2043000       10.48000 0.3129000       10.84000      0.2629000     -0.3605000      0.4087000
  1 1 1      10   -7   22 o    16.52000      0.2993000       16.97000 0.5018000       16.07000      0.3263000      0.8952000      0.5986000
  1 1 1      10   -7   23 o    8.566000      0.1710000       8.661000 0.2568000       8.472000      0.2260000      0.1888000      0.3421000
  1 1 1      10   -7   24 f    4.623000      0.1845000       4.452000 0.2778000       4.793000      0.2427000     -0.3419000      0.3689000
  1 1 1      10   -7   25 o    7.919000      0.2041000       7.934000 0.2889000       7.905000      0.2883000      0.2902000E-01  0.4081000
  1 1 1      10   -7   26 o    3.950000      0.2556000       3.581000 0.3739000       4.320000      0.3487000     -0.7390000      0.5113000
  1 1 1      10   -7   27 o    3.049000      0.3477000       3.051000 0.4715000       3.047000      0.5110000      0.4129000E-02  0.6953000
  1 1 1      10   -7   28 o    11.25000      0.2496000       11.53000 0.3538000       10.97000      0.3521000      0.5599000      0.4992000
  1 1 1      10   -7   29 o    6.155000      0.1989000       6.052000 0.2844000       6.259000      0.2782000     -0.2071000      0.3979000
  1 1 1      10   -7   30 o    7.006000      0.1985000       6.970000 0.2849000       7.042000      0.2767000     -0.7198000E-01  0.3971000
  1 1 1      10   -7   31 o    6.866000      0.2206000       6.976000 0.3103000       6.755000      0.3136000      0.2204000      0.4411000
  1 1 1      10   -7   32 o    5.351000      0.3920000       5.351000 0.3920000                  ?              ?              ?              ?
  1 1 1      10   -7   33 o    4.590000      0.3153000       4.617000 0.4390000       4.563000      0.4527000      0.5473000E-01  0.6306000
  1 1 1      10   -7   34 o    2.376000      0.7580000                  ?       ?   2.376000      0.7580000                  ?              ?
  1 1 1      10   -6    0 f    16.42000      0.2420000       16.56000 0.3436000       16.28000      0.3407000      0.2729000      0.4839000
  1 1 1      10   -6    1 o    16.50000      0.2410000       16.57000 0.3411000       16.44000      0.3407000      0.1233000      0.4821000
  1 1 1      10   -6    2 o    6.428000      0.1612000       6.206000 0.2282000       6.650000      0.2278000     -0.4432000      0.3224000
  1 1 1      10   -6    3 o    16.96000      0.2437000       16.74000 0.3402000       17.18000      0.3489000     -0.4326000      0.4873000
  1 1 1      10   -6    4 o    3.636000      0.2760000       3.636000 0.2760000                  ?              ?              ?              ?
  1 1 1      10   -6    5 o    13.57000      0.2903000       13.50000 0.4043000       13.64000      0.4167000     -0.1397000      0.5806000
  1 1 1      10   -6    6 o    4.378000      0.3731000                  ?       ?   4.378000      0.3731000                  ?              ?
  1 1 1      10   -6    7 o    7.806000      0.1452000       7.888000 0.2007000       7.724000      0.2100000      0.1642000      0.2905000
  1 1 1      10   -6    8 o    9.283000      0.1621000       9.325000 0.2218000       9.240000      0.2364000      0.8498000E-01  0.3242000
  1 1 1      10   -6    9 o    10.93000      0.1904000       10.92000 0.2528000       10.93000      0.2848000     -0.1542000E-01  0.3808000
  1 1 1      10   -6   10 o    6.249000      0.1852000       6.279000 0.2433000       6.220000      0.2792000      0.5848000E-01  0.3703000
  1 1 1      10   -6   11 o    7.856000      0.6926000       7.856000 0.6926000                  ?              ?              ?              ?
  1 1 1      10   -6   12 o    10.55000      0.5767000       10.45000 0.5292000       10.66000       1.025000     -0.2146000       1.153000
  1 1 1      10   -6   13 o    4.231000      0.5890000       4.622000 0.4791000       3.840000       1.076000      0.7816000       1.178000
  1 1 1      10   -6   14 o    6.004000      0.1995000       5.749000 0.2623000       6.259000      0.3008000     -0.5095000      0.3991000
  1 1 1      10   -6   15 o    8.956000      0.1933000       9.182000 0.2758000       8.730000      0.2709000      0.4515000      0.3866000
  1 1 1      10   -6   16 o    8.897000      0.1949000       9.239000 0.2858000       8.556000      0.2650000      0.6833000      0.3897000
  1 1 1      10   -6   17 o    4.990000      0.1756000       5.106000 0.2731000       4.874000      0.2208000      0.2320000      0.3512000
  1 1 1      10   -6   18 o    8.890000      0.2099000       8.987000 0.3058000       8.794000      0.2875000      0.1927000      0.4197000
  1 1 1      10   -6   19 o    4.824000      0.2304000       4.772000 0.3745000       4.875000      0.2685000     -0.1035000      0.4608000
  1 1 1      10   -6   20 o    11.48000      0.2563000       11.49000 0.3724000       11.48000      0.3523000      0.1243000E-01  0.5126000
  1 1 1      10   -6   21 o    13.29000      0.2863000       13.45000 0.4167000       13.12000      0.3928000      0.3304000      0.5727000
  1 1 1      10   -6   22 o    7.315000      0.2519000       6.985000 0.3940000       7.645000      0.3141000     -0.6600000      0.5038000
  1 1 1      10   -6   23 o    1.624000      0.4507000       1.410000 0.6444000       1.837000      0.6303000     -0.4274000      0.9014000
  1 1 1      10   -6   24 o    2.210000      0.4858000       1.719000 0.7502000       2.700000      0.6174000     -0.9806000      0.9716000
  1 1 1      10   -6   25 o    7.878000      0.1610000       7.694000 0.2315000       8.062000      0.2239000     -0.3678000      0.3221000
  1 1 1      10   -6   26 o    8.369000      0.1658000       8.244000 0.2390000       8.493000      0.2299000     -0.2483000      0.3316000
  1 1 1      10   -6   27 o    9.402000      0.1783000       9.457000 0.2573000       9.346000      0.2469000      0.1109000      0.3567000
  1 1 1      10   -6   28 o    9.015000      0.2201000       9.097000 0.3011000       8.933000      0.3210000      0.1632000      0.4401000
  1 1 1      10   -6   29 o    1.812000      0.4659000       1.721000 0.6308000       1.903000      0.6858000     -0.1819000      0.9318000
  1 1 1      10   -6   30 o    2.140000      0.5089000       2.214000 0.6662000       2.066000      0.7695000      0.1489000       1.018000
  1 1 1      10   -6   31 o    8.878000      0.2041000       8.700000 0.2927000       9.056000      0.2846000     -0.3564000      0.4083000
  1 1 1      10   -6   32 o    3.263000      0.4254000       3.877000 0.4887000       2.649000      0.6964000       1.228000      0.8508000
  1 1 1      10   -6   33 o    3.416000      0.4021000       3.707000 0.4829000       3.126000      0.6431000      0.5804000      0.8042000
  1 1 1      10   -6   34 o    3.362000      0.3715000       3.166000 0.4764000       3.558000      0.5702000     -0.3921000      0.7431000
  1 1 1      10   -5    0 o    13.68000      0.2128000       13.82000 0.3026000       13.53000      0.2993000      0.2871000      0.4256000
  1 1 1      10   -5    1 o    10.72000      0.1810000       10.67000 0.2554000       10.77000      0.2566000     -0.9491000E-01  0.3620000
  1 1 1      10   -5    2 o    23.10000      0.3206000       22.78000 0.4472000       23.41000      0.4594000     -0.6285000      0.6411000
  1 1 1      10   -5    3 o    12.90000      0.2842000       13.04000 0.3977000       12.76000      0.4061000      0.2793000      0.5684000
  1 1 1      10   -5    4 o    9.607000      0.2345000       10.17000 0.3397000       9.046000      0.3232000       1.122000      0.4689000
  1 1 1      10   -5    5 o    24.00000      0.3289000       23.85000 0.4620000       24.15000      0.4684000     -0.3009000      0.6579000
  1 1 1      10   -5    7 o    9.612000      0.2161000       9.737000 0.3070000       9.487000      0.3041000      0.2501000      0.4321000
  1 1 1      10   -5    8 o    13.10000      0.2772000       12.68000 0.3766000       13.52000      0.4068000     -0.8386000      0.5544000
  1 1 1      10   -5    9 o    1.288000      0.4342000       1.078000 0.5126000       1.498000      0.7011000     -0.4197000      0.8685000
  1 1 1      10   -5   10 o    2.903000      0.2366000       2.607000 0.3252000       3.199000      0.3438000     -0.5918000      0.4732000
  1 1 1      10   -5   11 o    11.57000      0.5144000       12.41000 0.2956000       10.74000      0.9855000       1.669000       1.029000
  1 1 1      10   -5   12 o    1.626000      0.3612000       1.401000 0.4981000       1.850000      0.5231000     -0.4488000      0.7223000
  1 1 1      10   -5   13 o    8.618000      0.1764000       8.826000 0.2338000       8.411000      0.2642000      0.4148000      0.3529000
  1 1 1      10   -5   14 o    6.121000      0.1530000       6.015000 0.2178000       6.227000      0.2149000     -0.2123000      0.3060000
  1 1 1      10   -5   15 o    5.714000      0.1462000       5.559000 0.2171000       5.870000      0.1960000     -0.3107000      0.2925000
  1 1 1      10   -5   16 o    8.281000      0.1731000       8.352000 0.2610000       8.210000      0.2274000      0.1418000      0.3462000
  1 1 1      10   -5   17 o    1.197000      0.3225000       1.723000 0.5533000      0.6716000      0.3316000       1.052000      0.6451000
  1 1 1      10   -5   18 o    3.842000      0.2327000       3.693000 0.3840000       3.991000      0.2628000     -0.2982000      0.4653000
  1 1 1      10   -5   19 o    2.397000      0.3654000       2.052000 0.6333000       2.742000      0.3645000     -0.6894000      0.7307000
  1 1 1      10   -5   20 o    2.024000      0.4084000       2.298000 0.6297000       1.749000      0.5201000      0.5489000      0.8167000
  1 1 1      10   -5   21 o    12.58000      0.1914000       12.64000 0.2780000       12.52000      0.2630000      0.1244000      0.3827000
  1 1 1      10   -5   22 o    7.334000      0.1454000       7.249000 0.2115000       7.419000      0.1996000     -0.1703000      0.2908000
  1 1 1      10   -5   23 o    7.044000      0.1490000       7.123000 0.2180000       6.965000      0.2031000      0.1579000      0.2980000
  1 1 1      10   -5   24 o    8.321000      0.1540000       8.457000 0.2210000       8.185000      0.2145000      0.2718000      0.3080000
  1 1 1      10   -5   25 o    10.34000      0.2748000       10.33000 0.4099000       10.35000      0.3660000     -0.1615000E-01  0.5495000
  1 1 1      10   -5   26 o    6.306000      0.3175000       5.971000 0.5071000       6.640000      0.3823000     -0.6693000      0.6351000
  1 1 1      10   -5   27 o    8.639000      0.1707000       8.742000 0.2520000       8.537000      0.2304000      0.2045000      0.3415000
  1 1 1      10   -5   28 o    4.569000      0.2288000       4.595000 0.3166000       4.543000      0.3305000      0.5274000E-01  0.4577000
  1 1 1      10   -5   29 o    4.353000      0.2491000       4.225000 0.3419000       4.480000      0.3623000     -0.2557000      0.4981000
  1 1 1      10   -5   30 o    3.099000      0.4483000       3.405000 0.5070000       2.792000      0.7396000      0.6131000      0.8967000
  1 1 1      10   -5   31 o    4.423000      0.3450000       4.180000 0.4331000       4.666000      0.5372000     -0.4860000      0.6900000
  1 1 1      10   -5   32 f    4.045000      0.4020000       4.468000 0.3931000       3.622000      0.7015000      0.8457000      0.8041000
  1 1 1      10   -5   33 o    3.274000      0.4170000       3.713000 0.5139000       2.836000      0.6569000      0.8769000      0.8340000
  1 1 1      10   -5   34 o    3.684000      0.3631000       3.530000 0.5344000       3.838000      0.4917000     -0.3088000      0.7262000
  1 1 1      10   -5   35 o    1.877000      0.4986000       1.893000 0.7148000       1.861000      0.6952000      0.3243000E-01  0.9971000
  1 1 1      10   -4    0 o    20.82000      0.2938000       20.91000 0.4170000       20.73000      0.4141000      0.1805000      0.5877000
  1 1 1      10   -4    1 o    11.19000      0.2657000       11.07000 0.3665000       11.30000      0.3848000     -0.2318000      0.5314000
  1 1 1      10   -4    2 o    14.86000      0.3145000       15.09000 0.4457000       14.63000      0.4439000      0.4677000      0.6291000
  1 1 1      10   -4    3 o    30.30000      0.4122000       30.13000 0.5794000       30.46000      0.5863000     -0.3379000      0.8243000
  1 1 1      10   -4    4 o    19.81000      0.2771000       19.60000 0.3874000       20.03000      0.3965000     -0.4271000      0.5543000
  1 1 1      10   -4    5 o    8.530000      0.2077000       8.532000 0.2983000       8.528000      0.2891000      0.4373000E-02  0.4154000
  1 1 1      10   -4    6 o    9.475000      0.2120000       9.659000 0.3060000       9.292000      0.2935000      0.3674000      0.4240000
  1 1 1      10   -4    7 o    6.210000      0.1332000       6.190000 0.1874000       6.230000      0.1893000     -0.4015000E-01  0.2664000
  1 1 1      10   -4    8 o    7.383000      0.1348000       7.407000 0.1875000       7.358000      0.1936000      0.4885000E-01  0.2695000
  1 1 1      10   -4    9 f    9.852000      0.1573000       9.956000 0.2182000       9.749000      0.2267000      0.2061000      0.3146000
  1 1 1      10   -4   10 o    12.27000      0.1946000       12.42000 0.2647000       12.11000      0.2853000      0.3111000      0.3892000
  1 1 1      10   -4   11 o    13.18000      0.2396000       12.97000 0.2903000       13.38000      0.3811000     -0.4065000      0.4791000
  1 1 1      10   -4   12 o    6.320000      0.1687000       6.342000 0.2251000       6.297000      0.2514000      0.4511000E-01  0.3374000
  1 1 1      10   -4   13 o    4.021000      0.1870000       4.389000 0.2370000       3.652000      0.2894000      0.7366000      0.3741000
  1 1 1      10   -4   14 o    10.37000      0.1969000       10.43000 0.2285000       10.30000      0.3208000      0.1340000      0.3938000
  1 1 1      10   -4   15 o    6.767000      0.1414000       6.901000 0.2121000       6.633000      0.1871000      0.2678000      0.2828000
  1 1 1      10   -4   16 o    7.039000      0.1637000       7.050000 0.2461000       7.027000      0.2158000      0.2297000E-01  0.3273000
  1 1 1      10   -4   17 o    7.327000      0.1804000       7.236000 0.2748000       7.419000      0.2338000     -0.1833000      0.3608000
  1 1 1      10   -4   18 o    2.369000      0.3387000       2.183000 0.5719000       2.556000      0.3632000     -0.3728000      0.6775000
  1 1 1      10   -4   19 o    6.982000      0.1765000       6.863000 0.2793000       7.101000      0.2160000     -0.2378000      0.3531000
  1 1 1      10   -4   20 f    7.955000      0.1489000       7.964000 0.2225000       7.946000      0.1979000      0.1820000E-01  0.2978000
  1 1 1      10   -4   21 o    1.916000      0.2891000       1.493000 0.4662000       2.340000      0.3422000     -0.8473000      0.5783000
  1 1 1      10   -4   22 o    4.752000      0.1464000       4.770000 0.2120000       4.733000      0.2019000      0.3633000E-01  0.2927000
  1 1 1      10   -4   23 o    5.197000      0.1443000       5.273000 0.2009000       5.121000      0.2071000      0.1528000      0.2885000
  1 1 1      10   -4   24 o    1.739000      0.3395000       1.574000 0.4707000       1.905000      0.4894000     -0.3306000      0.6790000
  1 1 1      10   -4   25 o    8.314000      0.1765000       8.177000 0.2718000       8.452000      0.2254000     -0.2745000      0.3531000
  1 1 1      10   -4   26 f    8.598000      0.1670000       8.702000 0.2395000       8.494000      0.2327000      0.2080000      0.3339000
  1 1 1      10   -4   27 o    6.894000      0.3119000       6.872000 0.4820000       6.916000      0.3960000     -0.4464000E-01  0.6238000
  1 1 1      10   -4   28 o    4.348000      0.4292000       4.186000 0.6964000       4.510000      0.5017000     -0.3243000      0.8583000
  1 1 1      10   -4   29 o    3.113000      0.3416000       3.090000 0.4673000       3.136000      0.4985000     -0.4636000E-01  0.6833000
  1 1 1      10   -4   30 o    4.856000      0.2406000       5.008000 0.3207000       4.704000      0.3588000      0.3047000      0.4812000
  1 1 1      10   -4   31 f    6.011000      0.2170000       5.643000 0.3025000       6.378000      0.3113000     -0.7359000      0.4340000
  1 1 1      10   -4   32 o    3.992000      0.3916000       3.602000 0.5190000       4.383000      0.5865000     -0.7808000      0.7832000
  1 1 1      10   -4   33 o    2.977000      0.7220000       2.977000 0.7220000                  ?              ?              ?              ?
  1 1 1      10   -4   34 o    2.678000      0.4467000       3.474000 0.5430000       1.883000      0.7094000       1.591000      0.8934000
  1 1 1      10   -4   35 o    1.302000      0.4213000       1.348000 0.6106000       1.257000      0.5806000      0.9137000E-01  0.8426000
  1 1 1      10   -3    0 o    18.31000      0.3736000       18.21000 0.5227000       18.41000      0.5339000     -0.1990000      0.7472000
  1 1 1      10   -3    1 o    23.73000      0.3293000       23.53000 0.4617000       23.92000      0.4697000     -0.3995000      0.6586000
  1 1 1      10   -3    2 o    12.70000      0.1964000       12.69000 0.2771000       12.72000      0.2784000     -0.3281000E-01  0.3928000
  1 1 1      10   -3    3 o    24.53000      0.4758000       24.11000 0.6631000       24.94000      0.6826000     -0.8231000      0.9516000
  1 1 1      10   -3    4 o    3.364000      0.2571000       3.777000 0.3508000       2.951000      0.3758000      0.8261000      0.5141000
  1 1 1      10   -3    5 f    20.09000      0.2794000       20.07000 0.3941000       20.10000      0.3961000     -0.2635000E-01  0.5588000
  1 1 1      10   -3    6 o    10.48000      0.1952000       10.83000 0.2364000       10.13000      0.3107000      0.6918000      0.3903000
  1 1 1      10   -3    7 o    19.29000      0.2665000       18.97000 0.3710000       19.61000      0.3828000     -0.6327000      0.5330000
  1 1 1      10   -3    8 o    11.13000      0.1660000       11.13000 0.2338000       11.13000      0.2357000     -0.2579000E-02  0.3320000
  1 1 1      10   -3    9 o    23.48000      0.3191000       23.45000 0.4500000       23.51000      0.4525000     -0.5495000E-01  0.6381000
  1 1 1      10   -3   10 o    4.273000      0.1583000       4.011000 0.2033000       4.536000      0.2428000     -0.5246000      0.3167000
  1 1 1      10   -3   11 o    5.717000      0.1609000       5.578000 0.2027000       5.856000      0.2500000     -0.2780000      0.3219000
  1 1 1      10   -3   12 o    12.61000      0.2297000       12.43000 0.2824000       12.79000      0.3623000     -0.3529000      0.4593000
  1 1 1      10   -3   13 o    2.217000      0.2334000       2.269000 0.2861000       2.164000      0.3689000      0.1040000      0.4668000
  1 1 1      10   -3   14 o    6.311000      0.1161000       6.256000 0.1647000       6.367000      0.1637000     -0.1111000      0.2322000
  1 1 1      10   -3   15 o    5.182000      0.1315000       5.093000 0.1961000       5.271000      0.1754000     -0.1779000      0.2631000
  1 1 1      10   -3   16 o    10.10000      0.1951000       10.23000 0.3051000       9.969000      0.2431000      0.2588000      0.3902000
  1 1 1      10   -3   17 o    9.587000      0.1972000       9.777000 0.3060000       9.398000      0.2489000      0.3793000      0.3945000
  1 1 1      10   -3   18 o    1.352000      0.3499000       1.819000 0.5717000      0.8850000      0.4036000      0.9344000      0.6998000
  1 1 1      10   -3   19 o    5.881000      0.1914000       5.521000 0.3337000       6.242000      0.1875000     -0.7209000      0.3827000
  1 1 1      10   -3   20 o    4.964000      0.1357000       4.959000 0.1972000       4.970000      0.1865000     -0.1094000E-01  0.2714000
  1 1 1      10   -3   21 o    7.392000      0.1369000       7.164000 0.1963000       7.620000      0.1908000     -0.4561000      0.2738000
  1 1 1      10   -3   22 o    4.090000      0.1431000       3.984000 0.2042000       4.197000      0.2005000     -0.2133000      0.2862000
  1 1 1      10   -3   23 o    11.32000      0.1745000       11.27000 0.2488000       11.38000      0.2447000     -0.1113000      0.3490000
  1 1 1      10   -3   24 o    4.699000      0.1639000       4.799000 0.2211000       4.598000      0.2420000      0.2007000      0.3278000
  1 1 1      10   -3   25 o    8.616000      0.1627000       8.450000 0.2283000       8.782000      0.2318000     -0.3321000      0.3254000
  1 1 1      10   -3   26 o    8.810000      0.1678000       8.668000 0.2349000       8.952000      0.2397000     -0.2849000      0.3357000
  1 1 1      10   -3   27 o    6.731000      0.1760000       6.653000 0.2394000       6.808000      0.2581000     -0.1558000      0.3520000
  1 1 1      10   -3   28 o    1.543000      0.3719000       1.889000 0.5215000       1.197000      0.5304000      0.6925000      0.7438000
  1 1 1      10   -3   29 o    2.819000      0.5134000       3.761000 0.7370000       1.877000      0.7150000       1.884000       1.027000
  1 1 1      10   -3   30 o    4.559000      0.2530000       4.312000 0.3675000       4.807000      0.3477000     -0.4946000      0.5059000
  1 1 1      10   -3   31 o    1.260000      0.4009000       1.341000 0.5823000       1.179000      0.5510000      0.1619000      0.8017000
  1 1 1      10   -3   32 o    3.481000      0.3594000       3.603000 0.5314000       3.359000      0.4841000      0.2436000      0.7188000
  1 1 1      10   -3   33 f    5.576000      0.4461000       5.576000 0.4461000                  ?              ?              ?              ?
  1 1 1      10   -3   34 o    3.321000      0.3973000       3.928000 0.4819000       2.713000      0.6317000       1.215000      0.7945000
  1 1 1      10   -3   35 o    1.462000      0.6225000                  ?       ?   1.462000      0.6225000                  ?              ?
  1 1 1      10   -2    0 o    15.60000      0.2291000       15.51000 0.3240000       15.69000      0.3239000     -0.1791000      0.4581000
  1 1 1      10   -2    1 o    11.20000      0.1829000       11.36000 0.2603000       11.04000      0.2570000      0.3207000      0.3658000
  1 1 1      10   -2    2 o    11.39000      0.2552000       11.28000 0.3627000       11.49000      0.3590000     -0.2109000      0.5103000
  1 1 1      10   -2    3 o    5.519000      0.1546000       5.522000 0.2143000       5.516000      0.2228000      0.5843000E-02  0.3091000
  1 1 1      10   -2    4 o    5.379000      0.1490000       5.546000 0.2090000       5.212000      0.2123000      0.3345000      0.2979000
  1 1 1      10   -2    5 f    16.67000      0.3340000       16.67000 0.3340000                  ?              ?              ?              ?
  1 1 1      10   -2    6 o    14.03000      0.2030000       13.96000 0.2852000       14.09000      0.2888000     -0.1250000      0.4059000
  1 1 1      10   -2    8 o    13.50000      0.1922000       13.48000 0.2710000       13.52000      0.2727000     -0.3261000E-01  0.3845000
  1 1 1      10   -2    9 o    4.286000      0.1235000       4.337000 0.1673000       4.235000      0.1818000      0.1027000      0.2470000
  1 1 1      10   -2   10 o    12.16000      0.1760000       12.21000 0.2459000       12.11000      0.2517000      0.1043000      0.3519000
  1 1 1      10   -2   11 o    5.251000      0.1491000       5.342000 0.1853000       5.159000      0.2335000      0.1828000      0.2981000
  1 1 1      10   -2   12 o    13.96000      0.2472000       13.53000 0.2900000       14.40000      0.4005000     -0.8667000      0.4944000
  1 1 1      10   -2   13 o    4.978000      0.1156000       5.036000 0.1525000       4.920000      0.1737000      0.1160000      0.2311000
  1 1 1      10   -2   14 o    4.188000      0.1164000       4.066000 0.1419000       4.309000      0.1847000     -0.2426000      0.2329000
  1 1 1      10   -2   15 o    11.39000      0.1673000       11.41000 0.2425000       11.37000      0.2306000      0.3828000E-01  0.3346000
  1 1 1      10   -2   16 o    10.08000      0.1835000       9.821000 0.2803000       10.34000      0.2369000     -0.5160000      0.3670000
  1 1 1      10   -2   17 o    4.863000      0.1734000       4.576000 0.2722000       5.151000      0.2150000     -0.5754000      0.3469000
  1 1 1      10   -2   18 o    3.452000      0.2209000       3.314000 0.3696000       3.590000      0.2420000     -0.2759000      0.4418000
  1 1 1      10   -2   19 o    9.624000      0.1794000       9.889000 0.2959000       9.360000      0.2027000      0.5280000      0.3587000
  1 1 1      10   -2   20 o    5.026000      0.1203000       5.031000 0.1714000       5.020000      0.1688000      0.1084000E-01  0.2406000
  1 1 1      10   -2   21 o    7.519000      0.1333000       7.518000 0.1916000       7.520000      0.1853000     -0.2139000E-02  0.2665000
  1 1 1      10   -2   22 o    3.298000      0.1752000       3.600000 0.2216000       2.997000      0.2713000      0.6033000      0.3503000
  1 1 1      10   -2   23 f    14.83000      0.2132000       14.99000 0.3044000       14.67000      0.2986000      0.3227000      0.4264000
  1 1 1      10   -2   24 o    8.834000      0.1564000       8.908000 0.2216000       8.760000      0.2208000      0.1488000      0.3128000
  1 1 1      10   -2   25 o    8.621000      0.1594000       8.351000 0.2220000       8.892000      0.2289000     -0.5412000      0.3189000
  1 1 1      10   -2   26 o    12.79000      0.1976000       12.90000 0.2819000       12.68000      0.2769000      0.2205000      0.3951000
  1 1 1      10   -2   27 o    4.462000      0.2114000       4.204000 0.2930000       4.719000      0.3049000     -0.5149000      0.4229000
  1 1 1      10   -2   28 o    2.984000      0.3205000       2.772000 0.4509000       3.197000      0.4555000     -0.4252000      0.6410000
  1 1 1      10   -2   29 o    2.654000      0.4753000       2.813000 0.7893000       2.495000      0.5296000      0.3181000      0.9505000
  1 1 1      10   -2   31 o    4.616000      0.2563000       4.689000 0.3420000       4.544000      0.3819000      0.1451000      0.5126000
  1 1 1      10   -2   32 o    5.225000      0.2503000       5.362000 0.3368000       5.089000      0.3705000      0.2723000      0.5007000
  1 1 1      10   -2   33 o    5.215000      0.3562000       5.336000 0.4487000       5.094000      0.5533000      0.2421000      0.7124000
  1 1 1      10   -2   34 o    6.209000      0.3318000       6.815000 0.4272000       5.604000      0.5079000       1.211000      0.6636000
  1 1 1      10   -2   35 o    2.435000      0.7027000                  ?       ?   2.435000      0.7027000                  ?              ?
  1 1 1      10   -2   36 o    3.072000      0.4131000       3.625000 0.5096000       2.519000      0.6503000       1.106000      0.8262000
  1 1 1      10   -1    0 o    25.80000      0.3545000       26.29000 0.5105000       25.32000      0.4920000      0.9749000      0.7090000
  1 1 1      10   -1    1 o    6.115000      0.2140000       6.221000 0.3118000       6.009000      0.2933000      0.2125000      0.4281000
  1 1 1      10   -1    2 o    19.78000      0.2766000       19.89000 0.3941000       19.67000      0.3883000      0.2215000      0.5532000
  1 1 1      10   -1    3 o    3.568000      0.2028000       3.621000 0.3318000       3.515000      0.2334000      0.1053000      0.4057000
  1 1 1      10   -1    4 o    2.791000      0.2065000       2.431000 0.3291000       3.151000      0.2496000     -0.7206000      0.4130000
  1 1 1      10   -1    5 o    17.87000      0.3538000       17.87000 0.3538000                  ?              ?              ?              ?
  1 1 1      10   -1    6 o    16.61000      0.2335000       16.66000 0.3310000       16.55000      0.3295000      0.1044000      0.4671000
  1 1 1      10   -1    7 o    10.87000      0.2348000                  ?       ?   10.87000      0.2348000                  ?              ?
  1 1 1      10   -1    8 o    18.47000      0.2542000       18.46000 0.3591000       18.49000      0.3599000     -0.3150000E-01  0.5084000
  1 1 1      10   -1    9 o    8.881000      0.1381000       9.035000 0.1961000       8.728000      0.1945000      0.3072000      0.2762000
  1 1 1      10   -1   10 f    14.21000      0.1976000       14.34000 0.2809000       14.08000      0.2779000      0.2584000      0.3951000
  1 1 1      10   -1   11 o    5.952000      0.2172000       5.598000 0.1668000       6.305000      0.4010000     -0.7073000      0.4343000
  1 1 1      10   -1   12 o    3.396000      0.1632000       3.185000 0.2140000       3.607000      0.2464000     -0.4220000      0.3264000
  1 1 1      10   -1   13 o    11.59000      0.1623000       11.65000 0.2293000       11.53000      0.2296000      0.1270000      0.3245000
  1 1 1      10   -1   14 o    5.363000      0.9293000E-01   5.248000 0.1293000       5.479000      0.1335000     -0.2317000      0.1859000
  1 1 1      10   -1   15 o    9.352000      0.1692000       9.649000 0.2817000       9.056000      0.1874000      0.5939000      0.3383000
  1 1 1      10   -1   16 o    4.318000      0.1586000       4.246000 0.2516000       4.390000      0.1934000     -0.1431000      0.3173000
  1 1 1      10   -1   17 o    10.52000      0.2007000       10.81000 0.3233000       10.23000      0.2381000      0.5831000      0.4015000
  1 1 1      10   -1   18 o    5.927000      0.1592000       6.107000 0.2731000       5.747000      0.1638000      0.3602000      0.3184000
  1 1 1      10   -1   19 o    8.039000      0.1476000       8.226000 0.2383000       7.851000      0.1742000      0.3749000      0.2951000
  1 1 1      10   -1   20 o    4.769000      0.1164000       4.696000 0.1644000       4.842000      0.1648000     -0.1462000      0.2328000
  1 1 1      10   -1   21 o    4.267000      0.1345000       4.223000 0.1831000       4.311000      0.1970000     -0.8877000E-01  0.2690000
  1 1 1      10   -1   22 o    6.308000      0.1355000       6.309000 0.1881000       6.307000      0.1950000      0.1814000E-02  0.2709000
  1 1 1      10   -1   23 o    5.166000      0.1863000       5.078000 0.2027000       5.254000      0.3126000     -0.1755000      0.3726000
  1 1 1      10   -1   24 f    14.88000      0.2142000       14.95000 0.3047000       14.80000      0.3012000      0.1519000      0.4284000
  1 1 1      10   -1   25 o    5.421000      0.1639000       5.336000 0.2229000       5.505000      0.2403000     -0.1682000      0.3278000
  1 1 1      10   -1   26 o    4.912000      0.1846000       5.169000 0.2480000       4.655000      0.2735000      0.5132000      0.3692000
  1 1 1      10   -1   27 o    7.803000      0.1691000       7.639000 0.2371000       7.966000      0.2412000     -0.3266000      0.3382000
  1 1 1      10   -1   28 o    2.626000      0.3512000       2.858000 0.4287000       2.394000      0.5563000      0.4648000      0.7023000
  1 1 1      10   -1   29 o    1.564000      0.4278000       1.488000 0.5923000       1.640000      0.6173000     -0.1527000      0.8555000
  1 1 1      10   -1   30 o    2.039000      0.5288000       2.449000 0.8067000       1.629000      0.6839000      0.8201000       1.058000
  1 1 1      10   -1   31 o    5.170000      0.2790000       5.411000 0.2919000       4.929000      0.4756000      0.4821000      0.5580000
  1 1 1      10   -1   32 o    7.164000      0.2097000       7.097000 0.2875000       7.231000      0.3053000     -0.1333000      0.4193000
  1 1 1      10   -1   33 o    8.375000      0.3008000       8.423000 0.3989000       8.327000      0.4505000      0.9575000E-01  0.6017000
  1 1 1      10   -1   34 o    5.834000      0.3691000       6.645000 0.4450000       5.022000      0.5891000       1.623000      0.7383000
  1 1 1      10   -1   35 o    3.452000      0.3756000       3.636000 0.5027000       3.267000      0.5583000      0.3696000      0.7513000
  1 1 1      10   -1   36 o    3.136000      0.4070000       3.431000 0.5429000       2.841000      0.6065000      0.5902000      0.8140000
  1 1 1      10    0    0 o    5.217000      0.2145000       5.212000 0.3005000       5.221000      0.3061000     -0.8299000E-02  0.4289000
  1 1 1      10    0    1 o    14.29000      0.2096000       14.08000 0.2928000       14.50000      0.3000000     -0.4264000      0.4192000
  1 1 1      10    0    2 o    15.38000      0.2213000       15.35000 0.3130000       15.40000      0.3129000     -0.4597000E-01  0.4426000
  1 1 1      10    0    3 o    11.67000      0.1772000       11.53000 0.2483000       11.81000      0.2528000     -0.2826000      0.3544000
  1 1 1      10    0    4 o    7.027000      0.1921000       7.064000 0.2723000       6.990000      0.2711000      0.7396000E-01  0.3843000
  1 1 1      10    0    5 o    18.18000      0.2537000       18.61000 0.3675000       17.74000      0.3497000      0.8763000      0.5073000
  1 1 1      10    0    6 o    9.856000      0.1872000       9.898000 0.2196000       9.814000      0.3031000      0.8394000E-01  0.3743000
  1 1 1      10    0    7 o    6.347000      0.1243000       6.543000 0.1794000       6.151000      0.1721000      0.3923000      0.2486000
  1 1 1      10    0    8 o    8.184000      0.1316000       8.255000 0.1892000       8.113000      0.1831000      0.1419000      0.2632000
  1 1 1      10    0    9 o    13.17000      0.1848000       12.89000 0.2572000       13.44000      0.2656000     -0.5492000      0.3697000
  1 1 1      10    0   10 o    11.33000      0.1611000       11.15000 0.2235000       11.50000      0.2321000     -0.3544000      0.3222000
  1 1 1      10    0   11 o    5.422000      0.1278000       5.524000 0.1982000       5.320000      0.1614000      0.2033000      0.2556000
  1 1 1      10    0   12 o    12.41000      0.3981000       12.71000 0.3937000       12.10000      0.6919000      0.6176000      0.7961000
  1 1 1      10    0   13 o    13.17000      0.2198000       13.27000 0.3591000       13.08000      0.2536000      0.1858000      0.4396000
  1 1 1      10    0   14 o    10.01000      0.1713000       10.03000 0.2796000       9.988000      0.1981000      0.3825000E-01  0.3427000
  1 1 1      10    0   17 o    10.91000      0.1943000       10.81000 0.3128000       11.01000      0.2305000     -0.1935000      0.3886000
  1 1 1      10    0   18 o    4.306000      0.1363000                  ?       ?   4.306000      0.1363000                  ?              ?
  1 1 1      10    0   19 o    3.222000      0.2148000       2.685000 0.4004000       3.759000      0.1557000      -1.074000      0.4296000
  1 1 1      10    0   20 o    3.612000      0.1304000       3.544000 0.1788000       3.680000      0.1897000     -0.1364000      0.2607000
  1 1 1      10    0   21 o    6.674000      0.1260000       6.755000 0.1797000       6.592000      0.1766000      0.1630000      0.2520000
  1 1 1      10    0   22 o    4.223000      0.1475000       4.298000 0.1984000       4.147000      0.2182000      0.1514000      0.2949000
  1 1 1      10    0   23 o    8.383000      0.1453000       8.553000 0.2067000       8.213000      0.2043000      0.3402000      0.2906000
  1 1 1      10    0   24 o    11.74000      0.1785000       11.74000 0.2510000       11.74000      0.2539000     -0.2286000E-02  0.3570000
  1 1 1      10    0   25 o    6.168000      0.1541000       6.271000 0.2128000       6.066000      0.2230000      0.2053000      0.3082000
  1 1 1      10    0   26 o    7.804000      0.1616000       7.797000 0.2236000       7.810000      0.2333000     -0.1307000E-01  0.3232000
  1 1 1      10    0   27 o    1.561000      0.3557000       2.040000 0.5197000       1.081000      0.4859000      0.9581000      0.7115000
  1 1 1      10    0   28 o    7.639000      0.1743000       7.569000 0.2402000       7.709000      0.2525000     -0.1410000      0.3485000
  1 1 1      10    0   29 o    1.468000      0.3940000       1.019000 0.4798000       1.917000      0.6251000     -0.8976000      0.7880000
  1 1 1      10    0   30 o    3.874000      0.3846000       3.842000 0.5848000       3.907000      0.4996000     -0.6434000E-01  0.7691000
  1 1 1      10    0   31 o    1.875000      0.5158000       1.756000 0.7384000       1.994000      0.7205000     -0.2386000       1.032000
  1 1 1      10    0   32 o    5.905000      0.2282000       5.808000 0.3187000       6.003000      0.3266000     -0.1951000      0.4563000
  1 1 1      10    0   33 o    7.652000      0.2495000       7.939000 0.4017000       7.366000      0.2960000      0.5733000      0.4990000
  1 1 1      10    0   34 o    2.431000      0.5922000       2.174000 0.8344000       2.688000      0.8404000     -0.5137000       1.184000
  1 1 1      10    0   35 f    6.448000      0.2303000       6.580000 0.3233000       6.317000      0.3280000      0.2623000      0.4606000
  1 1 1      10    0   36 o    4.313000      0.3035000       4.009000 0.4734000       4.616000      0.3799000     -0.6066000      0.6070000
  1 1 1      10    1    0 o    8.188000      0.1545000       8.189000 0.2183000       8.188000      0.2187000      0.9823000E-03  0.3090000
  1 1 1      10    1    1 o    9.444000      0.1586000       9.444000 0.2231000       9.444000      0.2254000      0.4549000E-03  0.3171000
  1 1 1      10    1    2 o    20.32000      0.2821000       20.24000 0.3975000       20.40000      0.4005000     -0.1627000      0.5642000
  1 1 1      10    1    3 o    10.29000      0.1617000       10.07000 0.2246000       10.52000      0.2327000     -0.4534000      0.3234000
  1 1 1      10    1    4 o    20.61000      0.2838000       20.65000 0.4018000       20.58000      0.4010000      0.6797000E-01  0.5677000
  1 1 1      10    1    5 f    5.582000      0.1254000       5.416000 0.1755000       5.747000      0.1792000     -0.3314000      0.2508000
  1 1 1      10    1    6 o    19.78000      0.2715000       19.83000 0.3848000       19.73000      0.3833000      0.1032000      0.5431000
  1 1 1      10    1    7 o    9.952000      0.1846000       9.798000 0.2996000       10.11000      0.2157000     -0.3073000      0.3692000
  1 1 1      10    1    8 o    11.76000      0.1702000       11.46000 0.2359000       12.06000      0.2453000     -0.6073000      0.3403000
  1 1 1      10    1    9 o    38.99000      0.5225000       38.44000 0.7284000       39.54000      0.7494000      -1.092000       1.045000
  1 1 1      10    1   10 o    3.550000      0.1291000       3.291000 0.2154000       3.808000      0.1424000     -0.5164000      0.2582000
  1 1 1      10    1   11 o    4.617000      0.1032000       4.852000 0.1656000       4.381000      0.1233000      0.4707000      0.2065000
  1 1 1      10    1   19 o    1.958000      0.2494000       1.588000 0.4426000       2.329000      0.2299000     -0.7412000      0.4987000
  1 1 1      10    1   20 o    5.473000      0.1448000       5.428000 0.2403000       5.517000      0.1617000     -0.8930000E-01  0.2896000
  1 1 1      10    1   21 o    5.372000      0.1246000       5.412000 0.1763000       5.333000      0.1762000      0.7900000E-01  0.2493000
  1 1 1      10    1   22 o    2.345000      0.2309000       2.288000 0.3237000       2.402000      0.3292000     -0.1133000      0.4617000
  1 1 1      10    1   23 o    8.228000      0.1450000       8.412000 0.2038000       8.044000      0.2064000      0.3680000      0.2901000
  1 1 1      10    1   24 o    4.289000      0.1679000       4.401000 0.2307000       4.178000      0.2440000      0.2233000      0.3358000
  1 1 1      10    1   25 o    8.094000      0.1543000       8.116000 0.2147000       8.071000      0.2217000      0.4499000E-01  0.3086000
  1 1 1      10    1   26 o    10.74000      0.1767000       10.84000 0.2480000       10.63000      0.2517000      0.2113000      0.3534000
  1 1 1      10    1   27 f    3.518000      0.2431000       3.827000 0.3204000       3.209000      0.3656000      0.6187000      0.4861000
  1 1 1      10    1   28 o    8.807000      0.1758000       8.705000 0.2438000       8.909000      0.2532000     -0.2039000      0.3516000
  1 1 1      10    1   29 o    1.347000      0.3980000       1.343000 0.5612000       1.351000      0.5645000     -0.7599000E-02  0.7960000
  1 1 1      10    1   30 o    3.282000      0.4166000       3.178000 0.6486000       3.387000      0.5229000     -0.2088000      0.8332000
  1 1 1      10    1   31 o    1.589000      0.4752000       1.521000 0.6775000       1.656000      0.6665000     -0.1352000      0.9504000
  1 1 1      10    1   32 o    7.293000      0.2089000       7.504000 0.2863000       7.081000      0.3042000      0.4227000      0.4178000
  1 1 1      10    1   33 o    7.082000      0.3273000       7.244000 0.4105000       6.919000      0.5100000      0.3256000      0.6547000
  1 1 1      10    1   34 o    3.542000      0.7472000       3.542000 0.7472000                  ?              ?              ?              ?
  1 1 1      10    1   35 o    5.675000      0.2380000       5.473000 0.3427000       5.876000      0.3304000     -0.4035000      0.4760000
  1 1 1      10    1   36 o    4.072000      0.3137000       4.090000 0.4386000       4.053000      0.4486000      0.3742000E-01  0.6274000
  1 1 1      10    2    0 o    10.01000      0.1663000       9.912000 0.2331000       10.10000      0.2373000     -0.1917000      0.3326000
  1 1 1      10    2    1 o    10.12000      0.1642000       10.19000 0.2323000       10.04000      0.2322000      0.1459000      0.3284000
  1 1 1      10    2    2 o    14.46000      0.2094000       14.47000 0.2965000       14.45000      0.2957000      0.2095000E-01  0.4188000
  1 1 1      10    2    3 o    8.939000      0.1488000       8.897000 0.2093000       8.981000      0.2117000     -0.8311000E-01  0.2977000
  1 1 1      10    2    4 f    1.938000      0.2482000       1.778000 0.3628000       2.099000      0.3389000     -0.3214000      0.4965000
  1 1 1      10    2    5 o    11.45000      0.1702000       11.35000 0.2391000       11.55000      0.2423000     -0.2069000      0.3404000
  1 1 1      10    2    6 o    26.34000      0.5040000       26.34000 0.5040000                  ?              ?              ?              ?
  1 1 1      10    2    7 o    24.40000      0.3304000       24.35000 0.4664000       24.45000      0.4682000     -0.9681000E-01  0.6609000
  1 1 1      10    2    8 o    8.002000      0.1822000                  ?       ?   8.002000      0.1822000                  ?              ?
  1 1 1      10    2    9 o    33.90000      0.5589000       34.27000 0.9192000       33.54000      0.6360000      0.7247000       1.118000
  1 1 1      10    2   10 o    10.15000      0.1789000       10.40000 0.2968000       9.888000      0.2000000      0.5140000      0.3579000
  1 1 1      10    2   11 o    3.534000      0.1731000       3.534000 0.1731000                  ?              ?              ?              ?
  1 1 1      10    2   19 o    1.445000      0.2687000       1.708000 0.3499000       1.182000      0.4080000      0.5257000      0.5375000
  1 1 1      10    2   20 o    7.739000      0.1568000       8.106000 0.2538000       7.372000      0.1841000      0.7343000      0.3136000
  1 1 1      10    2   21 o    5.721000      0.1315000       5.727000 0.1741000       5.715000      0.1970000      0.1204000E-01  0.2629000
  1 1 1      10    2   22 o    7.052000      0.1393000       7.081000 0.1886000       7.024000      0.2050000      0.5675000E-01  0.2786000
  1 1 1      10    2   23 o    9.083000      0.1561000       9.183000 0.2142000       8.983000      0.2271000      0.1999000      0.3122000
  1 1 1      10    2   24 o    3.428000      0.2811000       4.113000 0.3606000       2.743000      0.4313000       1.370000      0.5622000
  1 1 1      10    2   25 o    1.612000      0.3861000       1.432000 0.5060000       1.791000      0.5834000     -0.3591000      0.7722000
  1 1 1      10    2   26 o    13.63000      0.2097000       13.87000 0.2912000       13.39000      0.3018000      0.4807000      0.4194000
  1 1 1      10    2   27 o    2.094000      0.3922000       1.413000 0.5464000       2.775000      0.5628000      -1.362000      0.7844000
  1 1 1      10    2   28 o    5.915000      0.2070000       5.991000 0.2557000       5.839000      0.3257000      0.1517000      0.4141000
  1 1 1      10    2   29 o    1.516000      0.4436000       1.297000 0.5599000       1.736000      0.6882000     -0.4381000      0.8872000
  1 1 1      10    2   30 o    2.906000      0.5317000       2.701000 0.6660000       3.110000      0.8290000     -0.4087000       1.063000
  1 1 1      10    2   31 o    1.181000      0.3942000       1.164000 0.5391000       1.198000      0.5752000     -0.3376000E-01  0.7883000
  1 1 1      10    2   32 o    8.844000      0.2742000       9.091000 0.2836000       8.596000      0.4694000      0.4954000      0.5485000
  1 1 1      10    2   33 o    4.888000      0.4825000       5.447000 0.5389000       4.329000      0.8005000       1.118000      0.9650000
  1 1 1      10    2   34 o    1.738000      0.5288000       2.090000 0.8335000       1.386000      0.6510000      0.7043000       1.058000
  1 1 1      10    2   35 o    1.456000      0.4511000       1.422000 0.6175000       1.489000      0.6577000     -0.6644000E-01  0.9022000
  1 1 1      10    2   36 o    3.751000      0.5175000                  ?       ?   3.751000      0.5175000                  ?              ?
  1 1 1      10    3    0 o    4.633000      0.1568000       4.259000 0.2254000       5.006000      0.2180000     -0.7465000      0.3135000
  1 1 1      10    3    1 o    8.054000      0.1485000       7.957000 0.2074000       8.152000      0.2124000     -0.1946000      0.2969000
  1 1 1      10    3    2 o    16.05000      0.2283000       15.98000 0.3216000       16.12000      0.3240000     -0.1479000      0.4565000
  1 1 1      10    3    3 o    18.21000      0.2536000       18.09000 0.3563000       18.33000      0.3610000     -0.2435000      0.5072000
  1 1 1      10    3    4 f    1.682000      0.2751000       1.958000 0.3410000       1.407000      0.4318000      0.5504000      0.5502000
  1 1 1      10    3    5 o    10.68000      0.1613000       10.67000 0.2275000       10.69000      0.2288000     -0.2128000E-01  0.3227000
  1 1 1      10    3    6 o    25.76000      0.4931000       25.76000 0.4931000                  ?              ?              ?              ?
  1 1 1      10    3    7 o    20.60000      0.2810000       20.74000 0.3998000       20.47000      0.3949000      0.2701000      0.5619000
  1 1 1      10    3    8 o    4.709000      0.1631000                  ?       ?   4.709000      0.1631000                  ?              ?
  1 1 1      10    3    9 o    23.84000      0.3950000       24.02000 0.6482000       23.66000      0.4514000      0.3541000      0.7899000
  1 1 1      10    3   10 o    17.04000      0.2860000       17.32000 0.4717000       16.77000      0.3234000      0.5463000      0.5719000
  1 1 1      10    3   11 o    6.741000      0.1269000       6.657000 0.2065000       6.825000      0.1476000     -0.1682000      0.2538000
  1 1 1      10    3   18 o    5.426000      0.1477000                  ?       ?   5.426000      0.1477000                  ?              ?
  1 1 1      10    3   19 o    1.960000      0.2164000       2.169000 0.2599000       1.750000      0.3461000      0.4189000      0.4328000
  1 1 1      10    3   20 o    2.796000      0.1613000       2.694000 0.2114000       2.898000      0.2436000     -0.2036000      0.3226000
  1 1 1      10    3   21 o    1.166000      0.3033000      0.9031000 0.3926000       1.429000      0.4625000     -0.5256000      0.6066000
  1 1 1      10    3   22 o    13.97000      0.2010000       14.15000 0.2854000       13.80000      0.2832000      0.3552000      0.4020000
  1 1 1      10    3   23 o    8.752000      0.1546000       8.702000 0.2107000       8.802000      0.2262000     -0.9991000E-01  0.3091000
  1 1 1      10    3   24 o    7.081000      0.2019000       7.374000 0.2087000       6.788000      0.3457000      0.5868000      0.4038000
  1 1 1      10    3   25 o    3.105000      0.2632000       3.228000 0.3173000       2.981000      0.4200000      0.2467000      0.5264000
  1 1 1      10    3   26 o    14.21000      0.2150000       14.04000 0.2957000       14.39000      0.3123000     -0.3509000      0.4301000
  1 1 1      10    3   27 o    5.485000      0.2074000       6.052000 0.2459000       4.918000      0.3341000       1.134000      0.4148000
  1 1 1      10    3   28 o    1.333000      0.4048000       1.244000 0.5327000       1.421000      0.6096000     -0.1778000      0.8096000
  1 1 1      10    3   29 o    6.570000      0.2785000       6.653000 0.3475000       6.488000      0.4353000      0.1650000      0.5569000
  1 1 1      10    3   30 o    5.502000      0.3300000       6.218000 0.3590000       4.787000      0.5538000       1.431000      0.6600000
  1 1 1      10    3   31 o    2.827000      0.4537000       2.691000 0.5959000       2.962000      0.6844000     -0.2710000      0.9075000
  1 1 1      10    3   32 o    4.596000      0.2827000       3.839000 0.3765000       5.352000      0.4218000      -1.513000      0.5654000
  1 1 1      10    3   33 o    5.094000      0.4170000       4.896000 0.5674000       5.292000      0.6113000     -0.3964000      0.8340000
  1 1 1      10    3   34 o    3.529000      0.4068000       3.360000 0.5430000       3.697000      0.6060000     -0.3373000      0.8137000
  1 1 1      10    3   35 o    1.866000      0.4974000       2.039000 0.7002000       1.693000      0.7066000      0.3456000      0.9948000
  1 1 1      10    3   36 o    3.037000      0.4072000       2.268000 0.6208000       3.807000      0.5272000      -1.539000      0.8144000
  1 1 1      10    4    0 o    14.20000      0.2093000       14.13000 0.2945000       14.28000      0.2974000     -0.1448000      0.4185000
  1 1 1      10    4    1 o    5.773000      0.1461000       5.848000 0.2008000       5.697000      0.2121000      0.1511000      0.2921000
  1 1 1      10    4    2 o    14.63000      0.2117000       14.61000 0.2988000       14.64000      0.2998000     -0.3499000E-01  0.4233000
  1 1 1      10    4    3 o    8.289000      0.1445000       8.213000 0.2032000       8.366000      0.2055000     -0.1536000      0.2890000
  1 1 1      10    4    4 o    15.00000      0.2133000       15.04000 0.3022000       14.95000      0.3010000      0.8869000E-01  0.4265000
  1 1 1      10    4    5 o    11.24000      0.1684000       11.32000 0.2392000       11.15000      0.2371000      0.1734000      0.3368000
  1 1 1      10    4    6 o    11.41000      0.1681000       11.16000 0.2343000       11.67000      0.2412000     -0.5107000      0.3363000
  1 1 1      10    4    7 o    23.51000      0.3192000       23.47000 0.4503000       23.56000      0.4524000     -0.8953000E-01  0.6383000
  1 1 1      10    4    8 o    13.75000      0.1935000       13.65000 0.2709000       13.85000      0.2765000     -0.2053000      0.3871000
  1 1 1      10    4    9 o    14.21000      0.1977000       14.47000 0.2846000       13.96000      0.2745000      0.5168000      0.3954000
  1 1 1      10    4   10 o    5.820000      0.1306000       6.011000 0.2165000       5.630000      0.1463000      0.3812000      0.2613000
  1 1 1      10    4   11 o    9.601000      0.1704000       9.807000 0.2829000       9.395000      0.1898000      0.4120000      0.3407000
  1 1 1      10    4   12 o    17.75000      0.3007000       17.78000 0.4819000       17.72000      0.3599000      0.6172000E-01  0.6015000
  1 1 1      10    4   13 o    10.90000      0.1849000       10.85000 0.3004000       10.94000      0.2156000     -0.9284000E-01  0.3698000
  1 1 1      10    4   14 o    11.21000      0.1899000       11.46000 0.3136000       10.95000      0.2144000      0.5050000      0.3798000
  1 1 1      10    4   15 o    12.60000      0.2086000       12.34000 0.3347000       12.86000      0.2491000     -0.5145000      0.4172000
  1 1 1      10    4   16 o    2.108000      0.5316000       2.721000 0.9973000       1.495000      0.3685000       1.226000       1.063000
  1 1 1      10    4   17 o    12.53000      0.2602000                  ?       ?   12.53000      0.2602000                  ?              ?
  1 1 1      10    4   18 f    3.508000      0.1522000       3.506000 0.2395000       3.509000      0.1879000     -0.3232000E-02  0.3044000
  1 1 1      10    4   19 o    4.525000      0.1180000       4.573000 0.1560000       4.477000      0.1770000      0.9559000E-01  0.2360000
  1 1 1      10    4   20 o    1.710000      0.2511000       1.810000 0.3049000       1.610000      0.3990000      0.2000000      0.5021000
  1 1 1      10    4   21 o    10.97000      0.1651000       11.20000 0.2356000       10.73000      0.2313000      0.4617000      0.3302000
  1 1 1      10    4   22 o    13.97000      0.2026000       13.62000 0.2789000       14.33000      0.2939000     -0.7066000      0.4051000
  1 1 1      10    4   23 o    7.651000      0.1496000       7.708000 0.2080000       7.594000      0.2151000      0.1141000      0.2993000
  1 1 1      10    4   24 o    6.251000      0.1582000       6.381000 0.2133000       6.121000      0.2337000      0.2600000      0.3164000
  1 1 1      10    4   25 o    10.95000      0.1792000       10.53000 0.2424000       11.37000      0.2640000     -0.8404000      0.3584000
  1 1 1      10    4   26 o    3.440000      0.2546000       3.206000 0.3466000       3.674000      0.3729000     -0.4676000      0.5091000
  1 1 1      10    4   27 o    16.87000      0.2472000       17.41000 0.3537000       16.34000      0.3453000       1.065000      0.4943000
  1 1 1      10    4   28 o    1.358000      0.4071000       1.162000 0.5147000       1.553000      0.6309000     -0.3910000      0.8142000
  1 1 1      10    4   29 o    5.849000      0.2803000       5.752000 0.3540000       5.947000      0.4348000     -0.1946000      0.5607000
  1 1 1      10    4   30 o    2.561000      0.4478000       2.384000 0.6135000       2.737000      0.6525000     -0.3527000      0.8956000
  1 1 1      10    4   31 o    2.980000      0.4296000       3.025000 0.5509000       2.936000      0.6594000      0.8827000E-01  0.8593000
  1 1 1      10    4   32 o    2.460000      0.5614000       3.110000 0.7967000       1.811000      0.7911000       1.299000       1.123000
  1 1 1      10    4   33 o    7.029000      0.2946000       6.817000 0.3123000       7.241000      0.4995000     -0.4240000      0.5891000
  1 1 1      10    4   34 o    3.303000      0.4438000       4.381000 0.4379000       2.224000      0.7722000       2.157000      0.8877000
  1 1 1      10    4   35 o    1.984000      0.5048000       2.167000 0.6972000       1.800000      0.7303000      0.3670000       1.010000
  1 1 1      10    4   36 o    2.195000      0.4992000       2.630000 0.7091000       1.759000      0.7028000      0.8709000      0.9984000
  1 1 1      10    5    0 o    10.17000      0.1687000       10.23000 0.2392000       10.10000      0.2379000      0.1323000      0.3374000
  1 1 1      10    5    1 o    23.81000      0.3272000       23.81000 0.4627000       23.80000      0.4628000      0.9306000E-02  0.6545000
  1 1 1      10    5    2 o    10.04000      0.1628000       10.14000 0.2314000       9.940000      0.2290000      0.2013000      0.3256000
  1 1 1      10    5    3 o    11.00000      0.1704000       11.13000 0.2428000       10.87000      0.2393000      0.2564000      0.3409000
  1 1 1      10    5    4 f    19.88000      0.2744000       19.93000 0.3890000       19.82000      0.3872000      0.1122000      0.5488000
  1 1 1      10    5    5 o    17.97000      0.2495000       18.03000 0.3535000       17.91000      0.3522000      0.1194000      0.4990000
  1 1 1      10    5    6 o    21.04000      0.2880000       21.04000 0.4068000       21.04000      0.4076000     -0.3061000E-02  0.5759000
  1 1 1      10    5    7 o    41.93000      0.5617000       41.92000 0.7940000       41.93000      0.7947000     -0.9651000E-02   1.123000
  1 1 1      10    5    8 o    17.70000      0.2437000       17.74000 0.3448000       17.66000      0.3444000      0.7891000E-01  0.4874000
  1 1 1      10    5    9 o    7.340000      0.1460000       7.058000 0.1692000       7.622000      0.2378000     -0.5642000      0.2919000
  1 1 1      10    5   10 o    5.719000      0.1040000       5.696000 0.1477000       5.742000      0.1464000     -0.4538000E-01  0.2079000
  1 1 1      10    5   11 o    8.019000      0.1193000       8.046000 0.1670000       7.991000      0.1705000      0.5511000E-01  0.2387000
  1 1 1      10    5   12 o    11.96000      0.1924000       12.15000 0.2471000       11.76000      0.2951000      0.3896000      0.3849000
  1 1 1      10    5   13 o    8.063000      0.1924000       7.845000 0.2441000       8.281000      0.2976000     -0.4354000      0.3849000
  1 1 1      10    5   14 o    7.243000      0.1327000       7.018000 0.2143000       7.467000      0.1564000     -0.4489000      0.2653000
  1 1 1      10    5   15 o    3.260000      0.1104000       3.313000 0.1644000       3.207000      0.1475000      0.1058000      0.2209000
  1 1 1      10    5   16 o    3.730000      0.1599000       3.821000 0.2383000       3.638000      0.2133000      0.1825000      0.3198000
  1 1 1      10    5   17 o    10.36000      0.3327000       9.955000 0.6183000       10.76000      0.2461000     -0.8014000      0.6655000
  1 1 1      10    5   18 o    5.448000      0.2006000       5.195000 0.3545000       5.701000      0.1881000     -0.5065000      0.4013000
  1 1 1      10    5   19 o    5.989000      0.1261000       5.870000 0.1766000       6.108000      0.1800000     -0.2382000      0.2522000
  1 1 1      10    5   20 o    11.20000      0.1662000       11.19000 0.2333000       11.21000      0.2368000     -0.2443000E-01  0.3324000
  1 1 1      10    5   21 o    10.12000      0.1564000       10.29000 0.2206000       9.948000      0.2217000      0.3389000      0.3128000
  1 1 1      10    5   22 o    15.44000      0.2196000       15.42000 0.3091000       15.45000      0.3121000     -0.3013000E-01  0.4393000
  1 1 1      10    5   23 o    5.964000      0.1462000       6.099000 0.1973000       5.828000      0.2159000      0.2714000      0.2924000
  1 1 1      10    5   24 o    2.779000      0.2510000       2.595000 0.3540000       2.964000      0.3560000     -0.3691000      0.5020000
  1 1 1      10    5   25 o    9.296000      0.1966000       9.224000 0.3069000       9.369000      0.2459000     -0.1454000      0.3932000
  1 1 1      10    5   26 o    5.162000      0.1867000       4.841000 0.2600000       5.483000      0.2681000     -0.6419000      0.3734000
  1 1 1      10    5   27 o    11.77000      0.1967000       12.06000 0.2764000       11.48000      0.2800000      0.5856000      0.3934000
  1 1 1      10    5   29 o    3.964000      0.2879000       4.208000 0.3513000       3.719000      0.4561000      0.4889000      0.5757000
  1 1 1      10    5   30 o    7.814000      0.2044000       8.301000 0.2712000       7.327000      0.3059000      0.9734000      0.4088000
  1 1 1      10    5   31 o    8.701000      0.3121000       8.484000 0.4233000       8.918000      0.4588000     -0.4349000      0.6242000
  1 1 1      10    5   32 o    4.707000      0.4680000       4.740000 0.6152000       4.673000      0.7054000      0.6738000E-01  0.9360000
  1 1 1      10    5   33 o    7.898000      0.2304000       8.070000 0.2998000       7.725000      0.3499000      0.3449000      0.4608000
  1 1 1      10    5   34 o    6.463000      0.2547000       6.415000 0.3303000       6.512000      0.3877000     -0.9703000E-01  0.5093000
  1 1 1      10    5   35 o    1.810000      0.5235000       1.525000 0.6428000       2.094000      0.8263000     -0.5685000       1.047000
  1 1 1      10    5   36 o    1.868000      0.5025000       2.129000 0.7302000       1.607000      0.6905000      0.5219000       1.005000
  1 1 1      10    6    0 o    6.971000      0.1538000       7.093000 0.2173000       6.850000      0.2176000      0.2421000      0.3075000
  1 1 1      10    6    1 o    8.016000      0.1518000       7.815000 0.2120000       8.216000      0.2172000     -0.4010000      0.3035000
  1 1 1      10    6    2 o    8.407000      0.1520000       8.393000 0.2132000       8.421000      0.2166000     -0.2830000E-01  0.3039000
  1 1 1      10    6    3 o    5.996000      0.1412000       6.162000 0.1992000       5.830000      0.2003000      0.3328000      0.2825000
  1 1 1      10    6    4 o    18.08000      0.2524000       18.10000 0.3572000       18.06000      0.3566000      0.3424000E-01  0.5048000
  1 1 1      10    6    5 o    20.59000      0.2833000       20.56000 0.4000000       20.62000      0.4012000     -0.6607000E-01  0.5665000
  1 1 1      10    6    6 o    13.83000      0.1980000       13.83000 0.2799000       13.83000      0.2803000     -0.6702000E-02  0.3961000
  1 1 1      10    6    7 o    12.94000      0.1861000       12.89000 0.2623000       12.98000      0.2642000     -0.8924000E-01  0.3723000
  1 1 1      10    6    8 o    15.07000      0.2107000       15.10000 0.2977000       15.04000      0.2984000      0.5823000E-01  0.4215000
  1 1 1      10    6    9 o    6.280000      0.1158000       6.234000 0.1605000       6.325000      0.1669000     -0.9085000E-01  0.2315000
  1 1 1      10    6   10 o    7.253000      0.1165000       7.312000 0.1644000       7.194000      0.1652000      0.1179000      0.2330000
  1 1 1      10    6   11 f    2.035000      0.1948000       2.181000 0.2099000       1.889000      0.3283000      0.2921000      0.3897000
  1 1 1      10    6   12 o    11.56000      0.1968000       11.59000 0.2457000       11.52000      0.3076000      0.7550000E-01  0.3936000
  1 1 1      10    6   13 o    7.770000      0.1346000       7.650000 0.1763000       7.889000      0.2035000     -0.2390000      0.2693000
  1 1 1      10    6   14 o    3.955000      0.1042000       4.070000 0.1469000       3.840000      0.1479000      0.2299000      0.2085000
  1 1 1      10    6   15 o    1.166000      0.2756000       1.135000 0.4043000       1.196000      0.3746000     -0.6034000E-01  0.5511000
  1 1 1      10    6   16 o    7.360000      0.1593000       7.252000 0.2405000       7.467000      0.2088000     -0.2147000      0.3185000
  1 1 1      10    6   17 o    13.44000      0.2437000       13.76000 0.3908000       13.12000      0.2912000      0.6359000      0.4873000
  1 1 1      10    6   18 o    3.467000      0.2171000       3.210000 0.3540000       3.724000      0.2514000     -0.5138000      0.4342000
  1 1 1      10    6   19 o    1.276000      0.3313000       1.196000 0.4804000       1.356000      0.4564000     -0.1604000      0.6626000
  1 1 1      10    6   20 o    11.86000      0.1797000       11.55000 0.2522000       12.16000      0.2561000     -0.6096000      0.3594000
  1 1 1      10    6   21 o    4.193000      0.1504000       4.436000 0.1933000       3.950000      0.2306000      0.4866000      0.3009000
  1 1 1      10    6   22 o    5.456000      0.1427000       5.400000 0.1944000       5.512000      0.2091000     -0.1124000      0.2854000
  1 1 1      10    6   23 o    1.211000      0.3269000      0.9174000 0.4104000       1.506000      0.5090000     -0.5881000      0.6538000
  1 1 1      10    6   24 o    7.720000      0.1563000       8.140000 0.2166000       7.300000      0.2254000      0.8401000      0.3126000
  1 1 1      10    6   25 o    8.332000      0.1627000       8.553000 0.2262000       8.111000      0.2339000      0.4424000      0.3254000
  1 1 1      10    6   26 o    10.24000      0.2371000       10.42000 0.3323000       10.05000      0.3382000      0.3665000      0.4741000
  1 1 1      10    6   27 o    6.899000      0.2286000       6.689000 0.3081000       7.109000      0.3377000     -0.4197000      0.4572000
  1 1 1      10    6   28 f    8.802000      0.1834000       8.691000 0.2503000       8.912000      0.2682000     -0.2210000      0.3669000
  1 1 1      10    6   29 o    4.384000      0.2553000       4.225000 0.3542000       4.543000      0.3677000     -0.3184000      0.5105000
  1 1 1      10    6   30 o    4.288000      0.4653000       4.541000 0.5731000       4.035000      0.7333000      0.5061000      0.9307000
  1 1 1      10    6   31 o    8.826000      0.3218000       9.115000 0.4250000       8.537000      0.4832000      0.5780000      0.6435000
  1 1 1      10    6   32 o    6.958000      0.2301000       7.001000 0.3018000       6.915000      0.3473000      0.8609000E-01  0.4601000
  1 1 1      10    6   33 o    6.049000      0.2589000       5.720000 0.3500000       6.377000      0.3815000     -0.6563000      0.5177000
  1 1 1      10    6   34 o    4.594000      0.3181000       4.637000 0.4079000       4.550000      0.4882000      0.8623000E-01  0.6361000
  1 1 1      10    6   35 o    3.893000      0.4928000       3.893000 0.4928000                  ?              ?              ?              ?
  1 1 1      10    6   36 o    1.846000      0.5144000       1.746000 0.7009000       1.946000      0.7531000     -0.2003000       1.029000
  1 1 1      10    7    0 o    12.90000      0.2814000       12.63000 0.3917000       13.18000      0.4041000     -0.5537000      0.5628000
  1 1 1      10    7    1 o    22.83000      0.3155000       23.12000 0.4513000       22.54000      0.4411000      0.5861000      0.6311000
  1 1 1      10    7    2 o    17.99000      0.2539000       18.12000 0.3615000       17.86000      0.3567000      0.2631000      0.5079000
  1 1 1      10    7    3 o    16.66000      0.2367000       16.85000 0.3383000       16.47000      0.3311000      0.3801000      0.4734000
  1 1 1      10    7    4 o    23.22000      0.3180000       23.46000 0.4540000       22.97000      0.4455000      0.4919000      0.6360000
  1 1 1      10    7    5 o    4.172000      0.1524000       3.964000 0.2189000       4.380000      0.2120000     -0.4160000      0.3047000
  1 1 1      10    7    6 o    5.744000      0.1321000       5.633000 0.1868000       5.855000      0.1868000     -0.2220000      0.2642000
  1 1 1      10    7    7 f    15.06000      0.3000000       15.06000 0.3000000                  ?              ?              ?              ?
  1 1 1      10    7    8 o    33.82000      0.4545000       33.85000 0.6425000       33.79000      0.6430000      0.5944000E-01  0.9090000
  1 1 1      10    7    9 o    14.11000      0.2799000                  ?       ?   14.11000      0.2799000                  ?              ?
  1 1 1      10    7   10 o    10.67000      0.1533000       10.74000 0.2165000       10.60000      0.2171000      0.1406000      0.3066000
  1 1 1      10    7   11 o    8.571000      0.1429000       8.343000 0.1842000       8.798000      0.2186000     -0.4549000      0.2859000
  1 1 1      10    7   12 o    14.38000      0.2353000       14.48000 0.2977000       14.28000      0.3644000      0.1994000      0.4705000
  1 1 1      10    7   13 o    13.94000      0.2387000       13.94000 0.2859000       13.94000      0.3822000     -0.9011000E-02  0.4773000
  1 1 1      10    7   14 o    1.494000      0.2787000       1.229000 0.4235000       1.759000      0.3624000     -0.5296000      0.5573000
  1 1 1      10    7   15 o    2.798000      0.1820000       2.954000 0.2571000       2.641000      0.2577000      0.3131000      0.3640000
  1 1 1      10    7   16 o    3.036000      0.2001000       2.928000 0.2967000       3.145000      0.2685000     -0.2161000      0.4001000
  1 1 1      10    7   17 f    10.92000      0.2298000       10.94000 0.3276000       10.90000      0.3223000      0.4103000E-01  0.4596000
  1 1 1      10    7   18 o    2.504000      0.5061000       2.221000 0.9469000       2.787000      0.3578000     -0.5661000       1.012000
  1 1 1      10    7   19 o    3.746000      0.2232000       3.291000 0.3693000       4.202000      0.2507000     -0.9116000      0.4464000
  1 1 1      10    7   20 o    7.561000      0.1534000       7.196000 0.2217000       7.925000      0.2121000     -0.7289000      0.3068000
  1 1 1      10    7   21 o    4.474000      0.1713000       4.378000 0.2411000       4.571000      0.2435000     -0.1929000      0.3427000
  1 1 1      10    7   22 o    6.926000      0.1515000       7.011000 0.2186000       6.841000      0.2099000      0.1695000      0.3030000
  1 1 1      10    7   23 o    5.567000      0.1783000       5.467000 0.2752000       5.666000      0.2268000     -0.1998000      0.3566000
  1 1 1      10    7   24 o    2.678000      0.2813000       3.147000 0.3094000       2.209000      0.4700000      0.9374000      0.5627000
  1 1 1      10    7   25 o    6.072000      0.2105000       6.349000 0.2863000       5.794000      0.3087000      0.5545000      0.4211000
  1 1 1      10    7   26 o    5.494000      0.1839000       5.372000 0.2482000       5.616000      0.2713000     -0.2435000      0.3677000
  1 1 1      10    7   27 o    6.328000      0.1830000       5.961000 0.2466000       6.695000      0.2706000     -0.7341000      0.3661000
  1 1 1      10    7   28 o    2.534000      0.5353000       2.980000 0.7339000       2.088000      0.7794000      0.8920000       1.071000
  1 1 1      10    7   29 o    5.957000      0.3312000       5.520000 0.4499000       6.395000      0.4861000     -0.8751000      0.6623000
  1 1 1      10    7   30 o    6.799000      0.2073000       6.923000 0.2772000       6.674000      0.3084000      0.2482000      0.4147000
  1 1 1      10    7   31 o    2.471000      0.4187000       1.593000 0.6441000       3.350000      0.5351000      -1.757000      0.8374000
  1 1 1      10    7   32 o    3.746000      0.3391000       3.523000 0.4716000       3.969000      0.4873000     -0.4456000      0.6781000
  1 1 1      10    7   33 o    7.429000      0.2281000       7.276000 0.3061000       7.583000      0.3383000     -0.3064000      0.4563000
  1 1 1      10    7   34 o    2.619000      0.4927000       2.458000 0.6722000       2.780000      0.7205000     -0.3211000      0.9854000
  1 1 1      10    7   35 o    6.103000      0.3307000       6.765000 0.3353000       5.440000      0.5702000       1.325000      0.6615000
  1 1 1      10    7   36 o    2.610000      0.4546000       3.522000 0.5588000       1.699000      0.7172000       1.823000      0.9092000
  1 1 1      10    8    0 o    2.964000      0.2893000       3.236000 0.4590000       2.692000      0.3525000      0.5441000      0.5787000
  1 1 1      10    8    1 o    4.396000      0.2712000       4.713000 0.3421000       4.080000      0.4209000      0.6335000      0.5424000
  1 1 1      10    8    2 o    15.01000      0.2178000       14.95000 0.3065000       15.07000      0.3096000     -0.1180000      0.4356000
  1 1 1      10    8    3 o    16.27000      0.2325000       16.08000 0.3258000       16.45000      0.3319000     -0.3667000      0.4651000
  1 1 1      10    8    4 o    14.74000      0.2130000       14.65000 0.2992000       14.84000      0.3031000     -0.1890000      0.4259000
  1 1 1      10    8    5 o    16.08000      0.2274000       16.32000 0.3254000       15.83000      0.3178000      0.4857000      0.4549000
  1 1 1      10    8    6 o    21.43000      0.2938000       21.49000 0.4163000       21.37000      0.4146000      0.1234000      0.5876000
  1 1 1      10    8    7 o    33.93000      0.6453000       33.93000 0.6453000                  ?              ?              ?              ?
  1 1 1      10    8    8 o    29.74000      0.4005000       29.71000 0.5652000       29.78000      0.5676000     -0.7039000E-01  0.8010000
  1 1 1      10    8    9 o    12.17000      0.2471000                  ?       ?   12.17000      0.2471000                  ?              ?
  1 1 1      10    8   10 o    13.95000      0.1960000       14.02000 0.2758000       13.87000      0.2785000      0.1564000      0.3920000
  1 1 1      10    8   11 o    9.699000      0.1638000       9.799000 0.2132000       9.599000      0.2488000      0.1994000      0.3276000
  1 1 1      10    8   12 o    5.501000      0.1438000       5.706000 0.1961000       5.296000      0.2105000      0.4101000      0.2877000
  1 1 1      10    8   13 f    4.606000      0.1488000       4.525000 0.2086000       4.687000      0.2123000     -0.1622000      0.2976000
  1 1 1      10    8   14 o    8.251000      0.1796000       7.963000 0.2887000       8.539000      0.2139000     -0.5752000      0.3593000
  1 1 1      10    8   15 o    14.73000      0.2592000       15.51000 0.4342000       13.95000      0.2832000       1.567000      0.5184000
  1 1 1      10    8   16 o    4.754000      0.1648000       4.742000 0.2460000       4.767000      0.2193000     -0.2506000E-01  0.3295000
  1 1 1      10    8   17 o    4.843000      0.1828000       5.367000 0.2603000       4.319000      0.2568000       1.048000      0.3657000
  1 1 1      10    8   18 f    1.755000      0.3623000       1.451000 0.5504000       2.060000      0.4712000     -0.6095000      0.7246000
  1 1 1      10    8   19 f    11.77000      0.1966000       11.82000 0.2901000       11.72000      0.2655000      0.9744000E-01  0.3933000
  1 1 1      10    8   20 o    4.868000      0.1891000       4.608000 0.2816000       5.127000      0.2523000     -0.5187000      0.3781000
  1 1 1      10    8   21 o    3.616000      0.2268000       3.855000 0.3161000       3.378000      0.3252000      0.4774000      0.4535000
  1 1 1      10    8   22 o    2.413000      0.4077000       2.681000 0.5154000       2.146000      0.6319000      0.5350000      0.8154000
  1 1 1      10    8   23 o    7.509000      0.2034000       7.737000 0.2865000       7.281000      0.2888000      0.4562000      0.4068000
  1 1 1      10    8   24 o    5.805000      0.1672000       5.916000 0.2395000       5.694000      0.2333000      0.2226000      0.3343000
  1 1 1      10    8   25 o    6.925000      0.1712000       7.095000 0.2469000       6.756000      0.2371000      0.3388000      0.3423000
  1 1 1      10    8   26 o    13.77000      0.2101000       13.79000 0.2943000       13.76000      0.2998000      0.2284000E-01  0.4201000
  1 1 1      10    8   27 o    3.474000      0.4569000       3.473000 0.5817000       3.474000      0.7047000     -0.1314000E-02  0.9138000
  1 1 1      10    8   28 o    3.473000      0.4632000       2.959000 0.6862000       3.987000      0.6222000      -1.029000      0.9263000
  1 1 1      10    8   29 o    2.696000      0.3785000       2.611000 0.5216000       2.781000      0.5486000     -0.1708000      0.7570000
  1 1 1      10    8   30 o    7.910000      0.1969000       7.907000 0.2742000       7.913000      0.2826000     -0.5650000E-02  0.3938000
  1 1 1      10    8   31 o    3.761000      0.3446000       4.304000 0.3979000       3.218000      0.5626000       1.087000      0.6891000
  1 1 1      10    8   32 o    2.098000      0.4865000       1.863000 0.6592000       2.332000      0.7155000     -0.4686000      0.9729000
  1 1 1      10    8   33 o    6.487000      0.2378000       6.234000 0.3186000       6.740000      0.3532000     -0.5065000      0.4757000
  1 1 1      10    8   34 o    3.174000      0.4366000       3.249000 0.5576000       3.099000      0.6721000      0.1498000      0.8733000
  1 1 1      10    8   35 o    2.923000      0.4809000       2.771000 0.6697000       3.076000      0.6903000     -0.3053000      0.9617000
  1 1 1      10    8   36 o    5.005000      0.3146000       5.367000 0.3926000       4.643000      0.4917000      0.7242000      0.6292000
  1 1 1      10    9    0 o    13.26000      0.2038000       13.14000 0.2872000       13.39000      0.2892000     -0.2444000      0.4076000
  1 1 1      10    9    1 o    20.86000      0.2918000       20.38000 0.4040000       21.34000      0.4211000     -0.9646000      0.5836000
  1 1 1      10    9    2 o    8.827000      0.2325000       8.686000 0.3181000       8.967000      0.3390000     -0.2808000      0.4649000
  1 1 1      10    9    3 o    3.984000      0.2755000       3.305000 0.4108000       4.664000      0.3672000      -1.359000      0.5510000
  1 1 1      10    9    4 o    20.32000      0.4000000       20.75000 0.5750000       19.89000      0.5562000      0.8557000      0.8000000
  1 1 1      10    9    5 o    12.81000      0.1898000       12.86000 0.2696000       12.75000      0.2673000      0.1104000      0.3797000
  1 1 1      10    9    6 o    10.14000      0.1593000       10.36000 0.2271000       9.922000      0.2235000      0.4328000      0.3186000
  1 1 1      10    9    7 o    16.64000      0.2321000       16.55000 0.3261000       16.74000      0.3304000     -0.1959000      0.4643000
  1 1 1      10    9    8 o    11.25000      0.1652000       11.28000 0.2333000       11.22000      0.2339000      0.5903000E-01  0.3304000
  1 1 1      10    9    9 o    11.00000      0.1607000       10.90000 0.2241000       11.10000      0.2305000     -0.2019000      0.3215000
  1 1 1      10    9   10 o    6.376000      0.1278000       6.340000 0.1688000       6.412000      0.1920000     -0.7194000E-01  0.2556000
  1 1 1      10    9   11 o    8.913000      0.1672000       8.834000 0.2090000       8.993000      0.2610000     -0.1590000      0.3343000
  1 1 1      10    9   12 o    14.94000      0.2505000       15.06000 0.3201000       14.81000      0.3853000      0.2539000      0.5009000
  1 1 1      10    9   13 o    11.20000      0.2030000       11.06000 0.2709000       11.34000      0.3025000     -0.2853000      0.4061000
  1 1 1      10    9   14 o    7.145000      0.1738000       7.256000 0.2508000       7.033000      0.2406000      0.2239000      0.3475000
  1 1 1      10    9   15 o    3.902000      0.2160000       3.952000 0.3044000       3.853000      0.3066000      0.9860000E-01  0.4320000
  1 1 1      10    9   16 o    5.275000      0.1795000       5.544000 0.2545000       5.006000      0.2531000      0.5383000      0.3590000
  1 1 1      10    9   17 o    6.045000      0.1797000       6.435000 0.2623000       5.655000      0.2457000      0.7796000      0.3595000
  1 1 1      10    9   18 o    9.239000      0.1990000       9.019000 0.2938000       9.459000      0.2685000     -0.4408000      0.3980000
  1 1 1      10    9   19 o    6.246000      0.2547000       5.826000 0.2577000       6.666000      0.4393000     -0.8400000      0.5093000
  1 1 1      10    9   20 o    7.494000      0.3299000       7.436000 0.5124000       7.553000      0.4157000     -0.1174000      0.6598000
  1 1 1      10    9   21 f    5.244000      0.2630000       5.220000 0.3760000       5.268000      0.3679000     -0.4825000E-01  0.5260000
  1 1 1      10    9   22 o    4.453000      0.2238000       4.553000 0.3364000       4.353000      0.2953000      0.1997000      0.4476000
  1 1 1      10    9   23 f    9.335000      0.1749000       9.050000 0.2463000       9.619000      0.2484000     -0.5695000      0.3498000
  1 1 1      10    9   24 o    3.169000      0.2522000       2.454000 0.4191000       3.883000      0.2806000      -1.428000      0.5044000
  1 1 1      10    9   25 o    6.759000      0.3063000       6.936000 0.4650000       6.581000      0.3988000      0.3553000      0.6125000
  1 1 1      10    9   26 o    12.07000      0.3134000       11.66000 0.4601000       12.48000      0.4257000     -0.8173000      0.6269000
  1 1 1      10    9   27 o    6.370000      0.1935000       6.362000 0.2798000       6.377000      0.2673000     -0.1523000E-01  0.3869000
  1 1 1      10    9   28 o    1.209000      0.3778000       1.165000 0.5147000       1.253000      0.5533000     -0.8780000E-01  0.7557000
  1 1 1      10    9   29 o    5.950000      0.2066000       5.901000 0.2781000       6.000000      0.3056000     -0.9918000E-01  0.4132000
  1 1 1      10    9   30 o    2.267000      0.4422000       2.091000 0.5995000       2.444000      0.6501000     -0.3535000      0.8843000
  1 1 1      10    9   31 o    6.616000      0.2153000       6.442000 0.2870000       6.790000      0.3209000     -0.3481000      0.4306000
  1 1 1      10    9   32 o    6.952000      0.2211000       6.715000 0.3036000       7.189000      0.3215000     -0.4735000      0.4422000
  1 1 1      10    9   33 o    5.075000      0.2839000       4.865000 0.3864000       5.286000      0.4160000     -0.4203000      0.5678000
  1 1 1      10    9   34 o    3.044000      0.4554000       3.418000 0.5546000       2.671000      0.7224000      0.7469000      0.9108000
  1 1 1      10    9   35 o    1.595000      0.4786000       1.714000 0.6933000       1.477000      0.6601000      0.2369000      0.9573000
  1 1 1      10    9   36 o    4.835000      0.3262000       4.943000 0.4329000       4.726000      0.4881000      0.2171000      0.6525000
  1 1 1      10   10    0 f    16.11000      0.3320000       16.25000 0.4761000       15.97000      0.4629000      0.2820000      0.6640000
  1 1 1      10   10    1 o    6.939000      0.1583000       7.060000 0.2206000       6.817000      0.2269000      0.2429000      0.3165000
  1 1 1      10   10    2 o    25.36000      0.3484000       25.41000 0.4937000       25.31000      0.4918000      0.1067000      0.6969000
  1 1 1      10   10    3 o    13.68000      0.2034000       13.54000 0.2855000       13.81000      0.2896000     -0.2749000      0.4067000
  1 1 1      10   10    4 o    29.13000      0.3957000       29.88000 0.5732000       28.38000      0.5456000       1.501000      0.7913000
  1 1 1      10   10    5 o    8.542000      0.2176000       8.129000 0.2947000       8.955000      0.3201000     -0.8268000      0.4351000
  1 1 1      10   10    6 o    9.137000      0.2196000       8.961000 0.2978000       9.314000      0.3227000     -0.3526000      0.4391000
  1 1 1      10   10    7 o    5.614000      0.1996000       5.902000 0.2655000       5.326000      0.2982000      0.5761000      0.3992000
  1 1 1      10   10    8 o    15.13000      0.3025000       15.03000 0.4226000       15.23000      0.4329000     -0.1980000      0.6050000
  1 1 1      10   10    9 o    15.19000      0.2609000       15.20000 0.2995000       15.19000      0.4273000      0.2998000E-02  0.5218000
  1 1 1      10   10   10 o    7.632000      0.1482000       7.965000 0.1966000       7.300000      0.2219000      0.6654000      0.2965000
  1 1 1      10   10   11 o    7.125000      0.1624000       7.186000 0.2179000       7.064000      0.2408000      0.1220000      0.3247000
  1 1 1      10   10   12 o    7.496000      0.1711000       7.438000 0.2349000       7.555000      0.2488000     -0.1163000      0.3421000
  1 1 1      10   10   13 o    3.801000      0.2392000       3.504000 0.3810000       4.098000      0.2893000     -0.5933000      0.4785000
  1 1 1      10   10   14 o    4.426000      0.3805000       4.459000 0.6584000       4.394000      0.3815000      0.6505000E-01  0.7609000
  1 1 1      10   10   16 o    7.009000      0.8869000       6.599000 1.664000       7.418000      0.6134000     -0.8186000       1.774000
  1 1 1      10   10   17 o    6.058000      0.8645000       4.700000 1.585000       7.415000      0.6917000      -2.715000       1.729000
  1 1 1      10   10   18 o    8.458000      0.1851000       8.378000 0.2735000       8.538000      0.2495000     -0.1592000      0.3702000
  1 1 1      10   10   19 o    3.884000      0.2621000       3.220000 0.4294000       4.547000      0.3007000      -1.327000      0.5242000
  1 1 1      10   10   20 o    10.96000      0.2011000       10.74000 0.2982000       11.18000      0.2698000     -0.4361000      0.4022000
  1 1 1      10   10   21 o    6.995000      0.1938000       7.200000 0.2904000       6.790000      0.2569000      0.4101000      0.3877000
  1 1 1      10   10   22 o    14.84000      0.3180000       15.15000 0.4624000       14.53000      0.4366000      0.6193000      0.6360000
  1 1 1      10   10   23 o    9.846000      0.2683000       10.14000 0.3936000       9.555000      0.3649000      0.5809000      0.5367000
  1 1 1      10   10   24 o    4.067000      0.3152000       3.955000 0.3788000       4.178000      0.5038000     -0.2229000      0.6303000
  1 1 1      10   10   25 o    6.584000      0.1829000       6.646000 0.2639000       6.522000      0.2534000      0.1241000      0.3659000
  1 1 1      10   10   26 o    4.274000      0.2416000       4.271000 0.3466000       4.277000      0.3366000     -0.5061000E-02  0.4831000
  1 1 1      10   10   27 o    7.241000      0.1908000       7.016000 0.2749000       7.466000      0.2647000     -0.4499000      0.3816000
  1 1 1      10   10   28 o    5.722000      0.2142000       5.741000 0.3068000       5.703000      0.2990000      0.3775000E-01  0.4284000
  1 1 1      10   10   29 o    6.550000      0.2300000       6.427000 0.3572000       6.673000      0.2900000     -0.2464000      0.4601000
  1 1 1      10   10   30 o    1.267000      0.4002000       1.180000 0.5316000       1.355000      0.5985000     -0.1752000      0.8005000
  1 1 1      10   10   31 o    1.568000      0.4534000       1.484000 0.6100000       1.652000      0.6711000     -0.1681000      0.9069000
  1 1 1      10   10   32 o    7.156000      0.2246000       7.040000 0.3057000       7.273000      0.3291000     -0.2327000      0.4491000
  1 1 1      10   10   33 o    1.705000      0.4865000       1.568000 0.6565000       1.842000      0.7181000     -0.2741000      0.9730000
  1 1 1      10   10   34 o    1.902000      0.4954000       1.540000 0.6505000       2.264000      0.7474000     -0.7244000      0.9909000
  1 1 1      10   10   35 o    2.586000      0.5137000       2.800000 0.6953000       2.372000      0.7564000      0.4281000       1.027000
  1 1 1      10   10   36 o    2.791000      0.5847000       3.013000 0.6925000       2.568000      0.9422000      0.4456000       1.169000
  1 1 1      10   11    0 o    16.04000      0.2361000       16.59000 0.3419000       15.48000      0.3258000       1.108000      0.4723000
  1 1 1      10   11    1 o    4.875000      0.2468000       5.156000 0.3615000       4.594000      0.3361000      0.5613000      0.4936000
  1 1 1      10   11    2 o    1.976000      0.4022000       2.489000 0.5752000       1.462000      0.5625000       1.027000      0.8045000
  1 1 1      10   11    3 o    4.477000      0.2259000       4.832000 0.3238000       4.123000      0.3150000      0.7085000      0.4518000
  1 1 1      10   11    4 o    1.769000      0.3306000       1.763000 0.4690000       1.774000      0.4662000     -0.1100000E-01  0.6613000
  1 1 1      10   11    5 o    10.62000      0.1666000       10.70000 0.2363000       10.54000      0.2349000      0.1621000      0.3332000
  1 1 1      10   11    6 o    5.910000      0.1367000       5.856000 0.1936000       5.963000      0.1930000     -0.1070000      0.2734000
  1 1 1      10   11    7 o    1.302000      0.3001000       1.403000 0.4222000       1.200000      0.4267000      0.2031000      0.6002000
  1 1 1      10   11    8 o    22.10000      0.4255000       22.10000 0.4255000                  ?              ?              ?              ?
  1 1 1      10   11    9 o    9.777000      0.1563000       9.662000 0.2118000       9.891000      0.2298000     -0.2291000      0.3125000
  1 1 1      10   11   10 o    1.912000      0.3103000       1.921000 0.3670000       1.902000      0.5003000      0.1970000E-01  0.6205000
  1 1 1      10   11   11 o    9.483000      0.1907000       9.597000 0.2542000       9.369000      0.2843000      0.2281000      0.3814000
  1 1 1      10   11   12 o    7.159000      0.1877000       6.877000 0.2647000       7.441000      0.2661000     -0.5641000      0.3753000
  1 1 1      10   11   13 o    9.466000      0.2040000       9.527000 0.2772000       9.406000      0.2994000      0.1215000      0.4080000
  1 1 1      10   11   14 o    4.946000      0.2693000       4.828000 0.4055000       5.065000      0.3545000     -0.2369000      0.5386000
  1 1 1      10   11   15 o    5.782000      0.2175000       5.882000 0.3142000       5.681000      0.3010000      0.2011000      0.4351000
  1 1 1      10   11   16 o    9.981000      0.2203000       9.959000 0.3291000       10.00000      0.2928000     -0.4491000E-01  0.4405000
  1 1 1      10   11   17 o    2.809000      0.3140000       3.070000 0.4202000       2.548000      0.4667000      0.5217000      0.6280000
  1 1 1      10   11   18 o    3.170000      0.2941000       2.906000 0.4525000       3.435000      0.3757000     -0.5292000      0.5881000
  1 1 1      10   11   19 o    11.52000      0.2527000       11.15000 0.3533000       11.89000      0.3615000     -0.7462000      0.5055000
  1 1 1      10   11   20 o    3.037000      0.3830000       2.591000 0.6300000       3.483000      0.4357000     -0.8917000      0.7660000
  1 1 1      10   11   21 o    10.55000      0.2582000       10.78000 0.3768000       10.31000      0.3531000      0.4638000      0.5164000
  1 1 1      10   11   22 o    10.19000      0.2020000       9.875000 0.2950000       10.51000      0.2760000     -0.6324000      0.4039000
  1 1 1      10   11   23 o    11.42000      0.2484000       11.17000 0.4137000       11.68000      0.2752000     -0.5028000      0.4969000
  1 1 1      10   11   24 o    11.02000      0.2005000       11.16000 0.2923000       10.88000      0.2744000      0.2730000      0.4009000
  1 1 1      10   11   25 o    7.332000      0.1974000       7.336000 0.2888000       7.328000      0.2693000      0.7621000E-02  0.3949000
  1 1 1      10   11   26 o    3.903000      0.2748000       4.466000 0.3457000       3.340000      0.4272000       1.126000      0.5496000
  1 1 1      10   11   27 o    3.577000      0.3126000       3.733000 0.4315000       3.420000      0.4525000      0.3136000      0.6252000
  1 1 1      10   11   28 o    9.837000      0.2034000       9.540000 0.2921000       10.13000      0.2832000     -0.5940000      0.4068000
  1 1 1      10   11   29 o    6.764000      0.2204000       6.556000 0.3232000       6.973000      0.2998000     -0.4174000      0.4408000
  1 1 1      10   11   30 o    2.926000      0.4159000       2.722000 0.6024000       3.130000      0.5735000     -0.4072000      0.8318000
  1 1 1      10   11   31 o    2.518000      0.4678000       2.810000 0.6072000       2.226000      0.7118000      0.5846000      0.9357000
  1 1 1      10   11   32 o    5.507000      0.2638000       5.336000 0.3680000       5.677000      0.3780000     -0.3412000      0.5276000
  1 1 1      10   11   33 o    6.351000      0.2471000       6.155000 0.3381000       6.547000      0.3603000     -0.3923000      0.4941000
  1 1 1      10   11   34 o    2.512000      0.5138000       2.217000 0.7016000       2.807000      0.7507000     -0.5901000       1.028000
  1 1 1      10   11   35 f    1.481000      0.4589000       1.677000 0.6871000       1.285000      0.6083000      0.3925000      0.9177000
  1 1 1      10   11   36 o    1.991000      0.7400000       1.991000 0.7400000                  ?              ?              ?              ?
  1 1 1      10   12    0 o    20.20000      0.2854000       20.22000 0.4042000       20.18000      0.4029000      0.3625000E-01  0.5707000
  1 1 1      10   12    1 o    19.14000      0.2713000       19.00000 0.3813000       19.27000      0.3861000     -0.2691000      0.5427000
  1 1 1      10   12    2 o    6.977000      0.1582000       7.019000 0.2265000       6.935000      0.2209000      0.8433000E-01  0.3164000
  1 1 1      10   12    3 o    6.106000      0.1557000       6.143000 0.2244000       6.068000      0.2158000      0.7513000E-01  0.3113000
  1 1 1      10   12    4 o    21.74000      0.4226000       21.96000 0.6040000       21.53000      0.5911000      0.4274000      0.8451000
  1 1 1      10   12    5 o    7.007000      0.1901000       6.855000 0.2742000       7.158000      0.2633000     -0.3030000      0.3802000
  1 1 1      10   12    6 o    17.77000      0.3479000       17.98000 0.4974000       17.56000      0.4865000      0.4217000      0.6957000
  1 1 1      10   12    7 o    9.708000      0.2126000       10.01000 0.3033000       9.406000      0.2980000      0.6040000      0.4253000
  1 1 1      10   12    8 o    25.03000      0.6793000       25.03000 0.6793000                  ?              ?              ?              ?
  1 1 1      10   12    9 o    10.22000      0.2493000       10.15000 0.3259000       10.29000      0.3773000     -0.1352000      0.4985000
  1 1 1      10   12   10 f    12.05000      0.6079000                  ?       ?   12.05000      0.6079000                  ?              ?
  1 1 1      10   12   11 o    9.627000      0.9002000       10.39000 0.5039000       8.863000       1.728000       1.526000       1.800000
  1 1 1      10   12   12 o    6.267000       1.077000       6.604000 0.7623000       5.930000       2.015000      0.6749000       2.155000
  1 1 1      10   12   13 o    8.324000      0.7198000       9.103000 0.5541000       7.545000       1.329000       1.558000       1.440000
  1 1 1      10   12   14 o    8.442000      0.3428000       8.802000 0.3853000       8.082000      0.5672000      0.7204000      0.6857000
  1 1 1      10   12   15 o    9.042000      0.2816000       9.715000 0.3701000       8.370000      0.4244000       1.344000      0.5631000
  1 1 1      10   12   16 o    8.074000      0.2372000       8.284000 0.3257000       7.864000      0.3449000      0.4200000      0.4743000
  1 1 1      10   12   17 o    3.906000      0.2632000       3.854000 0.3655000       3.957000      0.3789000     -0.1024000      0.5265000
  1 1 1      10   12   18 o    4.526000      0.8551000       3.728000 1.366000       5.324000       1.029000      -1.595000       1.710000
  1 1 1      10   12   19 o    8.426000      0.2130000       8.618000 0.3124000       8.233000      0.2895000      0.3845000      0.4259000
  1 1 1      10   12   20 o    8.289000      0.2150000       7.995000 0.3246000       8.583000      0.2821000     -0.5883000      0.4301000
  1 1 1      10   12   21 o    6.623000      0.2226000       6.980000 0.3240000       6.266000      0.3053000      0.7141000      0.4452000
  1 1 1      10   12   22 o    3.590000      0.3567000       3.998000 0.5059000       3.182000      0.5031000      0.8163000      0.7135000
  1 1 1      10   12   23 o    1.915000      0.4567000       1.577000 0.6568000       2.253000      0.6347000     -0.6758000      0.9134000
  1 1 1      10   12   24 o    7.651000      0.2919000       7.661000 0.4437000       7.640000      0.3795000      0.2072000E-01  0.5839000
  1 1 1      10   12   25 o    2.960000      0.4067000       3.243000 0.5747000       2.678000      0.5755000      0.5645000      0.8133000
  1 1 1      10   12   26 o    2.632000      0.4541000       2.466000 0.7064000       2.797000      0.5708000     -0.3303000      0.9082000
  1 1 1      10   12   27 o    6.906000      0.2086000       6.543000 0.3075000       7.268000      0.2820000     -0.7253000      0.4172000
  1 1 1      10   12   28 o    6.250000      0.2271000       6.218000 0.3304000       6.282000      0.3116000     -0.6366000E-01  0.4542000
  1 1 1      10   12   29 o    4.818000      0.2762000       4.957000 0.3883000       4.679000      0.3930000      0.2785000      0.5525000
  1 1 1      10   12   30 o    4.608000      0.2949000       4.508000 0.4269000       4.707000      0.4070000     -0.1991000      0.5898000
  1 1 1      10   12   31 f    8.000000      0.2289000       7.901000 0.3318000       8.100000      0.3153000     -0.1990000      0.4577000
  1 1 1      10   12   32 o    5.401000      0.2857000       5.092000 0.4287000       5.711000      0.3778000     -0.6193000      0.5714000
  1 1 1      10   12   33 o    5.807000      0.2743000       5.767000 0.3599000       5.846000      0.4140000     -0.7871000E-01  0.5485000
  1 1 1      10   12   34 o    1.854000      0.4992000       2.210000 0.7461000       1.498000      0.6635000      0.7121000      0.9984000
  1 1 1      10   12   35 o    2.894000      0.5247000       2.664000 0.7624000       3.124000      0.7212000     -0.4601000       1.049000
  1 1 1      10   13    0 o    11.74000      0.1910000       11.97000 0.2715000       11.52000      0.2687000      0.4567000      0.3820000
  1 1 1      10   13    1 o    2.580000      0.2891000       2.744000 0.3923000       2.416000      0.4246000      0.3281000      0.5781000
  1 1 1      10   13    2 o    23.52000      0.3248000       24.10000 0.4696000       22.93000      0.4490000       1.176000      0.6497000
  1 1 1      10   13    3 o    14.02000      0.2085000       14.31000 0.2984000       13.73000      0.2912000      0.5790000      0.4169000
  1 1 1      10   13    4 o    5.955000      0.1495000       5.703000 0.2105000       6.207000      0.2123000     -0.5035000      0.2989000
  1 1 1      10   13    5 o    2.488000      0.2435000       2.169000 0.3864000       2.806000      0.2963000     -0.6371000      0.4869000
  1 1 1      10   13    6 o    1.946000      0.3638000       2.002000 0.3737000       1.891000      0.6242000      0.1105000      0.7275000
  1 1 1      10   13    7 o    6.651000      0.1368000       6.663000 0.1863000       6.639000      0.2005000      0.2367000E-01  0.2737000
  1 1 1      10   13    8 o    9.094000      0.2142000       9.094000 0.2142000                  ?              ?              ?              ?
  1 1 1      10   13    9 o    5.468000      0.1686000       5.514000 0.2184000       5.421000      0.2571000      0.9242000E-01  0.3373000
  1 1 1      10   13   11 o    2.591000      0.3319000       2.484000 0.5151000       2.697000      0.4186000     -0.2129000      0.6638000
  1 1 1      10   13   12 o    4.532000      0.2643000       4.282000 0.4214000       4.782000      0.3191000     -0.4997000      0.5286000
  1 1 1      10   13   13 o    8.761000      0.2304000       8.755000 0.3382000       8.767000      0.3131000     -0.1188000E-01  0.4608000
  1 1 1      10   13   14 o    7.119000      0.2593000       6.919000 0.3774000       7.320000      0.3558000     -0.4014000      0.5187000
  1 1 1      10   13   15 o    4.682000      0.3398000       4.843000 0.4726000       4.521000      0.4883000      0.3216000      0.6795000
  1 1 1      10   13   16 o    6.579000      0.2509000       6.297000 0.3505000       6.862000      0.3593000     -0.5657000      0.5019000
  1 1 1      10   13   17 o    2.043000      0.4449000       1.735000 0.6283000       2.351000      0.6302000     -0.6163000      0.8899000
  1 1 1      10   13   18 o    9.417000      0.2282000       9.407000 0.3347000       9.426000      0.3101000     -0.1867000E-01  0.4563000
  1 1 1      10   13   19 o    11.28000      0.2439000       11.71000 0.3738000       10.85000      0.3134000      0.8665000      0.4878000
  1 1 1      10   13   20 o    6.418000      0.2301000       6.520000 0.3411000       6.315000      0.3089000      0.2050000      0.4602000
  1 1 1      10   13   21 o    8.328000      0.2304000       8.694000 0.3554000       7.962000      0.2933000      0.7319000      0.4608000
  1 1 1      10   13   22 o    7.310000      0.2264000       7.428000 0.3393000       7.192000      0.2998000      0.2359000      0.4528000
  1 1 1      10   13   23 o    5.509000      0.2701000       5.224000 0.4261000       5.795000      0.3319000     -0.5713000      0.5401000
  1 1 1      10   13   24 o    5.289000      0.2593000       5.297000 0.3865000       5.281000      0.3457000      0.1594000E-01  0.5185000
  1 1 1      10   13   25 o    1.209000      0.3995000       1.315000 0.6040000       1.103000      0.5232000      0.2119000      0.7991000
  1 1 1      10   13   26 o    8.455000      0.2151000       8.763000 0.3189000       8.147000      0.2888000      0.6167000      0.4302000
  1 1 1      10   13   27 o    4.654000      0.3101000       4.067000 0.4982000       5.241000      0.3693000      -1.173000      0.6201000
  1 1 1      10   13   28 o    4.113000      0.3192000       4.088000 0.4651000       4.139000      0.4373000     -0.5165000E-01  0.6383000
  1 1 1      10   13   29 o    4.273000      0.3170000       4.093000 0.4764000       4.453000      0.4184000     -0.3602000      0.6340000
  1 1 1      10   13   30 o    1.582000      0.4762000       1.682000 0.6966000       1.481000      0.6496000      0.2015000      0.9525000
  1 1 1      10   13   31 o    6.803000      0.2544000       6.759000 0.3717000       6.848000      0.3474000     -0.8948000E-01  0.5088000
  1 1 1      10   13   32 o    1.759000      0.5130000       1.709000 0.7189000       1.808000      0.7319000     -0.9841000E-01   1.026000
  1 1 1      10   13   33 o    3.693000      0.4315000       4.174000 0.5515000       3.212000      0.6639000      0.9618000      0.8631000
  1 1 1      10   13   34 o    2.133000      0.5368000       1.901000 0.7373000       2.365000      0.7804000     -0.4642000       1.074000
  1 1 1      10   13   35 o    1.888000      0.5864000       2.132000 0.8860000       1.643000      0.7685000      0.4891000       1.173000
  1 1 1      10   14    0 o    18.25000      0.2617000       18.22000 0.3691000       18.29000      0.3712000     -0.6858000E-01  0.5234000
  1 1 1      10   14    1 o    4.498000      0.1884000       4.594000 0.2749000       4.402000      0.2578000      0.1911000      0.3768000
  1 1 1      10   14    2 o    15.53000      0.2265000       15.48000 0.3189000       15.58000      0.3217000     -0.1040000      0.4530000
  1 1 1      10   14    3 o    14.86000      0.2174000       14.98000 0.3088000       14.74000      0.3059000      0.2374000      0.4347000
  1 1 1      10   14    4 o    11.29000      0.1773000       11.62000 0.2540000       10.97000      0.2474000      0.6503000      0.3546000
  1 1 1      10   14    5 o    7.691000      0.1468000       7.743000 0.2046000       7.639000      0.2106000      0.1040000      0.2936000
  1 1 1      10   14    6 o    7.900000      0.1440000       7.634000 0.1979000       8.166000      0.2092000     -0.5315000      0.2879000
  1 1 1      10   14    7 o    5.797000      0.1516000       5.768000 0.1932000       5.826000      0.2338000     -0.5734000E-01  0.3033000
  1 1 1      10   14    8 o    14.41000      0.2538000       14.63000 0.2979000       14.19000      0.4110000      0.4409000      0.5076000
  1 1 1      10   14    9 o    4.447000      0.1892000       4.574000 0.2563000       4.320000      0.2784000      0.2537000      0.3784000
  1 1 1      10   14   10 o    3.725000      0.2244000       3.566000 0.3159000       3.884000      0.3187000     -0.3180000      0.4488000
  1 1 1      10   14   11 f    3.188000      0.3233000       3.505000 0.4548000       2.872000      0.4596000      0.6328000      0.6466000
  1 1 1      10   14   12 o    4.400000      0.2736000       4.282000 0.4305000       4.517000      0.3377000     -0.2346000      0.5472000
  1 1 1      10   14   13 o    12.26000      0.2602000       12.61000 0.3671000       11.92000      0.3690000      0.6907000      0.5205000
  1 1 1      10   14   14 o    5.801000      0.3308000       5.828000 0.4819000       5.775000      0.4532000      0.5376000E-01  0.6616000
  1 1 1      10   14   15 o    12.19000      0.2780000       12.46000 0.4317000       11.93000      0.3504000      0.5320000      0.5560000
  1 1 1      10   14   16 o    9.646000      0.2438000       9.718000 0.3543000       9.574000      0.3350000      0.1441000      0.4875000
  1 1 1      10   14   17 o    4.274000      0.3395000       4.562000 0.4420000       3.986000      0.5153000      0.5764000      0.6789000
  1 1 1      10   14   18 o    4.438000      0.2756000       4.682000 0.3819000       4.193000      0.3974000      0.4889000      0.5512000
  1 1 1      10   14   19 o    11.94000      0.2552000       12.45000 0.3917000       11.44000      0.3273000       1.006000      0.5105000
  1 1 1      10   14   20 o    6.520000      0.2392000       6.765000 0.3508000       6.276000      0.3253000      0.4884000      0.4784000
  1 1 1      10   14   21 o    15.75000      0.3014000       16.19000 0.4794000       15.30000      0.3655000      0.8970000      0.6028000
  1 1 1      10   14   22 o    2.083000      0.4656000       1.601000 0.6775000       2.565000      0.6387000     -0.9635000      0.9311000
  1 1 1      10   14   23 o    13.22000      0.2468000       13.36000 0.3708000       13.09000      0.3258000      0.2705000      0.4936000
  1 1 1      10   14   24 o    8.041000      0.2381000       8.070000 0.3601000       8.011000      0.3117000      0.5832000E-01  0.4763000
  1 1 1      10   14   25 o    7.922000      0.2773000       8.337000 0.4611000       7.506000      0.3081000      0.8310000      0.5545000
  1 1 1      10   14   26 o    4.067000      0.3602000       4.348000 0.5301000       3.787000      0.4878000      0.5610000      0.7204000
  1 1 1      10   14   27 o    4.896000      0.3135000       5.426000 0.4418000       4.366000      0.4449000       1.059000      0.6270000
  1 1 1      10   14   28 o    5.054000      0.3095000       5.139000 0.4659000       4.969000      0.4076000      0.1695000      0.6190000
  1 1 1      10   14   29 o    3.264000      0.4661000       3.700000 0.6113000       2.827000      0.7037000      0.8731000      0.9321000
  1 1 1      10   14   30 o    2.307000      0.5332000       2.415000 0.7618000       2.200000      0.7463000      0.2150000       1.066000
  1 1 1      10   14   31 o    4.482000      0.3559000       4.240000 0.5479000       4.723000      0.4543000     -0.4828000      0.7117000
  1 1 1      10   14   32 o    1.926000      0.5643000       2.070000 0.7803000       1.781000      0.8154000      0.2889000       1.129000
  1 1 1      10   14   33 o    1.764000      0.5653000       1.887000 0.8262000       1.641000      0.7718000      0.2460000       1.131000
  1 1 1      10   14   34 o    4.053000      0.6087000       3.943000 0.8352000       4.162000      0.8857000     -0.2195000       1.217000
  1 1 1      10   14   35 o    2.185000      0.5520000       1.716000 0.7376000       2.655000      0.8214000     -0.9387000       1.104000
  1 1 1      10   15    0 o    13.52000      0.2084000       13.41000 0.2927000       13.64000      0.2969000     -0.2308000      0.4169000
  1 1 1      10   15    1 o    2.517000      0.3065000       2.658000 0.4404000       2.376000      0.4266000      0.2825000      0.6131000
  1 1 1      10   15    2 o    14.34000      0.2137000       13.99000 0.2966000       14.69000      0.3078000     -0.7040000      0.4275000
  1 1 1      10   15    3 o    11.02000      0.1771000       10.89000 0.2474000       11.15000      0.2534000     -0.2596000      0.3541000
  1 1 1      10   15    4 o    8.000000      0.1506000       7.975000 0.2113000       8.025000      0.2145000     -0.4931000E-01  0.3011000
  1 1 1      10   15    5 o    9.495000      0.1596000       9.377000 0.2196000       9.613000      0.2316000     -0.2360000      0.3192000
  1 1 1      10   15    6 o    3.291000      0.2045000       3.399000 0.2572000       3.184000      0.3181000      0.2143000      0.4091000
  1 1 1      10   15    7 o    4.184000      0.1877000       3.837000 0.2513000       4.530000      0.2789000     -0.6932000      0.3754000
  1 1 1      10   15    8 o    5.898000      0.1726000       6.182000 0.2173000       5.615000      0.2681000      0.5667000      0.3451000
  1 1 1      10   15    9 o    1.656000      0.3443000       2.185000 0.4825000       1.126000      0.4912000       1.059000      0.6885000
  1 1 1      10   15   10 o    8.176000      0.1988000       8.000000 0.2763000       8.352000      0.2859000     -0.3518000      0.3976000
  1 1 1      10   15   11 o    5.070000      0.2643000       5.063000 0.4083000       5.077000      0.3356000     -0.1413000E-01  0.5285000
  1 1 1      10   15   12 o    2.486000      0.4370000       3.074000 0.6030000       1.898000      0.6328000       1.175000      0.8741000
  1 1 1      10   15   13 o    4.432000      0.4576000       3.923000 0.7873000       4.941000      0.4666000      -1.018000      0.9152000
  1 1 1      10   15   14 o    3.057000      0.5198000       4.131000 0.6527000       1.983000      0.8091000       2.148000       1.040000
  1 1 1      10   15   15 o    6.781000      0.3351000       7.397000 0.4850000       6.164000      0.4625000       1.233000      0.6701000
  1 1 1      10   15   16 o    8.230000      0.2645000       8.402000 0.3789000       8.059000      0.3693000      0.3428000      0.5291000
  1 1 1      10   15   17 o    7.154000      0.2649000       7.102000 0.3647000       7.206000      0.3843000     -0.1035000      0.5299000
  1 1 1      10   15   18 f    4.198000      0.3071000       4.482000 0.4188000       3.914000      0.4493000      0.5676000      0.6142000
  1 1 1      10   15   19 o    8.993000      0.2363000       9.213000 0.3464000       8.773000      0.3215000      0.4406000      0.4726000
  1 1 1      10   15   20 o    9.109000      0.2375000       9.200000 0.3520000       9.018000      0.3190000      0.1812000      0.4751000
  1 1 1      10   15   21 o    1.826000      0.4893000       2.054000 0.7260000       1.598000      0.6563000      0.4559000      0.9787000
  1 1 1      10   15   22 o    11.60000      0.2723000       11.33000 0.3743000       11.87000      0.3954000     -0.5393000      0.5445000
  1 1 1      10   15   23 o    6.710000      0.2674000       6.862000 0.4104000       6.558000      0.3428000      0.3041000      0.5347000
  1 1 1      10   15   24 o    3.352000      0.4763000       3.221000 0.7671000       3.483000      0.5649000     -0.2617000      0.9526000
  1 1 1      10   15   25 o    4.302000      0.3917000       4.904000 0.5436000       3.699000      0.5640000       1.204000      0.7833000
  1 1 1      10   15   26 o    3.482000      0.4561000       2.844000 0.7656000       4.121000      0.4959000      -1.277000      0.9121000
  1 1 1      10   15   27 o    10.40000      0.2311000       10.42000 0.3430000       10.39000      0.3097000      0.2724000E-01  0.4621000
  1 1 1      10   15   28 o    6.837000      0.2782000       6.689000 0.4386000       6.985000      0.3423000     -0.2962000      0.5563000
  1 1 1      10   15   29 o    2.574000      0.5680000       2.359000 0.8607000       2.789000      0.7415000     -0.4304000       1.136000
  1 1 1      10   15   30 o    3.646000      0.6529000       3.526000 0.9842000       3.766000      0.8581000     -0.2400000       1.306000
  1 1 1      10   15   31 o    3.589000      0.5814000       4.308000 0.6949000       2.870000      0.9324000       1.438000       1.163000
  1 1 1      10   15   32 o    2.016000      0.5531000       2.294000 0.8241000       1.738000      0.7380000      0.5559000       1.106000
  1 1 1      10   15   33 o    1.949000      0.5583000       1.945000 0.7883000       1.953000      0.7907000     -0.8074000E-02   1.117000
  1 1 1      10   15   34 o    2.854000      0.5502000       2.535000 0.7844000       3.173000      0.7718000     -0.6375000       1.100000
  1 1 1      10   16    0 o    7.004000      0.1705000       7.044000 0.2410000       6.964000      0.2412000      0.8007000E-01  0.3409000
  1 1 1      10   16    1 o    1.619000      0.3140000       2.318000 0.4574000      0.9197000      0.4301000       1.399000      0.6279000
  1 1 1      10   16    2 o    5.287000      0.1678000       5.401000 0.2383000       5.173000      0.2362000      0.2284000      0.3355000
  1 1 1      10   16    3 o    2.689000      0.2484000       2.955000 0.3322000       2.424000      0.3694000      0.5315000      0.4968000
  1 1 1      10   16    4 o    13.19000      0.1974000       13.17000 0.2769000       13.21000      0.2814000     -0.4734000E-01  0.3948000
  1 1 1      10   16    5 o    12.08000      0.2269000       12.62000 0.3740000       11.55000      0.2570000       1.070000      0.4538000
  1 1 1      10   16    6 o    4.720000      0.1749000       4.732000 0.2264000       4.709000      0.2668000      0.2360000E-01  0.3499000
  1 1 1      10   16    7 o    7.790000      0.2482000       7.698000 0.3152000       7.882000      0.3834000     -0.1837000      0.4964000
  1 1 1      10   16    8 o    9.493000      0.1901000       9.566000 0.2473000       9.419000      0.2887000      0.1472000      0.3801000
  1 1 1      10   16    9 o    1.790000      0.5342000       1.790000 0.5342000                  ?              ?              ?              ?
  1 1 1      10   16   10 o    3.027000      0.3414000       2.609000 0.5396000       3.445000      0.4185000     -0.8353000      0.6829000
  1 1 1      10   16   11 o    4.589000      0.3741000                  ?       ?   4.589000      0.3741000                  ?              ?
  1 1 1      10   16   12 o    5.093000      0.2944000       5.132000 0.4516000       5.053000      0.3778000      0.7928000E-01  0.5888000
  1 1 1      10   16   13 o    2.778000      0.5811000       3.592000 0.8714000       1.964000      0.7691000       1.628000       1.162000
  1 1 1      10   16   14 o    3.282000      0.5801000       3.204000 0.8850000       3.359000      0.7503000     -0.1546000       1.160000
  1 1 1      10   16   15 o    3.243000      0.6294000       2.714000 0.9073000       3.772000      0.8725000      -1.059000       1.259000
  1 1 1      10   16   16 o    1.686000      0.5063000       1.867000 0.7406000       1.505000      0.6907000      0.3621000       1.013000
  1 1 1      10   16   17 o    5.563000      0.3247000       5.633000 0.4357000       5.493000      0.4815000      0.1402000      0.6494000
  1 1 1      10   16   18 o    8.187000      0.2507000       8.284000 0.3685000       8.090000      0.3400000      0.1941000      0.5014000
  1 1 1      10   16   19 o    4.996000      0.2880000       5.227000 0.3989000       4.766000      0.4155000      0.4613000      0.5760000
  1 1 1      10   16   20 o    2.928000      0.4793000       3.085000 0.6803000       2.772000      0.6755000      0.3125000      0.9587000
  1 1 1      10   16   21 o    5.963000      0.2794000       6.499000 0.4016000       5.427000      0.3884000       1.073000      0.5587000
  1 1 1      10   16   22 o    9.536000      0.2586000       9.555000 0.3853000       9.518000      0.3450000      0.3738000E-01  0.5171000
  1 1 1      10   16   23 o    3.207000      0.4825000       3.558000 0.6876000       2.857000      0.6770000      0.7015000      0.9650000
  1 1 1      10   16   24 o    5.923000      0.3116000       5.935000 0.4765000       5.912000      0.4016000      0.2265000E-01  0.6231000
  1 1 1      10   16   25 o    3.671000      0.4771000       4.219000 0.6652000       3.123000      0.6841000       1.096000      0.9541000
  1 1 1      10   16   26 o    2.491000      0.5658000       2.381000 0.8300000       2.600000      0.7692000     -0.2195000       1.132000
  1 1 1      10   16   27 o    5.886000      0.4655000       5.522000 0.7372000       6.250000      0.5684000     -0.7288000      0.9309000
  1 1 1      10   16   28 o    2.825000      0.6929000       2.651000 1.021000       2.998000      0.9375000     -0.3471000       1.386000
  1 1 1      10   16   29 o    3.620000      0.6849000       4.140000 0.9861000       3.100000      0.9508000       1.040000       1.370000
  1 1 1      10   16   30 o    5.145000      0.3854000       4.939000 0.6063000       5.350000      0.4759000     -0.4118000      0.7708000
  1 1 1      10   16   31 o    2.728000      0.5673000       2.241000 0.8491000       3.215000      0.7526000     -0.9738000       1.135000
  1 1 1      10   16   32 o    2.999000      0.7283000       3.192000 1.130000       2.806000      0.9197000      0.3866000       1.457000
  1 1 1      10   16   33 o    5.040000      0.5809000       5.329000 0.8284000       4.751000      0.8144000      0.5778000       1.162000
  1 1 1      10   16   34 o    2.935000      0.5709000       2.591000 0.8259000       3.279000      0.7885000     -0.6879000       1.142000
  1 1 1      10   17    0 o    7.712000      0.1731000       7.791000 0.2396000       7.633000      0.2499000      0.1579000      0.3462000
  1 1 1      10   17    1 o    4.948000      0.1826000       4.794000 0.2581000       5.101000      0.2584000     -0.3066000      0.3652000
  1 1 1      10   17    2 f    1.908000      0.3525000       1.770000 0.5075000       2.047000      0.4892000     -0.2775000      0.7049000
  1 1 1      10   17    3 o    1.907000      0.3430000       1.991000 0.4630000       1.823000      0.5063000      0.1676000      0.6861000
  1 1 1      10   17    4 f    4.809000      0.2355000       4.988000 0.2207000       4.630000      0.4161000      0.3577000      0.4710000
  1 1 1      10   17    5 o    1.283000      0.3406000       1.531000 0.4935000       1.036000      0.4695000      0.4949000      0.6812000
  1 1 1      10   17    6 o    6.278000      0.1679000       6.302000 0.2167000       6.254000      0.2565000      0.4803000E-01  0.3358000
  1 1 1      10   17    7 f    9.417000      0.2542000       9.072000 0.2319000       9.761000      0.4524000     -0.6891000      0.5084000
  1 1 1      10   17    8 o    5.727000      0.2005000       6.130000 0.2638000       5.324000      0.3019000      0.8060000      0.4010000
  1 1 1      10   17    9 o    8.632000      0.2676000       8.632000 0.2676000                  ?              ?              ?              ?
  1 1 1      10   17   10 o    2.762000      0.4093000       2.711000 0.5905000       2.812000      0.5669000     -0.1008000      0.8186000
  1 1 1      10   17   11 o    8.390000      0.3247000                  ?       ?   8.390000      0.3247000                  ?              ?
  1 1 1      10   17   12 o    6.474000      0.2549000       6.515000 0.3795000       6.434000      0.3405000      0.8043000E-01  0.5099000
  1 1 1      10   17   13 o    5.378000      0.4288000       5.123000 0.7306000       5.634000      0.4490000     -0.5109000      0.8576000
  1 1 1      10   17   14 o    3.686000      0.6168000       3.890000 0.8934000       3.483000      0.8506000      0.4067000       1.234000
  1 1 1      10   17   15 o    8.404000      0.4792000       7.934000 0.8104000       8.874000      0.5117000     -0.9397000      0.9585000
  1 1 1      10   17   16 o    5.506000      0.3963000       5.720000 0.5292000       5.291000      0.5902000      0.4283000      0.7927000
  1 1 1      10   17   17 o    3.810000      0.4584000       3.691000 0.6514000       3.929000      0.6451000     -0.2383000      0.9167000
  1 1 1      10   17   18 o    4.351000      0.3794000       4.535000 0.5218000       4.168000      0.5507000      0.3666000      0.7587000
  1 1 1      10   17   19 o    6.262000      0.2804000       6.120000 0.4035000       6.403000      0.3894000     -0.2822000      0.5608000
  1 1 1      10   17   20 o    8.009000      0.2655000       8.307000 0.3914000       7.711000      0.3589000      0.5958000      0.5310000
  1 1 1      10   17   21 o    7.976000      0.2643000       7.872000 0.3939000       8.080000      0.3526000     -0.2080000      0.5286000
  1 1 1      10   17   22 o    1.924000      0.5300000       2.039000 0.7820000       1.809000      0.7157000      0.2296000       1.060000
  1 1 1      10   17   23 o    1.463000      0.4717000       1.734000 0.7502000       1.192000      0.5719000      0.5415000      0.9433000
  1 1 1      10   17   24 o    4.210000      0.9165000       4.449000 1.402000       3.972000       1.180000      0.4771000       1.833000
  1 1 1      10   17   25 o    8.059000      0.6574000       7.334000 1.113000       8.785000      0.7002000      -1.451000       1.315000
  1 1 1      10   17   26 o    4.396000      0.8093000       4.429000 1.233000       4.363000       1.048000      0.6688000E-01   1.619000
  1 1 1      10   17   27 o    3.866000      0.5042000       3.456000 0.8410000       4.275000      0.5564000     -0.8194000       1.008000
  1 1 1      10   17   28 o    2.820000      0.5873000       3.196000 0.8693000       2.445000      0.7899000      0.7512000       1.175000
  1 1 1      10   17   29 o    5.969000      0.4260000       6.549000 0.7271000       5.390000      0.4441000       1.159000      0.8520000
  1 1 1      10   17   30 o    2.862000      0.7036000       2.982000 1.058000       2.742000      0.9276000      0.2393000       1.407000
  1 1 1      10   17   31 o    2.594000      0.7048000       2.566000 1.039000       2.622000      0.9523000     -0.5625000E-01   1.410000
  1 1 1      10   17   32 o    5.145000      0.4115000       5.008000 0.6327000       5.282000      0.5263000     -0.2739000      0.8229000
  1 1 1      10   17   33 o    5.758000      0.3902000       5.438000 0.5968000       6.079000      0.5028000     -0.6409000      0.7804000
  1 1 1      10   17   34 o    2.380000      0.5998000       2.585000 0.8513000       2.175000      0.8451000      0.4099000       1.200000
  1 1 1      10   18    0 f    3.173000      0.2646000       3.195000 0.3887000       3.152000      0.3590000      0.4250000E-01  0.5291000
  1 1 1      10   18    1 o    5.749000      0.1740000       5.710000 0.2498000       5.788000      0.2422000     -0.7891000E-01  0.3479000
  1 1 1      10   18    2 o    6.251000      0.1650000       6.255000 0.2269000       6.247000      0.2396000      0.7568000E-02  0.3300000
  1 1 1      10   18    3 o    9.024000      0.1673000       8.989000 0.2293000       9.060000      0.2438000     -0.7076000E-01  0.3347000
  1 1 1      10   18    4 o    4.635000      0.1841000       4.776000 0.2469000       4.494000      0.2731000      0.2827000      0.3682000
  1 1 1      10   18    5 o    5.764000      0.1726000       5.723000 0.2262000       5.805000      0.2607000     -0.8211000E-01  0.3452000
  1 1 1      10   18    6 o    8.138000      0.1699000       8.339000 0.2279000       7.937000      0.2520000      0.4018000      0.3397000
  1 1 1      10   18    7 o    3.318000      0.2714000       3.200000 0.3581000       3.436000      0.4080000     -0.2360000      0.5429000
  1 1 1      10   18    8 o    2.192000      0.4004000       1.835000 0.5664000       2.549000      0.5661000     -0.7141000      0.8007000
  1 1 1      10   18    9 o    5.609000      0.2087000       6.168000 0.3041000       5.050000      0.2860000       1.118000      0.4175000
  1 1 1      10   18   10 o    5.222000      0.2745000       5.510000 0.3975000       4.935000      0.3785000      0.5751000      0.5489000
  1 1 1      10   18   11 o    4.593000      0.3847000                  ?       ?   4.593000      0.3847000                  ?              ?
  1 1 1      10   18   12 o    6.395000      0.2912000       6.315000 0.4602000       6.475000      0.3569000     -0.1600000      0.5824000
  1 1 1      10   18   13 o    8.435000      0.3465000       8.199000 0.5370000       8.670000      0.4380000     -0.4716000      0.6929000
  1 1 1      10   18   14 f    3.235000      0.6512000       2.724000 0.9788000       3.747000      0.8592000      -1.023000       1.302000
  1 1 1      10   18   15 o    8.203000      0.3363000       8.037000 0.4912000       8.369000      0.4593000     -0.3319000      0.6725000
  1 1 1      10   18   16 o    3.234000      0.6501000       3.121000 0.9176000       3.347000      0.9210000     -0.2263000       1.300000
  1 1 1      10   18   17 o    5.397000      0.3576000       5.601000 0.4679000       5.192000      0.5411000      0.4089000      0.7153000
  1 1 1      10   18   18 o    2.972000      0.5623000       2.371000 0.8418000       3.574000      0.7457000      -1.203000       1.125000
  1 1 1      10   18   19 o    5.692000       1.242000       8.017000 2.074000       3.368000       1.368000       4.649000       2.485000
  1 1 1      10   18   20 o    3.666000       1.053000       3.446000 1.575000       3.886000       1.398000     -0.4405000       2.106000
  1 1 1      10   18   21 o    2.481000      0.8637000       2.862000 1.385000       2.101000       1.033000      0.7617000       1.727000
  1 1 1      10   18   22 o    3.412000      0.9602000       3.508000 1.337000       3.317000       1.379000      0.1903000       1.920000
  1 1 1      10   18   23 o    2.275000      0.5018000       1.515000 0.6910000       3.034000      0.7279000      -1.520000       1.004000
  1 1 1      10   18   24 o    9.702000      0.2852000       10.30000 0.4414000       9.109000      0.3613000       1.187000      0.5705000
  1 1 1      10   18   25 o    4.953000      0.3887000       4.738000 0.6256000       5.169000      0.4614000     -0.4316000      0.7773000
  1 1 1      10   18   26 o    5.681000      0.5477000       4.680000 1.022000       6.682000      0.3930000      -2.002000       1.095000
  1 1 1      10   18   27 o    2.904000      0.6632000       3.247000 0.9863000       2.561000      0.8867000      0.6865000       1.326000
  1 1 1      10   18   28 o    1.859000      0.5866000       1.773000 0.8329000       1.945000      0.8262000     -0.1725000       1.173000
  1 1 1      10   18   29 o    4.620000      0.4621000       4.269000 0.7494000       4.972000      0.5408000     -0.7024000      0.9242000
  1 1 1      10   18   30 o    1.892000      0.5718000       2.111000 0.8697000       1.674000      0.7426000      0.4374000       1.144000
  1 1 1      10   18   31 o    1.949000      0.5641000       1.553000 0.7344000       2.344000      0.8565000     -0.7902000       1.128000
  1 1 1      10   18   32 o    4.900000      0.4646000       4.383000 0.7486000       5.416000      0.5503000      -1.033000      0.9292000
  1 1 1      10   18   33 o    2.425000      0.6261000       2.150000 0.8684000       2.701000      0.9021000     -0.5505000       1.252000
  1 1 1      10   19    0 o    3.565000      0.4046000       3.066000 0.5698000       4.063000      0.5747000     -0.9970000      0.8093000
  1 1 1      10   19    1 o    5.389000      0.2853000       5.335000 0.3598000       5.444000      0.4429000     -0.1089000      0.5706000
  1 1 1      10   19    2 o    7.652000      0.2441000       7.441000 0.3238000       7.863000      0.3655000     -0.4215000      0.4883000
  1 1 1      10   19    3 f    6.903000      0.2452000       6.906000 0.3137000       6.901000      0.3770000      0.5336000E-02  0.4905000
  1 1 1      10   19    4 o    7.369000      0.2038000       7.445000 0.2261000       7.293000      0.3391000      0.1517000      0.4076000
  1 1 1      10   19    5 o    10.40000      0.1833000       10.44000 0.2474000       10.36000      0.2706000      0.7984000E-01  0.3667000
  1 1 1      10   19    6 o    5.586000      0.1942000       5.635000 0.2444000       5.537000      0.3019000      0.9798000E-01  0.3884000
  1 1 1      10   19    7 o    5.947000      0.2121000       6.125000 0.2792000       5.770000      0.3193000      0.3548000      0.4241000
  1 1 1      10   19    8 o    9.582000      0.2189000       9.371000 0.2808000       9.793000      0.3358000     -0.4225000      0.4377000
  1 1 1      10   19    9 o    6.211000      0.2252000       6.485000 0.3006000       5.938000      0.3355000      0.5470000      0.4504000
  1 1 1      10   19   10 o    3.805000      0.3612000       3.998000 0.5400000       3.613000      0.4797000      0.3852000      0.7223000
  1 1 1      10   19   11 o    3.240000      0.4671000       2.804000 0.7925000       3.675000      0.4947000     -0.8714000      0.9342000
  1 1 1      10   19   12 o    3.908000      0.5051000       4.296000 0.7322000       3.520000      0.6959000      0.7752000       1.010000
  1 1 1      10   19   13 o    3.382000      0.7527000       4.230000 1.183000       2.534000      0.9309000       1.696000       1.505000
  1 1 1      10   19   14 o    7.060000      0.6775000       7.156000 1.213000       6.964000      0.6039000      0.1920000       1.355000
  1 1 1      10   19   15 o    3.041000      0.8867000       3.598000 1.458000       2.484000       1.009000       1.114000       1.773000
  1 1 1      10   19   16 o    5.251000       1.182000       5.317000 2.021000       5.185000       1.224000      0.1318000       2.363000
  1 1 1      10   19   17 o    4.557000       1.186000       4.278000 1.918000       4.836000       1.395000     -0.5587000       2.371000
  1 1 1      10   19   18 o    4.139000      0.4860000       4.293000 0.6066000       3.985000      0.7595000      0.3078000      0.9720000
  1 1 1      10   19   19 f    1.866000      0.5068000       1.297000 0.6223000       2.435000      0.8001000      -1.138000       1.014000
  1 1 1      10   19   20 o    6.939000      0.2916000       6.778000 0.4290000       7.100000      0.3952000     -0.3226000      0.5833000
  1 1 1      10   19   21 o    6.188000      0.3146000       6.082000 0.4679000       6.295000      0.4206000     -0.2131000      0.6291000
  1 1 1      10   19   22 o    8.019000      0.2947000       7.994000 0.4316000       8.044000      0.4012000     -0.5021000E-01  0.5893000
  1 1 1      10   19   23 o    4.463000      0.4403000       5.485000 0.5581000       3.440000      0.6813000       2.046000      0.8807000
  1 1 1      10   19   24 f    5.280000      0.4001000       5.659000 0.5965000       4.901000      0.5333000      0.7584000      0.8002000
  1 1 1      10   19   25 o    3.582000      0.5573000       3.213000 0.9086000       3.950000      0.6456000     -0.7366000       1.115000
  1 1 1      10   19   26 o    6.709000      0.3586000       6.349000 0.5370000       7.069000      0.4753000     -0.7200000      0.7171000
  1 1 1      10   19   27 o    4.781000      0.4601000       4.870000 0.7111000       4.692000      0.5840000      0.1778000      0.9202000
  1 1 1      10   19   28 o    2.796000      0.6271000       2.645000 0.9407000       2.946000      0.8295000     -0.3010000       1.254000
  1 1 1      10   19   29 o    3.321000      0.6000000       2.620000 0.9496000       4.023000      0.7338000      -1.403000       1.200000
  1 1 1      10   19   30 o    2.880000      0.6337000       2.897000 0.9369000       2.864000      0.8535000      0.3316000E-01   1.267000
  1 1 1      10   19   31 o    1.489000      0.4964000       1.301000 0.6434000       1.676000      0.7562000     -0.3741000      0.9929000
  1 1 1      10   19   32 o    3.291000      0.5934000       4.028000 0.7873000       2.553000      0.8880000       1.474000       1.187000
  1 1 1      10   19   33 o    2.681000      0.6839000       2.558000 1.008000       2.803000      0.9243000     -0.2452000       1.368000
  1 1 1      10   20    0 o    5.272000      0.1954000       5.266000 0.2813000       5.278000      0.2712000     -0.1242000E-01  0.3907000
  1 1 1      10   20    1 o    2.910000      0.2940000       3.446000 0.3090000       2.374000      0.5002000       1.071000      0.5879000
  1 1 1      10   20    2 o    6.134000      0.1714000       5.932000 0.2401000       6.336000      0.2446000     -0.4040000      0.3427000
  1 1 1      10   20    3 o    4.227000      0.2179000       4.068000 0.2936000       4.387000      0.3220000     -0.3193000      0.4357000
  1 1 1      10   20    4 f    2.522000      0.3524000       2.571000 0.4382000       2.472000      0.5521000      0.9917000E-01  0.7049000
  1 1 1      10   20    5 o    6.320000      0.1905000       6.514000 0.2380000       6.126000      0.2975000      0.3883000      0.3810000
  1 1 1      10   20    6 o    6.286000      0.2042000       5.944000 0.2678000       6.627000      0.3084000     -0.6824000      0.4084000
  1 1 1      10   20    7 o    2.190000      0.4264000       1.939000 0.6025000       2.441000      0.6036000     -0.5028000      0.8528000
  1 1 1      10   20    8 f    2.312000      0.4157000       1.960000 0.5928000       2.663000      0.5829000     -0.7034000      0.8313000
  1 1 1      10   20    9 o    5.401000      0.2640000       5.556000 0.3692000       5.247000      0.3774000      0.3089000      0.5279000
  1 1 1      10   20   10 o    5.788000      0.2871000       6.028000 0.4145000       5.548000      0.3974000      0.4801000      0.5743000
  1 1 1      10   20   11 o    4.249000      0.4039000       4.186000 0.6018000       4.313000      0.5388000     -0.1273000      0.8077000
  1 1 1      10   20   12 o    5.743000      0.8582000       7.563000 0.4937000       3.923000       1.644000       3.641000       1.716000
  1 1 1      10   20   13 o    9.915000      0.3771000       9.406000 0.5839000       10.42000      0.4774000      -1.019000      0.7542000
  1 1 1      10   20   14 o    6.077000      0.4741000       5.674000 0.7202000       6.481000      0.6166000     -0.8067000      0.9481000
  1 1 1      10   20   15 o    3.004000      0.7192000       2.747000 1.025000       3.262000       1.009000     -0.5146000       1.438000
  1 1 1      10   20   16 o    6.866000      0.4417000       7.581000 0.5372000       6.150000      0.7013000       1.431000      0.8834000
  1 1 1      10   20   17 o    8.671000      0.3176000       9.187000 0.4403000       8.155000      0.4578000       1.032000      0.6352000
  1 1 1      10   20   18 o    4.737000      0.5173000       4.751000 0.6687000       4.722000      0.7895000      0.2961000E-01   1.035000
  1 1 1      10   20   19 o    3.647000      0.5574000       4.441000 0.6992000       2.854000      0.8682000       1.587000       1.115000
  1 1 1      10   20   20 f    4.096000      0.4580000       4.179000 0.6477000       4.014000      0.6477000      0.1656000      0.9160000
  1 1 1      10   20   21 o    3.281000      0.5791000       3.353000 0.8259000       3.209000      0.8121000      0.1435000       1.158000
  1 1 1      10   20   22 o    2.243000      0.5664000       2.319000 0.8133000       2.167000      0.7886000      0.1527000       1.133000
  1 1 1      10   20   23 o    4.720000      0.3969000       4.679000 0.5928000       4.760000      0.5280000     -0.8191000E-01  0.7939000
  1 1 1      10   20   24 o    5.484000      0.4010000       5.535000 0.6377000       5.433000      0.4864000      0.1015000      0.8020000
  1 1 1      10   20   25 o    3.100000      0.5854000       2.694000 0.9118000       3.507000      0.7343000     -0.8132000       1.171000
  1 1 1      10   20   26 o    4.947000      0.4453000       4.959000 0.7013000       4.935000      0.5488000      0.2362000E-01  0.8905000
  1 1 1      10   20   27 o    2.858000      0.6448000       3.168000 0.9561000       2.547000      0.8655000      0.6216000       1.290000
  1 1 1      10   20   28 f    3.013000      0.6479000       3.043000 0.9747000       2.983000      0.8540000      0.6002000E-01   1.296000
  1 1 1      10   20   29 o    2.137000      0.6203000       2.311000 0.9343000       1.964000      0.8163000      0.3466000       1.241000
  1 1 1      10   20   30 o    2.588000      0.6508000       2.989000 0.9660000       2.188000      0.8724000      0.8010000       1.302000
  1 1 1      10   20   31 o    3.983000      0.5683000       4.850000 0.7033000       3.116000      0.8927000       1.734000       1.137000
  1 1 1      10   20   32 o    2.874000      0.6558000       2.833000 0.9261000       2.916000      0.9289000     -0.8209000E-01   1.312000
  1 1 1      10   21    0 o    4.496000      0.2636000       4.816000 0.3761000       4.175000      0.3695000      0.6411000      0.5272000
  1 1 1      10   21    1 o    4.048000      0.2615000       4.076000 0.3828000       4.019000      0.3564000      0.5688000E-01  0.5230000
  1 1 1      10   21    2 o    7.106000      0.2289000       7.102000 0.3193000       7.109000      0.3281000     -0.7339000E-02  0.4579000
  1 1 1      10   21    3 o    10.01000      0.2688000       9.723000 0.3617000       10.29000      0.3978000     -0.5648000      0.5377000
  1 1 1      10   21    4 o    6.864000      0.2818000       7.098000 0.3691000       6.630000      0.4259000      0.4680000      0.5636000
  1 1 1      10   21    5 o    3.737000      0.5339000       3.110000 0.7129000       4.364000      0.7949000      -1.254000       1.068000
  1 1 1      10   21    6 o    5.352000      0.6733000       5.378000 0.6532000       5.326000       1.178000      0.5181000E-01   1.347000
  1 1 1      10   21    7 o    6.153000      0.7140000       7.350000 0.5445000       4.956000       1.320000       2.394000       1.428000
  1 1 1      10   21    8 o    8.483000      0.7600000       8.142000 0.7115000       8.824000       1.343000     -0.6822000       1.520000
  1 1 1      10   21    9 o    6.527000       1.034000       8.447000 0.8349000       4.607000       1.892000       3.840000       2.068000
  1 1 1      10   21   10 o    4.687000       1.424000       4.687000 1.424000                  ?              ?              ?              ?
  1 1 1      10   21   11 o    3.718000       1.117000       2.715000 1.255000       4.722000       1.849000      -2.007000       2.234000
  1 1 1      10   21   12 o    6.492000       1.922000                  ?       ?   6.492000       1.922000                  ?              ?
  1 1 1      10   21   13 o    4.977000       1.190000       3.761000 1.345000       6.193000       1.963000      -2.432000       2.380000
  1 1 1      10   21   14 o    4.366000      0.9819000       4.086000 1.106000       4.645000       1.623000     -0.5585000       1.964000
  1 1 1      10   21   15 o    3.468000      0.8632000       3.980000 1.120000       2.957000       1.314000       1.023000       1.726000
  1 1 1      10   21   16 o    5.260000      0.7260000       5.664000 0.8061000       4.856000       1.208000      0.8078000       1.452000
  1 1 1      10   21   17 o    8.893000      0.3343000       9.105000 0.4785000       8.680000      0.4670000      0.4250000      0.6686000
  1 1 1      10   21   18 o    7.558000      0.3758000       7.861000 0.4830000       7.255000      0.5758000      0.6058000      0.7515000
  1 1 1      10   21   19 o    6.561000      0.3670000       7.139000 0.4931000       5.983000      0.5437000       1.156000      0.7340000
  1 1 1      10   21   20 o    5.436000      0.3806000       5.242000 0.5667000       5.631000      0.5083000     -0.3889000      0.7613000
  1 1 1      10   21   21 o    2.762000      0.5759000       2.542000 0.8397000       2.982000      0.7883000     -0.4394000       1.152000
  1 1 1      10   21   22 o    3.746000      0.5022000       3.816000 0.7308000       3.677000      0.6890000      0.1385000       1.004000
  1 1 1      10   21   23 o    3.974000      0.4931000       4.129000 0.7254000       3.820000      0.6680000      0.3090000      0.9861000
  1 1 1      10   21   24 o    3.996000      0.5130000       3.789000 0.7943000       4.204000      0.6494000     -0.4149000       1.026000
  1 1 1      10   21   25 o    3.335000      0.5943000       3.369000 0.9007000       3.302000      0.7758000      0.6673000E-01   1.189000
  1 1 1      10   21   26 o    3.230000      0.6399000       3.479000 0.9606000       2.981000      0.8458000      0.4982000       1.280000
  1 1 1      10   21   27 o    2.848000      0.6564000       2.888000 0.9591000       2.808000      0.8963000      0.8063000E-01   1.313000
  1 1 1      10   21   28 o    3.089000      0.6606000       3.324000 0.9665000       2.854000      0.9007000      0.4695000       1.321000
  1 1 1      10   21   29 o    3.222000      0.6649000       3.143000 1.003000       3.302000      0.8730000     -0.1588000       1.330000
  1 1 1      10   21   30 o    2.433000      0.6701000       2.327000 0.9664000       2.539000      0.9287000     -0.2124000       1.340000
  1 1 1      10   21   31 o    5.173000      0.5107000       4.801000 0.8032000       5.545000      0.6309000     -0.7440000       1.021000
  1 1 1      10   22    0 o    5.452000      0.2002000       5.688000 0.2583000       5.216000      0.3059000      0.4714000      0.4004000
  1 1 1      10   22    1 o    5.671000      0.2082000       5.982000 0.2677000       5.359000      0.3190000      0.6232000      0.4165000
  1 1 1      10   22    2 o    6.495000      0.1990000       6.116000 0.2717000       6.874000      0.2909000     -0.7587000      0.3981000
  1 1 1      10   22    3 o    2.456000      0.4248000       2.361000 0.5600000       2.552000      0.6390000     -0.1912000      0.8497000
  1 1 1      10   22    4 o    9.005000      0.1945000       8.931000 0.2571000       9.080000      0.2918000     -0.1493000      0.3889000
  1 1 1      10   22    5 o    13.97000      0.3522000       13.09000 0.3088000       14.86000      0.6330000      -1.773000      0.7043000
  1 1 1      10   22    6 o    11.52000      0.2313000       11.75000 0.3058000       11.30000      0.3472000      0.4483000      0.4626000
  1 1 1      10   22    7 o    6.896000      0.2322000       6.887000 0.3136000       6.906000      0.3425000     -0.1854000E-01  0.4644000
  1 1 1      10   22    8 o    10.98000      0.2482000       11.13000 0.3335000       10.83000      0.3678000      0.2974000      0.4965000
  1 1 1      10   22    9 o    5.654000      0.3182000       5.741000 0.4275000       5.567000      0.4715000      0.1743000      0.6364000
  1 1 1      10   22   11 o    5.597000      0.3642000       5.830000 0.5428000       5.364000      0.4859000      0.4665000      0.7285000
  1 1 1      10   22   12 o    7.183000      0.4657000                  ?       ?   7.183000      0.4657000                  ?              ?
  1 1 1      10   22   13 o    6.506000      0.5769000       5.444000 1.008000       7.569000      0.5605000      -2.126000       1.154000
  1 1 1      10   22   14 o    4.534000      0.6762000       4.544000 1.051000       4.525000      0.8507000      0.1925000E-01   1.352000
  1 1 1      10   22   15 o    3.259000      0.7507000       3.878000 1.087000       2.639000       1.035000       1.239000       1.501000
  1 1 1      10   22   16 o    3.760000      0.7286000       2.997000 1.061000       4.523000      0.9992000      -1.526000       1.457000
  1 1 1      10   22   17 o    8.491000      0.3535000       8.983000 0.4900000       7.998000      0.5096000      0.9852000      0.7070000
  1 1 1      10   22   18 o    5.738000      0.4290000       5.889000 0.5511000       5.587000      0.6577000      0.3021000      0.8580000
  1 1 1      10   22   19 o    8.131000      0.3405000       8.505000 0.4959000       7.757000      0.4669000      0.7477000      0.6811000
  1 1 1      10   22   20 o    4.735000      0.4291000       4.489000 0.6392000       4.982000      0.5727000     -0.4934000      0.8582000
  1 1 1      10   22   21 o    1.822000      0.5527000       1.896000 0.8071000       1.748000      0.7555000      0.1486000       1.105000
  1 1 1      10   22   22 o    1.756000      0.5434000       2.054000 0.8407000       1.457000      0.6886000      0.5972000       1.087000
  1 1 1      10   22   23 o    4.023000      0.5029000       3.578000 0.8157000       4.467000      0.5886000     -0.8891000       1.006000
  1 1 1      10   22   24 o    4.564000      0.4607000       4.659000 0.6902000       4.469000      0.6104000      0.1906000      0.9214000
  1 1 1      10   22   25 o    7.502000      0.3712000       7.865000 0.5687000       7.139000      0.4773000      0.7255000      0.7425000
  1 1 1      10   22   26 o    2.167000      0.6034000       1.622000 0.7734000       2.712000      0.9265000      -1.090000       1.207000
  1 1 1      10   22   27 o    2.766000      0.6392000       3.565000 0.9643000       1.968000      0.8392000       1.596000       1.278000
  1 1 1      10   22   28 o    2.720000      0.6803000       2.906000 0.9978000       2.534000      0.9252000      0.3720000       1.361000
  1 1 1      10   22   29 o    2.226000      0.6636000       2.003000 0.9010000       2.449000      0.9746000     -0.4457000       1.327000
  1 1 1      10   22   30 o    2.684000      0.6580000       3.563000 1.032000       1.804000      0.8160000       1.759000       1.316000
  1 1 1      10   22   31 o    2.323000      0.6532000       1.920000 0.8723000       2.726000      0.9726000     -0.8055000       1.306000
  1 1 1      10   23    0 o    4.510000      0.2447000       4.806000 0.3210000       4.214000      0.3694000      0.5919000      0.4894000
  1 1 1      10   23    1 o    7.334000      0.2039000       7.044000 0.2677000       7.623000      0.3078000     -0.5796000      0.4079000
  1 1 1      10   23    2 o    3.714000      0.3024000       3.589000 0.3973000       3.840000      0.4562000     -0.2515000      0.6049000
  1 1 1      10   23    3 o    3.270000      0.3445000       3.437000 0.3986000       3.104000      0.5620000      0.3323000      0.6890000
  1 1 1      10   23    4 o    10.73000      0.2128000       10.73000 0.2832000       10.73000      0.3176000     -0.7123000E-02  0.4255000
  1 1 1      10   23    5 o    8.517000      0.2239000       8.190000 0.2930000       8.843000      0.3387000     -0.6528000      0.4479000
  1 1 1      10   23    6 o    2.522000      0.4412000       2.339000 0.6213000       2.705000      0.6267000     -0.3658000      0.8825000
  1 1 1      10   23    7 o    4.134000      0.3122000       4.483000 0.3750000       3.784000      0.4994000      0.6996000      0.6245000
  1 1 1      10   23    8 o    3.945000      0.3902000       3.997000 0.4707000       3.894000      0.6226000      0.1029000      0.7805000
  1 1 1      10   23    9 o    3.879000      0.4837000       4.009000 0.6908000       3.749000      0.6773000      0.2594000      0.9674000
  1 1 1      10   23   10 o    2.814000      0.6956000       2.707000 1.217000       2.921000      0.6734000     -0.2149000       1.391000
  1 1 1      10   23   11 o    4.243000      0.5038000       4.663000 0.6920000       3.822000      0.7325000      0.8402000       1.008000
  1 1 1      10   23   12 o    5.410000      0.5953000                  ?       ?   5.410000      0.5953000                  ?              ?
  1 1 1      10   23   13 o    4.819000      0.7013000       4.384000 1.167000       5.254000      0.7784000     -0.8705000       1.403000
  1 1 1      10   23   14 f    4.201000      0.7152000       3.946000 1.092000       4.456000      0.9242000     -0.5102000       1.430000
  1 1 1      10   23   15 o    2.222000      0.6935000       2.350000 1.015000       2.095000      0.9454000      0.2545000       1.387000
  1 1 1      10   23   16 o    8.418000      0.4495000       8.833000 0.6493000       8.004000      0.6219000      0.8291000      0.8991000
  1 1 1      10   23   17 o    6.342000      0.4242000       6.542000 0.5400000       6.142000      0.6545000      0.3991000      0.8485000
  1 1 1      10   23   18 o    2.552000      0.6624000       2.598000 0.9134000       2.506000      0.9595000      0.9157000E-01   1.325000
  1 1 1      10   23   19 o    4.612000      0.5270000       4.149000 0.7988000       5.075000      0.6877000     -0.9262000       1.054000
  1 1 1      10   23   20 f    4.279000      0.4830000       4.006000 0.7176000       4.552000      0.6468000     -0.5454000      0.9661000
  1 1 1      10   23   21 o    2.018000      0.5907000       2.148000 0.8769000       1.889000      0.7918000      0.2590000       1.181000
  1 1 1      10   23   22 o    3.613000      0.5836000       4.400000 0.7253000       2.826000      0.9146000       1.574000       1.167000
  1 1 1      10   23   23 o    2.123000      0.5947000       2.332000 0.8879000       1.913000      0.7914000      0.4190000       1.189000
  1 1 1      10   23   24 o    3.049000      0.6135000       2.614000 0.9406000       3.484000      0.7880000     -0.8693000       1.227000
  1 1 1      10   23   25 o    4.198000      0.5720000       4.107000 0.8824000       4.289000      0.7283000     -0.1818000       1.144000
  1 1 1      10   23   26 o    2.611000      0.6861000       2.842000 1.026000       2.380000      0.9108000      0.4614000       1.372000
  1 1 1      10   23   27 o    2.515000      0.6970000       2.461000 1.011000       2.570000      0.9598000     -0.1086000       1.394000
  1 1 1      10   23   28 o    4.248000      0.6352000       3.427000 1.064000       5.070000      0.6941000      -1.642000       1.270000
  1 1 1      10   23   29 o    3.218000      0.6474000       4.331000 0.9393000       2.105000      0.8911000       2.226000       1.295000
  1 1 1      10   23   30 o    2.960000      0.6408000       4.091000 0.9760000       1.828000      0.8305000       2.262000       1.282000
  1 1 1      10   24    0 o    5.702000      0.2306000       5.729000 0.2995000       5.675000      0.3507000      0.5417000E-01  0.4612000
  1 1 1      10   24    1 o    5.983000      0.2366000       5.621000 0.3213000       6.346000      0.3475000     -0.7254000      0.4733000
  1 1 1      10   24    2 o    6.084000      0.2245000       6.137000 0.2882000       6.031000      0.3444000      0.1056000      0.4491000
  1 1 1      10   24    3 o    2.368000      0.4907000       2.103000 0.6553000       2.633000      0.7305000     -0.5299000      0.9814000
  1 1 1      10   24    4 o    2.182000      0.5089000       1.611000 0.6518000       2.753000      0.7817000      -1.142000       1.018000
  1 1 1      10   24    5 o    7.241000      0.2478000       7.853000 0.3087000       6.628000      0.3876000       1.225000      0.4955000
  1 1 1      10   24    6 o    3.894000      0.3717000       3.739000 0.5136000       4.049000      0.5376000     -0.3093000      0.7435000
  1 1 1      10   24    7 o    4.878000      0.3310000       4.852000 0.4578000       4.904000      0.4782000     -0.5246000E-01  0.6620000
  1 1 1      10   24    8 o    7.883000      0.2617000       7.976000 0.3653000       7.789000      0.3747000      0.1861000      0.5233000
  1 1 1      10   24    9 f    10.62000      0.3029000       10.98000 0.4398000       10.26000      0.4167000      0.7197000      0.6058000
  1 1 1      10   24   10 o    9.656000      0.2999000       9.369000 0.4402000       9.943000      0.4076000     -0.5731000      0.5999000
  1 1 1      10   24   11 o    4.385000      0.5255000       4.473000 0.7684000       4.298000      0.7170000      0.1746000       1.051000
  1 1 1      10   24   12 o    1.764000      0.5712000       1.692000 0.7942000       1.836000      0.8212000     -0.1437000       1.142000
  1 1 1      10   24   13 o    7.045000      0.5167000       6.894000 0.8070000       7.196000      0.6456000     -0.3021000       1.033000
  1 1 1      10   24   14 o    2.517000      0.7410000       2.839000 1.117000       2.195000      0.9740000      0.6437000       1.482000
  1 1 1      10   24   15 o    3.294000      0.7603000       2.911000 1.082000       3.677000       1.068000     -0.7661000       1.521000
  1 1 1      10   24   16 o    6.438000      0.4746000       6.534000 0.6788000       6.342000      0.6634000      0.1915000      0.9491000
  1 1 1      10   24   17 o    4.300000      0.6316000       3.505000 0.9719000       5.095000      0.8069000      -1.591000       1.263000
  1 1 1      10   24   18 o    2.535000      0.6719000       2.199000 0.9115000       2.871000      0.9874000     -0.6724000       1.344000
  1 1 1      10   24   19 o    2.290000      0.6465000       1.997000 0.8666000       2.583000      0.9596000     -0.5858000       1.293000
  1 1 1      10   24   20 o    5.036000      0.4645000       4.823000 0.6943000       5.249000      0.6174000     -0.4263000      0.9291000
  1 1 1      10   24   21 o    3.041000      0.6423000       2.793000 0.9377000       3.290000      0.8780000     -0.4975000       1.285000
  1 1 1      10   24   22 o    6.528000      0.4252000       7.005000 0.5789000       6.051000      0.6229000      0.9538000      0.8504000
  1 1 1      10   24   23 o    2.413000      0.6445000       2.352000 0.9168000       2.473000      0.9060000     -0.1207000       1.289000
  1 1 1      10   24   24 o    3.394000      0.6484000       3.674000 0.9359000       3.114000      0.8977000      0.5601000       1.297000
  1 1 1      10   24   25 o    2.136000      0.6208000       1.845000 0.8454000       2.427000      0.9092000     -0.5828000       1.242000
  1 1 1      10   24   26 o    3.783000      0.6853000       3.063000 1.060000       4.504000      0.8693000      -1.441000       1.371000
  1 1 1      10   24   27 o    3.538000      0.6242000       2.368000 0.9765000       4.707000      0.7780000      -2.339000       1.248000
  1 1 1      10   24   28 o    3.632000      0.7412000       4.096000 1.018000       3.167000       1.078000      0.9291000       1.482000
  1 1 1      10   24   29 f    3.040000      0.7175000       3.182000 1.057000       2.899000      0.9707000      0.2828000       1.435000
  1 1 1      10   25    0 o    6.406000      0.2388000       6.303000 0.3058000       6.509000      0.3669000     -0.2059000      0.4776000
  1 1 1      10   25    1 o    2.997000      0.4397000       2.762000 0.5836000       3.232000      0.6578000     -0.4696000      0.8794000
  1 1 1      10   25    2 o    6.429000      0.2360000       6.373000 0.3031000       6.485000      0.3618000     -0.1127000      0.4720000
  1 1 1      10   25    3 o    1.971000      0.5136000       1.446000 0.6199000       2.496000      0.8192000      -1.050000       1.027000
  1 1 1      10   25    4 o    3.563000      0.4355000       2.772000 0.6603000       4.354000      0.5681000      -1.582000      0.8711000
  1 1 1      10   25    5 o    7.134000      0.2599000       7.466000 0.3224000       6.803000      0.4077000      0.6637000      0.5198000
  1 1 1      10   25    6 o    2.957000      0.4771000       3.700000 0.5488000       2.214000      0.7807000       1.486000      0.9543000
  1 1 1      10   25    7 o    4.085000      0.4016000       4.493000 0.4607000       3.676000      0.6580000      0.8171000      0.8032000
  1 1 1      10   25    8 o    7.273000      0.2887000       7.190000 0.4080000       7.356000      0.4086000     -0.1658000      0.5775000
  1 1 1      10   25    9 o    6.753000      0.3302000       6.616000 0.4625000       6.890000      0.4715000     -0.2733000      0.6604000
  1 1 1      10   25   10 o    2.196000      0.5753000       2.930000 0.9210000       1.462000      0.6897000       1.468000       1.151000
  1 1 1      10   25   11 o    8.383000      0.3447000       8.598000 0.4752000       8.168000      0.4993000      0.4300000      0.6893000
  1 1 1      10   25   12 o    7.123000      0.3941000       6.972000 0.5768000       7.275000      0.5373000     -0.3027000      0.7883000
  1 1 1      10   25   13 f    2.455000      0.7112000       2.361000 1.039000       2.549000      0.9713000     -0.1882000       1.422000
  1 1 1      10   25   14 o    2.861000      0.7745000       3.101000 1.142000       2.621000       1.046000      0.4800000       1.549000
  1 1 1      10   25   15 o    2.726000      0.7684000       2.696000 1.096000       2.756000       1.078000     -0.5913000E-01   1.537000
  1 1 1      10   25   16 o    3.104000      0.7322000       3.977000 1.085000       2.232000      0.9835000       1.745000       1.464000
  1 1 1      10   25   17 o    2.783000      0.7023000       2.273000 0.9415000       3.293000       1.042000      -1.021000       1.405000
  1 1 1      10   25   18 o    5.366000      0.5182000       4.721000 0.8019000       6.012000      0.6567000      -1.291000       1.036000
  1 1 1      10   25   19 o    2.783000      0.6862000       3.251000 0.9814000       2.314000      0.9592000      0.9362000       1.372000
  1 1 1      10   25   20 o    2.905000      0.6979000       2.762000 0.9962000       3.049000      0.9775000     -0.2877000       1.396000
  1 1 1      10   25   21 o    4.141000      0.5828000       3.778000 0.9166000       4.503000      0.7200000     -0.7242000       1.166000
  1 1 1      10   25   22 f    3.892000      0.6050000       4.938000 0.7594000       2.847000      0.9419000       2.091000       1.210000
  1 1 1      10   25   23 o    2.295000      0.6057000       3.223000 1.008000       1.367000      0.6714000       1.855000       1.211000
  1 1 1      10   25   24 o    3.276000      0.6851000       3.271000 1.005000       3.281000      0.9309000     -0.9931000E-02   1.370000
  1 1 1      10   25   25 o    3.391000      0.6988000       3.263000 1.038000       3.519000      0.9361000     -0.2559000       1.398000
  1 1 1      10   25   26 o    2.998000      0.7145000       3.479000 1.049000       2.517000      0.9699000      0.9620000       1.429000
  1 1 1      10   25   27 o    1.859000      0.6031000       1.905000 0.8786000       1.813000      0.8266000      0.9243000E-01   1.206000
  1 1 1      10   25   28 o    2.461000      0.8160000       2.443000 1.152000       2.478000       1.156000     -0.3413000E-01   1.632000
  1 1 1      10   26    0 o    7.807000      0.2279000       7.564000 0.2955000       8.049000      0.3470000     -0.4848000      0.4558000
  1 1 1      10   26    1 o    1.417000      0.4480000       1.314000 0.5921000       1.521000      0.6724000     -0.2065000      0.8960000
  1 1 1      10   26    2 o    1.778000      0.5033000       1.331000 0.5901000       2.226000      0.8156000     -0.8952000       1.007000
  1 1 1      10   26    3 o    5.441000      0.3225000       5.160000 0.4050000       5.722000      0.5020000     -0.5622000      0.6450000
  1 1 1      10   26    4 o    7.211000      0.2698000       7.203000 0.3287000       7.219000      0.4280000     -0.1596000E-01  0.5397000
  1 1 1      10   26    5 o    2.286000      0.5185000       2.737000 0.7075000       1.834000      0.7581000      0.9034000       1.037000
  1 1 1      10   26    6 o    1.962000      0.5125000       2.255000 0.7194000       1.670000      0.7301000      0.5848000       1.025000
  1 1 1      10   26    7 o    3.048000      0.4959000       3.936000 0.5911000       2.159000      0.7963000       1.777000      0.9917000
  1 1 1      10   26    8 o    8.405000      0.2963000       7.986000 0.4120000       8.823000      0.4258000     -0.8371000      0.5925000
  1 1 1      10   26    9 o    1.927000      0.5652000       1.687000 0.7514000       2.168000      0.8444000     -0.4816000       1.130000
  1 1 1      10   26   10 o    2.127000      0.5999000       1.790000 0.8061000       2.465000      0.8887000     -0.6750000       1.200000
  1 1 1      10   26   11 o    7.257000      0.5175000       7.257000 0.5175000                  ?              ?              ?              ?
  1 1 1      10   26   12 o    1.874000      0.5965000       1.913000 0.8655000       1.835000      0.8211000      0.7791000E-01   1.193000
  1 1 1      10   26   13 o    2.306000      0.7079000       2.356000 1.040000       2.257000      0.9606000      0.9838000E-01   1.416000
  1 1 1      10   26   14 o    4.861000      0.6702000       4.306000 1.072000       5.416000      0.8051000      -1.110000       1.340000
  1 1 1      10   26   15 f    2.551000      0.7261000       2.183000 0.9977000       2.919000       1.055000     -0.7355000       1.452000
  1 1 1      10   26   16 f    4.574000      0.6591000       3.428000 1.104000       5.720000      0.7204000      -2.292000       1.318000
  1 1 1      10   26   17 o    5.138000      0.5115000       5.289000 0.6683000       4.987000      0.7745000      0.3020000       1.023000
  1 1 1      10   26   18 o    4.517000      0.7523000       3.232000 1.324000       5.802000      0.7148000      -2.570000       1.505000
  1 1 1      10   26   19 o    2.569000      0.7031000       2.217000 0.9428000       2.921000       1.043000     -0.7039000       1.406000
  1 1 1      10   26   20 o    4.175000      0.6347000       3.930000 0.9746000       4.420000      0.8135000     -0.4897000       1.269000
  1 1 1      10   26   21 o    2.987000      0.6913000       3.544000 1.032000       2.429000      0.9201000       1.116000       1.383000
  1 1 1      10   26   22 o    2.108000      0.6404000       2.351000 0.9744000       1.864000      0.8314000      0.4871000       1.281000
  1 1 1      10   26   23 o    2.355000      0.6529000       2.973000 1.054000       1.737000      0.7709000       1.236000       1.306000
  1 1 1      10   26   24 o    3.376000      0.9576000       4.122000 1.477000       2.631000       1.219000       1.491000       1.915000
  1 1 1      10   26   25 o    2.889000      0.8983000       2.309000 1.124000       3.468000       1.402000      -1.159000       1.797000
  1 1 1      10   26   26 o    2.861000      0.9041000       2.585000 1.201000       3.137000       1.352000     -0.5518000       1.808000
  1 1 1      10   26   27 o    2.418000      0.7063000       2.754000 1.071000       2.081000      0.9211000      0.6730000       1.413000
  1 1 1      10   27    0 o    2.551000      0.5174000       2.665000 0.6591000       2.438000      0.7978000      0.2269000       1.035000
  1 1 1      10   27    1 o    4.123000      0.3760000       4.121000 0.4770000       4.125000      0.5813000     -0.4626000E-02  0.7520000
  1 1 1      10   27    2 o    10.25000      0.2579000       10.88000 0.3226000       9.617000      0.4025000       1.267000      0.5159000
  1 1 1      10   27    3 o    2.402000      0.5285000       1.754000 0.6921000       3.050000      0.7990000      -1.297000       1.057000
  1 1 1      10   27    4 o    5.847000      0.3289000       6.062000 0.3945000       5.633000      0.5263000      0.4292000      0.6578000
  1 1 1      10   27    5 o    5.121000      0.3559000       5.689000 0.4071000       4.553000      0.5838000       1.136000      0.7117000
  1 1 1      10   27    6 o    5.809000      0.3275000       5.909000 0.4447000       5.710000      0.4808000      0.1986000      0.6549000
  1 1 1      10   27    7 o    3.884000      0.8622000       3.849000 1.582000       3.920000      0.6871000     -0.7076000E-01   1.724000
  1 1 1      10   27    8 o    3.551000      0.5350000       2.959000 0.8304000       4.143000      0.6748000      -1.184000       1.070000
  1 1 1      10   27    9 o    1.774000      0.5452000       1.574000 0.7373000       1.975000      0.8033000     -0.4014000       1.090000
  1 1 1      10   27   10 o    2.953000      0.6414000       3.635000 0.9365000       2.271000      0.8766000       1.365000       1.283000
  1 1 1      10   27   11 o    3.507000      0.9491000       3.507000 0.9491000                  ?              ?              ?              ?
  1 1 1      10   27   12 f    3.226000      0.6380000       4.312000 0.8869000       2.141000      0.9173000       2.171000       1.276000
  1 1 1      10   27   13 o    2.850000       1.060000                  ?       ?   2.850000       1.060000                  ?              ?
  1 1 1      10   27   14 o    3.398000      0.7928000       3.468000 1.134000       3.328000       1.108000      0.1399000       1.586000
  1 1 1      10   27   15 o    4.096000      0.7573000       4.344000 1.046000       3.848000       1.095000      0.4960000       1.515000
  1 1 1      10   27   16 o    1.978000      0.6450000       2.168000 0.9655000       1.788000      0.8554000      0.3793000       1.290000
  1 1 1      10   27   17 o    2.859000      0.7255000       2.851000 1.005000       2.868000       1.046000     -0.1670000E-01   1.451000
  1 1 1      10   27   18 o    3.295000      0.9747000       3.190000 1.337000       3.401000       1.418000     -0.2110000       1.949000
  1 1 1      10   27   19 o    2.537000      0.8392000       2.323000 1.109000       2.752000       1.259000     -0.4296000       1.678000
  1 1 1      10   27   20 o    3.110000      0.9113000       4.000000 1.472000       2.219000       1.075000       1.781000       1.823000
  1 1 1      10   27   21 o    3.386000      0.9700000       3.961000 1.468000       2.812000       1.268000       1.149000       1.940000
  1 1 1      10   27   22 o    1.742000      0.5740000       1.618000 0.7714000       1.866000      0.8501000     -0.2485000       1.148000
  1 1 1      10   27   23 o    3.177000      0.7167000       2.576000 1.068000       3.778000      0.9560000      -1.202000       1.433000
  1 1 1      10   27   24 o    3.031000      0.7303000       2.595000 1.047000       3.467000       1.019000     -0.8726000       1.461000
  1 1 1      10   27   25 o    2.997000      0.6969000       2.110000 0.9492000       3.885000       1.021000      -1.775000       1.394000
  1 1 1      10   27   26 o    3.984000      0.7772000       4.361000 1.182000       3.607000       1.009000      0.7538000       1.554000
  1 1 1      10   28    0 o    3.072000      0.5612000       2.091000 0.6971000       4.053000      0.8797000      -1.962000       1.122000
  1 1 1      10   28    1 o    3.769000      0.4270000       3.380000 0.5723000       4.159000      0.6339000     -0.7792000      0.8540000
  1 1 1      10   28    2 o    6.427000      0.3241000       6.465000 0.3904000       6.388000      0.5174000      0.7655000E-01  0.6482000
  1 1 1      10   28    3 o    6.066000      0.3435000       6.625000 0.3918000       5.507000      0.5643000       1.118000      0.6870000
  1 1 1      10   28    4 o    1.902000      0.5168000       2.241000 0.7540000       1.562000      0.7070000      0.6788000       1.034000
  1 1 1      10   28    5 o    2.309000      0.5874000       1.884000 0.7743000       2.735000      0.8836000     -0.8508000       1.175000
  1 1 1      10   28    6 f    7.097000      0.3191000       6.783000 0.4285000       7.411000      0.4729000     -0.6271000      0.6382000
  1 1 1      10   28    7 o    5.517000      0.3481000       5.806000 0.4464000       5.228000      0.5341000      0.5775000      0.6961000
  1 1 1      10   28    8 o    5.062000      0.3969000       4.733000 0.5896000       5.391000      0.5313000     -0.6584000      0.7937000
  1 1 1      10   28    9 o    3.194000      0.6563000       2.832000 0.9507000       3.557000      0.9049000     -0.7253000       1.313000
  1 1 1      10   28   10 o    2.239000      0.6280000       2.943000 1.018000       1.535000      0.7354000       1.408000       1.256000
  1 1 1      10   28   11 o    2.153000      0.9375000       2.153000 0.9375000                  ?              ?              ?              ?
  1 1 1      10   28   12 o    2.682000      0.7334000       2.993000 1.082000       2.371000      0.9899000      0.6221000       1.467000
  1 1 1      10   28   13 o    4.374000       1.194000                  ?       ?   4.374000       1.194000                  ?              ?
  1 1 1      10   28   14 o    4.659000      0.9460000       4.821000 1.423000       4.496000       1.247000      0.3251000       1.892000
  1 1 1      10   28   15 o    4.117000      0.9089000       4.554000 1.279000       3.679000       1.291000      0.8750000       1.818000
  1 1 1      10   28   16 o    2.863000      0.7154000       2.644000 0.9682000       3.082000       1.054000     -0.4376000       1.431000
  1 1 1      10   28   17 o    2.211000      0.6570000       1.716000 0.8000000       2.705000       1.042000     -0.9893000       1.314000
  1 1 1      10   28   18 o    2.672000      0.7280000       2.537000 0.9926000       2.807000       1.065000     -0.2700000       1.456000
  1 1 1      10   28   19 o    3.695000      0.7294000       2.976000 1.103000       4.414000      0.9544000      -1.438000       1.459000
  1 1 1      10   28   20 o    2.486000      0.7228000       2.681000 1.059000       2.292000      0.9839000      0.3892000       1.446000
  1 1 1      10   28   21 o    2.183000      0.6553000       2.847000 1.084000       1.520000      0.7360000       1.327000       1.311000
  1 1 1      10   28   22 o    2.705000      0.7711000       2.939000 1.158000       2.471000       1.019000      0.4681000       1.542000
  1 1 1      10   28   23 o    3.524000      0.8395000       3.989000 1.211000       3.059000       1.163000      0.9305000       1.679000
  1 1 1      10   28   24 o    3.058000      0.8187000       3.271000 1.215000       2.845000       1.097000      0.4258000       1.637000
  1 1 1      10   28   25 o    2.383000      0.6989000       2.749000 1.068000       2.018000      0.9021000      0.7311000       1.398000
  1 1 1      10   29    0 o    2.411000      0.5870000       2.062000 0.7465000       2.760000      0.9060000     -0.6979000       1.174000
  1 1 1      10   29    1 o    3.228000      0.5543000       2.424000 0.7743000       4.031000      0.7932000      -1.607000       1.109000
  1 1 1      10   29    2 o    3.624000      0.4929000       2.972000 0.6936000       4.276000      0.7004000      -1.305000      0.9858000
  1 1 1      10   29    3 o    2.970000      0.5983000       2.962000 0.7864000       2.978000      0.9020000     -0.1645000E-01   1.197000
  1 1 1      10   29    4 o    5.915000      0.3739000       5.313000 0.5039000       6.518000      0.5524000      -1.205000      0.7477000
  1 1 1      10   29    5 o    2.097000      0.5632000       2.498000 0.8315000       1.695000      0.7600000      0.8034000       1.126000
  1 1 1      10   29    6 o    5.937000      0.3589000       5.448000 0.4770000       6.425000      0.5364000     -0.9772000      0.7178000
  1 1 1      10   29    7 o    2.526000      0.5406000       3.353000 0.7819000       1.698000      0.7467000       1.655000       1.081000
  1 1 1      10   29    8 o    2.450000      0.6003000       3.000000 0.8855000       1.899000      0.8108000       1.101000       1.201000
  1 1 1      10   29    9 o    3.527000      0.6369000       3.492000 0.9401000       3.561000      0.8594000     -0.6954000E-01   1.274000
  1 1 1      10   29   10 f    4.263000      0.6000000       4.454000 0.8733000       4.072000      0.8230000      0.3821000       1.200000
  1 1 1      10   29   11 f    2.285000      0.6490000       1.939000 0.8778000       2.631000      0.9563000     -0.6919000       1.298000
  1 1 1      10   29   12 o    2.446000      0.6876000       2.546000 0.9886000       2.346000      0.9560000      0.1993000       1.375000
  1 1 1      10   29   13 o    2.050000      0.6432000       1.948000 0.8662000       2.151000      0.9511000     -0.2027000       1.286000
  1 1 1      10   29   14 o    2.193000      0.6838000       2.210000 0.9431000       2.176000      0.9904000      0.3377000E-01   1.368000
  1 1 1      10   29   15 o    3.684000      0.6923000       4.271000 0.8510000       3.097000       1.092000       1.174000       1.385000
  1 1 1      10   29   16 o    2.258000      0.7406000       2.080000 0.9876000       2.435000       1.104000     -0.3553000       1.481000
  1 1 1      10   29   17 o    2.102000      0.6941000       1.908000 0.9037000       2.297000       1.054000     -0.3887000       1.388000
  1 1 1      10   29   18 o    4.020000      0.8231000       4.135000 1.150000       3.905000       1.178000      0.2304000       1.646000
  1 1 1      10   29   19 o    3.666000      0.8573000       3.295000 1.238000       4.037000       1.186000     -0.7416000       1.715000
  1 1 1      10   29   20 o    2.570000      0.7269000       2.994000 1.100000       2.146000      0.9503000      0.8486000       1.454000
  1 1 1      10   29   21 o    2.247000      0.6772000       1.879000 0.8890000       2.614000       1.022000     -0.7351000       1.354000
  1 1 1      10   29   22 o    2.998000      0.7673000       2.500000 1.056000       3.495000       1.113000     -0.9944000       1.535000
  1 1 1      10   29   23 o    2.810000      0.7652000       3.105000 1.136000       2.515000       1.026000      0.5905000       1.530000
  1 1 1      10   29   24 o    2.653000      0.8439000       2.177000 0.9931000       3.130000       1.365000     -0.9529000       1.688000
  1 1 1      10   30    0 o    3.812000      0.8641000       2.640000 1.115000       4.984000       1.320000      -2.344000       1.728000
  1 1 1      10   30    1 o    5.159000      0.9278000       4.378000 1.271000       5.940000       1.352000      -1.562000       1.856000
  1 1 1      10   30    2 o    2.850000      0.8525000       3.209000 1.257000       2.490000       1.152000      0.7189000       1.705000
  1 1 1      10   30    3 o    3.588000      0.9017000       3.168000 1.207000       4.008000       1.340000     -0.8397000       1.803000
  1 1 1      10   30    4 o    6.004000       1.413000       6.004000 1.413000                  ?              ?              ?              ?
  1 1 1      10   30    5 o    5.421000      0.9739000       6.114000 1.288000       4.728000       1.461000       1.387000       1.948000
  1 1 1      10   30    6 o    3.011000      0.9254000       3.439000 1.408000       2.583000       1.201000      0.8560000       1.851000
  1 1 1      10   30    7 o    3.658000      0.9960000       4.124000 1.486000       3.192000       1.326000      0.9319000       1.992000
  1 1 1      10   30    8 o    3.061000      0.9678000       3.575000 1.516000       2.546000       1.203000       1.030000       1.936000
  1 1 1      10   30    9 o    2.807000      0.8650000       2.273000 1.089000       3.342000       1.344000      -1.069000       1.730000
  1 1 1      10   30   10 o    2.782000      0.8495000       3.010000 1.243000       2.554000       1.158000      0.4554000       1.699000
  1 1 1      10   30   11 o    2.773000      0.8624000       2.723000 1.196000       2.824000       1.243000     -0.1010000       1.725000
  1 1 1      10   30   12 o    2.098000      0.6664000       2.111000 0.8558000       2.085000       1.022000      0.2614000E-01   1.333000
  1 1 1      10   30   13 f    2.829000      0.7357000       2.288000 0.9627000       3.369000       1.113000      -1.082000       1.471000
  1 1 1      10   30   14 o    2.355000      0.7086000       2.477000 0.9989000       2.233000       1.005000      0.2439000       1.417000
  1 1 1      10   30   15 o    2.882000      0.8061000       2.682000 1.086000       3.082000       1.192000     -0.3996000       1.612000
  1 1 1      10   30   16 o    2.276000      0.6921000       1.864000 0.8777000       2.687000       1.070000     -0.8230000       1.384000
  1 1 1      10   30   17 o    2.425000      0.7149000       2.679000 1.051000       2.171000      0.9696000      0.5073000       1.430000
  1 1 1      10   30   18 o    2.895000      0.7724000       2.708000 1.066000       3.082000       1.118000     -0.3743000       1.545000
  1 1 1      10   30   19 o    2.070000      0.6893000       1.666000 0.8183000       2.475000       1.109000     -0.8089000       1.379000
  1 1 1      10   30   20 o    2.160000      0.6808000       1.982000 0.9264000       2.338000      0.9978000     -0.3567000       1.362000
  1 1 1      10   30   21 o    2.899000      0.7750000       2.548000 1.063000       3.250000       1.128000     -0.7019000       1.550000
  1 1 1      10   30   22 o    3.540000      0.7581000       4.284000 1.091000       2.797000       1.053000       1.487000       1.516000
  1 1 1      10   31    0 o    2.159000      0.5975000       1.417000 0.6712000       2.902000      0.9888000      -1.484000       1.195000
  1 1 1      10   31    1 o    2.839000      0.6448000       2.825000 0.8272000       2.854000      0.9892000     -0.2885000E-01   1.290000
  1 1 1      10   31    2 o    1.923000      0.5733000       1.495000 0.6888000       2.351000      0.9166000     -0.8551000       1.147000
  1 1 1      10   31    3 o    2.827000      0.6259000       2.613000 0.8513000       3.042000      0.9178000     -0.4293000       1.252000
  1 1 1      10   31    4 o    4.214000      0.5283000       4.723000 0.6241000       3.705000      0.8525000       1.018000       1.057000
  1 1 1      10   31    5 o    3.079000      0.6434000       2.976000 0.9181000       3.182000      0.9017000     -0.2054000       1.287000
  1 1 1      10   31    6 o    2.170000      0.6278000       2.271000 0.8943000       2.069000      0.8814000      0.2026000       1.256000
  1 1 1      10   31    7 f    2.593000      0.6449000       2.070000 0.8688000       3.117000      0.9532000      -1.047000       1.290000
  1 1 1      10   31    8 o    2.205000      0.6430000       1.911000 0.8429000       2.499000      0.9712000     -0.5877000       1.286000
  1 1 1      10   31    9 o    2.773000      0.6725000       2.415000 0.9379000       3.131000      0.9639000     -0.7165000       1.345000
  1 1 1      10   31   10 o    5.654000      0.4803000       5.831000 0.6624000       5.477000      0.6958000      0.3538000      0.9607000
  1 1 1      10   31   11 o    3.939000      0.6800000       3.682000 0.9668000       4.197000      0.9564000     -0.5149000       1.360000
  1 1 1      10   31   12 o    2.639000      0.7257000       2.237000 0.9483000       3.041000       1.099000     -0.8033000       1.451000
  1 1 1      10   31   13 o    2.600000      0.7096000       2.055000 0.9162000       3.144000       1.084000      -1.089000       1.419000
  1 1 1      10   31   14 o    1.902000      0.6450000       1.853000 0.9070000       1.950000      0.9173000     -0.9731000E-01   1.290000
  1 1 1      10   31   15 o    2.513000      0.7362000       2.541000 1.026000       2.485000       1.056000      0.5544000E-01   1.472000
  1 1 1      10   31   16 o    2.036000      0.6607000       2.194000 0.9692000       1.877000      0.8983000      0.3168000       1.321000
  1 1 1      10   31   17 o    2.963000      0.7651000       2.402000 1.033000       3.524000       1.129000      -1.122000       1.530000
  1 1 1      10   31   18 o    3.295000      0.7710000       3.233000 1.105000       3.357000       1.075000     -0.1243000       1.542000
  1 1 1      10   31   19 o    2.310000      0.7198000       2.354000 1.030000       2.267000       1.006000      0.8658000E-01   1.440000
  1 1 1      10   31   20 o    3.005000      0.7909000       3.423000 1.169000       2.587000       1.065000      0.8358000       1.582000
  1 1 1      10   31   21 o    2.979000      0.9230000       2.443000 1.063000       3.515000       1.509000      -1.072000       1.846000
  1 1 1      10   32    0 o    2.819000      0.6436000       2.923000 0.8650000       2.716000      0.9532000      0.2067000       1.287000
  1 1 1      10   32    1 f    3.450000      0.6325000       3.654000 0.8287000       3.245000      0.9557000      0.4088000       1.265000
  1 1 1      10   32    2 o    1.957000      0.5991000       2.108000 0.8623000       1.805000      0.8320000      0.3032000       1.198000
  1 1 1      10   32    3 o    3.951000      0.6437000       3.572000 0.9021000       4.331000      0.9186000     -0.7591000       1.287000
  1 1 1      10   32    4 f    4.292000      0.6133000       4.832000 0.7136000       3.752000      0.9976000       1.080000       1.227000
  1 1 1      10   32    5 o    2.771000      0.6865000       2.317000 0.9207000       3.225000       1.018000     -0.9079000       1.373000
  1 1 1      10   32    6 f    3.087000      0.6673000       2.278000 0.9171000       3.896000      0.9695000      -1.619000       1.335000
  1 1 1      10   32    7 f    4.046000      0.6166000       5.153000 0.6944000       2.938000       1.019000       2.215000       1.233000
  1 1 1      10   32    8 o    3.212000      0.6592000       4.004000 0.8754000       2.420000      0.9859000       1.583000       1.318000
  1 1 1      10   32    9 o    2.262000      0.6670000       2.391000 0.9614000       2.132000      0.9248000      0.2588000       1.334000
  1 1 1      10   32   10 o    3.049000      0.7368000       3.535000 1.021000       2.564000       1.062000      0.9711000       1.474000
  1 1 1      10   32   11 o    2.549000      0.7391000       2.268000 0.9861000       2.829000       1.101000     -0.5615000       1.478000
  1 1 1      10   32   12 o    2.301000      0.9940000       2.301000 0.9940000                  ?              ?              ?              ?
  1 1 1      10   32   13 o    2.131000      0.6697000       2.281000 0.9785000       1.982000      0.9147000      0.2987000       1.339000
  1 1 1      10   32   14 o    2.798000       1.120000                  ?       ?   2.798000       1.120000                  ?              ?
  1 1 1      10   32   15 o    1.958000      0.6459000       2.119000 0.9508000       1.797000      0.8745000      0.3219000       1.292000
  1 1 1      10   32   16 o    2.666000      0.7630000       2.581000 1.044000       2.752000       1.113000     -0.1713000       1.526000
  1 1 1      10   32   17 o    2.951000      0.7703000       3.360000 1.116000       2.542000       1.062000      0.8187000       1.541000
  1 1 1      10   32   18 o    3.498000      0.7812000       4.164000 1.103000       2.831000       1.107000       1.333000       1.562000
  1 1 1      10   32   19 o    4.016000      0.7943000       4.312000 1.087000       3.721000       1.159000      0.5903000       1.589000
  1 1 1      10   33    0 o    2.703000      0.7014000       2.542000 0.9278000       2.865000       1.052000     -0.3226000       1.403000
  1 1 1      10   33    1 o    2.746000      0.7018000       2.791000 0.9594000       2.701000       1.025000      0.9088000E-01   1.404000
  1 1 1      10   33    2 o    2.203000      0.6618000       2.246000 0.9082000       2.160000      0.9628000      0.8533000E-01   1.324000
  1 1 1      10   33    3 o    2.919000      0.7311000       3.155000 0.9981000       2.683000       1.069000      0.4721000       1.462000
  1 1 1      10   33    4 o    3.259000      0.7480000       3.359000 1.012000       3.160000       1.102000      0.1990000       1.496000
  1 1 1      10   33    5 o    2.285000      0.6847000       2.529000 1.006000       2.040000      0.9287000      0.4885000       1.369000
  1 1 1      10   33    6 o    3.282000      0.7560000       3.144000 1.032000       3.419000       1.105000     -0.2752000       1.512000
  1 1 1      10   33    7 o    4.208000      0.7797000       3.747000 1.099000       4.668000       1.106000     -0.9203000       1.559000
  1 1 1      10   33    8 f    2.520000      0.7165000       2.363000 0.9820000       2.677000       1.044000     -0.3140000       1.433000
  1 1 1      10   33    9 o    2.972000      0.7615000       3.167000 1.062000       2.778000       1.091000      0.3893000       1.523000
  1 1 1      10   33   10 o    2.626000      0.7220000       1.891000 0.8829000       3.361000       1.143000      -1.470000       1.444000
  1 1 1      10   33   11 o    2.649000      0.7621000       2.531000 1.028000       2.767000       1.126000     -0.2363000       1.524000
  1 1 1      10   33   12 o    3.038000       1.070000       3.038000 1.070000                  ?              ?              ?              ?
  1 1 1      10   33   13 o    2.453000      0.7100000       2.054000 0.9162000       2.853000       1.085000     -0.7992000       1.420000
  1 1 1      10   33   14 o    2.244000       1.016000                  ?       ?   2.244000       1.016000                  ?              ?
  1 1 1      10   33   15 o    2.647000      0.7600000       2.575000 1.054000       2.719000       1.096000     -0.1445000       1.520000
  1 1 1      10   33   16 o    3.196000      0.8179000       3.301000 1.132000       3.090000       1.181000      0.2113000       1.636000
  1 1 1      10   33   17 o    3.224000      0.7831000       3.035000 1.114000       3.412000       1.100000     -0.3775000       1.566000
  1 1 1      10   34    0 o    2.396000      0.6783000       2.571000 0.9494000       2.222000      0.9691000      0.3495000       1.357000
  1 1 1      10   34    1 o    2.439000      0.6974000       2.370000 0.9466000       2.508000       1.024000     -0.1378000       1.395000
  1 1 1      10   34    2 o    2.704000      0.7104000       2.997000 0.9923000       2.412000       1.017000      0.5849000       1.421000
  1 1 1      10   34    3 o    2.585000      0.7365000       2.505000 0.9873000       2.664000       1.093000     -0.1591000       1.473000
  1 1 1      10   34    4 o    2.549000      0.7324000       2.747000 1.046000       2.351000       1.025000      0.3965000       1.465000
  1 1 1      10   34    5 o    2.686000      0.7281000       1.971000 0.8950000       3.401000       1.149000      -1.430000       1.456000
  1 1 1      10   34    6 o    2.530000      0.7373000       2.608000 1.043000       2.452000       1.043000      0.1564000       1.475000
  1 1 1      10   34    7 o    3.433000      0.7982000       3.560000 1.111000       3.306000       1.146000      0.2539000       1.596000
  1 1 1      10   34    8 o    2.985000      0.7666000       3.077000 1.069000       2.893000       1.099000      0.1848000       1.533000
  1 1 1      10   34    9 o    2.024000      0.6585000       1.851000 0.8615000       2.197000      0.9962000     -0.3465000       1.317000
  1 1 1      10   34   10 o    2.110000      0.6690000       2.494000 1.037000       1.727000      0.8453000      0.7674000       1.338000
  1 1 1      10   34   11 o    2.348000      0.7123000       2.516000 1.026000       2.181000      0.9883000      0.3355000       1.425000
  1 1 1      10   34   12 o    2.522000      0.7250000       2.746000 1.040000       2.299000       1.010000      0.4468000       1.450000
  1 1 1      10   34   13 o    2.870000      0.7767000       2.543000 1.032000       3.197000       1.161000     -0.6534000       1.553000
  1 1 1      10   34   14 o    2.702000      0.8268000       3.128000 1.301000       2.276000       1.021000      0.8525000       1.654000
  1 1 1      10   34   15 o    2.283000       1.100000                  ?       ?   2.283000       1.100000                  ?              ?
  1 1 1      10   35    0 o    3.811000      0.7690000       3.374000 1.072000       4.248000       1.103000     -0.8734000       1.538000
  1 1 1      10   35    1 o    3.592000      0.8386000       3.704000 1.111000       3.480000       1.257000      0.2239000       1.677000
  1 1 1      10   35    2 o    2.857000      0.7741000       2.635000 1.020000       3.079000       1.165000     -0.4435000       1.548000
  1 1 1      10   35    3 o    3.181000      0.7829000       2.996000 1.048000       3.365000       1.163000     -0.3688000       1.566000
  1 1 1      10   35    4 o    3.662000      0.7968000       3.313000 1.051000       4.011000       1.198000     -0.6988000       1.594000
  1 1 1      10   35    5 o    2.271000      0.7014000       1.724000 0.8277000       2.819000       1.133000      -1.096000       1.403000
  1 1 1      10   35    6 o    3.197000      0.8162000       3.435000 1.128000       2.959000       1.179000      0.4766000       1.632000
  1 1 1      10   35    7 o    1.898000      0.6316000       1.496000 0.7398000       2.301000       1.024000     -0.8054000       1.263000
  1 1 1      10   35    8 o    2.436000      0.6749000       1.535000 0.7544000       3.337000       1.119000      -1.802000       1.350000
  1 1 1      10   35    9 o    1.847000      0.6211000       1.976000 0.9134000       1.719000      0.8419000      0.2574000       1.242000
  1 1 1      10   35   10 o    2.819000      0.7869000       2.689000 1.067000       2.948000       1.157000     -0.2594000       1.574000
  1 1 1      10   35   11 o    2.132000      0.6836000       1.732000 0.8270000       2.532000       1.089000     -0.8002000       1.367000
  1 1 1      10   35   12 o    2.678000       1.218000                  ?       ?   2.678000       1.218000                  ?              ?
  1 1 1      10   36    0 o    2.475000      0.7475000       2.037000 0.9281000       2.913000       1.172000     -0.8761000       1.495000
  1 1 1      10   36    1 o    3.253000      0.8354000       2.915000 1.107000       3.591000       1.252000     -0.6758000       1.671000
  1 1 1      10   36    2 o    4.808000      0.7599000       5.924000 0.8318000       3.692000       1.272000       2.232000       1.520000
  1 1 1      10   36    3 o    3.794000      0.7848000       3.031000 1.068000       4.556000       1.150000      -1.524000       1.570000
  1 1 1      10   36    4 o    2.626000      0.7569000       2.643000 1.038000       2.609000       1.102000      0.3372000E-01   1.514000
  1 1 1      10   36    5 o    2.258000      0.7123000       1.910000 0.8847000       2.606000       1.117000     -0.6953000       1.425000
  1 1 1      10   36    6 o    2.762000      0.7890000       2.818000 1.093000       2.705000       1.139000      0.1122000       1.578000
  1 1 1      10   36    7 o    2.470000      0.7319000       2.427000 0.9987000       2.513000       1.070000     -0.8579000E-01   1.464000
  1 1 1      10   36    8 o    3.114000       1.310000                  ?       ?   3.114000       1.310000                  ?              ?
  1 1 1      11  -27    0 o    4.753000      0.7249000       4.377000 1.081000       5.129000      0.9662000     -0.7525000       1.450000
  1 1 1      11  -27    1 o    3.266000      0.7903000       3.600000 1.111000       2.931000       1.124000      0.6689000       1.581000
  1 1 1      11  -27    2 o    3.181000      0.7963000       3.696000 1.155000       2.666000       1.097000       1.030000       1.593000
  1 1 1      11  -27    3 o    2.529000      0.7254000       2.892000 1.079000       2.165000      0.9699000      0.7266000       1.451000
  1 1 1      11  -27    4 o    3.498000      0.9526000       2.825000 1.360000       4.171000       1.334000      -1.346000       1.905000
  1 1 1      11  -26    0 o    2.497000       1.054000                  ?       ?   2.497000       1.054000                  ?              ?
  1 1 1      11  -26    1 o    3.926000      0.7568000       3.541000 1.080000       4.312000       1.061000     -0.7705000       1.514000
  1 1 1      11  -26    2 o    3.013000      0.7251000       3.401000 0.9938000       2.625000       1.056000      0.7760000       1.450000
  1 1 1      11  -26    3 o    3.303000      0.7714000       3.551000 1.038000       3.056000       1.142000      0.4956000       1.543000
  1 1 1      11  -26    4 o    2.499000      0.7285000       3.032000 1.125000       1.966000      0.9259000       1.066000       1.457000
  1 1 1      11  -26    5 o    2.484000      0.7454000       2.353000 1.019000       2.615000       1.088000     -0.2626000       1.491000
  1 1 1      11  -26    6 o    3.762000      0.7357000       4.595000 0.9451000       2.928000       1.128000       1.667000       1.471000
  1 1 1      11  -26    7 o    3.259000      0.7902000       3.067000 1.106000       3.452000       1.129000     -0.3849000       1.580000
  1 1 1      11  -26    8 o    2.479000      0.6875000       1.831000 0.8626000       3.127000       1.071000      -1.296000       1.375000
  1 1 1      11  -26    9 o    3.483000      0.7777000       3.801000 1.066000       3.164000       1.132000      0.6366000       1.555000
  1 1 1      11  -26   10 o    2.504000      0.8185000       2.789000 1.255000       2.218000       1.051000      0.5718000       1.637000
  1 1 1      11  -25    0 o    4.243000      0.6681000       4.590000 0.8225000       3.896000       1.053000      0.6939000       1.336000
  1 1 1      11  -25    1 o    3.960000      0.7114000       4.232000 0.9282000       3.689000       1.078000      0.5428000       1.423000
  1 1 1      11  -25    2 o    3.916000      0.7367000       3.609000 1.004000       4.224000       1.078000     -0.6151000       1.473000
  1 1 1      11  -25    3 o    5.085000      0.6676000       5.889000 0.7395000       4.281000       1.112000       1.608000       1.335000
  1 1 1      11  -25    4 o    4.649000      0.6469000       5.126000 0.7940000       4.173000       1.022000      0.9534000       1.294000
  1 1 1      11  -25    5 o    3.337000      0.7778000       3.401000 1.054000       3.273000       1.144000      0.1278000       1.556000
  1 1 1      11  -25    6 o    4.068000      0.7474000       4.362000 1.017000       3.774000       1.095000      0.5876000       1.495000
  1 1 1      11  -25    7 o    3.011000      0.7531000       2.436000 1.019000       3.586000       1.109000      -1.151000       1.506000
  1 1 1      11  -25    8 o    2.521000      0.7365000       2.409000 1.011000       2.632000       1.071000     -0.2232000       1.473000
  1 1 1      11  -25    9 o    4.770000      0.7038000       5.788000 0.8228000       3.753000       1.142000       2.035000       1.408000
  1 1 1      11  -25   10 o    1.923000      0.6380000       1.772000 0.8563000       2.075000      0.9459000     -0.3030000       1.276000
  1 1 1      11  -25   11 o    2.378000      0.6988000       2.670000 1.045000       2.086000      0.9278000      0.5833000       1.398000
  1 1 1      11  -25   12 o    2.856000      0.7475000       2.930000 1.062000       2.781000       1.052000      0.1492000       1.495000
  1 1 1      11  -25   13 o    3.230000       1.232000                  ?       ?   3.230000       1.232000                  ?              ?
  1 1 1      11  -24    0 o    2.972000      0.6812000       2.058000 0.8705000       3.886000       1.048000      -1.828000       1.362000
  1 1 1      11  -24    1 o    1.782000      0.5906000       1.791000 0.8265000       1.773000      0.8440000      0.1790000E-01   1.181000
  1 1 1      11  -24    2 o    3.154000      0.7208000       2.883000 0.9954000       3.425000       1.043000     -0.5424000       1.442000
  1 1 1      11  -24    3 o    7.427000      0.4486000       7.618000 0.5326000       7.235000      0.7221000      0.3828000      0.8973000
  1 1 1      11  -24    4 o    3.598000       1.088000       3.709000 1.589000       3.487000       1.487000      0.2225000       2.177000
  1 1 1      11  -24    5 o    3.854000      0.7388000       3.843000 1.004000       3.865000       1.084000     -0.2191000E-01   1.478000
  1 1 1      11  -24    6 o    4.211000      0.7579000       3.808000 1.053000       4.615000       1.090000     -0.8072000       1.516000
  1 1 1      11  -24    7 o    4.768000      0.6210000       5.245000 0.7551000       4.292000      0.9861000      0.9537000       1.242000
  1 1 1      11  -24    8 o    3.898000      0.7822000       3.999000 1.016000       3.797000       1.189000      0.2023000       1.564000
  1 1 1      11  -24    9 o    3.455000      0.8298000       3.701000 1.167000       3.208000       1.180000      0.4930000       1.660000
  1 1 1      11  -24   10 o    2.162000      0.7077000       2.351000 1.055000       1.972000      0.9432000      0.3789000       1.415000
  1 1 1      11  -24   11 o    2.841000      0.7254000       2.578000 1.027000       3.104000       1.025000     -0.5255000       1.451000
  1 1 1      11  -24   12 o    2.281000      0.6875000       2.260000 0.9671000       2.301000      0.9774000     -0.4034000E-01   1.375000
  1 1 1      11  -24   13 o    2.173000      0.6639000       2.421000 0.9928000       1.925000      0.8818000      0.4966000       1.328000
  1 1 1      11  -24   14 o    2.426000      0.6804000       2.852000 1.035000       2.000000      0.8830000      0.8522000       1.361000
  1 1 1      11  -24   15 o    3.598000      0.6827000       3.948000 0.9805000       3.248000      0.9503000      0.7003000       1.365000
  1 1 1      11  -23    0 o    3.597000      0.6424000       2.755000 0.9088000       4.439000      0.9082000      -1.684000       1.285000
  1 1 1      11  -23    1 o    3.317000       1.054000                  ?       ?   3.317000       1.054000                  ?              ?
  1 1 1      11  -23    2 o    3.390000      0.7359000       3.479000 0.9452000       3.300000       1.128000      0.1793000       1.472000
  1 1 1      11  -23    3 o    5.929000      0.5230000       5.956000 0.6672000       5.903000      0.8055000      0.5325000E-01   1.046000
  1 1 1      11  -23    4 o    6.410000      0.4953000       5.999000 0.6618000       6.820000      0.7372000     -0.8210000      0.9907000
  1 1 1      11  -23    5 o    2.846000      0.9120000       2.843000 1.332000       2.849000       1.246000     -0.6526000E-02   1.824000
  1 1 1      11  -23    6 o    7.452000      0.4172000       7.419000 0.5275000       7.484000      0.6465000     -0.6486000E-01  0.8344000
  1 1 1      11  -23    7 o    5.790000      0.4752000       6.037000 0.6022000       5.542000      0.7352000      0.4953000      0.9504000
  1 1 1      11  -23    8 o    2.190000      0.6590000       1.788000 0.8239000       2.591000       1.029000     -0.8032000       1.318000
  1 1 1      11  -23    9 o    3.332000      0.8870000       2.669000 0.9992000       3.994000       1.466000      -1.325000       1.774000
  1 1 1      11  -23   10 o    3.618000       1.016000       3.580000 1.427000       3.656000       1.445000     -0.7646000E-01   2.031000
  1 1 1      11  -23   11 o    2.722000      0.8151000       3.488000 1.328000       1.956000      0.9454000       1.533000       1.630000
  1 1 1      11  -23   12 o    3.108000      0.8650000       3.380000 1.277000       2.835000       1.167000      0.5442000       1.730000
  1 1 1      11  -23   13 f    2.697000      0.8267000       2.643000 1.181000       2.751000       1.158000     -0.1074000       1.653000
  1 1 1      11  -23   14 o    3.334000      0.7594000       3.260000 1.252000       3.408000      0.8602000     -0.1482000       1.519000
  1 1 1      11  -23   15 o    2.509000      0.6779000       2.647000 0.9854000       2.371000      0.9313000      0.2759000       1.356000
  1 1 1      11  -23   16 o    2.461000      0.6579000       1.925000 0.8792000       2.996000      0.9788000      -1.071000       1.316000
  1 1 1      11  -23   17 o    2.595000      0.6947000       2.498000 1.000000       2.692000      0.9641000     -0.1945000       1.389000
  1 1 1      11  -23   18 o    2.459000       1.055000       2.459000 1.055000                  ?              ?              ?              ?
  1 1 1      11  -22    0 o    5.381000      0.5327000       4.409000 0.7718000       6.354000      0.7343000      -1.945000       1.065000
  1 1 1      11  -22    1 o    3.403000      0.9579000                  ?       ?   3.403000      0.9579000                  ?              ?
  1 1 1      11  -22    2 o    4.627000      0.4803000       4.733000 0.5666000       4.521000      0.7757000      0.2111000      0.9606000
  1 1 1      11  -22    3 o    8.492000      0.3691000       8.384000 0.4472000       8.600000      0.5873000     -0.2157000      0.7382000
  1 1 1      11  -22    4 o    3.748000       1.037000       4.074000 1.526000       3.423000       1.406000      0.6510000       2.075000
  1 1 1      11  -22    5 o    3.576000      0.9909000       4.327000 1.519000       2.825000       1.274000       1.501000       1.982000
  1 1 1      11  -22    6 o    3.857000       1.008000       4.750000 1.539000       2.963000       1.301000       1.788000       2.015000
  1 1 1      11  -22    8 o    2.445000      0.6842000       2.456000 0.9551000       2.433000      0.9798000      0.2372000E-01   1.368000
  1 1 1      11  -22    9 o    4.416000      0.6200000       4.703000 0.8348000       4.129000      0.9169000      0.5744000       1.240000
  1 1 1      11  -22   10 o    4.065000      0.6810000       4.124000 0.9979000       4.006000      0.9271000      0.1182000       1.362000
  1 1 1      11  -22   11 o    2.738000      0.7161000       2.547000 1.001000       2.930000       1.024000     -0.3828000       1.432000
  1 1 1      11  -22   12 o    4.626000      0.5546000       4.656000 0.7756000       4.596000      0.7929000      0.5928000E-01   1.109000
  1 1 1      11  -22   13 o    3.360000      0.7137000       3.312000 1.022000       3.409000      0.9967000     -0.9638000E-01   1.427000
  1 1 1      11  -22   14 o    1.929000      0.6161000       1.968000 0.8839000       1.891000      0.8585000      0.7686000E-01   1.232000
  1 1 1      11  -22   15 o    4.686000      0.5550000       5.329000 0.7295000       4.044000      0.8366000       1.285000       1.110000
  1 1 1      11  -22   16 o    1.839000      0.5925000       2.002000 0.8937000       1.677000      0.7783000      0.3256000       1.185000
  1 1 1      11  -22   17 o    2.726000      0.6785000       3.179000 1.014000       2.273000      0.9021000      0.9060000       1.357000
  1 1 1      11  -22   18 o    2.086000      0.6050000       1.757000 0.8130000       2.415000      0.8961000     -0.6584000       1.210000
  1 1 1      11  -22   19 o    3.873000      0.6311000       4.165000 0.9059000       3.580000      0.8789000      0.5849000       1.262000
  1 1 1      11  -21    0 o    4.701000      0.9409000       5.474000 1.248000       3.928000       1.408000       1.546000       1.882000
  1 1 1      11  -21    1 o    3.801000      0.9649000       4.421000 1.406000       3.182000       1.322000       1.239000       1.930000
  1 1 1      11  -21    2 o    2.613000      0.8312000       2.986000 1.289000       2.241000       1.049000      0.7449000       1.662000
  1 1 1      11  -21    3 o    2.360000      0.6102000       2.797000 0.8882000       1.922000      0.8371000      0.8750000       1.220000
  1 1 1      11  -21    4 o    3.876000      0.5893000       4.710000 0.6663000       3.042000      0.9723000       1.668000       1.179000
  1 1 1      11  -21    5 o    5.345000      0.4697000       5.030000 0.6694000       5.659000      0.6592000     -0.6288000      0.9395000
  1 1 1      11  -21    6 o    4.658000      0.4807000       4.546000 0.7011000       4.770000      0.6580000     -0.2241000      0.9615000
  1 1 1      11  -21    7 o    2.472000      0.6283000       2.673000 0.8944000       2.272000      0.8825000      0.4013000       1.257000
  1 1 1      11  -21    8 o    2.803000      0.6159000       2.347000 0.8822000       3.259000      0.8597000     -0.9121000       1.232000
  1 1 1      11  -21    9 o    3.464000      0.6285000       4.166000 0.8342000       2.761000      0.9405000       1.405000       1.257000
  1 1 1      11  -21   10 o    2.846000      0.7106000       2.850000 1.007000       2.842000       1.003000      0.8767000E-02   1.421000
  1 1 1      11  -21   11 o    2.352000      0.6931000       2.094000 0.9360000       2.611000       1.023000     -0.5177000       1.386000
  1 1 1      11  -21   12 o    2.439000      0.6387000       3.005000 0.9688000       1.873000      0.8327000       1.132000       1.277000
  1 1 1      11  -21   13 o    2.540000      0.6690000       2.869000 0.9848000       2.212000      0.9058000      0.6570000       1.338000
  1 1 1      11  -21   14 o    5.715000      0.4510000       6.222000 0.5740000       5.207000      0.6959000       1.014000      0.9021000
  1 1 1      11  -21   15 o    3.069000      0.6780000       2.957000 0.9851000       3.181000      0.9318000     -0.2244000       1.356000
  1 1 1      11  -21   16 o    2.960000      0.6763000       3.281000 0.9646000       2.639000      0.9481000      0.6421000       1.353000
  1 1 1      11  -21   17 o    7.181000      0.4406000       7.514000 0.6526000       6.848000      0.5920000      0.6660000      0.8811000
  1 1 1      11  -21   18 o    4.730000      0.4892000       4.966000 0.7213000       4.495000      0.6609000      0.4710000      0.9783000
  1 1 1      11  -21   19 o    3.305000      0.6473000       2.768000 1.023000       3.841000      0.7936000      -1.073000       1.295000
  1 1 1      11  -21   20 o    2.944000      0.6581000       2.303000 0.9720000       3.585000      0.8874000      -1.282000       1.316000
  1 1 1      11  -21   21 o    3.855000      0.6756000       3.523000 1.056000       4.186000      0.8432000     -0.6628000       1.351000
  1 1 1      11  -20    0 o    7.360000      0.3492000       7.307000 0.4378000       7.414000      0.5441000     -0.1077000      0.6983000
  1 1 1      11  -20    1 o    6.768000      0.3689000       6.970000 0.4586000       6.567000      0.5780000      0.4027000      0.7378000
  1 1 1      11  -20    2 o    9.389000      0.3176000       9.866000 0.4113000       8.911000      0.4840000      0.9546000      0.6351000
  1 1 1      11  -20    3 o    7.903000      0.3315000       7.809000 0.4445000       7.997000      0.4919000     -0.1881000      0.6630000
  1 1 1      11  -20    4 o    2.582000      0.5852000       3.243000 0.8182000       1.921000      0.8371000       1.322000       1.170000
  1 1 1      11  -20    5 o    6.308000      0.3985000       5.932000 0.5349000       6.683000      0.5908000     -0.7504000      0.7970000
  1 1 1      11  -20    6 o    4.046000      0.5481000       3.689000 0.8007000       4.404000      0.7486000     -0.7152000       1.096000
  1 1 1      11  -20    7 o    1.962000      0.5913000       1.883000 0.8114000       2.041000      0.8604000     -0.1580000       1.183000
  1 1 1      11  -20    8 o    5.810000      0.4008000       5.561000 0.5795000       6.058000      0.5539000     -0.4975000      0.8016000
  1 1 1      11  -20    9 o    3.023000      0.6546000       2.912000 0.9234000       3.135000      0.9282000     -0.2222000       1.309000
  1 1 1      11  -20   10 o    2.440000      0.6579000       2.766000 0.9648000       2.114000      0.8948000      0.6523000       1.316000
  1 1 1      11  -20   11 o    2.788000      0.6693000       2.195000 0.9097000       3.381000      0.9819000      -1.186000       1.339000
  1 1 1      11  -20   12 o    3.511000      0.6145000       3.951000 0.8198000       3.072000      0.9156000      0.8792000       1.229000
  1 1 1      11  -20   13 o    2.274000      0.6345000       2.194000 0.8992000       2.354000      0.8954000     -0.1600000       1.269000
  1 1 1      11  -20   14 o    2.432000      0.6562000       2.657000 0.9673000       2.208000      0.8870000      0.4486000       1.312000
  1 1 1      11  -20   15 o    2.301000      0.6038000       1.830000 0.8175000       2.773000      0.8887000     -0.9428000       1.208000
  1 1 1      11  -20   16 o    2.506000      0.6551000       2.624000 0.9358000       2.388000      0.9171000      0.2363000       1.310000
  1 1 1      11  -20   17 o    5.393000      0.4543000       4.559000 0.7351000       6.227000      0.5341000      -1.668000      0.9086000
  1 1 1      11  -20   18 o    3.087000      0.6079000       2.518000 0.9062000       3.655000      0.8106000      -1.138000       1.216000
  1 1 1      11  -20   19 o    5.291000      0.4615000       4.872000 0.7335000       5.709000      0.5603000     -0.8372000      0.9230000
  1 1 1      11  -20   20 o    2.537000      0.6772000       2.498000 0.9820000       2.576000      0.9328000     -0.7818000E-01   1.354000
  1 1 1      11  -20   21 o    4.403000      0.5885000       3.707000 1.010000       5.098000      0.6049000      -1.390000       1.177000
  1 1 1      11  -20   22 o    3.389000      0.6628000       2.820000 1.040000       3.959000      0.8223000      -1.139000       1.326000
  1 1 1      11  -20   23 o    3.298000      0.7132000       4.284000 1.058000       2.313000      0.9565000       1.970000       1.426000
  1 1 1      11  -19    0 o    5.806000      0.4561000       5.806000 0.4561000                  ?              ?              ?              ?
  1 1 1      11  -19    1 o    8.116000      0.3147000       8.669000 0.3814000       7.564000      0.5006000       1.105000      0.6293000
  1 1 1      11  -19    2 o    5.568000      0.6282000                  ?       ?   5.568000      0.6282000                  ?              ?
  1 1 1      11  -19    3 o    3.333000      0.5689000       2.604000 0.8209000       4.062000      0.7879000      -1.458000       1.138000
  1 1 1      11  -19    4 o    6.928000      0.3344000       7.709000 0.3881000       6.147000      0.5446000       1.563000      0.6688000
  1 1 1      11  -19    5 o    9.560000      0.3130000       9.505000 0.4063000       9.614000      0.4763000     -0.1082000      0.6260000
  1 1 1      11  -19    6 o    7.125000      0.3487000       6.538000 0.4726000       7.713000      0.5129000      -1.175000      0.6974000
  1 1 1      11  -19    7 o    3.285000      0.5676000       3.502000 0.7999000       3.067000      0.8055000      0.4344000       1.135000
  1 1 1      11  -19    8 o    4.348000      0.5215000       3.603000 0.8024000       5.094000      0.6664000      -1.491000       1.043000
  1 1 1      11  -19    9 o    4.556000      0.4785000       4.704000 0.6491000       4.409000      0.7031000      0.2952000      0.9570000
  1 1 1      11  -19   10 o    6.916000      0.3947000       6.391000 0.5594000       7.440000      0.5570000      -1.050000      0.7894000
  1 1 1      11  -19   11 o    3.458000      0.6615000       3.396000 0.9733000       3.520000      0.8962000     -0.1236000       1.323000
  1 1 1      11  -19   12 o    8.208000      0.3621000       7.582000 0.4892000       8.834000      0.5339000      -1.252000      0.7241000
  1 1 1      11  -19   13 o    3.356000      0.6179000       3.771000 0.8291000       2.941000      0.9165000      0.8300000       1.236000
  1 1 1      11  -19   14 o    4.200000      0.5347000       4.178000 0.7957000       4.222000      0.7145000     -0.4433000E-01   1.069000
  1 1 1      11  -19   15 o    2.786000      0.6340000       2.894000 0.8944000       2.677000      0.8989000      0.2166000       1.268000
  1 1 1      11  -19   16 o    2.864000      0.6283000       2.878000 0.8924000       2.850000      0.8847000      0.2750000E-01   1.257000
  1 1 1      11  -19   17 o    3.152000      0.5927000       3.656000 0.7861000       2.647000      0.8871000       1.009000       1.185000
  1 1 1      11  -19   18 o    2.714000      0.5940000       2.141000 0.8698000       3.287000      0.8093000      -1.145000       1.188000
  1 1 1      11  -19   19 o    2.636000      0.6145000       2.275000 0.8821000       2.997000      0.8558000     -0.7217000       1.229000
  1 1 1      11  -19   20 o    4.549000      0.5159000       4.334000 0.8242000       4.763000      0.6207000     -0.4286000       1.032000
  1 1 1      11  -19   21 o    7.804000      0.3588000       8.044000 0.5581000       7.563000      0.4511000      0.4807000      0.7177000
  1 1 1      11  -19   22 o    5.750000      0.4802000       4.867000 0.8193000       6.634000      0.5011000      -1.767000      0.9604000
  1 1 1      11  -19   23 o    2.140000      0.6194000       1.825000 0.8536000       2.455000      0.8977000     -0.6295000       1.239000
  1 1 1      11  -19   24 o    3.218000      0.7411000       3.828000 1.115000       2.608000      0.9762000       1.220000       1.482000
  1 1 1      11  -18    0 o    5.052000      0.4513000       5.052000 0.4513000                  ?              ?              ?              ?
  1 1 1      11  -18    1 o    9.349000      0.3572000       8.855000 0.5895000       9.844000      0.4036000     -0.9884000      0.7144000
  1 1 1      11  -18    2 o    8.572000      0.4601000                  ?       ?   8.572000      0.4601000                  ?              ?
  1 1 1      11  -18    3 o    9.825000      0.2834000       9.948000 0.3581000       9.703000      0.4393000      0.2450000      0.5667000
  1 1 1      11  -18    4 o    6.893000      0.3164000       7.431000 0.3859000       6.355000      0.5016000       1.076000      0.6329000
  1 1 1      11  -18    5 o    2.795000      0.5649000       3.237000 0.7460000       2.353000      0.8485000      0.8843000       1.130000
  1 1 1      11  -18    6 o    7.953000      0.3266000       7.929000 0.4306000       7.976000      0.4913000     -0.4721000E-01  0.6533000
  1 1 1      11  -18    7 o    6.967000      0.3409000       6.846000 0.4647000       7.087000      0.4989000     -0.2410000      0.6817000
  1 1 1      11  -18    8 o    2.505000      0.5204000       3.489000 0.7684000       1.522000      0.7019000       1.967000       1.041000
  1 1 1      11  -18    9 o    5.424000      0.3697000       5.435000 0.5083000       5.412000      0.5371000      0.2315000E-01  0.7395000
  1 1 1      11  -18   10 o    2.236000      0.6092000       2.267000 0.8885000       2.205000      0.8335000      0.6199000E-01   1.218000
  1 1 1      11  -18   11 o    4.640000      0.5231000       4.893000 0.7252000       4.386000      0.7540000      0.5073000       1.046000
  1 1 1      11  -18   12 o    4.864000      0.7439000       6.123000 0.5833000       3.605000       1.369000       2.518000       1.488000
  1 1 1      11  -18   13 o    2.171000      0.6068000       2.276000 0.8621000       2.066000      0.8544000      0.2102000       1.214000
  1 1 1      11  -18   14 o    2.917000      0.5534000       1.745000 0.7922000       4.088000      0.7728000      -2.343000       1.107000
  1 1 1      11  -18   15 o    3.254000      0.5907000       3.459000 0.7969000       3.049000      0.8720000      0.4102000       1.181000
  1 1 1      11  -18   16 o    3.985000      0.4951000       3.412000 0.7923000       4.557000      0.5941000      -1.145000      0.9903000
  1 1 1      11  -18   17 o    1.837000      0.5450000       1.886000 0.7781000       1.787000      0.7635000      0.9816000E-01   1.090000
  1 1 1      11  -18   18 o    2.388000      0.5525000       3.027000 0.8124000       1.749000      0.7490000       1.278000       1.105000
  1 1 1      11  -18   19 o    2.489000      0.5923000       2.157000 0.8394000       2.821000      0.8360000     -0.6644000       1.185000
  1 1 1      11  -18   20 o    5.294000      0.4181000       6.133000 0.5481000       4.455000      0.6314000       1.678000      0.8361000
  1 1 1      11  -18   21 o    5.067000      0.4808000       4.178000 0.8259000       5.957000      0.4926000      -1.779000      0.9616000
  1 1 1      11  -18   22 o    3.246000      0.6322000       2.914000 0.9872000       3.579000      0.7902000     -0.6655000       1.264000
  1 1 1      11  -18   23 o    2.338000      0.6347000       2.194000 0.9319000       2.481000      0.8620000     -0.2873000       1.269000
  1 1 1      11  -18   24 o    1.803000      0.5625000       1.604000 0.7683000       2.002000      0.8217000     -0.3978000       1.125000
  1 1 1      11  -18   25 o    3.531000      0.6809000       3.105000 1.058000       3.957000      0.8570000     -0.8523000       1.362000
  1 1 1      11  -17    0 o    4.411000      0.3906000       4.787000 0.4301000       4.036000      0.6520000      0.7514000      0.7811000
  1 1 1      11  -17    1 o    1.972000      0.5114000       1.492000 0.6558000       2.451000      0.7849000     -0.9597000       1.023000
  1 1 1      11  -17    2 o    11.50000      0.2473000       11.43000 0.3268000       11.57000      0.3711000     -0.1416000      0.4945000
  1 1 1      11  -17    3 o    2.959000      0.5698000       2.880000 0.7544000       3.037000      0.8541000     -0.1568000       1.140000
  1 1 1      11  -17    4 o    2.321000      0.5630000       1.876000 0.7350000       2.767000      0.8529000     -0.8914000       1.126000
  1 1 1      11  -17    5 o    7.176000      0.2841000       7.459000 0.3551000       6.892000      0.4437000      0.5670000      0.5683000
  1 1 1      11  -17    6 o    14.78000      0.3411000       15.12000 0.4793000       14.44000      0.4854000      0.6735000      0.6821000
  1 1 1      11  -17    7 o    1.881000      0.5521000       1.808000 0.7508000       1.953000      0.8097000     -0.1448000       1.104000
  1 1 1      11  -17    8 o    4.519000      0.4255000       4.442000 0.5906000       4.596000      0.6128000     -0.1548000      0.8511000
  1 1 1      11  -17    9 o    5.307000      0.3912000       5.598000 0.5090000       5.016000      0.5941000      0.5826000      0.7823000
  1 1 1      11  -17   10 o    2.188000      0.5772000       2.773000 0.8955000       1.603000      0.7286000       1.170000       1.154000
  1 1 1      11  -17   11 o    3.787000      0.5642000       4.125000 0.8099000       3.450000      0.7858000      0.6745000       1.128000
  1 1 1      11  -17   12 o    6.159000      0.4381000       6.070000 0.6518000       6.248000      0.5855000     -0.1783000      0.8761000
  1 1 1      11  -17   13 o    2.614000      0.6400000       2.815000 0.8993000       2.412000      0.9108000      0.4029000       1.280000
  1 1 1      11  -17   14 o    2.462000      0.6172000       1.884000 0.8237000       3.039000      0.9195000      -1.155000       1.234000
  1 1 1      11  -17   15 o    2.177000      0.6011000       2.070000 0.8499000       2.283000      0.8503000     -0.2133000       1.202000
  1 1 1      11  -17   16 o    5.144000      0.3929000       4.533000 0.6167000       5.756000      0.4869000      -1.223000      0.7857000
  1 1 1      11  -17   17 o    5.326000      0.3437000       5.448000 0.4764000       5.204000      0.4954000      0.2439000      0.6873000
  1 1 1      11  -17   18 o    2.707000      0.8392000       3.118000 1.327000       2.295000       1.028000      0.8224000       1.678000
  1 1 1      11  -17   19 o    3.370000      0.9154000       2.799000 1.227000       3.941000       1.358000      -1.143000       1.831000
  1 1 1      11  -17   20 o    3.841000      0.9648000       3.032000 1.336000       4.650000       1.392000      -1.618000       1.930000
  1 1 1      11  -17   21 o    3.735000      0.9892000       3.306000 1.362000       4.165000       1.435000     -0.8597000       1.978000
  1 1 1      11  -17   22 o    2.913000      0.9124000       3.076000 1.337000       2.751000       1.242000      0.3253000       1.825000
  1 1 1      11  -17   24 o    3.140000      0.9813000       3.597000 1.536000       2.684000       1.221000      0.9129000       1.963000
  1 1 1      11  -17   25 o    4.330000       1.108000       4.213000 1.695000       4.447000       1.429000     -0.2333000       2.217000
  1 1 1      11  -17   26 o    3.820000       1.087000       4.222000 1.673000       3.417000       1.389000      0.8056000       2.174000
  1 1 1      11  -16    0 f    3.911000      0.4059000       4.473000 0.4423000       3.349000      0.6808000       1.124000      0.8119000
  1 1 1      11  -16    1 o    1.819000      0.5001000       1.893000 0.6766000       1.744000      0.7366000      0.1490000       1.000000
  1 1 1      11  -16    2 o    6.393000      0.2623000       6.665000 0.3293000       6.121000      0.4085000      0.5439000      0.5246000
  1 1 1      11  -16    3 o    7.138000      0.2694000       6.774000 0.3632000       7.502000      0.3980000     -0.7272000      0.5388000
  1 1 1      11  -16    4 o    5.863000      0.3182000       5.875000 0.3988000       5.850000      0.4959000      0.2502000E-01  0.6364000
  1 1 1      11  -16    5 o    8.967000      0.2672000       9.205000 0.3420000       8.730000      0.4107000      0.4748000      0.5344000
  1 1 1      11  -16    6 o    13.85000      0.2994000       13.54000 0.3702000       14.17000      0.4708000     -0.6230000      0.5989000
  1 1 1      11  -16    7 o    5.273000      0.3466000       5.071000 0.4663000       5.475000      0.5130000     -0.4036000      0.6933000
  1 1 1      11  -16    8 o    2.815000      0.5491000       3.270000 0.7288000       2.360000      0.8215000      0.9099000       1.098000
  1 1 1      11  -16    9 o    5.341000      0.3473000       5.394000 0.4782000       5.289000      0.5037000      0.1050000      0.6945000
  1 1 1      11  -16   10 o    4.059000      0.5143000       3.371000 0.7967000       4.747000      0.6507000      -1.377000       1.029000
  1 1 1      11  -16   11 o    3.162000      0.6539000       3.201000 0.9326000       3.122000      0.9170000      0.7840000E-01   1.308000
  1 1 1      11  -16   12 f    2.720000      0.6375000       3.242000 0.9454000       2.198000      0.8555000       1.044000       1.275000
  1 1 1      11  -16   13 o    4.883000      0.5177000       5.350000 0.7069000       4.417000      0.7566000      0.9331000       1.035000
  1 1 1      11  -16   14 o    3.230000      0.6463000       2.201000 0.9666000       4.260000      0.8582000      -2.059000       1.293000
  1 1 1      11  -16   15 o    2.073000      0.5583000       1.737000 0.7585000       2.410000      0.8195000     -0.6733000       1.117000
  1 1 1      11  -16   16 o    2.325000      0.5506000       1.720000 0.7520000       2.930000      0.8044000      -1.210000       1.101000
  1 1 1      11  -16   17 o    4.030000      0.4234000       3.824000 0.6436000       4.236000      0.5504000     -0.4117000      0.8469000
  1 1 1      11  -16   18 o    4.034000      0.3955000       4.629000 0.5237000       3.439000      0.5929000       1.189000      0.7911000
  1 1 1      11  -16   19 o    4.004000      0.3933000       4.274000 0.5733000       3.735000      0.5386000      0.5398000      0.7866000
  1 1 1      11  -16   20 o    3.129000      0.5105000       2.713000 0.8656000       3.546000      0.5415000     -0.8331000       1.021000
  1 1 1      11  -16   21 o    3.014000      0.5322000       2.921000 0.8585000       3.107000      0.6292000     -0.1861000       1.064000
  1 1 1      11  -16   22 o    8.594000      0.3013000       8.729000 0.4789000       8.460000      0.3658000      0.2689000      0.6026000
  1 1 1      11  -16   23 o    5.731000      0.4053000       5.234000 0.6970000       6.228000      0.4140000     -0.9938000      0.8107000
  1 1 1      11  -16   24 o    2.582000      0.6573000       3.049000 1.019000       2.115000      0.8301000      0.9343000       1.315000
  1 1 1      11  -16   25 o    2.120000      0.6327000       2.198000 0.9380000       2.042000      0.8492000      0.1567000       1.265000
  1 1 1      11  -16   26 o    2.832000      0.6753000       3.044000 1.006000       2.619000      0.9011000      0.4252000       1.351000
  1 1 1      11  -16   27 o    3.342000      0.6935000       3.088000 1.076000       3.597000      0.8757000     -0.5095000       1.387000
  1 1 1      11  -15    0 o    4.600000      0.2718000       4.560000 0.3573000       4.640000      0.4096000     -0.8035000E-01  0.5436000
  1 1 1      11  -15    1 o    3.596000      0.4703000       3.596000 0.4703000                  ?              ?              ?              ?
  1 1 1      11  -15    2 o    5.030000      0.2921000       5.230000 0.3750000       4.829000      0.4480000      0.4008000      0.5842000
  1 1 1      11  -15    3 o    6.966000      0.3620000                  ?       ?   6.966000      0.3620000                  ?              ?
  1 1 1      11  -15    4 o    4.283000      0.3619000       4.130000 0.4839000       4.436000      0.5383000     -0.3064000      0.7238000
  1 1 1      11  -15    5 o    5.597000      0.3140000       5.821000 0.4085000       5.373000      0.4769000      0.4476000      0.6280000
  1 1 1      11  -15    6 o    3.315000      0.4654000       2.715000 0.7366000       3.915000      0.5691000      -1.200000      0.9308000
  1 1 1      11  -15    7 o    1.798000      0.5112000       2.031000 0.7422000       1.565000      0.7031000      0.4666000       1.022000
  1 1 1      11  -15    8 o    3.842000      0.4458000       3.636000 0.6472000       4.047000      0.6132000     -0.4110000      0.8916000
  1 1 1      11  -15    9 o    2.348000      0.5294000       2.668000 0.7175000       2.028000      0.7787000      0.6400000       1.059000
  1 1 1      11  -15   10 o    5.551000      0.3455000       4.762000 0.5396000       6.340000      0.4316000      -1.579000      0.6910000
  1 1 1      11  -15   11 o    2.357000      0.5995000       2.252000 0.8753000       2.462000      0.8195000     -0.2097000       1.199000
  1 1 1      11  -15   12 o    1.757000      0.5515000       1.845000 0.8151000       1.669000      0.7432000      0.1763000       1.103000
  1 1 1      11  -15   13 o    1.962000      0.5669000       1.956000 0.8032000       1.968000      0.8003000     -0.1287000E-01   1.134000
  1 1 1      11  -15   14 o    5.819000      0.6853000       6.448000 0.6630000       5.189000       1.200000       1.259000       1.371000
  1 1 1      11  -15   15 o    3.847000      0.5718000       3.183000 0.8161000       4.511000      0.8010000      -1.328000       1.144000
  1 1 1      11  -15   16 o    2.342000      0.5567000       2.835000 0.7865000       1.848000      0.7881000      0.9866000       1.113000
  1 1 1      11  -15   17 o    4.681000      0.3652000       4.765000 0.5229000       4.598000      0.5100000      0.1673000      0.7305000
  1 1 1      11  -15   18 o    9.697000      0.2518000       10.06000 0.3613000       9.331000      0.3510000      0.7323000      0.5037000
  1 1 1      11  -15   19 o    4.741000      0.3320000       5.018000 0.4877000       4.464000      0.4505000      0.5542000      0.6639000
  1 1 1      11  -15   20 o    2.307000      0.5449000       2.477000 0.8447000       2.138000      0.6885000      0.3389000       1.090000
  1 1 1      11  -15   21 o    6.817000      0.2909000       7.163000 0.4419000       6.470000      0.3786000      0.6938000      0.5819000
  1 1 1      11  -15   22 o    2.934000      0.5655000       3.319000 0.8600000       2.549000      0.7345000      0.7706000       1.131000
  1 1 1      11  -15   23 f    4.062000      0.4656000       4.191000 0.7472000       3.932000      0.5557000      0.2592000      0.9312000
  1 1 1      11  -15   24 o    3.415000      0.6030000       3.079000 0.9933000       3.752000      0.6839000     -0.6733000       1.206000
  1 1 1      11  -15   25 f    3.294000      0.6824000       3.961000 1.044000       2.627000      0.8787000       1.334000       1.365000
  1 1 1      11  -15   26 o    3.288000      0.6408000       2.576000 1.032000       4.001000      0.7601000      -1.425000       1.282000
  1 1 1      11  -15   27 o    4.147000      0.5997000       3.750000 1.017000       4.544000      0.6364000     -0.7943000       1.199000
  1 1 1      11  -15   28 o    2.306000      0.6377000       1.878000 0.8714000       2.734000      0.9314000     -0.8564000       1.275000
  1 1 1      11  -14    0 o    3.717000      0.3114000       3.877000 0.3982000       3.558000      0.4788000      0.3190000      0.6228000
  1 1 1      11  -14    1 o    3.486000      0.4717000       3.486000 0.4717000                  ?              ?              ?              ?
  1 1 1      11  -14    2 o    4.234000      0.3964000       4.297000 0.4648000       4.172000      0.6423000      0.1253000      0.7928000
  1 1 1      11  -14    3 o    3.228000      0.7349000                  ?       ?   3.228000      0.7349000                  ?              ?
  1 1 1      11  -14    4 o    6.400000      0.2972000       6.593000 0.3862000       6.207000      0.4520000      0.3863000      0.5945000
  1 1 1      11  -14    5 o    3.514000      0.4072000       3.448000 0.5469000       3.580000      0.6034000     -0.1320000      0.8144000
  1 1 1      11  -14    6 o    9.533000      0.2349000       9.882000 0.3064000       9.184000      0.3562000      0.6972000      0.4698000
  1 1 1      11  -14    7 o    9.759000      0.2476000       9.845000 0.3248000       9.674000      0.3739000      0.1712000      0.4952000
  1 1 1      11  -14    8 o    3.199000       1.030000       3.003000 1.306000       3.394000       1.592000     -0.3904000       2.059000
  1 1 1      11  -14    9 o    4.794000       1.215000       3.087000 1.353000       6.502000       2.019000      -3.415000       2.430000
  1 1 1      11  -14   11 o    3.095000       1.007000       3.187000 1.391000       3.002000       1.458000      0.1849000       2.015000
  1 1 1      11  -14   12 o    2.959000      0.7774000       2.981000 1.315000       2.937000      0.8292000      0.4445000E-01   1.555000
  1 1 1      11  -14   13 o    5.467000      0.3519000       5.370000 0.5102000       5.564000      0.4847000     -0.1943000      0.7037000
  1 1 1      11  -14   14 o    12.63000      0.2637000       12.94000 0.3606000       12.32000      0.3848000      0.6151000      0.5274000
  1 1 1      11  -14   15 o    7.006000      0.2900000       7.301000 0.3830000       6.710000      0.4355000      0.5907000      0.5800000
  1 1 1      11  -14   16 o    5.488000      0.3046000       5.404000 0.4214000       5.572000      0.4399000     -0.1678000      0.6092000
  1 1 1      11  -14   17 o    7.268000      0.2380000       7.471000 0.3379000       7.065000      0.3352000      0.4061000      0.4760000
  1 1 1      11  -14   18 o    2.703000      0.4553000       2.697000 0.6523000       2.710000      0.6355000     -0.1284000E-01  0.9107000
  1 1 1      11  -14   19 o    2.813000      0.4457000       2.763000 0.6799000       2.863000      0.5764000     -0.1001000      0.8913000
  1 1 1      11  -14   20 o    9.269000      0.2487000       9.365000 0.3809000       9.173000      0.3200000      0.1920000      0.4975000
  1 1 1      11  -14   21 o    2.426000      0.4822000       1.945000 0.7642000       2.906000      0.5883000     -0.9614000      0.9644000
  1 1 1      11  -14   22 f    1.667000      0.4896000       2.003000 0.7859000       1.331000      0.5841000      0.6722000      0.9792000
  1 1 1      11  -14   23 o    7.255000      0.2934000       7.309000 0.4644000       7.200000      0.3587000      0.1093000      0.5868000
  1 1 1      11  -14   24 o    2.392000      0.5972000       2.363000 0.9049000       2.421000      0.7796000     -0.5778000E-01   1.194000
  1 1 1      11  -14   25 f    3.761000      0.5633000       3.404000 0.9539000       4.117000      0.5993000     -0.7127000       1.127000
  1 1 1      11  -14   26 f    2.797000      0.6251000       3.094000 0.9502000       2.500000      0.8125000      0.5937000       1.250000
  1 1 1      11  -14   27 o    2.087000      0.6005000       2.278000 0.9170000       1.896000      0.7755000      0.3822000       1.201000
  1 1 1      11  -14   28 o    2.104000      0.6026000       2.290000 0.9138000       1.919000      0.7859000      0.3713000       1.205000
  1 1 1      11  -14   29 o    2.401000      0.6171000       2.672000 0.9248000       2.131000      0.8174000      0.5408000       1.234000
  1 1 1      11  -13    0 o    4.599000      0.3875000       4.514000 0.4538000       4.685000      0.6284000     -0.1709000      0.7751000
  1 1 1      11  -13    1 o    10.41000      0.1929000       10.65000 0.2734000       10.16000      0.2722000      0.4907000      0.3858000
  1 1 1      11  -13    2 o    8.430000      0.1962000       8.441000 0.2695000       8.418000      0.2851000      0.2339000E-01  0.3923000
  1 1 1      11  -13    3 o    5.445000      0.2426000       5.006000 0.3476000       5.883000      0.3385000     -0.8773000      0.4852000
  1 1 1      11  -13    4 o    3.204000      0.5512000       3.197000 0.7753000       3.212000      0.7838000     -0.1518000E-01   1.102000
  1 1 1      11  -13    5 o    5.937000      0.4275000       5.462000 0.5710000       6.413000      0.6363000     -0.9509000      0.8549000
  1 1 1      11  -13    6 o    10.43000      0.4449000       10.76000 0.5139000       10.09000      0.7265000      0.6745000      0.8899000
  1 1 1      11  -13    7 o    3.105000      0.5924000       2.612000 1.027000       3.598000      0.5905000     -0.9855000       1.185000
  1 1 1      11  -13    8 o    1.736000      0.4902000       1.796000 0.6893000       1.676000      0.6973000      0.1207000      0.9805000
  1 1 1      11  -13    9 o    10.47000      0.2552000       10.34000 0.3429000       10.61000      0.3780000     -0.2665000      0.5104000
  1 1 1      11  -13   10 o    4.151000      0.3466000       3.926000 0.4992000       4.377000      0.4808000     -0.4508000      0.6931000
  1 1 1      11  -13   11 o    3.433000      0.4649000       4.101000 0.5692000       2.764000      0.7353000       1.337000      0.9298000
  1 1 1      11  -13   12 o    2.375000      0.5877000       2.154000 0.8347000       2.597000      0.8276000     -0.4422000       1.175000
  1 1 1      11  -13   13 o    3.387000      0.5118000       2.408000 0.8354000       4.366000      0.5915000      -1.958000       1.024000
  1 1 1      11  -13   14 o    4.291000      0.4312000       4.311000 0.5913000       4.272000      0.6279000      0.3867000E-01  0.8625000
  1 1 1      11  -13   15 o    8.150000      0.2528000       8.180000 0.3540000       8.120000      0.3610000      0.6094000E-01  0.5056000
  1 1 1      11  -13   16 o    6.913000      0.2528000       6.634000 0.3567000       7.192000      0.3584000     -0.5582000      0.5056000
  1 1 1      11  -13   17 o    4.093000      0.3059000       3.928000 0.4625000       4.258000      0.4006000     -0.3303000      0.6118000
  1 1 1      11  -13   18 o    1.862000      0.4477000       2.175000 0.6450000       1.549000      0.6210000      0.6260000      0.8954000
  1 1 1      11  -13   19 f    2.992000      0.3887000       3.267000 0.5354000       2.718000      0.5636000      0.5487000      0.7774000
  1 1 1      11  -13   20 o    4.740000      0.2775000       4.626000 0.4395000       4.855000      0.3391000     -0.2296000      0.5550000
  1 1 1      11  -13   21 o    1.517000      0.4574000       1.564000 0.6955000       1.471000      0.5943000      0.9303000E-01  0.9148000
  1 1 1      11  -13   22 o    4.386000      0.3326000       4.714000 0.5197000       4.058000      0.4153000      0.6559000      0.6652000
  1 1 1      11  -13   23 o    4.135000      0.4096000       4.231000 0.6630000       4.039000      0.4809000      0.1913000      0.8191000
  1 1 1      11  -13   24 o    1.529000      0.4892000       1.509000 0.7050000       1.549000      0.6784000     -0.4002000E-01  0.9784000
  1 1 1      11  -13   25 o    2.406000      0.6028000       2.395000 0.9369000       2.418000      0.7588000     -0.2329000E-01   1.206000
  1 1 1      11  -13   26 o    2.100000      0.5584000       2.720000 0.9007000       1.480000      0.6605000       1.240000       1.117000
  1 1 1      11  -13   27 o    3.683000      0.5274000       3.234000 0.8656000       4.132000      0.6028000     -0.8980000       1.055000
  1 1 1      11  -13   28 o    2.014000      0.5681000       1.889000 0.8110000       2.139000      0.7958000     -0.2506000       1.136000
  1 1 1      11  -13   29 o    3.602000      0.4941000       3.227000 0.7862000       3.978000      0.5986000     -0.7511000      0.9882000
  1 1 1      11  -13   30 f    2.356000      0.5971000       2.669000 0.8386000       2.042000      0.8502000      0.6272000       1.194000
  1 1 1      11  -12    0 o    16.65000      0.2517000       16.66000 0.3533000       16.64000      0.3586000      0.1489000E-01  0.5034000
  1 1 1      11  -12    1 o    8.024000      0.2596000       7.808000 0.3720000       8.240000      0.3621000     -0.4316000      0.5191000
  1 1 1      11  -12    2 o    7.172000      0.2625000       7.336000 0.3717000       7.008000      0.3707000      0.3283000      0.5249000
  1 1 1      11  -12    3 o    1.886000      0.5146000       1.884000 0.7294000       1.888000      0.7260000     -0.3818000E-02   1.029000
  1 1 1      11  -12    4 o    7.826000      0.2015000       7.880000 0.2705000       7.773000      0.2988000      0.1065000      0.4030000
  1 1 1      11  -12    5 o    5.640000      0.2243000       5.663000 0.2978000       5.616000      0.3354000      0.4728000E-01  0.4485000
  1 1 1      11  -12    6 o    3.480000      0.3814000       4.076000 0.3743000       2.884000      0.6645000       1.192000      0.7627000
  1 1 1      11  -12    7 o    10.23000      0.2198000       10.49000 0.2888000       9.971000      0.3316000      0.5189000      0.4397000
  1 1 1      11  -12    8 o    8.117000      0.2298000       8.263000 0.2996000       7.971000      0.3485000      0.2925000      0.4596000
  1 1 1      11  -12    9 o    10.10000      0.2476000       10.03000 0.3394000       10.18000      0.3606000     -0.1514000      0.4952000
  1 1 1      11  -12   10 o    5.042000      0.2875000       5.207000 0.3942000       4.877000      0.4186000      0.3299000      0.5750000
  1 1 1      11  -12   11 o    5.498000      0.2808000       5.240000 0.4100000       5.757000      0.3839000     -0.5169000      0.5617000
  1 1 1      11  -12   12 o    8.598000      0.2670000       8.296000 0.3779000       8.900000      0.3773000     -0.6037000      0.5340000
  1 1 1      11  -12   13 o    3.772000      0.4567000       3.573000 0.6924000       3.971000      0.5959000     -0.3984000      0.9135000
  1 1 1      11  -12   14 o    2.232000      0.5051000       3.004000 0.7502000       1.460000      0.6766000       1.544000       1.010000
  1 1 1      11  -12   15 o    13.04000      0.3000000       12.58000 0.3394000       13.50000      0.4948000     -0.9272000      0.6000000
  1 1 1      11  -12   16 o    6.880000      0.2396000       6.817000 0.3312000       6.943000      0.3464000     -0.1261000      0.4793000
  1 1 1      11  -12   17 o    6.689000      0.2156000       6.451000 0.3165000       6.927000      0.2929000     -0.4757000      0.4312000
  1 1 1      11  -12   18 o    3.495000      0.3084000       3.362000 0.4451000       3.629000      0.4271000     -0.2668000      0.6169000
  1 1 1      11  -12   19 o    9.228000      0.2288000       9.482000 0.3407000       8.974000      0.3055000      0.5085000      0.4576000
  1 1 1      11  -12   20 o    6.077000      0.2367000       6.186000 0.3660000       5.969000      0.3003000      0.2171000      0.4734000
  1 1 1      11  -12   21 o    5.356000      0.2697000       5.443000 0.4265000       5.268000      0.3303000      0.1754000      0.5394000
  1 1 1      11  -12   22 o    5.447000      0.2905000       5.762000 0.4466000       5.132000      0.3717000      0.6298000      0.5810000
  1 1 1      11  -12   23 o    3.922000      0.4367000       3.691000 0.7597000       4.153000      0.4311000     -0.4625000      0.8735000
  1 1 1      11  -12   24 o    6.159000      0.3294000       5.942000 0.5462000       6.377000      0.3682000     -0.4342000      0.6587000
  1 1 1      11  -12   25 o    5.042000      0.3427000       5.142000 0.5462000       4.941000      0.4140000      0.2005000      0.6854000
  1 1 1      11  -12   26 o    2.992000      0.5315000       2.486000 0.8841000       3.497000      0.5901000      -1.011000       1.063000
  1 1 1      11  -12   27 o    3.019000      0.5473000       3.099000 0.8427000       2.939000      0.6984000      0.1604000       1.095000
  1 1 1      11  -12   28 o    7.994000      0.3185000       8.047000 0.5381000       7.941000      0.3408000      0.1059000      0.6369000
  1 1 1      11  -12   29 o    3.880000      0.4352000       3.877000 0.6567000       3.882000      0.5713000     -0.5626000E-02  0.8704000
  1 1 1      11  -12   30 o    2.306000      0.8047000       2.306000 0.8047000                  ?              ?              ?              ?
  1 1 1      11  -12   31 o    1.936000      0.5782000       1.854000 0.8524000       2.018000      0.7815000     -0.1638000       1.156000
  1 1 1      11  -11    0 o    4.323000      0.3154000       3.991000 0.4807000       4.654000      0.4084000     -0.6633000      0.6308000
  1 1 1      11  -11    1 o    8.333000      0.1825000       8.290000 0.2528000       8.375000      0.2633000     -0.8507000E-01  0.3650000
  1 1 1      11  -11    2 o    3.947000      0.3496000       3.947000 0.3496000                  ?              ?              ?              ?
  1 1 1      11  -11    3 o    6.662000      0.2181000       6.462000 0.3443000       6.863000      0.2679000     -0.4018000      0.4362000
  1 1 1      11  -11    4 o    9.555000      0.2744000                  ?       ?   9.555000      0.2744000                  ?              ?
  1 1 1      11  -11    5 f    2.369000      0.3814000       1.579000 0.5912000       3.159000      0.4821000      -1.580000      0.7629000
  1 1 1      11  -11    6 o    5.119000      0.2241000       5.072000 0.2967000       5.166000      0.3358000     -0.9364000E-01  0.4481000
  1 1 1      11  -11    7 o    11.15000      0.2191000       11.41000 0.2950000       10.89000      0.3240000      0.5210000      0.4382000
  1 1 1      11  -11    8 f    8.788000      0.2165000       8.781000 0.2767000       8.796000      0.3330000     -0.1450000E-01  0.4330000
  1 1 1      11  -11    9 o    10.30000      0.2434000       10.21000 0.3171000       10.40000      0.3692000     -0.1935000      0.4867000
  1 1 1      11  -11   10 o    1.264000      0.4097000       1.147000 0.5378000       1.381000      0.6182000     -0.2333000      0.8194000
  1 1 1      11  -11   11 o    3.768000      0.3621000       3.356000 0.5384000       4.179000      0.4843000     -0.8227000      0.7242000
  1 1 1      11  -11   12 o    8.498000      0.2541000       8.543000 0.3596000       8.453000      0.3592000      0.8981000E-01  0.5083000
  1 1 1      11  -11   13 o    2.873000      0.5297000       3.516000 0.6968000       2.231000      0.7980000       1.285000       1.059000
  1 1 1      11  -11   14 o    5.643000      0.2773000       5.628000 0.3882000       5.659000      0.3960000     -0.3128000E-01  0.5546000
  1 1 1      11  -11   15 o    5.213000      0.2880000       5.366000 0.3947000       5.061000      0.4196000      0.3050000      0.5761000
  1 1 1      11  -11   16 o    7.170000      0.2255000       7.123000 0.3055000       7.216000      0.3319000     -0.9274000E-01  0.4511000
  1 1 1      11  -11   17 o    7.893000      0.2017000       7.771000 0.2939000       8.015000      0.2762000     -0.2443000      0.4033000
  1 1 1      11  -11   18 o    1.758000      0.3973000       2.303000 0.5929000       1.212000      0.5289000       1.091000      0.7946000
  1 1 1      11  -11   19 o    6.295000      0.2167000       6.630000 0.3280000       5.961000      0.2834000      0.6691000      0.4334000
  1 1 1      11  -11   20 o    3.980000      0.2816000       4.245000 0.4299000       3.716000      0.3637000      0.5288000      0.5631000
  1 1 1      11  -11   21 f    5.414000      0.2512000       5.415000 0.4035000       5.413000      0.2992000      0.1131000E-02  0.5023000
  1 1 1      11  -11   22 o    1.545000      0.4591000       1.482000 0.6599000       1.607000      0.6384000     -0.1250000      0.9181000
  1 1 1      11  -11   23 o    1.854000      0.5205000       2.079000 0.8017000       1.628000      0.6641000      0.4515000       1.041000
  1 1 1      11  -11   24 o    9.127000      0.2926000       9.305000 0.4564000       8.949000      0.3662000      0.3559000      0.5851000
  1 1 1      11  -11   25 o    5.295000      0.3809000       4.917000 0.6727000       5.673000      0.3574000     -0.7554000      0.7617000
  1 1 1      11  -11   26 o    2.549000      0.4919000       1.787000 0.7716000       3.310000      0.6103000      -1.523000      0.9837000
  1 1 1      11  -11   27 o    1.715000      0.5149000       1.912000 0.7971000       1.517000      0.6520000      0.3951000       1.030000
  1 1 1      11  -11   28 o    4.624000      0.3480000       4.878000 0.5257000       4.369000      0.4560000      0.5090000      0.6960000
  1 1 1      11  -11   29 o    2.529000      0.5008000       1.975000 0.7745000       3.083000      0.6353000      -1.109000       1.002000
  1 1 1      11  -11   30 o    1.923000      0.5266000       1.831000 0.7494000       2.015000      0.7399000     -0.1841000       1.053000
  1 1 1      11  -11   31 o    1.752000      0.5044000       1.542000 0.6783000       1.962000      0.7466000     -0.4195000       1.009000
  1 1 1      11  -10    0 o    2.955000      0.3064000       2.599000 0.4759000       3.312000      0.3862000     -0.7123000      0.6129000
  1 1 1      11  -10    1 o    3.588000      0.2569000       3.698000 0.3476000       3.478000      0.3782000      0.2197000      0.5137000
  1 1 1      11  -10    2 o    3.724000      0.3366000       3.724000 0.3366000                  ?              ?              ?              ?
  1 1 1      11  -10    3 o    5.939000      0.1886000       5.888000 0.2616000       5.990000      0.2717000     -0.1026000      0.3772000
  1 1 1      11  -10    4 o    3.249000      0.3841000                  ?       ?   3.249000      0.3841000                  ?              ?
  1 1 1      11  -10    5 o    3.550000      0.2768000       3.912000 0.3303000       3.187000      0.4443000      0.7248000      0.5537000
  1 1 1      11  -10    6 o    2.312000      0.3961000       2.232000 0.5339000       2.391000      0.5851000     -0.1598000      0.7921000
  1 1 1      11  -10    7 f    7.826000      0.1908000       7.721000 0.2504000       7.932000      0.2880000     -0.2111000      0.3817000
  1 1 1      11  -10    8 f    8.789000      0.2060000       8.795000 0.2714000       8.784000      0.3101000      0.1091000E-01  0.4121000
  1 1 1      11  -10    9 o    5.453000      0.2362000       5.431000 0.3178000       5.475000      0.3496000     -0.4397000E-01  0.4724000
  1 1 1      11  -10   10 o    6.046000      0.2398000       6.130000 0.3194000       5.962000      0.3577000      0.1676000      0.4796000
  1 1 1      11  -10   11 o    12.74000      0.2768000       12.78000 0.3919000       12.70000      0.3909000      0.8236000E-01  0.5536000
  1 1 1      11  -10   12 o    9.995000      0.2412000       9.896000 0.3289000       10.09000      0.3528000     -0.1985000      0.4823000
  1 1 1      11  -10   13 o    10.41000      0.2714000       10.48000 0.3874000       10.33000      0.3800000      0.1487000      0.5427000
  1 1 1      11  -10   14 f    11.60000      0.2243000       11.73000 0.3010000       11.47000      0.3326000      0.2552000      0.4486000
  1 1 1      11  -10   15 o    6.553000      0.2242000       6.409000 0.3184000       6.697000      0.3156000     -0.2880000      0.4483000
  1 1 1      11  -10   16 o    7.731000      0.2075000       7.444000 0.2970000       8.018000      0.2899000     -0.5745000      0.4150000
  1 1 1      11  -10   17 o    12.54000      0.2323000       12.54000 0.3499000       12.54000      0.3056000      0.9075000E-02  0.4646000
  1 1 1      11  -10   18 o    3.077000      0.3107000       2.946000 0.4881000       3.207000      0.3846000     -0.2613000      0.6214000
  1 1 1      11  -10   19 o    1.814000      0.3992000       1.503000 0.6074000       2.124000      0.5181000     -0.6207000      0.7984000
  1 1 1      11  -10   20 o    5.897000      0.2238000       5.899000 0.3443000       5.894000      0.2859000      0.5044000E-02  0.4476000
  1 1 1      11  -10   21 o    3.021000      0.3966000       2.456000 0.6792000       3.586000      0.4098000      -1.130000      0.7933000
  1 1 1      11  -10   22 o    4.620000      0.3103000       5.016000 0.4643000       4.224000      0.4117000      0.7924000      0.6205000
  1 1 1      11  -10   23 o    4.069000      0.3893000       4.247000 0.6371000       3.890000      0.4475000      0.3570000      0.7785000
  1 1 1      11  -10   24 o    3.739000      0.5940000       2.873000 0.8378000       4.606000      0.8423000      -1.733000       1.188000
  1 1 1      11  -10   25 o    4.860000      0.3310000       4.599000 0.5629000       5.121000      0.3482000     -0.5226000      0.6619000
  1 1 1      11  -10   26 o    4.657000      0.3435000       4.181000 0.5803000       5.134000      0.3678000     -0.9536000      0.6870000
  1 1 1      11  -10   27 o    2.838000      0.4800000       2.604000 0.7855000       3.073000      0.5520000     -0.4691000      0.9600000
  1 1 1      11  -10   28 o    1.602000      0.4797000       1.582000 0.6977000       1.623000      0.6585000     -0.4139000E-01  0.9594000
  1 1 1      11  -10   29 o    4.838000      0.3107000       4.478000 0.4910000       5.197000      0.3807000     -0.7192000      0.6213000
  1 1 1      11  -10   30 o    1.760000      0.4988000       1.890000 0.7294000       1.630000      0.6808000      0.2597000      0.9977000
  1 1 1      11  -10   31 o    3.065000      0.4622000       3.815000 0.5584000       2.316000      0.7367000       1.499000      0.9244000
  1 1 1      11  -10   32 o    5.663000      0.3273000       5.446000 0.5379000       5.879000      0.3731000     -0.4333000      0.6547000
  1 1 1      11   -9    0 o    8.092000      0.1788000       8.190000 0.2506000       7.994000      0.2551000      0.1958000      0.3576000
  1 1 1      11   -9    1 o    11.83000      0.1976000       11.94000 0.2777000       11.72000      0.2811000      0.2174000      0.3951000
  1 1 1      11   -9    2 o    4.933000      0.1912000       5.092000 0.2606000       4.773000      0.2798000      0.3189000      0.3824000
  1 1 1      11   -9    3 o    7.201000      0.1693000       7.129000 0.2353000       7.274000      0.2436000     -0.1446000      0.3387000
  1 1 1      11   -9    4 o    6.659000      0.1734000       6.424000 0.2448000       6.894000      0.2458000     -0.4702000      0.3469000
  1 1 1      11   -9    5 o    8.708000      0.1687000       8.895000 0.2375000       8.522000      0.2396000      0.3733000      0.3373000
  1 1 1      11   -9    6 o    1.105000      0.3501000       1.161000 0.5024000       1.050000      0.4877000      0.1108000      0.7002000
  1 1 1      11   -9    7 o    6.770000      0.1799000       7.090000 0.2400000       6.449000      0.2679000      0.6406000      0.3597000
  1 1 1      11   -9    8 o    6.444000      0.1955000       6.503000 0.2539000       6.386000      0.2973000      0.1176000      0.3909000
  1 1 1      11   -9    9 o    2.173000      0.4110000       2.082000 0.5393000       2.265000      0.6203000     -0.1829000      0.8220000
  1 1 1      11   -9   10 o    7.232000      0.2146000       7.135000 0.2858000       7.330000      0.3203000     -0.1950000      0.4293000
  1 1 1      11   -9   11 o    11.15000      0.2434000       10.80000 0.3187000       11.50000      0.3679000     -0.6986000      0.4867000
  1 1 1      11   -9   12 o    2.194000      0.4367000       2.198000 0.6291000       2.190000      0.6058000      0.7730000E-02  0.8733000
  1 1 1      11   -9   13 o    5.136000      0.2752000       4.923000 0.4063000       5.349000      0.3714000     -0.4253000      0.5505000
  1 1 1      11   -9   14 o    6.250000      0.2274000       6.195000 0.3122000       6.306000      0.3308000     -0.1116000      0.4548000
  1 1 1      11   -9   15 o    8.617000      0.2325000       8.405000 0.2729000       8.828000      0.3764000     -0.4229000      0.4649000
  1 1 1      11   -9   16 o    9.505000      0.2026000       9.175000 0.2951000       9.835000      0.2775000     -0.6605000      0.4051000
  1 1 1      11   -9   17 f    13.07000      0.2458000       13.40000 0.3872000       12.73000      0.3029000      0.6704000      0.4916000
  1 1 1      11   -9   18 o    4.584000      0.6465000       4.851000 0.3378000       4.316000       1.248000      0.5357000       1.293000
  1 1 1      11   -9   19 o    9.513000      0.2178000       9.666000 0.3236000       9.359000      0.2915000      0.3075000      0.4355000
  1 1 1      11   -9   20 o    8.064000      0.2175000       8.009000 0.3294000       8.119000      0.2842000     -0.1093000      0.4350000
  1 1 1      11   -9   21 o    5.937000      0.2474000       5.775000 0.3939000       6.098000      0.2995000     -0.3227000      0.4948000
  1 1 1      11   -9   22 o    2.928000      0.4174000       2.790000 0.7200000       3.067000      0.4224000     -0.2763000      0.8347000
  1 1 1      11   -9   23 o    4.660000      0.3031000       5.119000 0.4608000       4.202000      0.3940000      0.9173000      0.6063000
  1 1 1      11   -9   24 o    3.835000      0.3688000       4.661000 0.5400000       3.010000      0.5024000       1.651000      0.7376000
  1 1 1      11   -9   25 o    10.37000      0.2627000       10.47000 0.4456000       10.27000      0.2786000      0.2065000      0.5255000
  1 1 1      11   -9   26 o    5.049000      0.2722000       4.587000 0.4528000       5.512000      0.3022000     -0.9257000      0.5444000
  1 1 1      11   -9   27 o    1.572000      0.4506000       1.935000 0.7155000       1.208000      0.5479000      0.7274000      0.9011000
  1 1 1      11   -9   28 o    4.667000      0.2726000       4.616000 0.4139000       4.719000      0.3548000     -0.1030000      0.5451000
  1 1 1      11   -9   29 o    7.087000      0.2194000       6.820000 0.3228000       7.354000      0.2970000     -0.5345000      0.4387000
  1 1 1      11   -9   30 o    4.964000      0.2862000       4.739000 0.4278000       5.189000      0.3802000     -0.4500000      0.5724000
  1 1 1      11   -9   31 o    5.832000      0.3316000       6.125000 0.3641000       5.540000      0.5544000      0.5847000      0.6632000
  1 1 1      11   -9   32 o    2.376000      0.5147000       2.615000 0.7184000       2.136000      0.7373000      0.4789000       1.029000
  1 1 1      11   -8    0 o    6.365000      0.1785000       6.017000 0.2586000       6.713000      0.2461000     -0.6957000      0.3570000
  1 1 1      11   -8    1 f    8.745000      0.1764000       8.732000 0.2464000       8.758000      0.2524000     -0.2557000E-01  0.3528000
  1 1 1      11   -8    2 o    4.956000      0.1891000       5.067000 0.2614000       4.845000      0.2733000      0.2214000      0.3782000
  1 1 1      11   -8    3 o    5.967000      0.1674000       6.211000 0.2296000       5.723000      0.2437000      0.4888000      0.3348000
  1 1 1      11   -8    4 o    4.249000      0.1955000       4.295000 0.2693000       4.202000      0.2835000      0.9262000E-01  0.3910000
  1 1 1      11   -8    5 o    2.043000      0.3411000       1.450000 0.5314000       2.635000      0.4278000      -1.185000      0.6823000
  1 1 1      11   -8    6 o    6.381000      0.1620000       6.340000 0.2237000       6.422000      0.2345000     -0.8196000E-01  0.3241000
  1 1 1      11   -8    7 o    3.288000      0.2601000       3.386000 0.3278000       3.191000      0.4040000      0.1950000      0.5202000
  1 1 1      11   -8    8 o    7.637000      0.1735000       7.805000 0.2316000       7.469000      0.2584000      0.3364000      0.3470000
  1 1 1      11   -8    9 o    7.080000      0.1912000       7.148000 0.2474000       7.011000      0.2915000      0.1365000      0.3823000
  1 1 1      11   -8   10 o    13.43000      0.2378000       13.53000 0.3170000       13.33000      0.3547000      0.1997000      0.4757000
  1 1 1      11   -8   11 o    5.946000      0.2143000       5.543000 0.2966000       6.349000      0.3093000     -0.8066000      0.4285000
  1 1 1      11   -8   12 o    6.930000      0.2841000       6.930000 0.2841000                  ?              ?              ?              ?
  1 1 1      11   -8   13 o    4.707000      0.2496000       4.626000 0.3593000       4.787000      0.3467000     -0.1610000      0.4993000
  1 1 1      11   -8   14 f    1.601000      0.4406000       1.807000 0.6426000       1.394000      0.6030000      0.4129000      0.8812000
  1 1 1      11   -8   15 o    3.134000      0.4966000       3.605000 0.7241000       2.664000      0.6798000      0.9401000      0.9932000
  1 1 1      11   -8   16 o    5.104000      0.5577000       5.347000 0.9442000       4.862000      0.5938000      0.4849000       1.115000
  1 1 1      11   -8   17 o    2.766000      0.8131000       3.193000 1.344000       2.340000      0.9156000      0.8529000       1.626000
  1 1 1      11   -8   18 o    11.94000      0.6002000       11.08000 1.061000       12.79000      0.5618000      -1.714000       1.200000
  1 1 1      11   -8   19 o    7.500000      0.9625000       6.090000 1.771000       8.911000      0.7545000      -2.820000       1.925000
  1 1 1      11   -8   21 o    2.548000      0.8060000       2.107000 0.9898000       2.988000       1.272000     -0.8810000       1.612000
  1 1 1      11   -8   22 o    6.438000      0.9453000                  ?       ?   6.438000      0.9453000                  ?              ?
  1 1 1      11   -8   23 o    3.110000      0.6353000       2.144000 1.005000       4.075000      0.7775000      -1.930000       1.271000
  1 1 1      11   -8   24 f    6.540000      0.4613000       6.137000 0.7963000       6.944000      0.4660000     -0.8077000      0.9226000
  1 1 1      11   -8   25 o    4.817000      0.3617000       4.516000 0.5687000       5.119000      0.4470000     -0.6023000      0.7233000
  1 1 1      11   -8   26 o    5.550000      0.2268000       5.535000 0.3580000       5.565000      0.2786000     -0.3028000E-01  0.4536000
  1 1 1      11   -8   27 o    6.367000      0.1969000       6.506000 0.2868000       6.228000      0.2699000      0.2780000      0.3938000
  1 1 1      11   -8   28 o    8.975000      0.1908000       8.786000 0.2861000       9.163000      0.2524000     -0.3764000      0.3816000
  1 1 1      11   -8   29 o    1.827000      0.4683000       2.181000 0.7069000       1.473000      0.6143000      0.7081000      0.9366000
  1 1 1      11   -8   30 o    2.823000      0.4430000       3.408000 0.5538000       2.238000      0.6915000       1.170000      0.8859000
  1 1 1      11   -8   31 o    4.470000      0.4408000       4.470000 0.4408000                  ?              ?              ?              ?
  1 1 1      11   -8   32 o    2.321000      0.5042000       2.597000 0.7027000       2.045000      0.7232000      0.5517000       1.008000
  1 1 1      11   -7    0 o    6.500000      0.1773000       6.509000 0.2494000       6.491000      0.2521000      0.1849000E-01  0.3547000
  1 1 1      11   -7    1 o    6.634000      0.1729000       6.583000 0.2423000       6.684000      0.2466000     -0.1010000      0.3457000
  1 1 1      11   -7    2 o    1.638000      0.3679000       1.959000 0.5175000       1.318000      0.5231000      0.6408000      0.7358000
  1 1 1      11   -7    3 o    7.799000      0.2312000       7.799000 0.2312000                  ?              ?              ?              ?
  1 1 1      11   -7    4 o    4.474000      0.1809000       4.587000 0.2520000       4.361000      0.2595000      0.2254000      0.3618000
  1 1 1      11   -7    5 o    3.107000      0.3276000                  ?       ?   3.107000      0.3276000                  ?              ?
  1 1 1      11   -7    6 o    7.402000      0.1577000       7.375000 0.2188000       7.428000      0.2272000     -0.5366000E-01  0.3154000
  1 1 1      11   -7    7 o    8.621000      0.1605000       8.492000 0.2213000       8.751000      0.2326000     -0.2587000      0.3210000
  1 1 1      11   -7    8 o    8.443000      0.1661000       8.628000 0.2255000       8.259000      0.2438000      0.3687000      0.3321000
  1 1 1      11   -7    9 o    10.01000      0.1901000       10.11000 0.2496000       9.914000      0.2868000      0.1959000      0.3802000
  1 1 1      11   -7   10 f    13.95000      0.2883000       13.91000 0.4049000       13.99000      0.4105000     -0.7870000E-01  0.5765000
  1 1 1      11   -7   11 o    4.718000      0.2181000       4.411000 0.3079000       5.024000      0.3089000     -0.6136000      0.4361000
  1 1 1      11   -7   12 o    10.61000      0.2372000       10.21000 0.3275000       11.01000      0.3432000     -0.8053000      0.4744000
  1 1 1      11   -7   13 f    5.507000      0.2146000       5.484000 0.3004000       5.530000      0.3066000     -0.4506000E-01  0.4292000
  1 1 1      11   -7   14 o    5.479000      0.2489000       5.498000 0.3693000       5.461000      0.3339000      0.3670000E-01  0.4979000
  1 1 1      11   -7   15 o    7.229000      0.2113000       6.935000 0.3575000       7.524000      0.2255000     -0.5888000      0.4226000
  1 1 1      11   -7   16 o    7.416000      0.1682000       7.634000 0.2464000       7.198000      0.2289000      0.4367000      0.3363000
  1 1 1      11   -7   17 o    7.624000      0.1723000       7.492000 0.2518000       7.757000      0.2352000     -0.2649000      0.3445000
  1 1 1      11   -7   18 o    16.58000      0.2921000       16.48000 0.4602000       16.69000      0.3600000     -0.2118000      0.5843000
  1 1 1      11   -7   19 o    6.251000      0.8769000       4.564000 1.734000       7.938000      0.2651000      -3.373000       1.754000
  1 1 1      11   -7   20 o    8.664000      0.2150000       8.833000 0.3212000       8.494000      0.2859000      0.3393000      0.4300000
  1 1 1      11   -7   21 o    7.977000      0.2184000       7.748000 0.3370000       8.207000      0.2778000     -0.4591000      0.4368000
  1 1 1      11   -7   22 o    6.856000      0.2194000       6.904000 0.3414000       6.807000      0.2756000      0.9769000E-01  0.4388000
  1 1 1      11   -7   23 o    2.807000      0.4241000       2.870000 0.6951000       2.745000      0.4860000      0.1247000      0.8482000
  1 1 1      11   -7   24 f    7.245000      0.2021000       7.134000 0.3222000       7.356000      0.2440000     -0.2219000      0.4042000
  1 1 1      11   -7   25 o    4.244000      0.2624000       4.369000 0.4217000       4.118000      0.3123000      0.2512000      0.5248000
  1 1 1      11   -7   26 o    1.692000      0.4587000       1.944000 0.6821000       1.440000      0.6136000      0.5037000      0.9175000
  1 1 1      11   -7   27 o    6.488000      0.2162000       6.715000 0.3125000       6.262000      0.2989000      0.4532000      0.4324000
  1 1 1      11   -7   28 o    6.612000      0.2265000       6.572000 0.3234000       6.652000      0.3173000     -0.8046000E-01  0.4531000
  1 1 1      11   -7   29 o    6.809000      0.2300000       6.735000 0.3239000       6.884000      0.3266000     -0.1489000      0.4600000
  1 1 1      11   -7   30 o    5.177000      0.2439000       4.957000 0.3596000       5.396000      0.3298000     -0.4382000      0.4879000
  1 1 1      11   -7   31 o    3.333000      0.3813000       3.425000 0.5254000       3.240000      0.5527000      0.1842000      0.7626000
  1 1 1      11   -7   32 o    3.680000      0.3488000       3.874000 0.4599000       3.487000      0.5246000      0.3869000      0.6977000
  1 1 1      11   -7   33 o    3.222000      0.5713000                  ?       ?   3.222000      0.5713000                  ?              ?
  1 1 1      11   -6    0 o    5.762000      0.1825000       5.703000 0.2553000       5.822000      0.2609000     -0.1193000      0.3650000
  1 1 1      11   -6    1 o    18.77000      0.2699000       18.59000 0.3775000       18.95000      0.3859000     -0.3566000      0.5399000
  1 1 1      11   -6    2 o    2.821000      0.2937000       3.153000 0.3588000       2.489000      0.4650000      0.6636000      0.5874000
  1 1 1      11   -6    3 o    9.442000      0.2402000       9.442000 0.2402000                  ?              ?              ?              ?
  1 1 1      11   -6    4 o    15.23000      0.2245000       15.20000 0.3168000       15.26000      0.3182000     -0.5462000E-01  0.4491000
  1 1 1      11   -6    5 o    14.59000      0.3052000                  ?       ?   14.59000      0.3052000                  ?              ?
  1 1 1      11   -6    6 o    9.915000      0.1664000       9.969000 0.2345000       9.860000      0.2361000      0.1090000      0.3328000
  1 1 1      11   -6    7 o    7.782000      0.2228000       7.834000 0.3030000       7.731000      0.3267000      0.1031000      0.4456000
  1 1 1      11   -6    8 o    6.771000      0.2110000       6.856000 0.2819000       6.686000      0.3141000      0.1698000      0.4220000
  1 1 1      11   -6    9 o    8.555000      0.2119000       8.555000 0.2119000                  ?              ?              ?              ?
  1 1 1      11   -6   10 f    2.179000      0.3544000       2.339000 0.4420000       2.020000      0.5542000      0.3196000      0.7088000
  1 1 1      11   -6   11 o    2.607000      0.3225000       2.055000 0.5011000       3.159000      0.4059000      -1.105000      0.6449000
  1 1 1      11   -6   12 f    6.782000      0.1972000       6.664000 0.2661000       6.901000      0.2911000     -0.2374000      0.3944000
  1 1 1      11   -6   13 o    2.361000      0.7057000       2.232000 0.9780000       2.491000       1.018000     -0.2589000       1.411000
  1 1 1      11   -6   14 o    2.464000      0.5604000       2.818000 0.6524000       2.110000      0.9114000      0.7077000       1.121000
  1 1 1      11   -6   15 o    8.368000      0.2064000       8.283000 0.2765000       8.454000      0.3066000     -0.1710000      0.4129000
  1 1 1      11   -6   16 o    12.20000      0.2469000       12.30000 0.3497000       12.09000      0.3488000      0.2131000      0.4939000
  1 1 1      11   -6   17 o    5.411000      0.1706000       5.114000 0.2543000       5.708000      0.2273000     -0.5935000      0.3411000
  1 1 1      11   -6   18 o    12.55000      0.2574000       12.71000 0.3717000       12.39000      0.3561000      0.3182000      0.5148000
  1 1 1      11   -6   19 o    1.695000      0.4092000       1.613000 0.6100000       1.777000      0.5457000     -0.1647000      0.8185000
  1 1 1      11   -6   20 o    5.720000      0.2160000       5.927000 0.3271000       5.514000      0.2821000      0.4136000      0.4319000
  1 1 1      11   -6   21 o    9.090000      0.2307000       8.972000 0.3422000       9.207000      0.3095000     -0.2344000      0.4614000
  1 1 1      11   -6   22 o    2.906000      0.4083000       3.515000 0.5842000       2.297000      0.5706000       1.218000      0.8166000
  1 1 1      11   -6   23 o    7.290000      0.2519000       7.303000 0.3891000       7.277000      0.3199000      0.2613000E-01  0.5037000
  1 1 1      11   -6   24 o    12.19000      0.2810000       12.57000 0.4201000       11.80000      0.3732000      0.7738000      0.5619000
  1 1 1      11   -6   25 o    7.712000      0.2720000       7.791000 0.4204000       7.634000      0.3452000      0.1577000      0.5440000
  1 1 1      11   -6   26 f    11.54000      0.1886000       11.64000 0.2755000       11.43000      0.2577000      0.2057000      0.3773000
  1 1 1      11   -6   27 o    11.03000      0.1886000       11.06000 0.2739000       11.01000      0.2592000      0.4860000E-01  0.3771000
  1 1 1      11   -6   28 o    5.603000      0.1890000       5.639000 0.2754000       5.567000      0.2591000      0.7172000E-01  0.3781000
  1 1 1      11   -6   29 o    8.989000      0.2001000       9.029000 0.3155000       8.949000      0.2463000      0.8028000E-01  0.4003000
  1 1 1      11   -6   30 o    5.483000      0.2498000       5.426000 0.3288000       5.541000      0.3762000     -0.1146000      0.4996000
  1 1 1      11   -6   31 o    4.656000      0.3213000       4.913000 0.4026000       4.400000      0.5010000      0.5131000      0.6427000
  1 1 1      11   -6   32 o    1.927000      0.5039000       1.891000 0.7121000       1.963000      0.7132000     -0.7267000E-01   1.008000
  1 1 1      11   -6   33 o    2.265000      0.4712000       1.611000 0.6645000       2.919000      0.6684000      -1.308000      0.9425000
  1 1 1      11   -6   34 o    7.919000      0.2563000       8.298000 0.4075000       7.539000      0.3111000      0.7590000      0.5126000
  1 1 1      11   -5    0 o    11.11000      0.1910000       10.90000 0.2661000       11.31000      0.2739000     -0.4098000      0.3819000
  1 1 1      11   -5    1 o    3.243000      0.2521000       3.258000 0.3582000       3.228000      0.3548000      0.2995000E-01  0.5042000
  1 1 1      11   -5    2 o    5.345000      0.1785000       5.342000 0.2431000       5.349000      0.2614000     -0.6737000E-02  0.3569000
  1 1 1      11   -5    3 f    5.650000      0.1719000       5.597000 0.2416000       5.702000      0.2445000     -0.1053000      0.3438000
  1 1 1      11   -5    4 o    7.688000      0.2386000       7.298000 0.3262000       8.078000      0.3483000     -0.7795000      0.4772000
  1 1 1      11   -5    5 o    12.86000      0.2837000       12.98000 0.3957000       12.74000      0.4066000      0.2336000      0.5674000
  1 1 1      11   -5    6 o    4.526000      0.2549000       4.148000 0.3577000       4.904000      0.3632000     -0.7563000      0.5098000
  1 1 1      11   -5    7 o    1.365000      0.3279000       1.088000 0.4501000       1.642000      0.4769000     -0.5533000      0.6558000
  1 1 1      11   -5    8 o    8.736000      0.1513000       8.750000 0.2111000       8.723000      0.2168000      0.2668000E-01  0.3026000
  1 1 1      11   -5    9 o    6.597000      0.2366000       6.820000 0.3053000       6.373000      0.3614000      0.4470000      0.4731000
  1 1 1      11   -5   10 o    6.302000      0.3495000       7.113000 0.3408000       5.491000      0.6103000       1.622000      0.6990000
  1 1 1      11   -5   11 o    2.497000      0.7230000       1.804000 0.7849000       3.189000       1.214000      -1.385000       1.446000
  1 1 1      11   -5   12 o    1.379000      0.3686000       1.251000 0.4868000       1.507000      0.5536000     -0.2561000      0.7372000
  1 1 1      11   -5   13 o    5.891000      0.1879000       5.780000 0.2553000       6.003000      0.2757000     -0.2228000      0.3757000
  1 1 1      11   -5   14 o    5.751000      0.1679000       5.694000 0.2201000       5.808000      0.2536000     -0.1139000      0.3358000
  1 1 1      11   -5   15 o    10.98000      0.1688000       11.01000 0.2377000       10.95000      0.2397000      0.5647000E-01  0.3375000
  1 1 1      11   -5   16 o    8.996000      0.1555000       8.911000 0.2256000       9.081000      0.2140000     -0.1699000      0.3110000
  1 1 1      11   -5   17 f    1.174000      0.3040000       1.531000 0.4838000      0.8170000      0.3683000      0.7141000      0.6080000
  1 1 1      11   -5   18 o    1.872000      0.3475000       1.722000 0.5508000       2.022000      0.4240000     -0.3002000      0.6951000
  1 1 1      11   -5   19 o    10.50000      0.2200000       10.59000 0.3283000       10.41000      0.2931000      0.1820000      0.4401000
  1 1 1      11   -5   20 o    2.400000      0.3939000       2.480000 0.6200000       2.320000      0.4859000      0.1602000      0.7877000
  1 1 1      11   -5   21 o    10.36000      0.2208000       10.85000 0.3577000       9.862000      0.2590000      0.9904000      0.4416000
  1 1 1      11   -5   22 f    4.440000      0.2596000       4.257000 0.4295000       4.622000      0.2916000     -0.3656000      0.5191000
  1 1 1      11   -5   23 o    9.923000      0.1711000       9.728000 0.2508000       10.12000      0.2328000     -0.3902000      0.3422000
  1 1 1      11   -5   24 o    15.32000      0.2227000       15.28000 0.3176000       15.37000      0.3122000     -0.8978000E-01  0.4454000
  1 1 1      11   -5   25 o    4.075000      0.1899000       3.947000 0.2889000       4.204000      0.2466000     -0.2566000      0.3799000
  1 1 1      11   -5   26 o    9.935000      0.2791000       9.797000 0.4215000       10.07000      0.3660000     -0.2765000      0.5582000
  1 1 1      11   -5   27 o    4.022000      0.4507000       4.722000 0.6267000       3.322000      0.6480000       1.400000      0.9015000
  1 1 1      11   -5   28 o    6.559000      0.3198000       6.698000 0.4939000       6.420000      0.4065000      0.2783000      0.6397000
  1 1 1      11   -5   29 o    9.398000      0.1799000       9.328000 0.2582000       9.469000      0.2505000     -0.1412000      0.3597000
  1 1 1      11   -5   30 o    5.959000      0.2059000       6.077000 0.2850000       5.841000      0.2974000      0.2357000      0.4119000
  1 1 1      11   -5   31 o    2.671000      0.4230000       2.958000 0.5274000       2.383000      0.6614000      0.5745000      0.8459000
  1 1 1      11   -5   32 o    5.502000      0.4534000       5.502000 0.4534000                  ?              ?              ?              ?
  1 1 1      11   -5   33 o    3.983000      0.4552000       4.132000 0.5528000       3.833000      0.7234000      0.2989000      0.9105000
  1 1 1      11   -5   34 o    4.451000      0.3049000       4.304000 0.4501000       4.599000      0.4114000     -0.2953000      0.6098000
  1 1 1      11   -4    0 o    14.50000      0.2229000       14.43000 0.3142000       14.58000      0.3163000     -0.1428000      0.4459000
  1 1 1      11   -4    1 o    14.00000      0.2154000       13.94000 0.3030000       14.06000      0.3063000     -0.1207000      0.4309000
  1 1 1      11   -4    2 o    3.911000      0.2103000       3.744000 0.3021000       4.077000      0.2926000     -0.3326000      0.4206000
  1 1 1      11   -4    3 o    1.671000      0.4459000       1.460000 0.5835000       1.881000      0.6743000     -0.4212000      0.8917000
  1 1 1      11   -4    4 o    11.01000      0.2608000       10.71000 0.3545000       11.31000      0.3826000     -0.5986000      0.5216000
  1 1 1      11   -4    5 o    17.92000      0.2540000       17.86000 0.3576000       17.98000      0.3610000     -0.1244000      0.5081000
  1 1 1      11   -4    6 o    10.24000      0.1675000       10.25000 0.2359000       10.22000      0.2378000      0.2955000E-01  0.3350000
  1 1 1      11   -4    7 o    9.306000      0.2099000       9.088000 0.2958000       9.524000      0.2979000     -0.4362000      0.4198000
  1 1 1      11   -4    8 o    4.595000      0.1882000       4.815000 0.2624000       4.375000      0.2698000      0.4401000      0.3763000
  1 1 1      11   -4    9 o    5.727000      0.1374000       5.651000 0.1862000       5.803000      0.2021000     -0.1520000      0.2748000
  1 1 1      11   -4   10 o    10.98000      0.1718000       10.91000 0.2359000       11.05000      0.2497000     -0.1386000      0.3435000
  1 1 1      11   -4   11 o    10.21000      0.1821000       10.23000 0.2383000       10.18000      0.2753000      0.4623000E-01  0.3642000
  1 1 1      11   -4   12 o    4.620000      0.1824000       4.502000 0.2368000       4.739000      0.2775000     -0.2370000      0.3648000
  1 1 1      11   -4   13 o    2.676000      0.2578000       2.431000 0.3594000       2.920000      0.3697000     -0.4893000      0.5156000
  1 1 1      11   -4   14 o    13.18000      0.2038000       12.99000 0.2703000       13.38000      0.3052000     -0.3841000      0.4076000
  1 1 1      11   -4   15 o    13.49000      0.1923000       13.58000 0.2734000       13.41000      0.2706000      0.1654000      0.3847000
  1 1 1      11   -4   16 o    4.367000      0.1296000       4.369000 0.1920000       4.366000      0.1742000      0.2340000E-02  0.2593000
  1 1 1      11   -4   17 o    7.470000      0.1529000       7.397000 0.2296000       7.542000      0.2019000     -0.1447000      0.3057000
  1 1 1      11   -4   18 o    8.813000      0.1903000       8.859000 0.2937000       8.767000      0.2420000      0.9153000E-01  0.3806000
  1 1 1      11   -4   19 o    1.656000      0.3359000       1.105000 0.5103000       2.206000      0.4370000      -1.101000      0.6718000
  1 1 1      11   -4   20 o    4.439000      0.2371000       4.019000 0.3873000       4.859000      0.2737000     -0.8399000      0.4742000
  1 1 1      11   -4   21 o    7.618000      0.1911000       7.783000 0.3058000       7.452000      0.2291000      0.3307000      0.3821000
  1 1 1      11   -4   22 o    8.874000      0.1637000       8.558000 0.2430000       9.190000      0.2194000     -0.6323000      0.3274000
  1 1 1      11   -4   23 o    2.995000      0.2422000       3.047000 0.3645000       2.942000      0.3190000      0.1057000      0.4844000
  1 1 1      11   -4   24 f    8.617000      0.1545000       8.534000 0.2223000       8.699000      0.2147000     -0.1651000      0.3091000
  1 1 1      11   -4   25 o    3.273000      0.2014000       3.350000 0.2727000       3.196000      0.2964000      0.1544000      0.4028000
  1 1 1      11   -4   26 o    4.861000      0.1649000       4.854000 0.2348000       4.869000      0.2316000     -0.1564000E-01  0.3298000
  1 1 1      11   -4   27 o    9.731000      0.1919000       9.704000 0.2996000       9.758000      0.2400000     -0.5419000E-01  0.3839000
  1 1 1      11   -4   28 o    6.058000      0.1630000       6.049000 0.2212000       6.068000      0.2394000     -0.1895000E-01  0.3259000
  1 1 1      11   -4   29 f    8.712000      0.3033000       8.751000 0.4613000       8.673000      0.3940000      0.7762000E-01  0.6067000
  1 1 1      11   -4   30 o    4.276000      0.4744000       4.028000 0.7666000       4.524000      0.5591000     -0.4958000      0.9488000
  1 1 1      11   -4   31 o    4.819000      0.2504000       4.908000 0.3275000       4.730000      0.3789000      0.1784000      0.5009000
  1 1 1      11   -4   32 o    1.305000      0.5819000       1.305000 0.5819000                  ?              ?              ?              ?
  1 1 1      11   -4   33 o    2.346000      0.5571000       2.337000 0.7717000       2.354000      0.8036000     -0.1613000E-01   1.114000
  1 1 1      11   -4   34 o    2.585000      0.7911000                  ?       ?   2.585000      0.7911000                  ?              ?
  1 1 1      11   -4   35 o    1.875000      0.4848000       1.870000 0.6820000       1.880000      0.6892000     -0.9785000E-02  0.9696000
  1 1 1      11   -3    0 o    17.00000      0.2500000       17.11000 0.3554000       16.89000      0.3517000      0.2186000      0.5000000
  1 1 1      11   -3    1 o    7.953000      0.2429000       7.337000 0.3266000       8.569000      0.3597000      -1.231000      0.4858000
  1 1 1      11   -3    2 o    22.74000      0.4507000       22.63000 0.6314000       22.85000      0.6433000     -0.2173000      0.9014000
  1 1 1      11   -3    3 o    11.97000      0.1898000       12.02000 0.2684000       11.91000      0.2684000      0.1069000      0.3796000
  1 1 1      11   -3    4 o    22.30000      0.3765000       22.36000 0.4394000       22.24000      0.6115000      0.1220000      0.7530000
  1 1 1      11   -3    5 o    16.90000      0.3384000       16.74000 0.4763000       17.05000      0.4809000     -0.3076000      0.6768000
  1 1 1      11   -3    6 o    24.70000      0.6733000                  ?       ?   24.70000      0.6733000                  ?              ?
  1 1 1      11   -3    7 o    5.359000      0.1408000       5.357000 0.1986000       5.360000      0.1998000     -0.3302000E-02  0.2817000
  1 1 1      11   -3    8 o    8.691000      0.1464000       8.641000 0.2035000       8.741000      0.2105000     -0.9955000E-01  0.2927000
  1 1 1      11   -3    9 o    5.777000      0.1520000       5.494000 0.1797000       6.061000      0.2453000     -0.5662000      0.3041000
  1 1 1      11   -3   10 o    8.910000      0.1483000       8.865000 0.2015000       8.954000      0.2175000     -0.8823000E-01  0.2965000
  1 1 1      11   -3   11 o    10.51000      0.1737000       10.36000 0.2281000       10.67000      0.2621000     -0.3053000      0.3475000
  1 1 1      11   -3   12 o    3.120000      0.2328000       3.428000 0.2561000       2.813000      0.3889000      0.6145000      0.4656000
  1 1 1      11   -3   13 o    4.458000      0.1737000       4.549000 0.2221000       4.367000      0.2671000      0.1824000      0.3474000
  1 1 1      11   -3   14 o    10.47000      0.1714000       10.55000 0.2262000       10.39000      0.2576000      0.1586000      0.3428000
  1 1 1      11   -3   15 o    1.873000      0.2049000       1.860000 0.2894000       1.885000      0.2902000     -0.2492000E-01  0.4099000
  1 1 1      11   -3   16 o    6.288000      0.1179000       6.083000 0.1707000       6.493000      0.1627000     -0.4099000      0.2358000
  1 1 1      11   -3   17 o    11.92000      0.2117000       11.72000 0.3390000       12.11000      0.2535000     -0.3880000      0.4233000
  1 1 1      11   -3   18 o    2.367000      0.2967000       2.208000 0.5029000       2.525000      0.3149000     -0.3163000      0.5933000
  1 1 1      11   -3   19 o    12.75000      0.2402000       12.61000 0.3734000       12.88000      0.3023000     -0.2709000      0.4804000
  1 1 1      11   -3   20 o    1.912000      0.4107000       2.100000 0.6240000       1.723000      0.5341000      0.3771000      0.8214000
  1 1 1      11   -3   21 f    1.124000      0.3554000       1.334000 0.5698000      0.9136000      0.4248000      0.4199000      0.7107000
  1 1 1      11   -3   22 o    15.98000      0.2273000       16.16000 0.3284000       15.80000      0.3143000      0.3564000      0.4546000
  1 1 1      11   -3   23 o    7.814000      0.1403000       7.751000 0.2036000       7.877000      0.1931000     -0.1253000      0.2807000
  1 1 1      11   -3   24 o    6.713000      0.1399000       6.623000 0.1982000       6.803000      0.1974000     -0.1806000      0.2797000
  1 1 1      11   -3   25 o    7.046000      0.1440000       6.880000 0.2040000       7.211000      0.2033000     -0.3310000      0.2880000
  1 1 1      11   -3   26 o    4.042000      0.1849000       4.336000 0.2412000       3.748000      0.2802000      0.5887000      0.3698000
  1 1 1      11   -3   27 o    7.428000      0.1642000       7.351000 0.2329000       7.505000      0.2314000     -0.1536000      0.3283000
  1 1 1      11   -3   28 o    4.284000      0.2116000       4.169000 0.2855000       4.399000      0.3123000     -0.2296000      0.4231000
  1 1 1      11   -3   29 o    2.053000      0.4217000       1.978000 0.5791000       2.128000      0.6132000     -0.1503000      0.8434000
  1 1 1      11   -3   30 o    3.550000      0.4956000       2.604000 0.8552000       4.497000      0.5010000      -1.892000      0.9912000
  1 1 1      11   -3   31 o    7.683000      0.3031000       7.357000 0.4695000       8.010000      0.3833000     -0.6536000      0.6061000
  1 1 1      11   -3   32 o    3.160000      0.3355000       3.614000 0.4322000       2.706000      0.5132000      0.9075000      0.6709000
  1 1 1      11   -3   33 o    3.148000      0.3832000       3.079000 0.5554000       3.217000      0.5280000     -0.1385000      0.7663000
  1 1 1      11   -3   34 o    3.015000      0.7788000                  ?       ?   3.015000      0.7788000                  ?              ?
  1 1 1      11   -3   35 o    1.569000      0.4932000       1.697000 0.7262000       1.441000      0.6675000      0.2565000      0.9863000
  1 1 1      11   -2    0 o    19.66000      0.3956000       19.61000 0.5589000       19.72000      0.5600000     -0.1068000      0.7912000
  1 1 1      11   -2    1 o    23.64000      0.3278000       23.82000 0.4672000       23.45000      0.4600000      0.3768000      0.6557000
  1 1 1      11   -2    2 f    19.27000      0.2743000       18.81000 0.3789000       19.73000      0.3967000     -0.9138000      0.5486000
  1 1 1      11   -2    3 o    2.749000      0.3556000       3.580000 0.4280000       1.918000      0.5680000       1.662000      0.7112000
  1 1 1      11   -2    4 o    5.043000      0.3312000       5.043000 0.3312000                  ?              ?              ?              ?
  1 1 1      11   -2    5 f    8.879000      0.2179000       8.921000 0.3155000       8.838000      0.3007000      0.8283000E-01  0.4358000
  1 1 1      11   -2    6 o    17.55000      0.3507000                  ?       ?   17.55000      0.3507000                  ?              ?
  1 1 1      11   -2    7 o    10.70000      0.1673000       10.58000 0.2339000       10.81000      0.2393000     -0.2283000      0.3346000
  1 1 1      11   -2    8 o    10.34000      0.1610000       10.49000 0.2275000       10.20000      0.2279000      0.2953000      0.3220000
  1 1 1      11   -2    9 o    20.48000      0.2804000       20.36000 0.3937000       20.60000      0.3993000     -0.2387000      0.5608000
  1 1 1      11   -2   10 o    4.574000      0.1271000       4.702000 0.1691000       4.447000      0.1898000      0.2556000      0.2542000
  1 1 1      11   -2   11 o    11.05000      0.1658000       11.20000 0.2323000       10.90000      0.2366000      0.3026000      0.3315000
  1 1 1      11   -2   12 o    11.64000      0.2981000       12.30000 0.2598000       10.99000      0.5366000       1.307000      0.5961000
  1 1 1      11   -2   13 o    6.140000      0.1586000       5.848000 0.2042000       6.432000      0.2428000     -0.5842000      0.3172000
  1 1 1      11   -2   14 o    11.00000      0.1661000       11.10000 0.2283000       10.90000      0.2413000      0.1973000      0.3322000
  1 1 1      11   -2   15 o    6.135000      0.1262000       6.011000 0.1447000       6.260000      0.2068000     -0.2494000      0.2524000
  1 1 1      11   -2   16 o    13.25000      0.1843000       13.56000 0.2672000       12.95000      0.2541000      0.6112000      0.3687000
  1 1 1      11   -2   17 o    2.397000      0.2279000       2.355000 0.3799000       2.439000      0.2519000     -0.8403000E-01  0.4558000
  1 1 1      11   -2   18 o    3.673000      0.2076000       3.607000 0.3415000       3.740000      0.2361000     -0.1329000      0.4152000
  1 1 1      11   -2   19 o    8.945000      0.1942000       9.012000 0.2984000       8.879000      0.2486000      0.1333000      0.3884000
  1 1 1      11   -2   20 o    4.301000      0.2029000       4.356000 0.3205000       4.247000      0.2489000      0.1095000      0.4058000
  1 1 1      11   -2   21 o    10.03000      0.1568000       10.27000 0.2308000       9.802000      0.2124000      0.4655000      0.3137000
  1 1 1      11   -2   22 o    7.156000      0.1302000       7.182000 0.1888000       7.131000      0.1793000      0.5093000E-01  0.2604000
  1 1 1      11   -2   23 o    2.852000      0.1731000       2.700000 0.2479000       3.003000      0.2416000     -0.3030000      0.3462000
  1 1 1      11   -2   24 o    14.36000      0.2065000       14.29000 0.2920000       14.42000      0.2921000     -0.1241000      0.4130000
  1 1 1      11   -2   25 o    7.641000      0.1471000       7.814000 0.2077000       7.467000      0.2084000      0.3464000      0.2943000
  1 1 1      11   -2   26 o    5.070000      0.1630000       5.050000 0.2161000       5.089000      0.2440000     -0.3932000E-01  0.3259000
  1 1 1      11   -2   27 o    2.427000      0.3176000       2.720000 0.3518000       2.134000      0.5288000      0.5863000      0.6351000
  1 1 1      11   -2   28 o    3.252000      0.2637000       3.119000 0.3567000       3.385000      0.3886000     -0.2658000      0.5275000
  1 1 1      11   -2   29 o    3.890000      0.2464000       4.014000 0.3166000       3.765000      0.3776000      0.2490000      0.4927000
  1 1 1      11   -2   30 o    2.914000      0.3486000       2.921000 0.4682000       2.907000      0.5165000      0.1342000E-01  0.6971000
  1 1 1      11   -2   31 o    3.301000      0.4952000       2.443000 0.8362000       4.159000      0.5309000      -1.716000      0.9905000
  1 1 1      11   -2   32 o    4.721000      0.3834000       4.316000 0.6188000       5.126000      0.4528000     -0.8097000      0.7667000
  1 1 1      11   -2   33 o    2.581000      0.4097000       3.187000 0.5001000       1.976000      0.6492000       1.211000      0.8195000
  1 1 1      11   -2   34 o    5.196000      0.2639000       4.809000 0.4135000       5.583000      0.3281000     -0.7739000      0.5279000
  1 1 1      11   -2   35 o    2.334000      0.5743000       2.359000 0.8197000       2.309000      0.8045000      0.5027000E-01   1.149000
  1 1 1      11   -1    0 o    22.52000      0.3148000       22.49000 0.4457000       22.55000      0.4448000     -0.6158000E-01  0.6297000
  1 1 1      11   -1    1 o    7.153000      0.1578000       7.011000 0.2285000       7.295000      0.2177000     -0.2843000      0.3157000
  1 1 1      11   -1    2 o    15.01000      0.3130000       15.10000 0.4489000       14.93000      0.4363000      0.1728000      0.6259000
  1 1 1      11   -1    3 o    3.216000      0.3154000       3.848000 0.3823000       2.584000      0.5017000       1.264000      0.6308000
  1 1 1      11   -1    4 o    5.276000      0.1498000       5.479000 0.2185000       5.073000      0.2049000      0.4055000      0.2996000
  1 1 1      11   -1    5 o    11.45000      0.1776000       11.18000 0.2487000       11.72000      0.2536000     -0.5412000      0.3552000
  1 1 1      11   -1    6 o    11.54000      0.2136000       11.60000 0.2507000       11.49000      0.3460000      0.1115000      0.4273000
  1 1 1      11   -1    7 o    14.50000      0.2089000       14.35000 0.2925000       14.65000      0.2984000     -0.2954000      0.4179000
  1 1 1      11   -1    8 o    8.246000      0.1416000       8.423000 0.1999000       8.070000      0.2007000      0.3532000      0.2833000
  1 1 1      11   -1    9 o    15.98000      0.2232000       15.86000 0.3127000       16.10000      0.3185000     -0.2435000      0.4463000
  1 1 1      11   -1   10 f    17.47000      0.2406000       17.39000 0.3381000       17.55000      0.3424000     -0.1574000      0.4812000
  1 1 1      11   -1   11 o    9.539000      0.1439000       9.548000 0.2000000       9.530000      0.2069000      0.1856000E-01  0.2878000
  1 1 1      11   -1   12 o    11.12000      0.1737000       11.13000 0.2325000       11.10000      0.2582000      0.2948000E-01  0.3474000
  1 1 1      11   -1   13 o    4.649000      0.1567000       4.734000 0.2002000       4.563000      0.2410000      0.1711000      0.3133000
  1 1 1      11   -1   14 o    5.716000      0.1104000       5.823000 0.1477000       5.609000      0.1643000      0.2142000      0.2209000
  1 1 1      11   -1   15 o    12.73000      0.1752000       12.78000 0.2484000       12.69000      0.2473000      0.9348000E-01  0.3505000
  1 1 1      11   -1   16 o    9.642000      0.1387000       9.691000 0.1978000       9.593000      0.1945000      0.9720000E-01  0.2774000
  1 1 1      11   -1   17 o    2.343000      0.1786000       2.258000 0.2751000       2.429000      0.2278000     -0.1713000      0.3572000
  1 1 1      11   -1   18 o    2.267000      0.2871000       2.394000 0.4423000       2.141000      0.3660000      0.2532000      0.5741000
  1 1 1      11   -1   19 o    3.879000      0.2084000       3.967000 0.3194000       3.791000      0.2678000      0.1760000      0.4168000
  1 1 1      11   -1   20 o    6.261000      0.1885000       6.373000 0.3298000       6.148000      0.1826000      0.2253000      0.3770000
  1 1 1      11   -1   21 o    9.573000      0.1714000       9.790000 0.2788000       9.355000      0.1995000      0.4348000      0.3429000
  1 1 1      11   -1   22 o    3.147000      0.1418000       2.999000 0.2000000       3.295000      0.2011000     -0.2965000      0.2836000
  1 1 1      11   -1   23 o    9.805000      0.1526000       9.664000 0.2162000       9.946000      0.2153000     -0.2824000      0.3051000
  1 1 1      11   -1   24 o    10.73000      0.1653000       10.57000 0.2320000       10.89000      0.2355000     -0.3262000      0.3306000
  1 1 1      11   -1   25 o    3.859000      0.1688000       3.571000 0.2343000       4.147000      0.2430000     -0.5761000      0.3376000
  1 1 1      11   -1   26 o    4.293000      0.1781000       4.281000 0.2357000       4.305000      0.2670000     -0.2384000E-01  0.3562000
  1 1 1      11   -1   27 o    5.397000      0.1678000       5.463000 0.2256000       5.331000      0.2484000      0.1319000      0.3356000
  1 1 1      11   -1   28 o    3.451000      0.2505000       3.513000 0.3288000       3.389000      0.3782000      0.1235000      0.5011000
  1 1 1      11   -1   29 o    4.770000      0.2120000       4.826000 0.2827000       4.714000      0.3161000      0.1113000      0.4241000
  1 1 1      11   -1   30 o    4.045000      0.2555000       3.968000 0.3514000       4.122000      0.3711000     -0.1542000      0.5111000
  1 1 1      11   -1   31 o    3.948000      0.2726000       4.165000 0.3510000       3.732000      0.4173000      0.4329000      0.5453000
  1 1 1      11   -1   32 o    1.835000      0.5112000       1.750000 0.7426000       1.920000      0.7029000     -0.1696000       1.022000
  1 1 1      11   -1   33 o    1.084000      0.3621000       1.273000 0.5716000      0.8942000      0.4448000      0.3790000      0.7243000
  1 1 1      11   -1   34 o    4.992000      0.2499000       4.880000 0.3647000       5.104000      0.3419000     -0.2247000      0.4999000
  1 1 1      11   -1   35 o    1.798000      0.5343000       1.851000 0.7630000       1.745000      0.7481000      0.1062000       1.069000
  1 1 1      11   -1   36 o    1.389000      0.6638000                  ?       ?   1.389000      0.6638000                  ?              ?
  1 1 1      11    0    0 o    10.25000      0.1737000       10.19000 0.2438000       10.31000      0.2474000     -0.1292000      0.3473000
  1 1 1      11    0    1 o    13.99000      0.2948000       14.48000 0.4276000       13.50000      0.4060000      0.9822000      0.5896000
  1 1 1      11    0    2 o    22.14000      0.4336000       21.66000 0.6002000       22.63000      0.6258000     -0.9770000      0.8671000
  1 1 1      11    0    3 o    26.10000      0.3570000       25.86000 0.5002000       26.35000      0.5096000     -0.4893000      0.7141000
  1 1 1      11    0    4 o    14.16000      0.2076000       14.01000 0.2922000       14.31000      0.2951000     -0.2965000      0.4153000
  1 1 1      11    0    5 o    11.34000      0.1753000       11.58000 0.2528000       11.11000      0.2430000      0.4708000      0.3507000
  1 1 1      11    0    6 o    7.580000      0.1405000       7.273000 0.2012000       7.887000      0.1960000     -0.6141000      0.2809000
  1 1 1      11    0    7 o    4.862000      0.1351000       4.722000 0.1975000       5.002000      0.1842000     -0.2807000      0.2701000
  1 1 1      11    0    8 o    18.36000      0.2539000       18.53000 0.3628000       18.19000      0.3554000      0.3362000      0.5078000
  1 1 1      11    0    9 o    10.42000      0.1558000       10.44000 0.2215000       10.40000      0.2192000      0.3386000E-01  0.3117000
  1 1 1      11    0   10 o    15.67000      0.2168000       15.61000 0.3059000       15.73000      0.3072000     -0.1119000      0.4335000
  1 1 1      11    0   11 o    10.30000      0.1801000       10.22000 0.2095000       10.39000      0.2930000     -0.1769000      0.3602000
  1 1 1      11    0   12 o    3.998000      0.1204000       4.068000 0.1560000       3.929000      0.1833000      0.1384000      0.2408000
  1 1 1      11    0   13 o    12.49000      0.4247000       12.52000 0.4031000       12.47000      0.7478000      0.5189000E-01  0.8495000
  1 1 1      11    0   14 o    1.048000      0.2439000      0.8802000 0.3473000       1.215000      0.3427000     -0.3347000      0.4879000
  1 1 1      11    0   15 o    6.513000      0.1262000       6.739000 0.2080000       6.286000      0.1431000      0.4533000      0.2524000
  1 1 1      11    0   19 o    4.204000      0.1688000       4.296000 0.2533000       4.113000      0.2231000      0.1831000      0.3375000
  1 1 1      11    0   20 o    2.663000      0.2106000       2.902000 0.3653000       2.425000      0.2098000      0.4769000      0.4212000
  1 1 1      11    0   21 o    4.280000      0.1039000       4.132000 0.1439000       4.429000      0.1499000     -0.2967000      0.2078000
  1 1 1      11    0   22 o    3.724000      0.1308000       3.540000 0.1850000       3.907000      0.1849000     -0.3675000      0.2616000
  1 1 1      11    0   23 o    2.923000      0.1681000       2.889000 0.2227000       2.957000      0.2517000     -0.6834000E-01  0.3361000
  1 1 1      11    0   24 o    3.250000      0.1777000       3.292000 0.2295000       3.207000      0.2713000      0.8479000E-01  0.3554000
  1 1 1      11    0   25 o    5.007000      0.1514000       5.040000 0.2023000       4.973000      0.2252000      0.6626000E-01  0.3027000
  1 1 1      11    0   26 o    12.23000      0.1873000       12.44000 0.2688000       12.02000      0.2608000      0.4239000      0.3746000
  1 1 1      11    0   27 f    5.328000      0.1701000       5.024000 0.2384000       5.631000      0.2427000     -0.6066000      0.3402000
  1 1 1      11    0   28 o    3.524000      0.2371000       3.321000 0.3368000       3.727000      0.3339000     -0.4057000      0.4742000
  1 1 1      11    0   29 o    4.650000      0.2141000       4.612000 0.2945000       4.687000      0.3108000     -0.7519000E-01  0.4282000
  1 1 1      11    0   30 o    7.223000      0.1860000       7.204000 0.2584000       7.242000      0.2677000     -0.3761000E-01  0.3721000
  1 1 1      11    0   31 o    2.215000      0.4228000       2.544000 0.5623000       1.886000      0.6315000      0.6573000      0.8455000
  1 1 1      11    0   32 o    4.452000      0.3437000       4.548000 0.5269000       4.356000      0.4415000      0.1918000      0.6874000
  1 1 1      11    0   33 o    4.347000      0.3936000       4.347000 0.3936000                  ?              ?              ?              ?
  1 1 1      11    0   34 o    3.606000      0.3353000       3.424000 0.5096000       3.788000      0.4359000     -0.3635000      0.6706000
  1 1 1      11    0   35 o    2.740000      0.5594000       2.189000 0.8201000       3.291000      0.7610000      -1.103000       1.119000
  1 1 1      11    0   36 o    1.985000      0.5221000       2.575000 0.8115000       1.394000      0.6572000       1.182000       1.044000
  1 1 1      11    1    0 o    21.18000      0.4184000       21.01000 0.5864000       21.36000      0.5969000     -0.3491000      0.8367000
  1 1 1      11    1    1 o    7.926000      0.2153000       8.228000 0.3073000       7.625000      0.3016000      0.6028000      0.4306000
  1 1 1      11    1    2 o    22.76000      0.3144000       22.70000 0.4436000       22.83000      0.4457000     -0.1220000      0.6288000
  1 1 1      11    1    3 o    7.365000      0.1450000       7.300000 0.2030000       7.430000      0.2072000     -0.1303000      0.2901000
  1 1 1      11    1    4 o    9.382000      0.1557000       9.459000 0.2192000       9.305000      0.2210000      0.1539000      0.3113000
  1 1 1      11    1    5 o    7.383000      0.1386000       7.141000 0.1932000       7.625000      0.1988000     -0.4844000      0.2772000
  1 1 1      11    1    6 o    11.47000      0.1724000       11.59000 0.2454000       11.36000      0.2423000      0.2252000      0.3449000
  1 1 1      11    1    7 o    12.43000      0.2223000       12.45000 0.3630000       12.41000      0.2567000      0.3774000E-01  0.4445000
  1 1 1      11    1    8 o    20.27000      0.2778000       20.16000 0.3916000       20.38000      0.3942000     -0.2259000      0.5557000
  1 1 1      11    1    9 o    4.910000      0.1454000       4.888000 0.2394000       4.932000      0.1651000     -0.4446000E-01  0.2908000
  1 1 1      11    1   10 o    9.529000      0.1430000       9.176000 0.1982000       9.883000      0.2061000     -0.7065000      0.2859000
  1 1 1      11    1   11 o    7.363000      0.1416000       7.318000 0.2298000       7.408000      0.1655000     -0.9020000E-01  0.2831000
  1 1 1      11    1   12 o    13.19000      0.2229000       13.57000 0.3693000       12.80000      0.2500000      0.7639000      0.4459000
  1 1 1      11    1   13 o    5.257000      0.1856000       5.178000 0.3141000       5.335000      0.1979000     -0.1572000      0.3712000
  1 1 1      11    1   21 f    5.868000      0.1420000       5.876000 0.2394000       5.861000      0.1528000      0.1487000E-01  0.2840000
  1 1 1      11    1   22 o    6.287000      0.1171000       6.352000 0.1660000       6.222000      0.1652000      0.1298000      0.2342000
  1 1 1      11    1   23 o    5.096000      0.1262000       5.268000 0.1760000       4.923000      0.1809000      0.3455000      0.2524000
  1 1 1      11    1   24 o    7.215000      0.1345000       7.230000 0.1889000       7.199000      0.1914000      0.3035000E-01  0.2689000
  1 1 1      11    1   25 o    5.439000      0.1446000       5.606000 0.1955000       5.272000      0.2132000      0.3339000      0.2893000
  1 1 1      11    1   26 o    11.73000      0.1801000       11.74000 0.2527000       11.72000      0.2568000      0.1542000E-01  0.3603000
  1 1 1      11    1   27 o    15.61000      0.2255000       15.65000 0.3182000       15.58000      0.3196000      0.7655000E-01  0.4510000
  1 1 1      11    1   28 o    6.983000      0.1644000       6.960000 0.2298000       7.005000      0.2352000     -0.4474000E-01  0.3289000
  1 1 1      11    1   29 f    3.433000      0.2626000       3.254000 0.3824000       3.612000      0.3600000     -0.3583000      0.5252000
  1 1 1      11    1   30 o    8.235000      0.1812000       8.199000 0.2503000       8.270000      0.2622000     -0.7069000E-01  0.3625000
  1 1 1      11    1   31 o    4.713000      0.2342000       5.021000 0.3123000       4.406000      0.3490000      0.6146000      0.4683000
  1 1 1      11    1   32 o    3.363000      0.4194000       3.646000 0.6087000       3.081000      0.5772000      0.5645000      0.8389000
  1 1 1      11    1   33 o    3.026000      0.5462000       3.026000 0.5462000                  ?              ?              ?              ?
  1 1 1      11    1   34 o    3.872000      0.2931000       4.036000 0.4204000       3.708000      0.4086000      0.3276000      0.5862000
  1 1 1      11    1   35 o    4.119000      0.6657000                  ?       ?   4.119000      0.6657000                  ?              ?
  1 1 1      11    1   36 o    3.085000      0.5618000       3.070000 0.8069000       3.099000      0.7818000     -0.2915000E-01   1.124000
  1 1 1      11    2    0 o    15.17000      0.3149000       15.39000 0.4499000       14.96000      0.4406000      0.4281000      0.6297000
  1 1 1      11    2    1 f    19.28000      0.2715000       19.38000 0.3858000       19.18000      0.3822000      0.2000000      0.5431000
  1 1 1      11    2    2 f    23.44000      0.3227000       23.61000 0.4595000       23.27000      0.4533000      0.3390000      0.6454000
  1 1 1      11    2    3 o    20.69000      0.2872000       20.35000 0.3997000       21.03000      0.4125000     -0.6774000      0.5744000
  1 1 1      11    2    4 o    3.803000      0.1600000       4.097000 0.2113000       3.510000      0.2402000      0.5868000      0.3199000
  1 1 1      11    2    5 o    10.25000      0.2284000       10.25000 0.2284000                  ?              ?              ?              ?
  1 1 1      11    2    6 o    14.60000      0.2084000       14.62000 0.2949000       14.59000      0.2946000      0.2945000E-01  0.4169000
  1 1 1      11    2    7 o    7.864000      0.1918000                  ?       ?   7.864000      0.1918000                  ?              ?
  1 1 1      11    2    8 o    15.73000      0.2194000       15.76000 0.3111000       15.70000      0.3096000      0.6770000E-01  0.4389000
  1 1 1      11    2    9 o    25.01000      0.3383000       25.23000 0.4830000       24.80000      0.4739000      0.4338000      0.6767000
  1 1 1      11    2   10 o    11.49000      0.1646000       11.52000 0.2333000       11.45000      0.2321000      0.6741000E-01  0.3291000
  1 1 1      11    2   11 o    9.648000      0.1985000                  ?       ?   9.648000      0.1985000                  ?              ?
  1 1 1      11    2   12 o    22.25000      0.3683000       22.42000 0.6041000       22.07000      0.4216000      0.3538000      0.7367000
  1 1 1      11    2   21 o    5.822000      0.1614000                  ?       ?   5.822000      0.1614000                  ?              ?
  1 1 1      11    2   22 o    1.529000      0.2899000       1.489000 0.3863000       1.569000      0.4323000     -0.8004000E-01  0.5797000
  1 1 1      11    2   23 o    6.546000      0.1681000       6.775000 0.1780000       6.317000      0.2851000      0.4587000      0.3361000
  1 1 1      11    2   24 o    3.101000      0.2126000       3.266000 0.2445000       2.936000      0.3478000      0.3298000      0.4251000
  1 1 1      11    2   25 o    9.814000      0.1640000       9.690000 0.2206000       9.937000      0.2427000     -0.2477000      0.3280000
  1 1 1      11    2   26 o    6.511000      0.1647000       6.564000 0.2063000       6.459000      0.2567000      0.1042000      0.3294000
  1 1 1      11    2   27 o    15.46000      0.2278000       15.54000 0.3167000       15.39000      0.3277000      0.1454000      0.4557000
  1 1 1      11    2   28 o    1.615000      0.3900000      0.9289000 0.4390000       2.300000      0.6447000      -1.372000      0.7800000
  1 1 1      11    2   29 o    5.112000      0.2253000       4.905000 0.2831000       5.319000      0.3506000     -0.4144000      0.4507000
  1 1 1      11    2   30 o    7.081000      0.2048000       7.254000 0.2520000       6.907000      0.3230000      0.3474000      0.4097000
  1 1 1      11    2   31 o    5.022000      0.2654000       5.299000 0.3026000       4.744000      0.4362000      0.5553000      0.5308000
  1 1 1      11    2   32 o    5.299000      0.3772000       5.058000 0.4438000       5.541000      0.6100000     -0.4826000      0.7544000
  1 1 1      11    2   33 o    5.327000      0.2849000       5.793000 0.3153000       4.860000      0.4745000      0.9330000      0.5697000
  1 1 1      11    2   34 o    2.993000      0.4203000       2.419000 0.6411000       3.568000      0.5437000      -1.149000      0.8406000
  1 1 1      11    2   35 f    2.235000      0.8330000                  ?       ?   2.235000      0.8330000                  ?              ?
  1 1 1      11    2   36 f    2.681000      0.4971000       1.794000 0.6808000       3.567000      0.7246000      -1.773000      0.9943000
  1 1 1      11    3    0 o    14.42000      0.3031000       14.64000 0.4324000       14.19000      0.4248000      0.4541000      0.6061000
  1 1 1      11    3    1 o    5.519000      0.1560000       5.593000 0.2187000       5.446000      0.2225000      0.1478000      0.3120000
  1 1 1      11    3    2 o    3.133000      0.2000000       2.940000 0.2948000       3.326000      0.2705000     -0.3866000      0.4001000
  1 1 1      11    3    3 o    21.99000      0.3034000       22.04000 0.4298000       21.94000      0.4283000      0.9873000E-01  0.6067000
  1 1 1      11    3    4 o    12.02000      0.1814000       12.04000 0.2560000       11.99000      0.2570000      0.4946000E-01  0.3627000
  1 1 1      11    3    5 o    8.284000      0.2052000       8.284000 0.2052000                  ?              ?              ?              ?
  1 1 1      11    3    6 o    10.16000      0.1587000       9.943000 0.2209000       10.38000      0.2278000     -0.4402000      0.3173000
  1 1 1      11    3    7 f    17.35000      0.3414000                  ?       ?   17.35000      0.3414000                  ?              ?
  1 1 1      11    3    8 o    18.85000      0.2590000       18.98000 0.3688000       18.72000      0.3636000      0.2584000      0.5179000
  1 1 1      11    3    9 o    26.35000      0.3554000       26.66000 0.5086000       26.03000      0.4966000      0.6338000      0.7108000
  1 1 1      11    3   10 o    9.079000      0.1362000       9.060000 0.1914000       9.099000      0.1937000     -0.3849000E-01  0.2723000
  1 1 1      11    3   11 o    13.96000      0.2356000       13.84000 0.3826000       14.07000      0.2749000     -0.2338000      0.4711000
  1 1 1      11    3   12 o    24.16000      0.3983000       24.07000 0.6486000       24.24000      0.4625000     -0.1701000      0.7966000
  1 1 1      11    3   20 o    3.841000      0.1633000       3.493000 0.1905000       4.189000      0.2654000     -0.6958000      0.3267000
  1 1 1      11    3   21 o    6.506000      0.1339000       6.215000 0.2077000       6.797000      0.1692000     -0.5821000      0.2679000
  1 1 1      11    3   22 f    14.42000      0.2024000       14.49000 0.2864000       14.34000      0.2861000      0.1438000      0.4049000
  1 1 1      11    3   23 o    11.55000      0.1718000       11.63000 0.2418000       11.47000      0.2443000      0.1557000      0.3437000
  1 1 1      11    3   24 o    6.466000      0.1422000       6.446000 0.1900000       6.486000      0.2116000     -0.3997000E-01  0.2844000
  1 1 1      11    3   25 o    17.54000      0.2472000       17.34000 0.3435000       17.75000      0.3556000     -0.4102000      0.4944000
  1 1 1      11    3   26 o    9.035000      0.1643000       9.140000 0.2212000       8.930000      0.2431000      0.2098000      0.3286000
  1 1 1      11    3   27 o    8.025000      0.1689000       8.129000 0.2231000       7.921000      0.2536000      0.2077000      0.3378000
  1 1 1      11    3   28 o    6.703000      0.1814000       6.443000 0.2395000       6.964000      0.2726000     -0.5207000      0.3629000
  1 1 1      11    3   29 o    8.069000      0.1861000       8.066000 0.2416000       8.072000      0.2831000     -0.6004000E-02  0.3722000
  1 1 1      11    3   30 o    1.703000      0.4528000       1.401000 0.5727000       2.006000      0.7016000     -0.6052000      0.9056000
  1 1 1      11    3   31 o    3.788000      0.4598000       4.472000 0.4443000       3.104000      0.8050000       1.368000      0.9195000
  1 1 1      11    3   32 o    6.113000      0.3197000       6.158000 0.3772000       6.069000      0.5164000      0.8868000E-01  0.6395000
  1 1 1      11    3   33 o    4.464000      0.3171000       4.659000 0.3733000       4.269000      0.5128000      0.3898000      0.6343000
  1 1 1      11    3   34 f    3.720000      0.5519000       3.862000 0.7300000       3.578000      0.8279000      0.2839000       1.104000
  1 1 1      11    3   35 o    2.650000      0.5774000       3.435000 0.8442000       1.865000      0.7880000       1.570000       1.155000
  1 1 1      11    3   36 o    2.128000      0.4636000       2.602000 0.6502000       1.654000      0.6609000      0.9482000      0.9271000
  1 1 1      11    4    0 o    17.45000      0.3534000       17.26000 0.4938000       17.63000      0.5056000     -0.3694000      0.7067000
  1 1 1      11    4    1 o    12.78000      0.1944000       12.82000 0.2748000       12.75000      0.2749000      0.6494000E-01  0.3887000
  1 1 1      11    4    2 o    8.713000      0.1555000       8.754000 0.2198000       8.673000      0.2201000      0.8112000E-01  0.3111000
  1 1 1      11    4    3 o    20.51000      0.2846000       20.49000 0.4021000       20.53000      0.4029000     -0.3657000E-01  0.5692000
  1 1 1      11    4    4 o    4.161000      0.1541000       3.984000 0.2213000       4.337000      0.2147000     -0.3528000      0.3083000
  1 1 1      11    4    5 o    15.72000      0.2237000       15.93000 0.3199000       15.52000      0.3129000      0.4145000      0.4475000
  1 1 1      11    4    6 o    9.697000      0.1548000       9.778000 0.2197000       9.617000      0.2181000      0.1605000      0.3096000
  1 1 1      11    4    7 f    7.726000      0.1364000       7.797000 0.1925000       7.656000      0.1934000      0.1407000      0.2728000
  1 1 1      11    4    8 o    24.60000      0.3335000       24.64000 0.4725000       24.56000      0.4708000      0.8462000E-01  0.6670000
  1 1 1      11    4    9 o    26.14000      0.3530000       25.99000 0.4963000       26.30000      0.5020000     -0.3084000      0.7059000
  1 1 1      11    4   10 o    9.502000      0.1425000       9.581000 0.2022000       9.422000      0.2008000      0.1591000      0.2850000
  1 1 1      11    4   11 o    10.21000      0.1811000       10.06000 0.2940000       10.36000      0.2115000     -0.3025000      0.3621000
  1 1 1      11    4   12 o    8.795000      0.1580000       8.809000 0.2598000       8.781000      0.1800000      0.2782000E-01  0.3161000
  1 1 1      11    4   13 o    4.781000      0.2786000       4.861000 0.1837000       4.701000      0.5261000      0.1593000      0.5573000
  1 1 1      11    4   19 o    3.942000      0.2859000       4.364000 0.5019000       3.519000      0.2740000      0.8454000      0.5718000
  1 1 1      11    4   20 o    4.070000      0.1637000       4.382000 0.2604000       3.757000      0.1985000      0.6246000      0.3274000
  1 1 1      11    4   21 f    4.688000      0.1210000       4.948000 0.1664000       4.429000      0.1758000      0.5186000      0.2420000
  1 1 1      11    4   22 o    13.67000      0.1942000       13.70000 0.2738000       13.64000      0.2755000      0.5821000E-01  0.3884000
  1 1 1      11    4   23 o    7.878000      0.1401000       7.905000 0.1949000       7.851000      0.2014000      0.5460000E-01  0.2803000
  1 1 1      11    4   24 o    14.94000      0.2138000       15.05000 0.3024000       14.84000      0.3024000      0.2095000      0.4276000
  1 1 1      11    4   25 o    9.814000      0.1629000       10.10000 0.2293000       9.533000      0.2314000      0.5629000      0.3257000
  1 1 1      11    4   26 o    5.414000      0.1692000       5.299000 0.2264000       5.529000      0.2516000     -0.2304000      0.3385000
  1 1 1      11    4   27 o    2.499000      0.3412000       2.977000 0.3522000       2.021000      0.5846000      0.9569000      0.6825000
  1 1 1      11    4   28 o    7.211000      0.1752000       7.080000 0.2325000       7.342000      0.2623000     -0.2623000      0.3505000
  1 1 1      11    4   29 o    7.004000      0.1875000       7.251000 0.2446000       6.757000      0.2844000      0.4947000      0.3751000
  1 1 1      11    4   30 o    5.578000      0.2811000       4.960000 0.3821000       6.196000      0.4125000      -1.236000      0.5623000
  1 1 1      11    4   31 o    1.938000      0.5258000       1.582000 0.6567000       2.293000      0.8215000     -0.7109000       1.052000
  1 1 1      11    4   32 o    6.932000      0.2243000       7.043000 0.2871000       6.820000      0.3448000      0.2227000      0.4487000
  1 1 1      11    4   33 o    4.306000      0.3132000       4.236000 0.3970000       4.375000      0.4846000     -0.1384000      0.6264000
  1 1 1      11    4   34 o    3.307000      0.8156000       3.307000 0.8156000                  ?              ?              ?              ?
  1 1 1      11    4   35 o    1.825000      0.4741000       2.184000 0.6908000       1.467000      0.6497000      0.7172000      0.9483000
  1 1 1      11    4   36 o    1.589000      0.4641000       1.434000 0.6312000       1.745000      0.6805000     -0.3106000      0.9281000
  1 1 1      11    5    1 o    11.40000      0.1813000       11.27000 0.2547000       11.54000      0.2582000     -0.2673000      0.3627000
  1 1 1      11    5    2 o    25.27000      0.3462000       25.32000 0.4908000       25.22000      0.4885000      0.1008000      0.6925000
  1 1 1      11    5    3 o    38.89000      0.5234000       38.99000 0.7420000       38.79000      0.7385000      0.1945000       1.047000
  1 1 1      11    5    4 o    7.266000      0.1440000       7.097000 0.2023000       7.434000      0.2049000     -0.3371000      0.2879000
  1 1 1      11    5    5 o    14.09000      0.2038000       14.16000 0.2890000       14.02000      0.2874000      0.1411000      0.4076000
  1 1 1      11    5    6 o    4.593000      0.1444000       4.661000 0.1997000       4.524000      0.2086000      0.1372000      0.2887000
  1 1 1      11    5    7 o    5.944000      0.1312000       6.014000 0.1830000       5.874000      0.1880000      0.1400000      0.2624000
  1 1 1      11    5    8 o    9.372000      0.1487000       9.404000 0.2110000       9.339000      0.2096000      0.6483000E-01  0.2974000
  1 1 1      11    5    9 o    7.668000      0.1608000       7.472000 0.2627000       7.864000      0.1856000     -0.3922000      0.3217000
  1 1 1      11    5   10 o    1.426000      0.2579000       1.323000 0.3907000       1.530000      0.3367000     -0.2068000      0.5157000
  1 1 1      11    5   11 o    12.92000      0.1810000       13.10000 0.2581000       12.73000      0.2537000      0.3720000      0.3619000
  1 1 1      11    5   12 o    4.383000      0.9426000E-01   4.437000 0.1300000       4.329000      0.1366000      0.1081000      0.1885000
  1 1 1      11    5   13 o    2.009000      0.2679000       2.263000 0.2861000       1.754000      0.4530000      0.5091000      0.5357000
  1 1 1      11    5   14 o    9.344000      0.1914000       9.435000 0.2695000       9.252000      0.2718000      0.1831000      0.3828000
  1 1 1      11    5   15 o    3.127000      0.1159000       3.409000 0.1768000       2.846000      0.1499000      0.5624000      0.2318000
  1 1 1      11    5   16 o    4.384000      0.1007000       4.306000 0.1558000       4.461000      0.1277000     -0.1547000      0.2015000
  1 1 1      11    5   17 o    9.203000      0.1643000       8.981000 0.2661000       9.425000      0.1926000     -0.4438000      0.3285000
  1 1 1      11    5   18 o    14.07000      0.2485000       14.66000 0.4142000       13.48000      0.2748000       1.180000      0.4971000
  1 1 1      11    5   19 o    2.375000      0.2708000       2.455000 0.3225000       2.294000      0.4352000      0.1607000      0.5416000
  1 1 1      11    5   20 o    1.104000      0.3192000       1.030000 0.4288000       1.179000      0.4730000     -0.1487000      0.6384000
  1 1 1      11    5   21 o    12.45000      0.1815000       12.46000 0.2575000       12.44000      0.2559000      0.1968000E-01  0.3631000
  1 1 1      11    5   22 o    14.64000      0.2073000       14.58000 0.2912000       14.70000      0.2950000     -0.1163000      0.4145000
  1 1 1      11    5   23 o    15.24000      0.2159000       15.28000 0.3043000       15.21000      0.3065000      0.7535000E-01  0.4319000
  1 1 1      11    5   24 o    8.063000      0.1485000       8.097000 0.2051000       8.028000      0.2148000      0.6828000E-01  0.2970000
  1 1 1      11    5   25 o    12.31000      0.1875000       12.31000 0.2618000       12.31000      0.2684000     -0.2742000E-02  0.3749000
  1 1 1      11    5   26 o    4.584000      0.1815000       4.354000 0.2478000       4.813000      0.2652000     -0.4590000      0.3630000
  1 1 1      11    5   27 o    1.620000      0.4616000       1.933000 0.7424000       1.307000      0.5486000      0.6266000      0.9231000
  1 1 1      11    5   28 o    4.613000      0.2125000       4.511000 0.2877000       4.715000      0.3128000     -0.2042000      0.4250000
  1 1 1      11    5   29 o    7.368000      0.2127000       7.209000 0.2441000       7.528000      0.3485000     -0.3192000      0.4255000
  1 1 1      11    5   30 o    1.862000      0.4956000       1.947000 0.6852000       1.778000      0.7162000      0.1693000      0.9912000
  1 1 1      11    5   31 o    3.301000      0.3736000       3.606000 0.4164000       2.997000      0.6205000      0.6092000      0.7473000
  1 1 1      11    5   32 o    7.216000      0.2181000       7.461000 0.2809000       6.971000      0.3338000      0.4896000      0.4363000
  1 1 1      11    5   33 o    3.010000      0.5906000       3.187000 0.7973000       2.832000      0.8716000      0.3555000       1.181000
  1 1 1      11    5   34 o    3.346000      0.5332000       3.346000 0.5332000                  ?              ?              ?              ?
  1 1 1      11    5   35 o    2.057000      0.4888000       2.369000 0.6780000       1.745000      0.7044000      0.6246000      0.9777000
  1 1 1      11    5   36 o    2.044000      0.5494000       2.528000 0.8775000       1.561000      0.6614000      0.9677000       1.099000
  1 1 1      11    6    0 o    14.04000      0.2995000       14.07000 0.4222000       14.01000      0.4249000      0.6418000E-01  0.5990000
  1 1 1      11    6    1 f    15.15000      0.3148000       14.95000 0.4388000       15.35000      0.4514000     -0.3924000      0.6296000
  1 1 1      11    6    2 o    19.53000      0.2742000       19.56000 0.3881000       19.51000      0.3874000      0.4588000E-01  0.5483000
  1 1 1      11    6    3 o    19.96000      0.2784000       19.94000 0.3929000       19.98000      0.3945000     -0.3911000E-01  0.5568000
  1 1 1      11    6    4 o    6.345000      0.1453000       6.298000 0.2036000       6.393000      0.2075000     -0.9567000E-01  0.2907000
  1 1 1      11    6    5 f    11.70000      0.1780000       11.61000 0.2494000       11.80000      0.2540000     -0.1841000      0.3560000
  1 1 1      11    6    6 o    9.927000      0.2247000       9.927000 0.2247000                  ?              ?              ?              ?
  1 1 1      11    6    7 o    6.857000      0.1356000       6.675000 0.1915000       7.039000      0.1921000     -0.3635000      0.2713000
  1 1 1      11    6    8 o    6.789000      0.1856000                  ?       ?   6.789000      0.1856000                  ?              ?
  1 1 1      11    6    9 f    5.485000      0.1218000       5.554000 0.1738000       5.416000      0.1706000      0.1386000      0.2435000
  1 1 1      11    6   10 o    3.949000      0.1230000       3.938000 0.1755000       3.961000      0.1724000     -0.2265000E-01  0.2460000
  1 1 1      11    6   11 o    9.818000      0.1437000       9.911000 0.2034000       9.724000      0.2030000      0.1879000      0.2874000
  1 1 1      11    6   12 o    1.949000      0.2072000       1.904000 0.2434000       1.993000      0.3355000     -0.8924000E-01  0.4145000
  1 1 1      11    6   13 f    7.411000      0.1553000       7.335000 0.1935000       7.487000      0.2430000     -0.1519000      0.3106000
  1 1 1      11    6   14 o    6.498000      0.1544000       6.469000 0.2111000       6.528000      0.2254000     -0.5877000E-01  0.3088000
  1 1 1      11    6   15 o    2.558000      0.1270000       2.611000 0.1679000       2.504000      0.1906000      0.1066000      0.2539000
  1 1 1      11    6   16 o    14.49000      0.1983000       14.45000 0.2801000       14.52000      0.2808000     -0.6784000E-01  0.3966000
  1 1 1      11    6   17 o    2.744000      0.1909000       2.437000 0.3196000       3.051000      0.2089000     -0.6141000      0.3818000
  1 1 1      11    6   18 o    2.545000      0.2592000       2.576000 0.3902000       2.515000      0.3413000      0.6072000E-01  0.5184000
  1 1 1      11    6   19 o    6.901000      0.1857000       6.627000 0.2806000       7.175000      0.2432000     -0.5481000      0.3714000
  1 1 1      11    6   20 o    1.801000      0.3819000       1.640000 0.5820000       1.962000      0.4947000     -0.3219000      0.7638000
  1 1 1      11    6   21 o    10.43000      0.2016000       10.68000 0.3323000       10.18000      0.2286000      0.4958000      0.4033000
  1 1 1      11    6   22 o    4.120000      0.1694000       4.018000 0.2378000       4.223000      0.2414000     -0.2052000      0.3389000
  1 1 1      11    6   23 o    7.230000      0.1425000       7.529000 0.1984000       6.931000      0.2046000      0.5974000      0.2850000
  1 1 1      11    6   24 o    1.633000      0.3488000       1.528000 0.4782000       1.738000      0.5079000     -0.2105000      0.6976000
  1 1 1      11    6   25 o    4.741000      0.1712000       4.671000 0.2331000       4.810000      0.2508000     -0.1399000      0.3424000
  1 1 1      11    6   26 o    9.349000      0.1664000       9.384000 0.2290000       9.314000      0.2415000      0.7021000E-01  0.3328000
  1 1 1      11    6   27 o    3.388000      0.2436000       3.322000 0.3237000       3.455000      0.3642000     -0.1331000      0.4873000
  1 1 1      11    6   28 o    4.004000      0.2817000       3.488000 0.4151000       4.519000      0.3810000      -1.031000      0.5634000
  1 1 1      11    6   29 o    8.985000      0.2357000       8.994000 0.3221000       8.976000      0.3443000      0.1808000E-01  0.4715000
  1 1 1      11    6   30 o    3.905000      0.2828000       4.034000 0.3490000       3.775000      0.4451000      0.2591000      0.5656000
  1 1 1      11    6   31 o    7.868000      0.2029000       7.785000 0.2702000       7.950000      0.3027000     -0.1644000      0.4057000
  1 1 1      11    6   32 o    2.953000      0.6227000       2.768000 0.8766000       3.139000      0.8846000     -0.3710000       1.245000
  1 1 1      11    6   33 o    1.327000      0.4270000       1.272000 0.5763000       1.383000      0.6301000     -0.1106000      0.8539000
  1 1 1      11    6   34 o    5.583000      0.2305000       6.196000 0.3272000       4.970000      0.3249000       1.226000      0.4611000
  1 1 1      11    6   35 o    1.557000      0.4547000       1.841000 0.6828000       1.272000      0.6006000      0.5695000      0.9094000
  1 1 1      11    6   36 o    3.831000      0.5249000                  ?       ?   3.831000      0.5249000                  ?              ?
  1 1 1      11    7    0 o    19.34000      0.2740000       19.35000 0.3875000       19.33000      0.3875000      0.1934000E-01  0.5480000
  1 1 1      11    7    1 o    10.77000      0.2523000       10.78000 0.3529000       10.76000      0.3608000      0.1419000E-01  0.5047000
  1 1 1      11    7    2 o    18.89000      0.2668000       18.89000 0.3778000       18.90000      0.3768000     -0.9207000E-02  0.5336000
  1 1 1      11    7    3 o    5.934000      0.1537000       5.825000 0.2190000       6.042000      0.2156000     -0.2162000      0.3073000
  1 1 1      11    7    4 o    17.31000      0.2455000       17.19000 0.3446000       17.43000      0.3498000     -0.2380000      0.4910000
  1 1 1      11    7    5 o    5.947000      0.1428000       6.069000 0.2018000       5.826000      0.2023000      0.2425000      0.2857000
  1 1 1      11    7    6 o    9.659000      0.2231000       9.659000 0.2231000                  ?              ?              ?              ?
  1 1 1      11    7    7 o    8.572000      0.1458000       8.615000 0.2061000       8.529000      0.2063000      0.8513000E-01  0.2916000
  1 1 1      11    7    8 o    12.52000      0.2584000                  ?       ?   12.52000      0.2584000                  ?              ?
  1 1 1      11    7    9 o    9.941000      0.1518000       9.906000 0.2139000       9.976000      0.2154000     -0.7048000E-01  0.3036000
  1 1 1      11    7   10 o    12.30000      0.1756000       12.38000 0.2485000       12.21000      0.2483000      0.1692000      0.3513000
  1 1 1      11    7   11 o    5.041000      0.1468000       4.786000 0.1451000       5.295000      0.2553000     -0.5084000      0.2937000
  1 1 1      11    7   12 o    6.874000      0.1280000       6.867000 0.1642000       6.882000      0.1963000     -0.1556000E-01  0.2559000
  1 1 1      11    7   13 o    12.52000      0.2133000       12.43000 0.2649000       12.61000      0.3344000     -0.1827000      0.4266000
  1 1 1      11    7   14 f    6.556000      0.1406000       6.790000 0.1874000       6.321000      0.2096000      0.4688000      0.2811000
  1 1 1      11    7   15 o    6.955000      0.1182000       7.022000 0.1640000       6.888000      0.1703000      0.1337000      0.2364000
  1 1 1      11    7   16 o    6.974000      0.1189000       6.973000 0.1711000       6.975000      0.1652000     -0.1651000E-02  0.2378000
  1 1 1      11    7   17 f    4.682000      0.2094000       4.785000 0.2297000       4.579000      0.3501000      0.2063000      0.4187000
  1 1 1      11    7   18 o    4.972000      0.1714000       5.014000 0.2607000       4.930000      0.2227000      0.8375000E-01  0.3429000
  1 1 1      11    7   19 o    13.73000      0.2519000       13.44000 0.3913000       14.01000      0.3173000     -0.5652000      0.5038000
  1 1 1      11    7   20 o    3.765000      0.4945000       2.867000 0.9503000       4.663000      0.2742000      -1.795000      0.9891000
  1 1 1      11    7   21 o    5.216000      0.1908000       5.463000 0.2911000       4.969000      0.2469000      0.4937000      0.3817000
  1 1 1      11    7   22 o    6.496000      0.1596000       6.305000 0.2381000       6.686000      0.2128000     -0.3808000      0.3193000
  1 1 1      11    7   23 o    3.415000      0.2356000       3.147000 0.3617000       3.684000      0.3021000     -0.5367000      0.4712000
  1 1 1      11    7   24 o    11.03000      0.1761000       11.15000 0.2479000       10.92000      0.2503000      0.2230000      0.3522000
  1 1 1      11    7   25 o    3.486000      0.2251000       3.779000 0.2746000       3.193000      0.3569000      0.5858000      0.4503000
  1 1 1      11    7   26 o    6.778000      0.1645000       6.711000 0.2213000       6.844000      0.2433000     -0.1336000      0.3289000
  1 1 1      11    7   27 o    7.677000      0.2136000       7.656000 0.2925000       7.699000      0.3115000     -0.4289000E-01  0.4273000
  1 1 1      11    7   28 o    1.383000      0.3885000       1.054000 0.4801000       1.711000      0.6108000     -0.6565000      0.7770000
  1 1 1      11    7   29 o    9.539000      0.1850000       9.236000 0.2525000       9.841000      0.2703000     -0.6047000      0.3699000
  1 1 1      11    7   30 o    3.479000      0.5465000       4.007000 0.6648000       2.950000      0.8674000       1.058000       1.093000
  1 1 1      11    7   31 o    8.008000      0.3202000       7.794000 0.4451000       8.222000      0.4606000     -0.4280000      0.6405000
  1 1 1      11    7   32 o    4.749000      0.2714000       5.030000 0.3432000       4.468000      0.4204000      0.5621000      0.5427000
  1 1 1      11    7   33 o    1.777000      0.4750000       1.962000 0.6715000       1.593000      0.6721000      0.3695000      0.9501000
  1 1 1      11    7   34 o    6.493000      0.2438000       6.629000 0.3166000       6.357000      0.3709000      0.2721000      0.4876000
  1 1 1      11    7   35 o    1.617000      0.4826000       1.653000 0.6815000       1.581000      0.6834000      0.7240000E-01  0.9651000
  1 1 1      11    7   36 o    4.046000      0.3200000       3.396000 0.4356000       4.695000      0.4688000      -1.300000      0.6399000
  1 1 1      11    8    0 f    10.23000      0.1771000       10.32000 0.2513000       10.14000      0.2496000      0.1716000      0.3542000
  1 1 1      11    8    1 o    3.814000      0.2077000       4.061000 0.2832000       3.568000      0.3039000      0.4933000      0.4154000
  1 1 1      11    8    2 o    17.59000      0.3566000       17.46000 0.4999000       17.71000      0.5087000     -0.2471000      0.7132000
  1 1 1      11    8    3 o    16.13000      0.2873000       15.76000 0.3218000       16.49000      0.4760000     -0.7265000      0.5746000
  1 1 1      11    8    4 o    25.07000      0.3435000       24.92000 0.4830000       25.23000      0.4886000     -0.3101000      0.6870000
  1 1 1      11    8    5 o    5.445000      0.1508000       5.555000 0.2130000       5.335000      0.2136000      0.2197000      0.3016000
  1 1 1      11    8    6 o    17.89000      0.2504000       17.80000 0.3527000       17.97000      0.3557000     -0.1680000      0.5009000
  1 1 1      11    8    7 o    18.87000      0.2619000       18.83000 0.3686000       18.91000      0.3721000     -0.8241000E-01  0.5238000
  1 1 1      11    8    8 o    5.162000      0.1601000       5.214000 0.2612000       5.110000      0.1852000      0.1035000      0.3202000
  1 1 1      11    8    9 o    12.25000      0.1773000       12.28000 0.2512000       12.21000      0.2502000      0.7389000E-01  0.3545000
  1 1 1      11    8   10 o    8.598000      0.1349000       8.698000 0.1911000       8.498000      0.1905000      0.1994000      0.2698000
  1 1 1      11    8   11 o    11.42000      0.1653000       11.48000 0.2314000       11.37000      0.2362000      0.1139000      0.3307000
  1 1 1      11    8   12 o    5.700000      0.1406000       5.696000 0.1709000       5.705000      0.2232000     -0.8953000E-02  0.2811000
  1 1 1      11    8   13 o    8.249000      0.1677000       8.352000 0.2203000       8.147000      0.2528000      0.2044000      0.3353000
  1 1 1      11    8   14 o    12.49000      0.2224000       12.39000 0.2731000       12.59000      0.3511000     -0.1956000      0.4448000
  1 1 1      11    8   15 o    14.26000      0.2425000       14.29000 0.2863000       14.23000      0.3915000      0.5821000E-01  0.4850000
  1 1 1      11    8   16 o    2.421000      0.2055000       2.380000 0.3193000       2.462000      0.2588000     -0.8136000E-01  0.4110000
  1 1 1      11    8   17 o    3.383000      0.1782000       3.485000 0.2612000       3.281000      0.2424000      0.2041000      0.3564000
  1 1 1      11    8   18 o    9.629000      0.1972000       9.985000 0.3087000       9.273000      0.2455000      0.7127000      0.3944000
  1 1 1      11    8   19 o    9.716000      0.2117000       10.08000 0.3224000       9.352000      0.2746000      0.7274000      0.4235000
  1 1 1      11    8   20 o    9.138000      0.2073000       9.321000 0.3221000       8.955000      0.2609000      0.3658000      0.4145000
  1 1 1      11    8   21 o    4.616000      0.2289000       4.755000 0.3570000       4.477000      0.2867000      0.2777000      0.4578000
  1 1 1      11    8   22 o    7.578000      0.1748000       7.562000 0.2544000       7.594000      0.2399000     -0.3158000E-01  0.3497000
  1 1 1      11    8   23 o    6.272000      0.1791000       6.196000 0.2671000       6.348000      0.2387000     -0.1522000      0.3582000
  1 1 1      11    8   24 o    9.709000      0.2359000       9.607000 0.3323000       9.811000      0.3349000     -0.2038000      0.4718000
  1 1 1      11    8   25 o    1.893000      0.4229000       2.235000 0.5858000       1.550000      0.6101000      0.6853000      0.8458000
  1 1 1      11    8   26 o    1.903000      0.3692000       1.356000 0.5748000       2.449000      0.4634000      -1.093000      0.7383000
  1 1 1      11    8   27 o    6.456000      0.1740000       6.815000 0.2331000       6.096000      0.2583000      0.7187000      0.3479000
  1 1 1      11    8   28 o    2.793000      0.3128000       2.985000 0.3751000       2.601000      0.5008000      0.3832000      0.6257000
  1 1 1      11    8   29 o    5.772000      0.3402000       6.240000 0.4330000       5.305000      0.5249000      0.9344000      0.6804000
  1 1 1      11    8   30 o    4.033000      0.4879000       3.101000 0.7880000       4.966000      0.5757000      -1.865000      0.9759000
  1 1 1      11    8   31 o    8.602000      0.2009000       8.689000 0.2703000       8.515000      0.2972000      0.1744000      0.4018000
  1 1 1      11    8   32 o    4.973000      0.2601000       4.823000 0.3559000       5.124000      0.3795000     -0.3010000      0.5203000
  1 1 1      11    8   33 o    2.653000      0.4651000       2.474000 0.6510000       2.831000      0.6644000     -0.3574000      0.9302000
  1 1 1      11    8   34 o    5.749000      0.2592000       5.304000 0.3714000       6.194000      0.3617000     -0.8897000      0.5185000
  1 1 1      11    8   35 o    3.034000      0.4662000       3.780000 0.4999000       2.288000      0.7871000       1.492000      0.9324000
  1 1 1      11    8   36 f    1.720000      0.4881000       1.371000 0.6253000       2.069000      0.7496000     -0.6974000      0.9762000
  1 1 1      11    9    0 o    23.15000      0.4549000       22.96000 0.6394000       23.34000      0.6472000     -0.3821000      0.9098000
  1 1 1      11    9    1 o    16.13000      0.2365000       16.21000 0.3352000       16.04000      0.3337000      0.1713000      0.4730000
  1 1 1      11    9    2 o    16.00000      0.2331000       16.05000 0.3303000       15.95000      0.3291000      0.9919000E-01  0.4663000
  1 1 1      11    9    3 o    18.58000      0.3735000       18.39000 0.5219000       18.78000      0.5346000     -0.3952000      0.7471000
  1 1 1      11    9    4 o    16.53000      0.3362000       16.96000 0.4846000       16.09000      0.4662000      0.8678000      0.6724000
  1 1 1      11    9    5 o    7.247000      0.1445000       7.385000 0.2047000       7.109000      0.2040000      0.2755000      0.2890000
  1 1 1      11    9    6 o    6.373000      0.1422000       6.403000 0.1999000       6.343000      0.2023000      0.5993000E-01  0.2844000
  1 1 1      11    9    7 o    6.728000      0.1380000       6.561000 0.1938000       6.896000      0.1965000     -0.3344000      0.2760000
  1 1 1      11    9    8 o    13.31000      0.1928000       13.28000 0.2712000       13.35000      0.2742000     -0.7227000E-01  0.3856000
  1 1 1      11    9    9 o    13.02000      0.1869000       12.92000 0.2619000       13.13000      0.2667000     -0.2092000      0.3738000
  1 1 1      11    9   10 o    16.11000      0.2232000       16.00000 0.3126000       16.22000      0.3186000     -0.2270000      0.4464000
  1 1 1      11    9   11 o    10.82000      0.1623000       10.92000 0.2257000       10.73000      0.2332000      0.1938000      0.3246000
  1 1 1      11    9   12 o    8.392000      0.1595000       8.376000 0.2016000       8.408000      0.2473000     -0.3187000E-01  0.3190000
  1 1 1      11    9   13 o    8.618000      0.1761000       8.640000 0.2336000       8.596000      0.2635000      0.4400000E-01  0.3521000
  1 1 1      11    9   14 o    2.831000      0.1953000       2.660000 0.2866000       3.002000      0.2653000     -0.3420000      0.3906000
  1 1 1      11    9   15 f    5.245000      0.1564000       5.417000 0.2205000       5.074000      0.2219000      0.3431000      0.3128000
  1 1 1      11    9   16 o    4.945000      0.1678000       5.019000 0.2447000       4.871000      0.2297000      0.1486000      0.3356000
  1 1 1      11    9   17 o    5.718000      0.1647000       5.563000 0.2492000       5.872000      0.2154000     -0.3087000      0.3294000
  1 1 1      11    9   18 o    6.518000      0.1755000       6.398000 0.2635000       6.637000      0.2320000     -0.2388000      0.3511000
  1 1 1      11    9   19 o    2.630000      0.3297000       2.196000 0.5344000       3.065000      0.3862000     -0.8686000      0.6593000
  1 1 1      11    9   20 o    3.862000      0.2515000       4.185000 0.3420000       3.539000      0.3689000      0.6460000      0.5030000
  1 1 1      11    9   21 o    4.995000      0.2310000       5.331000 0.3389000       4.659000      0.3140000      0.6719000      0.4620000
  1 1 1      11    9   22 o    6.754000      0.4103000       6.479000 0.6899000       7.030000      0.4442000     -0.5514000      0.8206000
  1 1 1      11    9   23 o    2.862000      0.4912000       2.823000 0.7304000       2.901000      0.6570000     -0.7810000E-01  0.9824000
  1 1 1      11    9   24 o    4.556000      0.2409000       4.888000 0.3530000       4.223000      0.3279000      0.6645000      0.4818000
  1 1 1      11    9   25 o    3.086000      0.4058000       3.360000 0.4542000       2.812000      0.6726000      0.5474000      0.8116000
  1 1 1      11    9   26 o    6.039000      0.2737000       6.641000 0.4833000       5.437000      0.2569000       1.204000      0.5474000
  1 1 1      11    9   27 o    10.95000      0.2981000       10.72000 0.4385000       11.17000      0.4038000     -0.4444000      0.5961000
  1 1 1      11    9   28 o    2.177000      0.5308000       2.187000 0.7300000       2.168000      0.7709000      0.1878000E-01   1.062000
  1 1 1      11    9   29 o    4.470000      0.2429000       4.782000 0.3069000       4.157000      0.3766000      0.6247000      0.4858000
  1 1 1      11    9   30 o    6.395000      0.2030000       5.821000 0.2838000       6.970000      0.2902000      -1.149000      0.4059000
  1 1 1      11    9   31 o    4.526000      0.2700000       4.789000 0.3484000       4.263000      0.4125000      0.5256000      0.5400000
  1 1 1      11    9   32 o    1.698000      0.4708000       1.571000 0.6366000       1.824000      0.6939000     -0.2529000      0.9417000
  1 1 1      11    9   33 o    3.884000      0.3508000       3.479000 0.5169000       4.289000      0.4743000     -0.8094000      0.7015000
  1 1 1      11    9   34 o    4.095000      0.3418000       4.124000 0.4785000       4.066000      0.4883000      0.5728000E-01  0.6837000
  1 1 1      11    9   35 o    3.315000      0.5166000       3.861000 0.5343000       2.769000      0.8844000       1.092000       1.033000
  1 1 1      11    9   36 o    4.421000      0.3454000       4.101000 0.5237000       4.741000      0.4505000     -0.6399000      0.6908000
  1 1 1      11   10    0 f    8.431000      0.2376000       8.592000 0.3464000       8.270000      0.3253000      0.3218000      0.4752000
  1 1 1      11   10    1 o    24.53000      0.4788000       24.77000 0.6838000       24.29000      0.6704000      0.4827000      0.9577000
  1 1 1      11   10    2 o    8.121000      0.2207000       8.164000 0.3140000       8.078000      0.3103000      0.8606000E-01  0.4414000
  1 1 1      11   10    3 o    14.32000      0.2138000       14.34000 0.3029000       14.30000      0.3017000      0.3919000E-01  0.4276000
  1 1 1      11   10    4 o    20.76000      0.2890000       20.49000 0.4038000       21.03000      0.4135000     -0.5349000      0.5779000
  1 1 1      11   10    5 o    18.93000      0.3769000       18.80000 0.5277000       19.06000      0.5382000     -0.2586000      0.7538000
  1 1 1      11   10    6 f    10.26000      0.2392000       10.00000 0.3267000       10.52000      0.3495000     -0.5159000      0.4785000
  1 1 1      11   10    7 o    3.607000      0.2689000       3.911000 0.3280000       3.303000      0.4262000      0.6077000      0.5379000
  1 1 1      11   10    8 o    19.59000      0.3843000       19.95000 0.5512000       19.23000      0.5357000      0.7219000      0.7686000
  1 1 1      11   10    9 o    4.179000      0.1339000       4.275000 0.1741000       4.083000      0.2034000      0.1915000      0.2677000
  1 1 1      11   10   10 o    21.33000      0.2908000       21.51000 0.4137000       21.16000      0.4089000      0.3507000      0.5817000
  1 1 1      11   10   11 o    5.225000      0.1394000       5.472000 0.1766000       4.978000      0.2157000      0.4937000      0.2787000
  1 1 1      11   10   12 o    8.416000      0.1728000       8.163000 0.2096000       8.669000      0.2749000     -0.5052000      0.3457000
  1 1 1      11   10   13 o    1.273000      0.3235000       1.440000 0.4655000       1.107000      0.4494000      0.3329000      0.6471000
  1 1 1      11   10   14 o    4.567000      0.1741000       4.583000 0.2528000       4.551000      0.2395000      0.3236000E-01  0.3482000
  1 1 1      11   10   15 o    6.009000      0.1732000       5.973000 0.2425000       6.045000      0.2474000     -0.7149000E-01  0.3464000
  1 1 1      11   10   16 o    5.311000      0.1891000       5.236000 0.2821000       5.386000      0.2520000     -0.1497000      0.3782000
  1 1 1      11   10   18 o    3.168000      0.6502000       2.142000 0.8623000       4.194000      0.9735000      -2.052000       1.300000
  1 1 1      11   10   19 o    4.088000      0.7655000       3.189000 1.192000       4.986000      0.9611000      -1.797000       1.531000
  1 1 1      11   10   20 f    4.410000      0.7682000       3.265000 1.197000       5.555000      0.9629000      -2.291000       1.536000
  1 1 1      11   10   21 o    5.820000      0.2290000       5.820000 0.3443000       5.820000      0.3020000      0.1020000E-03  0.4580000
  1 1 1      11   10   22 o    4.143000      0.2936000       4.473000 0.4367000       3.814000      0.3925000      0.6595000      0.5872000
  1 1 1      11   10   23 o    8.408000      0.2071000       8.349000 0.3135000       8.467000      0.2708000     -0.1181000      0.4143000
  1 1 1      11   10   24 o    12.40000      0.2943000       12.58000 0.4291000       12.21000      0.4028000      0.3662000      0.5885000
  1 1 1      11   10   25 o    8.807000      0.2789000       8.497000 0.4194000       9.117000      0.3679000     -0.6200000      0.5579000
  1 1 1      11   10   26 o    10.70000      0.2974000       10.77000 0.4369000       10.62000      0.4034000      0.1483000      0.5947000
  1 1 1      11   10   27 o    3.091000      0.3487000       3.091000 0.5062000       3.090000      0.4799000      0.5593000E-03  0.6975000
  1 1 1      11   10   28 o    1.305000      0.4089000       1.380000 0.6027000       1.229000      0.5528000      0.1513000      0.8178000
  1 1 1      11   10   29 o    2.308000      0.4274000       1.705000 0.6526000       2.912000      0.5521000      -1.206000      0.8548000
  1 1 1      11   10   30 o    1.231000      0.3973000       1.132000 0.5258000       1.329000      0.5959000     -0.1976000      0.7947000
  1 1 1      11   10   31 o    1.604000      0.4446000       1.321000 0.5769000       1.886000      0.6767000     -0.5649000      0.8892000
  1 1 1      11   10   32 o    2.951000      0.4255000       3.579000 0.4638000       2.322000      0.7134000       1.257000      0.8509000
  1 1 1      11   10   33 o    8.040000      0.2163000       7.968000 0.2904000       8.111000      0.3206000     -0.1432000      0.4326000
  1 1 1      11   10   34 o    4.535000      0.3239000       4.905000 0.3951000       4.165000      0.5134000      0.7404000      0.6478000
  1 1 1      11   10   35 f    3.637000      0.5563000       3.637000 0.5563000                  ?              ?              ?              ?
  1 1 1      11   10   36 o    4.463000      0.3540000       4.883000 0.4306000       4.043000      0.5619000      0.8406000      0.7079000
  1 1 1      11   11    0 o    25.44000      0.3519000       25.50000 0.4985000       25.38000      0.4968000      0.1172000      0.7038000
  1 1 1      11   11    1 o    10.89000      0.1843000       10.72000 0.2585000       11.06000      0.2628000     -0.3459000      0.3686000
  1 1 1      11   11    2 o    2.736000      0.3749000       2.325000 0.6243000       3.146000      0.4152000     -0.8208000      0.7498000
  1 1 1      11   11    4 o    9.268000      0.2250000       9.377000 0.3252000       9.160000      0.3110000      0.2169000      0.4500000
  1 1 1      11   11    5 o    4.071000      0.1774000       3.903000 0.2638000       4.239000      0.2372000     -0.3361000      0.3548000
  1 1 1      11   11    6 o    2.769000      0.2144000       2.747000 0.3187000       2.791000      0.2869000     -0.4379000E-01  0.4288000
  1 1 1      11   11    7 o    5.812000      0.1965000       5.812000 0.1965000                  ?              ?              ?              ?
  1 1 1      11   11    8 o    9.727000      0.1540000       9.578000 0.2146000       9.875000      0.2209000     -0.2974000      0.3080000
  1 1 1      11   11    9 o    10.60000      0.2291000                  ?       ?   10.60000      0.2291000                  ?              ?
  1 1 1      11   11   10 o    8.093000      0.1404000       8.005000 0.1895000       8.182000      0.2073000     -0.1776000      0.2809000
  1 1 1      11   11   11 o    5.960000      0.1753000       6.043000 0.2400000       5.877000      0.2555000      0.1651000      0.3505000
  1 1 1      11   11   12 o    7.896000      0.1861000       8.031000 0.2658000       7.762000      0.2606000      0.2696000      0.3722000
  1 1 1      11   11   13 o    9.882000      0.2108000       9.917000 0.3009000       9.846000      0.2954000      0.7118000E-01  0.4217000
  1 1 1      11   11   14 o    4.062000      0.2223000       4.188000 0.3418000       3.936000      0.2843000      0.2528000      0.4446000
  1 1 1      11   11   15 o    1.314000      0.3577000       1.017000 0.4707000       1.610000      0.5388000     -0.5932000      0.7154000
  1 1 1      11   11   16 o    4.738000      0.2318000       4.915000 0.3285000       4.561000      0.3271000      0.3543000      0.4635000
  1 1 1      11   11   17 o    7.808000      0.1977000       8.070000 0.3073000       7.545000      0.2489000      0.5250000      0.3954000
  1 1 1      11   11   18 o    5.737000      0.2027000       5.841000 0.2874000       5.634000      0.2858000      0.2074000      0.4053000
  1 1 1      11   11   19 o    7.843000      0.1960000       7.719000 0.2850000       7.967000      0.2692000     -0.2489000      0.3920000
  1 1 1      11   11   20 o    6.030000      0.2180000       6.048000 0.3221000       6.013000      0.2937000      0.3549000E-01  0.4359000
  1 1 1      11   11   21 o    1.956000      0.4486000       1.725000 0.6617000       2.187000      0.6060000     -0.4619000      0.8973000
  1 1 1      11   11   22 o    5.287000      0.2778000       5.028000 0.4295000       5.545000      0.3526000     -0.5164000      0.5557000
  1 1 1      11   11   23 o    8.285000      0.2599000       8.567000 0.3851000       8.003000      0.3491000      0.5639000      0.5198000
  1 1 1      11   11   24 o    1.879000      0.4714000       2.307000 0.7175000       1.450000      0.6117000      0.8571000      0.9428000
  1 1 1      11   11   25 o    1.479000      0.4343000       1.705000 0.6698000       1.254000      0.5531000      0.4506000      0.8686000
  1 1 1      11   11   26 o    2.326000      0.4277000       1.679000 0.6731000       2.973000      0.5279000      -1.294000      0.8554000
  1 1 1      11   11   27 o    6.054000      0.2297000       5.976000 0.3443000       6.132000      0.3041000     -0.1557000      0.4594000
  1 1 1      11   11   28 o    1.428000      0.4275000       1.469000 0.6148000       1.388000      0.5942000      0.8055000E-01  0.8550000
  1 1 1      11   11   29 o    2.773000      0.4260000       2.515000 0.6641000       3.031000      0.5337000     -0.5163000      0.8519000
  1 1 1      11   11   30 o    3.973000      0.3339000       3.713000 0.5155000       4.233000      0.4246000     -0.5202000      0.6678000
  1 1 1      11   11   31 o    5.534000      0.2670000       5.497000 0.3993000       5.570000      0.3545000     -0.7256000E-01  0.5340000
  1 1 1      11   11   32 o    2.501000      0.4768000       2.638000 0.6382000       2.363000      0.7085000      0.2754000      0.9536000
  1 1 1      11   11   33 o    7.686000      0.2234000       7.610000 0.3154000       7.761000      0.3163000     -0.1512000      0.4467000
  1 1 1      11   11   34 o    6.351000      0.2501000       6.481000 0.3307000       6.221000      0.3753000      0.2604000      0.5002000
  1 1 1      11   11   35 o    2.838000      0.4930000       3.031000 0.6485000       2.645000      0.7426000      0.3862000      0.9859000
  1 1 1      11   11   36 o    1.998000      0.8436000                  ?       ?   1.998000      0.8436000                  ?              ?
  1 1 1      11   12    0 o    12.70000      0.2030000       12.91000 0.2894000       12.49000      0.2846000      0.4203000      0.4059000
  1 1 1      11   12    1 f    17.10000      0.2491000       16.86000 0.3481000       17.34000      0.3564000     -0.4728000      0.4982000
  1 1 1      11   12    2 o    7.318000      0.1655000       7.323000 0.2345000       7.313000      0.2336000      0.1003000E-01  0.3310000
  1 1 1      11   12    3 o    8.147000      0.1901000       8.437000 0.2302000       7.857000      0.3026000      0.5793000      0.3803000
  1 1 1      11   12    4 o    2.590000      0.2727000       2.800000 0.3499000       2.380000      0.4184000      0.4203000      0.5454000
  1 1 1      11   12    5 o    12.66000      0.2657000       12.97000 0.3851000       12.36000      0.3661000      0.6075000      0.5314000
  1 1 1      11   12    6 f    1.696000      0.3743000       1.641000 0.5754000       1.752000      0.4790000     -0.1108000      0.7487000
  1 1 1      11   12    7 o    3.686000      0.3244000       3.686000 0.3244000                  ?              ?              ?              ?
  1 1 1      11   12    8 o    4.125000      0.1926000       3.893000 0.2726000       4.357000      0.2722000     -0.4643000      0.3852000
  1 1 1      11   12    9 o    5.780000      0.2821000                  ?       ?   5.780000      0.2821000                  ?              ?
  1 1 1      11   12   10 o    5.484000      0.2379000       5.678000 0.2872000       5.290000      0.3793000      0.3876000      0.4758000
  1 1 1      11   12   11 o    6.184000      0.4339000       5.833000 0.4134000       6.535000      0.7630000     -0.7026000      0.8678000
  1 1 1      11   12   12 o    10.64000      0.2838000       11.27000 0.4866000       10.01000      0.2921000       1.253000      0.5675000
  1 1 1      11   12   13 o    6.616000      0.3562000       7.446000 0.6730000       5.785000      0.2336000       1.661000      0.7124000
  1 1 1      11   12   14 o    7.930000      0.7207000       8.229000 0.6213000       7.631000       1.301000      0.5976000       1.441000
  1 1 1      11   12   15 o    2.937000      0.6544000       2.840000 0.7968000       3.035000       1.038000     -0.1953000       1.309000
  1 1 1      11   12   16 o    1.989000      0.5402000       2.067000 0.7437000       1.912000      0.7837000      0.1554000       1.080000
  1 1 1      11   12   17 o    5.746000      0.2595000       5.313000 0.3431000       6.178000      0.3895000     -0.8646000      0.5191000
  1 1 1      11   12   18 o    1.879000      0.4118000       2.166000 0.5594000       1.593000      0.6045000      0.5727000      0.8236000
  1 1 1      11   12   19 f    8.706000      0.2236000       8.960000 0.3243000       8.453000      0.3080000      0.5065000      0.4472000
  1 1 1      11   12   20 f    1.950000      0.4237000       1.697000 0.6319000       2.203000      0.5644000     -0.5063000      0.8473000
  1 1 1      11   12   21 o    6.587000      0.2271000       6.763000 0.3350000       6.411000      0.3065000      0.3516000      0.4541000
  1 1 1      11   12   22 o    4.658000      0.2863000       4.554000 0.4396000       4.762000      0.3669000     -0.2075000      0.5726000
  1 1 1      11   12   23 o    14.07000      0.2768000       14.41000 0.4491000       13.72000      0.3238000      0.6923000      0.5537000
  1 1 1      11   12   24 o    5.626000      0.2823000       5.562000 0.4340000       5.691000      0.3611000     -0.1286000      0.5646000
  1 1 1      11   12   25 o    5.401000      0.2687000       5.250000 0.4161000       5.551000      0.3401000     -0.3007000      0.5374000
  1 1 1      11   12   26 o    7.686000      0.2104000       7.835000 0.3095000       7.537000      0.2852000      0.2978000      0.4209000
  1 1 1      11   12   27 o    6.369000      0.2380000       6.244000 0.3591000       6.493000      0.3123000     -0.2491000      0.4759000
  1 1 1      11   12   28 o    4.609000      0.3007000       4.411000 0.4695000       4.808000      0.3760000     -0.3970000      0.6015000
  1 1 1      11   12   29 o    2.246000      0.4624000       1.650000 0.6766000       2.842000      0.6304000      -1.192000      0.9248000
  1 1 1      11   12   30 o    2.595000      0.4616000       2.054000 0.7073000       3.135000      0.5932000      -1.081000      0.9232000
  1 1 1      11   12   31 o    9.314000      0.2200000       9.222000 0.3209000       9.406000      0.3011000     -0.1839000      0.4401000
  1 1 1      11   12   32 o    4.860000      0.3177000       5.120000 0.4363000       4.600000      0.4618000      0.5201000      0.6353000
  1 1 1      11   12   33 o    4.074000      0.3560000       4.200000 0.4679000       3.949000      0.5367000      0.2517000      0.7120000
  1 1 1      11   12   34 o    3.282000      0.4577000       2.901000 0.6868000       3.663000      0.6052000     -0.7624000      0.9154000
  1 1 1      11   12   35 o    1.797000      0.5207000       1.846000 0.7361000       1.748000      0.7368000      0.9728000E-01   1.041000
  1 1 1      11   13    0 o    17.64000      0.2568000       17.65000 0.3635000       17.62000      0.3630000      0.3071000E-01  0.5137000
  1 1 1      11   13    1 o    14.77000      0.2226000       14.81000 0.3152000       14.73000      0.3145000      0.7825000E-01  0.4453000
  1 1 1      11   13    2 o    11.04000      0.1856000       10.83000 0.2584000       11.25000      0.2666000     -0.4283000      0.3713000
  1 1 1      11   13    3 f    10.57000      0.1780000       10.38000 0.2492000       10.76000      0.2542000     -0.3806000      0.3560000
  1 1 1      11   13    4 o    4.236000      0.1807000       4.158000 0.2533000       4.315000      0.2577000     -0.1574000      0.3613000
  1 1 1      11   13    5 o    6.569000      0.1493000       6.400000 0.2129000       6.739000      0.2093000     -0.3385000      0.2985000
  1 1 1      11   13    6 o    4.718000      0.1551000       4.757000 0.2218000       4.678000      0.2167000      0.7953000E-01  0.3101000
  1 1 1      11   13    7 o    1.497000      0.3250000       1.637000 0.4516000       1.357000      0.4675000      0.2800000      0.6500000
  1 1 1      11   13    8 o    2.566000      0.2365000       2.940000 0.2638000       2.191000      0.3925000      0.7484000      0.4729000
  1 1 1      11   13    9 o    13.46000      0.1991000       13.21000 0.2732000       13.72000      0.2897000     -0.5161000      0.3982000
  1 1 1      11   13   10 o    10.53000      0.1740000       10.37000 0.2326000       10.70000      0.2587000     -0.3263000      0.3480000
  1 1 1      11   13   11 o    3.979000      0.2041000       4.004000 0.2693000       3.954000      0.3068000      0.5050000E-01  0.4082000
  1 1 1      11   13   12 o    6.029000      0.1789000       5.875000 0.2481000       6.183000      0.2579000     -0.3078000      0.3579000
  1 1 1      11   13   13 o    2.340000      0.3743000       2.670000 0.5014000       2.011000      0.5558000      0.6597000      0.7486000
  1 1 1      11   13   14 o    2.400000      0.4080000       2.625000 0.5848000       2.176000      0.5692000      0.4485000      0.8161000
  1 1 1      11   13   15 o    3.248000      0.4123000       2.737000 0.7033000       3.760000      0.4307000      -1.023000      0.8246000
  1 1 1      11   13   16 o    1.942000      0.5041000       1.580000 0.6867000       2.303000      0.7382000     -0.7230000       1.008000
  1 1 1      11   13   17 o    1.088000      0.3668000       1.078000 0.5080000       1.098000      0.5292000     -0.2091000E-01  0.7336000
  1 1 1      11   13   18 o    9.983000      0.2217000       9.991000 0.3325000       9.975000      0.2934000      0.1622000E-01  0.4435000
  1 1 1      11   13   19 o    7.226000      0.2259000       7.508000 0.3300000       6.944000      0.3087000      0.5640000      0.4519000
  1 1 1      11   13   20 o    5.981000      0.2322000       6.335000 0.3405000       5.627000      0.3157000      0.7081000      0.4643000
  1 1 1      11   13   21 o    7.587000      0.2285000       7.489000 0.3382000       7.685000      0.3074000     -0.1957000      0.4570000
  1 1 1      11   13   22 o    3.915000      0.3287000       4.185000 0.4699000       3.646000      0.4599000      0.5387000      0.6575000
  1 1 1      11   13   23 o    8.672000      0.2348000       8.827000 0.3573000       8.518000      0.3048000      0.3091000      0.4697000
  1 1 1      11   13   24 o    3.375000      0.4311000       3.477000 0.6360000       3.272000      0.5820000      0.2048000      0.8621000
  1 1 1      11   13   25 o    3.405000      0.4545000       3.400000 0.6944000       3.410000      0.5866000     -0.1019000E-01  0.9090000
  1 1 1      11   13   26 o    8.315000      0.2718000       8.966000 0.4389000       7.665000      0.3205000       1.301000      0.5435000
  1 1 1      11   13   27 o    5.214000      0.2846000       5.298000 0.4288000       5.130000      0.3742000      0.1672000      0.5692000
  1 1 1      11   13   28 o    7.198000      0.2420000       7.000000 0.3715000       7.397000      0.3102000     -0.3978000      0.4840000
  1 1 1      11   13   29 o    3.481000      0.4312000       3.487000 0.6516000       3.474000      0.5648000      0.1337000E-01  0.8623000
  1 1 1      11   13   30 o    3.087000      0.4805000       3.377000 0.6424000       2.798000      0.7147000      0.5789000      0.9610000
  1 1 1      11   13   31 f    3.775000      0.3827000       4.244000 0.5096000       3.305000      0.5711000      0.9389000      0.7655000
  1 1 1      11   13   32 o    4.487000      0.3625000       3.908000 0.5853000       5.065000      0.4277000      -1.157000      0.7249000
  1 1 1      11   13   33 f    3.335000      0.4841000       3.013000 0.7442000       3.657000      0.6193000     -0.6439000      0.9682000
  1 1 1      11   13   34 o    1.795000      0.5278000       1.811000 0.7418000       1.779000      0.7510000      0.3139000E-01   1.056000
  1 1 1      11   13   35 o    2.526000      0.5562000       2.460000 0.7876000       2.591000      0.7856000     -0.1311000       1.112000
  1 1 1      11   14    0 f    2.766000      0.3048000       2.831000 0.4404000       2.701000      0.4214000      0.1297000      0.6096000
  1 1 1      11   14    1 o    4.921000      0.1904000       4.823000 0.2820000       5.019000      0.2560000     -0.1959000      0.3809000
  1 1 1      11   14    2 o    3.663000      0.2622000       3.887000 0.3070000       3.439000      0.4253000      0.4479000      0.5245000
  1 1 1      11   14    3 o    2.911000      0.2474000       2.875000 0.3569000       2.947000      0.3427000     -0.7174000E-01  0.4948000
  1 1 1      11   14    4 o    7.210000      0.1569000       7.289000 0.2204000       7.130000      0.2233000      0.1589000      0.3137000
  1 1 1      11   14    5 o    8.087000      0.1523000       8.036000 0.2144000       8.137000      0.2163000     -0.1008000      0.3045000
  1 1 1      11   14    6 o    11.40000      0.1769000       11.28000 0.2472000       11.52000      0.2532000     -0.2346000      0.3538000
  1 1 1      11   14    7 o    9.892000      0.1603000       9.791000 0.2215000       9.993000      0.2317000     -0.2022000      0.3205000
  1 1 1      11   14    8 o    6.608000      0.1468000       6.420000 0.1984000       6.796000      0.2164000     -0.3767000      0.2935000
  1 1 1      11   14    9 o    6.626000      0.1514000       6.573000 0.1998000       6.679000      0.2276000     -0.1059000      0.3028000
  1 1 1      11   14   10 o    3.820000      0.2200000       3.312000 0.3165000       4.327000      0.3055000      -1.015000      0.4399000
  1 1 1      11   14   11 o    2.020000      0.3609000       2.021000 0.5002000       2.019000      0.5205000      0.2432000E-02  0.7219000
  1 1 1      11   14   12 o    3.204000      0.2699000       2.749000 0.4250000       3.658000      0.3327000     -0.9093000      0.5398000
  1 1 1      11   14   13 o    5.339000      0.2335000       5.295000 0.3536000       5.383000      0.3050000     -0.8809000E-01  0.4670000
  1 1 1      11   14   14 o    8.404000      0.2154000       8.620000 0.3061000       8.188000      0.3032000      0.4323000      0.4308000
  1 1 1      11   14   15 o    9.078000      0.2383000       8.913000 0.3353000       9.244000      0.3388000     -0.3306000      0.4767000
  1 1 1      11   14   16 o    2.632000      0.5429000       2.938000 0.7446000       2.327000      0.7902000      0.6115000       1.086000
  1 1 1      11   14   17 o    3.557000      0.3918000       3.084000 0.6093000       4.030000      0.4927000     -0.9456000      0.7835000
  1 1 1      11   14   18 o    7.015000      0.2428000       7.361000 0.3392000       6.669000      0.3476000      0.6919000      0.4856000
  1 1 1      11   14   19 o    5.435000      0.2517000       5.345000 0.3591000       5.525000      0.3527000     -0.1791000      0.5034000
  1 1 1      11   14   20 o    6.367000      0.2353000       6.431000 0.3485000       6.304000      0.3163000      0.1267000      0.4706000
  1 1 1      11   14   21 o    1.776000      0.4467000       2.258000 0.6863000       1.293000      0.5719000      0.9655000      0.8934000
  1 1 1      11   14   22 o    8.542000      0.2441000       8.536000 0.3652000       8.548000      0.3241000     -0.1184000E-01  0.4883000
  1 1 1      11   14   23 o    6.823000      0.2578000       6.862000 0.3924000       6.785000      0.3345000      0.7741000E-01  0.5156000
  1 1 1      11   14   24 o    12.08000      0.2480000       12.31000 0.3733000       11.85000      0.3266000      0.4538000      0.4960000
  1 1 1      11   14   25 o    2.162000      0.5090000       2.907000 0.7997000       1.416000      0.6300000       1.491000       1.018000
  1 1 1      11   14   26 o    4.704000      0.3582000       4.754000 0.5484000       4.655000      0.4610000      0.9856000E-01  0.7164000
  1 1 1      11   14   27 o    7.318000      0.2539000       7.229000 0.3860000       7.408000      0.3298000     -0.1786000      0.5078000
  1 1 1      11   14   28 o    4.440000      0.3516000       4.388000 0.5480000       4.493000      0.4405000     -0.1046000      0.7031000
  1 1 1      11   14   29 o    3.404000      0.4866000       3.437000 0.7508000       3.372000      0.6191000      0.6512000E-01  0.9732000
  1 1 1      11   14   30 o    3.394000      0.4833000       4.040000 0.6394000       2.748000      0.7250000       1.292000      0.9667000
  1 1 1      11   14   31 o    3.515000      0.4849000       3.454000 0.7517000       3.576000      0.6128000     -0.1213000      0.9699000
  1 1 1      11   14   32 o    1.486000      0.4742000       1.478000 0.6732000       1.493000      0.6681000     -0.1513000E-01  0.9484000
  1 1 1      11   14   33 o    3.994000      0.4356000       3.699000 0.6742000       4.289000      0.5519000     -0.5901000      0.8713000
  1 1 1      11   14   34 o    2.214000      0.6208000       1.793000 0.7540000       2.636000      0.9864000     -0.8428000       1.242000
  1 1 1      11   14   35 o    1.607000      0.5397000       1.515000 0.7309000       1.700000      0.7942000     -0.1852000       1.079000
  1 1 1      11   15    0 o    11.58000      0.1936000       11.84000 0.2793000       11.31000      0.2682000      0.5336000      0.3872000
  1 1 1      11   15    1 f    4.289000      0.2064000       4.361000 0.2968000       4.218000      0.2869000      0.1426000      0.4128000
  1 1 1      11   15    2 o    2.669000      0.2932000       2.885000 0.4006000       2.453000      0.4282000      0.4327000      0.5863000
  1 1 1      11   15    3 o    9.866000      0.1715000       9.806000 0.2407000       9.925000      0.2445000     -0.1191000      0.3431000
  1 1 1      11   15    4 f    3.486000      0.2051000       3.372000 0.2923000       3.600000      0.2877000     -0.2278000      0.4101000
  1 1 1      11   15    5 o    16.08000      0.2307000       16.05000 0.3251000       16.10000      0.3274000     -0.4837000E-01  0.4614000
  1 1 1      11   15    6 o    15.40000      0.2216000       15.71000 0.3162000       15.10000      0.3106000      0.6013000      0.4433000
  1 1 1      11   15    7 o    6.407000      0.1464000       6.432000 0.1951000       6.383000      0.2184000      0.4857000E-01  0.2928000
  1 1 1      11   15    8 o    2.206000      0.2858000       2.415000 0.3752000       1.996000      0.4311000      0.4185000      0.5715000
  1 1 1      11   15    9 o    4.150000      0.1929000       3.998000 0.2608000       4.302000      0.2843000     -0.3041000      0.3858000
  1 1 1      11   15   10 o    1.919000      0.3899000       1.879000 0.5185000       1.960000      0.5824000     -0.8099000E-01  0.7798000
  1 1 1      11   15   11 o    6.745000      0.1880000       6.867000 0.2565000       6.624000      0.2749000      0.2434000      0.3760000
  1 1 1      11   15   12 o    6.635000      0.1980000       6.775000 0.2798000       6.495000      0.2804000      0.2794000      0.3961000
  1 1 1      11   15   13 f    1.347000      0.4064000       1.200000 0.5569000       1.494000      0.5919000     -0.2942000      0.8128000
  1 1 1      11   15   14 o    3.534000      0.3509000       3.641000 0.5221000       3.427000      0.4690000      0.2144000      0.7018000
  1 1 1      11   15   15 o    7.978000      0.2583000       7.923000 0.3760000       8.033000      0.3541000     -0.1101000      0.5165000
  1 1 1      11   15   16 o    1.914000      0.5571000       2.260000 0.8566000       1.567000      0.7124000      0.6933000       1.114000
  1 1 1      11   15   17 o    3.841000      0.3848000       4.125000 0.5016000       3.557000      0.5837000      0.5679000      0.7696000
  1 1 1      11   15   18 o    1.445000      0.4598000       1.481000 0.6557000       1.409000      0.6449000      0.7198000E-01  0.9197000
  1 1 1      11   15   19 o    2.770000      0.4410000       3.244000 0.5592000       2.295000      0.6820000      0.9488000      0.8820000
  1 1 1      11   15   20 o    3.907000      0.3501000       3.997000 0.4882000       3.817000      0.5019000      0.1800000      0.7001000
  1 1 1      11   15   21 o    8.808000      0.2406000       8.543000 0.3516000       9.072000      0.3286000     -0.5283000      0.4813000
  1 1 1      11   15   22 o    11.58000      0.2633000       11.77000 0.4002000       11.39000      0.3422000      0.3882000      0.5265000
  1 1 1      11   15   23 o    3.193000      0.4564000       3.418000 0.6638000       2.968000      0.6265000      0.4502000      0.9127000
  1 1 1      11   15   24 f    6.544000      0.2751000       6.296000 0.4210000       6.791000      0.3542000     -0.4950000      0.5502000
  1 1 1      11   15   25 o    12.47000      0.2577000       12.36000 0.3886000       12.58000      0.3387000     -0.2229000      0.5154000
  1 1 1      11   15   26 o    5.547000      0.3231000       5.613000 0.4963000       5.481000      0.4137000      0.1319000      0.6461000
  1 1 1      11   15   27 o    2.965000      0.5402000       2.595000 0.8706000       3.334000      0.6397000     -0.7394000       1.080000
  1 1 1      11   15   28 o    3.740000      0.4665000       3.461000 0.7633000       4.020000      0.5365000     -0.5590000      0.9330000
  1 1 1      11   15   29 o    5.203000      0.3531000       5.019000 0.5535000       5.386000      0.4384000     -0.3678000      0.7061000
  1 1 1      11   15   30 o    6.607000      0.2976000       6.573000 0.4540000       6.640000      0.3849000     -0.6665000E-01  0.5952000
  1 1 1      11   15   31 o    4.675000      0.3955000       4.464000 0.6222000       4.886000      0.4885000     -0.4225000      0.7910000
  1 1 1      11   15   32 o    2.217000      0.6493000       2.536000 0.9708000       1.899000      0.8626000      0.6367000       1.299000
  1 1 1      11   15   33 o    2.858000      0.7112000       2.673000 0.9772000       3.043000       1.034000     -0.3696000       1.422000
  1 1 1      11   15   34 f    2.087000      0.5600000       2.421000 0.8234000       1.752000      0.7592000      0.6690000       1.120000
  1 1 1      11   16    0 o    1.383000      0.3815000       1.287000 0.5380000       1.478000      0.5410000     -0.1914000      0.7629000
  1 1 1      11   16    1 o    2.695000      0.3004000       2.821000 0.4263000       2.569000      0.4232000      0.2520000      0.6007000
  1 1 1      11   16    2 o    6.333000      0.1690000       6.236000 0.2386000       6.430000      0.2394000     -0.1939000      0.3380000
  1 1 1      11   16    3 o    6.218000      0.1637000       6.350000 0.2323000       6.086000      0.2307000      0.2643000      0.3273000
  1 1 1      11   16    4 o    7.151000      0.1580000       7.523000 0.2227000       6.779000      0.2242000      0.7441000      0.3160000
  1 1 1      11   16    5 o    2.177000      0.3097000       2.213000 0.4284000       2.141000      0.4474000      0.7146000E-01  0.6194000
  1 1 1      11   16    6 o    6.401000      0.1517000       6.322000 0.2075000       6.481000      0.2214000     -0.1589000      0.3035000
  1 1 1      11   16    7 o    4.066000      0.1956000       3.974000 0.2579000       4.158000      0.2942000     -0.1840000      0.3913000
  1 1 1      11   16    8 o    5.458000      0.2205000       5.458000 0.2205000                  ?              ?              ?              ?
  1 1 1      11   16    9 o    6.293000      0.1808000       6.290000 0.2327000       6.295000      0.2767000     -0.4695000E-02  0.3616000
  1 1 1      11   16   10 o    6.894000      0.2769000                  ?       ?   6.894000      0.2769000                  ?              ?
  1 1 1      11   16   11 o    1.422000      0.3921000       1.246000 0.5328000       1.598000      0.5753000     -0.3517000      0.7841000
  1 1 1      11   16   12 o    2.671000      0.4049000       2.733000 0.5971000       2.609000      0.5471000      0.1234000      0.8098000
  1 1 1      11   16   13 o    3.100000      0.4006000       2.951000 0.6393000       3.249000      0.4828000     -0.2985000      0.8011000
  1 1 1      11   16   14 o    3.908000      0.3517000       3.762000 0.5503000       4.055000      0.4380000     -0.2930000      0.7033000
  1 1 1      11   16   15 o    4.278000      0.4687000       4.198000 0.7357000       4.358000      0.5810000     -0.1591000      0.9374000
  1 1 1      11   16   16 o    3.027000      0.6001000       3.422000 0.8134000       2.632000      0.8826000      0.7902000       1.200000
  1 1 1      11   16   17 o    3.605000      0.4411000       3.818000 0.5753000       3.392000      0.6687000      0.4269000      0.8821000
  1 1 1      11   16   18 o    1.940000      0.5201000       2.274000 0.7674000       1.605000      0.7021000      0.6685000       1.040000
  1 1 1      11   16   19 o    4.677000      0.3264000       5.271000 0.4263000       4.083000      0.4944000       1.189000      0.6528000
  1 1 1      11   16   20 o    5.778000      0.2788000       5.674000 0.4061000       5.882000      0.3819000     -0.2075000      0.5575000
  1 1 1      11   16   21 o    6.917000      0.2628000       6.991000 0.3851000       6.843000      0.3577000      0.1484000      0.5256000
  1 1 1      11   16   22 o    1.469000      0.4428000       1.984000 0.7496000      0.9545000      0.4717000       1.030000      0.8856000
  1 1 1      11   16   23 o    7.367000      0.2750000       7.810000 0.4124000       6.925000      0.3640000      0.8850000      0.5501000
  1 1 1      11   16   24 o    6.987000      0.2942000       6.850000 0.4560000       7.123000      0.3719000     -0.2735000      0.5884000
  1 1 1      11   16   25 o    12.70000      0.2855000       12.86000 0.4527000       12.54000      0.3480000      0.3225000      0.5710000
  1 1 1      11   16   26 o    2.084000      0.5654000       2.165000 0.8433000       2.003000      0.7533000      0.1616000       1.131000
  1 1 1      11   16   27 o    7.177000      0.2950000       7.155000 0.4610000       7.200000      0.3683000     -0.4483000E-01  0.5900000
  1 1 1      11   16   28 o    8.305000      0.3314000       8.628000 0.5547000       7.982000      0.3628000      0.6455000      0.6629000
  1 1 1      11   16   29 o    2.425000      0.6957000       2.483000 1.013000       2.367000      0.9544000      0.1161000       1.391000
  1 1 1      11   16   30 o    4.189000      0.6623000       3.982000 1.014000       4.395000      0.8517000     -0.4128000       1.325000
  1 1 1      11   16   31 o    4.215000      0.6752000       3.571000 1.038000       4.858000      0.8633000      -1.287000       1.350000
  1 1 1      11   16   32 o    2.781000      0.5908000       2.317000 0.8878000       3.245000      0.7797000     -0.9278000       1.182000
  1 1 1      11   16   33 o    3.161000      0.5591000       3.822000 0.7347000       2.500000      0.8429000       1.322000       1.118000
  1 1 1      11   16   34 o    3.020000      0.6876000       3.468000 0.9718000       2.572000      0.9730000      0.8967000       1.375000
  1 1 1      11   17    0 o    1.966000      0.3805000       1.580000 0.5707000       2.351000      0.5034000     -0.7701000      0.7610000
  1 1 1      11   17    1 o    4.330000      0.2063000       4.152000 0.2986000       4.509000      0.2848000     -0.3574000      0.4126000
  1 1 1      11   17    2 o    6.705000      0.1647000       6.660000 0.2271000       6.751000      0.2386000     -0.9035000E-01  0.3294000
  1 1 1      11   17    3 o    1.639000      0.3739000       1.394000 0.5342000       1.884000      0.5235000     -0.4900000      0.7479000
  1 1 1      11   17    4 o    8.648000      0.1631000       8.713000 0.2289000       8.582000      0.2325000      0.1301000      0.3262000
  1 1 1      11   17    5 o    8.711000      0.1587000       8.868000 0.2198000       8.555000      0.2291000      0.3134000      0.3175000
  1 1 1      11   17    6 o    9.147000      0.1622000       8.945000 0.2215000       9.349000      0.2369000     -0.4038000      0.3243000
  1 1 1      11   17    7 o    8.158000      0.1662000       8.319000 0.2233000       7.996000      0.2464000      0.3225000      0.3325000
  1 1 1      11   17    8 o    2.193000      0.4413000       2.193000 0.4413000                  ?              ?              ?              ?
  1 1 1      11   17    9 o    7.126000      0.1883000       7.303000 0.2472000       6.949000      0.2841000      0.3542000      0.3766000
  1 1 1      11   17   10 o    6.327000      0.2926000                  ?       ?   6.327000      0.2926000                  ?              ?
  1 1 1      11   17   11 o    3.814000      0.2607000       3.886000 0.3540000       3.743000      0.3827000      0.1429000      0.5213000
  1 1 1      11   17   12 o    9.866000      0.2334000       9.858000 0.3261000       9.875000      0.3340000     -0.1678000E-01  0.4668000
  1 1 1      11   17   13 o    9.030000      0.2359000       9.106000 0.3352000       8.955000      0.3319000      0.1501000      0.4717000
  1 1 1      11   17   14 f    1.944000      0.5332000       2.042000 0.7862000       1.846000      0.7206000      0.1964000       1.066000
  1 1 1      11   17   15 o    3.351000      0.5745000       4.004000 0.7791000       2.697000      0.8446000       1.306000       1.149000
  1 1 1      11   17   16 o    3.101000      0.5677000       4.278000 0.7690000       1.925000      0.8353000       2.353000       1.135000
  1 1 1      11   17   17 o    2.565000      0.6143000       2.751000 0.8912000       2.379000      0.8458000      0.3720000       1.229000
  1 1 1      11   17   18 o    6.345000      0.3031000       6.697000 0.4060000       5.992000      0.4501000      0.7048000      0.6062000
  1 1 1      11   17   19 o    1.825000      0.5376000       1.703000 0.7298000       1.948000      0.7896000     -0.2447000       1.075000
  1 1 1      11   17   20 o    2.825000      0.4965000       2.495000 0.7607000       3.154000      0.6383000     -0.6590000      0.9930000
  1 1 1      11   17   21 o    8.301000      0.2671000       8.178000 0.3883000       8.424000      0.3669000     -0.2462000      0.5342000
  1 1 1      11   17   22 o    7.802000      0.2637000       8.046000 0.3802000       7.559000      0.3656000      0.4876000      0.5274000
  1 1 1      11   17   23 o    2.901000      0.5080000       2.707000 0.7667000       3.095000      0.6666000     -0.3884000       1.016000
  1 1 1      11   17   24 o    5.748000      0.3189000       5.396000 0.4936000       6.100000      0.4038000     -0.7037000      0.6377000
  1 1 1      11   17   25 o    7.307000      0.2879000       7.098000 0.4348000       7.516000      0.3774000     -0.4177000      0.5758000
  1 1 1      11   17   26 o    4.777000      0.7356000       3.424000 1.217000       6.130000      0.8266000      -2.706000       1.471000
  1 1 1      11   17   27 o    6.642000      0.6427000       6.134000 1.096000       7.150000      0.6720000      -1.016000       1.285000
  1 1 1      11   17   28 o    3.096000      0.8284000       3.854000 1.321000       2.339000       1.000000       1.515000       1.657000
  1 1 1      11   17   29 o    1.624000      0.5197000       1.560000 0.7380000       1.687000      0.7319000     -0.1272000       1.039000
  1 1 1      11   17   30 o    3.157000      0.5787000       3.371000 0.8370000       2.944000      0.7993000      0.4267000       1.157000
  1 1 1      11   17   31 o    3.830000      0.5019000       3.781000 0.7601000       3.879000      0.6558000     -0.9798000E-01   1.004000
  1 1 1      11   17   32 o    2.450000      0.6822000       2.439000 0.9935000       2.461000      0.9353000     -0.2200000E-01   1.364000
  1 1 1      11   17   33 o    2.832000      0.7111000       2.534000 1.034000       3.131000      0.9765000     -0.5964000       1.422000
  1 1 1      11   18    0 o    10.21000      0.1863000       10.20000 0.2607000       10.22000      0.2663000     -0.2425000E-01  0.3727000
  1 1 1      11   18    1 o    3.979000      0.2164000       3.690000 0.3244000       4.269000      0.2864000     -0.5790000      0.4328000
  1 1 1      11   18    2 o    4.916000      0.1835000       4.998000 0.2541000       4.835000      0.2649000      0.1631000      0.3671000
  1 1 1      11   18    3 o    12.77000      0.1995000       12.77000 0.2791000       12.78000      0.2851000     -0.1119000E-01  0.3990000
  1 1 1      11   18    4 f    3.960000      0.1912000       3.799000 0.2723000       4.121000      0.2684000     -0.3218000      0.3823000
  1 1 1      11   18    5 o    7.619000      0.1587000       7.752000 0.2151000       7.486000      0.2334000      0.2658000      0.3174000
  1 1 1      11   18    6 o    4.165000      0.2068000       4.236000 0.2678000       4.093000      0.3152000      0.1434000      0.4136000
  1 1 1      11   18    7 o    6.097000      0.1731000       5.883000 0.2243000       6.311000      0.2638000     -0.4279000      0.3462000
  1 1 1      11   18    8 o    4.299000      0.2328000       4.252000 0.3001000       4.346000      0.3561000     -0.9430000E-01  0.4657000
  1 1 1      11   18    9 o    5.656000      0.2050000       5.789000 0.2722000       5.523000      0.3065000      0.2661000      0.4099000
  1 1 1      11   18   10 o    1.365000      0.3845000       1.024000 0.4799000       1.706000      0.6008000     -0.6827000      0.7689000
  1 1 1      11   18   11 o    4.268000      0.2483000       4.069000 0.3678000       4.466000      0.3336000     -0.3970000      0.4966000
  1 1 1      11   18   12 o    9.482000      0.2482000       9.287000 0.3552000       9.678000      0.3468000     -0.3909000      0.4964000
  1 1 1      11   18   13 o    2.609000      0.5161000       2.449000 0.7626000       2.769000      0.6957000     -0.3205000       1.032000
  1 1 1      11   18   14 o    8.870000      0.2671000       8.685000 0.3833000       9.055000      0.3721000     -0.3706000      0.5342000
  1 1 1      11   18   15 o    4.051000      0.5686000       3.515000 0.9484000       4.587000      0.6276000      -1.072000       1.137000
  1 1 1      11   18   16 o    5.846000      0.4383000       5.754000 0.6397000       5.938000      0.5993000     -0.1840000      0.8766000
  1 1 1      11   18   17 o    5.972000      0.4018000       5.689000 0.5980000       6.256000      0.5369000     -0.5675000      0.8037000
  1 1 1      11   18   18 o    8.583000      0.2791000       8.579000 0.3964000       8.586000      0.3931000     -0.7339000E-02  0.5583000
  1 1 1      11   18   19 o    4.023000      0.4969000       4.720000 0.5977000       3.325000      0.7939000       1.395000      0.9937000
  1 1 1      11   18   20 o    7.383000      0.2808000       7.291000 0.4006000       7.474000      0.3936000     -0.1827000      0.5616000
  1 1 1      11   18   21 o    2.079000      0.5490000       2.396000 0.8076000       1.762000      0.7439000      0.6339000       1.098000
  1 1 1      11   18   22 o    3.589000      0.9275000       2.376000 1.074000       4.802000       1.513000      -2.425000       1.855000
  1 1 1      11   18   23 o    3.375000      0.9467000       3.373000 1.251000       3.378000       1.421000     -0.5149000E-02   1.893000
  1 1 1      11   18   25 o    5.180000      0.3276000       4.817000 0.4904000       5.543000      0.4347000     -0.7259000      0.6553000
  1 1 1      11   18   26 o    1.846000      0.5487000       1.877000 0.8088000       1.815000      0.7418000      0.6205000E-01   1.097000
  1 1 1      11   18   27 o    7.901000      0.3363000       8.142000 0.5496000       7.659000      0.3877000      0.4833000      0.6726000
  1 1 1      11   18   28 o    4.197000      0.4763000       4.183000 0.7527000       4.211000      0.5838000     -0.2819000E-01  0.9526000
  1 1 1      11   18   29 o    5.327000      0.5118000       5.253000 0.8097000       5.402000      0.6262000     -0.1487000       1.024000
  1 1 1      11   18   30 o    3.525000      0.6629000       4.545000 0.9558000       2.506000      0.9189000       2.039000       1.326000
  1 1 1      11   18   31 o    2.941000      0.6267000       2.720000 0.9420000       3.163000      0.8267000     -0.4432000       1.253000
  1 1 1      11   18   32 o    2.788000      0.6149000       2.384000 0.9106000       3.192000      0.8267000     -0.8082000       1.230000
  1 1 1      11   18   33 o    4.751000      0.4606000       4.468000 0.6922000       5.034000      0.6080000     -0.5651000      0.9213000
  1 1 1      11   19    0 o    2.325000      0.5508000       2.147000 0.7164000       2.504000      0.8369000     -0.3570000       1.102000
  1 1 1      11   19    1 o    7.523000      0.2723000       7.163000 0.3565000       7.884000      0.4117000     -0.7210000      0.5446000
  1 1 1      11   19    2 o    2.696000      0.5056000       2.739000 0.6391000       2.653000      0.7838000      0.8580000E-01   1.011000
  1 1 1      11   19    3 o    13.97000      0.3059000       13.56000 0.4149000       14.37000      0.4496000     -0.8115000      0.6118000
  1 1 1      11   19    4 o    5.661000      0.1693000       6.106000 0.2284000       5.216000      0.2500000      0.8894000      0.3386000
  1 1 1      11   19    5 o    2.456000      0.3232000       2.563000 0.4079000       2.348000      0.5013000      0.2151000      0.6463000
  1 1 1      11   19    6 o    12.54000      0.2435000       12.23000 0.3906000       12.84000      0.2908000     -0.6042000      0.4870000
  1 1 1      11   19    7 o    5.918000      0.1879000       6.100000 0.2359000       5.736000      0.2925000      0.3640000      0.3757000
  1 1 1      11   19    8 o    1.595000      0.4077000       1.664000 0.5500000       1.526000      0.6020000      0.1386000      0.8154000
  1 1 1      11   19    9 o    2.226000      0.4174000       2.382000 0.5633000       2.070000      0.6161000      0.3127000      0.8349000
  1 1 1      11   19   10 o    6.718000      0.2167000       6.803000 0.3034000       6.633000      0.3094000      0.1705000      0.4333000
  1 1 1      11   19   11 o    2.648000      0.4414000       2.527000 0.6859000       2.770000      0.5556000     -0.2426000      0.8827000
  1 1 1      11   19   12 o    3.348000      0.4547000       3.548000 0.6488000       3.147000      0.6371000      0.4009000      0.9093000
  1 1 1      11   19   13 o    1.676000      0.5045000       1.518000 0.6914000       1.834000      0.7350000     -0.3162000       1.009000
  1 1 1      11   19   14 o    6.976000      0.3375000       6.815000 0.5357000       7.137000      0.4107000     -0.3225000      0.6750000
  1 1 1      11   19   15 o    2.954000      0.6922000       2.789000 1.003000       3.118000      0.9543000     -0.3290000       1.384000
  1 1 1      11   19   16 o    2.531000      0.8042000       3.369000 1.396000       1.694000      0.7992000       1.675000       1.608000
  1 1 1      11   19   17 o    2.292000      0.7304000       2.142000 1.061000       2.443000       1.004000     -0.3011000       1.461000
  1 1 1      11   19   18 f    3.934000       1.138000       4.791000 1.889000       3.076000       1.270000       1.715000       2.276000
  1 1 1      11   19   19 o    3.951000       1.006000       3.347000 1.406000       4.554000       1.440000      -1.207000       2.012000
  1 1 1      11   19   20 o    2.925000      0.9155000       2.614000 1.157000       3.236000       1.419000     -0.6220000       1.831000
  1 1 1      11   19   21 o    4.022000      0.4372000       4.166000 0.6275000       3.878000      0.6088000      0.2878000      0.8744000
  1 1 1      11   19   22 o    2.396000      0.5635000       2.395000 0.8180000       2.396000      0.7754000     -0.1423000E-03   1.127000
  1 1 1      11   19   23 o    3.526000      0.4739000       3.765000 0.6702000       3.286000      0.6701000      0.4785000      0.9478000
  1 1 1      11   19   24 o    4.568000      0.3919000       4.586000 0.5761000       4.549000      0.5315000      0.3693000E-01  0.7838000
  1 1 1      11   19   25 o    5.282000      0.4035000       5.380000 0.6124000       5.183000      0.5255000      0.1970000      0.8069000
  1 1 1      11   19   26 o    2.598000      0.6363000       2.938000 0.9461000       2.258000      0.8512000      0.6799000       1.273000
  1 1 1      11   19   27 o    5.600000      0.4560000       5.653000 0.6870000       5.546000      0.5998000      0.1070000      0.9119000
  1 1 1      11   19   28 o    2.738000      0.6387000       2.899000 0.9642000       2.577000      0.8379000      0.3212000       1.277000
  1 1 1      11   19   29 o    2.483000      0.6308000       2.630000 0.9397000       2.336000      0.8418000      0.2943000       1.262000
  1 1 1      11   19   30 o    3.051000      0.6265000       3.816000 0.9043000       2.287000      0.8672000       1.529000       1.253000
  1 1 1      11   19   31 o    2.447000      0.6420000       2.817000 0.9690000       2.077000      0.8423000      0.7405000       1.284000
  1 1 1      11   19   32 o    2.523000      0.6503000       2.303000 0.9134000       2.743000      0.9258000     -0.4397000       1.301000
  1 1 1      11   20    0 o    2.737000      0.3281000       3.177000 0.4128000       2.296000      0.5101000      0.8815000      0.6562000
  1 1 1      11   20    1 o    2.089000      0.3777000       2.159000 0.5493000       2.019000      0.5185000      0.1400000      0.7553000
  1 1 1      11   20    2 o    5.628000      0.1804000       5.250000 0.2529000       6.007000      0.2574000     -0.7571000      0.3609000
  1 1 1      11   20    3 o    9.155000      0.1720000       9.065000 0.2373000       9.245000      0.2491000     -0.1802000      0.3440000
  1 1 1      11   20    4 o    4.903000      0.1919000       4.516000 0.2695000       5.290000      0.2732000     -0.7732000      0.3838000
  1 1 1      11   20    5 o    4.381000      0.2427000       3.961000 0.3850000       4.800000      0.2956000     -0.8386000      0.4854000
  1 1 1      11   20    6 o    4.326000      0.2765000       4.696000 0.3209000       3.956000      0.4503000      0.7408000      0.5529000
  1 1 1      11   20    7 o    3.367000      0.3312000       2.669000 0.4890000       4.065000      0.4469000      -1.395000      0.6624000
  1 1 1      11   20    8 o    4.788000      0.2580000       4.902000 0.3509000       4.674000      0.3783000      0.2277000      0.5160000
  1 1 1      11   20    9 o    4.027000      0.4315000       4.027000 0.4315000                  ?              ?              ?              ?
  1 1 1      11   20   10 o    2.572000      0.4520000       2.089000 0.6825000       3.055000      0.5928000     -0.9655000      0.9040000
  1 1 1      11   20   11 o    3.505000      0.4277000       2.671000 0.6710000       4.340000      0.5307000      -1.670000      0.8555000
  1 1 1      11   20   12 o    2.469000      0.5845000       2.922000 0.8856000       2.017000      0.7632000      0.9054000       1.169000
  1 1 1      11   20   13 o    5.246000      0.3755000       5.561000 0.5712000       4.931000      0.4876000      0.6303000      0.7510000
  1 1 1      11   20   14 o    2.544000      0.6549000       2.805000 0.9861000       2.284000      0.8621000      0.5205000       1.310000
  1 1 1      11   20   15 o    2.240000      0.6672000       2.527000 1.019000       1.954000      0.8616000      0.5724000       1.334000
  1 1 1      11   20   16 o    7.404000      0.3966000       7.942000 0.5639000       6.866000      0.5579000       1.077000      0.7932000
  1 1 1      11   20   17 o    4.945000      0.5285000       5.006000 0.7729000       4.884000      0.7209000      0.1215000       1.057000
  1 1 1      11   20   18 o    11.10000      0.3069000       11.35000 0.4489000       10.84000      0.4185000      0.5067000      0.6138000
  1 1 1      11   20   19 o    6.192000      0.3978000       6.734000 0.5062000       5.651000      0.6138000       1.083000      0.7956000
  1 1 1      11   20   20 o    1.911000      0.5359000       1.538000 0.7018000       2.284000      0.8101000     -0.7465000       1.072000
  1 1 1      11   20   21 o    2.691000      0.5855000       2.853000 0.8318000       2.529000      0.8241000      0.3236000       1.171000
  1 1 1      11   20   23 o    4.136000      0.4628000       4.681000 0.6169000       3.592000      0.6902000       1.089000      0.9257000
  1 1 1      11   20   24 o    2.832000      0.5721000       2.600000 0.8761000       3.064000      0.7360000     -0.4642000       1.144000
  1 1 1      11   20   25 o    6.354000      0.3552000       6.495000 0.5064000       6.214000      0.4982000      0.2810000      0.7104000
  1 1 1      11   20   26 f    3.218000      0.5772000       2.751000 0.9094000       3.686000      0.7111000     -0.9358000       1.154000
  1 1 1      11   20   27 o    2.578000      0.6494000       2.612000 0.9538000       2.544000      0.8815000      0.6768000E-01   1.299000
  1 1 1      11   20   28 o    2.971000      0.6395000       3.293000 0.9483000       2.648000      0.8582000      0.6458000       1.279000
  1 1 1      11   20   29 o    1.870000      0.5823000       1.961000 0.8662000       1.780000      0.7785000      0.1806000       1.165000
  1 1 1      11   20   30 o    2.769000      0.6693000       3.046000 0.9875000       2.492000      0.9036000      0.5540000       1.339000
  1 1 1      11   20   31 o    2.562000      0.6622000       2.302000 0.9450000       2.821000      0.9279000     -0.5186000       1.324000
  1 1 1      11   20   32 o    2.848000      0.6449000       3.431000 0.9178000       2.264000      0.9061000       1.167000       1.290000
  1 1 1      11   21    0 o    9.978000      0.2461000       9.646000 0.3554000       10.31000      0.3404000     -0.6635000      0.4921000
  1 1 1      11   21    1 o    6.173000      0.2265000       6.000000 0.3366000       6.346000      0.3033000     -0.3460000      0.4531000
  1 1 1      11   21    2 o    1.407000      0.4059000       1.555000 0.5955000       1.258000      0.5516000      0.2965000      0.8117000
  1 1 1      11   21    3 o    2.558000      0.4070000       2.008000 0.6576000       3.108000      0.4798000      -1.101000      0.8140000
  1 1 1      11   21    4 o    4.074000      0.3365000       4.450000 0.3990000       3.698000      0.5420000      0.7513000      0.6730000
  1 1 1      11   21    5 o    1.926000      0.4966000       1.260000 0.5903000       2.593000      0.7988000      -1.333000      0.9932000
  1 1 1      11   21    6 o    3.059000      0.4064000       3.083000 0.6769000       3.035000      0.4500000      0.4749000E-01  0.8128000
  1 1 1      11   21    7 o    3.888000      0.2770000       3.814000 0.3396000       3.962000      0.4376000     -0.1476000      0.5539000
  1 1 1      11   21    8 o    4.681000      0.2526000       4.331000 0.3461000       5.031000      0.3680000     -0.7004000      0.5052000
  1 1 1      11   21    9 o    5.806000      0.3191000       5.806000 0.3191000                  ?              ?              ?              ?
  1 1 1      11   21   10 o    4.576000      0.2752000       4.386000 0.3849000       4.766000      0.3933000     -0.3798000      0.5503000
  1 1 1      11   21   11 o    6.726000      0.3416000                  ?       ?   6.726000      0.3416000                  ?              ?
  1 1 1      11   21   12 o    7.746000       2.253000                  ?       ?   7.746000       2.253000                  ?              ?
  1 1 1      11   21   13 o    3.438000       1.130000       2.251000 1.070000       4.625000       1.990000      -2.375000       2.259000
  1 1 1      11   21   14 o    5.530000       1.229000       5.264000 1.287000       5.795000       2.094000     -0.5311000       2.457000
  1 1 1      11   21   15 o    4.506000       1.023000       3.323000 1.228000       5.689000       1.636000      -2.366000       2.045000
  1 1 1      11   21   16 o    10.42000      0.5308000       11.26000 0.5685000       9.587000      0.8965000       1.673000       1.062000
  1 1 1      11   21   17 o    6.229000      0.6642000       6.144000 0.7731000       6.314000       1.080000     -0.1694000       1.328000
  1 1 1      11   21   18 o    10.64000      0.3498000       11.21000 0.4648000       10.07000      0.5228000       1.145000      0.6996000
  1 1 1      11   21   19 o    3.615000      0.5944000       3.701000 0.7620000       3.529000      0.9124000      0.1717000       1.189000
  1 1 1      11   21   20 o    2.515000      0.6296000       2.353000 0.8663000       2.677000      0.9139000     -0.3239000       1.259000
  1 1 1      11   21   21 o    3.664000      0.5111000       3.624000 0.7446000       3.705000      0.7003000     -0.8157000E-01   1.022000
  1 1 1      11   21   22 o    3.398000      0.5751000       3.193000 0.8533000       3.604000      0.7713000     -0.4105000       1.150000
  1 1 1      11   21   23 o    6.441000      0.3502000       6.339000 0.5412000       6.544000      0.4446000     -0.2058000      0.7004000
  1 1 1      11   21   24 o    3.136000      0.5706000       2.978000 0.8638000       3.294000      0.7457000     -0.3158000       1.141000
  1 1 1      11   21   25 o    3.534000      0.5720000       3.558000 0.8719000       3.511000      0.7405000      0.4677000E-01   1.144000
  1 1 1      11   21   26 o    3.487000      0.6138000       3.613000 0.8984000       3.361000      0.8367000      0.2522000       1.228000
  1 1 1      11   21   27 o    2.090000      0.6145000       2.458000 0.9529000       1.723000      0.7761000      0.7352000       1.229000
  1 1 1      11   21   28 o    2.130000      0.6255000       2.175000 0.9098000       2.086000      0.8585000      0.8933000E-01   1.251000
  1 1 1      11   21   29 o    3.113000      0.6166000       2.295000 0.9390000       3.930000      0.7995000      -1.636000       1.233000
  1 1 1      11   21   30 o    4.326000      0.6046000       4.066000 0.9509000       4.586000      0.7470000     -0.5196000       1.209000
  1 1 1      11   21   31 f    1.781000      0.5777000       1.858000 0.8479000       1.704000      0.7848000      0.1543000       1.155000
  1 1 1      11   22    0 o    13.48000      0.2171000       13.26000 0.2996000       13.69000      0.3142000     -0.4285000      0.4341000
  1 1 1      11   22    1 o    5.588000      0.2003000       5.804000 0.2701000       5.372000      0.2958000      0.4326000      0.4006000
  1 1 1      11   22    2 o    1.377000      0.3813000       1.069000 0.4871000       1.685000      0.5867000     -0.6155000      0.7625000
  1 1 1      11   22    3 o    3.979000      0.2510000       3.705000 0.3393000       4.254000      0.3700000     -0.5492000      0.5021000
  1 1 1      11   22    4 o    4.767000      0.2509000       5.068000 0.2926000       4.466000      0.4076000      0.6019000      0.5018000
  1 1 1      11   22    5 o    1.657000      0.4270000       1.804000 0.5863000       1.510000      0.6209000      0.2932000      0.8540000
  1 1 1      11   22    6 o    2.868000      0.4132000       2.970000 0.4817000       2.765000      0.6716000      0.2045000      0.8265000
  1 1 1      11   22    7 o    6.890000      0.2360000       7.302000 0.2995000       6.478000      0.3649000      0.8243000      0.4721000
  1 1 1      11   22    8 o    4.077000      0.3283000       4.097000 0.4295000       4.057000      0.4966000      0.4029000E-01  0.6566000
  1 1 1      11   22    9 o    5.511000      0.3746000       5.511000 0.3746000                  ?              ?              ?              ?
  1 1 1      11   22   10 o    4.889000      0.3336000       5.263000 0.4260000       4.515000      0.5134000      0.7474000      0.6672000
  1 1 1      11   22   11 o    7.422000      0.4099000                  ?       ?   7.422000      0.4099000                  ?              ?
  1 1 1      11   22   12 o    1.707000      0.5309000       2.111000 0.8610000       1.303000      0.6212000      0.8082000       1.062000
  1 1 1      11   22   13 o    3.463000      0.5439000       3.005000 0.8617000       3.920000      0.6638000     -0.9153000       1.088000
  1 1 1      11   22   14 o    8.377000      0.3543000       8.285000 0.5388000       8.469000      0.4601000     -0.1847000      0.7085000
  1 1 1      11   22   15 o    7.077000      0.4435000       6.740000 0.6777000       7.414000      0.5723000     -0.6741000      0.8870000
  1 1 1      11   22   16 f    4.900000      0.6497000       3.375000 1.115000       6.425000      0.6681000      -3.050000       1.299000
  1 1 1      11   22   17 f    5.720000      0.5414000       5.140000 0.8529000       6.300000      0.6671000      -1.160000       1.083000
  1 1 1      11   22   18 o    7.293000      0.3467000       7.210000 0.4924000       7.376000      0.4880000     -0.1660000      0.6933000
  1 1 1      11   22   19 o    2.293000      0.6220000       2.700000 0.9141000       1.885000      0.8437000      0.8147000       1.244000
  1 1 1      11   22   20 o    2.569000      0.6426000       2.797000 0.9207000       2.341000      0.8967000      0.4556000       1.285000
  1 1 1      11   22   21 f    2.608000      0.5695000       1.888000 0.8092000       3.327000      0.8016000      -1.438000       1.139000
  1 1 1      11   22   22 o    4.038000      0.5226000       4.239000 0.7084000       3.836000      0.7684000      0.4034000       1.045000
  1 1 1      11   22   23 o    4.184000      0.5143000       4.655000 0.6875000       3.713000      0.7650000      0.9414000       1.029000
  1 1 1      11   22   24 o    3.256000      0.5673000       2.895000 0.9097000       3.617000      0.6782000     -0.7213000       1.135000
  1 1 1      11   22   25 o    2.379000      0.6350000       2.443000 0.9265000       2.315000      0.8685000      0.1282000       1.270000
  1 1 1      11   22   26 o    3.838000      0.5817000       4.646000 0.7483000       3.030000      0.8909000       1.616000       1.163000
  1 1 1      11   22   27 o    5.516000      0.4972000       5.850000 0.7637000       5.183000      0.6368000      0.6662000      0.9944000
  1 1 1      11   22   28 o    3.640000      0.6580000       3.482000 0.9824000       3.798000      0.8757000     -0.3155000       1.316000
  1 1 1      11   22   29 o    2.767000      0.6823000       2.393000 0.9815000       3.142000      0.9480000     -0.7491000       1.365000
  1 1 1      11   22   30 o    3.425000      0.6588000       2.776000 1.013000       4.074000      0.8425000      -1.298000       1.318000
  1 1 1      11   22   31 o    2.109000      0.6467000       2.079000 0.9229000       2.138000      0.9063000     -0.5866000E-01   1.293000
  1 1 1      11   23    0 o    1.963000      0.4472000       1.871000 0.6178000       2.054000      0.6468000     -0.1823000      0.8944000
  1 1 1      11   23    1 o    8.547000      0.1854000       8.943000 0.2507000       8.151000      0.2731000      0.7922000      0.3707000
  1 1 1      11   23    2 o    6.635000      0.1984000       6.664000 0.2622000       6.606000      0.2979000      0.5824000E-01  0.3969000
  1 1 1      11   23    3 o    9.042000      0.1948000       8.941000 0.2601000       9.143000      0.2901000     -0.2016000      0.3896000
  1 1 1      11   23    4 o    3.327000      0.3281000       3.359000 0.3872000       3.294000      0.5298000      0.6533000E-01  0.6562000
  1 1 1      11   23    5 o    6.527000      0.2448000       6.662000 0.2725000       6.391000      0.4067000      0.2712000      0.4896000
  1 1 1      11   23    6 o    12.47000      0.2330000       12.83000 0.3137000       12.11000      0.3446000      0.7244000      0.4660000
  1 1 1      11   23    7 o    9.144000      0.2504000       9.449000 0.3563000       8.838000      0.3518000      0.6108000      0.5008000
  1 1 1      11   23    8 o    4.769000      0.3001000       4.342000 0.3962000       5.196000      0.4509000     -0.8537000      0.6003000
  1 1 1      11   23    9 o    4.748000      0.3398000       4.275000 0.5084000       5.221000      0.4511000     -0.9462000      0.6797000
  1 1 1      11   23   10 o    2.980000      0.5140000       3.656000 0.6582000       2.304000      0.7897000       1.352000       1.028000
  1 1 1      11   23   11 o    5.553000      0.3534000       5.534000 0.5052000       5.571000      0.4945000     -0.3716000E-01  0.7069000
  1 1 1      11   23   12 o    9.451000      0.3183000       9.879000 0.4875000       9.022000      0.4095000      0.8570000      0.6367000
  1 1 1      11   23   13 o    6.382000      0.3814000       5.497000 0.6102000       7.267000      0.4579000      -1.770000      0.7629000
  1 1 1      11   23   14 o    3.373000      0.7028000       3.720000 1.033000       3.026000      0.9537000      0.6941000       1.406000
  1 1 1      11   23   15 o    6.344000      0.4980000       6.162000 0.7459000       6.526000      0.6598000     -0.3644000      0.9959000
  1 1 1      11   23   16 o    9.987000      0.3659000       9.802000 0.5378000       10.17000      0.4962000     -0.3686000      0.7317000
  1 1 1      11   23   17 o    7.361000      0.4341000       7.153000 0.6539000       7.569000      0.5711000     -0.4160000      0.8682000
  1 1 1      11   23   18 o    6.286000      0.4033000       6.509000 0.5717000       6.062000      0.5689000      0.4466000      0.8066000
  1 1 1      11   23   19 o    2.596000      0.6575000       2.272000 0.8925000       2.921000      0.9657000     -0.6487000       1.315000
  1 1 1      11   23   20 o    1.969000      0.6071000       1.903000 0.8400000       2.036000      0.8767000     -0.1333000       1.214000
  1 1 1      11   23   21 o    2.648000      0.5896000       3.309000 0.8545000       1.987000      0.8125000       1.323000       1.179000
  1 1 1      11   23   22 f    2.167000      0.6135000       2.376000 0.8974000       1.957000      0.8369000      0.4188000       1.227000
  1 1 1      11   23   23 o    3.246000      0.6274000       3.212000 0.9158000       3.281000      0.8578000     -0.6955000E-01   1.255000
  1 1 1      11   23   24 o    2.183000      0.6023000       1.855000 0.8234000       2.511000      0.8792000     -0.6560000       1.205000
  1 1 1      11   23   25 o    3.353000      0.6323000       3.499000 0.9451000       3.207000      0.8401000      0.2916000       1.265000
  1 1 1      11   23   26 o    2.571000      0.6645000       2.342000 0.9502000       2.800000      0.9293000     -0.4584000       1.329000
  1 1 1      11   23   27 o    3.119000      0.7071000       3.250000 1.044000       2.987000      0.9536000      0.2627000       1.414000
  1 1 1      11   23   28 o    2.622000      0.6886000       2.904000 1.025000       2.341000      0.9199000      0.5639000       1.377000
  1 1 1      11   23   29 o    2.575000      0.7006000       2.932000 1.047000       2.218000      0.9314000      0.7145000       1.401000
  1 1 1      11   23   30 f    2.544000      0.6590000       3.265000 1.026000       1.823000      0.8275000       1.442000       1.318000
  1 1 1      11   24    0 o    2.101000      0.4479000       2.005000 0.6233000       2.196000      0.6434000     -0.1916000      0.8958000
  1 1 1      11   24    1 o    6.026000      0.2201000       6.091000 0.2963000       5.962000      0.3256000      0.1282000      0.4402000
  1 1 1      11   24    2 o    2.466000      0.4073000       3.411000 0.4765000       1.521000      0.6606000       1.890000      0.8146000
  1 1 1      11   24    3 o    1.787000      0.4693000       1.946000 0.6431000       1.628000      0.6836000      0.3183000      0.9386000
  1 1 1      11   24    4 o    6.381000      0.2243000       6.354000 0.2891000       6.408000      0.3431000     -0.5384000E-01  0.4487000
  1 1 1      11   24    5 o    5.237000      0.2900000       4.908000 0.3796000       5.566000      0.4386000     -0.6582000      0.5800000
  1 1 1      11   24    6 o    13.82000      0.2557000       13.53000 0.3333000       14.11000      0.3879000     -0.5710000      0.5114000
  1 1 1      11   24    7 o    1.920000      0.4961000       1.782000 0.6647000       2.059000      0.7367000     -0.2774000      0.9922000
  1 1 1      11   24    8 o    3.136000      0.4757000       2.961000 0.6364000       3.312000      0.7072000     -0.3502000      0.9514000
  1 1 1      11   24    9 o    2.137000      0.5397000       1.993000 0.7501000       2.281000      0.7761000     -0.2883000       1.079000
  1 1 1      11   24   10 o    1.482000      0.4835000       1.567000 0.7039000       1.398000      0.6631000      0.1681000      0.9671000
  1 1 1      11   24   11 o    7.273000      0.3376000       7.363000 0.5110000       7.182000      0.4413000      0.1816000      0.6751000
  1 1 1      11   24   12 o    2.948000      0.6222000       2.656000 0.9041000       3.239000      0.8549000     -0.5833000       1.244000
  1 1 1      11   24   13 o    5.721000      0.3935000       5.754000 0.5759000       5.687000      0.5363000      0.6731000E-01  0.7870000
  1 1 1      11   24   14 o    5.374000      0.5769000       4.234000 0.9881000       6.514000      0.5959000      -2.281000       1.154000
  1 1 1      11   24   15 o    2.054000      0.6509000       2.384000 1.013000       1.725000      0.8179000      0.6583000       1.302000
  1 1 1      11   24   16 o    2.111000      0.6486000       1.661000 0.8046000       2.561000       1.018000     -0.9001000       1.297000
  1 1 1      11   24   17 o    6.247000      0.5214000       6.917000 0.7081000       5.577000      0.7656000       1.340000       1.043000
  1 1 1      11   24   18 o    5.112000      0.5160000       4.989000 0.7584000       5.236000      0.6999000     -0.2469000       1.032000
  1 1 1      11   24   19 o    2.273000      0.6453000       1.834000 0.8297000       2.711000      0.9886000     -0.8767000       1.291000
  1 1 1      11   24   20 o    2.114000      0.6291000       2.173000 0.8975000       2.055000      0.8818000      0.1182000       1.258000
  1 1 1      11   24   21 o    2.402000      0.6165000       2.970000 0.9241000       1.833000      0.8162000       1.138000       1.233000
  1 1 1      11   24   22 o    2.576000      0.6505000       2.664000 0.9293000       2.487000      0.9104000      0.1769000       1.301000
  1 1 1      11   24   23 o    2.953000      0.6103000       2.134000 0.9028000       3.773000      0.8214000      -1.638000       1.221000
  1 1 1      11   24   24 o    2.575000      0.6615000       3.069000 0.9963000       2.081000      0.8705000      0.9876000       1.323000
  1 1 1      11   24   25 o    2.869000      0.6831000       2.971000 1.014000       2.766000      0.9156000      0.2044000       1.366000
  1 1 1      11   24   26 o    2.146000      0.6476000       2.519000 1.011000       1.773000      0.8099000      0.7458000       1.295000
  1 1 1      11   24   27 o    2.740000      0.6763000       2.273000 0.9743000       3.208000      0.9381000     -0.9351000       1.353000
  1 1 1      11   24   28 o    1.761000      0.5799000       1.812000 0.8484000       1.709000      0.7909000      0.1030000       1.160000
  1 1 1      11   24   29 o    3.394000      0.7102000       4.022000 1.028000       2.766000      0.9800000       1.256000       1.420000
  1 1 1      11   25    0 o    1.806000      0.4573000       1.989000 0.6461000       1.623000      0.6472000      0.3657000      0.9145000
  1 1 1      11   25    1 o    2.104000      0.4740000       1.675000 0.6427000       2.532000      0.6969000     -0.8579000      0.9480000
  1 1 1      11   25    2 o    2.668000      0.4712000       2.864000 0.5630000       2.473000      0.7557000      0.3914000      0.9424000
  1 1 1      11   25    3 o    6.260000      0.2398000       6.086000 0.3069000       6.434000      0.3686000     -0.3474000      0.4796000
  1 1 1      11   25    4 o    2.317000      0.4807000       2.546000 0.6016000       2.088000      0.7498000      0.4579000      0.9613000
  1 1 1      11   25    5 o    3.466000      0.4476000       3.153000 0.5712000       3.780000      0.6894000     -0.6273000      0.8952000
  1 1 1      11   25    6 o    5.589000      0.3041000       5.613000 0.3914000       5.565000      0.4656000      0.4858000E-01  0.6082000
  1 1 1      11   25    7 o    1.802000      0.5038000       1.972000 0.7184000       1.631000      0.7064000      0.3404000       1.008000
  1 1 1      11   25    8 f    6.378000      0.2910000       5.767000 0.4070000       6.990000      0.4159000      -1.223000      0.5820000
  1 1 1      11   25    9 o    5.338000      0.3387000       4.881000 0.4814000       5.796000      0.4766000     -0.9148000      0.6774000
  1 1 1      11   25   10 o    8.452000      0.2913000       8.774000 0.4189000       8.131000      0.4047000      0.6435000      0.5825000
  1 1 1      11   25   11 o    11.25000      0.3246000       10.78000 0.4706000       11.73000      0.4473000     -0.9474000      0.6492000
  1 1 1      11   25   12 o    6.159000      0.3885000       5.368000 0.6014000       6.951000      0.4920000      -1.582000      0.7770000
  1 1 1      11   25   13 o    6.912000      0.3574000       7.352000 0.5214000       6.472000      0.4888000      0.8795000      0.7147000
  1 1 1      11   25   14 o    2.734000      0.7179000       2.791000 1.070000       2.676000      0.9580000      0.1149000       1.436000
  1 1 1      11   25   15 o    3.638000      0.7371000       3.227000 1.104000       4.050000      0.9775000     -0.8231000       1.474000
  1 1 1      11   25   16 o    3.180000      0.7766000       3.594000 1.131000       2.766000       1.065000      0.8285000       1.553000
  1 1 1      11   25   17 o    3.054000      0.7769000       2.997000 1.115000       3.111000       1.082000     -0.1143000       1.554000
  1 1 1      11   25   18 o    2.729000      0.6529000       2.061000 0.8749000       3.397000      0.9694000      -1.336000       1.306000
  1 1 1      11   25   19 o    4.065000      0.6332000       3.044000 0.9806000       5.085000      0.8012000      -2.041000       1.266000
  1 1 1      11   25   20 o    2.553000      0.6982000       2.351000 0.9618000       2.755000       1.012000     -0.4046000       1.396000
  1 1 1      11   25   21 o    3.315000      0.6661000       2.855000 1.005000       3.775000      0.8747000     -0.9201000       1.332000
  1 1 1      11   25   22 o    1.940000      0.5951000       2.388000 0.9515000       1.492000      0.7150000      0.8958000       1.190000
  1 1 1      11   25   23 o    2.339000      0.6647000       2.547000 0.9876000       2.130000      0.8900000      0.4175000       1.329000
  1 1 1      11   25   24 o    2.910000      0.6903000       3.559000 1.033000       2.260000      0.9154000       1.300000       1.381000
  1 1 1      11   25   25 o    3.254000      0.7070000       2.942000 1.056000       3.565000      0.9404000     -0.6229000       1.414000
  1 1 1      11   25   26 o    2.450000      0.6890000       2.790000 1.039000       2.109000      0.9058000      0.6814000       1.378000
  1 1 1      11   25   27 o    2.909000      0.7284000       2.931000 1.057000       2.887000       1.002000      0.4401000E-01   1.457000
  1 1 1      11   25   28 o    2.914000      0.7369000       3.108000 1.076000       2.721000       1.007000      0.3864000       1.474000
  1 1 1      11   26    0 f    1.750000      0.4908000       1.714000 0.6572000       1.786000      0.7291000     -0.7198000E-01  0.9816000
  1 1 1      11   26    1 o    3.771000      0.3959000       3.447000 0.5497000       4.096000      0.5700000     -0.6494000      0.7919000
  1 1 1      11   26    2 o    1.353000      0.4335000       1.319000 0.5857000       1.386000      0.6394000     -0.6757000E-01  0.8671000
  1 1 1      11   26    3 o    4.675000      0.3459000       5.215000 0.3619000       4.135000      0.5895000       1.080000      0.6917000
  1 1 1      11   26    4 o    3.963000      0.4025000       3.639000 0.4769000       4.286000      0.6484000     -0.6463000      0.8049000
  1 1 1      11   26    5 o    2.659000      0.5142000       3.210000 0.6087000       2.107000      0.8290000       1.103000       1.028000
  1 1 1      11   26    6 o    5.068000      0.3369000       5.244000 0.4011000       4.893000      0.5414000      0.3512000      0.6738000
  1 1 1      11   26    7 o    10.08000      0.2692000       9.702000 0.3532000       10.47000      0.4063000     -0.7638000      0.5383000
  1 1 1      11   26    8 o    2.681000      0.4992000       3.428000 0.6442000       1.933000      0.7627000       1.495000      0.9984000
  1 1 1      11   26    9 o    5.758000      0.3081000       6.118000 0.4093000       5.399000      0.4605000      0.7184000      0.6161000
  1 1 1      11   26   10 o    3.486000      0.7950000       3.486000 0.7950000                  ?              ?              ?              ?
  1 1 1      11   26   11 o    2.167000      0.6264000       2.398000 0.9393000       1.935000      0.8291000      0.4627000       1.253000
  1 1 1      11   26   12 o    3.654000      0.8239000                  ?       ?   3.654000      0.8239000                  ?              ?
  1 1 1      11   26   13 o    2.948000      0.6681000       3.118000 0.9916000       2.778000      0.8956000      0.3405000       1.336000
  1 1 1      11   26   14 o    3.142000      0.7189000       2.646000 1.056000       3.639000      0.9754000     -0.9928000       1.438000
  1 1 1      11   26   15 o    8.519000      0.4154000       8.705000 0.6018000       8.333000      0.5729000      0.3729000      0.8309000
  1 1 1      11   26   16 o    5.226000      0.6374000       5.197000 0.9204000       5.255000      0.8819000     -0.5799000E-01   1.275000
  1 1 1      11   26   17 o    2.921000      0.6923000       1.990000 0.9119000       3.852000       1.042000      -1.862000       1.385000
  1 1 1      11   26   18 o    2.472000      0.6866000       2.533000 0.9687000       2.411000      0.9733000      0.1215000       1.373000
  1 1 1      11   26   19 o    2.520000      0.6946000       2.473000 0.9605000       2.567000       1.004000     -0.9396000E-01   1.389000
  1 1 1      11   26   20 o    4.637000      0.6072000       3.764000 0.9556000       5.510000      0.7496000      -1.746000       1.214000
  1 1 1      11   26   21 o    3.780000      0.6985000       4.045000 0.9657000       3.515000       1.009000      0.5304000       1.397000
  1 1 1      11   26   22 o    2.805000      0.6070000       1.782000 0.8380000       3.828000      0.8785000      -2.047000       1.214000
  1 1 1      11   26   23 o    2.991000      0.7202000       3.426000 1.080000       2.556000      0.9524000      0.8707000       1.440000
  1 1 1      11   26   24 o    2.200000      0.6759000       2.344000 1.012000       2.056000      0.8960000      0.2880000       1.352000
  1 1 1      11   26   25 o    1.816000      0.5971000       1.825000 0.8661000       1.808000      0.8221000      0.1633000E-01   1.194000
  1 1 1      11   26   26 o    3.398000      0.9789000       2.598000 1.212000       4.198000       1.538000      -1.599000       1.958000
  1 1 1      11   26   27 o    3.570000      0.9523000       4.625000 1.493000       2.514000       1.183000       2.112000       1.905000
  1 1 1      11   27    0 o    3.860000      0.4095000       3.949000 0.4859000       3.772000      0.6593000      0.1776000      0.8190000
  1 1 1      11   27    1 o    6.968000      0.2576000       6.540000 0.3440000       7.396000      0.3834000     -0.8567000      0.5151000
  1 1 1      11   27    2 o    1.942000      0.4727000       2.437000 0.6675000       1.447000      0.6696000      0.9905000      0.9454000
  1 1 1      11   27    3 o    8.336000      0.2504000       8.157000 0.3183000       8.515000      0.3865000     -0.3573000      0.5007000
  1 1 1      11   27    4 o    6.345000      0.3036000       6.114000 0.3726000       6.576000      0.4793000     -0.4619000      0.6071000
  1 1 1      11   27    5 o    1.857000      0.5144000       1.987000 0.7103000       1.727000      0.7442000      0.2596000       1.029000
  1 1 1      11   27    6 o    2.599000      0.5604000       2.450000 0.7605000       2.748000      0.8232000     -0.2980000       1.121000
  1 1 1      11   27    7 o    3.968000      0.4283000       4.273000 0.4955000       3.663000      0.6989000      0.6092000      0.8567000
  1 1 1      11   27    8 o    3.773000      0.4255000       4.023000 0.5430000       3.522000      0.6554000      0.5007000      0.8511000
  1 1 1      11   27    9 o    4.594000      0.4035000       4.370000 0.5854000       4.817000      0.5555000     -0.4476000      0.8070000
  1 1 1      11   27   10 o    7.687000      0.4514000       7.687000 0.4514000                  ?              ?              ?              ?
  1 1 1      11   27   11 o    5.296000      0.4434000       5.209000 0.6617000       5.382000      0.5905000     -0.1725000      0.8869000
  1 1 1      11   27   12 o    3.555000      0.8772000                  ?       ?   3.555000      0.8772000                  ?              ?
  1 1 1      11   27   13 o    2.523000      0.5779000       1.542000 0.7458000       3.503000      0.8830000      -1.962000       1.156000
  1 1 1      11   27   14 o    2.217000      0.6623000       2.144000 0.9560000       2.290000      0.9168000     -0.1464000       1.325000
  1 1 1      11   27   15 o    2.718000      0.7238000       2.938000 1.069000       2.498000      0.9762000      0.4401000       1.448000
  1 1 1      11   27   16 o    2.443000      0.7164000       2.409000 1.015000       2.478000       1.012000     -0.6918000E-01   1.433000
  1 1 1      11   27   17 o    3.936000      0.6785000       3.050000 1.038000       4.822000      0.8735000      -1.772000       1.357000
  1 1 1      11   27   18 o    2.796000      0.6792000       3.364000 0.9675000       2.227000      0.9536000       1.137000       1.358000
  1 1 1      11   27   19 f    2.226000      0.6727000       2.136000 0.9237000       2.315000      0.9783000     -0.1794000       1.345000
  1 1 1      11   27   20 o    3.017000      0.6713000       2.169000 0.9467000       3.865000      0.9522000      -1.696000       1.343000
  1 1 1      11   27   21 o    3.531000       1.013000       3.430000 1.414000       3.632000       1.451000     -0.2019000       2.026000
  1 1 1      11   27   22 o    3.461000       1.007000       2.922000 1.318000       4.001000       1.521000      -1.079000       2.013000
  1 1 1      11   27   23 o    3.144000      0.9697000       3.838000 1.555000       2.450000       1.160000       1.388000       1.939000
  1 1 1      11   27   24 o    2.925000      0.8868000       3.576000 1.508000       2.274000      0.9332000       1.302000       1.774000
  1 1 1      11   27   25 o    2.925000      0.7023000       2.287000 1.004000       3.562000      0.9829000      -1.275000       1.405000
  1 1 1      11   27   26 o    3.317000      0.6845000       2.109000 0.9504000       4.524000      0.9854000      -2.415000       1.369000
  1 1 1      11   28    0 o    2.317000      0.5317000       2.647000 0.6963000       1.987000      0.8038000      0.6601000       1.063000
  1 1 1      11   28    1 o    8.192000      0.2820000       8.054000 0.4185000       8.331000      0.3782000     -0.2771000      0.5641000
  1 1 1      11   28    2 o    6.055000      0.3045000       5.824000 0.3918000       6.286000      0.4661000     -0.4615000      0.6089000
  1 1 1      11   28    3 o    7.097000      0.2858000       6.942000 0.3709000       7.251000      0.4350000     -0.3090000      0.5717000
  1 1 1      11   28    4 o    3.663000      0.5051000       3.719000 0.5781000       3.608000      0.8283000      0.1115000       1.010000
  1 1 1      11   28    5 o    5.058000      0.9139000       4.715000 1.165000       5.401000       1.408000     -0.6858000       1.828000
  1 1 1      11   28    6 o    7.422000      0.2890000       7.437000 0.3808000       7.408000      0.4347000      0.2861000E-01  0.5779000
  1 1 1      11   28    7 o    5.515000      0.3602000       5.999000 0.4567000       5.032000      0.5571000      0.9675000      0.7204000
  1 1 1      11   28    8 o    7.033000      0.3208000       6.913000 0.4299000       7.152000      0.4761000     -0.2389000      0.6415000
  1 1 1      11   28    9 o    5.209000      0.4081000       5.497000 0.5417000       4.922000      0.6105000      0.5753000      0.8162000
  1 1 1      11   28   10 o    3.873000      0.5830000       4.291000 0.7373000       3.454000      0.9033000      0.8361000       1.166000
  1 1 1      11   28   11 o    1.841000      0.5766000       1.683000 0.7727000       1.999000      0.8559000     -0.3162000       1.153000
  1 1 1      11   28   12 o    2.554000      0.6539000       2.242000 0.9055000       2.866000      0.9436000     -0.6239000       1.308000
  1 1 1      11   28   13 o    2.093000      0.6313000       2.179000 0.9180000       2.007000      0.8670000      0.1718000       1.263000
  1 1 1      11   28   14 o    2.930000      0.7710000       2.866000 1.083000       2.993000       1.098000     -0.1274000       1.542000
  1 1 1      11   28   15 o    4.139000      0.7906000       4.569000 1.061000       3.709000       1.172000      0.8600000       1.581000
  1 1 1      11   28   16 o    3.506000      0.8704000       3.609000 1.225000       3.403000       1.237000      0.2061000       1.741000
  1 1 1      11   28   17 o    3.737000      0.9083000       3.273000 1.250000       4.202000       1.318000     -0.9296000       1.817000
  1 1 1      11   28   19 o    3.232000      0.7382000       3.603000 1.031000       2.861000       1.056000      0.7419000       1.476000
  1 1 1      11   28   20 o    4.403000      0.6847000       5.655000 0.8391000       3.151000       1.082000       2.503000       1.369000
  1 1 1      11   28   21 o    3.047000      0.7333000       3.795000 1.087000       2.298000      0.9844000       1.496000       1.467000
  1 1 1      11   28   22 o    3.455000      0.7392000       4.218000 1.054000       2.692000       1.037000       1.525000       1.478000
  1 1 1      11   28   23 o    1.982000      0.6451000       1.960000 0.9143000       2.005000      0.9103000     -0.4421000E-01   1.290000
  1 1 1      11   28   24 o    2.393000      0.7362000       2.534000 1.116000       2.253000      0.9600000      0.2813000       1.472000
  1 1 1      11   28   25 f    3.405000      0.8291000       3.121000 1.193000       3.688000       1.152000     -0.5674000       1.658000
  1 1 1      11   29    0 o    4.825000      0.3659000       5.067000 0.4095000       4.583000      0.6066000      0.4843000      0.7319000
  1 1 1      11   29    1 o    8.527000      0.2993000       8.361000 0.3418000       8.692000      0.4913000     -0.3312000      0.5985000
  1 1 1      11   29    2 o    4.799000      0.4018000       4.865000 0.4624000       4.732000      0.6572000      0.1322000      0.8035000
  1 1 1      11   29    3 o    4.056000      0.5220000       5.119000 0.5082000       2.993000      0.9119000       2.125000       1.044000
  1 1 1      11   29    4 o    3.310000      0.5297000       3.354000 0.6681000       3.265000      0.8222000      0.8880000E-01   1.059000
  1 1 1      11   29    5 o    2.569000      0.5269000       3.483000 0.7436000       1.654000      0.7466000       1.829000       1.054000
  1 1 1      11   29    6 o    2.333000      0.6131000       2.011000 0.8106000       2.654000      0.9201000     -0.6433000       1.226000
  1 1 1      11   29    7 o    2.305000      0.6163000       1.998000 0.8047000       2.611000      0.9337000     -0.6127000       1.233000
  1 1 1      11   29    8 o    3.617000      0.5691000       3.234000 0.8131000       3.999000      0.7966000     -0.7646000       1.138000
  1 1 1      11   29    9 o    3.547000      0.5571000       4.509000 0.5867000       2.584000      0.9471000       1.925000       1.114000
  1 1 1      11   29   10 o    4.006000      0.6014000       3.765000 0.8240000       4.247000      0.8763000     -0.4823000       1.203000
  1 1 1      11   29   11 o    1.896000      0.6657000       2.382000 1.138000       1.410000      0.6912000      0.9722000       1.331000
  1 1 1      11   29   12 o    2.135000      0.6291000       1.669000 0.7816000       2.600000      0.9860000     -0.9317000       1.258000
  1 1 1      11   29   13 o    2.219000      0.6542000       1.979000 0.8718000       2.460000      0.9755000     -0.4811000       1.308000
  1 1 1      11   29   14 o    2.200000      0.6416000       1.625000 0.7662000       2.774000       1.029000      -1.149000       1.283000
  1 1 1      11   29   15 f    2.250000      0.6794000       1.707000 0.8114000       2.794000       1.090000      -1.087000       1.359000
  1 1 1      11   29   16 o    2.541000      0.7446000       2.430000 1.016000       2.652000       1.089000     -0.2225000       1.489000
  1 1 1      11   29   17 o    2.823000      0.7669000       3.251000 1.103000       2.396000       1.066000      0.8549000       1.534000
  1 1 1      11   29   18 o    3.912000      0.6427000       3.179000 0.9837000       4.645000      0.8274000      -1.466000       1.285000
  1 1 1      11   29   19 o    2.917000      0.7803000       2.206000 1.025000       3.627000       1.177000      -1.421000       1.561000
  1 1 1      11   29   20 o    3.523000      0.8766000       3.559000 1.229000       3.488000       1.251000      0.7091000E-01   1.753000
  1 1 1      11   29   21 o    2.676000      0.7974000       2.751000 1.152000       2.602000       1.103000      0.1483000       1.595000
  1 1 1      11   29   22 o    2.229000      0.7084000       2.011000 0.9544000       2.448000       1.047000     -0.4372000       1.417000
  1 1 1      11   29   23 o    2.985000      0.7472000       3.687000 1.114000       2.282000      0.9964000       1.405000       1.494000
  1 1 1      11   29   24 o    2.959000      0.7641000       3.669000 1.178000       2.248000      0.9733000       1.422000       1.528000
  1 1 1      11   30    0 o    3.157000      0.7531000       3.171000 1.077000       3.142000       1.053000      0.2918000E-01   1.506000
  1 1 1      11   30    1 o    4.761000      0.7702000       4.985000 1.011000       4.538000       1.162000      0.4466000       1.540000
  1 1 1      11   30    2 f    2.849000      0.8537000       2.104000 0.9929000       3.594000       1.389000      -1.491000       1.707000
  1 1 1      11   30    3 o    3.538000      0.8870000       4.285000 1.269000       2.791000       1.240000       1.494000       1.774000
  1 1 1      11   30    4 o    3.247000      0.8855000       2.819000 1.136000       3.675000       1.359000     -0.8565000       1.771000
  1 1 1      11   30    5 o    3.767000      0.9457000       4.275000 1.340000       3.260000       1.334000       1.015000       1.891000
  1 1 1      11   30    6 o    3.376000      0.9764000       3.604000 1.419000       3.147000       1.342000      0.4563000       1.953000
  1 1 1      11   30    7 o    5.847000      0.9493000       6.613000 1.270000       5.080000       1.411000       1.534000       1.899000
  1 1 1      11   30    9 o    2.415000      0.8092000       2.472000 1.169000       2.357000       1.119000      0.1150000       1.618000
  1 1 1      11   30   10 o    3.168000      0.9001000       2.702000 1.198000       3.634000       1.344000     -0.9315000       1.800000
  1 1 1      11   30   11 o    4.352000      0.9018000       3.653000 1.341000       5.051000       1.207000      -1.398000       1.804000
  1 1 1      11   30   12 o    3.864000      0.9382000       4.416000 1.322000       3.312000       1.332000       1.104000       1.876000
  1 1 1      11   30   13 o    3.698000      0.9977000       3.671000 1.363000       3.724000       1.458000     -0.5321000E-01   1.995000
  1 1 1      11   30   14 o    2.716000      0.8622000       2.432000 1.116000       3.000000       1.315000     -0.5672000       1.724000
  1 1 1      11   30   15 o    3.398000      0.9429000       3.569000 1.301000       3.227000       1.365000      0.3421000       1.886000
  1 1 1      11   30   16 o    3.034000      0.7302000       3.735000 1.070000       2.334000      0.9943000       1.402000       1.460000
  1 1 1      11   30   17 o    3.225000      0.7891000       3.785000 1.121000       2.664000       1.111000       1.121000       1.578000
  1 1 1      11   30   18 o    1.917000      0.6327000       1.762000 0.8394000       2.071000      0.9470000     -0.3088000       1.265000
  1 1 1      11   30   19 o    3.656000      0.7606000       3.125000 1.104000       4.188000       1.047000      -1.064000       1.521000
  1 1 1      11   30   20 o    2.405000      0.7258000       2.641000 1.069000       2.169000      0.9821000      0.4715000       1.452000
  1 1 1      11   30   21 o    2.861000      0.7678000       2.496000 1.067000       3.225000       1.104000     -0.7292000       1.536000
  1 1 1      11   30   22 o    2.745000      0.7468000       2.240000 1.003000       3.250000       1.107000      -1.010000       1.494000
  1 1 1      11   31    0 o    3.719000      0.5821000       3.588000 0.7470000       3.850000      0.8929000     -0.2628000       1.164000
  1 1 1      11   31    1 o    1.814000      0.5575000       2.038000 0.8178000       1.591000      0.7579000      0.4475000       1.115000
  1 1 1      11   31    2 o    1.934000      0.5878000       1.630000 0.7316000       2.238000      0.9202000     -0.6074000       1.176000
  1 1 1      11   31    3 o    5.235000      0.4747000       4.726000 0.5407000       5.745000      0.7803000      -1.019000      0.9494000
  1 1 1      11   31    4 o    3.070000      0.6103000       2.941000 0.8195000       3.198000      0.9047000     -0.2577000       1.221000
  1 1 1      11   31    5 o    2.270000      0.6130000       2.413000 0.8594000       2.127000      0.8745000      0.2863000       1.226000
  1 1 1      11   31    6 o    1.837000      0.5532000       2.212000 0.8559000       1.461000      0.7012000      0.7505000       1.106000
  1 1 1      11   31    7 o    2.052000      0.5974000       1.948000 0.8126000       2.156000      0.8759000     -0.2078000       1.195000
  1 1 1      11   31    8 o    4.517000      0.4797000       4.615000 0.6167000       4.420000      0.7350000      0.1953000      0.9595000
  1 1 1      11   31    9 o    3.553000      0.6486000       3.156000 0.9380000       3.949000      0.8960000     -0.7926000       1.297000
  1 1 1      11   31   10 o    1.836000      0.5675000       2.348000 0.9232000       1.324000      0.6604000       1.023000       1.135000
  1 1 1      11   31   11 o    5.742000      0.6516000       5.742000 0.6516000                  ?              ?              ?              ?
  1 1 1      11   31   12 o    3.552000      0.7404000       3.390000 1.053000       3.714000       1.042000     -0.3232000       1.481000
  1 1 1      11   31   13 o    4.033000       1.095000                  ?       ?   4.033000       1.095000                  ?              ?
  1 1 1      11   31   14 o    2.422000      0.7167000       2.261000 0.9673000       2.583000       1.058000     -0.3221000       1.433000
  1 1 1      11   31   15 o    3.040000      0.7538000       2.795000 1.036000       3.286000       1.095000     -0.4904000       1.508000
  1 1 1      11   31   16 o    2.657000      0.7768000       2.688000 1.083000       2.625000       1.113000      0.6279000E-01   1.554000
  1 1 1      11   31   17 o    2.948000      0.7963000       2.950000 1.138000       2.946000       1.114000      0.4498000E-02   1.593000
  1 1 1      11   31   18 o    2.058000      0.6543000       2.331000 0.9971000       1.784000      0.8473000      0.5466000       1.309000
  1 1 1      11   31   19 o    2.475000      0.7384000       2.534000 1.059000       2.417000       1.029000      0.1165000       1.477000
  1 1 1      11   31   20 o    2.021000      0.6618000       2.046000 0.9394000       1.996000      0.9324000      0.4959000E-01   1.324000
  1 1 1      11   31   21 o    2.506000      0.7464000       2.864000 1.131000       2.148000      0.9746000      0.7155000       1.493000
  1 1 1      11   32    0 f    2.318000      0.6197000       1.815000 0.7779000       2.820000      0.9650000      -1.005000       1.239000
  1 1 1      11   32    1 o    2.713000      0.6308000       3.004000 0.8364000       2.422000      0.9444000      0.5820000       1.262000
  1 1 1      11   32    2 o    3.973000      0.5941000       3.767000 0.8005000       4.178000      0.8782000     -0.4102000       1.188000
  1 1 1      11   32    3 o    5.346000      0.4635000       5.208000 0.6150000       5.484000      0.6936000     -0.2769000      0.9270000
  1 1 1      11   32    4 o    2.361000      0.6469000       2.684000 0.9318000       2.038000      0.8976000      0.6458000       1.294000
  1 1 1      11   32    5 o    2.971000      0.6394000       3.715000 0.8696000       2.227000      0.9378000       1.488000       1.279000
  1 1 1      11   32    6 o    3.320000      0.6588000       3.850000 0.8483000       2.790000       1.008000       1.060000       1.318000
  1 1 1      11   32    7 o    2.186000      0.6408000       2.321000 0.9151000       2.051000      0.8972000      0.2702000       1.282000
  1 1 1      11   32    8 o    3.411000      0.6544000       3.333000 0.8915000       3.488000      0.9583000     -0.1558000       1.309000
  1 1 1      11   32    9 o    2.296000      0.6352000       2.754000 0.9528000       1.838000      0.8403000      0.9156000       1.270000
  1 1 1      11   32   10 o    2.652000      0.7143000       2.179000 0.9186000       3.125000       1.094000     -0.9456000       1.429000
  1 1 1      11   32   11 o    2.790000       1.067000       2.790000 1.067000                  ?              ?              ?              ?
  1 1 1      11   32   12 o    2.689000      0.7400000       3.011000 1.070000       2.366000       1.023000      0.6442000       1.480000
  1 1 1      11   32   13 o    4.370000       1.102000                  ?       ?   4.370000       1.102000                  ?              ?
  1 1 1      11   32   14 o    3.066000      0.6715000       3.954000 0.9431000       2.178000      0.9562000       1.776000       1.343000
  1 1 1      11   32   15 o    2.596000      0.7491000       2.750000 1.049000       2.443000       1.070000      0.3076000       1.498000
  1 1 1      11   32   16 o    2.913000      0.8030000       2.459000 1.055000       3.367000       1.211000     -0.9089000       1.606000
  1 1 1      11   32   17 o    2.895000      0.7652000       2.310000 1.020000       3.481000       1.141000      -1.171000       1.530000
  1 1 1      11   32   18 o    2.090000      0.6755000       2.378000 1.041000       1.801000      0.8615000      0.5770000       1.351000
  1 1 1      11   32   19 o    2.400000      0.7166000       2.627000 1.076000       2.173000      0.9463000      0.4539000       1.433000
  1 1 1      11   33    0 o    2.066000      0.6367000       1.965000 0.8564000       2.167000      0.9424000     -0.2016000       1.273000
  1 1 1      11   33    1 o    2.109000      0.6384000       2.087000 0.8802000       2.130000      0.9249000     -0.4325000E-01   1.277000
  1 1 1      11   33    2 o    3.586000      0.6775000       3.672000 0.9007000       3.500000       1.012000      0.1718000       1.355000
  1 1 1      11   33    3 o    3.592000      0.6303000       4.570000 0.7324000       2.615000       1.026000       1.955000       1.261000
  1 1 1      11   33    4 o    5.075000      0.5646000       5.246000 0.6937000       4.904000      0.8911000      0.3419000       1.129000
  1 1 1      11   33    5 o    4.484000      0.6455000       4.337000 0.8410000       4.631000      0.9794000     -0.2932000       1.291000
  1 1 1      11   33    6 o    2.574000      0.7279000       2.548000 0.9981000       2.600000       1.060000     -0.5201000E-01   1.456000
  1 1 1      11   33    7 o    3.842000      0.7099000       3.414000 1.005000       4.271000       1.003000     -0.8573000       1.420000
  1 1 1      11   33    8 o    3.553000      0.7103000       4.222000 0.9218000       2.883000       1.081000       1.339000       1.421000
  1 1 1      11   33    9 o    2.847000      0.7145000       2.552000 0.9710000       3.142000       1.049000     -0.5901000       1.429000
  1 1 1      11   33   10 o    1.965000      0.6388000       1.822000 0.8423000       2.109000      0.9607000     -0.2869000       1.278000
  1 1 1      11   33   11 f    1.793000      0.6035000       1.815000 0.8574000       1.771000      0.8495000      0.4401000E-01   1.207000
  1 1 1      11   33   12 o    3.854000      0.7685000       4.093000 1.018000       3.615000       1.152000      0.4783000       1.537000
  1 1 1      11   33   13 o    2.386000      0.6691000       1.622000 0.7564000       3.151000       1.104000      -1.529000       1.338000
  1 1 1      11   33   14 o    2.640000      0.7253000       1.951000 0.8845000       3.330000       1.150000      -1.379000       1.451000
  1 1 1      11   33   15 o    3.201000      0.7879000       2.377000 1.013000       4.025000       1.207000      -1.648000       1.576000
  1 1 1      11   33   16 o    2.438000      0.6972000       3.015000 1.075000       1.861000      0.8876000       1.154000       1.394000
  1 1 1      11   33   17 o    2.517000      0.7607000       2.790000 1.124000       2.244000       1.025000      0.5466000       1.521000
  1 1 1      11   34    0 o    3.132000      0.6996000       3.497000 0.9293000       2.766000       1.046000      0.7311000       1.399000
  1 1 1      11   34    1 o    2.312000      0.6689000       2.329000 0.9139000       2.295000      0.9770000      0.3369000E-01   1.338000
  1 1 1      11   34    2 o    2.106000      0.6461000       2.072000 0.8823000       2.141000      0.9441000     -0.6894000E-01   1.292000
  1 1 1      11   34    3 o    4.578000      0.7070000       5.409000 0.6961000       3.748000       1.231000       1.661000       1.414000
  1 1 1      11   34    4 o    6.508000      0.5280000       7.283000 0.5694000       5.733000      0.8894000       1.550000       1.056000
  1 1 1      11   34    5 o    3.028000      0.7646000       2.679000 1.038000       3.377000       1.123000     -0.6981000       1.529000
  1 1 1      11   34    6 o    4.231000      0.7048000       5.348000 0.8159000       3.113000       1.150000       2.235000       1.410000
  1 1 1      11   34    7 f    3.660000      0.7705000       3.282000 1.083000       4.038000       1.097000     -0.7556000       1.541000
  1 1 1      11   34    8 o    2.832000      0.7575000       2.169000 0.9809000       3.496000       1.155000      -1.327000       1.515000
  1 1 1      11   34    9 o    2.742000      0.7062000       3.264000 1.025000       2.220000      0.9719000       1.045000       1.412000
  1 1 1      11   34   10 o    2.732000      0.7507000       3.006000 1.064000       2.459000       1.059000      0.5470000       1.501000
  1 1 1      11   34   11 o    2.398000      0.7201000       2.691000 1.058000       2.106000      0.9765000      0.5848000       1.440000
  1 1 1      11   34   12 f    1.746000      0.5923000       1.799000 0.8469000       1.694000      0.8282000      0.1045000       1.185000
  1 1 1      11   34   13 o    2.553000      0.7312000       2.767000 1.039000       2.339000       1.029000      0.4275000       1.462000
  1 1 1      11   34   14 o    2.644000      0.7452000       2.750000 1.050000       2.538000       1.058000      0.2117000       1.490000
  1 1 1      11   34   15 o    2.597000      0.7353000       2.115000 0.9427000       3.078000       1.129000     -0.9628000       1.471000
  1 1 1      11   35    0 o    3.121000      0.7839000       2.915000 1.051000       3.327000       1.163000     -0.4118000       1.568000
  1 1 1      11   35    1 o    3.133000      0.7808000       3.065000 1.057000       3.202000       1.149000     -0.1368000       1.562000
  1 1 1      11   35    2 o    3.014000      0.7533000       3.499000 1.056000       2.529000       1.074000      0.9704000       1.507000
  1 1 1      11   35    3 o    3.833000      0.7105000       4.869000 0.8765000       2.797000       1.118000       2.071000       1.421000
  1 1 1      11   35    4 o    3.865000      0.7623000       3.918000 1.007000       3.811000       1.144000      0.1074000       1.525000
  1 1 1      11   35    5 o    3.893000      0.7681000       4.322000 0.9487000       3.463000       1.208000      0.8595000       1.536000
  1 1 1      11   35    6 o    4.026000      0.7801000       4.123000 1.036000       3.928000       1.166000      0.1955000       1.560000
  1 1 1      11   35    7 o    2.779000      0.7639000       2.193000 0.9745000       3.365000       1.177000      -1.172000       1.528000
  1 1 1      11   35    8 o    2.261000      0.7069000       2.200000 0.9696000       2.321000       1.029000     -0.1211000       1.414000
  1 1 1      11   35    9 o    3.398000      0.7295000       2.475000 1.005000       4.320000       1.058000      -1.845000       1.459000
  1 1 1      11   35   10 o    3.207000      0.7896000       2.619000 1.025000       3.794000       1.201000      -1.175000       1.579000
  1 1 1      11   35   11 o    3.435000      0.7143000       4.515000 0.9686000       2.356000       1.050000       2.159000       1.429000
  1 1 1      11   35   12 o    3.234000      0.7750000       3.736000 1.057000       2.732000       1.134000       1.004000       1.550000
  1 1 1      11   36    0 o    2.948000      0.7403000       3.534000 1.065000       2.361000       1.028000       1.173000       1.481000
  1 1 1      11   36    1 o    3.678000      0.7691000       3.791000 1.021000       3.565000       1.150000      0.2263000       1.538000
  1 1 1      11   36    2 o    3.461000      0.8775000       2.603000 1.063000       4.320000       1.396000      -1.717000       1.755000
  1 1 1      11   36    3 o    2.768000      0.7963000       2.311000 0.9973000       3.224000       1.242000     -0.9130000       1.593000
  1 1 1      11   36    4 o    3.528000      0.7940000       2.487000 1.056000       4.568000       1.186000      -2.081000       1.588000
  1 1 1      11   36    5 o    3.644000      0.7506000       4.332000 0.9568000       2.957000       1.157000       1.375000       1.501000
  1 1 1      11   36    6 o    3.099000      0.8127000       2.983000 1.082000       3.215000       1.213000     -0.2320000       1.625000
  1 1 1      11   36    7 o    4.399000      0.8477000       3.166000 1.158000       5.631000       1.239000      -2.465000       1.695000
  1 1 1      11   36    8 o    1.917000      0.6339000       2.155000 0.9627000       1.680000      0.8249000      0.4741000       1.268000
  1 1 1      12  -26    0 o    2.696000      0.7271000       3.097000 1.055000       2.294000       1.001000      0.8032000       1.454000
  1 1 1      12  -26    1 o    2.826000      0.7873000       3.051000 1.125000       2.601000       1.101000      0.4503000       1.575000
  1 1 1      12  -26    2 o    2.535000      0.7476000       2.757000 1.104000       2.313000       1.009000      0.4437000       1.495000
  1 1 1      12  -26    3 o    2.838000      0.7705000       2.438000 1.020000       3.237000       1.155000     -0.7989000       1.541000
  1 1 1      12  -26    4 o    2.549000      0.7369000       1.974000 0.9263000       3.124000       1.146000      -1.150000       1.474000
  1 1 1      12  -26    5 o    2.279000      0.6941000       2.489000 1.024000       2.068000      0.9373000      0.4201000       1.388000
  1 1 1      12  -26    6 f    2.722000       1.164000                  ?       ?   2.722000       1.164000                  ?              ?
  1 1 1      12  -25    0 o    3.361000      0.7567000       3.649000 1.034000       3.073000       1.105000      0.5754000       1.513000
  1 1 1      12  -25    1 o    2.229000      0.6675000       2.166000 0.9060000       2.292000      0.9805000     -0.1262000       1.335000
  1 1 1      12  -25    2 o    3.239000      0.7496000       2.829000 0.9828000       3.649000       1.132000     -0.8197000       1.499000
  1 1 1      12  -25    3 o    4.248000      0.7280000       3.552000 1.079000       4.944000      0.9780000      -1.392000       1.456000
  1 1 1      12  -25    4 o    3.683000      0.7147000       3.439000 1.007000       3.928000       1.014000     -0.4897000       1.429000
  1 1 1      12  -25    5 o    3.456000      0.7465000       4.042000 1.016000       2.871000       1.094000       1.172000       1.493000
  1 1 1      12  -25    6 o    2.801000      0.7628000       3.245000 1.114000       2.358000       1.042000      0.8870000       1.526000
  1 1 1      12  -25    7 o    2.191000      0.6697000       1.999000 0.9048000       2.383000      0.9876000     -0.3842000       1.339000
  1 1 1      12  -25    8 o    2.911000      0.7295000       3.566000 1.067000       2.255000      0.9952000       1.311000       1.459000
  1 1 1      12  -25    9 o    2.967000      0.7533000       3.600000 1.104000       2.335000       1.025000       1.265000       1.507000
  1 1 1      12  -25   10 o    4.081000      0.6896000       5.078000 0.8501000       3.083000       1.086000       1.995000       1.379000
  1 1 1      12  -24    0 o    2.481000      0.7047000       2.478000 0.9624000       2.484000       1.030000     -0.6744000E-02   1.409000
  1 1 1      12  -24    1 o    2.373000      0.6515000       3.069000 1.021000       1.676000      0.8100000       1.393000       1.303000
  1 1 1      12  -24    2 o    2.632000      0.7149000       2.427000 0.9748000       2.836000       1.046000     -0.4094000       1.430000
  1 1 1      12  -24    3 o    2.941000      0.7385000       3.053000 1.005000       2.828000       1.082000      0.2242000       1.477000
  1 1 1      12  -24    4 o    2.216000      0.6823000       2.029000 0.9038000       2.404000       1.022000     -0.3751000       1.365000
  1 1 1      12  -24    5 o    2.501000      0.7044000       3.040000 1.069000       1.962000      0.9177000       1.078000       1.409000
  1 1 1      12  -24    6 o    2.862000      0.7425000       2.729000 1.028000       2.994000       1.072000     -0.2651000       1.485000
  1 1 1      12  -24    7 o    3.159000      0.8102000       2.909000 1.086000       3.409000       1.203000     -0.4993000       1.620000
  1 1 1      12  -24    8 f    3.557000      0.7670000       3.508000 1.084000       3.606000       1.086000     -0.9740000E-01   1.534000
  1 1 1      12  -24    9 o    3.119000      0.7636000       3.559000 1.156000       2.679000      0.9979000      0.8805000       1.527000
  1 1 1      12  -24   10 o    3.805000      0.7542000       4.862000 0.9837000       2.748000       1.144000       2.114000       1.508000
  1 1 1      12  -24   11 o    3.122000      0.8203000       3.547000 1.189000       2.698000       1.130000      0.8492000       1.641000
  1 1 1      12  -24   12 o    3.429000      0.8450000       2.822000 1.156000       4.036000       1.233000      -1.214000       1.690000
  1 1 1      12  -24   13 o    2.688000      0.7782000       2.542000 1.071000       2.833000       1.129000     -0.2906000       1.556000
  1 1 1      12  -24   14 o    2.292000      0.7538000       2.580000 1.161000       2.004000      0.9611000      0.5758000       1.508000
  1 1 1      12  -23    0 o    2.909000       1.061000                  ?       ?   2.909000       1.061000                  ?              ?
  1 1 1      12  -23    1 o    4.595000      0.5984000       5.072000 0.6476000       4.118000       1.007000      0.9544000       1.197000
  1 1 1      12  -23    2 o    4.946000      0.5604000       4.705000 0.7447000       5.187000      0.8376000     -0.4816000       1.121000
  1 1 1      12  -23    3 o    2.724000      0.7126000       2.177000 0.9210000       3.271000       1.088000      -1.094000       1.425000
  1 1 1      12  -23    4 o    4.853000      0.5279000       4.900000 0.6937000       4.806000      0.7958000      0.9385000E-01   1.056000
  1 1 1      12  -23    5 o    2.645000      0.7285000       2.624000 0.9705000       2.666000       1.087000     -0.4179000E-01   1.457000
  1 1 1      12  -23    6 o    2.093000      0.6655000       1.819000 0.8411000       2.366000       1.032000     -0.5473000       1.331000
  1 1 1      12  -23    7 o    2.133000      0.6667000       1.747000 0.8128000       2.519000       1.057000     -0.7724000       1.333000
  1 1 1      12  -23    8 o    3.650000      0.6663000       4.319000 0.8850000       2.981000      0.9964000       1.338000       1.333000
  1 1 1      12  -23    9 o    3.731000      0.6783000       4.554000 0.8277000       2.909000       1.075000       1.645000       1.357000
  1 1 1      12  -23   10 o    3.365000      0.7093000       3.993000 0.9476000       2.737000       1.056000       1.255000       1.419000
  1 1 1      12  -23   11 o    3.313000      0.7625000       3.835000 1.074000       2.791000       1.083000       1.044000       1.525000
  1 1 1      12  -23   12 o    3.539000      0.7774000       2.458000 0.9746000       4.621000       1.211000      -2.163000       1.555000
  1 1 1      12  -23   13 o    3.204000      0.8802000       3.156000 1.270000       3.252000       1.219000     -0.9625000E-01   1.760000
  1 1 1      12  -23   14 o    2.267000      0.7339000       2.032000 0.9747000       2.502000       1.097000     -0.4701000       1.468000
  1 1 1      12  -23   15 o    2.195000      0.7044000       1.931000 0.9392000       2.458000       1.050000     -0.5273000       1.409000
  1 1 1      12  -23   16 o    3.213000      0.8020000       2.969000 1.186000       3.458000       1.080000     -0.4889000       1.604000
  1 1 1      12  -22    0 f    2.572000       1.062000                  ?       ?   2.572000       1.062000                  ?              ?
  1 1 1      12  -22    1 o    2.705000      0.6800000       2.005000 0.8445000       3.405000       1.066000      -1.400000       1.360000
  1 1 1      12  -22    2 o    2.298000      0.6795000       2.025000 0.8726000       2.571000       1.042000     -0.5462000       1.359000
  1 1 1      12  -22    3 o    2.606000      0.6763000       2.366000 0.8885000       2.846000       1.020000     -0.4794000       1.353000
  1 1 1      12  -22    4 o    2.362000      0.6588000       1.728000 0.7941000       2.995000       1.051000      -1.267000       1.318000
  1 1 1      12  -22    5 o    6.207000      0.4546000       6.885000 0.5528000       5.529000      0.7219000       1.356000      0.9093000
  1 1 1      12  -22    6 o    3.772000      0.8464000       3.860000 0.9010000       3.684000       1.433000      0.1760000       1.693000
  1 1 1      12  -22    7 f    4.564000       1.011000       3.514000 1.476000       5.614000       1.382000      -2.101000       2.022000
  1 1 1      12  -22    8 f    2.870000       1.336000                  ?       ?   2.870000       1.336000                  ?              ?
  1 1 1      12  -22    9 o    3.755000      0.9989000       4.684000 1.518000       2.825000       1.299000       1.858000       1.998000
  1 1 1      12  -22   10 f    4.776000      0.5076000       4.065000 0.7116000       5.487000      0.7241000      -1.422000       1.015000
  1 1 1      12  -22   11 o    6.138000      0.4866000       6.245000 0.6421000       6.031000      0.7312000      0.2137000      0.9731000
  1 1 1      12  -22   12 o    5.610000      0.5523000       6.168000 0.7110000       5.053000      0.8453000       1.116000       1.105000
  1 1 1      12  -22   13 o    4.206000      0.6380000       4.904000 0.8477000       3.508000      0.9537000       1.396000       1.276000
  1 1 1      12  -22   14 o    4.413000      0.6362000       4.578000 0.9085000       4.248000      0.8910000      0.3301000       1.272000
  1 1 1      12  -22   15 o    2.187000      0.6560000       2.017000 0.8997000       2.357000      0.9550000     -0.3403000       1.312000
  1 1 1      12  -22   16 o    2.225000      0.6364000       2.605000 0.9685000       1.845000      0.8258000      0.7601000       1.273000
  1 1 1      12  -22   17 o    2.605000      0.6514000       2.106000 0.9103000       3.103000      0.9321000     -0.9972000       1.303000
  1 1 1      12  -22   18 o    4.633000      0.5676000       4.330000 0.9162000       4.935000      0.6702000     -0.6058000       1.135000
  1 1 1      12  -21    0 o    2.536000      0.7720000       1.517000 0.7087000       3.556000       1.372000      -2.039000       1.544000
  1 1 1      12  -21    1 o    2.086000      0.6029000       1.568000 0.7301000       2.605000      0.9597000      -1.036000       1.206000
  1 1 1      12  -21    2 o    3.329000      0.6834000       3.916000 0.6179000       2.742000       1.219000       1.174000       1.367000
  1 1 1      12  -21    3 o    4.450000      0.9461000       3.831000 1.329000       5.070000       1.347000      -1.240000       1.892000
  1 1 1      12  -21    4 o    2.707000      0.8597000       2.505000 1.156000       2.909000       1.273000     -0.4044000       1.719000
  1 1 1      12  -21    5 o    3.895000      0.5372000       3.925000 0.5625000       3.864000      0.9154000      0.6087000E-01   1.074000
  1 1 1      12  -21    6 o    2.626000      0.6715000       2.381000 0.9113000       2.871000      0.9863000     -0.4906000       1.343000
  1 1 1      12  -21    7 o    2.333000      0.6421000       1.705000 0.7873000       2.961000       1.015000      -1.256000       1.284000
  1 1 1      12  -21    8 o    5.048000      0.5508000       5.063000 0.6934000       5.032000      0.8559000      0.3115000E-01   1.102000
  1 1 1      12  -21    9 o    5.432000      0.4726000       5.175000 0.6587000       5.689000      0.6778000     -0.5144000      0.9451000
  1 1 1      12  -21   10 o    3.661000      0.6485000       3.620000 0.8929000       3.701000      0.9406000     -0.8125000E-01   1.297000
  1 1 1      12  -21   11 o    2.743000      0.6789000       2.988000 0.9817000       2.498000      0.9380000      0.4902000       1.358000
  1 1 1      12  -21   12 o    3.937000      0.7083000       3.096000 1.106000       4.778000      0.8855000      -1.682000       1.417000
  1 1 1      12  -21   13 o    2.542000      0.6820000       2.441000 0.9600000       2.644000      0.9690000     -0.2031000       1.364000
  1 1 1      12  -21   14 o    2.866000      0.7092000       2.824000 1.018000       2.908000      0.9878000     -0.8356000E-01   1.418000
  1 1 1      12  -21   15 o    2.295000      0.6363000       1.731000 0.8117000       2.860000      0.9801000      -1.129000       1.273000
  1 1 1      12  -21   16 o    4.802000      0.5099000       4.736000 0.7661000       4.867000      0.6733000     -0.1319000       1.020000
  1 1 1      12  -21   17 o    5.327000      0.4913000       4.627000 0.8146000       6.026000      0.5496000      -1.399000      0.9826000
  1 1 1      12  -21   18 o    1.729000      0.5579000       1.645000 0.7813000       1.813000      0.7968000     -0.1676000       1.116000
  1 1 1      12  -21   19 o    2.989000      0.6533000       3.675000 0.9542000       2.304000      0.8925000       1.371000       1.307000
  1 1 1      12  -21   20 o    3.381000      0.6403000       4.264000 0.8772000       2.498000      0.9330000       1.766000       1.281000
  1 1 1      12  -20    0 o    2.539000      0.7487000       2.625000 1.048000       2.453000       1.069000      0.1720000       1.497000
  1 1 1      12  -20    1 o    2.292000      0.6013000       1.875000 0.7373000       2.708000      0.9501000     -0.8331000       1.203000
  1 1 1      12  -20    2 o    9.524000      0.3271000       9.518000 0.4047000       9.529000      0.5139000     -0.1124000E-01  0.6541000
  1 1 1      12  -20    3 o    2.881000      0.6069000       2.270000 0.8478000       3.492000      0.8688000      -1.222000       1.214000
  1 1 1      12  -20    4 o    2.766000      0.5931000       2.246000 0.8153000       3.285000      0.8616000      -1.039000       1.186000
  1 1 1      12  -20    5 o    4.094000      0.5540000       4.761000 0.5786000       3.428000      0.9449000       1.333000       1.108000
  1 1 1      12  -20    6 o    5.499000      0.4300000       5.994000 0.5014000       5.005000      0.6988000      0.9888000      0.8601000
  1 1 1      12  -20    7 o    2.160000      0.6000000       2.533000 0.8841000       1.788000      0.8115000      0.7456000       1.200000
  1 1 1      12  -20    8 o    4.214000      0.5321000       4.177000 0.7016000       4.251000      0.8003000     -0.7405000E-01   1.064000
  1 1 1      12  -20    9 o    2.090000      0.6027000       2.216000 0.8469000       1.964000      0.8578000      0.2512000       1.205000
  1 1 1      12  -20   10 o    1.818000      0.5683000       1.789000 0.7826000       1.847000      0.8243000     -0.5821000E-01   1.137000
  1 1 1      12  -20   11 o    1.662000      0.5447000       1.524000 0.7209000       1.800000      0.8168000     -0.2757000       1.089000
  1 1 1      12  -20   12 o    4.434000      0.6001000       4.144000 0.8827000       4.723000      0.8133000     -0.5793000       1.200000
  1 1 1      12  -20   13 o    4.283000      0.5827000       4.323000 0.8405000       4.242000      0.8074000      0.8104000E-01   1.165000
  1 1 1      12  -20   14 o    2.562000      0.6497000       3.186000 0.9777000       1.938000      0.8558000       1.247000       1.299000
  1 1 1      12  -20   15 o    2.432000      0.6250000       1.771000 0.8110000       3.093000      0.9513000      -1.322000       1.250000
  1 1 1      12  -20   16 o    2.620000      0.6565000       2.468000 0.9264000       2.771000      0.9304000     -0.3038000       1.313000
  1 1 1      12  -20   17 o    2.324000      0.6512000       2.666000 0.9887000       1.982000      0.8476000      0.6838000       1.302000
  1 1 1      12  -20   18 o    4.330000      0.5728000       3.683000 0.9505000       4.977000      0.6395000      -1.294000       1.146000
  1 1 1      12  -20   19 o    4.256000      0.5473000       4.873000 0.7224000       3.640000      0.8223000       1.234000       1.095000
  1 1 1      12  -20   20 f    3.565000      0.6183000       3.382000 0.9588000       3.748000      0.7810000     -0.3666000       1.237000
  1 1 1      12  -20   21 o    1.904000      0.6024000       2.043000 0.9055000       1.766000      0.7949000      0.2768000       1.205000
  1 1 1      12  -19    0 o    4.017000      0.4726000       3.520000 0.6863000       4.513000      0.6498000     -0.9931000      0.9452000
  1 1 1      12  -19    1 o    10.15000      0.4011000                  ?       ?   10.15000      0.4011000                  ?              ?
  1 1 1      12  -19    2 o    3.991000      0.5241000       4.489000 0.6205000       3.493000      0.8449000      0.9959000       1.048000
  1 1 1      12  -19    3 o    5.583000      0.3926000       5.381000 0.5398000       5.785000      0.5702000     -0.4044000      0.7852000
  1 1 1      12  -19    4 o    6.788000      0.3314000       7.008000 0.4390000       6.569000      0.4965000      0.4385000      0.6628000
  1 1 1      12  -19    5 o    5.607000      0.3743000       5.473000 0.5234000       5.742000      0.5352000     -0.2684000      0.7486000
  1 1 1      12  -19    6 o    4.517000      0.4570000       4.720000 0.6074000       4.314000      0.6831000      0.4058000      0.9141000
  1 1 1      12  -19    7 o    7.432000      0.3601000       7.008000 0.4795000       7.855000      0.5373000     -0.8467000      0.7201000
  1 1 1      12  -19    8 o    4.379000      0.5288000       5.434000 0.5761000       3.325000      0.8869000       2.108000       1.058000
  1 1 1      12  -19    9 o    5.218000      0.4721000       5.466000 0.6032000       4.970000      0.7265000      0.4963000      0.9443000
  1 1 1      12  -19   10 o    1.900000      0.8211000                  ?       ?   1.900000      0.8211000                  ?              ?
  1 1 1      12  -19   11 o    10.09000      0.3370000       10.06000 0.4651000       10.12000      0.4877000     -0.5838000E-01  0.6739000
  1 1 1      12  -19   12 o    7.582000      0.3892000       7.593000 0.5122000       7.571000      0.5860000      0.2178000E-01  0.7783000
  1 1 1      12  -19   13 o    2.384000      0.6428000       2.888000 0.9783000       1.881000      0.8340000       1.006000       1.286000
  1 1 1      12  -19   14 o    3.094000      0.6681000       3.217000 0.9458000       2.971000      0.9438000      0.2460000       1.336000
  1 1 1      12  -19   15 o    1.876000      0.5863000       2.002000 0.8636000       1.749000      0.7933000      0.2533000       1.173000
  1 1 1      12  -19   16 o    3.991000      0.5313000       4.107000 0.7423000       3.875000      0.7604000      0.2319000       1.063000
  1 1 1      12  -19   17 o    6.228000      0.3835000       6.125000 0.5518000       6.331000      0.5326000     -0.2061000      0.7669000
  1 1 1      12  -19   18 o    5.995000      0.3865000       5.608000 0.5872000       6.381000      0.5027000     -0.7727000      0.7730000
  1 1 1      12  -19   19 o    2.434000      0.6222000       2.888000 0.9214000       1.980000      0.8363000      0.9086000       1.244000
  1 1 1      12  -19   20 o    6.270000      0.3649000       6.037000 0.5481000       6.504000      0.4817000     -0.4673000      0.7297000
  1 1 1      12  -19   21 o    2.954000      0.6191000       3.810000 0.8979000       2.099000      0.8525000       1.711000       1.238000
  1 1 1      12  -19   22 o    2.572000      0.6529000       2.064000 0.9107000       3.079000      0.9357000      -1.015000       1.306000
  1 1 1      12  -19   23 o    2.631000      0.6705000       2.253000 0.9662000       3.010000      0.9299000     -0.7565000       1.341000
  1 1 1      12  -18    0 o    3.206000      0.5400000       2.785000 0.7290000       3.628000      0.7968000     -0.8429000       1.080000
  1 1 1      12  -18    1 o    2.771000      0.5327000       2.287000 0.6707000       3.254000      0.8278000     -0.9670000       1.065000
  1 1 1      12  -18    2 o    4.207000      0.4580000       4.724000 0.4816000       3.690000      0.7792000       1.034000      0.9161000
  1 1 1      12  -18    3 o    5.687000      0.3685000       5.706000 0.4680000       5.667000      0.5693000      0.3879000E-01  0.7369000
  1 1 1      12  -18    4 o    8.629000      0.2884000       8.642000 0.3820000       8.617000      0.4322000      0.2406000E-01  0.5768000
  1 1 1      12  -18    5 o    5.987000      0.3470000       5.537000 0.4860000       6.437000      0.4954000     -0.9002000      0.6940000
  1 1 1      12  -18    6 o    2.080000      0.5740000       1.699000 0.7421000       2.462000      0.8760000     -0.7623000       1.148000
  1 1 1      12  -18    7 o    5.527000      0.3869000       5.881000 0.4958000       5.174000      0.5942000      0.7071000      0.7739000
  1 1 1      12  -18    8 o    2.864000      0.5776000       3.534000 0.7710000       2.193000      0.8602000       1.340000       1.155000
  1 1 1      12  -18    9 o    1.826000      0.5463000       2.024000 0.7997000       1.627000      0.7444000      0.3969000       1.093000
  1 1 1      12  -18   10 o    5.410000      0.4134000       5.748000 0.4867000       5.071000      0.6683000      0.6772000      0.8268000
  1 1 1      12  -18   11 o    12.64000      0.3303000       12.74000 0.4654000       12.53000      0.4689000      0.2138000      0.6606000
  1 1 1      12  -18   12 o    5.302000      0.4623000       5.639000 0.6499000       4.965000      0.6576000      0.6743000      0.9246000
  1 1 1      12  -18   13 o    2.027000      0.6035000       1.649000 0.7697000       2.404000      0.9296000     -0.7549000       1.207000
  1 1 1      12  -18   14 o    3.887000      0.5603000       4.240000 0.7469000       3.535000      0.8355000      0.7048000       1.121000
  1 1 1      12  -18   15 o    5.634000      0.3984000       5.942000 0.5503000       5.326000      0.5763000      0.6165000      0.7968000
  1 1 1      12  -18   16 o    3.924000      0.5178000       4.806000 0.6035000       3.041000      0.8415000       1.765000       1.036000
  1 1 1      12  -18   17 o    3.297000      0.5599000       4.193000 0.6913000       2.401000      0.8809000       1.792000       1.120000
  1 1 1      12  -18   18 o    2.964000      0.6196000       2.825000 0.8897000       3.104000      0.8627000     -0.2796000       1.239000
  1 1 1      12  -18   19 o    3.783000      0.5338000       4.151000 0.7172000       3.415000      0.7909000      0.7354000       1.068000
  1 1 1      12  -18   20 o    2.862000      0.6229000       2.856000 0.8983000       2.869000      0.8632000     -0.1289000E-01   1.246000
  1 1 1      12  -18   21 o    3.117000      0.6279000       2.870000 0.9705000       3.363000      0.7969000     -0.4934000       1.256000
  1 1 1      12  -18   22 o    4.443000      0.5443000       4.348000 0.8676000       4.539000      0.6576000     -0.1903000       1.089000
  1 1 1      12  -18   23 o    4.902000      0.5413000       4.441000 0.8832000       5.363000      0.6261000     -0.9223000       1.083000
  1 1 1      12  -18   24 o    5.768000      0.4643000       5.607000 0.7132000       5.930000      0.5949000     -0.3230000      0.9287000
  1 1 1      12  -17    0 o    7.654000      0.2680000       7.925000 0.3383000       7.382000      0.4157000      0.5431000      0.5360000
  1 1 1      12  -17    1 o    3.651000      0.4800000       3.932000 0.5292000       3.370000      0.8011000      0.5620000      0.9601000
  1 1 1      12  -17    2 o    1.659000      0.4935000       1.861000 0.7135000       1.457000      0.6821000      0.4048000      0.9871000
  1 1 1      12  -17    3 o    5.002000      0.3705000       5.116000 0.4283000       4.888000      0.6047000      0.2277000      0.7410000
  1 1 1      12  -17    4 o    11.01000      0.2635000       10.99000 0.3431000       11.02000      0.4001000     -0.3568000E-01  0.5271000
  1 1 1      12  -17    5 o    7.411000      0.2900000       7.428000 0.3872000       7.394000      0.4319000      0.3342000E-01  0.5800000
  1 1 1      12  -17    6 o    2.259000      0.5513000       2.696000 0.7826000       1.821000      0.7767000      0.8755000       1.103000
  1 1 1      12  -17    7 o    9.956000      0.2980000       9.887000 0.3887000       10.02000      0.4517000     -0.1381000      0.5960000
  1 1 1      12  -17    8 o    12.01000      0.3039000       12.28000 0.4062000       11.74000      0.4522000      0.5348000      0.6079000
  1 1 1      12  -17    9 o    4.009000      0.5013000       4.958000 0.5623000       3.060000      0.8300000       1.898000       1.003000
  1 1 1      12  -17   10 o    7.113000      0.3343000       6.921000 0.4600000       7.306000      0.4851000     -0.3849000      0.6685000
  1 1 1      12  -17   11 o    11.06000      0.3167000       10.89000 0.4436000       11.22000      0.4522000     -0.3389000      0.6334000
  1 1 1      12  -17   12 o    1.952000      0.5801000       1.940000 0.8165000       1.964000      0.8244000     -0.2409000E-01   1.160000
  1 1 1      12  -17   13 o    4.503000      0.5648000       3.429000 0.9897000       5.577000      0.5445000      -2.148000       1.130000
  1 1 1      12  -17   14 o    2.027000      0.5835000       2.407000 0.8901000       1.647000      0.7547000      0.7603000       1.167000
  1 1 1      12  -17   15 o    5.329000      0.4088000       5.259000 0.5935000       5.400000      0.5623000     -0.1409000      0.8176000
  1 1 1      12  -17   16 o    1.748000      0.5359000       1.722000 0.7566000       1.774000      0.7591000     -0.5159000E-01   1.072000
  1 1 1      12  -17   17 o    2.828000      0.5738000       2.424000 0.8277000       3.231000      0.7950000     -0.8075000       1.148000
  1 1 1      12  -17   18 o    4.759000      0.4106000       4.189000 0.6417000       5.330000      0.5125000      -1.141000      0.8212000
  1 1 1      12  -17   19 o    5.218000      0.3626000       4.716000 0.5782000       5.720000      0.4377000      -1.005000      0.7252000
  1 1 1      12  -17   20 o    4.595000      0.4516000       4.482000 0.7043000       4.707000      0.5656000     -0.2252000      0.9033000
  1 1 1      12  -17   21 o    5.244000      0.4262000       5.201000 0.6782000       5.286000      0.5163000     -0.8494000E-01  0.8524000
  1 1 1      12  -17   22 o    2.560000      0.7692000       2.838000 1.284000       2.282000      0.8480000      0.5555000       1.538000
  1 1 1      12  -17   23 o    4.132000      0.9931000       3.239000 1.376000       5.025000       1.433000      -1.786000       1.986000
  1 1 1      12  -17   24 o    2.574000      0.8485000       2.491000 1.178000       2.658000       1.221000     -0.1673000       1.697000
  1 1 1      12  -17   25 o    3.520000       1.017000       3.204000 1.412000       3.835000       1.463000     -0.6304000       2.033000
  1 1 1      12  -16    0 o    1.528000      0.4540000       1.418000 0.6164000       1.638000      0.6666000     -0.2199000      0.9079000
  1 1 1      12  -16    1 o    8.441000      0.2335000       8.910000 0.3151000       7.972000      0.3445000      0.9377000      0.4669000
  1 1 1      12  -16    2 o    3.062000      0.4734000       2.521000 0.6720000       3.602000      0.6669000      -1.082000      0.9467000
  1 1 1      12  -16    3 o    4.240000      0.3803000       3.898000 0.5273000       4.581000      0.5481000     -0.6823000      0.7606000
  1 1 1      12  -16    4 o    6.453000      0.3033000       6.967000 0.3495000       5.940000      0.4959000       1.027000      0.6067000
  1 1 1      12  -16    5 o    13.42000      0.2931000       13.23000 0.3515000       13.62000      0.4692000     -0.3909000      0.5862000
  1 1 1      12  -16    6 o    2.090000      0.5140000       2.656000 0.7545000       1.523000      0.6983000       1.133000       1.028000
  1 1 1      12  -16    7 o    5.068000      0.3710000       4.866000 0.4903000       5.270000      0.5569000     -0.4034000      0.7420000
  1 1 1      12  -16    8 o    2.550000      0.5638000       2.481000 0.7493000       2.620000      0.8427000     -0.1386000       1.128000
  1 1 1      12  -16    9 o    2.154000      0.5705000       1.944000 0.7779000       2.364000      0.8347000     -0.4202000       1.141000
  1 1 1      12  -16   10 o    3.074000      0.5568000       3.345000 0.7473000       2.803000      0.8255000      0.5422000       1.114000
  1 1 1      12  -16   11 o    12.52000      0.3114000       12.68000 0.4382000       12.35000      0.4424000      0.3357000      0.6227000
  1 1 1      12  -16   12 o    6.170000      0.3696000       6.524000 0.5020000       5.815000      0.5426000      0.7093000      0.7392000
  1 1 1      12  -16   13 o    5.366000      0.4799000       5.066000 0.7166000       5.666000      0.6385000     -0.6004000      0.9598000
  1 1 1      12  -16   14 o    2.058000      0.6184000       2.040000 0.8832000       2.075000      0.8657000     -0.3512000E-01   1.237000
  1 1 1      12  -16   15 o    3.181000      0.6273000       2.163000 0.9298000       4.200000      0.8424000      -2.036000       1.255000
  1 1 1      12  -16   16 o    5.060000      0.5822000       4.976000 0.8971000       5.145000      0.7422000     -0.1695000       1.164000
  1 1 1      12  -16   17 o    4.121000      0.8078000       4.172000 1.229000       4.070000       1.049000      0.1019000       1.616000
  1 1 1      12  -16   18 o    2.201000      0.6217000       2.046000 0.7120000       2.357000       1.019000     -0.3115000       1.243000
  1 1 1      12  -16   19 o    3.854000      0.4081000       3.454000 0.6636000       4.254000      0.4753000     -0.7997000      0.8162000
  1 1 1      12  -16   20 o    2.564000      0.5725000       2.736000 0.8296000       2.392000      0.7893000      0.3443000       1.145000
  1 1 1      12  -16   21 f    8.266000      0.3075000       8.406000 0.4905000       8.126000      0.3711000      0.2800000      0.6151000
  1 1 1      12  -16   22 f    4.215000      0.5189000       3.777000 0.8847000       4.654000      0.5425000     -0.8771000       1.038000
  1 1 1      12  -16   23 o    6.292000      0.4132000       6.175000 0.6807000       6.410000      0.4686000     -0.2350000      0.8264000
  1 1 1      12  -16   24 o    2.755000      0.6493000       2.583000 0.9621000       2.927000      0.8723000     -0.3436000       1.299000
  1 1 1      12  -16   25 o    3.583000      0.6536000       4.384000 0.8814000       2.782000      0.9653000       1.602000       1.307000
  1 1 1      12  -16   26 o    3.405000      0.6832000       3.771000 1.033000       3.039000      0.8947000      0.7326000       1.366000
  1 1 1      12  -15    0 o    6.626000      0.3283000       6.626000 0.3283000                  ?              ?              ?              ?
  1 1 1      12  -15    1 o    8.416000      0.2201000       8.179000 0.3013000       8.652000      0.3210000     -0.4726000      0.4403000
  1 1 1      12  -15    2 o    2.627000      0.7587000                  ?       ?   2.627000      0.7587000                  ?              ?
  1 1 1      12  -15    3 o    2.348000      0.4807000       2.807000 0.6129000       1.888000      0.7406000      0.9182000      0.9613000
  1 1 1      12  -15    4 f    8.342000      0.2346000       8.594000 0.3135000       8.091000      0.3492000      0.5028000      0.4693000
  1 1 1      12  -15    5 o    3.602000      0.4709000       4.614000 0.4371000       2.590000      0.8343000       2.024000      0.9419000
  1 1 1      12  -15    6 o    9.438000      0.2569000       9.554000 0.3314000       9.322000      0.3927000      0.2316000      0.5138000
  1 1 1      12  -15    7 o    5.044000      0.3362000       4.623000 0.4725000       5.465000      0.4785000     -0.8424000      0.6724000
  1 1 1      12  -15    8 o    5.665000      0.3272000       5.651000 0.4258000       5.679000      0.4968000     -0.2866000E-01  0.6543000
  1 1 1      12  -15    9 o    5.610000      0.3542000       5.556000 0.4675000       5.665000      0.5323000     -0.1083000      0.7085000
  1 1 1      12  -15   10 o    5.388000      0.3478000       5.181000 0.4851000       5.594000      0.4986000     -0.4127000      0.6956000
  1 1 1      12  -15   11 o    10.03000      0.2962000       9.992000 0.4064000       10.08000      0.4311000     -0.8369000E-01  0.5924000
  1 1 1      12  -15   12 o    1.990000      0.5545000       1.869000 0.7827000       2.110000      0.7857000     -0.2410000       1.109000
  1 1 1      12  -15   13 o    2.135000      0.6037000       2.316000 0.8823000       1.954000      0.8243000      0.3620000       1.207000
  1 1 1      12  -15   14 o    2.607000      0.6036000       2.856000 0.8424000       2.357000      0.8648000      0.4985000       1.207000
  1 1 1      12  -15   15 o    2.141000      0.5758000       2.488000 0.8414000       1.794000      0.7861000      0.6935000       1.152000
  1 1 1      12  -15   16 o    3.484000      0.4982000       3.195000 0.7848000       3.773000      0.6140000     -0.5772000      0.9965000
  1 1 1      12  -15   17 o    5.861000      0.3638000       5.976000 0.4926000       5.746000      0.5354000      0.2298000      0.7276000
  1 1 1      12  -15   18 o    7.349000      0.2902000       7.976000 0.4094000       6.721000      0.4115000       1.255000      0.5805000
  1 1 1      12  -15   19 o    6.957000      0.2710000       7.262000 0.3961000       6.652000      0.3700000      0.6101000      0.5420000
  1 1 1      12  -15   20 o    4.870000      0.3579000       5.518000 0.4822000       4.223000      0.5290000       1.295000      0.7158000
  1 1 1      12  -15   21 o    7.257000      0.2869000       7.210000 0.4424000       7.304000      0.3656000     -0.9384000E-01  0.5739000
  1 1 1      12  -15   22 o    3.228000      0.5633000       3.312000 0.8853000       3.145000      0.6968000      0.1676000       1.127000
  1 1 1      12  -15   23 o    3.150000      0.6021000       3.675000 0.8796000       2.626000      0.8224000       1.049000       1.204000
  1 1 1      12  -15   24 o    3.486000      0.6189000       2.883000 1.013000       4.090000      0.7113000      -1.206000       1.238000
  1 1 1      12  -15   25 o    2.138000      0.6364000       2.055000 0.9120000       2.220000      0.8878000     -0.1655000       1.273000
  1 1 1      12  -15   26 o    2.799000      0.6897000       3.295000 1.033000       2.304000      0.9142000      0.9912000       1.379000
  1 1 1      12  -15   27 o    4.352000      0.6165000       3.754000 1.029000       4.950000      0.6792000      -1.196000       1.233000
  1 1 1      12  -14    0 o    9.570000      0.2723000       9.676000 0.2920000       9.465000      0.4598000      0.2115000      0.5446000
  1 1 1      12  -14    1 o    8.307000      0.2065000       8.438000 0.2866000       8.177000      0.2974000      0.2604000      0.4131000
  1 1 1      12  -14    2 o    6.925000      0.2589000       6.319000 0.4103000       7.530000      0.3158000      -1.211000      0.5177000
  1 1 1      12  -14    3 o    9.340000      0.2145000       9.452000 0.2961000       9.228000      0.3104000      0.2247000      0.4290000
  1 1 1      12  -14    4 o    7.752000      0.2926000       7.753000 0.3943000       7.751000      0.4323000      0.1383000E-02  0.5852000
  1 1 1      12  -14    5 o    15.48000      0.3423000       15.54000 0.4767000       15.42000      0.4913000      0.1264000      0.6846000
  1 1 1      12  -14    6 o    12.73000      0.3050000       12.61000 0.4177000       12.84000      0.4445000     -0.2309000      0.6100000
  1 1 1      12  -14    7 o    2.953000      0.4908000       2.428000 0.7178000       3.479000      0.6696000      -1.051000      0.9816000
  1 1 1      12  -14    8 o    3.457000      0.4486000       3.124000 0.6362000       3.790000      0.6326000     -0.6661000      0.8971000
  1 1 1      12  -14    9 o    7.251000      0.2794000       6.965000 0.3827000       7.537000      0.4071000     -0.5716000      0.5587000
  1 1 1      12  -14   10 o    4.788000      0.3195000       4.891000 0.4503000       4.684000      0.4533000      0.2075000      0.6389000
  1 1 1      12  -14   12 o    3.053000      0.9057000       3.036000 1.363000       3.070000       1.193000     -0.3378000E-01   1.811000
  1 1 1      12  -14   13 o    5.523000      0.8965000       6.136000 1.341000       4.909000       1.190000       1.227000       1.793000
  1 1 1      12  -14   14 o    2.660000      0.7536000       3.110000 1.105000       2.211000       1.025000      0.8987000       1.507000
  1 1 1      12  -14   15 o    3.212000      0.5491000       3.860000 0.6697000       2.564000      0.8704000       1.296000       1.098000
  1 1 1      12  -14   16 o    1.637000      0.5026000       1.544000 0.6881000       1.730000      0.7328000     -0.1857000       1.005000
  1 1 1      12  -14   17 o    6.992000      0.2698000       7.088000 0.3778000       6.897000      0.3852000      0.1912000      0.5395000
  1 1 1      12  -14   18 o    2.019000      0.5052000       1.795000 0.7155000       2.243000      0.7133000     -0.4479000       1.010000
  1 1 1      12  -14   19 o    6.179000      0.2622000       6.642000 0.3662000       5.716000      0.3752000      0.9261000      0.5243000
  1 1 1      12  -14   20 o    4.293000      0.3396000       4.106000 0.5318000       4.480000      0.4226000     -0.3744000      0.6793000
  1 1 1      12  -14   21 o    2.780000      0.4832000       2.179000 0.8046000       3.381000      0.5352000      -1.203000      0.9664000
  1 1 1      12  -14   22 o    3.740000      0.4384000       3.742000 0.6980000       3.739000      0.5307000      0.2382000E-02  0.8769000
  1 1 1      12  -14   23 o    2.190000      0.5590000       2.175000 0.8368000       2.204000      0.7416000     -0.2954000E-01   1.118000
  1 1 1      12  -14   24 o    1.971000      0.5879000       2.173000 0.9134000       1.769000      0.7406000      0.4044000       1.176000
  1 1 1      12  -14   25 f    2.627000      0.6381000       3.222000 0.9967000       2.033000      0.7971000       1.190000       1.276000
  1 1 1      12  -14   26 o    5.575000      0.4652000       4.634000 0.8176000       6.515000      0.4442000      -1.882000      0.9305000
  1 1 1      12  -14   27 o    3.489000      0.5688000       2.507000 0.9683000       4.471000      0.5970000      -1.965000       1.138000
  1 1 1      12  -14   28 f    2.259000      0.6451000       2.348000 0.9779000       2.170000      0.8418000      0.1778000       1.290000
  1 1 1      12  -13    0 o    4.129000      0.2917000       4.080000 0.4097000       4.178000      0.4152000     -0.9854000E-01  0.5833000
  1 1 1      12  -13    1 o    4.518000      0.4601000       5.296000 0.4773000       3.739000      0.7867000       1.557000      0.9201000
  1 1 1      12  -13    2 o    3.797000      0.4489000       3.054000 0.6447000       4.540000      0.6248000      -1.486000      0.8978000
  1 1 1      12  -13    3 o    7.463000      0.1964000       7.576000 0.2742000       7.351000      0.2812000      0.2256000      0.3927000
  1 1 1      12  -13    4 o    7.086000      0.2141000       7.196000 0.2891000       6.976000      0.3159000      0.2200000      0.4282000
  1 1 1      12  -13    5 o    3.671000      0.3315000       3.220000 0.4990000       4.122000      0.4366000     -0.9019000      0.6630000
  1 1 1      12  -13    6 o    6.289000      0.4369000       6.962000 0.2790000       5.616000      0.8281000       1.346000      0.8739000
  1 1 1      12  -13    7 o    6.223000      0.7296000       6.901000 0.6680000       5.544000       1.297000       1.357000       1.459000
  1 1 1      12  -13    8 o    9.067000      0.5383000       9.459000 0.5666000       8.674000      0.9153000      0.7846000       1.077000
  1 1 1      12  -13    9 o    6.873000       1.022000       7.752000 0.9817000       5.993000       1.794000       1.759000       2.045000
  1 1 1      12  -13   10 o    3.950000      0.4111000       4.029000 0.5277000       3.870000      0.6304000      0.1596000      0.8221000
  1 1 1      12  -13   11 o    6.639000      0.2849000       6.279000 0.3833000       7.000000      0.4216000     -0.7212000      0.5698000
  1 1 1      12  -13   12 o    2.080000      0.5135000       2.431000 0.7384000       1.729000      0.7136000      0.7020000       1.027000
  1 1 1      12  -13   13 o    7.443000      0.2903000       7.569000 0.4090000       7.317000      0.4122000      0.2520000      0.5807000
  1 1 1      12  -13   14 o    7.154000      0.4428000       7.017000 0.7806000       7.291000      0.4184000     -0.2738000      0.8857000
  1 1 1      12  -13   15 o    3.444000      0.5109000       3.021000 0.7629000       3.867000      0.6798000     -0.8467000       1.022000
  1 1 1      12  -13   16 o    4.976000      0.3154000       4.955000 0.4432000       4.996000      0.4489000     -0.4174000E-01  0.6308000
  1 1 1      12  -13   17 o    6.212000      0.2746000       6.093000 0.3904000       6.331000      0.3863000     -0.2381000      0.5492000
  1 1 1      12  -13   18 o    2.142000      0.4142000       3.103000 0.6167000       1.181000      0.5532000       1.922000      0.8284000
  1 1 1      12  -13   19 o    3.862000      0.3257000       3.905000 0.4652000       3.819000      0.4560000      0.8590000E-01  0.6514000
  1 1 1      12  -13   20 f    5.410000      0.2758000       5.313000 0.4311000       5.507000      0.3442000     -0.1945000      0.5517000
  1 1 1      12  -13   21 o    10.24000      0.2610000       9.945000 0.3845000       10.52000      0.3529000     -0.5795000      0.5219000
  1 1 1      12  -13   22 o    3.798000      0.4124000       3.474000 0.7110000       4.122000      0.4180000     -0.6476000      0.8248000
  1 1 1      12  -13   23 o    2.710000      0.5084000       2.754000 0.7846000       2.666000      0.6468000      0.8807000E-01   1.017000
  1 1 1      12  -13   24 o    1.843000      0.5270000       1.593000 0.7306000       2.092000      0.7597000     -0.4995000       1.054000
  1 1 1      12  -13   25 o    6.344000      0.3421000       6.571000 0.5427000       6.116000      0.4167000      0.4544000      0.6842000
  1 1 1      12  -13   26 o    6.945000      0.3408000       6.686000 0.5520000       7.205000      0.3999000     -0.5191000      0.6816000
  1 1 1      12  -13   27 o    5.028000      0.4400000       4.893000 0.7026000       5.163000      0.5297000     -0.2699000      0.8799000
  1 1 1      12  -13   28 o    3.440000      0.5648000       2.988000 0.9137000       3.893000      0.6641000     -0.9052000       1.130000
  1 1 1      12  -13   29 o    4.369000      0.7373000       4.369000 0.7373000                  ?              ?              ?              ?
  1 1 1      12  -12    0 o    2.492000      0.5592000       2.062000 0.6942000       2.922000      0.8769000     -0.8594000       1.118000
  1 1 1      12  -12    1 o    8.595000      0.2241000       8.725000 0.2746000       8.464000      0.3543000      0.2617000      0.4483000
  1 1 1      12  -12    2 o    10.09000      0.1988000       10.03000 0.2770000       10.16000      0.2853000     -0.1237000      0.3976000
  1 1 1      12  -12    3 f    11.62000      0.2754000       11.47000 0.3854000       11.77000      0.3935000     -0.3008000      0.5508000
  1 1 1      12  -12    4 o    7.191000      0.2903000       7.226000 0.4105000       7.156000      0.4106000      0.7023000E-01  0.5806000
  1 1 1      12  -12    5 o    9.240000      0.2915000       9.053000 0.4019000       9.427000      0.4224000     -0.3746000      0.5830000
  1 1 1      12  -12    6 o    5.777000      0.2252000       5.651000 0.2933000       5.902000      0.3419000     -0.2511000      0.4505000
  1 1 1      12  -12    7 o    2.816000      0.4514000       3.212000 0.5052000       2.420000      0.7482000      0.7918000      0.9027000
  1 1 1      12  -12    8 o    2.784000      0.4575000       2.611000 0.6096000       2.958000      0.6823000     -0.3465000      0.9149000
  1 1 1      12  -12    9 o    2.158000      0.4849000       1.746000 0.6665000       2.570000      0.7044000     -0.8243000      0.9697000
  1 1 1      12  -12   10 o    7.417000      0.2515000       7.695000 0.3390000       7.139000      0.3715000      0.5554000      0.5030000
  1 1 1      12  -12   11 o    6.595000      0.2575000       6.338000 0.3584000       6.851000      0.3699000     -0.5127000      0.5150000
  1 1 1      12  -12   12 f    2.794000      0.4795000       2.886000 0.6355000       2.701000      0.7181000      0.1852000      0.9590000
  1 1 1      12  -12   13 o    4.662000      0.3362000       4.828000 0.4778000       4.497000      0.4732000      0.3306000      0.6725000
  1 1 1      12  -12   14 o    4.814000      0.3759000       4.895000 0.5301000       4.733000      0.5332000      0.1621000      0.7519000
  1 1 1      12  -12   15 o    7.903000      0.2609000       7.547000 0.3595000       8.260000      0.3781000     -0.7134000      0.5217000
  1 1 1      12  -12   16 o    1.894000      0.5047000       1.864000 0.7137000       1.923000      0.7139000     -0.5941000E-01   1.009000
  1 1 1      12  -12   17 f    3.472000      0.3924000       3.521000 0.5273000       3.423000      0.5812000      0.9730000E-01  0.7848000
  1 1 1      12  -12   18 o    6.633000      0.2152000       6.873000 0.3091000       6.393000      0.2994000      0.4798000      0.4303000
  1 1 1      12  -12   19 f    5.182000      0.2394000       5.131000 0.3446000       5.232000      0.3326000     -0.1011000      0.4789000
  1 1 1      12  -12   20 o    6.405000      0.2306000       6.075000 0.3635000       6.736000      0.2839000     -0.6612000      0.4612000
  1 1 1      12  -12   21 f    2.411000      0.4204000       1.602000 0.6826000       3.219000      0.4909000      -1.617000      0.8408000
  1 1 1      12  -12   22 o    9.351000      0.2514000       9.305000 0.3778000       9.397000      0.3317000     -0.9265000E-01  0.5028000
  1 1 1      12  -12   23 o    1.844000      0.5093000       2.125000 0.7870000       1.564000      0.6466000      0.5608000       1.019000
  1 1 1      12  -12   24 o    7.749000      0.2927000       7.372000 0.4506000       8.125000      0.3735000     -0.7530000      0.5853000
  1 1 1      12  -12   25 o    2.298000      0.5839000       2.373000 0.9007000       2.223000      0.7433000      0.1496000       1.168000
  1 1 1      12  -12   26 o    1.844000      0.5440000       1.921000 0.8426000       1.766000      0.6883000      0.1551000       1.088000
  1 1 1      12  -12   27 o    2.135000      0.5686000       1.674000 0.7868000       2.597000      0.8210000     -0.9233000       1.137000
  1 1 1      12  -12   28 o    3.180000      0.5701000       3.065000 0.8875000       3.296000      0.7158000     -0.2304000       1.140000
  1 1 1      12  -12   29 o    1.980000      0.6037000       2.175000 0.8627000       1.785000      0.8446000      0.3896000       1.207000
  1 1 1      12  -12   30 o    3.247000      0.5268000       2.145000 0.8695000       4.349000      0.5950000      -2.204000       1.054000
  1 1 1      12  -11    0 f    10.64000      0.1978000       10.85000 0.2791000       10.42000      0.2804000      0.4296000      0.3956000
  1 1 1      12  -11    1 o    5.022000      0.4282000       5.022000 0.4282000                  ?              ?              ?              ?
  1 1 1      12  -11    2 f    11.29000      0.2744000       11.53000 0.3964000       11.04000      0.3794000      0.4910000      0.5488000
  1 1 1      12  -11    3 o    7.669000      0.2710000                  ?       ?   7.669000      0.2710000                  ?              ?
  1 1 1      12  -11    4 o    5.766000      0.2020000       5.732000 0.2878000       5.799000      0.2834000     -0.6713000E-01  0.4039000
  1 1 1      12  -11    5 o    7.121000      0.1932000       7.240000 0.2577000       7.003000      0.2878000      0.2364000      0.3864000
  1 1 1      12  -11    6 o    1.883000      0.4443000       1.599000 0.6074000       2.167000      0.6485000     -0.5673000      0.8885000
  1 1 1      12  -11    7 o    5.457000      0.2302000       5.655000 0.2883000       5.258000      0.3589000      0.3970000      0.4603000
  1 1 1      12  -11    8 o    7.940000      0.2191000       7.668000 0.2806000       8.212000      0.3367000     -0.5438000      0.4383000
  1 1 1      12  -11    9 o    2.125000      0.4790000       2.096000 0.6262000       2.155000      0.7249000     -0.5918000E-01  0.9579000
  1 1 1      12  -11   10 o    9.643000      0.2361000       9.707000 0.3076000       9.579000      0.3582000      0.1287000      0.4722000
  1 1 1      12  -11   11 o    10.01000      0.2497000       9.904000 0.3262000       10.12000      0.3781000     -0.2182000      0.4993000
  1 1 1      12  -11   12 o    1.664000      0.4720000       1.356000 0.6023000       1.972000      0.7270000     -0.6166000      0.9440000
  1 1 1      12  -11   13 o    8.662000      0.2414000       8.364000 0.3306000       8.960000      0.3517000     -0.5963000      0.4827000
  1 1 1      12  -11   14 o    8.667000      0.2813000       8.884000 0.4149000       8.451000      0.3799000      0.4334000      0.5625000
  1 1 1      12  -11   15 o    4.134000      0.3982000       4.138000 0.5336000       4.130000      0.5912000      0.7896000E-02  0.7964000
  1 1 1      12  -11   16 o    1.873000      0.4874000       1.945000 0.6881000       1.802000      0.6905000      0.1430000      0.9748000
  1 1 1      12  -11   17 o    5.344000      0.2568000       5.847000 0.3422000       4.841000      0.3830000       1.006000      0.5137000
  1 1 1      12  -11   18 f    10.26000      0.2110000       10.36000 0.3127000       10.15000      0.2834000      0.2120000      0.4220000
  1 1 1      12  -11   19 o    3.140000      0.3270000       3.066000 0.5028000       3.215000      0.4183000     -0.1492000      0.6540000
  1 1 1      12  -11   20 o    2.097000      0.4024000       1.608000 0.6430000       2.586000      0.4840000     -0.9783000      0.8048000
  1 1 1      12  -11   21 f    8.999000      0.2375000       8.635000 0.3493000       9.362000      0.3218000     -0.7267000      0.4749000
  1 1 1      12  -11   22 o    13.17000      0.2867000       12.99000 0.4136000       13.35000      0.3972000     -0.3574000      0.5734000
  1 1 1      12  -11   23 o    2.671000      0.5146000       2.468000 0.8107000       2.875000      0.6339000     -0.4066000       1.029000
  1 1 1      12  -11   24 o    4.056000      0.4632000       3.198000 0.8045000       4.913000      0.4593000      -1.715000      0.9264000
  1 1 1      12  -11   25 o    1.751000      0.5253000       2.308000 0.8825000       1.194000      0.5699000       1.114000       1.051000
  1 1 1      12  -11   26 o    1.931000      0.5677000       2.070000 0.8827000       1.792000      0.7141000      0.2779000       1.135000
  1 1 1      12  -11   27 o    3.070000      0.5391000       2.859000 0.8805000       3.282000      0.6222000     -0.4222000       1.078000
  1 1 1      12  -11   28 o    2.344000      0.5543000       2.048000 0.8420000       2.641000      0.7209000     -0.5935000       1.109000
  1 1 1      12  -11   29 o    5.129000      0.3710000       5.009000 0.5890000       5.249000      0.4513000     -0.2394000      0.7420000
  1 1 1      12  -11   30 o    3.117000      0.5171000       3.793000 0.6787000       2.440000      0.7803000       1.353000       1.034000
  1 1 1      12  -11   31 o    2.361000      0.4835000       3.314000 0.7197000       1.408000      0.6459000       1.906000      0.9670000
  1 1 1      12  -10    0 o    2.701000      0.3663000       2.791000 0.5137000       2.611000      0.5222000      0.1804000      0.7325000
  1 1 1      12  -10    1 o    6.184000      0.2695000       6.583000 0.2683000       5.785000      0.4674000      0.7973000      0.5389000
  1 1 1      12  -10    2 o    4.548000      0.2198000       4.258000 0.3210000       4.838000      0.3003000     -0.5807000      0.4395000
  1 1 1      12  -10    3 o    2.612000      0.3377000       2.996000 0.3562000       2.227000      0.5739000      0.7685000      0.6755000
  1 1 1      12  -10    4 o    4.686000      0.2170000       4.863000 0.2920000       4.510000      0.3210000      0.3522000      0.4340000
  1 1 1      12  -10    5 o    6.935000      0.1776000       6.920000 0.2453000       6.949000      0.2570000     -0.2904000E-01  0.3552000
  1 1 1      12  -10    6 o    10.91000      0.1929000       10.81000 0.2657000       11.01000      0.2796000     -0.1971000      0.3857000
  1 1 1      12  -10    7 f    10.33000      0.1930000       10.64000 0.2678000       10.03000      0.2779000      0.6060000      0.3860000
  1 1 1      12  -10    8 o    1.570000      0.4347000       1.700000 0.6052000       1.440000      0.6242000      0.2601000      0.8694000
  1 1 1      12  -10    9 o    5.767000      0.2339000       5.905000 0.3029000       5.629000      0.3565000      0.2765000      0.4678000
  1 1 1      12  -10   10 o    3.750000      0.3408000       4.186000 0.3683000       3.314000      0.5735000      0.8714000      0.6816000
  1 1 1      12  -10   11 o    3.637000      0.3406000       3.159000 0.4985000       4.114000      0.4643000     -0.9546000      0.6813000
  1 1 1      12  -10   12 o    9.068000      0.2371000       8.720000 0.3209000       9.415000      0.3492000     -0.6956000      0.4742000
  1 1 1      12  -10   13 o    6.034000      0.2509000       6.258000 0.3281000       5.809000      0.3798000      0.4496000      0.5019000
  1 1 1      12  -10   14 o    5.902000      0.2835000       5.465000 0.4254000       6.338000      0.3747000     -0.8727000      0.5669000
  1 1 1      12  -10   15 o    4.633000      0.3251000       4.515000 0.4515000       4.751000      0.4680000     -0.2358000      0.6502000
  1 1 1      12  -10   16 o    5.259000      0.2357000       5.531000 0.3156000       4.987000      0.3501000      0.5435000      0.4714000
  1 1 1      12  -10   17 o    7.026000      0.2074000       7.083000 0.2905000       6.969000      0.2960000      0.1141000      0.4147000
  1 1 1      12  -10   18 o    10.47000      0.2051000       10.43000 0.3011000       10.51000      0.2787000     -0.7993000E-01  0.4103000
  1 1 1      12  -10   19 o    13.57000      0.2800000       13.53000 0.3958000       13.61000      0.3961000     -0.7736000E-01  0.5599000
  1 1 1      12  -10   20 o    6.974000      0.2083000       6.988000 0.3155000       6.960000      0.2722000      0.2753000E-01  0.4167000
  1 1 1      12  -10   21 o    8.481000      0.2192000       8.690000 0.3349000       8.273000      0.2828000      0.4168000      0.4383000
  1 1 1      12  -10   22 o    1.497000      0.4397000       1.497000 0.6441000       1.497000      0.5988000     -0.7654000E-03  0.8795000
  1 1 1      12  -10   23 o    11.06000      0.2772000       11.10000 0.4181000       11.02000      0.3641000      0.8400000E-01  0.5544000
  1 1 1      12  -10   24 o    1.723000      0.5089000       1.943000 0.7983000       1.503000      0.6314000      0.4395000       1.018000
  1 1 1      12  -10   25 o    5.260000      0.3413000       4.952000 0.5812000       5.567000      0.3579000     -0.6155000      0.6826000
  1 1 1      12  -10   26 o    2.679000      0.5164000       2.368000 0.8414000       2.990000      0.5989000     -0.6213000       1.033000
  1 1 1      12  -10   27 o    3.675000      0.4619000       3.587000 0.7562000       3.763000      0.5307000     -0.1759000      0.9238000
  1 1 1      12  -10   28 o    3.012000      0.5476000       2.784000 0.8730000       3.239000      0.6611000     -0.4555000       1.095000
  1 1 1      12  -10   29 o    4.847000      0.3395000       4.597000 0.5232000       5.097000      0.4327000     -0.5007000      0.6789000
  1 1 1      12  -10   30 f    2.807000      0.4857000       3.571000 0.6305000       2.043000      0.7389000       1.528000      0.9713000
  1 1 1      12  -10   31 o    2.409000      0.5231000       2.093000 0.7541000       2.725000      0.7253000     -0.6319000       1.046000
  1 1 1      12   -9    0 o    8.428000      0.1894000       8.498000 0.2653000       8.357000      0.2704000      0.1415000      0.3788000
  1 1 1      12   -9    1 o    9.481000      0.1862000       9.659000 0.2613000       9.302000      0.2655000      0.3565000      0.3725000
  1 1 1      12   -9    2 o    7.082000      0.1815000       7.179000 0.2523000       6.985000      0.2611000      0.1947000      0.3631000
  1 1 1      12   -9    3 o    3.393000      0.2560000       3.457000 0.3549000       3.328000      0.3689000      0.1280000      0.5119000
  1 1 1      12   -9    4 o    10.13000      0.1834000       10.11000 0.2571000       10.15000      0.2615000     -0.4088000E-01  0.3668000
  1 1 1      12   -9    5 o    9.587000      0.1789000       9.819000 0.2517000       9.355000      0.2541000      0.4636000      0.3577000
  1 1 1      12   -9    6 o    6.117000      0.1747000       6.014000 0.2409000       6.221000      0.2531000     -0.2069000      0.3495000
  1 1 1      12   -9    7 o    6.026000      0.1890000       6.127000 0.2468000       5.925000      0.2864000      0.2023000      0.3780000
  1 1 1      12   -9    8 o    1.295000      0.3782000       1.422000 0.5366000       1.169000      0.5331000      0.2526000      0.7564000
  1 1 1      12   -9    9 o    6.103000      0.2243000       6.599000 0.2771000       5.606000      0.3528000      0.9934000      0.4486000
  1 1 1      12   -9   10 o    9.919000      0.2225000       9.973000 0.2763000       9.864000      0.3489000      0.1089000      0.4451000
  1 1 1      12   -9   11 o    2.640000      0.4076000       2.212000 0.5930000       3.068000      0.5596000     -0.8555000      0.8153000
  1 1 1      12   -9   12 o    9.927000      0.2357000       9.624000 0.3131000       10.23000      0.3522000     -0.6075000      0.4713000
  1 1 1      12   -9   13 o    9.841000      0.2352000       9.286000 0.3106000       10.40000      0.3532000      -1.110000      0.4704000
  1 1 1      12   -9   14 o    3.892000      0.3152000       3.887000 0.4260000       3.897000      0.4647000     -0.1006000E-01  0.6304000
  1 1 1      12   -9   15 o    6.289000      0.2434000       6.357000 0.3230000       6.220000      0.3642000      0.1370000      0.4868000
  1 1 1      12   -9   16 o    11.65000      0.2391000       11.39000 0.2748000       11.91000      0.3913000     -0.5291000      0.4782000
  1 1 1      12   -9   17 o    8.598000      0.1892000       8.892000 0.2721000       8.305000      0.2630000      0.5870000      0.3784000
  1 1 1      12   -9   18 o    2.534000      0.3490000       1.938000 0.5732000       3.130000      0.3983000      -1.192000      0.6981000
  1 1 1      12   -9   19 o    7.932000      0.1940000       7.997000 0.2905000       7.868000      0.2571000      0.1285000      0.3880000
  1 1 1      12   -9   20 f    5.481000      0.2153000       5.268000 0.3374000       5.694000      0.2677000     -0.4263000      0.4307000
  1 1 1      12   -9   21 o    1.500000      0.3971000       1.255000 0.5684000       1.745000      0.5548000     -0.4907000      0.7942000
  1 1 1      12   -9   22 o    7.968000      0.2349000       8.115000 0.3690000       7.821000      0.2908000      0.2935000      0.4698000
  1 1 1      12   -9   23 o    2.781000      0.4629000       2.577000 0.7723000       2.985000      0.5108000     -0.4081000      0.9259000
  1 1 1      12   -9   24 o    1.720000      0.4964000       1.955000 0.7904000       1.484000      0.6007000      0.4711000      0.9928000
  1 1 1      12   -9   25 o    6.965000      0.2778000       7.249000 0.4569000       6.682000      0.3163000      0.5667000      0.5557000
  1 1 1      12   -9   26 o    4.275000      0.5396000       4.244000 0.5994000       4.306000      0.8975000     -0.6247000E-01   1.079000
  1 1 1      12   -9   27 o    4.556000      0.4081000       3.795000 0.7218000       5.318000      0.3810000      -1.522000      0.8162000
  1 1 1      12   -9   28 o    6.040000      0.3492000       5.607000 0.6126000       6.473000      0.3353000     -0.8661000      0.6984000
  1 1 1      12   -9   29 o    4.630000      0.3448000       4.011000 0.5778000       5.249000      0.3764000      -1.238000      0.6896000
  1 1 1      12   -9   30 f    2.155000      0.7729000       2.155000 0.7729000                  ?              ?              ?              ?
  1 1 1      12   -9   31 o    2.618000      0.5143000       2.448000 0.7553000       2.789000      0.6981000     -0.3409000       1.029000
  1 1 1      12   -9   32 o    3.011000      0.5013000       3.106000 0.7373000       2.916000      0.6794000      0.1908000       1.003000
  1 1 1      12   -8    0 o    6.020000      0.1993000       5.725000 0.2866000       6.314000      0.2770000     -0.5892000      0.3986000
  1 1 1      12   -8    1 o    4.959000      0.2069000       4.820000 0.2904000       5.097000      0.2949000     -0.2765000      0.4139000
  1 1 1      12   -8    2 o    4.397000      0.2117000       4.351000 0.3152000       4.443000      0.2826000     -0.9192000E-01  0.4234000
  1 1 1      12   -8    3 o    2.761000      0.3169000       3.059000 0.4051000       2.463000      0.4874000      0.5956000      0.6338000
  1 1 1      12   -8    4 o    13.52000      0.2085000       13.40000 0.2903000       13.64000      0.2993000     -0.2429000      0.4169000
  1 1 1      12   -8    5 o    5.875000      0.1786000       5.969000 0.2456000       5.781000      0.2594000      0.1885000      0.3572000
  1 1 1      12   -8    6 o    2.055000      0.3656000       2.267000 0.4825000       1.844000      0.5495000      0.4234000      0.7313000
  1 1 1      12   -8    7 o    6.406000      0.1691000       6.482000 0.2286000       6.330000      0.2491000      0.1518000      0.3381000
  1 1 1      12   -8    8 o    3.632000      0.2509000       3.579000 0.3215000       3.685000      0.3852000     -0.1062000      0.5017000
  1 1 1      12   -8    9 o    1.970000      0.3961000       2.266000 0.4799000       1.673000      0.6303000      0.5931000      0.7922000
  1 1 1      12   -8   10 o    2.110000      0.4110000       1.992000 0.5440000       2.227000      0.6163000     -0.2359000      0.8220000
  1 1 1      12   -8   11 o    7.882000      0.2072000       7.892000 0.2723000       7.872000      0.3125000      0.2050000E-01  0.4145000
  1 1 1      12   -8   12 o    6.435000      0.2213000       6.343000 0.3008000       6.528000      0.3247000     -0.1848000      0.4426000
  1 1 1      12   -8   13 o    7.126000      0.2173000       6.920000 0.2909000       7.333000      0.3228000     -0.4137000      0.4345000
  1 1 1      12   -8   14 o    9.322000      0.2300000       9.189000 0.3205000       9.455000      0.3300000     -0.2662000      0.4600000
  1 1 1      12   -8   15 o    5.217000      0.2416000       4.713000 0.3527000       5.721000      0.3304000      -1.009000      0.4832000
  1 1 1      12   -8   16 o    5.905000      0.1867000       5.577000 0.2628000       6.233000      0.2654000     -0.6568000      0.3735000
  1 1 1      12   -8   17 f    5.704000      0.1892000       5.830000 0.2742000       5.577000      0.2607000      0.2526000      0.3783000
  1 1 1      12   -8   18 o    4.501000      0.6973000       3.344000 1.241000       5.658000      0.6362000      -2.314000       1.395000
  1 1 1      12   -8   19 o    9.284000      0.4822000       8.982000 0.8242000       9.585000      0.5009000     -0.6037000      0.9644000
  1 1 1      12   -8   20 o    6.391000      0.9158000       5.798000 1.613000       6.984000      0.8669000      -1.186000       1.832000
  1 1 1      12   -8   21 o    2.936000      0.8491000       2.209000 1.001000       3.664000       1.372000      -1.455000       1.698000
  1 1 1      12   -8   22 o    3.734000      0.9911000       4.064000 1.350000       3.403000       1.451000      0.6610000       1.982000
  1 1 1      12   -8   23 o    3.410000      0.8664000       3.417000 1.296000       3.404000       1.150000      0.1343000E-01   1.733000
  1 1 1      12   -8   24 o    4.070000      0.8324000       5.080000 1.243000       3.060000       1.107000       2.020000       1.665000
  1 1 1      12   -8   25 o    3.503000      0.7373000       4.309000 1.088000       2.698000      0.9956000       1.611000       1.475000
  1 1 1      12   -8   26 o    3.069000      0.5984000       3.340000 1.031000       2.799000      0.6082000      0.5411000       1.197000
  1 1 1      12   -8   27 o    2.076000      0.5162000       2.377000 0.7990000       1.775000      0.6538000      0.6024000       1.032000
  1 1 1      12   -8   28 o    3.395000      0.4089000       2.940000 0.7022000       3.850000      0.4192000     -0.9100000      0.8178000
  1 1 1      12   -8   29 o    4.271000      0.3306000       4.355000 0.4961000       4.187000      0.4372000      0.1677000      0.6612000
  1 1 1      12   -8   30 o    4.794000      0.3310000       4.604000 0.4449000       4.984000      0.4903000     -0.3803000      0.6620000
  1 1 1      12   -8   31 o    4.329000      0.3293000       3.897000 0.5209000       4.760000      0.4030000     -0.8628000      0.6586000
  1 1 1      12   -8   32 o    4.609000      0.4360000                  ?       ?   4.609000      0.4360000                  ?              ?
  1 1 1      12   -7    0 o    3.144000      0.3032000       2.780000 0.4657000       3.509000      0.3884000     -0.7291000      0.6064000
  1 1 1      12   -7    1 o    5.386000      0.1948000       5.446000 0.2694000       5.326000      0.2815000      0.1194000      0.3896000
  1 1 1      12   -7    2 o    10.11000      0.2591000       10.11000 0.2591000                  ?              ?              ?              ?
  1 1 1      12   -7    3 o    4.758000      0.1945000       4.624000 0.2816000       4.893000      0.2684000     -0.2685000      0.3890000
  1 1 1      12   -7    4 o    1.336000      0.5277000                  ?       ?   1.336000      0.5277000                  ?              ?
  1 1 1      12   -7    5 o    3.504000      0.2787000       3.610000 0.4549000       3.398000      0.3222000      0.2124000      0.5575000
  1 1 1      12   -7    6 o    14.10000      0.2113000       13.96000 0.2954000       14.24000      0.3022000     -0.2815000      0.4226000
  1 1 1      12   -7    7 o    7.707000      0.1601000       7.784000 0.2203000       7.629000      0.2325000      0.1542000      0.3203000
  1 1 1      12   -7    8 o    8.889000      0.1692000       9.048000 0.2327000       8.729000      0.2457000      0.3190000      0.3384000
  1 1 1      12   -7    9 o    5.101000      0.1856000       5.084000 0.2446000       5.118000      0.2793000     -0.3366000E-01  0.3713000
  1 1 1      12   -7   10 o    7.279000      0.1857000       7.096000 0.2411000       7.463000      0.2824000     -0.3665000      0.3714000
  1 1 1      12   -7   11 o    12.08000      0.2388000       11.69000 0.2821000       12.48000      0.3854000     -0.7831000      0.4776000
  1 1 1      12   -7   12 o    1.833000      0.4130000       1.974000 0.5431000       1.693000      0.6222000      0.2812000      0.8259000
  1 1 1      12   -7   13 o    4.497000      0.2401000       4.427000 0.3293000       4.567000      0.3495000     -0.1397000      0.4802000
  1 1 1      12   -7   14 o    5.879000      0.2190000       5.422000 0.3108000       6.335000      0.3087000     -0.9127000      0.4381000
  1 1 1      12   -7   15 o    1.220000      0.3820000       1.137000 0.5244000       1.302000      0.5555000     -0.1647000      0.7639000
  1 1 1      12   -7   16 o    5.775000      0.1994000       5.656000 0.2509000       5.895000      0.3101000     -0.2395000      0.3989000
  1 1 1      12   -7   17 o    3.190000      0.2296000       3.276000 0.3191000       3.104000      0.3301000      0.1716000      0.4591000
  1 1 1      12   -7   18 o    12.05000      0.1996000       12.06000 0.2930000       12.04000      0.2710000      0.1467000E-01  0.3992000
  1 1 1      12   -7   19 o    17.15000      0.2990000       17.49000 0.4850000       16.81000      0.3500000      0.6858000      0.5981000
  1 1 1      12   -7   20 o    10.86000      0.2202000       10.74000 0.3330000       10.98000      0.2881000     -0.2327000      0.4403000
  1 1 1      12   -7   21 o    7.402000      0.2182000       7.772000 0.3352000       7.031000      0.2795000      0.7411000      0.4365000
  1 1 1      12   -7   22 o    7.395000      0.2316000       7.725000 0.3622000       7.065000      0.2888000      0.6604000      0.4633000
  1 1 1      12   -7   23 o    7.908000      0.2389000       7.858000 0.3812000       7.957000      0.2878000     -0.9857000E-01  0.4777000
  1 1 1      12   -7   24 o    6.044000      0.2828000       5.850000 0.4710000       6.239000      0.3132000     -0.3890000      0.5656000
  1 1 1      12   -7   25 o    2.488000      0.5030000       2.849000 0.7754000       2.127000      0.6411000      0.7216000       1.006000
  1 1 1      12   -7   26 o    5.344000      0.3305000       4.998000 0.5858000       5.690000      0.3061000     -0.6919000      0.6609000
  1 1 1      12   -7   27 o    2.918000      0.4918000       2.446000 0.7990000       3.390000      0.5735000     -0.9437000      0.9836000
  1 1 1      12   -7   29 o    5.975000      0.2782000       5.779000 0.4045000       6.170000      0.3820000     -0.3915000      0.5564000
  1 1 1      12   -7   30 o    3.179000      0.4760000       3.940000 0.5733000       2.418000      0.7600000       1.522000      0.9519000
  1 1 1      12   -7   31 o    3.518000      0.3770000       3.503000 0.5481000       3.533000      0.5177000     -0.3049000E-01  0.7539000
  1 1 1      12   -7   32 o    6.575000      0.2595000       6.621000 0.4061000       6.529000      0.3233000      0.9194000E-01  0.5190000
  1 1 1      12   -7   33 o    2.936000      0.4461000       3.037000 0.6343000       2.835000      0.6275000      0.2025000      0.8922000
  1 1 1      12   -6    0 o    7.678000      0.1834000       7.586000 0.2560000       7.769000      0.2626000     -0.1828000      0.3667000
  1 1 1      12   -6    1 o    11.29000      0.1937000       11.21000 0.2705000       11.38000      0.2775000     -0.1700000      0.3875000
  1 1 1      12   -6    2 o    6.375000      0.2366000       6.823000 0.2514000       5.926000      0.4008000      0.8968000      0.4731000
  1 1 1      12   -6    3 o    5.515000      0.1797000       5.532000 0.2527000       5.497000      0.2554000      0.3470000E-01  0.3593000
  1 1 1      12   -6    4 o    3.949000      0.2203000       3.873000 0.2500000       4.026000      0.3627000     -0.1531000      0.4405000
  1 1 1      12   -6    5 o    5.166000      0.1727000       5.254000 0.2455000       5.079000      0.2430000      0.1756000      0.3455000
  1 1 1      12   -6    6 o    10.71000      0.1766000       11.05000 0.2518000       10.37000      0.2478000      0.6804000      0.3533000
  1 1 1      12   -6    7 o    2.502000      0.2800000       2.128000 0.4346000       2.876000      0.3533000     -0.7475000      0.5601000
  1 1 1      12   -6    8 o    11.79000      0.1842000       11.73000 0.2573000       11.86000      0.2637000     -0.1290000      0.3684000
  1 1 1      12   -6    9 o    7.151000      0.2229000       7.004000 0.2957000       7.297000      0.3335000     -0.2927000      0.4457000
  1 1 1      12   -6   10 o    4.255000      0.2515000       4.254000 0.3249000       4.256000      0.3840000     -0.2138000E-02  0.5030000
  1 1 1      12   -6   11 o    2.685000      0.3507000       2.969000 0.3990000       2.401000      0.5768000      0.5676000      0.7014000
  1 1 1      12   -6   12 o    4.644000      0.2159000       4.355000 0.2985000       4.933000      0.3119000     -0.5780000      0.4318000
  1 1 1      12   -6   13 o    10.27000      0.2223000       9.906000 0.2855000       10.62000      0.3409000     -0.7190000      0.4447000
  1 1 1      12   -6   14 o    6.700000      0.2656000       6.700000 0.2656000                  ?              ?              ?              ?
  1 1 1      12   -6   15 o    2.369000      0.6032000       1.133000 0.4570000       3.605000       1.117000      -2.473000       1.206000
  1 1 1      12   -6   16 o    3.869000      0.2750000       4.004000 0.3085000       3.734000      0.4553000      0.2703000      0.5500000
  1 1 1      12   -6   17 o    3.661000      0.2016000       3.815000 0.2793000       3.508000      0.2907000      0.3068000      0.4031000
  1 1 1      12   -6   18 o    16.60000      0.3240000       16.62000 0.4593000       16.59000      0.4572000      0.3006000E-01  0.6481000
  1 1 1      12   -6   19 o    11.17000      0.2357000       11.24000 0.3387000       11.10000      0.3280000      0.1384000      0.4715000
  1 1 1      12   -6   20 o    7.346000      0.1990000       7.541000 0.2974000       7.151000      0.2646000      0.3901000      0.3981000
  1 1 1      12   -6   21 o    9.898000      0.2294000       9.945000 0.3379000       9.851000      0.3104000      0.9356000E-01  0.4588000
  1 1 1      12   -6   22 o    6.552000      0.2314000       6.421000 0.3623000       6.683000      0.2880000     -0.2624000      0.4629000
  1 1 1      12   -6   23 o    6.502000      0.2435000       6.216000 0.3814000       6.787000      0.3028000     -0.5709000      0.4870000
  1 1 1      12   -6   24 o    18.21000      0.3707000       18.47000 0.5399000       17.95000      0.5080000      0.5153000      0.7413000
  1 1 1      12   -6   26 o    4.831000      0.3597000       5.441000 0.5393000       4.221000      0.4760000       1.221000      0.7193000
  1 1 1      12   -6   27 o    8.453000      0.1904000       8.667000 0.2918000       8.239000      0.2447000      0.4281000      0.3808000
  1 1 1      12   -6   28 o    5.678000      0.1967000       5.532000 0.2924000       5.824000      0.2631000     -0.2920000      0.3934000
  1 1 1      12   -6   29 o    1.618000      0.4329000       1.490000 0.6151000       1.746000      0.6092000     -0.2554000      0.8657000
  1 1 1      12   -6   30 o    1.749000      0.4504000       1.442000 0.6174000       2.055000      0.6559000     -0.6131000      0.9008000
  1 1 1      12   -6   31 o    5.530000      0.2894000       5.627000 0.4137000       5.433000      0.4049000      0.1938000      0.5789000
  1 1 1      12   -6   32 o    3.752000      0.4501000       4.531000 0.5323000       2.973000      0.7259000       1.558000      0.9001000
  1 1 1      12   -6   33 o    5.264000      0.3449000       5.653000 0.4391000       4.874000      0.5319000      0.7789000      0.6897000
  1 1 1      12   -5    0 f    3.781000      0.3924000       4.103000 0.4611000       3.458000      0.6351000      0.6449000      0.7849000
  1 1 1      12   -5    1 o    6.714000      0.1805000       6.730000 0.2505000       6.698000      0.2600000      0.3293000E-01  0.3610000
  1 1 1      12   -5    2 o    10.29000      0.1844000       10.25000 0.2574000       10.33000      0.2642000     -0.7807000E-01  0.3689000
  1 1 1      12   -5    3 o    4.184000      0.2075000       4.128000 0.3015000       4.239000      0.2853000     -0.1112000      0.4151000
  1 1 1      12   -5    4 o    3.831000      0.2210000       3.636000 0.3301000       4.027000      0.2940000     -0.3907000      0.4420000
  1 1 1      12   -5    5 f    18.09000      0.2586000       18.13000 0.3660000       18.05000      0.3655000      0.7705000E-01  0.5172000
  1 1 1      12   -5    6 o    11.61000      0.2677000       12.03000 0.3778000       11.19000      0.3794000      0.8400000      0.5354000
  1 1 1      12   -5    7 o    4.560000      0.2565000       4.723000 0.3300000       4.397000      0.3928000      0.3262000      0.5130000
  1 1 1      12   -5    8 f    11.69000      0.2627000       11.73000 0.3658000       11.65000      0.3772000      0.8591000E-01  0.5255000
  1 1 1      12   -5    9 o    4.197000      0.1682000       4.301000 0.2236000       4.094000      0.2513000      0.2064000      0.3364000
  1 1 1      12   -5   10 o    8.896000      0.1619000       8.982000 0.2219000       8.811000      0.2358000      0.1709000      0.3238000
  1 1 1      12   -5   11 o    5.267000      0.4389000       5.600000 0.4311000       4.933000      0.7647000      0.6674000      0.8778000
  1 1 1      12   -5   12 o    3.228000      0.7813000       2.604000 0.8642000       3.852000       1.302000      -1.248000       1.563000
  1 1 1      12   -5   13 o    3.032000      0.7586000       3.679000 1.087000       2.384000       1.059000       1.294000       1.517000
  1 1 1      12   -5   14 o    4.414000      0.2123000       4.048000 0.2959000       4.779000      0.3045000     -0.7306000      0.4246000
  1 1 1      12   -5   15 o    6.702000      0.1687000       6.861000 0.2155000       6.544000      0.2596000      0.3167000      0.3374000
  1 1 1      12   -5   16 o    9.227000      0.1514000       8.944000 0.2058000       9.511000      0.2221000     -0.5675000      0.3027000
  1 1 1      12   -5   17 o    1.368000      0.3135000       1.299000 0.4383000       1.438000      0.4482000     -0.1394000      0.6269000
  1 1 1      12   -5   18 o    12.96000      0.1964000       13.04000 0.2888000       12.89000      0.2662000      0.1473000      0.3927000
  1 1 1      12   -5   19 o    5.205000      0.3241000       5.704000 0.2687000       4.706000      0.5899000      0.9982000      0.6482000
  1 1 1      12   -5   20 o    12.60000      0.2340000       12.54000 0.3552000       12.67000      0.3048000     -0.1351000      0.4681000
  1 1 1      12   -5   21 o    5.331000      0.2122000       5.730000 0.3286000       4.932000      0.2687000      0.7982000      0.4244000
  1 1 1      12   -5   22 o    8.905000      0.2229000       8.684000 0.3399000       9.126000      0.2886000     -0.4419000      0.4459000
  1 1 1      12   -5   23 o    10.68000      0.2386000       10.63000 0.3761000       10.73000      0.2938000     -0.1005000      0.4772000
  1 1 1      12   -5   24 o    10.93000      0.2101000       11.04000 0.3229000       10.82000      0.2688000      0.2206000      0.4201000
  1 1 1      12   -5   25 o    7.237000      0.1902000       6.980000 0.2958000       7.493000      0.2391000     -0.5137000      0.3803000
  1 1 1      12   -5   26 o    2.182000      0.4331000       2.338000 0.6530000       2.027000      0.5691000      0.3110000      0.8662000
  1 1 1      12   -5   27 o    8.421000      0.2902000       7.770000 0.4546000       9.071000      0.3610000      -1.301000      0.5805000
  1 1 1      12   -5   28 o    5.646000      0.3502000       5.822000 0.5532000       5.469000      0.4296000      0.3524000      0.7004000
  1 1 1      12   -5   29 o    1.729000      0.5145000       1.501000 0.7079000       1.956000      0.7469000     -0.4551000       1.029000
  1 1 1      12   -5   30 o    3.734000      0.2854000       3.990000 0.3771000       3.479000      0.4284000      0.5108000      0.5707000
  1 1 1      12   -5   32 o    2.481000      0.4363000       1.921000 0.6743000       3.040000      0.5538000      -1.119000      0.8726000
  1 1 1      12   -5   33 o    3.781000      0.4083000       4.093000 0.5147000       3.469000      0.6338000      0.6247000      0.8165000
  1 1 1      12   -5   34 o    3.648000      0.4852000       4.321000 0.5891000       2.975000      0.7710000       1.346000      0.9703000
  1 1 1      12   -4    0 o    11.48000      0.1976000       11.61000 0.2790000       11.34000      0.2800000      0.2673000      0.3953000
  1 1 1      12   -4    1 o    10.51000      0.1876000       10.62000 0.2644000       10.40000      0.2662000      0.2278000      0.3752000
  1 1 1      12   -4    2 o    9.148000      0.1768000       9.042000 0.2498000       9.253000      0.2503000     -0.2110000      0.3536000
  1 1 1      12   -4    3 o    24.02000      0.3342000       24.34000 0.4781000       23.71000      0.4670000      0.6261000      0.6683000
  1 1 1      12   -4    4 o    4.077000      0.3232000       4.131000 0.4014000       4.022000      0.5067000      0.1098000      0.6464000
  1 1 1      12   -4    5 o    3.560000      0.3550000       2.880000 0.5191000       4.240000      0.4843000      -1.360000      0.7099000
  1 1 1      12   -4    6 o    14.44000      0.2137000       14.29000 0.2999000       14.59000      0.3045000     -0.2991000      0.4274000
  1 1 1      12   -4    7 o   0.9314000      0.2968000      0.9514000 0.4261000      0.9115000      0.4132000      0.3997000E-01  0.5936000
  1 1 1      12   -4    8 o    6.030000      0.1428000       6.035000 0.2026000       6.026000      0.2013000      0.8924000E-02  0.2856000
  1 1 1      12   -4    9 o    10.69000      0.2298000       10.66000 0.3245000       10.71000      0.3256000     -0.5611000E-01  0.4597000
  1 1 1      12   -4   10 o    13.40000      0.2751000       13.73000 0.3941000       13.08000      0.3839000      0.6488000      0.5502000
  1 1 1      12   -4   11 o    4.861000      0.1691000       4.699000 0.2180000       5.023000      0.2587000     -0.3245000      0.3383000
  1 1 1      12   -4   12 o    11.06000      0.2170000       10.60000 0.2460000       11.52000      0.3575000     -0.9224000      0.4340000
  1 1 1      12   -4   13 o    5.726000      0.1845000       5.603000 0.2424000       5.848000      0.2783000     -0.2450000      0.3690000
  1 1 1      12   -4   14 o    2.796000      0.2529000       2.552000 0.3560000       3.039000      0.3594000     -0.4869000      0.5059000
  1 1 1      12   -4   15 o    1.978000      0.3131000       1.710000 0.4403000       2.245000      0.4452000     -0.5357000      0.6261000
  1 1 1      12   -4   16 o    5.507000      0.1297000       5.334000 0.1741000       5.681000      0.1923000     -0.3469000      0.2594000
  1 1 1      12   -4   17 o    7.688000      0.1315000       7.637000 0.1884000       7.739000      0.1834000     -0.1021000      0.2629000
  1 1 1      12   -4   18 o    6.468000      0.2018000       6.211000 0.3585000       6.725000      0.1854000     -0.5138000      0.4036000
  1 1 1      12   -4   19 o    19.61000      0.3323000       19.78000 0.5435000       19.44000      0.3826000      0.3363000      0.6647000
  1 1 1      12   -4   20 o    12.32000      0.2351000       12.61000 0.3752000       12.04000      0.2832000      0.5725000      0.4701000
  1 1 1      12   -4   21 o    1.322000      0.3864000       1.275000 0.5642000       1.370000      0.5281000     -0.9458000E-01  0.7728000
  1 1 1      12   -4   22 o    15.66000      0.2885000       15.90000 0.4594000       15.43000      0.3492000      0.4660000      0.5770000
  1 1 1      12   -4   23 o    7.831000      0.2318000       7.705000 0.3511000       7.957000      0.3029000     -0.2523000      0.4637000
  1 1 1      12   -4   24 o    4.118000      0.2628000       4.690000 0.3874000       3.546000      0.3551000       1.144000      0.5256000
  1 1 1      12   -4   25 o    11.99000      0.1895000       11.92000 0.2751000       12.05000      0.2605000     -0.1321000      0.3789000
  1 1 1      12   -4   26 o    4.127000      0.1915000       3.981000 0.2818000       4.273000      0.2594000     -0.2918000      0.3830000
  1 1 1      12   -4   27 o    2.863000      0.2643000       2.749000 0.3944000       2.976000      0.3519000     -0.2265000      0.5286000
  1 1 1      12   -4   28 o    10.08000      0.1987000       10.08000 0.3131000       10.07000      0.2448000      0.1568000E-01  0.3975000
  1 1 1      12   -4   29 o    6.658000      0.1785000       6.910000 0.2506000       6.406000      0.2544000      0.5047000      0.3571000
  1 1 1      12   -4   30 o    4.781000      0.4275000       4.400000 0.6948000       5.163000      0.4983000     -0.7630000      0.8550000
  1 1 1      12   -4   31 o    4.272000      0.7106000       4.272000 0.7106000                  ?              ?              ?              ?
  1 1 1      12   -4   32 o    3.600000      0.3345000       4.037000 0.4210000       3.164000      0.5198000      0.8728000      0.6689000
  1 1 1      12   -4   33 o    1.526000      0.6371000                  ?       ?   1.526000      0.6371000                  ?              ?
  1 1 1      12   -4   34 o    2.738000      0.4508000       2.687000 0.6635000       2.789000      0.6103000     -0.1016000      0.9015000
  1 1 1      12   -3    0 o    17.74000      0.2607000       17.68000 0.3673000       17.79000      0.3702000     -0.1084000      0.5215000
  1 1 1      12   -3    1 o    3.758000      0.2364000       3.832000 0.3298000       3.684000      0.3389000      0.1486000      0.4729000
  1 1 1      12   -3    2 o    1.362000      0.3712000       1.536000 0.5558000       1.189000      0.4921000      0.3471000      0.7423000
  1 1 1      12   -3    3 o    17.70000      0.5141000       17.70000 0.5141000                  ?              ?              ?              ?
  1 1 1      12   -3    4 o    8.569000      0.2482000       9.032000 0.3397000       8.105000      0.3620000      0.9264000      0.4965000
  1 1 1      12   -3    5 o    12.53000      0.2767000                  ?       ?   12.53000      0.2767000                  ?              ?
  1 1 1      12   -3    6 o    7.147000      0.1542000       7.000000 0.2176000       7.294000      0.2185000     -0.2936000      0.3084000
  1 1 1      12   -3    7 o    9.329000      0.2184000       8.777000 0.3051000       9.882000      0.3125000      -1.105000      0.4367000
  1 1 1      12   -3    8 o    12.34000      0.1862000       12.38000 0.2614000       12.29000      0.2652000      0.8353000E-01  0.3724000
  1 1 1      12   -3    9 o    17.04000      0.2392000       17.00000 0.3363000       17.08000      0.3402000     -0.7934000E-01  0.4784000
  1 1 1      12   -3   10 o    9.197000      0.1510000       9.142000 0.2089000       9.252000      0.2181000     -0.1102000      0.3020000
  1 1 1      12   -3   11 o    6.028000      0.1459000       5.930000 0.1933000       6.126000      0.2186000     -0.1954000      0.2918000
  1 1 1      12   -3   12 o    13.68000      0.2088000       13.50000 0.2795000       13.85000      0.3103000     -0.3518000      0.4176000
  1 1 1      12   -3   13 f    1.913000      0.3585000       1.695000 0.4693000       2.132000      0.5422000     -0.4363000      0.7171000
  1 1 1      12   -3   14 o    3.732000      0.1957000       3.517000 0.2594000       3.946000      0.2931000     -0.4292000      0.3915000
  1 1 1      12   -3   15 o    4.041000      0.1621000       3.800000 0.2114000       4.282000      0.2458000     -0.4821000      0.3242000
  1 1 1      12   -3   16 o    7.191000      0.1213000       7.072000 0.1676000       7.309000      0.1753000     -0.2371000      0.2426000
  1 1 1      12   -3   17 o    6.195000      0.1137000       5.987000 0.1609000       6.402000      0.1608000     -0.4151000      0.2275000
  1 1 1      12   -3   18 o    8.819000      0.1419000       8.873000 0.2045000       8.764000      0.1967000      0.1092000      0.2837000
  1 1 1      12   -3   19 o    17.26000      0.2466000       16.95000 0.3516000       17.56000      0.3459000     -0.6115000      0.4932000
  1 1 1      12   -3   20 o    13.46000      0.2467000       13.82000 0.4003000       13.11000      0.2884000      0.7065000      0.4933000
  1 1 1      12   -3   21 o    6.565000      0.2041000       6.550000 0.3179000       6.580000      0.2560000     -0.3034000E-01  0.4082000
  1 1 1      12   -3   22 o    8.746000      0.2099000       9.021000 0.3306000       8.472000      0.2587000      0.5494000      0.4198000
  1 1 1      12   -3   23 o    4.429000      0.2440000       4.338000 0.3911000       4.519000      0.2918000     -0.1811000      0.4879000
  1 1 1      12   -3   24 o    6.300000      0.1551000       6.492000 0.2323000       6.108000      0.2056000      0.3841000      0.3102000
  1 1 1      12   -3   25 o    3.264000      0.2010000       2.951000 0.3079000       3.576000      0.2585000     -0.6247000      0.4021000
  1 1 1      12   -3   26 f    8.704000      0.1754000       8.913000 0.2786000       8.495000      0.2131000      0.4181000      0.3508000
  1 1 1      12   -3   27 o    6.136000      0.1520000       6.245000 0.2167000       6.026000      0.2132000      0.2188000      0.3040000
  1 1 1      12   -3   28 o    6.380000      0.1604000       6.417000 0.2247000       6.344000      0.2289000      0.7283000E-01  0.3208000
  1 1 1      12   -3   29 o    9.773000      0.1752000       9.717000 0.2517000       9.830000      0.2438000     -0.1125000      0.3504000
  1 1 1      12   -3   30 o    3.010000      0.3213000       2.928000 0.4554000       3.092000      0.4535000     -0.1644000      0.6427000
  1 1 1      12   -3   31 o    3.269000      0.3302000       3.841000 0.3327000       2.697000      0.5703000       1.145000      0.6603000
  1 1 1      12   -3   32 o    6.569000      0.3169000       6.538000 0.4874000       6.600000      0.4051000     -0.6192000E-01  0.6337000
  1 1 1      12   -3   33 o    1.578000      0.4587000       1.229000 0.5287000       1.926000      0.7498000     -0.6962000      0.9175000
  1 1 1      12   -3   34 o    2.584000      0.4233000       3.106000 0.5320000       2.062000      0.6586000       1.044000      0.8466000
  1 1 1      12   -3   35 o    1.934000      0.5397000       1.510000 0.7003000       2.358000      0.8215000     -0.8485000       1.079000
  1 1 1      12   -2    0 o    7.913000      0.1723000       7.601000 0.2514000       8.225000      0.2356000     -0.6238000      0.3445000
  1 1 1      12   -2    1 o    10.28000      0.2546000       9.903000 0.3576000       10.65000      0.3625000     -0.7448000      0.5092000
  1 1 1      12   -2    2 o    5.548000      0.2439000       5.292000 0.3507000       5.805000      0.3390000     -0.5126000      0.4878000
  1 1 1      12   -2    3 o    7.393000      0.2371000       7.393000 0.2371000                  ?              ?              ?              ?
  1 1 1      12   -2    4 f    13.66000      0.2093000       13.62000 0.2949000       13.70000      0.2971000     -0.8560000E-01  0.4186000
  1 1 1      12   -2    5 o    8.317000      0.3024000                  ?       ?   8.317000      0.3024000                  ?              ?
  1 1 1      12   -2    6 o    15.21000      0.3105000       14.69000 0.4294000       15.73000      0.4487000      -1.042000      0.6210000
  1 1 1      12   -2    7 f    12.61000      0.1916000       12.77000 0.2729000       12.45000      0.2689000      0.3160000      0.3832000
  1 1 1      12   -2    8 o    5.658000      0.1458000       5.748000 0.2014000       5.567000      0.2107000      0.1810000      0.2915000
  1 1 1      12   -2    9 o    10.99000      0.1691000       10.85000 0.2351000       11.12000      0.2430000     -0.2682000      0.3381000
  1 1 1      12   -2   10 o    8.334000      0.1397000       8.283000 0.1943000       8.385000      0.2007000     -0.1016000      0.2793000
  1 1 1      12   -2   11 o    5.143000      0.1297000       5.398000 0.1728000       4.887000      0.1936000      0.5110000      0.2595000
  1 1 1      12   -2   12 f    3.803000      0.1686000       3.716000 0.2068000       3.891000      0.2663000     -0.1757000      0.3372000
  1 1 1      12   -2   13 o    7.911000      0.1702000       7.968000 0.2116000       7.855000      0.2667000      0.1131000      0.3405000
  1 1 1      12   -2   14 o    8.665000      0.1848000       8.726000 0.2414000       8.604000      0.2800000      0.1222000      0.3697000
  1 1 1      12   -2   15 o    3.782000      0.1606000       4.049000 0.1882000       3.515000      0.2602000      0.5339000      0.3212000
  1 1 1      12   -2   16 o    12.97000      0.1803000       12.74000 0.2497000       13.20000      0.2601000     -0.4534000      0.3606000
  1 1 1      12   -2   17 o    10.30000      0.1484000       10.20000 0.2088000       10.39000      0.2109000     -0.1840000      0.2967000
  1 1 1      12   -2   18 o    3.491000      0.1435000       3.729000 0.2183000       3.252000      0.1863000      0.4773000      0.2870000
  1 1 1      12   -2   19 o    2.646000      0.2408000       2.712000 0.3926000       2.579000      0.2791000      0.1324000      0.4817000
  1 1 1      12   -2   20 o    11.50000      0.2013000       11.48000 0.3102000       11.52000      0.2566000     -0.3609000E-01  0.4026000
  1 1 1      12   -2   21 o    3.363000      0.2705000       3.568000 0.4080000       3.158000      0.3554000      0.4100000      0.5411000
  1 1 1      12   -2   22 f    3.779000      0.2792000       3.350000 0.4750000       4.209000      0.2938000     -0.8593000      0.5585000
  1 1 1      12   -2   23 o    5.522000      0.1626000       5.392000 0.2506000       5.652000      0.2073000     -0.2595000      0.3252000
  1 1 1      12   -2   24 o    5.803000      0.1356000       5.763000 0.1934000       5.844000      0.1901000     -0.8050000E-01  0.2712000
  1 1 1      12   -2   25 o    6.490000      0.1375000       6.263000 0.1989000       6.717000      0.1898000     -0.4544000      0.2749000
  1 1 1      12   -2   26 f    15.20000      0.2178000       15.01000 0.3080000       15.39000      0.3079000     -0.3767000      0.4355000
  1 1 1      12   -2   27 o    9.577000      0.1611000       9.436000 0.2272000       9.719000      0.2285000     -0.2831000      0.3222000
  1 1 1      12   -2   28 o    2.261000      0.3304000       2.130000 0.4497000       2.392000      0.4842000     -0.2622000      0.6608000
  1 1 1      12   -2   29 o    1.788000      0.3838000       2.008000 0.5089000       1.568000      0.5747000      0.4404000      0.7676000
  1 1 1      12   -2   30 o    5.032000      0.3105000       4.755000 0.5477000       5.309000      0.2926000     -0.5538000      0.6210000
  1 1 1      12   -2   31 o    9.166000      0.1834000       9.518000 0.2629000       8.814000      0.2559000      0.7036000      0.3669000
  1 1 1      12   -2   32 o    8.515000      0.1871000       8.806000 0.2602000       8.223000      0.2689000      0.5828000      0.3741000
  1 1 1      12   -2   33 o    3.762000      0.4420000       3.794000 0.6752000       3.731000      0.5707000      0.6341000E-01  0.8841000
  1 1 1      12   -2   34 o    1.597000      0.4395000       1.595000 0.6313000       1.599000      0.6115000     -0.4352000E-02  0.8789000
  1 1 1      12   -2   35 o    2.052000      0.4576000       2.063000 0.6580000       2.041000      0.6360000      0.2126000E-01  0.9152000
  1 1 1      12   -1    0 o    15.59000      0.3294000       15.72000 0.4701000       15.47000      0.4614000      0.2467000      0.6587000
  1 1 1      12   -1    1 o    25.37000      0.4967000       25.47000 0.7059000       25.26000      0.6989000      0.2087000      0.9934000
  1 1 1      12   -1    2 o    7.683000      0.1972000       7.770000 0.3229000       7.596000      0.2264000      0.1746000      0.3944000
  1 1 1      12   -1    3 o    13.53000      0.2068000       13.58000 0.2947000       13.47000      0.2902000      0.1078000      0.4136000
  1 1 1      12   -1    4 o    15.04000      0.3122000       15.16000 0.4476000       14.91000      0.4353000      0.2490000      0.6244000
  1 1 1      12   -1    5 o    12.34000      0.1905000       12.59000 0.2753000       12.08000      0.2633000      0.5027000      0.3809000
  1 1 1      12   -1    6 f    5.440000      0.1516000       5.437000 0.2221000       5.444000      0.2063000     -0.6137000E-02  0.3032000
  1 1 1      12   -1    7 o    11.26000      0.1766000       11.36000 0.2520000       11.16000      0.2476000      0.1979000      0.3533000
  1 1 1      12   -1    8 o    7.483000      0.1429000       7.553000 0.2001000       7.414000      0.2041000      0.1390000      0.2858000
  1 1 1      12   -1    9 o    7.165000      0.1376000       7.227000 0.1900000       7.102000      0.1991000      0.1248000      0.2752000
  1 1 1      12   -1   10 o    5.284000      0.1278000       5.221000 0.1752000       5.346000      0.1862000     -0.1248000      0.2557000
  1 1 1      12   -1   11 o    11.29000      0.1674000       11.42000 0.2357000       11.15000      0.2377000      0.2739000      0.3347000
  1 1 1      12   -1   12 f    4.530000      0.1286000       4.480000 0.1670000       4.579000      0.1956000     -0.9965000E-01  0.2572000
  1 1 1      12   -1   13 f    13.63000      0.2022000       13.78000 0.2776000       13.49000      0.2940000      0.2960000      0.4044000
  1 1 1      12   -1   14 o    14.08000      0.2546000       13.32000 0.2899000       14.85000      0.4186000      -1.532000      0.5092000
  1 1 1      12   -1   15 o    2.197000      0.2047000       2.041000 0.2744000       2.353000      0.3040000     -0.3111000      0.4095000
  1 1 1      12   -1   16 o    7.881000      0.1199000       7.793000 0.1672000       7.968000      0.1718000     -0.1751000      0.2397000
  1 1 1      12   -1   17 o    4.872000      0.1029000       4.780000 0.1437000       4.964000      0.1474000     -0.1844000      0.2059000
  1 1 1      12   -1   18 o    10.79000      0.1927000       10.94000 0.3203000       10.64000      0.2142000      0.2969000      0.3853000
  1 1 1      12   -1   19 o    3.348000      0.1457000       3.170000 0.2211000       3.525000      0.1899000     -0.3551000      0.2914000
  1 1 1      12   -1   20 o    7.665000      0.1759000       7.982000 0.2892000       7.348000      0.2002000      0.6342000      0.3517000
  1 1 1      12   -1   21 o    7.314000      0.1820000       7.405000 0.2800000       7.223000      0.2326000      0.1822000      0.3640000
  1 1 1      12   -1   22 o    2.411000      0.3236000       2.338000 0.5208000       2.485000      0.3843000     -0.1473000      0.6472000
  1 1 1      12   -1   23 o    4.476000      0.1387000       4.503000 0.2053000       4.448000      0.1865000      0.5490000E-01  0.2774000
  1 1 1      12   -1   24 o    6.919000      0.1286000       6.713000 0.1842000       7.126000      0.1796000     -0.4138000      0.2572000
  1 1 1      12   -1   25 o    10.28000      0.1592000       10.24000 0.2273000       10.31000      0.2230000     -0.7015000E-01  0.3184000
  1 1 1      12   -1   26 o    8.261000      0.1454000       8.149000 0.2071000       8.373000      0.2042000     -0.2242000      0.2908000
  1 1 1      12   -1   27 f    13.63000      0.2005000       13.68000 0.2868000       13.58000      0.2802000      0.1003000      0.4010000
  1 1 1      12   -1   28 f    2.311000      0.3138000       2.081000 0.4371000       2.541000      0.4504000     -0.4600000      0.6276000
  1 1 1      12   -1   29 o    2.895000      0.2787000       2.893000 0.3703000       2.898000      0.4165000     -0.4293000E-02  0.5573000
  1 1 1      12   -1   30 o    4.797000      0.2022000       4.962000 0.2653000       4.633000      0.3052000      0.3287000      0.4044000
  1 1 1      12   -1   31 o    4.505000      0.2289000       4.554000 0.3066000       4.457000      0.3400000      0.9711000E-01  0.4578000
  1 1 1      12   -1   32 o    3.113000      0.4425000       3.113000 0.4425000                  ?              ?              ?              ?
  1 1 1      12   -1   33 o    1.922000      0.5229000       1.849000 0.7632000       1.995000      0.7152000     -0.1460000       1.046000
  1 1 1      12   -1   34 o    1.509000      0.4583000       1.277000 0.6056000       1.741000      0.6880000     -0.4649000      0.9166000
  1 1 1      12   -1   35 o    1.506000      0.4259000       1.287000 0.5707000       1.724000      0.6323000     -0.4364000      0.8518000
  1 1 1      12    0    0 o    17.46000      0.3584000       17.64000 0.5120000       17.29000      0.5017000      0.3461000      0.7168000
  1 1 1      12    0    1 o    22.45000      0.3129000       22.40000 0.4412000       22.51000      0.4438000     -0.1091000      0.6258000
  1 1 1      12    0    2 o    10.34000      0.1741000       10.27000 0.2452000       10.41000      0.2473000     -0.1361000      0.3482000
  1 1 1      12    0    3 o    12.16000      0.2649000       12.12000 0.3720000       12.21000      0.3772000     -0.9027000E-01  0.5297000
  1 1 1      12    0    4 o    6.432000      0.1540000       6.486000 0.2192000       6.378000      0.2162000      0.1077000      0.3079000
  1 1 1      12    0    5 f    4.191000      0.1677000       4.379000 0.2404000       4.004000      0.2339000      0.3752000      0.3354000
  1 1 1      12    0    6 o    4.856000      0.1911000       5.031000 0.3157000       4.681000      0.2153000      0.3500000      0.3822000
  1 1 1      12    0    7 o    4.983000      0.1440000       5.213000 0.2058000       4.753000      0.2016000      0.4600000      0.2881000
  1 1 1      12    0    8 o    6.858000      0.1354000       6.587000 0.1931000       7.130000      0.1899000     -0.5428000      0.2708000
  1 1 1      12    0    9 o    12.10000      0.1778000       11.96000 0.2504000       12.23000      0.2523000     -0.2621000      0.3555000
  1 1 1      12    0   10 o    13.85000      0.1968000       13.85000 0.2786000       13.86000      0.2780000     -0.1151000E-01  0.3935000
  1 1 1      12    0   11 o    8.701000      0.1364000       8.638000 0.1932000       8.765000      0.1925000     -0.1274000      0.2727000
  1 1 1      12    0   12 o    6.738000      0.1144000       6.585000 0.1620000       6.891000      0.1617000     -0.3054000      0.2289000
  1 1 1      12    0   13 o    7.772000      0.1634000       7.934000 0.1781000       7.610000      0.2739000      0.3241000      0.3267000
  1 1 1      12    0   14 o    3.426000      0.1901000       3.387000 0.2353000       3.464000      0.2986000     -0.7712000E-01  0.3801000
  1 1 1      12    0   15 o    9.465000      0.1653000       9.325000 0.2626000       9.605000      0.2008000     -0.2800000      0.3306000
  1 1 1      12    0   16 o    6.301000      0.1379000       6.296000 0.1977000       6.307000      0.1922000     -0.1049000E-01  0.2757000
  1 1 1      12    0   22 o    12.70000      0.2239000       12.72000 0.3704000       12.69000      0.2517000      0.3751000E-01  0.4478000
  1 1 1      12    0   23 o    3.153000      0.1270000       2.939000 0.1836000       3.367000      0.1756000     -0.4279000      0.2541000
  1 1 1      12    0   24 o    7.048000      0.1422000       7.169000 0.2234000       6.926000      0.1762000      0.2429000      0.2845000
  1 1 1      12    0   25 o    4.353000      0.1365000       4.292000 0.1853000       4.414000      0.2005000     -0.1227000      0.2730000
  1 1 1      12    0   26 o    8.259000      0.1443000       8.284000 0.2030000       8.233000      0.2051000      0.5090000E-01  0.2886000
  1 1 1      12    0   27 o    11.17000      0.1728000       11.08000 0.2426000       11.25000      0.2460000     -0.1705000      0.3455000
  1 1 1      12    0   28 o    5.162000      0.2321000       4.825000 0.3973000       5.499000      0.2402000     -0.6737000      0.4643000
  1 1 1      12    0   29 f    4.981000      0.1820000       5.004000 0.2465000       4.959000      0.2677000      0.4529000E-01  0.3639000
  1 1 1      12    0   30 o    3.265000      0.2620000       3.298000 0.3615000       3.233000      0.3792000      0.6528000E-01  0.5239000
  1 1 1      12    0   31 o    2.024000      0.4072000       2.303000 0.5370000       1.746000      0.6122000      0.5574000      0.8143000
  1 1 1      12    0   32 o    3.973000      0.3584000       3.973000 0.3584000                  ?              ?              ?              ?
  1 1 1      12    0   33 o    2.272000      0.4145000       2.754000 0.5423000       1.790000      0.6270000      0.9639000      0.8290000
  1 1 1      12    0   34 o    2.656000      0.6864000                  ?       ?   2.656000      0.6864000                  ?              ?
  1 1 1      12    0   35 o    1.403000      0.4220000       1.320000 0.5817000       1.486000      0.6115000     -0.1664000      0.8439000
  1 1 1      12    1    0 o    13.61000      0.2092000       13.78000 0.2983000       13.44000      0.2934000      0.3376000      0.4184000
  1 1 1      12    1    1 o    12.38000      0.1942000       12.19000 0.2714000       12.58000      0.2778000     -0.3895000      0.3884000
  1 1 1      12    1    2 o    15.29000      0.3166000       15.34000 0.4475000       15.25000      0.4480000      0.8502000E-01  0.6332000
  1 1 1      12    1    3 f    1.132000      0.3255000       1.172000 0.4632000       1.092000      0.4573000      0.8007000E-01  0.6509000
  1 1 1      12    1    4 o    14.04000      0.2933000       14.04000 0.2933000                  ?              ?              ?              ?
  1 1 1      12    1    5 o    9.009000      0.1548000       9.069000 0.2185000       8.949000      0.2194000      0.1198000      0.3096000
  1 1 1      12    1    6 o    4.549000      0.2063000                  ?       ?   4.549000      0.2063000                  ?              ?
  1 1 1      12    1    7 o    19.19000      0.3277000       19.29000 0.5377000       19.10000      0.3748000      0.1893000      0.6554000
  1 1 1      12    1    8 o    5.380000      0.1645000       5.461000 0.2699000       5.298000      0.1880000      0.1637000      0.3289000
  1 1 1      12    1    9 o    3.921000      0.1419000       3.817000 0.2114000       4.025000      0.1893000     -0.2075000      0.2838000
  1 1 1      12    1   10 o    6.668000      0.1246000       6.832000 0.1793000       6.505000      0.1730000      0.3275000      0.2492000
  1 1 1      12    1   11 o    1.760000      0.2295000       1.912000 0.3073000       1.607000      0.3409000      0.3053000      0.4590000
  1 1 1      12    1   12 o    9.699000      0.1425000       9.550000 0.2004000       9.848000      0.2028000     -0.2988000      0.2851000
  1 1 1      12    1   13 o    6.163000      0.1228000       6.366000 0.1971000       5.961000      0.1465000      0.4048000      0.2456000
  1 1 1      12    1   14 o    10.96000      0.2344000       11.00000 0.3509000       10.93000      0.3109000      0.7177000E-01  0.4688000
  1 1 1      12    1   23 o    9.663000      0.1749000       9.471000 0.2851000       9.855000      0.2026000     -0.3836000      0.3498000
  1 1 1      12    1   24 o    2.692000      0.1584000       2.727000 0.2096000       2.658000      0.2375000      0.6902000E-01  0.3167000
  1 1 1      12    1   25 o    5.241000      0.1256000       5.128000 0.1718000       5.354000      0.1832000     -0.2263000      0.2512000
  1 1 1      12    1   26 o    7.718000      0.1398000       7.538000 0.1946000       7.899000      0.2009000     -0.3604000      0.2797000
  1 1 1      12    1   27 o    5.436000      0.1495000       5.226000 0.2088000       5.646000      0.2140000     -0.4198000      0.2990000
  1 1 1      12    1   28 o    10.91000      0.1733000       10.94000 0.2437000       10.89000      0.2464000      0.5097000E-01  0.3465000
  1 1 1      12    1   29 o    9.684000      0.1692000       9.889000 0.2380000       9.479000      0.2405000      0.4100000      0.3383000
  1 1 1      12    1   30 o    2.507000      0.3382000       2.384000 0.4905000       2.629000      0.4658000     -0.2449000      0.6765000
  1 1 1      12    1   31 o    1.150000      0.3599000       1.344000 0.5576000      0.9565000      0.4553000      0.3871000      0.7199000
  1 1 1      12    1   32 o    4.374000      0.2440000       4.852000 0.3209000       3.895000      0.3678000      0.9567000      0.4881000
  1 1 1      12    1   33 f    3.264000      0.3225000       3.584000 0.4139000       2.945000      0.4946000      0.6390000      0.6450000
  1 1 1      12    1   34 o    3.425000      0.5204000                  ?       ?   3.425000      0.5204000                  ?              ?
  1 1 1      12    1   35 o    1.098000      0.3626000       1.211000 0.5516000      0.9843000      0.4707000      0.2265000      0.7251000
  1 1 1      12    2    0 o    11.71000      0.1897000       11.82000 0.2706000       11.60000      0.2660000      0.2280000      0.3794000
  1 1 1      12    2    1 o    13.46000      0.2889000       13.46000 0.4083000       13.45000      0.4089000      0.7448000E-02  0.5778000
  1 1 1      12    2    2 o    5.811000      0.2134000       5.714000 0.2971000       5.907000      0.3065000     -0.1931000      0.4269000
  1 1 1      12    2    3 o    8.287000      0.1561000       8.289000 0.2211000       8.285000      0.2203000      0.3248000E-02  0.3122000
  1 1 1      12    2    4 o    6.298000      0.2041000       6.298000 0.2041000                  ?              ?              ?              ?
  1 1 1      12    2    5 o    15.19000      0.2190000       15.13000 0.3088000       15.25000      0.3106000     -0.1176000      0.4379000
  1 1 1      12    2    6 o    20.29000      0.3971000                  ?       ?   20.29000      0.3971000                  ?              ?
  1 1 1      12    2    7 o    8.191000      0.1430000       8.323000 0.2038000       8.059000      0.2007000      0.2640000      0.2860000
  1 1 1      12    2    8 o    20.72000      0.2844000       20.76000 0.4029000       20.68000      0.4015000      0.7446000E-01  0.5688000
  1 1 1      12    2    9 o    21.44000      0.2928000       21.54000 0.4159000       21.35000      0.4122000      0.1926000      0.5856000
  1 1 1      12    2   10 o    7.685000      0.1299000       7.602000 0.1807000       7.769000      0.1867000     -0.1673000      0.2598000
  1 1 1      12    2   11 o    5.195000      0.1167000       5.460000 0.1677000       4.929000      0.1623000      0.5310000      0.2334000
  1 1 1      12    2   12 o    5.665000      0.1509000                  ?       ?   5.665000      0.1509000                  ?              ?
  1 1 1      12    2   13 o    2.978000      0.1179000       3.016000 0.1833000       2.941000      0.1485000      0.7425000E-01  0.2359000
  1 1 1      12    2   23 o    10.00000      0.2890000       10.00000 0.2890000                  ?              ?              ?              ?
  1 1 1      12    2   24 o    4.008000      0.1757000       4.221000 0.1710000       3.794000      0.3070000      0.4269000      0.3514000
  1 1 1      12    2   25 o    5.779000      0.1371000       5.985000 0.1747000       5.574000      0.2115000      0.4112000      0.2743000
  1 1 1      12    2   26 o    3.427000      0.2051000       3.390000 0.2590000       3.465000      0.3182000     -0.7515000E-01  0.4103000
  1 1 1      12    2   27 o    6.946000      0.1558000       6.638000 0.2017000       7.254000      0.2375000     -0.6162000      0.3116000
  1 1 1      12    2   28 o    4.532000      0.2002000       4.312000 0.2579000       4.752000      0.3063000     -0.4400000      0.4004000
  1 1 1      12    2   29 o    3.431000      0.2794000       3.542000 0.3225000       3.320000      0.4564000      0.2221000      0.5589000
  1 1 1      12    2   30 o    4.401000      0.2562000       4.911000 0.2742000       3.891000      0.4330000       1.021000      0.5125000
  1 1 1      12    2   31 o    3.538000      0.3231000       3.248000 0.4124000       3.829000      0.4974000     -0.5804000      0.6462000
  1 1 1      12    2   32 o    3.178000      0.3980000       3.639000 0.3930000       2.718000      0.6923000      0.9206000      0.7960000
  1 1 1      12    2   33 o    3.546000      0.3517000       4.370000 0.3088000       2.722000      0.6319000       1.648000      0.7033000
  1 1 1      12    2   34 o    1.562000      0.4833000       1.661000 0.6852000       1.464000      0.6817000      0.1962000      0.9666000
  1 1 1      12    2   35 o    2.632000      0.4293000       3.164000 0.5071000       2.101000      0.6927000       1.063000      0.8585000
  1 1 1      12    2   36 o    4.384000      0.3009000       5.172000 0.3406000       3.595000      0.4962000       1.577000      0.6018000
  1 1 1      12    3    0 o    20.38000      0.2876000       20.31000 0.4053000       20.45000      0.4082000     -0.1456000      0.5752000
  1 1 1      12    3    1 o    11.35000      0.2582000       11.42000 0.3670000       11.27000      0.3633000      0.1541000      0.5164000
  1 1 1      12    3    2 o    9.648000      0.1655000       9.637000 0.2332000       9.659000      0.2348000     -0.2172000E-01  0.3309000
  1 1 1      12    3    3 o    1.778000      0.3246000       2.045000 0.4210000       1.510000      0.4941000      0.5347000      0.6492000
  1 1 1      12    3    4 o    7.549000      0.1512000       7.559000 0.2130000       7.540000      0.2146000      0.1828000E-01  0.3023000
  1 1 1      12    3    5 o    10.57000      0.1684000       10.59000 0.2375000       10.55000      0.2388000      0.3377000E-01  0.3368000
  1 1 1      12    3    6 o    14.49000      0.2096000       14.56000 0.2980000       14.42000      0.2947000      0.1416000      0.4191000
  1 1 1      12    3    7 o    7.543000      0.1387000       7.426000 0.1954000       7.660000      0.1970000     -0.2340000      0.2775000
  1 1 1      12    3    8 o    14.13000      0.2017000       14.21000 0.2872000       14.05000      0.2835000      0.1669000      0.4035000
  1 1 1      12    3    9 o    15.85000      0.2215000       15.89000 0.3137000       15.81000      0.3127000      0.7886000E-01  0.4429000
  1 1 1      12    3   10 o    7.155000      0.1255000       7.100000 0.1761000       7.210000      0.1787000     -0.1103000      0.2509000
  1 1 1      12    3   11 o    8.316000      0.1305000       8.385000 0.1850000       8.248000      0.1842000      0.1370000      0.2611000
  1 1 1      12    3   12 o    1.945000      0.2016000       2.006000 0.2974000       1.885000      0.2723000      0.1212000      0.4032000
  1 1 1      12    3   23 o    13.57000      0.2306000       13.60000 0.3745000       13.54000      0.2692000      0.5994000E-01  0.4612000
  1 1 1      12    3   24 o    8.660000      0.1393000       8.812000 0.1942000       8.508000      0.1999000      0.3041000      0.2787000
  1 1 1      12    3   25 o    10.96000      0.1664000       10.94000 0.2306000       10.99000      0.2399000     -0.5633000E-01  0.3327000
  1 1 1      12    3   26 o    8.132000      0.1504000       8.230000 0.2030000       8.034000      0.2221000      0.1962000      0.3009000
  1 1 1      12    3   27 o    6.368000      0.1560000       6.001000 0.2043000       6.735000      0.2357000     -0.7349000      0.3120000
  1 1 1      12    3   28 o    7.577000      0.1653000       7.766000 0.2179000       7.387000      0.2486000      0.3780000      0.3306000
  1 1 1      12    3   29 o    4.400000      0.2235000       4.610000 0.2619000       4.190000      0.3623000      0.4200000      0.4471000
  1 1 1      12    3   30 o    3.484000      0.3016000       3.477000 0.3705000       3.490000      0.4759000     -0.1373000E-01  0.6031000
  1 1 1      12    3   31 o    4.982000      0.2431000       5.118000 0.2948000       4.847000      0.3866000      0.2702000      0.4862000
  1 1 1      12    3   32 o    2.010000      0.4691000       2.199000 0.6271000       1.820000      0.6979000      0.3797000      0.9383000
  1 1 1      12    3   33 o    5.254000      0.3412000       5.533000 0.4061000       4.975000      0.5485000      0.5582000      0.6825000
  1 1 1      12    3   34 o    1.848000      0.4651000       1.962000 0.6406000       1.734000      0.6743000      0.2279000      0.9301000
  1 1 1      12    3   35 o    4.149000      0.3044000       4.533000 0.3943000       3.765000      0.4639000      0.7677000      0.6088000
  1 1 1      12    3   36 o    3.945000      0.4677000       4.936000 0.5502000       2.954000      0.7565000       1.983000      0.9354000
  1 1 1      12    4    0 o    13.66000      0.2086000       13.73000 0.2956000       13.59000      0.2944000      0.1389000      0.4171000
  1 1 1      12    4    1 o    7.077000      0.2202000       6.909000 0.3129000       7.246000      0.3100000     -0.3371000      0.4404000
  1 1 1      12    4    2 o   0.9427000      0.3029000       1.011000 0.4468000      0.8743000      0.4091000      0.1368000      0.6058000
  1 1 1      12    4    3 o    4.267000      0.1742000       4.149000 0.2444000       4.385000      0.2483000     -0.2364000      0.3484000
  1 1 1      12    4    4 o    6.654000      0.1495000       6.639000 0.2076000       6.668000      0.2151000     -0.2927000E-01  0.2990000
  1 1 1      12    4    5 o    3.239000      0.1969000       3.177000 0.2795000       3.301000      0.2773000     -0.1239000      0.3937000
  1 1 1      12    4    6 o    2.706000      0.2278000       3.093000 0.2658000       2.319000      0.3701000      0.7746000      0.4556000
  1 1 1      12    4    7 o    8.328000      0.1454000       8.232000 0.2046000       8.425000      0.2065000     -0.1928000      0.2907000
  1 1 1      12    4    8 o    5.542000      0.1330000       5.594000 0.1860000       5.489000      0.1902000      0.1052000      0.2660000
  1 1 1      12    4    9 o    10.00000      0.1541000       9.870000 0.2155000       10.13000      0.2203000     -0.2642000      0.3082000
  1 1 1      12    4   10 o    3.544000      0.1416000       3.484000 0.1992000       3.605000      0.2012000     -0.1210000      0.2832000
  1 1 1      12    4   11 f    8.974000      0.1382000       9.097000 0.1968000       8.852000      0.1942000      0.2451000      0.2765000
  1 1 1      12    4   12 o    1.053000      0.2810000       1.114000 0.4338000      0.9922000      0.3572000      0.1214000      0.5619000
  1 1 1      12    4   13 o    9.191000      0.1631000       8.961000 0.2636000       9.422000      0.1922000     -0.4608000      0.3262000
  1 1 1      12    4   21 o    6.467000      0.2848000       5.920000 0.5069000       7.014000      0.2600000      -1.095000      0.5697000
  1 1 1      12    4   22 o    12.39000      0.2171000       12.62000 0.3573000       12.16000      0.2466000      0.4663000      0.4342000
  1 1 1      12    4   23 o    4.292000      0.1312000       4.504000 0.1749000       4.080000      0.1955000      0.4242000      0.2623000
  1 1 1      12    4   24 o    6.767000      0.1303000       6.938000 0.1798000       6.597000      0.1887000      0.3411000      0.2606000
  1 1 1      12    4   25 o    9.037000      0.1513000       8.955000 0.2075000       9.119000      0.2204000     -0.1638000      0.3027000
  1 1 1      12    4   26 o    6.357000      0.1481000       6.475000 0.1970000       6.239000      0.2212000      0.2366000      0.2962000
  1 1 1      12    4   27 o    4.680000      0.1757000       4.658000 0.2292000       4.701000      0.2664000     -0.4306000E-01  0.3514000
  1 1 1      12    4   28 o    7.728000      0.1645000       7.743000 0.2226000       7.713000      0.2422000      0.3006000E-01  0.3290000
  1 1 1      12    4   29 o    3.475000      0.2714000       3.548000 0.3409000       3.402000      0.4224000      0.1454000      0.5428000
  1 1 1      12    4   30 o    3.169000      0.3280000       3.098000 0.4104000       3.240000      0.5117000     -0.1417000      0.6559000
  1 1 1      12    4   31 o    4.088000      0.2808000       4.074000 0.3471000       4.103000      0.4416000     -0.2940000E-01  0.5617000
  1 1 1      12    4   32 o    4.763000      0.3268000       4.597000 0.4073000       4.929000      0.5112000     -0.3322000      0.6536000
  1 1 1      12    4   33 o    6.680000      0.3622000       6.680000 0.3622000                  ?              ?              ?              ?
  1 1 1      12    4   34 o    1.483000      0.4442000       1.493000 0.6137000       1.473000      0.6425000      0.2029000E-01  0.8885000
  1 1 1      12    4   35 o    3.160000      0.3797000       3.742000 0.3878000       2.578000      0.6529000       1.165000      0.7594000
  1 1 1      12    4   36 o    3.550000      0.5161000       4.114000 0.6580000       2.987000      0.7953000       1.128000       1.032000
  1 1 1      12    5    0 o    23.21000      0.3229000       23.03000 0.4534000       23.39000      0.4599000     -0.3534000      0.6458000
  1 1 1      12    5    1 o    13.21000      0.2873000       13.07000 0.4018000       13.35000      0.4107000     -0.2761000      0.5745000
  1 1 1      12    5    2 o    15.84000      0.2301000       15.66000 0.3224000       16.02000      0.3284000     -0.3567000      0.4602000
  1 1 1      12    5    3 o    8.448000      0.1586000       8.144000 0.2209000       8.752000      0.2278000     -0.6078000      0.3173000
  1 1 1      12    5    4 o    17.44000      0.2476000       17.20000 0.3456000       17.68000      0.3548000     -0.4722000      0.4953000
  1 1 1      12    5    5 o    13.80000      0.2027000       13.86000 0.2891000       13.75000      0.2843000      0.1047000      0.4055000
  1 1 1      12    5    6 o    14.74000      0.2132000       14.77000 0.3022000       14.72000      0.3008000      0.4706000E-01  0.4264000
  1 1 1      12    5    7 o    11.68000      0.2512000                  ?       ?   11.68000      0.2512000                  ?              ?
  1 1 1      12    5    8 o    20.80000      0.2856000       20.85000 0.4050000       20.74000      0.4028000      0.1040000      0.5712000
  1 1 1      12    5    9 o    10.74000      0.1625000       10.68000 0.2288000       10.80000      0.2309000     -0.1199000      0.3251000
  1 1 1      12    5   10 o    9.010000      0.1434000       9.025000 0.2015000       8.995000      0.2041000      0.2975000E-01  0.2868000
  1 1 1      12    5   11 o    9.554000      0.1446000       9.616000 0.2055000       9.491000      0.2035000      0.1258000      0.2892000
  1 1 1      12    5   12 o    3.307000      0.1223000       3.085000 0.1839000       3.530000      0.1613000     -0.4445000      0.2446000
  1 1 1      12    5   13 o    8.005000      0.1533000       7.955000 0.2524000       8.054000      0.1742000     -0.9853000E-01  0.3066000
  1 1 1      12    5   14 o    1.343000      0.2736000       1.816000 0.3742000      0.8705000      0.3994000      0.9457000      0.5473000
  1 1 1      12    5   15 o    9.868000      0.1768000       10.20000 0.2904000       9.533000      0.2016000      0.6712000      0.3535000
  1 1 1      12    5   16 o    3.931000      0.1134000       4.041000 0.1769000       3.821000      0.1419000      0.2202000      0.2267000
  1 1 1      12    5   17 o    5.581000      0.1357000       5.528000 0.1773000       5.634000      0.2054000     -0.1057000      0.2713000
  1 1 1      12    5   18 o    5.628000      0.1113000       5.607000 0.1720000       5.649000      0.1413000     -0.4152000E-01  0.2226000
  1 1 1      12    5   19 o    6.320000      0.1322000       6.212000 0.2139000       6.428000      0.1555000     -0.2154000      0.2645000
  1 1 1      12    5   20 o    5.175000      0.5223000       5.463000 1.023000       4.886000      0.2097000      0.5769000       1.045000
  1 1 1      12    5   21 o    2.467000      0.2932000       2.418000 0.4113000       2.516000      0.4181000     -0.9814000E-01  0.5864000
  1 1 1      12    5   22 o    16.08000      0.2284000       15.96000 0.3229000       16.21000      0.3231000     -0.2590000      0.4568000
  1 1 1      12    5   23 o    2.347000      0.2722000       2.061000 0.4332000       2.632000      0.3296000     -0.5713000      0.5443000
  1 1 1      12    5   24 o    12.75000      0.1869000       13.01000 0.2665000       12.49000      0.2621000      0.5162000      0.3738000
  1 1 1      12    5   25 o    3.621000      0.1839000       3.953000 0.2273000       3.288000      0.2892000      0.6655000      0.3678000
  1 1 1      12    5   26 o    8.074000      0.1505000       8.019000 0.2048000       8.128000      0.2206000     -0.1088000      0.3010000
  1 1 1      12    5   27 o    5.917000      0.1621000       5.869000 0.2127000       5.965000      0.2447000     -0.9633000E-01  0.3243000
  1 1 1      12    5   28 f    2.207000      0.3412000       1.605000 0.5290000       2.810000      0.4309000      -1.204000      0.6823000
  1 1 1      12    5   29 o    11.85000      0.1948000       11.94000 0.2694000       11.77000      0.2816000      0.1722000      0.3897000
  1 1 1      12    5   30 o    2.800000      0.3599000       3.102000 0.3994000       2.497000      0.5988000      0.6048000      0.7198000
  1 1 1      12    5   31 o    10.63000      0.2571000       10.96000 0.3578000       10.30000      0.3692000      0.6587000      0.5141000
  1 1 1      12    5   32 o    1.773000      0.4958000       1.534000 0.6423000       2.012000      0.7555000     -0.4780000      0.9916000
  1 1 1      12    5   33 o    1.375000      0.4271000       1.466000 0.6074000       1.285000      0.6005000      0.1809000      0.8542000
  1 1 1      12    5   34 o    3.746000      0.3507000       4.239000 0.3985000       3.254000      0.5773000      0.9853000      0.7015000
  1 1 1      12    5   35 o    1.904000      0.7843000                  ?       ?   1.904000      0.7843000                  ?              ?
  1 1 1      12    5   36 o    4.822000      0.2856000       5.324000 0.3762000       4.320000      0.4299000       1.004000      0.5712000
  1 1 1      12    6    0 o    14.21000      0.2159000       14.14000 0.3040000       14.29000      0.3067000     -0.1495000      0.4318000
  1 1 1      12    6    1 o    12.95000      0.2858000       13.41000 0.4140000       12.49000      0.3940000      0.9182000      0.5715000
  1 1 1      12    6    2 f    10.16000      0.2445000       10.38000 0.3504000       9.936000      0.3411000      0.4456000      0.4890000
  1 1 1      12    6    3 o    13.47000      0.2034000       13.41000 0.2858000       13.52000      0.2894000     -0.1149000      0.4068000
  1 1 1      12    6    4 o    15.98000      0.2305000       15.84000 0.3229000       16.11000      0.3292000     -0.2693000      0.4611000
  1 1 1      12    6    5 o    25.98000      0.5018000       25.98000 0.5018000                  ?              ?              ?              ?
  1 1 1      12    6    6 o    15.50000      0.2224000       15.42000 0.3128000       15.58000      0.3161000     -0.1645000      0.4447000
  1 1 1      12    6    7 o    7.983000      0.2070000                  ?       ?   7.983000      0.2070000                  ?              ?
  1 1 1      12    6    8 o    6.274000      0.1366000       6.334000 0.1965000       6.215000      0.1898000      0.1197000      0.2732000
  1 1 1      12    6    9 o    4.465000      0.1412000       4.565000 0.2025000       4.365000      0.1969000      0.1997000      0.2825000
  1 1 1      12    6   10 o    16.10000      0.2239000       16.10000 0.3164000       16.10000      0.3168000      0.1659000E-03  0.4477000
  1 1 1      12    6   11 o    9.099000      0.1410000       9.044000 0.1969000       9.155000      0.2018000     -0.1110000      0.2820000
  1 1 1      12    6   12 o    13.94000      0.1938000       13.98000 0.2745000       13.89000      0.2737000      0.9012000E-01  0.3876000
  1 1 1      12    6   13 o    17.00000      0.2322000       16.96000 0.3265000       17.04000      0.3302000     -0.8290000E-01  0.4644000
  1 1 1      12    6   14 o    4.386000      0.1625000       4.750000 0.1821000       4.022000      0.2692000      0.7282000      0.3250000
  1 1 1      12    6   15 o    7.387000      0.1671000       7.444000 0.2295000       7.331000      0.2429000      0.1128000      0.3342000
  1 1 1      12    6   16 o    14.44000      0.1984000       14.97000 0.2897000       13.92000      0.2712000       1.051000      0.3969000
  1 1 1      12    6   17 o    6.218000      0.1035000       6.207000 0.1458000       6.228000      0.1471000     -0.2063000E-01  0.2071000
  1 1 1      12    6   18 o    4.431000      0.1011000       4.334000 0.1420000       4.527000      0.1438000     -0.1926000      0.2021000
  1 1 1      12    6   19 o    5.832000      0.1307000       5.934000 0.2023000       5.729000      0.1656000      0.2049000      0.2614000
  1 1 1      12    6   20 o    5.614000      0.1827000       5.427000 0.2827000       5.800000      0.2315000     -0.3723000      0.3654000
  1 1 1      12    6   21 o    4.169000      0.7330000       4.397000 1.159000       3.942000      0.8970000      0.4555000       1.466000
  1 1 1      12    6   22 o    3.770000      0.2191000       3.688000 0.3154000       3.853000      0.3043000     -0.1647000      0.4383000
  1 1 1      12    6   23 o    11.06000      0.1744000       10.99000 0.2446000       11.13000      0.2487000     -0.1410000      0.3489000
  1 1 1      12    6   24 o    2.457000      0.2918000       2.467000 0.4161000       2.448000      0.4093000      0.1945000E-01  0.5837000
  1 1 1      12    6   25 o    11.26000      0.1747000       10.95000 0.2408000       11.56000      0.2531000     -0.6167000      0.3494000
  1 1 1      12    6   26 o    3.721000      0.1983000       3.612000 0.2688000       3.830000      0.2917000     -0.2181000      0.3967000
  1 1 1      12    6   27 o    1.786000      0.3584000       2.077000 0.4658000       1.495000      0.5448000      0.5819000      0.7168000
  1 1 1      12    6   28 o    9.928000      0.1746000       10.15000 0.2422000       9.705000      0.2516000      0.4463000      0.3492000
  1 1 1      12    6   29 o    12.37000      0.1991000       12.61000 0.2800000       12.13000      0.2832000      0.4747000      0.3982000
  1 1 1      12    6   30 o    2.784000      0.4069000       3.483000 0.4329000       2.085000      0.6891000       1.398000      0.8138000
  1 1 1      12    6   31 f    12.76000      0.2807000       12.80000 0.3909000       12.73000      0.4029000      0.7481000E-01  0.5613000
  1 1 1      12    6   32 o    1.703000      0.4589000       1.568000 0.6152000       1.838000      0.6811000     -0.2694000      0.9178000
  1 1 1      12    6   33 o    1.071000      0.3626000       1.020000 0.4843000       1.123000      0.5397000     -0.1027000      0.7252000
  1 1 1      12    6   34 o    4.161000      0.5053000       4.165000 0.7157000       4.157000      0.7135000      0.8060000E-02   1.011000
  1 1 1      12    6   35 o    1.392000      0.4253000       1.199000 0.5193000       1.586000      0.6735000     -0.3868000      0.8505000
  1 1 1      12    6   36 o    1.861000      0.4959000       1.690000 0.6910000       2.032000      0.7115000     -0.3419000      0.9918000
  1 1 1      12    7    0 o    18.73000      0.2686000       18.52000 0.3758000       18.94000      0.3840000     -0.4233000      0.5373000
  1 1 1      12    7    1 o    20.06000      0.2836000       20.40000 0.4074000       19.72000      0.3948000      0.6771000      0.5672000
  1 1 1      12    7    2 o    21.32000      0.4222000       21.13000 0.5914000       21.50000      0.6027000     -0.3680000      0.8444000
  1 1 1      12    7    3 o    18.86000      0.3300000       18.30000 0.3657000       19.41000      0.5494000      -1.113000      0.6600000
  1 1 1      12    7    4 o    7.689000      0.1578000       7.502000 0.2205000       7.875000      0.2259000     -0.3724000      0.3156000
  1 1 1      12    7    5 o    9.205000      0.2285000       9.205000 0.2285000                  ?              ?              ?              ?
  1 1 1      12    7    6 o    4.982000      0.1580000       5.200000 0.2219000       4.764000      0.2251000      0.4351000      0.3161000
  1 1 1      12    7    7 o    8.113000      0.1829000       7.855000 0.1950000       8.370000      0.3096000     -0.5144000      0.3658000
  1 1 1      12    7    8 o    16.81000      0.2362000       16.84000 0.3348000       16.79000      0.3332000      0.5287000E-01  0.4724000
  1 1 1      12    7    9 o    12.21000      0.1797000       12.26000 0.2549000       12.16000      0.2534000      0.1011000      0.3594000
  1 1 1      12    7   10 o    16.33000      0.2269000       16.33000 0.3207000       16.32000      0.3212000      0.1652000E-01  0.4539000
  1 1 1      12    7   11 o    8.833000      0.1386000       8.846000 0.1952000       8.820000      0.1968000      0.2561000E-01  0.2772000
  1 1 1      12    7   12 o    15.89000      0.2190000       15.86000 0.3082000       15.91000      0.3113000     -0.4957000E-01  0.4381000
  1 1 1      12    7   13 o    12.82000      0.2208000       12.88000 0.3572000       12.75000      0.2595000      0.1346000      0.4415000
  1 1 1      12    7   14 o    4.149000      0.1710000       4.326000 0.2051000       3.972000      0.2737000      0.3537000      0.3421000
  1 1 1      12    7   15 o    5.896000      0.1485000       5.930000 0.1926000       5.863000      0.2262000      0.6670000E-01  0.2971000
  1 1 1      12    7   16 o    10.39000      0.1515000       10.25000 0.2093000       10.53000      0.2190000     -0.2803000      0.3029000
  1 1 1      12    7   17 o    4.129000      0.1215000       3.952000 0.1479000       4.306000      0.1928000     -0.3541000      0.2430000
  1 1 1      12    7   18 o    2.396000      0.1781000       2.390000 0.2580000       2.401000      0.2457000     -0.1056000E-01  0.3562000
  1 1 1      12    7   19 o    15.92000      0.2281000       15.51000 0.3235000       16.33000      0.3216000     -0.8270000      0.4562000
  1 1 1      12    7   20 o    4.675000      0.2116000       4.345000 0.3360000       5.005000      0.2573000     -0.6609000      0.4232000
  1 1 1      12    7   21 f    3.211000      0.3090000       3.800000 0.3851000       2.622000      0.4834000       1.177000      0.6180000
  1 1 1      12    7   22 o    4.663000      0.2363000       4.803000 0.3514000       4.522000      0.3161000      0.2815000      0.4726000
  1 1 1      12    7   23 o    7.841000      0.1853000       8.072000 0.2797000       7.610000      0.2431000      0.4626000      0.3706000
  1 1 1      12    7   24 o    10.25000      0.1707000       10.30000 0.2433000       10.20000      0.2396000      0.1012000      0.3415000
  1 1 1      12    7   25 o    4.250000      0.2026000       3.995000 0.2943000       4.506000      0.2784000     -0.5105000      0.4051000
  1 1 1      12    7   26 o    7.736000      0.1590000       7.804000 0.2176000       7.668000      0.2319000      0.1363000      0.3180000
  1 1 1      12    7   27 o    1.281000      0.3702000       1.297000 0.5157000       1.266000      0.5312000      0.3080000E-01  0.7403000
  1 1 1      12    7   28 o    10.38000      0.1815000       10.52000 0.2546000       10.24000      0.2587000      0.2813000      0.3630000
  1 1 1      12    7   29 o    3.079000      0.3655000       2.850000 0.5188000       3.307000      0.5149000     -0.4577000      0.7309000
  1 1 1      12    7   30 o    6.900000      0.1925000       6.729000 0.2671000       7.071000      0.2773000     -0.3424000      0.3850000
  1 1 1      12    7   31 o    7.365000      0.1984000       7.446000 0.2663000       7.285000      0.2940000      0.1612000      0.3967000
  1 1 1      12    7   32 o    3.634000      0.5457000       3.312000 0.7601000       3.956000      0.7832000     -0.6438000       1.091000
  1 1 1      12    7   33 o    2.119000      0.6045000       2.119000 0.8334000       2.119000      0.8758000     -0.1404000E-03   1.209000
  1 1 1      12    7   34 o    2.132000      0.4575000       2.666000 0.6186000       1.598000      0.6742000       1.069000      0.9150000
  1 1 1      12    7   35 o    4.533000      0.3171000       4.237000 0.4549000       4.829000      0.4419000     -0.5921000      0.6342000
  1 1 1      12    7   36 o    1.394000      0.4412000       1.389000 0.6237000       1.400000      0.6241000     -0.1115000E-01  0.8823000
  1 1 1      12    8    0 o    16.92000      0.3491000       16.77000 0.4912000       17.07000      0.4962000     -0.2953000      0.6982000
  1 1 1      12    8    1 o    21.87000      0.3064000       21.72000 0.4306000       22.02000      0.4361000     -0.2993000      0.6129000
  1 1 1      12    8    2 o    22.32000      0.3113000       22.20000 0.4384000       22.43000      0.4420000     -0.2280000      0.6225000
  1 1 1      12    8    3 o    4.199000      0.2760000       3.697000 0.4140000       4.702000      0.3652000      -1.005000      0.5521000
  1 1 1      12    8    4 o    8.670000      0.2317000       9.020000 0.3238000       8.320000      0.3314000      0.6998000      0.4633000
  1 1 1      12    8    5 o    15.95000      0.2307000       15.90000 0.3251000       16.00000      0.3275000     -0.1064000      0.4614000
  1 1 1      12    8    6 o    10.01000      0.1653000       9.952000 0.2326000       10.07000      0.2349000     -0.1186000      0.3306000
  1 1 1      12    8    7 o    15.65000      0.2238000       15.62000 0.3162000       15.67000      0.3169000     -0.5216000E-01  0.4477000
  1 1 1      12    8    8 o    19.89000      0.2748000       20.00000 0.3907000       19.78000      0.3867000      0.2214000      0.5497000
  1 1 1      12    8    9 o    7.733000      0.1385000       7.730000 0.1953000       7.735000      0.1965000     -0.5153000E-02  0.2771000
  1 1 1      12    8   10 o    7.754000      0.1332000       7.881000 0.1874000       7.628000      0.1894000      0.2529000      0.2664000
  1 1 1      12    8   11 o    10.75000      0.1582000       10.78000 0.2229000       10.71000      0.2247000      0.6996000E-01  0.3165000
  1 1 1      12    8   12 o    12.99000      0.1832000       13.14000 0.2598000       12.83000      0.2585000      0.3115000      0.3665000
  1 1 1      12    8   13 o    3.272000      0.1890000       3.421000 0.2063000       3.122000      0.3167000      0.2994000      0.3780000
  1 1 1      12    8   14 f    9.406000      0.1815000       9.377000 0.2317000       9.434000      0.2794000     -0.5657000E-01  0.3630000
  1 1 1      12    8   15 o    3.679000      0.1619000       3.621000 0.2036000       3.737000      0.2518000     -0.1158000      0.3239000
  1 1 1      12    8   16 o    3.825000      0.1377000       4.074000 0.1821000       3.576000      0.2065000      0.4980000      0.2753000
  1 1 1      12    8   17 o    9.158000      0.1382000       9.420000 0.1995000       8.896000      0.1913000      0.5240000      0.2764000
  1 1 1      12    8   18 o    1.214000      0.3028000       1.256000 0.4382000       1.173000      0.4180000      0.8287000E-01  0.6056000
  1 1 1      12    8   19 o    9.980000      0.1921000       9.857000 0.3062000       10.10000      0.2319000     -0.2460000      0.3841000
  1 1 1      12    8   20 o    8.422000      0.2946000       8.343000 0.2862000       8.501000      0.5150000     -0.1588000      0.5892000
  1 1 1      12    8   21 o    5.527000      0.7486000       4.001000 1.473000       7.054000      0.2700000      -3.053000       1.497000
  1 1 1      12    8   22 o    8.538000      0.2089000       8.575000 0.3147000       8.501000      0.2749000      0.7456000E-01  0.4179000
  1 1 1      12    8   23 o    15.84000      0.2446000       16.13000 0.3638000       15.55000      0.3272000      0.5851000      0.4893000
  1 1 1      12    8   24 o    7.063000      0.1976000       7.158000 0.2944000       6.968000      0.2638000      0.1895000      0.3952000
  1 1 1      12    8   25 o    4.578000      0.2263000       4.835000 0.3370000       4.320000      0.3021000      0.5156000      0.4526000
  1 1 1      12    8   26 o    4.618000      0.2134000       4.723000 0.2988000       4.513000      0.3048000      0.2097000      0.4268000
  1 1 1      12    8   27 o    2.082000      0.4502000       1.836000 0.6485000       2.328000      0.6245000     -0.4923000      0.9003000
  1 1 1      12    8   28 o    8.417000      0.2259000       8.325000 0.3152000       8.509000      0.3236000     -0.1838000      0.4517000
  1 1 1      12    8   29 o    1.481000      0.3973000       1.060000 0.4894000       1.902000      0.6261000     -0.8424000      0.7947000
  1 1 1      12    8   30 o    4.807000      0.2214000       4.855000 0.2813000       4.760000      0.3420000      0.9584000E-01  0.4428000
  1 1 1      12    8   31 o    6.910000      0.3162000       6.997000 0.4325000       6.823000      0.4615000      0.1734000      0.6325000
  1 1 1      12    8   32 o    4.241000      0.4742000       3.971000 0.6864000       4.512000      0.6544000     -0.5409000      0.9484000
  1 1 1      12    8   33 o    2.576000      0.4579000       2.939000 0.5630000       2.214000      0.7224000      0.7253000      0.9158000
  1 1 1      12    8   34 o    2.088000      0.4721000       1.604000 0.6491000       2.572000      0.6856000     -0.9679000      0.9441000
  1 1 1      12    8   35 o    5.699000      0.2681000       5.748000 0.3646000       5.650000      0.3931000      0.9826000E-01  0.5362000
  1 1 1      12    8   36 o    2.109000      0.4964000       1.585000 0.6696000       2.633000      0.7331000      -1.048000      0.9928000
  1 1 1      12    9    0 o    3.796000      0.3283000       3.879000 0.4796000       3.713000      0.4484000      0.1661000      0.6566000
  1 1 1      12    9    1 o    4.808000      0.2586000       4.731000 0.3880000       4.885000      0.3420000     -0.1543000      0.5172000
  1 1 1      12    9    2 o    16.95000      0.2463000       16.85000 0.3467000       17.05000      0.3500000     -0.1920000      0.4927000
  1 1 1      12    9    3 o    20.30000      0.2855000       20.28000 0.4038000       20.31000      0.4036000     -0.2724000E-01  0.5710000
  1 1 1      12    9    4 o    24.87000      0.4851000       25.31000 0.6959000       24.42000      0.6760000      0.8962000      0.9702000
  1 1 1      12    9    5 o    11.66000      0.2631000       11.51000 0.3625000       11.82000      0.3813000     -0.3124000      0.5261000
  1 1 1      12    9    6 o    3.894000      0.1862000       4.121000 0.2482000       3.666000      0.2776000      0.4549000      0.3724000
  1 1 1      12    9    7 f    6.802000      0.1447000       6.652000 0.2037000       6.952000      0.2056000     -0.2997000      0.2894000
  1 1 1      12    9    8 o    2.227000      0.2686000       1.917000 0.4295000       2.536000      0.3226000     -0.6187000      0.5371000
  1 1 1      12    9    9 o    4.128000      0.1464000       4.193000 0.2068000       4.062000      0.2072000      0.1308000      0.2927000
  1 1 1      12    9   10 o    10.41000      0.1579000       10.43000 0.2221000       10.40000      0.2246000      0.3574000E-01  0.3159000
  1 1 1      12    9   11 o    1.478000      0.2715000       1.427000 0.3775000       1.529000      0.3904000     -0.1016000      0.5430000
  1 1 1      12    9   12 o    6.863000      0.1302000       6.976000 0.1738000       6.749000      0.1940000      0.2278000      0.2605000
  1 1 1      12    9   13 o    6.521000      0.1526000       6.795000 0.1889000       6.248000      0.2398000      0.5477000      0.3053000
  1 1 1      12    9   14 o    10.09000      0.1943000       10.05000 0.2465000       10.13000      0.3003000     -0.8063000E-01  0.3886000
  1 1 1      12    9   15 o    2.548000      0.2071000       2.334000 0.2704000       2.763000      0.3137000     -0.4292000      0.4142000
  1 1 1      12    9   16 o    3.215000      0.1666000       3.187000 0.2282000       3.244000      0.2428000     -0.5620000E-01  0.3332000
  1 1 1      12    9   17 o    6.990000      0.1326000       6.985000 0.1912000       6.995000      0.1839000     -0.1005000E-01  0.2653000
  1 1 1      12    9   18 o    5.407000      0.1462000       5.735000 0.2214000       5.080000      0.1910000      0.6549000      0.2924000
  1 1 1      12    9   19 f    4.226000      0.1901000       3.794000 0.2967000       4.658000      0.2379000     -0.8641000      0.3803000
  1 1 1      12    9   20 o    8.838000      0.1974000       9.105000 0.3024000       8.572000      0.2539000      0.5330000      0.3948000
  1 1 1      12    9   21 o    3.771000      0.2676000       3.382000 0.4254000       4.159000      0.3249000     -0.7769000      0.5352000
  1 1 1      12    9   22 o    2.090000      0.4384000       2.149000 0.6493000       2.032000      0.5891000      0.1166000      0.8767000
  1 1 1      12    9   23 o    9.952000      0.2167000       10.12000 0.3338000       9.780000      0.2765000      0.3445000      0.4334000
  1 1 1      12    9   24 o    11.08000      0.3462000       11.08000 0.5456000       11.09000      0.4263000     -0.1425000E-01  0.6924000
  1 1 1      12    9   25 o    8.363000      0.2808000       8.108000 0.4044000       8.618000      0.3896000     -0.5095000      0.5615000
  1 1 1      12    9   26 o    5.488000      0.2264000       5.530000 0.3462000       5.445000      0.2918000      0.8493000E-01  0.4528000
  1 1 1      12    9   27 o    8.015000      0.1940000       8.133000 0.2902000       7.897000      0.2576000      0.2358000      0.3880000
  1 1 1      12    9   28 o    5.983000      0.1809000       6.016000 0.2446000       5.951000      0.2665000      0.6551000E-01  0.3618000
  1 1 1      12    9   29 o    3.052000      0.5237000       3.120000 0.6632000       2.984000      0.8107000      0.1366000       1.047000
  1 1 1      12    9   30 o    3.513000      0.4903000       2.934000 0.7350000       4.092000      0.6490000      -1.159000      0.9806000
  1 1 1      12    9   31 f    5.895000      0.2191000       5.894000 0.2903000       5.897000      0.3283000     -0.3045000E-02  0.4382000
  1 1 1      12    9   32 o    1.716000      0.4661000       1.791000 0.6516000       1.640000      0.6667000      0.1517000      0.9323000
  1 1 1      12    9   33 o    4.122000      0.3152000       3.901000 0.4400000       4.343000      0.4514000     -0.4414000      0.6303000
  1 1 1      12    9   34 o    3.237000      0.5452000       3.237000 0.5452000                  ?              ?              ?              ?
  1 1 1      12    9   35 o    3.268000      0.4393000       3.342000 0.5592000       3.194000      0.6778000      0.1482000      0.8786000
  1 1 1      12    9   36 o    2.358000      0.5015000       2.876000 0.6856000       1.840000      0.7320000       1.036000       1.003000
  1 1 1      12   10    0 o    8.881000      0.1787000       9.025000 0.2546000       8.737000      0.2507000      0.2881000      0.3573000
  1 1 1      12   10    1 o    9.993000      0.2492000       10.43000 0.3669000       9.556000      0.3374000      0.8726000      0.4985000
  1 1 1      12   10    2 o    11.88000      0.2699000       12.08000 0.3910000       11.67000      0.3720000      0.4119000      0.5397000
  1 1 1      12   10    3 o    22.48000      0.3126000       22.54000 0.4433000       22.41000      0.4410000      0.1347000      0.6253000
  1 1 1      12   10    4 o    22.61000      0.3141000       22.68000 0.4454000       22.54000      0.4430000      0.1408000      0.6282000
  1 1 1      12   10    5 o    11.42000      0.1831000       11.53000 0.2584000       11.32000      0.2595000      0.2143000      0.3662000
  1 1 1      12   10    6 f    15.90000      0.4598000       15.90000 0.4598000                  ?              ?              ?              ?
  1 1 1      12   10    8 o    14.24000      0.4233000                  ?       ?   14.24000      0.4233000                  ?              ?
  1 1 1      12   10    9 f    10.85000      0.1655000       11.09000 0.2372000       10.60000      0.2309000      0.4818000      0.3310000
  1 1 1      12   10   10 o    18.71000      0.2579000       18.94000 0.3687000       18.47000      0.3606000      0.4693000      0.5157000
  1 1 1      12   10   11 o    2.995000      0.1673000       2.948000 0.2226000       3.041000      0.2499000     -0.9286000E-01  0.3346000
  1 1 1      12   10   12 o    2.329000      0.2467000       2.600000 0.2571000       2.059000      0.4212000      0.5410000      0.4935000
  1 1 1      12   10   13 o    6.204000      0.1592000       6.122000 0.2000000       6.285000      0.2478000     -0.1635000      0.3184000
  1 1 1      12   10   14 o    3.914000      0.1782000       3.856000 0.2286000       3.972000      0.2734000     -0.1166000      0.3564000
  1 1 1      12   10   15 o    1.219000      0.3217000       1.121000 0.4365000       1.317000      0.4728000     -0.1965000      0.6435000
  1 1 1      12   10   16 o    4.096000      0.1655000       4.221000 0.2280000       3.972000      0.2400000      0.2493000      0.3310000
  1 1 1      12   10   17 o    5.242000      0.1500000       5.304000 0.2159000       5.180000      0.2082000      0.1235000      0.2999000
  1 1 1      12   10   18 o    4.813000      0.1719000       4.877000 0.2593000       4.750000      0.2256000      0.1272000      0.3437000
  1 1 1      12   10   19 o    3.037000      0.2547000       2.995000 0.3904000       3.079000      0.3271000     -0.8415000E-01  0.5093000
  1 1 1      12   10   20 o    3.777000      0.9830000       4.060000 1.642000       3.494000       1.081000      0.5661000       1.966000
  1 1 1      12   10   21 o    8.404000      0.8428000       8.471000 1.565000       8.336000      0.6260000      0.1353000       1.686000
  1 1 1      12   10   22 o    7.460000      0.8545000       6.777000 1.574000       8.142000      0.6647000      -1.366000       1.709000
  1 1 1      12   10   23 o    3.859000      0.3426000       3.693000 0.5518000       4.026000      0.4061000     -0.3328000      0.6851000
  1 1 1      12   10   24 o    11.40000      0.2238000       11.70000 0.3384000       11.09000      0.2930000      0.6040000      0.4476000
  1 1 1      12   10   25 o    8.311000      0.2210000       8.561000 0.3354000       8.060000      0.2878000      0.5014000      0.4420000
  1 1 1      12   10   26 o    10.14000      0.2855000       10.80000 0.4237000       9.489000      0.3826000       1.310000      0.5709000
  1 1 1      12   10   27 o    2.333000      0.5704000       2.272000 0.8548000       2.393000      0.7555000     -0.1210000       1.141000
  1 1 1      12   10   28 o    5.829000      0.3939000       5.423000 0.6473000       6.235000      0.4493000     -0.8120000      0.7879000
  1 1 1      12   10   29 o    5.174000      0.2451000       5.055000 0.3639000       5.292000      0.3284000     -0.2371000      0.4902000
  1 1 1      12   10   30 o    2.866000      0.4067000       2.815000 0.5745000       2.917000      0.5760000     -0.1024000      0.8135000
  1 1 1      12   10   31 o    2.126000      0.4560000       1.621000 0.6423000       2.631000      0.6475000      -1.010000      0.9120000
  1 1 1      12   10   32 o    6.280000      0.2303000       5.992000 0.3143000       6.568000      0.3368000     -0.5765000      0.4607000
  1 1 1      12   10   33 o    6.506000      0.2368000       6.711000 0.3093000       6.301000      0.3587000      0.4099000      0.4736000
  1 1 1      12   10   34 o    2.838000      0.4997000       2.752000 0.6917000       2.924000      0.7215000     -0.1719000      0.9995000
  1 1 1      12   10   35 o    3.561000      0.4245000       3.730000 0.5485000       3.392000      0.6479000      0.3376000      0.8489000
  1 1 1      12   11    0 o    22.07000      0.3112000       22.17000 0.4421000       21.98000      0.4382000      0.1981000      0.6225000
  1 1 1      12   11    1 o    7.800000      0.1740000       7.749000 0.2446000       7.852000      0.2474000     -0.1030000      0.3479000
  1 1 1      12   11    2 o    4.495000      0.2062000       4.147000 0.3071000       4.843000      0.2753000     -0.6964000      0.4124000
  1 1 1      12   11    3 o    6.086000      0.2305000       5.854000 0.3528000       6.319000      0.2968000     -0.4655000      0.4611000
  1 1 1      12   11    4 o    15.18000      0.3134000       15.21000 0.4467000       15.15000      0.4398000      0.5580000E-01  0.6268000
  1 1 1      12   11    5 o    16.02000      0.3258000       15.74000 0.4561000       16.30000      0.4653000     -0.5585000      0.6515000
  1 1 1      12   11    6 o    12.12000      0.2637000       12.12000 0.2637000                  ?              ?              ?              ?
  1 1 1      12   11    7 o    12.56000      0.1891000       12.53000 0.2668000       12.58000      0.2681000     -0.4342000E-01  0.3782000
  1 1 1      12   11    8 o    7.376000      0.2050000                  ?       ?   7.376000      0.2050000                  ?              ?
  1 1 1      12   11    9 o    5.905000      0.1349000       6.004000 0.1905000       5.806000      0.1910000      0.1974000      0.2698000
  1 1 1      12   11   10 o    12.65000      0.2656000       12.94000 0.3789000       12.35000      0.3722000      0.5889000      0.5311000
  1 1 1      12   11   11 o    2.957000      0.2628000       2.864000 0.3450000       3.051000      0.3967000     -0.1870000      0.5257000
  1 1 1      12   11   12 o    4.916000      0.1883000       4.721000 0.2507000       5.112000      0.2811000     -0.3909000      0.3767000
  1 1 1      12   11   13 o    6.943000      0.1771000       6.985000 0.2453000       6.902000      0.2554000      0.8318000E-01  0.3542000
  1 1 1      12   11   14 o    9.829000      0.2110000       10.18000 0.3053000       9.475000      0.2913000      0.7087000      0.4220000
  1 1 1      12   11   15 o    5.288000      0.1664000       5.445000 0.2354000       5.132000      0.2353000      0.3130000      0.3328000
  1 1 1      12   11   16 o    1.529000      0.3829000       1.651000 0.5628000       1.408000      0.5191000      0.2433000      0.7657000
  1 1 1      12   11   17 o    5.330000      0.2277000       5.016000 0.3567000       5.644000      0.2831000     -0.6273000      0.4554000
  1 1 1      12   11   18 o    2.906000      0.3075000       2.861000 0.4650000       2.951000      0.4026000     -0.8939000E-01  0.6150000
  1 1 1      12   11   19 o    3.494000      0.2814000       3.695000 0.4157000       3.293000      0.3795000      0.4024000      0.5628000
  1 1 1      12   11   20 o    5.235000      0.2147000       5.124000 0.3247000       5.345000      0.2809000     -0.2203000      0.4294000
  1 1 1      12   11   21 o    13.03000      0.2792000       13.07000 0.3986000       12.99000      0.3911000      0.8418000E-01  0.5584000
  1 1 1      12   11   22 o    6.941000      0.9328000       5.569000 1.714000       8.314000      0.7359000      -2.745000       1.866000
  1 1 1      12   11   23 o    4.455000      0.3167000       4.194000 0.4921000       4.716000      0.3989000     -0.5222000      0.6334000
  1 1 1      12   11   24 o    5.126000      0.3089000       5.542000 0.4409000       4.710000      0.4329000      0.8323000      0.6179000
  1 1 1      12   11   25 o    3.539000      0.4431000       3.497000 0.6810000       3.581000      0.5672000     -0.8429000E-01  0.8862000
  1 1 1      12   11   26 f    3.709000      0.3977000       3.959000 0.5881000       3.459000      0.5354000      0.5000000      0.7953000
  1 1 1      12   11   27 o    4.809000      0.2860000       4.916000 0.4351000       4.702000      0.3712000      0.2144000      0.5719000
  1 1 1      12   11   28 o    5.631000      0.2647000       5.225000 0.4275000       6.038000      0.3121000     -0.8131000      0.5293000
  1 1 1      12   11   29 o    4.151000      0.4413000       3.369000 0.8005000       4.934000      0.3715000      -1.565000      0.8825000
  1 1 1      12   11   30 o    1.778000      0.4963000       1.692000 0.7020000       1.863000      0.7016000     -0.1717000      0.9925000
  1 1 1      12   11   31 o    1.418000      0.4415000       1.568000 0.6629000       1.268000      0.5832000      0.3005000      0.8830000
  1 1 1      12   11   32 o    8.017000      0.2172000       7.795000 0.3019000       8.240000      0.3123000     -0.4452000      0.4344000
  1 1 1      12   11   33 o    3.915000      0.3785000       4.105000 0.4694000       3.725000      0.5939000      0.3808000      0.7570000
  1 1 1      12   11   34 o    2.073000      0.5196000       2.115000 0.7167000       2.031000      0.7524000      0.8404000E-01   1.039000
  1 1 1      12   11   35 o    4.230000      0.4032000       5.241000 0.4130000       3.219000      0.6926000       2.022000      0.8063000
  1 1 1      12   12    0 o    7.026000      0.1812000       6.889000 0.2617000       7.163000      0.2506000     -0.2740000      0.3623000
  1 1 1      12   12    1 o    9.827000      0.1825000       9.953000 0.2590000       9.702000      0.2574000      0.2510000      0.3651000
  1 1 1      12   12    2 o    7.544000      0.1978000       7.746000 0.2389000       7.342000      0.3152000      0.4040000      0.3955000
  1 1 1      12   12    3 o    4.341000      0.2046000       4.132000 0.2999000       4.550000      0.2785000     -0.4180000      0.4093000
  1 1 1      12   12    4 o    7.550000      0.1633000       7.519000 0.2279000       7.581000      0.2340000     -0.6246000E-01  0.3266000
  1 1 1      12   12    5 o    10.52000      0.2404000       10.66000 0.3490000       10.39000      0.3308000      0.2655000      0.4809000
  1 1 1      12   12    6 o    6.875000      0.2024000       7.331000 0.3039000       6.419000      0.2675000      0.9127000      0.4049000
  1 1 1      12   12    7 o    5.217000      0.1961000       5.115000 0.2890000       5.318000      0.2652000     -0.2025000      0.3923000
  1 1 1      12   12    8 o    6.802000      0.1839000       6.870000 0.2657000       6.733000      0.2542000      0.1370000      0.3677000
  1 1 1      12   12    9 o    7.604000      0.1868000       7.543000 0.2641000       7.666000      0.2643000     -0.1236000      0.3737000
  1 1 1      12   12   10 o    5.180000      0.1348000       5.176000 0.1800000       5.183000      0.2007000     -0.7493000E-02  0.2696000
  1 1 1      12   12   11 o    3.212000      0.2040000       3.277000 0.2482000       3.147000      0.3239000      0.1300000      0.4080000
  1 1 1      12   12   12 o    3.637000      0.2103000       3.718000 0.2452000       3.556000      0.3416000      0.1622000      0.4205000
  1 1 1      12   12   13 o    3.332000      0.2139000       3.106000 0.2890000       3.558000      0.3154000     -0.4515000      0.4278000
  1 1 1      12   12   14 o    8.607000      0.1900000       8.731000 0.2632000       8.484000      0.2740000      0.2477000      0.3799000
  1 1 1      12   12   15 o    3.939000      0.2024000       4.090000 0.2871000       3.788000      0.2852000      0.3017000      0.4047000
  1 1 1      12   12   16 o    5.082000      0.2004000       5.144000 0.2903000       5.020000      0.2763000      0.1241000      0.4008000
  1 1 1      12   12   17 o    5.139000      0.2009000       5.260000 0.2977000       5.018000      0.2700000      0.2419000      0.4019000
  1 1 1      12   12   18 o    1.453000      0.4326000       1.184000 0.5366000       1.722000      0.6787000     -0.5380000      0.8652000
  1 1 1      12   12   19 o    9.279000      0.2279000       9.281000 0.3225000       9.277000      0.3220000      0.4294000E-02  0.4558000
  1 1 1      12   12   20 o    2.933000      0.3575000       3.148000 0.4908000       2.717000      0.5200000      0.4315000      0.7151000
  1 1 1      12   12   21 o    8.342000      0.2259000       8.493000 0.3251000       8.192000      0.3137000      0.3004000      0.4518000
  1 1 1      12   12   22 o    1.816000      0.4611000       2.176000 0.6969000       1.456000      0.6040000      0.7199000      0.9223000
  1 1 1      12   12   23 o    3.428000      0.3958000       3.441000 0.6097000       3.414000      0.5048000      0.2650000E-01  0.7916000
  1 1 1      12   12   24 o    2.612000      0.4856000       3.146000 0.6873000       2.078000      0.6862000       1.067000      0.9712000
  1 1 1      12   12   25 o    6.397000      0.2704000       6.010000 0.4358000       6.784000      0.3201000     -0.7734000      0.5408000
  1 1 1      12   12   26 f    1.841000      0.4958000       1.520000 0.6854000       2.162000      0.7166000     -0.6417000      0.9916000
  1 1 1      12   12   27 o    6.569000      0.2697000       6.097000 0.4251000       7.042000      0.3321000     -0.9448000      0.5394000
  1 1 1      12   12   28 o    5.930000      0.2578000       5.637000 0.4074000       6.223000      0.3162000     -0.5855000      0.5157000
  1 1 1      12   12   29 o    5.144000      0.2996000       5.360000 0.4471000       4.928000      0.3989000      0.4321000      0.5992000
  1 1 1      12   12   30 o    3.785000      0.3967000       3.884000 0.5907000       3.687000      0.5298000      0.1968000      0.7935000
  1 1 1      12   12   31 o    1.862000      0.5230000       1.923000 0.7613000       1.801000      0.7174000      0.1223000       1.046000
  1 1 1      12   12   32 o    6.159000      0.2635000       6.301000 0.3782000       6.017000      0.3669000      0.2835000      0.5269000
  1 1 1      12   12   33 o    3.716000      0.4754000       3.233000 0.8147000       4.198000      0.4904000     -0.9654000      0.9509000
  1 1 1      12   12   34 o    2.478000      0.5260000       2.917000 0.7232000       2.039000      0.7640000      0.8783000       1.052000
  1 1 1      12   12   35 o    3.783000      0.4364000       4.073000 0.5606000       3.492000      0.6690000      0.5809000      0.8728000
  1 1 1      12   13    0 o    14.61000      0.2248000       14.86000 0.3224000       14.37000      0.3134000      0.4952000      0.4496000
  1 1 1      12   13    1 o    10.82000      0.1889000       10.66000 0.2660000       10.98000      0.2682000     -0.3198000      0.3777000
  1 1 1      12   13    2 o    8.405000      0.1726000       8.166000 0.2426000       8.645000      0.2456000     -0.4787000      0.3452000
  1 1 1      12   13    3 o    13.94000      0.2129000       13.65000 0.2963000       14.23000      0.3059000     -0.5769000      0.4258000
  1 1 1      12   13    4 o    8.462000      0.1647000       8.339000 0.2301000       8.585000      0.2357000     -0.2461000      0.3294000
  1 1 1      12   13    5 o    11.64000      0.1851000       11.54000 0.2586000       11.75000      0.2650000     -0.2142000      0.3703000
  1 1 1      12   13    6 o    1.957000      0.3289000       1.876000 0.4919000       2.039000      0.4367000     -0.1634000      0.6578000
  1 1 1      12   13    7 o    12.27000      0.1864000       12.02000 0.2595000       12.53000      0.2676000     -0.5031000      0.3727000
  1 1 1      12   13    8 o    10.85000      0.1703000       10.92000 0.2401000       10.78000      0.2416000      0.1407000      0.3406000
  1 1 1      12   13    9 o    3.602000      0.1742000       3.483000 0.2467000       3.720000      0.2460000     -0.2370000      0.3483000
  1 1 1      12   13   10 o    8.055000      0.1500000       8.252000 0.2058000       7.859000      0.2183000      0.3929000      0.3000000
  1 1 1      12   13   11 o    1.193000      0.3886000       1.206000 0.5350000       1.180000      0.5637000      0.2654000E-01  0.7772000
  1 1 1      12   13   12 o    7.740000      0.4479000       8.280000 0.3980000       7.200000      0.8025000       1.079000      0.8958000
  1 1 1      12   13   13 o    9.518000      0.6797000       9.634000 0.5477000       9.402000       1.244000      0.2319000       1.359000
  1 1 1      12   13   14 o    5.284000       1.015000       5.444000 0.9677000       5.124000       1.784000      0.3204000       2.029000
  1 1 1      12   13   15 o    2.889000      0.8490000       2.709000 1.073000       3.069000       1.316000     -0.3596000       1.698000
  1 1 1      12   13   16 f    3.683000      0.2705000       3.575000 0.4029000       3.791000      0.3612000     -0.2163000      0.5411000
  1 1 1      12   13   17 o    5.998000      0.2265000       6.117000 0.3377000       5.878000      0.3020000      0.2391000      0.4531000
  1 1 1      12   13   18 o    10.59000      0.2116000       10.47000 0.3166000       10.71000      0.2807000     -0.2418000      0.4231000
  1 1 1      12   13   19 o    4.792000      0.2433000       4.698000 0.3543000       4.886000      0.3336000     -0.1884000      0.4867000
  1 1 1      12   13   20 o    2.444000      0.4324000       2.660000 0.6102000       2.227000      0.6127000      0.4331000      0.8647000
  1 1 1      12   13   21 o    6.004000      0.2337000       6.345000 0.3452000       5.664000      0.3151000      0.6817000      0.4674000
  1 1 1      12   13   22 o    2.765000      0.4357000       2.920000 0.6150000       2.610000      0.6172000      0.3095000      0.8713000
  1 1 1      12   13   23 o    6.401000      0.2541000       6.447000 0.3733000       6.355000      0.3449000      0.9266000E-01  0.5082000
  1 1 1      12   13   24 o    5.660000      0.2850000       5.547000 0.4446000       5.774000      0.3567000     -0.2268000      0.5700000
  1 1 1      12   13   25 o    7.483000      0.2700000       7.212000 0.3809000       7.755000      0.3829000     -0.5425000      0.5401000
  1 1 1      12   13   26 o    6.243000      0.2906000       6.274000 0.4474000       6.212000      0.3709000      0.6163000E-01  0.5811000
  1 1 1      12   13   27 o    2.014000      0.5455000       2.233000 0.8253000       1.795000      0.7137000      0.4386000       1.091000
  1 1 1      12   13   28 o    1.890000      0.5307000       1.895000 0.7763000       1.884000      0.7237000      0.1112000E-01   1.061000
  1 1 1      12   13   29 o    1.723000      0.5066000       1.894000 0.7675000       1.552000      0.6615000      0.3426000       1.013000
  1 1 1      12   13   30 o    1.805000      0.5128000       2.250000 0.8159000       1.360000      0.6215000      0.8903000       1.026000
  1 1 1      12   13   31 o    5.415000      0.3175000       5.249000 0.4911000       5.582000      0.4024000     -0.3332000      0.6349000
  1 1 1      12   13   32 o    2.252000      0.5141000       1.656000 0.7343000       2.847000      0.7197000      -1.190000       1.028000
  1 1 1      12   13   33 o    3.661000      0.4330000       3.251000 0.6734000       4.071000      0.5444000     -0.8203000      0.8660000
  1 1 1      12   13   34 o    1.598000      0.4935000       1.541000 0.6855000       1.655000      0.7100000     -0.1149000      0.9869000
  1 1 1      12   13   35 o    2.557000      0.5561000       2.641000 0.7431000       2.474000      0.8276000      0.1664000       1.112000
  1 1 1      12   14    0 o    14.91000      0.2281000       15.16000 0.3259000       14.67000      0.3193000      0.4879000      0.4562000
  1 1 1      12   14    1 o    6.739000      0.1782000       6.937000 0.2475000       6.541000      0.2565000      0.3959000      0.3565000
  1 1 1      12   14    2 o    14.54000      0.2204000       14.52000 0.3108000       14.57000      0.3127000     -0.4531000E-01  0.4409000
  1 1 1      12   14    3 o    12.76000      0.2012000       13.04000 0.2876000       12.49000      0.2816000      0.5537000      0.4025000
  1 1 1      12   14    4 o    6.484000      0.1634000       6.302000 0.2309000       6.665000      0.2313000     -0.3634000      0.3268000
  1 1 1      12   14    5 o    5.696000      0.1633000       5.715000 0.2276000       5.677000      0.2343000      0.3795000E-01  0.3267000
  1 1 1      12   14    6 o    13.88000      0.2063000       13.77000 0.2883000       13.99000      0.2951000     -0.2195000      0.4126000
  1 1 1      12   14    7 o    14.58000      0.2122000       14.69000 0.3021000       14.47000      0.2982000      0.2218000      0.4245000
  1 1 1      12   14    8 o    6.388000      0.1467000       6.380000 0.2010000       6.397000      0.2139000     -0.1663000E-01  0.2935000
  1 1 1      12   14    9 o    6.006000      0.1457000       5.852000 0.1961000       6.160000      0.2154000     -0.3077000      0.2913000
  1 1 1      12   14   10 f    6.862000      0.1539000       6.811000 0.2057000       6.913000      0.2288000     -0.1024000      0.3077000
  1 1 1      12   14   11 o    9.483000      0.1769000       9.683000 0.2340000       9.283000      0.2654000      0.3995000      0.3539000
  1 1 1      12   14   12 o    5.398000      0.1822000       5.326000 0.2385000       5.470000      0.2755000     -0.1436000      0.3644000
  1 1 1      12   14   13 o    6.491000      0.1842000       6.702000 0.2517000       6.280000      0.2691000      0.4227000      0.3685000
  1 1 1      12   14   14 o    4.221000      0.2146000       4.354000 0.2912000       4.089000      0.3152000      0.2650000      0.4291000
  1 1 1      12   14   15 f    2.231000      0.4147000       2.517000 0.5701000       1.944000      0.6024000      0.5724000      0.8294000
  1 1 1      12   14   16 o    1.924000      0.4540000       2.041000 0.6634000       1.806000      0.6201000      0.2351000      0.9081000
  1 1 1      12   14   17 o    5.958000      0.2745000       6.025000 0.3993000       5.891000      0.3766000      0.1350000      0.5489000
  1 1 1      12   14   18 o    8.870000      0.2160000       8.951000 0.3253000       8.788000      0.2843000      0.1630000      0.4320000
  1 1 1      12   14   19 o    2.865000      0.4482000       2.922000 0.6322000       2.808000      0.6356000      0.1145000      0.8964000
  1 1 1      12   14   20 o    5.215000      0.2618000       5.142000 0.3850000       5.289000      0.3549000     -0.1477000      0.5236000
  1 1 1      12   14   21 o    4.412000      0.2932000       4.564000 0.4324000       4.260000      0.3960000      0.3040000      0.5864000
  1 1 1      12   14   22 o    7.332000      0.2338000       7.327000 0.3410000       7.337000      0.3199000     -0.9514000E-02  0.4676000
  1 1 1      12   14   23 o    6.611000      0.2585000       6.826000 0.3837000       6.395000      0.3463000      0.4303000      0.5169000
  1 1 1      12   14   24 o    3.888000      0.3853000       4.018000 0.5525000       3.758000      0.5371000      0.2603000      0.7705000
  1 1 1      12   14   25 o    1.830000      0.5139000       2.056000 0.7727000       1.604000      0.6776000      0.4516000       1.028000
  1 1 1      12   14   26 o    2.942000      0.5086000       2.600000 0.8138000       3.284000      0.6103000     -0.6847000       1.017000
  1 1 1      12   14   27 o    2.418000      0.5042000       1.716000 0.7481000       3.120000      0.6761000      -1.404000       1.008000
  1 1 1      12   14   28 o    3.049000      0.5584000       3.244000 0.8286000       2.853000      0.7489000      0.3910000       1.117000
  1 1 1      12   14   29 o    4.891000      0.3975000       4.188000 0.6730000       5.595000      0.4231000      -1.406000      0.7950000
  1 1 1      12   14   30 o    1.881000      0.5271000       2.298000 0.8269000       1.463000      0.6538000      0.8354000       1.054000
  1 1 1      12   14   31 o    2.997000      0.5421000       2.653000 0.8460000       3.342000      0.6779000     -0.6889000       1.084000
  1 1 1      12   14   32 o    5.487000      0.3308000       5.429000 0.4952000       5.545000      0.4387000     -0.1158000      0.6616000
  1 1 1      12   14   33 o    1.689000      0.5190000       1.666000 0.7330000       1.712000      0.7349000     -0.4609000E-01   1.038000
  1 1 1      12   14   34 o    3.978000      0.4606000       3.267000 0.7438000       4.689000      0.5435000      -1.422000      0.9212000
  1 1 1      12   15    0 o    7.105000      0.1836000       6.949000 0.2585000       7.260000      0.2609000     -0.3102000      0.3673000
  1 1 1      12   15    1 o    10.15000      0.1842000       9.965000 0.2580000       10.34000      0.2630000     -0.3768000      0.3684000
  1 1 1      12   15    2 o    5.867000      0.1759000       5.801000 0.2516000       5.934000      0.2460000     -0.1328000      0.3519000
  1 1 1      12   15    3 o    2.675000      0.3072000       2.285000 0.4910000       3.064000      0.3694000     -0.7795000      0.6145000
  1 1 1      12   15    4 f    5.558000      0.1684000       5.823000 0.2320000       5.293000      0.2441000      0.5296000      0.3368000
  1 1 1      12   15    5 o    9.756000      0.1695000       9.968000 0.2399000       9.544000      0.2397000      0.4242000      0.3391000
  1 1 1      12   15    6 o    12.44000      0.1904000       12.69000 0.2714000       12.18000      0.2673000      0.5072000      0.3809000
  1 1 1      12   15    7 o    9.089000      0.2227000       9.089000 0.2227000                  ?              ?              ?              ?
  1 1 1      12   15    8 o    6.924000      0.1465000       7.058000 0.2018000       6.790000      0.2124000      0.2672000      0.2930000
  1 1 1      12   15    9 o    11.14000      0.2585000                  ?       ?   11.14000      0.2585000                  ?              ?
  1 1 1      12   15   10 o    4.776000      0.2297000       4.317000 0.3820000       5.236000      0.2552000     -0.9192000      0.4594000
  1 1 1      12   15   11 o    11.78000      0.2041000       11.72000 0.2708000       11.84000      0.3054000     -0.1223000      0.4082000
  1 1 1      12   15   12 o    1.629000      0.3836000       1.558000 0.5277000       1.700000      0.5568000     -0.1425000      0.7671000
  1 1 1      12   15   13 o    5.800000      0.1915000       5.866000 0.2604000       5.733000      0.2809000      0.1330000      0.3830000
  1 1 1      12   15   14 o    1.454000      0.4054000       1.570000 0.5923000       1.338000      0.5538000      0.2319000      0.8109000
  1 1 1      12   15   15 o    2.903000      0.3969000       2.548000 0.6434000       3.258000      0.4651000     -0.7103000      0.7939000
  1 1 1      12   15   16 o    3.709000      0.3515000       3.365000 0.5307000       4.054000      0.4609000     -0.6891000      0.7029000
  1 1 1      12   15   17 o    1.981000      0.5625000       2.058000 0.8172000       1.905000      0.7732000      0.1535000       1.125000
  1 1 1      12   15   18 o    2.530000      0.5128000       2.269000 0.7519000       2.791000      0.6974000     -0.5217000       1.026000
  1 1 1      12   15   19 o    5.522000      0.2880000       5.823000 0.3915000       5.221000      0.4224000      0.6027000      0.5760000
  1 1 1      12   15   20 o    2.655000      0.4467000       2.117000 0.6981000       3.194000      0.5574000      -1.078000      0.8933000
  1 1 1      12   15   21 o    6.328000      0.2550000       6.872000 0.3580000       5.784000      0.3632000       1.089000      0.5100000
  1 1 1      12   15   22 o    3.786000      0.3496000       3.662000 0.5281000       3.910000      0.4582000     -0.2479000      0.6992000
  1 1 1      12   15   23 o    2.232000      0.5176000       2.181000 0.7667000       2.284000      0.6956000     -0.1028000       1.035000
  1 1 1      12   15   24 o    5.018000      0.3465000       4.671000 0.5637000       5.365000      0.4033000     -0.6931000      0.6931000
  1 1 1      12   15   25 o    8.540000      0.2739000       8.665000 0.4218000       8.415000      0.3496000      0.2504000      0.5478000
  1 1 1      12   15   26 o    6.119000      0.3068000       6.445000 0.4446000       5.794000      0.4229000      0.6512000      0.6136000
  1 1 1      12   15   27 o    4.279000      0.4067000       4.557000 0.5995000       4.001000      0.5497000      0.5556000      0.8134000
  1 1 1      12   15   28 o    5.697000      0.3675000       4.923000 0.6214000       6.472000      0.3926000      -1.549000      0.7350000
  1 1 1      12   15   29 o    4.067000      0.4807000       4.480000 0.7003000       3.654000      0.6587000      0.8259000      0.9615000
  1 1 1      12   15   30 o    3.506000      0.5492000       3.563000 0.8179000       3.449000      0.7330000      0.1138000       1.098000
  1 1 1      12   15   31 o    2.816000      0.5788000       2.985000 0.8507000       2.646000      0.7852000      0.3390000       1.158000
  1 1 1      12   15   32 o    2.354000      0.5544000       1.826000 0.7937000       2.882000      0.7742000      -1.056000       1.109000
  1 1 1      12   15   33 o    3.764000      0.4878000       3.895000 0.6955000       3.632000      0.6843000      0.2630000      0.9757000
  1 1 1      12   15   34 f    4.571000      0.6445000       4.935000 0.8631000       4.206000      0.9575000      0.7292000       1.289000
  1 1 1      12   16    0 o    8.221000      0.1841000       8.259000 0.2590000       8.183000      0.2618000      0.7580000E-01  0.3682000
  1 1 1      12   16    1 o    3.531000      0.2705000       3.459000 0.3912000       3.602000      0.3736000     -0.1424000      0.5409000
  1 1 1      12   16    2 o    7.054000      0.1750000       6.884000 0.2499000       7.224000      0.2452000     -0.3398000      0.3501000
  1 1 1      12   16    3 o    4.557000      0.1952000       4.367000 0.2881000       4.748000      0.2634000     -0.3808000      0.3904000
  1 1 1      12   16    4 o    8.084000      0.1651000       8.132000 0.2335000       8.036000      0.2334000      0.9632000E-01  0.3301000
  1 1 1      12   16    5 o    3.951000      0.1949000       3.740000 0.2857000       4.163000      0.2653000     -0.4222000      0.3899000
  1 1 1      12   16    6 o    3.550000      0.2027000       3.623000 0.2698000       3.476000      0.3025000      0.1465000      0.4053000
  1 1 1      12   16    7 o    8.352000      0.2132000       8.352000 0.2132000                  ?              ?              ?              ?
  1 1 1      12   16    8 o    4.735000      0.1688000       4.776000 0.2228000       4.693000      0.2536000      0.8334000E-01  0.3376000
  1 1 1      12   16    9 f    4.464000      0.2967000                  ?       ?   4.464000      0.2967000                  ?              ?
  1 1 1      12   16   10 o    2.364000      0.3451000       2.372000 0.4271000       2.355000      0.5422000      0.1700000E-01  0.6902000
  1 1 1      12   16   11 f    6.127000      0.1921000       6.043000 0.2527000       6.211000      0.2895000     -0.1682000      0.3843000
  1 1 1      12   16   12 o    2.071000      0.3808000       2.081000 0.5174000       2.061000      0.5588000      0.2045000E-01  0.7616000
  1 1 1      12   16   13 o    1.457000      0.3782000       1.140000 0.5021000       1.774000      0.5656000     -0.6333000      0.7564000
  1 1 1      12   16   14 o    2.846000      0.4068000       3.097000 0.5379000       2.595000      0.6103000      0.5020000      0.8135000
  1 1 1      12   16   15 o    3.538000      0.3619000       3.469000 0.5428000       3.606000      0.4787000     -0.1375000      0.7237000
  1 1 1      12   16   16 o    3.111000      0.4733000       3.005000 0.7268000       3.218000      0.6064000     -0.2135000      0.9466000
  1 1 1      12   16   17 o    6.666000      0.3157000       7.339000 0.4464000       5.994000      0.4464000       1.344000      0.6313000
  1 1 1      12   16   18 o    9.670000      0.2454000       9.858000 0.3651000       9.482000      0.3281000      0.3759000      0.4909000
  1 1 1      12   16   19 o    9.508000      0.2549000       9.903000 0.3872000       9.112000      0.3317000      0.7911000      0.5099000
  1 1 1      12   16   20 o    6.016000      0.2834000       6.210000 0.3922000       5.822000      0.4091000      0.3877000      0.5667000
  1 1 1      12   16   21 o    3.600000      0.4207000       3.673000 0.5846000       3.527000      0.6050000      0.1460000      0.8413000
  1 1 1      12   16   22 o    2.900000      0.4659000       3.015000 0.6698000       2.784000      0.6478000      0.2315000      0.9318000
  1 1 1      12   16   23 o    6.291000      0.2703000       6.417000 0.3936000       6.164000      0.3707000      0.2527000      0.5406000
  1 1 1      12   16   24 o    4.142000      0.3751000       4.278000 0.5358000       4.007000      0.5251000      0.2716000      0.7502000
  1 1 1      12   16   25 o    4.248000      0.3946000       3.926000 0.6156000       4.569000      0.4938000     -0.6429000      0.7892000
  1 1 1      12   16   26 o    3.256000      0.5170000       3.290000 0.8074000       3.222000      0.6458000      0.6793000E-01   1.034000
  1 1 1      12   16   27 o    6.128000      0.3160000       6.470000 0.4665000       5.786000      0.4263000      0.6834000      0.6319000
  1 1 1      12   16   28 o    5.483000      0.3835000       5.049000 0.6336000       5.917000      0.4322000     -0.8686000      0.7670000
  1 1 1      12   16   29 o    2.646000      0.5885000       3.505000 0.9041000       1.787000      0.7536000       1.718000       1.177000
  1 1 1      12   16   30 o    3.117000      0.5474000       2.255000 0.8922000       3.979000      0.6343000      -1.725000       1.095000
  1 1 1      12   16   31 o    2.767000      0.7008000       3.006000 0.8967000       2.527000       1.077000      0.4790000       1.402000
  1 1 1      12   16   32 o    2.112000      0.6534000       2.203000 0.9463000       2.022000      0.9013000      0.1820000       1.307000
  1 1 1      12   16   33 o    3.020000      0.6859000       2.073000 0.9294000       3.966000       1.009000      -1.894000       1.372000
  1 1 1      12   16   34 o    3.486000      0.5259000       2.873000 0.8382000       4.099000      0.6353000      -1.226000       1.052000
  1 1 1      12   17    0 o    4.985000      0.2156000       4.673000 0.3177000       5.296000      0.2916000     -0.6225000      0.4312000
  1 1 1      12   17    1 o    2.620000      0.3325000       2.857000 0.4245000       2.383000      0.5118000      0.4739000      0.6649000
  1 1 1      12   17    2 o    7.238000      0.1749000       7.280000 0.2454000       7.197000      0.2493000      0.8321000E-01  0.3498000
  1 1 1      12   17    3 o    11.98000      0.1935000       11.67000 0.2690000       12.29000      0.2783000     -0.6138000      0.3870000
  1 1 1      12   17    4 o    9.751000      0.1717000       9.867000 0.2418000       9.635000      0.2438000      0.2317000      0.3434000
  1 1 1      12   17    5 o    3.968000      0.2000000       4.004000 0.2777000       3.932000      0.2880000      0.7185000E-01  0.4001000
  1 1 1      12   17    6 o    7.544000      0.1555000       7.412000 0.2154000       7.676000      0.2243000     -0.2640000      0.3109000
  1 1 1      12   17    7 o    5.368000      0.1637000       5.265000 0.2266000       5.470000      0.2364000     -0.2047000      0.3274000
  1 1 1      12   17    8 o    6.757000      0.1632000       6.552000 0.2180000       6.962000      0.2429000     -0.4099000      0.3264000
  1 1 1      12   17    9 o    6.339000      0.1690000       6.162000 0.2211000       6.517000      0.2557000     -0.3550000      0.3380000
  1 1 1      12   17   10 o    9.502000      0.1936000       9.450000 0.2544000       9.554000      0.2918000     -0.1049000      0.3871000
  1 1 1      12   17   11 f    3.764000      0.2450000       3.382000 0.3617000       4.146000      0.3306000     -0.7641000      0.4900000
  1 1 1      12   17   12 o    3.596000      0.2555000       3.849000 0.3298000       3.344000      0.3903000      0.5059000      0.5110000
  1 1 1      12   17   13 o    4.351000      0.2550000       4.167000 0.3622000       4.535000      0.3591000     -0.3684000      0.5100000
  1 1 1      12   17   14 o    6.585000      0.2472000       6.609000 0.3630000       6.561000      0.3355000      0.4799000E-01  0.4943000
  1 1 1      12   17   15 f    3.214000      0.4754000       3.231000 0.7208000       3.198000      0.6199000      0.3262000E-01  0.9507000
  1 1 1      12   17   16 o    2.364000      0.5468000       2.159000 0.8234000       2.570000      0.7197000     -0.4105000       1.094000
  1 1 1      12   17   17 o    12.38000      0.2824000       12.49000 0.3999000       12.27000      0.3989000      0.2174000      0.5648000
  1 1 1      12   17   18 o    8.404000      0.2837000       8.603000 0.4196000       8.206000      0.3818000      0.3970000      0.5673000
  1 1 1      12   17   19 o    5.030000      0.3674000       5.268000 0.4883000       4.792000      0.5490000      0.4761000      0.7348000
  1 1 1      12   17   20 o    1.860000      0.5185000       1.486000 0.6749000       2.233000      0.7875000     -0.7461000       1.037000
  1 1 1      12   17   21 o    7.222000      0.2702000       7.377000 0.3922000       7.067000      0.3718000      0.3096000      0.5405000
  1 1 1      12   17   22 o    7.413000      0.2660000       7.406000 0.3893000       7.421000      0.3625000     -0.1568000E-01  0.5319000
  1 1 1      12   17   23 o    6.288000      0.2832000       6.036000 0.4193000       6.540000      0.3807000     -0.5036000      0.5664000
  1 1 1      12   17   24 o    7.161000      0.2754000       6.795000 0.4054000       7.527000      0.3731000     -0.7321000      0.5509000
  1 1 1      12   17   25 o    5.845000      0.3085000       6.001000 0.4527000       5.689000      0.4192000      0.3121000      0.6170000
  1 1 1      12   17   26 o    6.854000      0.2928000       6.916000 0.4285000       6.792000      0.3992000      0.1232000      0.5856000
  1 1 1      12   17   27 o    5.264000      0.4119000       5.063000 0.6286000       5.466000      0.5325000     -0.4030000      0.8238000
  1 1 1      12   17   28 o    6.143000      0.6777000       5.238000 1.170000       7.048000      0.6841000      -1.810000       1.355000
  1 1 1      12   17   29 o    2.379000      0.7547000       2.662000 1.168000       2.097000      0.9559000      0.5650000       1.509000
  1 1 1      12   17   30 f    6.321000      0.6699000       4.913000 1.139000       7.729000      0.7058000      -2.817000       1.340000
  1 1 1      12   17   31 o    6.720000      0.3490000       6.514000 0.5353000       6.926000      0.4480000     -0.4122000      0.6980000
  1 1 1      12   17   32 o    2.234000      0.5781000       2.985000 0.9237000       1.484000      0.6955000       1.501000       1.156000
  1 1 1      12   17   33 o    2.167000      0.5855000       1.848000 0.7892000       2.487000      0.8652000     -0.6392000       1.171000
  1 1 1      12   18    0 o    2.930000      0.3055000       2.980000 0.4359000       2.879000      0.4281000      0.1001000      0.6109000
  1 1 1      12   18    1 o    7.366000      0.1798000       7.338000 0.2537000       7.394000      0.2548000     -0.5611000E-01  0.3596000
  1 1 1      12   18    2 f    7.809000      0.1764000       7.861000 0.2455000       7.756000      0.2533000      0.1053000      0.3528000
  1 1 1      12   18    3 o    9.392000      0.1732000       9.305000 0.2420000       9.479000      0.2479000     -0.1740000      0.3464000
  1 1 1      12   18    4 o    6.491000      0.1637000       6.599000 0.2259000       6.383000      0.2369000      0.2167000      0.3273000
  1 1 1      12   18    5 o    2.337000      0.3234000       2.055000 0.4870000       2.619000      0.4258000     -0.5630000      0.6469000
  1 1 1      12   18    6 o    1.796000      0.3567000       1.832000 0.4820000       1.760000      0.5261000      0.7265000E-01  0.7135000
  1 1 1      12   18    7 o    4.008000      0.2148000       4.037000 0.2723000       3.979000      0.3322000      0.5769000E-01  0.4296000
  1 1 1      12   18    8 o    2.771000      0.3137000       3.077000 0.3455000       2.465000      0.5236000      0.6124000      0.6274000
  1 1 1      12   18    9 o    4.046000      0.2331000       4.211000 0.2799000       3.881000      0.3729000      0.3300000      0.4663000
  1 1 1      12   18   10 o    11.40000      0.2159000       11.23000 0.2821000       11.56000      0.3269000     -0.3363000      0.4318000
  1 1 1      12   18   11 f    1.229000      0.3728000       1.291000 0.5308000       1.168000      0.5236000      0.1223000      0.7456000
  1 1 1      12   18   12 o    1.484000      0.4135000       1.615000 0.5902000       1.353000      0.5792000      0.2615000      0.8269000
  1 1 1      12   18   13 o    8.439000      0.2283000       8.245000 0.3232000       8.633000      0.3226000     -0.3885000      0.4567000
  1 1 1      12   18   14 o    5.753000      0.2903000       5.592000 0.4474000       5.913000      0.3701000     -0.3213000      0.5806000
  1 1 1      12   18   15 o    7.321000      0.2633000       7.362000 0.3886000       7.280000      0.3554000      0.8209000E-01  0.5266000
  1 1 1      12   18   16 o    10.32000      0.2714000       10.28000 0.3792000       10.37000      0.3884000     -0.8927000E-01  0.5428000
  1 1 1      12   18   17 o    7.719000      0.3423000       7.269000 0.5036000       8.170000      0.4636000     -0.9011000      0.6845000
  1 1 1      12   18   18 o    4.161000      0.5510000       4.494000 0.7305000       3.827000      0.8252000      0.6677000       1.102000
  1 1 1      12   18   19 o    5.009000      0.3879000       4.635000 0.5868000       5.383000      0.5074000     -0.7482000      0.7758000
  1 1 1      12   18   20 o    5.565000      0.3618000       5.296000 0.5074000       5.834000      0.5159000     -0.5384000      0.7236000
  1 1 1      12   18   21 o    8.734000      0.2717000       9.206000 0.3988000       8.261000      0.3691000      0.9446000      0.5434000
  1 1 1      12   18   22 o    9.986000      0.2808000       10.30000 0.4142000       9.669000      0.3791000      0.6325000      0.5615000
  1 1 1      12   18   23 o    3.187000      0.4782000       2.265000 0.7925000       4.108000      0.5353000      -1.843000      0.9563000
  1 1 1      12   18   24 o    2.626000      0.8293000       2.456000 1.116000       2.795000       1.227000     -0.3393000       1.659000
  1 1 1      12   18   25 o    3.262000      0.9119000       3.517000 1.314000       3.007000       1.265000      0.5105000       1.824000
  1 1 1      12   18   26 f    4.211000      0.8518000       2.940000 1.252000       5.483000       1.155000      -2.542000       1.704000
  1 1 1      12   18   27 o    2.469000      0.6648000       2.392000 1.132000       2.547000      0.6981000     -0.1551000       1.330000
  1 1 1      12   18   28 o    4.710000      0.4458000       4.794000 0.6864000       4.627000      0.5690000      0.1666000      0.8916000
  1 1 1      12   18   29 o    1.565000      0.5116000       1.999000 0.8563000       1.130000      0.5602000      0.8686000       1.023000
  1 1 1      12   18   30 o    6.896000      0.4056000       7.022000 0.6708000       6.770000      0.4562000      0.2518000      0.8113000
  1 1 1      12   18   31 o    4.518000      0.6096000       4.122000 1.004000       4.915000      0.6921000     -0.7930000       1.219000
  1 1 1      12   18   32 o    2.390000      0.6875000       2.806000 1.078000       1.975000      0.8533000      0.8304000       1.375000
  1 1 1      12   18   33 o    2.678000      0.6281000       2.271000 0.8847000       3.085000      0.8918000     -0.8141000       1.256000
  1 1 1      12   19    0 o    9.962000      0.2816000       10.12000 0.3795000       9.801000      0.4161000      0.3207000      0.5632000
  1 1 1      12   19    1 o    4.477000      0.3733000       3.886000 0.5130000       5.069000      0.5423000      -1.184000      0.7465000
  1 1 1      12   19    2 o    11.50000      0.2916000       11.30000 0.3924000       11.71000      0.4313000     -0.4028000      0.5831000
  1 1 1      12   19    3 o    4.356000      0.3056000       4.092000 0.3160000       4.619000      0.5230000     -0.5272000      0.6111000
  1 1 1      12   19    4 o    3.189000      0.2607000       3.065000 0.3822000       3.313000      0.3545000     -0.2477000      0.5213000
  1 1 1      12   19    5 o    2.261000      0.3271000       2.638000 0.3772000       1.885000      0.5345000      0.7523000      0.6542000
  1 1 1      12   19    6 o    5.662000      0.1740000       5.679000 0.2363000       5.645000      0.2554000      0.3428000E-01  0.3480000
  1 1 1      12   19    7 o    5.899000      0.1853000       5.845000 0.2385000       5.953000      0.2838000     -0.1076000      0.3707000
  1 1 1      12   19    8 o    3.508000      0.2329000       3.450000 0.3218000       3.567000      0.3367000     -0.1174000      0.4658000
  1 1 1      12   19    9 o    6.958000      0.1951000       7.109000 0.2508000       6.806000      0.2989000      0.3034000      0.3902000
  1 1 1      12   19   10 o    8.282000      0.2030000       8.401000 0.2709000       8.163000      0.3025000      0.2387000      0.4061000
  1 1 1      12   19   11 o    6.992000      0.2202000       6.789000 0.2993000       7.194000      0.3230000     -0.4051000      0.4404000
  1 1 1      12   19   12 o    3.367000      0.3444000       3.148000 0.4744000       3.585000      0.4995000     -0.4362000      0.6889000
  1 1 1      12   19   13 o    7.203000      0.2608000       6.894000 0.3822000       7.512000      0.3549000     -0.6182000      0.5216000
  1 1 1      12   19   14 o    3.952000      0.4184000       3.984000 0.6370000       3.920000      0.5427000      0.6392000E-01  0.8368000
  1 1 1      12   19   15 o    7.379000      0.2818000       7.357000 0.4208000       7.402000      0.3750000     -0.4472000E-01  0.5636000
  1 1 1      12   19   16 o    7.332000      0.3266000       6.706000 0.5046000       7.957000      0.4148000      -1.252000      0.6532000
  1 1 1      12   19   17 o    4.377000      0.5894000       4.596000 0.8727000       4.157000      0.7926000      0.4389000       1.179000
  1 1 1      12   19   18 o    5.873000      0.3987000       5.536000 0.5941000       6.209000      0.5318000     -0.6736000      0.7973000
  1 1 1      12   19   19 o    4.224000      0.9587000       4.191000 1.530000       4.257000       1.155000     -0.6550000E-01   1.917000
  1 1 1      12   19   22 o    3.610000      0.9484000       2.522000 1.156000       4.698000       1.504000      -2.176000       1.897000
  1 1 1      12   19   23 o    2.454000      0.5264000       1.859000 0.7463000       3.049000      0.7426000      -1.190000       1.053000
  1 1 1      12   19   24 o    3.078000      0.5491000       3.416000 0.7721000       2.741000      0.7809000      0.6750000       1.098000
  1 1 1      12   19   25 o    4.567000      0.4317000       4.013000 0.6974000       5.121000      0.5090000      -1.108000      0.8634000
  1 1 1      12   19   26 o    2.669000      0.6024000       2.717000 0.8937000       2.621000      0.8080000      0.9607000E-01   1.205000
  1 1 1      12   19   27 o    4.777000      0.5002000       4.388000 0.8677000       5.165000      0.4979000     -0.7778000       1.000000
  1 1 1      12   19   28 o    3.703000      0.6388000       3.437000 1.017000       3.969000      0.7728000     -0.5320000       1.278000
  1 1 1      12   19   29 o    2.262000      0.6271000       1.899000 0.8795000       2.625000      0.8941000     -0.7269000       1.254000
  1 1 1      12   19   30 o    2.249000      0.6168000       1.976000 0.8665000       2.523000      0.8781000     -0.5471000       1.234000
  1 1 1      12   19   31 o    1.995000      0.5992000       1.768000 0.8174000       2.223000      0.8764000     -0.4548000       1.198000
  1 1 1      12   19   32 o    2.128000      0.6265000       2.378000 0.9478000       1.879000      0.8195000      0.4988000       1.253000
  1 1 1      12   20    0 o    2.139000      0.3688000       1.432000 0.5732000       2.846000      0.4641000      -1.414000      0.7375000
  1 1 1      12   20    1 o    4.440000      0.2118000       4.346000 0.3132000       4.535000      0.2853000     -0.1887000      0.4237000
  1 1 1      12   20    2 o    2.130000      0.3687000       1.643000 0.5731000       2.617000      0.4639000     -0.9741000      0.7373000
  1 1 1      12   20    3 o    5.886000      0.1815000       5.961000 0.2548000       5.810000      0.2585000      0.1510000      0.3630000
  1 1 1      12   20    4 o    10.22000      0.2213000       10.83000 0.3681000       9.603000      0.2457000       1.230000      0.4426000
  1 1 1      12   20    5 o    4.250000      0.3199000       4.213000 0.3776000       4.286000      0.5165000     -0.7364000E-01  0.6399000
  1 1 1      12   20    6 o    4.961000      0.2746000       4.632000 0.3745000       5.289000      0.4017000     -0.6561000      0.5492000
  1 1 1      12   20    7 o    5.545000      0.2580000       5.645000 0.3334000       5.446000      0.3938000      0.1996000      0.5160000
  1 1 1      12   20    8 o    7.208000      0.3133000       7.208000 0.3133000                  ?              ?              ?              ?
  1 1 1      12   20    9 o    4.825000      0.2602000       4.751000 0.3515000       4.898000      0.3838000     -0.1468000      0.5205000
  1 1 1      12   20   10 o    1.265000      0.5830000                  ?       ?   1.265000      0.5830000                  ?              ?
  1 1 1      12   20   11 o    3.216000      0.3824000       3.306000 0.5041000       3.126000      0.5750000      0.1803000      0.7647000
  1 1 1      12   20   12 o    2.792000      0.4743000       2.578000 0.6982000       3.005000      0.6422000     -0.4276000      0.9486000
  1 1 1      12   20   13 o    2.430000      0.5392000       2.051000 0.7770000       2.808000      0.7478000     -0.7577000       1.078000
  1 1 1      12   20   14 o    2.559000      0.5805000       2.289000 0.8495000       2.830000      0.7915000     -0.5401000       1.161000
  1 1 1      12   20   15 o    4.018000      0.5033000       3.562000 0.8266000       4.474000      0.5744000     -0.9125000       1.007000
  1 1 1      12   20   16 o    1.990000      0.6307000       2.436000 1.033000       1.545000      0.7238000      0.8913000       1.261000
  1 1 1      12   20   17 o    8.954000      0.3395000       8.321000 0.5124000       9.587000      0.4454000      -1.266000      0.6790000
  1 1 1      12   20   18 o    4.000000      0.6482000       4.416000 0.8846000       3.583000      0.9478000      0.8325000       1.296000
  1 1 1      12   20   19 o    1.978000      0.5819000       1.696000 0.7631000       2.260000      0.8787000     -0.5646000       1.164000
  1 1 1      12   20   20 f    2.495000      0.6303000       2.144000 0.8506000       2.845000      0.9303000     -0.7014000       1.261000
  1 1 1      12   20   21 o    2.763000      0.5972000       3.172000 0.8242000       2.355000      0.8644000      0.8176000       1.194000
  1 1 1      12   20   22 o    2.077000      0.5534000       1.655000 0.7426000       2.500000      0.8208000     -0.8443000       1.107000
  1 1 1      12   20   23 o    5.312000      0.3946000       5.459000 0.5783000       5.166000      0.5371000      0.2922000      0.7892000
  1 1 1      12   20   24 o    2.253000      0.6007000       2.442000 0.9018000       2.064000      0.7939000      0.3775000       1.201000
  1 1 1      12   20   25 o    2.486000      0.5717000       1.917000 0.8223000       3.054000      0.7945000      -1.137000       1.143000
  1 1 1      12   20   26 o    2.366000      0.6111000       1.956000 0.8550000       2.776000      0.8733000     -0.8200000       1.222000
  1 1 1      12   20   27 o    2.478000      0.6372000       2.424000 0.9314000       2.532000      0.8699000     -0.1079000       1.274000
  1 1 1      12   20   28 o    1.893000      0.5882000       1.981000 0.8721000       1.806000      0.7896000      0.1756000       1.176000
  1 1 1      12   20   29 o    2.236000      0.6412000       2.223000 0.9408000       2.250000      0.8715000     -0.2716000E-01   1.282000
  1 1 1      12   20   30 f    4.530000      0.5471000       4.551000 0.8325000       4.509000      0.7100000      0.4151000E-01   1.094000
  1 1 1      12   20   31 o    4.085000      0.5876000       3.813000 0.9274000       4.356000      0.7217000     -0.5437000       1.175000
  1 1 1      12   20   32 o    1.594000      0.5341000       1.791000 0.8224000       1.397000      0.6818000      0.3942000       1.068000
  1 1 1      12   21    0 o    6.169000      0.2373000       6.167000 0.3651000       6.170000      0.3033000     -0.2537000E-02  0.4746000
  1 1 1      12   21    1 o    8.627000      0.2319000       8.544000 0.3398000       8.711000      0.3157000     -0.1672000      0.4638000
  1 1 1      12   21    2 o    6.416000      0.2343000       6.511000 0.3447000       6.321000      0.3174000      0.1903000      0.4686000
  1 1 1      12   21    3 o    2.246000      0.4010000       1.841000 0.6291000       2.652000      0.4976000     -0.8105000      0.8021000
  1 1 1      12   21    4 o    3.726000      0.2714000       3.637000 0.4376000       3.815000      0.3211000     -0.1777000      0.5427000
  1 1 1      12   21    5 o    1.309000      0.3655000      0.9033000 0.4251000       1.715000      0.5946000     -0.8118000      0.7309000
  1 1 1      12   21    6 o    2.679000      0.3731000       3.009000 0.3924000       2.349000      0.6346000      0.6605000      0.7461000
  1 1 1      12   21    7 o    6.094000      0.1989000       6.593000 0.2442000       5.595000      0.3141000      0.9980000      0.3979000
  1 1 1      12   21    8 o    8.744000      0.2707000       8.744000 0.2707000                  ?              ?              ?              ?
  1 1 1      12   21    9 o    5.854000      0.2434000       5.643000 0.3193000       6.064000      0.3675000     -0.4212000      0.4869000
  1 1 1      12   21   10 o    3.388000      0.5779000                  ?       ?   3.388000      0.5779000                  ?              ?
  1 1 1      12   21   11 o    10.70000      0.2498000       10.76000 0.3403000       10.64000      0.3657000      0.1131000      0.4996000
  1 1 1      12   21   12 o    6.756000      0.2649000       7.036000 0.3709000       6.475000      0.3782000      0.5612000      0.5297000
  1 1 1      12   21   13 o    2.796000      0.5733000       2.725000 0.8369000       2.867000      0.7837000     -0.1421000       1.147000
  1 1 1      12   21   14 o    5.165000      0.3951000       4.646000 0.6384000       5.684000      0.4657000      -1.038000      0.7902000
  1 1 1      12   21   15 o    4.846000      0.3896000       4.732000 0.5808000       4.961000      0.5195000     -0.2293000      0.7793000
  1 1 1      12   21   16 o    5.146000      0.9960000       5.126000 1.084000       5.166000       1.671000     -0.3961000E-01   1.992000
  1 1 1      12   21   17 o    3.624000      0.9488000       3.421000 1.171000       3.828000       1.493000     -0.4069000       1.898000
  1 1 1      12   21   18 o    2.285000      0.7348000       2.218000 0.9819000       2.352000       1.094000     -0.1338000       1.470000
  1 1 1      12   21   19 o    4.498000      0.5831000       4.653000 0.7444000       4.343000      0.8978000      0.3100000       1.166000
  1 1 1      12   21   20 o    6.433000      0.4133000       6.205000 0.5595000       6.662000      0.6083000     -0.4572000      0.8265000
  1 1 1      12   21   21 o    3.080000      0.6670000       3.220000 0.9435000       2.940000      0.9431000      0.2807000       1.334000
  1 1 1      12   21   22 o    3.489000      0.5272000       4.430000 0.6752000       2.549000      0.8098000       1.880000       1.054000
  1 1 1      12   21   23 o    2.586000      0.5974000       2.274000 0.8564000       2.898000      0.8332000     -0.6237000       1.195000
  1 1 1      12   21   24 f    3.126000      0.5899000       3.184000 0.8733000       3.068000      0.7933000      0.1160000       1.180000
  1 1 1      12   21   25 o    4.544000      0.4484000       4.605000 0.7016000       4.482000      0.5585000      0.1231000      0.8968000
  1 1 1      12   21   26 o    2.556000      0.6150000       3.146000 0.9199000       1.966000      0.8166000       1.179000       1.230000
  1 1 1      12   21   27 o    4.214000      0.5502000       4.430000 0.8108000       3.999000      0.7439000      0.4306000       1.100000
  1 1 1      12   21   28 o    2.327000      0.6111000       1.735000 0.8040000       2.918000      0.9204000      -1.183000       1.222000
  1 1 1      12   21   29 o    1.853000      0.5912000       2.009000 0.8863000       1.697000      0.7826000      0.3117000       1.182000
  1 1 1      12   21   30 o    2.862000      0.7227000       2.876000 1.005000       2.848000       1.039000      0.2836000E-01   1.445000
  1 1 1      12   21   31 o    2.399000      0.6554000       2.256000 0.9375000       2.542000      0.9163000     -0.2858000       1.311000
  1 1 1      12   22    0 o    7.860000      0.1857000       7.827000 0.2642000       7.893000      0.2610000     -0.6555000E-01  0.3714000
  1 1 1      12   22    1 o    7.569000      0.1860000       7.816000 0.2593000       7.321000      0.2667000      0.4954000      0.3720000
  1 1 1      12   22    2 o    5.893000      0.1985000       5.809000 0.2695000       5.976000      0.2915000     -0.1663000      0.3970000
  1 1 1      12   22    3 o    1.265000      0.3673000       1.579000 0.5736000      0.9503000      0.4591000      0.6289000      0.7347000
  1 1 1      12   22    4 o    4.390000      0.2309000       4.516000 0.3043000       4.263000      0.3473000      0.2531000      0.4618000
  1 1 1      12   22    5 o    3.315000      0.3379000       3.246000 0.4129000       3.384000      0.5351000     -0.1386000      0.6759000
  1 1 1      12   22    6 o    4.359000      0.2653000       4.356000 0.3353000       4.361000      0.4111000     -0.5436000E-02  0.5305000
  1 1 1      12   22    7 o    7.388000      0.3168000       7.714000 0.2663000       7.063000      0.5750000      0.6514000      0.6337000
  1 1 1      12   22    8 o    10.01000      0.4386000       9.821000 0.2914000       10.20000      0.8273000     -0.3776000      0.8771000
  1 1 1      12   22    9 o    7.398000      0.7398000       8.534000 0.6056000       6.263000       1.350000       2.272000       1.480000
  1 1 1      12   22   10 o    4.723000       1.096000       3.560000 1.125000       5.885000       1.881000      -2.324000       2.192000
  1 1 1      12   22   11 o    6.005000       1.218000       5.290000 0.4048000       6.720000       2.402000      -1.430000       2.435000
  1 1 1      12   22   12 o    2.320000      0.5533000       2.378000 0.8176000       2.262000      0.7455000      0.1153000       1.107000
  1 1 1      12   22   13 o    4.262000      0.4935000       3.837000 0.8012000       4.687000      0.5764000     -0.8491000      0.9869000
  1 1 1      12   22   14 o    7.953000      0.3010000       7.822000 0.4409000       8.085000      0.4099000     -0.2630000      0.6020000
  1 1 1      12   22   15 o    5.730000      0.3861000       5.952000 0.5683000       5.509000      0.5227000      0.4425000      0.7721000
  1 1 1      12   22   16 o    2.073000      0.6146000       1.672000 0.7935000       2.474000      0.9387000     -0.8017000       1.229000
  1 1 1      12   22   17 o    6.640000      0.4667000       6.739000 0.6890000       6.541000      0.6296000      0.1979000      0.9333000
  1 1 1      12   22   18 o    3.056000      0.6773000       2.264000 0.9681000       3.849000      0.9476000      -1.585000       1.355000
  1 1 1      12   22   19 o    1.925000      0.5806000       2.329000 0.9087000       1.520000      0.7229000      0.8087000       1.161000
  1 1 1      12   22   20 o    2.410000      0.7135000       2.224000 0.8970000       2.596000       1.110000     -0.3723000       1.427000
  1 1 1      12   22   21 o    1.996000      0.5962000       2.068000 0.8552000       1.924000      0.8310000      0.1444000       1.192000
  1 1 1      12   22   22 o    3.590000      0.5624000       3.252000 0.8972000       3.928000      0.6783000     -0.6764000       1.125000
  1 1 1      12   22   23 o    5.163000      0.4320000       4.719000 0.6835000       5.608000      0.5285000     -0.8890000      0.8640000
  1 1 1      12   22   24 f    3.753000      0.5488000       3.707000 0.8417000       3.799000      0.7044000     -0.9172000E-01   1.098000
  1 1 1      12   22   25 o    1.664000      0.5389000       1.657000 0.7707000       1.671000      0.7535000     -0.1444000E-01   1.078000
  1 1 1      12   22   26 f    2.764000      0.5612000       1.785000 0.8163000       3.743000      0.7702000      -1.958000       1.122000
  1 1 1      12   22   27 o    3.776000      0.6169000       3.492000 0.9416000       4.059000      0.7973000     -0.5671000       1.234000
  1 1 1      12   22   28 o    2.153000      0.6400000       2.031000 0.8943000       2.275000      0.9158000     -0.2448000       1.280000
  1 1 1      12   22   29 o    2.127000      0.6361000       1.905000 0.8686000       2.349000      0.9296000     -0.4445000       1.272000
  1 1 1      12   22   30 o    2.891000      0.6585000       3.820000 0.9993000       1.962000      0.8579000       1.857000       1.317000
  1 1 1      12   23    0 o    7.384000      0.1967000       7.088000 0.2783000       7.679000      0.2782000     -0.5915000      0.3935000
  1 1 1      12   23    1 o    5.964000      0.2075000       5.767000 0.2968000       6.161000      0.2901000     -0.3939000      0.4151000
  1 1 1      12   23    2 o    6.298000      0.1945000       6.165000 0.2702000       6.431000      0.2797000     -0.2658000      0.3889000
  1 1 1      12   23    3 o    1.214000      0.3792000       1.245000 0.5428000       1.182000      0.5297000      0.6390000E-01  0.7584000
  1 1 1      12   23    4 o    6.698000      0.1989000       6.718000 0.2624000       6.678000      0.2991000      0.3990000E-01  0.3979000
  1 1 1      12   23    5 o    6.925000      0.2022000       7.283000 0.2606000       6.568000      0.3094000      0.7145000      0.4045000
  1 1 1      12   23    6 o    5.810000      0.2253000       5.524000 0.2759000       6.097000      0.3561000     -0.5729000      0.4505000
  1 1 1      12   23    7 o    7.468000      0.2283000       7.313000 0.2758000       7.623000      0.3640000     -0.3091000      0.4566000
  1 1 1      12   23    8 o    7.384000      0.2504000       7.043000 0.3372000       7.725000      0.3704000     -0.6822000      0.5009000
  1 1 1      12   23    9 o    2.313000      0.5130000       2.606000 0.6831000       2.019000      0.7655000      0.5869000       1.026000
  1 1 1      12   23   10 o    7.476000      0.2661000       7.585000 0.3632000       7.367000      0.3891000      0.2171000      0.5323000
  1 1 1      12   23   11 o    1.515000      0.4747000       1.452000 0.6597000       1.578000      0.6826000     -0.1258000      0.9493000
  1 1 1      12   23   12 o    3.740000      0.4734000       3.959000 0.6279000       3.522000      0.7085000      0.4372000      0.9467000
  1 1 1      12   23   13 o    4.066000      0.4977000       4.659000 0.6402000       3.474000      0.7623000       1.185000      0.9954000
  1 1 1      12   23   14 o    4.857000      0.4349000       4.936000 0.6115000       4.777000      0.6185000      0.1590000      0.8698000
  1 1 1      12   23   15 o    5.626000      0.4177000       4.921000 0.6692000       6.330000      0.4999000      -1.408000      0.8353000
  1 1 1      12   23   16 o    3.229000      0.7098000       2.956000 1.051000       3.503000      0.9547000     -0.5465000       1.420000
  1 1 1      12   23   17 f    4.751000      0.6374000       4.315000 1.015000       5.187000      0.7712000     -0.8723000       1.275000
  1 1 1      12   23   18 o    2.748000      0.7096000       3.459000 1.089000       2.037000      0.9105000       1.422000       1.419000
  1 1 1      12   23   19 o    1.953000      0.5727000       2.626000 0.9525000       1.281000      0.6362000       1.344000       1.145000
  1 1 1      12   23   20 o    3.653000      0.6275000       3.652000 0.8562000       3.654000      0.9174000     -0.2498000E-02   1.255000
  1 1 1      12   23   21 f    6.170000      0.3972000       5.901000 0.5764000       6.439000      0.5466000     -0.5384000      0.7944000
  1 1 1      12   23   22 o    3.272000      0.6220000       3.887000 0.8407000       2.657000      0.9168000       1.230000       1.244000
  1 1 1      12   23   23 f    5.060000      0.4508000       4.937000 0.6776000       5.183000      0.5947000     -0.2458000      0.9016000
  1 1 1      12   23   24 o    2.778000      0.6406000       3.508000 0.9634000       2.047000      0.8446000       1.461000       1.281000
  1 1 1      12   23   25 o    1.796000      0.5556000       1.403000 0.6870000       2.189000      0.8735000     -0.7859000       1.111000
  1 1 1      12   23   26 o    5.689000      0.4268000       6.114000 0.6094000       5.264000      0.5975000      0.8508000      0.8535000
  1 1 1      12   23   27 o    3.285000      0.6525000       2.591000 1.003000       3.979000      0.8349000      -1.388000       1.305000
  1 1 1      12   23   28 o    2.240000      0.6616000       2.260000 0.9645000       2.219000      0.9059000      0.4152000E-01   1.323000
  1 1 1      12   23   29 o    2.110000      0.6458000       2.281000 0.9643000       1.940000      0.8594000      0.3414000       1.292000
  1 1 1      12   23   30 o    3.147000      0.7309000       3.199000 1.062000       3.096000       1.005000      0.1030000       1.462000
  1 1 1      12   24    0 o    3.379000      0.3524000       3.829000 0.4380000       2.929000      0.5522000      0.8999000      0.7048000
  1 1 1      12   24    1 o    6.802000      0.2104000       6.956000 0.2890000       6.647000      0.3058000      0.3093000      0.4208000
  1 1 1      12   24    2 o    3.780000      0.3096000       4.118000 0.3752000       3.442000      0.4925000      0.6765000      0.6192000
  1 1 1      12   24    3 o    2.323000      0.4751000       2.247000 0.6210000       2.399000      0.7190000     -0.1519000      0.9501000
  1 1 1      12   24    4 o    2.307000      0.4800000       2.606000 0.6015000       2.008000      0.7483000      0.5975000      0.9601000
  1 1 1      12   24    5 o    3.796000      0.3430000       3.346000 0.4884000       4.246000      0.4817000     -0.9003000      0.6859000
  1 1 1      12   24    6 o    1.527000      0.4545000       1.153000 0.5296000       1.901000      0.7388000     -0.7480000      0.9090000
  1 1 1      12   24    7 o    1.341000      0.4401000       1.221000 0.5639000       1.462000      0.6758000     -0.2408000      0.8802000
  1 1 1      12   24    8 o    4.900000      0.3216000       4.510000 0.4513000       5.291000      0.4584000     -0.7814000      0.6433000
  1 1 1      12   24    9 o    5.055000      0.3112000       5.600000 0.3846000       4.511000      0.4892000       1.088000      0.6223000
  1 1 1      12   24   10 o    3.078000      0.4977000       2.535000 0.7714000       3.622000      0.6291000      -1.088000      0.9954000
  1 1 1      12   24   11 o    8.557000      0.2763000       8.760000 0.3854000       8.355000      0.3960000      0.4045000      0.5526000
  1 1 1      12   24   12 o    5.977000      0.3538000       5.535000 0.5424000       6.420000      0.4544000     -0.8849000      0.7076000
  1 1 1      12   24   13 o    9.155000      0.3015000       9.135000 0.4236000       9.175000      0.4291000     -0.3939000E-01  0.6030000
  1 1 1      12   24   14 f    3.951000      0.5320000       4.140000 0.7618000       3.762000      0.7427000      0.3775000       1.064000
  1 1 1      12   24   15 o    7.829000      0.3532000       7.676000 0.5125000       7.983000      0.4861000     -0.3064000      0.7063000
  1 1 1      12   24   16 o    6.060000      0.4539000       5.984000 0.6751000       6.137000      0.6069000     -0.1529000      0.9078000
  1 1 1      12   24   17 f    6.201000      0.4966000       6.090000 0.7662000       6.312000      0.6319000     -0.2224000      0.9932000
  1 1 1      12   24   18 o    3.257000      0.7313000       4.188000 1.080000       2.326000      0.9858000       1.862000       1.463000
  1 1 1      12   24   19 o    2.623000      0.6748000       2.768000 0.9560000       2.479000      0.9526000      0.2891000       1.350000
  1 1 1      12   24   20 o    6.971000      0.3811000       7.075000 0.5304000       6.867000      0.5473000      0.2087000      0.7621000
  1 1 1      12   24   21 o    6.490000      0.4127000       6.031000 0.6055000       6.949000      0.5609000     -0.9179000      0.8253000
  1 1 1      12   24   22 o    4.536000      0.5467000       3.343000 0.9292000       5.729000      0.5763000      -2.386000       1.093000
  1 1 1      12   24   23 o    3.940000      0.5981000       3.500000 0.9471000       4.380000      0.7307000     -0.8796000       1.196000
  1 1 1      12   24   24 o    3.729000      0.6032000       3.208000 0.9714000       4.251000      0.7153000      -1.043000       1.206000
  1 1 1      12   24   25 o    5.086000      0.4948000       5.524000 0.7076000       4.647000      0.6917000      0.8770000      0.9895000
  1 1 1      12   24   26 o    3.942000      0.6650000       4.434000 0.9308000       3.451000      0.9499000      0.9827000       1.330000
  1 1 1      12   24   27 o    3.111000      0.6774000       2.606000 1.013000       3.617000      0.8995000      -1.010000       1.355000
  1 1 1      12   24   28 o    2.956000      0.7200000       3.021000 1.047000       2.892000      0.9882000      0.1298000       1.440000
  1 1 1      12   24   29 o    2.891000      0.6944000       2.464000 0.9961000       3.319000      0.9677000     -0.8549000       1.389000
  1 1 1      12   25    0 o    3.876000      0.3071000       4.202000 0.3907000       3.550000      0.4740000      0.6514000      0.6142000
  1 1 1      12   25    1 o    9.146000      0.1975000       9.279000 0.2716000       9.014000      0.2867000      0.2656000      0.3949000
  1 1 1      12   25    2 o    5.828000      0.2389000       5.967000 0.3228000       5.690000      0.3523000      0.2767000      0.4778000
  1 1 1      12   25    3 o    7.405000      0.2295000       7.556000 0.2984000       7.254000      0.3488000      0.3022000      0.4590000
  1 1 1      12   25    4 o    9.345000      0.2631000       9.392000 0.4155000       9.297000      0.3229000      0.9455000E-01  0.5263000
  1 1 1      12   25    5 o    3.482000      0.4001000       3.275000 0.5186000       3.689000      0.6093000     -0.4145000      0.8001000
  1 1 1      12   25    6 o    1.941000      0.5104000       2.005000 0.6589000       1.877000      0.7798000      0.1281000       1.021000
  1 1 1      12   25    7 o    5.644000      0.3148000       6.060000 0.3522000       5.228000      0.5219000      0.8324000      0.6296000
  1 1 1      12   25    8 o    5.454000      0.2980000       5.461000 0.3765000       5.448000      0.4620000      0.1304000E-01  0.5960000
  1 1 1      12   25    9 o    12.44000      0.3791000       12.44000 0.3791000                  ?              ?              ?              ?
  1 1 1      12   25   10 o    8.358000      0.2773000       8.386000 0.3677000       8.330000      0.4152000      0.5559000E-01  0.5546000
  1 1 1      12   25   12 o    4.154000      0.4971000       4.237000 0.7151000       4.071000      0.6908000      0.1652000      0.9943000
  1 1 1      12   25   13 o    3.089000      0.6109000       2.497000 0.9209000       3.680000      0.8031000      -1.183000       1.222000
  1 1 1      12   25   14 o    5.986000      0.3979000       6.252000 0.5947000       5.720000      0.5288000      0.5318000      0.7958000
  1 1 1      12   25   15 o    10.66000      0.3235000       10.41000 0.4462000       10.90000      0.4684000     -0.4896000      0.6469000
  1 1 1      12   25   16 o    9.138000      0.3467000       9.370000 0.4950000       8.905000      0.4856000      0.4654000      0.6935000
  1 1 1      12   25   17 o    4.434000      0.6867000       5.200000 0.9007000       3.667000       1.037000       1.533000       1.373000
  1 1 1      12   25   18 o    2.491000      0.6761000       1.821000 0.8574000       3.162000       1.045000      -1.342000       1.352000
  1 1 1      12   25   19 o    1.992000      0.6137000       2.183000 0.9012000       1.801000      0.8334000      0.3821000       1.227000
  1 1 1      12   25   20 o    1.891000      0.5968000       2.154000 0.9037000       1.628000      0.7797000      0.5259000       1.194000
  1 1 1      12   25   21 o    2.740000      0.6615000       1.820000 0.8366000       3.660000       1.025000      -1.840000       1.323000
  1 1 1      12   25   22 o    3.132000      0.6947000       3.347000 0.9956000       2.916000      0.9691000      0.4314000       1.389000
  1 1 1      12   25   23 o    2.859000      0.6653000       3.278000 0.9759000       2.440000      0.9044000      0.8384000       1.331000
  1 1 1      12   25   24 o    2.117000      0.6454000       2.242000 0.9648000       1.991000      0.8576000      0.2506000       1.291000
  1 1 1      12   25   25 o    2.861000      0.7275000       3.044000 1.074000       2.678000      0.9810000      0.3660000       1.455000
  1 1 1      12   25   26 o    3.195000      0.7036000       3.814000 1.023000       2.575000      0.9661000       1.239000       1.407000
  1 1 1      12   25   27 o    3.257000      0.7216000       3.665000 1.038000       2.848000       1.002000      0.8167000       1.443000
  1 1 1      12   25   28 o    2.922000      0.7273000       2.467000 1.020000       3.378000       1.037000     -0.9111000       1.455000
  1 1 1      12   26    0 o    1.543000      0.4526000       1.602000 0.6397000       1.484000      0.6404000      0.1179000      0.9052000
  1 1 1      12   26    1 o    4.997000      0.2655000       4.986000 0.3607000       5.008000      0.3896000     -0.2141000E-01  0.5309000
  1 1 1      12   26    2 o    3.633000      0.4155000       3.981000 0.4452000       3.285000      0.7018000      0.6963000      0.8311000
  1 1 1      12   26    3 o    5.959000      0.2811000       6.457000 0.3225000       5.460000      0.4604000      0.9966000      0.5621000
  1 1 1      12   26    4 o    2.330000      0.5104000       2.286000 0.6382000       2.375000      0.7966000     -0.8936000E-01   1.021000
  1 1 1      12   26    5 o    8.408000      0.2452000       8.396000 0.3114000       8.419000      0.3789000     -0.2335000E-01  0.4904000
  1 1 1      12   26    6 o    4.589000      0.3930000       5.161000 0.3812000       4.017000      0.6874000       1.145000      0.7860000
  1 1 1      12   26    7 o    2.888000      0.4460000       4.090000 0.4992000       1.687000      0.7392000       2.403000      0.8920000
  1 1 1      12   26    8 o    2.451000      0.5375000       1.795000 0.7119000       3.107000      0.8055000      -1.312000       1.075000
  1 1 1      12   26   10 o    6.530000      0.3008000       6.787000 0.4243000       6.273000      0.4264000      0.5138000      0.6015000
  1 1 1      12   26   11 o    2.078000      0.8064000                  ?       ?   2.078000      0.8064000                  ?              ?
  1 1 1      12   26   12 o    5.003000      0.4101000       5.443000 0.5886000       4.563000      0.5713000      0.8794000      0.8202000
  1 1 1      12   26   13 o    4.773000      0.4756000       5.089000 0.7022000       4.457000      0.6416000      0.6321000      0.9512000
  1 1 1      12   26   14 o    2.634000      0.6599000       2.747000 0.9653000       2.520000      0.9001000      0.2279000       1.320000
  1 1 1      12   26   15 o    2.441000      0.6686000       2.541000 0.9636000       2.340000      0.9271000      0.2006000       1.337000
  1 1 1      12   26   16 o    5.822000      0.5155000       5.194000 0.7298000       6.450000      0.7283000      -1.256000       1.031000
  1 1 1      12   26   17 o    2.218000      0.6740000       2.123000 0.9355000       2.313000      0.9706000     -0.1903000       1.348000
  1 1 1      12   26   18 o    3.117000      0.7672000       3.582000 1.038000       2.651000       1.130000      0.9309000       1.534000
  1 1 1      12   26   19 o    1.962000      0.6128000       1.671000 0.7770000       2.253000      0.9477000     -0.5824000       1.226000
  1 1 1      12   26   20 o    2.475000      0.6854000       2.204000 0.9221000       2.745000       1.014000     -0.5407000       1.371000
  1 1 1      12   26   21 o    2.551000      0.7023000       2.660000 0.9962000       2.442000      0.9902000      0.2175000       1.405000
  1 1 1      12   26   22 o    2.905000      0.7285000       3.032000 1.053000       2.778000       1.007000      0.2546000       1.457000
  1 1 1      12   26   23 o    2.245000      0.6674000       2.342000 0.9761000       2.148000      0.9105000      0.1938000       1.335000
  1 1 1      12   26   24 o    2.879000      0.7392000       3.129000 1.086000       2.629000       1.003000      0.4997000       1.478000
  1 1 1      12   26   25 o    2.622000      0.7250000       2.523000 1.046000       2.720000       1.004000     -0.1970000       1.450000
  1 1 1      12   26   26 o    2.257000      0.6596000       2.808000 1.047000       1.705000      0.8029000       1.103000       1.319000
  1 1 1      12   26   27 o    2.049000      0.6683000       2.205000 1.004000       1.893000      0.8824000      0.3123000       1.337000
  1 1 1      12   27    0 o    6.543000      0.2427000       6.499000 0.3315000       6.588000      0.3547000     -0.8905000E-01  0.4854000
  1 1 1      12   27    1 o    2.755000      0.4990000       2.803000 0.6354000       2.707000      0.7697000      0.9624000E-01  0.9981000
  1 1 1      12   27    2 o    3.875000      0.3905000       3.636000 0.5188000       4.114000      0.5837000     -0.4776000      0.7809000
  1 1 1      12   27    3 o    4.890000      0.3233000       4.931000 0.4007000       4.848000      0.5074000      0.8331000E-01  0.6465000
  1 1 1      12   27    4 o    1.986000      0.5227000       1.982000 0.6887000       1.990000      0.7866000     -0.7992000E-02   1.045000
  1 1 1      12   27    5 o    4.654000      0.3596000       4.707000 0.4464000       4.601000      0.5638000      0.1063000      0.7191000
  1 1 1      12   27    6 o    10.27000      0.2806000       10.75000 0.3370000       9.799000      0.4488000      0.9457000      0.5612000
  1 1 1      12   27    7 o    4.251000      0.4200000       4.650000 0.4351000       3.853000      0.7186000      0.7964000      0.8400000
  1 1 1      12   27    8 o    2.122000      0.5626000       1.946000 0.7492000       2.298000      0.8394000     -0.3521000       1.125000
  1 1 1      12   27    9 o    5.362000      0.3360000       5.658000 0.4401000       5.066000      0.5078000      0.5911000      0.6720000
  1 1 1      12   27   10 o    4.327000      0.4173000       4.532000 0.5171000       4.123000      0.6551000      0.4085000      0.8345000
  1 1 1      12   27   11 o    5.759000      0.3331000       6.426000 0.4249000       5.092000      0.5130000       1.334000      0.6661000
  1 1 1      12   27   12 o    1.925000      0.5716000       1.598000 0.7493000       2.252000      0.8635000     -0.6533000       1.143000
  1 1 1      12   27   13 o    2.579000      0.6647000       2.569000 0.9674000       2.589000      0.9117000     -0.2038000E-01   1.329000
  1 1 1      12   27   14 o    3.501000      0.6639000       3.694000 0.9462000       3.307000      0.9315000      0.3876000       1.328000
  1 1 1      12   27   15 o    3.625000      0.6804000       3.477000 0.9777000       3.772000      0.9463000     -0.2952000       1.361000
  1 1 1      12   27   16 o    2.523000      0.7003000       2.310000 0.9580000       2.735000       1.022000     -0.4252000       1.401000
  1 1 1      12   27   17 o    4.272000      0.6867000       3.746000 1.036000       4.797000      0.9016000      -1.050000       1.373000
  1 1 1      12   27   18 o    2.625000      0.7360000       2.638000 1.028000       2.611000       1.054000      0.2693000E-01   1.472000
  1 1 1      12   27   19 o    2.403000      0.6796000       2.673000 0.9863000       2.133000      0.9352000      0.5407000       1.359000
  1 1 1      12   27   20 o    4.997000      0.5748000       5.034000 0.7983000       4.959000      0.8273000      0.7484000E-01   1.150000
  1 1 1      12   27   21 o    2.491000      0.7205000       2.384000 1.006000       2.598000       1.032000     -0.2139000       1.441000
  1 1 1      12   27   22 o    1.862000      0.6094000       2.267000 0.9841000       1.456000      0.7189000      0.8113000       1.219000
  1 1 1      12   27   23 o    3.018000      0.9606000       3.327000 1.461000       2.709000       1.248000      0.6179000       1.921000
  1 1 1      12   27   24 o    3.589000       1.047000       3.656000 1.510000       3.522000       1.452000      0.1335000       2.095000
  1 1 1      12   27   25 o    3.914000       1.066000       4.619000 1.615000       3.210000       1.392000       1.409000       2.132000
  1 1 1      12   27   26 o    3.213000      0.9843000       3.706000 1.513000       2.720000       1.259000      0.9863000       1.969000
  1 1 1      12   28    0 f    2.809000      0.5279000       2.452000 0.7580000       3.167000      0.7350000     -0.7156000       1.056000
  1 1 1      12   28    1 o    1.717000      0.5098000       1.415000 0.6303000       2.019000      0.8014000     -0.6038000       1.020000
  1 1 1      12   28    2 o    4.907000      0.3486000       5.464000 0.3831000       4.351000      0.5825000       1.114000      0.6972000
  1 1 1      12   28    3 o    6.995000      0.2668000       7.023000 0.3293000       6.967000      0.4200000      0.5594000E-01  0.5337000
  1 1 1      12   28    4 o    2.948000      0.5586000       2.645000 0.7129000       3.252000      0.8602000     -0.6071000       1.117000
  1 1 1      12   28    5 o    1.878000      0.5080000       2.168000 0.7145000       1.587000      0.7224000      0.5814000       1.016000
  1 1 1      12   28    6 o    6.447000      0.3232000       6.551000 0.3811000       6.344000      0.5220000      0.2069000      0.6463000
  1 1 1      12   28    7 o    2.390000      0.5799000       2.123000 0.7642000       2.657000      0.8724000     -0.5348000       1.160000
  1 1 1      12   28    8 o    1.832000      0.5380000       1.917000 0.7611000       1.746000      0.7607000      0.1718000       1.076000
  1 1 1      12   28    9 o    1.778000      0.5251000       1.965000 0.7520000       1.591000      0.7331000      0.3732000       1.050000
  1 1 1      12   28   10 f    3.629000      0.5130000       3.880000 0.6593000       3.377000      0.7860000      0.5036000       1.026000
  1 1 1      12   28   11 o    1.963000      0.5845000       1.980000 0.8301000       1.946000      0.8231000      0.3407000E-01   1.169000
  1 1 1      12   28   12 o    2.242000      0.6265000       2.767000 0.9748000       1.718000      0.7873000       1.049000       1.253000
  1 1 1      12   28   13 o    3.727000      0.6457000       3.316000 0.9990000       4.138000      0.8184000     -0.8219000       1.291000
  1 1 1      12   28   14 o    4.799000      0.5902000       5.137000 0.7758000       4.462000      0.8896000      0.6746000       1.180000
  1 1 1      12   28   15 o    3.880000      0.6071000       2.547000 0.9939000       5.213000      0.6976000      -2.666000       1.214000
  1 1 1      12   28   16 o    3.807000      0.6568000       2.370000 0.9434000       5.244000      0.9139000      -2.874000       1.314000
  1 1 1      12   28   17 o    2.703000      0.7983000       2.246000 1.041000       3.159000       1.210000     -0.9124000       1.597000
  1 1 1      12   28   18 o    2.967000      0.8469000       3.032000 1.203000       2.901000       1.192000      0.1314000       1.694000
  1 1 1      12   28   19 o    4.671000      0.8622000       3.605000 1.227000       5.737000       1.211000      -2.132000       1.724000
  1 1 1      12   28   20 o    2.216000      0.7416000       1.838000 0.9043000       2.594000       1.176000     -0.7551000       1.483000
  1 1 1      12   28   21 o    2.459000      0.7657000       2.604000 1.192000       2.314000      0.9611000      0.2895000       1.531000
  1 1 1      12   28   22 o    2.143000      0.6804000       1.841000 0.8733000       2.445000       1.044000     -0.6035000       1.361000
  1 1 1      12   28   23 o    3.612000      0.7721000       3.537000 1.124000       3.688000       1.059000     -0.1515000       1.544000
  1 1 1      12   28   24 o    3.487000      0.7261000       4.634000 1.068000       2.340000      0.9837000       2.294000       1.452000
  1 1 1      12   28   25 o    2.399000      0.7134000       2.805000 1.102000       1.993000      0.9058000      0.8119000       1.427000
  1 1 1      12   29    0 o    3.347000      0.5212000       2.744000 0.7458000       3.950000      0.7281000      -1.206000       1.042000
  1 1 1      12   29    1 o    4.401000      0.4280000       4.102000 0.6654000       4.699000      0.5385000     -0.5969000      0.8560000
  1 1 1      12   29    2 o    4.798000      0.4450000       4.640000 0.5385000       4.957000      0.7085000     -0.3169000      0.8899000
  1 1 1      12   29    3 f    4.156000      0.5045000       4.211000 0.6111000       4.101000      0.8028000      0.1100000       1.009000
  1 1 1      12   29    4 o    7.788000      0.3360000       8.355000 0.4023000       7.221000      0.5383000       1.134000      0.6720000
  1 1 1      12   29    5 o    2.723000      0.6102000       2.086000 0.7856000       3.359000      0.9339000      -1.273000       1.220000
  1 1 1      12   29    6 o    2.130000      0.5945000       2.006000 0.7698000       2.254000      0.9062000     -0.2484000       1.189000
  1 1 1      12   29    7 o    2.475000      0.5753000       2.771000 0.7782000       2.180000      0.8475000      0.5913000       1.151000
  1 1 1      12   29    8 o    2.742000      0.5967000       2.286000 0.8467000       3.198000      0.8411000     -0.9127000       1.193000
  1 1 1      12   29    9 o    6.005000      0.3791000       5.607000 0.5312000       6.402000      0.5410000     -0.7952000      0.7582000
  1 1 1      12   29   10 o    5.871000      0.4031000       6.061000 0.5461000       5.681000      0.5929000      0.3793000      0.8061000
  1 1 1      12   29   11 o    3.419000      0.6286000       4.320000 0.7962000       2.519000      0.9730000       1.802000       1.257000
  1 1 1      12   29   12 o    3.599000      0.7459000       3.534000 1.078000       3.664000       1.032000     -0.1297000       1.492000
  1 1 1      12   29   13 o    1.918000      0.6175000       2.169000 0.9637000       1.666000      0.7724000      0.5032000       1.235000
  1 1 1      12   29   14 o    3.379000      0.6712000       3.147000 0.9642000       3.611000      0.9339000     -0.4640000       1.342000
  1 1 1      12   29   15 o    3.636000      0.6661000       3.170000 0.9906000       4.101000      0.8907000     -0.9314000       1.332000
  1 1 1      12   29   16 o    3.868000      0.6763000       3.372000 1.003000       4.363000      0.9069000     -0.9911000       1.353000
  1 1 1      12   29   17 o    2.493000      0.7095000       1.761000 0.8297000       3.225000       1.151000      -1.464000       1.419000
  1 1 1      12   29   18 o    2.685000      0.7393000       3.163000 1.094000       2.207000      0.9942000      0.9559000       1.479000
  1 1 1      12   29   19 o    2.141000      0.6674000       1.997000 0.9064000       2.286000      0.9798000     -0.2893000       1.335000
  1 1 1      12   29   20 o    2.273000      0.6965000       2.207000 0.9715000       2.339000      0.9984000     -0.1325000       1.393000
  1 1 1      12   29   21 f    3.437000      0.8747000       3.379000 1.229000       3.495000       1.245000     -0.1161000       1.749000
  1 1 1      12   29   22 o    2.249000      0.7340000       2.165000 1.016000       2.334000       1.060000     -0.1692000       1.468000
  1 1 1      12   29   23 o    3.302000      0.8172000       3.816000 1.211000       2.788000       1.097000       1.028000       1.634000
  1 1 1      12   29   24 o    2.670000      0.7557000       1.998000 0.9585000       3.343000       1.168000      -1.345000       1.511000
  1 1 1      12   30    0 o    4.649000      0.6477000       5.055000 0.8322000       4.243000      0.9927000      0.8123000       1.295000
  1 1 1      12   30    1 o    2.585000      0.7013000       2.321000 0.9657000       2.848000       1.017000     -0.5263000       1.403000
  1 1 1      12   30    2 o    2.595000      0.6459000       3.296000 1.024000       1.894000      0.7873000       1.402000       1.292000
  1 1 1      12   30    3 o    2.536000      0.7182000       3.235000 1.182000       1.836000      0.8162000       1.399000       1.436000
  1 1 1      12   30    4 o    3.933000      0.4988000       4.530000 0.4449000       3.336000      0.8930000       1.194000      0.9977000
  1 1 1      12   30    5 o    4.096000      0.4915000       4.055000 0.6056000       4.137000      0.7744000     -0.8176000E-01  0.9831000
  1 1 1      12   30    6 o    4.176000      0.5127000       4.208000 0.6307000       4.145000      0.8085000      0.6347000E-01   1.025000
  1 1 1      12   30    7 o    3.144000      0.5485000       1.923000 0.8142000       4.366000      0.7351000      -2.443000       1.097000
  1 1 1      12   30    8 f    2.763000      0.6316000       2.803000 0.8433000       2.724000      0.9406000      0.7909000E-01   1.263000
  1 1 1      12   30    9 o    4.471000      0.4752000       4.866000 0.5075000       4.076000      0.8036000      0.7907000      0.9504000
  1 1 1      12   30   11 o    3.494000      0.7514000       3.306000 1.332000       3.682000      0.6963000     -0.3762000       1.503000
  1 1 1      12   30   12 o    2.623000       1.213000                  ?       ?   2.623000       1.213000                  ?              ?
  1 1 1      12   30   13 o    3.449000      0.9120000       4.512000 1.414000       2.386000       1.152000       2.127000       1.824000
  1 1 1      12   30   14 o    4.690000       1.031000       4.599000 1.453000       4.781000       1.462000     -0.1815000       2.062000
  1 1 1      12   30   15 o    3.641000      0.9224000       4.375000 1.326000       2.907000       1.282000       1.468000       1.845000
  1 1 1      12   30   16 o    3.354000      0.9261000       2.826000 1.198000       3.881000       1.412000      -1.054000       1.852000
  1 1 1      12   30   17 o    2.545000      0.7982000       2.374000 1.089000       2.716000       1.167000     -0.3423000       1.596000
  1 1 1      12   30   18 o    3.799000      0.9276000       3.080000 1.267000       4.517000       1.356000      -1.437000       1.855000
  1 1 1      12   30   19 o    1.925000      0.6217000       1.787000 0.8403000       2.064000      0.9165000     -0.2769000       1.243000
  1 1 1      12   30   20 o    2.514000      0.7334000       2.383000 1.019000       2.645000       1.055000     -0.2617000       1.467000
  1 1 1      12   30   21 o    2.214000      0.6961000       2.347000 1.019000       2.082000      0.9483000      0.2654000       1.392000
  1 1 1      12   30   22 o    3.569000      0.7515000       2.973000 1.127000       4.165000      0.9938000      -1.191000       1.503000
  1 1 1      12   31    0 o    1.810000      0.5558000       1.572000 0.7002000       2.048000      0.8633000     -0.4751000       1.112000
  1 1 1      12   31    1 o    4.561000      0.4643000       4.696000 0.5585000       4.425000      0.7420000      0.2710000      0.9287000
  1 1 1      12   31    2 o    2.565000      0.6292000       2.808000 0.8461000       2.321000      0.9315000      0.4871000       1.258000
  1 1 1      12   31    3 o    2.159000      0.6165000       1.745000 0.7602000       2.573000      0.9708000     -0.8281000       1.233000
  1 1 1      12   31    4 o    2.800000      0.6304000       3.165000 0.8166000       2.435000      0.9607000      0.7295000       1.261000
  1 1 1      12   31    5 o    2.263000      0.6111000       1.588000 0.7293000       2.938000      0.9809000      -1.351000       1.222000
  1 1 1      12   31    6 o    2.900000      0.5625000       3.854000 0.7148000       1.946000      0.8687000       1.909000       1.125000
  1 1 1      12   31    7 o    2.378000      0.6274000       2.379000 0.8331000       2.378000      0.9383000      0.1169000E-02   1.255000
  1 1 1      12   31    8 o    2.789000      0.6382000       2.479000 0.8482000       3.099000      0.9537000     -0.6199000       1.276000
  1 1 1      12   31    9 o    1.648000      0.5417000       1.472000 0.7005000       1.824000      0.8265000     -0.3520000       1.083000
  1 1 1      12   31   10 o    3.547000      0.8812000       3.547000 0.8812000                  ?              ?              ?              ?
  1 1 1      12   31   11 o    2.504000      0.6768000       2.122000 0.8929000       2.886000       1.017000     -0.7645000       1.354000
  1 1 1      12   31   12 o    4.564000      0.9701000                  ?       ?   4.564000      0.9701000                  ?              ?
  1 1 1      12   31   13 o    3.840000      0.7161000       4.260000 0.9469000       3.420000       1.075000      0.8403000       1.432000
  1 1 1      12   31   14 o    3.064000      0.7672000       2.926000 1.057000       3.203000       1.112000     -0.2766000       1.534000
  1 1 1      12   31   15 o    5.131000      0.6032000       5.391000 0.7323000       4.872000      0.9587000      0.5189000       1.206000
  1 1 1      12   31   16 o    2.570000      0.7458000       2.676000 1.054000       2.464000       1.055000      0.2123000       1.492000
  1 1 1      12   31   17 o    2.497000      0.7515000       2.738000 1.104000       2.256000       1.020000      0.4816000       1.503000
  1 1 1      12   31   18 o    2.155000      0.6938000       2.118000 0.9633000       2.191000      0.9988000     -0.7235000E-01   1.388000
  1 1 1      12   31   19 o    3.034000      0.7727000       3.347000 1.100000       2.721000       1.085000      0.6262000       1.545000
  1 1 1      12   31   20 o    3.149000      0.7754000       2.688000 1.091000       3.609000       1.102000     -0.9208000       1.551000
  1 1 1      12   31   21 o    2.560000      0.6917000       1.712000 0.8256000       3.407000       1.110000      -1.695000       1.383000
  1 1 1      12   32    0 o    2.514000      0.6071000       2.585000 0.8099000       2.443000      0.9046000      0.1420000       1.214000
  1 1 1      12   32    1 o    3.062000      0.6071000       2.516000 0.8314000       3.609000      0.8848000      -1.093000       1.214000
  1 1 1      12   32    2 o    2.063000      0.6034000       1.668000 0.7469000       2.458000      0.9479000     -0.7909000       1.207000
  1 1 1      12   32    3 o    3.399000      0.6196000       3.081000 0.8384000       3.716000      0.9126000     -0.6349000       1.239000
  1 1 1      12   32    4 o    2.633000      0.6442000       2.650000 0.8602000       2.616000      0.9591000      0.3416000E-01   1.288000
  1 1 1      12   32    5 o    3.828000      0.5818000       3.882000 0.7375000       3.773000      0.8999000      0.1083000       1.164000
  1 1 1      12   32    6 o    4.146000      0.5725000       5.091000 0.5980000       3.200000      0.9764000       1.892000       1.145000
  1 1 1      12   32    7 o    1.919000      0.5949000       1.671000 0.7668000       2.166000      0.9097000     -0.4959000       1.190000
  1 1 1      12   32    8 o    2.281000      0.6407000       2.299000 0.8869000       2.264000      0.9247000      0.3551000E-01   1.281000
  1 1 1      12   32    9 o    4.982000      0.5399000       5.343000 0.6092000       4.621000      0.8914000      0.7211000       1.080000
  1 1 1      12   32   10 f    4.036000      0.6435000       5.189000 0.7302000       2.882000       1.060000       2.307000       1.287000
  1 1 1      12   32   11 o    2.707000      0.7227000       2.318000 0.9641000       3.097000       1.077000     -0.7791000       1.445000
  1 1 1      12   32   12 o    2.727000       1.093000                  ?       ?   2.727000       1.093000                  ?              ?
  1 1 1      12   32   13 o    1.991000      0.6499000       2.084000 0.9397000       1.898000      0.8981000      0.1859000       1.300000
  1 1 1      12   32   14 o    3.178000      0.7566000       3.532000 1.035000       2.824000       1.104000      0.7080000       1.513000
  1 1 1      12   32   15 o    3.528000      0.6983000       2.216000 0.9415000       4.841000       1.032000      -2.625000       1.397000
  1 1 1      12   32   16 o    2.572000      0.7308000       2.960000 1.082000       2.184000      0.9831000      0.7759000       1.462000
  1 1 1      12   32   17 o    2.862000      0.7448000       2.157000 0.9788000       3.566000       1.123000      -1.409000       1.490000
  1 1 1      12   32   18 o    3.372000      0.7445000       4.368000 1.076000       2.376000       1.029000       1.991000       1.489000
  1 1 1      12   32   19 o    3.090000      0.7842000       3.221000 1.094000       2.959000       1.124000      0.2620000       1.568000
  1 1 1      12   33    0 o    2.244000      0.6196000       2.671000 0.9100000       1.817000      0.8411000      0.8546000       1.239000
  1 1 1      12   33    1 o    2.282000      0.6596000       2.203000 0.8898000       2.360000      0.9740000     -0.1565000       1.319000
  1 1 1      12   33    2 o    1.842000      0.5917000       1.858000 0.8250000       1.826000      0.8484000      0.3180000E-01   1.183000
  1 1 1      12   33    3 o    2.882000      0.7022000       2.645000 0.9355000       3.120000       1.047000     -0.4745000       1.404000
  1 1 1      12   33    4 o    5.500000      0.5646000       5.024000 0.6736000       5.975000      0.9063000     -0.9505000       1.129000
  1 1 1      12   33    5 o    2.309000      0.6979000       1.809000 0.8151000       2.808000       1.133000     -0.9985000       1.396000
  1 1 1      12   33    6 o    3.435000      0.7172000       2.890000 0.9860000       3.980000       1.042000      -1.091000       1.434000
  1 1 1      12   33    7 o    3.867000      0.7094000       3.351000 1.005000       4.382000       1.001000      -1.031000       1.419000
  1 1 1      12   33    8 o    4.226000      0.6785000       3.606000 0.9931000       4.845000      0.9246000      -1.240000       1.357000
  1 1 1      12   33    9 o    3.121000      0.7034000       3.551000 0.9329000       2.690000       1.053000      0.8615000       1.407000
  1 1 1      12   33   10 o    2.911000      0.6654000       3.721000 0.9198000       2.101000      0.9618000       1.620000       1.331000
  1 1 1      12   33   11 o    2.287000      0.6978000       2.330000 0.9775000       2.244000      0.9961000      0.8616000E-01   1.396000
  1 1 1      12   33   12 o    2.656000      0.7523000       2.656000 1.043000       2.657000       1.085000     -0.1117000E-02   1.505000
  1 1 1      12   33   13 o    2.751000      0.7461000       3.018000 1.046000       2.484000       1.064000      0.5344000       1.492000
  1 1 1      12   33   14 o    3.117000      0.7979000       2.907000 1.053000       3.326000       1.199000     -0.4187000       1.596000
  1 1 1      12   33   15 o    2.784000      0.7336000       3.361000 1.076000       2.207000      0.9978000       1.154000       1.467000
  1 1 1      12   33   16 o    3.016000      0.7878000       3.019000 1.080000       3.014000       1.148000      0.4925000E-02   1.576000
  1 1 1      12   33   17 o    2.416000      0.7373000       2.576000 1.059000       2.256000       1.027000      0.3191000       1.475000
  1 1 1      12   34    0 o    2.341000      0.6900000       2.251000 0.9449000       2.431000       1.006000     -0.1798000       1.380000
  1 1 1      12   34    1 o    2.256000      0.6741000       2.109000 0.8951000       2.402000       1.008000     -0.2923000       1.348000
  1 1 1      12   34    2 o    3.536000      0.7063000       3.666000 0.9129000       3.407000       1.078000      0.2592000       1.413000
  1 1 1      12   34    3 o    3.922000      0.8688000       3.854000 1.412000       3.991000       1.012000     -0.1365000       1.738000
  1 1 1      12   34    4 o    4.600000      0.6782000       4.605000 0.7638000       4.596000       1.121000      0.8677000E-02   1.356000
  1 1 1      12   34    5 f    2.920000      0.7344000       3.152000 0.9861000       2.688000       1.089000      0.4637000       1.469000
  1 1 1      12   34    6 o    2.687000      0.7393000       2.847000 1.040000       2.527000       1.051000      0.3208000       1.479000
  1 1 1      12   34    7 o    2.277000      0.6996000       2.322000 0.9840000       2.231000      0.9949000      0.9003000E-01   1.399000
  1 1 1      12   34    8 o    2.419000      0.7150000       2.155000 0.9375000       2.684000       1.080000     -0.5290000       1.430000
  1 1 1      12   34    9 o    2.696000      0.7377000       2.631000 1.005000       2.761000       1.081000     -0.1303000       1.475000
  1 1 1      12   34   10 o    3.061000      0.7525000       3.205000 1.011000       2.916000       1.115000      0.2895000       1.505000
  1 1 1      12   34   11 o    2.428000      0.7299000       2.375000 0.9925000       2.482000       1.070000     -0.1068000       1.460000
  1 1 1      12   34   12 o    3.597000      0.7976000       3.433000 1.101000       3.761000       1.154000     -0.3280000       1.595000
  1 1 1      12   34   13 o    3.225000      0.7607000       2.721000 1.044000       3.729000       1.107000      -1.008000       1.521000
  1 1 1      12   34   14 o    2.673000      0.7615000       2.827000 1.073000       2.520000       1.081000      0.3072000       1.523000
  1 1 1      12   34   15 f    3.606000      0.7196000       2.331000 0.9837000       4.882000       1.051000      -2.551000       1.439000
  1 1 1      12   35    0 o    2.245000      0.6838000       1.679000 0.8090000       2.810000       1.103000      -1.131000       1.368000
  1 1 1      12   35    1 o    2.556000      0.7313000       2.069000 0.9188000       3.044000       1.138000     -0.9756000       1.463000
  1 1 1      12   35    2 o    3.317000      0.7684000       3.624000 1.017000       3.011000       1.152000      0.6131000       1.537000
  1 1 1      12   35    3 o    2.202000      0.6888000       2.255000 0.9672000       2.149000      0.9809000      0.1062000       1.378000
  1 1 1      12   35    4 o    2.730000      0.7705000       2.929000 1.065000       2.532000       1.114000      0.3967000       1.541000
  1 1 1      12   35    5 o    2.614000      0.7125000       3.057000 1.033000       2.171000      0.9817000      0.8859000       1.425000
  1 1 1      12   35    6 o    2.663000      0.7572000       2.653000 1.023000       2.672000       1.117000     -0.1861000E-01   1.514000
  1 1 1      12   35    7 o    2.756000      0.7741000       2.621000 1.045000       2.891000       1.142000     -0.2699000       1.548000
  1 1 1      12   35    8 o    3.257000      0.7384000       2.142000 0.9518000       4.373000       1.129000      -2.231000       1.477000
  1 1 1      12   35    9 o    3.165000      0.7920000       2.743000 1.064000       3.587000       1.173000     -0.8440000       1.584000
  1 1 1      12   35   10 o    2.353000      0.7116000       1.837000 0.8460000       2.868000       1.144000      -1.031000       1.423000
  1 1 1      12   35   11 o    1.547000      0.7579000       1.547000 0.7579000                  ?              ?              ?              ?
  1 1 1      12   35   12 o    3.326000      0.8047000       3.398000 1.095000       3.254000       1.180000      0.1440000       1.609000
  1 1 1      12   36    0 o    2.376000      0.7119000       2.041000 0.9205000       2.711000       1.086000     -0.6702000       1.424000
  1 1 1      12   36    1 o    2.039000      0.6453000       2.371000 0.9901000       1.707000      0.8278000      0.6639000       1.291000
  1 1 1      12   36    2 o    2.955000      0.7634000       2.569000 1.018000       3.341000       1.138000     -0.7716000       1.527000
  1 1 1      12   36    3 o    2.256000      0.7179000       2.047000 0.9349000       2.465000       1.090000     -0.4186000       1.436000
  1 1 1      12   36    4 o    2.417000      0.6965000       3.093000 1.096000       1.740000      0.8602000       1.353000       1.393000
  1 1 1      12   36    5 o    2.510000      0.7535000       2.729000 1.083000       2.292000       1.048000      0.4370000       1.507000
  1 1 1      12   36    6 o    2.167000      0.6896000       1.913000 0.8827000       2.422000       1.060000     -0.5092000       1.379000
  1 1 1      12   36    7 o    2.527000      0.7445000       1.967000 0.9034000       3.087000       1.184000      -1.120000       1.489000
  1 1 1      12   36    8 o    2.244000      0.7124000       1.829000 0.8650000       2.659000       1.132000     -0.8305000       1.425000
  1 1 1      12   36    9 o    2.006000      0.6578000       1.722000 0.8290000       2.290000       1.021000     -0.5686000       1.316000
  1 1 1      12   37    0 f    3.205000      0.8310000       2.035000 0.8769000       4.375000       1.412000      -2.340000       1.662000
  1 1 1      12   37    1 o    3.550000      0.8403000       2.547000 1.003000       4.552000       1.349000      -2.005000       1.681000
  1 1 1      12   37    2 o    3.584000      0.7602000       2.046000 0.9681000       5.122000       1.172000      -3.076000       1.520000
  1 1 1      12   37    3 o    2.968000       1.305000                  ?       ?   2.968000       1.305000                  ?              ?
  1 1 1      13  -25    0 o    3.761000      0.7308000       4.171000 0.9216000       3.350000       1.134000      0.8209000       1.462000
  1 1 1      13  -25    1 o    2.940000      0.7636000       2.777000 1.041000       3.102000       1.118000     -0.3246000       1.527000
  1 1 1      13  -25    2 o    3.689000      0.7644000       3.728000 1.036000       3.649000       1.124000      0.7914000E-01   1.529000
  1 1 1      13  -25    3 o    2.756000      0.7551000       3.198000 1.119000       2.313000       1.015000      0.8848000       1.510000
  1 1 1      13  -25    4 o    3.830000      0.7490000       3.612000 1.064000       4.048000       1.055000     -0.4363000       1.498000
  1 1 1      13  -25    5 o    3.317000      0.7875000       3.482000 1.082000       3.152000       1.144000      0.3301000       1.575000
  1 1 1      13  -25    6 o    2.751000      0.7445000       2.213000 0.9877000       3.290000       1.114000      -1.077000       1.489000
  1 1 1      13  -25    7 o    2.405000      0.7373000       1.901000 0.8881000       2.908000       1.177000      -1.007000       1.475000
  1 1 1      13  -24    0 o    3.875000      0.6727000       4.052000 0.8811000       3.698000       1.017000      0.3544000       1.345000
  1 1 1      13  -24    1 o    2.375000      0.6892000       2.568000 0.9863000       2.182000      0.9630000      0.3858000       1.378000
  1 1 1      13  -24    2 o    2.837000      0.7398000       2.784000 1.030000       2.889000       1.062000     -0.1049000       1.480000
  1 1 1      13  -24    3 o    3.326000      0.6959000       4.079000 0.9535000       2.573000       1.014000       1.507000       1.392000
  1 1 1      13  -24    4 o    3.229000      0.8029000       2.647000 1.068000       3.811000       1.199000      -1.164000       1.606000
  1 1 1      13  -24    5 o    2.760000      0.7278000       2.435000 1.002000       3.086000       1.056000     -0.6510000       1.456000
  1 1 1      13  -24    6 o    3.512000      0.7197000       2.775000 1.011000       4.248000       1.024000      -1.473000       1.439000
  1 1 1      13  -24    7 o    2.566000      0.7121000       1.991000 0.9112000       3.141000       1.094000      -1.150000       1.424000
  1 1 1      13  -24    8 o    2.995000      0.7890000       3.268000 1.130000       2.722000       1.101000      0.5462000       1.578000
  1 1 1      13  -24    9 o    3.285000      0.7526000       2.531000 1.024000       4.039000       1.103000      -1.508000       1.505000
  1 1 1      13  -24   10 o    2.819000      0.7524000       2.365000 1.011000       3.272000       1.115000     -0.9069000       1.505000
  1 1 1      13  -24   11 o    2.624000      0.7151000       2.318000 0.9890000       2.930000       1.033000     -0.6125000       1.430000
  1 1 1      13  -23    0 o    3.497000      0.6897000       2.956000 1.005000       4.037000      0.9444000      -1.081000       1.379000
  1 1 1      13  -23    1 o    3.376000      0.7109000       3.269000 0.9331000       3.483000       1.073000     -0.2138000       1.422000
  1 1 1      13  -23    2 o    3.705000      0.7263000       3.548000 0.9743000       3.862000       1.077000     -0.3134000       1.453000
  1 1 1      13  -23    3 o    3.743000      0.6942000       4.355000 0.8634000       3.131000       1.087000       1.224000       1.388000
  1 1 1      13  -23    4 o    3.047000      0.7073000       3.433000 0.9387000       2.660000       1.058000      0.7724000       1.415000
  1 1 1      13  -23    5 o    4.657000      0.6170000       4.519000 0.8132000       4.795000      0.9283000     -0.2756000       1.234000
  1 1 1      13  -23    6 o    2.971000      0.7385000       3.139000 1.014000       2.802000       1.074000      0.3369000       1.477000
  1 1 1      13  -23    7 o    6.206000      0.5410000       6.790000 0.6749000       5.623000      0.8457000       1.168000       1.082000
  1 1 1      13  -23    8 o    5.216000      0.6689000       5.303000 0.8453000       5.129000       1.037000      0.1738000       1.338000
  1 1 1      13  -23    9 o    4.501000      0.7797000       4.508000 1.070000       4.494000       1.134000      0.1401000E-01   1.559000
  1 1 1      13  -23   10 o    5.281000      0.6013000       5.843000 0.7770000       4.719000      0.9178000       1.125000       1.203000
  1 1 1      13  -23   11 o    2.105000      0.6639000       1.875000 0.8728000       2.336000       1.001000     -0.4608000       1.328000
  1 1 1      13  -23   12 o    1.871000      0.6190000       1.751000 0.8362000       1.990000      0.9131000     -0.2385000       1.238000
  1 1 1      13  -23   13 o    2.084000      0.6521000       2.154000 0.9425000       2.013000      0.9015000      0.1409000       1.304000
  1 1 1      13  -23   14 o    2.106000      0.6456000       2.635000 1.038000       1.577000      0.7673000       1.058000       1.291000
  1 1 1      13  -22    0 o    5.126000      0.5531000       5.526000 0.6142000       4.725000      0.9200000      0.8006000       1.106000
  1 1 1      13  -22    1 o    3.749000      0.6471000       4.100000 0.7719000       3.398000       1.039000      0.7013000       1.294000
  1 1 1      13  -22    2 o    3.753000      0.6481000       4.039000 0.7477000       3.467000       1.059000      0.5720000       1.296000
  1 1 1      13  -22    3 o    2.766000      0.7495000       2.600000 0.9714000       2.932000       1.142000     -0.3326000       1.499000
  1 1 1      13  -22    4 o    2.436000      0.7136000       2.233000 0.9256000       2.638000       1.086000     -0.4050000       1.427000
  1 1 1      13  -22    5 o    3.256000      0.6854000       2.545000 0.8974000       3.966000       1.036000      -1.422000       1.371000
  1 1 1      13  -22    6 o    3.222000      0.6611000       3.912000 0.8501000       2.533000       1.013000       1.378000       1.322000
  1 1 1      13  -22    7 o    3.036000      0.7136000       3.207000 0.9659000       2.866000       1.051000      0.3410000       1.427000
  1 1 1      13  -22    8 o    2.254000      0.6633000       2.576000 0.9847000       1.931000      0.8889000      0.6454000       1.327000
  1 1 1      13  -22    9 o    3.103000      0.9870000       3.334000 1.478000       2.873000       1.308000      0.4612000       1.974000
  1 1 1      13  -22   10 o    3.708000       1.063000       3.654000 1.506000       3.763000       1.500000     -0.1089000       2.126000
  1 1 1      13  -22   11 o    4.016000       1.069000       4.687000 1.593000       3.345000       1.426000       1.342000       2.138000
  1 1 1      13  -22   12 o    2.871000      0.8732000       2.198000 1.083000       3.545000       1.370000      -1.347000       1.746000
  1 1 1      13  -22   13 o    2.651000      0.6616000       3.258000 0.9696000       2.044000      0.9005000       1.215000       1.323000
  1 1 1      13  -22   14 o    2.334000      0.6823000       2.642000 1.024000       2.026000      0.9019000      0.6161000       1.365000
  1 1 1      13  -22   15 o    1.806000      0.5949000       2.039000 0.9129000       1.572000      0.7630000      0.4669000       1.190000
  1 1 1      13  -22   16 o    2.380000      0.6682000       2.045000 0.8945000       2.715000      0.9929000     -0.6697000       1.336000
  1 1 1      13  -21    0 o    3.539000      0.7457000       3.462000 0.9707000       3.617000       1.132000     -0.1553000       1.491000
  1 1 1      13  -21    1 o    3.222000      0.6755000       2.722000 0.8776000       3.722000       1.027000      -1.000000       1.351000
  1 1 1      13  -21    2 o    4.206000      0.5848000       4.976000 0.5813000       3.435000       1.015000       1.542000       1.170000
  1 1 1      13  -21    3 o    2.100000      0.6126000       2.284000 0.8564000       1.916000      0.8761000      0.3680000       1.225000
  1 1 1      13  -21    4 o    3.117000      0.6615000       3.418000 0.8866000       2.816000      0.9819000      0.6019000       1.323000
  1 1 1      13  -21    5 o    3.780000      0.9638000       4.525000 1.449000       3.035000       1.271000       1.490000       1.928000
  1 1 1      13  -21    6 o    4.511000       1.072000       5.326000 1.568000       3.696000       1.463000       1.631000       2.145000
  1 1 1      13  -21    7 o    3.802000       1.050000       4.048000 1.543000       3.556000       1.424000      0.4916000       2.099000
  1 1 1      13  -21    8 o    8.698000      0.3848000       8.551000 0.4945000       8.844000      0.5896000     -0.2929000      0.7695000
  1 1 1      13  -21    9 o    6.005000      0.5283000       6.609000 0.5744000       5.402000      0.8869000       1.207000       1.057000
  1 1 1      13  -21   10 o    3.504000      0.6970000       3.695000 0.9169000       3.313000       1.050000      0.3816000       1.394000
  1 1 1      13  -21   11 o    5.124000      0.5501000       5.461000 0.6640000       4.788000      0.8773000      0.6727000       1.100000
  1 1 1      13  -21   12 o    3.061000      0.6728000       3.749000 0.9239000       2.373000      0.9782000       1.377000       1.346000
  1 1 1      13  -21   13 o    3.431000      0.7525000       3.658000 1.115000       3.205000       1.011000      0.4528000       1.505000
  1 1 1      13  -21   14 o    3.464000      0.6775000       4.146000 0.9124000       2.782000       1.002000       1.364000       1.355000
  1 1 1      13  -21   15 o    5.207000      0.5295000       5.064000 0.7787000       5.350000      0.7176000     -0.2860000       1.059000
  1 1 1      13  -21   16 o    4.262000      0.6158000       3.731000 0.9647000       4.794000      0.7656000      -1.063000       1.232000
  1 1 1      13  -21   17 f    2.419000      0.6582000       2.414000 0.9434000       2.424000      0.9181000     -0.1001000E-01   1.316000
  1 1 1      13  -21   18 o    3.467000      0.6055000       4.570000 0.7986000       2.363000      0.9104000       2.207000       1.211000
  1 1 1      13  -20    0 o    2.849000      0.9738000                  ?       ?   2.849000      0.9738000                  ?              ?
  1 1 1      13  -20    1 o    8.859000      0.5017000       9.961000 0.6266000       7.757000      0.7836000       2.205000       1.003000
  1 1 1      13  -20    2 o    3.976000      0.8817000       4.747000 1.210000       3.206000       1.283000       1.541000       1.763000
  1 1 1      13  -20    3 o    3.522000      0.7371000       3.158000 1.243000       3.887000      0.7926000     -0.7297000       1.474000
  1 1 1      13  -20    4 o    3.884000      0.5941000       4.159000 0.6843000       3.608000      0.9713000      0.5510000       1.188000
  1 1 1      13  -20    5 o    7.204000      0.3525000       7.489000 0.4393000       6.920000      0.5514000      0.5686000      0.7050000
  1 1 1      13  -20    6 o    4.333000      0.5508000       4.454000 0.6793000       4.212000      0.8672000      0.2417000       1.102000
  1 1 1      13  -20    7 o    5.063000      0.4653000       4.852000 0.6279000       5.274000      0.6869000     -0.4215000      0.9306000
  1 1 1      13  -20    8 o    4.959000      0.5035000       5.151000 0.6446000       4.767000      0.7735000      0.3844000       1.007000
  1 1 1      13  -20    9 o    2.730000      0.6672000       2.570000 0.9208000       2.890000      0.9659000     -0.3207000       1.334000
  1 1 1      13  -20   10 o    4.130000      0.5833000       3.912000 0.8348000       4.348000      0.8150000     -0.4356000       1.167000
  1 1 1      13  -20   11 o    4.010000      0.6025000       3.721000 0.8457000       4.298000      0.8583000     -0.5771000       1.205000
  1 1 1      13  -20   12 o    3.232000      0.5722000       1.867000 0.8177000       4.597000      0.8006000      -2.730000       1.144000
  1 1 1      13  -20   13 o    5.189000      0.5598000       4.942000 0.7632000       5.436000      0.8191000     -0.4934000       1.120000
  1 1 1      13  -20   14 o    5.454000      0.4784000       5.496000 0.6717000       5.412000      0.6814000      0.8393000E-01  0.9568000
  1 1 1      13  -20   15 o    2.631000      0.6875000       3.002000 1.014000       2.261000      0.9293000      0.7412000       1.375000
  1 1 1      13  -20   16 o    2.386000      0.6634000       2.834000 1.020000       1.938000      0.8488000      0.8960000       1.327000
  1 1 1      13  -20   17 o    4.657000      0.5209000       4.259000 0.8310000       5.054000      0.6284000     -0.7946000       1.042000
  1 1 1      13  -20   18 o    4.561000      0.5160000       4.419000 0.7682000       4.704000      0.6890000     -0.2854000       1.032000
  1 1 1      13  -20   19 o    2.725000      0.6553000       3.051000 0.9507000       2.399000      0.9020000      0.6517000       1.311000
  1 1 1      13  -20   20 o    5.124000      0.4786000       4.755000 0.7513000       5.493000      0.5930000     -0.7384000      0.9571000
  1 1 1      13  -19    0 o    16.06000      0.4076000                  ?       ?   16.06000      0.4076000                  ?              ?
  1 1 1      13  -19    1 o    9.877000      0.2659000       10.04000 0.3498000       9.717000      0.4004000      0.3193000      0.5317000
  1 1 1      13  -19    2 o    3.782000      0.5328000       4.192000 0.5855000       3.372000      0.8902000      0.8204000       1.066000
  1 1 1      13  -19    3 o    4.657000      0.4471000       3.999000 0.6197000       5.315000      0.6447000      -1.317000      0.8942000
  1 1 1      13  -19    4 o    4.307000      0.4980000       4.456000 0.5874000       4.159000      0.8045000      0.2972000      0.9961000
  1 1 1      13  -19    5 o    2.461000      0.6065000       1.838000 0.7609000       3.084000      0.9446000      -1.247000       1.213000
  1 1 1      13  -19    6 o    2.412000      0.6276000       2.242000 0.8417000       2.581000      0.9313000     -0.3385000       1.255000
  1 1 1      13  -19    7 o    7.820000      0.3645000       8.111000 0.4325000       7.528000      0.5868000      0.5829000      0.7290000
  1 1 1      13  -19    8 o    5.100000      0.4499000       5.520000 0.5396000       4.680000      0.7200000      0.8402000      0.8998000
  1 1 1      13  -19    9 f    4.564000      0.4989000       4.840000 0.6153000       4.287000      0.7855000      0.5530000      0.9978000
  1 1 1      13  -19   10 o    6.166000      0.4260000       5.960000 0.5712000       6.371000      0.6322000     -0.4109000      0.8520000
  1 1 1      13  -19   11 o    4.737000      0.4927000       4.662000 0.6500000       4.812000      0.7407000     -0.1504000      0.9854000
  1 1 1      13  -19   12 o    4.793000      0.4935000       4.406000 0.7181000       5.179000      0.6771000     -0.7730000      0.9870000
  1 1 1      13  -19   13 o    7.719000      0.3672000       7.395000 0.4921000       8.044000      0.5451000     -0.6487000      0.7344000
  1 1 1      13  -19   14 o    2.427000      0.6516000       2.310000 0.9210000       2.545000      0.9221000     -0.2349000       1.303000
  1 1 1      13  -19   15 o    2.507000      0.6671000       2.396000 0.9190000       2.618000      0.9672000     -0.2220000       1.334000
  1 1 1      13  -19   16 o    3.098000      0.6813000       3.207000 0.9441000       2.990000      0.9824000      0.2174000       1.363000
  1 1 1      13  -19   17 o    2.908000      0.6550000       3.080000 0.9336000       2.735000      0.9189000      0.3446000       1.310000
  1 1 1      13  -19   18 o    2.164000      0.6202000       2.273000 0.9047000       2.055000      0.8487000      0.2180000       1.240000
  1 1 1      13  -19   19 f    6.040000      0.3860000       6.553000 0.5332000       5.528000      0.5582000       1.025000      0.7719000
  1 1 1      13  -19   20 o    5.409000      0.4394000       5.306000 0.6584000       5.511000      0.5821000     -0.2050000      0.8788000
  1 1 1      13  -19   21 o    2.250000      0.6196000       2.775000 0.9657000       1.726000      0.7764000       1.049000       1.239000
  1 1 1      13  -19   22 o    2.308000      0.6544000       2.043000 0.9322000       2.574000      0.9186000     -0.5305000       1.309000
  1 1 1      13  -18    0 o    13.42000      0.2588000       12.95000 0.3482000       13.90000      0.3830000     -0.9522000      0.5176000
  1 1 1      13  -18    1 o    6.118000      0.3302000       6.245000 0.3985000       5.990000      0.5266000      0.2551000      0.6603000
  1 1 1      13  -18    2 o    13.02000      0.3119000       13.02000 0.3510000       13.02000      0.5157000      0.1837000E-02  0.6239000
  1 1 1      13  -18    3 o    6.027000      0.3345000       5.797000 0.4283000       6.256000      0.5139000     -0.4590000      0.6690000
  1 1 1      13  -18    4 o    4.012000      0.5450000       4.505000 0.5888000       3.518000      0.9172000      0.9863000       1.090000
  1 1 1      13  -18    5 o    7.166000      0.3397000       7.397000 0.4164000       6.934000      0.5368000      0.4630000      0.6793000
  1 1 1      13  -18    6 o    10.50000      0.3113000       10.39000 0.3874000       10.61000      0.4874000     -0.2237000      0.6226000
  1 1 1      13  -18    7 o    4.790000      0.4472000       5.137000 0.5216000       4.443000      0.7267000      0.6942000      0.8945000
  1 1 1      13  -18    8 o    1.980000      0.5617000       1.474000 0.6790000       2.486000      0.8950000      -1.012000       1.123000
  1 1 1      13  -18    9 o    6.787000      0.3549000       6.291000 0.4671000       7.284000      0.5343000     -0.9933000      0.7097000
  1 1 1      13  -18   10 o    9.067000      0.3287000       9.351000 0.4328000       8.783000      0.4949000      0.5679000      0.6575000
  1 1 1      13  -18   11 o    2.648000      0.5493000       3.464000 0.7464000       1.833000      0.8060000       1.630000       1.099000
  1 1 1      13  -18   12 o    11.73000      0.3290000       11.57000 0.4508000       11.89000      0.4794000     -0.3271000      0.6581000
  1 1 1      13  -18   13 o    8.152000      0.3406000       7.786000 0.4542000       8.518000      0.5075000     -0.7323000      0.6811000
  1 1 1      13  -18   14 o    2.405000      0.6205000       1.826000 0.8135000       2.983000      0.9372000      -1.157000       1.241000
  1 1 1      13  -18   15 o    4.216000      0.5611000       4.064000 0.8285000       4.367000      0.7569000     -0.3036000       1.122000
  1 1 1      13  -18   16 o    4.899000      0.4669000       4.783000 0.6748000       5.014000      0.6455000     -0.2319000      0.9338000
  1 1 1      13  -18   17 o    2.486000      0.5906000       3.108000 0.8523000       1.863000      0.8177000       1.245000       1.181000
  1 1 1      13  -18   18 o    3.440000      0.5882000       3.076000 0.8836000       3.803000      0.7765000     -0.7274000       1.176000
  1 1 1      13  -18   19 o    1.868000      0.5713000       1.720000 0.7868000       2.016000      0.8286000     -0.2956000       1.143000
  1 1 1      13  -18   20 o    2.665000      0.6168000       2.396000 0.8948000       2.935000      0.8491000     -0.5384000       1.234000
  1 1 1      13  -18   21 o    2.917000      0.5813000       3.794000 0.8175000       2.040000      0.8266000       1.755000       1.163000
  1 1 1      13  -18   22 o    2.808000      0.6250000       2.402000 0.9335000       3.215000      0.8312000     -0.8136000       1.250000
  1 1 1      13  -18   23 o    2.304000      0.6400000       2.767000 0.9950000       1.841000      0.8051000      0.9263000       1.280000
  1 1 1      13  -17    0 o    13.11000      0.2497000       12.91000 0.3395000       13.32000      0.3662000     -0.4045000      0.4993000
  1 1 1      13  -17    1 o    15.07000      0.2648000       14.85000 0.3621000       15.30000      0.3864000     -0.4507000      0.5295000
  1 1 1      13  -17    2 o    8.576000      0.2604000       8.797000 0.3451000       8.355000      0.3901000      0.4420000      0.5209000
  1 1 1      13  -17    3 o    6.230000      0.3021000       6.418000 0.3818000       6.043000      0.4683000      0.3747000      0.6042000
  1 1 1      13  -17    4 o    2.100000      0.5751000       2.012000 0.7684000       2.188000      0.8558000     -0.1762000       1.150000
  1 1 1      13  -17    5 o    3.169000      0.5403000       4.129000 0.6193000       2.208000      0.8854000       1.921000       1.081000
  1 1 1      13  -17    6 o    5.723000      0.3631000       5.567000 0.4783000       5.879000      0.5466000     -0.3124000      0.7263000
  1 1 1      13  -17    7 o    4.754000      0.4260000       5.265000 0.4891000       4.243000      0.6976000       1.022000      0.8519000
  1 1 1      13  -17    8 o    6.301000      0.3533000       6.611000 0.4110000       5.991000      0.5748000      0.6198000      0.7067000
  1 1 1      13  -17    9 f    12.51000      0.3199000       12.44000 0.4380000       12.59000      0.4664000     -0.1468000      0.6399000
  1 1 1      13  -17   10 o    6.504000      0.3618000       6.644000 0.4719000       6.365000      0.5487000      0.2792000      0.7237000
  1 1 1      13  -17   11 o    3.967000      0.5270000       3.868000 0.7298000       4.066000      0.7606000     -0.1975000       1.054000
  1 1 1      13  -17   12 o    5.477000      0.3809000       5.680000 0.5122000       5.273000      0.5639000      0.4066000      0.7618000
  1 1 1      13  -17   13 o    3.024000      0.5808000       3.738000 0.7730000       2.310000      0.8671000       1.427000       1.162000
  1 1 1      13  -17   14 o    2.569000      0.6356000       2.433000 0.9110000       2.705000      0.8866000     -0.2722000       1.271000
  1 1 1      13  -17   15 o    8.297000      0.4099000       8.539000 0.5892000       8.055000      0.5702000      0.4838000      0.8199000
  1 1 1      13  -17   16 o    3.036000      0.6337000       2.968000 0.8993000       3.104000      0.8929000     -0.1363000       1.267000
  1 1 1      13  -17   17 o    3.108000      0.5672000       2.792000 0.8466000       3.424000      0.7551000     -0.6317000       1.134000
  1 1 1      13  -17   18 o    2.748000      0.5830000       3.250000 0.8118000       2.247000      0.8370000       1.003000       1.166000
  1 1 1      13  -17   19 o    2.279000      0.5960000       2.783000 0.9016000       1.776000      0.7798000       1.006000       1.192000
  1 1 1      13  -17   20 o    2.826000      0.6079000       2.757000 0.8842000       2.896000      0.8346000     -0.1391000       1.216000
  1 1 1      13  -17   21 o    2.316000      0.5646000       1.655000 0.7540000       2.976000      0.8405000      -1.321000       1.129000
  1 1 1      13  -17   22 o    4.889000      0.4717000       4.606000 0.7505000       5.172000      0.5717000     -0.5654000      0.9434000
  1 1 1      13  -17   23 o    2.851000      0.6320000       2.407000 0.9542000       3.296000      0.8289000     -0.8894000       1.264000
  1 1 1      13  -17   24 o    1.939000      0.6068000       2.070000 0.9109000       1.808000      0.8019000      0.2621000       1.214000
  1 1 1      13  -16    0 o    6.148000      0.2601000       5.604000 0.3617000       6.692000      0.3738000      -1.087000      0.5202000
  1 1 1      13  -16    1 o    11.42000      0.3408000                  ?       ?   11.42000      0.3408000                  ?              ?
  1 1 1      13  -16    2 o    7.509000      0.2586000       7.794000 0.3260000       7.225000      0.4014000      0.5695000      0.5171000
  1 1 1      13  -16    3 o    5.681000      0.3044000       5.442000 0.3906000       5.921000      0.4671000     -0.4791000      0.6089000
  1 1 1      13  -16    4 o    10.47000      0.2384000       10.28000 0.3159000       10.67000      0.3570000     -0.3900000      0.4767000
  1 1 1      13  -16    5 o    7.257000      0.2869000       6.904000 0.3755000       7.609000      0.4338000     -0.7050000      0.5738000
  1 1 1      13  -16    6 o    3.217000      0.5475000       3.828000 0.6471000       2.607000      0.8832000       1.222000       1.095000
  1 1 1      13  -16    7 o    4.936000      0.3876000       4.982000 0.4807000       4.890000      0.6082000      0.9213000E-01  0.7753000
  1 1 1      13  -16    8 o    1.903000      0.5461000       1.910000 0.7457000       1.897000      0.7979000      0.1232000E-01   1.092000
  1 1 1      13  -16    9 o    5.374000      0.3538000       5.617000 0.4386000       5.131000      0.5554000      0.4854000      0.7077000
  1 1 1      13  -16   10 o    8.614000      0.3254000       8.602000 0.4344000       8.625000      0.4845000     -0.2287000E-01  0.6507000
  1 1 1      13  -16   11 f    7.032000      0.3403000       7.664000 0.4422000       6.400000      0.5173000       1.264000      0.6805000
  1 1 1      13  -16   12 o    5.196000      0.3742000       5.254000 0.5125000       5.139000      0.5455000      0.1144000      0.7485000
  1 1 1      13  -16   13 o    4.114000      0.4668000       4.392000 0.6177000       3.836000      0.7000000      0.5562000      0.9335000
  1 1 1      13  -16   14 o    7.814000      0.3466000       7.500000 0.4914000       8.127000      0.4889000     -0.6273000      0.6932000
  1 1 1      13  -16   15 o    2.813000      0.6565000       2.826000 0.9903000       2.800000      0.8623000      0.2575000E-01   1.313000
  1 1 1      13  -16   16 o    6.430000      0.4540000       6.370000 0.6808000       6.489000      0.6008000     -0.1192000      0.9080000
  1 1 1      13  -16   17 o    7.187000      0.4362000       6.949000 0.6207000       7.425000      0.6131000     -0.4765000      0.8724000
  1 1 1      13  -16   18 o    4.917000      0.6021000       4.590000 0.9364000       5.244000      0.7571000     -0.6541000       1.204000
  1 1 1      13  -16   19 o    3.623000      0.8171000       3.352000 1.221000       3.895000       1.087000     -0.5436000       1.634000
  1 1 1      13  -16   20 o    2.992000      0.7599000       2.073000 0.9700000       3.911000       1.170000      -1.839000       1.520000
  1 1 1      13  -16   21 o    3.964000      0.7974000       4.993000 1.097000       2.935000       1.157000       2.058000       1.595000
  1 1 1      13  -16   22 o    5.265000      0.6221000       5.669000 0.4839000       4.860000       1.146000      0.8084000       1.244000
  1 1 1      13  -16   23 o    4.876000      0.4415000       4.427000 0.7541000       5.324000      0.4594000     -0.8965000      0.8830000
  1 1 1      13  -16   24 o    3.038000      0.6145000       2.523000 0.9634000       3.553000      0.7632000      -1.030000       1.229000
  1 1 1      13  -16   25 o    1.680000      0.5508000       1.866000 0.8443000       1.493000      0.7077000      0.3730000       1.102000
  1 1 1      13  -15    0 o    5.929000      0.2605000       6.004000 0.3463000       5.855000      0.3892000      0.1481000      0.5209000
  1 1 1      13  -15    1 o    3.203000      0.6031000                  ?       ?   3.203000      0.6031000                  ?              ?
  1 1 1      13  -15    2 o    6.568000      0.2505000       6.399000 0.3496000       6.737000      0.3589000     -0.3376000      0.5010000
  1 1 1      13  -15    3 o    5.955000      0.2835000       5.962000 0.3720000       5.948000      0.4278000      0.1396000E-01  0.5669000
  1 1 1      13  -15    4 o    17.26000      0.2721000       17.61000 0.3812000       16.91000      0.3885000      0.7007000      0.5443000
  1 1 1      13  -15    5 o    2.326000      0.5287000       2.618000 0.6979000       2.033000      0.7944000      0.5854000       1.057000
  1 1 1      13  -15    6 o    6.500000      0.2973000       6.624000 0.3550000       6.377000      0.4770000      0.2464000      0.5946000
  1 1 1      13  -15    7 o    6.006000      0.3071000       6.170000 0.3927000       5.842000      0.4721000      0.3281000      0.6141000
  1 1 1      13  -15    8 o    5.028000      0.3565000       4.945000 0.4556000       5.111000      0.5485000     -0.1660000      0.7130000
  1 1 1      13  -15    9 o    9.621000      0.2834000       9.414000 0.3673000       9.828000      0.4315000     -0.4142000      0.5667000
  1 1 1      13  -15   10 o    10.88000      0.2963000       11.01000 0.4124000       10.75000      0.4254000      0.2624000      0.5925000
  1 1 1      13  -15   11 o    7.907000      0.3073000       7.726000 0.4262000       8.088000      0.4429000     -0.3620000      0.6147000
  1 1 1      13  -15   12 o    2.073000      0.5667000       2.143000 0.7916000       2.003000      0.8111000      0.1398000       1.133000
  1 1 1      13  -15   13 o    7.942000      0.3157000       8.385000 0.4142000       7.499000      0.4765000      0.8862000      0.6313000
  1 1 1      13  -15   14 o    1.719000      0.5107000       2.151000 0.8122000       1.286000      0.6195000      0.8651000       1.021000
  1 1 1      13  -15   15 o    5.567000      0.3883000       5.060000 0.5546000       6.075000      0.5437000      -1.015000      0.7766000
  1 1 1      13  -15   16 o    8.623000      0.3115000       8.673000 0.3874000       8.572000      0.4878000      0.1012000      0.6230000
  1 1 1      13  -15   17 o    3.026000      0.5383000       3.234000 0.7620000       2.818000      0.7606000      0.4160000       1.077000
  1 1 1      13  -15   18 o    8.521000      0.2436000       8.891000 0.3383000       8.151000      0.3507000      0.7394000      0.4873000
  1 1 1      13  -15   19 o    2.449000      0.5359000       2.212000 0.7958000       2.686000      0.7180000     -0.4732000       1.072000
  1 1 1      13  -15   20 o    9.275000      0.2806000       9.205000 0.4072000       9.346000      0.3862000     -0.1416000      0.5612000
  1 1 1      13  -15   21 o    3.244000      0.5595000       3.205000 0.8670000       3.284000      0.7075000     -0.7889000E-01   1.119000
  1 1 1      13  -15   22 o    4.633000      0.4601000       4.972000 0.6947000       4.294000      0.6034000      0.6780000      0.9202000
  1 1 1      13  -15   23 o    7.038000      0.3617000       7.165000 0.5624000       6.912000      0.4549000      0.2529000      0.7233000
  1 1 1      13  -15   24 o    2.373000      0.6331000       2.162000 0.9181000       2.585000      0.8721000     -0.4224000       1.266000
  1 1 1      13  -15   25 o    3.542000      0.6166000       3.856000 0.8958000       3.228000      0.8477000      0.6279000       1.233000
  1 1 1      13  -15   26 o    2.495000      0.6657000       3.352000 1.094000       1.638000      0.7593000       1.714000       1.331000
  1 1 1      13  -14    0 o    7.427000      0.2271000       7.803000 0.3020000       7.050000      0.3393000      0.7536000      0.4543000
  1 1 1      13  -14    1 o    5.632000      0.2534000       5.839000 0.3220000       5.425000      0.3915000      0.4138000      0.5069000
  1 1 1      13  -14    2 o    2.085000      0.4767000       1.711000 0.6719000       2.460000      0.6763000     -0.7491000      0.9533000
  1 1 1      13  -14    3 o    9.764000      0.2184000       9.822000 0.2982000       9.706000      0.3191000      0.1165000      0.4368000
  1 1 1      13  -14    4 o    2.177000      0.4966000       1.683000 0.6553000       2.671000      0.7463000     -0.9882000      0.9932000
  1 1 1      13  -14    5 o    8.058000      0.2328000       8.269000 0.3012000       7.846000      0.3550000      0.4228000      0.4656000
  1 1 1      13  -14    6 o    6.010000      0.3217000       5.697000 0.4474000       6.323000      0.4623000     -0.6261000      0.6433000
  1 1 1      13  -14    7 o    1.989000      0.5316000       2.386000 0.7797000       1.592000      0.7229000      0.7941000       1.063000
  1 1 1      13  -14    8 o    5.882000      0.3282000       5.784000 0.4453000       5.980000      0.4823000     -0.1960000      0.6564000
  1 1 1      13  -14    9 o    9.084000      0.2607000       8.696000 0.3509000       9.471000      0.3856000     -0.7746000      0.5214000
  1 1 1      13  -14   10 f    4.524000      0.3644000       4.090000 0.4948000       4.959000      0.5350000     -0.8690000      0.7287000
  1 1 1      13  -14   11 o    4.361000      0.4137000       4.252000 0.5617000       4.469000      0.6076000     -0.2167000      0.8275000
  1 1 1      13  -14   12 o    2.709000      0.5460000       3.189000 0.7331000       2.229000      0.8094000      0.9604000       1.092000
  1 1 1      13  -14   13 f    3.390000      0.9639000       3.459000 1.458000       3.320000       1.261000      0.1393000       1.928000
  1 1 1      13  -14   14 o    3.882000      0.9552000       3.734000 1.388000       4.029000       1.312000     -0.2954000       1.910000
  1 1 1      13  -14   15 o    4.445000      0.7305000       5.488000 0.8358000       3.401000       1.198000       2.087000       1.461000
  1 1 1      13  -14   17 o    3.881000      0.5758000       4.292000 0.7066000       3.470000      0.9093000      0.8224000       1.152000
  1 1 1      13  -14   18 o    6.800000      0.2913000       6.730000 0.4486000       6.870000      0.3718000     -0.1399000      0.5827000
  1 1 1      13  -14   19 o    5.684000      0.2754000       6.069000 0.3902000       5.299000      0.3887000      0.7694000      0.5507000
  1 1 1      13  -14   20 o    5.731000      0.2713000       5.813000 0.4003000       5.648000      0.3661000      0.1656000      0.5425000
  1 1 1      13  -14   21 o    4.376000      0.3700000       4.422000 0.5590000       4.329000      0.4850000      0.9355000E-01  0.7401000
  1 1 1      13  -14   22 o    2.311000      0.5271000       1.918000 0.7944000       2.705000      0.6931000     -0.7872000       1.054000
  1 1 1      13  -14   23 o    2.884000      0.5856000       2.785000 0.8987000       2.984000      0.7510000     -0.1991000       1.171000
  1 1 1      13  -14   24 o    3.521000      0.5624000       3.357000 0.8852000       3.685000      0.6938000     -0.3286000       1.125000
  1 1 1      13  -14   25 o    2.155000      0.6194000       2.360000 0.9332000       1.950000      0.8149000      0.4094000       1.239000
  1 1 1      13  -14   26 o    2.216000      0.6356000       2.527000 0.9787000       1.906000      0.8114000      0.6212000       1.271000
  1 1 1      13  -14   27 o    2.370000      0.9749000       2.370000 0.9749000                  ?              ?              ?              ?
  1 1 1      13  -13    0 o    3.072000      0.3968000       2.855000 0.5785000       3.289000      0.5432000     -0.4338000      0.7935000
  1 1 1      13  -13    1 o    11.21000      0.2140000       11.40000 0.2957000       11.02000      0.3094000      0.3782000      0.4280000
  1 1 1      13  -13    2 o    5.843000      0.2365000       5.691000 0.3447000       5.995000      0.3238000     -0.3033000      0.4729000
  1 1 1      13  -13    3 o    4.629000      0.4338000       4.243000 0.5964000       5.015000      0.6301000     -0.7720000      0.8676000
  1 1 1      13  -13    4 o    8.455000      0.2913000       8.327000 0.3781000       8.583000      0.4432000     -0.2558000      0.5826000
  1 1 1      13  -13    5 o    2.046000      0.5236000       1.803000 0.6334000       2.288000      0.8340000     -0.4855000       1.047000
  1 1 1      13  -13    6 o    8.478000      0.2150000       8.696000 0.2899000       8.261000      0.3177000      0.4354000      0.4301000
  1 1 1      13  -13    7 o    11.42000      0.2341000       11.74000 0.3115000       11.09000      0.3495000      0.6563000      0.4682000
  1 1 1      13  -13    8 f    2.751000      0.5101000       2.952000 0.6748000       2.550000      0.7652000      0.4019000       1.020000
  1 1 1      13  -13    9 f    6.077000      0.7659000       5.749000 0.8897000       6.406000       1.247000     -0.6568000       1.532000
  1 1 1      13  -13   10 o    3.325000       1.032000       2.695000 1.222000       3.955000       1.663000      -1.260000       2.064000
  1 1 1      13  -13   11 o    6.015000       1.169000       6.338000 1.372000       5.693000       1.893000      0.6451000       2.338000
  1 1 1      13  -13   12 o    2.241000      0.5536000       2.367000 0.7665000       2.115000      0.7990000      0.2515000       1.107000
  1 1 1      13  -13   13 o    8.625000      0.2812000       8.668000 0.3754000       8.583000      0.4187000      0.8492000E-01  0.5624000
  1 1 1      13  -13   14 o    7.614000      0.2802000       7.913000 0.3798000       7.315000      0.4121000      0.5978000      0.5604000
  1 1 1      13  -13   15 o    9.674000      0.2933000       9.781000 0.4249000       9.567000      0.4045000      0.2136000      0.5867000
  1 1 1      13  -13   16 o    6.827000      0.2933000       7.029000 0.3911000       6.626000      0.4372000      0.4028000      0.5866000
  1 1 1      13  -13   17 o    7.175000      0.2464000       7.196000 0.3335000       7.154000      0.3629000      0.4250000E-01  0.4929000
  1 1 1      13  -13   18 o    5.450000      0.2807000       5.340000 0.4001000       5.561000      0.3939000     -0.2201000      0.5614000
  1 1 1      13  -13   19 o    7.561000      0.2207000       7.364000 0.3232000       7.757000      0.3005000     -0.3927000      0.4413000
  1 1 1      13  -13   20 o    8.767000      0.2357000       9.297000 0.3578000       8.237000      0.3070000       1.059000      0.4715000
  1 1 1      13  -13   21 o    5.409000      0.2720000       5.616000 0.4111000       5.202000      0.3563000      0.4141000      0.5440000
  1 1 1      13  -13   22 o    3.544000      0.4499000       3.066000 0.7803000       4.022000      0.4480000     -0.9558000      0.8998000
  1 1 1      13  -13   23 o    3.373000      0.4697000       2.711000 0.8072000       4.034000      0.4807000      -1.324000      0.9395000
  1 1 1      13  -13   24 o    2.283000      0.5727000       2.407000 0.8613000       2.159000      0.7551000      0.2486000       1.145000
  1 1 1      13  -13   25 o    2.502000      0.6011000       2.376000 0.8908000       2.628000      0.8071000     -0.2515000       1.202000
  1 1 1      13  -13   26 o    2.773000      0.6435000       2.785000 0.9868000       2.761000      0.8263000      0.2443000E-01   1.287000
  1 1 1      13  -13   27 f    2.355000      0.5873000       1.994000 0.8590000       2.716000      0.8010000     -0.7218000       1.175000
  1 1 1      13  -13   28 o    2.639000      0.9844000       2.639000 0.9844000                  ?              ?              ?              ?
  1 1 1      13  -12    0 o    5.577000      0.5059000       5.577000 0.5059000                  ?              ?              ?              ?
  1 1 1      13  -12    1 o    2.271000      0.5536000       1.475000 0.6731000       3.068000      0.8792000      -1.593000       1.107000
  1 1 1      13  -12    2 o    3.314000      0.8529000                  ?       ?   3.314000      0.8529000                  ?              ?
  1 1 1      13  -12    3 o    5.943000      0.2214000       5.807000 0.3137000       6.079000      0.3124000     -0.2717000      0.4427000
  1 1 1      13  -12    4 o    8.840000      0.1969000       9.002000 0.2721000       8.679000      0.2847000      0.3230000      0.3938000
  1 1 1      13  -12    5 o    5.317000      0.3510000       5.406000 0.4651000       5.228000      0.5259000      0.1778000      0.7021000
  1 1 1      13  -12    6 o    2.208000      0.5632000       1.725000 0.7495000       2.691000      0.8408000     -0.9657000       1.126000
  1 1 1      13  -12    7 o    7.012000      0.3268000       7.173000 0.4282000       6.851000      0.4939000      0.3216000      0.6537000
  1 1 1      13  -12    8 o    3.324000      0.4397000       3.824000 0.4827000       2.824000      0.7351000      0.9999000      0.8794000
  1 1 1      13  -12    9 o    8.422000      0.2410000       8.194000 0.3208000       8.651000      0.3598000     -0.4569000      0.4821000
  1 1 1      13  -12   10 o    4.567000      0.3329000       4.781000 0.3983000       4.352000      0.5337000      0.4288000      0.6659000
  1 1 1      13  -12   11 o    2.035000      0.4938000       1.437000 0.6273000       2.632000      0.7628000      -1.195000      0.9876000
  1 1 1      13  -12   12 o    3.895000      0.4130000       3.793000 0.5516000       3.996000      0.6147000     -0.2033000      0.8259000
  1 1 1      13  -12   13 o    2.323000      0.5343000       2.197000 0.7261000       2.450000      0.7841000     -0.2524000       1.069000
  1 1 1      13  -12   14 o    6.862000      0.2715000       6.926000 0.3687000       6.799000      0.3986000      0.1276000      0.5430000
  1 1 1      13  -12   15 o    3.561000      0.4330000       3.749000 0.5777000       3.373000      0.6451000      0.3759000      0.8660000
  1 1 1      13  -12   16 o    5.690000      0.3105000       5.932000 0.3922000       5.447000      0.4815000      0.4851000      0.6210000
  1 1 1      13  -12   17 o    8.870000      0.2695000       9.475000 0.2911000       8.264000      0.4537000       1.211000      0.5391000
  1 1 1      13  -12   18 o    6.669000      0.2271000       6.622000 0.3238000       6.716000      0.3185000     -0.9423000E-01  0.4542000
  1 1 1      13  -12   19 o    4.209000      0.2955000       4.060000 0.4500000       4.358000      0.3831000     -0.2983000      0.5910000
  1 1 1      13  -12   20 o    6.264000      0.2317000       6.176000 0.3339000       6.353000      0.3213000     -0.1764000      0.4634000
  1 1 1      13  -12   21 o    2.398000      0.4672000       2.909000 0.6824000       1.887000      0.6383000       1.021000      0.9344000
  1 1 1      13  -12   22 o    8.436000      0.2536000       8.051000 0.3851000       8.822000      0.3302000     -0.7710000      0.5073000
  1 1 1      13  -12   23 o    2.894000      0.4471000       2.009000 0.7674000       3.779000      0.4589000      -1.770000      0.8942000
  1 1 1      13  -12   24 o    1.885000      0.5254000       1.857000 0.7736000       1.912000      0.7111000     -0.5486000E-01   1.051000
  1 1 1      13  -12   25 o    3.299000      0.5394000       2.954000 0.8935000       3.644000      0.6048000     -0.6906000       1.079000
  1 1 1      13  -12   26 o    3.883000      0.5415000       2.876000 0.9671000       4.890000      0.4877000      -2.014000       1.083000
  1 1 1      13  -12   27 o    5.760000      0.3791000       5.589000 0.6188000       5.931000      0.4382000     -0.3427000      0.7582000
  1 1 1      13  -12   28 o    4.325000      0.5010000       3.904000 0.8391000       4.746000      0.5478000     -0.8428000       1.002000
  1 1 1      13  -12   29 o    2.191000      0.6043000       2.648000 0.9487000       1.734000      0.7487000      0.9135000       1.209000
  1 1 1      13  -11    0 o    4.265000      0.3967000       4.265000 0.3967000                  ?              ?              ?              ?
  1 1 1      13  -11    1 f    6.071000      0.2113000       6.101000 0.3015000       6.041000      0.2961000      0.6036000E-01  0.4226000
  1 1 1      13  -11    2 o    3.758000      0.4697000                  ?       ?   3.758000      0.4697000                  ?              ?
  1 1 1      13  -11    3 o    8.710000      0.2594000       9.116000 0.3810000       8.304000      0.3522000      0.8117000      0.5188000
  1 1 1      13  -11    4 o    9.983000      0.2611000       10.09000 0.3742000       9.873000      0.3643000      0.2195000      0.5222000
  1 1 1      13  -11    5 o    9.388000      0.1892000       9.575000 0.2612000       9.201000      0.2739000      0.3743000      0.3785000
  1 1 1      13  -11    6 f    10.74000      0.2020000       10.87000 0.2761000       10.62000      0.2951000      0.2514000      0.4041000
  1 1 1      13  -11    7 o    8.007000      0.1998000       8.139000 0.2696000       7.875000      0.2950000      0.2636000      0.3997000
  1 1 1      13  -11    8 o    5.038000      0.2589000       5.006000 0.3304000       5.070000      0.3986000     -0.6418000E-01  0.5177000
  1 1 1      13  -11    9 o    6.271000      0.2506000       6.590000 0.3060000       5.952000      0.3969000      0.6380000      0.5012000
  1 1 1      13  -11   10 o    1.633000      0.4610000       1.768000 0.6471000       1.497000      0.6566000      0.2709000      0.9219000
  1 1 1      13  -11   11 o    7.883000      0.2432000       7.922000 0.3149000       7.843000      0.3708000      0.7904000E-01  0.4865000
  1 1 1      13  -11   12 o    4.791000      0.3049000       4.729000 0.4070000       4.853000      0.4541000     -0.1243000      0.6098000
  1 1 1      13  -11   13 f    2.628000      0.5094000       2.775000 0.6727000       2.481000      0.7652000      0.2941000       1.019000
  1 1 1      13  -11   14 o    8.945000      0.2543000       9.073000 0.3396000       8.816000      0.3786000      0.2577000      0.5086000
  1 1 1      13  -11   15 o    10.85000      0.2622000       10.46000 0.3417000       11.24000      0.3978000     -0.7795000      0.5244000
  1 1 1      13  -11   16 f    2.236000      0.5428000       2.125000 0.7542000       2.348000      0.7808000     -0.2231000       1.086000
  1 1 1      13  -11   17 o    4.125000      0.3153000       3.953000 0.4467000       4.297000      0.4450000     -0.3448000      0.6305000
  1 1 1      13  -11   18 o    5.567000      0.2441000       5.697000 0.3317000       5.437000      0.3582000      0.2599000      0.4882000
  1 1 1      13  -11   19 o    4.863000      0.2367000       4.953000 0.3416000       4.773000      0.3277000      0.1794000      0.4733000
  1 1 1      13  -11   20 o    1.931000      0.4569000       1.930000 0.6713000       1.932000      0.6199000     -0.1973000E-02  0.9137000
  1 1 1      13  -11   21 o    5.792000      0.2333000       5.684000 0.3701000       5.901000      0.2841000     -0.2168000      0.4666000
  1 1 1      13  -11   22 o    3.266000      0.4139000       2.886000 0.7106000       3.646000      0.4246000     -0.7603000      0.8278000
  1 1 1      13  -11   23 o    4.389000      0.3152000       4.536000 0.4983000       4.241000      0.3860000      0.2947000      0.6303000
  1 1 1      13  -11   24 o    1.199000      0.4044000       1.141000 0.5618000       1.256000      0.5818000     -0.1150000      0.8088000
  1 1 1      13  -11   25 o    1.948000      0.5282000       1.686000 0.7559000       2.211000      0.7381000     -0.5243000       1.056000
  1 1 1      13  -11   26 o    1.979000      0.5390000       1.808000 0.8055000       2.150000      0.7164000     -0.3416000       1.078000
  1 1 1      13  -11   27 o    2.648000      0.5551000       2.066000 0.8675000       3.231000      0.6926000      -1.166000       1.110000
  1 1 1      13  -11   28 o    2.252000      0.5712000       1.934000 0.8307000       2.570000      0.7841000     -0.6356000       1.142000
  1 1 1      13  -11   29 o    2.154000      0.6090000       2.554000 0.9485000       1.754000      0.7641000      0.8000000       1.218000
  1 1 1      13  -11   30 o    2.139000      0.5300000       1.458000 0.7138000       2.820000      0.7837000      -1.363000       1.060000
  1 1 1      13  -10    0 o    4.891000      0.3048000       5.166000 0.4573000       4.615000      0.4031000      0.5514000      0.6096000
  1 1 1      13  -10    1 o    10.59000      0.2709000       10.69000 0.3975000       10.49000      0.3681000      0.2020000      0.5418000
  1 1 1      13  -10    2 o    8.128000      0.1894000       8.095000 0.2678000       8.162000      0.2680000     -0.6700000E-01  0.3788000
  1 1 1      13  -10    3 o    2.421000      0.3844000       2.668000 0.5223000       2.173000      0.5641000      0.4952000      0.7688000
  1 1 1      13  -10    4 o    11.57000      0.2014000       11.67000 0.2838000       11.47000      0.2857000      0.2002000      0.4027000
  1 1 1      13  -10    5 o    7.127000      0.1898000       7.379000 0.2607000       6.875000      0.2760000      0.5039000      0.3797000
  1 1 1      13  -10    6 o    3.696000      0.2587000       3.704000 0.3490000       3.687000      0.3820000      0.1642000E-01  0.5174000
  1 1 1      13  -10    7 o    8.220000      0.1898000       8.306000 0.2598000       8.134000      0.2767000      0.1718000      0.3796000
  1 1 1      13  -10    8 o    9.304000      0.1895000       9.681000 0.2606000       8.928000      0.2754000      0.7535000      0.3791000
  1 1 1      13  -10    9 o    9.719000      0.2088000       9.905000 0.2707000       9.532000      0.3180000      0.3724000      0.4176000
  1 1 1      13  -10   10 o    1.841000      0.4802000       1.504000 0.6070000       2.177000      0.7442000     -0.6730000      0.9603000
  1 1 1      13  -10   11 o    6.236000      0.2482000       5.799000 0.3209000       6.673000      0.3788000     -0.8745000      0.4964000
  1 1 1      13  -10   12 f    9.025000      0.2413000       9.020000 0.3164000       9.030000      0.3644000     -0.1002000E-01  0.4825000
  1 1 1      13  -10   13 o    5.937000      0.2663000       6.313000 0.3487000       5.560000      0.4024000      0.7526000      0.5325000
  1 1 1      13  -10   14 o    2.099000      0.4802000       1.588000 0.6426000       2.610000      0.7139000      -1.022000      0.9605000
  1 1 1      13  -10   15 o    13.59000      0.2974000       13.65000 0.4186000       13.54000      0.4227000      0.1105000      0.5949000
  1 1 1      13  -10   16 o    3.146000      0.4357000       3.131000 0.5939000       3.160000      0.6376000     -0.2894000E-01  0.8713000
  1 1 1      13  -10   17 o    1.566000      0.4469000       1.318000 0.5866000       1.815000      0.6743000     -0.4972000      0.8938000
  1 1 1      13  -10   18 o    1.599000      0.4427000       1.634000 0.6193000       1.565000      0.6327000      0.6966000E-01  0.8854000
  1 1 1      13  -10   19 o    4.386000      0.2296000       4.655000 0.3169000       4.117000      0.3322000      0.5386000      0.4591000
  1 1 1      13  -10   20 o    6.300000      0.2061000       6.258000 0.3079000       6.342000      0.2741000     -0.8390000E-01  0.4123000
  1 1 1      13  -10   21 o    8.572000      0.2086000       8.286000 0.3147000       8.858000      0.2738000     -0.5723000      0.4171000
  1 1 1      13  -10   22 o    8.294000      0.2296000       8.519000 0.3639000       8.069000      0.2800000      0.4500000      0.4592000
  1 1 1      13  -10   23 o    9.594000      0.2512000       9.183000 0.3729000       10.00000      0.3365000     -0.8211000      0.5023000
  1 1 1      13  -10   24 o    2.212000      0.5297000       2.335000 0.8052000       2.089000      0.6884000      0.2453000       1.059000
  1 1 1      13  -10   25 o    1.893000      0.5139000       1.749000 0.7632000       2.037000      0.6884000     -0.2880000       1.028000
  1 1 1      13  -10   26 o    1.674000      0.5109000       1.763000 0.7866000       1.584000      0.6523000      0.1789000       1.022000
  1 1 1      13  -10   27 o    2.393000      0.5638000       2.228000 0.8633000       2.559000      0.7254000     -0.3311000       1.128000
  1 1 1      13  -10   28 o    2.141000      0.5846000       2.474000 0.9136000       1.808000      0.7297000      0.6661000       1.169000
  1 1 1      13  -10   29 f    4.096000      0.6863000       4.096000 0.6863000                  ?              ?              ?              ?
  1 1 1      13  -10   30 o    3.476000      0.5059000       2.767000 0.8431000       4.185000      0.5595000      -1.418000       1.012000
  1 1 1      13  -10   31 o    2.220000      0.5988000       2.728000 0.9481000       1.713000      0.7316000       1.015000       1.198000
  1 1 1      13   -9    0 o    5.490000      0.2145000       5.425000 0.3042000       5.555000      0.3026000     -0.1296000      0.4291000
  1 1 1      13   -9    1 o    8.364000      0.1899000       8.499000 0.2696000       8.228000      0.2674000      0.2709000      0.3797000
  1 1 1      13   -9    2 o    8.384000      0.1870000       8.427000 0.2629000       8.341000      0.2659000      0.8623000E-01  0.3739000
  1 1 1      13   -9    3 o    5.512000      0.2027000       5.509000 0.2880000       5.516000      0.2853000     -0.6514000E-02  0.4054000
  1 1 1      13   -9    4 o    4.403000      0.2176000       4.466000 0.3016000       4.341000      0.3137000      0.1248000      0.4352000
  1 1 1      13   -9    5 o    7.008000      0.1773000       7.149000 0.2438000       6.867000      0.2574000      0.2816000      0.3545000
  1 1 1      13   -9    6 o    4.570000      0.2140000       4.472000 0.3015000       4.667000      0.3038000     -0.1948000      0.4280000
  1 1 1      13   -9    7 o    5.719000      0.1914000       5.920000 0.2542000       5.518000      0.2862000      0.4016000      0.3828000
  1 1 1      13   -9    8 o    11.40000      0.1970000       11.45000 0.2730000       11.35000      0.2840000      0.9942000E-01  0.3939000
  1 1 1      13   -9    9 o    2.879000      0.3452000       3.114000 0.3964000       2.644000      0.5652000      0.4700000      0.6903000
  1 1 1      13   -9   10 o    5.373000      0.2350000       5.075000 0.3068000       5.672000      0.3560000     -0.5976000      0.4700000
  1 1 1      13   -9   11 o    6.405000      0.2435000       6.281000 0.3241000       6.528000      0.3636000     -0.2469000      0.4871000
  1 1 1      13   -9   12 o    6.339000      0.2404000       6.277000 0.3092000       6.401000      0.3682000     -0.1247000      0.4808000
  1 1 1      13   -9   13 o    9.935000      0.2367000       9.680000 0.3106000       10.19000      0.3573000     -0.5095000      0.4734000
  1 1 1      13   -9   14 o    1.880000      0.4728000       1.626000 0.6315000       2.135000      0.7037000     -0.5081000      0.9455000
  1 1 1      13   -9   15 o    7.872000      0.2336000       8.012000 0.3105000       7.732000      0.3491000      0.2799000      0.4672000
  1 1 1      13   -9   16 o    4.670000      0.2719000       4.501000 0.3674000       4.840000      0.4010000     -0.3393000      0.5439000
  1 1 1      13   -9   17 o    6.385000      0.2522000       6.276000 0.2861000       6.494000      0.4154000     -0.2181000      0.5044000
  1 1 1      13   -9   18 o    4.472000      0.2291000       4.368000 0.3281000       4.577000      0.3200000     -0.2084000      0.4583000
  1 1 1      13   -9   19 o    4.515000      0.2139000       4.334000 0.3175000       4.696000      0.2867000     -0.3620000      0.4277000
  1 1 1      13   -9   20 o    13.39000      0.2262000       13.19000 0.3328000       13.59000      0.3064000     -0.3976000      0.4524000
  1 1 1      13   -9   21 o    9.093000      0.2067000       9.103000 0.3127000       9.083000      0.2704000      0.1998000E-01  0.4134000
  1 1 1      13   -9   22 o    6.497000      0.2283000       6.599000 0.3604000       6.394000      0.2802000      0.2054000      0.4565000
  1 1 1      13   -9   23 o    2.063000      0.4934000       2.391000 0.7464000       1.734000      0.6453000      0.6564000      0.9867000
  1 1 1      13   -9   24 o    7.407000      0.2622000       7.587000 0.4149000       7.227000      0.3209000      0.3599000      0.5245000
  1 1 1      13   -9   25 f    5.470000      0.3380000       5.668000 0.5511000       5.272000      0.3916000      0.3962000      0.6760000
  1 1 1      13   -9   26 o    3.362000      0.4751000       2.224000 0.8595000       4.499000      0.4049000      -2.275000      0.9501000
  1 1 1      13   -9   27 o    1.815000      0.5209000       1.688000 0.7652000       1.943000      0.7071000     -0.2548000       1.042000
  1 1 1      13   -9   28 o    2.715000      0.5827000       2.796000 0.8874000       2.635000      0.7554000      0.1611000       1.165000
  1 1 1      13   -9   29 o    2.435000      0.8421000       2.435000 0.8421000                  ?              ?              ?              ?
  1 1 1      13   -9   30 o    2.152000      0.5456000       1.845000 0.7770000       2.459000      0.7663000     -0.6146000       1.091000
  1 1 1      13   -9   31 o    1.820000      0.7344000                  ?       ?   1.820000      0.7344000                  ?              ?
  1 1 1      13   -8    0 o    8.527000      0.1937000       8.686000 0.2716000       8.369000      0.2761000      0.3175000      0.3873000
  1 1 1      13   -8    1 o    12.18000      0.2928000       12.18000 0.2928000                  ?              ?              ?              ?
  1 1 1      13   -8    2 f    7.591000      0.1845000       7.350000 0.2613000       7.831000      0.2606000     -0.4813000      0.3690000
  1 1 1      13   -8    3 o    11.53000      0.2819000                  ?       ?   11.53000      0.2819000                  ?              ?
  1 1 1      13   -8    4 o    8.712000      0.1780000       8.608000 0.2520000       8.816000      0.2514000     -0.2076000      0.3560000
  1 1 1      13   -8    5 o    8.260000      0.1728000       8.337000 0.2406000       8.183000      0.2480000      0.1540000      0.3455000
  1 1 1      13   -8    6 o    6.493000      0.1754000       6.544000 0.2437000       6.443000      0.2524000      0.1005000      0.3508000
  1 1 1      13   -8    7 o    6.599000      0.1720000       6.514000 0.2363000       6.683000      0.2501000     -0.1692000      0.3441000
  1 1 1      13   -8    8 o    6.518000      0.1778000       6.371000 0.2386000       6.664000      0.2638000     -0.2924000      0.3557000
  1 1 1      13   -8    9 o    3.973000      0.2522000       4.123000 0.3147000       3.824000      0.3942000      0.2995000      0.5044000
  1 1 1      13   -8   10 o    2.662000      0.3735000       3.173000 0.4037000       2.150000      0.6284000       1.023000      0.7469000
  1 1 1      13   -8   11 o    7.865000      0.4192000       7.939000 0.4636000       7.791000      0.6986000      0.1477000      0.8384000
  1 1 1      13   -8   12 o    11.42000      0.2458000       11.41000 0.3130000       11.43000      0.3790000     -0.2061000E-01  0.4916000
  1 1 1      13   -8   13 o    8.043000      0.4773000       7.479000 0.8977000       8.608000      0.3247000      -1.129000      0.9546000
  1 1 1      13   -8   14 o    3.804000      0.3189000       3.154000 0.4831000       4.454000      0.4165000      -1.300000      0.6379000
  1 1 1      13   -8   15 o    6.964000      0.2230000       6.755000 0.2999000       7.174000      0.3303000     -0.4192000      0.4461000
  1 1 1      13   -8   16 o    4.311000      0.2587000       4.421000 0.3284000       4.202000      0.3998000      0.2183000      0.5174000
  1 1 1      13   -8   17 o    16.08000      0.3348000       16.16000 0.4781000       15.99000      0.4688000      0.1708000      0.6696000
  1 1 1      13   -8   18 o    5.636000      0.1843000       5.483000 0.2699000       5.789000      0.2511000     -0.3058000      0.3687000
  1 1 1      13   -8   19 o    2.187000      0.3410000       2.486000 0.4381000       1.887000      0.5227000      0.5993000      0.6820000
  1 1 1      13   -8   20 o    7.407000      0.1813000       7.350000 0.2735000       7.465000      0.2380000     -0.1154000      0.3626000
  1 1 1      13   -8   21 o    11.41000      0.4328000       10.72000 0.7166000       12.11000      0.4854000      -1.383000      0.8655000
  1 1 1      13   -8   22 o    5.689000      0.7116000       4.950000 1.141000       6.427000      0.8501000      -1.477000       1.423000
  1 1 1      13   -8   23 o    3.382000      0.8386000       3.845000 1.161000       2.920000       1.211000      0.9254000       1.677000
  1 1 1      13   -8   25 o    3.093000      0.8725000       2.991000 1.277000       3.195000       1.189000     -0.2040000       1.745000
  1 1 1      13   -8   26 o    5.780000      0.7785000       4.677000 1.353000       6.882000      0.7710000      -2.206000       1.557000
  1 1 1      13   -8   27 o    3.752000      0.5217000       3.516000 0.9125000       3.989000      0.5059000     -0.4739000       1.043000
  1 1 1      13   -8   28 f    2.247000      0.5545000       2.447000 0.8365000       2.047000      0.7280000      0.3992000       1.109000
  1 1 1      13   -8   29 o    6.896000      0.2767000       6.524000 0.4278000       7.269000      0.3510000     -0.7450000      0.5533000
  1 1 1      13   -8   30 o    6.719000      0.2641000       6.244000 0.4168000       7.194000      0.3245000     -0.9507000      0.5282000
  1 1 1      13   -8   31 o    2.885000      0.5185000       2.248000 0.8653000       3.523000      0.5714000      -1.276000       1.037000
  1 1 1      13   -8   32 o    5.102000      0.2909000       5.068000 0.4201000       5.135000      0.4026000     -0.6780000E-01  0.5819000
  1 1 1      13   -7    0 f    9.130000      0.1906000       9.378000 0.2681000       8.883000      0.2710000      0.4944000      0.3812000
  1 1 1      13   -7    1 o    10.41000      0.2741000       10.41000 0.2741000                  ?              ?              ?              ?
  1 1 1      13   -7    2 o    5.550000      0.2047000       5.616000 0.2875000       5.485000      0.2914000      0.1310000      0.4093000
  1 1 1      13   -7    3 o    6.742000      0.2626000                  ?       ?   6.742000      0.2626000                  ?              ?
  1 1 1      13   -7    4 o    8.533000      0.1767000       8.692000 0.2488000       8.374000      0.2510000      0.3180000      0.3534000
  1 1 1      13   -7    5 o    6.632000      0.1756000       6.981000 0.2449000       6.283000      0.2517000      0.6977000      0.3511000
  1 1 1      13   -7    6 o    12.44000      0.1973000       12.57000 0.2783000       12.32000      0.2798000      0.2466000      0.3946000
  1 1 1      13   -7    7 o    11.86000      0.1912000       11.95000 0.2679000       11.77000      0.2729000      0.1797000      0.3824000
  1 1 1      13   -7    8 o    6.397000      0.1672000       6.396000 0.2284000       6.398000      0.2442000     -0.2225000E-02  0.3343000
  1 1 1      13   -7    9 o    4.434000      0.2197000       4.552000 0.2762000       4.316000      0.3417000      0.2356000      0.4393000
  1 1 1      13   -7   10 o    5.879000      0.1842000       5.949000 0.2376000       5.808000      0.2815000      0.1412000      0.3683000
  1 1 1      13   -7   11 o    7.753000      0.1957000       7.697000 0.2481000       7.810000      0.3027000     -0.1134000      0.3914000
  1 1 1      13   -7   12 o    1.560000      0.4206000       1.458000 0.5502000       1.661000      0.6364000     -0.2031000      0.8413000
  1 1 1      13   -7   13 o    7.120000      0.2153000       7.070000 0.2857000       7.170000      0.3221000     -0.9961000E-01  0.4306000
  1 1 1      13   -7   14 o    4.418000      0.2604000       4.725000 0.3264000       4.112000      0.4059000      0.6132000      0.5208000
  1 1 1      13   -7   15 o    4.801000      0.2659000       5.430000 0.3167000       4.173000      0.4273000       1.256000      0.5318000
  1 1 1      13   -7   16 o    1.348000      0.4085000       1.263000 0.5493000       1.432000      0.6048000     -0.1683000      0.8170000
  1 1 1      13   -7   17 o    4.781000      0.2661000       4.828000 0.3714000       4.733000      0.3811000      0.9489000E-01  0.5321000
  1 1 1      13   -7   18 o    2.848000      0.4984000       2.628000 0.7545000       3.067000      0.6512000     -0.4388000      0.9967000
  1 1 1      13   -7   19 o    6.127000      0.1498000       5.971000 0.2143000       6.283000      0.2093000     -0.3124000      0.2995000
  1 1 1      13   -7   20 o    8.918000      0.1800000       8.972000 0.2675000       8.864000      0.2409000      0.1080000      0.3600000
  1 1 1      13   -7   21 o    9.376000      0.1995000       9.407000 0.3085000       9.344000      0.2529000      0.6326000E-01  0.3989000
  1 1 1      13   -7   22 o    2.826000      0.3900000       2.535000 0.6640000       3.118000      0.4095000     -0.5826000      0.7801000
  1 1 1      13   -7   23 o    5.936000      0.2489000       6.144000 0.4074000       5.728000      0.2859000      0.4159000      0.4977000
  1 1 1      13   -7   24 o    5.299000      0.2840000       5.161000 0.4659000       5.436000      0.3249000     -0.2748000      0.5680000
  1 1 1      13   -7   25 o    8.584000      0.2692000       8.532000 0.4158000       8.636000      0.3419000     -0.1040000      0.5384000
  1 1 1      13   -7   26 o    3.434000      0.4589000       3.463000 0.7496000       3.405000      0.5294000      0.5761000E-01  0.9178000
  1 1 1      13   -7   27 o    5.052000      0.3102000       4.611000 0.5132000       5.494000      0.3488000     -0.8832000      0.6205000
  1 1 1      13   -7   28 o    3.246000      0.7130000       3.036000 1.041000       3.455000      0.9752000     -0.4191000       1.426000
  1 1 1      13   -7   30 o    2.082000      0.5994000       2.059000 0.8494000       2.106000      0.8460000     -0.4631000E-01   1.199000
  1 1 1      13   -7   31 o    5.282000      0.4134000       4.531000 0.6637000       6.033000      0.4929000      -1.502000      0.8267000
  1 1 1      13   -7   32 o    4.996000      0.3831000       4.595000 0.5556000       5.397000      0.5275000     -0.8027000      0.7661000
  1 1 1      13   -6    0 o    7.531000      0.1904000       7.618000 0.2642000       7.444000      0.2742000      0.1733000      0.3807000
  1 1 1      13   -6    1 o    11.41000      0.2006000       11.40000 0.2812000       11.41000      0.2861000     -0.1623000E-01  0.4011000
  1 1 1      13   -6    2 o    7.981000      0.1824000       7.960000 0.2550000       8.002000      0.2609000     -0.4208000E-01  0.3648000
  1 1 1      13   -6    3 o    10.21000      0.1876000       10.07000 0.2634000       10.35000      0.2673000     -0.2733000      0.3752000
  1 1 1      13   -6    4 o    6.587000      0.1772000       6.515000 0.2472000       6.659000      0.2540000     -0.1436000      0.3544000
  1 1 1      13   -6    5 o    1.215000      0.3598000       1.225000 0.5142000       1.204000      0.5035000      0.2035000E-01  0.7197000
  1 1 1      13   -6    6 o    12.32000      0.1948000       12.36000 0.2740000       12.29000      0.2770000      0.7195000E-01  0.3896000
  1 1 1      13   -6    7 o    12.12000      0.1918000       12.13000 0.2685000       12.11000      0.2740000      0.2902000E-01  0.3836000
  1 1 1      13   -6    8 o    6.774000      0.1627000       6.794000 0.2225000       6.755000      0.2373000      0.3905000E-01  0.3253000
  1 1 1      13   -6    9 o    5.163000      0.1699000       5.247000 0.2316000       5.079000      0.2487000      0.1684000      0.3398000
  1 1 1      13   -6   10 o    2.365000      0.3514000       1.998000 0.5161000       2.732000      0.4770000     -0.7335000      0.7028000
  1 1 1      13   -6   12 o    5.150000      0.2330000       4.999000 0.2954000       5.301000      0.3605000     -0.3017000      0.4660000
  1 1 1      13   -6   13 o    3.671000      0.2768000       3.561000 0.3461000       3.781000      0.4320000     -0.2197000      0.5536000
  1 1 1      13   -6   14 o    5.369000      0.2293000       5.599000 0.2858000       5.138000      0.3586000      0.4611000      0.4585000
  1 1 1      13   -6   15 o    4.444000      0.2328000       4.289000 0.3123000       4.599000      0.3453000     -0.3101000      0.4656000
  1 1 1      13   -6   16 o    9.528000      0.2203000       9.874000 0.3298000       9.182000      0.2920000      0.6927000      0.4405000
  1 1 1      13   -6   17 f    4.957000      0.1608000       5.110000 0.2105000       4.805000      0.2431000      0.3046000      0.3215000
  1 1 1      13   -6   18 o    2.984000      0.2490000       3.040000 0.3456000       2.929000      0.3587000      0.1114000      0.4981000
  1 1 1      13   -6   19 o    9.198000      0.2032000       9.540000 0.2984000       8.856000      0.2758000      0.6837000      0.4063000
  1 1 1      13   -6   20 o    11.04000      0.2347000       10.78000 0.3326000       11.30000      0.3312000     -0.5163000      0.4693000
  1 1 1      13   -6   21 o    5.379000      0.2149000       5.363000 0.3300000       5.395000      0.2753000     -0.3189000E-01  0.4298000
  1 1 1      13   -6   22 o    7.729000      0.2142000       8.062000 0.3224000       7.397000      0.2820000      0.6654000      0.4283000
  1 1 1      13   -6   23 o    11.75000      0.2635000       12.07000 0.3936000       11.44000      0.3504000      0.6367000      0.5269000
  1 1 1      13   -6   24 o    7.060000      0.2506000       6.748000 0.3931000       7.371000      0.3108000     -0.6231000      0.5011000
  1 1 1      13   -6   25 o    8.716000      0.2606000       8.145000 0.4012000       9.288000      0.3327000      -1.143000      0.5212000
  1 1 1      13   -6   26 o    6.184000      0.3000000       5.743000 0.4923000       6.624000      0.3430000     -0.8817000      0.6000000
  1 1 1      13   -6   27 f    4.849000      0.3700000       5.091000 0.5786000       4.607000      0.4611000      0.4834000      0.7399000
  1 1 1      13   -6   28 o    4.448000      0.4457000       3.807000 0.8141000       5.089000      0.3632000      -1.283000      0.8915000
  1 1 1      13   -6   29 o    2.163000      0.4900000       2.620000 0.7227000       1.707000      0.6618000      0.9128000      0.9799000
  1 1 1      13   -6   30 o    1.541000      0.6647000       1.541000 0.6647000                  ?              ?              ?              ?
  1 1 1      13   -6   31 o    7.200000      0.2459000       7.199000 0.4021000       7.201000      0.2831000     -0.1855000E-02  0.4917000
  1 1 1      13   -6   32 o    5.720000      0.3268000       5.531000 0.5012000       5.909000      0.4196000     -0.3781000      0.6536000
  1 1 1      13   -6   33 o    3.612000      0.4923000       4.075000 0.6241000       3.150000      0.7616000      0.9253000      0.9846000
  1 1 1      13   -5    0 o    8.444000      0.1910000       8.371000 0.2679000       8.517000      0.2723000     -0.1457000      0.3820000
  1 1 1      13   -5    1 o    14.58000      0.2275000       14.72000 0.3216000       14.43000      0.3220000      0.2950000      0.4551000
  1 1 1      13   -5    2 o    13.15000      0.2132000       13.31000 0.3009000       12.99000      0.3022000      0.3183000      0.4265000
  1 1 1      13   -5    3 o    11.57000      0.1961000       11.42000 0.2741000       11.72000      0.2806000     -0.2951000      0.3923000
  1 1 1      13   -5    4 o    9.162000      0.1785000       9.161000 0.2510000       9.164000      0.2539000     -0.2813000E-02  0.3571000
  1 1 1      13   -5    5 o    4.297000      0.2016000       4.517000 0.2767000       4.077000      0.2933000      0.4395000      0.4032000
  1 1 1      13   -5    6 o    6.344000      0.1618000       6.271000 0.2269000       6.417000      0.2308000     -0.1461000      0.3237000
  1 1 1      13   -5    7 o    10.36000      0.1747000       10.45000 0.2461000       10.28000      0.2479000      0.1721000      0.3493000
  1 1 1      13   -5    8 o    3.899000      0.3145000       3.607000 0.4352000       4.191000      0.4543000     -0.5839000      0.6291000
  1 1 1      13   -5    9 o    8.458000      0.2374000       8.357000 0.3188000       8.560000      0.3518000     -0.2026000      0.4747000
  1 1 1      13   -5   10 o    7.390000      0.1482000       7.633000 0.2049000       7.147000      0.2140000      0.4862000      0.2963000
  1 1 1      13   -5   11 o    4.759000      0.1865000       4.806000 0.2374000       4.713000      0.2878000      0.9235000E-01  0.3731000
  1 1 1      13   -5   12 f    4.529000      0.2202000       4.473000 0.2734000       4.585000      0.3453000     -0.1129000      0.4404000
  1 1 1      13   -5   13 o    2.927000      0.7932000       2.028000 0.8728000       3.826000       1.325000      -1.798000       1.586000
  1 1 1      13   -5   14 o    5.064000      0.7305000       5.758000 0.8047000       4.369000       1.219000       1.389000       1.461000
  1 1 1      13   -5   15 o    5.688000      0.8254000       6.149000 0.7110000       5.226000       1.490000      0.9232000       1.651000
  1 1 1      13   -5   16 o    10.81000      0.1884000       10.67000 0.2458000       10.95000      0.2857000     -0.2840000      0.3769000
  1 1 1      13   -5   17 o    4.270000      0.1705000       4.255000 0.2279000       4.285000      0.2536000     -0.3003000E-01  0.3409000
  1 1 1      13   -5   18 o    9.366000      0.1499000       9.266000 0.2088000       9.465000      0.2151000     -0.1990000      0.2998000
  1 1 1      13   -5   19 o    6.048000      0.1455000       6.097000 0.2171000       5.999000      0.1939000      0.9869000E-01  0.2911000
  1 1 1      13   -5   20 o    11.26000      0.1811000       11.22000 0.2649000       11.29000      0.2471000     -0.6201000E-01  0.3622000
  1 1 1      13   -5   21 o    3.742000      0.2616000       3.384000 0.4466000       4.100000      0.2726000     -0.7159000      0.5232000
  1 1 1      13   -5   22 o    7.481000      0.2064000       7.568000 0.3258000       7.394000      0.2534000      0.1744000      0.4128000
  1 1 1      13   -5   23 o    16.11000      0.3007000       16.54000 0.4788000       15.69000      0.3637000      0.8460000      0.6013000
  1 1 1      13   -5   24 o    6.276000      0.2468000       5.826000 0.3968000       6.725000      0.2935000     -0.8984000      0.4935000
  1 1 1      13   -5   25 o    6.667000      0.2555000       6.650000 0.4160000       6.683000      0.2968000     -0.3285000E-01  0.5111000
  1 1 1      13   -5   26 o    5.354000      0.2739000       5.394000 0.4338000       5.315000      0.3346000      0.7873000E-01  0.5479000
  1 1 1      13   -5   27 o    4.437000      0.3705000       4.463000 0.6328000       4.411000      0.3856000      0.5286000E-01  0.7410000
  1 1 1      13   -5   28 o    2.248000      0.4134000       2.802000 0.5775000       1.695000      0.5917000       1.107000      0.8268000
  1 1 1      13   -5   29 o    2.009000      0.5092000       1.437000 0.6822000       2.581000      0.7561000      -1.144000       1.018000
  1 1 1      13   -5   30 o    2.716000      0.8879000       2.716000 0.8879000                  ?              ?              ?              ?
  1 1 1      13   -5   31 o    6.565000      0.3339000       6.394000 0.5181000       6.737000      0.4215000     -0.3428000      0.6678000
  1 1 1      13   -5   32 o    1.627000      0.6490000                  ?       ?   1.627000      0.6490000                  ?              ?
  1 1 1      13   -5   33 o    2.038000      0.4801000       2.257000 0.6985000       1.818000      0.6590000      0.4388000      0.9603000
  1 1 1      13   -4    0 o    5.549000      0.2048000       5.395000 0.2905000       5.702000      0.2886000     -0.3065000      0.4095000
  1 1 1      13   -4    1 o    6.744000      0.1873000       6.733000 0.2584000       6.755000      0.2714000     -0.2243000E-01  0.3747000
  1 1 1      13   -4    2 o    12.89000      0.2959000       12.89000 0.2959000                  ?              ?              ?              ?
  1 1 1      13   -4    3 o    5.700000      0.1868000       5.749000 0.2681000       5.652000      0.2601000      0.9761000E-01  0.3735000
  1 1 1      13   -4    4 o    9.982000      0.2569000                  ?       ?   9.982000      0.2569000                  ?              ?
  1 1 1      13   -4    5 o    11.40000      0.1894000       11.32000 0.2663000       11.47000      0.2694000     -0.1507000      0.3788000
  1 1 1      13   -4    6 o    2.685000      0.4385000       2.368000 0.6033000       3.001000      0.6365000     -0.6333000      0.8770000
  1 1 1      13   -4    7 o    4.470000      0.2896000       4.456000 0.3569000       4.485000      0.4562000     -0.2900000E-01  0.5792000
  1 1 1      13   -4    8 o    3.163000      0.2153000       3.164000 0.3066000       3.161000      0.3024000      0.3392000E-02  0.4307000
  1 1 1      13   -4    9 o    4.541000      0.1646000       4.294000 0.2381000       4.788000      0.2273000     -0.4937000      0.3291000
  1 1 1      13   -4   10 o    1.425000      0.3803000       1.445000 0.5366000       1.406000      0.5390000      0.3870000E-01  0.7606000
  1 1 1      13   -4   11 o    5.733000      0.2158000       5.523000 0.2943000       5.944000      0.3158000     -0.4209000      0.4317000
  1 1 1      13   -4   12 o    4.565000      0.2885000       4.459000 0.3533000       4.671000      0.4563000     -0.2121000      0.5771000
  1 1 1      13   -4   13 o    5.650000      0.1898000       5.593000 0.2400000       5.708000      0.2940000     -0.1147000      0.3795000
  1 1 1      13   -4   14 o    6.010000      0.1886000       5.983000 0.2420000       6.036000      0.2895000     -0.5291000E-01  0.3773000
  1 1 1      13   -4   15 o    3.940000      0.2143000       3.634000 0.2827000       4.246000      0.3220000     -0.6127000      0.4285000
  1 1 1      13   -4   16 o    9.009000      0.1712000       8.808000 0.2166000       9.209000      0.2652000     -0.4003000      0.3424000
  1 1 1      13   -4   17 o    3.274000      0.1845000       3.404000 0.2286000       3.144000      0.2896000      0.2599000      0.3690000
  1 1 1      13   -4   18 o    8.164000      0.1345000       8.077000 0.1869000       8.251000      0.1934000     -0.1746000      0.2689000
  1 1 1      13   -4   19 o    3.822000      0.1573000       3.736000 0.2443000       3.908000      0.1983000     -0.1718000      0.3147000
  1 1 1      13   -4   20 o    12.57000      0.1882000       12.59000 0.2723000       12.55000      0.2600000      0.3825000E-01  0.3765000
  1 1 1      13   -4   21 o    9.029000      0.1806000       8.984000 0.2742000       9.074000      0.2349000     -0.9046000E-01  0.3611000
  1 1 1      13   -4   22 o    3.246000      0.3278000       2.777000 0.5744000       3.715000      0.3162000     -0.9384000      0.6557000
  1 1 1      13   -4   23 o    11.57000      0.2422000       11.66000 0.3757000       11.47000      0.3056000      0.1933000      0.4843000
  1 1 1      13   -4   24 o    8.846000      0.2309000       8.875000 0.3587000       8.818000      0.2907000      0.5695000E-01  0.4617000
  1 1 1      13   -4   25 o    2.492000      0.4750000       3.090000 0.7073000       1.895000      0.6342000       1.195000      0.9500000
  1 1 1      13   -4   26 o    4.075000      0.3295000       3.839000 0.5443000       4.311000      0.3714000     -0.4714000      0.6590000
  1 1 1      13   -4   27 o    1.296000      0.4044000       1.389000 0.6085000       1.203000      0.5329000      0.1859000      0.8088000
  1 1 1      13   -4   28 f    4.927000      0.2117000       5.189000 0.3079000       4.665000      0.2908000      0.5237000      0.4235000
  1 1 1      13   -4   29 o    3.790000      0.2496000       3.961000 0.3581000       3.620000      0.3478000      0.3410000      0.4992000
  1 1 1      13   -4   30 o    2.516000      0.4054000       2.940000 0.5226000       2.091000      0.6199000      0.8485000      0.8108000
  1 1 1      13   -4   31 o    5.794000      0.2034000       5.487000 0.3058000       6.100000      0.2681000     -0.6136000      0.4067000
  1 1 1      13   -4   32 o    3.060000      0.5162000       3.052000 0.7279000       3.067000      0.7322000     -0.1493000E-01   1.032000
  1 1 1      13   -4   33 o    1.931000      0.5462000       1.755000 0.7609000       2.108000      0.7838000     -0.3527000       1.092000
  1 1 1      13   -4   34 o    3.852000      0.3195000       4.211000 0.4121000       3.493000      0.4883000      0.7176000      0.6389000
  1 1 1      13   -3    0 o    15.10000      0.2327000       15.24000 0.3317000       14.96000      0.3265000      0.2810000      0.4654000
  1 1 1      13   -3    1 o    14.18000      0.2227000       14.02000 0.3115000       14.33000      0.3184000     -0.3095000      0.4454000
  1 1 1      13   -3    2 o    12.98000      0.2985000       12.98000 0.2985000                  ?              ?              ?              ?
  1 1 1      13   -3    3 o    6.328000      0.1831000       6.293000 0.2559000       6.363000      0.2621000     -0.6979000E-01  0.3663000
  1 1 1      13   -3    4 o    9.941000      0.3825000                  ?       ?   9.941000      0.3825000                  ?              ?
  1 1 1      13   -3    5 o    9.235000      0.2537000       9.343000 0.3464000       9.127000      0.3709000      0.2164000      0.5075000
  1 1 1      13   -3    6 o    14.07000      0.2127000       14.03000 0.2998000       14.12000      0.3018000     -0.9174000E-01  0.4254000
  1 1 1      13   -3    7 o    2.791000      0.2477000       2.992000 0.3321000       2.589000      0.3677000      0.4032000      0.4955000
  1 1 1      13   -3    8 o    2.623000      0.3314000       1.957000 0.5635000       3.289000      0.3487000      -1.332000      0.6627000
  1 1 1      13   -3    9 o    7.547000      0.1955000       8.026000 0.2877000       7.069000      0.2648000      0.9571000      0.3910000
  1 1 1      13   -3   10 o    3.319000      0.1826000       3.302000 0.2543000       3.336000      0.2621000     -0.3345000E-01  0.3651000
  1 1 1      13   -3   11 o    12.71000      0.1892000       12.74000 0.2646000       12.68000      0.2706000      0.6233000E-01  0.3785000
  1 1 1      13   -3   12 o    5.572000      0.1559000       5.606000 0.2021000       5.539000      0.2374000      0.6651000E-01  0.3118000
  1 1 1      13   -3   13 o    2.524000      0.3217000       2.249000 0.4248000       2.799000      0.4832000     -0.5498000      0.6434000
  1 1 1      13   -3   14 o    6.977000      0.1849000       6.913000 0.2377000       7.040000      0.2834000     -0.1266000      0.3699000
  1 1 1      13   -3   15 o    7.272000      0.1880000       6.955000 0.2378000       7.590000      0.2912000     -0.6349000      0.3760000
  1 1 1      13   -3   16 o    7.493000      0.1541000       7.134000 0.1931000       7.852000      0.2403000     -0.7185000      0.3082000
  1 1 1      13   -3   17 o    9.116000      0.1414000       9.298000 0.1992000       8.934000      0.2007000      0.3643000      0.2828000
  1 1 1      13   -3   18 o    9.556000      0.1436000       9.571000 0.2028000       9.542000      0.2034000      0.2892000E-01  0.2872000
  1 1 1      13   -3   19 o    7.238000      0.1272000       7.265000 0.1813000       7.210000      0.1785000      0.5460000E-01  0.2544000
  1 1 1      13   -3   20 f    9.275000      0.1527000       9.192000 0.2212000       9.358000      0.2105000     -0.1660000      0.3054000
  1 1 1      13   -3   21 o    9.336000      0.1730000       9.354000 0.2638000       9.319000      0.2239000      0.3465000E-01  0.3460000
  1 1 1      13   -3   22 o    7.560000      0.1956000       7.159000 0.3072000       7.961000      0.2421000     -0.8021000      0.3911000
  1 1 1      13   -3   23 o    10.61000      0.2291000       10.98000 0.3601000       10.24000      0.2832000      0.7373000      0.4582000
  1 1 1      13   -3   24 o    2.006000      0.4438000       2.041000 0.6526000       1.971000      0.6017000      0.6964000E-01  0.8876000
  1 1 1      13   -3   25 o    1.400000      0.4138000       1.308000 0.5918000       1.493000      0.5786000     -0.1855000      0.8276000
  1 1 1      13   -3   26 o    3.810000      0.2724000       4.049000 0.4146000       3.571000      0.3535000      0.4782000      0.5448000
  1 1 1      13   -3   27 o    3.106000      0.2863000       3.030000 0.4547000       3.181000      0.3481000     -0.1508000      0.5726000
  1 1 1      13   -3   28 o    7.957000      0.1635000       7.835000 0.2392000       8.079000      0.2230000     -0.2440000      0.3270000
  1 1 1      13   -3   29 o    5.896000      0.1735000       5.720000 0.2511000       6.072000      0.2396000     -0.3524000      0.3470000
  1 1 1      13   -3   30 o    2.429000      0.3526000       2.116000 0.5445000       2.743000      0.4480000     -0.6278000      0.7051000
  1 1 1      13   -3   31 o    3.067000      0.3368000       3.826000 0.3418000       2.308000      0.5804000       1.517000      0.6736000
  1 1 1      13   -3   32 o    7.058000      0.1906000       7.259000 0.2759000       6.858000      0.2630000      0.4010000      0.3812000
  1 1 1      13   -3   33 o    2.611000      0.5472000       3.249000 0.7966000       1.972000      0.7505000       1.277000       1.094000
  1 1 1      13   -3   34 o    2.659000      0.5251000       2.390000 0.7942000       2.927000      0.6872000     -0.5366000       1.050000
  1 1 1      13   -2    0 o    10.01000      0.1859000       10.21000 0.2697000       9.821000      0.2559000      0.3861000      0.3718000
  1 1 1      13   -2    1 o    15.38000      0.2333000       15.52000 0.3336000       15.24000      0.3261000      0.2739000      0.4665000
  1 1 1      13   -2    2 o    13.28000      0.2096000       13.57000 0.3036000       12.99000      0.2890000      0.5788000      0.4191000
  1 1 1      13   -2    3 o    8.994000      0.2453000       9.180000 0.3515000       8.809000      0.3423000      0.3704000      0.4907000
  1 1 1      13   -2    4 o    15.90000      0.4729000       15.90000 0.4729000                  ?              ?              ?              ?
  1 1 1      13   -2    5 o    6.284000      0.1677000       6.413000 0.2403000       6.155000      0.2341000      0.2576000      0.3355000
  1 1 1      13   -2    6 o    12.03000      0.1922000       12.20000 0.2742000       11.87000      0.2694000      0.3394000      0.3844000
  1 1 1      13   -2    7 o    12.46000      0.2662000       12.70000 0.3849000       12.22000      0.3678000      0.4770000      0.5324000
  1 1 1      13   -2    8 o    3.466000      0.1954000       3.258000 0.2836000       3.673000      0.2689000     -0.4145000      0.3908000
  1 1 1      13   -2    9 o    12.62000      0.1900000       12.62000 0.2672000       12.63000      0.2702000     -0.7454000E-02  0.3800000
  1 1 1      13   -2   10 o    3.572000      0.1701000       3.607000 0.2339000       3.537000      0.2470000      0.7017000E-01  0.3402000
  1 1 1      13   -2   11 o    8.078000      0.1414000       7.945000 0.1963000       8.211000      0.2037000     -0.2656000      0.2829000
  1 1 1      13   -2   12 o    11.56000      0.1735000       11.60000 0.2423000       11.52000      0.2483000      0.7818000E-01  0.3469000
  1 1 1      13   -2   13 o    3.822000      0.1827000       3.833000 0.2193000       3.810000      0.2923000      0.2306000E-01  0.3655000
  1 1 1      13   -2   14 o    1.463000      0.3732000       1.286000 0.4810000       1.641000      0.5708000     -0.3548000      0.7464000
  1 1 1      13   -2   15 o    4.639000      0.1956000       4.698000 0.2379000       4.581000      0.3105000      0.1169000      0.3912000
  1 1 1      13   -2   16 o    9.044000      0.1921000       9.064000 0.3031000       9.024000      0.2361000      0.3981000E-01  0.3842000
  1 1 1      13   -2   17 f    8.813000      0.1333000       8.994000 0.1896000       8.631000      0.1876000      0.3623000      0.2667000
  1 1 1      13   -2   18 o    5.005000      0.1114000       5.033000 0.1572000       4.976000      0.1578000      0.5616000E-01  0.2228000
  1 1 1      13   -2   19 o    10.36000      0.1526000       10.31000 0.2157000       10.41000      0.2158000     -0.9333000E-01  0.3051000
  1 1 1      13   -2   20 o    4.389000      0.1368000       4.322000 0.2076000       4.456000      0.1783000     -0.1344000      0.2737000
  1 1 1      13   -2   21 o    4.823000      0.1655000       4.723000 0.2690000       4.923000      0.1931000     -0.2002000      0.3311000
  1 1 1      13   -2   22 o    8.918000      0.1825000       9.084000 0.2843000       8.752000      0.2290000      0.3317000      0.3651000
  1 1 1      13   -2   23 o    5.266000      0.2138000       5.198000 0.3299000       5.334000      0.2721000     -0.1354000      0.4276000
  1 1 1      13   -2   24 o    4.882000      0.2399000       5.222000 0.3664000       4.543000      0.3097000      0.6788000      0.4798000
  1 1 1      13   -2   25 o    5.131000      0.2113000       5.282000 0.3325000       4.979000      0.2609000      0.3030000      0.4226000
  1 1 1      13   -2   26 o    5.556000      0.1645000       5.261000 0.2532000       5.851000      0.2102000     -0.5907000      0.3291000
  1 1 1      13   -2   27 o    4.153000      0.1656000       4.241000 0.2363000       4.065000      0.2320000      0.1764000      0.3311000
  1 1 1      13   -2   28 o    7.003000      0.1495000       6.764000 0.2141000       7.242000      0.2086000     -0.4778000      0.2989000
  1 1 1      13   -2   29 o    4.159000      0.1886000       4.401000 0.2465000       3.918000      0.2856000      0.4834000      0.3773000
  1 1 1      13   -2   30 o    2.516000      0.3116000       2.426000 0.4431000       2.606000      0.4383000     -0.1801000      0.6233000
  1 1 1      13   -2   31 o    1.298000      0.4053000       1.253000 0.5291000       1.344000      0.6142000     -0.9058000E-01  0.8107000
  1 1 1      13   -2   32 o    4.218000      0.2378000       4.206000 0.3247000       4.230000      0.3476000     -0.2438000E-01  0.4757000
  1 1 1      13   -2   33 o    3.649000      0.2892000       3.975000 0.3781000       3.323000      0.4377000      0.6517000      0.5784000
  1 1 1      13   -2   34 o    3.189000      0.4278000       3.108000 0.7486000       3.270000      0.4142000     -0.1620000      0.8556000
  1 1 1      13   -1    0 o    9.862000      0.1840000       9.729000 0.2633000       9.995000      0.2570000     -0.2656000      0.3679000
  1 1 1      13   -1    1 o    6.369000      0.1759000       6.184000 0.2583000       6.553000      0.2387000     -0.3682000      0.3517000
  1 1 1      13   -1    2 o    11.80000      0.2745000       11.72000 0.3900000       11.88000      0.3864000     -0.1527000      0.5490000
  1 1 1      13   -1    4 o    9.505000      0.1725000       9.233000 0.2443000       9.776000      0.2437000     -0.5425000      0.3450000
  1 1 1      13   -1    5 o    12.53000      0.2771000       12.13000 0.3873000       12.92000      0.3965000     -0.7821000      0.5542000
  1 1 1      13   -1    6 o    7.568000      0.2163000       7.727000 0.3157000       7.410000      0.2957000      0.3163000      0.4326000
  1 1 1      13   -1    7 o    17.63000      0.2503000       17.83000 0.3586000       17.43000      0.3493000      0.3956000      0.5006000
  1 1 1      13   -1    8 o    7.248000      0.1459000       7.269000 0.2110000       7.227000      0.2014000      0.4240000E-01  0.2917000
  1 1 1      13   -1    9 o    14.38000      0.2528000       14.34000 0.2946000       14.41000      0.4108000     -0.7380000E-01  0.5055000
  1 1 1      13   -1   10 o    1.614000      0.3047000       1.829000 0.4177000       1.400000      0.4439000      0.4284000      0.6095000
  1 1 1      13   -1   11 o    6.221000      0.1309000       6.135000 0.1841000       6.308000      0.1861000     -0.1731000      0.2618000
  1 1 1      13   -1   12 o    14.15000      0.2014000       13.98000 0.2799000       14.32000      0.2896000     -0.3397000      0.4027000
  1 1 1      13   -1   13 o    2.252000      0.2646000       2.634000 0.2522000       1.870000      0.4653000      0.7646000      0.5292000
  1 1 1      13   -1   14 o    2.040000      0.3365000       2.101000 0.3946000       1.978000      0.5453000      0.1224000      0.6731000
  1 1 1      13   -1   15 o    5.441000      0.3672000       4.976000 0.6786000       5.906000      0.2805000     -0.9300000      0.7343000
  1 1 1      13   -1   16 o    7.248000      0.1656000       7.482000 0.1770000       7.014000      0.2799000      0.4682000      0.3311000
  1 1 1      13   -1   17 o    10.66000      0.1525000       10.51000 0.2123000       10.82000      0.2190000     -0.3140000      0.3050000
  1 1 1      13   -1   18 o    4.739000      0.1078000       4.738000 0.1551000       4.740000      0.1497000     -0.1964000E-02  0.2156000
  1 1 1      13   -1   19 o    7.623000      0.1455000       7.388000 0.2338000       7.857000      0.1733000     -0.4688000      0.2911000
  1 1 1      13   -1   20 o    3.400000      0.1591000       3.657000 0.1798000       3.142000      0.2626000      0.5157000      0.3183000
  1 1 1      13   -1   21 o    6.552000      0.1294000       6.174000 0.1912000       6.929000      0.1742000     -0.7551000      0.2587000
  1 1 1      13   -1   22 o    6.810000      0.1626000       6.638000 0.2515000       6.982000      0.2061000     -0.3440000      0.3251000
  1 1 1      13   -1   23 o    8.304000      0.1959000       8.325000 0.2993000       8.284000      0.2527000      0.4074000E-01  0.3917000
  1 1 1      13   -1   24 o    7.094000      0.1809000       7.236000 0.2754000       6.953000      0.2347000      0.2826000      0.3619000
  1 1 1      13   -1   25 o    3.114000      0.2170000       3.171000 0.3321000       3.057000      0.2794000      0.1140000      0.4340000
  1 1 1      13   -1   26 o    2.367000      0.2290000       2.458000 0.3095000       2.276000      0.3376000      0.1824000      0.4580000
  1 1 1      13   -1   27 o    1.651000      0.2982000       2.010000 0.3685000       1.292000      0.4689000      0.7176000      0.5963000
  1 1 1      13   -1   28 o    3.178000      0.1933000       2.731000 0.2853000       3.625000      0.2608000     -0.8939000      0.3866000
  1 1 1      13   -1   29 o    4.740000      0.1660000       4.737000 0.2337000       4.742000      0.2359000     -0.5240000E-02  0.3321000
  1 1 1      13   -1   30 o    4.247000      0.1930000       4.012000 0.2714000       4.482000      0.2745000     -0.4704000      0.3860000
  1 1 1      13   -1   31 o    4.704000      0.2626000       4.704000 0.2626000                  ?              ?              ?              ?
  1 1 1      13   -1   32 o    3.188000      0.2943000       3.260000 0.3803000       3.117000      0.4493000      0.1433000      0.5886000
  1 1 1      13   -1   33 f    2.988000      0.4638000                  ?       ?   2.988000      0.4638000                  ?              ?
  1 1 1      13   -1   34 o    2.084000      0.4210000       1.972000 0.6060000       2.197000      0.5846000     -0.2250000      0.8420000
  1 1 1      13   -1   35 o    1.617000      0.4874000       1.564000 0.6910000       1.669000      0.6876000     -0.1055000      0.9748000
  1 1 1      13    0    0 o    9.373000      0.1744000       9.375000 0.2481000       9.371000      0.2451000      0.4427000E-02  0.3488000
  1 1 1      13    0    1 o    17.22000      0.3560000       17.09000 0.5016000       17.34000      0.5054000     -0.2496000      0.7121000
  1 1 1      13    0    2 o    4.346000      0.2674000       4.465000 0.3909000       4.227000      0.3649000      0.2382000      0.5348000
  1 1 1      13    0    3 o    9.793000      0.1704000       10.13000 0.2467000       9.455000      0.2351000      0.6763000      0.3408000
  1 1 1      13    0    5 o    3.488000      0.4023000                  ?       ?   3.488000      0.4023000                  ?              ?
  1 1 1      13    0    6 o    8.978000      0.1616000       8.890000 0.2326000       9.066000      0.2244000     -0.1766000      0.3232000
  1 1 1      13    0    7 o    1.541000      0.3303000       1.535000 0.4878000       1.548000      0.4454000     -0.1334000E-01  0.6606000
  1 1 1      13    0    8 o    5.593000      0.1429000       5.570000 0.2093000       5.617000      0.1946000     -0.4745000E-01  0.2858000
  1 1 1      13    0    9 o    1.652000      0.3124000       1.795000 0.4476000       1.509000      0.4361000      0.2854000      0.6249000
  1 1 1      13    0   10 o    7.325000      0.1366000       7.122000 0.1955000       7.528000      0.1909000     -0.4061000      0.2733000
  1 1 1      13    0   11 o    14.36000      0.2038000       14.52000 0.2913000       14.21000      0.2850000      0.3090000      0.4075000
  1 1 1      13    0   12 o    9.379000      0.1444000       9.674000 0.2102000       9.084000      0.1982000      0.5900000      0.2888000
  1 1 1      13    0   13 o    2.615000      0.1553000       2.680000 0.2147000       2.551000      0.2245000      0.1292000      0.3106000
  1 1 1      13    0   14 o    4.709000      0.1312000       4.823000 0.1697000       4.594000      0.2002000      0.2282000      0.2624000
  1 1 1      13    0   15 o    4.944000      0.4372000       5.635000 0.2160000       4.253000      0.8474000       1.382000      0.8744000
  1 1 1      13    0   16 o    6.063000      0.1310000       5.841000 0.1973000       6.284000      0.1722000     -0.4428000      0.2619000
  1 1 1      13    0   17 o    12.86000      0.2181000       13.05000 0.3577000       12.67000      0.2498000      0.3740000      0.4363000
  1 1 1      13    0   24 o    5.275000      0.1643000       5.001000 0.2668000       5.548000      0.1917000     -0.5473000      0.3286000
  1 1 1      13    0   25 o    13.07000      0.1842000       12.83000 0.2565000       13.31000      0.2643000     -0.4805000      0.3683000
  1 1 1      13    0   26 o    6.121000      0.1213000       5.937000 0.1739000       6.305000      0.1692000     -0.3681000      0.2426000
  1 1 1      13    0   27 o    3.007000      0.2618000       3.302000 0.2218000       2.712000      0.4743000      0.5902000      0.5236000
  1 1 1      13    0   28 o    4.482000      0.1907000       4.398000 0.2122000       4.566000      0.3170000     -0.1678000      0.3815000
  1 1 1      13    0   29 o    4.486000      0.1706000       4.241000 0.2402000       4.731000      0.2424000     -0.4905000      0.3413000
  1 1 1      13    0   30 o    1.818000      0.3607000       1.495000 0.5190000       2.141000      0.5011000     -0.6458000      0.7215000
  1 1 1      13    0   31 o    4.990000      0.1804000       5.081000 0.2542000       4.899000      0.2560000      0.1816000      0.3608000
  1 1 1      13    0   32 o    2.669000      0.3375000       2.556000 0.4772000       2.782000      0.4774000     -0.2255000      0.6750000
  1 1 1      13    0   33 o    4.114000      0.3353000                  ?       ?   4.114000      0.3353000                  ?              ?
  1 1 1      13    0   34 o    1.634000      0.4240000       1.743000 0.6155000       1.525000      0.5833000      0.2178000      0.8480000
  1 1 1      13    0   35 o    1.781000      0.3999000       1.326000 0.5538000       2.235000      0.5770000     -0.9088000      0.7997000
  1 1 1      13    1    0 o    8.895000      0.2464000       9.027000 0.3513000       8.763000      0.3454000      0.2640000      0.4927000
  1 1 1      13    1    1 o    7.543000      0.2368000       7.363000 0.3374000       7.722000      0.3323000     -0.3589000      0.4736000
  1 1 1      13    1    2 o    9.336000      0.1699000       9.317000 0.2386000       9.355000      0.2420000     -0.3796000E-01  0.3398000
  1 1 1      13    1    3 o    8.717000      0.2264000       8.717000 0.2264000                  ?              ?              ?              ?
  1 1 1      13    1    4 o    8.868000      0.2257000       8.858000 0.3151000       8.878000      0.3233000     -0.1944000E-01  0.4515000
  1 1 1      13    1    5 o    8.976000      0.2271000                  ?       ?   8.976000      0.2271000                  ?              ?
  1 1 1      13    1    6 o    14.57000      0.2136000       14.57000 0.3022000       14.57000      0.3019000     -0.2031000E-02  0.4272000
  1 1 1      13    1    7 o    7.988000      0.1879000       8.103000 0.3124000       7.873000      0.2088000      0.2305000      0.3758000
  1 1 1      13    1    8 o    13.86000      0.2031000       13.95000 0.2901000       13.77000      0.2844000      0.1787000      0.4062000
  1 1 1      13    1    9 o    2.849000      0.1991000       3.035000 0.2690000       2.662000      0.2936000      0.3725000      0.3982000
  1 1 1      13    1   10 o    5.596000      0.1344000       5.772000 0.1942000       5.420000      0.1860000      0.3520000      0.2689000
  1 1 1      13    1   11 o    7.214000      0.1311000       7.577000 0.1912000       6.851000      0.1793000      0.7255000      0.2621000
  1 1 1      13    1   12 o    12.12000      0.1746000       12.11000 0.2471000       12.14000      0.2468000     -0.3309000E-01  0.3492000
  1 1 1      13    1   13 o    7.719000      0.1244000       7.561000 0.1748000       7.877000      0.1771000     -0.3153000      0.2489000
  1 1 1      13    1   14 o    3.555000      0.1286000       3.635000 0.1965000       3.476000      0.1659000      0.1588000      0.2571000
  1 1 1      13    1   15 o    4.210000      0.2546000       4.825000 0.4485000       3.596000      0.2410000       1.229000      0.5091000
  1 1 1      13    1   26 o    3.409000      0.1478000       3.163000 0.1903000       3.656000      0.2263000     -0.4926000      0.2957000
  1 1 1      13    1   27 o    6.456000      0.1557000       6.574000 0.2300000       6.337000      0.2100000      0.2369000      0.3115000
  1 1 1      13    1   28 o    1.030000      0.3231000      0.8754000 0.3943000       1.185000      0.5120000     -0.3096000      0.6462000
  1 1 1      13    1   29 o    4.467000      0.2545000       4.303000 0.2333000       4.631000      0.4523000     -0.3275000      0.5089000
  1 1 1      13    1   30 o    4.025000      0.2255000       3.766000 0.2852000       4.284000      0.3493000     -0.5180000      0.4509000
  1 1 1      13    1   31 o    2.583000      0.3714000       2.051000 0.5260000       3.114000      0.5244000      -1.063000      0.7428000
  1 1 1      13    1   32 o    3.236000      0.3213000       3.230000 0.3697000       3.241000      0.5257000     -0.1154000E-01  0.6427000
  1 1 1      13    1   33 o    3.677000      0.3006000       4.367000 0.3202000       2.988000      0.5088000       1.380000      0.6012000
  1 1 1      13    1   34 o    1.424000      0.4071000       1.582000 0.5944000       1.266000      0.5565000      0.3159000      0.8143000
  1 1 1      13    1   35 o    2.958000      0.3529000       3.313000 0.4363000       2.603000      0.5548000      0.7095000      0.7058000
  1 1 1      13    2    0 o    20.07000      0.4039000       19.92000 0.5688000       20.21000      0.5735000     -0.2914000      0.8077000
  1 1 1      13    2    1 o    1.374000      0.3602000       1.499000 0.5197000       1.249000      0.4989000      0.2501000      0.7204000
  1 1 1      13    2    2 o    10.56000      0.1789000       10.28000 0.2490000       10.85000      0.2569000     -0.5718000      0.3578000
  1 1 1      13    2    3 o    1.482000      0.3677000       1.251000 0.5202000       1.714000      0.5199000     -0.4625000      0.7355000
  1 1 1      13    2    4 o    9.170000      0.1629000       8.998000 0.2285000       9.342000      0.2323000     -0.3437000      0.3259000
  1 1 1      13    2    5 f    3.951000      0.1648000       3.765000 0.2169000       4.136000      0.2482000     -0.3717000      0.3296000
  1 1 1      13    2    6 o    12.27000      0.1876000       12.22000 0.2646000       12.33000      0.2661000     -0.1169000      0.3753000
  1 1 1      13    2    7 o    8.887000      0.1531000       9.024000 0.2183000       8.751000      0.2145000      0.2727000      0.3061000
  1 1 1      13    2    8 o    13.48000      0.1969000       13.44000 0.2768000       13.52000      0.2800000     -0.8012000E-01  0.3937000
  1 1 1      13    2    9 o    6.419000      0.1597000       6.715000 0.2553000       6.124000      0.1918000      0.5909000      0.3193000
  1 1 1      13    2   10 o    5.312000      0.1283000       5.166000 0.1748000       5.457000      0.1878000     -0.2916000      0.2566000
  1 1 1      13    2   11 o    14.24000      0.2022000       14.39000 0.2900000       14.08000      0.2820000      0.3079000      0.4045000
  1 1 1      13    2   12 o    12.80000      0.1829000       12.75000 0.2588000       12.85000      0.2584000     -0.9898000E-01  0.3657000
  1 1 1      13    2   13 o    5.143000      0.1335000       5.155000 0.2192000       5.132000      0.1525000      0.2274000E-01  0.2671000
  1 1 1      13    2   14 o    6.306000      0.1245000       6.173000 0.1994000       6.438000      0.1491000     -0.2644000      0.2490000
  1 1 1      13    2   26 o    4.481000      0.1719000       4.725000 0.1637000       4.238000      0.3023000      0.4868000      0.3438000
  1 1 1      13    2   27 f    5.030000      0.1857000       4.789000 0.1902000       5.270000      0.3191000     -0.4816000      0.3715000
  1 1 1      13    2   28 o    4.160000      0.1822000       4.240000 0.2174000       4.079000      0.2926000      0.1606000      0.3645000
  1 1 1      13    2   29 o    4.156000      0.2028000       3.905000 0.2551000       4.407000      0.3153000     -0.5016000      0.4056000
  1 1 1      13    2   30 o    6.100000      0.1786000       5.698000 0.2331000       6.501000      0.2707000     -0.8024000      0.3572000
  1 1 1      13    2   31 o    1.480000      0.4148000       1.220000 0.5164000       1.739000      0.6493000     -0.5189000      0.8296000
  1 1 1      13    2   32 o    5.150000      0.2285000       5.253000 0.2622000       5.048000      0.3742000      0.2049000      0.4569000
  1 1 1      13    2   33 o    2.235000      0.4333000       2.177000 0.5726000       2.292000      0.6505000     -0.1152000      0.8666000
  1 1 1      13    2   34 o    1.454000      0.4160000       1.184000 0.5338000       1.724000      0.6383000     -0.5403000      0.8321000
  1 1 1      13    2   35 o    2.858000      0.4908000       3.364000 0.6310000       2.352000      0.7519000       1.013000      0.9816000
  1 1 1      13    3    0 f    5.660000      0.2511000       5.691000 0.3563000       5.629000      0.3540000      0.6258000E-01  0.5022000
  1 1 1      13    3    1 o    7.472000      0.1643000       7.515000 0.2328000       7.428000      0.2321000      0.8710000E-01  0.3287000
  1 1 1      13    3    2 o    12.71000      0.1971000       12.84000 0.2797000       12.58000      0.2777000      0.2560000      0.3941000
  1 1 1      13    3    3 o    6.169000      0.2210000       6.058000 0.3050000       6.281000      0.3199000     -0.2229000      0.4420000
  1 1 1      13    3    4 o    15.21000      0.2228000       15.22000 0.3152000       15.20000      0.3150000      0.1903000E-01  0.4456000
  1 1 1      13    3    5 o    8.548000      0.1569000       8.612000 0.2234000       8.483000      0.2203000      0.1286000      0.3138000
  1 1 1      13    3    6 o    11.68000      0.1810000       11.72000 0.2568000       11.65000      0.2553000      0.6991000E-01  0.3621000
  1 1 1      13    3    7 o    14.43000      0.2097000       14.65000 0.3004000       14.20000      0.2928000      0.4452000      0.4195000
  1 1 1      13    3    8 f    7.690000      0.1423000       7.520000 0.1983000       7.860000      0.2042000     -0.3394000      0.2846000
  1 1 1      13    3    9 o    2.121000      0.2454000       2.122000 0.3265000       2.119000      0.3664000      0.2728000E-02  0.4907000
  1 1 1      13    3   10 f    2.886000      0.1747000       2.653000 0.2528000       3.118000      0.2412000     -0.4649000      0.3494000
  1 1 1      13    3   11 o    13.29000      0.1901000       13.56000 0.2728000       13.02000      0.2649000      0.5393000      0.3802000
  1 1 1      13    3   12 o   0.8198000      0.2505000      0.7466000 0.3342000      0.8930000      0.3733000     -0.1464000      0.5010000
  1 1 1      13    3   13 o    10.52000      0.1839000       10.43000 0.2975000       10.61000      0.2162000     -0.1798000      0.3678000
  1 1 1      13    3   25 o    3.924000      0.1915000       3.988000 0.2079000       3.860000      0.3216000      0.1287000      0.3830000
  1 1 1      13    3   26 o    9.766000      0.1492000       9.744000 0.2066000       9.788000      0.2153000     -0.4413000E-01  0.2984000
  1 1 1      13    3   27 o    4.714000      0.1510000       4.827000 0.1907000       4.601000      0.2342000      0.2262000      0.3020000
  1 1 1      13    3   28 f    7.810000      0.1508000       8.013000 0.2037000       7.607000      0.2225000      0.4059000      0.3017000
  1 1 1      13    3   29 o    5.134000      0.1777000       5.019000 0.2270000       5.249000      0.2735000     -0.2300000      0.3554000
  1 1 1      13    3   30 o    7.641000      0.1691000       7.598000 0.2202000       7.684000      0.2566000     -0.8592000E-01  0.3381000
  1 1 1      13    3   31 o    2.628000      0.3755000       2.437000 0.4852000       2.819000      0.5732000     -0.3822000      0.7510000
  1 1 1      13    3   32 o    3.932000      0.3407000       3.932000 0.3407000                  ?              ?              ?              ?
  1 1 1      13    3   33 o    1.344000      0.4058000      0.9970000 0.4704000       1.692000      0.6614000     -0.6949000      0.8116000
  1 1 1      13    3   34 o    1.545000      0.4242000       1.117000 0.5138000       1.973000      0.6751000     -0.8551000      0.8484000
  1 1 1      13    3   35 o    3.144000      0.4907000       3.500000 0.6308000       2.788000      0.7517000      0.7120000      0.9814000
  1 1 1      13    4    0 o    11.30000      0.2680000       11.16000 0.3803000       11.44000      0.3778000     -0.2744000      0.5361000
  1 1 1      13    4    1 o    9.260000      0.1719000       9.406000 0.2429000       9.115000      0.2432000      0.2915000      0.3437000
  1 1 1      13    4    2 o    4.576000      0.2532000       4.578000 0.3465000       4.574000      0.3693000      0.3971000E-02  0.5064000
  1 1 1      13    4    3 o    9.161000      0.2328000       9.268000 0.3251000       9.053000      0.3334000      0.2148000      0.4656000
  1 1 1      13    4    4 o    9.994000      0.1706000       9.984000 0.2398000       10.00000      0.2426000     -0.2012000E-01  0.3411000
  1 1 1      13    4    5 o    16.81000      0.2407000       16.68000 0.3379000       16.95000      0.3429000     -0.2619000      0.4814000
  1 1 1      13    4    6 o    1.433000      0.3339000       1.119000 0.4650000       1.747000      0.4794000     -0.6277000      0.6679000
  1 1 1      13    4    7 o    9.859000      0.1620000       9.809000 0.2285000       9.910000      0.2296000     -0.1005000      0.3240000
  1 1 1      13    4    8 o    13.40000      0.1960000       13.38000 0.2764000       13.42000      0.2780000     -0.4508000E-01  0.3920000
  1 1 1      13    4    9 o    7.517000      0.1390000       7.365000 0.1948000       7.669000      0.1982000     -0.3043000      0.2780000
  1 1 1      13    4   10 o    7.597000      0.1357000       7.449000 0.1885000       7.746000      0.1952000     -0.2972000      0.2714000
  1 1 1      13    4   11 o    8.006000      0.1353000       8.041000 0.1914000       7.971000      0.1911000      0.7077000E-01  0.2705000
  1 1 1      13    4   12 o    5.979000      0.1195000       6.147000 0.1689000       5.810000      0.1689000      0.3368000      0.2389000
  1 1 1      13    4   13 o    9.970000      0.1788000       9.927000 0.2916000       10.01000      0.2069000     -0.8578000E-01  0.3576000
  1 1 1      13    4   14 o    12.42000      0.2122000       12.49000 0.3485000       12.35000      0.2424000      0.1433000      0.4245000
  1 1 1      13    4   24 o    8.853000      0.1745000       8.739000 0.2779000       8.968000      0.2111000     -0.2290000      0.3490000
  1 1 1      13    4   25 o    13.19000      0.1879000       13.04000 0.2608000       13.34000      0.2707000     -0.2919000      0.3759000
  1 1 1      13    4   26 o    12.59000      0.1826000       12.46000 0.2532000       12.73000      0.2632000     -0.2661000      0.3653000
  1 1 1      13    4   27 o    8.017000      0.1461000       8.275000 0.2003000       7.760000      0.2126000      0.5143000      0.2921000
  1 1 1      13    4   28 o    6.433000      0.1515000       6.704000 0.1983000       6.163000      0.2292000      0.5409000      0.3031000
  1 1 1      13    4   29 o    1.124000      0.3449000      0.9773000 0.4427000       1.270000      0.5289000     -0.2925000      0.6897000
  1 1 1      13    4   30 o    1.317000      0.3853000       1.289000 0.5257000       1.344000      0.5633000     -0.5445000E-01  0.7705000
  1 1 1      13    4   31 o    7.212000      0.1804000       7.476000 0.2392000       6.948000      0.2701000      0.5284000      0.3608000
  1 1 1      13    4   32 o    3.611000      0.3816000       3.611000 0.3816000                  ?              ?              ?              ?
  1 1 1      13    4   33 o    1.477000      0.4293000       1.206000 0.5368000       1.748000      0.6701000     -0.5425000      0.8586000
  1 1 1      13    4   34 o    2.333000      0.7996000                  ?       ?   2.333000      0.7996000                  ?              ?
  1 1 1      13    4   35 o    2.528000      0.5509000       2.386000 0.7627000       2.670000      0.7953000     -0.2838000       1.102000
  1 1 1      13    5    0 o    10.70000      0.2617000       10.99000 0.3788000       10.41000      0.3613000      0.5741000      0.5234000
  1 1 1      13    5    1 o    6.051000      0.1715000       6.162000 0.2393000       5.940000      0.2457000      0.2223000      0.3430000
  1 1 1      13    5    2 o    12.48000      0.2779000       12.79000 0.3968000       12.18000      0.3893000      0.6166000      0.5559000
  1 1 1      13    5    3 o    6.750000      0.2261000       6.992000 0.3104000       6.509000      0.3289000      0.4831000      0.4523000
  1 1 1      13    5    4 o    3.909000      0.2745000       3.909000 0.2745000                  ?              ?              ?              ?
  1 1 1      13    5    5 o    7.608000      0.1540000       7.794000 0.2162000       7.422000      0.2194000      0.3714000      0.3080000
  1 1 1      13    5    6 o    5.020000      0.2269000                  ?       ?   5.020000      0.2269000                  ?              ?
  1 1 1      13    5    7 o    2.594000      0.2452000       2.843000 0.3160000       2.344000      0.3749000      0.4996000      0.4904000
  1 1 1      13    5    8 o    17.93000      0.2511000       17.94000 0.3552000       17.92000      0.3549000      0.2300000E-01  0.5021000
  1 1 1      13    5    9 o    6.737000      0.1370000       6.830000 0.1923000       6.645000      0.1951000      0.1855000      0.2740000
  1 1 1      13    5   10 o    8.905000      0.1463000       8.973000 0.2063000       8.837000      0.2073000      0.1359000      0.2925000
  1 1 1      13    5   11 o    5.341000      0.1280000       5.389000 0.1791000       5.294000      0.1830000      0.9528000E-01  0.2561000
  1 1 1      13    5   12 o    8.646000      0.1373000       8.689000 0.1947000       8.604000      0.1938000      0.8514000E-01  0.2746000
  1 1 1      13    5   13 o    9.261000      0.1389000       9.240000 0.1966000       9.282000      0.1964000     -0.4206000E-01  0.2779000
  1 1 1      13    5   14 o    3.088000      0.1548000       2.990000 0.2755000       3.186000      0.1414000     -0.1959000      0.3097000
  1 1 1      13    5   15 o    3.656000      0.1738000       3.458000 0.2360000       3.855000      0.2553000     -0.3972000      0.3477000
  1 1 1      13    5   22 o    3.599000      0.4849000       3.530000 0.9361000       3.669000      0.2530000     -0.1391000      0.9697000
  1 1 1      13    5   23 o    3.009000      0.2874000       3.131000 0.3813000       2.888000      0.4300000      0.2423000      0.5747000
  1 1 1      13    5   24 o    7.683000      0.1642000       7.823000 0.2352000       7.544000      0.2294000      0.2791000      0.3285000
  1 1 1      13    5   25 o    9.891000      0.1597000       9.936000 0.2250000       9.847000      0.2268000      0.8912000E-01  0.3195000
  1 1 1      13    5   26 o    6.270000      0.1416000       5.962000 0.1918000       6.579000      0.2083000     -0.6165000      0.2832000
  1 1 1      13    5   27 o    8.382000      0.1516000       8.374000 0.2098000       8.391000      0.2190000     -0.1669000E-01  0.3033000
  1 1 1      13    5   28 o    5.099000      0.1641000       5.159000 0.2225000       5.040000      0.2413000      0.1193000      0.3283000
  1 1 1      13    5   29 o    6.106000      0.1672000       6.391000 0.2243000       5.820000      0.2479000      0.5706000      0.3344000
  1 1 1      13    5   30 o    6.800000      0.1729000       6.361000 0.2371000       7.239000      0.2518000     -0.8778000      0.3458000
  1 1 1      13    5   31 o    11.69000      0.1946000       11.77000 0.2698000       11.61000      0.2805000      0.1613000      0.3892000
  1 1 1      13    5   32 f    1.823000      0.4244000       2.131000 0.5775000       1.515000      0.6222000      0.6156000      0.8489000
  1 1 1      13    5   33 o    1.710000      0.4944000       1.629000 0.6609000       1.791000      0.7354000     -0.1620000      0.9887000
  1 1 1      13    5   34 o    1.703000      0.7319000                  ?       ?   1.703000      0.7319000                  ?              ?
  1 1 1      13    5   35 o    3.496000      0.3540000       3.551000 0.4804000       3.441000      0.5202000      0.1105000      0.7081000
  1 1 1      13    6    0 o    6.995000      0.2380000       7.269000 0.3381000       6.721000      0.3350000      0.5474000      0.4759000
  1 1 1      13    6    1 o    7.855000      0.1693000       7.709000 0.2416000       8.002000      0.2371000     -0.2934000      0.3385000
  1 1 1      13    6    2 o    15.01000      0.2238000       15.12000 0.3180000       14.89000      0.3149000      0.2320000      0.4475000
  1 1 1      13    6    3 o    8.333000      0.2323000       8.471000 0.3256000       8.195000      0.3315000      0.2763000      0.4646000
  1 1 1      13    6    4 o    9.966000      0.2425000       9.966000 0.2425000                  ?              ?              ?              ?
  1 1 1      13    6    5 o    12.75000      0.1957000       12.82000 0.2769000       12.68000      0.2768000      0.1392000      0.3915000
  1 1 1      13    6    6 o    4.838000      0.2382000                  ?       ?   4.838000      0.2382000                  ?              ?
  1 1 1      13    6    7 o    7.606000      0.1852000       7.861000 0.2141000       7.350000      0.3024000      0.5104000      0.3705000
  1 1 1      13    6    8 o    3.199000      0.1973000       3.119000 0.2818000       3.278000      0.2762000     -0.1592000      0.3946000
  1 1 1      13    6    9 o    3.349000      0.1808000       3.323000 0.2496000       3.376000      0.2617000     -0.5302000E-01  0.3616000
  1 1 1      13    6   10 o    5.058000      0.1404000       4.929000 0.1988000       5.186000      0.1984000     -0.2572000      0.2809000
  1 1 1      13    6   11 f    2.764000      0.1786000       2.671000 0.2617000       2.856000      0.2432000     -0.1849000      0.3573000
  1 1 1      13    6   12 o    13.51000      0.1915000       13.51000 0.2703000       13.51000      0.2714000     -0.2300000E-02  0.3830000
  1 1 1      13    6   13 o    5.130000      0.1098000       5.140000 0.1574000       5.120000      0.1530000      0.1991000E-01  0.2195000
  1 1 1      13    6   14 o    7.324000      0.1177000       7.392000 0.1644000       7.256000      0.1686000      0.1351000      0.2355000
  1 1 1      13    6   15 o    12.51000      0.2008000       12.74000 0.2578000       12.28000      0.3080000      0.4670000      0.4017000
  1 1 1      13    6   16 o    8.418000      0.1437000       8.303000 0.1916000       8.533000      0.2143000     -0.2298000      0.2874000
  1 1 1      13    6   17 o    16.16000      0.2716000       16.31000 0.4456000       16.01000      0.3107000      0.2949000      0.5432000
  1 1 1      13    6   18 o    5.102000      0.1204000       5.140000 0.1866000       5.065000      0.1521000      0.7484000E-01  0.2407000
  1 1 1      13    6   19 f    6.949000      0.1140000       7.055000 0.1627000       6.843000      0.1596000      0.2123000      0.2279000
  1 1 1      13    6   20 o    7.494000      0.1200000       7.695000 0.1741000       7.292000      0.1652000      0.4032000      0.2400000
  1 1 1      13    6   21 o    6.703000      0.1741000       6.577000 0.2684000       6.829000      0.2218000     -0.2523000      0.3482000
  1 1 1      13    6   22 o    11.17000      0.1977000       11.22000 0.3086000       11.12000      0.2474000      0.9829000E-01  0.3955000
  1 1 1      13    6   23 o    4.513000      0.2144000       4.776000 0.2893000       4.250000      0.3164000      0.5267000      0.4288000
  1 1 1      13    6   24 o    4.485000      0.2165000       4.429000 0.3037000       4.541000      0.3088000     -0.1123000      0.4331000
  1 1 1      13    6   25 o    7.795000      0.1663000       7.788000 0.2327000       7.802000      0.2377000     -0.1476000E-01  0.3327000
  1 1 1      13    6   26 o    3.382000      0.2349000       3.204000 0.3370000       3.559000      0.3273000     -0.3548000      0.4698000
  1 1 1      13    6   27 o    2.519000      0.3053000       2.893000 0.3401000       2.144000      0.5071000      0.7490000      0.6105000
  1 1 1      13    6   28 o    1.724000      0.3731000       2.028000 0.5046000       1.420000      0.5498000      0.6085000      0.7462000
  1 1 1      13    6   29 o    7.659000      0.1693000       8.057000 0.2313000       7.261000      0.2473000      0.7964000      0.3386000
  1 1 1      13    6   30 o    5.747000      0.1864000       5.695000 0.2482000       5.799000      0.2782000     -0.1036000      0.3728000
  1 1 1      13    6   31 o    4.251000      0.2542000       3.997000 0.3611000       4.506000      0.3580000     -0.5099000      0.5085000
  1 1 1      13    6   32 o    2.766000      0.4707000       2.976000 0.5792000       2.556000      0.7421000      0.4195000      0.9414000
  1 1 1      13    6   33 o    1.532000      0.4681000       1.634000 0.6710000       1.431000      0.6527000      0.2029000      0.9361000
  1 1 1      13    6   34 o    2.707000      0.4419000       3.006000 0.5726000       2.409000      0.6732000      0.5970000      0.8838000
  1 1 1      13    6   35 o    4.066000      0.3058000       4.233000 0.4003000       3.899000      0.4623000      0.3349000      0.6115000
  1 1 1      13    7    0 o    14.41000      0.3116000       14.36000 0.4414000       14.46000      0.4400000     -0.1041000      0.6233000
  1 1 1      13    7    1 o    9.993000      0.1809000       10.09000 0.2555000       9.896000      0.2562000      0.1934000      0.3618000
  1 1 1      13    7    2 o    16.24000      0.2384000       16.17000 0.3356000       16.30000      0.3385000     -0.1271000      0.4767000
  1 1 1      13    7    3 f    10.64000      0.2544000       10.75000 0.3584000       10.53000      0.3612000      0.2163000      0.5088000
  1 1 1      13    7    4 o    12.33000      0.2754000       12.42000 0.3874000       12.25000      0.3915000      0.1745000      0.5508000
  1 1 1      13    7    5 f    9.523000      0.1675000       9.424000 0.2353000       9.622000      0.2385000     -0.1982000      0.3350000
  1 1 1      13    7    6 o    3.319000      0.2233000       3.164000 0.3268000       3.474000      0.3045000     -0.3107000      0.4466000
  1 1 1      13    7    7 o    5.102000      0.1611000       5.047000 0.2266000       5.157000      0.2290000     -0.1104000      0.3222000
  1 1 1      13    7    8 f    13.86000      0.2031000       13.92000 0.2884000       13.81000      0.2860000      0.1100000      0.4061000
  1 1 1      13    7    9 o    16.46000      0.2321000       16.45000 0.3278000       16.47000      0.3286000     -0.1513000E-01  0.4641000
  1 1 1      13    7   10 o    7.803000      0.1407000       7.818000 0.1981000       7.788000      0.1999000      0.3016000E-01  0.2814000
  1 1 1      13    7   11 f    2.909000      0.1785000       2.690000 0.2664000       3.129000      0.2375000     -0.4393000      0.3569000
  1 1 1      13    7   12 o    10.73000      0.1588000       10.80000 0.2253000       10.66000      0.2240000      0.1438000      0.3176000
  1 1 1      13    7   13 o    4.330000      0.1140000       4.492000 0.1572000       4.168000      0.1651000      0.3240000      0.2280000
  1 1 1      13    7   14 o    6.003000      0.1203000       6.043000 0.1562000       5.963000      0.1830000      0.7988000E-01  0.2406000
  1 1 1      13    7   15 o    9.841000      0.1851000       9.973000 0.2279000       9.710000      0.2918000      0.2628000      0.3703000
  1 1 1      13    7   16 o    10.12000      0.1918000       9.881000 0.2296000       10.36000      0.3072000     -0.4828000      0.3835000
  1 1 1      13    7   17 o    9.745000      0.1453000       9.667000 0.2013000       9.823000      0.2097000     -0.1560000      0.2907000
  1 1 1      13    7   18 o    8.001000      0.1228000       8.029000 0.1725000       7.972000      0.1749000      0.5727000E-01  0.2457000
  1 1 1      13    7   19 o    1.003000      0.2655000       1.063000 0.3846000      0.9432000      0.3661000      0.1196000      0.5309000
  1 1 1      13    7   20 o    6.325000      0.1241000       6.247000 0.1825000       6.403000      0.1683000     -0.1561000      0.2483000
  1 1 1      13    7   21 o    10.93000      0.2392000       10.86000 0.4157000       11.00000      0.2369000     -0.1409000      0.4785000
  1 1 1      13    7   22 o    2.266000      0.3760000       1.882000 0.6141000       2.650000      0.4339000     -0.7676000      0.7519000
  1 1 1      13    7   23 o    2.726000      0.3697000       2.242000 0.6259000       3.209000      0.3937000     -0.9677000      0.7394000
  1 1 1      13    7   24 o    2.773000      0.3437000       2.290000 0.5355000       3.256000      0.4311000     -0.9657000      0.6874000
  1 1 1      13    7   25 o    6.360000      0.1903000       6.504000 0.2661000       6.216000      0.2721000      0.2882000      0.3806000
  1 1 1      13    7   26 o    8.269000      0.1694000       8.005000 0.2328000       8.533000      0.2462000     -0.5282000      0.3388000
  1 1 1      13    7   27 o    8.932000      0.1716000       8.961000 0.2406000       8.903000      0.2449000      0.5820000E-01  0.3433000
  1 1 1      13    7   28 o    3.066000      0.2818000       2.819000 0.3937000       3.314000      0.4035000     -0.4955000      0.5637000
  1 1 1      13    7   29 o    4.754000      0.2099000       4.747000 0.2862000       4.761000      0.3071000     -0.1372000E-01  0.4198000
  1 1 1      13    7   30 o    8.094000      0.1812000       8.074000 0.2466000       8.115000      0.2656000     -0.4084000E-01  0.3624000
  1 1 1      13    7   31 o    8.576000      0.2341000       8.556000 0.3210000       8.597000      0.3409000     -0.4063000E-01  0.4683000
  1 1 1      13    7   32 o    3.813000      0.2962000       3.944000 0.3804000       3.681000      0.4541000      0.2633000      0.5924000
  1 1 1      13    7   33 o    1.946000      0.4512000       2.326000 0.6274000       1.566000      0.6487000      0.7600000      0.9024000
  1 1 1      13    7   34 o    4.748000      0.4431000       5.062000 0.6138000       4.433000      0.6392000      0.6287000      0.8862000
  1 1 1      13    7   35 o    4.034000      0.5088000       5.038000 0.6082000       3.031000      0.8159000       2.007000       1.018000
  1 1 1      13    8    0 o    1.655000      0.4439000       1.945000 0.6673000       1.364000      0.5857000      0.5805000      0.8879000
  1 1 1      13    8    1 o    12.20000      0.2780000       12.51000 0.3996000       11.90000      0.3866000      0.6101000      0.5560000
  1 1 1      13    8    2 o    12.33000      0.1978000       12.26000 0.2788000       12.39000      0.2806000     -0.1304000      0.3955000
  1 1 1      13    8    3 o    7.348000      0.1681000       7.191000 0.2353000       7.505000      0.2402000     -0.3145000      0.3362000
  1 1 1      13    8    4 o    13.41000      0.2913000       13.15000 0.4048000       13.68000      0.4190000     -0.5326000      0.5826000
  1 1 1      13    8    5 o    10.78000      0.2560000       11.25000 0.3636000       10.31000      0.3604000      0.9371000      0.5120000
  1 1 1      13    8    6 o    2.414000      0.2997000       2.073000 0.4764000       2.755000      0.3636000     -0.6815000      0.5993000
  1 1 1      13    8    7 o    12.73000      0.1938000       12.85000 0.2764000       12.62000      0.2717000      0.2228000      0.3876000
  1 1 1      13    8    8 f    4.865000      0.1613000       4.794000 0.2370000       4.935000      0.2189000     -0.1413000      0.3226000
  1 1 1      13    8    9 o    7.875000      0.1450000       8.135000 0.2079000       7.614000      0.2022000      0.5214000      0.2900000
  1 1 1      13    8   10 o    2.246000      0.2431000       2.308000 0.3434000       2.184000      0.3442000      0.1240000      0.4862000
  1 1 1      13    8   11 o    7.577000      0.1352000       7.572000 0.1886000       7.582000      0.1939000     -0.1063000E-01  0.2705000
  1 1 1      13    8   12 o    5.009000      0.1217000       5.068000 0.1700000       4.951000      0.1741000      0.1171000      0.2433000
  1 1 1      13    8   13 o    7.170000      0.1231000       7.217000 0.1684000       7.123000      0.1797000      0.9460000E-01  0.2463000
  1 1 1      13    8   14 o    1.673000      0.3042000       1.758000 0.3369000       1.588000      0.5067000      0.1700000      0.6085000
  1 1 1      13    8   15 o    7.120000      0.1710000       7.067000 0.2129000       7.173000      0.2676000     -0.1066000      0.3420000
  1 1 1      13    8   16 o    8.622000      0.1721000       8.841000 0.2320000       8.403000      0.2542000      0.4380000      0.3442000
  1 1 1      13    8   17 o    7.564000      0.1680000       7.504000 0.2781000       7.624000      0.1886000     -0.1198000      0.3360000
  1 1 1      13    8   18 o    10.12000      0.1474000       10.01000 0.2060000       10.23000      0.2109000     -0.2130000      0.2948000
  1 1 1      13    8   19 o    13.95000      0.1937000       13.93000 0.2742000       13.97000      0.2738000     -0.3413000E-01  0.3875000
  1 1 1      13    8   20 o    9.476000      0.1499000       9.301000 0.2155000       9.651000      0.2083000     -0.3500000      0.2997000
  1 1 1      13    8   21 o    5.792000      0.1806000       6.003000 0.2797000       5.582000      0.2287000      0.4202000      0.3613000
  1 1 1      13    8   22 f    5.633000      0.2126000       6.064000 0.3181000       5.202000      0.2822000      0.8613000      0.4253000
  1 1 1      13    8   23 o    1.550000      0.4263000       1.413000 0.6022000       1.688000      0.6036000     -0.2751000      0.8527000
  1 1 1      13    8   24 o    5.948000      0.2425000       5.919000 0.3705000       5.977000      0.3131000     -0.5719000E-01  0.4851000
  1 1 1      13    8   25 o    7.714000      0.2159000       8.084000 0.3317000       7.345000      0.2763000      0.7394000      0.4317000
  1 1 1      13    8   26 o    12.05000      0.2054000       11.90000 0.2942000       12.21000      0.2868000     -0.3141000      0.4108000
  1 1 1      13    8   27 o    5.973000      0.1914000       5.636000 0.2789000       6.311000      0.2623000     -0.6748000      0.3828000
  1 1 1      13    8   28 o    4.229000      0.2514000       4.095000 0.3627000       4.362000      0.3483000     -0.2669000      0.5028000
  1 1 1      13    8   29 o    5.458000      0.2612000       5.288000 0.3531000       5.628000      0.3850000     -0.3395000      0.5224000
  1 1 1      13    8   30 o    7.942000      0.2365000       7.731000 0.3279000       8.152000      0.3409000     -0.4206000      0.4730000
  1 1 1      13    8   31 o    7.308000      0.1909000       7.026000 0.2653000       7.590000      0.2745000     -0.5636000      0.3817000
  1 1 1      13    8   32 f    1.703000      0.4508000       1.445000 0.5860000       1.962000      0.6853000     -0.5173000      0.9017000
  1 1 1      13    8   33 o    3.505000      0.7795000       3.505000 0.7795000                  ?              ?              ?              ?
  1 1 1      13    8   34 o    5.384000      0.4158000       5.949000 0.5117000       4.820000      0.6555000       1.129000      0.8315000
  1 1 1      13    8   35 o    1.797000      0.4613000       1.194000 0.5629000       2.401000      0.7310000      -1.207000      0.9226000
  1 1 1      13    9    0 o    17.63000      0.2585000       17.59000 0.3646000       17.67000      0.3665000     -0.7660000E-01  0.5170000
  1 1 1      13    9    1 o    15.18000      0.3233000       15.52000 0.4661000       14.85000      0.4482000      0.6646000      0.6467000
  1 1 1      13    9    2 o    5.867000      0.2436000       5.871000 0.3456000       5.863000      0.3434000      0.8395000E-02  0.4872000
  1 1 1      13    9    3 o    21.00000      0.2956000       20.79000 0.4142000       21.21000      0.4219000     -0.4140000      0.5912000
  1 1 1      13    9    4 o    11.07000      0.1841000       11.05000 0.2593000       11.10000      0.2615000     -0.4889000E-01  0.3682000
  1 1 1      13    9    5 o    4.056000      0.4007000       4.056000 0.4007000                  ?              ?              ?              ?
  1 1 1      13    9    6 o    6.721000      0.2283000       7.101000 0.3075000       6.342000      0.3374000      0.7595000      0.4565000
  1 1 1      13    9    7 o    7.922000      0.2189000                  ?       ?   7.922000      0.2189000                  ?              ?
  1 1 1      13    9    8 o    11.75000      0.1813000       11.75000 0.2570000       11.74000      0.2559000      0.1152000E-01  0.3627000
  1 1 1      13    9    9 o    9.711000      0.1907000       9.489000 0.2227000       9.933000      0.3096000     -0.4445000      0.3814000
  1 1 1      13    9   10 o    5.409000      0.1406000       5.431000 0.1925000       5.386000      0.2050000      0.4561000E-01  0.2812000
  1 1 1      13    9   11 o    5.365000      0.1293000       5.409000 0.1808000       5.320000      0.1847000      0.8929000E-01  0.2585000
  1 1 1      13    9   12 o    3.808000      0.1374000       3.731000 0.1871000       3.885000      0.2014000     -0.1544000      0.2749000
  1 1 1      13    9   13 o    10.81000      0.1624000       10.99000 0.2272000       10.63000      0.2322000      0.3682000      0.3249000
  1 1 1      13    9   14 f    3.141000      0.2193000       3.274000 0.2345000       3.007000      0.3706000      0.2668000      0.4385000
  1 1 1      13    9   15 o    6.124000      0.1686000       5.918000 0.2151000       6.329000      0.2597000     -0.4109000      0.3372000
  1 1 1      13    9   16 o    8.370000      0.1703000       8.420000 0.2246000       8.320000      0.2561000      0.1001000      0.3406000
  1 1 1      13    9   17 o    5.593000      0.1337000       5.742000 0.1813000       5.444000      0.1966000      0.2976000      0.2674000
  1 1 1      13    9   18 o    7.342000      0.1291000       7.341000 0.1791000       7.343000      0.1860000     -0.1987000E-02  0.2582000
  1 1 1      13    9   19 o    12.54000      0.1806000       12.43000 0.2547000       12.65000      0.2560000     -0.2249000      0.3612000
  1 1 1      13    9   20 o    4.097000      0.1741000       4.391000 0.2645000       3.803000      0.2263000      0.5878000      0.3481000
  1 1 1      13    9   21 o    10.82000      0.2117000       10.96000 0.3413000       10.68000      0.2507000      0.2797000      0.4234000
  1 1 1      13    9   22 o    8.270000      0.2075000       8.164000 0.3111000       8.377000      0.2746000     -0.2132000      0.4150000
  1 1 1      13    9   23 f    4.827000      0.2686000       4.705000 0.4124000       4.950000      0.3443000     -0.2452000      0.5372000
  1 1 1      13    9   24 o    1.340000      0.4189000       1.318000 0.5985000       1.361000      0.5861000     -0.4274000E-01  0.8377000
  1 1 1      13    9   25 o    6.425000      0.2496000       6.646000 0.3724000       6.205000      0.3325000      0.4419000      0.4993000
  1 1 1      13    9   26 o    3.172000      0.7065000       2.998000 1.121000       3.346000      0.8599000     -0.3475000       1.413000
  1 1 1      13    9   27 o    1.866000      0.5602000       1.446000 0.7003000       2.287000      0.8745000     -0.8416000       1.120000
  1 1 1      13    9   28 o    5.179000      0.2834000       5.275000 0.4818000       5.082000      0.2985000      0.1932000      0.5668000
  1 1 1      13    9   29 o    7.899000      0.1938000       7.807000 0.2711000       7.991000      0.2769000     -0.1844000      0.3875000
  1 1 1      13    9   30 o    5.347000      0.2236000       5.099000 0.2974000       5.595000      0.3341000     -0.4959000      0.4473000
  1 1 1      13    9   31 o    6.845000      0.3225000       7.548000 0.3988000       6.143000      0.5070000       1.405000      0.6450000
  1 1 1      13    9   32 o    5.700000      0.3758000       6.005000 0.4530000       5.394000      0.5998000      0.6109000      0.7517000
  1 1 1      13    9   33 o    1.815000      0.4784000       1.657000 0.6581000       1.974000      0.6944000     -0.3174000      0.9567000
  1 1 1      13    9   34 o    6.520000      0.2329000       6.343000 0.3250000       6.697000      0.3338000     -0.3538000      0.4659000
  1 1 1      13    9   35 o    1.407000      0.6291000                  ?       ?   1.407000      0.6291000                  ?              ?
  1 1 1      13   10    0 o    12.58000      0.2071000       12.53000 0.2918000       12.63000      0.2938000     -0.9502000E-01  0.4141000
  1 1 1      13   10    1 o    6.432000      0.1832000       6.464000 0.2617000       6.399000      0.2563000      0.6581000E-01  0.3663000
  1 1 1      13   10    2 o    16.55000      0.3426000       16.41000 0.4843000       16.69000      0.4846000     -0.2779000      0.6851000
  1 1 1      13   10    3 o    16.13000      0.3346000       15.93000 0.4706000       16.33000      0.4759000     -0.3996000      0.6693000
  1 1 1      13   10    4 o    12.80000      0.2003000       12.74000 0.2811000       12.85000      0.2853000     -0.1172000      0.4005000
  1 1 1      13   10    5 o    14.19000      0.3023000       14.19000 0.3023000                  ?              ?              ?              ?
  1 1 1      13   10    6 o    8.805000      0.1655000       8.613000 0.2324000       8.998000      0.2358000     -0.3850000      0.3310000
  1 1 1      13   10    7 o    7.204000      0.3357000                  ?       ?   7.204000      0.3357000                  ?              ?
  1 1 1      13   10    8 o    13.22000      0.2843000       13.39000 0.4011000       13.04000      0.4031000      0.3519000      0.5686000
  1 1 1      13   10    9 o    9.139000      0.2307000       9.439000 0.3199000       8.838000      0.3323000      0.6012000      0.4613000
  1 1 1      13   10   10 o    2.753000      0.1998000       2.671000 0.3002000       2.834000      0.2636000     -0.1631000      0.3995000
  1 1 1      13   10   11 o    3.948000      0.1426000       3.818000 0.2054000       4.078000      0.1980000     -0.2599000      0.2853000
  1 1 1      13   10   12 o    5.620000      0.1273000       5.833000 0.1705000       5.407000      0.1891000      0.4257000      0.2546000
  1 1 1      13   10   13 o    6.631000      0.1376000       6.665000 0.1780000       6.596000      0.2098000      0.6825000E-01  0.2752000
  1 1 1      13   10   14 o    8.984000      0.1711000       9.091000 0.2188000       8.878000      0.2630000      0.2135000      0.3421000
  1 1 1      13   10   15 o    3.813000      0.1962000       4.214000 0.2309000       3.412000      0.3172000      0.8019000      0.3923000
  1 1 1      13   10   16 o    6.302000      0.1597000       6.373000 0.2145000       6.231000      0.2366000      0.1415000      0.3194000
  1 1 1      13   10   17 o    2.531000      0.2185000       2.378000 0.3033000       2.684000      0.3147000     -0.3062000      0.4371000
  1 1 1      13   10   18 o    2.572000      0.2184000       2.120000 0.3385000       3.023000      0.2760000     -0.9034000      0.4368000
  1 1 1      13   10   19 o    11.66000      0.1743000       11.49000 0.2458000       11.83000      0.2473000     -0.3435000      0.3487000
  1 1 1      13   10   20 o    7.421000      0.1632000       7.677000 0.2467000       7.165000      0.2138000      0.5113000      0.3265000
  1 1 1      13   10   21 o    9.184000      0.2018000       9.561000 0.3195000       8.806000      0.2466000      0.7550000      0.4036000
  1 1 1      13   10   22 o    1.912000      0.3747000       2.709000 0.5565000       1.115000      0.5019000       1.594000      0.7494000
  1 1 1      13   10   23 o    6.050000      0.9464000       5.480000 1.677000       6.620000      0.8773000      -1.139000       1.893000
  1 1 1      13   10   24 o    6.500000      0.8630000       4.582000 1.573000       8.419000      0.7098000      -3.837000       1.726000
  1 1 1      13   10   25 o    2.741000      0.8090000       2.636000 1.144000       2.847000       1.144000     -0.2118000       1.618000
  1 1 1      13   10   26 o    3.777000      0.3843000       3.827000 0.5980000       3.727000      0.4827000      0.1001000      0.7685000
  1 1 1      13   10   27 o    8.603000      0.2371000       8.338000 0.3629000       8.867000      0.3052000     -0.5289000      0.4742000
  1 1 1      13   10   28 o    6.396000      0.3509000       6.199000 0.5598000       6.592000      0.4232000     -0.3936000      0.7018000
  1 1 1      13   10   29 o    3.089000      0.5870000       2.890000 0.9354000       3.288000      0.7094000     -0.3981000       1.174000
  1 1 1      13   10   30 o    1.595000      0.4974000       1.574000 0.6931000       1.615000      0.7137000     -0.4181000E-01  0.9948000
  1 1 1      13   10   31 o    8.890000      0.2039000       8.773000 0.2824000       9.007000      0.2942000     -0.2340000      0.4078000
  1 1 1      13   10   32 o    8.720000      0.2045000       8.776000 0.2765000       8.664000      0.3013000      0.1120000      0.4089000
  1 1 1      13   10   33 o    1.626000      0.4681000       1.837000 0.6845000       1.415000      0.6388000      0.4221000      0.9363000
  1 1 1      13   10   34 o    3.989000      0.3690000       4.074000 0.4920000       3.903000      0.5502000      0.1705000      0.7381000
  1 1 1      13   10   35 o    2.120000      0.7570000                  ?       ?   2.120000      0.7570000                  ?              ?
  1 1 1      13   11    0 o    10.21000      0.1900000       10.41000 0.2699000       10.00000      0.2675000      0.4088000      0.3800000
  1 1 1      13   11    1 o    15.36000      0.2328000       15.22000 0.3269000       15.50000      0.3314000     -0.2807000      0.4655000
  1 1 1      13   11    2 o    6.276000      0.1820000       6.180000 0.2618000       6.372000      0.2528000     -0.1916000      0.3640000
  1 1 1      13   11    3 o    9.649000      0.1782000       9.825000 0.2539000       9.474000      0.2501000      0.3518000      0.3564000
  1 1 1      13   11    4 o    13.85000      0.2964000       13.73000 0.4199000       13.96000      0.4185000     -0.2239000      0.5928000
  1 1 1      13   11    6 o    2.359000      0.2900000       2.139000 0.4377000       2.578000      0.3805000     -0.4389000      0.5799000
  1 1 1      13   11    7 o    2.423000      0.3771000       2.343000 0.3432000       2.504000      0.6717000     -0.1613000      0.7543000
  1 1 1      13   11    8 o    6.691000      0.1510000       6.452000 0.2128000       6.930000      0.2142000     -0.4779000      0.3020000
  1 1 1      13   11    9 o    5.428000      0.1441000       5.550000 0.2044000       5.306000      0.2033000      0.2437000      0.2883000
  1 1 1      13   11   10 f    7.076000      0.2099000       6.769000 0.2801000       7.383000      0.3127000     -0.6134000      0.4198000
  1 1 1      13   11   11 o    6.924000      0.2063000       7.044000 0.2757000       6.803000      0.3070000      0.2418000      0.4126000
  1 1 1      13   11   12 o    7.256000      0.2005000       7.191000 0.2670000       7.321000      0.2992000     -0.1297000      0.4010000
  1 1 1      13   11   13 f    6.996000      0.1886000       6.716000 0.2534000       7.276000      0.2794000     -0.5600000      0.3772000
  1 1 1      13   11   14 o    7.871000      0.1903000       7.818000 0.2607000       7.924000      0.2772000     -0.1055000      0.3805000
  1 1 1      13   11   15 o    2.922000      0.2297000       3.072000 0.2770000       2.772000      0.3665000      0.3005000      0.4594000
  1 1 1      13   11   16 o    5.428000      0.1687000       5.317000 0.2332000       5.539000      0.2440000     -0.2215000      0.3375000
  1 1 1      13   11   17 f    5.700000      0.1656000       5.590000 0.2315000       5.810000      0.2369000     -0.2200000      0.3312000
  1 1 1      13   11   18 o    6.894000      0.1974000       6.705000 0.2802000       7.083000      0.2780000     -0.3772000      0.3947000
  1 1 1      13   11   19 o    5.695000      0.2190000       5.775000 0.3381000       5.615000      0.2784000      0.1601000      0.4380000
  1 1 1      13   11   20 o    3.998000      0.5852000       5.321000 0.9035000       2.675000      0.7440000       2.646000       1.170000
  1 1 1      13   11   21 o    7.619000      0.1911000       7.495000 0.2981000       7.742000      0.2393000     -0.2472000      0.3822000
  1 1 1      13   11   22 o    3.940000      0.2934000       4.262000 0.4117000       3.618000      0.4180000      0.6441000      0.5867000
  1 1 1      13   11   23 o    3.357000      0.3667000       3.319000 0.5957000       3.396000      0.4278000     -0.7727000E-01  0.7334000
  1 1 1      13   11   24 o    14.88000      0.3175000       14.84000 0.4540000       14.92000      0.4440000     -0.7423000E-01  0.6350000
  1 1 1      13   11   25 o    4.149000      0.3137000       4.174000 0.4599000       4.125000      0.4268000      0.4935000E-01  0.6274000
  1 1 1      13   11   26 o    3.582000      0.4647000       3.732000 0.7371000       3.432000      0.5661000      0.3004000      0.9294000
  1 1 1      13   11   27 o    4.160000      0.4572000       3.880000 0.7599000       4.440000      0.5085000     -0.5596000      0.9143000
  1 1 1      13   11   28 o    5.846000      0.2770000       5.775000 0.4293000       5.917000      0.3502000     -0.1422000      0.5540000
  1 1 1      13   11   29 o    3.832000      0.4037000       3.686000 0.6461000       3.978000      0.4842000     -0.2918000      0.8074000
  1 1 1      13   11   30 o    4.747000      0.3374000       5.234000 0.4910000       4.259000      0.4628000      0.9743000      0.6747000
  1 1 1      13   11   31 o    6.541000      0.2601000       6.459000 0.3976000       6.623000      0.3355000     -0.1643000      0.5202000
  1 1 1      13   11   32 f    3.590000      0.4079000       3.863000 0.5147000       3.317000      0.6331000      0.5465000      0.8159000
  1 1 1      13   11   33 o    1.993000      0.5156000       1.765000 0.6973000       2.220000      0.7597000     -0.4554000       1.031000
  1 1 1      13   11   34 o    1.706000      0.4954000       1.939000 0.7273000       1.473000      0.6728000      0.4664000      0.9908000
  1 1 1      13   11   35 o    5.587000      0.2952000       5.200000 0.4336000       5.974000      0.4008000     -0.7743000      0.5905000
  1 1 1      13   12    0 o    5.119000      0.2115000       5.070000 0.2974000       5.168000      0.3007000     -0.9813000E-01  0.4229000
  1 1 1      13   12    1 o    9.425000      0.1849000       9.346000 0.2597000       9.504000      0.2631000     -0.1582000      0.3697000
  1 1 1      13   12    2 o    7.773000      0.1769000       7.640000 0.2554000       7.906000      0.2450000     -0.2662000      0.3539000
  1 1 1      13   12    3 o    10.28000      0.1823000       10.26000 0.2587000       10.30000      0.2571000     -0.3960000E-01  0.3647000
  1 1 1      13   12    4 f    15.50000      0.2301000       15.50000 0.3244000       15.50000      0.3264000      0.1542000E-02  0.4602000
  1 1 1      13   12    5 o    4.170000      0.2006000       4.111000 0.2894000       4.229000      0.2780000     -0.1181000      0.4013000
  1 1 1      13   12    6 f    3.901000      0.2853000       3.510000 0.4560000       4.291000      0.3431000     -0.7806000      0.5707000
  1 1 1      13   12    7 o    12.96000      0.2742000       13.15000 0.3943000       12.77000      0.3811000      0.3776000      0.5484000
  1 1 1      13   12    8 o    13.45000      0.2776000       13.17000 0.3895000       13.73000      0.3958000     -0.5610000      0.5553000
  1 1 1      13   12    9 o    10.42000      0.2257000       10.44000 0.3239000       10.40000      0.3145000      0.4288000E-01  0.4514000
  1 1 1      13   12   10 o    10.18000      0.1612000       10.36000 0.2278000       10.01000      0.2282000      0.3491000      0.3224000
  1 1 1      13   12   11 o    7.558000      0.1405000       7.571000 0.1942000       7.544000      0.2032000      0.2703000E-01  0.2811000
  1 1 1      13   12   12 o    2.589000      0.2432000       2.388000 0.3138000       2.790000      0.3717000     -0.4014000      0.4864000
  1 1 1      13   12   13 o    2.778000      0.2830000       3.125000 0.2884000       2.431000      0.4871000      0.6938000      0.5661000
  1 1 1      13   12   14 o    8.454000      0.1848000       8.302000 0.2325000       8.607000      0.2873000     -0.3051000      0.3696000
  1 1 1      13   12   15 o    2.529000      0.2599000       2.472000 0.3386000       2.586000      0.3945000     -0.1141000      0.5199000
  1 1 1      13   12   16 o    2.692000      0.2485000       2.582000 0.3454000       2.803000      0.3574000     -0.2206000      0.4971000
  1 1 1      13   12   17 o    1.982000      0.3267000       1.657000 0.4988000       2.307000      0.4220000     -0.6497000      0.6534000
  1 1 1      13   12   18 o    1.232000      0.3726000       1.147000 0.5065000       1.317000      0.5466000     -0.1701000      0.7452000
  1 1 1      13   12   19 o    5.625000      0.1817000       5.586000 0.2677000       5.664000      0.2457000     -0.7788000E-01  0.3633000
  1 1 1      13   12   20 o    7.901000      0.1905000       8.175000 0.2858000       7.626000      0.2518000      0.5491000      0.3809000
  1 1 1      13   12   21 o    5.172000      0.2312000       5.362000 0.3400000       4.982000      0.3133000      0.3802000      0.4624000
  1 1 1      13   12   22 o    8.822000      0.2340000       8.828000 0.3375000       8.816000      0.3243000      0.1198000E-01  0.4680000
  1 1 1      13   12   23 o    4.862000      0.2904000       4.373000 0.4593000       5.352000      0.3555000     -0.9794000      0.5809000
  1 1 1      13   12   24 o    3.253000      0.4397000       2.694000 0.7255000       3.812000      0.4968000      -1.118000      0.8793000
  1 1 1      13   12   25 o    9.454000      0.2602000       9.616000 0.3942000       9.291000      0.3396000      0.3250000      0.5204000
  1 1 1      13   12   26 o    2.198000      0.5202000       2.620000 0.7738000       1.777000      0.6955000      0.8429000       1.040000
  1 1 1      13   12   27 o    3.464000      0.4828000       3.222000 0.7849000       3.706000      0.5625000     -0.4841000      0.9656000
  1 1 1      13   12   28 o    3.152000      0.4766000       3.880000 0.6289000       2.424000      0.7162000       1.456000      0.9531000
  1 1 1      13   12   29 o    7.257000      0.2699000       6.830000 0.4303000       7.685000      0.3259000     -0.8550000      0.5398000
  1 1 1      13   12   30 o    4.807000      0.3328000       4.910000 0.5065000       4.704000      0.4318000      0.2057000      0.6656000
  1 1 1      13   12   31 o    5.224000      0.3261000       5.378000 0.4834000       5.071000      0.4377000      0.3064000      0.6522000
  1 1 1      13   12   32 o    2.741000      0.5352000       3.007000 0.7796000       2.476000      0.7335000      0.5306000       1.070000
  1 1 1      13   12   33 o    4.032000      0.4150000       4.355000 0.5782000       3.709000      0.5955000      0.6458000      0.8300000
  1 1 1      13   12   34 o    2.600000      0.5187000       3.156000 0.6736000       2.044000      0.7890000       1.112000       1.037000
  1 1 1      13   12   35 o    2.899000      0.5104000       3.467000 0.6465000       2.331000      0.7899000       1.136000       1.021000
  1 1 1      13   13    0 o    14.71000      0.2284000       14.33000 0.3161000       15.08000      0.3296000     -0.7465000      0.4567000
  1 1 1      13   13    1 o    5.240000      0.2027000       5.175000 0.3006000       5.305000      0.2721000     -0.1305000      0.4055000
  1 1 1      13   13    2 o    10.63000      0.1884000       10.71000 0.2664000       10.55000      0.2664000      0.1613000      0.3767000
  1 1 1      13   13    3 o    16.95000      0.2475000       17.23000 0.3541000       16.68000      0.3460000      0.5518000      0.4951000
  1 1 1      13   13    4 o    9.898000      0.1792000       9.956000 0.2520000       9.840000      0.2548000      0.1158000      0.3584000
  1 1 1      13   13    5 o    5.727000      0.1723000       5.806000 0.2388000       5.648000      0.2483000      0.1584000      0.3445000
  1 1 1      13   13    6 o    9.361000      0.1694000       9.428000 0.2400000       9.294000      0.2391000      0.1347000      0.3388000
  1 1 1      13   13    7 o    11.81000      0.1855000       11.87000 0.2624000       11.75000      0.2622000      0.1219000      0.3710000
  1 1 1      13   13    8 o    16.38000      0.2347000       16.13000 0.3275000       16.63000      0.3362000     -0.5006000      0.4694000
  1 1 1      13   13    9 o    7.527000      0.1457000       7.642000 0.2062000       7.412000      0.2058000      0.2305000      0.2913000
  1 1 1      13   13   10 o    1.429000      0.3500000       1.373000 0.4611000       1.485000      0.5266000     -0.1121000      0.6999000
  1 1 1      13   13   11 o    2.171000      0.3761000       2.177000 0.4861000       2.165000      0.5741000      0.1189000E-01  0.7522000
  1 1 1      13   13   12 o    1.782000      0.4487000       1.808000 0.5976000       1.755000      0.6695000      0.5287000E-01  0.8974000
  1 1 1      13   13   13 f    4.845000      0.6295000       4.976000 0.5325000       4.715000       1.141000      0.2603000       1.259000
  1 1 1      13   13   14 o    4.848000      0.7678000       5.424000 0.7766000       4.271000       1.325000       1.153000       1.536000
  1 1 1      13   13   15 o    3.406000      0.7340000       4.387000 1.081000       2.425000      0.9932000       1.962000       1.468000
  1 1 1      13   13   16 o    7.462000      0.7493000       8.379000 0.6263000       6.545000       1.361000       1.834000       1.499000
  1 1 1      13   13   18 o    4.157000      0.5575000       4.867000 0.5284000       3.448000      0.9818000       1.420000       1.115000
  1 1 1      13   13   19 o    8.624000      0.2530000       8.533000 0.3399000       8.714000      0.3747000     -0.1812000      0.5059000
  1 1 1      13   13   20 o    3.623000      0.2966000       3.545000 0.4442000       3.701000      0.3932000     -0.1560000      0.5932000
  1 1 1      13   13   21 o    7.936000      0.2132000       7.999000 0.3211000       7.873000      0.2805000      0.1269000      0.4264000
  1 1 1      13   13   22 o    10.24000      0.2296000       10.03000 0.3364000       10.44000      0.3127000     -0.4083000      0.4593000
  1 1 1      13   13   23 o    5.100000      0.2741000       4.899000 0.4232000       5.301000      0.3484000     -0.4018000      0.5482000
  1 1 1      13   13   24 o    3.494000      0.3987000       3.528000 0.5971000       3.459000      0.5286000      0.6891000E-01  0.7974000
  1 1 1      13   13   25 o    4.898000      0.3484000       4.283000 0.5753000       5.513000      0.3932000      -1.231000      0.6968000
  1 1 1      13   13   26 f    2.739000      0.5034000       2.163000 0.7876000       3.315000      0.6272000      -1.151000       1.007000
  1 1 1      13   13   27 o    6.109000      0.3027000       5.932000 0.4672000       6.286000      0.3851000     -0.3538000      0.6055000
  1 1 1      13   13   28 o    7.499000      0.3058000       6.822000 0.5127000       8.176000      0.3334000      -1.354000      0.6116000
  1 1 1      13   13   29 o    6.228000      0.3191000       5.706000 0.5162000       6.750000      0.3752000      -1.044000      0.6382000
  1 1 1      13   13   30 o    8.254000      0.3259000       8.449000 0.5518000       8.060000      0.3468000      0.3891000      0.6517000
  1 1 1      13   13   31 o    2.519000      0.5464000       2.447000 0.8140000       2.591000      0.7290000     -0.1443000       1.093000
  1 1 1      13   13   32 o    6.684000      0.2792000       6.198000 0.4369000       7.170000      0.3477000     -0.9718000      0.5584000
  1 1 1      13   13   33 o    3.179000      0.5062000       2.818000 0.8108000       3.540000      0.6063000     -0.7210000       1.012000
  1 1 1      13   13   34 o    3.196000      0.7344000       3.196000 0.7344000                  ?              ?              ?              ?
  1 1 1      13   13   35 o    1.964000      0.8373000                  ?       ?   1.964000      0.8373000                  ?              ?
  1 1 1      13   14    0 o    9.785000      0.1894000       9.918000 0.2656000       9.652000      0.2702000      0.2660000      0.3788000
  1 1 1      13   14    1 o    1.968000      0.4031000       2.204000 0.5421000       1.733000      0.5967000      0.4714000      0.8062000
  1 1 1      13   14    2 o    8.880000      0.1806000       8.781000 0.2588000       8.978000      0.2520000     -0.1967000      0.3612000
  1 1 1      13   14    3 o    9.170000      0.1775000       9.178000 0.2501000       9.161000      0.2520000      0.1754000E-01  0.3550000
  1 1 1      13   14    4 o    9.885000      0.1776000       9.947000 0.2500000       9.824000      0.2525000      0.1230000      0.3553000
  1 1 1      13   14    5 o    7.087000      0.1651000       6.915000 0.2297000       7.258000      0.2373000     -0.3425000      0.3302000
  1 1 1      13   14    6 o    5.422000      0.2343000       5.422000 0.2343000                  ?              ?              ?              ?
  1 1 1      13   14    7 o    2.024000      0.3125000       2.587000 0.3772000       1.460000      0.4984000       1.126000      0.6250000
  1 1 1      13   14    8 o    7.087000      0.2147000                  ?       ?   7.087000      0.2147000                  ?              ?
  1 1 1      13   14    9 o    4.047000      0.1747000       4.066000 0.2379000       4.028000      0.2558000      0.3751000E-01  0.3493000
  1 1 1      13   14   10 o    6.218000      0.1449000       6.363000 0.1972000       6.073000      0.2123000      0.2895000      0.2898000
  1 1 1      13   14   11 o    6.376000      0.1536000       6.471000 0.2020000       6.281000      0.2314000      0.1900000      0.3072000
  1 1 1      13   14   12 o    2.051000      0.3445000       1.950000 0.4396000       2.153000      0.5305000     -0.2027000      0.6890000
  1 1 1      13   14   13 o    6.057000      0.1809000       6.270000 0.2313000       5.845000      0.2781000      0.4247000      0.3617000
  1 1 1      13   14   14 o    3.193000      0.2496000       2.946000 0.3401000       3.440000      0.3655000     -0.4940000      0.4993000
  1 1 1      13   14   15 o    4.878000      0.1965000       4.912000 0.2738000       4.845000      0.2820000      0.6760000E-01  0.3931000
  1 1 1      13   14   16 o    6.656000      0.7856000       8.168000 0.2693000       5.144000       1.548000       3.024000       1.571000
  1 1 1      13   14   17 o    4.998000      0.2373000       4.703000 0.3435000       5.294000      0.3276000     -0.5903000      0.4747000
  1 1 1      13   14   18 o    6.496000      0.2181000       6.576000 0.3153000       6.417000      0.3015000      0.1590000      0.4363000
  1 1 1      13   14   19 o    3.351000      0.3859000       3.416000 0.5411000       3.286000      0.5503000      0.1304000      0.7718000
  1 1 1      13   14   20 o    8.593000      0.2221000       8.577000 0.3398000       8.609000      0.2863000     -0.3117000E-01  0.4443000
  1 1 1      13   14   21 o    5.860000      0.2483000       5.998000 0.3629000       5.722000      0.3391000      0.2760000      0.4967000
  1 1 1      13   14   22 o    8.437000      0.2306000       8.472000 0.3450000       8.402000      0.3061000      0.6966000E-01  0.4612000
  1 1 1      13   14   23 o    5.819000      0.2581000       6.076000 0.3704000       5.562000      0.3597000      0.5146000      0.5163000
  1 1 1      13   14   24 o    7.403000      0.2625000       7.634000 0.3986000       7.173000      0.3416000      0.4605000      0.5250000
  1 1 1      13   14   25 o    2.844000      0.4711000       3.596000 0.5937000       2.093000      0.7316000       1.503000      0.9422000
  1 1 1      13   14   26 f    4.115000      0.3837000       3.931000 0.5962000       4.299000      0.4833000     -0.3679000      0.7675000
  1 1 1      13   14   27 o    4.702000      0.3877000       5.812000 0.4796000       3.591000      0.6094000       2.221000      0.7754000
  1 1 1      13   14   28 o    2.012000      0.5574000       2.120000 0.8350000       1.904000      0.7386000      0.2154000       1.115000
  1 1 1      13   14   29 o    3.667000      0.5197000       3.091000 0.8842000       4.243000      0.5466000      -1.151000       1.039000
  1 1 1      13   14   30 o    6.480000      0.3289000       6.611000 0.5111000       6.349000      0.4142000      0.2627000      0.6579000
  1 1 1      13   14   31 o    1.586000      0.5078000       1.813000 0.7902000       1.359000      0.6379000      0.4541000       1.016000
  1 1 1      13   14   32 f    2.983000      0.5312000       2.416000 0.8432000       3.550000      0.6465000      -1.134000       1.062000
  1 1 1      13   14   33 o    3.158000      0.5370000       3.305000 0.7536000       3.011000      0.7652000      0.2942000       1.074000
  1 1 1      13   14   34 o    2.045000      0.8039000       2.045000 0.8039000                  ?              ?              ?              ?
  1 1 1      13   15    0 o    11.95000      0.2032000       11.65000 0.2820000       12.25000      0.2926000     -0.6006000      0.4064000
  1 1 1      13   15    1 f    7.046000      0.1853000       7.221000 0.2598000       6.871000      0.2641000      0.3503000      0.3705000
  1 1 1      13   15    2 o    4.587000      0.2187000       4.573000 0.3076000       4.602000      0.3111000     -0.2941000E-01  0.4374000
  1 1 1      13   15    3 o    3.802000      0.2331000       3.636000 0.3507000       3.969000      0.3071000     -0.3328000      0.4662000
  1 1 1      13   15    4 o    15.20000      0.2275000       15.15000 0.3189000       15.24000      0.3247000     -0.8946000E-01  0.4551000
  1 1 1      13   15    5 o    4.748000      0.1894000       4.618000 0.2641000       4.877000      0.2715000     -0.2590000      0.3788000
  1 1 1      13   15    6 o    5.966000      0.2296000       5.966000 0.2296000                  ?              ?              ?              ?
  1 1 1      13   15    7 o    9.167000      0.1624000       9.138000 0.2268000       9.196000      0.2324000     -0.5773000E-01  0.3247000
  1 1 1      13   15    8 f    1.009000      0.4429000                  ?       ?   1.009000      0.4429000                  ?              ?
  1 1 1      13   15    9 o    3.632000      0.1868000       3.480000 0.2603000       3.784000      0.2679000     -0.3039000      0.3736000
  1 1 1      13   15   10 o    7.792000      0.1890000       7.790000 0.2105000       7.794000      0.3140000     -0.3995000E-02  0.3780000
  1 1 1      13   15   11 o    4.912000      0.1756000       4.890000 0.2210000       4.934000      0.2730000     -0.4436000E-01  0.3513000
  1 1 1      13   15   12 o    4.674000      0.1996000       4.197000 0.2629000       5.150000      0.3005000     -0.9531000      0.3993000
  1 1 1      13   15   13 f    3.443000      0.2484000       3.662000 0.2888000       3.225000      0.4044000      0.4376000      0.4969000
  1 1 1      13   15   14 o    1.360000      0.3640000       1.611000 0.5392000       1.109000      0.4893000      0.5020000      0.7281000
  1 1 1      13   15   15 o    10.65000      0.2252000       10.44000 0.2948000       10.85000      0.3405000     -0.4037000      0.4504000
  1 1 1      13   15   16 o    8.609000      0.2203000       8.293000 0.3013000       8.925000      0.3216000     -0.6319000      0.4407000
  1 1 1      13   15   17 o    12.89000      0.2542000       12.72000 0.3170000       13.06000      0.3975000     -0.3440000      0.5084000
  1 1 1      13   15   18 o    13.50000      0.2341000       13.14000 0.3206000       13.85000      0.3412000     -0.7058000      0.4682000
  1 1 1      13   15   19 o    7.830000      0.2219000       7.858000 0.3237000       7.802000      0.3035000      0.5660000E-01  0.4437000
  1 1 1      13   15   20 o    3.747000      0.3980000       4.086000 0.5326000       3.408000      0.5917000      0.6778000      0.7961000
  1 1 1      13   15   21 o    1.885000      0.4736000       1.612000 0.6592000       2.158000      0.6802000     -0.5459000      0.9472000
  1 1 1      13   15   22 f    2.438000      0.4846000       2.203000 0.7122000       2.674000      0.6574000     -0.4705000      0.9693000
  1 1 1      13   15   23 o    3.086000      0.4206000       3.568000 0.5455000       2.603000      0.6404000      0.9652000      0.8412000
  1 1 1      13   15   24 o    4.366000      0.3521000       4.029000 0.5514000       4.702000      0.4380000     -0.6729000      0.7042000
  1 1 1      13   15   25 o    2.634000      0.5143000       2.347000 0.7712000       2.921000      0.6808000     -0.5742000       1.029000
  1 1 1      13   15   26 f    4.558000      0.3779000       4.321000 0.5871000       4.794000      0.4760000     -0.4734000      0.7558000
  1 1 1      13   15   27 o    4.913000      0.3676000       4.981000 0.5545000       4.845000      0.4826000      0.1357000      0.7352000
  1 1 1      13   15   28 o    4.476000      0.4575000       3.975000 0.7565000       4.978000      0.5148000      -1.002000      0.9151000
  1 1 1      13   15   29 o    2.243000      0.5918000       2.289000 0.8809000       2.197000      0.7904000      0.9134000E-01   1.184000
  1 1 1      13   15   30 o    7.423000      0.3171000       6.681000 0.5097000       8.165000      0.3773000      -1.484000      0.6342000
  1 1 1      13   15   31 o    2.820000      0.5947000       2.410000 0.9091000       3.230000      0.7669000     -0.8200000       1.189000
  1 1 1      13   15   32 o    4.181000      0.4930000       3.582000 0.8238000       4.780000      0.5419000      -1.197000      0.9860000
  1 1 1      13   15   33 o    2.350000      0.5639000       2.889000 0.8283000       1.811000      0.7654000       1.077000       1.128000
  1 1 1      13   15   34 o    1.892000      0.5443000       1.847000 0.7774000       1.938000      0.7621000     -0.9173000E-01   1.089000
  1 1 1      13   16    0 o    7.179000      0.1948000       7.362000 0.2742000       6.996000      0.2768000      0.3659000      0.3896000
  1 1 1      13   16    1 o    3.137000      0.2996000       2.973000 0.4575000       3.301000      0.3869000     -0.3273000      0.5992000
  1 1 1      13   16    2 o    8.999000      0.1824000       9.157000 0.2597000       8.841000      0.2563000      0.3159000      0.3649000
  1 1 1      13   16    3 o    3.230000      0.2689000       3.075000 0.4123000       3.384000      0.3452000     -0.3081000      0.5377000
  1 1 1      13   16    4 o    4.916000      0.1890000       4.840000 0.2675000       4.992000      0.2672000     -0.1517000      0.3780000
  1 1 1      13   16    5 o    6.833000      0.1638000       6.794000 0.2283000       6.872000      0.2350000     -0.7806000E-01  0.3276000
  1 1 1      13   16    6 o    7.341000      0.1569000       7.553000 0.2240000       7.130000      0.2197000      0.4230000      0.3137000
  1 1 1      13   16    7 o    9.680000      0.1685000       9.829000 0.2387000       9.531000      0.2380000      0.2981000      0.3371000
  1 1 1      13   16    8 o    5.711000      0.1543000       5.426000 0.2115000       5.995000      0.2247000     -0.5685000      0.3086000
  1 1 1      13   16    9 o    3.830000      0.1858000       3.928000 0.2480000       3.731000      0.2768000      0.1973000      0.3717000
  1 1 1      13   16   10 o    1.394000      0.3705000       1.217000 0.4813000       1.570000      0.5634000     -0.3532000      0.7410000
  1 1 1      13   16   11 o    4.473000      0.1966000       4.770000 0.2318000       4.176000      0.3176000      0.5932000      0.3932000
  1 1 1      13   16   12 o    4.470000      0.2175000       4.674000 0.2605000       4.266000      0.3482000      0.4079000      0.4349000
  1 1 1      13   16   13 o    4.553000      0.2125000       4.715000 0.2818000       4.392000      0.3181000      0.3233000      0.4250000
  1 1 1      13   16   14 o    2.896000      0.3349000       3.204000 0.3920000       2.588000      0.5430000      0.6159000      0.6697000
  1 1 1      13   16   15 o    9.920000      0.2237000       9.555000 0.3006000       10.29000      0.3313000     -0.7308000      0.4474000
  1 1 1      13   16   16 o    10.65000      0.2438000       10.43000 0.3299000       10.87000      0.3589000     -0.4399000      0.4875000
  1 1 1      13   16   17 o    16.85000      0.3103000       16.31000 0.3709000       17.39000      0.4975000      -1.086000      0.6205000
  1 1 1      13   16   18 o    4.159000      0.3734000       3.710000 0.6040000       4.607000      0.4392000     -0.8974000      0.7468000
  1 1 1      13   16   19 o    7.173000      0.2499000       6.694000 0.3804000       7.652000      0.3242000     -0.9579000      0.4998000
  1 1 1      13   16   20 o    3.791000      0.4286000       3.932000 0.5883000       3.650000      0.6235000      0.2815000      0.8573000
  1 1 1      13   16   21 o    3.589000      0.3887000       3.448000 0.5823000       3.731000      0.5151000     -0.2829000      0.7774000
  1 1 1      13   16   22 o    7.438000      0.2589000       7.580000 0.3808000       7.295000      0.3510000      0.2844000      0.5179000
  1 1 1      13   16   23 o    5.079000      0.2986000       5.001000 0.4446000       5.157000      0.3988000     -0.1565000      0.5972000
  1 1 1      13   16   24 o    1.827000      0.4975000       1.535000 0.6845000       2.119000      0.7222000     -0.5841000      0.9950000
  1 1 1      13   16   25 o    1.574000      0.4851000       1.703000 0.7294000       1.444000      0.6397000      0.2587000      0.9702000
  1 1 1      13   16   26 f    4.202000      0.3879000       4.578000 0.5470000       3.825000      0.5502000      0.7526000      0.7758000
  1 1 1      13   16   27 o    4.392000      0.4291000       4.161000 0.6885000       4.622000      0.5123000     -0.4611000      0.8582000
  1 1 1      13   16   28 o    4.623000      0.4176000       4.720000 0.6544000       4.526000      0.5188000      0.1933000      0.8351000
  1 1 1      13   16   29 o    1.790000      0.5535000       1.788000 0.8052000       1.792000      0.7596000     -0.3713000E-02   1.107000
  1 1 1      13   16   30 o    4.421000      0.4630000       4.378000 0.7261000       4.464000      0.5748000     -0.8618000E-01  0.9260000
  1 1 1      13   16   31 o    2.574000      0.6030000       3.182000 0.9166000       1.965000      0.7836000       1.216000       1.206000
  1 1 1      13   16   32 o    3.174000      0.5857000       2.714000 0.9368000       3.633000      0.7031000     -0.9189000       1.171000
  1 1 1      13   16   33 o    3.290000      0.5906000       3.348000 0.8592000       3.232000      0.8105000      0.1154000       1.181000
  1 1 1      13   17    0 o    2.562000      0.3793000       2.818000 0.5236000       2.305000      0.5489000      0.5126000      0.7585000
  1 1 1      13   17    1 o    6.647000      0.1962000       6.582000 0.2745000       6.712000      0.2804000     -0.1305000      0.3924000
  1 1 1      13   17    2 o    3.770000      0.2530000       3.961000 0.3375000       3.580000      0.3770000      0.3803000      0.5060000
  1 1 1      13   17    3 o    5.587000      0.1905000       5.705000 0.2707000       5.469000      0.2682000      0.2358000      0.3811000
  1 1 1      13   17    4 o    9.721000      0.1773000       9.731000 0.2497000       9.711000      0.2517000      0.1939000E-01  0.3546000
  1 1 1      13   17    5 o    1.497000      0.3811000       1.586000 0.5431000       1.407000      0.5347000      0.1792000      0.7622000
  1 1 1      13   17    6 o    2.835000      0.2652000       2.931000 0.3727000       2.740000      0.3773000      0.1907000      0.5304000
  1 1 1      13   17    7 o    4.528000      0.1805000       4.585000 0.2432000       4.470000      0.2667000      0.1152000      0.3610000
  1 1 1      13   17    8 o    5.387000      0.1640000       5.254000 0.2265000       5.520000      0.2373000     -0.2659000      0.3280000
  1 1 1      13   17    9 o    4.645000      0.1894000       4.642000 0.2538000       4.649000      0.2813000     -0.6243000E-02  0.3789000
  1 1 1      13   17   10 o    5.827000      0.1778000       6.130000 0.2268000       5.523000      0.2739000      0.6065000      0.3556000
  1 1 1      13   17   11 f    1.875000      0.3888000       1.910000 0.5108000       1.840000      0.5861000      0.7036000E-01  0.7775000
  1 1 1      13   17   12 o    3.985000      0.2425000       4.142000 0.2909000       3.828000      0.3881000      0.3141000      0.4850000
  1 1 1      13   17   13 o    3.116000      0.3128000       2.758000 0.4709000       3.473000      0.4119000     -0.7158000      0.6256000
  1 1 1      13   17   14 o    2.043000      0.4114000       1.650000 0.5735000       2.435000      0.5901000     -0.7849000      0.8229000
  1 1 1      13   17   15 f    3.373000      0.3408000       3.466000 0.4920000       3.280000      0.4717000      0.1859000      0.6816000
  1 1 1      13   17   16 o    4.130000      0.3573000       3.998000 0.5475000       4.262000      0.4591000     -0.2634000      0.7145000
  1 1 1      13   17   17 o    6.052000      0.2770000       5.773000 0.4104000       6.331000      0.3721000     -0.5573000      0.5540000
  1 1 1      13   17   18 o    8.312000      0.2512000       8.188000 0.3720000       8.435000      0.3376000     -0.2468000      0.5023000
  1 1 1      13   17   19 f    8.661000      0.2691000       8.938000 0.3925000       8.384000      0.3683000      0.5546000      0.5383000
  1 1 1      13   17   20 o    4.891000      0.3586000       5.105000 0.4931000       4.677000      0.5209000      0.4278000      0.7172000
  1 1 1      13   17   21 o    3.944000      0.4340000       3.814000 0.6667000       4.074000      0.5559000     -0.2605000      0.8680000
  1 1 1      13   17   22 o    1.365000      0.4391000       1.494000 0.6600000       1.235000      0.5793000      0.2587000      0.8782000
  1 1 1      13   17   23 o    2.972000      0.5019000       2.637000 0.7668000       3.307000      0.6479000     -0.6702000       1.004000
  1 1 1      13   17   24 o    3.328000      0.4527000       2.598000 0.7669000       4.057000      0.4813000      -1.459000      0.9054000
  1 1 1      13   17   25 o    2.202000      0.5502000       2.364000 0.8126000       2.041000      0.7419000      0.3234000       1.100000
  1 1 1      13   17   26 o    2.148000      0.5559000       2.078000 0.8068000       2.219000      0.7648000     -0.1412000       1.112000
  1 1 1      13   17   27 o    4.618000      0.4314000       4.453000 0.6918000       4.783000      0.5158000     -0.3301000      0.8629000
  1 1 1      13   17   28 o    2.075000      0.5841000       2.068000 0.8499000       2.082000      0.8015000     -0.1391000E-01   1.168000
  1 1 1      13   17   29 o    2.401000      0.6166000       2.597000 0.9321000       2.205000      0.8076000      0.3924000       1.233000
  1 1 1      13   17   30 o    3.529000      0.7608000       3.111000 0.9356000       3.947000       1.200000     -0.8357000       1.522000
  1 1 1      13   17   31 o    2.242000      0.7160000       2.443000 1.067000       2.042000      0.9551000      0.4005000       1.432000
  1 1 1      13   17   32 o    2.707000      0.7932000       2.593000 1.102000       2.822000       1.142000     -0.2299000       1.586000
  1 1 1      13   17   33 o    2.396000      0.6178000       2.714000 0.8997000       2.079000      0.8469000      0.6343000       1.236000
  1 1 1      13   18    0 o    5.643000      0.2138000       5.386000 0.3013000       5.900000      0.3033000     -0.5144000      0.4275000
  1 1 1      13   18    1 o    5.774000      0.1984000       5.548000 0.2909000       6.000000      0.2697000     -0.4527000      0.3967000
  1 1 1      13   18    2 o    4.773000      0.2111000       4.586000 0.3087000       4.960000      0.2880000     -0.3745000      0.4222000
  1 1 1      13   18    3 o    6.688000      0.1783000       6.891000 0.2511000       6.485000      0.2531000      0.4056000      0.3565000
  1 1 1      13   18    4 o    5.648000      0.1800000       5.637000 0.2606000       5.658000      0.2482000     -0.2120000E-01  0.3599000
  1 1 1      13   18    5 o    4.827000      0.1862000       4.824000 0.2693000       4.830000      0.2571000     -0.6081000E-02  0.3723000
  1 1 1      13   18    6 o    9.493000      0.1725000       9.418000 0.2384000       9.569000      0.2494000     -0.1510000      0.3450000
  1 1 1      13   18    7 o    1.079000      0.3342000       1.092000 0.4679000       1.065000      0.4773000      0.2712000E-01  0.6684000
  1 1 1      13   18    8 o    6.177000      0.1661000       6.261000 0.2248000       6.094000      0.2446000      0.1670000      0.3322000
  1 1 1      13   18    9 o    5.853000      0.1874000       5.866000 0.2468000       5.841000      0.2820000      0.2501000E-01  0.3748000
  1 1 1      13   18   10 o    1.404000      0.3853000       1.272000 0.5032000       1.536000      0.5835000     -0.2647000      0.7705000
  1 1 1      13   18   11 f    6.612000      0.1936000       6.570000 0.2531000       6.655000      0.2929000     -0.8507000E-01  0.3871000
  1 1 1      13   18   12 f    6.794000      0.2047000       6.756000 0.2616000       6.831000      0.3150000     -0.7577000E-01  0.4095000
  1 1 1      13   18   13 o    4.317000      0.2552000       4.328000 0.3324000       4.307000      0.3872000      0.2100000E-01  0.5103000
  1 1 1      13   18   14 o    2.968000      0.3825000       3.603000 0.4624000       2.333000      0.6095000       1.270000      0.7651000
  1 1 1      13   18   15 f    7.246000      0.2421000       7.523000 0.3450000       6.970000      0.3398000      0.5529000      0.4843000
  1 1 1      13   18   16 o    1.692000      0.4951000       1.921000 0.7424000       1.464000      0.6552000      0.4571000      0.9902000
  1 1 1      13   18   17 o    10.73000      0.2512000       10.61000 0.3450000       10.85000      0.3652000     -0.2414000      0.5023000
  1 1 1      13   18   18 o    10.23000      0.2622000       9.928000 0.3749000       10.54000      0.3667000     -0.6126000      0.5244000
  1 1 1      13   18   19 o    3.334000      0.6096000       3.286000 0.9067000       3.383000      0.8151000     -0.9769000E-01   1.219000
  1 1 1      13   18   20 o    4.812000      0.3981000       4.738000 0.5808000       4.886000      0.5447000     -0.1479000      0.7963000
  1 1 1      13   18   21 o    4.915000      0.3788000       5.176000 0.5315000       4.654000      0.5400000      0.5224000      0.7577000
  1 1 1      13   18   22 o    4.470000      0.3784000       4.118000 0.5721000       4.821000      0.4955000     -0.7033000      0.7569000
  1 1 1      13   18   23 o    5.631000      0.3248000       5.470000 0.4698000       5.793000      0.4486000     -0.3228000      0.6496000
  1 1 1      13   18   24 o    3.399000      0.4681000       4.063000 0.5842000       2.735000      0.7317000       1.328000      0.9362000
  1 1 1      13   18   25 o    1.413000      0.4650000       1.510000 0.6942000       1.316000      0.6189000      0.1942000      0.9300000
  1 1 1      13   18   26 f    3.368000      0.5036000       2.344000 0.8642000       4.391000      0.5172000      -2.047000       1.007000
  1 1 1      13   18   27 o    3.385000      0.9026000       4.051000 1.403000       2.719000       1.136000       1.332000       1.805000
  1 1 1      13   18   28 o    3.126000      0.9175000       3.040000 1.309000       3.213000       1.286000     -0.1730000       1.835000
  1 1 1      13   18   29 o    4.618000      0.9175000       4.501000 1.368000       4.736000       1.223000     -0.2360000       1.835000
  1 1 1      13   18   30 o    1.986000      0.5989000       2.171000 0.8942000       1.802000      0.7970000      0.3692000       1.198000
  1 1 1      13   18   31 o    2.363000      0.6215000       2.774000 0.9494000       1.952000      0.8022000      0.8215000       1.243000
  1 1 1      13   18   32 o    2.252000      0.6156000       2.726000 0.9581000       1.777000      0.7732000      0.9486000       1.231000
  1 1 1      13   18   33 o    2.337000      0.6508000       2.926000 1.018000       1.748000      0.8107000       1.178000       1.302000
  1 1 1      13   19    0 o    7.629000      0.3053000       7.700000 0.3842000       7.559000      0.4747000      0.1414000      0.6107000
  1 1 1      13   19    1 o    10.46000      0.2898000       10.35000 0.3814000       10.57000      0.4365000     -0.2177000      0.5797000
  1 1 1      13   19    2 o    2.784000      0.5091000       2.976000 0.5906000       2.593000      0.8293000      0.3829000       1.018000
  1 1 1      13   19    3 f    3.323000      0.3884000       2.960000 0.4336000       3.685000      0.6444000     -0.7253000      0.7767000
  1 1 1      13   19    4 o    7.411000      0.1708000       7.419000 0.2393000       7.404000      0.2437000      0.1411000E-01  0.3415000
  1 1 1      13   19    5 o    4.019000      0.2164000       4.176000 0.2795000       3.861000      0.3305000      0.3143000      0.4328000
  1 1 1      13   19    6 o    7.193000      0.1657000       7.081000 0.2257000       7.305000      0.2427000     -0.2242000      0.3314000
  1 1 1      13   19    7 o    3.359000      0.3174000       3.359000 0.3174000                  ?              ?              ?              ?
  1 1 1      13   19    8 o    6.500000      0.1776000       6.397000 0.2320000       6.602000      0.2688000     -0.2051000      0.3551000
  1 1 1      13   19    9 o    6.136000      0.2787000                  ?       ?   6.136000      0.2787000                  ?              ?
  1 1 1      13   19   10 o    6.076000      0.2104000       6.131000 0.2618000       6.021000      0.3295000      0.1101000      0.4208000
  1 1 1      13   19   11 o    9.097000      0.2120000       8.802000 0.2715000       9.392000      0.3256000     -0.5908000      0.4240000
  1 1 1      13   19   12 o    6.242000      0.2239000       6.466000 0.2780000       6.017000      0.3511000      0.4486000      0.4478000
  1 1 1      13   19   13 o    4.472000      0.2767000       4.780000 0.3838000       4.164000      0.3988000      0.6161000      0.5535000
  1 1 1      13   19   14 o    6.602000      0.2390000       6.368000 0.3425000       6.836000      0.3334000     -0.4686000      0.4780000
  1 1 1      13   19   15 o    8.998000      0.2541000       8.898000 0.3557000       9.098000      0.3629000     -0.2005000      0.5081000
  1 1 1      13   19   16 f    4.056000      0.4139000       4.063000 0.6292000       4.049000      0.5378000      0.1383000E-01  0.8277000
  1 1 1      13   19   17 o    7.654000      0.2726000       7.614000 0.4061000       7.693000      0.3638000     -0.7863000E-01  0.5452000
  1 1 1      13   19   18 o    5.143000      0.4165000       5.568000 0.5938000       4.718000      0.5841000      0.8498000      0.8329000
  1 1 1      13   19   19 f    2.750000      0.6692000       2.665000 0.9560000       2.835000      0.9367000     -0.1694000       1.338000
  1 1 1      13   19   20 o    9.844000      0.2820000       9.802000 0.4146000       9.885000      0.3824000     -0.8256000E-01  0.5640000
  1 1 1      13   19   21 o    3.831000      0.8217000       2.887000 1.279000       4.775000       1.032000      -1.888000       1.643000
  1 1 1      13   19   22 o    4.101000      0.9345000       4.811000 1.350000       3.391000       1.293000       1.420000       1.869000
  1 1 1      13   19   23 o    2.974000      0.8885000       3.447000 1.381000       2.502000       1.118000      0.9448000       1.777000
  1 1 1      13   19   24 o    3.671000      0.9794000       4.152000 1.487000       3.189000       1.275000      0.9630000       1.959000
  1 1 1      13   19   25 o    4.030000       1.004000       4.043000 1.483000       4.017000       1.352000      0.2555000E-01   2.007000
  1 1 1      13   19   26 o    5.422000      0.3929000       5.044000 0.6326000       5.800000      0.4662000     -0.7566000      0.7859000
  1 1 1      13   19   27 o    3.709000      0.5706000       3.571000 0.8901000       3.848000      0.7141000     -0.2768000       1.141000
  1 1 1      13   19   28 o    3.608000      0.5949000       3.501000 0.9093000       3.714000      0.7674000     -0.2126000       1.190000
  1 1 1      13   19   29 o    3.898000      0.5707000       4.453000 0.8015000       3.342000      0.8125000       1.111000       1.141000
  1 1 1      13   19   30 o    2.357000      0.6726000       2.508000 1.014000       2.206000      0.8837000      0.3015000       1.345000
  1 1 1      13   19   31 o    3.491000      0.7191000       3.475000 1.077000       3.507000      0.9528000     -0.3190000E-01   1.438000
  1 1 1      13   19   32 o    2.429000      0.5961000       1.760000 0.7960000       3.099000      0.8875000      -1.340000       1.192000
  1 1 1      13   20    0 o    4.769000      0.2758000       4.719000 0.4463000       4.818000      0.3243000     -0.9888000E-01  0.5517000
  1 1 1      13   20    1 o    3.318000      0.2816000       3.439000 0.4058000       3.197000      0.3907000      0.2426000      0.5633000
  1 1 1      13   20    2 o    5.884000      0.1912000       5.554000 0.2701000       6.215000      0.2706000     -0.6616000      0.3823000
  1 1 1      13   20    3 o    12.70000      0.2047000       12.28000 0.2831000       13.12000      0.2958000     -0.8433000      0.4094000
  1 1 1      13   20    4 o    5.260000      0.3072000       5.317000 0.3800000       5.203000      0.4829000      0.1140000      0.6145000
  1 1 1      13   20    5 o    5.388000      0.3093000       5.136000 0.4018000       5.640000      0.4703000     -0.5039000      0.6186000
  1 1 1      13   20    6 o    6.501000      0.2665000       6.406000 0.3360000       6.595000      0.4137000     -0.1893000      0.5329000
  1 1 1      13   20    7 o    3.602000      0.4517000       3.602000 0.4517000                  ?              ?              ?              ?
  1 1 1      13   20    8 o    5.816000      0.2541000       5.962000 0.3255000       5.670000      0.3904000      0.2920000      0.5083000
  1 1 1      13   20    9 f    7.505000      0.3631000                  ?       ?   7.505000      0.3631000                  ?              ?
  1 1 1      13   20   10 o    7.233000      0.2385000       7.042000 0.3171000       7.424000      0.3564000     -0.3825000      0.4770000
  1 1 1      13   20   11 o    3.770000      0.3538000       3.627000 0.5239000       3.913000      0.4756000     -0.2860000      0.7076000
  1 1 1      13   20   12 o    5.805000      0.2607000       6.198000 0.3616000       5.413000      0.3755000      0.7847000      0.5213000
  1 1 1      13   20   13 o    3.241000      0.4108000       3.611000 0.5217000       2.870000      0.6347000      0.7406000      0.8216000
  1 1 1      13   20   14 o    3.043000      0.4528000       2.799000 0.6961000       3.286000      0.5794000     -0.4868000      0.9057000
  1 1 1      13   20   15 o    5.376000      0.3401000       5.303000 0.5245000       5.448000      0.4333000     -0.1448000      0.6803000
  1 1 1      13   20   16 o    8.144000      0.3000000       8.250000 0.4547000       8.038000      0.3914000      0.2116000      0.6000000
  1 1 1      13   20   17 o    2.824000      0.5950000       3.411000 0.8723000       2.238000      0.8095000       1.173000       1.190000
  1 1 1      13   20   18 o    4.163000      0.6582000       3.214000 1.142000       5.111000      0.6545000      -1.897000       1.316000
  1 1 1      13   20   19 f    4.762000      0.8305000       4.455000 1.439000       5.068000      0.8292000     -0.6131000       1.661000
  1 1 1      13   20   20 o    10.77000      0.2684000       10.92000 0.3944000       10.62000      0.3641000      0.2933000      0.5368000
  1 1 1      13   20   21 o    9.349000      0.2955000       9.812000 0.4453000       8.885000      0.3885000      0.9272000      0.5910000
  1 1 1      13   20   22 o    4.973000      0.3805000       4.934000 0.5491000       5.013000      0.5267000     -0.7936000E-01  0.7609000
  1 1 1      13   20   23 o    2.391000      0.5477000       3.109000 0.8220000       1.672000      0.7241000       1.436000       1.095000
  1 1 1      13   20   24 o    5.345000      0.3951000       4.927000 0.6319000       5.763000      0.4743000     -0.8362000      0.7901000
  1 1 1      13   20   25 o    2.556000      0.5806000       2.318000 0.8562000       2.795000      0.7844000     -0.4774000       1.161000
  1 1 1      13   20   26 o    4.573000      0.5005000       3.946000 0.8286000       5.200000      0.5617000      -1.254000       1.001000
  1 1 1      13   20   27 o    2.270000      0.6395000       2.173000 0.9249000       2.367000      0.8833000     -0.1942000       1.279000
  1 1 1      13   20   28 o    2.603000      0.6674000       3.176000 1.020000       2.029000      0.8607000       1.147000       1.335000
  1 1 1      13   20   29 o    2.511000      0.6661000       2.765000 0.9950000       2.257000      0.8857000      0.5085000       1.332000
  1 1 1      13   20   30 o    2.234000      0.6327000       1.897000 0.8624000       2.571000      0.9260000     -0.6740000       1.265000
  1 1 1      13   20   31 o    3.764000      0.6542000       3.361000 1.037000       4.167000      0.7975000     -0.8065000       1.308000
  1 1 1      13   20   32 o    2.772000      0.6905000       2.737000 0.9921000       2.806000      0.9605000     -0.6943000E-01   1.381000
  1 1 1      13   21    0 o    1.641000      0.4353000       1.412000 0.6283000       1.870000      0.6027000     -0.4577000      0.8707000
  1 1 1      13   21    1 f    4.371000      0.2936000       4.111000 0.4587000       4.632000      0.3668000     -0.5211000      0.5873000
  1 1 1      13   21    2 o    3.292000      0.3590000       3.197000 0.5840000       3.388000      0.4178000     -0.1909000      0.7181000
  1 1 1      13   21    3 o    6.923000      0.2252000       7.197000 0.3375000       6.648000      0.2983000      0.5486000      0.4504000
  1 1 1      13   21    4 o    7.365000      0.2079000       7.617000 0.3268000       7.113000      0.2572000      0.5041000      0.4159000
  1 1 1      13   21    5 o    10.63000      0.1855000       10.51000 0.2534000       10.76000      0.2711000     -0.2436000      0.3711000
  1 1 1      13   21    6 o    10.01000      0.1831000       9.746000 0.2478000       10.27000      0.2697000     -0.5260000      0.3663000
  1 1 1      13   21    7 o    1.400000      0.4059000       1.268000 0.5299000       1.532000      0.6150000     -0.2638000      0.8118000
  1 1 1      13   21    8 o    6.038000      0.2088000       6.000000 0.2671000       6.076000      0.3210000     -0.7613000E-01  0.4175000
  1 1 1      13   21    9 o    5.575000      0.2319000       5.522000 0.2669000       5.628000      0.3793000     -0.1064000      0.4638000
  1 1 1      13   21   10 o    8.900000      0.2275000       9.089000 0.2990000       8.711000      0.3430000      0.3777000      0.4551000
  1 1 1      13   21   11 o    4.841000      0.2949000       4.985000 0.3766000       4.696000      0.4539000      0.2887000      0.5898000
  1 1 1      13   21   12 o    4.130000      0.3506000       4.730000 0.4084000       3.530000      0.5699000       1.200000      0.7011000
  1 1 1      13   21   13 o    3.114000      0.4349000       2.984000 0.6317000       3.244000      0.5980000     -0.2604000      0.8698000
  1 1 1      13   21   14 o    6.950000      0.2719000       6.604000 0.4073000       7.296000      0.3602000     -0.6915000      0.5437000
  1 1 1      13   21   15 o    3.410000      0.5162000       3.660000 0.7073000       3.160000      0.7521000      0.4998000       1.032000
  1 1 1      13   21   16 o    7.054000      0.3109000       6.293000 0.4821000       7.815000      0.3926000      -1.522000      0.6218000
  1 1 1      13   21   17 o    2.023000      0.5782000       2.161000 0.8565000       1.885000      0.7769000      0.2762000       1.156000
  1 1 1      13   21   18 f    5.680000      0.4453000       5.862000 0.6382000       5.498000      0.6213000      0.3635000      0.8907000
  1 1 1      13   21   19 o    5.175000      0.4588000       4.858000 0.7298000       5.492000      0.5563000     -0.6345000      0.9177000
  1 1 1      13   21   20 o    4.092000      0.6477000       4.643000 0.7785000       3.541000       1.035000       1.103000       1.295000
  1 1 1      13   21   21 o    8.698000      0.3621000       7.970000 0.5208000       9.426000      0.5031000      -1.456000      0.7241000
  1 1 1      13   21   22 o    2.223000      0.6069000       1.710000 0.7890000       2.735000      0.9224000      -1.025000       1.214000
  1 1 1      13   21   23 o    2.709000      0.6205000       3.024000 0.8795000       2.395000      0.8756000      0.6292000       1.241000
  1 1 1      13   21   24 o    2.449000      0.5947000       1.754000 0.7797000       3.143000      0.8983000      -1.389000       1.189000
  1 1 1      13   21   25 o    2.281000      0.6127000       2.373000 0.9077000       2.189000      0.8233000      0.1846000       1.225000
  1 1 1      13   21   26 f    2.381000      0.6979000       2.613000 0.9353000       2.149000       1.036000      0.4636000       1.396000
  1 1 1      13   21   27 o    3.266000      0.6461000       3.731000 0.9090000       2.802000      0.9185000      0.9285000       1.292000
  1 1 1      13   21   28 o    2.871000      0.6732000       2.844000 0.9825000       2.898000      0.9205000     -0.5388000E-01   1.346000
  1 1 1      13   21   29 o    2.843000      0.6535000       2.233000 0.9341000       3.453000      0.9143000      -1.220000       1.307000
  1 1 1      13   21   30 o    2.537000      0.6551000       2.018000 0.8993000       3.055000      0.9528000      -1.038000       1.310000
  1 1 1      13   21   31 o    3.022000      0.6933000       3.186000 1.018000       2.858000      0.9414000      0.3284000       1.387000
  1 1 1      13   22    0 o    1.094000      0.3598000       1.172000 0.5321000       1.017000      0.4843000      0.1552000      0.7195000
  1 1 1      13   22    1 o    3.698000      0.2782000       3.445000 0.4194000       3.952000      0.3657000     -0.5072000      0.5565000
  1 1 1      13   22    2 o    1.658000      0.4209000       1.826000 0.6084000       1.491000      0.5819000      0.3341000      0.8419000
  1 1 1      13   22    3 o    1.856000      0.4202000       2.058000 0.6002000       1.655000      0.5882000      0.4020000      0.8403000
  1 1 1      13   22    4 o    5.624000      0.2023000       5.993000 0.2574000       5.255000      0.3121000      0.7375000      0.4045000
  1 1 1      13   22    5 o    1.562000      0.4167000       1.755000 0.6051000       1.370000      0.5730000      0.3852000      0.8333000
  1 1 1      13   22    6 o    4.551000      0.3377000       4.167000 0.4637000       4.934000      0.4912000     -0.7673000      0.6755000
  1 1 1      13   22    7 o    3.676000      0.5069000       3.771000 0.6256000       3.582000      0.7978000      0.1889000       1.014000
  1 1 1      13   22    8 o    2.789000      0.5879000       3.200000 0.7784000       2.379000      0.8813000      0.8209000       1.176000
  1 1 1      13   22    9 o    6.900000      0.6536000       7.733000 0.5679000       6.067000       1.177000       1.666000       1.307000
  1 1 1      13   22   10 o    14.40000      0.4714000       14.48000 0.5576000       14.31000      0.7602000      0.1690000      0.9428000
  1 1 1      13   22   11 o    3.558000      0.9586000       3.601000 1.165000       3.515000       1.523000      0.8622000E-01   1.917000
  1 1 1      13   22   12 o    4.345000       1.190000       4.164000 1.377000       4.525000       1.941000     -0.3616000       2.380000
  1 1 1      13   22   13 o    5.647000       1.258000       4.132000 1.458000       7.161000       2.051000      -3.029000       2.517000
  1 1 1      13   22   14 o    5.213000       1.381000       4.652000 1.626000       5.774000       2.232000      -1.122000       2.761000
  1 1 1      13   22   15 o    6.780000       1.188000       7.065000 1.237000       6.496000       2.029000      0.5695000       2.376000
  1 1 1      13   22   16 o    4.010000       1.145000       3.441000 1.391000       4.579000       1.819000      -1.138000       2.290000
  1 1 1      13   22   17 o    1.745000      0.5402000       1.551000 0.7265000       1.939000      0.7997000     -0.3880000       1.080000
  1 1 1      13   22   18 o    6.847000      0.4008000       7.116000 0.5698000       6.577000      0.5637000      0.5392000      0.8015000
  1 1 1      13   22   19 o    5.700000      0.5097000       5.833000 0.7487000       5.566000      0.6917000      0.2672000       1.019000
  1 1 1      13   22   20 o    1.547000      0.5183000       1.604000 0.7547000       1.491000      0.7107000      0.1134000       1.037000
  1 1 1      13   22   21 o    4.491000      0.5355000       3.817000 0.8614000       5.165000      0.6366000      -1.348000       1.071000
  1 1 1      13   22   22 f    3.217000      0.6078000       3.855000 0.8188000       2.579000      0.8986000       1.277000       1.216000
  1 1 1      13   22   23 o    4.901000      0.4495000       4.557000 0.6945000       5.245000      0.5708000     -0.6874000      0.8990000
  1 1 1      13   22   24 o    2.631000      0.6470000       2.955000 0.9563000       2.308000      0.8718000      0.6470000       1.294000
  1 1 1      13   22   25 o    2.501000      0.6143000       3.100000 0.9258000       1.902000      0.8076000       1.199000       1.229000
  1 1 1      13   22   26 o    1.855000      0.5743000       1.917000 0.8400000       1.793000      0.7834000      0.1234000       1.149000
  1 1 1      13   22   27 o    5.003000      0.4893000       5.251000 0.7178000       4.755000      0.6653000      0.4963000      0.9787000
  1 1 1      13   22   28 o    1.727000      0.5659000       1.932000 0.8688000       1.522000      0.7254000      0.4096000       1.132000
  1 1 1      13   22   29 o    2.994000      0.7056000       3.152000 1.017000       2.836000      0.9787000      0.3160000       1.411000
  1 1 1      13   22   30 o    2.304000      0.6600000       2.785000 1.026000       1.822000      0.8310000      0.9637000       1.320000
  1 1 1      13   23    0 o    6.464000      0.2134000       6.859000 0.3037000       6.069000      0.2998000      0.7899000      0.4267000
  1 1 1      13   23    1 o    6.351000      0.2022000       6.270000 0.2869000       6.432000      0.2850000     -0.1617000      0.4044000
  1 1 1      13   23    2 o    4.551000      0.2460000       4.174000 0.3536000       4.927000      0.3422000     -0.7532000      0.4921000
  1 1 1      13   23    3 o    1.398000      0.4117000       1.485000 0.6011000       1.311000      0.5626000      0.1742000      0.8233000
  1 1 1      13   23    4 o    3.243000      0.3134000       3.242000 0.4407000       3.244000      0.4456000     -0.2455000E-02  0.6268000
  1 1 1      13   23    5 o    1.185000      0.3761000       1.289000 0.5532000       1.081000      0.5099000      0.2080000      0.7523000
  1 1 1      13   23    6 o    2.000000      0.4725000       1.778000 0.5956000       2.222000      0.7337000     -0.4442000      0.9450000
  1 1 1      13   23    7 o    1.422000      0.4267000       1.452000 0.5814000       1.392000      0.6249000      0.5951000E-01  0.8535000
  1 1 1      13   23    8 o    5.971000      0.3547000       6.711000 0.5511000       5.231000      0.4466000       1.480000      0.7094000
  1 1 1      13   23    9 o    3.779000      0.4211000       4.440000 0.4078000       3.117000      0.7369000       1.322000      0.8423000
  1 1 1      13   23   10 o    4.286000      0.3415000       4.000000 0.4673000       4.571000      0.4980000     -0.5712000      0.6829000
  1 1 1      13   23   11 o    6.470000      0.2807000       6.548000 0.3818000       6.392000      0.4115000      0.1566000      0.5614000
  1 1 1      13   23   12 o    1.723000      0.4781000       2.133000 0.7379000       1.314000      0.6082000      0.8189000      0.9562000
  1 1 1      13   23   13 o    3.809000      0.4175000       4.368000 0.4691000       3.249000      0.6909000       1.118000      0.8351000
  1 1 1      13   23   14 o    3.123000      0.5514000       3.599000 0.7260000       2.647000      0.8302000      0.9521000       1.103000
  1 1 1      13   23   15 o    6.730000      0.3204000       6.782000 0.4544000       6.678000      0.4520000      0.1049000      0.6409000
  1 1 1      13   23   16 o    6.850000      0.3375000       7.200000 0.4968000       6.500000      0.4569000      0.7001000      0.6750000
  1 1 1      13   23   17 o    5.529000      0.3923000       5.255000 0.5840000       5.804000      0.5239000     -0.5493000      0.7846000
  1 1 1      13   23   18 o    2.874000      0.6945000       2.431000 0.9949000       3.317000      0.9693000     -0.8858000       1.389000
  1 1 1      13   23   19 o    5.208000      0.5854000       5.032000 0.9082000       5.383000      0.7389000     -0.3507000       1.171000
  1 1 1      13   23   20 o    3.189000      0.6193000       2.303000 0.9245000       4.074000      0.8242000      -1.771000       1.239000
  1 1 1      13   23   21 o    2.895000      0.6564000       2.764000 0.9219000       3.026000      0.9346000     -0.2619000       1.313000
  1 1 1      13   23   22 o    2.593000      0.6584000       2.578000 0.9298000       2.608000      0.9325000     -0.2961000E-01   1.317000
  1 1 1      13   23   23 o    4.344000      0.5283000       4.123000 0.8043000       4.564000      0.6851000     -0.4415000       1.057000
  1 1 1      13   23   24 o    2.313000      0.6332000       2.758000 0.9789000       1.869000      0.8034000      0.8892000       1.266000
  1 1 1      13   23   25 o    2.937000      0.6266000       3.854000 0.9127000       2.020000      0.8588000       1.834000       1.253000
  1 1 1      13   23   26 o    2.574000      0.6564000       2.382000 0.9541000       2.767000      0.9017000     -0.3851000       1.313000
  1 1 1      13   23   27 o    2.979000      0.6881000       3.165000 0.9983000       2.792000      0.9472000      0.3730000       1.376000
  1 1 1      13   23   28 o    5.480000      0.5100000       5.256000 0.7796000       5.704000      0.6579000     -0.4489000       1.020000
  1 1 1      13   23   29 o    3.180000      0.6978000       3.730000 1.006000       2.629000      0.9672000       1.100000       1.396000
  1 1 1      13   23   30 o    2.649000      0.7013000       2.579000 1.017000       2.718000      0.9657000     -0.1394000       1.403000
  1 1 1      13   24    0 o    4.425000      0.2752000       4.107000 0.4123000       4.742000      0.3648000     -0.6351000      0.5505000
  1 1 1      13   24    1 o    1.731000      0.4521000       1.590000 0.6215000       1.871000      0.6567000     -0.2812000      0.9041000
  1 1 1      13   24    2 o    8.706000      0.2008000       8.561000 0.2742000       8.850000      0.2935000     -0.2893000      0.4017000
  1 1 1      13   24    3 f    5.358000      0.2283000       5.348000 0.3291000       5.368000      0.3165000     -0.1955000E-01  0.4566000
  1 1 1      13   24    4 o    10.70000      0.2007000       10.63000 0.2756000       10.78000      0.2918000     -0.1537000      0.4014000
  1 1 1      13   24    5 o    6.859000      0.2268000       6.963000 0.2814000       6.754000      0.3559000      0.2097000      0.4537000
  1 1 1      13   24    6 o    5.742000      0.2500000       5.441000 0.3282000       6.044000      0.3773000     -0.6032000      0.5001000
  1 1 1      13   24    7 o    7.239000      0.2225000       7.421000 0.2825000       7.057000      0.3438000      0.3641000      0.4450000
  1 1 1      13   24    8 o    10.57000      0.3065000       10.57000 0.3065000                  ?              ?              ?              ?
  1 1 1      13   24    9 o    5.509000      0.3016000       5.280000 0.3870000       5.739000      0.4628000     -0.4591000      0.6033000
  1 1 1      13   24   10 o    8.401000      0.3790000                  ?       ?   8.401000      0.3790000                  ?              ?
  1 1 1      13   24   11 o    2.029000      0.5285000       2.290000 0.7688000       1.769000      0.7254000      0.5208000       1.057000
  1 1 1      13   24   12 o    3.134000      0.4709000       3.430000 0.5798000       2.838000      0.7422000      0.5925000      0.9418000
  1 1 1      13   24   13 o    7.183000      0.2861000       7.307000 0.3961000       7.059000      0.4130000      0.2481000      0.5722000
  1 1 1      13   24   14 o    6.834000      0.3175000       6.404000 0.4505000       7.264000      0.4475000     -0.8595000      0.6350000
  1 1 1      13   24   15 o    3.394000      0.5800000       2.695000 0.9225000       4.094000      0.7032000      -1.400000       1.160000
  1 1 1      13   24   16 o    10.71000      0.3088000       10.82000 0.4295000       10.60000      0.4438000      0.2229000      0.6176000
  1 1 1      13   24   17 o    5.301000      0.4316000       5.855000 0.5558000       4.746000      0.6604000       1.109000      0.8631000
  1 1 1      13   24   18 f    4.289000      0.6677000       4.536000 0.9454000       4.042000      0.9433000      0.4943000       1.335000
  1 1 1      13   24   19 o    2.224000      0.6742000       2.382000 0.9954000       2.065000      0.9097000      0.3170000       1.348000
  1 1 1      13   24   20 f    5.743000      0.4722000       6.449000 0.6440000       5.036000      0.6908000       1.413000      0.9445000
  1 1 1      13   24   21 o    3.079000      0.6795000       3.122000 0.9295000       3.037000      0.9913000      0.8487000E-01   1.359000
  1 1 1      13   24   22 o    5.068000      0.5021000       4.883000 0.7163000       5.252000      0.7037000     -0.3688000       1.004000
  1 1 1      13   24   23 o    3.508000      0.6236000       4.283000 0.8253000       2.732000      0.9350000       1.551000       1.247000
  1 1 1      13   24   24 o    2.700000      0.6604000       2.335000 0.9544000       3.065000      0.9131000     -0.7301000       1.321000
  1 1 1      13   24   25 o    2.236000      0.6404000       1.925000 0.8692000       2.547000      0.9408000     -0.6224000       1.281000
  1 1 1      13   24   26 o    3.712000      0.6626000       3.967000 0.9565000       3.458000      0.9172000      0.5086000       1.325000
  1 1 1      13   24   27 o    2.479000      0.6894000       2.847000 1.061000       2.110000      0.8805000      0.7367000       1.379000
  1 1 1      13   24   28 o    2.923000      0.7216000       2.840000 1.061000       3.007000      0.9788000     -0.1674000       1.443000
  1 1 1      13   24   29 o    2.578000      0.7012000       3.072000 1.070000       2.085000      0.9064000      0.9870000       1.402000
  1 1 1      13   25    0 o    5.664000      0.2366000       5.406000 0.3500000       5.921000      0.3186000     -0.5143000      0.4733000
  1 1 1      13   25    1 o    5.947000      0.2371000       6.221000 0.3222000       5.672000      0.3480000      0.5488000      0.4742000
  1 1 1      13   25    2 o    11.14000      0.2087000       11.35000 0.2929000       10.94000      0.2974000      0.4121000      0.4174000
  1 1 1      13   25    3 o    4.142000      0.3053000       3.668000 0.4494000       4.617000      0.4133000     -0.9497000      0.6106000
  1 1 1      13   25    4 o    5.472000      0.2732000       5.333000 0.3670000       5.612000      0.4048000     -0.2799000      0.5463000
  1 1 1      13   25    5 o    6.683000      0.2319000       6.553000 0.2975000       6.814000      0.3559000     -0.2612000      0.4639000
  1 1 1      13   25    6 o    2.449000      0.4967000       2.125000 0.6567000       2.774000      0.7455000     -0.6491000      0.9935000
  1 1 1      13   25    7 o    2.530000      0.4652000       1.596000 0.6517000       3.463000      0.6641000      -1.866000      0.9304000
  1 1 1      13   25    8 o    2.946000      0.6285000       2.946000 0.6285000                  ?              ?              ?              ?
  1 1 1      13   25    9 o    1.770000      0.4978000       1.245000 0.5853000       2.295000      0.8054000      -1.050000      0.9956000
  1 1 1      13   25   11 o    9.807000      0.2699000       9.542000 0.3754000       10.07000      0.3878000     -0.5298000      0.5397000
  1 1 1      13   25   12 o    5.472000      0.3256000       5.712000 0.4431000       5.231000      0.4773000      0.4815000      0.6513000
  1 1 1      13   25   13 o    6.289000      0.3176000       6.200000 0.4233000       6.379000      0.4735000     -0.1789000      0.6351000
  1 1 1      13   25   14 o    12.99000      0.3254000       13.08000 0.4702000       12.89000      0.4498000      0.1879000      0.6507000
  1 1 1      13   25   15 o    3.966000      0.5596000       4.140000 0.8287000       3.793000      0.7523000      0.3470000       1.119000
  1 1 1      13   25   16 o    6.346000      0.4252000       6.757000 0.6071000       5.935000      0.5955000      0.8222000      0.8504000
  1 1 1      13   25   17 o    6.677000      0.3694000       6.566000 0.5281000       6.788000      0.5167000     -0.2219000      0.7389000
  1 1 1      13   25   18 o    7.759000      0.3740000       8.005000 0.5167000       7.514000      0.5407000      0.4912000      0.7480000
  1 1 1      13   25   19 o    4.492000      0.6193000       5.951000 0.6969000       3.034000       1.024000       2.916000       1.239000
  1 1 1      13   25   20 o    3.240000      0.6896000       3.460000 0.9171000       3.020000       1.030000      0.4400000       1.379000
  1 1 1      13   25   21 o    9.086000      0.3768000       9.419000 0.5669000       8.753000      0.4966000      0.6661000      0.7536000
  1 1 1      13   25   22 o    2.832000      0.7182000       2.588000 0.9971000       3.075000       1.034000     -0.4867000       1.436000
  1 1 1      13   25   23 o    2.136000      0.6475000       2.055000 0.9094000       2.216000      0.9221000     -0.1614000       1.295000
  1 1 1      13   25   24 o    2.356000      0.6794000       2.417000 0.9879000       2.295000      0.9329000      0.1221000       1.359000
  1 1 1      13   25   25 o    2.410000      0.6895000       2.770000 1.053000       2.050000      0.8899000      0.7202000       1.379000
  1 1 1      13   25   26 o    2.465000      0.6837000       2.915000 1.052000       2.015000      0.8732000      0.9001000       1.367000
  1 1 1      13   25   27 o    1.949000      0.6189000       1.942000 0.8842000       1.956000      0.8661000     -0.1418000E-01   1.238000
  1 1 1      13   25   28 o    2.607000      0.7255000       2.795000 1.061000       2.420000      0.9901000      0.3756000       1.451000
  1 1 1      13   26    0 o    6.346000      0.2399000       6.765000 0.3166000       5.928000      0.3605000      0.8365000      0.4798000
  1 1 1      13   26    1 o    4.261000      0.2877000       4.217000 0.4090000       4.306000      0.4046000     -0.8892000E-01  0.5753000
  1 1 1      13   26    2 o    2.365000      0.4733000       2.471000 0.6544000       2.259000      0.6839000      0.2116000      0.9466000
  1 1 1      13   26    3 o    12.04000      0.2231000       12.10000 0.3083000       11.97000      0.3225000      0.1346000      0.4462000
  1 1 1      13   26    4 o    7.661000      0.2383000       7.935000 0.3025000       7.387000      0.3683000      0.5486000      0.4766000
  1 1 1      13   26    5 o    4.298000      0.3315000       4.392000 0.4031000       4.204000      0.5263000      0.1885000      0.6629000
  1 1 1      13   26    6 o    2.610000      0.5114000       2.368000 0.6712000       2.853000      0.7717000     -0.4851000       1.023000
  1 1 1      13   26    7 o    3.980000      0.3924000       3.788000 0.5111000       4.173000      0.5956000     -0.3843000      0.7848000
  1 1 1      13   26    8 o    9.071000      0.3838000       9.312000 0.6435000       8.830000      0.4185000      0.4818000      0.7676000
  1 1 1      13   26    9 o    7.563000      0.2669000       7.668000 0.3411000       7.458000      0.4106000      0.2097000      0.5338000
  1 1 1      13   26   10 o    1.655000      0.4951000       1.524000 0.6461000       1.786000      0.7504000     -0.2613000      0.9902000
  1 1 1      13   26   11 o    6.803000      0.7614000       6.313000 1.470000       7.293000      0.3982000     -0.9800000       1.523000
  1 1 1      13   26   12 o    2.299000      0.5581000       2.316000 0.7660000       2.281000      0.8120000      0.3502000E-01   1.116000
  1 1 1      13   26   13 o    2.976000      0.5847000       3.090000 0.8162000       2.862000      0.8374000      0.2280000       1.169000
  1 1 1      13   26   14 o    4.347000      0.7061000       5.674000 0.5877000       3.020000       1.284000       2.654000       1.412000
  1 1 1      13   26   15 o    5.779000      0.4210000       6.298000 0.5752000       5.259000      0.6148000       1.039000      0.8419000
  1 1 1      13   26   16 o    6.521000      0.3712000       6.661000 0.5174000       6.381000      0.5324000      0.2803000      0.7424000
  1 1 1      13   26   17 o    7.226000      0.3481000       7.518000 0.4744000       6.935000      0.5095000      0.5830000      0.6962000
  1 1 1      13   26   18 o    4.665000      0.5873000       3.944000 0.9239000       5.386000      0.7254000      -1.443000       1.175000
  1 1 1      13   26   19 o    3.337000      0.6632000       2.308000 0.9449000       4.367000      0.9308000      -2.059000       1.326000
  1 1 1      13   26   20 o    5.310000      0.4974000       5.512000 0.6252000       5.108000      0.7736000      0.4040000      0.9947000
  1 1 1      13   26   21 o    6.820000      0.4099000       6.349000 0.5871000       7.292000      0.5721000     -0.9430000      0.8197000
  1 1 1      13   26   22 o    2.384000      0.6757000       2.760000 1.011000       2.009000      0.8970000      0.7506000       1.351000
  1 1 1      13   26   23 o    2.162000      0.6570000       2.593000 1.035000       1.732000      0.8102000      0.8614000       1.314000
  1 1 1      13   26   24 o    2.616000      0.7050000       2.370000 1.000000       2.862000      0.9937000     -0.4918000       1.410000
  1 1 1      13   26   25 o    4.083000      0.7104000       3.914000 1.075000       4.253000      0.9289000     -0.3397000       1.421000
  1 1 1      13   26   26 o    3.230000      0.7291000       2.689000 1.065000       3.771000      0.9965000      -1.082000       1.458000
  1 1 1      13   26   27 o    2.772000      0.7403000       2.952000 1.080000       2.592000       1.013000      0.3597000       1.481000
  1 1 1      13   27    0 o    1.988000      0.4975000       1.970000 0.7126000       2.006000      0.6946000     -0.3558000E-01  0.9951000
  1 1 1      13   27    1 o    5.600000      0.2660000       5.667000 0.3521000       5.532000      0.3988000      0.1349000      0.5320000
  1 1 1      13   27    2 o    10.69000      0.2187000       10.85000 0.2974000       10.54000      0.3206000      0.3164000      0.4373000
  1 1 1      13   27    3 o    8.487000      0.2434000       8.899000 0.3123000       8.074000      0.3735000      0.8248000      0.4868000
  1 1 1      13   27    4 o    1.668000      0.4985000       1.543000 0.6486000       1.792000      0.7573000     -0.2493000      0.9971000
  1 1 1      13   27    5 o    6.697000      0.2613000       6.717000 0.3336000       6.676000      0.4022000      0.4113000E-01  0.5226000
  1 1 1      13   27    6 f    3.555000      0.4886000       4.310000 0.4569000       2.801000      0.8639000       1.509000      0.9772000
  1 1 1      13   27    7 o    2.147000      0.5434000       1.893000 0.6956000       2.401000      0.8351000     -0.5084000       1.087000
  1 1 1      13   27    8 o    1.797000      0.5347000       1.592000 0.6729000       2.003000      0.8313000     -0.4113000       1.069000
  1 1 1      13   27    9 o    2.366000      0.5817000       2.422000 0.7794000       2.309000      0.8638000      0.1126000       1.163000
  1 1 1      13   27   10 o    9.397000      0.2881000       8.928000 0.3818000       9.866000      0.4317000     -0.9381000      0.5763000
  1 1 1      13   27   11 o    1.809000      0.5281000       1.555000 0.7061000       2.063000      0.7854000     -0.5079000       1.056000
  1 1 1      13   27   12 o    4.807000      0.3952000       4.897000 0.5537000       4.718000      0.5640000      0.1790000      0.7904000
  1 1 1      13   27   13 f    6.548000      0.3804000       7.060000 0.4819000       6.037000      0.5888000       1.023000      0.7609000
  1 1 1      13   27   14 o    2.672000      0.6615000       2.566000 0.9441000       2.778000      0.9268000     -0.2113000       1.323000
  1 1 1      13   27   15 o    5.923000      0.4579000       6.466000 0.6625000       5.381000      0.6324000       1.086000      0.9158000
  1 1 1      13   27   16 o    3.464000      0.6233000       4.288000 0.8102000       2.639000      0.9474000       1.649000       1.247000
  1 1 1      13   27   17 o    2.237000      0.6194000       2.599000 0.9183000       1.874000      0.8316000      0.7254000       1.239000
  1 1 1      13   27   18 o    3.317000      0.6317000       2.176000 0.9047000       4.458000      0.8818000      -2.282000       1.263000
  1 1 1      13   27   19 o    2.191000      0.6770000       2.276000 0.9620000       2.105000      0.9529000      0.1712000       1.354000
  1 1 1      13   27   20 o    3.228000      0.7146000       2.837000 0.9997000       3.618000       1.021000     -0.7807000       1.429000
  1 1 1      13   27   21 f    3.588000      0.7154000       4.066000 0.9872000       3.111000       1.036000      0.9555000       1.431000
  1 1 1      13   27   22 o    2.938000      0.7321000       2.819000 1.048000       3.057000       1.023000     -0.2383000       1.464000
  1 1 1      13   27   23 o    2.221000      0.6767000       2.578000 1.055000       1.864000      0.8482000      0.7142000       1.353000
  1 1 1      13   27   24 o    2.981000      0.7514000       3.387000 1.124000       2.576000      0.9978000      0.8111000       1.503000
  1 1 1      13   27   25 o    2.873000      0.5954000       1.853000 0.8600000       3.892000      0.8236000      -2.039000       1.191000
  1 1 1      13   27   26 o    3.839000       1.044000       3.090000 1.402000       4.589000       1.547000      -1.499000       2.088000
  1 1 1      13   28    0 o    9.080000      0.2231000       9.069000 0.3066000       9.090000      0.3243000     -0.2122000E-01  0.4462000
  1 1 1      13   28    1 o    3.476000      0.4290000       2.931000 0.6563000       4.022000      0.5528000      -1.091000      0.8581000
  1 1 1      13   28    2 o    6.400000      0.2739000       6.054000 0.3777000       6.745000      0.3967000     -0.6907000      0.5478000
  1 1 1      13   28    3 o    6.176000      0.2953000       6.447000 0.3576000       5.906000      0.4701000      0.5412000      0.5906000
  1 1 1      13   28    4 o    1.613000      0.4834000       1.711000 0.6734000       1.514000      0.6936000      0.1977000      0.9668000
  1 1 1      13   28    5 f    8.164000      0.2567000       7.948000 0.3375000       8.380000      0.3868000     -0.4320000      0.5133000
  1 1 1      13   28    6 o    6.329000      0.3249000       6.503000 0.3722000       6.155000      0.5327000      0.3483000      0.6498000
  1 1 1      13   28    7 o    3.884000      0.4817000       3.288000 0.6601000       4.480000      0.7018000      -1.192000      0.9634000
  1 1 1      13   28    8 o    5.878000      0.3178000       5.987000 0.3851000       5.769000      0.5056000      0.2172000      0.6356000
  1 1 1      13   28    9 o    7.061000      0.3264000       7.585000 0.3908000       6.536000      0.5229000       1.050000      0.6528000
  1 1 1      13   28   10 o    4.809000      0.4180000       4.853000 0.5700000       4.766000      0.6116000      0.8704000E-01  0.8361000
  1 1 1      13   28   11 o    1.968000      0.5672000       1.552000 0.7156000       2.384000      0.8803000     -0.8316000       1.134000
  1 1 1      13   28   12 o    5.413000      0.4207000       5.035000 0.5902000       5.791000      0.5997000     -0.7559000      0.8414000
  1 1 1      13   28   13 o    5.204000      0.4495000       5.184000 0.6547000       5.224000      0.6162000     -0.4062000E-01  0.8990000
  1 1 1      13   28   14 o    2.510000      0.6586000       2.422000 0.9146000       2.598000      0.9478000     -0.1758000       1.317000
  1 1 1      13   28   15 o    3.392000      0.6370000       4.004000 0.8320000       2.779000      0.9649000       1.225000       1.274000
  1 1 1      13   28   16 o    4.599000      0.5509000       4.658000 0.7522000       4.540000      0.8050000      0.1176000       1.102000
  1 1 1      13   28   17 f    2.799000      0.6843000       3.042000 0.9404000       2.556000      0.9944000      0.4859000       1.369000
  1 1 1      13   28   18 o    2.568000      0.7266000       2.277000 0.9614000       2.860000       1.090000     -0.5834000       1.453000
  1 1 1      13   28   19 o    3.641000      0.8234000       2.647000 1.020000       4.636000       1.293000      -1.989000       1.647000
  1 1 1      13   28   20 o    2.584000      0.8216000       2.388000 1.106000       2.780000       1.215000     -0.3923000       1.643000
  1 1 1      13   28   21 o    3.335000      0.9202000       3.419000 1.304000       3.250000       1.299000      0.1692000       1.840000
  1 1 1      13   28   22 o    4.035000      0.9625000       4.058000 1.356000       4.013000       1.367000      0.4495000E-01   1.925000
  1 1 1      13   28   23 o    3.589000      0.9855000       4.193000 1.494000       2.985000       1.286000       1.209000       1.971000
  1 1 1      13   28   24 o    2.391000      0.6867000       2.969000 1.070000       1.814000      0.8610000       1.155000       1.373000
  1 1 1      13   28   25 o    2.403000      0.6826000       1.764000 0.8453000       3.041000       1.072000      -1.277000       1.365000
  1 1 1      13   29    0 o    4.955000      0.3869000       4.700000 0.6495000       5.209000      0.4206000     -0.5090000      0.7737000
  1 1 1      13   29    1 o    3.879000      0.5952000       4.223000 0.6256000       3.535000       1.013000      0.6875000       1.190000
  1 1 1      13   29    2 o    3.440000      0.6300000       3.881000 0.7318000       2.999000       1.026000      0.8817000       1.260000
  1 1 1      13   29    3 o    3.628000      0.5978000       4.249000 0.6244000       3.007000       1.020000       1.242000       1.196000
  1 1 1      13   29    4 o    2.151000      0.6011000       2.085000 0.7749000       2.218000      0.9190000     -0.1331000       1.202000
  1 1 1      13   29    5 o    6.416000      0.3343000       6.291000 0.4237000       6.541000      0.5171000     -0.2503000      0.6686000
  1 1 1      13   29    6 o    3.775000      0.5260000       4.429000 0.5555000       3.121000      0.8933000       1.308000       1.052000
  1 1 1      13   29    7 o    5.563000      0.3952000       4.885000 0.5248000       6.240000      0.5911000      -1.355000      0.7904000
  1 1 1      13   29    8 o    3.147000      0.5897000       3.588000 0.6922000       2.707000      0.9548000      0.8804000       1.179000
  1 1 1      13   29    9 o    3.310000      0.7862000       3.310000 0.7862000                  ?              ?              ?              ?
  1 1 1      13   29   10 o    4.075000      0.5362000       4.486000 0.5952000       3.663000      0.8919000      0.8228000       1.072000
  1 1 1      13   29   11 o    3.648000      0.9278000                  ?       ?   3.648000      0.9278000                  ?              ?
  1 1 1      13   29   12 o    2.181000      0.6198000       2.370000 0.8806000       1.993000      0.8725000      0.3769000       1.240000
  1 1 1      13   29   13 o    2.884000      0.6944000       2.912000 0.9545000       2.857000       1.009000      0.5456000E-01   1.389000
  1 1 1      13   29   14 o    2.926000      0.6706000       3.619000 0.9522000       2.234000      0.9445000       1.385000       1.341000
  1 1 1      13   29   16 o    3.608000      0.7282000       4.253000 0.9616000       2.963000       1.094000       1.290000       1.456000
  1 1 1      13   29   17 o    4.820000      0.5943000       5.457000 0.6795000       4.183000      0.9752000       1.274000       1.189000
  1 1 1      13   29   18 o    3.347000      0.7849000       3.271000 1.094000       3.423000       1.126000     -0.1521000       1.570000
  1 1 1      13   29   19 f    2.643000      0.7210000       3.231000 1.104000       2.056000      0.9276000       1.175000       1.442000
  1 1 1      13   29   20 o    2.397000      0.6950000       2.611000 1.008000       2.182000      0.9570000      0.4287000       1.390000
  1 1 1      13   29   21 o    2.877000      0.7230000       2.137000 0.9592000       3.618000       1.082000      -1.481000       1.446000
  1 1 1      13   29   22 o    2.101000      0.6719000       2.315000 1.013000       1.888000      0.8830000      0.4270000       1.344000
  1 1 1      13   29   23 o    1.908000      0.6291000       1.982000 0.9178000       1.834000      0.8606000      0.1477000       1.258000
  1 1 1      13   29   24 o    2.993000      0.8214000       2.774000 1.164000       3.213000       1.159000     -0.4396000       1.643000
  1 1 1      13   30    0 o    15.53000      0.3666000       15.76000 0.5176000       15.29000      0.5192000      0.4638000      0.7331000
  1 1 1      13   30    1 o    3.656000      0.4743000       3.972000 0.4713000       3.341000      0.8232000      0.6310000      0.9486000
  1 1 1      13   30    2 o    1.641000      0.5102000       1.767000 0.7393000       1.516000      0.7034000      0.2509000       1.020000
  1 1 1      13   30    3 o    4.988000      0.4055000       5.447000 0.4391000       4.530000      0.6819000      0.9167000      0.8110000
  1 1 1      13   30    4 f    1.483000      0.4907000       1.518000 0.6855000       1.448000      0.7024000      0.7014000E-01  0.9815000
  1 1 1      13   30    5 o    5.174000      0.4157000       5.248000 0.4939000       5.099000      0.6688000      0.1491000      0.8314000
  1 1 1      13   30    6 o    2.059000      0.5672000       2.339000 0.7932000       1.780000      0.8111000      0.5593000       1.134000
  1 1 1      13   30    7 o    9.174000      0.3069000       8.644000 0.3808000       9.704000      0.4814000      -1.060000      0.6138000
  1 1 1      13   30    8 o    6.464000      0.3608000       6.299000 0.4581000       6.629000      0.5576000     -0.3305000      0.7216000
  1 1 1      13   30    9 o    2.131000      0.8492000       2.131000 0.8492000                  ?              ?              ?              ?
  1 1 1      13   30   10 o    4.428000      0.7271000       5.624000 0.5648000       3.232000       1.340000       2.392000       1.454000
  1 1 1      13   30   11 o    5.657000      0.5933000                  ?       ?   5.657000      0.5933000                  ?              ?
  1 1 1      13   30   12 o    4.674000      0.5438000       5.108000 0.7399000       4.239000      0.7972000      0.8694000       1.088000
  1 1 1      13   30   13 o    2.070000      0.6286000       2.129000 0.8924000       2.010000      0.8856000      0.1186000       1.257000
  1 1 1      13   30   14 o    3.291000      0.6375000       4.051000 0.8027000       2.531000      0.9906000       1.520000       1.275000
  1 1 1      13   30   15 o    4.091000      0.8421000       4.547000 1.411000       3.635000      0.9202000      0.9125000       1.684000
  1 1 1      13   30   16 o    3.666000      0.9475000       4.336000 1.362000       2.997000       1.318000       1.340000       1.895000
  1 1 1      13   30   17 o    3.989000      0.9405000       3.980000 1.303000       3.997000       1.356000     -0.1725000E-01   1.881000
  1 1 1      13   30   18 o    2.849000      0.8634000       2.331000 1.098000       3.367000       1.333000      -1.037000       1.727000
  1 1 1      13   30   19 o    4.091000      0.9528000       3.630000 1.319000       4.552000       1.375000     -0.9217000       1.906000
  1 1 1      13   30   20 o    1.907000      0.6492000       1.972000 0.9420000       1.842000      0.8936000      0.1303000       1.298000
  1 1 1      13   30   21 o    3.144000      0.8608000       3.166000 1.250000       3.123000       1.183000      0.4330000E-01   1.722000
  1 1 1      13   30   22 o    1.952000      0.6263000       1.411000 0.7046000       2.493000       1.036000      -1.082000       1.253000
  1 1 1      13   30   23 o    2.544000       1.192000                  ?       ?   2.544000       1.192000                  ?              ?
  1 1 1      13   31    0 o    4.801000      0.4290000       5.069000 0.4770000       4.533000      0.7133000      0.5358000      0.8581000
  1 1 1      13   31    1 o    2.398000      0.5829000       2.709000 0.7746000       2.086000      0.8712000      0.6229000       1.166000
  1 1 1      13   31    2 o    2.071000      0.5666000       2.386000 0.8066000       1.756000      0.7961000      0.6294000       1.133000
  1 1 1      13   31    3 o    4.712000      0.4800000       5.571000 0.4939000       3.853000      0.8233000       1.718000      0.9600000
  1 1 1      13   31    4 o    2.094000      0.6117000       1.983000 0.8196000       2.205000      0.9083000     -0.2227000       1.223000
  1 1 1      13   31    5 o    4.070000      0.5175000       3.655000 0.7538000       4.486000      0.7093000     -0.8318000       1.035000
  1 1 1      13   31    6 o    2.804000      0.6190000       3.514000 0.7438000       2.095000      0.9897000       1.418000       1.238000
  1 1 1      13   31    7 o    2.694000      0.6155000       3.376000 0.7518000       2.012000      0.9748000       1.364000       1.231000
  1 1 1      13   31    8 o    1.633000      0.5163000       1.521000 0.7089000       1.744000      0.7509000     -0.2230000       1.033000
  1 1 1      13   31    9 o    2.620000      0.6016000       2.363000 0.8916000       2.876000      0.8080000     -0.5127000       1.203000
  1 1 1      13   31   10 o    5.273000      0.4501000       5.542000 0.6089000       5.005000      0.6631000      0.5367000      0.9003000
  1 1 1      13   31   11 o    4.320000      0.8301000                  ?       ?   4.320000      0.8301000                  ?              ?
  1 1 1      13   31   12 f    3.902000      0.6699000       3.911000 0.9304000       3.893000      0.9640000      0.1765000E-01   1.340000
  1 1 1      13   31   13 o    3.932000      0.6985000       3.744000 0.9447000       4.121000       1.029000     -0.3772000       1.397000
  1 1 1      13   31   14 o    2.632000      0.7348000       2.671000 1.009000       2.593000       1.068000      0.7796000E-01   1.470000
  1 1 1      13   31   15 o    2.530000      0.7331000       2.351000 0.9832000       2.709000       1.088000     -0.3586000       1.466000
  1 1 1      13   31   16 o    3.057000      0.7503000       2.405000 1.007000       3.710000       1.112000      -1.305000       1.501000
  1 1 1      13   31   17 o    3.361000      0.7579000       2.776000 1.034000       3.946000       1.108000      -1.170000       1.516000
  1 1 1      13   31   18 o    2.961000      0.7108000       3.650000 1.004000       2.272000       1.007000       1.378000       1.422000
  1 1 1      13   31   19 o    2.706000      0.7580000       3.178000 1.127000       2.234000       1.013000      0.9442000       1.516000
  1 1 1      13   31   20 o    2.238000      0.6900000       2.498000 1.033000       1.978000      0.9154000      0.5200000       1.380000
  1 1 1      13   31   21 o    2.183000      0.6715000       2.697000 1.072000       1.668000      0.8087000       1.029000       1.343000
  1 1 1      13   32    0 f    2.936000      0.5969000       3.225000 0.7620000       2.647000      0.9189000      0.5778000       1.194000
  1 1 1      13   32    1 o    4.118000      0.5128000       4.900000 0.5099000       3.335000      0.8898000       1.565000       1.026000
  1 1 1      13   32    2 o    2.417000      0.6159000       2.508000 0.8161000       2.326000      0.9227000      0.1825000       1.232000
  1 1 1      13   32    3 o    4.011000      0.5680000       5.220000 0.5351000       2.802000       1.002000       2.418000       1.136000
  1 1 1      13   32    4 o    3.102000      0.6636000       2.996000 0.8495000       3.209000       1.020000     -0.2132000       1.327000
  1 1 1      13   32    5 o    2.538000      0.5538000       3.401000 0.7875000       1.674000      0.7789000       1.728000       1.108000
  1 1 1      13   32    6 o    4.625000      0.5271000       5.144000 0.5631000       4.106000      0.8911000       1.037000       1.054000
  1 1 1      13   32    7 o    2.291000      0.6648000       2.307000 0.8729000       2.275000       1.003000      0.3267000E-01   1.330000
  1 1 1      13   32    8 o    3.304000      0.6294000       4.090000 0.7564000       2.519000       1.006000       1.572000       1.259000
  1 1 1      13   32    9 o    2.100000      0.6349000       1.785000 0.8084000       2.415000      0.9793000     -0.6299000       1.270000
  1 1 1      13   32   10 o    3.089000      0.7181000       3.154000 0.9692000       3.023000       1.060000      0.1309000       1.436000
  1 1 1      13   32   11 o    4.454000      0.6749000       5.041000 0.7784000       3.866000       1.103000       1.174000       1.350000
  1 1 1      13   32   12 o    4.698000      0.6406000       4.271000 0.9176000       5.125000      0.8940000     -0.8541000       1.281000
  1 1 1      13   32   13 o    3.039000      0.7623000       3.393000 1.063000       2.685000       1.093000      0.7072000       1.525000
  1 1 1      13   32   14 o    2.211000      0.6841000       1.545000 0.7502000       2.876000       1.144000      -1.332000       1.368000
  1 1 1      13   32   15 o    3.552000      0.7947000       3.648000 1.084000       3.456000       1.162000      0.1911000       1.589000
  1 1 1      13   32   16 o    2.510000      0.7303000       2.257000 0.9819000       2.763000       1.081000     -0.5056000       1.461000
  1 1 1      13   32   17 o    2.780000      0.7431000       3.054000 1.077000       2.506000       1.025000      0.5478000       1.486000
  1 1 1      13   32   18 o    2.442000      0.7213000       1.901000 0.8848000       2.984000       1.139000      -1.083000       1.443000
  1 1 1      13   32   19 o    2.348000      0.7387000       2.263000 1.012000       2.433000       1.076000     -0.1696000       1.477000
  1 1 1      13   33    0 o    4.106000      0.5779000       4.396000 0.7177000       3.817000      0.9060000      0.5789000       1.156000
  1 1 1      13   33    1 o    4.766000      0.5066000       4.734000 0.6754000       4.798000      0.7554000     -0.6436000E-01   1.013000
  1 1 1      13   33    2 o    4.659000      0.5580000       4.211000 0.8099000       5.107000      0.7679000     -0.8958000       1.116000
  1 1 1      13   33    3 o    3.954000      0.6067000       2.738000 0.9206000       5.170000      0.7904000      -2.432000       1.213000
  1 1 1      13   33    4 o    2.228000      0.6538000       1.910000 0.8322000       2.546000       1.009000     -0.6359000       1.308000
  1 1 1      13   33    5 o    2.896000      0.6840000       2.289000 0.9052000       3.503000       1.026000      -1.214000       1.368000
  1 1 1      13   33    6 o    3.196000      0.7110000       3.241000 0.9299000       3.151000       1.076000      0.9033000E-01   1.422000
  1 1 1      13   33    7 o    3.183000      0.7335000       2.848000 0.9783000       3.518000       1.093000     -0.6701000       1.467000
  1 1 1      13   33    8 o    2.245000      0.6604000       1.651000 0.7727000       2.840000       1.071000      -1.189000       1.321000
  1 1 1      13   33    9 o    2.525000      0.6538000       3.113000 0.9521000       1.937000      0.8961000       1.176000       1.308000
  1 1 1      13   33   10 o    2.377000      0.6845000       2.639000 0.9755000       2.116000      0.9606000      0.5223000       1.369000
  1 1 1      13   33   11 o    4.073000      0.7556000       4.201000 1.005000       3.945000       1.129000      0.2560000       1.511000
  1 1 1      13   33   12 o    2.667000      0.7342000       2.989000 1.065000       2.345000       1.010000      0.6440000       1.468000
  1 1 1      13   33   13 o    2.993000      0.7522000       3.363000 1.021000       2.622000       1.105000      0.7410000       1.504000
  1 1 1      13   33   14 o    2.641000      0.7564000       2.329000 0.9723000       2.954000       1.159000     -0.6254000       1.513000
  1 1 1      13   33   15 o    3.301000      0.8234000       3.079000 1.105000       3.523000       1.221000     -0.4443000       1.647000
  1 1 1      13   33   16 o    2.326000      0.7023000       2.263000 0.9859000       2.388000       1.000000     -0.1256000       1.405000
  1 1 1      13   33   17 f    2.020000      0.6547000       2.012000 0.9080000       2.028000      0.9434000     -0.1622000E-01   1.309000
  1 1 1      13   33   18 o    2.620000       1.199000                  ?       ?   2.620000       1.199000                  ?              ?
  1 1 1      13   34    0 o    3.379000      0.6745000       3.129000 0.9244000       3.628000      0.9826000     -0.4993000       1.349000
  1 1 1      13   34    1 o    2.465000      0.6901000       2.490000 0.9436000       2.441000       1.007000      0.4813000E-01   1.380000
  1 1 1      13   34    2 o    2.370000      0.6860000       2.308000 0.9329000       2.432000       1.006000     -0.1234000       1.372000
  1 1 1      13   34    3 o    2.251000      0.6651000       2.301000 0.9261000       2.202000      0.9550000      0.9984000E-01   1.330000
  1 1 1      13   34    4 o    1.724000      0.5695000       1.821000 0.8237000       1.626000      0.7867000      0.1946000       1.139000
  1 1 1      13   34    5 o    4.263000      0.6595000       4.451000 0.7787000       4.074000       1.065000      0.3771000       1.319000
  1 1 1      13   34    6 o    2.588000      0.7381000       2.672000 1.015000       2.505000       1.072000      0.1668000       1.476000
  1 1 1      13   34    7 o    1.897000      0.6287000       1.494000 0.7313000       2.301000       1.023000     -0.8067000       1.257000
  1 1 1      13   34    8 o    2.714000      0.7531000       2.393000 0.9932000       3.036000       1.132000     -0.6426000       1.506000
  1 1 1      13   34    9 o    2.238000      0.6868000       2.345000 0.9823000       2.130000      0.9600000      0.2148000       1.374000
  1 1 1      13   34   10 o    2.678000       1.006000       2.678000 1.006000                  ?              ?              ?              ?
  1 1 1      13   34   11 o    2.440000      0.7217000       2.391000 0.9894000       2.489000       1.051000     -0.9778000E-01   1.443000
  1 1 1      13   34   12 o    3.065000      0.7800000       3.010000 1.070000       3.120000       1.135000     -0.1092000       1.560000
  1 1 1      13   34   13 o    3.837000      0.7499000       4.047000 0.9785000       3.626000       1.137000      0.4211000       1.500000
  1 1 1      13   34   14 o    2.414000      0.7302000       2.318000 0.9647000       2.510000       1.096000     -0.1922000       1.460000
  1 1 1      13   34   15 o    2.395000      0.7279000       1.949000 0.9073000       2.841000       1.138000     -0.8916000       1.456000
  1 1 1      13   35    0 f    2.672000      0.7185000       2.835000 1.012000       2.508000       1.021000      0.3265000       1.437000
  1 1 1      13   35    1 o    2.355000      0.7149000       2.219000 0.9629000       2.491000       1.057000     -0.2721000       1.430000
  1 1 1      13   35    2 o    2.321000      0.7083000       2.298000 0.9758000       2.343000       1.027000     -0.4598000E-01   1.417000
  1 1 1      13   35    3 o    2.633000      0.7449000       2.595000 1.018000       2.671000       1.088000     -0.7656000E-01   1.490000
  1 1 1      13   35    4 o    2.270000      0.6926000       1.931000 0.8874000       2.609000       1.064000     -0.6782000       1.385000
  1 1 1      13   35    5 o    3.095000      0.7577000       2.542000 1.019000       3.648000       1.121000      -1.106000       1.515000
  1 1 1      13   35    6 o    2.174000      0.6802000       2.261000 0.9651000       2.087000      0.9587000      0.1743000       1.360000
  1 1 1      13   35    7 o    2.466000      0.7326000       2.381000 0.9742000       2.551000       1.094000     -0.1704000       1.465000
  1 1 1      13   35    8 o    3.226000      0.7838000       2.409000 1.000000       4.043000       1.207000      -1.634000       1.568000
  1 1 1      13   35    9 o    2.994000      0.7822000       3.145000 1.060000       2.843000       1.150000      0.3023000       1.564000
  1 1 1      13   35   10 o    2.636000       1.041000       2.636000 1.041000                  ?              ?              ?              ?
  1 1 1      13   35   11 o    2.599000      0.7378000       1.952000 0.8955000       3.245000       1.173000      -1.293000       1.476000
  1 1 1      13   35   12 o    2.071000      0.9636000                  ?       ?   2.071000      0.9636000                  ?              ?
  1 1 1      13   35   13 o    2.888000      0.7738000       2.696000 1.048000       3.080000       1.139000     -0.3840000       1.548000
  1 1 1      13   36    0 o    3.034000      0.7141000       1.865000 0.8718000       4.202000       1.131000      -2.337000       1.428000
  1 1 1      13   36    1 o    3.514000      0.7469000       4.318000 0.9920000       2.710000       1.117000       1.609000       1.494000
  1 1 1      13   36    2 o    2.390000      0.7127000       2.506000 1.011000       2.274000       1.005000      0.2319000       1.425000
  1 1 1      13   36    3 o    2.390000      0.7133000       2.347000 0.9839000       2.432000       1.033000     -0.8511000E-01   1.427000
  1 1 1      13   36    4 o    2.512000      0.7377000       2.777000 1.077000       2.248000       1.008000      0.5288000       1.475000
  1 1 1      13   36    5 o    2.319000      0.7280000       2.231000 0.9830000       2.408000       1.074000     -0.1766000       1.456000
  1 1 1      13   36    6 o    2.710000      0.7877000       2.705000 1.078000       2.716000       1.149000     -0.1115000E-01   1.575000
  1 1 1      13   36    7 o    2.444000      0.7328000       2.443000 1.007000       2.444000       1.064000     -0.1503000E-02   1.466000
  1 1 1      13   36    8 o    2.646000      0.7590000       2.789000 1.054000       2.504000       1.092000      0.2846000       1.518000
  1 1 1      13   36    9 o    2.487000      0.7463000       2.607000 1.046000       2.366000       1.065000      0.2407000       1.493000
  1 1 1      13   37    0 o    2.333000      0.7173000       2.451000 1.026000       2.216000       1.003000      0.2344000       1.435000
  1 1 1      13   37    1 o    2.546000      0.7530000       2.011000 0.9315000       3.080000       1.183000      -1.069000       1.506000
  1 1 1      13   37    2 o    2.194000      0.7002000       1.857000 0.8782000       2.531000       1.091000     -0.6745000       1.400000
  1 1 1      13   37    3 o    3.005000      0.9186000       3.612000 1.443000       2.398000       1.137000       1.214000       1.837000
  1 1 1      14  -25    0 o    4.496000       1.191000                  ?       ?   4.496000       1.191000                  ?              ?
  1 1 1      14  -24    0 o    3.234000      0.7591000       3.443000 1.052000       3.025000       1.095000      0.4176000       1.518000
  1 1 1      14  -24    1 o    3.840000      0.7060000       4.378000 0.8824000       3.303000       1.102000       1.075000       1.412000
  1 1 1      14  -24    2 o    4.486000      0.6641000       5.148000 0.8076000       3.824000       1.055000       1.324000       1.328000
  1 1 1      14  -24    3 o    2.910000      0.6730000       3.756000 0.9831000       2.064000      0.9193000       1.692000       1.346000
  1 1 1      14  -24    4 o    2.487000      0.7292000       2.261000 0.9599000       2.713000       1.098000     -0.4523000       1.458000
  1 1 1      14  -24    5 o    2.614000      0.7450000       2.719000 1.072000       2.509000       1.035000      0.2102000       1.490000
  1 1 1      14  -24    6 o    2.963000      0.7356000       2.183000 0.9577000       3.744000       1.117000      -1.562000       1.471000
  1 1 1      14  -24    7 o    3.039000      0.7660000       3.661000 1.123000       2.417000       1.042000       1.244000       1.532000
  1 1 1      14  -24    8 o    2.740000      0.7459000       2.270000 0.9851000       3.211000       1.120000     -0.9411000       1.492000
  1 1 1      14  -23    0 o    2.923000      0.7282000       2.951000 0.9951000       2.896000       1.064000      0.5557000E-01   1.456000
  1 1 1      14  -23    1 o    2.222000      0.6390000       1.571000 0.7450000       2.872000       1.038000      -1.302000       1.278000
  1 1 1      14  -23    2 o    1.918000      0.6109000       2.064000 0.8854000       1.773000      0.8419000      0.2909000       1.222000
  1 1 1      14  -23    3 o    2.258000      0.6859000       2.095000 0.9238000       2.421000       1.014000     -0.3260000       1.372000
  1 1 1      14  -23    4 o    2.913000      0.6684000       3.625000 0.9280000       2.200000      0.9622000       1.425000       1.337000
  1 1 1      14  -23    5 o    2.312000      0.6861000       2.447000 0.9834000       2.177000      0.9572000      0.2698000       1.372000
  1 1 1      14  -23    6 o    3.539000      0.7149000       2.809000 1.048000       4.270000      0.9732000      -1.460000       1.430000
  1 1 1      14  -23    7 o    2.681000      0.7318000       2.726000 1.018000       2.636000       1.052000      0.8999000E-01   1.464000
  1 1 1      14  -23    8 o    4.553000      0.6679000       3.798000 1.017000       5.308000      0.8658000      -1.510000       1.336000
  1 1 1      14  -23    9 o    3.532000      0.8247000       3.259000 1.123000       3.806000       1.208000     -0.5467000       1.649000
  1 1 1      14  -23   10 o    2.444000      0.7467000       2.221000 0.9911000       2.668000       1.117000     -0.4465000       1.493000
  1 1 1      14  -23   11 o    2.674000      0.7833000       2.688000 1.101000       2.660000       1.114000      0.2782000E-01   1.567000
  1 1 1      14  -23   12 o    2.264000      0.9827000                  ?       ?   2.264000      0.9827000                  ?              ?
  1 1 1      14  -22    0 o    2.200000      0.6493000       2.424000 0.9406000       1.975000      0.8953000      0.4494000       1.299000
  1 1 1      14  -22    1 o    3.284000      0.6880000       2.657000 0.9686000       3.911000      0.9773000      -1.254000       1.376000
  1 1 1      14  -22    2 o    2.084000      0.6447000       1.784000 0.8085000       2.385000       1.005000     -0.6003000       1.289000
  1 1 1      14  -22    3 o    2.912000      0.7002000       3.296000 0.9785000       2.528000       1.002000      0.7684000       1.400000
  1 1 1      14  -22    4 o    5.704000      0.4799000       5.924000 0.6296000       5.484000      0.7245000      0.4391000      0.9598000
  1 1 1      14  -22    5 o    5.795000      0.5650000       5.724000 0.7000000       5.865000      0.8870000     -0.1417000       1.130000
  1 1 1      14  -22    6 o    3.263000      0.7803000       3.359000 1.039000       3.166000       1.164000      0.1922000       1.561000
  1 1 1      14  -22    7 o    1.796000      0.6035000       1.557000 0.7591000       2.034000      0.9383000     -0.4769000       1.207000
  1 1 1      14  -22    8 o    2.005000      0.6324000       1.839000 0.8366000       2.171000      0.9487000     -0.3322000       1.265000
  1 1 1      14  -22    9 o    2.489000      0.7032000       2.545000 0.9840000       2.434000       1.005000      0.1109000       1.406000
  1 1 1      14  -22   10 o    2.482000      0.7152000       2.125000 0.9411000       2.838000       1.077000     -0.7129000       1.430000
  1 1 1      14  -22   11 o    2.232000      0.6694000       2.381000 1.006000       2.083000      0.8835000      0.2984000       1.339000
  1 1 1      14  -22   12 o    3.089000      0.9656000       3.640000 1.504000       2.539000       1.211000       1.100000       1.931000
  1 1 1      14  -22   13 o    4.227000       1.030000       5.035000 1.490000       3.419000       1.423000       1.616000       2.061000
  1 1 1      14  -22   14 o    2.793000      0.8378000       2.495000 1.140000       3.090000       1.228000     -0.5958000       1.676000
  1 1 1      14  -22   15 o    3.624000      0.8939000       3.199000 1.263000       4.048000       1.265000     -0.8489000       1.788000
  1 1 1      14  -21    0 f    4.816000      0.5900000       4.389000 0.8874000       5.242000      0.7777000     -0.8537000       1.180000
  1 1 1      14  -21    1 o    5.395000      0.5868000       5.726000 0.7061000       5.063000      0.9373000      0.6631000       1.174000
  1 1 1      14  -21    2 o    3.806000      0.7268000       3.618000 0.9028000       3.994000       1.139000     -0.3758000       1.454000
  1 1 1      14  -21    3 o    2.877000      0.7416000       2.332000 0.9402000       3.421000       1.147000      -1.089000       1.483000
  1 1 1      14  -21    4 o    2.019000      0.6118000       2.370000 0.9230000       1.667000      0.8035000      0.7028000       1.224000
  1 1 1      14  -21    5 o    2.292000      0.6329000       1.600000 0.7537000       2.985000       1.017000      -1.385000       1.266000
  1 1 1      14  -21    6 o    2.589000      0.6842000       2.807000 0.9350000       2.370000      0.9992000      0.4373000       1.368000
  1 1 1      14  -21    7 o    3.856000       1.059000       3.711000 1.502000       4.001000       1.494000     -0.2904000       2.118000
  1 1 1      14  -21    8 o    2.731000      0.9006000       2.765000 1.294000       2.697000       1.253000      0.6813000E-01   1.801000
  1 1 1      14  -21    9 o    4.595000       1.063000       5.594000 1.567000       3.596000       1.436000       1.998000       2.125000
  1 1 1      14  -21   10 o    1.975000      0.6251000       2.110000 0.8899000       1.841000      0.8781000      0.2694000       1.250000
  1 1 1      14  -21   11 o    2.543000      0.6622000       3.287000 1.016000       1.798000      0.8502000       1.489000       1.324000
  1 1 1      14  -21   12 o    2.965000      0.7430000       2.890000 1.029000       3.040000       1.072000     -0.1494000       1.486000
  1 1 1      14  -21   13 o    2.832000      0.7351000       3.047000 1.046000       2.616000       1.033000      0.4311000       1.470000
  1 1 1      14  -21   14 o    2.285000      0.6705000       2.743000 1.035000       1.827000      0.8532000      0.9163000       1.341000
  1 1 1      14  -21   15 o    3.431000      0.6900000       3.931000 0.9417000       2.932000       1.009000      0.9994000       1.380000
  1 1 1      14  -21   16 o    4.013000      0.6574000       4.657000 0.8626000       3.369000      0.9923000       1.288000       1.315000
  1 1 1      14  -21   17 o    3.161000      0.7227000       4.557000 1.189000       1.765000      0.8217000       2.791000       1.445000
  1 1 1      14  -20    0 o    6.766000      0.3667000       6.596000 0.4920000       6.936000      0.5440000     -0.3401000      0.7335000
  1 1 1      14  -20    1 o    4.366000      0.5168000       4.115000 0.7229000       4.616000      0.7386000     -0.5005000       1.034000
  1 1 1      14  -20    2 o    1.833000      0.5750000       1.702000 0.7469000       1.964000      0.8743000     -0.2624000       1.150000
  1 1 1      14  -20    3 o    3.034000      0.8836000       2.513000 1.127000       3.556000       1.361000      -1.043000       1.767000
  1 1 1      14  -20    4 o    3.798000      0.9832000       3.526000 1.352000       4.070000       1.428000     -0.5438000       1.966000
  1 1 1      14  -20    5 o    3.401000      0.8763000       2.370000 1.092000       4.432000       1.371000      -2.062000       1.753000
  1 1 1      14  -20    6 o    2.031000      0.6174000       1.821000 0.8078000       2.241000      0.9340000     -0.4197000       1.235000
  1 1 1      14  -20    7 o    2.954000      0.6791000       3.184000 0.9122000       2.723000       1.006000      0.4604000       1.358000
  1 1 1      14  -20    8 o    2.126000      0.6223000       1.600000 0.7483000       2.652000      0.9946000      -1.051000       1.245000
  1 1 1      14  -20    9 o    4.885000      0.5410000       4.150000 0.8181000       5.621000      0.7081000      -1.470000       1.082000
  1 1 1      14  -20   10 o    4.157000      0.6025000       3.142000 0.9278000       5.172000      0.7689000      -2.031000       1.205000
  1 1 1      14  -20   11 o    2.703000      0.6812000       3.140000 0.9628000       2.266000      0.9641000      0.8743000       1.362000
  1 1 1      14  -20   12 o    3.879000      0.6693000       3.954000 0.9006000       3.804000      0.9902000      0.1498000       1.339000
  1 1 1      14  -20   13 o    2.868000      0.6798000       3.398000 0.9464000       2.338000      0.9761000       1.060000       1.360000
  1 1 1      14  -20   14 f    4.912000      0.6557000       5.734000 0.7582000       4.090000       1.070000       1.644000       1.311000
  1 1 1      14  -20   15 o    3.483000      0.6792000       3.789000 0.9541000       3.178000      0.9668000      0.6108000       1.358000
  1 1 1      14  -20   16 o    1.962000      0.6125000       1.794000 0.8317000       2.130000      0.8994000     -0.3362000       1.225000
  1 1 1      14  -20   17 o    2.575000      0.6547000       3.220000 0.9889000       1.930000      0.8581000       1.290000       1.309000
  1 1 1      14  -20   18 o    3.293000      0.6527000       3.107000 0.9445000       3.479000      0.9010000     -0.3715000       1.305000
  1 1 1      14  -20   19 o    4.368000      0.6606000       4.709000 1.027000       4.028000      0.8314000      0.6810000       1.321000
  1 1 1      14  -19    0 o    8.965000      0.4336000       8.760000 0.5867000       9.171000      0.6386000     -0.4108000      0.8672000
  1 1 1      14  -19    1 o    3.254000      0.7771000       3.798000 1.101000       2.709000       1.097000       1.089000       1.554000
  1 1 1      14  -19    2 o    4.709000      0.4313000       4.526000 0.5210000       4.891000      0.6874000     -0.3650000      0.8625000
  1 1 1      14  -19    3 o    3.152000      0.6184000       3.358000 0.7865000       2.945000      0.9544000      0.4128000       1.237000
  1 1 1      14  -19    4 o    3.143000      0.6136000       2.275000 0.8560000       4.011000      0.8794000      -1.737000       1.227000
  1 1 1      14  -19    5 o    4.279000      0.5511000       4.985000 0.5889000       3.573000      0.9317000       1.412000       1.102000
  1 1 1      14  -19    6 o    1.901000      0.5844000       1.676000 0.7547000       2.126000      0.8924000     -0.4498000       1.169000
  1 1 1      14  -19    7 o    2.014000      0.5825000       2.150000 0.8120000       1.877000      0.8354000      0.2739000       1.165000
  1 1 1      14  -19    8 o    4.966000      0.4548000       4.845000 0.5631000       5.087000      0.7145000     -0.2422000      0.9097000
  1 1 1      14  -19    9 o    6.488000      0.3763000       6.666000 0.4653000       6.309000      0.5916000      0.3570000      0.7527000
  1 1 1      14  -19   10 o    3.420000      0.7458000       2.542000 1.200000       4.299000      0.8855000      -1.757000       1.492000
  1 1 1      14  -19   11 o    3.328000      0.7004000       3.520000 0.9334000       3.136000       1.044000      0.3843000       1.401000
  1 1 1      14  -19   12 o    3.988000      0.6024000       4.368000 0.7495000       3.609000      0.9433000      0.7590000       1.205000
  1 1 1      14  -19   13 o    2.629000      0.6715000       2.359000 0.9155000       2.900000      0.9826000     -0.5406000       1.343000
  1 1 1      14  -19   14 o    2.405000      0.6636000       2.507000 0.9284000       2.302000      0.9484000      0.2048000       1.327000
  1 1 1      14  -19   15 o    2.038000      0.6071000       2.330000 0.9087000       1.747000      0.8052000      0.5833000       1.214000
  1 1 1      14  -19   16 o    2.374000      0.6703000       2.514000 0.9603000       2.234000      0.9355000      0.2803000       1.341000
  1 1 1      14  -19   17 o    2.420000      0.6603000       2.139000 0.9070000       2.701000      0.9599000     -0.5624000       1.321000
  1 1 1      14  -19   18 o    3.483000      0.5913000       4.525000 0.7575000       2.442000      0.9081000       2.083000       1.183000
  1 1 1      14  -19   19 o    2.954000      0.6561000       2.934000 0.9576000       2.974000      0.8973000     -0.4061000E-01   1.312000
  1 1 1      14  -19   20 o    3.898000      0.5624000       3.694000 0.8694000       4.103000      0.7137000     -0.4091000       1.125000
  1 1 1      14  -18    0 o    2.073000      0.4946000       2.853000 0.7608000       1.293000      0.6322000       1.561000      0.9892000
  1 1 1      14  -18    1 o    10.81000      0.2663000       11.08000 0.3500000       10.54000      0.4015000      0.5407000      0.5326000
  1 1 1      14  -18    2 o    2.826000      0.5201000       1.659000 0.7300000       3.992000      0.7411000      -2.333000       1.040000
  1 1 1      14  -18    3 o    4.280000      0.4505000       4.135000 0.5967000       4.426000      0.6752000     -0.2910000      0.9011000
  1 1 1      14  -18    4 o    5.059000      0.3856000       4.885000 0.5226000       5.233000      0.5671000     -0.3484000      0.7712000
  1 1 1      14  -18    5 o    2.360000      0.5935000       2.662000 0.8285000       2.058000      0.8500000      0.6035000       1.187000
  1 1 1      14  -18    6 f    7.306000      0.3205000       7.435000 0.4157000       7.178000      0.4879000      0.2568000      0.6410000
  1 1 1      14  -18    7 o    2.713000      0.6093000       2.206000 0.8158000       3.220000      0.9053000      -1.014000       1.219000
  1 1 1      14  -18    8 f    10.32000      0.3193000       9.798000 0.3979000       10.84000      0.4994000      -1.044000      0.6385000
  1 1 1      14  -18    9 o    8.495000      0.3337000       8.423000 0.4041000       8.568000      0.5312000     -0.1448000      0.6675000
  1 1 1      14  -18   10 o    3.808000      0.5319000       3.683000 0.6550000       3.934000      0.8382000     -0.2514000       1.064000
  1 1 1      14  -18   11 o    8.124000      0.3216000       8.288000 0.4115000       7.961000      0.4942000      0.3277000      0.6431000
  1 1 1      14  -18   12 o    8.190000      0.3257000       8.307000 0.4204000       8.073000      0.4977000      0.2340000      0.6515000
  1 1 1      14  -18   13 o    2.346000      0.6298000       2.191000 0.8470000       2.501000      0.9322000     -0.3101000       1.260000
  1 1 1      14  -18   14 o    2.235000      0.6200000       2.215000 0.8480000       2.256000      0.9046000     -0.4123000E-01   1.240000
  1 1 1      14  -18   15 o    2.559000      0.5984000       3.078000 0.8340000       2.040000      0.8584000       1.038000       1.197000
  1 1 1      14  -18   16 o    4.265000      0.5288000       4.092000 0.7505000       4.438000      0.7453000     -0.3463000       1.058000
  1 1 1      14  -18   17 o    3.793000      0.6171000       3.672000 0.8958000       3.915000      0.8491000     -0.2427000       1.234000
  1 1 1      14  -18   18 o    2.037000      0.5984000       1.880000 0.8290000       2.195000      0.8632000     -0.3159000       1.197000
  1 1 1      14  -18   19 o    2.276000      0.6269000       2.121000 0.8840000       2.431000      0.8891000     -0.3105000       1.254000
  1 1 1      14  -18   20 o    3.706000      0.5572000       3.605000 0.8440000       3.807000      0.7279000     -0.2017000       1.114000
  1 1 1      14  -18   21 o    3.968000      0.5489000       3.705000 0.8557000       4.231000      0.6877000     -0.5256000       1.098000
  1 1 1      14  -18   22 o    2.750000      0.6356000       3.523000 0.9604000       1.977000      0.8329000       1.546000       1.271000
  1 1 1      14  -17    0 o    10.51000      0.2396000       9.964000 0.3270000       11.06000      0.3502000      -1.099000      0.4792000
  1 1 1      14  -17    1 o    10.45000      0.2473000       10.70000 0.3356000       10.20000      0.3633000      0.5040000      0.4946000
  1 1 1      14  -17    2 o    4.369000      0.4312000       4.601000 0.5077000       4.136000      0.6971000      0.4648000      0.8624000
  1 1 1      14  -17    3 o    2.381000      0.5678000       2.149000 0.7416000       2.614000      0.8601000     -0.4654000       1.136000
  1 1 1      14  -17    4 o    1.864000      0.5364000       1.953000 0.7339000       1.775000      0.7824000      0.1778000       1.073000
  1 1 1      14  -17    5 o    5.330000      0.3841000       5.624000 0.4290000       5.036000      0.6374000      0.5877000      0.7683000
  1 1 1      14  -17    6 o    7.282000      0.3131000       7.346000 0.3868000       7.218000      0.4926000      0.1279000      0.6263000
  1 1 1      14  -17    7 o    8.212000      0.3216000       7.556000 0.3946000       8.868000      0.5079000      -1.312000      0.6432000
  1 1 1      14  -17    8 o    9.132000      0.3228000       9.083000 0.4143000       9.180000      0.4952000     -0.9618000E-01  0.6456000
  1 1 1      14  -17    9 o    6.536000      0.3544000       6.111000 0.4466000       6.961000      0.5504000     -0.8503000      0.7088000
  1 1 1      14  -17   10 o    3.789000      0.5221000       3.659000 0.6756000       3.919000      0.7963000     -0.2603000       1.044000
  1 1 1      14  -17   11 f    7.440000      0.3386000       7.559000 0.4308000       7.320000      0.5224000      0.2391000      0.6771000
  1 1 1      14  -17   12 o    3.604000      0.5611000       4.468000 0.6564000       2.739000      0.9103000       1.729000       1.122000
  1 1 1      14  -17   13 o    4.673000      0.5292000       4.675000 0.6315000       4.670000      0.8494000      0.5517000E-02   1.058000
  1 1 1      14  -17   14 o    4.216000      0.5531000       5.187000 0.5557000       3.245000      0.9565000       1.942000       1.106000
  1 1 1      14  -17   15 o    3.024000      0.6270000       3.051000 0.8381000       2.998000      0.9329000      0.5309000E-01   1.254000
  1 1 1      14  -17   16 o    2.742000      0.6421000       2.799000 0.9146000       2.685000      0.9014000      0.1137000       1.284000
  1 1 1      14  -17   17 o    5.665000      0.4013000       6.063000 0.5384000       5.267000      0.5953000      0.7966000      0.8026000
  1 1 1      14  -17   18 o    2.612000      0.6075000       2.115000 0.8520000       3.109000      0.8663000     -0.9936000       1.215000
  1 1 1      14  -17   19 o    2.925000      0.6323000       3.000000 0.9097000       2.849000      0.8784000      0.1518000       1.265000
  1 1 1      14  -17   20 o    3.011000      0.6080000       3.288000 0.8588000       2.734000      0.8609000      0.5545000       1.216000
  1 1 1      14  -17   21 o    1.821000      0.5612000       2.057000 0.8539000       1.585000      0.7286000      0.4721000       1.122000
  1 1 1      14  -17   22 o    3.065000      0.6142000       3.448000 0.8749000       2.682000      0.8622000      0.7662000       1.228000
  1 1 1      14  -17   23 o    3.953000      0.5606000       3.683000 0.8977000       4.224000      0.6716000     -0.5406000       1.121000
  1 1 1      14  -16    0 o    9.941000      0.3462000                  ?       ?   9.941000      0.3462000                  ?              ?
  1 1 1      14  -16    1 o    5.573000      0.3025000       5.331000 0.4265000       5.815000      0.4292000     -0.4835000      0.6051000
  1 1 1      14  -16    2 f    6.292000      0.2970000       6.376000 0.3819000       6.208000      0.4550000      0.1680000      0.5941000
  1 1 1      14  -16    3 o    3.237000      0.5181000       3.344000 0.6620000       3.130000      0.7971000      0.2135000       1.036000
  1 1 1      14  -16    4 o    4.961000      0.3586000       5.008000 0.4530000       4.914000      0.5560000      0.9403000E-01  0.7172000
  1 1 1      14  -16    5 o    1.801000      0.5300000       1.800000 0.7295000       1.802000      0.7690000     -0.1891000E-02   1.060000
  1 1 1      14  -16    6 o    6.208000      0.3301000       5.825000 0.4410000       6.590000      0.4913000     -0.7648000      0.6602000
  1 1 1      14  -16    7 o    7.067000      0.3166000       7.342000 0.3933000       6.793000      0.4962000      0.5489000      0.6332000
  1 1 1      14  -16    8 o    7.101000      0.3149000       7.707000 0.3775000       6.495000      0.5040000       1.212000      0.6297000
  1 1 1      14  -16    9 o    4.957000      0.3977000       5.206000 0.4829000       4.709000      0.6321000      0.4965000      0.7955000
  1 1 1      14  -16   10 o    8.462000      0.3043000       8.306000 0.3842000       8.618000      0.4720000     -0.3127000      0.6086000
  1 1 1      14  -16   11 o    8.312000      0.3143000       7.956000 0.4174000       8.668000      0.4699000     -0.7115000      0.6286000
  1 1 1      14  -16   12 o    3.039000      0.6036000       3.701000 0.7689000       2.376000      0.9308000       1.325000       1.207000
  1 1 1      14  -16   13 f    4.486000      0.4500000       4.406000 0.6417000       4.567000      0.6311000     -0.1615000      0.9000000
  1 1 1      14  -16   14 o    3.909000      0.5078000       4.161000 0.6556000       3.657000      0.7756000      0.5032000       1.016000
  1 1 1      14  -16   15 o    6.429000      0.3643000       7.118000 0.4754000       5.739000      0.5522000       1.379000      0.7287000
  1 1 1      14  -16   16 o    3.516000      0.5360000       2.999000 0.8332000       4.033000      0.6747000      -1.034000       1.072000
  1 1 1      14  -16   17 o    1.754000      0.5473000       1.517000 0.7159000       1.992000      0.8280000     -0.4748000       1.095000
  1 1 1      14  -16   18 o    2.189000      0.6662000       2.360000 0.9825000       2.019000      0.9001000      0.3412000       1.332000
  1 1 1      14  -16   19 f    2.308000      0.6712000       1.796000 0.8378000       2.820000       1.049000      -1.024000       1.342000
  1 1 1      14  -16   20 o    3.089000      0.7600000       3.227000 1.075000       2.952000       1.075000      0.2746000       1.520000
  1 1 1      14  -16   21 o    2.593000      0.7629000       2.594000 1.098000       2.592000       1.059000      0.2513000E-02   1.526000
  1 1 1      14  -16   22 o    3.879000      0.8551000       3.745000 1.238000       4.013000       1.180000     -0.2676000       1.710000
  1 1 1      14  -16   23 o    2.258000      0.7290000       2.139000 1.004000       2.377000       1.058000     -0.2376000       1.458000
  1 1 1      14  -16   24 o    2.618000      0.7995000       2.706000 1.165000       2.530000       1.095000      0.1761000       1.599000
  1 1 1      14  -15    0 o    2.772000      0.4541000       2.250000 0.6188000       3.294000      0.6648000      -1.044000      0.9082000
  1 1 1      14  -15    1 o    12.81000      0.2354000       12.88000 0.3279000       12.74000      0.3379000      0.1354000      0.4708000
  1 1 1      14  -15    2 o    15.29000      0.2525000       15.31000 0.3497000       15.27000      0.3642000      0.3859000E-01  0.5049000
  1 1 1      14  -15    3 o    8.489000      0.2344000       8.916000 0.3064000       8.061000      0.3549000      0.8542000      0.4689000
  1 1 1      14  -15    4 o    4.557000      0.3798000       4.897000 0.4134000       4.216000      0.6374000      0.6806000      0.7597000
  1 1 1      14  -15    5 o    6.860000      0.2633000       6.989000 0.3324000       6.732000      0.4085000      0.2576000      0.5267000
  1 1 1      14  -15    6 o    12.85000      0.3101000       12.50000 0.4988000       13.19000      0.3685000     -0.6835000      0.6202000
  1 1 1      14  -15    7 o    6.911000      0.3002000       6.860000 0.3811000       6.961000      0.4638000     -0.1013000      0.6003000
  1 1 1      14  -15    8 f    7.966000      0.3079000       7.502000 0.3738000       8.430000      0.4894000     -0.9279000      0.6158000
  1 1 1      14  -15    9 o    2.145000      0.5686000       1.828000 0.7439000       2.463000      0.8601000     -0.6347000       1.137000
  1 1 1      14  -15   10 o    7.818000      0.2823000       8.123000 0.3754000       7.513000      0.4217000      0.6101000      0.5646000
  1 1 1      14  -15   11 o    10.53000      0.2997000       10.50000 0.4083000       10.56000      0.4389000     -0.6048000E-01  0.5995000
  1 1 1      14  -15   12 o    6.475000      0.3501000       6.549000 0.4520000       6.402000      0.5347000      0.1468000      0.7002000
  1 1 1      14  -15   13 o    6.436000      0.3567000       6.189000 0.4936000       6.683000      0.5151000     -0.4939000      0.7134000
  1 1 1      14  -15   14 o    7.550000      0.3198000       7.660000 0.4415000       7.439000      0.4629000      0.2205000      0.6397000
  1 1 1      14  -15   15 o    6.643000      0.3431000       6.228000 0.4903000       7.058000      0.4802000     -0.8302000      0.6863000
  1 1 1      14  -15   16 o    2.616000      0.6203000       2.287000 0.7968000       2.945000      0.9508000     -0.6583000       1.241000
  1 1 1      14  -15   17 o    3.889000      0.5170000       3.673000 0.8052000       4.105000      0.6489000     -0.4320000       1.034000
  1 1 1      14  -15   18 o    4.188000      0.4315000       4.040000 0.6535000       4.336000      0.5635000     -0.2964000      0.8629000
  1 1 1      14  -15   19 o    5.531000      0.3350000       5.362000 0.4891000       5.700000      0.4580000     -0.3374000      0.6701000
  1 1 1      14  -15   20 o    3.009000      0.5359000       3.028000 0.7770000       2.990000      0.7383000      0.3863000E-01   1.072000
  1 1 1      14  -15   21 o    2.401000      0.5013000       3.345000 0.7421000       1.457000      0.6743000       1.888000       1.003000
  1 1 1      14  -15   22 o    3.874000      0.5437000       3.496000 0.9073000       4.251000      0.5992000     -0.7548000       1.087000
  1 1 1      14  -15   23 o    4.625000      0.4334000       4.327000 0.6958000       4.924000      0.5170000     -0.5969000      0.8668000
  1 1 1      14  -15   24 f    2.665000      0.5971000       1.935000 0.8210000       3.395000      0.8673000      -1.460000       1.194000
  1 1 1      14  -15   25 o    5.200000      0.5320000       4.525000 0.8967000       5.875000      0.5728000      -1.350000       1.064000
  1 1 1      14  -14    0 o    8.911000      0.2252000       9.024000 0.3097000       8.798000      0.3271000      0.2261000      0.4504000
  1 1 1      14  -14    1 o    9.922000      0.2193000       9.812000 0.3022000       10.03000      0.3179000     -0.2194000      0.4386000
  1 1 1      14  -14    2 o    4.443000      0.3063000       4.397000 0.4245000       4.489000      0.4417000     -0.9198000E-01  0.6126000
  1 1 1      14  -14    3 o    3.833000      0.3530000       3.323000 0.5281000       4.344000      0.4685000      -1.020000      0.7060000
  1 1 1      14  -14    4 o    8.847000      0.2266000       8.880000 0.2998000       8.815000      0.3398000      0.6512000E-01  0.4531000
  1 1 1      14  -14    5 o    12.23000      0.2326000       12.24000 0.3171000       12.22000      0.3404000      0.1621000E-01  0.4652000
  1 1 1      14  -14    6 o    13.78000      0.2924000       13.84000 0.3319000       13.71000      0.4814000      0.1344000      0.5847000
  1 1 1      14  -14    7 o    3.578000      0.4676000       4.069000 0.5039000       3.087000      0.7877000      0.9822000      0.9351000
  1 1 1      14  -14    8 o    3.190000      0.5404000       3.435000 0.6350000       2.945000      0.8746000      0.4904000       1.081000
  1 1 1      14  -14    9 o    4.355000      0.4307000       3.980000 0.6025000       4.730000      0.6158000     -0.7498000      0.8615000
  1 1 1      14  -14   10 o    5.941000      0.3416000       5.704000 0.4550000       6.177000      0.5096000     -0.4736000      0.6831000
  1 1 1      14  -14   11 o    1.907000      0.5387000       2.048000 0.7582000       1.766000      0.7654000      0.2827000       1.077000
  1 1 1      14  -14   12 o    6.752000      0.3114000       6.956000 0.4016000       6.547000      0.4759000      0.4094000      0.6227000
  1 1 1      14  -14   13 o    12.83000      0.3141000       12.80000 0.4324000       12.86000      0.4556000     -0.6546000E-01  0.6281000
  1 1 1      14  -14   14 o    3.917000      0.4651000       4.436000 0.5703000       3.399000      0.7349000       1.037000      0.9302000
  1 1 1      14  -14   15 o    3.865000      0.6611000       4.658000 0.4428000       3.072000       1.246000       1.587000       1.322000
  1 1 1      14  -14   18 o    2.077000      0.5980000       2.222000 0.8569000       1.932000      0.8343000      0.2905000       1.196000
  1 1 1      14  -14   19 o    5.283000      0.3954000       5.801000 0.5001000       4.765000      0.6127000       1.036000      0.7909000
  1 1 1      14  -14   20 o    5.406000      0.3657000       5.839000 0.5011000       4.973000      0.5328000      0.8669000      0.7314000
  1 1 1      14  -14   21 o    5.368000      0.3384000       5.486000 0.5256000       5.249000      0.4263000      0.2365000      0.6767000
  1 1 1      14  -14   22 o    4.840000      0.3655000       5.040000 0.5370000       4.640000      0.4960000      0.3996000      0.7310000
  1 1 1      14  -14   23 o    4.368000      0.4313000       4.375000 0.6663000       4.360000      0.5480000      0.1481000E-01  0.8627000
  1 1 1      14  -14   24 o    1.653000      0.5108000       1.484000 0.7072000       1.822000      0.7373000     -0.3381000       1.022000
  1 1 1      14  -14   25 o    4.915000      0.4191000       4.811000 0.6852000       5.019000      0.4829000     -0.2076000      0.8383000
  1 1 1      14  -14   26 o    2.632000      0.6521000       2.643000 0.9673000       2.622000      0.8748000      0.2157000E-01   1.304000
  1 1 1      14  -14   27 o    2.971000       1.057000       2.971000 1.057000                  ?              ?              ?              ?
  1 1 1      14  -13    0 o    3.753000      0.3536000       3.659000 0.5096000       3.848000      0.4904000     -0.1886000      0.7072000
  1 1 1      14  -13    1 o    10.36000      0.2112000       10.09000 0.2888000       10.62000      0.3082000     -0.5209000      0.4223000
  1 1 1      14  -13    2 o    11.65000      0.2199000       11.89000 0.3082000       11.41000      0.3137000      0.4846000      0.4398000
  1 1 1      14  -13    3 o    2.031000      0.4760000       1.681000 0.6558000       2.380000      0.6901000     -0.6987000      0.9520000
  1 1 1      14  -13    4 o    5.582000      0.2471000       5.633000 0.3335000       5.532000      0.3648000      0.1010000      0.4943000
  1 1 1      14  -13    5 o    9.793000      0.3053000       10.04000 0.4056000       9.544000      0.4563000      0.4980000      0.6105000
  1 1 1      14  -13    6 o    2.303000      0.5785000       2.334000 0.7919000       2.271000      0.8435000      0.6352000E-01   1.157000
  1 1 1      14  -13    7 o    6.653000      0.3282000       7.117000 0.4214000       6.189000      0.5033000      0.9278000      0.6564000
  1 1 1      14  -13    8 o    5.706000      0.3106000       6.000000 0.3592000       5.412000      0.5068000      0.5879000      0.6212000
  1 1 1      14  -13    9 o    11.83000      0.2805000       11.62000 0.3334000       12.03000      0.4512000     -0.4104000      0.5610000
  1 1 1      14  -13   10 o    7.563000      0.2759000       7.826000 0.3457000       7.301000      0.4301000      0.5249000      0.5518000
  1 1 1      14  -13   11 o    8.072000      0.8327000       8.882000 0.9913000       7.261000       1.338000       1.621000       1.665000
  1 1 1      14  -13   12 o    5.769000      0.9560000       7.164000 1.379000       4.374000       1.324000       2.790000       1.912000
  1 1 1      14  -13   13 o    6.124000       1.743000       6.124000 1.743000                  ?              ?              ?              ?
  1 1 1      14  -13   14 o    5.668000      0.3270000       5.968000 0.4238000       5.368000      0.4982000      0.6000000      0.6541000
  1 1 1      14  -13   15 o    5.272000      0.3430000       5.091000 0.4698000       5.452000      0.4998000     -0.3609000      0.6859000
  1 1 1      14  -13   16 o    5.210000      0.3189000       5.283000 0.4276000       5.138000      0.4732000      0.1457000      0.6378000
  1 1 1      14  -13   17 o    2.262000      0.5564000       1.898000 0.7592000       2.627000      0.8135000     -0.7292000       1.113000
  1 1 1      14  -13   18 o    7.462000      0.2418000       7.816000 0.3339000       7.109000      0.3499000      0.7067000      0.4837000
  1 1 1      14  -13   19 o    4.613000      0.3204000       4.788000 0.4414000       4.439000      0.4644000      0.3494000      0.6407000
  1 1 1      14  -13   20 o    3.036000      0.4486000       3.332000 0.6037000       2.741000      0.6637000      0.5907000      0.8972000
  1 1 1      14  -13   21 o    4.992000      0.2866000       4.814000 0.4270000       5.171000      0.3825000     -0.3576000      0.5733000
  1 1 1      14  -13   22 f    5.190000      0.3167000       4.728000 0.5190000       5.653000      0.3629000     -0.9253000      0.6333000
  1 1 1      14  -13   23 o    2.606000      0.5578000       2.720000 0.8381000       2.493000      0.7364000      0.2265000       1.116000
  1 1 1      14  -13   24 o    2.426000      0.5782000       2.568000 0.8791000       2.284000      0.7512000      0.2840000       1.156000
  1 1 1      14  -13   25 f    2.231000      0.5850000       1.956000 0.8432000       2.506000      0.8110000     -0.5494000       1.170000
  1 1 1      14  -13   26 o    3.273000      0.5584000       2.404000 0.9330000       4.142000      0.6139000      -1.738000       1.117000
  1 1 1      14  -13   27 o    1.656000      0.7751000       1.656000 0.7751000                  ?              ?              ?              ?
  1 1 1      14  -12    0 o    6.622000      0.2217000       6.604000 0.3157000       6.639000      0.3113000     -0.3497000E-01  0.4433000
  1 1 1      14  -12    1 o    10.16000      0.2927000                  ?       ?   10.16000      0.2927000                  ?              ?
  1 1 1      14  -12    2 o    3.413000      0.5840000       3.782000 0.6977000       3.045000      0.9367000      0.7373000       1.168000
  1 1 1      14  -12    3 o    5.030000      0.4402000       5.785000 0.4748000       4.276000      0.7415000       1.509000      0.8805000
  1 1 1      14  -12    4 o    7.870000      0.3294000       8.548000 0.4072000       7.192000      0.5180000       1.357000      0.6589000
  1 1 1      14  -12    5 o    1.392000      0.4216000       1.242000 0.5527000       1.541000      0.6368000     -0.2990000      0.8432000
  1 1 1      14  -12    6 o    6.136000      0.2486000       6.659000 0.3073000       5.613000      0.3909000       1.046000      0.4972000
  1 1 1      14  -12    7 o    6.769000      0.3536000       7.260000 0.4513000       6.277000      0.5446000      0.9827000      0.7073000
  1 1 1      14  -12    8 o    15.50000      0.3614000       16.02000 0.5034000       14.98000      0.5186000       1.043000      0.7227000
  1 1 1      14  -12    9 o    7.129000      0.5844000       7.415000 0.6358000       6.844000      0.9807000      0.5710000       1.169000
  1 1 1      14  -12   10 o    7.129000      0.2663000       6.885000 0.3589000       7.374000      0.3936000     -0.4890000      0.5326000
  1 1 1      14  -12   11 o    10.67000      0.2704000       10.57000 0.3376000       10.76000      0.4224000     -0.1881000      0.5407000
  1 1 1      14  -12   12 o    8.318000      0.2699000       8.305000 0.3560000       8.332000      0.4058000     -0.2705000E-01  0.5398000
  1 1 1      14  -12   13 o    1.528000      0.4739000       1.406000 0.6253000       1.651000      0.7124000     -0.2448000      0.9479000
  1 1 1      14  -12   14 o    10.90000      0.2799000       10.60000 0.3686000       11.20000      0.4214000     -0.5971000      0.5598000
  1 1 1      14  -12   15 o    2.661000      0.5132000       2.504000 0.7323000       2.817000      0.7191000     -0.3135000       1.026000
  1 1 1      14  -12   16 o    6.284000      0.2781000       6.286000 0.3769000       6.282000      0.4090000      0.3648000E-02  0.5562000
  1 1 1      14  -12   17 o    5.389000      0.3115000       5.418000 0.4184000       5.361000      0.4614000      0.5654000E-01  0.6229000
  1 1 1      14  -12   18 o    8.530000      0.2586000       8.421000 0.4108000       8.638000      0.3141000     -0.2175000      0.5171000
  1 1 1      14  -12   19 o    3.931000      0.3651000       3.769000 0.5401000       4.094000      0.4914000     -0.3253000      0.7302000
  1 1 1      14  -12   20 o    5.673000      0.2327000       5.993000 0.3226000       5.352000      0.3355000      0.6409000      0.4655000
  1 1 1      14  -12   21 o    3.953000      0.3135000       3.852000 0.4709000       4.054000      0.4139000     -0.2021000      0.6269000
  1 1 1      14  -12   22 f    4.446000      0.3276000       4.077000 0.5307000       4.814000      0.3843000     -0.7374000      0.6552000
  1 1 1      14  -12   23 o    2.151000      0.5263000       2.200000 0.7866000       2.102000      0.6994000      0.9832000E-01   1.053000
  1 1 1      14  -12   24 o    6.456000      0.2862000       6.064000 0.4649000       6.849000      0.3338000     -0.7850000      0.5724000
  1 1 1      14  -12   25 o    2.347000      0.5546000       1.800000 0.7985000       2.894000      0.7699000      -1.094000       1.109000
  1 1 1      14  -12   26 o    3.140000      0.5928000       3.298000 0.9056000       2.981000      0.7652000      0.3163000       1.186000
  1 1 1      14  -12   27 o    4.873000      0.4451000       4.810000 0.7034000       4.935000      0.5457000     -0.1243000      0.8902000
  1 1 1      14  -12   28 o    2.382000      0.6290000       2.564000 0.9459000       2.200000      0.8295000      0.3637000       1.258000
  1 1 1      14  -11    0 o    4.093000      0.5214000       4.581000 0.6061000       3.605000      0.8486000      0.9760000       1.043000
  1 1 1      14  -11    1 o    3.352000      0.5365000       3.531000 0.6241000       3.174000      0.8729000      0.3575000       1.073000
  1 1 1      14  -11    2 f    9.852000      0.2043000       9.918000 0.2907000       9.785000      0.2871000      0.1326000      0.4085000
  1 1 1      14  -11    3 o    7.305000      0.2006000       7.300000 0.2848000       7.311000      0.2827000     -0.1157000E-01  0.4013000
  1 1 1      14  -11    4 o    7.651000      0.2251000       7.686000 0.2656000       7.616000      0.3634000      0.6966000E-01  0.4501000
  1 1 1      14  -11    5 o    6.390000      0.2731000       6.078000 0.3980000       6.703000      0.3742000     -0.6250000      0.5463000
  1 1 1      14  -11    6 o    6.998000      0.2660000       7.145000 0.3710000       6.850000      0.3814000      0.2949000      0.5321000
  1 1 1      14  -11    7 o    2.986000      0.4098000       3.239000 0.4902000       2.733000      0.6568000      0.5058000      0.8195000
  1 1 1      14  -11    8 o    6.604000      0.2183000       6.515000 0.2971000       6.692000      0.3200000     -0.1770000      0.4367000
  1 1 1      14  -11    9 o    5.225000      0.2745000       5.252000 0.3403000       5.198000      0.4310000      0.5363000E-01  0.5491000
  1 1 1      14  -11   10 o    8.105000      0.2375000       8.168000 0.3035000       8.042000      0.3655000      0.1258000      0.4751000
  1 1 1      14  -11   11 f    4.987000      0.3143000       4.845000 0.3899000       5.129000      0.4930000     -0.2840000      0.6285000
  1 1 1      14  -11   12 o    8.787000      0.2533000       8.686000 0.3320000       8.888000      0.3827000     -0.2021000      0.5066000
  1 1 1      14  -11   13 o    3.563000      0.4131000       3.526000 0.5486000       3.600000      0.6177000     -0.7417000E-01  0.8261000
  1 1 1      14  -11   14 o    13.18000      0.2849000       12.94000 0.3682000       13.41000      0.4350000     -0.4651000      0.5699000
  1 1 1      14  -11   15 o    4.231000      0.3680000       4.372000 0.4901000       4.091000      0.5490000      0.2811000      0.7359000
  1 1 1      14  -11   16 o    3.399000      0.4486000       4.387000 0.4514000       2.411000      0.7755000       1.975000      0.8973000
  1 1 1      14  -11   17 o    2.881000      0.4738000       2.524000 0.6703000       3.238000      0.6697000     -0.7139000      0.9476000
  1 1 1      14  -11   18 o    4.330000      0.3074000       4.394000 0.4244000       4.265000      0.4447000      0.1292000      0.6147000
  1 1 1      14  -11   19 o    10.44000      0.2039000       10.25000 0.2855000       10.62000      0.2913000     -0.3695000      0.4079000
  1 1 1      14  -11   20 o    3.497000      0.3277000       2.897000 0.5369000       4.096000      0.3759000      -1.198000      0.6554000
  1 1 1      14  -11   21 o    3.264000      0.3554000       3.308000 0.5213000       3.219000      0.4832000      0.8877000E-01  0.7108000
  1 1 1      14  -11   22 o    5.641000      0.2504000       5.735000 0.3849000       5.547000      0.3205000      0.1878000      0.5009000
  1 1 1      14  -11   23 o    2.448000      0.4847000       2.258000 0.7657000       2.639000      0.5944000     -0.3805000      0.9693000
  1 1 1      14  -11   24 o    3.084000      0.4647000       3.028000 0.7523000       3.140000      0.5456000     -0.1116000      0.9293000
  1 1 1      14  -11   25 o    2.263000      0.5707000       2.199000 0.8620000       2.327000      0.7482000     -0.1277000       1.141000
  1 1 1      14  -11   26 o    2.334000      0.5523000       1.891000 0.8167000       2.778000      0.7437000     -0.8872000       1.105000
  1 1 1      14  -11   27 o    1.638000      0.5161000       1.815000 0.8004000       1.461000      0.6518000      0.3542000       1.032000
  1 1 1      14  -11   28 o    2.205000      0.6064000       2.564000 0.9310000       1.846000      0.7773000      0.7184000       1.213000
  1 1 1      14  -11   29 o    2.003000      0.5608000       1.683000 0.7712000       2.323000      0.8145000     -0.6399000       1.122000
  1 1 1      14  -10    0 o    7.170000      0.2146000       7.383000 0.3052000       6.956000      0.3018000      0.4271000      0.4292000
  1 1 1      14  -10    1 o    13.36000      0.2240000       13.64000 0.3204000       13.08000      0.3130000      0.5609000      0.4479000
  1 1 1      14  -10    2 o    9.934000      0.2670000       10.11000 0.3959000       9.757000      0.3582000      0.3549000      0.5339000
  1 1 1      14  -10    3 o    3.392000      0.3866000       3.462000 0.5904000       3.323000      0.4991000      0.1385000      0.7731000
  1 1 1      14  -10    4 o    7.166000      0.1959000       7.529000 0.2728000       6.804000      0.2813000      0.7251000      0.3919000
  1 1 1      14  -10    5 o    8.169000      0.1928000       8.164000 0.2635000       8.174000      0.2816000     -0.9473000E-02  0.3856000
  1 1 1      14  -10    6 o    10.12000      0.1923000       10.18000 0.2666000       10.06000      0.2772000      0.1180000      0.3846000
  1 1 1      14  -10    7 o    12.26000      0.2069000       12.20000 0.2865000       12.32000      0.2987000     -0.1217000      0.4139000
  1 1 1      14  -10    8 o    6.838000      0.2096000       7.044000 0.2702000       6.631000      0.3205000      0.4131000      0.4192000
  1 1 1      14  -10    9 o    6.493000      0.2095000       6.845000 0.2667000       6.140000      0.3233000      0.7050000      0.4191000
  1 1 1      14  -10   10 o    4.044000      0.3661000       4.621000 0.3593000       3.467000      0.6380000       1.154000      0.7322000
  1 1 1      14  -10   11 o    2.135000      0.4980000       2.002000 0.6587000       2.268000      0.7470000     -0.2658000      0.9960000
  1 1 1      14  -10   12 o    7.181000      0.2547000       7.175000 0.3340000       7.186000      0.3845000     -0.1131000E-01  0.5093000
  1 1 1      14  -10   13 o    3.694000      0.3809000       3.510000 0.5093000       3.878000      0.5665000     -0.3680000      0.7618000
  1 1 1      14  -10   14 o    10.36000      0.2656000       10.17000 0.3636000       10.55000      0.3873000     -0.3803000      0.5313000
  1 1 1      14  -10   15 o    9.080000      0.2513000       8.953000 0.3342000       9.207000      0.3754000     -0.2544000      0.5026000
  1 1 1      14  -10   16 o    2.795000      0.4731000       2.110000 0.7328000       3.480000      0.5986000      -1.370000      0.9462000
  1 1 1      14  -10   17 f    1.783000      0.4796000       1.864000 0.6615000       1.701000      0.6946000      0.1632000      0.9592000
  1 1 1      14  -10   18 o    1.494000      0.4346000       1.667000 0.6362000       1.322000      0.5923000      0.3447000      0.8693000
  1 1 1      14  -10   19 o    9.404000      0.1927000       9.663000 0.2686000       9.145000      0.2763000      0.5187000      0.3854000
  1 1 1      14  -10   20 o    7.811000      0.1844000       7.777000 0.2609000       7.846000      0.2605000     -0.6877000E-01  0.3687000
  1 1 1      14  -10   21 o    2.269000      0.4294000       2.107000 0.6550000       2.430000      0.5554000     -0.3234000      0.8588000
  1 1 1      14  -10   22 o    5.077000      0.2524000       5.122000 0.3884000       5.032000      0.3225000      0.8994000E-01  0.5048000
  1 1 1      14  -10   23 o    6.866000      0.2331000       6.642000 0.3481000       7.090000      0.3101000     -0.4482000      0.4662000
  1 1 1      14  -10   24 o    4.813000      0.3158000       5.067000 0.4932000       4.558000      0.3946000      0.5088000      0.6317000
  1 1 1      14  -10   25 o    3.747000      0.4201000       3.439000 0.7167000       4.055000      0.4386000     -0.6161000      0.8402000
  1 1 1      14  -10   26 o    1.795000      0.5238000       1.932000 0.8084000       1.658000      0.6665000      0.2738000       1.048000
  1 1 1      14  -10   27 o    2.103000      0.5702000       2.444000 0.8743000       1.762000      0.7320000      0.6822000       1.140000
  1 1 1      14  -10   28 o    4.733000      0.6266000       4.733000 0.6266000                  ?              ?              ?              ?
  1 1 1      14  -10   29 o    2.036000      0.5614000       1.836000 0.8054000       2.236000      0.7822000     -0.3993000       1.123000
  1 1 1      14  -10   30 o    2.108000      0.7990000                  ?       ?   2.108000      0.7990000                  ?              ?
  1 1 1      14   -9    0 o    12.11000      0.2940000       12.38000 0.4344000       11.83000      0.3964000      0.5479000      0.5880000
  1 1 1      14   -9    1 o    7.793000      0.2652000       7.691000 0.4013000       7.895000      0.3470000     -0.2041000      0.5305000
  1 1 1      14   -9    2 o    1.346000      0.3925000       1.530000 0.5857000       1.161000      0.5227000      0.3688000      0.7850000
  1 1 1      14   -9    3 o    4.826000      0.2306000       5.041000 0.3351000       4.611000      0.3168000      0.4298000      0.4611000
  1 1 1      14   -9    4 o    2.537000      0.3691000       3.060000 0.4384000       2.014000      0.5938000       1.045000      0.7381000
  1 1 1      14   -9    5 o    1.546000      0.4065000       1.719000 0.5955000       1.373000      0.5535000      0.3460000      0.8130000
  1 1 1      14   -9    6 o    2.987000      0.3174000       3.018000 0.4249000       2.956000      0.4717000      0.6196000E-01  0.6349000
  1 1 1      14   -9    7 o    6.241000      0.1930000       6.544000 0.2569000       5.937000      0.2880000      0.6065000      0.3860000
  1 1 1      14   -9    8 o    6.155000      0.1962000       6.207000 0.2620000       6.103000      0.2922000      0.1038000      0.3925000
  1 1 1      14   -9    9 o    2.855000      0.3680000       2.615000 0.5115000       3.094000      0.5293000     -0.4792000      0.7360000
  1 1 1      14   -9   10 o    1.652000      0.4274000       1.900000 0.5932000       1.404000      0.6154000      0.4965000      0.8548000
  1 1 1      14   -9   11 o    2.166000      0.4773000       1.654000 0.6259000       2.678000      0.7207000      -1.024000      0.9546000
  1 1 1      14   -9   12 o    11.63000      0.2523000       11.27000 0.2986000       11.99000      0.4068000     -0.7145000      0.5046000
  1 1 1      14   -9   13 o    2.449000      0.4520000       3.019000 0.5240000       1.879000      0.7367000       1.140000      0.9041000
  1 1 1      14   -9   14 o    8.510000      0.2424000       8.335000 0.3165000       8.686000      0.3673000     -0.3510000      0.4849000
  1 1 1      14   -9   15 o    12.94000      0.2870000       12.82000 0.3979000       13.05000      0.4138000     -0.2353000      0.5741000
  1 1 1      14   -9   16 o    3.356000      0.4326000       2.884000 0.6262000       3.829000      0.5971000     -0.9447000      0.8652000
  1 1 1      14   -9   17 o    1.961000      0.4737000       1.851000 0.6365000       2.071000      0.7019000     -0.2200000      0.9475000
  1 1 1      14   -9   18 o    4.999000      0.2202000       5.096000 0.2939000       4.902000      0.3279000      0.1932000      0.4404000
  1 1 1      14   -9   19 o    7.442000      0.1846000       7.323000 0.2567000       7.561000      0.2652000     -0.2382000      0.3691000
  1 1 1      14   -9   20 o    8.838000      0.1773000       8.965000 0.2500000       8.711000      0.2515000      0.2542000      0.3546000
  1 1 1      14   -9   21 o    4.635000      0.2256000       4.412000 0.3641000       4.858000      0.2666000     -0.4460000      0.4513000
  1 1 1      14   -9   22 o    2.636000      0.4106000       2.799000 0.6274000       2.472000      0.5298000      0.3270000      0.8212000
  1 1 1      14   -9   23 o    7.020000      0.2176000       6.749000 0.3433000       7.292000      0.2676000     -0.5426000      0.4353000
  1 1 1      14   -9   24 o    3.491000      0.3963000       3.223000 0.6813000       3.760000      0.4052000     -0.5367000      0.7927000
  1 1 1      14   -9   25 o    6.534000      0.2855000       6.792000 0.4687000       6.276000      0.3260000      0.5161000      0.5709000
  1 1 1      14   -9   26 o    1.646000      0.4531000       1.169000 0.5761000       2.123000      0.6996000     -0.9539000      0.9063000
  1 1 1      14   -9   27 o    1.447000      0.4735000       1.652000 0.7441000       1.241000      0.5857000      0.4106000      0.9470000
  1 1 1      14   -9   28 o    2.225000      0.5456000       1.981000 0.8414000       2.468000      0.6947000     -0.4867000       1.091000
  1 1 1      14   -9   29 o    1.815000      0.5407000       2.217000 0.8661000       1.412000      0.6475000      0.8048000       1.081000
  1 1 1      14   -9   30 o    5.965000      0.4371000                  ?       ?   5.965000      0.4371000                  ?              ?
  1 1 1      14   -8    0 f    12.52000      0.3081000       12.52000 0.3081000                  ?              ?              ?              ?
  1 1 1      14   -8    1 o    10.36000      0.2033000       10.08000 0.2840000       10.63000      0.2910000     -0.5502000      0.4066000
  1 1 1      14   -8    2 o    8.950000      0.2721000                  ?       ?   8.950000      0.2721000                  ?              ?
  1 1 1      14   -8    3 o    2.213000      0.3973000       2.172000 0.5842000       2.254000      0.5386000     -0.8219000E-01  0.7946000
  1 1 1      14   -8    4 o    6.202000      0.1932000       6.176000 0.2751000       6.228000      0.2713000     -0.5219000E-01  0.3863000
  1 1 1      14   -8    5 o    5.939000      0.1877000       5.840000 0.2637000       6.037000      0.2673000     -0.1963000      0.3754000
  1 1 1      14   -8    6 o    8.651000      0.1799000       8.516000 0.2533000       8.787000      0.2555000     -0.2710000      0.3598000
  1 1 1      14   -8    7 f    3.015000      0.3122000       3.314000 0.4016000       2.717000      0.4780000      0.5970000      0.6243000
  1 1 1      14   -8    8 o    3.394000      0.3239000       3.995000 0.3175000       2.793000      0.5647000       1.202000      0.6479000
  1 1 1      14   -8    9 o    8.274000      0.1808000       8.301000 0.2464000       8.247000      0.2647000      0.5429000E-01  0.3616000
  1 1 1      14   -8   10 o    6.655000      0.1903000       6.672000 0.2522000       6.638000      0.2849000      0.3362000E-01  0.3805000
  1 1 1      14   -8   11 o    3.154000      0.3650000       3.520000 0.3786000       2.787000      0.6241000      0.7330000      0.7300000
  1 1 1      14   -8   12 o    6.577000      0.2269000       6.963000 0.2786000       6.192000      0.3583000      0.7710000      0.4538000
  1 1 1      14   -8   13 o    1.663000      0.4604000       1.392000 0.5828000       1.934000      0.7129000     -0.5420000      0.9208000
  1 1 1      14   -8   14 f    4.379000      0.3041000       4.594000 0.3624000       4.165000      0.4884000      0.4292000      0.6082000
  1 1 1      14   -8   15 o    10.60000      0.2438000       10.16000 0.3114000       11.04000      0.3753000     -0.8785000      0.4876000
  1 1 1      14   -8   16 o    5.185000      0.2642000       5.199000 0.3475000       5.171000      0.3980000      0.2818000E-01  0.5284000
  1 1 1      14   -8   17 o    4.367000      0.2897000       4.482000 0.3475000       4.251000      0.4636000      0.2302000      0.5794000
  1 1 1      14   -8   18 o    3.312000      0.2813000       3.253000 0.3911000       3.371000      0.4044000     -0.1180000      0.5626000
  1 1 1      14   -8   19 o    4.426000      0.2070000       4.420000 0.2913000       4.432000      0.2943000     -0.1248000E-01  0.4141000
  1 1 1      14   -8   20 f    11.88000      0.1905000       11.62000 0.2666000       12.13000      0.2721000     -0.5110000      0.3809000
  1 1 1      14   -8   21 o    8.841000      0.1744000       8.630000 0.2537000       9.053000      0.2394000     -0.4230000      0.3488000
  1 1 1      14   -8   22 o    3.324000      0.3130000       3.439000 0.5033000       3.208000      0.3721000      0.2313000      0.6259000
  1 1 1      14   -8   23 o    5.577000      0.2358000       5.285000 0.3768000       5.868000      0.2838000     -0.5826000      0.4717000
  1 1 1      14   -8   24 o    4.502000      0.3241000       4.070000 0.5629000       4.933000      0.3212000     -0.8628000      0.6481000
  1 1 1      14   -8   25 o    3.298000      0.7904000       3.752000 1.175000       2.844000       1.058000      0.9081000       1.581000
  1 1 1      14   -8   26 o    3.078000      0.8439000       3.132000 1.219000       3.024000       1.167000      0.1082000       1.688000
  1 1 1      14   -8   27 o    3.128000      0.5467000       2.897000 0.9034000       3.360000      0.6158000     -0.4626000       1.093000
  1 1 1      14   -8   28 o    2.030000      0.5694000       2.158000 0.8766000       1.903000      0.7271000      0.2548000       1.139000
  1 1 1      14   -8   29 o    2.754000      0.5532000       2.441000 0.8601000       3.066000      0.6959000     -0.6249000       1.106000
  1 1 1      14   -8   30 o    3.548000      0.5024000       2.356000 0.8878000       4.741000      0.4704000      -2.385000       1.005000
  1 1 1      14   -8   31 o    3.007000      0.5206000       2.857000 0.8037000       3.156000      0.6619000     -0.2983000       1.041000
  1 1 1      14   -7    0 o    8.589000      0.2650000       8.900000 0.2782000       8.279000      0.4511000      0.6215000      0.5300000
  1 1 1      14   -7    1 o    6.067000      0.2054000       5.998000 0.2901000       6.136000      0.2910000     -0.1384000      0.4109000
  1 1 1      14   -7    2 o    7.320000      0.1842000       6.795000 0.2509000       7.844000      0.2697000      -1.048000      0.3683000
  1 1 1      14   -7    3 o    14.62000      0.2295000       14.79000 0.3275000       14.44000      0.3215000      0.3477000      0.4590000
  1 1 1      14   -7    4 o    8.052000      0.1820000       8.198000 0.2528000       7.907000      0.2619000      0.2914000      0.3640000
  1 1 1      14   -7    5 o    6.272000      0.1822000       6.233000 0.2593000       6.311000      0.2559000     -0.7735000E-01  0.3643000
  1 1 1      14   -7    6 o    10.40000      0.1841000       10.41000 0.2576000       10.38000      0.2632000      0.3881000E-01  0.3683000
  1 1 1      14   -7    7 o    5.212000      0.1826000       5.413000 0.2477000       5.010000      0.2685000      0.4028000      0.3653000
  1 1 1      14   -7    8 o    2.652000      0.3349000       2.769000 0.4463000       2.535000      0.4994000      0.2342000      0.6697000
  1 1 1      14   -7    9 o    5.157000      0.1907000       5.144000 0.2601000       5.169000      0.2788000     -0.2575000E-01  0.3813000
  1 1 1      14   -7   10 o    3.401000      0.2745000       3.369000 0.3581000       3.433000      0.4160000     -0.6382000E-01  0.5489000
  1 1 1      14   -7   11 o    11.02000      0.2349000       10.72000 0.2580000       11.32000      0.3926000     -0.5994000      0.4698000
  1 1 1      14   -7   12 o    5.879000      0.2265000       5.998000 0.2811000       5.759000      0.3552000      0.2396000      0.4530000
  1 1 1      14   -7   13 o    16.37000      0.2993000       16.28000 0.3532000       16.47000      0.4833000     -0.1884000      0.5986000
  1 1 1      14   -7   14 o    9.142000      0.2279000       8.843000 0.3004000       9.442000      0.3429000     -0.5994000      0.4558000
  1 1 1      14   -7   15 o    2.476000      0.4335000       2.438000 0.5693000       2.514000      0.6539000     -0.7601000E-01  0.8670000
  1 1 1      14   -7   16 o    10.60000      0.2352000       10.47000 0.3033000       10.73000      0.3595000     -0.2581000      0.4703000
  1 1 1      14   -7   17 o    7.946000      0.2293000       8.143000 0.3151000       7.749000      0.3332000      0.3934000      0.4586000
  1 1 1      14   -7   18 o    1.503000      0.4430000       1.457000 0.6071000       1.550000      0.6454000     -0.9375000E-01  0.8860000
  1 1 1      14   -7   19 o    5.149000      0.2636000       5.214000 0.3572000       5.084000      0.3876000      0.1294000      0.5271000
  1 1 1      14   -7   20 o    16.87000      0.3488000       16.87000 0.4963000       16.87000      0.4903000      0.5753000E-02  0.6976000
  1 1 1      14   -7   21 o    7.214000      0.2872000       7.118000 0.4153000       7.310000      0.3968000     -0.1916000      0.5743000
  1 1 1      14   -7   22 o    5.603000      0.1873000       5.451000 0.2952000       5.756000      0.2308000     -0.3057000      0.3747000
  1 1 1      14   -7   23 o    8.055000      0.2065000       8.016000 0.3182000       8.094000      0.2633000     -0.7785000E-01  0.4130000
  1 1 1      14   -7   24 o    3.800000      0.3464000       3.802000 0.5694000       3.798000      0.3946000      0.3481000E-02  0.6928000
  1 1 1      14   -7   25 o    1.594000      0.4693000       1.867000 0.7427000       1.321000      0.5739000      0.5460000      0.9386000
  1 1 1      14   -7   26 o    7.308000      0.2744000       7.377000 0.4516000       7.238000      0.3119000      0.1384000      0.5488000
  1 1 1      14   -7   27 o    4.932000      0.3682000       4.994000 0.6055000       4.870000      0.4192000      0.1237000      0.7365000
  1 1 1      14   -7   28 o    2.947000      0.4950000       3.510000 0.7098000       2.384000      0.6903000       1.127000      0.9901000
  1 1 1      14   -7   30 o    2.330000      0.7071000       2.236000 1.005000       2.423000      0.9951000     -0.1872000       1.414000
  1 1 1      14   -7   32 o    4.212000      0.5894000       3.308000 0.9773000       5.116000      0.6589000      -1.809000       1.179000
  1 1 1      14   -6    0 o    3.627000      0.2975000       3.715000 0.4063000       3.538000      0.4347000      0.1775000      0.5950000
  1 1 1      14   -6    1 o    2.496000      0.3964000       2.241000 0.6032000       2.752000      0.5146000     -0.5116000      0.7928000
  1 1 1      14   -6    2 o    6.996000      0.1953000       6.931000 0.2775000       7.062000      0.2749000     -0.1304000      0.3906000
  1 1 1      14   -6    3 o    12.53000      0.2100000       12.45000 0.2965000       12.62000      0.2975000     -0.1675000      0.4200000
  1 1 1      14   -6    4 o    7.222000      0.1837000       7.171000 0.2589000       7.273000      0.2606000     -0.1013000      0.3673000
  1 1 1      14   -6    5 o    7.383000      0.1760000       7.406000 0.2476000       7.360000      0.2500000      0.4677000E-01  0.3519000
  1 1 1      14   -6    6 o    8.748000      0.1734000       8.801000 0.2432000       8.695000      0.2473000      0.1063000      0.3468000
  1 1 1      14   -6    7 o    2.019000      0.3646000       2.061000 0.5067000       1.977000      0.5245000      0.8358000E-01  0.7293000
  1 1 1      14   -6    8 o    4.391000      0.1932000       4.582000 0.2584000       4.200000      0.2874000      0.3820000      0.3865000
  1 1 1      14   -6    9 o    2.688000      0.2905000       2.467000 0.4238000       2.909000      0.3974000     -0.4426000      0.5810000
  1 1 1      14   -6   10 o    10.92000      0.1817000       10.91000 0.2529000       10.93000      0.2609000     -0.1384000E-01  0.3633000
  1 1 1      14   -6   11 o    16.27000      0.2389000       16.44000 0.3380000       16.09000      0.3378000      0.3492000      0.4779000
  1 1 1      14   -6   12 o    7.478000      0.1878000       7.468000 0.2430000       7.487000      0.2864000     -0.1914000E-01  0.3756000
  1 1 1      14   -6   13 o    8.405000      0.2345000       8.249000 0.3191000       8.562000      0.3437000     -0.3131000      0.4690000
  1 1 1      14   -6   14 o    9.963000      0.2416000       10.11000 0.3323000       9.818000      0.3506000      0.2912000      0.4831000
  1 1 1      14   -6   15 o    7.273000      0.2271000       7.077000 0.3061000       7.470000      0.3355000     -0.3926000      0.4542000
  1 1 1      14   -6   16 o    2.124000      0.4261000       2.364000 0.5484000       1.883000      0.6525000      0.4809000      0.8523000
  1 1 1      14   -6   17 f    4.001000      0.2576000       3.865000 0.3264000       4.138000      0.3987000     -0.2730000      0.5152000
  1 1 1      14   -6   18 o    7.607000      0.1564000       7.532000 0.2099000       7.682000      0.2320000     -0.1499000      0.3129000
  1 1 1      14   -6   19 o    13.08000      0.1919000       13.21000 0.2728000       12.95000      0.2700000      0.2599000      0.3838000
  1 1 1      14   -6   20 f    13.46000      0.2705000       13.83000 0.3933000       13.09000      0.3714000      0.7422000      0.5410000
  1 1 1      14   -6   21 f    5.978000      0.1920000       6.042000 0.2940000       5.914000      0.2469000      0.1275000      0.3839000
  1 1 1      14   -6   22 o    5.484000      0.2203000       5.512000 0.3439000       5.457000      0.2756000      0.5540000E-01  0.4407000
  1 1 1      14   -6   23 o    6.206000      0.2272000       6.065000 0.3551000       6.347000      0.2834000     -0.2824000      0.4543000
  1 1 1      14   -6   24 o    3.176000      0.4022000       2.902000 0.6997000       3.450000      0.3969000     -0.5477000      0.8045000
  1 1 1      14   -6   25 f    7.549000      0.2548000       7.441000 0.3973000       7.657000      0.3191000     -0.2157000      0.5096000
  1 1 1      14   -6   26 o    10.69000      0.2705000       10.62000 0.4067000       10.76000      0.3569000     -0.1374000      0.5411000
  1 1 1      14   -6   27 o    4.656000      0.3837000       4.146000 0.6553000       5.165000      0.3994000      -1.019000      0.7674000
  1 1 1      14   -6   28 o    1.923000      0.5316000       1.923000 0.8099000       1.924000      0.6888000     -0.6081000E-03   1.063000
  1 1 1      14   -6   29 o    3.075000      0.8137000       3.075000 0.8137000                  ?              ?              ?              ?
  1 1 1      14   -6   30 o    3.028000      0.4905000       3.226000 0.7053000       2.831000      0.6819000      0.3948000      0.9811000
  1 1 1      14   -6   31 o    4.606000      0.4101000                  ?       ?   4.606000      0.4101000                  ?              ?
  1 1 1      14   -6   32 o    2.424000      0.4791000       2.105000 0.7105000       2.744000      0.6428000     -0.6392000      0.9581000
  1 1 1      14   -5    0 o    15.74000      0.2460000       15.96000 0.3484000       15.53000      0.3473000      0.4306000      0.4920000
  1 1 1      14   -5    1 o    6.364000      0.1968000       6.340000 0.2769000       6.388000      0.2798000     -0.4821000E-01  0.3937000
  1 1 1      14   -5    2 o    6.064000      0.1971000       5.986000 0.2794000       6.141000      0.2781000     -0.1550000      0.3942000
  1 1 1      14   -5    3 o    4.039000      0.2418000       3.762000 0.3535000       4.315000      0.3300000     -0.5528000      0.4836000
  1 1 1      14   -5    4 o    4.825000      0.2848000       4.917000 0.4262000       4.734000      0.3778000      0.1835000      0.5695000
  1 1 1      14   -5    5 o    13.06000      0.2081000       13.13000 0.2932000       13.00000      0.2954000      0.1287000      0.4163000
  1 1 1      14   -5    6 o    11.05000      0.1881000       11.24000 0.2660000       10.85000      0.2661000      0.3848000      0.3763000
  1 1 1      14   -5    7 o    6.187000      0.1724000       6.066000 0.2405000       6.307000      0.2470000     -0.2412000      0.3448000
  1 1 1      14   -5    8 o    4.613000      0.1879000       4.812000 0.2558000       4.414000      0.2753000      0.3974000      0.3758000
  1 1 1      14   -5    9 o    8.636000      0.1632000       8.791000 0.2272000       8.482000      0.2344000      0.3099000      0.3264000
  1 1 1      14   -5   10 o    4.688000      0.2813000       4.113000 0.3827000       5.263000      0.4125000      -1.150000      0.5627000
  1 1 1      14   -5   11 o    10.05000      0.2515000       10.43000 0.3478000       9.667000      0.3635000      0.7624000      0.5031000
  1 1 1      14   -5   12 o    10.49000      0.1768000       10.46000 0.2432000       10.52000      0.2568000     -0.5743000E-01  0.3537000
  1 1 1      14   -5   13 o    6.979000      0.1939000       6.732000 0.2438000       7.226000      0.3015000     -0.4937000      0.3877000
  1 1 1      14   -5   14 o    7.581000      0.2161000       7.764000 0.2719000       7.398000      0.3359000      0.3661000      0.4322000
  1 1 1      14   -5   15 o    8.817000      0.5972000       8.817000 0.5972000                  ?              ?              ?              ?
  1 1 1      14   -5   16 o    4.877000      0.9279000       5.151000 0.7988000       4.603000       1.675000      0.5476000       1.856000
  1 1 1      14   -5   17 o    9.694000      0.3377000       9.642000 0.3690000       9.745000      0.5658000     -0.1030000      0.6755000
  1 1 1      14   -5   18 o    6.830000      0.1447000       6.684000 0.1888000       6.976000      0.2195000     -0.2921000      0.2895000
  1 1 1      14   -5   19 o    13.91000      0.1994000       13.86000 0.2801000       13.97000      0.2838000     -0.1133000      0.3987000
  1 1 1      14   -5   20 o    9.035000      0.1489000       8.963000 0.2117000       9.107000      0.2094000     -0.1435000      0.2977000
  1 1 1      14   -5   21 o    5.549000      0.1550000       5.691000 0.2329000       5.406000      0.2045000      0.2849000      0.3100000
  1 1 1      14   -5   22 o    4.172000      0.2036000       4.101000 0.3259000       4.242000      0.2441000     -0.1407000      0.4072000
  1 1 1      14   -5   23 o    7.270000      0.1997000       7.113000 0.3098000       7.427000      0.2520000     -0.3146000      0.3993000
  1 1 1      14   -5   24 o    3.911000      0.2965000       4.167000 0.4597000       3.655000      0.3747000      0.5114000      0.5930000
  1 1 1      14   -5   25 o    5.367000      0.2586000       5.147000 0.4160000       5.586000      0.3072000     -0.4389000      0.5172000
  1 1 1      14   -5   26 o    2.616000      0.4539000       2.087000 0.7656000       3.145000      0.4878000      -1.057000      0.9078000
  1 1 1      14   -5   27 o    6.583000      0.2795000       6.139000 0.4365000       7.028000      0.3493000     -0.8891000      0.5591000
  1 1 1      14   -5   28 o    1.712000      0.5182000       1.969000 0.8189000       1.455000      0.6354000      0.5138000       1.036000
  1 1 1      14   -5   29 o    2.358000      0.4826000       1.681000 0.7115000       3.036000      0.6522000      -1.356000      0.9652000
  1 1 1      14   -5   30 o    2.551000      0.5480000       2.062000 0.8223000       3.040000      0.7245000     -0.9778000       1.096000
  1 1 1      14   -5   31 o    1.637000      0.7077000                  ?       ?   1.637000      0.7077000                  ?              ?
  1 1 1      14   -5   32 o    2.085000      0.5560000       2.109000 0.8084000       2.061000      0.7634000      0.4821000E-01   1.112000
  1 1 1      14   -5   33 o    4.688000      0.2468000       4.386000 0.3600000       4.990000      0.3377000     -0.6037000      0.4936000
  1 1 1      14   -4    0 o    9.622000      0.1973000       9.826000 0.2782000       9.418000      0.2799000      0.4085000      0.3946000
  1 1 1      14   -4    1 o    12.03000      0.2953000       12.03000 0.2953000                  ?              ?              ?              ?
  1 1 1      14   -4    2 o    8.809000      0.1900000       8.937000 0.2700000       8.680000      0.2674000      0.2567000      0.3800000
  1 1 1      14   -4    3 o    3.821000      0.3475000                  ?       ?   3.821000      0.3475000                  ?              ?
  1 1 1      14   -4    4 o    11.31000      0.1942000       11.28000 0.2757000       11.34000      0.2735000     -0.5823000E-01  0.3883000
  1 1 1      14   -4    5 f    17.19000      0.2529000       17.26000 0.3582000       17.12000      0.3572000      0.1359000      0.5058000
  1 1 1      14   -4    6 o    14.46000      0.2207000       14.38000 0.3094000       14.54000      0.3149000     -0.1648000      0.4414000
  1 1 1      14   -4    7 o    5.934000      0.1743000       5.988000 0.2475000       5.880000      0.2453000      0.1084000      0.3485000
  1 1 1      14   -4    8 o    7.987000      0.2492000       7.831000 0.3297000       8.142000      0.3737000     -0.3105000      0.4983000
  1 1 1      14   -4    9 o    6.246000      0.2513000       6.362000 0.3276000       6.130000      0.3813000      0.2320000      0.5027000
  1 1 1      14   -4   10 o    1.994000      0.3154000       1.876000 0.4585000       2.112000      0.4334000     -0.2370000      0.6309000
  1 1 1      14   -4   11 o    12.62000      0.1925000       12.76000 0.2713000       12.47000      0.2733000      0.2967000      0.3850000
  1 1 1      14   -4   12 o    7.265000      0.2195000       7.070000 0.2988000       7.460000      0.3216000     -0.3900000      0.4390000
  1 1 1      14   -4   13 o    5.171000      0.2999000       4.555000 0.3741000       5.786000      0.4687000      -1.231000      0.5997000
  1 1 1      14   -4   14 o    5.036000      0.5106000       4.909000 0.2268000       5.164000      0.9956000     -0.2559000       1.021000
  1 1 1      14   -4   15 o    3.614000      0.2780000       3.558000 0.3431000       3.670000      0.4375000     -0.1124000      0.5560000
  1 1 1      14   -4   16 o    11.68000      0.2462000       11.89000 0.3562000       11.47000      0.3399000      0.4133000      0.4924000
  1 1 1      14   -4   17 o    12.11000      0.1990000       12.10000 0.2642000       12.11000      0.2976000     -0.2410000E-02  0.3980000
  1 1 1      14   -4   18 o    13.55000      0.1957000       13.60000 0.2735000       13.51000      0.2801000      0.8974000E-01  0.3914000
  1 1 1      14   -4   19 o    7.035000      0.1318000       6.939000 0.1835000       7.131000      0.1891000     -0.1920000      0.2635000
  1 1 1      14   -4   20 o    6.948000      0.1332000       6.811000 0.1904000       7.085000      0.1863000     -0.2736000      0.2663000
  1 1 1      14   -4   21 o    13.38000      0.1944000       13.46000 0.2784000       13.31000      0.2713000      0.1566000      0.3887000
  1 1 1      14   -4   22 o    4.916000      0.1734000       4.762000 0.2728000       5.070000      0.2140000     -0.3076000      0.3468000
  1 1 1      14   -4   23 o    12.45000      0.2031000       12.25000 0.2977000       12.66000      0.2763000     -0.4048000      0.4062000
  1 1 1      14   -4   24 o    2.860000      0.4024000       2.195000 0.7150000       3.525000      0.3693000      -1.330000      0.8048000
  1 1 1      14   -4   25 o    6.029000      0.2588000       6.197000 0.4210000       5.861000      0.3012000      0.3357000      0.5177000
  1 1 1      14   -4   26 f    4.511000      0.3091000       4.413000 0.4988000       4.609000      0.3651000     -0.1962000      0.6182000
  1 1 1      14   -4   27 o    4.220000      0.3350000       4.398000 0.5210000       4.041000      0.4214000      0.3573000      0.6701000
  1 1 1      14   -4   28 o    2.915000      0.4619000       2.633000 0.7504000       3.197000      0.5386000     -0.5642000      0.9237000
  1 1 1      14   -4   29 o    3.225000      0.4173000       3.762000 0.5484000       2.688000      0.6293000       1.073000      0.8347000
  1 1 1      14   -4   30 o    2.176000      0.4880000       2.337000 0.7188000       2.015000      0.6603000      0.3223000      0.9761000
  1 1 1      14   -4   31 o    1.528000      0.4640000       1.150000 0.5431000       1.905000      0.7524000     -0.7553000      0.9280000
  1 1 1      14   -4   32 o    2.659000      0.4070000       2.104000 0.6454000       3.214000      0.4961000      -1.109000      0.8140000
  1 1 1      14   -4   33 o    3.063000      0.4523000       2.707000 0.8259000       3.419000      0.3688000     -0.7125000      0.9045000
  1 1 1      14   -3    0 o    3.376000      0.2966000       3.020000 0.4697000       3.732000      0.3621000     -0.7121000      0.5931000
  1 1 1      14   -3    1 o    14.86000      0.3297000       14.86000 0.3297000                  ?              ?              ?              ?
  1 1 1      14   -3    2 o    10.17000      0.1921000       10.04000 0.2709000       10.30000      0.2725000     -0.2558000      0.3843000
  1 1 1      14   -3    3 o    7.739000      0.2584000                  ?       ?   7.739000      0.2584000                  ?              ?
  1 1 1      14   -3    4 o    7.000000      0.1806000       6.748000 0.2590000       7.252000      0.2518000     -0.5038000      0.3612000
  1 1 1      14   -3    5 o    10.30000      0.1839000       10.38000 0.2603000       10.23000      0.2599000      0.1524000      0.3678000
  1 1 1      14   -3    6 o    3.463000      0.3768000       3.433000 0.4603000       3.492000      0.5967000     -0.5884000E-01  0.7536000
  1 1 1      14   -3    7 o    10.92000      0.2706000       11.53000 0.3772000       10.31000      0.3880000       1.223000      0.5411000
  1 1 1      14   -3    8 o    7.081000      0.1627000       7.159000 0.2303000       7.002000      0.2299000      0.1569000      0.3254000
  1 1 1      14   -3    9 o    1.394000      0.3471000       1.168000 0.4794000       1.619000      0.5022000     -0.4512000      0.6943000
  1 1 1      14   -3   10 o    11.68000      0.2479000       11.88000 0.3592000       11.47000      0.3418000      0.4106000      0.4958000
  1 1 1      14   -3   11 o    9.780000      0.2157000       9.617000 0.3030000       9.942000      0.3070000     -0.3250000      0.4314000
  1 1 1      14   -3   12 o    2.811000      0.2186000       2.650000 0.3132000       2.971000      0.3051000     -0.3209000      0.4373000
  1 1 1      14   -3   13 o    5.697000      0.1570000       5.581000 0.2067000       5.813000      0.2363000     -0.2320000      0.3139000
  1 1 1      14   -3   14 o    1.538000      0.3965000       1.263000 0.5011000       1.813000      0.6148000     -0.5504000      0.7931000
  1 1 1      14   -3   15 o    5.750000      0.6362000       6.649000 0.2431000       4.851000       1.249000       1.798000       1.272000
  1 1 1      14   -3   16 o    6.670000      0.1989000       6.716000 0.2574000       6.624000      0.3033000      0.9201000E-01  0.3978000
  1 1 1      14   -3   17 o    9.828000      0.1757000       10.01000 0.2306000       9.645000      0.2650000      0.3671000      0.3513000
  1 1 1      14   -3   18 o    13.17000      0.1883000       13.20000 0.2646000       13.15000      0.2679000      0.5502000E-01  0.3765000
  1 1 1      14   -3   19 o    4.704000      0.1211000       4.855000 0.1726000       4.553000      0.1699000      0.3018000      0.2422000
  1 1 1      14   -3   20 o    5.320000      0.1543000       5.707000 0.2534000       4.933000      0.1762000      0.7740000      0.3086000
  1 1 1      14   -3   21 o    8.463000      0.1763000       8.696000 0.2934000       8.230000      0.1955000      0.4664000      0.3526000
  1 1 1      14   -3   22 o    6.646000      0.1476000       6.645000 0.2222000       6.647000      0.1942000     -0.2426000E-02  0.2951000
  1 1 1      14   -3   23 o    15.97000      0.2307000       16.02000 0.3339000       15.92000      0.3183000      0.1030000      0.4613000
  1 1 1      14   -3   24 o    2.295000      0.4129000       1.986000 0.6774000       2.604000      0.4722000     -0.6178000      0.8258000
  1 1 1      14   -3   25 o    1.097000      0.3597000      0.9802000 0.4809000       1.213000      0.5352000     -0.2332000      0.7195000
  1 1 1      14   -3   26 o    4.445000      0.3101000       4.102000 0.5201000       4.788000      0.3378000     -0.6861000      0.6202000
  1 1 1      14   -3   27 o    3.152000      0.4403000       2.698000 0.7689000       3.607000      0.4295000     -0.9085000      0.8807000
  1 1 1      14   -3   28 o    2.438000      0.4605000       2.268000 0.7127000       2.609000      0.5833000     -0.3417000      0.9209000
  1 1 1      14   -3   29 o    5.457000      0.2125000       5.119000 0.3303000       5.795000      0.2674000     -0.6754000      0.4250000
  1 1 1      14   -3   30 o    1.933000      0.4389000       2.195000 0.6357000       1.671000      0.6052000      0.5240000      0.8777000
  1 1 1      14   -3   31 o    4.668000      0.3298000       4.196000 0.5941000       5.139000      0.2863000     -0.9431000      0.6595000
  1 1 1      14   -3   32 o    1.427000      0.4037000       1.171000 0.5354000       1.682000      0.6045000     -0.5114000      0.8075000
  1 1 1      14   -3   33 o    2.084000      0.4140000       2.695000 0.5726000       1.472000      0.5980000       1.223000      0.8279000
  1 1 1      14   -2    0 o    5.159000      0.2106000       5.407000 0.2996000       4.911000      0.2961000      0.4955000      0.4212000
  1 1 1      14   -2    1 o    9.095000      0.1839000       9.521000 0.2667000       8.669000      0.2532000      0.8528000      0.3678000
  1 1 1      14   -2    2 o    6.550000      0.1825000       6.572000 0.2651000       6.529000      0.2511000      0.4357000E-01  0.3651000
  1 1 1      14   -2    3 o    18.01000      0.2633000       18.10000 0.3762000       17.92000      0.3684000      0.1799000      0.5266000
  1 1 1      14   -2    4 o    8.740000      0.1743000       8.598000 0.2544000       8.883000      0.2382000     -0.2848000      0.3486000
  1 1 1      14   -2    5 o    15.40000      0.3255000       15.53000 0.4658000       15.26000      0.4548000      0.2627000      0.6511000
  1 1 1      14   -2    6 o    3.202000      0.2380000       3.183000 0.3475000       3.221000      0.3254000     -0.3773000E-01  0.4761000
  1 1 1      14   -2    7 o    9.001000      0.1694000       8.847000 0.2373000       9.155000      0.2417000     -0.3074000      0.3388000
  1 1 1      14   -2    8 o    7.910000      0.2137000       8.128000 0.3119000       7.691000      0.2922000      0.4367000      0.4274000
  1 1 1      14   -2    9 o    7.834000      0.2074000       8.217000 0.3076000       7.451000      0.2782000      0.7661000      0.4148000
  1 1 1      14   -2   10 o    15.10000      0.2201000       15.18000 0.3107000       15.02000      0.3117000      0.1543000      0.4401000
  1 1 1      14   -2   11 o    5.075000      0.1511000       4.935000 0.2094000       5.215000      0.2179000     -0.2797000      0.3022000
  1 1 1      14   -2   12 o    5.629000      0.1404000       5.589000 0.1928000       5.670000      0.2042000     -0.8068000E-01  0.2808000
  1 1 1      14   -2   13 o    2.370000      0.2518000       2.341000 0.3362000       2.399000      0.3749000     -0.5820000E-01  0.5036000
  1 1 1      14   -2   14 f    2.124000      0.3484000       1.834000 0.4597000       2.413000      0.5236000     -0.5785000      0.6968000
  1 1 1      14   -2   15 o    3.441000      0.2688000       3.666000 0.2943000       3.216000      0.4498000      0.4498000      0.5376000
  1 1 1      14   -2   16 f    10.06000      0.2116000       9.640000 0.2556000       10.47000      0.3373000     -0.8331000      0.4232000
  1 1 1      14   -2   17 o    6.042000      0.1618000       6.217000 0.2014000       5.867000      0.2533000      0.3499000      0.3236000
  1 1 1      14   -2   18 o    10.64000      0.1563000       10.39000 0.2149000       10.89000      0.2271000     -0.5068000      0.3127000
  1 1 1      14   -2   19 o    11.23000      0.1618000       11.13000 0.2262000       11.33000      0.2315000     -0.2062000      0.3237000
  1 1 1      14   -2   20 o    10.95000      0.1605000       10.71000 0.2234000       11.18000      0.2305000     -0.4712000      0.3210000
  1 1 1      14   -2   21 o    3.685000      0.1480000       3.644000 0.2151000       3.726000      0.2032000     -0.8158000E-01  0.2959000
  1 1 1      14   -2   22 o    11.51000      0.1697000       11.46000 0.2414000       11.57000      0.2386000     -0.1008000      0.3394000
  1 1 1      14   -2   23 o    13.83000      0.2002000       13.69000 0.2840000       13.96000      0.2821000     -0.2669000      0.4003000
  1 1 1      14   -2   24 o    7.193000      0.1833000       7.032000 0.2845000       7.354000      0.2311000     -0.3216000      0.3665000
  1 1 1      14   -2   25 o    2.362000      0.4143000       2.370000 0.6146000       2.353000      0.5558000      0.1724000E-01  0.8286000
  1 1 1      14   -2   26 o    6.111000      0.2375000       5.647000 0.3860000       6.575000      0.2768000     -0.9281000      0.4750000
  1 1 1      14   -2   27 o    3.928000      0.2851000       3.932000 0.4396000       3.925000      0.3631000      0.7850000E-02  0.5701000
  1 1 1      14   -2   28 o    3.112000      0.3256000       2.821000 0.5351000       3.403000      0.3712000     -0.5821000      0.6513000
  1 1 1      14   -2   29 o    3.136000      0.2747000       2.940000 0.4350000       3.333000      0.3355000     -0.3932000      0.5494000
  1 1 1      14   -2   30 o    5.911000      0.2512000       5.911000 0.2512000                  ?              ?              ?              ?
  1 1 1      14   -2   31 o    3.729000      0.2356000       3.782000 0.3279000       3.676000      0.3383000      0.1060000      0.4711000
  1 1 1      14   -2   32 o    3.406000      0.3708000                  ?       ?   3.406000      0.3708000                  ?              ?
  1 1 1      14   -2   33 o    3.764000      0.2703000       4.198000 0.3831000       3.331000      0.3814000      0.8674000      0.5406000
  1 1 1      14   -2   34 o    1.499000      0.4168000       1.720000 0.6243000       1.278000      0.5524000      0.4415000      0.8336000
  1 1 1      14   -1    0 o    7.809000      0.2546000       8.134000 0.3590000       7.484000      0.3611000      0.6500000      0.5092000
  1 1 1      14   -1    1 o    5.469000      0.1986000       4.846000 0.3063000       6.092000      0.2530000      -1.246000      0.3973000
  1 1 1      14   -1    2 o    10.27000      0.1884000       10.35000 0.2715000       10.19000      0.2614000      0.1603000      0.3769000
  1 1 1      14   -1    3 o    13.18000      0.2956000       13.09000 0.4178000       13.27000      0.4182000     -0.1897000      0.5912000
  1 1 1      14   -1    4 o    13.79000      0.3036000       13.67000 0.4300000       13.92000      0.4286000     -0.2538000      0.6071000
  1 1 1      14   -1    5 o    10.70000      0.1832000       10.98000 0.2685000       10.42000      0.2494000      0.5572000      0.3665000
  1 1 1      14   -1    6 o    10.22000      0.1757000       10.52000 0.2565000       9.927000      0.2402000      0.5889000      0.3514000
  1 1 1      14   -1    7 o    9.441000      0.2329000       9.180000 0.3359000       9.701000      0.3228000     -0.5216000      0.4659000
  1 1 1      14   -1    8 o    5.741000      0.2177000       6.074000 0.3244000       5.408000      0.2904000      0.6662000      0.4353000
  1 1 1      14   -1    9 o    9.401000      0.1609000       9.514000 0.2318000       9.287000      0.2232000      0.2263000      0.3218000
  1 1 1      14   -1   10 o    9.573000      0.1586000       9.603000 0.2276000       9.542000      0.2210000      0.6110000E-01  0.3172000
  1 1 1      14   -1   11 o    10.82000      0.2011000       10.66000 0.2351000       10.98000      0.3263000     -0.3163000      0.4022000
  1 1 1      14   -1   12 o    2.947000      0.1852000       3.062000 0.2524000       2.832000      0.2709000      0.2304000      0.3703000
  1 1 1      14   -1   13 o    3.209000      0.1702000       3.158000 0.2351000       3.261000      0.2462000     -0.1023000      0.3405000
  1 1 1      14   -1   14 o    3.958000      0.1652000       3.906000 0.2143000       4.010000      0.2516000     -0.1044000      0.3304000
  1 1 1      14   -1   15 o    4.431000      0.2067000       4.342000 0.2353000       4.520000      0.3400000     -0.1779000      0.4135000
  1 1 1      14   -1   16 o    9.263000      0.2040000       8.947000 0.2507000       9.580000      0.3219000     -0.6335000      0.4080000
  1 1 1      14   -1   17 o    6.134000      0.1694000       5.798000 0.1817000       6.470000      0.2860000     -0.6720000      0.3389000
  1 1 1      14   -1   18 o    11.43000      0.1634000       11.44000 0.2301000       11.42000      0.2320000      0.2043000E-01  0.3267000
  1 1 1      14   -1   19 o    10.19000      0.1496000       10.23000 0.2123000       10.14000      0.2108000      0.8901000E-01  0.2992000
  1 1 1      14   -1   20 o    20.00000      0.2720000       20.18000 0.3882000       19.82000      0.3811000      0.3574000      0.5441000
  1 1 1      14   -1   21 o    7.742000      0.1273000       7.640000 0.1794000       7.844000      0.1808000     -0.2043000      0.2547000
  1 1 1      14   -1   22 o    9.119000      0.1397000       8.876000 0.1946000       9.362000      0.2005000     -0.4865000      0.2795000
  1 1 1      14   -1   23 o    9.659000      0.1487000       9.729000 0.2147000       9.590000      0.2059000      0.1395000      0.2975000
  1 1 1      14   -1   24 o    4.027000      0.2089000       4.167000 0.3237000       3.888000      0.2643000      0.2790000      0.4179000
  1 1 1      14   -1   25 o    3.541000      0.2475000       3.484000 0.3739000       3.599000      0.3242000     -0.1158000      0.4949000
  1 1 1      14   -1   26 o    4.887000      0.2239000       4.892000 0.3588000       4.882000      0.2680000      0.1005000E-01  0.4478000
  1 1 1      14   -1   27 o    3.156000      0.2808000       2.929000 0.4581000       3.384000      0.3248000     -0.4556000      0.5616000
  1 1 1      14   -1   28 o    1.226000      0.3530000       1.376000 0.5331000       1.076000      0.4627000      0.2999000      0.7059000
  1 1 1      14   -1   29 o    8.823000      0.1965000       8.803000 0.2803000       8.842000      0.2754000     -0.3926000E-01  0.3930000
  1 1 1      14   -1   30 o    10.26000      0.2172000       10.32000 0.3109000       10.19000      0.3033000      0.1314000      0.4343000
  1 1 1      14   -1   31 f    4.977000      0.1871000       5.053000 0.2827000       4.902000      0.2453000      0.1505000      0.3743000
  1 1 1      14   -1   32 o    3.277000      0.3636000                  ?       ?   3.277000      0.3636000                  ?              ?
  1 1 1      14   -1   33 o    2.104000      0.3862000       1.769000 0.5884000       2.440000      0.5003000     -0.6708000      0.7724000
  1 1 1      14   -1   34 o    2.663000      0.3549000       2.395000 0.5397000       2.930000      0.4611000     -0.5352000      0.7099000
  1 1 1      14    0    0 o    14.71000      0.2269000       14.81000 0.3217000       14.61000      0.3200000      0.2039000      0.4538000
  1 1 1      14    0    1 o    16.11000      0.2408000       16.00000 0.3383000       16.21000      0.3429000     -0.2146000      0.4817000
  1 1 1      14    0    3 o    2.623000      0.4189000       3.144000 0.5363000       2.103000      0.6436000       1.040000      0.8378000
  1 1 1      14    0    4 o    8.833000      0.2408000                  ?       ?   8.833000      0.2408000                  ?              ?
  1 1 1      14    0    5 o    9.846000      0.2193000       9.870000 0.3658000       9.822000      0.2420000      0.4803000E-01  0.4386000
  1 1 1      14    0    6 o    9.170000      0.2370000       8.959000 0.3443000       9.380000      0.3259000     -0.4211000      0.4741000
  1 1 1      14    0    7 o    16.97000      0.2444000       16.60000 0.3414000       17.34000      0.3497000     -0.7397000      0.4887000
  1 1 1      14    0    8 o    6.335000      0.1540000       6.162000 0.2258000       6.507000      0.2096000     -0.3445000      0.3081000
  1 1 1      14    0    9 o    9.379000      0.1601000       9.346000 0.2291000       9.413000      0.2236000     -0.6717000E-01  0.3202000
  1 1 1      14    0   10 o    8.287000      0.1483000       8.106000 0.2120000       8.469000      0.2075000     -0.3630000      0.2966000
  1 1 1      14    0   11 o    14.79000      0.2117000       15.21000 0.3076000       14.38000      0.2911000      0.8304000      0.4235000
  1 1 1      14    0   12 o    3.958000      0.1910000       3.816000 0.3295000       4.100000      0.1933000     -0.2837000      0.3820000
  1 1 1      14    0   13 o    6.230000      0.1240000       6.443000 0.1807000       6.017000      0.1698000      0.4255000      0.2480000
  1 1 1      14    0   14 o    7.555000      0.1270000       7.898000 0.1854000       7.212000      0.1737000      0.6858000      0.2541000
  1 1 1      14    0   15 o    2.995000      0.2003000       3.023000 0.2524000       2.966000      0.3109000      0.5758000E-01  0.4005000
  1 1 1      14    0   16 o    2.593000      0.4269000       3.106000 0.2838000       2.081000      0.8052000       1.025000      0.8537000
  1 1 1      14    0   17 o    10.16000      0.1778000       9.972000 0.2836000       10.35000      0.2144000     -0.3765000      0.3555000
  1 1 1      14    0   18 o    5.165000      0.1307000       5.252000 0.1939000       5.077000      0.1755000      0.1746000      0.2615000
  1 1 1      14    0   27 o    6.027000      0.1328000       6.001000 0.2015000       6.053000      0.1732000     -0.5221000E-01  0.2657000
  1 1 1      14    0   28 o    1.463000      0.3065000       1.510000 0.4357000       1.415000      0.4312000      0.9491000E-01  0.6130000
  1 1 1      14    0   29 o    6.933000      0.1694000       6.877000 0.2320000       6.988000      0.2469000     -0.1106000      0.3388000
  1 1 1      14    0   30 o    6.712000      0.1862000       6.772000 0.2530000       6.652000      0.2733000      0.1207000      0.3724000
  1 1 1      14    0   31 o    1.716000      0.3203000       2.313000 0.4169000       1.119000      0.4864000       1.194000      0.6406000
  1 1 1      14    0   32 o    1.390000      0.3745000       1.197000 0.5092000       1.583000      0.5493000     -0.3860000      0.7490000
  1 1 1      14    0   33 o    5.373000      0.1795000       5.305000 0.2650000       5.441000      0.2421000     -0.1360000      0.3589000
  1 1 1      14    0   34 o    2.740000      0.3359000       2.438000 0.5355000       3.043000      0.4058000     -0.6050000      0.6719000
  1 1 1      14    1    0 o    10.85000      0.1904000       10.87000 0.2704000       10.82000      0.2682000      0.4513000E-01  0.3808000
  1 1 1      14    1    1 o    13.68000      0.2145000       13.69000 0.3028000       13.68000      0.3038000      0.6869000E-02  0.4290000
  1 1 1      14    1    2 o    8.821000      0.3586000       8.821000 0.3586000                  ?              ?              ?              ?
  1 1 1      14    1    3 f    7.202000      0.1687000       7.187000 0.2342000       7.218000      0.2428000     -0.3128000E-01  0.3373000
  1 1 1      14    1    4 o    18.69000      0.3781000                  ?       ?   18.69000      0.3781000                  ?              ?
  1 1 1      14    1    5 o    14.25000      0.3001000       14.15000 0.4205000       14.35000      0.4284000     -0.1962000      0.6003000
  1 1 1      14    1    6 o    3.460000      0.1962000       3.486000 0.2870000       3.435000      0.2678000      0.5048000E-01  0.3925000
  1 1 1      14    1    7 f    4.835000      0.2049000       4.947000 0.3386000       4.723000      0.2309000      0.2242000      0.4098000
  1 1 1      14    1    8 o    5.811000      0.1845000       5.355000 0.2297000       6.266000      0.2887000     -0.9112000      0.3690000
  1 1 1      14    1    9 o    2.661000      0.2426000       2.567000 0.3726000       2.755000      0.3108000     -0.1871000      0.4852000
  1 1 1      14    1   10 o    9.113000      0.1551000       8.784000 0.2192000       9.442000      0.2196000     -0.6571000      0.3103000
  1 1 1      14    1   11 o    4.459000      0.1471000       4.729000 0.2063000       4.188000      0.2097000      0.5410000      0.2942000
  1 1 1      14    1   12 o    2.211000      0.3008000       1.897000 0.5397000       2.525000      0.2659000     -0.6275000      0.6017000
  1 1 1      14    1   13 o    1.376000      0.2898000       1.460000 0.4207000       1.292000      0.3986000      0.1681000      0.5796000
  1 1 1      14    1   14 o    1.345000      0.2672000       1.319000 0.3995000       1.371000      0.3549000     -0.5269000E-01  0.5344000
  1 1 1      14    1   15 o    5.579000      0.1197000       5.709000 0.1607000       5.450000      0.1774000      0.2592000      0.2394000
  1 1 1      14    1   16 o    2.760000      0.4227000       2.523000 0.7938000       2.996000      0.2909000     -0.4730000      0.8454000
  1 1 1      14    1   28 o    2.069000      0.2385000       2.059000 0.3019000       2.080000      0.3694000     -0.2029000E-01  0.4771000
  1 1 1      14    1   29 o    6.850000      0.1609000       6.628000 0.1849000       7.072000      0.2634000     -0.4437000      0.3218000
  1 1 1      14    1   30 o    1.710000      0.3673000       1.790000 0.4511000       1.631000      0.5799000      0.1596000      0.7347000
  1 1 1      14    1   31 o    7.071000      0.2236000       6.679000 0.3074000       7.462000      0.3248000     -0.7821000      0.4473000
  1 1 1      14    1   32 o    1.833000      0.4021000       1.648000 0.5363000       2.018000      0.5993000     -0.3699000      0.8042000
  1 1 1      14    1   33 o    4.213000      0.2193000       4.316000 0.2891000       4.110000      0.3299000      0.2052000      0.4386000
  1 1 1      14    1   34 o    1.443000      0.3998000       1.444000 0.5604000       1.442000      0.5703000      0.2105000E-02  0.7995000
  1 1 1      14    1   35 o    1.850000      0.4534000       1.678000 0.6745000       2.023000      0.6061000     -0.3447000      0.9068000
  1 1 1      14    2    0 o    4.711000      0.1988000       4.729000 0.2782000       4.692000      0.2841000      0.3630000E-01  0.3976000
  1 1 1      14    2    1 o    5.919000      0.2569000       6.054000 0.3576000       5.783000      0.3688000      0.2710000      0.5137000
  1 1 1      14    2    2 o    4.261000      0.3096000       4.328000 0.4329000       4.193000      0.4426000      0.1348000      0.6191000
  1 1 1      14    2    3 o    10.85000      0.1851000       10.81000 0.2618000       10.90000      0.2616000     -0.8331000E-01  0.3701000
  1 1 1      14    2    4 o    11.08000      0.2570000       10.75000 0.3536000       11.41000      0.3730000     -0.6673000      0.5139000
  1 1 1      14    2    5 o    15.35000      0.3190000       15.09000 0.4426000       15.62000      0.4595000     -0.5336000      0.6380000
  1 1 1      14    2    6 o    5.716000      0.1586000       5.744000 0.2250000       5.688000      0.2235000      0.5565000E-01  0.3171000
  1 1 1      14    2    7 o    10.24000      0.1688000       10.02000 0.2358000       10.45000      0.2417000     -0.4284000      0.3377000
  1 1 1      14    2    8 o    3.012000      0.2188000       3.525000 0.2457000       2.498000      0.3622000       1.027000      0.4376000
  1 1 1      14    2    9 o    4.163000      0.1582000       4.150000 0.2198000       4.176000      0.2275000     -0.2610000E-01  0.3164000
  1 1 1      14    2   10 o    3.405000      0.2268000       3.963000 0.3490000       2.846000      0.2897000       1.117000      0.4536000
  1 1 1      14    2   11 o    6.480000      0.1369000       6.600000 0.1990000       6.360000      0.1882000      0.2404000      0.2739000
  1 1 1      14    2   12 o    6.693000      0.1332000       6.370000 0.1917000       7.016000      0.1850000     -0.6463000      0.2664000
  1 1 1      14    2   13 o    7.399000      0.1299000       7.403000 0.1871000       7.394000      0.1804000      0.9755000E-02  0.2599000
  1 1 1      14    2   14 o    4.358000      0.1182000       4.468000 0.1731000       4.249000      0.1610000      0.2193000      0.2363000
  1 1 1      14    2   15 o    4.353000      0.1156000       4.412000 0.1810000       4.294000      0.1438000      0.1180000      0.2312000
  1 1 1      14    2   28 o    7.040000      0.1780000       7.199000 0.2404000       6.881000      0.2626000      0.3183000      0.3560000
  1 1 1      14    2   29 o    6.796000      0.2006000       6.932000 0.2657000       6.660000      0.3005000      0.2722000      0.4011000
  1 1 1      14    2   30 o    2.260000      0.3291000       2.263000 0.4047000       2.256000      0.5192000      0.6257000E-02  0.6583000
  1 1 1      14    2   31 o    9.161000      0.2203000       9.161000 0.2203000                  ?              ?              ?              ?
  1 1 1      14    2   32 o    1.711000      0.4062000       1.590000 0.5367000       1.832000      0.6099000     -0.2421000      0.8124000
  1 1 1      14    2   33 o    5.573000      0.1906000       5.716000 0.2591000       5.429000      0.2796000      0.2870000      0.3812000
  1 1 1      14    2   34 o    1.648000      0.4033000       1.945000 0.5722000       1.351000      0.5686000      0.5943000      0.8067000
  1 1 1      14    2   35 o    3.183000      0.3411000       4.065000 0.3513000       2.302000      0.5847000       1.762000      0.6822000
  1 1 1      14    3    0 o    4.075000      0.2152000       4.050000 0.3046000       4.101000      0.3042000     -0.5112000E-01  0.4304000
  1 1 1      14    3    1 o    6.773000      0.2473000       6.652000 0.3495000       6.894000      0.3499000     -0.2421000      0.4946000
  1 1 1      14    3    2 o    6.390000      0.1710000       6.790000 0.2392000       5.991000      0.2446000      0.7996000      0.3421000
  1 1 1      14    3    3 o    11.50000      0.1897000       11.46000 0.2674000       11.54000      0.2691000     -0.8045000E-01  0.3794000
  1 1 1      14    3    4 o    7.005000      0.2230000       6.923000 0.3130000       7.088000      0.3176000     -0.1654000      0.4460000
  1 1 1      14    3    5 o    5.573000      0.1717000       5.605000 0.2460000       5.541000      0.2397000      0.6404000E-01  0.3434000
  1 1 1      14    3    6 o    5.142000      0.1657000       5.348000 0.2286000       4.936000      0.2399000      0.4122000      0.3313000
  1 1 1      14    3    7 o    13.47000      0.2017000       13.63000 0.2870000       13.31000      0.2833000      0.3192000      0.4033000
  1 1 1      14    3    8 o    5.234000      0.1514000       5.153000 0.2092000       5.315000      0.2188000     -0.1620000      0.3027000
  1 1 1      14    3    9 o    5.809000      0.1431000       5.842000 0.1957000       5.776000      0.2088000      0.6590000E-01  0.2862000
  1 1 1      14    3   10 o    13.87000      0.2008000       13.95000 0.2852000       13.79000      0.2828000      0.1545000      0.4017000
  1 1 1      14    3   11 f    5.011000      0.1334000       4.920000 0.1872000       5.103000      0.1901000     -0.1826000      0.2668000
  1 1 1      14    3   12 f    4.031000      0.1866000       3.759000 0.3154000       4.304000      0.1995000     -0.5448000      0.3731000
  1 1 1      14    3   13 o    6.146000      0.1201000       6.064000 0.1688000       6.227000      0.1709000     -0.1623000      0.2402000
  1 1 1      14    3   14 o    13.25000      0.2289000       13.23000 0.3755000       13.26000      0.2620000     -0.2842000E-01  0.4579000
  1 1 1      14    3   28 o    5.240000      0.1253000       5.406000 0.1680000       5.074000      0.1859000      0.3318000      0.2506000
  1 1 1      14    3   29 o    4.430000      0.1566000       4.260000 0.2084000       4.599000      0.2338000     -0.3395000      0.3132000
  1 1 1      14    3   30 o    4.247000      0.1855000       4.289000 0.2360000       4.206000      0.2863000      0.8346000E-01  0.3710000
  1 1 1      14    3   31 o    6.253000      0.2155000       6.253000 0.2155000                  ?              ?              ?              ?
  1 1 1      14    3   32 o    5.688000      0.1912000       6.134000 0.2335000       5.241000      0.3027000      0.8925000      0.3823000
  1 1 1      14    3   33 o    4.984000      0.3047000                  ?       ?   4.984000      0.3047000                  ?              ?
  1 1 1      14    3   34 o    3.248000      0.3050000       3.452000 0.3784000       3.043000      0.4784000      0.4088000      0.6100000
  1 1 1      14    3   35 o    3.222000      0.3071000       3.206000 0.4355000       3.237000      0.4332000     -0.3118000E-01  0.6142000
  1 1 1      14    4    0 o    9.197000      0.2556000       9.435000 0.3675000       8.958000      0.3552000      0.4774000      0.5111000
  1 1 1      14    4    1 o    6.037000      0.2560000       5.869000 0.3635000       6.204000      0.3604000     -0.3348000      0.5119000
  1 1 1      14    4    2 o    11.29000      0.1895000       11.25000 0.2682000       11.33000      0.2679000     -0.8279000E-01  0.3791000
  1 1 1      14    4    3 o    7.681000      0.2368000       7.681000 0.2368000                  ?              ?              ?              ?
  1 1 1      14    4    4 o    10.04000      0.2464000       10.05000 0.3449000       10.02000      0.3520000      0.3512000E-01  0.4928000
  1 1 1      14    4    5 o    4.966000      0.2484000                  ?       ?   4.966000      0.2484000                  ?              ?
  1 1 1      14    4    6 o    8.176000      0.1590000       8.319000 0.2260000       8.034000      0.2237000      0.2849000      0.3180000
  1 1 1      14    4    7 f    7.881000      0.1557000       7.699000 0.2201000       8.063000      0.2202000     -0.3642000      0.3113000
  1 1 1      14    4    8 o    13.22000      0.1967000       13.03000 0.2743000       13.40000      0.2821000     -0.3727000      0.3935000
  1 1 1      14    4    9 o    8.129000      0.1834000       7.866000 0.2983000       8.392000      0.2136000     -0.5264000      0.3669000
  1 1 1      14    4   10 o    16.46000      0.2324000       16.45000 0.3289000       16.47000      0.3284000     -0.1104000E-01  0.4648000
  1 1 1      14    4   11 o    6.929000      0.1362000       6.985000 0.1931000       6.874000      0.1920000      0.1111000      0.2723000
  1 1 1      14    4   12 o    8.555000      0.1411000       8.501000 0.1988000       8.610000      0.2004000     -0.1091000      0.2823000
  1 1 1      14    4   13 o   0.7683000      0.2472000      0.6733000 0.3208000      0.8633000      0.3763000     -0.1900000      0.4945000
  1 1 1      14    4   14 o    10.13000      0.2079000       10.13000 0.2961000       10.13000      0.2919000     -0.1221000E-03  0.4158000
  1 1 1      14    4   15 o    5.005000      0.1205000       4.965000 0.1987000       5.046000      0.1364000     -0.8099000E-01  0.2410000
  1 1 1      14    4   27 o    5.620000      0.1392000       5.783000 0.1867000       5.458000      0.2066000      0.3245000      0.2785000
  1 1 1      14    4   28 o    5.084000      0.1426000       5.217000 0.1911000       4.950000      0.2117000      0.2668000      0.2852000
  1 1 1      14    4   29 o    7.922000      0.2060000       7.719000 0.1954000       8.124000      0.3627000     -0.4047000      0.4120000
  1 1 1      14    4   30 o    3.436000      0.2280000       3.257000 0.3049000       3.614000      0.3390000     -0.3574000      0.4559000
  1 1 1      14    4   31 o    2.251000      0.3371000       3.079000 0.3520000       1.424000      0.5749000       1.655000      0.6741000
  1 1 1      14    4   32 o    5.798000      0.1847000       5.801000 0.2406000       5.795000      0.2803000      0.5508000E-02  0.3694000
  1 1 1      14    4   33 o    2.935000      0.4961000                  ?       ?   2.935000      0.4961000                  ?              ?
  1 1 1      14    4   34 o    4.753000      0.2311000       4.744000 0.3159000       4.762000      0.3375000     -0.1757000E-01  0.4623000
  1 1 1      14    4   35 o    2.879000      0.3749000       3.239000 0.4674000       2.519000      0.5862000      0.7192000      0.7497000
  1 1 1      14    5    0 o    9.859000      0.2585000       9.739000 0.3650000       9.979000      0.3661000     -0.2398000      0.5169000
  1 1 1      14    5    1 o    17.49000      0.3616000       16.98000 0.5004000       18.00000      0.5221000      -1.020000      0.7232000
  1 1 1      14    5    2 o    5.314000      0.1840000       5.372000 0.2576000       5.257000      0.2629000      0.1151000      0.3680000
  1 1 1      14    5    3 o    3.276000      0.3396000       3.276000 0.3396000                  ?              ?              ?              ?
  1 1 1      14    5    4 o    14.05000      0.3016000       13.73000 0.4160000       14.36000      0.4367000     -0.6330000      0.6031000
  1 1 1      14    5    5 o    10.44000      0.2509000                  ?       ?   10.44000      0.2509000                  ?              ?
  1 1 1      14    5    6 o    8.729000      0.1624000       8.706000 0.2303000       8.753000      0.2289000     -0.4710000E-01  0.3247000
  1 1 1      14    5    7 o    14.23000      0.2106000       14.34000 0.3001000       14.12000      0.2955000      0.2273000      0.4211000
  1 1 1      14    5    8 o    10.20000      0.1669000       10.11000 0.2336000       10.29000      0.2383000     -0.1858000      0.3337000
  1 1 1      14    5    9 o    7.405000      0.1467000       6.975000 0.2023000       7.835000      0.2126000     -0.8596000      0.2935000
  1 1 1      14    5   10 o    3.980000      0.1645000       4.086000 0.2209000       3.875000      0.2438000      0.2109000      0.3290000
  1 1 1      14    5   11 o    7.197000      0.1382000       7.061000 0.1960000       7.333000      0.1949000     -0.2725000      0.2764000
  1 1 1      14    5   12 o    5.222000      0.1314000       5.155000 0.1868000       5.289000      0.1849000     -0.1338000      0.2629000
  1 1 1      14    5   13 f    5.300000      0.1221000       5.226000 0.1739000       5.374000      0.1715000     -0.1481000      0.2442000
  1 1 1      14    5   14 o    3.543000      0.1268000       3.557000 0.1851000       3.528000      0.1732000      0.2887000E-01  0.2535000
  1 1 1      14    5   15 o    2.529000      0.1815000       2.716000 0.3218000       2.343000      0.1681000      0.3726000      0.3631000
  1 1 1      14    5   16 o    2.611000      0.2006000       2.617000 0.2824000       2.604000      0.2850000      0.1308000E-01  0.4013000
  1 1 1      14    5   25 f    2.190000      0.4733000       2.217000 0.7825000       2.162000      0.5327000      0.5431000E-01  0.9466000
  1 1 1      14    5   26 f    3.423000      0.2585000       3.069000 0.3776000       3.778000      0.3532000     -0.7082000      0.5170000
  1 1 1      14    5   27 o    4.228000      0.2050000       4.525000 0.2462000       3.932000      0.3278000      0.5930000      0.4100000
  1 1 1      14    5   28 o    3.576000      0.2170000       3.554000 0.2921000       3.599000      0.3209000     -0.4513000E-01  0.4339000
  1 1 1      14    5   29 o    6.613000      0.1548000       6.722000 0.2095000       6.505000      0.2281000      0.2172000      0.3097000
  1 1 1      14    5   30 o    4.313000      0.2001000       4.329000 0.2559000       4.298000      0.3076000      0.3124000E-01  0.4001000
  1 1 1      14    5   31 o    1.600000      0.4040000       1.523000 0.5485000       1.676000      0.5934000     -0.1525000      0.8081000
  1 1 1      14    5   32 o    2.619000      0.3676000       2.398000 0.5059000       2.840000      0.5333000     -0.4419000      0.7351000
  1 1 1      14    5   33 f    6.211000      0.1985000       6.263000 0.2655000       6.159000      0.2952000      0.1038000      0.3970000
  1 1 1      14    5   34 o    3.342000      0.3375000       4.000000 0.3828000       2.685000      0.5559000       1.315000      0.6750000
  1 1 1      14    5   35 o    2.954000      0.3377000       3.332000 0.3945000       2.577000      0.5482000      0.7546000      0.6754000
  1 1 1      14    6    0 o    5.601000      0.2660000       5.743000 0.3766000       5.459000      0.3757000      0.2838000      0.5319000
  1 1 1      14    6    1 o    14.64000      0.3164000       14.82000 0.4517000       14.46000      0.4430000      0.3515000      0.6327000
  1 1 1      14    6    2 o    6.997000      0.1726000       6.928000 0.2422000       7.065000      0.2460000     -0.1372000      0.3452000
  1 1 1      14    6    3 o    2.845000      0.2671000       2.799000 0.4004000       2.891000      0.3537000     -0.9188000E-01  0.5342000
  1 1 1      14    6    4 o    6.122000      0.2374000       6.306000 0.3314000       5.938000      0.3399000      0.3680000      0.4747000
  1 1 1      14    6    5 f    12.12000      0.1921000       12.02000 0.2696000       12.22000      0.2738000     -0.1924000      0.3843000
  1 1 1      14    6    6 o    11.06000      0.1811000       10.94000 0.2541000       11.19000      0.2580000     -0.2559000      0.3621000
  1 1 1      14    6    7 o    6.657000      0.1565000       6.884000 0.2201000       6.430000      0.2227000      0.4545000      0.3131000
  1 1 1      14    6    8 o    5.293000      0.1589000       5.123000 0.2251000       5.464000      0.2242000     -0.3411000      0.3177000
  1 1 1      14    6    9 o    3.417000      0.1955000       3.367000 0.2814000       3.467000      0.2715000     -0.9983000E-01  0.3910000
  1 1 1      14    6   10 o    4.088000      0.1652000       4.217000 0.2250000       3.960000      0.2419000      0.2571000      0.3304000
  1 1 1      14    6   11 o   0.9739000      0.2971000       1.091000 0.4480000      0.8570000      0.3903000      0.2338000      0.5942000
  1 1 1      14    6   12 o    9.141000      0.1473000       9.180000 0.2081000       9.101000      0.2084000      0.7959000E-01  0.2945000
  1 1 1      14    6   13 o    7.183000      0.1267000       7.270000 0.1804000       7.095000      0.1780000      0.1748000      0.2534000
  1 1 1      14    6   14 o    4.998000      0.1117000       5.103000 0.1594000       4.894000      0.1565000      0.2084000      0.2233000
  1 1 1      14    6   15 o    6.299000      0.1091000       6.345000 0.1531000       6.254000      0.1554000      0.9013000E-01  0.2181000
  1 1 1      14    6   16 o    7.669000      0.1638000       7.624000 0.1849000       7.714000      0.2705000     -0.9011000E-01  0.3276000
  1 1 1      14    6   17 o    9.322000      0.1768000       9.109000 0.2736000       9.536000      0.2241000     -0.4276000      0.3537000
  1 1 1      14    6   18 o    8.489000      0.1582000       8.666000 0.2603000       8.312000      0.1800000      0.3533000      0.3165000
  1 1 1      14    6   19 o   0.9003000      0.2604000      0.8084000 0.3632000      0.9922000      0.3733000     -0.1838000      0.5208000
  1 1 1      14    6   20 o    3.538000      0.1318000       3.582000 0.1963000       3.494000      0.1760000      0.8831000E-01  0.2636000
  1 1 1      14    6   21 o    8.277000      0.1502000       8.249000 0.2389000       8.306000      0.1820000     -0.5697000E-01  0.3003000
  1 1 1      14    6   22 o    3.590000      0.1247000       3.944000 0.1769000       3.236000      0.1758000      0.7085000      0.2494000
  1 1 1      14    6   23 o    3.728000      0.1389000       3.639000 0.2040000       3.816000      0.1886000     -0.1774000      0.2778000
  1 1 1      14    6   24 f    2.891000      0.2696000       3.231000 0.3421000       2.552000      0.4167000      0.6793000      0.5391000
  1 1 1      14    6   25 o    5.757000      0.2057000       5.546000 0.2887000       5.969000      0.2932000     -0.4229000      0.4115000
  1 1 1      14    6   26 o    3.122000      0.3285000       3.221000 0.4056000       3.024000      0.5169000      0.1968000      0.6570000
  1 1 1      14    6   27 o    2.457000      0.3976000       3.146000 0.4804000       1.768000      0.6338000       1.378000      0.7953000
  1 1 1      14    6   28 o    7.047000      0.1671000       7.167000 0.2346000       6.926000      0.2379000      0.2409000      0.3341000
  1 1 1      14    6   29 o    2.763000      0.3406000       3.084000 0.4107000       2.442000      0.5434000      0.6428000      0.6811000
  1 1 1      14    6   30 o    7.493000      0.1701000       7.460000 0.2349000       7.527000      0.2460000     -0.6720000E-01  0.3401000
  1 1 1      14    6   31 o    4.682000      0.2195000       4.808000 0.2884000       4.557000      0.3311000      0.2512000      0.4391000
  1 1 1      14    6   32 o    2.660000      0.3792000       3.308000 0.3933000       2.012000      0.6485000       1.295000      0.7585000
  1 1 1      14    6   33 o    2.949000      0.3701000       2.664000 0.5342000       3.234000      0.5123000     -0.5696000      0.7402000
  1 1 1      14    6   34 o    1.625000      0.4916000       1.746000 0.7145000       1.503000      0.6753000      0.2429000      0.9831000
  1 1 1      14    6   35 o    2.387000      0.5559000       2.403000 0.7558000       2.370000      0.8154000      0.3366000E-01   1.112000
  1 1 1      14    7    0 o    8.925000      0.1807000       8.787000 0.2558000       9.064000      0.2553000     -0.2775000      0.3614000
  1 1 1      14    7    1 o    7.049000      0.2451000       6.863000 0.3535000       7.235000      0.3397000     -0.3716000      0.4903000
  1 1 1      14    7    2 o    6.175000      0.2490000       5.939000 0.3593000       6.411000      0.3448000     -0.4721000      0.4980000
  1 1 1      14    7    3 o    6.511000      0.1719000       6.608000 0.2407000       6.415000      0.2456000      0.1932000      0.3439000
  1 1 1      14    7    4 o    14.11000      0.3053000       14.00000 0.4263000       14.22000      0.4371000     -0.2265000      0.6106000
  1 1 1      14    7    5 o    22.71000      0.4478000       22.08000 0.6151000       23.34000      0.6509000      -1.267000      0.8956000
  1 1 1      14    7    6 o    13.81000      0.2097000       13.60000 0.2929000       14.03000      0.3001000     -0.4318000      0.4193000
  1 1 1      14    7    7 o    7.067000      0.1582000       6.948000 0.2232000       7.187000      0.2242000     -0.2391000      0.3164000
  1 1 1      14    7    8 o    11.86000      0.1842000       11.77000 0.2591000       11.96000      0.2620000     -0.1858000      0.3685000
  1 1 1      14    7    9 o    3.346000      0.2022000       3.503000 0.2757000       3.189000      0.2960000      0.3143000      0.4045000
  1 1 1      14    7   10 f    9.282000      0.1569000       9.228000 0.2206000       9.336000      0.2231000     -0.1087000      0.3137000
  1 1 1      14    7   11 o    14.85000      0.2123000       14.97000 0.3022000       14.73000      0.2982000      0.2399000      0.4246000
  1 1 1      14    7   12 o    6.479000      0.1324000       6.589000 0.1874000       6.368000      0.1871000      0.2205000      0.2648000
  1 1 1      14    7   13 o    7.526000      0.1822000       7.352000 0.2703000       7.701000      0.2446000     -0.3496000      0.3645000
  1 1 1      14    7   14 f    4.799000      0.1106000       4.973000 0.1548000       4.624000      0.1580000      0.3486000      0.2212000
  1 1 1      14    7   15 o    1.767000      0.2530000       1.574000 0.3434000       1.960000      0.3717000     -0.3863000      0.5060000
  1 1 1      14    7   16 o    3.146000      0.2187000       2.800000 0.2985000       3.493000      0.3197000     -0.6934000      0.4374000
  1 1 1      14    7   17 o    5.274000      0.1565000       5.141000 0.1984000       5.407000      0.2421000     -0.2659000      0.3130000
  1 1 1      14    7   18 o    4.736000      0.1194000       4.771000 0.1580000       4.702000      0.1789000      0.6889000E-01  0.2387000
  1 1 1      14    7   19 o    5.548000      0.1091000       5.614000 0.1518000       5.482000      0.1569000      0.1323000      0.2183000
  1 1 1      14    7   20 o    7.031000      0.1182000       7.059000 0.1674000       7.004000      0.1668000      0.5460000E-01  0.2363000
  1 1 1      14    7   21 o    12.00000      0.1714000       11.76000 0.2399000       12.24000      0.2449000     -0.4873000      0.3428000
  1 1 1      14    7   22 o    13.14000      0.1867000       13.25000 0.2679000       13.03000      0.2600000      0.2156000      0.3734000
  1 1 1      14    7   23 f    5.684000      0.1535000       5.706000 0.2465000       5.663000      0.1830000      0.4278000E-01  0.3070000
  1 1 1      14    7   24 o    5.915000      0.1795000       6.035000 0.2571000       5.795000      0.2507000      0.2402000      0.3591000
  1 1 1      14    7   25 o    9.363000      0.2157000       9.798000 0.3203000       8.927000      0.2890000      0.8710000      0.4314000
  1 1 1      14    7   26 o    3.383000      0.3221000       3.475000 0.3915000       3.290000      0.5116000      0.1853000      0.6442000
  1 1 1      14    7   27 o    4.587000      0.2525000       4.342000 0.3677000       4.831000      0.3461000     -0.4896000      0.5049000
  1 1 1      14    7   28 o    5.152000      0.2187000       4.929000 0.3055000       5.376000      0.3130000     -0.4471000      0.4374000
  1 1 1      14    7   29 f    7.568000      0.1803000       7.632000 0.2536000       7.505000      0.2563000      0.1274000      0.3606000
  1 1 1      14    7   30 o    4.791000      0.2349000       4.492000 0.3368000       5.091000      0.3274000     -0.5990000      0.4697000
  1 1 1      14    7   31 o    2.703000      0.3694000       1.927000 0.6013000       3.479000      0.4294000      -1.552000      0.7389000
  1 1 1      14    7   32 o    1.933000      0.6313000       1.933000 0.6313000                  ?              ?              ?              ?
  1 1 1      14    7   33 o    3.226000      0.4716000       3.348000 0.5897000       3.105000      0.7361000      0.2429000      0.9432000
  1 1 1      14    7   34 o    1.813000      0.5212000       1.813000 0.7301000       1.812000      0.7441000      0.1640000E-02   1.042000
  1 1 1      14    7   35 o    2.722000      0.4493000       2.501000 0.6712000       2.944000      0.5973000     -0.4431000      0.8985000
  1 1 1      14    8    0 f    9.272000      0.1855000       9.080000 0.2620000       9.464000      0.2628000     -0.3845000      0.3710000
  1 1 1      14    8    1 o    5.015000      0.2726000       5.015000 0.3813000       5.015000      0.3897000      0.6475000E-03  0.5452000
  1 1 1      14    8    3 o    17.92000      0.2599000       17.93000 0.3671000       17.92000      0.3680000      0.9626000E-02  0.5198000
  1 1 1      14    8    4 o    12.77000      0.2022000       12.82000 0.2869000       12.72000      0.2850000      0.1034000      0.4044000
  1 1 1      14    8    5 o    25.59000      0.4995000       25.35000 0.6995000       25.82000      0.7133000     -0.4706000      0.9990000
  1 1 1      14    8    6 o    16.44000      0.3412000       15.97000 0.4691000       16.91000      0.4956000     -0.9329000      0.6824000
  1 1 1      14    8    7 o    12.39000      0.1928000       12.46000 0.2750000       12.33000      0.2704000      0.1259000      0.3857000
  1 1 1      14    8    8 o    11.67000      0.1839000       11.67000 0.2608000       11.68000      0.2593000     -0.1015000E-01  0.3678000
  1 1 1      14    8    9 o    1.910000      0.3236000       1.552000 0.5116000       2.268000      0.3964000     -0.7162000      0.6472000
  1 1 1      14    8   10 o    8.846000      0.1540000       8.821000 0.2175000       8.872000      0.2182000     -0.5056000E-01  0.3081000
  1 1 1      14    8   11 o    10.72000      0.1664000       10.85000 0.2371000       10.60000      0.2335000      0.2537000      0.3328000
  1 1 1      14    8   12 o    3.923000      0.1484000       3.794000 0.2172000       4.053000      0.2023000     -0.2587000      0.2968000
  1 1 1      14    8   13 o    8.456000      0.1380000       8.531000 0.1938000       8.381000      0.1965000      0.1494000      0.2759000
  1 1 1      14    8   14 o    4.956000      0.1162000       4.933000 0.1574000       4.978000      0.1710000     -0.4413000E-01  0.2324000
  1 1 1      14    8   15 o    3.219000      0.1805000       3.275000 0.1997000       3.163000      0.3008000      0.1116000      0.3610000
  1 1 1      14    8   16 o    2.695000      0.2471000       2.592000 0.3251000       2.798000      0.3722000     -0.2063000      0.4942000
  1 1 1      14    8   17 o    1.314000      0.3437000       1.182000 0.4450000       1.446000      0.5239000     -0.2645000      0.6874000
  1 1 1      14    8   18 o    6.560000      0.1276000       6.685000 0.1698000       6.435000      0.1906000      0.2502000      0.2553000
  1 1 1      14    8   19 o    3.183000      0.1406000       3.159000 0.1845000       3.207000      0.2122000     -0.4859000E-01  0.2812000
  1 1 1      14    8   20 o    7.317000      0.1546000       7.023000 0.1692000       7.611000      0.2588000     -0.5884000      0.3092000
  1 1 1      14    8   21 o   0.9962000      0.2789000       1.066000 0.4067000      0.9261000      0.3817000      0.1402000      0.5577000
  1 1 1      14    8   22 o    2.375000      0.2573000       2.253000 0.4184000       2.496000      0.2997000     -0.2425000      0.5147000
  1 1 1      14    8   23 o    13.23000      0.2426000       12.87000 0.3943000       13.59000      0.2828000     -0.7122000      0.4852000
  1 1 1      14    8   24 o    8.411000      0.2362000       8.085000 0.3457000       8.738000      0.3220000     -0.6531000      0.4724000
  1 1 1      14    8   25 o    9.442000      0.2507000       9.482000 0.3699000       9.401000      0.3385000      0.8037000E-01  0.5014000
  1 1 1      14    8   26 o    5.046000      0.2345000       4.781000 0.3152000       5.311000      0.3474000     -0.5303000      0.4691000
  1 1 1      14    8   27 o    5.077000      0.2552000       4.919000 0.3569000       5.235000      0.3649000     -0.3161000      0.5104000
  1 1 1      14    8   28 o    2.058000      0.4474000       1.653000 0.6293000       2.463000      0.6361000     -0.8096000      0.8948000
  1 1 1      14    8   29 o    11.14000      0.1998000       10.73000 0.2758000       11.55000      0.2892000     -0.8258000      0.3996000
  1 1 1      14    8   30 o    3.862000      0.2970000       3.876000 0.4170000       3.849000      0.4231000      0.2655000E-01  0.5941000
  1 1 1      14    8   31 o    1.937000      0.5292000       2.163000 0.7777000       1.712000      0.7178000      0.4512000       1.058000
  1 1 1      14    8   32 o    6.410000      0.3533000       6.410000 0.3533000                  ?              ?              ?              ?
  1 1 1      14    8   33 o    3.969000      0.3321000       3.130000 0.5380000       4.808000      0.3895000      -1.677000      0.6642000
  1 1 1      14    8   34 o    2.965000      0.6176000                  ?       ?   2.965000      0.6176000                  ?              ?
  1 1 1      14    8   35 o    4.098000      0.4769000       4.420000 0.6617000       3.776000      0.6868000      0.6445000      0.9537000
  1 1 1      14    9    0 o    4.203000      0.2381000       3.814000 0.3578000       4.592000      0.3143000     -0.7778000      0.4763000
  1 1 1      14    9    1 o    3.595000      0.2620000       3.335000 0.3983000       3.854000      0.3405000     -0.5186000      0.5240000
  1 1 1      14    9    2 o    6.545000      0.2485000       6.240000 0.3554000       6.849000      0.3475000     -0.6085000      0.4970000
  1 1 1      14    9    3 o    9.663000      0.2514000       9.783000 0.3637000       9.543000      0.3472000      0.2400000      0.5028000
  1 1 1      14    9    4 o    6.861000      0.2490000       6.861000 0.2490000                  ?              ?              ?              ?
  1 1 1      14    9    5 o    6.795000      0.1702000       7.016000 0.2396000       6.573000      0.2418000      0.4429000      0.3404000
  1 1 1      14    9    6 o    20.22000      0.5736000                  ?       ?   20.22000      0.5736000                  ?              ?
  1 1 1      14    9    7 o    19.57000      0.3919000       19.28000 0.5459000       19.86000      0.5624000     -0.5846000      0.7838000
  1 1 1      14    9    8 o    15.26000      0.2230000       15.25000 0.3160000       15.28000      0.3148000     -0.3724000E-01  0.4460000
  1 1 1      14    9    9 o    2.224000      0.2929000       2.021000 0.4534000       2.427000      0.3708000     -0.4062000      0.5858000
  1 1 1      14    9   10 o    3.191000      0.1995000       3.494000 0.2707000       2.887000      0.2932000      0.6068000      0.3991000
  1 1 1      14    9   11 o    5.793000      0.1936000       5.660000 0.2986000       5.926000      0.2466000     -0.2657000      0.3872000
  1 1 1      14    9   12 o    1.616000      0.2791000       2.031000 0.3531000       1.201000      0.4322000      0.8300000      0.5581000
  1 1 1      14    9   13 o    10.43000      0.1574000       10.46000 0.2210000       10.40000      0.2242000      0.5983000E-01  0.3148000
  1 1 1      14    9   14 o    8.239000      0.1382000       8.174000 0.1862000       8.305000      0.2042000     -0.1312000      0.2763000
  1 1 1      14    9   15 o    7.787000      0.1554000       7.968000 0.1968000       7.606000      0.2407000      0.3615000      0.3109000
  1 1 1      14    9   16 o    4.036000      0.1983000       4.237000 0.2421000       3.835000      0.3140000      0.4028000      0.3965000
  1 1 1      14    9   17 o    6.568000      0.1701000       6.334000 0.2225000       6.803000      0.2573000     -0.4682000      0.3402000
  1 1 1      14    9   18 o    6.531000      0.1399000       6.546000 0.1831000       6.516000      0.2116000      0.2973000E-01  0.2798000
  1 1 1      14    9   19 o    6.361000      0.1225000       6.545000 0.1728000       6.178000      0.1737000      0.3666000      0.2450000
  1 1 1      14    9   20 o    17.44000      0.2392000       17.38000 0.3377000       17.50000      0.3390000     -0.1152000      0.4785000
  1 1 1      14    9   21 o    12.78000      0.1841000       12.87000 0.2641000       12.68000      0.2566000      0.1897000      0.3682000
  1 1 1      14    9   22 o    11.12000      0.2124000       10.70000 0.3488000       11.53000      0.2425000     -0.8347000      0.4249000
  1 1 1      14    9   23 o    18.41000      0.2686000       18.21000 0.3898000       18.60000      0.3697000     -0.3928000      0.5372000
  1 1 1      14    9   24 f    6.195000      0.2219000       5.916000 0.3323000       6.473000      0.2943000     -0.5569000      0.4439000
  1 1 1      14    9   25 o    2.188000      0.4843000       2.052000 0.7112000       2.323000      0.6575000     -0.2708000      0.9686000
  1 1 1      14    9   26 o    13.96000      0.2817000       13.61000 0.4437000       14.32000      0.3471000     -0.7094000      0.5633000
  1 1 1      14    9   27 o    6.567000      0.4527000       5.624000 0.8447000       7.511000      0.3258000      -1.887000      0.9054000
  1 1 1      14    9   28 o    1.228000      0.3995000       1.184000 0.5476000       1.272000      0.5819000     -0.8791000E-01  0.7991000
  1 1 1      14    9   29 o    10.90000      0.3104000       10.48000 0.4609000       11.32000      0.4160000     -0.8410000      0.6209000
  1 1 1      14    9   30 o    2.444000      0.5234000       3.246000 0.7535000       1.642000      0.7266000       1.604000       1.047000
  1 1 1      14    9   31 o    2.609000      0.4547000       2.779000 0.5992000       2.438000      0.6841000      0.3412000      0.9094000
  1 1 1      14    9   32 o    1.825000      0.4902000       1.665000 0.6704000       1.984000      0.7153000     -0.3188000      0.9803000
  1 1 1      14    9   33 o    1.815000      0.5435000       1.950000 0.7991000       1.680000      0.7368000      0.2705000       1.087000
  1 1 1      14    9   34 o    1.704000      0.7383000                  ?       ?   1.704000      0.7383000                  ?              ?
  1 1 1      14    9   35 o    2.810000      0.4452000       3.690000 0.5220000       1.931000      0.7214000       1.758000      0.8904000
  1 1 1      14   10    0 o    5.510000      0.2051000       5.620000 0.2916000       5.401000      0.2886000      0.2188000      0.4102000
  1 1 1      14   10    1 f    5.551000      0.1997000       5.769000 0.2857000       5.333000      0.2791000      0.4358000      0.3994000
  1 1 1      14   10    2 o    3.065000      0.3106000       2.766000 0.4871000       3.365000      0.3856000     -0.5990000      0.6212000
  1 1 1      14   10    3 o    9.107000      0.2505000       9.603000 0.3653000       8.611000      0.3428000      0.9918000      0.5010000
  1 1 1      14   10    4 f    14.84000      0.4488000       14.84000 0.4488000                  ?              ?              ?              ?
  1 1 1      14   10    5 o    26.27000      0.3614000       26.12000 0.5084000       26.41000      0.5137000     -0.2959000      0.7228000
  1 1 1      14   10    6 o    16.86000      0.3455000                  ?       ?   16.86000      0.3455000                  ?              ?
  1 1 1      14   10    7 o    5.872000      0.1685000       5.650000 0.2482000       6.093000      0.2279000     -0.4437000      0.3370000
  1 1 1      14   10    8 o    2.531000      0.4411000       2.332000 0.6025000       2.729000      0.6446000     -0.3968000      0.8823000
  1 1 1      14   10    9 o    11.39000      0.2600000       11.49000 0.3621000       11.28000      0.3732000      0.2111000      0.5200000
  1 1 1      14   10   10 o    7.459000      0.2244000       7.432000 0.2980000       7.486000      0.3355000     -0.5404000E-01  0.4487000
  1 1 1      14   10   11 o    10.94000      0.1686000       10.94000 0.2368000       10.94000      0.2400000     -0.2134000E-02  0.3371000
  1 1 1      14   10   12 o    6.003000      0.1306000       6.015000 0.1817000       5.991000      0.1876000      0.2393000E-01  0.2612000
  1 1 1      14   10   13 o    12.34000      0.1802000       12.33000 0.2511000       12.36000      0.2585000     -0.2647000E-01  0.3604000
  1 1 1      14   10   14 o    8.031000      0.1435000       7.972000 0.1896000       8.090000      0.2155000     -0.1183000      0.2871000
  1 1 1      14   10   15 o    8.175000      0.1682000       8.422000 0.2119000       7.929000      0.2613000      0.4930000      0.3364000
  1 1 1      14   10   16 o    4.127000      0.1989000       4.545000 0.2402000       3.709000      0.3170000      0.8362000      0.3978000
  1 1 1      14   10   17 o    4.259000      0.1805000       4.209000 0.2274000       4.310000      0.2804000     -0.1015000      0.3610000
  1 1 1      14   10   18 o    2.296000      0.2509000       2.431000 0.2892000       2.161000      0.4102000      0.2703000      0.5019000
  1 1 1      14   10   19 o    7.162000      0.1399000       7.248000 0.1959000       7.077000      0.1996000      0.1705000      0.2797000
  1 1 1      14   10   20 o    11.66000      0.1710000       11.54000 0.2401000       11.79000      0.2436000     -0.2428000      0.3421000
  1 1 1      14   10   21 o    9.670000      0.1562000       9.707000 0.2261000       9.634000      0.2155000      0.7295000E-01  0.3123000
  1 1 1      14   10   22 o    5.636000      0.1745000       5.966000 0.2703000       5.306000      0.2208000      0.6604000      0.3491000
  1 1 1      14   10   23 o    14.26000      0.2627000       14.58000 0.4304000       13.95000      0.3015000      0.6396000      0.5254000
  1 1 1      14   10   24 o    14.40000      0.2753000       14.41000 0.4381000       14.39000      0.3336000      0.1773000E-01  0.5506000
  1 1 1      14   10   25 o    3.031000      0.8058000       2.839000 1.095000       3.222000       1.182000     -0.3827000       1.612000
  1 1 1      14   10   26 o    2.517000      0.7422000       1.939000 0.8956000       3.096000       1.184000      -1.157000       1.484000
  1 1 1      14   10   28 o    4.810000      0.3475000       5.461000 0.4892000       4.160000      0.4936000       1.300000      0.6950000
  1 1 1      14   10   29 o    9.203000      0.2310000       9.166000 0.3585000       9.240000      0.2916000     -0.7403000E-01  0.4621000
  1 1 1      14   10   30 o    2.914000      0.4389000       2.748000 0.6270000       3.080000      0.6143000     -0.3328000      0.8778000
  1 1 1      14   10   31 o    4.681000      0.3955000       4.442000 0.5313000       4.920000      0.5861000     -0.4784000      0.7911000
  1 1 1      14   10   33 o    2.028000      0.5122000       1.967000 0.6935000       2.089000      0.7540000     -0.1227000       1.024000
  1 1 1      14   10   34 o    3.918000      0.3843000       3.349000 0.5879000       4.486000      0.4950000      -1.136000      0.7685000
  1 1 1      14   10   35 o    7.014000      0.3319000       6.909000 0.4779000       7.120000      0.4608000     -0.2107000      0.6639000
  1 1 1      14   11    0 o    10.04000      0.1913000       10.17000 0.2707000       9.914000      0.2703000      0.2610000      0.3825000
  1 1 1      14   11    1 o    4.750000      0.2223000       5.113000 0.3011000       4.387000      0.3271000      0.7266000      0.4446000
  1 1 1      14   11    2 o    7.003000      0.1852000       7.052000 0.2649000       6.953000      0.2588000      0.9898000E-01  0.3703000
  1 1 1      14   11    3 o    4.296000      0.2244000       4.254000 0.3250000       4.339000      0.3094000     -0.8496000E-01  0.4487000
  1 1 1      14   11    4 o    13.33000      0.2107000       13.30000 0.2988000       13.36000      0.2972000     -0.6049000E-01  0.4214000
  1 1 1      14   11    5 o    15.91000      0.3302000       16.46000 0.4818000       15.36000      0.4516000       1.093000      0.6604000
  1 1 1      14   11    6 o    2.420000      0.4085000       2.217000 0.6617000       2.623000      0.4793000     -0.4059000      0.8171000
  1 1 1      14   11    7 o    12.69000      0.1970000       12.82000 0.2810000       12.57000      0.2762000      0.2517000      0.3940000
  1 1 1      14   11    8 o    9.825000      0.1697000       9.880000 0.2404000       9.770000      0.2396000      0.1102000      0.3394000
  1 1 1      14   11    9 o    11.81000      0.1837000       11.79000 0.2585000       11.84000      0.2610000     -0.5293000E-01  0.3673000
  1 1 1      14   11   10 o    1.210000      0.3265000       1.346000 0.4748000       1.075000      0.4482000      0.2716000      0.6529000
  1 1 1      14   11   11 o    7.384000      0.2211000       7.675000 0.2988000       7.093000      0.3261000      0.5828000      0.4423000
  1 1 1      14   11   12 o    11.20000      0.2490000       11.32000 0.3452000       11.08000      0.3589000      0.2326000      0.4980000
  1 1 1      14   11   13 o    4.158000      0.2401000       4.228000 0.3011000       4.088000      0.3742000      0.1406000      0.4803000
  1 1 1      14   11   14 o    3.311000      0.2698000       3.106000 0.3266000       3.516000      0.4295000     -0.4100000      0.5396000
  1 1 1      14   11   15 o    8.544000      0.2024000       8.382000 0.2700000       8.706000      0.3016000     -0.3243000      0.4048000
  1 1 1      14   11   16 o    6.197000      0.1754000       5.979000 0.2294000       6.414000      0.2655000     -0.4348000      0.3509000
  1 1 1      14   11   17 o    7.525000      0.1719000       7.087000 0.2264000       7.963000      0.2587000     -0.8765000      0.3438000
  1 1 1      14   11   18 f    1.922000      0.3130000       1.899000 0.4128000       1.946000      0.4705000     -0.4713000E-01  0.6259000
  1 1 1      14   11   19 o    12.03000      0.2455000       12.37000 0.3563000       11.69000      0.3378000      0.6853000      0.4910000
  1 1 1      14   11   20 o    6.949000      0.1998000       7.267000 0.2902000       6.630000      0.2748000      0.6376000      0.3996000
  1 1 1      14   11   21 o    2.260000      0.4015000       1.615000 0.6446000       2.905000      0.4788000      -1.290000      0.8030000
  1 1 1      14   11   22 f    5.719000      0.3994000       6.113000 0.6831000       5.326000      0.4140000      0.7863000      0.7987000
  1 1 1      14   11   23 o    2.763000      0.7567000       3.478000 1.262000       2.049000      0.8354000       1.429000       1.513000
  1 1 1      14   11   24 o    9.957000      0.2319000       9.707000 0.3594000       10.21000      0.2933000     -0.4995000      0.4639000
  1 1 1      14   11   25 o    2.398000      0.4806000       2.152000 0.7311000       2.644000      0.6239000     -0.4922000      0.9611000
  1 1 1      14   11   26 f    1.674000      0.4841000       1.655000 0.7014000       1.694000      0.6673000     -0.3863000E-01  0.9681000
  1 1 1      14   11   27 o    8.699000      0.2643000       8.636000 0.4120000       8.762000      0.3310000     -0.1264000      0.5285000
  1 1 1      14   11   28 o    3.052000      0.5250000       3.850000 0.7161000       2.255000      0.7678000       1.595000       1.050000
  1 1 1      14   11   29 o    1.769000      0.5323000       1.635000 0.7498000       1.902000      0.7558000     -0.2677000       1.065000
  1 1 1      14   11   30 o    5.637000      0.4142000       5.615000 0.6684000       5.659000      0.4894000     -0.4410000E-01  0.8284000
  1 1 1      14   11   31 o    2.642000      0.5434000       3.050000 0.7852000       2.235000      0.7515000      0.8159000       1.087000
  1 1 1      14   11   32 o    4.033000      0.3634000       4.475000 0.4424000       3.591000      0.5767000      0.8835000      0.7268000
  1 1 1      14   11   33 o    2.419000      0.4699000       3.195000 0.6221000       1.643000      0.7044000       1.552000      0.9398000
  1 1 1      14   11   34 o    3.075000      0.4873000       3.081000 0.6628000       3.069000      0.7144000      0.1141000E-01  0.9745000
  1 1 1      14   11   35 o    4.404000      0.3562000       4.589000 0.4678000       4.219000      0.5372000      0.3702000      0.7124000
  1 1 1      14   12    0 o    14.92000      0.2326000       15.32000 0.3349000       14.51000      0.3230000      0.8136000      0.4653000
  1 1 1      14   12    1 o    11.21000      0.1970000       11.26000 0.2800000       11.16000      0.2772000      0.1048000      0.3940000
  1 1 1      14   12    2 o    2.538000      0.3561000       2.457000 0.5105000       2.620000      0.4966000     -0.1635000      0.7122000
  1 1 1      14   12    3 o    10.39000      0.1885000       10.15000 0.2666000       10.63000      0.2666000     -0.4842000      0.3771000
  1 1 1      14   12    4 o    17.44000      0.2546000       17.48000 0.3606000       17.39000      0.3595000      0.8922000E-01  0.5092000
  1 1 1      14   12    5 o    6.474000      0.1789000       6.480000 0.2583000       6.467000      0.2476000      0.1224000E-01  0.3578000
  1 1 1      14   12    6 o    6.265000      0.1730000       6.371000 0.2406000       6.160000      0.2486000      0.2106000      0.3460000
  1 1 1      14   12    7 o    2.052000      0.3985000       1.468000 0.6143000       2.635000      0.5076000      -1.166000      0.7969000
  1 1 1      14   12    8 o    8.454000      0.2187000       8.201000 0.3149000       8.706000      0.3036000     -0.5049000      0.4374000
  1 1 1      14   12    9 o    1.653000      0.3841000       2.023000 0.5761000       1.282000      0.5082000      0.7409000      0.7682000
  1 1 1      14   12   10 o    3.185000      0.1841000       2.951000 0.2684000       3.418000      0.2521000     -0.4675000      0.3682000
  1 1 1      14   12   11 o    3.577000      0.1697000       3.353000 0.2524000       3.801000      0.2270000     -0.4481000      0.3395000
  1 1 1      14   12   12 o    9.481000      0.1536000       9.391000 0.2123000       9.571000      0.2221000     -0.1800000      0.3073000
  1 1 1      14   12   13 o    4.404000      0.1663000       4.414000 0.2086000       4.394000      0.2589000      0.2001000E-01  0.3325000
  1 1 1      14   12   14 o    3.276000      0.2331000       3.282000 0.2756000       3.270000      0.3760000      0.1190000E-01  0.4662000
  1 1 1      14   12   15 f    2.296000      0.3274000       2.129000 0.4119000       2.462000      0.5089000     -0.3329000      0.6547000
  1 1 1      14   12   16 o    6.352000      0.1778000       6.288000 0.2373000       6.416000      0.2648000     -0.1273000      0.3556000
  1 1 1      14   12   17 o    2.506000      0.2743000       2.416000 0.3601000       2.595000      0.4140000     -0.1790000      0.5487000
  1 1 1      14   12   18 o    5.830000      0.1649000       5.792000 0.2206000       5.869000      0.2451000     -0.7643000E-01  0.3298000
  1 1 1      14   12   19 o    8.719000      0.1582000       8.846000 0.2224000       8.592000      0.2251000      0.2544000      0.3164000
  1 1 1      14   12   20 o    6.600000      0.1624000       6.554000 0.2362000       6.646000      0.2229000     -0.9166000E-01  0.3248000
  1 1 1      14   12   21 o    6.772000      0.2257000       6.812000 0.3210000       6.733000      0.3174000      0.7883000E-01  0.4514000
  1 1 1      14   12   22 o    10.89000      0.2010000       11.21000 0.3078000       10.58000      0.2584000      0.6268000      0.4019000
  1 1 1      14   12   23 o    5.358000      0.2410000       5.367000 0.3729000       5.348000      0.3055000      0.1814000E-01  0.4820000
  1 1 1      14   12   24 o    4.144000      0.3232000       4.432000 0.4645000       3.856000      0.4497000      0.5763000      0.6465000
  1 1 1      14   12   25 o    8.231000      0.2589000       7.625000 0.3830000       8.837000      0.3484000      -1.212000      0.5178000
  1 1 1      14   12   27 o    4.078000      0.4318000       4.035000 0.6981000       4.121000      0.5084000     -0.8590000E-01  0.8636000
  1 1 1      14   12   28 o    2.181000      0.5528000       2.055000 0.8086000       2.307000      0.7540000     -0.2517000       1.106000
  1 1 1      14   12   29 o    5.035000      0.3669000       5.078000 0.5763000       4.991000      0.4543000      0.8763000E-01  0.7339000
  1 1 1      14   12   30 o    8.086000      0.2666000       7.589000 0.4255000       8.583000      0.3212000     -0.9946000      0.5331000
  1 1 1      14   12   31 o    3.052000      0.5176000       2.269000 0.8491000       3.835000      0.5924000      -1.567000       1.035000
  1 1 1      14   12   32 o    4.491000      0.3814000       4.753000 0.5416000       4.228000      0.5371000      0.5258000      0.7627000
  1 1 1      14   12   33 o    1.582000      0.6970000       1.582000 0.6970000                  ?              ?              ?              ?
  1 1 1      14   12   34 o    3.636000      0.4383000       3.664000 0.5925000       3.609000      0.6461000      0.5467000E-01  0.8766000
  1 1 1      14   13    0 o    7.331000      0.2672000       7.547000 0.3927000       7.115000      0.3625000      0.4322000      0.5344000
  1 1 1      14   13    1 o    5.644000      0.2076000       5.778000 0.2943000       5.510000      0.2928000      0.2687000      0.4151000
  1 1 1      14   13    2 o    7.085000      0.1865000       6.737000 0.2617000       7.433000      0.2659000     -0.6956000      0.3731000
  1 1 1      14   13    3 o    15.36000      0.2327000       15.53000 0.3312000       15.19000      0.3270000      0.3463000      0.4654000
  1 1 1      14   13    4 o    4.493000      0.2142000       4.481000 0.3161000       4.505000      0.2891000     -0.2453000E-01  0.4283000
  1 1 1      14   13    5 o    4.336000      0.2145000       4.620000 0.2977000       4.053000      0.3088000      0.5675000      0.4289000
  1 1 1      14   13    6 o    2.821000      0.2911000       2.884000 0.4193000       2.758000      0.4038000      0.1261000      0.5821000
  1 1 1      14   13    7 o    10.44000      0.2520000                  ?       ?   10.44000      0.2520000                  ?              ?
  1 1 1      14   13    8 o    7.488000      0.1583000       7.542000 0.2258000       7.435000      0.2220000      0.1073000      0.3167000
  1 1 1      14   13    9 o    11.52000      0.1810000       11.71000 0.2569000       11.33000      0.2550000      0.3779000      0.3620000
  1 1 1      14   13   10 o    8.397000      0.1747000       8.378000 0.2119000       8.417000      0.2778000     -0.3916000E-01  0.3494000
  1 1 1      14   13   11 o    3.239000      0.2434000       3.093000 0.3571000       3.384000      0.3308000     -0.2906000      0.4868000
  1 1 1      14   13   12 o    6.630000      0.1902000       6.802000 0.2626000       6.459000      0.2753000      0.3421000      0.3805000
  1 1 1      14   13   13 o    9.771000      0.2340000       9.895000 0.3171000       9.647000      0.3442000      0.2476000      0.4680000
  1 1 1      14   13   14 o    3.326000      0.6266000       3.621000 0.6175000       3.031000       1.091000      0.5903000       1.253000
  1 1 1      14   13   16 o    2.566000      0.7748000       2.503000 1.060000       2.628000       1.131000     -0.1247000       1.550000
  1 1 1      14   13   17 o    5.130000      0.8325000       4.958000 1.012000       5.303000       1.322000     -0.3450000       1.665000
  1 1 1      14   13   18 o    4.069000      0.7055000       3.544000 0.8737000       4.593000       1.108000      -1.050000       1.411000
  1 1 1      14   13   19 o    7.380000      0.3516000       7.789000 0.4082000       6.970000      0.5726000      0.8192000      0.7032000
  1 1 1      14   13   20 f    14.56000      0.3114000       13.91000 0.4188000       15.21000      0.4608000      -1.297000      0.6227000
  1 1 1      14   13   21 o    7.274000      0.2317000       7.211000 0.3260000       7.338000      0.3295000     -0.1270000      0.4635000
  1 1 1      14   13   22 o    7.567000      0.2315000       7.332000 0.3294000       7.802000      0.3255000     -0.4693000      0.4631000
  1 1 1      14   13   23 o    4.446000      0.2742000       4.743000 0.4033000       4.149000      0.3716000      0.5941000      0.5484000
  1 1 1      14   13   24 o    1.879000      0.4868000       2.125000 0.7273000       1.633000      0.6474000      0.4926000      0.9736000
  1 1 1      14   13   25 o    1.774000      0.4966000       1.953000 0.7438000       1.594000      0.6580000      0.3589000      0.9931000
  1 1 1      14   13   26 o    1.862000      0.4779000       1.414000 0.6442000       2.311000      0.7060000     -0.8962000      0.9557000
  1 1 1      14   13   27 o    8.008000      0.2904000       8.243000 0.4478000       7.774000      0.3697000      0.4681000      0.5807000
  1 1 1      14   13   28 o    7.429000      0.3115000       7.129000 0.5125000       7.728000      0.3541000     -0.5987000      0.6230000
  1 1 1      14   13   29 o    4.936000      0.4051000       4.958000 0.6380000       4.913000      0.4992000      0.4469000E-01  0.8101000
  1 1 1      14   13   30 o    2.714000      0.6006000       2.809000 0.8995000       2.618000      0.7961000      0.1917000       1.201000
  1 1 1      14   13   31 o    4.493000      0.4111000       4.723000 0.6029000       4.263000      0.5591000      0.4596000      0.8222000
  1 1 1      14   13   32 o    4.373000      0.4653000       3.135000 0.8192000       5.610000      0.4416000      -2.476000      0.9307000
  1 1 1      14   13   33 o    2.131000      0.8102000       2.131000 0.8102000                  ?              ?              ?              ?
  1 1 1      14   13   34 o    3.277000      0.5090000       3.007000 0.7509000       3.547000      0.6875000     -0.5393000       1.018000
  1 1 1      14   14    0 o    6.433000      0.1994000       6.853000 0.2749000       6.013000      0.2888000      0.8407000      0.3988000
  1 1 1      14   14    1 o    1.567000      0.4147000       1.736000 0.6101000       1.398000      0.5617000      0.3378000      0.8293000
  1 1 1      14   14    2 o    12.85000      0.2088000       12.84000 0.2948000       12.87000      0.2959000     -0.3752000E-01  0.4177000
  1 1 1      14   14    3 o    12.29000      0.2030000       12.29000 0.2847000       12.29000      0.2894000      0.1462000E-02  0.4060000
  1 1 1      14   14    4 o    4.038000      0.2288000       3.945000 0.3230000       4.130000      0.3241000     -0.1850000      0.4576000
  1 1 1      14   14    5 o    9.184000      0.2484000       9.184000 0.2484000                  ?              ?              ?              ?
  1 1 1      14   14    6 o    2.269000      0.3512000       2.086000 0.5281000       2.452000      0.4632000     -0.3659000      0.7024000
  1 1 1      14   14    7 o    1.218000      0.4831000                  ?       ?   1.218000      0.4831000                  ?              ?
  1 1 1      14   14    8 o    5.819000      0.1648000       5.864000 0.2345000       5.773000      0.2316000      0.9088000E-01  0.3296000
  1 1 1      14   14    9 o    7.478000      0.1525000       7.523000 0.2155000       7.433000      0.2158000      0.9012000E-01  0.3050000
  1 1 1      14   14   10 o    8.684000      0.1544000       8.687000 0.2158000       8.682000      0.2209000      0.5388000E-02  0.3088000
  1 1 1      14   14   11 o    7.589000      0.1468000       7.542000 0.2015000       7.637000      0.2136000     -0.9497000E-01  0.2936000
  1 1 1      14   14   12 o    15.22000      0.2697000       15.10000 0.4352000       15.34000      0.3187000     -0.2354000      0.5394000
  1 1 1      14   14   13 o    7.533000      0.1630000       7.433000 0.2109000       7.632000      0.2486000     -0.1990000      0.3260000
  1 1 1      14   14   14 o    4.270000      0.2165000       3.952000 0.2778000       4.589000      0.3321000     -0.6363000      0.4330000
  1 1 1      14   14   15 o    5.881000      0.1876000       6.039000 0.2520000       5.722000      0.2780000      0.3171000      0.3752000
  1 1 1      14   14   16 o    5.450000      0.2012000       5.274000 0.2679000       5.625000      0.3003000     -0.3513000      0.4024000
  1 1 1      14   14   17 o    2.958000      0.2893000       2.712000 0.4106000       3.204000      0.4076000     -0.4919000      0.5786000
  1 1 1      14   14   18 o    7.142000      0.1893000       6.927000 0.2587000       7.356000      0.2766000     -0.4295000      0.3787000
  1 1 1      14   14   19 o    8.880000      0.1978000       9.077000 0.2757000       8.683000      0.2837000      0.3937000      0.3956000
  1 1 1      14   14   20 o    6.985000      0.1899000       6.757000 0.2737000       7.213000      0.2633000     -0.4555000      0.3797000
  1 1 1      14   14   21 o    3.222000      0.3882000       2.798000 0.6430000       3.646000      0.4352000     -0.8475000      0.7765000
  1 1 1      14   14   22 o    2.386000      0.4651000       2.071000 0.6969000       2.701000      0.6161000     -0.6300000      0.9302000
  1 1 1      14   14   23 o    4.208000      0.3083000       4.073000 0.4772000       4.343000      0.3904000     -0.2695000      0.6166000
  1 1 1      14   14   24 o    5.844000      0.2616000       5.820000 0.3862000       5.868000      0.3529000     -0.4774000E-01  0.5231000
  1 1 1      14   14   25 o    5.407000      0.2867000       5.271000 0.4317000       5.543000      0.3774000     -0.2722000      0.5734000
  1 1 1      14   14   26 o    4.593000      0.8938000       4.659000 1.353000       4.527000       1.168000      0.1319000       1.788000
  1 1 1      14   14   27 o    7.049000      0.2980000       7.188000 0.4672000       6.911000      0.3702000      0.2763000      0.5961000
  1 1 1      14   14   28 o    6.176000      0.3403000       6.045000 0.5600000       6.306000      0.3868000     -0.2605000      0.6806000
  1 1 1      14   14   29 o    5.593000      0.3575000       5.355000 0.5774000       5.830000      0.4216000     -0.4749000      0.7149000
  1 1 1      14   14   30 o    2.951000      0.6025000       3.120000 0.8960000       2.783000      0.8055000      0.3368000       1.205000
  1 1 1      14   14   31 o    4.643000      0.4184000       4.638000 0.6685000       4.648000      0.5034000     -0.1027000E-01  0.8369000
  1 1 1      14   14   32 o    1.913000      0.5606000       1.975000 0.8243000       1.852000      0.7600000      0.1237000       1.121000
  1 1 1      14   14   33 o    2.362000      0.5520000       1.910000 0.8014000       2.813000      0.7594000     -0.9029000       1.104000
  1 1 1      14   14   34 o    3.057000      0.5441000       2.392000 0.8313000       3.721000      0.7020000      -1.329000       1.088000
  1 1 1      14   15    0 f    1.109000      0.3577000      0.8790000 0.4315000       1.340000      0.5707000     -0.4607000      0.7154000
  1 1 1      14   15    1 o    5.211000      0.2179000       5.362000 0.3023000       5.060000      0.3140000      0.3018000      0.4358000
  1 1 1      14   15    2 o    4.976000      0.2118000       4.898000 0.2942000       5.054000      0.3049000     -0.1555000      0.4237000
  1 1 1      14   15    3 o    8.108000      0.1825000       8.198000 0.2586000       8.019000      0.2575000      0.1791000      0.3650000
  1 1 1      14   15    4 o    1.856000      0.3747000       1.485000 0.5604000       2.227000      0.4975000     -0.7420000      0.7493000
  1 1 1      14   15    5 o    10.58000      0.2610000       10.58000 0.2610000                  ?              ?              ?              ?
  1 1 1      14   15    6 o    2.896000      0.2628000       3.027000 0.3668000       2.765000      0.3764000      0.2618000      0.5255000
  1 1 1      14   15    7 o    8.000000      0.2317000                  ?       ?   8.000000      0.2317000                  ?              ?
  1 1 1      14   15    8 o    8.475000      0.1617000       8.417000 0.2257000       8.533000      0.2316000     -0.1159000      0.3234000
  1 1 1      14   15    9 o    7.619000      0.1539000       7.350000 0.2147000       7.889000      0.2206000     -0.5388000      0.3079000
  1 1 1      14   15   10 o    7.214000      0.1495000       7.119000 0.2047000       7.309000      0.2180000     -0.1903000      0.2991000
  1 1 1      14   15   11 o    1.383000      0.3451000       1.131000 0.4567000       1.636000      0.5174000     -0.5047000      0.6902000
  1 1 1      14   15   12 o    5.452000      0.1721000       5.561000 0.2109000       5.344000      0.2720000      0.2172000      0.3442000
  1 1 1      14   15   13 o    2.578000      0.3307000       2.266000 0.4492000       2.891000      0.4854000     -0.6254000      0.6613000
  1 1 1      14   15   14 o    7.716000      0.1929000       7.461000 0.2366000       7.972000      0.3048000     -0.5107000      0.3859000
  1 1 1      14   15   15 o    5.110000      0.2220000       5.437000 0.2644000       4.784000      0.3567000      0.6530000      0.4440000
  1 1 1      14   15   16 o    2.399000      0.3607000       2.187000 0.4949000       2.611000      0.5249000     -0.4244000      0.7214000
  1 1 1      14   15   17 o    3.112000      0.3152000       2.985000 0.4435000       3.240000      0.4479000     -0.2553000      0.6303000
  1 1 1      14   15   18 o    8.171000      0.2071000       8.131000 0.2817000       8.212000      0.3037000     -0.8160000E-01  0.4142000
  1 1 1      14   15   19 o    10.72000      0.2117000       10.94000 0.2968000       10.49000      0.3018000      0.4495000      0.4233000
  1 1 1      14   15   20 o    11.44000      0.2010000       11.29000 0.2873000       11.60000      0.2812000     -0.3129000      0.4020000
  1 1 1      14   15   21 o    3.107000      0.4299000       3.148000 0.6250000       3.067000      0.5903000      0.8054000E-01  0.8597000
  1 1 1      14   15   22 o    9.777000      0.2171000       9.737000 0.3248000       9.817000      0.2880000     -0.8031000E-01  0.4341000
  1 1 1      14   15   23 o    6.239000      0.2480000       6.418000 0.3694000       6.060000      0.3309000      0.3580000      0.4959000
  1 1 1      14   15   24 o    4.748000      0.3049000       4.659000 0.4565000       4.838000      0.4043000     -0.1794000      0.6098000
  1 1 1      14   15   25 o    6.339000      0.2745000       6.051000 0.4247000       6.627000      0.3480000     -0.5762000      0.5491000
  1 1 1      14   15   26 o    3.924000      0.4075000       3.463000 0.6777000       4.384000      0.4526000     -0.9208000      0.8149000
  1 1 1      14   15   27 o    4.605000      0.3936000       4.144000 0.6361000       5.065000      0.4639000     -0.9212000      0.7873000
  1 1 1      14   15   28 f    3.856000      0.4770000       3.672000 0.7574000       4.039000      0.5802000     -0.3677000      0.9541000
  1 1 1      14   15   29 o    5.496000      0.3708000       5.817000 0.5614000       5.175000      0.4846000      0.6418000      0.7416000
  1 1 1      14   15   30 o    5.189000      0.4132000       5.036000 0.6607000       5.343000      0.4964000     -0.3073000      0.8264000
  1 1 1      14   15   31 o    2.701000      0.6150000       2.655000 0.9234000       2.747000      0.8126000     -0.9236000E-01   1.230000
  1 1 1      14   15   32 o    2.881000      0.5970000       2.991000 0.8908000       2.771000      0.7951000      0.2195000       1.194000
  1 1 1      14   15   33 o    2.932000      0.5137000       4.150000 0.6983000       1.714000      0.7537000       2.436000       1.027000
  1 1 1      14   15   34 o    2.305000      0.5859000       1.979000 0.8036000       2.631000      0.8527000     -0.6512000       1.172000
  1 1 1      14   16    0 o    7.309000      0.1969000       7.043000 0.2833000       7.574000      0.2736000     -0.5311000      0.3938000
  1 1 1      14   16    1 o    10.48000      0.1958000       10.29000 0.2765000       10.68000      0.2773000     -0.3941000      0.3916000
  1 1 1      14   16    2 o    7.517000      0.1882000       7.550000 0.2656000       7.484000      0.2666000      0.6690000E-01  0.3763000
  1 1 1      14   16    3 o    4.931000      0.2111000       4.781000 0.3107000       5.080000      0.2858000     -0.2989000      0.4222000
  1 1 1      14   16    4 o    13.01000      0.2074000       12.91000 0.2904000       13.12000      0.2963000     -0.2138000      0.4148000
  1 1 1      14   16    5 o    10.57000      0.1863000       10.62000 0.2595000       10.52000      0.2674000      0.9099000E-01  0.3726000
  1 1 1      14   16    6 o    6.163000      0.1716000       6.168000 0.2382000       6.158000      0.2470000      0.1080000E-01  0.3432000
  1 1 1      14   16    7 o    5.321000      0.1725000       5.036000 0.2526000       5.606000      0.2350000     -0.5704000      0.3451000
  1 1 1      14   16    8 o    10.71000      0.1764000       10.71000 0.2481000       10.71000      0.2508000      0.6139000E-02  0.3528000
  1 1 1      14   16    9 o    13.92000      0.2076000       13.74000 0.2897000       14.10000      0.2975000     -0.3571000      0.4153000
  1 1 1      14   16   10 o    5.225000      0.1564000       5.307000 0.2101000       5.143000      0.2317000      0.1642000      0.3128000
  1 1 1      14   16   11 o    5.720000      0.1713000       5.581000 0.2182000       5.860000      0.2641000     -0.2788000      0.3426000
  1 1 1      14   16   12 o    6.236000      0.1695000       6.385000 0.2156000       6.087000      0.2616000      0.2979000      0.3390000
  1 1 1      14   16   13 o    3.717000      0.2757000       3.908000 0.3082000       3.527000      0.4571000      0.3810000      0.5513000
  1 1 1      14   16   14 o    4.254000      0.2412000       4.149000 0.3053000       4.359000      0.3736000     -0.2094000      0.4824000
  1 1 1      14   16   15 o    5.264000      0.2309000       5.212000 0.3079000       5.315000      0.3441000     -0.1037000      0.4617000
  1 1 1      14   16   16 o    2.572000      0.3789000       3.358000 0.4167000       1.787000      0.6330000       1.570000      0.7578000
  1 1 1      14   16   17 o    7.008000      0.2112000       6.919000 0.2933000       7.098000      0.3040000     -0.1787000      0.4224000
  1 1 1      14   16   18 o    9.431000      0.2258000       9.245000 0.3035000       9.617000      0.3344000     -0.3715000      0.4516000
  1 1 1      14   16   19 o    5.360000      0.2730000       5.475000 0.3928000       5.245000      0.3792000      0.2296000      0.5459000
  1 1 1      14   16   20 o    5.242000      0.2603000       5.517000 0.3626000       4.966000      0.3736000      0.5506000      0.5206000
  1 1 1      14   16   21 o    2.754000      0.5146000       2.839000 0.7275000       2.670000      0.7279000      0.1696000       1.029000
  1 1 1      14   16   22 o    3.747000      0.3639000       3.964000 0.5078000       3.529000      0.5214000      0.4354000      0.7278000
  1 1 1      14   16   23 o    6.028000      0.2740000       5.691000 0.4234000       6.365000      0.3478000     -0.6740000      0.5479000
  1 1 1      14   16   24 o    3.853000      0.3895000       3.567000 0.6164000       4.139000      0.4764000     -0.5718000      0.7790000
  1 1 1      14   16   25 o    2.101000      0.5069000       2.606000 0.7606000       1.597000      0.6704000       1.009000       1.014000
  1 1 1      14   16   26 o    4.667000      0.3655000       4.395000 0.5774000       4.939000      0.4483000     -0.5437000      0.7310000
  1 1 1      14   16   27 o    5.386000      0.3598000       5.179000 0.5655000       5.594000      0.4451000     -0.4155000      0.7196000
  1 1 1      14   16   28 o    2.782000      0.5458000       3.732000 0.7883000       1.832000      0.7551000       1.900000       1.092000
  1 1 1      14   16   29 o    2.496000      0.6068000       2.402000 0.9046000       2.591000      0.8091000     -0.1883000       1.214000
  1 1 1      14   16   30 o    3.339000      0.5891000       3.806000 0.8319000       2.872000      0.8344000      0.9338000       1.178000
  1 1 1      14   16   31 o    2.945000      0.5977000       2.380000 0.9185000       3.511000      0.7652000      -1.131000       1.195000
  1 1 1      14   16   32 o    2.657000      0.6132000       2.297000 0.8944000       3.016000      0.8392000     -0.7189000       1.226000
  1 1 1      14   16   33 o    2.734000      0.5672000       3.566000 0.8027000       1.903000      0.8015000       1.663000       1.134000
  1 1 1      14   17    0 o    16.63000      0.2532000       16.46000 0.3532000       16.80000      0.3629000     -0.3437000      0.5064000
  1 1 1      14   17    1 o    4.632000      0.2316000       4.811000 0.3269000       4.454000      0.3282000      0.3572000      0.4632000
  1 1 1      14   17    2 o    2.614000      0.3625000       3.047000 0.4875000       2.180000      0.5367000      0.8672000      0.7251000
  1 1 1      14   17    3 o    7.334000      0.1857000       7.294000 0.2592000       7.374000      0.2659000     -0.8038000E-01  0.3714000
  1 1 1      14   17    4 o    9.811000      0.1827000       9.646000 0.2570000       9.976000      0.2597000     -0.3299000      0.3654000
  1 1 1      14   17    5 o    9.536000      0.1762000       9.696000 0.2477000       9.376000      0.2506000      0.3209000      0.3523000
  1 1 1      14   17    6 o    13.06000      0.2051000       13.55000 0.2935000       12.56000      0.2867000      0.9895000      0.4103000
  1 1 1      14   17    7 o    2.823000      0.2698000       2.603000 0.4142000       3.042000      0.3459000     -0.4396000      0.5396000
  1 1 1      14   17    8 o    8.383000      0.1654000       8.220000 0.2298000       8.546000      0.2379000     -0.3259000      0.3308000
  1 1 1      14   17    9 o    5.718000      0.1604000       5.578000 0.2291000       5.857000      0.2247000     -0.2796000      0.3209000
  1 1 1      14   17   10 o    5.258000      0.1716000       5.339000 0.2208000       5.176000      0.2628000      0.1637000      0.3433000
  1 1 1      14   17   11 o    7.464000      0.1674000       7.526000 0.2196000       7.402000      0.2526000      0.1237000      0.3347000
  1 1 1      14   17   12 o    7.341000      0.1853000       7.323000 0.2344000       7.360000      0.2872000     -0.3692000E-01  0.3707000
  1 1 1      14   17   13 o    2.672000      0.3698000       2.705000 0.4320000       2.639000      0.6002000      0.6596000E-01  0.7395000
  1 1 1      14   17   14 o    5.544000      0.2248000       5.617000 0.2936000       5.472000      0.3404000      0.1455000      0.4495000
  1 1 1      14   17   15 o    11.84000      0.2448000       11.78000 0.3295000       11.90000      0.3622000     -0.1198000      0.4896000
  1 1 1      14   17   16 o    6.556000      0.2209000       6.118000 0.3117000       6.993000      0.3130000     -0.8749000      0.4417000
  1 1 1      14   17   17 o    3.049000      0.3863000       3.070000 0.5205000       3.029000      0.5711000      0.4012000E-01  0.7727000
  1 1 1      14   17   18 o    1.923000      0.4980000       1.700000 0.7032000       2.146000      0.7053000     -0.4461000      0.9960000
  1 1 1      14   17   19 o    3.871000      0.3769000       4.051000 0.5295000       3.691000      0.5366000      0.3601000      0.7539000
  1 1 1      14   17   20 o    1.800000      0.4808000       2.268000 0.7445000       1.332000      0.6086000      0.9362000      0.9616000
  1 1 1      14   17   21 o    3.791000      0.4353000       3.629000 0.6633000       3.952000      0.5640000     -0.3234000      0.8707000
  1 1 1      14   17   22 o    4.414000      0.3496000       4.190000 0.5531000       4.638000      0.4277000     -0.4482000      0.6991000
  1 1 1      14   17   23 f    2.846000      0.5034000       2.625000 0.7653000       3.067000      0.6542000     -0.4419000       1.007000
  1 1 1      14   17   24 o    5.903000      0.2859000       5.400000 0.4458000       6.406000      0.3580000      -1.006000      0.5717000
  1 1 1      14   17   25 o    2.924000      0.4975000       2.463000 0.7975000       3.386000      0.5950000     -0.9225000      0.9950000
  1 1 1      14   17   26 f    3.051000      0.5417000       3.142000 0.8056000       2.961000      0.7245000      0.1810000       1.083000
  1 1 1      14   17   27 o    4.028000      0.4755000       4.250000 0.7174000       3.807000      0.6243000      0.4427000      0.9510000
  1 1 1      14   17   28 o    6.978000      0.5525000       7.272000 0.4801000       6.684000      0.9953000      0.5878000       1.105000
  1 1 1      14   17   29 o    4.368000      0.4707000       4.446000 0.7353000       4.290000      0.5878000      0.1561000      0.9414000
  1 1 1      14   17   30 o    5.079000      0.4745000       4.225000 0.8190000       5.932000      0.4793000      -1.707000      0.9489000
  1 1 1      14   17   31 o    3.119000      0.5919000       2.401000 0.9523000       3.837000      0.7032000      -1.436000       1.184000
  1 1 1      14   17   32 o    2.375000      0.6310000       2.780000 0.9604000       1.970000      0.8186000      0.8096000       1.262000
  1 1 1      14   17   33 o    2.490000      0.7643000       2.650000 1.124000       2.330000       1.036000      0.3196000       1.529000
  1 1 1      14   18    0 o    4.372000      0.2514000       4.271000 0.3660000       4.473000      0.3448000     -0.2023000      0.5028000
  1 1 1      14   18    1 o    6.068000      0.2089000       5.902000 0.3010000       6.234000      0.2897000     -0.3320000      0.4178000
  1 1 1      14   18    2 o    4.922000      0.2186000       5.098000 0.3017000       4.746000      0.3163000      0.3524000      0.4371000
  1 1 1      14   18    3 o    8.129000      0.1774000       8.071000 0.2471000       8.187000      0.2547000     -0.1165000      0.3548000
  1 1 1      14   18    4 o    7.872000      0.1758000       7.837000 0.2523000       7.908000      0.2450000     -0.7168000E-01  0.3517000
  1 1 1      14   18    5 o    7.981000      0.1725000       7.996000 0.2403000       7.966000      0.2476000      0.3028000E-01  0.3450000
  1 1 1      14   18    6 o    7.943000      0.2374000       7.943000 0.2374000                  ?              ?              ?              ?
  1 1 1      14   18    7 o    5.009000      0.1831000       4.762000 0.2696000       5.255000      0.2480000     -0.4923000      0.3663000
  1 1 1      14   18    8 f    4.147000      0.3088000                  ?       ?   4.147000      0.3088000                  ?              ?
  1 1 1      14   18    9 o    1.898000      0.3627000       1.911000 0.4989000       1.884000      0.5266000      0.2660000E-01  0.7254000
  1 1 1      14   18   10 o    9.563000      0.1761000       9.726000 0.2400000       9.400000      0.2579000      0.3256000      0.3523000
  1 1 1      14   18   11 o    5.454000      0.1969000       5.292000 0.2586000       5.617000      0.2971000     -0.3250000      0.3938000
  1 1 1      14   18   12 o    5.744000      0.2155000       5.723000 0.2614000       5.765000      0.3427000     -0.4161000E-01  0.4310000
  1 1 1      14   18   13 o    4.232000      0.2772000       4.300000 0.3505000       4.163000      0.4296000      0.1363000      0.5544000
  1 1 1      14   18   14 o    2.486000      0.4330000       2.591000 0.5699000       2.380000      0.6521000      0.2112000      0.8660000
  1 1 1      14   18   15 o    6.852000      0.2250000       6.625000 0.3132000       7.080000      0.3232000     -0.4557000      0.4501000
  1 1 1      14   18   16 o    7.174000      0.2255000       6.790000 0.3071000       7.557000      0.3303000     -0.7669000      0.4510000
  1 1 1      14   18   17 o    5.029000      0.2946000       5.288000 0.4195000       4.770000      0.4137000      0.5185000      0.5892000
  1 1 1      14   18   18 o    13.22000      0.2561000       13.36000 0.3551000       13.07000      0.3691000      0.2890000      0.5121000
  1 1 1      14   18   19 o    5.986000      0.2818000       5.879000 0.4085000       6.093000      0.3884000     -0.2140000      0.5637000
  1 1 1      14   18   20 f    6.190000      0.3088000       6.011000 0.4647000       6.368000      0.4068000     -0.3574000      0.6176000
  1 1 1      14   18   21 o    4.980000      0.3680000       4.394000 0.5739000       5.567000      0.4607000      -1.173000      0.7359000
  1 1 1      14   18   22 f    2.492000      0.5502000       1.897000 0.7916000       3.088000      0.7643000      -1.191000       1.100000
  1 1 1      14   18   23 o    5.344000      0.3235000       4.985000 0.5165000       5.704000      0.3896000     -0.7186000      0.6469000
  1 1 1      14   18   24 o    4.974000      0.3523000       5.019000 0.5119000       4.929000      0.4842000      0.9031000E-01  0.7046000
  1 1 1      14   18   25 o    3.275000      0.5084000       3.224000 0.7809000       3.326000      0.6513000     -0.1021000       1.017000
  1 1 1      14   18   26 o    1.850000      0.5345000       1.646000 0.7493000       2.054000      0.7626000     -0.4074000       1.069000
  1 1 1      14   18   27 o    6.908000      0.3281000       6.492000 0.5181000       7.324000      0.4026000     -0.8322000      0.6561000
  1 1 1      14   18   28 o    11.07000      0.3268000       10.77000 0.4764000       11.36000      0.4475000     -0.5885000      0.6536000
  1 1 1      14   18   29 o    4.501000      0.9880000       4.365000 1.432000       4.638000       1.362000     -0.2737000       1.976000
  1 1 1      14   18   30 o    4.865000      0.9537000       4.283000 1.417000       5.447000       1.276000      -1.164000       1.907000
  1 1 1      14   18   31 f    3.672000      0.9663000       3.643000 1.361000       3.702000       1.372000     -0.5886000E-01   1.933000
  1 1 1      14   18   32 o    2.828000      0.6534000       3.436000 0.9614000       2.220000      0.8851000       1.216000       1.307000
  1 1 1      14   19    0 o    9.034000      0.3006000       8.420000 0.3861000       9.647000      0.4610000      -1.227000      0.6013000
  1 1 1      14   19    1 o    4.501000      0.4089000       4.429000 0.4766000       4.573000      0.6647000     -0.1443000      0.8179000
  1 1 1      14   19    2 o    2.512000      0.5397000       2.193000 0.7014000       2.831000      0.8203000     -0.6379000       1.079000
  1 1 1      14   19    3 o    2.769000      0.5125000       2.965000 0.6330000       2.572000      0.8061000      0.3932000       1.025000
  1 1 1      14   19    4 o    6.194000      0.1831000       6.124000 0.2640000       6.265000      0.2537000     -0.1413000      0.3661000
  1 1 1      14   19    5 o    8.185000      0.1731000       8.239000 0.2420000       8.130000      0.2476000      0.1093000      0.3463000
  1 1 1      14   19    6 o    6.120000      0.2490000       6.120000 0.2490000                  ?              ?              ?              ?
  1 1 1      14   19    7 f    10.03000      0.1791000       9.933000 0.2473000       10.13000      0.2590000     -0.1989000      0.3581000
  1 1 1      14   19    8 o    4.800000      0.2840000                  ?       ?   4.800000      0.2840000                  ?              ?
  1 1 1      14   19    9 o    7.276000      0.1730000       7.147000 0.2344000       7.405000      0.2546000     -0.2573000      0.3461000
  1 1 1      14   19   10 o    7.412000      0.1855000       7.246000 0.2437000       7.578000      0.2797000     -0.3316000      0.3710000
  1 1 1      14   19   11 o    3.940000      0.2661000       3.847000 0.3124000       4.033000      0.4308000     -0.1860000      0.5322000
  1 1 1      14   19   12 o    4.427000      0.2762000       4.216000 0.3685000       4.639000      0.4116000     -0.4233000      0.5524000
  1 1 1      14   19   13 o    8.748000      0.2172000       8.716000 0.2786000       8.780000      0.3332000     -0.6414000E-01  0.4344000
  1 1 1      14   19   14 o    5.625000      0.2407000       5.915000 0.3227000       5.335000      0.3573000      0.5804000      0.4815000
  1 1 1      14   19   15 o    5.786000      0.2457000       5.732000 0.3409000       5.840000      0.3538000     -0.1080000      0.4913000
  1 1 1      14   19   16 o    6.020000      0.2448000       5.803000 0.3480000       6.238000      0.3444000     -0.4355000      0.4896000
  1 1 1      14   19   17 o    2.224000      0.5254000       1.967000 0.7399000       2.480000      0.7460000     -0.5127000       1.051000
  1 1 1      14   19   18 o    7.795000      0.2660000       7.840000 0.3870000       7.751000      0.3652000      0.8896000E-01  0.5321000
  1 1 1      14   19   19 o    5.806000      0.3079000       5.818000 0.4465000       5.794000      0.4240000      0.2358000E-01  0.6157000
  1 1 1      14   19   20 o    2.812000      0.5999000       2.747000 0.8863000       2.878000      0.8088000     -0.1308000       1.200000
  1 1 1      14   19   21 o    2.577000      0.5707000       2.074000 0.8194000       3.081000      0.7947000      -1.006000       1.141000
  1 1 1      14   19   22 o    6.791000      0.3081000       7.312000 0.4386000       6.270000      0.4329000       1.041000      0.6162000
  1 1 1      14   19   23 o    3.892000      0.4626000       3.155000 0.7821000       4.629000      0.4944000      -1.474000      0.9253000
  1 1 1      14   19   24 o    5.093000      0.8339000       3.451000 1.391000       6.734000      0.9203000      -3.283000       1.668000
  1 1 1      14   19   25 o    4.602000       1.006000       4.787000 1.545000       4.417000       1.290000      0.3702000       2.012000
  1 1 1      14   19   26 o    5.640000      0.9312000       4.342000 1.609000       6.939000      0.9377000      -2.596000       1.862000
  1 1 1      14   19   27 o    3.846000       1.011000       4.162000 1.541000       3.530000       1.310000      0.6322000       2.022000
  1 1 1      14   19   28 o    1.932000      0.5829000       1.841000 0.8207000       2.024000      0.8281000     -0.1828000       1.166000
  1 1 1      14   19   29 o    1.871000      0.5793000       2.177000 0.8994000       1.564000      0.7303000      0.6128000       1.159000
  1 1 1      14   19   30 o    1.850000      0.5799000       2.217000 0.9241000       1.484000      0.7006000      0.7327000       1.160000
  1 1 1      14   19   31 o    3.383000      0.6402000       2.803000 1.015000       3.962000      0.7807000      -1.159000       1.280000
  1 1 1      14   19   32 o    4.587000      0.6137000       4.278000 0.9671000       4.897000      0.7558000     -0.6190000       1.227000
  1 1 1      14   20    0 o    10.83000      0.2050000       10.93000 0.2930000       10.73000      0.2869000      0.2018000      0.4101000
  1 1 1      14   20    1 o    6.030000      0.2045000       5.875000 0.3023000       6.186000      0.2754000     -0.3102000      0.4090000
  1 1 1      14   20    2 o    3.911000      0.2583000       3.614000 0.3955000       4.209000      0.3325000     -0.5951000      0.5167000
  1 1 1      14   20    3 o    1.299000      0.3861000       1.496000 0.5902000       1.102000      0.4979000      0.3942000      0.7722000
  1 1 1      14   20    4 o    2.476000      0.4191000       2.615000 0.7050000       2.338000      0.4535000      0.2767000      0.8382000
  1 1 1      14   20    5 o    3.796000      0.4532000       4.001000 0.5041000       3.592000      0.7533000      0.4088000      0.9064000
  1 1 1      14   20    7 o    5.061000      0.2952000       4.574000 0.3929000       5.548000      0.4406000     -0.9731000      0.5903000
  1 1 1      14   20    9 o    4.648000      0.3053000       4.158000 0.4281000       5.138000      0.4354000     -0.9804000      0.6106000
  1 1 1      14   20   10 o    6.948000      0.2538000       6.507000 0.3388000       7.389000      0.3781000     -0.8817000      0.5077000
  1 1 1      14   20   11 o    1.840000      0.4844000       1.989000 0.6735000       1.690000      0.6963000      0.2984000      0.9687000
  1 1 1      14   20   12 o    5.977000      0.2603000       6.003000 0.3300000       5.951000      0.4027000      0.5130000E-01  0.5206000
  1 1 1      14   20   13 o    10.84000      0.2590000       11.21000 0.3653000       10.48000      0.3673000      0.7240000      0.5180000
  1 1 1      14   20   14 o    4.499000      0.2951000       4.222000 0.4151000       4.776000      0.4195000     -0.5544000      0.5901000
  1 1 1      14   20   15 o    4.737000      0.2921000       4.799000 0.4036000       4.676000      0.4222000      0.1230000      0.5841000
  1 1 1      14   20   16 o    5.623000      0.2822000       5.477000 0.4132000       5.769000      0.3846000     -0.2919000      0.5645000
  1 1 1      14   20   17 f    2.282000      0.5669000       2.283000 0.8359000       2.282000      0.7661000      0.1430000E-02   1.134000
  1 1 1      14   20   18 o    6.133000      0.3502000       5.946000 0.5335000       6.319000      0.4539000     -0.3733000      0.7005000
  1 1 1      14   20   20 o    3.467000      0.7411000       3.684000 1.158000       3.250000      0.9249000      0.4336000       1.482000
  1 1 1      14   20   21 f    3.620000      0.8673000       4.142000 1.351000       3.098000       1.088000       1.044000       1.735000
  1 1 1      14   20   22 o    2.796000      0.8130000       2.771000 1.249000       2.821000       1.041000     -0.5031000E-01   1.626000
  1 1 1      14   20   23 o    2.757000      0.5873000       2.893000 0.8409000       2.622000      0.8200000      0.2714000       1.175000
  1 1 1      14   20   24 o    3.017000      0.5913000       3.055000 0.8548000       2.980000      0.8172000      0.7525000E-01   1.183000
  1 1 1      14   20   25 o    2.546000      0.5922000       2.282000 0.8723000       2.811000      0.8012000     -0.5287000       1.184000
  1 1 1      14   20   26 o    5.941000      0.3677000       6.060000 0.5594000       5.823000      0.4775000      0.2370000      0.7355000
  1 1 1      14   20   27 o    3.468000      0.5978000       3.066000 0.9508000       3.869000      0.7249000     -0.8035000       1.196000
  1 1 1      14   20   28 o    3.748000      0.5999000       5.107000 0.7901000       2.389000      0.9030000       2.718000       1.200000
  1 1 1      14   20   29 o    2.605000      0.6845000       2.686000 1.009000       2.524000      0.9252000      0.1620000       1.369000
  1 1 1      14   20   30 o    3.621000      0.7034000       3.695000 1.049000       3.547000      0.9372000      0.1483000       1.407000
  1 1 1      14   20   31 o    2.245000      0.6429000       2.637000 0.9891000       1.853000      0.8216000      0.7844000       1.286000
  1 1 1      14   21    0 o    8.893000      0.2557000       9.004000 0.3810000       8.781000      0.3410000      0.2222000      0.5113000
  1 1 1      14   21    1 o    1.896000      0.4830000       2.345000 0.7609000       1.447000      0.5950000      0.8973000      0.9660000
  1 1 1      14   21    2 o    5.129000      0.2903000       4.561000 0.4763000       5.697000      0.3319000      -1.136000      0.5806000
  1 1 1      14   21    3 o    6.408000      0.2334000       6.515000 0.3443000       6.301000      0.3152000      0.2139000      0.4668000
  1 1 1      14   21    4 o    3.957000      0.2275000       3.702000 0.3329000       4.213000      0.3103000     -0.5118000      0.4551000
  1 1 1      14   21    5 o    2.897000      0.3353000       2.287000 0.5364000       3.508000      0.4024000      -1.221000      0.6706000
  1 1 1      14   21    6 o    2.906000      0.3198000       3.031000 0.4070000       2.780000      0.4936000      0.2511000      0.6397000
  1 1 1      14   21    7 o    4.412000      0.2323000       4.399000 0.3123000       4.424000      0.3441000     -0.2500000E-01  0.4647000
  1 1 1      14   21    8 o    5.071000      0.2265000       4.715000 0.3099000       5.427000      0.3304000     -0.7125000      0.4530000
  1 1 1      14   21    9 o    7.461000      0.1974000       7.312000 0.2688000       7.610000      0.2893000     -0.2973000      0.3948000
  1 1 1      14   21   10 o    10.18000      0.2047000       10.29000 0.2745000       10.07000      0.3037000      0.2276000      0.4094000
  1 1 1      14   21   11 o    2.740000      0.4351000       2.103000 0.6374000       3.376000      0.5924000      -1.273000      0.8702000
  1 1 1      14   21   12 o    5.265000      0.2686000       5.162000 0.3391000       5.368000      0.4167000     -0.2056000      0.5373000
  1 1 1      14   21   13 o    5.487000      0.2721000       5.280000 0.3712000       5.695000      0.3979000     -0.4152000      0.5442000
  1 1 1      14   21   14 o    7.198000      0.2484000       7.060000 0.3408000       7.335000      0.3614000     -0.2745000      0.4967000
  1 1 1      14   21   15 o    1.893000      0.4636000       1.300000 0.5943000       2.485000      0.7118000      -1.185000      0.9272000
  1 1 1      14   21   16 o    1.475000      0.4680000       1.532000 0.6830000       1.419000      0.6401000      0.1131000      0.9360000
  1 1 1      14   21   17 o    4.274000      0.4305000       4.331000 0.6181000       4.217000      0.5995000      0.1142000      0.8610000
  1 1 1      14   21   18 o    6.310000      0.3274000       6.438000 0.4857000       6.182000      0.4392000      0.2557000      0.6548000
  1 1 1      14   21   19 o    2.213000      0.5914000       2.525000 0.8827000       1.900000      0.7873000      0.6244000       1.183000
  1 1 1      14   21   20 o    3.481000      0.6847000       2.734000 1.140000       4.227000      0.7581000      -1.493000       1.369000
  1 1 1      14   21   21 o    7.243000      0.3287000       7.477000 0.4688000       7.008000      0.4609000      0.4690000      0.6575000
  1 1 1      14   21   22 o    3.094000      0.5894000       3.161000 0.8491000       3.027000      0.8177000      0.1338000       1.179000
  1 1 1      14   21   23 o    2.595000      0.6575000       2.316000 0.9207000       2.873000      0.9388000     -0.5563000       1.315000
  1 1 1      14   21   24 o    6.808000      0.3749000       6.952000 0.5326000       6.663000      0.5278000      0.2890000      0.7498000
  1 1 1      14   21   25 o    2.807000      0.6553000       2.841000 0.9561000       2.772000      0.8963000      0.6958000E-01   1.311000
  1 1 1      14   21   26 o    4.496000      0.5076000       4.321000 0.7937000       4.671000      0.6330000     -0.3506000       1.015000
  1 1 1      14   21   27 o    2.465000      0.6395000       2.778000 0.9571000       2.151000      0.8484000      0.6272000       1.279000
  1 1 1      14   21   28 o    4.392000      0.5921000       3.989000 0.9559000       4.796000      0.6988000     -0.8072000       1.184000
  1 1 1      14   21   29 o    2.101000      0.6345000       2.346000 0.9584000       1.856000      0.8319000      0.4896000       1.269000
  1 1 1      14   21   30 o    2.579000      0.6772000       3.062000 1.035000       2.097000      0.8731000      0.9651000       1.354000
  1 1 1      14   21   31 o    2.156000      0.6339000       2.649000 1.006000       1.663000      0.7712000      0.9856000       1.268000
  1 1 1      14   22    0 o    6.993000      0.2042000       7.051000 0.2989000       6.935000      0.2782000      0.1164000      0.4084000
  1 1 1      14   22    1 o    4.449000      0.2553000       4.258000 0.3913000       4.640000      0.3281000     -0.3824000      0.5106000
  1 1 1      14   22    2 o    1.146000      0.3656000       1.297000 0.5636000      0.9956000      0.4660000      0.3019000      0.7313000
  1 1 1      14   22    3 o    4.480000      0.2450000       4.276000 0.3618000       4.684000      0.3306000     -0.4075000      0.4901000
  1 1 1      14   22    4 o    4.504000      0.2441000       4.579000 0.3512000       4.428000      0.3391000      0.1515000      0.4881000
  1 1 1      14   22    5 f    8.920000      0.2449000       8.893000 0.3506000       8.947000      0.3420000     -0.5415000E-01  0.4898000
  1 1 1      14   22    6 o    4.348000      0.3305000       4.155000 0.4878000       4.541000      0.4460000     -0.3863000      0.6609000
  1 1 1      14   22    7 o    10.39000      0.2732000       10.87000 0.3848000       9.916000      0.3879000      0.9587000      0.5464000
  1 1 1      14   22    8 o    9.785000      0.2926000       9.674000 0.3873000       9.896000      0.4386000     -0.2227000      0.5851000
  1 1 1      14   22    9 o    4.964000      0.4327000       5.038000 0.5449000       4.890000      0.6723000      0.1484000      0.8654000
  1 1 1      14   22   10 o    2.489000      0.7245000       2.326000 0.9430000       2.651000       1.100000     -0.3256000       1.449000
  1 1 1      14   22   11 o    4.828000      0.8646000       5.048000 0.8515000       4.608000       1.505000      0.4393000       1.729000
  1 1 1      14   22   12 o    5.522000      0.9311000       5.301000 0.9341000       5.743000       1.611000     -0.4426000       1.862000
  1 1 1      14   22   13 o    4.808000       1.221000       4.436000 1.385000       5.180000       2.011000     -0.7449000       2.442000
  1 1 1      14   22   14 o    3.368000       1.051000       2.426000 1.156000       4.310000       1.755000      -1.884000       2.101000
  1 1 1      14   22   15 o    4.383000       1.062000       3.815000 1.459000       4.952000       1.542000      -1.137000       2.123000
  1 1 1      14   22   16 o    2.848000      0.9211000       3.164000 1.348000       2.531000       1.256000      0.6328000       1.842000
  1 1 1      14   22   17 o    4.729000      0.9507000       6.080000 1.316000       3.377000       1.372000       2.703000       1.901000
  1 1 1      14   22   18 o    5.814000      0.8398000       7.364000 0.8515000       4.263000       1.448000       3.100000       1.680000
  1 1 1      14   22   19 o    3.205000      0.9241000       3.029000 1.191000       3.382000       1.414000     -0.3531000       1.848000
  1 1 1      14   22   20 o    4.286000      0.8679000       4.902000 1.110000       3.671000       1.334000       1.231000       1.736000
  1 1 1      14   22   21 o    6.416000      0.3630000       6.487000 0.5128000       6.346000      0.5140000      0.1407000      0.7261000
  1 1 1      14   22   22 o    1.933000      0.5876000       1.766000 0.7935000       2.100000      0.8668000     -0.3342000       1.175000
  1 1 1      14   22   23 o    5.060000      0.4627000       4.526000 0.7206000       5.593000      0.5805000      -1.067000      0.9253000
  1 1 1      14   22   24 o    6.629000      0.3394000       6.162000 0.5162000       7.096000      0.4408000     -0.9340000      0.6788000
  1 1 1      14   22   25 o    1.844000      0.5645000       1.589000 0.7475000       2.099000      0.8462000     -0.5097000       1.129000
  1 1 1      14   22   26 o    2.469000      0.6132000       2.051000 0.8753000       2.887000      0.8590000     -0.8356000       1.226000
  1 1 1      14   22   27 o    2.528000      0.6557000       2.970000 1.003000       2.087000      0.8443000      0.8822000       1.311000
  1 1 1      14   22   28 o    3.528000      0.6571000       3.063000 1.010000       3.994000      0.8413000     -0.9302000       1.314000
  1 1 1      14   22   29 o    3.395000      0.6877000       3.113000 1.039000       3.677000      0.9011000     -0.5641000       1.375000
  1 1 1      14   22   30 o    1.963000      0.6113000       1.714000 0.8201000       2.211000      0.9068000     -0.4973000       1.223000
  1 1 1      14   23    0 o    2.795000      0.4034000       2.329000 0.6695000       3.260000      0.4503000     -0.9318000      0.8069000
  1 1 1      14   23    1 o    3.747000      0.2821000       3.859000 0.4180000       3.635000      0.3791000      0.2233000      0.5643000
  1 1 1      14   23    2 o    3.519000      0.2986000       3.223000 0.4788000       3.815000      0.3571000     -0.5919000      0.5973000
  1 1 1      14   23    3 o    2.389000      0.3837000       1.705000 0.6028000       3.073000      0.4750000      -1.368000      0.7675000
  1 1 1      14   23    4 o    6.349000      0.2069000       6.241000 0.2883000       6.457000      0.2968000     -0.2160000      0.4137000
  1 1 1      14   23    5 o    8.226000      0.1895000       8.248000 0.2614000       8.205000      0.2745000      0.4291000E-01  0.3790000
  1 1 1      14   23    6 o    1.950000      0.4241000       2.342000 0.5828000       1.557000      0.6163000      0.7860000      0.8482000
  1 1 1      14   23    7 o    11.49000      0.2880000       11.49000 0.2880000                  ?              ?              ?              ?
  1 1 1      14   23    8 o    5.800000      0.2465000       5.743000 0.3095000       5.856000      0.3837000     -0.1130000      0.4930000
  1 1 1      14   23    9 o    3.575000      0.5966000                  ?       ?   3.575000      0.5966000                  ?              ?
  1 1 1      14   23   10 o    5.943000      0.2737000       6.214000 0.3350000       5.671000      0.4328000      0.5425000      0.5473000
  1 1 1      14   23   11 o    5.274000      0.3014000       5.454000 0.3609000       5.095000      0.4827000      0.3591000      0.6028000
  1 1 1      14   23   12 o    1.915000      0.4832000       1.336000 0.6137000       2.493000      0.7467000      -1.157000      0.9665000
  1 1 1      14   23   13 o    2.453000      0.5209000       2.233000 0.7338000       2.672000      0.7396000     -0.4385000       1.042000
  1 1 1      14   23   14 o    2.479000      0.5100000       2.022000 0.7414000       2.935000      0.7005000     -0.9131000       1.020000
  1 1 1      14   23   15 o    3.434000      0.4793000       3.891000 0.5965000       2.978000      0.7504000      0.9132000      0.9586000
  1 1 1      14   23   16 o    5.835000      0.3460000       5.613000 0.5051000       6.057000      0.4730000     -0.4437000      0.6920000
  1 1 1      14   23   17 o    9.488000      0.3084000       9.225000 0.4333000       9.750000      0.4390000     -0.5249000      0.6168000
  1 1 1      14   23   18 o    2.996000      0.6011000       2.508000 0.9020000       3.484000      0.7948000     -0.9764000       1.202000
  1 1 1      14   23   19 o    2.224000      0.6214000       2.229000 0.8813000       2.218000      0.8762000      0.1128000E-01   1.243000
  1 1 1      14   23   20 o    2.266000      0.6613000       2.376000 0.9640000       2.155000      0.9055000      0.2217000       1.323000
  1 1 1      14   23   21 o    2.907000      0.6672000       3.039000 0.9339000       2.774000      0.9531000      0.2650000       1.334000
  1 1 1      14   23   22 o    2.407000      0.6509000       2.108000 0.8786000       2.707000      0.9604000     -0.5985000       1.302000
  1 1 1      14   23   23 o    4.567000      0.5102000       4.212000 0.7664000       4.922000      0.6738000     -0.7101000       1.020000
  1 1 1      14   23   24 o    3.379000      0.5426000       2.199000 0.8817000       4.560000      0.6326000      -2.361000       1.085000
  1 1 1      14   23   25 o    2.437000      0.5792000       1.588000 0.7538000       3.287000      0.8796000      -1.698000       1.158000
  1 1 1      14   23   26 o    4.797000      0.5350000       4.262000 0.8897000       5.332000      0.5945000      -1.069000       1.070000
  1 1 1      14   23   27 o    1.855000      0.5833000       1.715000 0.8051000       1.996000      0.8443000     -0.2804000       1.167000
  1 1 1      14   23   28 o    2.663000      0.6692000       2.189000 0.9444000       3.137000      0.9483000     -0.9481000       1.338000
  1 1 1      14   23   29 o    5.124000      0.5626000       5.526000 0.7625000       4.721000      0.8275000      0.8052000       1.125000
  1 1 1      14   24    0 o    4.838000      0.2515000       5.328000 0.3387000       4.348000      0.3718000      0.9792000      0.5030000
  1 1 1      14   24    1 o    2.175000      0.4460000       1.860000 0.6853000       2.490000      0.5710000     -0.6297000      0.8920000
  1 1 1      14   24    2 o    12.50000      0.2168000       12.48000 0.3060000       12.51000      0.3072000     -0.2552000E-01  0.4336000
  1 1 1      14   24    3 o    21.62000      0.3103000       21.44000 0.4331000       21.81000      0.4445000     -0.3711000      0.6206000
  1 1 1      14   24    4 o    9.944000      0.2005000       9.787000 0.2784000       10.10000      0.2886000     -0.3148000      0.4010000
  1 1 1      14   24    5 o    5.084000      0.2369000       5.130000 0.3267000       5.037000      0.3431000      0.9335000E-01  0.4738000
  1 1 1      14   24    6 o    4.059000      0.3197000       4.135000 0.4034000       3.984000      0.4961000      0.1518000      0.6394000
  1 1 1      14   24    7 o    7.505000      0.2898000       7.505000 0.2898000                  ?              ?              ?              ?
  1 1 1      14   24    8 o    2.415000      0.4805000       2.659000 0.5968000       2.170000      0.7533000      0.4897000      0.9611000
  1 1 1      14   24    9 o    11.82000      0.3627000                  ?       ?   11.82000      0.3627000                  ?              ?
  1 1 1      14   24   10 o    2.014000      0.5037000       1.564000 0.6565000       2.464000      0.7642000     -0.9003000       1.007000
  1 1 1      14   24   11 o    4.884000      0.3268000       4.683000 0.4292000       5.085000      0.4931000     -0.4015000      0.6537000
  1 1 1      14   24   12 o    4.649000      0.3507000       5.197000 0.4304000       4.100000      0.5538000       1.096000      0.7014000
  1 1 1      14   24   13 o    1.482000      0.4671000       1.579000 0.6804000       1.386000      0.6400000      0.1938000      0.9341000
  1 1 1      14   24   14 o    7.049000      0.2736000       7.087000 0.3792000       7.012000      0.3945000      0.7544000E-01  0.5472000
  1 1 1      14   24   15 o    1.700000      0.5150000       1.786000 0.7484000       1.614000      0.7077000      0.1719000       1.030000
  1 1 1      14   24   16 o    4.533000      0.4589000       5.053000 0.5952000       4.012000      0.6986000       1.040000      0.9177000
  1 1 1      14   24   17 o    6.781000      0.3505000       7.265000 0.4938000       6.297000      0.4974000      0.9674000      0.7009000
  1 1 1      14   24   18 o    2.086000      0.5788000       2.747000 0.9330000       1.424000      0.6852000       1.323000       1.158000
  1 1 1      14   24   19 o    6.236000      0.6370000       7.069000 0.4729000       5.404000       1.183000       1.664000       1.274000
  1 1 1      14   24   20 o    2.410000      0.6761000       2.272000 0.9415000       2.549000      0.9707000     -0.2778000       1.352000
  1 1 1      14   24   21 o    7.228000      0.3579000       7.140000 0.4969000       7.317000      0.5153000     -0.1769000      0.7159000
  1 1 1      14   24   22 o    2.081000      0.6269000       2.212000 0.9054000       1.951000      0.8673000      0.2611000       1.254000
  1 1 1      14   24   23 f    3.984000      0.6266000       4.047000 0.8697000       3.921000      0.9022000      0.1259000       1.253000
  1 1 1      14   24   24 o    5.682000      0.4434000       5.248000 0.6985000       6.116000      0.5464000     -0.8681000      0.8868000
  1 1 1      14   24   25 o    2.120000      0.6347000       2.230000 0.9324000       2.010000      0.8615000      0.2196000       1.269000
  1 1 1      14   24   26 o    3.436000      0.7151000       3.724000 1.053000       3.148000      0.9680000      0.5754000       1.430000
  1 1 1      14   24   27 o    3.222000      0.6290000       2.274000 0.9521000       4.170000      0.8222000      -1.896000       1.258000
  1 1 1      14   24   28 o    3.098000      0.6937000       3.834000 1.010000       2.362000      0.9509000       1.471000       1.387000
  1 1 1      14   24   29 o    2.573000      0.7139000       2.991000 1.087000       2.156000      0.9254000      0.8348000       1.428000
  1 1 1      14   25    0 o    7.399000      0.2126000       7.712000 0.3021000       7.086000      0.2993000      0.6269000      0.4252000
  1 1 1      14   25    1 o    4.046000      0.3082000       4.145000 0.4513000       3.946000      0.4198000      0.1991000      0.6163000
  1 1 1      14   25    2 o    7.498000      0.2137000       7.490000 0.2985000       7.506000      0.3059000     -0.1623000E-01  0.4274000
  1 1 1      14   25    3 o    11.37000      0.2133000       11.18000 0.2948000       11.57000      0.3085000     -0.3874000      0.4267000
  1 1 1      14   25    4 o    5.699000      0.2289000       5.731000 0.3032000       5.667000      0.3430000      0.6422000E-01  0.4578000
  1 1 1      14   25    5 o    14.15000      0.2317000       13.58000 0.3107000       14.72000      0.3439000      -1.146000      0.4635000
  1 1 1      14   25    6 o    4.875000      0.2933000       4.944000 0.3588000       4.806000      0.4641000      0.1377000      0.5866000
  1 1 1      14   25    7 o    1.879000      0.4723000       1.760000 0.6554000       1.997000      0.6803000     -0.2369000      0.9446000
  1 1 1      14   25    8 o    5.370000      0.2984000       5.278000 0.3673000       5.462000      0.4704000     -0.1846000      0.5968000
  1 1 1      14   25    9 o    4.771000      0.5723000                  ?       ?   4.771000      0.5723000                  ?              ?
  1 1 1      14   25   10 f    6.458000      0.2877000       6.553000 0.3588000       6.362000      0.4499000      0.1906000      0.5754000
  1 1 1      14   25   11 o    9.580000      0.2693000       10.25000 0.3395000       8.912000      0.4181000       1.336000      0.5386000
  1 1 1      14   25   12 o    9.700000      0.2696000       10.02000 0.3546000       9.375000      0.4061000      0.6494000      0.5391000
  1 1 1      14   25   13 o    10.96000      0.2871000       11.16000 0.4014000       10.76000      0.4105000      0.4063000      0.5742000
  1 1 1      14   25   14 o    8.311000      0.2843000       8.113000 0.3995000       8.509000      0.4046000     -0.3962000      0.5686000
  1 1 1      14   25   15 o    7.316000      0.3042000       7.322000 0.4205000       7.310000      0.4396000      0.1236000E-01  0.6083000
  1 1 1      14   25   16 o    5.860000      0.3825000       5.889000 0.5688000       5.831000      0.5114000      0.5837000E-01  0.7649000
  1 1 1      14   25   17 o    4.119000      0.5571000       3.752000 0.8768000       4.486000      0.6877000     -0.7343000       1.114000
  1 1 1      14   25   18 o    4.517000      0.4854000       4.490000 0.6748000       4.544000      0.6980000     -0.5426000E-01  0.9709000
  1 1 1      14   25   19 o    6.068000      0.4001000       6.297000 0.5400000       5.839000      0.5906000      0.4586000      0.8003000
  1 1 1      14   25   20 o    3.353000      0.6001000       4.578000 0.7747000       2.127000      0.9167000       2.451000       1.200000
  1 1 1      14   25   21 o    2.072000      0.6272000       2.115000 0.8885000       2.030000      0.8854000      0.8471000E-01   1.254000
  1 1 1      14   25   22 o    5.797000      0.4759000       5.750000 0.6496000       5.844000      0.6956000     -0.9449000E-01  0.9518000
  1 1 1      14   25   23 o    2.800000      0.7049000       2.743000 1.004000       2.857000      0.9903000     -0.1141000       1.410000
  1 1 1      14   25   24 o    3.669000      0.6390000       3.722000 0.9321000       3.616000      0.8743000      0.1060000       1.278000
  1 1 1      14   25   25 o    3.523000      0.6800000       2.929000 1.050000       4.117000      0.8640000      -1.188000       1.360000
  1 1 1      14   25   26 o    4.507000      0.6310000       4.272000 1.016000       4.741000      0.7487000     -0.4681000       1.262000
  1 1 1      14   25   27 o    2.631000      0.7141000       2.665000 1.041000       2.597000      0.9774000      0.6763000E-01   1.428000
  1 1 1      14   25   28 o    2.755000      0.7303000       3.172000 1.081000       2.338000      0.9822000      0.8339000       1.461000
  1 1 1      14   26    0 o    4.286000      0.3175000       4.471000 0.4513000       4.101000      0.4467000      0.3701000      0.6350000
  1 1 1      14   26    1 o    5.916000      0.2430000       5.743000 0.3377000       6.088000      0.3493000     -0.3459000      0.4859000
  1 1 1      14   26    2 o    2.242000      0.5256000       2.214000 0.8028000       2.270000      0.6787000     -0.5553000E-01   1.051000
  1 1 1      14   26    3 o    2.246000      0.4458000       1.641000 0.6573000       2.851000      0.6023000      -1.209000      0.8916000
  1 1 1      14   26    4 f    18.29000      0.2750000       18.26000 0.3837000       18.31000      0.3941000     -0.4869000E-01  0.5500000
  1 1 1      14   26    5 o    11.43000      0.2224000       11.66000 0.3007000       11.21000      0.3276000      0.4475000      0.4447000
  1 1 1      14   26    6 o    3.889000      0.3976000       4.240000 0.4216000       3.538000      0.6742000      0.7020000      0.7952000
  1 1 1      14   26    7 o    4.060000      0.4120000       4.779000 0.3808000       3.341000      0.7307000       1.438000      0.8239000
  1 1 1      14   26    8 o    5.966000      0.3169000       6.490000 0.3513000       5.442000      0.5275000       1.048000      0.6338000
  1 1 1      14   26    9 o    2.147000      0.5126000       1.292000 0.6013000       3.003000      0.8303000      -1.711000       1.025000
  1 1 1      14   26   10 o    3.995000      0.4319000       4.607000 0.4727000       3.383000      0.7231000       1.224000      0.8639000
  1 1 1      14   26   11 o    3.034000      0.5515000       3.216000 0.7124000       2.851000      0.8422000      0.3649000       1.103000
  1 1 1      14   26   12 o    5.381000      0.3500000       5.973000 0.4350000       4.789000      0.5484000       1.184000      0.6999000
  1 1 1      14   26   13 o    11.21000      0.2944000       11.12000 0.4071000       11.30000      0.4255000     -0.1822000      0.5889000
  1 1 1      14   26   14 o    8.158000      0.2875000       7.877000 0.3959000       8.439000      0.4170000     -0.5620000      0.5750000
  1 1 1      14   26   15 o    7.854000      0.3278000       8.384000 0.4305000       7.324000      0.4943000       1.061000      0.6555000
  1 1 1      14   26   16 f    3.046000      0.6269000       2.507000 0.9291000       3.584000      0.8419000      -1.077000       1.254000
  1 1 1      14   26   17 o    3.459000      0.5828000       2.496000 0.9130000       4.421000      0.7245000      -1.925000       1.166000
  1 1 1      14   26   18 o    3.729000      0.5970000       3.273000 0.9170000       4.186000      0.7646000     -0.9131000       1.194000
  1 1 1      14   26   19 o    4.018000      0.5887000       4.309000 0.7393000       3.728000      0.9164000      0.5806000       1.177000
  1 1 1      14   26   20 o    3.043000      0.6855000       2.265000 0.9324000       3.821000       1.005000      -1.556000       1.371000
  1 1 1      14   26   21 o    2.384000      0.6404000       1.639000 0.7742000       3.130000       1.020000      -1.491000       1.281000
  1 1 1      14   26   22 o    3.742000      0.6796000       4.276000 0.8964000       3.208000       1.022000       1.068000       1.359000
  1 1 1      14   26   23 o    4.260000      0.6591000       4.563000 0.9226000       3.957000      0.9415000      0.6055000       1.318000
  1 1 1      14   26   24 o    2.076000      0.6441000       2.304000 0.9747000       1.848000      0.8421000      0.4554000       1.288000
  1 1 1      14   26   25 o    2.968000      0.7304000       3.222000 1.090000       2.713000      0.9728000      0.5090000       1.461000
  1 1 1      14   26   26 o    2.429000      0.7148000       2.653000 1.060000       2.204000      0.9589000      0.4485000       1.430000
  1 1 1      14   26   27 o    2.527000      0.7051000       2.042000 0.9336000       3.011000       1.057000     -0.9690000       1.410000
  1 1 1      14   27    0 o    3.079000      0.4209000       3.578000 0.5217000       2.581000      0.6605000      0.9971000      0.8417000
  1 1 1      14   27    1 f    7.943000      0.2223000       7.806000 0.3090000       8.080000      0.3197000     -0.2737000      0.4446000
  1 1 1      14   27    2 o    4.787000      0.2857000       4.523000 0.3949000       5.051000      0.4131000     -0.5281000      0.5714000
  1 1 1      14   27    3 o    14.41000      0.2391000       14.24000 0.3298000       14.58000      0.3464000     -0.3317000      0.4783000
  1 1 1      14   27    4 o    14.02000      0.2418000       14.04000 0.3301000       14.00000      0.3535000      0.3887000E-01  0.4836000
  1 1 1      14   27    5 o    2.289000      0.5426000       2.254000 0.7251000       2.325000      0.8074000     -0.7122000E-01   1.085000
  1 1 1      14   27    6 o    2.348000      0.5277000       1.882000 0.6948000       2.814000      0.7943000     -0.9324000       1.055000
  1 1 1      14   27    7 o    6.422000      0.2886000       6.795000 0.3251000       6.048000      0.4768000      0.7469000      0.5771000
  1 1 1      14   27    8 o    3.900000      0.4779000       3.981000 0.5164000       3.819000      0.8043000      0.1615000      0.9558000
  1 1 1      14   27    9 o    6.408000      0.3156000       6.113000 0.3906000       6.703000      0.4957000     -0.5902000      0.6312000
  1 1 1      14   27   10 o    1.654000      0.4923000      0.9632000 0.4815000       2.345000      0.8589000      -1.382000      0.9847000
  1 1 1      14   27   11 o    3.833000      0.4552000       4.153000 0.5861000       3.512000      0.6966000      0.6408000      0.9103000
  1 1 1      14   27   12 o    1.867000      0.5455000       1.822000 0.7578000       1.912000      0.7848000     -0.8990000E-01   1.091000
  1 1 1      14   27   13 o    4.665000      0.4066000       4.709000 0.5363000       4.622000      0.6114000      0.8639000E-01  0.8133000
  1 1 1      14   27   14 o    9.819000      0.3088000       9.557000 0.4295000       10.08000      0.4440000     -0.5223000      0.6177000
  1 1 1      14   27   15 o    4.475000      0.4899000       4.789000 0.6283000       4.161000      0.7519000      0.6276000      0.9799000
  1 1 1      14   27   16 o    2.610000      0.6456000       2.845000 0.9220000       2.376000      0.9039000      0.4690000       1.291000
  1 1 1      14   27   17 o    2.349000      0.6195000       1.809000 0.8016000       2.890000      0.9447000      -1.082000       1.239000
  1 1 1      14   27   18 f    2.877000      0.6685000       2.776000 0.9169000       2.977000      0.9732000     -0.2005000       1.337000
  1 1 1      14   27   19 o    3.320000      0.6897000       3.198000 0.9381000       3.442000       1.011000     -0.2447000       1.379000
  1 1 1      14   27   20 o    3.452000      0.7151000       2.945000 1.002000       3.960000       1.020000      -1.014000       1.430000
  1 1 1      14   27   21 o    2.477000      0.6959000       2.556000 0.9947000       2.398000      0.9736000      0.1579000       1.392000
  1 1 1      14   27   22 o    3.079000      0.7422000       3.126000 1.053000       3.032000       1.046000      0.9452000E-01   1.484000
  1 1 1      14   27   23 o    2.129000      0.6596000       2.382000 0.9899000       1.875000      0.8719000      0.5075000       1.319000
  1 1 1      14   27   24 o    3.361000      0.7597000       3.242000 1.076000       3.481000       1.073000     -0.2393000       1.519000
  1 1 1      14   27   25 o    2.569000      0.7268000       2.661000 1.056000       2.478000      0.9986000      0.1834000       1.454000
  1 1 1      14   27   26 o    3.299000      0.7424000       2.730000 1.076000       3.868000       1.023000      -1.138000       1.485000
  1 1 1      14   28    0 o    7.598000      0.2424000       7.711000 0.3291000       7.485000      0.3561000      0.2257000      0.4849000
  1 1 1      14   28    1 o    6.292000      0.2485000       6.438000 0.3422000       6.146000      0.3605000      0.2923000      0.4970000
  1 1 1      14   28    2 o    6.986000      0.2474000       6.780000 0.3427000       7.193000      0.3569000     -0.4124000      0.4948000
  1 1 1      14   28    3 o    8.272000      0.2372000       7.907000 0.3209000       8.637000      0.3495000     -0.7302000      0.4745000
  1 1 1      14   28    4 o    5.687000      0.3048000       5.750000 0.3853000       5.623000      0.4724000      0.1265000      0.6096000
  1 1 1      14   28    5 o    2.671000      0.5422000       2.479000 0.7111000       2.863000      0.8187000     -0.3842000       1.084000
  1 1 1      14   28    6 o    1.847000      0.5291000       1.917000 0.7228000       1.776000      0.7730000      0.1408000       1.058000
  1 1 1      14   28    7 o    4.946000      0.3825000       5.101000 0.4064000       4.792000      0.6481000      0.3096000      0.7650000
  1 1 1      14   28    8 o    2.651000      0.7290000       2.651000 0.7290000                  ?              ?              ?              ?
  1 1 1      14   28    9 o    3.866000      0.5103000       4.709000 0.4893000       3.023000      0.8957000       1.685000       1.021000
  1 1 1      14   28   10 o    7.385000      0.3263000       7.168000 0.4082000       7.603000      0.5091000     -0.4352000      0.6526000
  1 1 1      14   28   11 o    4.523000      0.4407000       4.558000 0.5914000       4.489000      0.6535000      0.6921000E-01  0.8814000
  1 1 1      14   28   12 o    2.497000      0.5939000       2.647000 0.8061000       2.348000      0.8725000      0.2993000       1.188000
  1 1 1      14   28   13 o    6.237000      0.3505000       6.761000 0.4281000       5.712000      0.5550000       1.048000      0.7009000
  1 1 1      14   28   14 o    3.207000      0.5988000       3.798000 0.7641000       2.617000      0.9222000       1.181000       1.198000
  1 1 1      14   28   15 o    2.266000      0.6189000       1.740000 0.7889000       2.791000      0.9537000      -1.051000       1.238000
  1 1 1      14   28   16 f    2.078000      0.6072000       2.501000 0.9304000       1.654000      0.7804000      0.8469000       1.214000
  1 1 1      14   28   17 o    2.572000      0.6772000       1.972000 0.8655000       3.173000       1.042000      -1.201000       1.354000
  1 1 1      14   28   18 o    1.997000      0.6217000       1.773000 0.8097000       2.221000      0.9436000     -0.4478000       1.243000
  1 1 1      14   28   19 o    2.188000      0.6577000       2.146000 0.9031000       2.230000      0.9563000     -0.8344000E-01   1.315000
  1 1 1      14   28   20 o    3.198000      0.7332000       3.865000 1.034000       2.530000       1.040000       1.335000       1.466000
  1 1 1      14   28   21 o    2.432000      0.6823000       2.838000 1.030000       2.025000      0.8950000      0.8127000       1.365000
  1 1 1      14   28   22 o    3.252000      0.9297000       3.440000 1.351000       3.064000       1.277000      0.3761000       1.859000
  1 1 1      14   28   23 o    3.226000      0.9160000       3.227000 1.298000       3.224000       1.293000      0.3565000E-02   1.832000
  1 1 1      14   28   24 o    3.434000      0.8924000       4.381000 1.365000       2.488000       1.150000       1.892000       1.785000
  1 1 1      14   28   25 o    2.725000      0.8695000       2.540000 1.185000       2.909000       1.273000     -0.3685000       1.739000
  1 1 1      14   29    0 o    9.212000      0.3650000       8.935000 0.4683000       9.488000      0.5601000     -0.5523000      0.7300000
  1 1 1      14   29    1 o    5.106000      0.5460000       4.232000 0.7498000       5.979000      0.7938000      -1.747000       1.092000
  1 1 1      14   29    2 o    3.669000      0.6437000       3.746000 0.7347000       3.591000       1.057000      0.1543000       1.287000
  1 1 1      14   29    3 o    2.929000      0.5755000       3.758000 0.6731000       2.100000      0.9336000       1.658000       1.151000
  1 1 1      14   29    4 f    2.827000      0.6377000       2.293000 0.8173000       3.360000      0.9791000      -1.066000       1.275000
  1 1 1      14   29    5 o    2.348000      0.6331000       2.388000 0.8243000       2.309000      0.9611000      0.7879000E-01   1.266000
  1 1 1      14   29    6 o    2.244000      0.5901000       2.500000 0.7948000       1.988000      0.8726000      0.5116000       1.180000
  1 1 1      14   29    7 o    3.409000      0.5858000       3.022000 0.7572000       3.796000      0.8941000     -0.7736000       1.172000
  1 1 1      14   29    8 o    3.093000      0.7042000       3.093000 0.7042000                  ?              ?              ?              ?
  1 1 1      14   29    9 o    2.246000      0.5908000       2.077000 0.7777000       2.416000      0.8896000     -0.3395000       1.182000
  1 1 1      14   29   10 o    5.979000      0.4809000                  ?       ?   5.979000      0.4809000                  ?              ?
  1 1 1      14   29   11 o    2.936000      0.6182000       2.212000 0.8752000       3.660000      0.8732000      -1.448000       1.236000
  1 1 1      14   29   12 o    2.752000      0.6350000       2.279000 0.8801000       3.225000      0.9155000     -0.9468000       1.270000
  1 1 1      14   29   13 o    3.875000      0.5736000       4.334000 0.7104000       3.415000      0.9007000      0.9197000       1.147000
  1 1 1      14   29   14 o    3.203000      0.6506000       2.725000 0.9410000       3.681000      0.8987000     -0.9555000       1.301000
  1 1 1      14   29   15 o    3.365000      0.7208000       3.138000 1.013000       3.593000       1.025000     -0.4551000       1.442000
  1 1 1      14   29   16 o    4.105000      0.6894000       4.491000 0.9057000       3.718000       1.040000      0.7729000       1.379000
  1 1 1      14   29   17 o    2.555000      0.7355000       2.785000 1.052000       2.324000       1.028000      0.4605000       1.471000
  1 1 1      14   29   18 o    3.132000      0.7702000       3.533000 1.055000       2.732000       1.123000      0.8017000       1.540000
  1 1 1      14   29   19 o    2.354000      0.7393000       2.083000 0.9590000       2.624000       1.126000     -0.5405000       1.479000
  1 1 1      14   29   20 o    2.867000      0.7510000       2.781000 1.028000       2.953000       1.095000     -0.1719000       1.502000
  1 1 1      14   29   21 o    2.602000      0.7309000       2.710000 1.048000       2.494000       1.020000      0.2158000       1.462000
  1 1 1      14   29   22 o    3.552000      0.7378000       2.873000 1.084000       4.232000       1.001000      -1.359000       1.476000
  1 1 1      14   29   23 o    2.332000      0.6872000       2.925000 1.097000       1.739000      0.8284000       1.186000       1.374000
  1 1 1      14   29   24 o    2.570000      0.7272000       2.114000 0.9537000       3.027000       1.098000     -0.9124000       1.454000
  1 1 1      14   30    0 o    2.740000      0.6148000       3.270000 0.9381000       2.210000      0.7950000       1.060000       1.230000
  1 1 1      14   30    1 o    11.58000      0.2453000       11.72000 0.3223000       11.44000      0.3698000      0.2839000      0.4905000
  1 1 1      14   30    2 o    4.825000      0.4022000       4.683000 0.4992000       4.968000      0.6308000     -0.2844000      0.8044000
  1 1 1      14   30    3 o    2.554000      0.5740000       2.667000 0.7390000       2.441000      0.8785000      0.2264000       1.148000
  1 1 1      14   30    4 o    2.828000      0.5507000       2.312000 0.7435000       3.343000      0.8127000      -1.031000       1.101000
  1 1 1      14   30    5 o    3.710000      0.5240000       3.622000 0.6862000       3.797000      0.7922000     -0.1745000       1.048000
  1 1 1      14   30    6 o    4.648000      0.4744000       4.890000 0.5399000       4.406000      0.7803000      0.4841000      0.9489000
  1 1 1      14   30    7 o    2.091000      0.6062000       1.941000 0.7896000       2.240000      0.9201000     -0.2990000       1.212000
  1 1 1      14   30    8 o    2.969000      0.5450000       1.990000 0.7969000       3.948000      0.7436000      -1.958000       1.090000
  1 1 1      14   30    9 o    1.804000      0.5632000       1.446000 0.6745000       2.161000      0.9022000     -0.7154000       1.126000
  1 1 1      14   30   10 o    4.352000      0.8287000                  ?       ?   4.352000      0.8287000                  ?              ?
  1 1 1      14   30   11 o    2.563000      0.6233000       1.828000 0.8077000       3.298000      0.9497000      -1.470000       1.247000
  1 1 1      14   30   12 o    2.638000      0.6461000       2.975000 0.8984000       2.301000      0.9287000      0.6745000       1.292000
  1 1 1      14   30   13 o    3.940000      0.6234000       3.827000 0.8392000       4.052000      0.9220000     -0.2255000       1.247000
  1 1 1      14   30   14 o    3.148000      0.6778000       2.510000 0.9533000       3.786000      0.9637000      -1.276000       1.356000
  1 1 1      14   30   15 o    2.885000      0.7283000       2.923000 1.002000       2.847000       1.057000      0.7567000E-01   1.457000
  1 1 1      14   30   16 o    2.984000      0.7277000       3.491000 1.031000       2.478000       1.027000       1.013000       1.455000
  1 1 1      14   30   17 o    1.982000      0.6472000       2.016000 0.9201000       1.948000      0.9105000      0.6801000E-01   1.294000
  1 1 1      14   30   18 o    2.302000      0.6336000       2.786000 0.9409000       1.819000      0.8490000      0.9670000       1.267000
  1 1 1      14   30   19 o    3.493000      0.9325000       4.035000 1.368000       2.952000       1.268000       1.083000       1.865000
  1 1 1      14   30   20 o    3.751000      0.9403000       4.278000 1.344000       3.225000       1.315000       1.053000       1.881000
  1 1 1      14   30   21 o    3.398000      0.8547000       3.689000 1.226000       3.107000       1.191000      0.5821000       1.709000
  1 1 1      14   30   22 o    2.524000      0.7678000       3.259000 1.265000       1.789000      0.8704000       1.470000       1.536000
  1 1 1      14   31    0 o    7.222000      0.3015000       7.058000 0.4077000       7.385000      0.4442000     -0.3271000      0.6029000
  1 1 1      14   31    1 o    8.791000      0.2776000       8.969000 0.3535000       8.613000      0.4282000      0.3559000      0.5552000
  1 1 1      14   31    2 o    1.757000      0.5310000       1.178000 0.5749000       2.336000      0.8929000      -1.159000       1.062000
  1 1 1      14   31    3 o    3.052000      0.6464000       2.913000 0.7157000       3.192000       1.077000     -0.2785000       1.293000
  1 1 1      14   31    4 o    6.416000      0.5060000       6.845000 0.6871000       5.988000      0.7428000      0.8563000       1.012000
  1 1 1      14   31    5 o    6.782000      0.6495000       7.677000 0.7345000       5.887000       1.071000       1.790000       1.299000
  1 1 1      14   31    6 o    5.447000      0.8040000       5.979000 1.039000       4.914000       1.228000       1.065000       1.608000
  1 1 1      14   31    7 o    4.873000      0.7749000       6.548000 0.9575000       3.197000       1.219000       3.351000       1.550000
  1 1 1      14   31    8 o    3.186000      0.8732000       3.475000 1.275000       2.898000       1.193000      0.5771000       1.746000
  1 1 1      14   31    9 o    2.605000      0.8380000       2.351000 1.121000       2.859000       1.246000     -0.5078000       1.676000
  1 1 1      14   31   10 o    3.919000       1.029000       4.746000 1.563000       3.092000       1.339000       1.654000       2.058000
  1 1 1      14   31   11 o    3.999000      0.9416000       5.375000 1.443000       2.624000       1.211000       2.752000       1.883000
  1 1 1      14   31   12 o    3.662000      0.9898000       4.304000 1.478000       3.021000       1.316000       1.283000       1.980000
  1 1 1      14   31   13 o    3.733000      0.9874000       2.865000 1.319000       4.601000       1.470000      -1.736000       1.975000
  1 1 1      14   31   14 o    2.673000      0.8727000       2.770000 1.255000       2.575000       1.213000      0.1949000       1.745000
  1 1 1      14   31   15 o    2.348000      0.6694000       1.916000 0.8771000       2.780000       1.011000     -0.8639000       1.339000
  1 1 1      14   31   16 f    2.934000      0.7419000       3.419000 1.065000       2.449000       1.034000      0.9707000       1.484000
  1 1 1      14   31   17 o    2.742000      0.7019000       3.392000 1.019000       2.093000      0.9650000       1.300000       1.404000
  1 1 1      14   31   18 o    4.815000      0.6611000       5.292000 0.7865000       4.337000       1.063000      0.9545000       1.322000
  1 1 1      14   31   19 o    2.596000      0.7233000       2.171000 0.9568000       3.021000       1.085000     -0.8499000       1.447000
  1 1 1      14   31   20 o    2.988000      0.7824000       2.888000 1.074000       3.089000       1.138000     -0.2017000       1.565000
  1 1 1      14   31   21 o    3.136000      0.7349000       3.728000 1.038000       2.545000       1.040000       1.183000       1.470000
  1 1 1      14   32    0 o    4.804000      0.4527000       4.911000 0.5704000       4.696000      0.7031000      0.2151000      0.9054000
  1 1 1      14   32    1 o    2.022000      0.5838000       2.079000 0.8111000       1.965000      0.8399000      0.1145000       1.168000
  1 1 1      14   32    2 o    3.460000      0.5688000       3.397000 0.7304000       3.523000      0.8723000     -0.1259000       1.138000
  1 1 1      14   32    3 o    2.375000      0.6111000       2.512000 0.8230000       2.237000      0.9035000      0.2756000       1.222000
  1 1 1      14   32    4 o    3.552000      0.6293000       3.428000 0.8186000       3.677000      0.9560000     -0.2487000       1.259000
  1 1 1      14   32    5 o    4.276000      0.5778000       4.739000 0.6507000       3.813000      0.9550000      0.9259000       1.156000
  1 1 1      14   32    6 f    3.516000      0.5995000       4.436000 0.6821000       2.597000      0.9861000       1.839000       1.199000
  1 1 1      14   32    7 o    1.957000      0.6012000       2.057000 0.8466000       1.856000      0.8538000      0.2009000       1.202000
  1 1 1      14   32    8 o    4.124000      0.6125000       4.334000 0.7245000       3.914000      0.9877000      0.4199000       1.225000
  1 1 1      14   32    9 o    3.993000      0.6421000       4.908000 0.6957000       3.079000       1.079000       1.829000       1.284000
  1 1 1      14   32   10 o    2.072000      0.6356000       1.712000 0.7952000       2.431000      0.9918000     -0.7191000       1.271000
  1 1 1      14   32   11 o    2.112000      0.6402000       1.546000 0.7461000       2.678000       1.041000      -1.133000       1.280000
  1 1 1      14   32   12 o    2.450000      0.6991000       2.249000 0.9466000       2.652000       1.029000     -0.4030000       1.398000
  1 1 1      14   32   13 o    3.848000      0.6987000       3.970000 0.8807000       3.726000       1.085000      0.2445000       1.397000
  1 1 1      14   32   14 o    2.025000      0.6553000       2.028000 0.9124000       2.021000      0.9408000      0.6819000E-02   1.311000
  1 1 1      14   32   15 o    2.026000      0.6624000       1.813000 0.8605000       2.238000       1.007000     -0.4252000       1.325000
  1 1 1      14   32   16 o    3.667000      0.7453000       4.372000 0.9683000       2.963000       1.133000       1.409000       1.491000
  1 1 1      14   32   17 o    3.546000      0.7749000       3.634000 1.030000       3.459000       1.158000      0.1750000       1.550000
  1 1 1      14   32   18 o    3.246000      0.7328000       2.259000 0.9716000       4.233000       1.097000      -1.974000       1.466000
  1 1 1      14   32   19 o    2.428000      0.6888000       2.993000 1.057000       1.863000      0.8842000       1.130000       1.378000
  1 1 1      14   33    0 o    3.200000      0.6730000       3.096000 0.9110000       3.304000      0.9910000     -0.2079000       1.346000
  1 1 1      14   33    1 o    2.602000      0.6669000       2.466000 0.9073000       2.737000      0.9777000     -0.2710000       1.334000
  1 1 1      14   33    2 o    1.696000      0.5514000       1.796000 0.7983000       1.597000      0.7608000      0.1991000       1.103000
  1 1 1      14   33    3 o    3.091000      0.6661000       2.533000 0.9143000       3.650000      0.9688000      -1.118000       1.332000
  1 1 1      14   33    4 o    2.047000      0.6279000       1.841000 0.8145000       2.253000      0.9559000     -0.4121000       1.256000
  1 1 1      14   33    5 o    4.155000      0.6205000       4.135000 0.7865000       4.174000      0.9599000     -0.3900000E-01   1.241000
  1 1 1      14   33    6 o    2.539000      0.6390000       3.114000 0.9211000       1.964000      0.8858000       1.150000       1.278000
  1 1 1      14   33    7 o    1.968000      0.6164000       1.681000 0.7678000       2.254000      0.9644000     -0.5730000       1.233000
  1 1 1      14   33    8 o    2.526000      0.6981000       2.504000 0.9245000       2.548000       1.046000     -0.4429000E-01   1.396000
  1 1 1      14   33    9 o    2.950000      0.7197000       2.353000 0.9204000       3.547000       1.107000      -1.195000       1.439000
  1 1 1      14   33   10 o    2.198000      0.6689000       2.345000 0.9545000       2.052000      0.9372000      0.2928000       1.338000
  1 1 1      14   33   11 o    2.441000      0.7113000       2.669000 1.021000       2.214000      0.9902000      0.4558000       1.423000
  1 1 1      14   33   12 o    2.983000      0.7887000       3.263000 1.100000       2.703000       1.131000      0.5601000       1.577000
  1 1 1      14   33   13 o    2.167000      0.6671000       2.246000 0.9409000       2.088000      0.9460000      0.1582000       1.334000
  1 1 1      14   33   14 o    2.081000      0.6666000       2.173000 0.9525000       1.988000      0.9328000      0.1844000       1.333000
  1 1 1      14   33   15 o    3.373000      0.7951000       2.750000 1.092000       3.995000       1.156000      -1.245000       1.590000
  1 1 1      14   33   16 f    3.688000      0.7336000       4.644000 0.9804000       2.732000       1.091000       1.912000       1.467000
  1 1 1      14   33   17 o    3.075000      0.7724000       2.533000 1.004000       3.617000       1.174000      -1.084000       1.545000
  1 1 1      14   33   18 o    2.827000       1.241000                  ?       ?   2.827000       1.241000                  ?              ?
  1 1 1      14   34    0 o    2.113000      0.6249000       2.367000 0.9125000       1.860000      0.8541000      0.5070000       1.250000
  1 1 1      14   34    1 o    2.355000      0.6733000       2.068000 0.8732000       2.642000       1.025000     -0.5738000       1.347000
  1 1 1      14   34    2 o    4.132000      0.6280000       4.872000 0.7239000       3.393000       1.027000       1.479000       1.256000
  1 1 1      14   34    3 o    3.802000      0.6896000       3.499000 0.9417000       4.104000       1.008000     -0.6047000       1.379000
  1 1 1      14   34    4 o    3.581000      0.6743000       4.287000 0.8172000       2.876000       1.073000       1.411000       1.349000
  1 1 1      14   34    5 o    2.287000      0.6779000       2.336000 0.9289000       2.238000      0.9876000      0.9737000E-01   1.356000
  1 1 1      14   34    6 o    3.487000      0.5973000       4.946000 0.7543000       2.028000      0.9262000       2.918000       1.195000
  1 1 1      14   34    7 o    2.550000      0.7361000       2.370000 0.9611000       2.729000       1.115000     -0.3593000       1.472000
  1 1 1      14   34    8 o    2.183000      0.6809000       2.322000 0.9662000       2.044000      0.9597000      0.2786000       1.362000
  1 1 1      14   34    9 o    1.970000      0.8995000       1.970000 0.8995000                  ?              ?              ?              ?
  1 1 1      14   34   10 o    2.917000      0.7476000       2.378000 0.9664000       3.456000       1.141000      -1.079000       1.495000
  1 1 1      14   34   11 o    3.046000       1.138000                  ?       ?   3.046000       1.138000                  ?              ?
  1 1 1      14   34   12 o    3.094000      0.7747000       3.395000 1.080000       2.793000       1.111000      0.6019000       1.549000
  1 1 1      14   34   13 o    2.492000      0.7111000       2.905000 1.050000       2.078000      0.9589000      0.8273000       1.422000
  1 1 1      14   34   14 o    2.425000      0.7316000       2.163000 0.9424000       2.686000       1.119000     -0.5234000       1.463000
  1 1 1      14   34   15 o    2.620000      0.7679000       2.177000 0.9634000       3.062000       1.196000     -0.8849000       1.536000
  1 1 1      14   35    0 o    2.517000      0.7014000       2.336000 0.9607000       2.697000       1.022000     -0.3606000       1.403000
  1 1 1      14   35    1 o    2.276000      0.6791000       2.090000 0.9106000       2.462000       1.008000     -0.3718000       1.358000
  1 1 1      14   35    2 o    2.934000      0.7260000       2.165000 0.9539000       3.703000       1.095000      -1.537000       1.452000
  1 1 1      14   35    3 o    4.069000      0.7408000       4.017000 1.002000       4.121000       1.091000     -0.1032000       1.482000
  1 1 1      14   35    4 o    3.695000      0.7099000       4.684000 0.9185000       2.707000       1.083000       1.976000       1.420000
  1 1 1      14   35    5 o    2.890000      0.7342000       3.341000 1.043000       2.439000       1.034000      0.9023000       1.468000
  1 1 1      14   35    6 o    3.537000      0.6595000       4.649000 0.8380000       2.425000       1.019000       2.224000       1.319000
  1 1 1      14   35    7 o    2.265000      0.7049000       1.906000 0.8712000       2.623000       1.108000     -0.7178000       1.410000
  1 1 1      14   35    8 o    3.264000      0.8001000       3.481000 1.054000       3.047000       1.204000      0.4335000       1.600000
  1 1 1      14   35    9 o    3.225000       1.095000       3.225000 1.095000                  ?              ?              ?              ?
  1 1 1      14   35   10 o    2.518000      0.7329000       2.106000 0.9404000       2.930000       1.124000     -0.8241000       1.466000
  1 1 1      14   35   11 o    2.290000       1.034000                  ?       ?   2.290000       1.034000                  ?              ?
  1 1 1      14   35   12 o    2.677000      0.7558000       2.834000 1.062000       2.519000       1.076000      0.3142000       1.512000
  1 1 1      14   35   13 o    3.221000      0.7868000       2.518000 1.024000       3.925000       1.195000      -1.407000       1.574000
  1 1 1      14   36    0 o    2.099000      0.6595000       2.077000 0.9218000       2.121000      0.9433000     -0.4439000E-01   1.319000
  1 1 1      14   36    1 o    4.066000      0.6997000       5.222000 0.8425000       2.911000       1.117000       2.311000       1.399000
  1 1 1      14   36    2 o    2.120000      0.6755000       2.126000 0.9479000       2.115000      0.9625000      0.1097000E-01   1.351000
  1 1 1      14   36    3 o    2.156000      0.6744000       2.240000 0.9549000       2.071000      0.9527000      0.1689000       1.349000
  1 1 1      14   36    4 o    3.576000      0.7417000       4.292000 0.9550000       2.860000       1.135000       1.432000       1.483000
  1 1 1      14   36    5 o    2.192000      0.6851000       2.410000 1.012000       1.974000      0.9243000      0.4358000       1.370000
  1 1 1      14   36    6 o    2.512000      0.7903000       2.080000 0.9458000       2.944000       1.266000     -0.8639000       1.581000
  1 1 1      14   36    7 o    2.368000      0.7273000       2.580000 1.054000       2.156000       1.003000      0.4236000       1.455000
  1 1 1      14   36    8 o    3.150000      0.8172000       2.660000 1.026000       3.641000       1.272000     -0.9805000       1.634000
  1 1 1      14   36    9 o    2.782000      0.7360000       3.419000 1.081000       2.145000      0.9993000       1.274000       1.472000
  1 1 1      14   36   10 o    4.152000       1.034000       4.543000 1.666000       3.762000       1.226000      0.7805000       2.069000
  1 1 1      14   37    0 o    2.988000      0.7678000       3.289000 1.099000       2.687000       1.073000      0.6021000       1.536000
  1 1 1      14   37    1 f    3.310000      0.7707000       3.898000 1.065000       2.721000       1.115000       1.177000       1.541000
  1 1 1      14   37    2 o    2.696000      0.7801000       2.724000 1.089000       2.667000       1.117000      0.5715000E-01   1.560000
  1 1 1      14   37    3 o    2.209000      0.7092000       2.145000 0.9696000       2.272000       1.035000     -0.1268000       1.418000
  1 1 1      14   37    4 o    2.589000      0.8530000       2.367000 1.144000       2.811000       1.266000     -0.4432000       1.706000
  1 1 1      15  -24    0 o    2.221000      0.6789000       1.990000 0.8773000       2.452000       1.036000     -0.4623000       1.358000
  1 1 1      15  -24    1 o    2.716000      0.7121000       3.271000 1.052000       2.162000      0.9600000       1.108000       1.424000
  1 1 1      15  -24    2 o    2.110000      0.6542000       2.220000 0.9224000       2.001000      0.9278000      0.2181000       1.308000
  1 1 1      15  -24    3 o    2.602000       1.086000                  ?       ?   2.602000       1.086000                  ?              ?
  1 1 1      15  -23    0 o    2.436000      0.6973000       2.389000 0.9557000       2.483000       1.016000     -0.9396000E-01   1.395000
  1 1 1      15  -23    1 o    3.543000      0.7339000       3.054000 1.043000       4.031000       1.032000     -0.9774000       1.468000
  1 1 1      15  -23    2 o    4.537000      0.6241000       3.817000 0.9386000       5.258000      0.8229000      -1.442000       1.248000
  1 1 1      15  -23    3 o    2.882000      0.7418000       2.574000 1.022000       3.189000       1.076000     -0.6147000       1.484000
  1 1 1      15  -23    4 o    3.116000      0.6391000       1.961000 0.8653000       4.272000      0.9408000      -2.311000       1.278000
  1 1 1      15  -23    5 o    2.647000      0.7341000       2.514000 1.002000       2.780000       1.073000     -0.2664000       1.468000
  1 1 1      15  -23    6 o    2.809000      0.7320000       3.357000 1.098000       2.260000      0.9680000       1.097000       1.464000
  1 1 1      15  -23    7 o    2.831000      0.7624000       3.019000 1.080000       2.643000       1.077000      0.3760000       1.525000
  1 1 1      15  -23    8 o    2.712000      0.7422000       2.123000 0.9596000       3.300000       1.133000      -1.177000       1.484000
  1 1 1      15  -23    9 o    3.908000      0.8249000       3.378000 1.130000       4.438000       1.202000      -1.059000       1.650000
  1 1 1      15  -22    0 o    1.951000      0.6197000       1.630000 0.7623000       2.272000      0.9773000     -0.6425000       1.239000
  1 1 1      15  -22    1 o    2.007000      0.6220000       1.534000 0.7398000       2.480000       1.000000     -0.9457000       1.244000
  1 1 1      15  -22    2 o    4.051000      0.6435000       3.811000 0.8824000       4.292000      0.9368000     -0.4815000       1.287000
  1 1 1      15  -22    3 o    3.717000      0.7200000       3.778000 0.9855000       3.656000       1.050000      0.1218000       1.440000
  1 1 1      15  -22    4 o    3.518000      0.7001000       3.863000 0.9564000       3.173000       1.023000      0.6900000       1.400000
  1 1 1      15  -22    5 o    7.148000      0.4544000       7.903000 0.5843000       6.393000      0.6960000       1.510000      0.9088000
  1 1 1      15  -22    6 o    2.007000      0.6356000       2.288000 0.9658000       1.725000      0.8266000      0.5628000       1.271000
  1 1 1      15  -22    7 o    3.243000      0.7306000       4.090000 1.049000       2.395000       1.017000       1.696000       1.461000
  1 1 1      15  -22    8 f    5.047000      0.6769000       5.614000 0.7562000       4.479000       1.123000       1.135000       1.354000
  1 1 1      15  -22    9 o    6.240000      0.5877000       6.580000 0.7397000       5.900000      0.9134000      0.6807000       1.175000
  1 1 1      15  -22   10 o    4.369000      0.6619000       4.669000 0.8830000       4.069000      0.9863000      0.5995000       1.324000
  1 1 1      15  -22   11 o    2.480000      0.7164000       2.719000 1.048000       2.241000      0.9766000      0.4781000       1.433000
  1 1 1      15  -22   12 o    2.493000      0.7195000       2.798000 1.054000       2.187000      0.9797000      0.6115000       1.439000
  1 1 1      15  -21    0 o    2.115000      0.6310000       2.239000 0.8851000       1.990000      0.8995000      0.2493000       1.262000
  1 1 1      15  -21    1 o    2.964000      0.7072000       2.796000 0.9633000       3.133000       1.036000     -0.3371000       1.414000
  1 1 1      15  -21    2 o    2.993000      0.6358000       3.612000 0.8318000       2.374000      0.9619000       1.237000       1.272000
  1 1 1      15  -21    3 o    2.228000      0.6736000       2.468000 0.9677000       1.989000      0.9373000      0.4787000       1.347000
  1 1 1      15  -21    4 o    2.567000      0.7403000       2.382000 0.9847000       2.753000       1.106000     -0.3702000       1.481000
  1 1 1      15  -21    5 o    2.695000      0.7163000       2.993000 0.9804000       2.397000       1.045000      0.5955000       1.433000
  1 1 1      15  -21    6 o    2.656000      0.7045000       2.576000 0.9698000       2.737000       1.022000     -0.1613000       1.409000
  1 1 1      15  -21    7 o    2.781000      0.7270000       2.304000 0.9616000       3.258000       1.091000     -0.9545000       1.454000
  1 1 1      15  -21    8 o    4.668000      0.6249000       5.139000 0.7396000       4.197000       1.007000      0.9425000       1.250000
  1 1 1      15  -21    9 o    5.377000       1.043000       6.766000 1.471000       3.988000       1.480000       2.778000       2.087000
  1 1 1      15  -21   10 o    2.624000      0.8824000       2.835000 1.335000       2.413000       1.154000      0.4223000       1.765000
  1 1 1      15  -21   12 f    1.920000      0.6691000       2.270000 1.110000       1.570000      0.7474000      0.7005000       1.338000
  1 1 1      15  -21   13 o    6.007000      0.5453000       5.487000 0.8230000       6.528000      0.7157000      -1.041000       1.091000
  1 1 1      15  -21   14 o    4.701000      0.6430000       4.729000 0.8890000       4.674000      0.9292000      0.5504000E-01   1.286000
  1 1 1      15  -21   15 o    5.561000      0.5172000       5.380000 0.7691000       5.742000      0.6917000     -0.3617000       1.034000
  1 1 1      15  -20    0 o    2.245000      0.6922000       2.321000 0.9622000       2.168000      0.9954000      0.1529000       1.384000
  1 1 1      15  -20    1 o    1.847000      0.6125000       1.846000 0.8478000       1.847000      0.8842000     -0.1039000E-02   1.225000
  1 1 1      15  -20    2 o    3.261000      0.5973000       3.016000 0.8281000       3.505000      0.8609000     -0.4887000       1.195000
  1 1 1      15  -20    3 o    10.16000      0.3077000       10.51000 0.3866000       9.801000      0.4788000      0.7111000      0.6154000
  1 1 1      15  -20    4 o    7.353000      0.3910000       7.883000 0.4770000       6.823000      0.6197000       1.060000      0.7820000
  1 1 1      15  -20    5 o    3.026000      0.8915000       2.818000 1.224000       3.234000       1.297000     -0.4158000       1.783000
  1 1 1      15  -20    6 o    5.330000      0.8855000       5.078000 1.237000       5.581000       1.268000     -0.5035000       1.771000
  1 1 1      15  -20    7 f    2.690000      0.8446000       2.549000 1.158000       2.831000       1.229000     -0.2818000       1.689000
  1 1 1      15  -20    8 o    2.538000      0.6741000       2.187000 0.8958000       2.889000       1.008000     -0.7016000       1.348000
  1 1 1      15  -20    9 o    7.876000      0.3778000       7.772000 0.4880000       7.980000      0.5768000     -0.2087000      0.7555000
  1 1 1      15  -20   10 o    5.857000      0.4892000       6.424000 0.5697000       5.290000      0.7955000       1.134000      0.9784000
  1 1 1      15  -20   11 o    2.541000      0.6883000       2.942000 0.9981000       2.140000      0.9481000      0.8024000       1.377000
  1 1 1      15  -20   12 o    3.649000      0.7204000       3.678000 0.9782000       3.621000       1.058000      0.5618000E-01   1.441000
  1 1 1      15  -20   13 o    2.953000      0.6727000       3.863000 0.9878000       2.042000      0.9135000       1.821000       1.345000
  1 1 1      15  -20   14 o    3.703000      0.7131000       3.662000 0.9856000       3.745000       1.031000     -0.8265000E-01   1.426000
  1 1 1      15  -20   15 o    4.306000      0.6666000       5.660000 0.8444000       2.952000       1.032000       2.708000       1.333000
  1 1 1      15  -20   16 o    2.349000      0.6617000       2.620000 0.9686000       2.079000      0.9017000      0.5419000       1.323000
  1 1 1      15  -20   17 o    2.760000      0.6589000       3.449000 0.9645000       2.072000      0.8980000       1.377000       1.318000
  1 1 1      15  -19    0 o    8.136000      0.3202000       8.351000 0.4172000       7.920000      0.4858000      0.4316000      0.6404000
  1 1 1      15  -19    1 o    3.980000      0.5546000       3.330000 0.7826000       4.630000      0.7861000      -1.300000       1.109000
  1 1 1      15  -19    2 o    7.387000      0.5035000       7.315000 0.6953000       7.459000      0.7285000     -0.1444000       1.007000
  1 1 1      15  -19    3 o    6.308000      0.5755000       6.458000 0.7673000       6.158000      0.8580000      0.3000000       1.151000
  1 1 1      15  -19    4 o    3.937000      0.5085000       3.539000 0.6372000       4.336000      0.7927000     -0.7966000       1.017000
  1 1 1      15  -19    5 o    7.916000      0.3459000       8.215000 0.4157000       7.617000      0.5531000      0.5980000      0.6919000
  1 1 1      15  -19    6 o    6.807000      0.3819000       6.766000 0.4791000       6.849000      0.5948000     -0.8302000E-01  0.7637000
  1 1 1      15  -19    7 o    3.418000      0.6485000       3.797000 0.8100000       3.038000       1.013000      0.7589000       1.297000
  1 1 1      15  -19    8 o    2.440000      0.6603000       2.104000 0.8682000       2.776000      0.9950000     -0.6718000       1.321000
  1 1 1      15  -19    9 o    3.165000      0.6724000       2.855000 0.9277000       3.476000      0.9737000     -0.6203000       1.345000
  1 1 1      15  -19   10 o    4.758000      0.5235000       4.762000 0.6501000       4.754000      0.8206000      0.7270000E-02   1.047000
  1 1 1      15  -19   11 o    2.320000      0.6173000       2.842000 0.9095000       1.799000      0.8350000       1.043000       1.235000
  1 1 1      15  -19   12 o    5.680000      0.4830000       6.284000 0.5720000       5.075000      0.7785000       1.209000      0.9661000
  1 1 1      15  -19   13 o    2.021000      0.6160000       2.333000 0.9288000       1.709000      0.8096000      0.6239000       1.232000
  1 1 1      15  -19   14 f    3.053000      0.6595000       3.920000 0.9166000       2.185000      0.9484000       1.735000       1.319000
  1 1 1      15  -19   15 o    2.945000      0.7451000       3.300000 1.068000       2.590000       1.039000      0.7100000       1.490000
  1 1 1      15  -19   16 o    2.296000      0.6480000       1.986000 0.8756000       2.606000      0.9555000     -0.6195000       1.296000
  1 1 1      15  -19   17 o    1.858000      0.5923000       1.887000 0.8467000       1.829000      0.8286000      0.5795000E-01   1.185000
  1 1 1      15  -19   18 o    2.650000      0.6396000       3.376000 0.9592000       1.925000      0.8463000       1.451000       1.279000
  1 1 1      15  -19   19 o    1.933000      0.5968000       1.849000 0.8364000       2.016000      0.8515000     -0.1675000       1.194000
  1 1 1      15  -18    0 o    5.389000      0.4810000       5.728000 0.6406000       5.051000      0.7176000      0.6774000      0.9619000
  1 1 1      15  -18    1 o    3.518000      0.5738000       3.159000 0.7877000       3.877000      0.8345000     -0.7175000       1.148000
  1 1 1      15  -18    2 o    6.562000      0.3474000       6.381000 0.4524000       6.743000      0.5272000     -0.3623000      0.6947000
  1 1 1      15  -18    3 o    2.734000      0.6132000       2.478000 0.8375000       2.991000      0.8959000     -0.5131000       1.226000
  1 1 1      15  -18    4 o    4.490000      0.4810000       5.008000 0.4955000       3.972000      0.8245000       1.036000      0.9619000
  1 1 1      15  -18    5 f    9.701000      0.2791000       9.911000 0.3558000       9.491000      0.4301000      0.4203000      0.5582000
  1 1 1      15  -18    6 o    6.129000      0.3970000       6.438000 0.4610000       5.819000      0.6465000      0.6195000      0.7940000
  1 1 1      15  -18    7 o    4.474000      0.4909000       4.003000 0.6725000       4.944000      0.7152000     -0.9415000      0.9817000
  1 1 1      15  -18    8 o    1.482000      0.4925000       1.636000 0.7350000       1.327000      0.6556000      0.3094000      0.9849000
  1 1 1      15  -18    9 o    2.379000      0.6338000       2.258000 0.8568000       2.500000      0.9342000     -0.2418000       1.268000
  1 1 1      15  -18   10 o    4.316000      0.5657000       5.091000 0.6186000       3.541000      0.9473000       1.550000       1.131000
  1 1 1      15  -18   11 o    4.828000      0.4942000       5.239000 0.5598000       4.417000      0.8145000      0.8222000      0.9883000
  1 1 1      15  -18   12 o    2.081000      0.6173000       1.509000 0.7051000       2.652000       1.014000      -1.144000       1.235000
  1 1 1      15  -18   13 o    5.867000      0.7471000       5.724000 1.344000       6.010000      0.6534000     -0.2856000       1.494000
  1 1 1      15  -18   14 o    3.238000      0.6509000       2.545000 0.9187000       3.931000      0.9222000      -1.386000       1.302000
  1 1 1      15  -18   15 o    2.236000      0.6399000       1.928000 0.8375000       2.544000      0.9677000     -0.6165000       1.280000
  1 1 1      15  -18   16 o    2.596000      0.6526000       2.336000 0.9047000       2.856000      0.9409000     -0.5205000       1.305000
  1 1 1      15  -18   17 f    2.982000      0.6662000       2.601000 0.9260000       3.364000      0.9579000     -0.7633000       1.332000
  1 1 1      15  -18   18 o    3.324000      0.6789000       3.172000 0.9754000       3.476000      0.9446000     -0.3041000       1.358000
  1 1 1      15  -18   19 o    5.243000      0.4450000       5.687000 0.5684000       4.798000      0.6849000      0.8898000      0.8900000
  1 1 1      15  -18   20 o    2.254000      0.6154000       2.668000 0.9277000       1.839000      0.8089000      0.8289000       1.231000
  1 1 1      15  -17    0 o    11.36000      0.2489000       11.46000 0.3441000       11.25000      0.3597000      0.2078000      0.4978000
  1 1 1      15  -17    1 o    5.999000      0.3011000       5.952000 0.4132000       6.047000      0.4381000     -0.9471000E-01  0.6022000
  1 1 1      15  -17    2 o    3.068000      0.5619000       2.954000 0.7153000       3.181000      0.8667000     -0.2268000       1.124000
  1 1 1      15  -17    3 o    5.181000      0.3719000       4.853000 0.4818000       5.510000      0.5668000     -0.6565000      0.7439000
  1 1 1      15  -17    4 o    2.444000      0.5903000       1.965000 0.7677000       2.923000      0.8969000     -0.9578000       1.181000
  1 1 1      15  -17    5 o    4.889000      0.3918000       5.216000 0.4719000       4.563000      0.6256000      0.6529000      0.7837000
  1 1 1      15  -17    6 f    2.537000      0.5883000       2.912000 0.7990000       2.161000      0.8638000      0.7502000       1.177000
  1 1 1      15  -17    7 o    8.645000      0.2909000       9.045000 0.3745000       8.244000      0.4453000      0.8012000      0.5818000
  1 1 1      15  -17    8 o    7.334000      0.3226000       7.869000 0.4024000       6.799000      0.5045000       1.069000      0.6453000
  1 1 1      15  -17    9 o    3.034000      0.6098000       2.703000 0.8357000       3.366000      0.8882000     -0.6628000       1.220000
  1 1 1      15  -17   10 o    7.462000      0.3345000       8.135000 0.4080000       6.789000      0.5302000       1.345000      0.6690000
  1 1 1      15  -17   11 o    5.691000      0.3843000       5.180000 0.5302000       6.202000      0.5564000      -1.022000      0.7686000
  1 1 1      15  -17   12 o    2.702000      0.6105000       2.084000 0.8160000       3.320000      0.9082000      -1.236000       1.221000
  1 1 1      15  -17   13 o    1.978000      0.5944000       1.840000 0.7937000       2.117000      0.8849000     -0.2771000       1.189000
  1 1 1      15  -17   14 o    4.648000      0.5087000       5.287000 0.5717000       4.010000      0.8415000       1.277000       1.017000
  1 1 1      15  -17   15 o    3.215000      0.5980000       3.969000 0.7416000       2.461000      0.9384000       1.508000       1.196000
  1 1 1      15  -17   16 o    3.966000      0.5314000       4.218000 0.6762000       3.714000      0.8199000      0.5039000       1.063000
  1 1 1      15  -17   17 o    1.944000      0.5491000       1.254000 0.6167000       2.633000      0.9087000      -1.379000       1.098000
  1 1 1      15  -17   18 o    5.652000      0.4050000       5.814000 0.5523000       5.491000      0.5924000      0.3232000      0.8099000
  1 1 1      15  -17   19 o    3.912000      0.5384000       4.362000 0.7224000       3.462000      0.7985000      0.9006000       1.077000
  1 1 1      15  -17   20 o    3.958000      0.5394000       4.071000 0.7741000       3.844000      0.7513000      0.2269000       1.079000
  1 1 1      15  -17   21 o    4.085000      0.5163000       4.532000 0.6936000       3.638000      0.7648000      0.8939000       1.033000
  1 1 1      15  -17   22 f    5.466000      0.3849000       5.528000 0.5673000       5.405000      0.5204000      0.1233000      0.7698000
  1 1 1      15  -16    0 o    11.54000      0.2416000       11.63000 0.3316000       11.44000      0.3516000      0.1950000      0.4833000
  1 1 1      15  -16    1 o    3.969000      0.4168000       3.806000 0.5993000       4.132000      0.5794000     -0.3260000      0.8336000
  1 1 1      15  -16    2 o    1.701000      0.5063000       1.604000 0.6913000       1.798000      0.7400000     -0.1946000       1.013000
  1 1 1      15  -16    3 o    4.450000      0.4040000       3.746000 0.6035000       5.154000      0.5373000      -1.407000      0.8080000
  1 1 1      15  -16    4 o    7.039000      0.2870000       7.092000 0.3762000       6.986000      0.4335000      0.1059000      0.5740000
  1 1 1      15  -16    5 o    4.719000      0.3938000       5.219000 0.4300000       4.219000      0.6600000       1.000000      0.7877000
  1 1 1      15  -16    6 o    3.894000      0.4580000       3.847000 0.5500000       3.942000      0.7325000     -0.9541000E-01  0.9160000
  1 1 1      15  -16    7 o    14.47000      0.2760000       14.74000 0.3725000       14.21000      0.4072000      0.5306000      0.5519000
  1 1 1      15  -16    8 o    9.209000      0.2808000       9.472000 0.3582000       8.946000      0.4325000      0.5264000      0.5616000
  1 1 1      15  -16    9 o    2.359000      0.5737000       2.545000 0.7578000       2.173000      0.8615000      0.3717000       1.147000
  1 1 1      15  -16   10 o    9.143000      0.3174000       9.750000 0.3667000       8.536000      0.5181000       1.214000      0.6347000
  1 1 1      15  -16   11 o    8.530000      0.3120000       8.364000 0.3859000       8.697000      0.4903000     -0.3324000      0.6240000
  1 1 1      15  -16   12 o    7.167000      0.3379000       6.779000 0.4260000       7.555000      0.5247000     -0.7761000      0.6759000
  1 1 1      15  -16   13 o    6.001000      0.3988000       5.770000 0.5217000       6.232000      0.6034000     -0.4623000      0.7976000
  1 1 1      15  -16   14 o    1.853000      0.5655000       1.868000 0.7870000       1.838000      0.8124000      0.2946000E-01   1.131000
  1 1 1      15  -16   15 o    2.033000      0.6041000       1.995000 0.8205000       2.070000      0.8869000     -0.7586000E-01   1.208000
  1 1 1      15  -16   16 o    2.367000      0.6275000       2.273000 0.8595000       2.462000      0.9144000     -0.1892000       1.255000
  1 1 1      15  -16   17 o    3.142000      0.6201000       3.194000 0.8499000       3.091000      0.9032000      0.1033000       1.240000
  1 1 1      15  -16   18 o    3.674000      0.5562000       4.004000 0.7118000       3.344000      0.8548000      0.6595000       1.112000
  1 1 1      15  -16   19 o    3.068000      0.5361000       1.985000 0.8339000       4.151000      0.6739000      -2.167000       1.072000
  1 1 1      15  -16   20 o    1.872000      0.5660000       1.758000 0.7881000       1.986000      0.8125000     -0.2279000       1.132000
  1 1 1      15  -16   21 f    2.553000      0.7112000       1.983000 0.9146000       3.123000       1.089000      -1.140000       1.422000
  1 1 1      15  -16   22 o    3.051000      0.7666000       2.750000 1.076000       3.352000       1.092000     -0.6017000       1.533000
  1 1 1      15  -16   23 o    3.131000      0.7583000       2.353000 1.018000       3.909000       1.124000      -1.555000       1.517000
  1 1 1      15  -15    0 o    6.447000      0.2794000       6.763000 0.3773000       6.130000      0.4121000      0.6323000      0.5588000
  1 1 1      15  -15    1 o    2.680000      0.5220000       2.851000 0.7052000       2.508000      0.7698000      0.3436000       1.044000
  1 1 1      15  -15    2 o    3.665000      0.4131000       3.809000 0.5231000       3.521000      0.6395000      0.2879000      0.8262000
  1 1 1      15  -15    3 o    2.861000      0.5084000       2.800000 0.7002000       2.922000      0.7372000     -0.1217000       1.017000
  1 1 1      15  -15    4 o    2.029000      0.4888000       1.199000 0.5757000       2.859000      0.7901000      -1.660000      0.9776000
  1 1 1      15  -15    5 o    11.09000      0.2430000       10.77000 0.3278000       11.40000      0.3588000     -0.6358000      0.4860000
  1 1 1      15  -15    6 o    10.20000      0.2389000       10.28000 0.3223000       10.13000      0.3526000      0.1467000      0.4777000
  1 1 1      15  -15    7 o    6.525000      0.2910000       6.323000 0.3814000       6.727000      0.4396000     -0.4034000      0.5820000
  1 1 1      15  -15    8 o    7.581000      0.2935000       7.436000 0.3794000       7.726000      0.4479000     -0.2901000      0.5870000
  1 1 1      15  -15    9 f    4.621000      0.4294000       4.832000 0.5121000       4.409000      0.6894000      0.4229000      0.8588000
  1 1 1      15  -15   10 o    7.458000      0.3194000       6.882000 0.4152000       8.034000      0.4855000      -1.152000      0.6389000
  1 1 1      15  -15   11 o    2.174000      0.5736000       2.388000 0.8062000       1.960000      0.8162000      0.4281000       1.147000
  1 1 1      15  -15   12 o    2.914000      0.5685000       2.490000 0.7930000       3.337000      0.8149000     -0.8474000       1.137000
  1 1 1      15  -15   13 o    1.978000      0.5671000       1.926000 0.7713000       2.031000      0.8316000     -0.1053000       1.134000
  1 1 1      15  -15   14 o    4.198000      0.4688000       4.451000 0.5761000       3.944000      0.7397000      0.5074000      0.9375000
  1 1 1      15  -15   15 o    4.509000      0.5287000       4.999000 0.5934000       4.019000      0.8751000      0.9802000       1.057000
  1 1 1      15  -15   16 o    2.779000      0.6134000       3.368000 0.8221000       2.189000      0.9105000       1.179000       1.227000
  1 1 1      15  -15   17 o    5.844000      0.4130000       6.807000 0.4900000       4.881000      0.6651000       1.927000      0.8261000
  1 1 1      15  -15   18 o    3.501000      0.6174000       3.760000 0.8470000       3.242000      0.8986000      0.5176000       1.235000
  1 1 1      15  -15   19 o    2.364000      0.5702000       2.426000 0.8085000       2.302000      0.8044000      0.1246000       1.140000
  1 1 1      15  -15   20 o    1.650000      0.5131000       2.018000 0.8131000       1.282000      0.6259000      0.7368000       1.026000
  1 1 1      15  -15   21 o    3.163000      0.5577000       3.025000 0.8190000       3.301000      0.7573000     -0.2756000       1.115000
  1 1 1      15  -15   22 f    5.385000      0.3519000       5.112000 0.5371000       5.658000      0.4547000     -0.5459000      0.7037000
  1 1 1      15  -15   23 o    3.824000      0.5092000       3.801000 0.7476000       3.847000      0.6917000     -0.4567000E-01   1.018000
  1 1 1      15  -15   24 o    3.080000      0.5913000       2.414000 0.9144000       3.746000      0.7498000      -1.332000       1.183000
  1 1 1      15  -14    0 o    2.947000      0.4678000       2.496000 0.7114000       3.398000      0.6077000     -0.9020000      0.9356000
  1 1 1      15  -14    1 o    5.407000      0.2803000       5.452000 0.3934000       5.361000      0.3993000      0.9084000E-01  0.5606000
  1 1 1      15  -14    2 o    8.762000      0.2311000       8.529000 0.3131000       8.996000      0.3399000     -0.4672000      0.4621000
  1 1 1      15  -14    3 o    10.42000      0.2220000       10.46000 0.3033000       10.39000      0.3243000      0.7484000E-01  0.4440000
  1 1 1      15  -14    4 o    7.877000      0.2314000       7.738000 0.3184000       8.016000      0.3359000     -0.2786000      0.4628000
  1 1 1      15  -14    5 o    13.96000      0.2454000       13.89000 0.3360000       14.04000      0.3576000     -0.1495000      0.4907000
  1 1 1      15  -14    6 o    10.99000      0.2346000       10.96000 0.3142000       11.03000      0.3485000     -0.7044000E-01  0.4692000
  1 1 1      15  -14    7 o    11.61000      0.2358000       11.59000 0.3182000       11.62000      0.3482000     -0.3006000E-01  0.4717000
  1 1 1      15  -14    8 o    5.064000      0.3563000       5.335000 0.4149000       4.793000      0.5794000      0.5414000      0.7127000
  1 1 1      15  -14    9 f    6.385000      0.3106000       6.391000 0.3716000       6.380000      0.4979000      0.1172000E-01  0.6212000
  1 1 1      15  -14   10 o    7.686000      0.2992000       8.014000 0.4108000       7.357000      0.4351000      0.6565000      0.5984000
  1 1 1      15  -14   11 o    3.775000      0.5211000       4.243000 0.6085000       3.308000      0.8462000      0.9352000       1.042000
  1 1 1      15  -14   12 o    7.892000      0.3159000       8.375000 0.4015000       7.408000      0.4877000      0.9679000      0.6317000
  1 1 1      15  -14   13 o    5.447000      0.3657000       5.238000 0.4942000       5.657000      0.5392000     -0.4189000      0.7314000
  1 1 1      15  -14   14 o    8.250000      0.3091000       7.932000 0.4203000       8.568000      0.4532000     -0.6364000      0.6181000
  1 1 1      15  -14   15 o    6.285000      0.3554000       6.271000 0.4321000       6.299000      0.5644000     -0.2866000E-01  0.7108000
  1 1 1      15  -14   16 o    7.737000      0.3066000       8.230000 0.3932000       7.244000      0.4705000      0.9858000      0.6131000
  1 1 1      15  -14   17 o    3.601000      0.4711000       3.615000 0.6875000       3.587000      0.6444000      0.2820000E-01  0.9423000
  1 1 1      15  -14   18 o    2.353000      0.7051000       2.702000 1.090000       2.004000      0.8949000      0.6982000       1.410000
  1 1 1      15  -14   19 o    4.488000      0.5459000       4.351000 0.8093000       4.625000      0.7329000     -0.2746000       1.092000
  1 1 1      15  -14   20 o    3.212000      0.6465000       3.619000 0.8811000       2.806000      0.9465000      0.8129000       1.293000
  1 1 1      15  -14   21 o    6.660000      0.3591000       6.167000 0.5479000       7.154000      0.4645000     -0.9868000      0.7183000
  1 1 1      15  -14   22 o    5.534000      0.4096000       5.232000 0.6144000       5.836000      0.5417000     -0.6039000      0.8191000
  1 1 1      15  -14   23 o    3.621000      0.5847000       3.585000 0.8749000       3.658000      0.7760000     -0.7244000E-01   1.169000
  1 1 1      15  -14   24 f    2.026000      0.6028000       1.949000 0.8612000       2.103000      0.8437000     -0.1539000       1.206000
  1 1 1      15  -14   25 o    2.521000      0.6116000       2.913000 0.9132000       2.129000      0.8139000      0.7838000       1.223000
  1 1 1      15  -13    0 o    15.04000      0.3554000                  ?       ?   15.04000      0.3554000                  ?              ?
  1 1 1      15  -13    1 o    9.032000      0.2465000       8.713000 0.3124000       9.352000      0.3813000     -0.6391000      0.4929000
  1 1 1      15  -13    2 o    12.41000      0.2279000       12.34000 0.3196000       12.48000      0.3251000     -0.1418000      0.4559000
  1 1 1      15  -13    3 o    5.771000      0.2507000       5.684000 0.3470000       5.858000      0.3620000     -0.1733000      0.5015000
  1 1 1      15  -13    4 o    3.547000      0.3756000       3.509000 0.5323000       3.585000      0.5301000     -0.7617000E-01  0.7512000
  1 1 1      15  -13    5 o    8.204000      0.2198000       8.299000 0.3005000       8.109000      0.3208000      0.1902000      0.4396000
  1 1 1      15  -13    6 o    11.14000      0.2845000       10.79000 0.3082000       11.48000      0.4783000     -0.6923000      0.5690000
  1 1 1      15  -13    7 o    15.71000      0.3582000       15.94000 0.4954000       15.48000      0.5175000      0.4559000      0.7164000
  1 1 1      15  -13    8 o    13.67000      0.3274000       14.07000 0.4490000       13.26000      0.4766000      0.8095000      0.6548000
  1 1 1      15  -13    9 o    8.125000      0.3115000       8.719000 0.4014000       7.530000      0.4765000       1.189000      0.6230000
  1 1 1      15  -13   10 o    8.910000      0.2644000       9.234000 0.3398000       8.585000      0.4052000      0.6482000      0.5288000
  1 1 1      15  -13   11 o    9.601000      0.2805000       9.269000 0.3399000       9.933000      0.4463000     -0.6638000      0.5610000
  1 1 1      15  -13   12 o    5.434000      0.3504000       5.777000 0.4403000       5.091000      0.5453000      0.6862000      0.7008000
  1 1 1      15  -13   13 o    3.207000      0.9334000       3.319000 1.397000       3.096000       1.238000      0.2230000       1.867000
  1 1 1      15  -13   15 o    6.377000      0.7621000       7.281000 0.9645000       5.473000       1.180000       1.807000       1.524000
  1 1 1      15  -13   16 o    2.812000      0.8477000       2.832000 1.206000       2.792000       1.192000      0.4016000E-01   1.695000
  1 1 1      15  -13   17 o    2.337000      0.5525000       2.357000 0.7860000       2.318000      0.7766000      0.3951000E-01   1.105000
  1 1 1      15  -13   18 f    4.905000      0.3555000       5.473000 0.4274000       4.338000      0.5683000       1.135000      0.7111000
  1 1 1      15  -13   19 o    2.151000      0.5305000       1.923000 0.7369000       2.380000      0.7635000     -0.4576000       1.061000
  1 1 1      15  -13   20 o    4.979000      0.3262000       5.263000 0.4394000       4.695000      0.4822000      0.5681000      0.6524000
  1 1 1      15  -13   21 o    2.868000      0.4919000       3.290000 0.6503000       2.446000      0.7382000      0.8442000      0.9838000
  1 1 1      15  -13   22 o    7.013000      0.2558000       6.723000 0.3661000       7.303000      0.3573000     -0.5800000      0.5116000
  1 1 1      15  -13   23 o    7.547000      0.3591000       8.086000 0.3701000       7.007000      0.6155000       1.079000      0.7182000
  1 1 1      15  -13   24 o    2.735000      0.5619000       2.520000 0.8604000       2.951000      0.7229000     -0.4302000       1.124000
  1 1 1      15  -13   25 o    3.085000      0.6648000       3.598000 0.7740000       2.573000       1.081000       1.025000       1.330000
  1 1 1      15  -13   26 o    2.084000      0.5829000       1.736000 0.7862000       2.432000      0.8609000     -0.6967000       1.166000
  1 1 1      15  -12    0 o    6.553000      0.3348000                  ?       ?   6.553000      0.3348000                  ?              ?
  1 1 1      15  -12    1 o    6.429000      0.2335000       6.359000 0.3348000       6.500000      0.3255000     -0.1411000      0.4670000
  1 1 1      15  -12    2 o    6.099000      0.2349000       6.026000 0.3319000       6.172000      0.3324000     -0.1461000      0.4697000
  1 1 1      15  -12    3 o    6.698000      0.2245000       6.444000 0.3181000       6.951000      0.3170000     -0.5066000      0.4491000
  1 1 1      15  -12    4 o    5.936000      0.3816000       5.609000 0.4660000       6.263000      0.6043000     -0.6538000      0.7632000
  1 1 1      15  -12    5 o    12.46000      0.3280000       12.79000 0.4462000       12.13000      0.4809000      0.6674000      0.6560000
  1 1 1      15  -12    6 o    8.918000      0.3187000       8.748000 0.4191000       9.087000      0.4803000     -0.3389000      0.6374000
  1 1 1      15  -12    7 f    18.23000      0.2770000       18.04000 0.3823000       18.43000      0.4009000     -0.3835000      0.5540000
  1 1 1      15  -12    8 o    9.591000      0.2185000       9.558000 0.2943000       9.624000      0.3230000     -0.6583000E-01  0.4370000
  1 1 1      15  -12    9 o    5.176000      0.5188000       5.553000 0.6068000       4.799000      0.8417000      0.7535000       1.038000
  1 1 1      15  -12   10 o    5.703000      0.7555000       5.667000 0.8514000       5.739000       1.248000     -0.7198000E-01   1.511000
  1 1 1      15  -12   11 o    4.658000      0.8598000       4.913000 0.9924000       4.404000       1.404000      0.5087000       1.720000
  1 1 1      15  -12   12 o    2.010000      0.5380000       1.783000 0.7070000       2.236000      0.8111000     -0.4535000       1.076000
  1 1 1      15  -12   13 o    4.002000      0.4119000       3.782000 0.5567000       4.222000      0.6071000     -0.4400000      0.8237000
  1 1 1      15  -12   14 o    6.524000      0.2919000       7.005000 0.3775000       6.044000      0.4453000      0.9611000      0.5838000
  1 1 1      15  -12   15 o    5.120000      0.3327000       4.991000 0.4465000       5.249000      0.4933000     -0.2574000      0.6653000
  1 1 1      15  -12   16 o    5.946000      0.2951000       6.325000 0.3871000       5.566000      0.4455000      0.7584000      0.5902000
  1 1 1      15  -12   17 o    4.238000      0.3796000       4.255000 0.5002000       4.221000      0.5712000      0.3416000E-01  0.7592000
  1 1 1      15  -12   18 o    4.428000      0.3699000       4.905000 0.4315000       3.951000      0.6008000      0.9542000      0.7397000
  1 1 1      15  -12   19 o    4.039000      0.3367000       3.793000 0.4885000       4.284000      0.4635000     -0.4911000      0.6734000
  1 1 1      15  -12   20 o    3.767000      0.3641000       3.493000 0.5493000       4.040000      0.4780000     -0.5471000      0.7281000
  1 1 1      15  -12   21 o    3.225000      0.4096000       2.965000 0.6292000       3.484000      0.5247000     -0.5187000      0.8193000
  1 1 1      15  -12   22 o    1.976000      0.4987000       1.849000 0.7064000       2.103000      0.7042000     -0.2545000      0.9975000
  1 1 1      15  -12   23 o    3.851000      0.3868000       4.176000 0.5561000       3.527000      0.5378000      0.6487000      0.7736000
  1 1 1      15  -12   24 f    2.972000      0.5275000       2.757000 0.8227000       3.187000      0.6605000     -0.4307000       1.055000
  1 1 1      15  -12   25 o    3.032000      0.5290000       2.627000 0.8530000       3.438000      0.6258000     -0.8117000       1.058000
  1 1 1      15  -12   26 o    4.359000      0.4376000       3.924000 0.7091000       4.793000      0.5129000     -0.8688000      0.8752000
  1 1 1      15  -12   27 o    4.308000      0.4926000       4.584000 0.7153000       4.031000      0.6776000      0.5537000      0.9853000
  1 1 1      15  -11    0 o    6.030000      0.2492000       5.413000 0.3788000       6.647000      0.3239000      -1.234000      0.4985000
  1 1 1      15  -11    1 o    13.00000      0.2289000       13.24000 0.3237000       12.76000      0.3238000      0.4833000      0.4578000
  1 1 1      15  -11    2 o    13.95000      0.3509000       14.31000 0.4800000       13.60000      0.5121000      0.7178000      0.7019000
  1 1 1      15  -11    3 o    2.789000      0.5793000       3.350000 0.7329000       2.227000      0.8973000       1.122000       1.159000
  1 1 1      15  -11    4 o    5.575000      0.2343000       5.511000 0.3333000       5.639000      0.3293000     -0.1272000      0.4686000
  1 1 1      15  -11    5 o    5.390000      0.2398000       5.503000 0.3304000       5.276000      0.3477000      0.2269000      0.4797000
  1 1 1      15  -11    6 o    6.997000      0.2718000       7.305000 0.3886000       6.689000      0.3802000      0.6155000      0.5436000
  1 1 1      15  -11    7 o    11.63000      0.2878000       11.65000 0.4047000       11.61000      0.4094000      0.3456000E-01  0.5757000
  1 1 1      15  -11    8 o    2.475000      0.5875000       2.912000 0.8249000       2.037000      0.8368000      0.8750000       1.175000
  1 1 1      15  -11    9 o    8.503000      0.2150000       8.758000 0.2848000       8.248000      0.3223000      0.5099000      0.4301000
  1 1 1      15  -11   10 f    4.370000      0.3554000       4.862000 0.3852000       3.879000      0.5973000      0.9825000      0.7107000
  1 1 1      15  -11   11 o    8.820000      0.2483000       8.925000 0.3138000       8.715000      0.3848000      0.2104000      0.4965000
  1 1 1      15  -11   12 o    6.906000      0.2756000       7.220000 0.3373000       6.592000      0.4359000      0.6280000      0.5511000
  1 1 1      15  -11   13 o    9.715000      0.2746000       10.31000 0.3462000       9.122000      0.4263000       1.186000      0.5492000
  1 1 1      15  -11   14 o    2.780000      0.4801000       3.331000 0.5805000       2.228000      0.7648000       1.102000      0.9601000
  1 1 1      15  -11   15 o    4.925000      0.3451000       5.048000 0.4331000       4.801000      0.5375000      0.2470000      0.6903000
  1 1 1      15  -11   16 o    9.074000      0.2738000       9.475000 0.3662000       8.673000      0.4071000      0.8018000      0.5476000
  1 1 1      15  -11   17 f    2.673000      0.5155000       2.912000 0.6624000       2.433000      0.7901000      0.4792000       1.031000
  1 1 1      15  -11   18 o    7.231000      0.2457000       7.716000 0.3225000       6.746000      0.3707000      0.9700000      0.4913000
  1 1 1      15  -11   19 o    1.748000      0.4509000       2.198000 0.6780000       1.298000      0.5946000      0.8999000      0.9018000
  1 1 1      15  -11   20 o    3.571000      0.3518000       3.500000 0.5012000       3.643000      0.4937000     -0.1424000      0.7035000
  1 1 1      15  -11   21 o    2.286000      0.4534000       2.438000 0.6474000       2.135000      0.6350000      0.3032000      0.9069000
  1 1 1      15  -11   22 o    4.792000      0.2722000       4.587000 0.4035000       4.998000      0.3653000     -0.4105000      0.5443000
  1 1 1      15  -11   23 o    2.306000      0.4487000       3.088000 0.6404000       1.523000      0.6286000       1.565000      0.8974000
  1 1 1      15  -11   24 o    3.729000      0.4213000       3.163000 0.7307000       4.295000      0.4196000      -1.132000      0.8426000
  1 1 1      15  -11   25 f    3.062000      0.5120000       2.754000 0.8250000       3.369000      0.6066000     -0.6155000       1.024000
  1 1 1      15  -11   26 o    1.730000      0.5251000       1.771000 0.7816000       1.689000      0.7013000      0.8180000E-01   1.050000
  1 1 1      15  -11   27 f    3.272000      0.8810000       3.272000 0.8810000                  ?              ?              ?              ?
  1 1 1      15  -11   28 o    3.684000      0.5362000       3.056000 0.8918000       4.313000      0.5956000      -1.257000       1.072000
  1 1 1      15  -10    0 o    14.16000      0.3536000       14.43000 0.4845000       13.89000      0.5153000      0.5378000      0.7073000
  1 1 1      15  -10    1 o    8.769000      0.3383000       9.192000 0.4337000       8.345000      0.5193000      0.8474000      0.6766000
  1 1 1      15  -10    2 o    3.428000      0.3430000       3.653000 0.4729000       3.202000      0.4970000      0.4508000      0.6861000
  1 1 1      15  -10    3 o    11.46000      0.2126000       11.75000 0.2971000       11.17000      0.3041000      0.5770000      0.4252000
  1 1 1      15  -10    4 o    8.141000      0.2533000       8.334000 0.3711000       7.948000      0.3450000      0.3858000      0.5067000
  1 1 1      15  -10    5 o    10.10000      0.2588000       9.916000 0.3714000       10.28000      0.3605000     -0.3633000      0.5176000
  1 1 1      15  -10    6 o    14.64000      0.2325000       14.68000 0.3246000       14.59000      0.3329000      0.8751000E-01  0.4650000
  1 1 1      15  -10    7 o    6.528000      0.2031000       6.727000 0.2724000       6.330000      0.3012000      0.3976000      0.4061000
  1 1 1      15  -10    8 o    4.419000      0.2694000       4.281000 0.3602000       4.558000      0.4007000     -0.2777000      0.5388000
  1 1 1      15  -10    9 o    4.805000      0.2714000       4.681000 0.3509000       4.930000      0.4141000     -0.2489000      0.5428000
  1 1 1      15  -10   10 o    1.933000      0.4777000       2.089000 0.6381000       1.777000      0.7110000      0.3122000      0.9554000
  1 1 1      15  -10   11 o    3.335000      0.4148000       3.429000 0.5008000       3.242000      0.6613000      0.1869000      0.8296000
  1 1 1      15  -10   12 o    7.361000      0.2481000       7.530000 0.3084000       7.192000      0.3886000      0.3383000      0.4961000
  1 1 1      15  -10   13 o    13.68000      0.2662000       13.91000 0.3521000       13.45000      0.3992000      0.4545000      0.5323000
  1 1 1      15  -10   14 o    8.320000      0.2601000       8.358000 0.3368000       8.282000      0.3964000      0.7676000E-01  0.5201000
  1 1 1      15  -10   15 o    1.585000      0.4791000       1.542000 0.6544000       1.627000      0.7000000     -0.8512000E-01  0.9582000
  1 1 1      15  -10   16 o    5.818000      0.2865000       5.768000 0.3615000       5.867000      0.4445000     -0.9900000E-01  0.5730000
  1 1 1      15  -10   17 f    3.038000      0.4552000       3.596000 0.5167000       2.480000      0.7495000       1.116000      0.9104000
  1 1 1      15  -10   18 o    3.987000      0.3566000       4.321000 0.4125000       3.653000      0.5819000      0.6675000      0.7133000
  1 1 1      15  -10   19 o    5.633000      0.2288000       5.887000 0.2912000       5.380000      0.3531000      0.5072000      0.4577000
  1 1 1      15  -10   20 o    6.117000      0.2106000       6.278000 0.2852000       5.956000      0.3099000      0.3220000      0.4211000
  1 1 1      15  -10   21 o    5.058000      0.2252000       5.248000 0.3164000       4.869000      0.3205000      0.3792000      0.4504000
  1 1 1      15  -10   22 o    5.247000      0.2324000       4.974000 0.3509000       5.519000      0.3049000     -0.5447000      0.4649000
  1 1 1      15  -10   23 o    3.063000      0.3870000       3.437000 0.5539000       2.688000      0.5405000      0.7484000      0.7739000
  1 1 1      15  -10   24 o    2.668000      0.4804000       2.409000 0.8079000       2.927000      0.5199000     -0.5181000      0.9607000
  1 1 1      15  -10   25 f    4.850000      0.3118000       4.607000 0.4936000       5.093000      0.3810000     -0.4867000      0.6236000
  1 1 1      15  -10   26 o    2.602000      0.5691000       2.709000 0.8447000       2.495000      0.7628000      0.2132000       1.138000
  1 1 1      15  -10   27 o    4.269000      0.6629000       4.269000 0.6629000                  ?              ?              ?              ?
  1 1 1      15  -10   28 o    2.258000      0.5745000       2.488000 0.8674000       2.027000      0.7536000      0.4609000       1.149000
  1 1 1      15  -10   29 o    3.370000      0.7411000                  ?       ?   3.370000      0.7411000                  ?              ?
  1 1 1      15   -9    0 o    10.23000      0.2162000       10.31000 0.3061000       10.14000      0.3052000      0.1649000      0.4323000
  1 1 1      15   -9    1 o    6.607000      0.3093000                  ?       ?   6.607000      0.3093000                  ?              ?
  1 1 1      15   -9    2 o    15.66000      0.3372000       15.57000 0.4844000       15.74000      0.4694000     -0.1665000      0.6745000
  1 1 1      15   -9    3 o    3.297000      0.4117000       3.621000 0.6175000       2.973000      0.5447000      0.6475000      0.8234000
  1 1 1      15   -9    4 o    1.471000      0.4141000       1.759000 0.6340000       1.183000      0.5329000      0.5761000      0.8282000
  1 1 1      15   -9    5 o    9.004000      0.1913000       9.087000 0.2676000       8.922000      0.2735000      0.1645000      0.3826000
  1 1 1      15   -9    6 o    5.883000      0.2053000       5.978000 0.2941000       5.789000      0.2864000      0.1889000      0.4105000
  1 1 1      15   -9    7 o    5.556000      0.2153000       5.482000 0.2966000       5.630000      0.3120000     -0.1478000      0.4305000
  1 1 1      15   -9    8 o    14.68000      0.2270000       14.59000 0.3159000       14.77000      0.3260000     -0.1738000      0.4539000
  1 1 1      15   -9    9 o    4.017000      0.2776000       3.618000 0.3974000       4.415000      0.3876000     -0.7966000      0.5551000
  1 1 1      15   -9   10 o    4.730000      0.2680000       5.073000 0.3177000       4.387000      0.4318000      0.6853000      0.5361000
  1 1 1      15   -9   11 o    12.05000      0.2158000       12.13000 0.2891000       11.98000      0.3204000      0.1434000      0.4315000
  1 1 1      15   -9   12 o    6.630000      0.2551000       7.055000 0.3080000       6.205000      0.4067000      0.8506000      0.5101000
  1 1 1      15   -9   13 f    10.21000      0.2402000       10.57000 0.3009000       9.845000      0.3746000      0.7277000      0.4805000
  1 1 1      15   -9   14 o    7.042000      0.2581000       6.645000 0.3406000       7.439000      0.3878000     -0.7938000      0.5161000
  1 1 1      15   -9   15 o    11.83000      0.2668000       12.03000 0.3509000       11.64000      0.4019000      0.3888000      0.5336000
  1 1 1      15   -9   16 o    3.164000      0.4119000       3.102000 0.5414000       3.225000      0.6209000     -0.1229000      0.8238000
  1 1 1      15   -9   17 o    5.067000      0.2872000       5.339000 0.3651000       4.795000      0.4434000      0.5438000      0.5744000
  1 1 1      15   -9   18 o    7.227000      0.2244000       7.660000 0.2809000       6.793000      0.3501000      0.8676000      0.4489000
  1 1 1      15   -9   19 o    4.619000      0.2428000       4.738000 0.3215000       4.499000      0.3638000      0.2387000      0.4855000
  1 1 1      15   -9   20 o    2.359000      0.3989000       2.592000 0.5247000       2.127000      0.6011000      0.4649000      0.7979000
  1 1 1      15   -9   21 o    1.615000      0.4165000       1.760000 0.5999000       1.469000      0.5781000      0.2914000      0.8331000
  1 1 1      15   -9   22 o    2.221000      0.4242000       2.407000 0.6287000       2.036000      0.5696000      0.3717000      0.8483000
  1 1 1      15   -9   23 f    6.103000      0.2037000       6.311000 0.3070000       5.895000      0.2679000      0.4162000      0.4074000
  1 1 1      15   -9   24 o    6.488000      0.2178000       6.193000 0.3402000       6.783000      0.2723000     -0.5899000      0.4357000
  1 1 1      15   -9   25 o    7.683000      0.2313000       7.632000 0.3545000       7.734000      0.2973000     -0.1014000      0.4626000
  1 1 1      15   -9   26 o    3.060000      0.4882000       2.820000 0.8210000       3.300000      0.5286000     -0.4802000      0.9765000
  1 1 1      15   -9   27 o    1.714000      0.5074000       1.610000 0.7320000       1.818000      0.7028000     -0.2084000       1.015000
  1 1 1      15   -9   28 o    4.242000      0.4495000       3.800000 0.7656000       4.684000      0.4712000     -0.8844000      0.8990000
  1 1 1      15   -9   29 o    4.311000      0.4497000       3.514000 0.7767000       5.109000      0.4534000      -1.596000      0.8993000
  1 1 1      15   -9   30 o    4.214000      0.5019000       3.347000 0.8713000       5.081000      0.4984000      -1.734000       1.004000
  1 1 1      15   -8    0 o    7.940000      0.2812000       7.943000 0.4288000       7.936000      0.3637000      0.6196000E-02  0.5623000
  1 1 1      15   -8    1 o    14.58000      0.4506000                  ?       ?   14.58000      0.4506000                  ?              ?
  1 1 1      15   -8    2 o    6.563000      0.2136000       6.852000 0.3037000       6.274000      0.3005000      0.5784000      0.4272000
  1 1 1      15   -8    3 o    8.600000      0.1981000       8.554000 0.2783000       8.646000      0.2821000     -0.9190000E-01  0.3962000
  1 1 1      15   -8    4 o    4.495000      0.2359000       4.682000 0.3424000       4.308000      0.3246000      0.3742000      0.4718000
  1 1 1      15   -8    5 o    16.17000      0.2459000       16.20000 0.3445000       16.15000      0.3510000      0.5485000E-01  0.4918000
  1 1 1      15   -8    6 o    3.798000      0.2463000       4.021000 0.3424000       3.575000      0.3543000      0.4458000      0.4927000
  1 1 1      15   -8    7 o    6.157000      0.1912000       5.997000 0.2763000       6.317000      0.2643000     -0.3194000      0.3823000
  1 1 1      15   -8    8 o    8.845000      0.1845000       9.074000 0.2567000       8.616000      0.2650000      0.4583000      0.3690000
  1 1 1      15   -8    9 o    7.418000      0.1810000       7.317000 0.2505000       7.520000      0.2615000     -0.2027000      0.3621000
  1 1 1      15   -8   10 o    6.766000      0.1989000       6.931000 0.2592000       6.600000      0.3017000      0.3312000      0.3977000
  1 1 1      15   -8   11 o    3.437000      0.3277000       3.751000 0.3611000       3.123000      0.5469000      0.6281000      0.6554000
  1 1 1      15   -8   12 o    13.39000      0.2311000       13.11000 0.3019000       13.67000      0.3501000     -0.5666000      0.4623000
  1 1 1      15   -8   13 o    10.51000      0.2215000       10.64000 0.2838000       10.38000      0.3401000      0.2614000      0.4429000
  1 1 1      15   -8   14 o    3.391000      0.3807000       3.318000 0.4662000       3.465000      0.6021000     -0.1462000      0.7614000
  1 1 1      15   -8   15 o    12.47000      0.2668000       12.40000 0.3386000       12.55000      0.4125000     -0.1550000      0.5337000
  1 1 1      15   -8   16 o    4.595000      0.3077000       5.126000 0.3619000       4.064000      0.4977000       1.062000      0.6154000
  1 1 1      15   -8   17 o    5.840000      0.2677000       5.869000 0.3556000       5.811000      0.4002000      0.5768000E-01  0.5354000
  1 1 1      15   -8   18 o    1.846000      0.4413000       1.252000 0.5541000       2.439000      0.6869000      -1.187000      0.8826000
  1 1 1      15   -8   19 o    7.676000      0.1811000       7.776000 0.2381000       7.576000      0.2729000      0.2007000      0.3622000
  1 1 1      15   -8   20 o    1.584000      0.4044000       1.534000 0.5683000       1.633000      0.5756000     -0.9932000E-01  0.8089000
  1 1 1      15   -8   21 o    2.487000      0.3454000       2.863000 0.4302000       2.111000      0.5404000      0.7522000      0.6908000
  1 1 1      15   -8   22 o    7.491000      0.1769000       7.520000 0.2608000       7.463000      0.2391000      0.5729000E-01  0.3538000
  1 1 1      15   -8   23 o    1.341000      0.3882000       1.214000 0.5512000       1.468000      0.5469000     -0.2538000      0.7765000
  1 1 1      15   -8   24 o    7.215000      0.2015000       7.450000 0.3059000       6.980000      0.2622000      0.4703000      0.4029000
  1 1 1      15   -8   25 o    2.835000      0.4382000       1.996000 0.7580000       3.674000      0.4400000      -1.677000      0.8764000
  1 1 1      15   -8   26 o    6.150000      0.2704000       5.775000 0.4416000       6.525000      0.3121000     -0.7498000      0.5408000
  1 1 1      15   -8   27 o    6.260000      0.2879000       6.016000 0.4608000       6.504000      0.3452000     -0.4880000      0.5758000
  1 1 1      15   -8   28 o    2.040000      0.5253000       2.754000 0.8504000       1.325000      0.6169000       1.429000       1.051000
  1 1 1      15   -8   29 o    2.443000      0.4871000       1.545000 0.7119000       3.341000      0.6652000      -1.795000      0.9743000
  1 1 1      15   -8   30 o    2.422000      0.5729000       2.313000 0.8466000       2.532000      0.7722000     -0.2186000       1.146000
  1 1 1      15   -7    0 o    4.352000      0.2780000       4.344000 0.3909000       4.360000      0.3953000     -0.1616000E-01  0.5560000
  1 1 1      15   -7    1 o    11.49000      0.2147000       11.39000 0.2994000       11.59000      0.3079000     -0.1972000      0.4294000
  1 1 1      15   -7    2 o    6.333000      0.2098000       6.324000 0.2989000       6.342000      0.2945000     -0.1807000E-01  0.4196000
  1 1 1      15   -7    3 o    2.090000      0.3959000       2.634000 0.5261000       1.546000      0.5916000       1.088000      0.7917000
  1 1 1      15   -7    4 o    1.306000      0.3901000       1.319000 0.5581000       1.293000      0.5453000      0.2542000E-01  0.7803000
  1 1 1      15   -7    5 o    9.582000      0.1912000       9.785000 0.2683000       9.379000      0.2723000      0.4058000      0.3823000
  1 1 1      15   -7    6 o    4.109000      0.2436000       4.050000 0.3594000       4.168000      0.3288000     -0.1178000      0.4871000
  1 1 1      15   -7    7 o    6.306000      0.1859000       6.523000 0.2618000       6.088000      0.2640000      0.4357000      0.3718000
  1 1 1      15   -7    8 o    9.432000      0.1804000       9.499000 0.2522000       9.364000      0.2579000      0.1356000      0.3608000
  1 1 1      15   -7    9 o    6.011000      0.1867000       6.179000 0.2606000       5.842000      0.2673000      0.3370000      0.3733000
  1 1 1      15   -7   10 o    8.705000      0.1779000       8.713000 0.2428000       8.697000      0.2602000      0.1660000E-01  0.3558000
  1 1 1      15   -7   11 o    12.61000      0.2062000       12.80000 0.2853000       12.42000      0.2978000      0.3833000      0.4124000
  1 1 1      15   -7   12 o    5.284000      0.2318000       5.758000 0.2634000       4.811000      0.3814000      0.9472000      0.4636000
  1 1 1      15   -7   13 o    1.783000      0.4776000       1.760000 0.6312000       1.806000      0.7169000     -0.4589000E-01  0.9552000
  1 1 1      15   -7   14 o    9.388000      0.2255000       9.826000 0.2884000       8.951000      0.3467000      0.8755000      0.4510000
  1 1 1      15   -7   15 o    13.32000      0.2633000       13.47000 0.3426000       13.16000      0.3999000      0.3168000      0.5266000
  1 1 1      15   -7   16 o    2.182000      0.4784000       2.379000 0.6137000       1.985000      0.7341000      0.3941000      0.9569000
  1 1 1      15   -7   17 o    14.50000      0.2783000       15.08000 0.3551000       13.93000      0.4286000       1.144000      0.5566000
  1 1 1      15   -7   18 o    5.228000      0.2438000       5.347000 0.2977000       5.108000      0.3861000      0.2380000      0.4875000
  1 1 1      15   -7   19 o    11.86000      0.2677000       11.79000 0.3707000       11.93000      0.3862000     -0.1344000      0.5353000
  1 1 1      15   -7   20 o    3.547000      0.3678000       3.586000 0.4772000       3.507000      0.5599000      0.7899000E-01  0.7357000
  1 1 1      15   -7   21 o    3.843000      0.3576000       3.702000 0.5085000       3.983000      0.5028000     -0.2817000      0.7151000
  1 1 1      15   -7   22 o    3.880000      0.4297000       3.711000 0.6769000       4.050000      0.5296000     -0.3392000      0.8594000
  1 1 1      15   -7   23 o    3.652000      0.5025000       4.619000 0.5992000       2.686000      0.8067000       1.933000       1.005000
  1 1 1      15   -7   24 o    2.533000      0.3498000       2.364000 0.5892000       2.702000      0.3770000     -0.3386000      0.6995000
  1 1 1      15   -7   25 o    5.037000      0.2623000       5.099000 0.4185000       4.974000      0.3162000      0.1250000      0.5246000
  1 1 1      15   -7   26 o    3.463000      0.4237000       3.153000 0.7351000       3.773000      0.4214000     -0.6201000      0.8473000
  1 1 1      15   -7   27 o    3.594000      0.5987000       4.520000 0.5703000       2.667000       1.053000       1.853000       1.197000
  1 1 1      15   -7   28 f    2.033000      0.8051000       2.033000 0.8051000                  ?              ?              ?              ?
  1 1 1      15   -7   29 o    1.815000      0.4617000       1.223000 0.5894000       2.406000      0.7108000      -1.183000      0.9234000
  1 1 1      15   -7   30 o    2.341000       1.053000                  ?       ?   2.341000       1.053000                  ?              ?
  1 1 1      15   -7   31 f    3.948000      0.8721000       5.339000 1.373000       2.556000       1.075000       2.783000       1.744000
  1 1 1      15   -6    0 o    3.160000      0.3658000       2.994000 0.5404000       3.326000      0.4931000     -0.3311000      0.7316000
  1 1 1      15   -6    1 o    2.012000      0.4436000       2.233000 0.6314000       1.791000      0.6232000      0.4425000      0.8872000
  1 1 1      15   -6    2 o    4.603000      0.2503000       4.546000 0.3655000       4.660000      0.3421000     -0.1142000      0.5007000
  1 1 1      15   -6    3 o    15.20000      0.2381000       15.08000 0.3339000       15.33000      0.3396000     -0.2501000      0.4763000
  1 1 1      15   -6    4 o    10.32000      0.1954000       10.16000 0.2724000       10.49000      0.2803000     -0.3282000      0.3909000
  1 1 1      15   -6    5 o    6.661000      0.1896000       6.499000 0.2732000       6.823000      0.2630000     -0.3240000      0.3793000
  1 1 1      15   -6    6 o    4.852000      0.2028000       4.901000 0.2798000       4.802000      0.2937000      0.9848000E-01  0.4056000
  1 1 1      15   -6    7 o    6.794000      0.1775000       6.777000 0.2531000       6.811000      0.2490000     -0.3368000E-01  0.3551000
  1 1 1      15   -6    8 o    5.516000      0.1867000       5.539000 0.2664000       5.493000      0.2616000      0.4615000E-01  0.3734000
  1 1 1      15   -6    9 f    1.481000      0.3691000       1.158000 0.4959000       1.804000      0.5468000     -0.6458000      0.7382000
  1 1 1      15   -6   10 o    9.236000      0.1749000       9.061000 0.2409000       9.410000      0.2535000     -0.3493000      0.3497000
  1 1 1      15   -6   11 o    7.717000      0.1727000       7.831000 0.2363000       7.602000      0.2519000      0.2293000      0.3454000
  1 1 1      15   -6   12 o    4.710000      0.2224000       4.763000 0.2873000       4.657000      0.3395000      0.1059000      0.4448000
  1 1 1      15   -6   13 o    2.708000      0.4080000       3.437000 0.3931000       1.980000      0.7152000       1.457000      0.8161000
  1 1 1      15   -6   14 o    11.71000      0.2228000       11.90000 0.2916000       11.52000      0.3370000      0.3758000      0.4456000
  1 1 1      15   -6   15 o    7.284000      0.2420000       7.502000 0.3148000       7.065000      0.3676000      0.4370000      0.4840000
  1 1 1      15   -6   16 o    3.150000      0.3996000       3.407000 0.4746000       2.893000      0.6431000      0.5133000      0.7993000
  1 1 1      15   -6   17 o    11.91000      0.2666000       11.85000 0.3659000       11.96000      0.3879000     -0.1085000      0.5332000
  1 1 1      15   -6   18 o    10.48000      0.3080000       9.816000 0.2559000       11.14000      0.5604000      -1.327000      0.6161000
  1 1 1      15   -6   19 o    6.234000      0.1627000       6.455000 0.2126000       6.013000      0.2464000      0.4417000      0.3255000
  1 1 1      15   -6   20 o    9.281000      0.1557000       9.551000 0.2208000       9.011000      0.2197000      0.5396000      0.3115000
  1 1 1      15   -6   21 o    4.504000      0.1789000       4.287000 0.2499000       4.721000      0.2559000     -0.4334000      0.3577000
  1 1 1      15   -6   22 o    2.686000      0.2860000       2.915000 0.3570000       2.458000      0.4470000      0.4571000      0.5720000
  1 1 1      15   -6   24 o    7.987000      0.2281000       8.156000 0.3479000       7.819000      0.2951000      0.3372000      0.4562000
  1 1 1      15   -6   25 o    7.142000      0.2567000       6.551000 0.4078000       7.733000      0.3119000      -1.182000      0.5134000
  1 1 1      15   -6   26 o    2.700000      0.4995000       2.497000 0.8200000       2.902000      0.5706000     -0.4059000      0.9990000
  1 1 1      15   -6   27 o    3.009000      0.5220000       3.201000 0.8200000       2.816000      0.6461000      0.3850000       1.044000
  1 1 1      15   -6   28 o    1.793000      0.7746000       1.793000 0.7746000                  ?              ?              ?              ?
  1 1 1      15   -6   29 o    1.584000      0.4810000       1.360000 0.6457000       1.807000      0.7132000     -0.4468000      0.9620000
  1 1 1      15   -6   30 o    2.208000      0.7244000                  ?       ?   2.208000      0.7244000                  ?              ?
  1 1 1      15   -6   31 o    2.478000      0.5641000       2.629000 0.8416000       2.327000      0.7514000      0.3025000       1.128000
  1 1 1      15   -5    0 o    11.20000      0.3027000       11.20000 0.3027000                  ?              ?              ?              ?
  1 1 1      15   -5    1 o    4.021000      0.2779000       4.184000 0.3851000       3.859000      0.4006000      0.3253000      0.5557000
  1 1 1      15   -5    2 o    2.624000      0.5155000                  ?       ?   2.624000      0.5155000                  ?              ?
  1 1 1      15   -5    3 o    13.36000      0.2196000       13.35000 0.3119000       13.37000      0.3094000     -0.2073000E-01  0.4393000
  1 1 1      15   -5    4 o    3.921000      0.2627000       4.251000 0.3366000       3.591000      0.4034000      0.6594000      0.5254000
  1 1 1      15   -5    5 f    7.870000      0.1814000       8.033000 0.2538000       7.706000      0.2592000      0.3270000      0.3627000
  1 1 1      15   -5    6 o    6.414000      0.2115000       6.062000 0.2682000       6.766000      0.3272000     -0.7047000      0.4231000
  1 1 1      15   -5    7 o    10.44000      0.1868000       10.46000 0.2617000       10.42000      0.2668000      0.4088000E-01  0.3737000
  1 1 1      15   -5    8 o    2.526000      0.3158000       2.663000 0.4292000       2.390000      0.4634000      0.2727000      0.6316000
  1 1 1      15   -5    9 o    2.850000      0.2839000       2.992000 0.3810000       2.708000      0.4210000      0.2834000      0.5678000
  1 1 1      15   -5   10 o    4.098000      0.1965000       4.099000 0.2759000       4.098000      0.2799000      0.7172000E-03  0.3930000
  1 1 1      15   -5   11 o    1.486000      0.3664000       1.145000 0.4909000       1.828000      0.5439000     -0.6833000      0.7327000
  1 1 1      15   -5   12 o    7.524000      0.2519000       7.744000 0.3364000       7.304000      0.3750000      0.4398000      0.5038000
  1 1 1      15   -5   13 o    12.00000      0.2785000       11.72000 0.3785000       12.28000      0.4086000     -0.5574000      0.5570000
  1 1 1      15   -5   14 o    6.428000      0.2172000       6.279000 0.2685000       6.578000      0.3414000     -0.2991000      0.4343000
  1 1 1      15   -5   15 o    2.622000      0.4522000       2.533000 0.5628000       2.712000      0.7079000     -0.1792000      0.9044000
  1 1 1      15   -5   16 o    5.677000      0.2547000       5.899000 0.3154000       5.454000      0.4000000      0.4445000      0.5094000
  1 1 1      15   -5   17 o    4.360000      0.8451000       2.656000 1.077000       6.063000       1.302000      -3.407000       1.690000
  1 1 1      15   -5   18 o    19.09000      0.4042000       19.00000 0.5426000       19.19000      0.5993000     -0.1842000      0.8084000
  1 1 1      15   -5   19 o    11.70000      0.2518000       11.48000 0.3423000       11.91000      0.3693000     -0.4308000      0.5036000
  1 1 1      15   -5   20 o    6.088000      0.1605000       6.142000 0.2474000       6.035000      0.2045000      0.1078000      0.3210000
  1 1 1      15   -5   21 o    1.752000      0.3273000       1.740000 0.4894000       1.763000      0.4346000     -0.2329000E-01  0.6545000
  1 1 1      15   -5   22 o    11.20000      0.1720000       11.07000 0.2423000       11.34000      0.2442000     -0.2760000      0.3440000
  1 1 1      15   -5   23 o    7.962000      0.1586000       8.068000 0.2358000       7.856000      0.2122000      0.2122000      0.3172000
  1 1 1      15   -5   24 o    3.388000      0.2749000       3.691000 0.4122000       3.085000      0.3638000      0.6054000      0.5498000
  1 1 1      15   -5   25 o    3.445000      0.3344000       3.276000 0.5639000       3.614000      0.3594000     -0.3381000      0.6687000
  1 1 1      15   -5   26 o    2.874000      0.4323000       2.428000 0.7513000       3.320000      0.4278000     -0.8920000      0.8646000
  1 1 1      15   -5   27 o    5.038000      0.3160000       5.032000 0.5340000       5.043000      0.3381000     -0.1094000E-01  0.6321000
  1 1 1      15   -5   28 o    1.670000      0.5001000       1.845000 0.7572000       1.495000      0.6534000      0.3504000       1.000000
  1 1 1      15   -5   29 o    1.576000      0.5402000       1.491000 0.6892000       1.660000      0.8320000     -0.1692000       1.080000
  1 1 1      15   -5   30 o    1.805000      0.5208000       1.730000 0.7506000       1.880000      0.7222000     -0.1499000       1.042000
  1 1 1      15   -5   31 o    3.443000      0.4739000       3.481000 0.7708000       3.404000      0.5517000      0.7702000E-01  0.9479000
  1 1 1      15   -5   32 o    2.193000      0.5420000       2.573000 0.7998000       1.813000      0.7316000      0.7608000       1.084000
  1 1 1      15   -4    0 o    8.707000      0.2853000       8.707000 0.2853000                  ?              ?              ?              ?
  1 1 1      15   -4    1 o    12.96000      0.2221000       12.88000 0.3113000       13.04000      0.3168000     -0.1595000      0.4442000
  1 1 1      15   -4    2 o    6.031000      0.2939000                  ?       ?   6.031000      0.2939000                  ?              ?
  1 1 1      15   -4    3 o    1.604000      0.4198000       1.550000 0.5983000       1.657000      0.5890000     -0.1068000      0.8396000
  1 1 1      15   -4    4 o    10.50000      0.1949000       10.40000 0.2743000       10.61000      0.2770000     -0.2094000      0.3899000
  1 1 1      15   -4    5 o    7.128000      0.1808000       7.072000 0.2534000       7.184000      0.2580000     -0.1123000      0.3616000
  1 1 1      15   -4    6 o    11.89000      0.2376000       11.46000 0.2749000       12.33000      0.3876000     -0.8707000      0.4752000
  1 1 1      15   -4    7 o    13.62000      0.2146000       13.80000 0.3038000       13.44000      0.3033000      0.3614000      0.4293000
  1 1 1      15   -4    8 o    5.692000      0.1774000       5.860000 0.2465000       5.523000      0.2552000      0.3369000      0.3548000
  1 1 1      15   -4    9 o    5.300000      0.1791000       5.236000 0.2534000       5.363000      0.2531000     -0.1271000      0.3581000
  1 1 1      15   -4   10 o    7.388000      0.2583000       7.421000 0.3325000       7.355000      0.3953000      0.6603000E-01  0.5166000
  1 1 1      15   -4   11 o    7.886000      0.2503000       7.720000 0.3274000       8.051000      0.3788000     -0.3312000      0.5006000
  1 1 1      15   -4   12 o    8.248000      0.1574000       8.270000 0.2179000       8.226000      0.2272000      0.4385000E-01  0.3148000
  1 1 1      15   -4   13 o    7.030000      0.1706000       7.004000 0.2229000       7.056000      0.2584000     -0.5150000E-01  0.3413000
  1 1 1      15   -4   15 o    17.99000      0.4199000       18.44000 0.5429000       17.54000      0.6407000      0.8982000      0.8398000
  1 1 1      15   -4   16 o    5.280000      0.2424000       5.796000 0.2704000       4.765000      0.4023000       1.031000      0.4847000
  1 1 1      15   -4   17 o    1.599000      0.4294000       1.610000 0.5777000       1.589000      0.6354000      0.2081000E-01  0.8588000
  1 1 1      15   -4   18 o    11.30000      0.1940000       11.01000 0.2518000       11.59000      0.2952000     -0.5750000      0.3880000
  1 1 1      15   -4   19 o    18.91000      0.2618000       18.69000 0.3639000       19.13000      0.3765000     -0.4370000      0.5236000
  1 1 1      15   -4   20 o    3.402000      0.1662000       3.072000 0.2441000       3.731000      0.2256000     -0.6594000      0.3324000
  1 1 1      15   -4   21 o    5.909000      0.1336000       5.997000 0.1921000       5.821000      0.1856000      0.1761000      0.2671000
  1 1 1      15   -4   22 o    5.960000      0.1451000       5.892000 0.2133000       6.027000      0.1967000     -0.1348000      0.2901000
  1 1 1      15   -4   23 o    8.742000      0.1815000       8.489000 0.2197000       8.996000      0.2890000     -0.5079000      0.3631000
  1 1 1      15   -4   24 o    3.743000      0.2367000       3.622000 0.3775000       3.865000      0.2857000     -0.2435000      0.4734000
  1 1 1      15   -4   25 o    6.313000      0.1894000       6.346000 0.2972000       6.280000      0.2348000      0.6559000E-01  0.3788000
  1 1 1      15   -4   26 o    5.270000      0.2460000       5.006000 0.4050000       5.533000      0.2794000     -0.5279000      0.4921000
  1 1 1      15   -4   27 o    5.881000      0.3620000       5.943000 0.3931000       5.820000      0.6080000      0.1228000      0.7241000
  1 1 1      15   -4   28 o    2.059000      0.5201000       2.337000 0.7974000       1.782000      0.6681000      0.5543000       1.040000
  1 1 1      15   -4   29 o    2.080000      0.5010000       2.790000 0.7871000       1.370000      0.6201000       1.420000       1.002000
  1 1 1      15   -4   30 o    4.019000      0.4136000       3.211000 0.7212000       4.826000      0.4049000      -1.616000      0.8271000
  1 1 1      15   -4   31 o    5.805000      0.2593000       5.722000 0.3955000       5.888000      0.3355000     -0.1659000      0.5186000
  1 1 1      15   -4   32 o    6.154000      0.3336000       5.788000 0.5894000       6.520000      0.3128000     -0.7316000      0.6673000
  1 1 1      15   -3    0 o    4.566000      0.2457000       4.900000 0.3409000       4.231000      0.3538000      0.6696000      0.4913000
  1 1 1      15   -3    1 f    15.55000      0.2409000       15.72000 0.3481000       15.38000      0.3330000      0.3471000      0.4818000
  1 1 1      15   -3    2 o    17.40000      0.2600000       17.29000 0.3701000       17.52000      0.3653000     -0.2263000      0.5201000
  1 1 1      15   -3    3 o    12.75000      0.2538000       12.87000 0.3031000       12.63000      0.4071000      0.2416000      0.5075000
  1 1 1      15   -3    4 o    15.03000      0.2336000       15.39000 0.3348000       14.66000      0.3257000      0.7338000      0.4671000
  1 1 1      15   -3    5 o    11.10000      0.1962000       11.25000 0.2769000       10.96000      0.2779000      0.2925000      0.3923000
  1 1 1      15   -3    6 o    9.812000      0.1862000       9.841000 0.2612000       9.783000      0.2655000      0.5811000E-01  0.3725000
  1 1 1      15   -3    7 f    7.100000      0.1748000       6.938000 0.2468000       7.263000      0.2474000     -0.3248000      0.3495000
  1 1 1      15   -3    8 o    8.629000      0.2618000       9.059000 0.3487000       8.198000      0.3905000      0.8611000      0.5235000
  1 1 1      15   -3    9 o    3.518000      0.4219000       4.166000 0.4284000       2.871000      0.7270000       1.295000      0.8439000
  1 1 1      15   -3   10 o    3.624000      0.2056000       3.566000 0.2907000       3.682000      0.2909000     -0.1164000      0.4112000
  1 1 1      15   -3   11 f    10.60000      0.1742000       10.48000 0.2427000       10.72000      0.2500000     -0.2436000      0.3484000
  1 1 1      15   -3   12 o    5.148000      0.1951000       5.229000 0.2827000       5.067000      0.2691000      0.1615000      0.3902000
  1 1 1      15   -3   13 o    8.212000      0.2045000       8.229000 0.2841000       8.194000      0.2942000      0.3506000E-01  0.4089000
  1 1 1      15   -3   14 o    5.904000      0.1692000       5.634000 0.2182000       6.175000      0.2588000     -0.5405000      0.3385000
  1 1 1      15   -3   15 o    16.72000      0.2492000       16.81000 0.3432000       16.62000      0.3613000      0.1886000      0.4983000
  1 1 1      15   -3   16 o    8.005000      0.2260000       8.421000 0.3025000       7.589000      0.3360000      0.8314000      0.4521000
  1 1 1      15   -3   17 o    7.850000      0.2057000       7.562000 0.2557000       8.138000      0.3223000     -0.5762000      0.4114000
  1 1 1      15   -3   18 o    7.451000      0.1922000       7.677000 0.2143000       7.226000      0.3192000      0.4505000      0.3845000
  1 1 1      15   -3   19 o    11.61000      0.1718000       11.55000 0.2396000       11.67000      0.2462000     -0.1205000      0.3436000
  1 1 1      15   -3   20 o    5.998000      0.1766000       6.258000 0.1767000       5.738000      0.3059000      0.5203000      0.3533000
  1 1 1      15   -3   21 o    10.36000      0.1570000       10.31000 0.2205000       10.42000      0.2236000     -0.1061000      0.3140000
  1 1 1      15   -3   22 o    1.973000      0.2880000       2.196000 0.3891000       1.750000      0.4248000      0.4457000      0.5761000
  1 1 1      15   -3   23 o    9.611000      0.1548000       9.639000 0.2217000       9.584000      0.2160000      0.5445000E-01  0.3095000
  1 1 1      15   -3   24 o    5.332000      0.1649000       5.448000 0.2505000       5.215000      0.2144000      0.2330000      0.3297000
  1 1 1      15   -3   25 o    6.078000      0.1731000       6.233000 0.2619000       5.922000      0.2265000      0.3108000      0.3463000
  1 1 1      15   -3   26 o    6.857000      0.2005000       6.541000 0.3123000       7.174000      0.2514000     -0.6328000      0.4010000
  1 1 1      15   -3   27 o    4.159000      0.2979000       4.139000 0.4758000       4.180000      0.3585000     -0.4179000E-01  0.5958000
  1 1 1      15   -3   28 o    3.085000      0.4227000       2.965000 0.6843000       3.205000      0.4964000     -0.2398000      0.8454000
  1 1 1      15   -3   29 o    3.246000      0.7148000       3.246000 0.7148000                  ?              ?              ?              ?
  1 1 1      15   -3   30 o    4.259000      0.3689000       4.134000 0.6116000       4.384000      0.4126000     -0.2500000      0.7377000
  1 1 1      15   -3   31 o    5.557000      0.2705000       5.654000 0.3799000       5.459000      0.3851000      0.1952000      0.5409000
  1 1 1      15   -3   32 o    4.591000      0.2621000       4.006000 0.4244000       5.176000      0.3077000      -1.169000      0.5242000
  1 1 1      15   -3   33 o    7.112000      0.2673000       7.554000 0.3553000       6.671000      0.3995000      0.8832000      0.5346000
  1 1 1      15   -2    0 o    10.47000      0.1992000       10.78000 0.2902000       10.17000      0.2729000      0.6034000      0.3984000
  1 1 1      15   -2    1 f    16.30000      0.2485000       16.55000 0.3590000       16.05000      0.3437000      0.5000000      0.4970000
  1 1 1      15   -2    2 o    5.178000      0.2046000       5.450000 0.2995000       4.907000      0.2787000      0.5431000      0.4091000
  1 1 1      15   -2    3 o    4.292000      0.2362000       4.057000 0.3684000       4.528000      0.2959000     -0.4708000      0.4725000
  1 1 1      15   -2    4 o    5.130000      0.1960000       5.534000 0.2806000       4.726000      0.2737000      0.8073000      0.3920000
  1 1 1      15   -2    5 o    3.247000      0.2541000       3.296000 0.3869000       3.199000      0.3296000      0.9653000E-01  0.5083000
  1 1 1      15   -2    6 o    5.510000      0.2540000       5.422000 0.3754000       5.598000      0.3422000     -0.1764000      0.5080000
  1 1 1      15   -2    7 f    15.71000      0.4703000       15.71000 0.4703000                  ?              ?              ?              ?
  1 1 1      15   -2    8 o    7.790000      0.1688000       7.761000 0.2375000       7.819000      0.2400000     -0.5764000E-01  0.3377000
  1 1 1      15   -2    9 o    9.667000      0.1726000       9.586000 0.2402000       9.749000      0.2479000     -0.1623000      0.3451000
  1 1 1      15   -2   10 o    3.355000      0.2767000       3.165000 0.4305000       3.545000      0.3479000     -0.3806000      0.5535000
  1 1 1      15   -2   11 o    5.821000      0.1941000       5.803000 0.2885000       5.838000      0.2598000     -0.3485000E-01  0.3883000
  1 1 1      15   -2   12 f    5.305000      0.1509000       5.073000 0.2125000       5.536000      0.2142000     -0.4636000      0.3018000
  1 1 1      15   -2   13 o    10.92000      0.1727000       11.10000 0.2440000       10.75000      0.2446000      0.3435000      0.3454000
  1 1 1      15   -2   14 o    6.396000      0.1977000       6.396000 0.1977000                  ?              ?              ?              ?
  1 1 1      15   -2   15 o    11.96000      0.2325000       11.83000 0.2582000       12.08000      0.3868000     -0.2479000      0.4650000
  1 1 1      15   -2   16 o    9.207000      0.2003000       9.338000 0.2579000       9.075000      0.3065000      0.2626000      0.4006000
  1 1 1      15   -2   17 o    11.60000      0.2188000       11.66000 0.2757000       11.53000      0.3397000      0.1257000      0.4375000
  1 1 1      15   -2   18 o    12.57000      0.2795000       12.23000 0.3690000       12.92000      0.4199000     -0.6982000      0.5591000
  1 1 1      15   -2   19 o    6.932000      0.1242000       6.862000 0.1714000       7.001000      0.1797000     -0.1399000      0.2484000
  1 1 1      15   -2   20 o    11.78000      0.1704000       11.85000 0.2404000       11.71000      0.2415000      0.1408000      0.3408000
  1 1 1      15   -2   21 o    11.76000      0.1715000       11.67000 0.2388000       11.86000      0.2463000     -0.1922000      0.3430000
  1 1 1      15   -2   22 o    11.13000      0.1654000       11.15000 0.2344000       11.11000      0.2333000      0.3656000E-01  0.3307000
  1 1 1      15   -2   23 o    1.260000      0.3206000       1.413000 0.4654000       1.107000      0.4411000      0.3054000      0.6412000
  1 1 1      15   -2   24 o    4.084000      0.1637000       4.058000 0.2407000       4.110000      0.2220000     -0.5142000E-01  0.3274000
  1 1 1      15   -2   25 o    5.271000      0.1682000       5.302000 0.2585000       5.241000      0.2152000      0.6070000E-01  0.3364000
  1 1 1      15   -2   26 o    3.495000      0.2707000       3.503000 0.4235000       3.487000      0.3374000      0.1595000E-01  0.5414000
  1 1 1      15   -2   27 o    2.872000      0.3914000       2.764000 0.6241000       2.980000      0.4726000     -0.2161000      0.7828000
  1 1 1      15   -2   28 o    4.079000      0.3290000       3.708000 0.5522000       4.450000      0.3580000     -0.7423000      0.6580000
  1 1 1      15   -2   29 o    2.235000      0.7417000       2.235000 0.7417000                  ?              ?              ?              ?
  1 1 1      15   -2   30 o    4.494000      0.2674000       3.981000 0.4314000       5.007000      0.3161000      -1.025000      0.5348000
  1 1 1      15   -2   32 o    5.596000      0.2917000       5.278000 0.4631000       5.914000      0.3549000     -0.6360000      0.5834000
  1 1 1      15   -2   33 o    7.119000      0.2300000       7.024000 0.3194000       7.214000      0.3309000     -0.1898000      0.4599000
  1 1 1      15   -1    0 o    9.930000      0.1945000       9.890000 0.2796000       9.970000      0.2705000     -0.8062000E-01  0.3891000
  1 1 1      15   -1    1 o    4.060000      0.3686000       4.060000 0.3686000                  ?              ?              ?              ?
  1 1 1      15   -1    2 o    12.57000      0.2087000       12.54000 0.3005000       12.60000      0.2896000     -0.5614000E-01  0.4173000
  1 1 1      15   -1    3 o    6.810000      0.2447000                  ?       ?   6.810000      0.2447000                  ?              ?
  1 1 1      15   -1    4 o    12.50000      0.2054000       12.37000 0.2956000       12.62000      0.2852000     -0.2488000      0.4108000
  1 1 1      15   -1    5 o    11.33000      0.2713000       11.34000 0.3875000       11.32000      0.3798000      0.1739000E-01  0.5426000
  1 1 1      15   -1    6 o    1.581000      0.4391000       1.625000 0.6318000       1.538000      0.6099000      0.8626000E-01  0.8781000
  1 1 1      15   -1    7 o    8.647000      0.1676000       8.317000 0.2417000       8.977000      0.2321000     -0.6597000      0.3352000
  1 1 1      15   -1    8 o    2.753000      0.2751000       2.937000 0.4026000       2.570000      0.3752000      0.3673000      0.5503000
  1 1 1      15   -1    9 o    12.03000      0.2634000       11.73000 0.3734000       12.33000      0.3715000     -0.5985000      0.5268000
  1 1 1      15   -1   10 o    5.139000      0.1645000       4.893000 0.2476000       5.384000      0.2166000     -0.4909000      0.3290000
  1 1 1      15   -1   11 o    11.05000      0.1738000       11.08000 0.2487000       11.02000      0.2427000      0.6291000E-01  0.3475000
  1 1 1      15   -1   12 o    12.92000      0.1910000       12.52000 0.2653000       13.32000      0.2748000     -0.8083000      0.3819000
  1 1 1      15   -1   13 o    6.886000      0.1547000       6.943000 0.1944000       6.830000      0.2407000      0.1124000      0.3094000
  1 1 1      15   -1   14 f    7.254000      0.1912000       7.405000 0.1928000       7.102000      0.3303000      0.3028000      0.3825000
  1 1 1      15   -1   15 o    10.44000      0.1668000       10.50000 0.2295000       10.37000      0.2420000      0.1288000      0.3335000
  1 1 1      15   -1   16 o    10.27000      0.2170000       10.02000 0.3206000       10.52000      0.2925000     -0.5049000      0.4340000
  1 1 1      15   -1   17 o    9.787000      0.1990000       9.546000 0.2483000       10.03000      0.3110000     -0.4825000      0.3979000
  1 1 1      15   -1   18 o    10.65000      0.1650000       10.90000 0.2314000       10.41000      0.2352000      0.4928000      0.3299000
  1 1 1      15   -1   19 o    3.137000      0.1467000       2.950000 0.2322000       3.323000      0.1794000     -0.3729000      0.2934000
  1 1 1      15   -1   20 o    4.517000      0.1915000       4.904000 0.1702000       4.131000      0.3431000      0.7734000      0.3830000
  1 1 1      15   -1   21 o    14.55000      0.2037000       14.54000 0.2869000       14.55000      0.2892000     -0.1340000E-01  0.4074000
  1 1 1      15   -1   22 o    8.281000      0.1686000       8.537000 0.1944000       8.025000      0.2755000      0.5122000      0.3372000
  1 1 1      15   -1   23 o    2.747000      0.2201000       2.865000 0.2033000       2.629000      0.3905000      0.2362000      0.4402000
  1 1 1      15   -1   24 o    4.482000      0.2279000       4.282000 0.3618000       4.681000      0.2772000     -0.3987000      0.4558000
  1 1 1      15   -1   25 o    3.887000      0.1827000       3.466000 0.2105000       4.308000      0.2986000     -0.8423000      0.3654000
  1 1 1      15   -1   26 o    1.601000      0.3896000       1.492000 0.5547000       1.709000      0.5473000     -0.2171000      0.7792000
  1 1 1      15   -1   27 o    6.240000      0.1784000       5.841000 0.2799000       6.640000      0.2213000     -0.7986000      0.3568000
  1 1 1      15   -1   28 f    1.504000      0.4129000       1.280000 0.5698000       1.727000      0.5976000     -0.4475000      0.8257000
  1 1 1      15   -1   29 o    2.267000      0.4510000       2.654000 0.6617000       1.880000      0.6131000      0.7740000      0.9021000
  1 1 1      15   -1   30 o    3.290000      0.3021000       3.279000 0.3996000       3.301000      0.4532000     -0.2156000E-01  0.6042000
  1 1 1      15   -1   31 o    1.917000      0.3587000       2.781000 0.5396000       1.054000      0.4726000       1.727000      0.7173000
  1 1 1      15   -1   32 o    4.628000      0.2771000       4.678000 0.4339000       4.578000      0.3449000      0.9948000E-01  0.5543000
  1 1 1      15   -1   33 o    1.339000      0.3787000       1.259000 0.5279000       1.420000      0.5430000     -0.1614000      0.7573000
  1 1 1      15    0    0 o    8.720000      0.1826000       8.835000 0.2585000       8.606000      0.2580000      0.2293000      0.3652000
  1 1 1      15    0    1 o    8.998000      0.2564000       8.998000 0.2564000                  ?              ?              ?              ?
  1 1 1      15    0    2 o    8.882000      0.1788000       8.689000 0.2523000       9.074000      0.2536000     -0.3853000      0.3577000
  1 1 1      15    0    3 o    9.656000      0.2567000                  ?       ?   9.656000      0.2567000                  ?              ?
  1 1 1      15    0    4 o    6.251000      0.2583000       6.440000 0.3692000       6.063000      0.3612000      0.3770000      0.5165000
  1 1 1      15    0    5 o    3.228000      0.3613000       3.032000 0.5308000       3.424000      0.4902000     -0.3915000      0.7226000
  1 1 1      15    0    6 o    14.64000      0.2216000       14.46000 0.3143000       14.82000      0.3124000     -0.3578000      0.4432000
  1 1 1      15    0    7 o    5.320000      0.1729000       5.056000 0.2555000       5.584000      0.2328000     -0.5280000      0.3457000
  1 1 1      15    0    8 o    9.050000      0.2341000       8.510000 0.3380000       9.589000      0.3241000      -1.079000      0.4683000
  1 1 1      15    0    9 o    4.614000      0.1771000       4.543000 0.2702000       4.686000      0.2289000     -0.1431000      0.3541000
  1 1 1      15    0   10 o    7.764000      0.1539000       7.740000 0.2227000       7.789000      0.2125000     -0.4880000E-01  0.3079000
  1 1 1      15    0   11 o    4.946000      0.1541000       4.814000 0.2295000       5.078000      0.2056000     -0.2642000      0.3081000
  1 1 1      15    0   12 f    7.160000      0.1416000       6.951000 0.2043000       7.368000      0.1963000     -0.4162000      0.2833000
  1 1 1      15    0   13 o    4.272000      0.1424000       4.158000 0.2175000       4.385000      0.1840000     -0.2272000      0.2849000
  1 1 1      15    0   14 o    2.852000      0.1774000       2.562000 0.2729000       3.141000      0.2268000     -0.5782000      0.3549000
  1 1 1      15    0   15 o    4.795000      0.1283000       4.560000 0.1814000       5.029000      0.1815000     -0.4689000      0.2566000
  1 1 1      15    0   16 o    11.67000      0.2188000       11.54000 0.3478000       11.81000      0.2654000     -0.2731000      0.4375000
  1 1 1      15    0   17 o    4.253000      0.1829000       4.204000 0.2633000       4.303000      0.2540000     -0.9906000E-01  0.3658000
  1 1 1      15    0   18 o    14.39000      0.2006000       14.20000 0.2797000       14.59000      0.2877000     -0.3909000      0.4013000
  1 1 1      15    0   19 o    5.367000      0.1198000       5.455000 0.1926000       5.280000      0.1424000      0.1749000      0.2395000
  1 1 1      15    0   30 o    2.123000      0.3129000       2.421000 0.4028000       1.826000      0.4790000      0.5945000      0.6259000
  1 1 1      15    0   31 o    1.278000      0.3326000       1.006000 0.4486000       1.550000      0.4911000     -0.5442000      0.6651000
  1 1 1      15    0   32 o    4.944000      0.1949000       4.831000 0.2362000       5.057000      0.3101000     -0.2264000      0.3898000
  1 1 1      15    0   33 o    4.927000      0.2094000       5.273000 0.2330000       4.581000      0.3479000      0.6918000      0.4187000
  1 1 1      15    0   34 o    3.823000      0.2146000       3.887000 0.3032000       3.759000      0.3037000      0.1280000      0.4292000
  1 1 1      15    1    0 o    2.653000      0.3342000       2.746000 0.4383000       2.561000      0.5047000      0.1845000      0.6685000
  1 1 1      15    1    1 o    5.189000      0.1915000       5.207000 0.2861000       5.172000      0.2545000      0.3500000E-01  0.3829000
  1 1 1      15    1    2 o    4.418000      0.2086000       4.404000 0.2922000       4.431000      0.2977000     -0.2641000E-01  0.4172000
  1 1 1      15    1    3 o    13.22000      0.2976000       13.26000 0.4200000       13.18000      0.4219000      0.7192000E-01  0.5953000
  1 1 1      15    1    4 o    12.56000      0.2879000       12.79000 0.4145000       12.33000      0.3998000      0.4653000      0.5759000
  1 1 1      15    1    5 o    11.55000      0.1905000       11.69000 0.2717000       11.42000      0.2670000      0.2651000      0.3810000
  1 1 1      15    1    6 o    18.57000      0.2658000       18.38000 0.3727000       18.76000      0.3791000     -0.3829000      0.5316000
  1 1 1      15    1    7 o    12.05000      0.3770000                  ?       ?   12.05000      0.3770000                  ?              ?
  1 1 1      15    1    8 o    8.785000      0.1646000       8.452000 0.2364000       9.117000      0.2290000     -0.6648000      0.3292000
  1 1 1      15    1    9 o    7.755000      0.1596000       7.391000 0.2311000       8.120000      0.2201000     -0.7293000      0.3192000
  1 1 1      15    1   10 o    7.156000      0.1510000       7.243000 0.2187000       7.070000      0.2084000      0.1738000      0.3020000
  1 1 1      15    1   11 o    11.39000      0.1775000       11.28000 0.2526000       11.51000      0.2494000     -0.2313000      0.3550000
  1 1 1      15    1   12 o    8.503000      0.1494000       8.306000 0.2144000       8.700000      0.2082000     -0.3948000      0.2988000
  1 1 1      15    1   13 o    11.44000      0.1722000       11.66000 0.2492000       11.21000      0.2376000      0.4543000      0.3443000
  1 1 1      15    1   14 o    11.93000      0.1748000       11.72000 0.2453000       12.14000      0.2491000     -0.4139000      0.3497000
  1 1 1      15    1   15 o    6.945000      0.1241000       6.721000 0.1751000       7.168000      0.1759000     -0.4472000      0.2482000
  1 1 1      15    1   16 o    6.255000      0.1491000       6.489000 0.2378000       6.021000      0.1801000      0.4689000      0.2983000
  1 1 1      15    1   17 o    3.353000      0.4603000       3.142000 0.8827000       3.564000      0.2619000     -0.4219000      0.9207000
  1 1 1      15    1   31 o    1.383000      0.3437000       1.462000 0.4618000       1.304000      0.5093000      0.1587000      0.6875000
  1 1 1      15    1   32 o    2.188000      0.3344000       2.139000 0.4424000       2.237000      0.5015000     -0.9803000E-01  0.6688000
  1 1 1      15    1   33 o    6.406000      0.2118000       6.242000 0.2830000       6.570000      0.3153000     -0.3286000      0.4237000
  1 1 1      15    1   34 o    1.587000      0.3652000       1.121000 0.4845000       2.053000      0.5465000     -0.9319000      0.7303000
  1 1 1      15    2    0 o    11.46000      0.1996000       11.51000 0.2818000       11.41000      0.2827000      0.9746000E-01  0.3992000
  1 1 1      15    2    1 o    8.684000      0.1823000       8.630000 0.2575000       8.738000      0.2581000     -0.1088000      0.3646000
  1 1 1      15    2    2 o    20.26000      0.2902000       20.17000 0.4091000       20.36000      0.4118000     -0.1971000      0.5804000
  1 1 1      15    2    3 o    14.88000      0.3220000       14.65000 0.4512000       15.11000      0.4595000     -0.4635000      0.6440000
  1 1 1      15    2    4 o    17.43000      0.2543000       17.58000 0.3624000       17.29000      0.3569000      0.2886000      0.5086000
  1 1 1      15    2    5 o    14.43000      0.2188000       14.32000 0.3086000       14.53000      0.3104000     -0.2170000      0.4376000
  1 1 1      15    2    6 o    10.76000      0.2500000       10.59000 0.3457000       10.93000      0.3613000     -0.3480000      0.5000000
  1 1 1      15    2    7 o    13.44000      0.2043000       13.50000 0.2897000       13.38000      0.2880000      0.1242000      0.4085000
  1 1 1      15    2    8 o    5.765000      0.1557000       5.578000 0.2213000       5.951000      0.2190000     -0.3730000      0.3113000
  1 1 1      15    2    9 o    11.00000      0.1760000       10.94000 0.2481000       11.07000      0.2496000     -0.1316000      0.3519000
  1 1 1      15    2   10 o    8.293000      0.1504000       8.298000 0.2116000       8.288000      0.2139000      0.1008000E-01  0.3009000
  1 1 1      15    2   11 o    5.608000      0.1511000       5.605000 0.2206000       5.612000      0.2067000     -0.7430000E-02  0.3023000
  1 1 1      15    2   12 o    11.29000      0.1740000       10.94000 0.2443000       11.64000      0.2478000     -0.6984000      0.3480000
  1 1 1      15    2   13 o    9.163000      0.1503000       9.170000 0.2159000       9.156000      0.2092000      0.1367000E-01  0.3006000
  1 1 1      15    2   14 o    4.581000      0.1349000       4.550000 0.2049000       4.612000      0.1754000     -0.6224000E-01  0.2697000
  1 1 1      15    2   15 o    3.593000      0.1338000       3.455000 0.2036000       3.731000      0.1736000     -0.2760000      0.2676000
  1 1 1      15    2   16 o    5.923000      0.1408000       5.728000 0.1935000       6.118000      0.2044000     -0.3896000      0.2815000
  1 1 1      15    2   31 o    6.551000      0.1711000       6.186000 0.1794000       6.916000      0.2914000     -0.7292000      0.3422000
  1 1 1      15    2   32 o    1.664000      0.5470000                  ?       ?   1.664000      0.5470000                  ?              ?
  1 1 1      15    2   33 o    1.128000      0.3460000       1.031000 0.4575000       1.226000      0.5193000     -0.1947000      0.6920000
  1 1 1      15    2   34 o    3.792000      0.2333000       4.370000 0.2669000       3.213000      0.3827000       1.157000      0.4666000
  1 1 1      15    3    0 o    6.069000      0.1927000       5.790000 0.2719000       6.347000      0.2731000     -0.5565000      0.3854000
  1 1 1      15    3    1 f    1.420000      0.3827000       1.644000 0.5613000       1.197000      0.5204000      0.4465000      0.7654000
  1 1 1      15    3    2 o    11.86000      0.2818000       11.34000 0.3902000       12.38000      0.4068000      -1.045000      0.5636000
  1 1 1      15    3    3 o    9.272000      0.2533000       9.372000 0.3580000       9.172000      0.3585000      0.2001000      0.5066000
  1 1 1      15    3    4 o    20.17000      0.2866000       20.07000 0.4037000       20.27000      0.4070000     -0.1949000      0.5733000
  1 1 1      15    3    5 o    7.352000      0.2305000       7.481000 0.3241000       7.224000      0.3280000      0.2572000      0.4611000
  1 1 1      15    3    6 o    1.714000      0.4082000       1.339000 0.5434000       2.089000      0.6094000     -0.7503000      0.8165000
  1 1 1      15    3    7 o    7.962000      0.1605000       7.869000 0.2260000       8.055000      0.2281000     -0.1856000      0.3211000
  1 1 1      15    3    8 o    5.151000      0.1664000       5.154000 0.2288000       5.149000      0.2417000      0.4930000E-02  0.3328000
  1 1 1      15    3    9 o    5.695000      0.1548000       5.674000 0.2197000       5.716000      0.2183000     -0.4196000E-01  0.3097000
  1 1 1      15    3   10 o    9.736000      0.1621000       9.632000 0.2275000       9.840000      0.2309000     -0.2073000      0.3242000
  1 1 1      15    3   11 o    5.684000      0.1428000       5.895000 0.1968000       5.473000      0.2071000      0.4219000      0.2857000
  1 1 1      15    3   12 o    6.754000      0.1740000       6.429000 0.2874000       7.079000      0.1962000     -0.6497000      0.3480000
  1 1 1      15    3   13 o    2.043000      0.2440000       1.736000 0.3742000       2.349000      0.3133000     -0.6135000      0.4880000
  1 1 1      15    3   14 o    10.92000      0.1639000       10.85000 0.2342000       11.00000      0.2294000     -0.1506000      0.3279000
  1 1 1      15    3   15 o    2.413000      0.2541000       1.996000 0.4628000       2.830000      0.2101000     -0.8345000      0.5082000
  1 1 1      15    3   31 o    6.153000      0.1450000       6.487000 0.1862000       5.820000      0.2223000      0.6672000      0.2900000
  1 1 1      15    3   32 o    2.396000      0.4514000                  ?       ?   2.396000      0.4514000                  ?              ?
  1 1 1      15    3   33 o    5.771000      0.1675000       6.142000 0.2230000       5.399000      0.2499000      0.7427000      0.3350000
  1 1 1      15    3   34 o    5.530000      0.1818000       5.920000 0.2333000       5.140000      0.2789000      0.7796000      0.3637000
  1 1 1      15    4    0 o    7.991000      0.1830000       7.947000 0.2583000       8.034000      0.2594000     -0.8732000E-01  0.3660000
  1 1 1      15    4    1 o    9.611000      0.1843000       9.615000 0.2599000       9.608000      0.2614000      0.6394000E-02  0.3686000
  1 1 1      15    4    2 o    3.264000      0.5868000       3.264000 0.5868000                  ?              ?              ?              ?
  1 1 1      15    4    3 o    9.843000      0.1779000       9.482000 0.2466000       10.20000      0.2564000     -0.7208000      0.3557000
  1 1 1      15    4    4 o    6.876000      0.2440000                  ?       ?   6.876000      0.2440000                  ?              ?
  1 1 1      15    4    5 o    5.919000      0.2405000       5.581000 0.3445000       6.258000      0.3358000     -0.6762000      0.4811000
  1 1 1      15    4    6 o    7.834000      0.2274000       7.973000 0.3180000       7.695000      0.3253000      0.2779000      0.4549000
  1 1 1      15    4    7 o    4.136000      0.1911000       4.027000 0.2755000       4.245000      0.2650000     -0.2183000      0.3823000
  1 1 1      15    4    8 o    10.62000      0.1748000       10.62000 0.2464000       10.62000      0.2479000      0.5597000E-02  0.3495000
  1 1 1      15    4    9 o    7.007000      0.1513000       6.953000 0.2122000       7.062000      0.2157000     -0.1092000      0.3026000
  1 1 1      15    4   10 o    11.69000      0.1803000       11.75000 0.2554000       11.62000      0.2547000      0.1277000      0.3607000
  1 1 1      15    4   11 o    5.650000      0.1439000       5.594000 0.2020000       5.706000      0.2050000     -0.1121000      0.2878000
  1 1 1      15    4   12 o    7.028000      0.1726000       6.903000 0.2829000       7.154000      0.1977000     -0.2508000      0.3451000
  1 1 1      15    4   13 o    11.54000      0.1720000       11.70000 0.2466000       11.37000      0.2400000      0.3302000      0.3441000
  1 1 1      15    4   14 o    5.985000      0.1223000       6.049000 0.1727000       5.921000      0.1731000      0.1281000      0.2445000
  1 1 1      15    4   15 o    7.518000      0.1492000       7.385000 0.2412000       7.652000      0.1758000     -0.2673000      0.2984000
  1 1 1      15    4   30 o    7.646000      0.1457000       7.705000 0.1934000       7.586000      0.2179000      0.1187000      0.2913000
  1 1 1      15    4   31 o    10.50000      0.1686000       10.70000 0.2324000       10.30000      0.2445000      0.3980000      0.3373000
  1 1 1      15    4   32 o    5.925000      0.1623000       5.991000 0.2200000       5.858000      0.2388000      0.1333000      0.3247000
  1 1 1      15    4   33 o    6.951000      0.1646000       7.005000 0.2322000       6.897000      0.2335000      0.1082000      0.3293000
  1 1 1      15    4   34 o    3.561000      0.2636000       3.826000 0.3261000       3.295000      0.4143000      0.5314000      0.5272000
  1 1 1      15    4   35 o    1.557000      0.6419000                  ?       ?   1.557000      0.6419000                  ?              ?
  1 1 1      15    5    0 o    7.219000      0.1859000       6.969000 0.2643000       7.470000      0.2615000     -0.5008000      0.3718000
  1 1 1      15    5    1 f    12.99000      0.2099000       12.79000 0.2936000       13.19000      0.2999000     -0.3979000      0.4197000
  1 1 1      15    5    2 o    4.018000      0.4724000       4.018000 0.4724000                  ?              ?              ?              ?
  1 1 1      15    5    3 f    5.499000      0.1871000       5.443000 0.2598000       5.554000      0.2694000     -0.1111000      0.3743000
  1 1 1      15    5    4 o    12.81000      0.2888000                  ?       ?   12.81000      0.2888000                  ?              ?
  1 1 1      15    5    5 o    14.02000      0.3015000       13.87000 0.4219000       14.16000      0.4308000     -0.2922000      0.6030000
  1 1 1      15    5    6 o    18.76000      0.3276000       18.87000 0.3812000       18.66000      0.5328000      0.2154000      0.6551000
  1 1 1      15    5    7 o    16.97000      0.2444000       17.00000 0.3468000       16.93000      0.3445000      0.7459000E-01  0.4888000
  1 1 1      15    5    8 f    11.51000      0.1844000       11.30000 0.2587000       11.71000      0.2629000     -0.4094000      0.3689000
  1 1 1      15    5    9 o    6.001000      0.1571000       6.016000 0.2208000       5.987000      0.2234000      0.2889000E-01  0.3141000
  1 1 1      15    5   10 o    11.18000      0.1768000       11.22000 0.2517000       11.13000      0.2483000      0.9384000E-01  0.3536000
  1 1 1      15    5   11 o    9.669000      0.1597000       9.453000 0.2236000       9.886000      0.2280000     -0.4330000      0.3194000
  1 1 1      15    5   12 o    4.508000      0.1529000       4.457000 0.2221000       4.558000      0.2104000     -0.1010000      0.3059000
  1 1 1      15    5   13 o    5.865000      0.1342000       5.981000 0.1904000       5.748000      0.1893000      0.2333000      0.2685000
  1 1 1      15    5   14 f    11.36000      0.1671000       11.49000 0.2394000       11.23000      0.2332000      0.2643000      0.3342000
  1 1 1      15    5   15 o    4.688000      0.1178000       4.524000 0.1713000       4.852000      0.1616000     -0.3281000      0.2355000
  1 1 1      15    5   16 o    3.339000      0.1505000       3.378000 0.2644000       3.300000      0.1440000      0.7747000E-01  0.3011000
  1 1 1      15    5   28 o    4.038000      0.3506000       4.477000 0.2968000       3.599000      0.6353000      0.8782000      0.7012000
  1 1 1      15    5   29 o    6.111000      0.1764000       6.141000 0.2464000       6.081000      0.2525000      0.6021000E-01  0.3528000
  1 1 1      15    5   30 o    8.088000      0.1995000       7.748000 0.3248000       8.429000      0.2318000     -0.6810000      0.3991000
  1 1 1      15    5   31 o    4.860000      0.2012000       4.823000 0.2453000       4.898000      0.3189000     -0.7499000E-01  0.4023000
  1 1 1      15    5   32 o    5.023000      0.2012000       5.329000 0.2539000       4.718000      0.3121000      0.6116000      0.4023000
  1 1 1      15    5   33 o    6.625000      0.2326000       6.269000 0.3927000       6.981000      0.2494000     -0.7123000      0.4652000
  1 1 1      15    5   34 o    4.317000      0.2356000       4.674000 0.3071000       3.960000      0.3574000      0.7142000      0.4712000
  1 1 1      15    5   35 o    4.851000      0.2788000       4.616000 0.3246000       5.086000      0.4534000     -0.4692000      0.5576000
  1 1 1      15    6    0 o    5.828000      0.1990000       5.638000 0.2838000       6.018000      0.2790000     -0.3805000      0.3980000
  1 1 1      15    6    1 o    10.56000      0.1913000       10.76000 0.2713000       10.35000      0.2699000      0.4065000      0.3826000
  1 1 1      15    6    2 o    1.906000      0.4784000       1.861000 0.6806000       1.951000      0.6725000     -0.8941000E-01  0.9568000
  1 1 1      15    6    3 o    6.196000      0.2229000       6.463000 0.3719000       5.929000      0.2459000      0.5344000      0.4459000
  1 1 1      15    6    4 f    14.94000      0.2263000       14.92000 0.3201000       14.96000      0.3198000     -0.4050000E-01  0.4525000
  1 1 1      15    6    5 o    6.836000      0.2429000       7.063000 0.3309000       6.609000      0.3557000      0.4540000      0.4858000
  1 1 1      15    6    6 o    16.20000      0.3361000       16.51000 0.4805000       15.89000      0.4699000      0.6169000      0.6721000
  1 1 1      15    6    7 o    10.03000      0.1734000       9.994000 0.2446000       10.07000      0.2457000     -0.7571000E-01  0.3467000
  1 1 1      15    6    8 o    12.01000      0.1896000       12.00000 0.2676000       12.02000      0.2687000     -0.2748000E-01  0.3793000
  1 1 1      15    6    9 f    2.925000      0.2498000       3.318000 0.3109000       2.531000      0.3911000      0.7871000      0.4996000
  1 1 1      15    6   10 o    13.40000      0.1994000       13.41000 0.2817000       13.40000      0.2822000      0.1208000E-01  0.3987000
  1 1 1      15    6   11 o    5.577000      0.1496000       5.607000 0.2105000       5.547000      0.2127000      0.5948000E-01  0.2992000
  1 1 1      15    6   12 o    12.73000      0.1880000       12.66000 0.2644000       12.80000      0.2674000     -0.1461000      0.3761000
  1 1 1      15    6   13 o    3.950000      0.1533000       4.057000 0.2207000       3.843000      0.2130000      0.2141000      0.3067000
  1 1 1      15    6   14 o    8.998000      0.1431000       9.055000 0.2045000       8.942000      0.2004000      0.1130000      0.2863000
  1 1 1      15    6   15 o    9.731000      0.1474000       9.854000 0.2097000       9.609000      0.2072000      0.2444000      0.2948000
  1 1 1      15    6   16 o    9.151000      0.1370000       9.074000 0.1911000       9.228000      0.1965000     -0.1537000      0.2741000
  1 1 1      15    6   17 o    9.159000      0.1877000       9.071000 0.2828000       9.248000      0.2470000     -0.1768000      0.3755000
  1 1 1      15    6   18 o    1.827000      0.3052000       1.563000 0.4844000       2.092000      0.3715000     -0.5290000      0.6104000
  1 1 1      15    6   26 o    4.673000      0.1645000       4.628000 0.2572000       4.718000      0.2051000     -0.9030000E-01  0.3290000
  1 1 1      15    6   27 o    4.191000      0.3153000       3.876000 0.3499000       4.507000      0.5245000     -0.6315000      0.6305000
  1 1 1      15    6   28 f    1.749000      0.4141000       2.230000 0.5946000       1.267000      0.5764000      0.9629000      0.8281000
  1 1 1      15    6   29 f    2.684000      0.3955000       2.703000 0.5548000       2.666000      0.5639000      0.3731000E-01  0.7910000
  1 1 1      15    6   30 o    4.789000      0.2278000       4.826000 0.3093000       4.751000      0.3344000      0.7533000E-01  0.4555000
  1 1 1      15    6   32 o    1.484000      0.4212000       1.469000 0.5719000       1.499000      0.6185000     -0.2941000E-01  0.8424000
  1 1 1      15    6   33 o    2.157000      0.4311000       1.868000 0.6220000       2.446000      0.5971000     -0.5787000      0.8622000
  1 1 1      15    6   34 o    2.763000      0.3901000       3.393000 0.4412000       2.132000      0.6436000       1.261000      0.7803000
  1 1 1      15    6   35 o    2.985000      0.3883000       2.872000 0.5735000       3.097000      0.5236000     -0.2248000      0.7766000
  1 1 1      15    7    0 o    6.044000      0.1957000       5.973000 0.2758000       6.114000      0.2776000     -0.1413000      0.3913000
  1 1 1      15    7    1 o    11.23000      0.1965000       11.19000 0.2766000       11.26000      0.2791000     -0.6824000E-01  0.3930000
  1 1 1      15    7    2 o    6.404000      0.2627000       6.100000 0.3796000       6.707000      0.3632000     -0.6068000      0.5254000
  1 1 1      15    7    3 o    8.166000      0.2497000       8.143000 0.3574000       8.190000      0.3487000     -0.4752000E-01  0.4993000
  1 1 1      15    7    4 o    2.230000      0.3683000       1.909000 0.5687000       2.551000      0.4679000     -0.6423000      0.7365000
  1 1 1      15    7    5 o    6.341000      0.1815000       5.972000 0.2651000       6.710000      0.2480000     -0.7382000      0.3631000
  1 1 1      15    7    6 o    10.20000      0.2540000       9.985000 0.3530000       10.41000      0.3653000     -0.4295000      0.5080000
  1 1 1      15    7    7 o    1.223000      0.3545000       1.384000 0.5271000       1.062000      0.4741000      0.3220000      0.7089000
  1 1 1      15    7    8 o    13.40000      0.2041000       13.28000 0.2857000       13.53000      0.2915000     -0.2404000      0.4081000
  1 1 1      15    7    9 o    9.310000      0.1645000       9.199000 0.2299000       9.421000      0.2353000     -0.2218000      0.3290000
  1 1 1      15    7   10 o    4.820000      0.1674000       4.979000 0.2311000       4.662000      0.2422000      0.3174000      0.3348000
  1 1 1      15    7   11 o    8.345000      0.1518000       8.185000 0.2111000       8.505000      0.2182000     -0.3195000      0.3035000
  1 1 1      15    7   12 o    9.962000      0.1601000       9.739000 0.2234000       10.19000      0.2295000     -0.4458000      0.3203000
  1 1 1      15    7   13 o    7.984000      0.1400000       7.919000 0.1969000       8.049000      0.1989000     -0.1296000      0.2799000
  1 1 1      15    7   14 o    9.440000      0.1490000       9.402000 0.2088000       9.477000      0.2127000     -0.7508000E-01  0.2980000
  1 1 1      15    7   15 o    12.32000      0.1761000       12.51000 0.2514000       12.13000      0.2465000      0.3791000      0.3521000
  1 1 1      15    7   16 o    8.484000      0.1368000       8.395000 0.1868000       8.573000      0.2000000     -0.1783000      0.2737000
  1 1 1      15    7   17 o    14.16000      0.2477000       14.28000 0.2897000       14.04000      0.4017000      0.2393000      0.4953000
  1 1 1      15    7   18 o    4.207000      0.1706000       3.993000 0.2192000       4.421000      0.2615000     -0.4280000      0.3412000
  1 1 1      15    7   19 o    5.755000      0.1161000       5.581000 0.1614000       5.929000      0.1670000     -0.3481000      0.2323000
  1 1 1      15    7   20 o    10.48000      0.1521000       10.47000 0.2138000       10.48000      0.2163000     -0.1132000E-01  0.3042000
  1 1 1      15    7   21 o    5.045000      0.1164000       5.121000 0.1612000       4.969000      0.1678000      0.1521000      0.2327000
  1 1 1      15    7   22 o    19.10000      0.2609000       19.05000 0.3681000       19.16000      0.3699000     -0.1021000      0.5218000
  1 1 1      15    7   23 o    5.990000      0.1181000       6.246000 0.1687000       5.734000      0.1654000      0.5124000      0.2362000
  1 1 1      15    7   24 o    10.11000      0.1509000       9.963000 0.2093000       10.26000      0.2174000     -0.2934000      0.3018000
  1 1 1      15    7   25 o    1.245000      0.3229000       1.412000 0.4701000       1.077000      0.4429000      0.3346000      0.6459000
  1 1 1      15    7   26 o    5.567000      0.1870000       5.315000 0.2851000       5.820000      0.2423000     -0.5048000      0.3741000
  1 1 1      15    7   27 f    1.314000      0.3991000       1.299000 0.5522000       1.329000      0.5763000     -0.3043000E-01  0.7981000
  1 1 1      15    7   28 o    4.122000      0.3029000       3.343000 0.4681000       4.900000      0.3845000      -1.557000      0.6058000
  1 1 1      15    7   29 o    4.616000      0.2757000       4.333000 0.4060000       4.899000      0.3733000     -0.5662000      0.5515000
  1 1 1      15    7   30 o    5.451000      0.2428000       5.285000 0.3469000       5.617000      0.3397000     -0.3313000      0.4855000
  1 1 1      15    7   31 o    2.027000      0.6471000       2.027000 0.6471000                  ?              ?              ?              ?
  1 1 1      15    7   32 o    2.644000      0.4221000       2.244000 0.6304000       3.044000      0.5613000     -0.8001000      0.8441000
  1 1 1      15    7   33 f    1.589000      0.6517000                  ?       ?   1.589000      0.6517000                  ?              ?
  1 1 1      15    7   34 o    2.541000      0.4493000       2.634000 0.6193000       2.448000      0.6511000      0.1851000      0.8986000
  1 1 1      15    7   35 o    3.139000      0.5361000       2.854000 0.7830000       3.423000      0.7326000     -0.5695000       1.072000
  1 1 1      15    8    0 o    6.774000      0.2704000       6.651000 0.3972000       6.897000      0.3670000     -0.2468000      0.5408000
  1 1 1      15    8    1 o    6.534000      0.1924000       6.457000 0.2720000       6.611000      0.2721000     -0.1547000      0.3847000
  1 1 1      15    8    2 o    6.710000      0.1906000       6.704000 0.2719000       6.717000      0.2671000     -0.1302000E-01  0.3812000
  1 1 1      15    8    3 o    4.872000      0.4110000       4.872000 0.4110000                  ?              ?              ?              ?
  1 1 1      15    8    4 o    20.27000      0.2886000       20.16000 0.4053000       20.37000      0.4110000     -0.2088000      0.5772000
  1 1 1      15    8    5 o    12.31000      0.2821000                  ?       ?   12.31000      0.2821000                  ?              ?
  1 1 1      15    8    6 o    17.57000      0.3601000       18.05000 0.5188000       17.09000      0.4997000      0.9613000      0.7203000
  1 1 1      15    8    7 o    7.888000      0.2352000       7.688000 0.3273000       8.087000      0.3378000     -0.3983000      0.4704000
  1 1 1      15    8    8 o    10.96000      0.1802000       11.05000 0.2563000       10.86000      0.2533000      0.1899000      0.3603000
  1 1 1      15    8    9 o    10.60000      0.1757000       10.56000 0.2463000       10.64000      0.2507000     -0.7351000E-01  0.3515000
  1 1 1      15    8   10 o    5.260000      0.1643000       5.071000 0.2404000       5.449000      0.2241000     -0.3777000      0.3287000
  1 1 1      15    8   11 f    11.77000      0.1811000       11.76000 0.2549000       11.79000      0.2573000     -0.3412000E-01  0.3622000
  1 1 1      15    8   12 o    10.19000      0.1621000       10.06000 0.2265000       10.32000      0.2319000     -0.2578000      0.3241000
  1 1 1      15    8   13 o    5.352000      0.1362000       5.445000 0.1948000       5.259000      0.1905000      0.1859000      0.2725000
  1 1 1      15    8   14 o    4.246000      0.1328000       4.347000 0.1920000       4.146000      0.1836000      0.2013000      0.2657000
  1 1 1      15    8   15 o    11.67000      0.1692000       11.72000 0.2388000       11.63000      0.2398000      0.9639000E-01  0.3384000
  1 1 1      15    8   16 o    2.636000      0.2146000       2.721000 0.2387000       2.551000      0.3567000      0.1705000      0.4292000
  1 1 1      15    8   17 o    3.359000      0.2248000       3.157000 0.2928000       3.562000      0.3411000     -0.4055000      0.4496000
  1 1 1      15    8   18 o    1.557000      0.3601000       1.529000 0.4684000       1.584000      0.5471000     -0.5434000E-01  0.7202000
  1 1 1      15    8   19 o    3.957000      0.1463000       3.814000 0.1860000       4.100000      0.2257000     -0.2861000      0.2925000
  1 1 1      15    8   20 o    5.005000      0.1407000       4.783000 0.2196000       5.227000      0.1760000     -0.4439000      0.2814000
  1 1 1      15    8   21 o    6.817000      0.1213000       7.007000 0.1696000       6.626000      0.1735000      0.3812000      0.2426000
  1 1 1      15    8   22 o    11.97000      0.1721000       11.94000 0.2429000       12.01000      0.2438000     -0.7105000E-01  0.3442000
  1 1 1      15    8   23 o    6.495000      0.1449000       6.775000 0.2267000       6.215000      0.1804000      0.5596000      0.2898000
  1 1 1      15    8   24 o    20.58000      0.2827000       20.55000 0.4011000       20.60000      0.3986000     -0.5090000E-01  0.5654000
  1 1 1      15    8   25 o    4.159000      0.2176000       3.998000 0.3646000       4.320000      0.2376000     -0.3213000      0.4352000
  1 1 1      15    8   26 o    1.912000      0.4079000       2.066000 0.5590000       1.757000      0.5943000      0.3092000      0.8159000
  1 1 1      15    8   27 o    4.473000      0.2515000       4.626000 0.3409000       4.319000      0.3699000      0.3066000      0.5030000
  1 1 1      15    8   28 o    8.480000      0.2280000       8.415000 0.3391000       8.545000      0.3050000     -0.1293000      0.4560000
  1 1 1      15    8   29 o    2.373000      0.4738000       2.091000 0.6906000       2.655000      0.6487000     -0.5635000      0.9475000
  1 1 1      15    8   30 o    3.766000      0.3376000       3.567000 0.4865000       3.966000      0.4681000     -0.3989000      0.6751000
  1 1 1      15    8   31 o    4.333000      0.2969000       4.072000 0.4339000       4.593000      0.4054000     -0.5206000      0.5938000
  1 1 1      15    8   32 o    3.519000      0.3590000       3.730000 0.4525000       3.307000      0.5574000      0.4230000      0.7180000
  1 1 1      15    8   33 o    4.082000      0.6521000                  ?       ?   4.082000      0.6521000                  ?              ?
  1 1 1      15    8   34 o    2.248000      0.5921000       1.873000 0.8042000       2.623000      0.8692000     -0.7500000       1.184000
  1 1 1      15    8   35 o    1.422000      0.4416000       1.640000 0.6789000       1.205000      0.5649000      0.4355000      0.8832000
  1 1 1      15    9    0 o    8.200000      0.1889000       8.432000 0.2648000       7.967000      0.2694000      0.4655000      0.3777000
  1 1 1      15    9    1 o    9.479000      0.1897000       9.472000 0.2649000       9.486000      0.2715000     -0.1429000E-01  0.3793000
  1 1 1      15    9    2 o    9.986000      0.1891000       9.862000 0.2647000       10.11000      0.2701000     -0.2481000      0.3782000
  1 1 1      15    9    3 o    15.58000      0.4732000       15.58000 0.4732000                  ?              ?              ?              ?
  1 1 1      15    9    4 o    6.376000      0.2542000       6.712000 0.3651000       6.039000      0.3538000      0.6730000      0.5084000
  1 1 1      15    9    5 o    10.09000      0.2572000                  ?       ?   10.09000      0.2572000                  ?              ?
  1 1 1      15    9    6 o    16.64000      0.2442000       16.65000 0.3464000       16.64000      0.3443000      0.5283000E-02  0.4884000
  1 1 1      15    9    7 o    10.37000      0.2587000       10.54000 0.3637000       10.20000      0.3681000      0.3424000      0.5174000
  1 1 1      15    9    8 o    15.56000      0.3261000       15.93000 0.4666000       15.19000      0.4557000      0.7387000      0.6522000
  1 1 1      15    9    9 o    4.308000      0.1892000       4.300000 0.2762000       4.316000      0.2588000     -0.1614000E-01  0.3785000
  1 1 1      15    9   10 o    1.030000      0.3183000       1.001000 0.4491000       1.058000      0.4510000     -0.5762000E-01  0.6365000
  1 1 1      15    9   11 o    6.210000      0.1483000       6.104000 0.2103000       6.316000      0.2090000     -0.2119000      0.2965000
  1 1 1      15    9   12 o    18.58000      0.2586000       18.54000 0.3643000       18.62000      0.3672000     -0.7146000E-01  0.5172000
  1 1 1      15    9   13 o    9.348000      0.1515000       9.333000 0.2114000       9.364000      0.2170000     -0.3057000E-01  0.3030000
  1 1 1      15    9   14 o    1.374000      0.2915000       1.524000 0.4154000       1.224000      0.4091000      0.3002000      0.5830000
  1 1 1      15    9   15 o    1.595000      0.2742000       1.543000 0.3753000       1.646000      0.3999000     -0.1035000      0.5484000
  1 1 1      15    9   16 o    9.197000      0.1887000       9.387000 0.2121000       9.007000      0.3120000      0.3798000      0.3773000
  1 1 1      15    9   17 o    6.786000      0.1875000       6.518000 0.2545000       7.054000      0.2756000     -0.5354000      0.3751000
  1 1 1      15    9   18 o    7.244000      0.1683000       7.326000 0.2195000       7.162000      0.2552000      0.1642000      0.3366000
  1 1 1      15    9   19 f    4.207000      0.1630000       4.131000 0.2111000       4.284000      0.2485000     -0.1530000      0.3261000
  1 1 1      15    9   20 o    11.97000      0.1724000       11.79000 0.2393000       12.15000      0.2482000     -0.3611000      0.3447000
  1 1 1      15    9   21 o    13.90000      0.1949000       13.82000 0.2742000       13.98000      0.2772000     -0.1609000      0.3899000
  1 1 1      15    9   22 o    11.58000      0.1690000       11.76000 0.2426000       11.40000      0.2352000      0.3563000      0.3379000
  1 1 1      15    9   23 o    12.69000      0.1834000       12.58000 0.2585000       12.80000      0.2602000     -0.2175000      0.3667000
  1 1 1      15    9   24 o    13.18000      0.1942000       13.12000 0.2775000       13.24000      0.2717000     -0.1232000      0.3884000
  1 1 1      15    9   25 o    9.233000      0.1843000       9.311000 0.2806000       9.155000      0.2389000      0.1562000      0.3685000
  1 1 1      15    9   26 o    2.418000      0.4660000       2.487000 0.7162000       2.349000      0.5963000      0.1379000      0.9319000
  1 1 1      15    9   27 o    3.435000      0.4239000       3.009000 0.7233000       3.861000      0.4423000     -0.8516000      0.8478000
  1 1 1      15    9   28 o    8.786000      0.2337000       9.129000 0.3432000       8.444000      0.3172000      0.6845000      0.4673000
  1 1 1      15    9   29 o    2.523000      0.4659000       2.155000 0.6825000       2.891000      0.6345000     -0.7367000      0.9319000
  1 1 1      15    9   30 f    2.086000      0.4761000       2.617000 0.6741000       1.555000      0.6724000       1.061000      0.9522000
  1 1 1      15    9   31 o    3.200000      0.6575000       2.916000 0.9545000       3.484000      0.9046000     -0.5676000       1.315000
  1 1 1      15    9   32 o    4.376000      0.5318000       4.422000 0.7343000       4.330000      0.7694000      0.9251000E-01   1.064000
  1 1 1      15    9   33 o    3.327000      0.4189000       2.502000 0.7028000       4.152000      0.4560000      -1.650000      0.8377000
  1 1 1      15    9   34 o    2.414000      0.4862000       2.721000 0.6656000       2.107000      0.7088000      0.6133000      0.9723000
  1 1 1      15    9   35 o    1.923000      0.5502000       2.060000 0.7980000       1.787000      0.7576000      0.2735000       1.100000
  1 1 1      15   10    0 o    5.721000      0.2089000       5.636000 0.2970000       5.806000      0.2937000     -0.1700000      0.4177000
  1 1 1      15   10    1 o    18.23000      0.2671000       18.22000 0.3778000       18.24000      0.3778000     -0.1753000E-01  0.5343000
  1 1 1      15   10    2 o    20.53000      0.2948000       20.40000 0.4140000       20.67000      0.4197000     -0.2697000      0.5895000
  1 1 1      15   10    3 o    11.39000      0.1959000       11.58000 0.2811000       11.21000      0.2728000      0.3737000      0.3918000
  1 1 1      15   10    4 o    4.521000      0.3085000       4.572000 0.4540000       4.471000      0.4179000      0.1016000      0.6171000
  1 1 1      15   10    5 o    7.097000      0.2419000       7.088000 0.3529000       7.105000      0.3309000     -0.1656000E-01  0.4837000
  1 1 1      15   10    6 o    11.85000      0.2368000       12.06000 0.3903000       11.63000      0.2683000      0.4338000      0.4736000
  1 1 1      15   10    7 o    8.925000      0.1714000       8.847000 0.2463000       9.003000      0.2383000     -0.1557000      0.3427000
  1 1 1      15   10    8 o    5.905000      0.1715000       5.668000 0.2453000       6.142000      0.2397000     -0.4740000      0.3430000
  1 1 1      15   10    9 o    5.506000      0.2555000       5.162000 0.3524000       5.851000      0.3700000     -0.6889000      0.5109000
  1 1 1      15   10   10 o    1.319000      0.4075000       1.326000 0.5649000       1.311000      0.5875000      0.1540000E-01  0.8150000
  1 1 1      15   10   11 o    1.804000      0.2974000       2.491000 0.3712000       1.117000      0.4647000       1.374000      0.5948000
  1 1 1      15   10   12 o    11.71000      0.1778000       11.64000 0.2483000       11.79000      0.2546000     -0.1566000      0.3557000
  1 1 1      15   10   13 o    5.928000      0.1323000       5.869000 0.1848000       5.986000      0.1894000     -0.1169000      0.2646000
  1 1 1      15   10   14 o    8.949000      0.1469000       9.163000 0.2040000       8.734000      0.2113000      0.4282000      0.2937000
  1 1 1      15   10   15 o    5.307000      0.1406000       5.196000 0.1821000       5.418000      0.2142000     -0.2214000      0.2811000
  1 1 1      15   10   16 o    6.448000      0.1681000       6.358000 0.2014000       6.539000      0.2692000     -0.1807000      0.3363000
  1 1 1      15   10   17 o    8.918000      0.1970000       8.639000 0.2372000       9.198000      0.3145000     -0.5590000      0.3939000
  1 1 1      15   10   18 o    3.683000      0.2131000       3.658000 0.2806000       3.708000      0.3207000     -0.4932000E-01  0.4261000
  1 1 1      15   10   19 o    10.58000      0.1997000       10.44000 0.3077000       10.72000      0.2547000     -0.2865000      0.3995000
  1 1 1      15   10   20 o    15.23000      0.2144000       14.94000 0.2964000       15.51000      0.3099000     -0.5685000      0.4288000
  1 1 1      15   10   21 o    10.54000      0.1589000       10.49000 0.2224000       10.59000      0.2271000     -0.1047000      0.3179000
  1 1 1      15   10   22 o    7.914000      0.1368000       7.883000 0.1939000       7.944000      0.1930000     -0.6125000E-01  0.2736000
  1 1 1      15   10   23 o    8.102000      0.1503000       7.882000 0.2158000       8.322000      0.2092000     -0.4397000      0.3006000
  1 1 1      15   10   24 o    5.533000      0.1691000       5.631000 0.2526000       5.436000      0.2250000      0.1950000      0.3382000
  1 1 1      15   10   25 o    14.61000      0.2282000       14.41000 0.3342000       14.82000      0.3109000     -0.4019000      0.4564000
  1 1 1      15   10   26 o    8.794000      0.2133000       8.679000 0.3315000       8.910000      0.2686000     -0.2304000      0.4267000
  1 1 1      15   10   27 o    1.621000      0.4901000       1.738000 0.7419000       1.503000      0.6407000      0.2355000      0.9802000
  1 1 1      15   10   28 o    3.886000      0.7912000       3.927000 1.128000       3.844000       1.110000      0.8291000E-01   1.582000
  1 1 1      15   10   29 o    3.017000      0.7042000       2.363000 1.000000       3.672000      0.9914000      -1.309000       1.408000
  1 1 1      15   10   30 o    2.732000      0.7551000       2.626000 1.076000       2.838000       1.060000     -0.2119000       1.510000
  1 1 1      15   10   31 o    1.401000      0.4460000       1.459000 0.6421000       1.343000      0.6192000      0.1161000      0.8920000
  1 1 1      15   10   32 o    2.809000      0.4566000       3.845000 0.5089000       1.773000      0.7583000       2.071000      0.9132000
  1 1 1      15   10   33 o    5.391000      0.3545000       5.385000 0.4965000       5.397000      0.5060000     -0.1210000E-01  0.7090000
  1 1 1      15   10   34 o    1.628000      0.5098000       1.844000 0.7831000       1.413000      0.6531000      0.4308000       1.020000
  1 1 1      15   11    0 o    9.003000      0.1938000       9.316000 0.2722000       8.690000      0.2759000      0.6264000      0.3875000
  1 1 1      15   11    1 o    13.87000      0.2224000       13.74000 0.3112000       14.01000      0.3178000     -0.2653000      0.4448000
  1 1 1      15   11    2 o    6.257000      0.1960000       6.139000 0.2788000       6.375000      0.2755000     -0.2361000      0.3920000
  1 1 1      15   11    3 o    15.58000      0.2374000       15.38000 0.3324000       15.78000      0.3390000     -0.4004000      0.4748000
  1 1 1      15   11    4 o    7.233000      0.1825000       7.185000 0.2595000       7.281000      0.2567000     -0.9566000E-01  0.3650000
  1 1 1      15   11    5 o    7.303000      0.1798000       7.233000 0.2573000       7.374000      0.2513000     -0.1413000      0.3597000
  1 1 1      15   11    6 o    11.10000      0.2613000       11.32000 0.3815000       10.88000      0.3572000      0.4316000      0.5226000
  1 1 1      15   11    7 o    18.59000      0.3729000       18.74000 0.5338000       18.45000      0.5207000      0.2981000      0.7457000
  1 1 1      15   11    8 o    11.95000      0.1913000       11.82000 0.2683000       12.08000      0.2728000     -0.2655000      0.3826000
  1 1 1      15   11    9 o    7.962000      0.1604000       7.641000 0.2255000       8.282000      0.2281000     -0.6411000      0.3208000
  1 1 1      15   11   10 o    4.731000      0.2106000       4.670000 0.3467000       4.792000      0.2392000     -0.1219000      0.4212000
  1 1 1      15   11   11 o    6.298000      0.2361000       6.301000 0.3083000       6.295000      0.3577000      0.5788000E-02  0.4722000
  1 1 1      15   11   12 o    5.212000      0.2384000       4.965000 0.3079000       5.459000      0.3640000     -0.4933000      0.4768000
  1 1 1      15   11   13 o    5.555000      0.2268000       5.270000 0.2850000       5.840000      0.3528000     -0.5704000      0.4535000
  1 1 1      15   11   14 o    3.150000      0.3116000       3.233000 0.3598000       3.068000      0.5089000      0.1652000      0.6233000
  1 1 1      15   11   15 o    5.649000      0.1458000       5.379000 0.1907000       5.919000      0.2207000     -0.5399000      0.2917000
  1 1 1      15   11   16 o    2.036000      0.3664000       1.878000 0.4643000       2.193000      0.5669000     -0.3151000      0.7327000
  1 1 1      15   11   17 o    2.642000      0.3033000       2.381000 0.4033000       2.902000      0.4532000     -0.5204000      0.6066000
  1 1 1      15   11   18 o    5.705000      0.1743000       5.938000 0.2269000       5.472000      0.2646000      0.4661000      0.3485000
  1 1 1      15   11   19 o    10.22000      0.2930000       9.681000 0.2334000       10.76000      0.5376000      -1.076000      0.5861000
  1 1 1      15   11   20 o    3.729000      0.1739000       3.532000 0.2361000       3.925000      0.2555000     -0.3933000      0.3479000
  1 1 1      15   11   21 f    10.85000      0.1653000       10.80000 0.2322000       10.91000      0.2354000     -0.1014000      0.3307000
  1 1 1      15   11   22 o    9.177000      0.2085000       9.351000 0.3031000       9.002000      0.2863000      0.3493000      0.4170000
  1 1 1      15   11   23 o    17.65000      0.3498000       17.81000 0.5038000       17.49000      0.4853000      0.3224000      0.6996000
  1 1 1      15   11   24 o    9.856000      0.2823000       10.28000 0.4550000       9.435000      0.3344000      0.8404000      0.5647000
  1 1 1      15   11   25 o    14.23000      0.3572000       14.02000 0.5580000       14.43000      0.4461000     -0.4081000      0.7144000
  1 1 1      15   11   26 o    4.848000      0.6249000       4.927000 1.035000       4.770000      0.7003000      0.1565000       1.250000
  1 1 1      15   11   27 o    2.477000      0.4757000       3.513000 0.7077000       1.440000      0.6357000       2.072000      0.9513000
  1 1 1      15   11   28 o    2.628000      0.5065000       2.224000 0.8058000       3.031000      0.6139000     -0.8074000       1.013000
  1 1 1      15   11   29 o    2.880000      0.5367000       3.178000 0.7798000       2.582000      0.7375000      0.5952000       1.073000
  1 1 1      15   11   30 o    2.120000      0.5829000       2.241000 0.9180000       1.999000      0.7185000      0.2417000       1.166000
  1 1 1      15   11   31 o    2.733000      0.6250000       2.823000 0.9425000       2.643000      0.8212000      0.1806000       1.250000
  1 1 1      15   11   32 o    4.863000      0.5211000       4.863000 0.5211000                  ?              ?              ?              ?
  1 1 1      15   11   33 o    4.032000      0.3957000       4.442000 0.4865000       3.622000      0.6241000      0.8206000      0.7913000
  1 1 1      15   11   34 o    1.486000      0.4682000       1.523000 0.6655000       1.449000      0.6587000      0.7421000E-01  0.9363000
  1 1 1      15   12    0 o    1.741000      0.4403000       1.848000 0.6252000       1.633000      0.6201000      0.2153000      0.8806000
  1 1 1      15   12    1 o    1.669000      0.4245000       1.879000 0.6229000       1.459000      0.5770000      0.4204000      0.8491000
  1 1 1      15   12    2 o    13.01000      0.2133000       12.88000 0.2992000       13.14000      0.3042000     -0.2580000      0.4267000
  1 1 1      15   12    3 o    9.932000      0.1892000       9.785000 0.2679000       10.08000      0.2672000     -0.2950000      0.3784000
  1 1 1      15   12    4 o    2.029000      0.4128000       2.029000 0.6003000       2.029000      0.5667000      0.1476000E-03  0.8255000
  1 1 1      15   12    5 o    10.34000      0.2330000       10.57000 0.3840000       10.12000      0.2638000      0.4489000      0.4659000
  1 1 1      15   12    6 o    13.99000      0.2159000       13.88000 0.3027000       14.09000      0.3080000     -0.2108000      0.4318000
  1 1 1      15   12    7 o    15.39000      0.2292000       15.30000 0.3232000       15.48000      0.3251000     -0.1831000      0.4584000
  1 1 1      15   12    8 o    3.008000      0.3418000       3.341000 0.4924000       2.676000      0.4742000      0.6645000      0.6836000
  1 1 1      15   12    9 o    10.38000      0.2375000       10.24000 0.3381000       10.51000      0.3338000     -0.2700000      0.4751000
  1 1 1      15   12   10 o    6.423000      0.2018000       6.065000 0.3003000       6.780000      0.2697000     -0.7145000      0.4036000
  1 1 1      15   12   11 o    2.229000      0.2760000       2.512000 0.3562000       1.946000      0.4218000      0.5663000      0.5521000
  1 1 1      15   12   12 o    8.620000      0.1493000       8.657000 0.2101000       8.582000      0.2122000      0.7537000E-01  0.2986000
  1 1 1      15   12   13 o    3.092000      0.1857000       2.824000 0.2664000       3.360000      0.2589000     -0.5366000      0.3715000
  1 1 1      15   12   14 o    3.813000      0.1792000       3.794000 0.2273000       3.833000      0.2771000     -0.3901000E-01  0.3584000
  1 1 1      15   12   15 o    7.029000      0.1652000       6.979000 0.2050000       7.078000      0.2591000     -0.9915000E-01  0.3304000
  1 1 1      15   12   16 o    6.740000      0.1780000       6.668000 0.2192000       6.812000      0.2805000     -0.1438000      0.3560000
  1 1 1      15   12   17 o    4.586000      0.2039000       4.319000 0.2684000       4.852000      0.3071000     -0.5329000      0.4078000
  1 1 1      15   12   18 o    11.89000      0.2472000       12.17000 0.3519000       11.61000      0.3472000      0.5635000      0.4943000
  1 1 1      15   12   19 o    8.979000      0.1707000       8.923000 0.2294000       9.036000      0.2528000     -0.1127000      0.3414000
  1 1 1      15   12   20 o    7.692000      0.1546000       7.732000 0.2085000       7.651000      0.2283000      0.8143000E-01  0.3092000
  1 1 1      15   12   21 o    15.78000      0.2698000       15.42000 0.4317000       16.15000      0.3236000     -0.7319000      0.5396000
  1 1 1      15   12   22 o    8.067000      0.1585000       7.955000 0.2271000       8.180000      0.2211000     -0.2247000      0.3170000
  1 1 1      15   12   23 o    5.581000      0.1745000       5.419000 0.2660000       5.743000      0.2259000     -0.3236000      0.3490000
  1 1 1      15   12   24 o    11.81000      0.2016000       11.88000 0.3010000       11.74000      0.2682000      0.1341000      0.4031000
  1 1 1      15   12   25 o    5.515000      0.2407000       5.508000 0.3763000       5.522000      0.3002000     -0.1397000E-01  0.4814000
  1 1 1      15   12   26 o    2.694000      0.4666000       3.042000 0.6734000       2.346000      0.6460000      0.6958000      0.9331000
  1 1 1      15   12   27 o    4.363000      0.4031000       3.916000 0.6821000       4.810000      0.4297000     -0.8941000      0.8062000
  1 1 1      15   12   29 f    4.815000      0.4147000       5.071000 0.6337000       4.558000      0.5350000      0.5135000      0.8294000
  1 1 1      15   12   30 o    2.070000      0.5644000       2.087000 0.8341000       2.053000      0.7606000      0.3407000E-01   1.129000
  1 1 1      15   12   31 o    2.649000      0.5429000       2.067000 0.8469000       3.230000      0.6796000      -1.163000       1.086000
  1 1 1      15   12   32 o    3.624000      0.7222000       3.624000 0.7222000                  ?              ?              ?              ?
  1 1 1      15   12   33 o    2.110000      0.5362000       2.113000 0.7570000       2.107000      0.7595000      0.6342000E-02   1.072000
  1 1 1      15   12   34 f    2.813000      0.7764000                  ?       ?   2.813000      0.7764000                  ?              ?
  1 1 1      15   13    0 o    8.946000      0.1984000       8.894000 0.2815000       8.998000      0.2796000     -0.1035000      0.3967000
  1 1 1      15   13    1 o    5.210000      0.3039000       5.401000 0.4401000       5.019000      0.4193000      0.3812000      0.6079000
  1 1 1      15   13    2 o    7.465000      0.1919000       7.340000 0.2720000       7.590000      0.2708000     -0.2498000      0.3838000
  1 1 1      15   13    3 o    6.258000      0.1974000       5.993000 0.2854000       6.523000      0.2729000     -0.5297000      0.3949000
  1 1 1      15   13    4 o    4.784000      0.3118000       4.784000 0.3118000                  ?              ?              ?              ?
  1 1 1      15   13    5 o    11.32000      0.1941000       11.38000 0.2756000       11.26000      0.2735000      0.1189000      0.3883000
  1 1 1      15   13    6 o    1.735000      0.5617000                  ?       ?   1.735000      0.5617000                  ?              ?
  1 1 1      15   13    7 o    10.64000      0.1839000       10.66000 0.2617000       10.61000      0.2585000      0.4487000E-01  0.3679000
  1 1 1      15   13    8 o    4.174000      0.2033000       4.107000 0.3044000       4.241000      0.2695000     -0.1341000      0.4066000
  1 1 1      15   13    9 o    5.378000      0.1668000       5.327000 0.2407000       5.429000      0.2310000     -0.1014000      0.3336000
  1 1 1      15   13   10 o    11.59000      0.1839000       11.50000 0.2564000       11.69000      0.2636000     -0.1858000      0.3678000
  1 1 1      15   13   11 o    15.17000      0.3027000       14.98000 0.4257000       15.36000      0.4304000     -0.3855000      0.6054000
  1 1 1      15   13   12 o    3.901000      0.2016000       3.937000 0.3028000       3.865000      0.2662000      0.7167000E-01  0.4032000
  1 1 1      15   13   13 f    3.693000      0.2103000       3.619000 0.3000000       3.766000      0.2947000     -0.1467000      0.4205000
  1 1 1      15   13   14 o    9.386000      0.2301000       9.410000 0.3090000       9.361000      0.3410000      0.4905000E-01  0.4601000
  1 1 1      15   13   15 o    2.973000      0.6431000       3.056000 0.6430000       2.891000       1.114000      0.1647000       1.286000
  1 1 1      15   13   16 o    9.758000      0.5385000       10.88000 0.4513000       8.634000      0.9779000       2.247000       1.077000
  1 1 1      15   13   17 o    6.243000      0.9463000       6.699000 0.7725000       5.787000       1.728000      0.9121000       1.893000
  1 1 1      15   13   18 o    8.565000      0.6838000       8.851000 0.5978000       8.280000       1.230000      0.5715000       1.368000
  1 1 1      15   13   19 o    4.025000      0.7066000       4.529000 0.6721000       3.521000       1.243000       1.008000       1.413000
  1 1 1      15   13   21 o    11.00000      0.2684000       10.84000 0.3701000       11.16000      0.3889000     -0.3176000      0.5369000
  1 1 1      15   13   22 o    5.609000      0.2569000       5.533000 0.3684000       5.685000      0.3581000     -0.1522000      0.5138000
  1 1 1      15   13   23 o    3.771000      0.3219000       3.708000 0.4842000       3.835000      0.4243000     -0.1278000      0.6438000
  1 1 1      15   13   24 o    7.049000      0.2444000       6.719000 0.3601000       7.379000      0.3306000     -0.6597000      0.4888000
  1 1 1      15   13   25 o    2.630000      0.4863000       2.394000 0.7359000       2.866000      0.6359000     -0.4726000      0.9726000
  1 1 1      15   13   26 o    7.181000      0.2582000       7.533000 0.4106000       6.829000      0.3133000      0.7034000      0.5164000
  1 1 1      15   13   27 o    9.612000      0.2634000       9.407000 0.4148000       9.817000      0.3248000     -0.4100000      0.5269000
  1 1 1      15   13   28 o    6.547000      0.3013000       6.995000 0.4640000       6.098000      0.3845000      0.8968000      0.6026000
  1 1 1      15   13   29 o    5.491000      0.3601000       5.547000 0.5562000       5.435000      0.4574000      0.1119000      0.7201000
  1 1 1      15   13   30 o    2.222000      0.5814000       2.074000 0.8462000       2.369000      0.7974000     -0.2943000       1.163000
  1 1 1      15   13   31 o    5.774000      0.3703000       5.211000 0.6200000       6.337000      0.4051000      -1.126000      0.7406000
  1 1 1      15   13   32 o    1.959000      0.5730000       2.072000 0.8325000       1.846000      0.7877000      0.2256000       1.146000
  1 1 1      15   13   33 o    3.577000      0.4889000       2.682000 0.8050000       4.471000      0.5549000      -1.789000      0.9778000
  1 1 1      15   13   34 o    2.118000      0.7770000                  ?       ?   2.118000      0.7770000                  ?              ?
  1 1 1      15   14    0 o    9.522000      0.1997000       9.382000 0.2837000       9.663000      0.2811000     -0.2810000      0.3994000
  1 1 1      15   14    1 o    3.319000      0.3127000       3.472000 0.4170000       3.165000      0.4660000      0.3065000      0.6254000
  1 1 1      15   14    2 o    3.825000      0.2825000       3.448000 0.4379000       4.202000      0.3570000     -0.7539000      0.5650000
  1 1 1      15   14    3 o    6.435000      0.1929000       6.292000 0.2715000       6.578000      0.2741000     -0.2864000      0.3858000
  1 1 1      15   14    4 o    5.014000      0.3043000       5.014000 0.3043000                  ?              ?              ?              ?
  1 1 1      15   14    5 o    10.56000      0.1883000       10.41000 0.2635000       10.71000      0.2692000     -0.3084000      0.3767000
  1 1 1      15   14    6 o    7.324000      0.2443000                  ?       ?   7.324000      0.2443000                  ?              ?
  1 1 1      15   14    7 o    7.474000      0.1716000       7.688000 0.2430000       7.259000      0.2422000      0.4282000      0.3431000
  1 1 1      15   14    8 o    4.768000      0.1845000       4.627000 0.2765000       4.908000      0.2444000     -0.2815000      0.3691000
  1 1 1      15   14    9 o    3.472000      0.2102000       3.454000 0.3105000       3.490000      0.2833000     -0.3579000E-01  0.4204000
  1 1 1      15   14   10 o    8.109000      0.1559000       7.967000 0.2159000       8.250000      0.2250000     -0.2829000      0.3119000
  1 1 1      15   14   11 o    10.76000      0.1718000       10.93000 0.2428000       10.58000      0.2431000      0.3524000      0.3436000
  1 1 1      15   14   12 o    7.750000      0.1499000       7.513000 0.2033000       7.987000      0.2203000     -0.4743000      0.2997000
  1 1 1      15   14   13 o    7.641000      0.1553000       7.502000 0.2065000       7.780000      0.2320000     -0.2786000      0.3105000
  1 1 1      15   14   14 o    15.51000      0.2254000       15.36000 0.3104000       15.65000      0.3270000     -0.2882000      0.4509000
  1 1 1      15   14   15 o    7.994000      0.2190000       7.801000 0.2911000       8.188000      0.3273000     -0.3870000      0.4380000
  1 1 1      15   14   16 o    5.787000      0.2079000       5.691000 0.2519000       5.884000      0.3309000     -0.1931000      0.4159000
  1 1 1      15   14   17 o    11.17000      0.2209000       11.41000 0.2862000       10.94000      0.3367000      0.4712000      0.4418000
  1 1 1      15   14   18 o    2.496000      0.3552000       3.400000 0.3507000       1.592000      0.6177000       1.808000      0.7104000
  1 1 1      15   14   19 o    5.140000      0.2087000       5.191000 0.2860000       5.089000      0.3039000      0.1020000      0.4173000
  1 1 1      15   14   20 o    7.448000      0.1801000       7.492000 0.2467000       7.403000      0.2626000      0.8894000E-01  0.3603000
  1 1 1      15   14   21 f    15.59000      0.2313000       15.39000 0.3217000       15.79000      0.3324000     -0.4057000      0.4626000
  1 1 1      15   14   22 o    2.782000      0.3563000       2.842000 0.5151000       2.723000      0.4924000      0.1190000      0.7125000
  1 1 1      15   14   23 o    2.285000      0.3817000       3.249000 0.5196000       1.321000      0.5593000       1.928000      0.7634000
  1 1 1      15   14   24 o    6.759000      0.2212000       6.715000 0.3384000       6.803000      0.2850000     -0.8776000E-01  0.4424000
  1 1 1      15   14   25 o    5.183000      0.2658000       5.097000 0.4121000       5.270000      0.3357000     -0.1731000      0.5315000
  1 1 1      15   14   26 o    3.127000      0.4500000       2.999000 0.7115000       3.256000      0.5510000     -0.2564000      0.8999000
  1 1 1      15   14   27 o    1.556000      0.4808000       1.529000 0.6901000       1.583000      0.6697000     -0.5450000E-01  0.9617000
  1 1 1      15   14   28 o    5.215000      0.3508000       5.465000 0.5201000       4.966000      0.4710000      0.4990000      0.7016000
  1 1 1      15   14   29 o    2.244000      0.5803000       2.843000 0.9169000       1.644000      0.7114000       1.199000       1.161000
  1 1 1      15   14   30 o    5.850000      0.3686000       5.461000 0.5882000       6.238000      0.4445000     -0.7770000      0.7373000
  1 1 1      15   14   31 o    5.310000      0.4313000       4.424000 0.7379000       6.195000      0.4466000      -1.771000      0.8625000
  1 1 1      15   14   32 o    3.477000      0.5750000       4.242000 0.7673000       2.713000      0.8567000       1.529000       1.150000
  1 1 1      15   14   33 o    1.834000      0.5453000       1.832000 0.7779000       1.836000      0.7643000     -0.3698000E-02   1.091000
  1 1 1      15   14   34 o    2.418000      0.5871000       2.515000 0.8310000       2.321000      0.8296000      0.1935000       1.174000
  1 1 1      15   15    0 o    11.37000      0.2076000       11.14000 0.2924000       11.60000      0.2947000     -0.4621000      0.4151000
  1 1 1      15   15    1 o    9.791000      0.1961000       9.804000 0.2753000       9.779000      0.2794000      0.2527000E-01  0.3922000
  1 1 1      15   15    2 o    5.440000      0.2160000       5.423000 0.2990000       5.458000      0.3118000     -0.3493000E-01  0.4320000
  1 1 1      15   15    3 o    10.20000      0.1941000       10.26000 0.2723000       10.15000      0.2766000      0.1067000      0.3882000
  1 1 1      15   15    4 o    9.332000      0.1856000       9.239000 0.2594000       9.426000      0.2654000     -0.1866000      0.3711000
  1 1 1      15   15    5 o    7.476000      0.1799000       7.726000 0.2572000       7.226000      0.2517000      0.5006000      0.3598000
  1 1 1      15   15    6 o    4.418000      0.2143000       4.325000 0.3254000       4.512000      0.2790000     -0.1870000      0.4286000
  1 1 1      15   15    7 o    1.476000      0.3810000       1.567000 0.5571000       1.385000      0.5201000      0.1819000      0.7621000
  1 1 1      15   15    8 o    3.240000      0.2329000       3.031000 0.3505000       3.449000      0.3070000     -0.4179000      0.4659000
  1 1 1      15   15    9 o    4.297000      0.1792000       4.105000 0.2558000       4.490000      0.2510000     -0.3846000      0.3584000
  1 1 1      15   15   10 o    9.610000      0.1646000       9.398000 0.2281000       9.822000      0.2373000     -0.4236000      0.3291000
  1 1 1      15   15   11 o    3.372000      0.2132000       2.768000 0.3330000       3.976000      0.2664000      -1.208000      0.4264000
  1 1 1      15   15   12 o    4.915000      0.1637000       5.138000 0.2156000       4.691000      0.2464000      0.4474000      0.3273000
  1 1 1      15   15   13 o    7.224000      0.1612000       7.054000 0.2091000       7.394000      0.2453000     -0.3407000      0.3223000
  1 1 1      15   15   14 o    10.19000      0.2167000       10.34000 0.2459000       10.05000      0.3569000      0.2869000      0.4334000
  1 1 1      15   15   15 o    9.890000      0.1989000       9.687000 0.2493000       10.09000      0.3101000     -0.4054000      0.3978000
  1 1 1      15   15   16 o    6.142000      0.2125000       6.297000 0.2765000       5.987000      0.3226000      0.3104000      0.4249000
  1 1 1      15   15   17 f    8.625000      0.2097000       8.334000 0.2764000       8.916000      0.3155000     -0.5817000      0.4195000
  1 1 1      15   15   18 o    6.327000      0.4436000       6.546000 0.8257000       6.109000      0.3248000      0.4374000      0.8873000
  1 1 1      15   15   19 o    14.74000      0.3775000       14.05000 0.3150000       15.43000      0.6862000      -1.377000      0.7550000
  1 1 1      15   15   20 o    6.326000      0.2142000       6.640000 0.2752000       6.012000      0.3283000      0.6286000      0.4283000
  1 1 1      15   15   21 o    10.05000      0.1904000       10.13000 0.2674000       9.971000      0.2712000      0.1613000      0.3809000
  1 1 1      15   15   22 o    2.706000      0.4048000       2.829000 0.5689000       2.583000      0.5759000      0.2456000      0.8095000
  1 1 1      15   15   23 o    5.232000      0.2497000       5.104000 0.3687000       5.361000      0.3369000     -0.2566000      0.4995000
  1 1 1      15   15   24 o    5.310000      0.2628000       5.132000 0.4147000       5.488000      0.3230000     -0.3558000      0.5256000
  1 1 1      15   15   25 o    7.070000      0.2436000       6.905000 0.3790000       7.235000      0.3060000     -0.3300000      0.4871000
  1 1 1      15   15   26 o    3.093000      0.4683000       2.890000 0.7296000       3.295000      0.5873000     -0.4048000      0.9366000
  1 1 1      15   15   27 o    5.263000      0.3386000       5.203000 0.5298000       5.322000      0.4216000     -0.1197000      0.6771000
  1 1 1      15   15   28 o    5.041000      0.3750000       4.644000 0.6131000       5.438000      0.4320000     -0.7936000      0.7500000
  1 1 1      15   15   29 o    4.082000      0.5066000       3.794000 0.8561000       4.371000      0.5420000     -0.5772000       1.013000
  1 1 1      15   15   30 o    7.512000      0.3153000       7.032000 0.4999000       7.992000      0.3844000     -0.9608000      0.6306000
  1 1 1      15   15   31 o    2.361000      0.5914000       1.989000 0.8585000       2.733000      0.8136000     -0.7448000       1.183000
  1 1 1      15   15   32 o    3.336000      0.5507000       2.369000 0.8958000       4.303000      0.6408000      -1.934000       1.101000
  1 1 1      15   15   33 o    2.381000      0.6141000       2.692000 0.9006000       2.071000      0.8353000      0.6215000       1.228000
  1 1 1      15   16    0 o    6.388000      0.2110000       6.155000 0.3044000       6.622000      0.2921000     -0.4674000      0.4219000
  1 1 1      15   16    1 o    11.45000      0.2050000       11.28000 0.2899000       11.62000      0.2900000     -0.3380000      0.4100000
  1 1 1      15   16    2 o    5.271000      0.2172000       5.477000 0.3065000       5.066000      0.3078000      0.4111000      0.4343000
  1 1 1      15   16    3 o    8.890000      0.1884000       8.605000 0.2639000       9.174000      0.2689000     -0.5693000      0.3767000
  1 1 1      15   16    4 o    6.519000      0.1869000       6.390000 0.2671000       6.648000      0.2613000     -0.2584000      0.3737000
  1 1 1      15   16    5 o    5.565000      0.1984000       5.857000 0.2688000       5.272000      0.2918000      0.5844000      0.3967000
  1 1 1      15   16    6 o    1.971000      0.3644000       1.524000 0.5680000       2.418000      0.4567000     -0.8937000      0.7288000
  1 1 1      15   16    7 o    9.675000      0.1770000       9.663000 0.2513000       9.688000      0.2492000     -0.2494000E-01  0.3539000
  1 1 1      15   16    8 o    5.003000      0.1775000       5.031000 0.2583000       4.975000      0.2436000      0.5642000E-01  0.3551000
  1 1 1      15   16    9 f    4.212000      0.1882000       4.093000 0.2754000       4.331000      0.2566000     -0.2385000      0.3764000
  1 1 1      15   16   10 o    3.329000      0.2163000       3.078000 0.3155000       3.581000      0.2961000     -0.5025000      0.4326000
  1 1 1      15   16   11 o    3.310000      0.2151000       3.403000 0.2685000       3.217000      0.3360000      0.1858000      0.4301000
  1 1 1      15   16   12 o    1.878000      0.3854000       1.755000 0.5276000       2.001000      0.5619000     -0.2459000      0.7708000
  1 1 1      15   16   13 o    5.686000      0.1830000       5.663000 0.2338000       5.709000      0.2815000     -0.4622000E-01  0.3659000
  1 1 1      15   16   14 o    4.103000      0.2743000       4.398000 0.2936000       3.807000      0.4635000      0.5908000      0.5486000
  1 1 1      15   16   15 o    4.395000      0.2591000       4.418000 0.3143000       4.372000      0.4120000      0.4598000E-01  0.5182000
  1 1 1      15   16   16 o    3.537000      0.3075000       3.858000 0.3464000       3.215000      0.5081000      0.6434000      0.6150000
  1 1 1      15   16   17 o    5.076000      0.2251000       4.943000 0.3045000       5.210000      0.3317000     -0.2670000      0.4503000
  1 1 1      15   16   18 o    1.581000      0.4308000       1.467000 0.5912000       1.695000      0.6267000     -0.2283000      0.8615000
  1 1 1      15   16   19 o    16.03000      0.2596000       16.11000 0.3491000       15.94000      0.3843000      0.1663000      0.5192000
  1 1 1      15   16   20 o    9.411000      0.2131000       9.560000 0.2884000       9.262000      0.3139000      0.2981000      0.4263000
  1 1 1      15   16   21 f    5.560000      0.2412000       5.663000 0.3352000       5.458000      0.3468000      0.2054000      0.4824000
  1 1 1      15   16   22 o    7.751000      0.2035000       7.942000 0.2959000       7.560000      0.2795000      0.3815000      0.4070000
  1 1 1      15   16   23 o    7.760000      0.2210000       7.193000 0.3358000       8.328000      0.2876000      -1.135000      0.4421000
  1 1 1      15   16   24 o    8.537000      0.2317000       8.438000 0.3490000       8.636000      0.3048000     -0.1981000      0.4634000
  1 1 1      15   16   25 f    6.654000      0.2509000       6.471000 0.3819000       6.837000      0.3256000     -0.3665000      0.5019000
  1 1 1      15   16   26 o    3.958000      0.3998000       4.411000 0.5580000       3.505000      0.5727000      0.9054000      0.7996000
  1 1 1      15   16   27 o    12.23000      0.2796000       12.26000 0.4406000       12.20000      0.3443000      0.6578000E-01  0.5592000
  1 1 1      15   16   28 o    5.356000      0.3692000       5.412000 0.5690000       5.301000      0.4706000      0.1111000      0.7384000
  1 1 1      15   16   29 o    2.291000      0.5913000       2.176000 0.8761000       2.406000      0.7944000     -0.2295000       1.183000
  1 1 1      15   16   30 o    3.102000      0.5960000       2.805000 0.9340000       3.400000      0.7405000     -0.5952000       1.192000
  1 1 1      15   16   31 o    5.540000      0.4113000       5.255000 0.6671000       5.824000      0.4813000     -0.5689000      0.8226000
  1 1 1      15   16   32 o    1.811000      0.5473000       1.444000 0.6988000       2.179000      0.8424000     -0.7345000       1.095000
  1 1 1      15   16   33 o    2.491000      0.9012000       2.491000 0.9012000                  ?              ?              ?              ?
  1 1 1      15   17    0 o    8.841000      0.1999000       9.169000 0.2805000       8.513000      0.2850000      0.6558000      0.3999000
  1 1 1      15   17    1 o    4.899000      0.2363000       4.625000 0.3535000       5.173000      0.3136000     -0.5486000      0.4725000
  1 1 1      15   17    2 o    8.436000      0.1888000       8.432000 0.2672000       8.439000      0.2666000     -0.6771000E-02  0.3775000
  1 1 1      15   17    3 o    8.302000      0.2119000       8.587000 0.2635000       8.016000      0.3320000      0.5707000      0.4238000
  1 1 1      15   17    4 o    11.08000      0.1942000       11.32000 0.2748000       10.85000      0.2746000      0.4713000      0.3884000
  1 1 1      15   17    5 o    3.174000      0.2643000       3.561000 0.3734000       2.787000      0.3741000      0.7740000      0.5286000
  1 1 1      15   17    6 o    4.299000      0.2090000       4.468000 0.2959000       4.131000      0.2953000      0.3366000      0.4180000
  1 1 1      15   17    7 o    10.05000      0.2170000       9.558000 0.3500000       10.54000      0.2567000     -0.9811000      0.4341000
  1 1 1      15   17    8 o    3.252000      0.2445000       2.906000 0.3916000       3.598000      0.2929000     -0.6927000      0.4890000
  1 1 1      15   17    9 o    2.023000      0.3365000       1.578000 0.5168000       2.468000      0.4310000     -0.8904000      0.6729000
  1 1 1      15   17   10 o    5.118000      0.1696000       5.048000 0.2205000       5.188000      0.2577000     -0.1400000      0.3392000
  1 1 1      15   17   11 o    10.24000      0.1763000       10.25000 0.2445000       10.23000      0.2541000      0.2086000E-01  0.3526000
  1 1 1      15   17   12 o    1.947000      0.4097000       1.949000 0.5314000       1.945000      0.6238000      0.3588000E-02  0.8195000
  1 1 1      15   17   13 f    14.43000      0.2213000       14.52000 0.3050000       14.34000      0.3207000      0.1790000      0.4426000
  1 1 1      15   17   14 o    3.476000      0.3675000       4.218000 0.3366000       2.735000      0.6533000       1.484000      0.7349000
  1 1 1      15   17   15 o    8.906000      0.2116000       9.290000 0.2698000       8.522000      0.3260000      0.7674000      0.4232000
  1 1 1      15   17   16 o    18.08000      0.2993000       18.25000 0.3896000       17.91000      0.4544000      0.3472000      0.5986000
  1 1 1      15   17   17 o    10.37000      0.2359000       10.62000 0.3433000       10.12000      0.3236000      0.4932000      0.4718000
  1 1 1      15   17   18 o    4.994000      0.2403000       5.039000 0.3363000       4.949000      0.3433000      0.9078000E-01  0.4806000
  1 1 1      15   17   19 o    7.417000      0.2137000       7.358000 0.2914000       7.476000      0.3128000     -0.1186000      0.4275000
  1 1 1      15   17   20 o    3.036000      0.4500000       3.447000 0.5741000       2.626000      0.6932000      0.8217000      0.9001000
  1 1 1      15   17   21 o    1.530000      0.4604000       1.652000 0.6737000       1.407000      0.6278000      0.2450000      0.9208000
  1 1 1      15   17   22 o    7.549000      0.2230000       7.838000 0.3212000       7.260000      0.3094000      0.5779000      0.4460000
  1 1 1      15   17   23 f    9.439000      0.2185000       9.276000 0.3235000       9.601000      0.2940000     -0.3247000      0.4371000
  1 1 1      15   17   24 o    6.620000      0.2593000       6.395000 0.3939000       6.845000      0.3375000     -0.4502000      0.5187000
  1 1 1      15   17   25 o    1.653000      0.4939000       1.790000 0.7460000       1.516000      0.6475000      0.2744000      0.9879000
  1 1 1      15   17   26 o    5.373000      0.3246000       5.276000 0.5089000       5.470000      0.4030000     -0.1936000      0.6491000
  1 1 1      15   17   27 o    4.698000      0.3955000       4.980000 0.5976000       4.417000      0.5183000      0.5630000      0.7911000
  1 1 1      15   17   28 f    2.304000      0.6054000       2.427000 0.9009000       2.180000      0.8089000      0.2470000       1.211000
  1 1 1      15   17   29 o    1.839000      0.5592000       1.799000 0.8120000       1.878000      0.7692000     -0.7886000E-01   1.118000
  1 1 1      15   17   30 o    2.617000      0.6349000       2.761000 0.9563000       2.473000      0.8354000      0.2872000       1.270000
  1 1 1      15   17   31 o    6.291000      0.3893000       5.604000 0.6296000       6.978000      0.4581000      -1.374000      0.7787000
  1 1 1      15   17   32 o    2.274000      0.6271000       2.398000 0.9308000       2.149000      0.8405000      0.2495000       1.254000
  1 1 1      15   17   33 o    2.117000      0.8716000       2.117000 0.8716000                  ?              ?              ?              ?
  1 1 1      15   18    0 o    10.30000      0.3087000       10.50000 0.4099000       10.09000      0.4618000      0.4100000      0.6175000
  1 1 1      15   18    1 o    6.145000      0.2130000       6.195000 0.3042000       6.096000      0.2981000      0.9825000E-01  0.4259000
  1 1 1      15   18    2 o    3.535000      0.2882000       3.372000 0.4328000       3.698000      0.3808000     -0.3262000      0.5765000
  1 1 1      15   18    3 o    5.289000      0.2234000       5.156000 0.3195000       5.423000      0.3122000     -0.2664000      0.4467000
  1 1 1      15   18    4 o    1.506000      0.4036000       1.716000 0.5906000       1.296000      0.5503000      0.4208000      0.8073000
  1 1 1      15   18    5 o    2.170000      0.5706000       2.170000 0.5706000                  ?              ?              ?              ?
  1 1 1      15   18    6 o    5.842000      0.1852000       5.808000 0.2673000       5.875000      0.2564000     -0.6687000E-01  0.3704000
  1 1 1      15   18    7 o    3.875000      0.3143000                  ?       ?   3.875000      0.3143000                  ?              ?
  1 1 1      15   18    8 o    5.427000      0.1788000       5.552000 0.2474000       5.302000      0.2583000      0.2504000      0.3577000
  1 1 1      15   18    9 f    8.380000      0.2284000       8.844000 0.2340000       7.916000      0.3924000      0.9283000      0.4568000
  1 1 1      15   18   10 o    3.200000      0.2537000       3.024000 0.3557000       3.377000      0.3617000     -0.3526000      0.5073000
  1 1 1      15   18   11 o    9.190000      0.2212000       8.761000 0.2327000       9.619000      0.3764000     -0.8572000      0.4425000
  1 1 1      15   18   12 o    3.918000      0.2538000       4.130000 0.3074000       3.707000      0.4039000      0.4225000      0.5076000
  1 1 1      15   18   13 o    10.44000      0.2024000       10.52000 0.2695000       10.37000      0.3021000      0.1543000      0.4048000
  1 1 1      15   18   14 o    3.639000      0.3122000       3.182000 0.4373000       4.097000      0.4457000     -0.9149000      0.6244000
  1 1 1      15   18   15 o    19.84000      0.3636000       19.56000 0.5454000       20.12000      0.4810000     -0.5639000      0.7272000
  1 1 1      15   18   16 o    13.67000      0.2596000       14.18000 0.3494000       13.17000      0.3840000       1.015000      0.5192000
  1 1 1      15   18   17 o    5.803000      0.2442000       6.522000 0.3144000       5.083000      0.3736000       1.439000      0.4883000
  1 1 1      15   18   18 o    4.132000      0.2962000       4.218000 0.3922000       4.046000      0.4441000      0.1719000      0.5924000
  1 1 1      15   18   19 o    11.11000      0.2340000       11.35000 0.3206000       10.87000      0.3408000      0.4808000      0.4679000
  1 1 1      15   18   20 o    12.44000      0.2602000       12.52000 0.3299000       12.36000      0.4025000      0.1525000      0.5204000
  1 1 1      15   18   21 o    3.907000      0.4023000       4.345000 0.5115000       3.469000      0.6210000      0.8759000      0.8045000
  1 1 1      15   18   22 o    5.201000      0.3050000       5.497000 0.4227000       4.906000      0.4397000      0.5906000      0.6099000
  1 1 1      15   18   23 o    3.195000      0.5141000       2.532000 0.8575000       3.858000      0.5674000      -1.326000       1.028000
  1 1 1      15   18   24 o    7.829000      0.2689000       7.754000 0.4223000       7.903000      0.3329000     -0.1489000      0.5377000
  1 1 1      15   18   25 o    2.992000      0.5212000       2.781000 0.8001000       3.202000      0.6682000     -0.4209000       1.042000
  1 1 1      15   18   26 o    2.406000      0.5555000       2.451000 0.8228000       2.361000      0.7465000      0.8998000E-01   1.111000
  1 1 1      15   18   27 o    3.632000      0.5426000       3.104000 0.8907000       4.159000      0.6198000      -1.055000       1.085000
  1 1 1      15   18   28 o    3.546000      0.5562000       3.424000 0.8715000       3.668000      0.6914000     -0.2438000       1.112000
  1 1 1      15   18   29 o    3.126000      0.6267000       3.525000 0.9376000       2.727000      0.8319000      0.7979000       1.253000
  1 1 1      15   18   30 o    4.888000      0.5347000       3.765000 0.9402000       6.010000      0.5094000      -2.245000       1.069000
  1 1 1      15   18   31 o    4.418000      0.7841000       4.660000 0.8166000       4.177000       1.339000      0.4828000       1.568000
  1 1 1      15   18   32 o    4.054000      0.9922000       4.177000 1.446000       3.932000       1.359000      0.2447000       1.984000
  1 1 1      15   19    0 o    3.922000      0.2988000       3.681000 0.4491000       4.162000      0.3942000     -0.4811000      0.5976000
  1 1 1      15   19    1 o    5.851000      0.3440000       5.549000 0.4588000       6.153000      0.5128000     -0.6040000      0.6881000
  1 1 1      15   19    2 o    5.847000      0.3579000       6.162000 0.4213000       5.532000      0.5788000      0.6300000      0.7159000
  1 1 1      15   19    3 o    3.319000      0.5271000       3.158000 0.6781000       3.480000      0.8073000     -0.3218000       1.054000
  1 1 1      15   19    4 o    12.91000      0.2107000       12.80000 0.2946000       13.03000      0.3013000     -0.2387000      0.4214000
  1 1 1      15   19    5 o    3.705000      0.3710000       3.705000 0.3710000                  ?              ?              ?              ?
  1 1 1      15   19    6 o    7.190000      0.1790000       7.280000 0.2498000       7.101000      0.2563000      0.1791000      0.3579000
  1 1 1      15   19    7 o    9.026000      0.2502000                  ?       ?   9.026000      0.2502000                  ?              ?
  1 1 1      15   19    8 o    7.720000      0.1704000       7.516000 0.2386000       7.924000      0.2432000     -0.4076000      0.3407000
  1 1 1      15   19    9 o    5.128000      0.1967000       4.894000 0.2733000       5.363000      0.2831000     -0.4688000      0.3935000
  1 1 1      15   19   10 o    1.898000      0.4097000       1.786000 0.5450000       2.010000      0.6117000     -0.2235000      0.8193000
  1 1 1      15   19   11 o    5.773000      0.2060000       5.234000 0.2798000       6.312000      0.3025000      -1.078000      0.4121000
  1 1 1      15   19   12 o    3.037000      0.3543000       3.026000 0.4533000       3.047000      0.5447000     -0.2124000E-01  0.7086000
  1 1 1      15   19   13 f    3.320000      0.3672000       3.464000 0.4050000       3.177000      0.6127000      0.2869000      0.7345000
  1 1 1      15   19   14 o    3.647000      0.3285000       3.462000 0.4343000       3.831000      0.4929000     -0.3683000      0.6569000
  1 1 1      15   19   15 o    19.52000      0.3202000       19.50000 0.4135000       19.54000      0.4889000     -0.4253000E-01  0.6403000
  1 1 1      15   19   16 o    9.673000      0.2330000       10.17000 0.3152000       9.178000      0.3431000      0.9882000      0.4659000
  1 1 1      15   19   17 o    11.69000      0.2475000       11.89000 0.3326000       11.49000      0.3667000      0.3979000      0.4950000
  1 1 1      15   19   18 o    3.028000      0.4390000       3.568000 0.4974000       2.487000      0.7236000       1.081000      0.8781000
  1 1 1      15   19   19 o    16.89000      0.2875000       16.84000 0.3868000       16.94000      0.4256000     -0.9756000E-01  0.5751000
  1 1 1      15   19   20 o    6.880000      0.2778000       6.964000 0.3932000       6.797000      0.3925000      0.1676000      0.5556000
  1 1 1      15   19   21 o    6.938000      0.2711000       7.353000 0.3770000       6.523000      0.3898000      0.8299000      0.5423000
  1 1 1      15   19   22 o    9.319000      0.2389000       9.490000 0.3439000       9.147000      0.3317000      0.3432000      0.4778000
  1 1 1      15   19   23 o    4.017000      0.4419000       4.434000 0.5934000       3.599000      0.6549000      0.8349000      0.8837000
  1 1 1      15   19   24 o    7.313000      0.2753000       7.118000 0.4048000       7.508000      0.3731000     -0.3904000      0.5505000
  1 1 1      15   19   25 o    6.855000      0.2941000       6.633000 0.4461000       7.076000      0.3834000     -0.4428000      0.5882000
  1 1 1      15   19   26 f    3.253000      0.5152000       2.322000 0.8611000       4.183000      0.5659000      -1.862000       1.030000
  1 1 1      15   19   27 f    3.996000       1.018000       4.559000 1.590000       3.433000       1.273000       1.127000       2.037000
  1 1 1      15   19   28 o    4.289000      0.9729000       3.321000 1.455000       5.257000       1.292000      -1.936000       1.946000
  1 1 1      15   19   29 o    3.783000      0.9649000       2.953000 1.358000       4.613000       1.371000      -1.660000       1.930000
  1 1 1      15   19   30 o    5.520000      0.9239000       3.803000 1.536000       7.238000       1.028000      -3.435000       1.848000
  1 1 1      15   19   31 o    2.315000      0.6525000       2.524000 0.9794000       2.105000      0.8624000      0.4191000       1.305000
  1 1 1      15   19   32 o    2.158000      0.6332000       2.073000 0.8924000       2.243000      0.8984000     -0.1694000       1.266000
  1 1 1      15   20    0 o    4.815000      0.2416000       5.190000 0.3338000       4.441000      0.3495000      0.7491000      0.4833000
  1 1 1      15   20    1 o    3.650000      0.2962000       3.514000 0.4464000       3.786000      0.3894000     -0.2715000      0.5924000
  1 1 1      15   20    2 o    5.438000      0.2177000       5.449000 0.3067000       5.427000      0.3091000      0.2220000E-01  0.4354000
  1 1 1      15   20    3 f    8.151000      0.1887000       8.167000 0.2648000       8.135000      0.2688000      0.3191000E-01  0.3773000
  1 1 1      15   20    4 o    2.547000      0.3286000       2.384000 0.4617000       2.709000      0.4679000     -0.3248000      0.6573000
  1 1 1      15   20    5 o    3.547000      0.4854000       4.173000 0.4951000       2.921000      0.8350000       1.252000      0.9708000
  1 1 1      15   20    6 o    5.505000      0.3214000       5.781000 0.3928000       5.228000      0.5088000      0.5536000      0.6428000
  1 1 1      15   20    7 o    6.872000      0.2803000       6.817000 0.3747000       6.928000      0.4170000     -0.1111000      0.5606000
  1 1 1      15   20    8 o    6.146000      0.3022000       5.874000 0.3901000       6.417000      0.4616000     -0.5426000      0.6043000
  1 1 1      15   20    9 o    6.635000      0.2913000       6.724000 0.3572000       6.546000      0.4602000      0.1782000      0.5826000
  1 1 1      15   20   10 o    4.015000      0.3884000       4.132000 0.4837000       3.897000      0.6079000      0.2354000      0.7768000
  1 1 1      15   20   11 f    3.451000      0.3227000       3.256000 0.4291000       3.646000      0.4821000     -0.3899000      0.6455000
  1 1 1      15   20   12 o    7.904000      0.2124000       7.980000 0.2723000       7.828000      0.3261000      0.1523000      0.4248000
  1 1 1      15   20   13 o    7.841000      0.2216000       8.147000 0.2802000       7.535000      0.3434000      0.6118000      0.4432000
  1 1 1      15   20   14 o    4.975000      0.2708000       4.770000 0.3430000       5.179000      0.4191000     -0.4090000      0.5416000
  1 1 1      15   20   15 o    6.676000      0.2453000       6.907000 0.3211000       6.444000      0.3710000      0.4636000      0.4907000
  1 1 1      15   20   16 f    11.66000      0.2563000       11.65000 0.3444000       11.68000      0.3797000     -0.3497000E-01  0.5126000
  1 1 1      15   20   17 o    9.072000      0.2327000       9.135000 0.3228000       9.009000      0.3353000      0.1265000      0.4655000
  1 1 1      15   20   18 o    3.199000      0.4473000       2.881000 0.6821000       3.518000      0.5790000     -0.6365000      0.8947000
  1 1 1      15   20   19 o    6.951000      0.3071000       6.885000 0.4482000       7.017000      0.4200000     -0.1320000      0.6143000
  1 1 1      15   20   20 o    2.677000      0.6174000       3.011000 0.9080000       2.342000      0.8370000      0.6687000       1.235000
  1 1 1      15   20   21 o    3.534000      0.5905000       3.543000 0.8866000       3.524000      0.7801000      0.1932000E-01   1.181000
  1 1 1      15   20   22 o    6.658000      0.4612000       6.603000 0.7362000       6.714000      0.5556000     -0.1106000      0.9223000
  1 1 1      15   20   23 o    3.106000      0.8333000       3.697000 1.303000       2.516000       1.039000       1.181000       1.667000
  1 1 1      15   20   24 o    6.670000      0.5871000       6.922000 0.8864000       6.418000      0.7702000      0.5044000       1.174000
  1 1 1      15   20   25 o    7.644000      0.3604000                  ?       ?   7.644000      0.3604000                  ?              ?
  1 1 1      15   20   26 o    2.657000      0.5800000       2.247000 0.8699000       3.068000      0.7675000     -0.8217000       1.160000
  1 1 1      15   20   27 o    5.149000      0.4227000       4.981000 0.6639000       5.316000      0.5232000     -0.3352000      0.8453000
  1 1 1      15   20   28 o    2.031000      0.5933000       2.494000 0.9420000       1.568000      0.7215000      0.9256000       1.187000
  1 1 1      15   20   29 o    2.679000      0.6717000       2.869000 1.003000       2.489000      0.8937000      0.3799000       1.343000
  1 1 1      15   20   30 o    1.952000      0.6023000       1.884000 0.8566000       2.019000      0.8468000     -0.1344000       1.205000
  1 1 1      15   20   31 f    2.733000      0.7050000       2.640000 1.047000       2.825000      0.9442000     -0.1855000       1.410000
  1 1 1      15   21    0 o    6.056000      0.2551000       5.788000 0.3437000       6.324000      0.3770000     -0.5364000      0.5102000
  1 1 1      15   21    1 o    6.995000      0.2591000       6.637000 0.4055000       7.354000      0.3226000     -0.7176000      0.5182000
  1 1 1      15   21    2 o    5.112000      0.2836000       5.294000 0.4502000       4.930000      0.3450000      0.3645000      0.5672000
  1 1 1      15   21    3 o    13.96000      0.3032000       14.03000 0.4353000       13.88000      0.4222000      0.1465000      0.6065000
  1 1 1      15   21    4 o    4.382000      0.2815000       4.555000 0.4590000       4.210000      0.3259000      0.3453000      0.5630000
  1 1 1      15   21    5 o    3.843000      0.2647000       3.843000 0.3623000       3.843000      0.3859000     -0.2730000E-03  0.5294000
  1 1 1      15   21    6 o    4.846000      0.2212000       4.754000 0.3216000       4.939000      0.3036000     -0.1849000      0.4423000
  1 1 1      15   21    7 o    5.882000      0.1990000       5.951000 0.2803000       5.813000      0.2826000      0.1377000      0.3980000
  1 1 1      15   21    8 o    8.627000      0.1877000       8.703000 0.2567000       8.550000      0.2740000      0.1526000      0.3754000
  1 1 1      15   21    9 o    7.310000      0.1963000       7.285000 0.2685000       7.335000      0.2864000     -0.4939000E-01  0.3926000
  1 1 1      15   21   10 o    6.952000      0.2072000       6.792000 0.2717000       7.111000      0.3129000     -0.3195000      0.4143000
  1 1 1      15   21   11 o    5.078000      0.2522000       4.981000 0.3220000       5.175000      0.3882000     -0.1943000      0.5044000
  1 1 1      15   21   12 o    3.075000      0.4305000       3.672000 0.4472000       2.477000      0.7357000       1.195000      0.8609000
  1 1 1      15   21   13 o    8.460000      0.2257000       8.102000 0.2894000       8.819000      0.3465000     -0.7175000      0.4515000
  1 1 1      15   21   14 o    5.890000      0.2763000       5.762000 0.3658000       6.019000      0.4143000     -0.2574000      0.5527000
  1 1 1      15   21   15 o    5.569000      0.2787000       5.412000 0.3872000       5.726000      0.4009000     -0.3142000      0.5573000
  1 1 1      15   21   16 o    6.211000      0.2747000       6.739000 0.3739000       5.683000      0.4025000       1.056000      0.5493000
  1 1 1      15   21   17 o    1.800000      0.4944000       1.854000 0.6974000       1.747000      0.7009000      0.1067000      0.9887000
  1 1 1      15   21   18 o    7.723000      0.2763000       7.906000 0.3814000       7.539000      0.3998000      0.3668000      0.5525000
  1 1 1      15   21   19 o    9.022000      0.2687000       9.262000 0.3740000       8.782000      0.3858000      0.4806000      0.5373000
  1 1 1      15   21   20 o    3.013000      0.4983000       4.294000 0.6504000       1.733000      0.7550000       2.561000      0.9965000
  1 1 1      15   21   21 o    2.288000      0.5751000       1.788000 0.7879000       2.788000      0.8380000     -0.9999000       1.150000
  1 1 1      15   21   22 o    2.462000      0.5651000       1.893000 0.7977000       3.031000      0.8008000      -1.138000       1.130000
  1 1 1      15   21   23 o    5.199000      0.4150000       4.896000 0.6211000       5.501000      0.5507000     -0.6055000      0.8301000
  1 1 1      15   21   24 o    5.168000      0.3959000       4.768000 0.6233000       5.569000      0.4883000     -0.8009000      0.7918000
  1 1 1      15   21   25 o    1.883000      0.5417000       1.662000 0.7459000       2.104000      0.7858000     -0.4421000       1.083000
  1 1 1      15   21   26 o    2.298000      0.6293000       2.112000 0.8902000       2.485000      0.8898000     -0.3726000       1.259000
  1 1 1      15   21   27 o    2.362000      0.6179000       1.885000 0.8474000       2.840000      0.8993000     -0.9546000       1.236000
  1 1 1      15   21   28 o    2.943000      0.6877000       2.700000 1.007000       3.186000      0.9373000     -0.4850000       1.375000
  1 1 1      15   21   29 o    3.053000      0.7050000       3.707000 1.048000       2.398000      0.9431000       1.308000       1.410000
  1 1 1      15   21   30 o    1.866000      0.5934000       1.916000 0.8728000       1.815000      0.8042000      0.1004000       1.187000
  1 1 1      15   21   31 o    1.988000      0.6237000       2.250000 0.9607000       1.726000      0.7957000      0.5246000       1.247000
  1 1 1      15   22    0 o    10.02000      0.2077000       9.613000 0.2918000       10.43000      0.2955000     -0.8222000      0.4153000
  1 1 1      15   22    1 o    3.248000      0.3588000       3.675000 0.4468000       2.820000      0.5616000      0.8549000      0.7176000
  1 1 1      15   22    2 o    6.706000      0.2116000       6.773000 0.3085000       6.640000      0.2896000      0.1332000      0.4231000
  1 1 1      15   22    3 o    8.366000      0.1968000       8.478000 0.2801000       8.255000      0.2764000      0.2229000      0.3935000
  1 1 1      15   22    4 o    4.011000      0.2719000       3.849000 0.4161000       4.173000      0.3500000     -0.3236000      0.5437000
  1 1 1      15   22    5 o    4.331000      0.2670000       4.267000 0.3464000       4.396000      0.4063000     -0.1292000      0.5339000
  1 1 1      15   22    7 o    3.657000      0.3826000       3.855000 0.5273000       3.460000      0.5546000      0.3957000      0.7653000
  1 1 1      15   22    8 o    12.44000      0.4052000                  ?       ?   12.44000      0.4052000                  ?              ?
  1 1 1      15   22    9 o    3.086000      0.5360000       2.372000 0.7978000       3.799000      0.7161000      -1.427000       1.072000
  1 1 1      15   22   10 o    7.175000      0.3223000       7.108000 0.4272000       7.242000      0.4827000     -0.1345000      0.6446000
  1 1 1      15   22   11 f    4.942000      0.6003000       5.544000 0.5817000       4.341000       1.050000       1.203000       1.201000
  1 1 1      15   22   12 o    12.30000      0.4879000       12.13000 0.5202000       12.48000      0.8256000     -0.3490000      0.9758000
  1 1 1      15   22   13 o    13.28000      0.4891000       12.85000 0.5382000       13.70000      0.8168000     -0.8520000      0.9781000
  1 1 1      15   22   14 o    5.890000      0.9330000       6.705000 1.041000       5.076000       1.548000       1.629000       1.866000
  1 1 1      15   22   15 o    4.659000      0.9700000       5.274000 1.474000       4.043000       1.261000       1.231000       1.940000
  1 1 1      15   22   16 o    3.407000      0.9609000       4.159000 1.502000       2.656000       1.199000       1.503000       1.922000
  1 1 1      15   22   17 o    3.627000      0.9572000       4.441000 1.490000       2.812000       1.202000       1.629000       1.914000
  1 1 1      15   22   18 o    3.943000      0.9528000       4.970000 1.473000       2.916000       1.209000       2.055000       1.906000
  1 1 1      15   22   19 o    6.907000      0.7229000       7.046000 0.8974000       6.768000       1.133000      0.2782000       1.446000
  1 1 1      15   22   20 o    5.117000      0.9129000       5.113000 1.136000       5.120000       1.430000     -0.6932000E-02   1.826000
  1 1 1      15   22   21 o    3.316000      0.8185000       3.329000 1.112000       3.303000       1.201000      0.2634000E-01   1.637000
  1 1 1      15   22   22 o    6.091000      0.4869000       6.308000 0.6275000       5.874000      0.7447000      0.4342000      0.9738000
  1 1 1      15   22   23 o    7.973000      0.4234000       8.358000 0.5376000       7.588000      0.6543000      0.7701000      0.8468000
  1 1 1      15   22   24 o    3.589000      0.6089000       3.587000 0.8710000       3.592000      0.8511000     -0.5872000E-02   1.218000
  1 1 1      15   22   25 o    3.260000      0.6020000       3.602000 0.8245000       2.917000      0.8774000      0.6852000       1.204000
  1 1 1      15   22   26 o    2.552000      0.6475000       2.880000 0.9614000       2.223000      0.8676000      0.6563000       1.295000
  1 1 1      15   22   27 o    2.742000      0.6216000       2.067000 0.8937000       3.418000      0.8642000      -1.351000       1.243000
  1 1 1      15   22   28 o    5.133000      0.4980000       5.187000 0.7582000       5.079000      0.6458000      0.1080000      0.9959000
  1 1 1      15   22   29 o    3.594000      0.6536000       2.933000 1.019000       4.255000      0.8184000      -1.321000       1.307000
  1 1 1      15   22   30 o    2.295000      0.6666000       2.470000 1.003000       2.120000      0.8788000      0.3502000       1.333000
  1 1 1      15   23    0 o    14.27000      0.2400000       14.93000 0.3425000       13.61000      0.3364000       1.315000      0.4801000
  1 1 1      15   23    1 o    3.045000      0.4081000       3.353000 0.5854000       2.736000      0.5687000      0.6166000      0.8162000
  1 1 1      15   23    2 f    3.065000      0.3804000       2.437000 0.6489000       3.694000      0.3970000      -1.257000      0.7608000
  1 1 1      15   23    3 o    6.963000      0.2024000       6.899000 0.2937000       7.028000      0.2785000     -0.1299000      0.4048000
  1 1 1      15   23    4 o    4.745000      0.2433000       4.699000 0.3525000       4.792000      0.3355000     -0.9301000E-01  0.4867000
  1 1 1      15   23    5 o    3.713000      0.3031000       3.622000 0.4238000       3.805000      0.4334000     -0.1832000      0.6062000
  1 1 1      15   23    6 o    4.562000      0.3642000       4.562000 0.3642000                  ?              ?              ?              ?
  1 1 1      15   23    7 o    3.530000      0.3165000       3.564000 0.4232000       3.495000      0.4708000      0.6949000E-01  0.6330000
  1 1 1      15   23    8 o    6.547000      0.3412000                  ?       ?   6.547000      0.3412000                  ?              ?
  1 1 1      15   23    9 o    2.353000      0.4878000       2.016000 0.6721000       2.690000      0.7073000     -0.6739000      0.9757000
  1 1 1      15   23   10 f    5.086000      0.2737000       4.933000 0.3625000       5.239000      0.4102000     -0.3060000      0.5475000
  1 1 1      15   23   11 o    3.503000      0.4530000       4.387000 0.4064000       2.619000      0.8097000       1.768000      0.9059000
  1 1 1      15   23   12 o    8.720000      0.2419000       9.005000 0.3100000       8.435000      0.3713000      0.5701000      0.4837000
  1 1 1      15   23   13 o    1.921000      0.4985000       2.050000 0.6840000       1.793000      0.7253000      0.2575000      0.9970000
  1 1 1      15   23   14 o    2.932000      0.4912000       3.069000 0.6404000       2.794000      0.7451000      0.2758000      0.9825000
  1 1 1      15   23   15 o    4.488000      0.3472000       4.324000 0.4907000       4.652000      0.4913000     -0.3282000      0.6944000
  1 1 1      15   23   16 o    4.044000      0.3883000       4.369000 0.4859000       3.720000      0.6057000      0.6496000      0.7765000
  1 1 1      15   23   17 o    7.928000      0.2797000       8.301000 0.3766000       7.554000      0.4138000      0.7462000      0.5595000
  1 1 1      15   23   18 o    10.08000      0.2902000       10.17000 0.3865000       9.996000      0.4331000      0.1762000      0.5804000
  1 1 1      15   23   19 o    2.997000      0.6250000       3.031000 0.8757000       2.964000      0.8919000      0.6732000E-01   1.250000
  1 1 1      15   23   20 o    3.211000      0.5731000       4.188000 0.7338000       2.233000      0.8805000       1.956000       1.146000
  1 1 1      15   23   21 o    3.031000      0.6124000       2.687000 0.8993000       3.376000      0.8315000     -0.6883000       1.225000
  1 1 1      15   23   22 o    3.739000      0.5660000       2.904000 0.9030000       4.573000      0.6827000      -1.669000       1.132000
  1 1 1      15   23   23 o    2.087000      0.6237000       2.050000 0.8630000       2.125000      0.9008000     -0.7479000E-01   1.247000
  1 1 1      15   23   24 o    4.611000      0.5136000       4.789000 0.6993000       4.433000      0.7523000      0.3558000       1.027000
  1 1 1      15   23   25 o    2.499000      0.6234000       2.071000 0.8731000       2.928000      0.8901000     -0.8564000       1.247000
  1 1 1      15   23   26 o    2.950000      0.6741000       3.426000 0.9860000       2.474000      0.9195000      0.9518000       1.348000
  1 1 1      15   23   27 o    3.781000      0.6537000       3.554000 0.9953000       4.009000      0.8476000     -0.4543000       1.307000
  1 1 1      15   23   28 o    2.688000      0.6926000       2.655000 1.006000       2.721000      0.9525000     -0.6595000E-01   1.385000
  1 1 1      15   23   29 o    6.233000      0.4733000       6.233000 0.7215000       6.233000      0.6130000     -0.8664000E-03  0.9467000
  1 1 1      15   24    0 o    2.891000      0.4349000       2.526000 0.7229000       3.256000      0.4838000     -0.7302000      0.8699000
  1 1 1      15   24    1 o    6.022000      0.2341000       6.240000 0.3396000       5.804000      0.3224000      0.4360000      0.4682000
  1 1 1      15   24    2 o    5.817000      0.2355000       6.199000 0.3432000       5.436000      0.3226000      0.7629000      0.4710000
  1 1 1      15   24    3 o    3.162000      0.3850000       2.564000 0.6548000       3.759000      0.4051000      -1.195000      0.7700000
  1 1 1      15   24    4 o    8.824000      0.2047000       8.647000 0.2814000       9.001000      0.2975000     -0.3546000      0.4095000
  1 1 1      15   24    5 o    7.518000      0.2068000       7.358000 0.2911000       7.678000      0.2937000     -0.3199000      0.4135000
  1 1 1      15   24    6 o    10.34000      0.2771000       10.34000 0.2771000                  ?              ?              ?              ?
  1 1 1      15   24    7 f    5.661000      0.2472000       5.594000 0.3225000       5.727000      0.3746000     -0.1331000      0.4943000
  1 1 1      15   24    8 o    11.56000      0.3165000                  ?       ?   11.56000      0.3165000                  ?              ?
  1 1 1      15   24    9 o    5.929000      0.2497000       5.845000 0.3209000       6.013000      0.3826000     -0.1680000      0.4993000
  1 1 1      15   24   10 o    2.785000      0.4774000       3.447000 0.5386000       2.123000      0.7883000       1.324000      0.9548000
  1 1 1      15   24   11 o    5.869000      0.2914000       6.348000 0.3373000       5.391000      0.4752000      0.9562000      0.5828000
  1 1 1      15   24   12 o    9.703000      0.2431000       9.776000 0.3109000       9.630000      0.3738000      0.1460000      0.4862000
  1 1 1      15   24   13 o    6.379000      0.2764000       6.539000 0.3590000       6.219000      0.4204000      0.3196000      0.5528000
  1 1 1      15   24   14 o    3.714000      0.4330000       4.044000 0.5362000       3.383000      0.6801000      0.6606000      0.8660000
  1 1 1      15   24   15 o    2.506000      0.4807000       3.303000 0.6418000       1.708000      0.7158000       1.594000      0.9614000
  1 1 1      15   24   16 o    3.290000      0.4874000       3.605000 0.6364000       2.975000      0.7383000      0.6300000      0.9747000
  1 1 1      15   24   17 o    12.73000      0.2882000       13.01000 0.3801000       12.45000      0.4332000      0.5617000      0.5763000
  1 1 1      15   24   18 o    8.220000      0.3161000       8.421000 0.4113000       8.020000      0.4801000      0.4010000      0.6322000
  1 1 1      15   24   19 o    2.470000      0.6345000       2.373000 0.9040000       2.567000      0.8905000     -0.1940000       1.269000
  1 1 1      15   24   20 o    6.794000      0.3405000       6.712000 0.4900000       6.875000      0.4728000     -0.1638000      0.6809000
  1 1 1      15   24   21 o    5.737000      0.3910000       5.897000 0.5323000       5.578000      0.5728000      0.3189000      0.7820000
  1 1 1      15   24   22 o    2.407000      0.6502000       2.423000 0.9141000       2.391000      0.9251000      0.3214000E-01   1.300000
  1 1 1      15   24   23 o    4.760000      0.5133000       4.514000 0.7511000       5.006000      0.6998000     -0.4922000       1.027000
  1 1 1      15   24   24 o    2.098000      0.6337000       1.951000 0.8675000       2.245000      0.9240000     -0.2939000       1.267000
  1 1 1      15   24   25 o    3.110000      0.6691000       3.142000 0.9570000       3.079000      0.9354000      0.6276000E-01   1.338000
  1 1 1      15   24   26 o    2.345000      0.6651000       2.631000 0.9921000       2.058000      0.8861000      0.5738000       1.330000
  1 1 1      15   24   27 o    3.474000      0.7031000       3.216000 1.037000       3.732000      0.9499000     -0.5157000       1.406000
  1 1 1      15   24   28 o    2.879000      0.6701000       2.185000 0.9536000       3.574000      0.9418000      -1.389000       1.340000
  1 1 1      15   24   29 o    4.458000       1.472000                  ?       ?   4.458000       1.472000                  ?              ?
  1 1 1      15   25    0 o    3.000000      0.4242000       2.504000 0.7071000       3.496000      0.4689000     -0.9917000      0.8484000
  1 1 1      15   25    1 o    7.190000      0.2200000       7.151000 0.3229000       7.228000      0.2990000     -0.7772000E-01  0.4401000
  1 1 1      15   25    2 o    6.830000      0.2262000       6.851000 0.3318000       6.809000      0.3075000      0.4248000E-01  0.4523000
  1 1 1      15   25    3 o    4.469000      0.2815000       4.480000 0.4095000       4.458000      0.3864000      0.2200000E-01  0.5630000
  1 1 1      15   25    4 o    11.09000      0.2098000       10.92000 0.2858000       11.26000      0.3072000     -0.3395000      0.4196000
  1 1 1      15   25    5 o    8.704000      0.2042000       8.606000 0.2739000       8.801000      0.3028000     -0.1945000      0.4083000
  1 1 1      15   25    6 o    5.214000      0.2762000       5.835000 0.3073000       4.593000      0.4589000       1.242000      0.5523000
  1 1 1      15   25    7 o    5.897000      0.2555000       5.570000 0.3467000       6.223000      0.3755000     -0.6529000      0.5111000
  1 1 1      15   25    8 o    6.559000      0.2508000       6.555000 0.3155000       6.563000      0.3900000     -0.7957000E-02  0.5017000
  1 1 1      15   25    9 o    4.402000      0.3342000       3.932000 0.4859000       4.873000      0.4590000     -0.9414000      0.6684000
  1 1 1      15   25   10 o    5.000000      0.3342000       4.459000 0.4417000       5.541000      0.5016000      -1.082000      0.6684000
  1 1 1      15   25   11 o    2.054000      0.5241000       1.855000 0.6963000       2.253000      0.7835000     -0.3979000       1.048000
  1 1 1      15   25   12 o    5.616000      0.3137000       5.718000 0.3680000       5.513000      0.5082000      0.2054000      0.6274000
  1 1 1      15   25   13 o    8.565000      0.2703000       9.078000 0.3505000       8.053000      0.4116000       1.025000      0.5406000
  1 1 1      15   25   14 o    6.433000      0.2921000       7.013000 0.3969000       5.853000      0.4285000       1.160000      0.5841000
  1 1 1      15   25   15 o    4.385000      0.3943000       4.527000 0.5230000       4.244000      0.5902000      0.2829000      0.7886000
  1 1 1      15   25   16 o    6.444000      0.3149000       6.889000 0.3937000       6.000000      0.4915000      0.8891000      0.6297000
  1 1 1      15   25   17 o    6.562000      0.8337000       7.226000 1.127000       5.897000       1.229000       1.329000       1.667000
  1 1 1      15   25   18 o    2.268000      0.6203000       2.035000 0.8609000       2.501000      0.8931000     -0.4664000       1.241000
  1 1 1      15   25   19 o    2.413000      0.6407000       2.422000 0.9090000       2.404000      0.9031000      0.1815000E-01   1.281000
  1 1 1      15   25   20 o    6.741000      0.3457000       6.945000 0.4626000       6.537000      0.5140000      0.4085000      0.6915000
  1 1 1      15   25   21 o    8.204000      0.3202000       7.819000 0.4404000       8.589000      0.4650000     -0.7700000      0.6404000
  1 1 1      15   25   22 o    4.637000      0.5294000       5.008000 0.6794000       4.266000      0.8120000      0.7422000       1.059000
  1 1 1      15   25   23 o    2.323000      0.6705000       2.346000 0.9507000       2.300000      0.9456000      0.4627000E-01   1.341000
  1 1 1      15   25   24 o    2.329000      0.6640000       2.053000 0.9004000       2.605000      0.9761000     -0.5517000       1.328000
  1 1 1      15   25   25 o    3.144000      0.6764000       3.326000 0.9657000       2.961000      0.9475000      0.3653000       1.353000
  1 1 1      15   25   26 o    2.663000      0.6933000       3.171000 1.037000       2.156000      0.9202000       1.015000       1.387000
  1 1 1      15   25   27 o    2.129000      0.6589000       2.153000 0.9528000       2.106000      0.9103000      0.4690000E-01   1.318000
  1 1 1      15   25   28 o    3.842000      0.7204000       3.941000 1.041000       3.743000      0.9961000      0.1988000       1.441000
  1 1 1      15   26    0 o    11.34000      0.2216000       11.36000 0.3132000       11.31000      0.3135000      0.4766000E-01  0.4432000
  1 1 1      15   26    1 o    8.486000      0.2172000       8.264000 0.2997000       8.709000      0.3145000     -0.4450000      0.4344000
  1 1 1      15   26    2 o    2.066000      0.4819000       2.274000 0.7039000       1.858000      0.6584000      0.4158000      0.9639000
  1 1 1      15   26    3 o    2.040000      0.4808000       2.134000 0.6872000       1.946000      0.6728000      0.1885000      0.9617000
  1 1 1      15   26    4 o    4.907000      0.2718000       4.916000 0.3926000       4.897000      0.3760000      0.1872000E-01  0.5436000
  1 1 1      15   26    5 o    2.538000      0.4825000       2.557000 0.6427000       2.518000      0.7199000      0.3819000E-01  0.9650000
  1 1 1      15   26    6 o    6.862000      0.2431000       6.759000 0.3222000       6.964000      0.3640000     -0.2053000      0.4861000
  1 1 1      15   26    7 o    8.598000      0.2350000       8.549000 0.2934000       8.646000      0.3671000     -0.9671000E-01  0.4699000
  1 1 1      15   26    8 o    1.939000      0.5070000       2.005000 0.6860000       1.873000      0.7467000      0.1314000       1.014000
  1 1 1      15   26    9 o    8.262000      0.2583000       8.226000 0.3274000       8.297000      0.3996000     -0.7071000E-01  0.5166000
  1 1 1      15   26   10 o    2.115000      0.5211000       2.368000 0.6882000       1.861000      0.7827000      0.5072000       1.042000
  1 1 1      15   26   11 o    10.58000      0.2457000       11.12000 0.3185000       10.03000      0.3743000       1.081000      0.4914000
  1 1 1      15   26   12 o    8.498000      0.2739000       8.686000 0.3323000       8.310000      0.4355000      0.3764000      0.5478000
  1 1 1      15   26   13 o    2.655000      0.5390000       2.090000 0.7624000       3.220000      0.7621000      -1.130000       1.078000
  1 1 1      15   26   14 o    3.766000      0.4687000       4.171000 0.5662000       3.361000      0.7471000      0.8098000      0.9375000
  1 1 1      15   26   15 o    4.123000      0.4452000       4.859000 0.5197000       3.387000      0.7231000       1.472000      0.8905000
  1 1 1      15   26   16 o    8.884000      0.2930000       8.765000 0.3875000       9.003000      0.4394000     -0.2374000      0.5859000
  1 1 1      15   26   17 o    2.552000      0.6398000       2.519000 0.9034000       2.586000      0.9061000     -0.6675000E-01   1.280000
  1 1 1      15   26   18 o    3.722000      0.5872000       4.353000 0.7352000       3.091000      0.9158000       1.262000       1.174000
  1 1 1      15   26   19 o    2.034000      0.5540000       2.695000 0.8805000       1.374000      0.6727000       1.321000       1.108000
  1 1 1      15   26   20 o    2.508000      0.6540000       2.157000 0.8823000       2.860000      0.9658000     -0.7030000       1.308000
  1 1 1      15   26   21 o    4.021000      0.6188000       4.449000 0.7638000       3.592000      0.9738000      0.8572000       1.238000
  1 1 1      15   26   22 o    6.174000      0.4210000       5.886000 0.6176000       6.462000      0.5723000     -0.5755000      0.8420000
  1 1 1      15   26   23 o    3.315000      0.7185000       3.261000 1.046000       3.369000      0.9847000     -0.1080000       1.437000
  1 1 1      15   26   24 o    2.542000      0.7098000       2.522000 1.001000       2.562000       1.007000     -0.3985000E-01   1.420000
  1 1 1      15   26   25 o    2.730000      0.7073000       3.144000 1.054000       2.317000      0.9437000      0.8264000       1.415000
  1 1 1      15   26   26 o    3.109000      0.6904000       2.359000 0.9874000       3.858000      0.9653000      -1.499000       1.381000
  1 1 1      15   26   27 o    2.288000      0.6723000       1.938000 0.8883000       2.637000       1.009000     -0.6986000       1.345000
  1 1 1      15   27    0 f    3.414000      0.4025000       3.483000 0.5581000       3.345000      0.5801000      0.1384000      0.8050000
  1 1 1      15   27    1 o    2.070000      0.4567000       1.483000 0.6477000       2.657000      0.6440000      -1.174000      0.9133000
  1 1 1      15   27    2 o    4.166000      0.3355000       3.866000 0.5076000       4.467000      0.4390000     -0.6018000      0.6711000
  1 1 1      15   27    3 o    6.222000      0.2444000       6.215000 0.3329000       6.229000      0.3578000     -0.1407000E-01  0.4887000
  1 1 1      15   27    4 o    12.52000      0.2252000       12.69000 0.3082000       12.34000      0.3284000      0.3519000      0.4504000
  1 1 1      15   27    5 o    10.64000      0.2221000       10.61000 0.3035000       10.66000      0.3242000     -0.5011000E-01  0.4441000
  1 1 1      15   27    6 o    10.20000      0.2316000       9.986000 0.3047000       10.41000      0.3489000     -0.4200000      0.4632000
  1 1 1      15   27    7 o    12.19000      0.3044000       12.19000 0.3044000                  ?              ?              ?              ?
  1 1 1      15   27    8 o    4.860000      0.3353000       4.901000 0.4167000       4.819000      0.5255000      0.8206000E-01  0.6707000
  1 1 1      15   27    9 o    8.167000      0.2638000       8.217000 0.3227000       8.118000      0.4175000      0.9951000E-01  0.5276000
  1 1 1      15   27   10 o    1.922000      0.5368000       2.059000 0.7422000       1.785000      0.7756000      0.2741000       1.074000
  1 1 1      15   27   11 o    8.109000      0.2679000       8.595000 0.3349000       7.623000      0.4181000      0.9727000      0.5357000
  1 1 1      15   27   12 o    2.715000      0.5509000       2.989000 0.7216000       2.442000      0.8328000      0.5472000       1.102000
  1 1 1      15   27   13 o    5.267000      0.3678000       5.278000 0.4846000       5.256000      0.5534000      0.2170000E-01  0.7355000
  1 1 1      15   27   14 o    2.048000      0.5732000       2.180000 0.8148000       1.916000      0.8063000      0.2637000       1.146000
  1 1 1      15   27   15 o    2.254000      0.5864000       2.591000 0.8427000       1.918000      0.8156000      0.6731000       1.173000
  1 1 1      15   27   16 o    3.849000      0.5153000       4.192000 0.6122000       3.505000      0.8290000      0.6868000       1.031000
  1 1 1      15   27   17 o    5.554000      0.4015000       5.392000 0.5465000       5.716000      0.5883000     -0.3237000      0.8030000
  1 1 1      15   27   18 o    6.417000      0.3933000       6.774000 0.4954000       6.060000      0.6111000      0.7139000      0.7867000
  1 1 1      15   27   19 o    6.276000      0.4061000       6.298000 0.5482000       6.254000      0.5994000      0.4341000E-01  0.8123000
  1 1 1      15   27   20 o    2.850000      0.6996000       2.833000 0.9690000       2.866000       1.009000     -0.3344000E-01   1.399000
  1 1 1      15   27   21 o    5.006000      0.5423000       5.124000 0.7433000       4.888000      0.7898000      0.2354000       1.085000
  1 1 1      15   27   22 o    5.914000      0.4820000       5.159000 0.7523000       6.670000      0.6028000      -1.511000      0.9641000
  1 1 1      15   27   23 o    3.407000      0.7195000       3.893000 0.9845000       2.921000       1.050000      0.9725000       1.439000
  1 1 1      15   27   24 o    3.310000      0.7069000       4.161000 1.002000       2.459000      0.9969000       1.702000       1.414000
  1 1 1      15   27   25 o    2.283000      0.6846000       2.044000 0.9282000       2.522000       1.007000     -0.4780000       1.369000
  1 1 1      15   27   26 o    2.496000      0.7026000       2.637000 1.027000       2.355000      0.9592000      0.2822000       1.405000
  1 1 1      15   28    0 o    5.606000      0.2774000       5.511000 0.3968000       5.700000      0.3877000     -0.1890000      0.5547000
  1 1 1      15   28    1 o    5.891000      0.2633000       5.582000 0.3765000       6.200000      0.3681000     -0.6178000      0.5266000
  1 1 1      15   28    2 o    5.396000      0.2779000       5.377000 0.3960000       5.415000      0.3899000     -0.3767000E-01  0.5558000
  1 1 1      15   28    3 o    1.644000      0.4848000       1.472000 0.6453000       1.816000      0.7236000     -0.3446000      0.9696000
  1 1 1      15   28    4 o    7.194000      0.2394000       7.248000 0.3215000       7.141000      0.3549000      0.1064000      0.4788000
  1 1 1      15   28    5 o    5.440000      0.4359000       5.189000 0.4323000       5.691000      0.7570000     -0.5022000      0.8718000
  1 1 1      15   28    6 o    9.110000      0.2430000       8.672000 0.3167000       9.548000      0.3687000     -0.8759000      0.4861000
  1 1 1      15   28    7 o    6.064000      0.3602000       6.064000 0.3602000                  ?              ?              ?              ?
  1 1 1      15   28    8 o    1.718000      0.5126000       1.226000 0.5862000       2.209000      0.8412000     -0.9827000       1.025000
  1 1 1      15   28    9 o    1.942000      0.8351000                  ?       ?   1.942000      0.8351000                  ?              ?
  1 1 1      15   28   10 o    5.669000      0.3615000       6.115000 0.3919000       5.223000      0.6075000      0.8928000      0.7229000
  1 1 1      15   28   11 o    4.402000      0.4434000       4.936000 0.4645000       3.869000      0.7554000       1.066000      0.8868000
  1 1 1      15   28   12 o    4.733000      0.4136000       4.860000 0.5028000       4.607000      0.6570000      0.2525000      0.8273000
  1 1 1      15   28   13 o    4.161000      0.4960000       4.161000 0.6443000       4.162000      0.7542000     -0.1103000E-02  0.9920000
  1 1 1      15   28   14 o    3.071000      0.5896000       2.603000 0.8592000       3.539000      0.8075000     -0.9354000       1.179000
  1 1 1      15   28   15 o    6.528000      0.3516000       7.378000 0.4416000       5.677000      0.5473000       1.701000      0.7033000
  1 1 1      15   28   16 o    6.897000      0.3387000       6.774000 0.4793000       7.020000      0.4788000     -0.2467000      0.6775000
  1 1 1      15   28   17 o    2.444000      0.6645000       2.146000 0.8805000       2.743000      0.9955000     -0.5970000       1.329000
  1 1 1      15   28   18 o    2.151000      0.6508000       1.850000 0.8340000       2.452000      0.9992000     -0.6015000       1.302000
  1 1 1      15   28   19 o    2.617000      0.6955000       2.907000 0.9918000       2.326000      0.9754000      0.5813000       1.391000
  1 1 1      15   28   20 o    2.773000      0.7001000       2.169000 0.9272000       3.376000       1.049000      -1.207000       1.400000
  1 1 1      15   28   21 o    3.093000      0.6667000       3.924000 0.9139000       2.262000      0.9709000       1.662000       1.333000
  1 1 1      15   28   22 o    2.462000      0.6996000       2.582000 0.9940000       2.342000      0.9848000      0.2398000       1.399000
  1 1 1      15   28   23 f    2.664000      0.7036000       3.315000 1.070000       2.013000      0.9137000       1.302000       1.407000
  1 1 1      15   28   24 o    2.669000      0.6993000       3.120000 1.049000       2.218000      0.9252000      0.9022000       1.399000
  1 1 1      15   28   25 o    3.385000      0.9331000       3.231000 1.300000       3.539000       1.339000     -0.3083000       1.866000
  1 1 1      15   29    1 o    5.255000      0.5580000       4.924000 0.6763000       5.585000      0.8878000     -0.6615000       1.116000
  1 1 1      15   29    2 o    1.737000      0.5604000       1.832000 0.7876000       1.642000      0.7973000      0.1903000       1.121000
  1 1 1      15   29    3 o    1.775000      0.5680000       1.480000 0.6835000       2.069000      0.9075000     -0.5892000       1.136000
  1 1 1      15   29    4 o    3.656000      0.6487000       3.029000 0.8513000       4.284000      0.9790000      -1.255000       1.297000
  1 1 1      15   29    5 o    3.892000      0.6147000       3.845000 0.6937000       3.940000       1.015000     -0.9487000E-01   1.229000
  1 1 1      15   29    6 o    3.725000      0.6225000       3.754000 0.7087000       3.696000       1.024000      0.5868000E-01   1.245000
  1 1 1      15   29    7 o    1.518000      0.6564000       1.518000 0.6564000                  ?              ?              ?              ?
  1 1 1      15   29    8 o    2.044000      0.5609000       1.804000 0.7356000       2.283000      0.8470000     -0.4796000       1.122000
  1 1 1      15   29    9 o    3.465000      0.8563000                  ?       ?   3.465000      0.8563000                  ?              ?
  1 1 1      15   29   10 o    2.347000      0.6166000       2.344000 0.8365000       2.350000      0.9060000     -0.5802000E-02   1.233000
  1 1 1      15   29   11 o    1.833000      0.5520000       2.115000 0.8220000       1.552000      0.7369000      0.5635000       1.104000
  1 1 1      15   29   12 o    3.214000      0.5965000       3.789000 0.7346000       2.638000      0.9400000       1.151000       1.193000
  1 1 1      15   29   13 o    3.964000      0.5484000       3.549000 0.7934000       4.379000      0.7573000     -0.8297000       1.097000
  1 1 1      15   29   14 o    4.140000      0.5150000       4.032000 0.6995000       4.247000      0.7561000     -0.2142000       1.030000
  1 1 1      15   29   15 o    4.040000      0.5412000       4.918000 0.5996000       3.162000      0.9011000       1.756000       1.082000
  1 1 1      15   29   16 o    3.115000      0.6714000       3.411000 0.8590000       2.819000       1.032000      0.5923000       1.343000
  1 1 1      15   29   17 o    3.815000      0.7071000       4.696000 0.8676000       2.933000       1.117000       1.763000       1.414000
  1 1 1      15   29   18 o    3.276000      0.7476000       4.104000 1.064000       2.449000       1.050000       1.655000       1.495000
  1 1 1      15   29   19 o    3.173000      0.8140000       2.564000 1.062000       3.782000       1.234000      -1.219000       1.628000
  1 1 1      15   29   20 o    2.369000      0.7385000       1.885000 0.8926000       2.852000       1.177000     -0.9673000       1.477000
  1 1 1      15   29   21 o    3.719000      0.8529000       3.145000 1.168000       4.294000       1.243000      -1.149000       1.706000
  1 1 1      15   29   22 o    2.849000      0.7882000       3.183000 1.245000       2.514000      0.9669000      0.6686000       1.576000
  1 1 1      15   29   23 o    3.014000      0.7467000       2.991000 1.059000       3.038000       1.053000     -0.4735000E-01   1.493000
  1 1 1      15   29   24 o    2.577000      0.7983000       2.027000 0.9298000       3.128000       1.298000      -1.101000       1.597000
  1 1 1      15   30    0 o    10.16000      0.3132000       9.959000 0.4580000       10.36000      0.4273000     -0.4053000      0.6264000
  1 1 1      15   30    1 o    2.272000      0.5586000       2.081000 0.7755000       2.462000      0.8041000     -0.3809000       1.117000
  1 1 1      15   30    2 o    6.337000      0.2842000       6.643000 0.3696000       6.031000      0.4319000      0.6121000      0.5684000
  1 1 1      15   30    3 o    3.269000      0.5350000       3.217000 0.7164000       3.320000      0.7949000     -0.1029000       1.070000
  1 1 1      15   30    4 o    8.448000      0.3672000       8.960000 0.3461000       7.935000      0.6477000       1.025000      0.7344000
  1 1 1      15   30    5 o    8.557000      0.2692000       8.378000 0.3476000       8.737000      0.4110000     -0.3591000      0.5383000
  1 1 1      15   30    6 o    8.928000      0.2695000       9.369000 0.3471000       8.487000      0.4124000      0.8817000      0.5390000
  1 1 1      15   30    7 o    5.886000      0.4003000       6.665000 0.4067000       5.107000      0.6896000       1.558000      0.8006000
  1 1 1      15   30    8 o    2.763000      0.6172000       2.343000 0.7999000       3.183000      0.9402000     -0.8402000       1.234000
  1 1 1      15   30    9 o    2.848000      0.6064000       2.902000 0.7445000       2.794000      0.9575000      0.1075000       1.213000
  1 1 1      15   30   10 f    1.710000      0.5340000       1.285000 0.6211000       2.136000      0.8688000     -0.8510000       1.068000
  1 1 1      15   30   11 o    1.950000      0.5528000       2.367000 0.8350000       1.533000      0.7245000      0.8339000       1.106000
  1 1 1      15   30   12 o    4.387000      0.5065000       4.371000 0.6273000       4.402000      0.7953000     -0.3149000E-01   1.013000
  1 1 1      15   30   13 o    2.571000      0.6258000       3.008000 0.8636000       2.135000      0.9058000      0.8724000       1.252000
  1 1 1      15   30   14 o    2.445000      0.6042000       3.079000 0.8780000       1.811000      0.8302000       1.268000       1.208000
  1 1 1      15   30   15 o    3.619000      0.6467000       3.245000 0.8948000       3.992000      0.9340000     -0.7463000       1.293000
  1 1 1      15   30   16 o    3.087000      0.7302000       2.662000 0.9968000       3.511000       1.067000     -0.8487000       1.460000
  1 1 1      15   30   17 o    4.908000      0.6462000       5.159000 0.7964000       4.658000       1.018000      0.5016000       1.292000
  1 1 1      15   30   18 o    4.216000      0.7248000       3.800000 1.063000       4.631000      0.9856000     -0.8305000       1.450000
  1 1 1      15   30   19 o    2.344000      0.6815000       2.745000 1.015000       1.943000      0.9095000      0.8020000       1.363000
  1 1 1      15   30   20 o    2.470000      0.6898000       2.880000 1.010000       2.059000      0.9393000      0.8204000       1.380000
  1 1 1      15   30   21 o    2.717000      0.7254000       3.096000 1.040000       2.339000       1.011000      0.7565000       1.451000
  1 1 1      15   30   22 o    3.874000      0.7234000       3.177000 1.204000       4.571000      0.8026000      -1.394000       1.447000
  1 1 1      15   31    0 o    4.676000      0.3962000       4.192000 0.5855000       5.160000      0.5339000     -0.9681000      0.7924000
  1 1 1      15   31    1 o    4.592000      0.4022000       4.078000 0.6076000       5.105000      0.5271000      -1.027000      0.8044000
  1 1 1      15   31    2 f    5.801000      0.3956000       5.576000 0.4539000       6.027000      0.6481000     -0.4510000      0.7912000
  1 1 1      15   31    3 o    6.346000      0.5082000       5.391000 0.7763000       7.301000      0.6562000      -1.910000       1.016000
  1 1 1      15   31    4 o    5.534000      0.5724000       5.889000 0.7456000       5.180000      0.8688000      0.7090000       1.145000
  1 1 1      15   31    5 o    3.444000      0.7430000       3.462000 1.058000       3.427000       1.043000      0.3510000E-01   1.486000
  1 1 1      15   31    6 o    4.381000      0.7997000       5.037000 1.036000       3.726000       1.218000       1.311000       1.599000
  1 1 1      15   31    7 o    3.459000      0.8526000       4.060000 1.255000       2.859000       1.154000       1.201000       1.705000
  1 1 1      15   31    8 o    5.680000      0.7486000       6.763000 0.8880000       4.598000       1.206000       2.165000       1.497000
  1 1 1      15   31    9 o    2.514000      0.8003000       2.406000 1.105000       2.622000       1.158000     -0.2163000       1.601000
  1 1 1      15   31   10 o    2.845000       1.270000       2.845000 1.270000                  ?              ?              ?              ?
  1 1 1      15   31   11 o    3.469000      0.9797000       2.970000 1.317000       3.968000       1.451000     -0.9978000       1.959000
  1 1 1      15   31   12 o    4.288000       1.020000       5.051000 1.453000       3.525000       1.432000       1.526000       2.040000
  1 1 1      15   31   13 o    3.116000      0.9436000       3.469000 1.405000       2.763000       1.260000      0.7068000       1.887000
  1 1 1      15   31   14 o    2.992000       1.362000                  ?       ?   2.992000       1.362000                  ?              ?
  1 1 1      15   31   15 o    2.400000      0.8163000       2.492000 1.178000       2.309000       1.131000      0.1837000       1.633000
  1 1 1      15   31   16 o    4.115000       1.039000       4.576000 1.514000       3.654000       1.423000      0.9214000       2.078000
  1 1 1      15   31   17 f    2.805000      0.8990000       2.517000 1.183000       3.094000       1.354000     -0.5764000       1.798000
  1 1 1      15   31   18 o    2.583000      0.8448000       2.314000 1.102000       2.853000       1.281000     -0.5388000       1.690000
  1 1 1      15   31   19 o    2.693000      0.6626000       1.731000 0.8122000       3.655000       1.047000      -1.924000       1.325000
  1 1 1      15   31   20 o    2.498000      0.7101000       1.892000 0.8662000       3.103000       1.126000      -1.210000       1.420000
  1 1 1      15   31   21 o    2.193000      0.6868000       2.302000 0.9833000       2.084000      0.9593000      0.2186000       1.374000
  1 1 1      15   32    0 o    4.771000      0.4246000       5.025000 0.5525000       4.517000      0.6450000      0.5080000      0.8493000
  1 1 1      15   32    1 o    5.524000      0.3741000       5.783000 0.4951000       5.264000      0.5610000      0.5183000      0.7483000
  1 1 1      15   32    2 o    4.707000      0.6182000       5.638000 0.4931000       3.777000       1.134000       1.861000       1.236000
  1 1 1      15   32    3 o    2.428000      0.6150000       2.338000 0.8427000       2.518000      0.8960000     -0.1799000       1.230000
  1 1 1      15   32    4 o    3.083000      0.6083000       2.479000 0.8553000       3.687000      0.8652000      -1.208000       1.217000
  1 1 1      15   32    5 o    2.461000      0.6393000       2.093000 0.8425000       2.828000      0.9618000     -0.7343000       1.279000
  1 1 1      15   32    6 o    6.157000      0.4327000       6.840000 0.4809000       5.474000      0.7194000       1.365000      0.8653000
  1 1 1      15   32    7 o    6.985000      0.3863000       7.427000 0.4685000       6.543000      0.6144000      0.8839000      0.7726000
  1 1 1      15   32    8 o    3.510000      0.6127000       3.652000 0.8560000       3.367000      0.8770000      0.2848000       1.225000
  1 1 1      15   32    9 o    2.919000      0.6745000       2.697000 0.9219000       3.141000      0.9848000     -0.4434000       1.349000
  1 1 1      15   32   10 o    2.166000      0.6409000       2.002000 0.8454000       2.330000      0.9635000     -0.3279000       1.282000
  1 1 1      15   32   11 o    2.634000      0.7042000       2.687000 0.9541000       2.582000       1.036000      0.1055000       1.408000
  1 1 1      15   32   12 o    2.450000      0.7027000       2.252000 0.9158000       2.649000       1.066000     -0.3971000       1.405000
  1 1 1      15   32   13 o    2.465000      0.7110000       2.278000 0.9516000       2.652000       1.057000     -0.3736000       1.422000
  1 1 1      15   32   14 o    2.258000      0.6826000       2.594000 1.028000       1.922000      0.8986000      0.6716000       1.365000
  1 1 1      15   32   15 o    3.038000      0.7319000       3.494000 1.026000       2.581000       1.044000      0.9131000       1.464000
  1 1 1      15   32   16 o    2.493000      0.7214000       2.619000 1.005000       2.367000       1.036000      0.2527000       1.443000
  1 1 1      15   32   17 o    4.034000      0.7715000       3.702000 1.043000       4.367000       1.137000     -0.6657000       1.543000
  1 1 1      15   32   18 o    2.578000      0.7413000       2.523000 1.025000       2.633000       1.071000     -0.1103000       1.483000
  1 1 1      15   32   19 o    2.350000      0.7069000       1.736000 0.8222000       2.964000       1.150000      -1.228000       1.414000
  1 1 1      15   33    0 o    2.026000      0.5914000       2.400000 0.8981000       1.652000      0.7696000      0.7479000       1.183000
  1 1 1      15   33    1 o    1.790000      0.5677000       1.628000 0.7413000       1.951000      0.8599000     -0.3235000       1.135000
  1 1 1      15   33    2 o    6.045000      0.3869000       5.872000 0.5112000       6.217000      0.5809000     -0.3446000      0.7738000
  1 1 1      15   33    3 o    2.374000      0.6184000       2.662000 0.8677000       2.085000      0.8815000      0.5773000       1.237000
  1 1 1      15   33    4 o    2.289000      0.6335000       2.161000 0.8540000       2.417000      0.9359000     -0.2560000       1.267000
  1 1 1      15   33    5 o    2.375000      0.6118000       1.465000 0.6939000       3.285000       1.008000      -1.820000       1.224000
  1 1 1      15   33    6 o    4.410000      0.5761000       4.127000 0.7511000       4.693000      0.8736000     -0.5661000       1.152000
  1 1 1      15   33    7 o    2.733000      0.6918000       2.892000 0.9076000       2.573000       1.044000      0.3193000       1.384000
  1 1 1      15   33    8 o    2.357000      0.8934000       2.357000 0.8934000                  ?              ?              ?              ?
  1 1 1      15   33    9 f    2.672000      0.7656000       2.471000 0.9488000       2.874000       1.202000     -0.4027000       1.531000
  1 1 1      15   33   10 o    2.947000       1.124000                  ?       ?   2.947000       1.124000                  ?              ?
  1 1 1      15   33   11 o    1.973000      0.6391000       1.831000 0.8485000       2.114000      0.9560000     -0.2834000       1.278000
  1 1 1      15   33   12 o    2.131000      0.6656000       2.255000 0.9601000       2.007000      0.9221000      0.2480000       1.331000
  1 1 1      15   33   13 o    2.503000      0.7179000       2.614000 0.9933000       2.392000       1.037000      0.2215000       1.436000
  1 1 1      15   33   14 o    3.182000      0.7915000       2.929000 1.094000       3.436000       1.144000     -0.5078000       1.583000
  1 1 1      15   33   15 o    4.230000      0.7370000       4.476000 1.012000       3.983000       1.071000      0.4924000       1.474000
  1 1 1      15   33   16 o    2.572000      0.7152000       1.937000 0.8793000       3.207000       1.128000      -1.271000       1.430000
  1 1 1      15   33   17 o    3.118000      0.7877000       3.386000 1.084000       2.851000       1.144000      0.5346000       1.575000
  1 1 1      15   33   18 o    5.788000       1.161000                  ?       ?   5.788000       1.161000                  ?              ?
  1 1 1      15   34    0 o    2.341000      0.6491000       2.579000 0.9257000       2.103000      0.9101000      0.4757000       1.298000
  1 1 1      15   34    1 o    3.987000      0.6447000       3.668000 0.9105000       4.306000      0.9130000     -0.6376000       1.289000
  1 1 1      15   34    2 o    5.189000      0.5085000       4.951000 0.7044000       5.426000      0.7336000     -0.4748000       1.017000
  1 1 1      15   34    3 o    2.451000      0.6760000       2.651000 0.9575000       2.250000      0.9546000      0.4019000       1.352000
  1 1 1      15   34    4 o    1.892000      0.6130000       1.659000 0.7771000       2.124000      0.9483000     -0.4651000       1.226000
  1 1 1      15   34    5 o    3.053000      0.7312000       3.260000 0.9861000       2.845000       1.080000      0.4157000       1.462000
  1 1 1      15   34    6 o    3.564000      0.7276000       3.719000 0.9475000       3.409000       1.104000      0.3105000       1.455000
  1 1 1      15   34    7 o    2.553000      0.7154000       2.638000 0.9914000       2.468000       1.032000      0.1698000       1.431000
  1 1 1      15   34    8 o    2.917000       1.004000       2.917000 1.004000                  ?              ?              ?              ?
  1 1 1      15   34    9 o    2.053000      0.6507000       1.997000 0.8826000       2.109000      0.9564000     -0.1114000       1.301000
  1 1 1      15   34   10 o    3.369000       1.170000                  ?       ?   3.369000       1.170000                  ?              ?
  1 1 1      15   34   11 o    2.954000      0.7473000       3.467000 1.050000       2.440000       1.064000       1.027000       1.495000
  1 1 1      15   34   12 o    2.631000      0.7475000       2.837000 1.054000       2.424000       1.060000      0.4122000       1.495000
  1 1 1      15   34   13 f    3.831000      0.8146000       4.018000 1.135000       3.643000       1.169000      0.3746000       1.629000
  1 1 1      15   34   14 o    4.285000      0.7494000       4.752000 0.9213000       3.818000       1.182000      0.9336000       1.499000
  1 1 1      15   34   15 o    2.785000      0.7633000       2.082000 0.9446000       3.487000       1.199000      -1.405000       1.527000
  1 1 1      15   34   16 o    2.434000       1.107000                  ?       ?   2.434000       1.107000                  ?              ?
  1 1 1      15   35    0 o    2.101000      0.6490000       2.334000 0.9695000       1.868000      0.8630000      0.4652000       1.298000
  1 1 1      15   35    1 o    3.667000      0.7138000       3.729000 0.9936000       3.606000       1.025000      0.1233000       1.428000
  1 1 1      15   35    2 o    2.216000      0.6722000       2.019000 0.9081000       2.413000      0.9915000     -0.3939000       1.344000
  1 1 1      15   35    3 o    3.945000      0.6839000       4.900000 0.8436000       2.989000       1.077000       1.911000       1.368000
  1 1 1      15   35    4 o    2.194000      0.6842000       1.973000 0.9047000       2.416000       1.027000     -0.4430000       1.368000
  1 1 1      15   35    5 o    3.728000      0.6801000       4.931000 0.8556000       2.525000       1.057000       2.406000       1.360000
  1 1 1      15   35    6 f    2.962000      0.7205000       3.394000 0.9943000       2.531000       1.043000      0.8631000       1.441000
  1 1 1      15   35    7 o    2.695000      0.7449000       2.529000 0.9822000       2.860000       1.120000     -0.3304000       1.490000
  1 1 1      15   35    8 o    2.589000      0.7779000       1.850000 0.8696000       3.327000       1.290000      -1.477000       1.556000
  1 1 1      15   35    9 o    3.160000      0.8125000       3.067000 1.090000       3.253000       1.205000     -0.1860000       1.625000
  1 1 1      15   35   10 o    2.410000      0.6867000       2.815000 1.002000       2.005000      0.9389000      0.8103000       1.373000
  1 1 1      15   35   11 o    2.095000      0.6731000       2.018000 0.9007000       2.173000       1.000000     -0.1553000       1.346000
  1 1 1      15   35   12 o    2.151000      0.6909000       2.048000 0.9162000       2.255000       1.034000     -0.2069000       1.382000
  1 1 1      15   35   13 o    3.050000      0.7700000       2.386000 0.9960000       3.715000       1.174000      -1.329000       1.540000
  1 1 1      15   36    0 o    2.938000      0.7219000       3.517000 1.035000       2.358000       1.006000       1.160000       1.444000
  1 1 1      15   36    1 o    2.400000      0.7019000       2.231000 0.9588000       2.570000       1.025000     -0.3388000       1.404000
  1 1 1      15   36    2 o    3.719000      0.7498000       3.455000 1.056000       3.983000       1.065000     -0.5284000       1.500000
  1 1 1      15   36    3 o    2.652000      0.7558000       2.465000 1.026000       2.839000       1.111000     -0.3735000       1.512000
  1 1 1      15   36    4 o    2.983000      0.7642000       2.778000 1.033000       3.187000       1.126000     -0.4091000       1.528000
  1 1 1      15   36    5 o    2.081000      0.6687000       2.040000 0.9121000       2.122000      0.9781000     -0.8217000E-01   1.337000
  1 1 1      15   36    6 o    3.123000      0.7764000       2.419000 1.004000       3.828000       1.185000      -1.408000       1.553000
  1 1 1      15   36    7 o    2.233000      0.7058000       2.206000 0.9652000       2.261000       1.030000     -0.5499000E-01   1.412000
  1 1 1      15   36    8 o    2.203000      0.6586000       2.778000 1.040000       1.627000      0.8087000       1.151000       1.317000
  1 1 1      15   36    9 o    2.155000      0.6941000       2.262000 0.9892000       2.048000      0.9738000      0.2138000       1.388000
  1 1 1      15   36   10 o    2.010000      0.6686000       1.937000 0.9092000       2.082000      0.9805000     -0.1450000       1.337000
  1 1 1      15   37    0 o    2.002000      0.6538000       2.140000 0.9644000       1.865000      0.8830000      0.2756000       1.308000
  1 1 1      15   37    1 o    4.086000      0.7469000       3.826000 1.087000       4.346000       1.025000     -0.5208000       1.494000
  1 1 1      15   37    2 o    5.249000      0.6457000       4.641000 0.9705000       5.858000      0.8520000      -1.217000       1.291000
  1 1 1      15   37    3 o    3.543000      0.8021000       3.911000 1.095000       3.174000       1.173000      0.7371000       1.604000
  1 1 1      15   37    4 o    2.922000      0.7899000       3.245000 1.127000       2.599000       1.107000      0.6466000       1.580000
  1 1 1      15   37    5 o    2.658000       1.201000                  ?       ?   2.658000       1.201000                  ?              ?
  1 1 1      16  -23    0 o    3.827000      0.6837000       4.292000 0.8846000       3.363000       1.043000      0.9288000       1.367000
  1 1 1      16  -23    1 o    2.391000      0.6860000       2.625000 0.9954000       2.156000      0.9444000      0.4686000       1.372000
  1 1 1      16  -23    2 o    4.066000      0.6448000       5.329000 0.7585000       2.802000       1.043000       2.527000       1.290000
  1 1 1      16  -23    3 o    3.346000      0.7126000       2.607000 0.9665000       4.084000       1.047000      -1.477000       1.425000
  1 1 1      16  -23    4 o    2.555000      0.7135000       2.353000 0.9811000       2.756000       1.036000     -0.4030000       1.427000
  1 1 1      16  -23    5 f    3.032000       1.215000                  ?       ?   3.032000       1.215000                  ?              ?
  1 1 1      16  -22    0 o    2.760000      0.7171000       2.675000 0.9892000       2.845000       1.038000     -0.1701000       1.434000
  1 1 1      16  -22    1 o    3.350000      0.6892000       2.822000 0.9891000       3.877000      0.9600000      -1.055000       1.378000
  1 1 1      16  -22    2 o    2.831000      0.7182000       2.715000 1.016000       2.947000       1.015000     -0.2313000       1.436000
  1 1 1      16  -22    3 o    4.280000      0.6512000       3.643000 0.9418000       4.918000      0.8995000      -1.274000       1.302000
  1 1 1      16  -22    4 o    3.592000      0.7326000       3.503000 1.020000       3.682000       1.052000     -0.1781000       1.465000
  1 1 1      16  -22    5 o    4.084000      0.6771000       3.779000 0.9288000       4.390000      0.9856000     -0.6109000       1.354000
  1 1 1      16  -22    6 o    4.568000      0.6285000       3.757000 0.9918000       5.379000      0.7723000      -1.622000       1.257000
  1 1 1      16  -22    7 o    2.401000      0.7029000       2.520000 0.9894000       2.283000      0.9987000      0.2373000       1.406000
  1 1 1      16  -22    8 o    3.308000      0.7920000       3.369000 1.107000       3.246000       1.133000      0.1230000       1.584000
  1 1 1      16  -22    9 o    2.614000      0.7481000       3.131000 1.166000       2.096000      0.9373000       1.035000       1.496000
  1 1 1      16  -21    0 o    3.893000      0.6349000       4.590000 0.6981000       3.197000       1.061000       1.393000       1.270000
  1 1 1      16  -21    1 o    2.896000      0.6706000       3.558000 0.9398000       2.233000      0.9570000       1.325000       1.341000
  1 1 1      16  -21    2 o    2.502000      0.6892000       2.366000 0.9454000       2.638000       1.003000     -0.2715000       1.378000
  1 1 1      16  -21    3 o    3.076000      0.6657000       2.134000 0.8807000       4.017000      0.9985000      -1.883000       1.331000
  1 1 1      16  -21    4 f    2.489000      0.7049000       2.530000 0.9826000       2.448000       1.011000      0.8117000E-01   1.410000
  1 1 1      16  -21    5 o    2.313000      0.6734000       2.420000 0.9740000       2.206000      0.9301000      0.2145000       1.347000
  1 1 1      16  -21    6 o    3.270000      0.7745000       2.586000 1.040000       3.954000       1.148000      -1.368000       1.549000
  1 1 1      16  -21    7 o    3.809000      0.7842000       3.671000 1.085000       3.948000       1.132000     -0.2764000       1.568000
  1 1 1      16  -21    8 o    4.293000      0.6261000       3.448000 0.9875000       5.138000      0.7700000      -1.689000       1.252000
  1 1 1      16  -21    9 o    3.293000      0.7753000       2.715000 1.035000       3.871000       1.155000      -1.156000       1.551000
  1 1 1      16  -21   10 o    3.813000      0.7107000       4.463000 0.9194000       3.162000       1.084000       1.300000       1.421000
  1 1 1      16  -21   11 o    3.869000      0.9055000       3.860000 1.037000       3.877000       1.485000     -0.1716000E-01   1.811000
  1 1 1      16  -21   12 o    4.907000       1.166000       4.617000 1.693000       5.197000       1.605000     -0.5801000       2.332000
  1 1 1      16  -21   13 o    3.857000       1.551000       3.857000 1.551000                  ?              ?              ?              ?
  1 1 1      16  -20    0 o    5.157000      0.4867000       5.334000 0.5725000       4.980000      0.7872000      0.3536000      0.9734000
  1 1 1      16  -20    1 o    5.161000      0.5113000       4.853000 0.7135000       5.468000      0.7324000     -0.6158000       1.023000
  1 1 1      16  -20    2 o    4.244000      0.7140000       5.027000 0.7423000       3.461000       1.220000       1.566000       1.428000
  1 1 1      16  -20    3 o    4.011000      0.7655000       3.688000 0.9862000       4.334000       1.171000     -0.6463000       1.531000
  1 1 1      16  -20    4 o    7.808000      0.4320000       7.875000 0.4414000       7.741000      0.7428000      0.1332000      0.8641000
  1 1 1      16  -20    5 o    2.352000      0.6580000       2.506000 0.9145000       2.198000      0.9464000      0.3083000       1.316000
  1 1 1      16  -20    6 o    2.789000      0.6591000       1.902000 0.8521000       3.675000       1.006000      -1.772000       1.318000
  1 1 1      16  -20    7 o    3.300000      0.7930000       2.715000 0.9648000       3.886000       1.259000      -1.171000       1.586000
  1 1 1      16  -20    8 o    5.113000      0.9492000       4.622000 1.417000       5.605000       1.263000     -0.9831000       1.898000
  1 1 1      16  -20    9 o    5.879000       1.030000       6.021000 1.492000       5.738000       1.419000      0.2832000       2.059000
  1 1 1      16  -20   10 f    5.214000      0.4888000       5.301000 0.5645000       5.126000      0.7981000      0.1752000      0.9776000
  1 1 1      16  -20   11 o    5.006000      0.5575000       4.805000 0.7576000       5.207000      0.8182000     -0.4019000       1.115000
  1 1 1      16  -20   12 o    7.169000      0.4670000       7.217000 0.5926000       7.120000      0.7220000      0.9642000E-01  0.9341000
  1 1 1      16  -20   13 o    4.777000      0.6167000       5.085000 0.7872000       4.469000      0.9497000      0.6157000       1.233000
  1 1 1      16  -20   14 o    2.110000      0.6589000       2.206000 0.9532000       2.014000      0.9100000      0.1919000       1.318000
  1 1 1      16  -20   15 o    2.539000      0.6974000       1.860000 0.8632000       3.218000       1.096000      -1.357000       1.395000
  1 1 1      16  -19    0 o    8.112000      0.4884000       8.795000 0.5489000       7.428000      0.8080000       1.367000      0.9768000
  1 1 1      16  -19    1 o    5.464000      0.4118000       5.076000 0.5956000       5.852000      0.5688000     -0.7760000      0.8236000
  1 1 1      16  -19    2 o    2.749000      0.6411000       3.018000 0.8424000       2.480000      0.9666000      0.5383000       1.282000
  1 1 1      16  -19    3 o    3.854000      0.6124000       3.850000 0.7663000       3.859000      0.9556000     -0.8440000E-02   1.225000
  1 1 1      16  -19    4 f    4.666000      0.7386000       3.579000 1.164000       5.753000      0.9098000      -2.174000       1.477000
  1 1 1      16  -19    5 o    4.970000      0.7800000       4.559000 1.131000       5.380000       1.075000     -0.8211000       1.560000
  1 1 1      16  -19    6 o    4.657000      0.7425000       4.690000 1.277000       4.624000      0.7577000      0.6554000E-01   1.485000
  1 1 1      16  -19    7 o    3.086000      0.6592000       2.464000 0.9287000       3.708000      0.9357000      -1.245000       1.318000
  1 1 1      16  -19    8 o    5.484000      0.4878000       6.064000 0.5215000       4.904000      0.8245000       1.160000      0.9755000
  1 1 1      16  -19    9 o    3.542000      0.6909000       2.904000 0.9758000       4.181000      0.9782000      -1.277000       1.382000
  1 1 1      16  -19   10 o    10.02000      0.3862000       10.38000 0.4653000       9.669000      0.6165000      0.7093000      0.7724000
  1 1 1      16  -19   11 o    6.556000      0.7250000       7.025000 1.270000       6.088000      0.7006000      0.9362000       1.450000
  1 1 1      16  -19   12 o    7.656000      0.4235000       7.602000 0.5163000       7.710000      0.6714000     -0.1085000      0.8470000
  1 1 1      16  -19   13 o    2.039000      0.6285000       2.244000 0.9268000       1.833000      0.8492000      0.4102000       1.257000
  1 1 1      16  -19   14 o    3.776000      0.6804000       4.147000 0.8824000       3.405000       1.036000      0.7417000       1.361000
  1 1 1      16  -19   15 o    2.231000      0.6667000       2.008000 0.8993000       2.455000      0.9846000     -0.4468000       1.333000
  1 1 1      16  -19   16 o    3.567000      0.7560000       3.813000 1.068000       3.321000       1.070000      0.4920000       1.512000
  1 1 1      16  -19   17 o    3.588000      0.6419000       4.353000 0.8241000       2.823000      0.9845000       1.530000       1.284000
  1 1 1      16  -18    0 o    7.192000      0.3038000       7.243000 0.3997000       7.142000      0.4576000      0.1004000      0.6076000
  1 1 1      16  -18    1 o    8.844000      0.3728000       9.164000 0.5365000       8.524000      0.5177000      0.6394000      0.7456000
  1 1 1      16  -18    2 o    9.593000      0.4074000       9.884000 0.5608000       9.302000      0.5911000      0.5820000      0.8148000
  1 1 1      16  -18    3 o    7.289000      0.3335000       7.271000 0.4206000       7.306000      0.5178000     -0.3564000E-01  0.6671000
  1 1 1      16  -18    4 o    8.770000      0.3019000       8.720000 0.3856000       8.820000      0.4646000     -0.1003000      0.6038000
  1 1 1      16  -18    5 o    5.696000      0.4036000       5.605000 0.5189000       5.788000      0.6183000     -0.1823000      0.8072000
  1 1 1      16  -18    6 o    2.705000      0.6562000       2.477000 0.8723000       2.933000      0.9805000     -0.4560000       1.312000
  1 1 1      16  -18    7 o    3.680000      0.6232000       3.674000 0.7948000       3.687000      0.9601000     -0.1307000E-01   1.246000
  1 1 1      16  -18    8 f    5.786000      0.4153000       6.243000 0.4723000       5.330000      0.6833000      0.9131000      0.8307000
  1 1 1      16  -18    9 o    5.787000      0.4296000       6.069000 0.5310000       5.505000      0.6753000      0.5647000      0.8591000
  1 1 1      16  -18   10 o    7.022000      0.3881000       7.198000 0.5062000       6.847000      0.5883000      0.3511000      0.7761000
  1 1 1      16  -18   11 o    8.483000      0.3726000       7.868000 0.4857000       9.097000      0.5650000      -1.229000      0.7451000
  1 1 1      16  -18   12 o    6.745000      0.4074000       7.025000 0.5144000       6.465000      0.6318000      0.5595000      0.8147000
  1 1 1      16  -18   13 o    3.216000      0.7064000       2.772000 0.9463000       3.661000       1.049000     -0.8883000       1.413000
  1 1 1      16  -18   14 o    2.198000      0.6321000       2.583000 0.9500000       1.813000      0.8343000      0.7708000       1.264000
  1 1 1      16  -18   15 o    5.879000      0.4815000       6.526000 0.5678000       5.233000      0.7778000       1.293000      0.9630000
  1 1 1      16  -18   16 f    6.017000      0.5703000       5.252000 0.8590000       6.783000      0.7504000      -1.531000       1.141000
  1 1 1      16  -18   17 o    2.851000      0.6845000       3.112000 0.9711000       2.590000      0.9649000      0.5221000       1.369000
  1 1 1      16  -18   18 o    2.503000      0.6656000       2.278000 0.9168000       2.729000      0.9653000     -0.4515000       1.331000
  1 1 1      16  -18   19 o    2.860000      0.6334000       2.288000 0.9183000       3.433000      0.8726000      -1.145000       1.267000
  1 1 1      16  -17    0 o    8.462000      0.3135000       8.420000 0.4915000       8.504000      0.3892000     -0.8403000E-01  0.6270000
  1 1 1      16  -17    1 o    11.25000      0.2510000       11.36000 0.3409000       11.14000      0.3684000      0.2246000      0.5020000
  1 1 1      16  -17    2 o    8.886000      0.2655000       9.186000 0.3449000       8.587000      0.4038000      0.5994000      0.5311000
  1 1 1      16  -17    3 o    5.286000      0.4005000       5.411000 0.4837000       5.161000      0.6384000      0.2507000      0.8009000
  1 1 1      16  -17    4 o    5.540000      0.3973000       6.220000 0.4338000       4.859000      0.6658000       1.361000      0.7947000
  1 1 1      16  -17    5 o    3.505000      0.5540000       4.281000 0.6088000       2.729000      0.9258000       1.551000       1.108000
  1 1 1      16  -17    6 o    10.23000      0.3255000       10.44000 0.3427000       10.02000      0.5536000      0.4250000      0.6511000
  1 1 1      16  -17    7 o    9.803000      0.2868000       9.948000 0.3626000       9.658000      0.4446000      0.2896000      0.5737000
  1 1 1      16  -17    8 f    10.67000      0.2868000       10.85000 0.3717000       10.48000      0.4368000      0.3716000      0.5735000
  1 1 1      16  -17    9 o    10.02000      0.3271000       9.808000 0.3827000       10.23000      0.5305000     -0.4250000      0.6541000
  1 1 1      16  -17   10 o    5.121000      0.4783000       5.342000 0.5650000       4.900000      0.7720000      0.4420000      0.9567000
  1 1 1      16  -17   11 o    4.961000      0.4925000       5.078000 0.6136000       4.845000      0.7706000      0.2326000      0.9851000
  1 1 1      16  -17   12 o    4.776000      0.5302000       5.336000 0.6021000       4.216000      0.8729000       1.120000       1.060000
  1 1 1      16  -17   13 o    4.077000      0.5648000       4.196000 0.6510000       3.957000      0.9231000      0.2391000       1.130000
  1 1 1      16  -17   14 o    1.803000      0.5721000       1.565000 0.7225000       2.041000      0.8872000     -0.4762000       1.144000
  1 1 1      16  -17   15 o    3.363000      0.6404000       3.496000 0.8323000       3.229000      0.9735000      0.2668000       1.281000
  1 1 1      16  -17   16 o    3.410000      0.6748000       3.524000 0.8922000       3.295000       1.013000      0.2282000       1.350000
  1 1 1      16  -17   17 o    4.307000      0.5642000       4.986000 0.6583000       3.628000      0.9163000       1.358000       1.128000
  1 1 1      16  -17   18 o    4.852000      0.5224000       5.203000 0.6713000       4.502000      0.8007000      0.7003000       1.045000
  1 1 1      16  -17   19 o    3.407000      0.6294000       4.029000 0.8243000       2.785000      0.9513000       1.244000       1.259000
  1 1 1      16  -17   20 o    2.028000      0.5908000       2.383000 0.9065000       1.673000      0.7577000      0.7096000       1.182000
  1 1 1      16  -17   21 f    3.767000       1.145000       3.767000 1.145000                  ?              ?              ?              ?
  1 1 1      16  -16    0 o    1.849000      0.5135000       2.368000 0.8068000       1.329000      0.6356000       1.039000       1.027000
  1 1 1      16  -16    1 o    2.219000      0.5359000       1.720000 0.7285000       2.719000      0.7861000     -0.9986000       1.072000
  1 1 1      16  -16    2 o    3.311000      0.4825000       3.947000 0.5751000       2.674000      0.7749000       1.273000      0.9650000
  1 1 1      16  -16    3 o    2.051000      0.5528000       2.041000 0.7496000       2.062000      0.8127000     -0.2089000E-01   1.106000
  1 1 1      16  -16    4 o    2.918000      0.5712000       2.500000 0.7788000       3.335000      0.8357000     -0.8350000       1.142000
  1 1 1      16  -16    5 o    5.501000      0.3576000       5.344000 0.4655000       5.657000      0.5431000     -0.3135000      0.7153000
  1 1 1      16  -16    6 o    5.977000      0.3303000       5.817000 0.4241000       6.136000      0.5064000     -0.3193000      0.6606000
  1 1 1      16  -16    7 o    8.200000      0.2722000       8.264000 0.3540000       8.137000      0.4136000      0.1271000      0.5444000
  1 1 1      16  -16    8 o    6.850000      0.3218000       7.350000 0.3912000       6.350000      0.5110000       1.000000      0.6436000
  1 1 1      16  -16    9 o    2.492000      0.6044000       2.655000 0.8065000       2.328000      0.9004000      0.3271000       1.209000
  1 1 1      16  -16   10 o    3.969000      0.5004000       4.187000 0.5484000       3.751000      0.8373000      0.4364000       1.001000
  1 1 1      16  -16   11 o    3.911000      0.5403000       3.501000 0.7420000       4.320000      0.7855000     -0.8187000       1.081000
  1 1 1      16  -16   12 o    2.750000      0.5465000       1.568000 0.7032000       3.933000      0.8367000      -2.366000       1.093000
  1 1 1      16  -16   13 o    2.902000      0.5943000       3.557000 0.7602000       2.248000      0.9138000       1.310000       1.189000
  1 1 1      16  -16   14 o    2.680000      0.6410000       2.611000 0.8694000       2.750000      0.9422000     -0.1390000       1.282000
  1 1 1      16  -16   15 o    10.30000      0.3317000       10.16000 0.4459000       10.43000      0.4911000     -0.2698000      0.6634000
  1 1 1      16  -16   16 o    9.556000      0.3487000       9.925000 0.4549000       9.187000      0.5287000      0.7379000      0.6975000
  1 1 1      16  -16   17 o    3.591000      0.5827000       2.537000 0.9019000       4.646000      0.7380000      -2.109000       1.165000
  1 1 1      16  -16   18 o    4.704000      0.4775000       4.945000 0.6364000       4.463000      0.7120000      0.4815000      0.9549000
  1 1 1      16  -16   19 o    3.528000      0.5998000       3.719000 0.8429000       3.337000      0.8536000      0.3821000       1.200000
  1 1 1      16  -16   20 o    2.648000      0.6204000       2.428000 0.8984000       2.868000      0.8558000     -0.4399000       1.241000
  1 1 1      16  -16   21 o    2.021000      0.5904000       1.874000 0.8199000       2.168000      0.8498000     -0.2932000       1.181000
  1 1 1      16  -16   22 o    1.512000      0.4998000       1.562000 0.7295000       1.463000      0.6835000      0.9943000E-01  0.9996000
  1 1 1      16  -15    0 o    3.836000      0.3945000       3.768000 0.5736000       3.904000      0.5418000     -0.1368000      0.7890000
  1 1 1      16  -15    1 o    2.945000      0.5157000       3.187000 0.6915000       2.703000      0.7653000      0.4843000       1.031000
  1 1 1      16  -15    2 o    3.344000      0.4783000       3.333000 0.6612000       3.355000      0.6913000     -0.2156000E-01  0.9566000
  1 1 1      16  -15    3 f    2.964000      0.5016000       2.729000 0.7314000       3.200000      0.6868000     -0.4716000       1.003000
  1 1 1      16  -15    4 f    2.200000      0.5408000       2.303000 0.7468000       2.097000      0.7824000      0.2057000       1.082000
  1 1 1      16  -15    5 o    3.073000      0.5272000       2.687000 0.7290000       3.460000      0.7618000     -0.7733000       1.054000
  1 1 1      16  -15    6 o    8.098000      0.2669000       8.225000 0.3404000       7.971000      0.4111000      0.2530000      0.5338000
  1 1 1      16  -15    7 f    1.895000      0.5192000       1.210000 0.5813000       2.581000      0.8605000      -1.370000       1.038000
  1 1 1      16  -15    8 o    4.619000      0.4299000       5.340000 0.4526000       3.898000      0.7312000       1.442000      0.8599000
  1 1 1      16  -15    9 o    5.367000      0.3709000       5.904000 0.4368000       4.830000      0.5995000       1.074000      0.7418000
  1 1 1      16  -15   10 o    7.223000      0.3284000       7.047000 0.4040000       7.399000      0.5178000     -0.3526000      0.6568000
  1 1 1      16  -15   11 o    2.876000      0.5910000       2.602000 0.8046000       3.150000      0.8659000     -0.5485000       1.182000
  1 1 1      16  -15   12 o    4.587000      0.4933000       5.368000 0.4923000       3.806000      0.8550000       1.561000      0.9866000
  1 1 1      16  -15   13 o    7.254000      0.3416000       6.865000 0.4219000       7.643000      0.5375000     -0.7775000      0.6833000
  1 1 1      16  -15   14 o    8.071000      0.3308000       8.226000 0.4050000       7.917000      0.5232000      0.3091000      0.6616000
  1 1 1      16  -15   15 o    8.216000      0.3413000       7.728000 0.4556000       8.705000      0.5084000     -0.9767000      0.6826000
  1 1 1      16  -15   16 o    4.010000      0.5562000       4.046000 0.7716000       3.974000      0.8014000      0.7204000E-01   1.112000
  1 1 1      16  -15   17 o    5.980000      0.4291000       6.298000 0.5572000       5.663000      0.6527000      0.6359000      0.8582000
  1 1 1      16  -15   18 o    2.365000      0.6382000       1.948000 0.8453000       2.782000      0.9562000     -0.8345000       1.276000
  1 1 1      16  -15   19 o    3.360000      0.6328000       4.188000 0.8213000       2.532000      0.9630000       1.656000       1.266000
  1 1 1      16  -15   20 o    4.849000      0.5766000       4.247000 0.8570000       5.451000      0.7717000      -1.204000       1.153000
  1 1 1      16  -15   21 o    2.398000      0.6981000       2.660000 1.031000       2.136000      0.9419000      0.5241000       1.396000
  1 1 1      16  -15   22 o    1.797000      0.5324000       2.233000 0.8463000       1.361000      0.6462000      0.8720000       1.065000
  1 1 1      16  -15   23 o    1.464000      0.4847000       1.394000 0.6640000       1.533000      0.7063000     -0.1392000      0.9694000
  1 1 1      16  -14    0 o    3.822000      0.3846000       3.714000 0.5611000       3.931000      0.5262000     -0.2177000      0.7692000
  1 1 1      16  -14    1 o    5.858000      0.2715000       5.492000 0.4021000       6.224000      0.3649000     -0.7317000      0.5430000
  1 1 1      16  -14    2 o    3.619000      0.4341000       2.953000 0.6972000       4.284000      0.5172000      -1.331000      0.8681000
  1 1 1      16  -14    3 o    3.600000      0.4212000       3.737000 0.5460000       3.462000      0.6414000      0.2751000      0.8423000
  1 1 1      16  -14    4 o    4.942000      0.3075000       4.966000 0.4228000       4.918000      0.4466000      0.4801000E-01  0.6150000
  1 1 1      16  -14    5 o    7.386000      0.2435000       7.178000 0.3281000       7.595000      0.3598000     -0.4172000      0.4869000
  1 1 1      16  -14    6 o    8.678000      0.2450000       8.597000 0.3200000       8.760000      0.3710000     -0.1632000      0.4899000
  1 1 1      16  -14    7 o    6.389000      0.2839000       6.301000 0.3596000       6.478000      0.4393000     -0.1766000      0.5677000
  1 1 1      16  -14    8 o    6.785000      0.2834000       7.125000 0.3447000       6.445000      0.4500000      0.6795000      0.5668000
  1 1 1      16  -14    9 o    9.235000      0.2639000       9.521000 0.3290000       8.949000      0.4126000      0.5716000      0.5277000
  1 1 1      16  -14   10 o    5.053000      0.4151000       5.826000 0.3982000       4.280000      0.7284000       1.546000      0.8302000
  1 1 1      16  -14   11 o    2.042000      0.5435000       2.308000 0.7661000       1.776000      0.7712000      0.5322000       1.087000
  1 1 1      16  -14   12 o    4.333000      0.4555000       4.256000 0.5677000       4.411000      0.7124000     -0.1545000      0.9109000
  1 1 1      16  -14   13 o    7.406000      0.3316000       7.287000 0.4334000       7.524000      0.5019000     -0.2374000      0.6631000
  1 1 1      16  -14   14 o    8.876000      0.3140000       8.924000 0.4086000       8.827000      0.4768000      0.9691000E-01  0.6279000
  1 1 1      16  -14   15 o    5.656000      0.4001000       5.556000 0.5019000       5.755000      0.6231000     -0.1992000      0.8001000
  1 1 1      16  -14   16 o    9.712000      0.3162000       9.780000 0.4126000       9.644000      0.4791000      0.1359000      0.6323000
  1 1 1      16  -14   17 o    3.571000      0.6084000       4.017000 0.7557000       3.124000      0.9538000      0.8931000       1.217000
  1 1 1      16  -14   18 o    5.080000      0.4224000       4.731000 0.5551000       5.428000      0.6368000     -0.6968000      0.8448000
  1 1 1      16  -14   19 o    3.453000      0.5301000       4.177000 0.5963000       2.729000      0.8766000       1.448000       1.060000
  1 1 1      16  -14   20 o    3.519000      0.6785000       3.098000 0.9951000       3.940000      0.9227000     -0.8423000       1.357000
  1 1 1      16  -14   21 o    2.602000      0.6754000       2.964000 1.017000       2.239000      0.8894000      0.7256000       1.351000
  1 1 1      16  -14   22 o    2.277000      0.6340000       2.479000 0.9384000       2.075000      0.8529000      0.4032000       1.268000
  1 1 1      16  -14   23 o    4.932000      0.4804000       4.801000 0.7463000       5.062000      0.6051000     -0.2608000      0.9608000
  1 1 1      16  -14   24 o    5.951000      0.4575000       5.336000 0.7651000       6.566000      0.5019000      -1.231000      0.9150000
  1 1 1      16  -13    0 o    3.686000      0.3755000       3.865000 0.5443000       3.507000      0.5175000      0.3582000      0.7510000
  1 1 1      16  -13    1 f    5.492000      0.2765000       5.395000 0.4114000       5.589000      0.3694000     -0.1934000      0.5529000
  1 1 1      16  -13    2 o    7.913000      0.2324000       8.403000 0.3151000       7.423000      0.3417000      0.9800000      0.4649000
  1 1 1      16  -13    3 o    10.42000      0.2247000       10.81000 0.3096000       10.03000      0.3256000      0.7854000      0.4493000
  1 1 1      16  -13    4 f    8.806000      0.2219000       8.838000 0.3050000       8.773000      0.3223000      0.6570000E-01  0.4437000
  1 1 1      16  -13    5 o    6.648000      0.2367000       6.577000 0.3219000       6.718000      0.3472000     -0.1411000      0.4735000
  1 1 1      16  -13    6 o    5.219000      0.2876000       5.311000 0.3698000       5.128000      0.4406000      0.1832000      0.5752000
  1 1 1      16  -13    7 o    10.77000      0.2339000       11.00000 0.3092000       10.55000      0.3511000      0.4448000      0.4678000
  1 1 1      16  -13    8 o    7.704000      0.2494000       7.803000 0.3276000       7.605000      0.3762000      0.1974000      0.4988000
  1 1 1      16  -13    9 o    3.810000      0.5527000       3.716000 0.6858000       3.903000      0.8668000     -0.1874000       1.105000
  1 1 1      16  -13   10 o    6.084000      0.3715000       6.537000 0.4372000       5.631000      0.6006000      0.9056000      0.7429000
  1 1 1      16  -13   11 o    7.585000      0.3140000       7.717000 0.4061000       7.452000      0.4791000      0.2653000      0.6280000
  1 1 1      16  -13   12 o    3.981000      0.4726000       4.464000 0.5114000       3.497000      0.7950000      0.9666000      0.9453000
  1 1 1      16  -13   13 o    8.229000      0.2842000       8.427000 0.3754000       8.030000      0.4269000      0.3969000      0.5685000
  1 1 1      16  -13   14 o    4.174000      0.4467000       4.124000 0.5679000       4.224000      0.6896000     -0.1005000      0.8934000
  1 1 1      16  -13   15 o    4.491000       1.078000       4.838000 1.614000       4.143000       1.428000      0.6941000       2.155000
  1 1 1      16  -13   16 o    4.476000      0.9456000       4.735000 1.368000       4.217000       1.306000      0.5182000       1.891000
  1 1 1      16  -13   17 o    6.167000      0.8018000       6.890000 1.022000       5.444000       1.236000       1.446000       1.604000
  1 1 1      16  -13   18 o    3.236000      0.7918000       3.594000 1.165000       2.879000       1.072000      0.7146000       1.584000
  1 1 1      16  -13   19 o    2.056000      0.5301000       1.456000 0.6663000       2.657000      0.8246000      -1.201000       1.060000
  1 1 1      16  -13   20 o    4.675000      0.3501000       4.813000 0.4517000       4.536000      0.5349000      0.2764000      0.7001000
  1 1 1      16  -13   21 o    7.952000      0.2435000       7.833000 0.3402000       8.071000      0.3486000     -0.2377000      0.4871000
  1 1 1      16  -13   22 o    5.893000      0.2893000       5.971000 0.4189000       5.816000      0.3991000      0.1556000      0.5786000
  1 1 1      16  -13   23 o    3.652000      0.4610000       3.632000 0.6869000       3.672000      0.6149000     -0.3972000E-01  0.9219000
  1 1 1      16  -13   24 o    2.295000      0.5497000       1.844000 0.7850000       2.746000      0.7696000     -0.9028000       1.099000
  1 1 1      16  -13   25 o    7.919000      0.3057000       7.354000 0.4152000       8.483000      0.4488000      -1.129000      0.6114000
  1 1 1      16  -12    0 o    6.975000      0.2402000       7.073000 0.3371000       6.877000      0.3422000      0.1956000      0.4804000
  1 1 1      16  -12    1 o    6.751000      0.2376000       6.776000 0.3383000       6.726000      0.3338000      0.4987000E-01  0.4752000
  1 1 1      16  -12    2 o    10.05000      0.2186000       10.39000 0.3019000       9.697000      0.3163000      0.6968000      0.4372000
  1 1 1      16  -12    3 o    7.313000      0.2251000       7.401000 0.3197000       7.224000      0.3171000      0.1768000      0.4503000
  1 1 1      16  -12    4 o    10.46000      0.2159000       10.36000 0.2995000       10.56000      0.3110000     -0.2059000      0.4318000
  1 1 1      16  -12    5 o    4.051000      0.3379000       4.657000 0.4054000       3.444000      0.5406000       1.212000      0.6757000
  1 1 1      16  -12    6 o    9.716000      0.3226000       9.683000 0.4248000       9.748000      0.4855000     -0.6457000E-01  0.6451000
  1 1 1      16  -12    7 o    5.559000      0.4005000       5.375000 0.5348000       5.742000      0.5962000     -0.3670000      0.8009000
  1 1 1      16  -12    8 o    8.693000      0.3288000       9.118000 0.4176000       8.268000      0.5079000      0.8509000      0.6575000
  1 1 1      16  -12    9 o    9.646000      0.2269000       9.930000 0.3032000       9.362000      0.3375000      0.5678000      0.4537000
  1 1 1      16  -12   10 o    3.822000      0.4359000       3.712000 0.5506000       3.932000      0.6758000     -0.2203000      0.8717000
  1 1 1      16  -12   11 o    3.165000      0.8607000       3.342000 1.161000       2.987000       1.271000      0.3553000       1.721000
  1 1 1      16  -12   12 f    3.946000      0.8868000       3.486000 1.191000       4.406000       1.314000     -0.9201000       1.774000
  1 1 1      16  -12   13 f    3.865000      0.9154000       4.843000 1.403000       2.888000       1.176000       1.954000       1.831000
  1 1 1      16  -12   14 o    2.529000      0.5629000       2.216000 0.7762000       2.842000      0.8154000     -0.6255000       1.126000
  1 1 1      16  -12   15 o    6.616000      0.3157000       6.305000 0.4037000       6.926000      0.4855000     -0.6212000      0.6314000
  1 1 1      16  -12   16 o    3.453000      0.4901000       3.736000 0.5615000       3.171000      0.8036000      0.5650000      0.9803000
  1 1 1      16  -12   17 o    5.096000      0.3460000       4.589000 0.5037000       5.603000      0.4744000      -1.015000      0.6919000
  1 1 1      16  -12   18 o    2.081000      0.5415000       2.067000 0.7490000       2.095000      0.7822000     -0.2825000E-01   1.083000
  1 1 1      16  -12   19 f    4.091000      0.4064000       4.111000 0.5632000       4.071000      0.5861000      0.3953000E-01  0.8128000
  1 1 1      16  -12   20 o    1.788000      0.4990000       1.611000 0.6737000       1.965000      0.7362000     -0.3543000      0.9979000
  1 1 1      16  -12   21 o    4.871000      0.3072000       4.487000 0.4595000       5.256000      0.4078000     -0.7687000      0.6143000
  1 1 1      16  -12   22 o    5.387000      0.2780000       5.540000 0.3820000       5.234000      0.4039000      0.3062000      0.5559000
  1 1 1      16  -12   23 o    2.517000      0.5335000       2.177000 0.7803000       2.858000      0.7278000     -0.6810000       1.067000
  1 1 1      16  -12   24 o    2.101000      0.5304000       2.527000 0.7910000       1.674000      0.7070000      0.8524000       1.061000
  1 1 1      16  -12   25 o    3.366000      0.4904000       3.269000 0.7475000       3.463000      0.6349000     -0.1947000      0.9807000
  1 1 1      16  -12   26 f    5.992000      0.3276000       5.723000 0.5029000       6.262000      0.4200000     -0.5389000      0.6552000
  1 1 1      16  -11    0 o    12.10000      0.2354000       12.13000 0.3266000       12.07000      0.3391000      0.6276000E-01  0.4708000
  1 1 1      16  -11    1 o    10.03000      0.2160000       10.07000 0.3067000       9.995000      0.3043000      0.7432000E-01  0.4320000
  1 1 1      16  -11    2 o    3.632000      0.3421000       3.379000 0.5277000       3.884000      0.4356000     -0.5049000      0.6843000
  1 1 1      16  -11    3 o    4.729000      0.2801000       4.771000 0.3997000       4.687000      0.3926000      0.8328000E-01  0.5603000
  1 1 1      16  -11    4 o    4.037000      0.5560000       4.647000 0.5712000       3.427000      0.9541000       1.220000       1.112000
  1 1 1      16  -11    5 o    10.55000      0.3262000       10.54000 0.4264000       10.56000      0.4939000     -0.1601000E-01  0.6525000
  1 1 1      16  -11    6 o    11.48000      0.2146000       11.63000 0.2979000       11.32000      0.3088000      0.3157000      0.4291000
  1 1 1      16  -11    7 f    1.819000      0.4699000       1.548000 0.6318000       2.090000      0.6959000     -0.5416000      0.9399000
  1 1 1      16  -11    8 o    13.63000      0.3164000       13.30000 0.4417000       13.95000      0.4532000     -0.6565000      0.6328000
  1 1 1      16  -11    9 o    10.26000      0.3111000       10.22000 0.4289000       10.30000      0.4508000     -0.7702000E-01  0.6223000
  1 1 1      16  -11   10 o    13.34000      0.3343000       13.46000 0.4585000       13.22000      0.4866000      0.2484000      0.6686000
  1 1 1      16  -11   11 o    7.138000      0.2686000       7.272000 0.3288000       7.003000      0.4249000      0.2691000      0.5373000
  1 1 1      16  -11   12 o    8.487000      0.2558000       8.773000 0.3210000       8.200000      0.3985000      0.5737000      0.5117000
  1 1 1      16  -11   13 o    8.842000      0.2786000       8.706000 0.3399000       8.977000      0.4415000     -0.2708000      0.5572000
  1 1 1      16  -11   14 o    2.514000      0.5400000       2.837000 0.7205000       2.190000      0.8044000      0.6467000       1.080000
  1 1 1      16  -11   15 o    4.160000      0.3923000       4.120000 0.4882000       4.199000      0.6143000     -0.7930000E-01  0.7847000
  1 1 1      16  -11   16 o    1.786000      0.5144000       1.760000 0.7061000       1.812000      0.7483000     -0.5125000E-01   1.029000
  1 1 1      16  -11   17 o    5.279000      0.3376000       5.907000 0.3927000       4.651000      0.5492000       1.256000      0.6752000
  1 1 1      16  -11   18 f    4.582000      0.3496000       4.480000 0.4729000       4.684000      0.5149000     -0.2039000      0.6991000
  1 1 1      16  -11   19 o    4.040000      0.3794000       4.250000 0.4797000       3.830000      0.5880000      0.4197000      0.7589000
  1 1 1      16  -11   20 o    1.444000      0.4466000       1.214000 0.5641000       1.674000      0.6925000     -0.4598000      0.8931000
  1 1 1      16  -11   21 o    1.532000      0.4525000       1.233000 0.5741000       1.832000      0.6995000     -0.5990000      0.9049000
  1 1 1      16  -11   22 o    5.035000      0.2553000       5.100000 0.3552000       4.969000      0.3667000      0.1310000      0.5105000
  1 1 1      16  -11   23 o    4.568000      0.3117000       4.899000 0.4239000       4.237000      0.4572000      0.6614000      0.6235000
  1 1 1      16  -11   24 o    2.254000      0.5183000       2.749000 0.7712000       1.760000      0.6926000      0.9893000       1.037000
  1 1 1      16  -11   25 o    5.370000      0.2988000       5.282000 0.4744000       5.457000      0.3634000     -0.1748000      0.5975000
  1 1 1      16  -11   26 o    2.018000      0.7913000       2.018000 0.7913000                  ?              ?              ?              ?
  1 1 1      16  -11   27 o    2.455000      0.5209000       1.595000 0.7305000       3.315000      0.7427000      -1.720000       1.042000
  1 1 1      16  -10    0 o    8.257000      0.2210000       8.288000 0.3055000       8.226000      0.3195000      0.6259000E-01  0.4420000
  1 1 1      16  -10    1 o    10.02000      0.2689000       10.33000 0.4448000       9.711000      0.3024000      0.6183000      0.5379000
  1 1 1      16  -10    2 o    9.397000      0.3277000       9.554000 0.4199000       9.240000      0.5031000      0.3143000      0.6554000
  1 1 1      16  -10    3 o    3.353000      0.3139000       3.236000 0.4956000       3.471000      0.3853000     -0.2342000      0.6278000
  1 1 1      16  -10    4 o    7.008000      0.2129000       6.758000 0.2985000       7.258000      0.3037000     -0.5000000      0.4258000
  1 1 1      16  -10    5 o    2.955000      0.3799000       2.997000 0.5392000       2.914000      0.5352000      0.8280000E-01  0.7597000
  1 1 1      16  -10    6 o    17.39000      0.3604000       17.57000 0.5170000       17.21000      0.5021000      0.3647000      0.7207000
  1 1 1      16  -10    7 o    3.204000      0.4534000       3.450000 0.6248000       2.959000      0.6573000      0.4907000      0.9069000
  1 1 1      16  -10    8 o    10.44000      0.2020000       10.55000 0.2813000       10.33000      0.2901000      0.2191000      0.4041000
  1 1 1      16  -10    9 o    4.458000      0.2941000       4.366000 0.3832000       4.550000      0.4463000     -0.1849000      0.5882000
  1 1 1      16  -10   10 o    9.602000      0.2118000       9.640000 0.2848000       9.563000      0.3135000      0.7717000E-01  0.4235000
  1 1 1      16  -10   11 o    4.367000      0.3399000       4.624000 0.3862000       4.110000      0.5594000      0.5145000      0.6797000
  1 1 1      16  -10   12 o    3.338000      0.4788000       3.510000 0.5289000       3.166000      0.7983000      0.3438000      0.9576000
  1 1 1      16  -10   13 o    10.30000      0.2423000       10.43000 0.3157000       10.18000      0.3677000      0.2470000      0.4846000
  1 1 1      16  -10   14 o    5.267000      0.3093000       5.041000 0.4142000       5.492000      0.4594000     -0.4517000      0.6186000
  1 1 1      16  -10   15 o    10.44000      0.2740000       10.07000 0.3581000       10.82000      0.4148000     -0.7474000      0.5480000
  1 1 1      16  -10   16 o    2.144000      0.5254000       2.360000 0.7200000       1.928000      0.7654000      0.4325000       1.051000
  1 1 1      16  -10   17 o    6.786000      0.2755000       7.013000 0.3417000       6.560000      0.4323000      0.4527000      0.5511000
  1 1 1      16  -10   18 o    2.692000      0.4835000       1.931000 0.7014000       3.452000      0.6655000      -1.521000      0.9669000
  1 1 1      16  -10   19 o    3.379000      0.4276000       3.261000 0.5854000       3.496000      0.6234000     -0.2353000      0.8551000
  1 1 1      16  -10   20 o    3.944000      0.3067000       4.057000 0.3903000       3.830000      0.4731000      0.2268000      0.6133000
  1 1 1      16  -10   21 o    3.088000      0.3768000       3.284000 0.4612000       2.892000      0.5960000      0.3926000      0.7536000
  1 1 1      16  -10   22 o    2.177000      0.4555000       2.169000 0.6366000       2.184000      0.6515000     -0.1524000E-01  0.9109000
  1 1 1      16  -10   23 o    8.585000      0.1987000       8.663000 0.2913000       8.506000      0.2703000      0.1571000      0.3974000
  1 1 1      16  -10   24 o    2.208000      0.4975000       2.384000 0.7364000       2.033000      0.6693000      0.3513000      0.9951000
  1 1 1      16  -10   25 o    4.684000      0.3218000       4.208000 0.5092000       5.160000      0.3936000     -0.9515000      0.6436000
  1 1 1      16  -10   26 o    3.848000      0.3956000       3.764000 0.6426000       3.932000      0.4615000     -0.1681000      0.7912000
  1 1 1      16  -10   27 o    1.652000      0.5074000       1.800000 0.7670000       1.503000      0.6645000      0.2970000       1.015000
  1 1 1      16  -10   28 o    2.416000      0.5446000       2.735000 0.7807000       2.097000      0.7595000      0.6380000       1.089000
  1 1 1      16   -9    0 o    7.860000      0.5442000                  ?       ?   7.860000      0.5442000                  ?              ?
  1 1 1      16   -9    1 o    11.30000      0.2204000       11.41000 0.3161000       11.20000      0.3071000      0.2049000      0.4407000
  1 1 1      16   -9    2 o    11.72000      0.2174000       11.59000 0.3076000       11.85000      0.3074000     -0.2585000      0.4349000
  1 1 1      16   -9    3 o    13.49000      0.2680000       13.22000 0.3192000       13.77000      0.4306000     -0.5500000      0.5360000
  1 1 1      16   -9    4 o    6.813000      0.2747000       6.336000 0.4273000       7.290000      0.3454000     -0.9536000      0.5495000
  1 1 1      16   -9    5 o    4.206000      0.3380000       3.950000 0.5312000       4.463000      0.4181000     -0.5131000      0.6760000
  1 1 1      16   -9    6 o    12.37000      0.2112000       12.28000 0.2944000       12.46000      0.3030000     -0.1737000      0.4225000
  1 1 1      16   -9    7 o    15.30000      0.2371000       15.42000 0.3342000       15.19000      0.3366000      0.2284000      0.4743000
  1 1 1      16   -9    8 o    4.243000      0.2669000       3.916000 0.3896000       4.571000      0.3649000     -0.6551000      0.5338000
  1 1 1      16   -9    9 o    11.61000      0.2057000       11.91000 0.2867000       11.31000      0.2951000      0.6056000      0.4115000
  1 1 1      16   -9   10 o    10.14000      0.2042000       9.923000 0.2729000       10.35000      0.3039000     -0.4260000      0.4085000
  1 1 1      16   -9   11 f    1.825000      0.4650000       2.020000 0.6314000       1.631000      0.6828000      0.3891000      0.9300000
  1 1 1      16   -9   12 o    12.68000      0.2291000       12.43000 0.3011000       12.93000      0.3453000     -0.5005000      0.4582000
  1 1 1      16   -9   13 o    8.510000      0.2385000       8.455000 0.2983000       8.565000      0.3723000     -0.1099000      0.4771000
  1 1 1      16   -9   14 o    3.541000      0.4419000       3.145000 0.5974000       3.937000      0.6514000     -0.7913000      0.8839000
  1 1 1      16   -9   15 o    15.83000      0.3088000       16.07000 0.3834000       15.59000      0.4843000      0.4846000      0.6177000
  1 1 1      16   -9   16 o    5.973000      0.3044000       5.903000 0.3865000       6.043000      0.4703000     -0.1396000      0.6087000
  1 1 1      16   -9   17 o    4.287000      0.3523000       4.533000 0.4337000       4.042000      0.5552000      0.4908000      0.7045000
  1 1 1      16   -9   18 o    3.273000      0.4269000       3.019000 0.5988000       3.527000      0.6086000     -0.5081000      0.8538000
  1 1 1      16   -9   19 f    2.894000      0.4519000       2.624000 0.6254000       3.165000      0.6525000     -0.5408000      0.9038000
  1 1 1      16   -9   20 o    4.511000      0.2681000       4.865000 0.3249000       4.157000      0.4267000      0.7081000      0.5363000
  1 1 1      16   -9   21 o    6.585000      0.1932000       6.672000 0.2599000       6.497000      0.2861000      0.1746000      0.3865000
  1 1 1      16   -9   22 o    6.711000      0.1842000       6.705000 0.2575000       6.716000      0.2634000     -0.1026000E-01  0.3684000
  1 1 1      16   -9   23 o    5.819000      0.2072000       5.959000 0.3043000       5.679000      0.2812000      0.2801000      0.4143000
  1 1 1      16   -9   24 o    7.055000      0.2078000       7.083000 0.3055000       7.027000      0.2817000      0.5583000E-01  0.4156000
  1 1 1      16   -9   25 o    4.677000      0.2839000       4.605000 0.4261000       4.749000      0.3752000     -0.1440000      0.5677000
  1 1 1      16   -9   26 o    2.791000      0.5088000       2.969000 0.7313000       2.612000      0.7075000      0.3568000       1.018000
  1 1 1      16   -9   27 o    1.917000      0.5293000       1.834000 0.7625000       1.999000      0.7344000     -0.1655000       1.059000
  1 1 1      16   -9   28 o    1.882000      0.5252000       1.692000 0.7441000       2.072000      0.7413000     -0.3800000       1.050000
  1 1 1      16   -9   29 o    3.299000      0.5099000       3.023000 0.8243000       3.575000      0.6004000     -0.5527000       1.020000
  1 1 1      16   -8    0 o    4.708000      0.2699000       4.817000 0.3588000       4.599000      0.4033000      0.2174000      0.5398000
  1 1 1      16   -8    1 o    8.889000      0.2084000       8.914000 0.3011000       8.863000      0.2882000      0.5074000E-01  0.4168000
  1 1 1      16   -8    2 o    12.37000      0.3003000       12.46000 0.4408000       12.29000      0.4080000      0.1767000      0.6006000
  1 1 1      16   -8    3 o    6.624000      0.2608000       6.778000 0.4202000       6.470000      0.3091000      0.3081000      0.5216000
  1 1 1      16   -8    4 o    6.577000      0.2068000       6.699000 0.2801000       6.456000      0.3045000      0.2431000      0.4137000
  1 1 1      16   -8    5 o    6.506000      0.1982000       6.624000 0.2797000       6.388000      0.2809000      0.2361000      0.3964000
  1 1 1      16   -8    6 o    4.888000      0.2268000       4.987000 0.3252000       4.790000      0.3161000      0.1973000      0.4535000
  1 1 1      16   -8    7 o    13.20000      0.2148000       13.29000 0.3037000       13.10000      0.3039000      0.1993000      0.4297000
  1 1 1      16   -8    8 o    14.23000      0.2237000       14.11000 0.3119000       14.35000      0.3208000     -0.2421000      0.4474000
  1 1 1      16   -8    9 o    7.227000      0.1873000       7.288000 0.2539000       7.166000      0.2755000      0.1214000      0.3746000
  1 1 1      16   -8   10 o    6.919000      0.1893000       6.797000 0.2599000       7.041000      0.2753000     -0.2433000      0.3786000
  1 1 1      16   -8   11 o    11.92000      0.2101000       11.78000 0.2806000       12.06000      0.3127000     -0.2761000      0.4201000
  1 1 1      16   -8   12 o    8.725000      0.1994000       8.936000 0.2600000       8.514000      0.3025000      0.4223000      0.3989000
  1 1 1      16   -8   13 o    5.726000      0.2830000       5.691000 0.3388000       5.760000      0.4534000     -0.6958000E-01  0.5660000
  1 1 1      16   -8   14 o    9.270000      0.2535000       9.793000 0.2899000       8.746000      0.4158000       1.047000      0.5069000
  1 1 1      16   -8   15 o    12.00000      0.2599000       12.39000 0.3365000       11.60000      0.3962000      0.7830000      0.5198000
  1 1 1      16   -8   16 o    6.401000      0.2669000       6.749000 0.3412000       6.053000      0.4106000      0.6955000      0.5339000
  1 1 1      16   -8   17 o    2.260000      0.4931000       2.433000 0.6472000       2.086000      0.7442000      0.3465000      0.9863000
  1 1 1      16   -8   18 o    5.752000      0.2715000       5.820000 0.3654000       5.683000      0.4016000      0.1374000      0.5430000
  1 1 1      16   -8   19 o    6.856000      0.2194000       6.349000 0.2971000       7.364000      0.3230000      -1.015000      0.4389000
  1 1 1      16   -8   20 f    3.112000      0.3464000       3.348000 0.4168000       2.875000      0.5535000      0.4732000      0.6929000
  1 1 1      16   -8   21 o    3.527000      0.2701000       3.534000 0.3739000       3.521000      0.3898000      0.1264000E-01  0.5402000
  1 1 1      16   -8   22 o    2.932000      0.3064000       3.049000 0.4114000       2.815000      0.4542000      0.2335000      0.6128000
  1 1 1      16   -8   23 o    4.517000      0.2238000       4.647000 0.3292000       4.388000      0.3031000      0.2595000      0.4475000
  1 1 1      16   -8   24 o    7.909000      0.1863000       7.819000 0.2803000       7.999000      0.2455000     -0.1797000      0.3726000
  1 1 1      16   -8   25 o    5.827000      0.2341000       5.611000 0.3579000       6.043000      0.3017000     -0.4321000      0.4681000
  1 1 1      16   -8   26 o    7.413000      0.2172000       6.977000 0.3292000       7.848000      0.2834000     -0.8714000      0.4344000
  1 1 1      16   -8   27 o    3.749000      0.3959000       3.786000 0.6472000       3.713000      0.4563000      0.7319000E-01  0.7919000
  1 1 1      16   -8   28 o    3.060000      0.4656000       2.068000 0.7854000       4.052000      0.5004000      -1.984000      0.9313000
  1 1 1      16   -8   29 o    5.110000      0.3627000       4.387000 0.6221000       5.834000      0.3731000      -1.446000      0.7254000
  1 1 1      16   -8   30 o    2.143000      0.8747000       2.143000 0.8747000                  ?              ?              ?              ?
  1 1 1      16   -7    0 o    6.796000      0.3045000       6.904000 0.4683000       6.688000      0.3892000      0.2157000      0.6089000
  1 1 1      16   -7    1 o    3.651000      0.4441000       3.789000 0.7050000       3.513000      0.5402000      0.2757000      0.8882000
  1 1 1      16   -7    2 o    5.926000      0.2241000       6.122000 0.3159000       5.731000      0.3179000      0.3918000      0.4482000
  1 1 1      16   -7    3 o    11.61000      0.2108000       11.53000 0.2949000       11.70000      0.3013000     -0.1699000      0.4216000
  1 1 1      16   -7    4 o    7.794000      0.1976000       7.838000 0.2814000       7.751000      0.2775000      0.8748000E-01  0.3952000
  1 1 1      16   -7    5 o    3.449000      0.2913000       3.356000 0.4335000       3.543000      0.3893000     -0.1877000      0.5827000
  1 1 1      16   -7    6 o    11.32000      0.2014000       11.48000 0.2882000       11.16000      0.2815000      0.3179000      0.4029000
  1 1 1      16   -7    7 o    10.08000      0.1908000       10.23000 0.2676000       9.930000      0.2719000      0.2987000      0.3815000
  1 1 1      16   -7    8 o    4.698000      0.2151000       4.837000 0.3003000       4.559000      0.3080000      0.2775000      0.4302000
  1 1 1      16   -7    9 o    5.820000      0.1896000       5.803000 0.2641000       5.837000      0.2720000     -0.3375000E-01  0.3791000
  1 1 1      16   -7   10 o    6.237000      0.1879000       6.140000 0.2587000       6.334000      0.2725000     -0.1940000      0.3758000
  1 1 1      16   -7   11 o    2.848000      0.3493000       2.954000 0.4404000       2.741000      0.5423000      0.2125000      0.6986000
  1 1 1      16   -7   12 o    5.444000      0.2251000       5.566000 0.2813000       5.321000      0.3514000      0.2443000      0.4501000
  1 1 1      16   -7   13 o    6.903000      0.2211000       7.138000 0.2675000       6.669000      0.3521000      0.4693000      0.4422000
  1 1 1      16   -7   14 o    5.842000      0.2627000       5.571000 0.3261000       6.113000      0.4120000     -0.5422000      0.5255000
  1 1 1      16   -7   15 o    17.63000      0.2925000       17.77000 0.3880000       17.49000      0.4377000      0.2836000      0.5850000
  1 1 1      16   -7   16 o    11.90000      0.2826000       11.88000 0.3853000       11.93000      0.4135000     -0.4526000E-01  0.5652000
  1 1 1      16   -7   17 f    3.421000      0.3823000       3.099000 0.5326000       3.742000      0.5485000     -0.6427000      0.7645000
  1 1 1      16   -7   18 o    7.825000      0.2503000       7.558000 0.3261000       8.092000      0.3799000     -0.5343000      0.5007000
  1 1 1      16   -7   19 o    6.054000      0.2256000       5.937000 0.2863000       6.172000      0.3486000     -0.2351000      0.4511000
  1 1 1      16   -7   20 o    1.724000      0.4144000       1.978000 0.5798000       1.470000      0.5921000      0.5080000      0.8287000
  1 1 1      16   -7   21 o    2.887000      0.4470000       2.989000 0.5592000       2.785000      0.6976000      0.2040000      0.8940000
  1 1 1      16   -7   22 o    7.367000      0.2591000       7.385000 0.3562000       7.350000      0.3764000      0.3494000E-01  0.5182000
  1 1 1      16   -7   23 o    1.413000      0.4514000       1.316000 0.6055000       1.511000      0.6697000     -0.1944000      0.9028000
  1 1 1      16   -7   24 f    4.676000      0.3614000       4.751000 0.5207000       4.602000      0.5012000      0.1486000      0.7227000
  1 1 1      16   -7   25 o    9.020000      0.2916000       9.397000 0.4111000       8.644000      0.4136000      0.7529000      0.5832000
  1 1 1      16   -7   26 o    2.070000      0.5918000       2.103000 0.8376000       2.037000      0.8364000      0.6607000E-01   1.184000
  1 1 1      16   -7   27 o    6.983000      0.3315000       6.983000 0.3315000                  ?              ?              ?              ?
  1 1 1      16   -7   28 o    1.371000      0.4271000       1.169000 0.5660000       1.572000      0.6397000     -0.4029000      0.8542000
  1 1 1      16   -7   29 o    1.569000      0.6537000                  ?       ?   1.569000      0.6537000                  ?              ?
  1 1 1      16   -7   30 o    1.847000      0.5089000       2.180000 0.7836000       1.515000      0.6495000      0.6642000       1.018000
  1 1 1      16   -6    0 f    6.415000      0.2325000       6.483000 0.3245000       6.346000      0.3331000      0.1375000      0.4650000
  1 1 1      16   -6    1 o    10.58000      0.2113000       10.25000 0.2966000       10.91000      0.3009000     -0.6593000      0.4225000
  1 1 1      16   -6    2 o    7.566000      0.2078000       7.511000 0.2983000       7.621000      0.2895000     -0.1098000      0.4156000
  1 1 1      16   -6    3 o    12.55000      0.2171000       12.98000 0.3120000       12.11000      0.3019000      0.8618000      0.4342000
  1 1 1      16   -6    4 o    9.018000      0.1956000       9.105000 0.2804000       8.931000      0.2728000      0.1742000      0.3912000
  1 1 1      16   -6    5 o    7.319000      0.1962000       7.342000 0.2774000       7.296000      0.2775000      0.4517000E-01  0.3923000
  1 1 1      16   -6    6 o    5.323000      0.2091000       5.550000 0.3027000       5.096000      0.2885000      0.4535000      0.4182000
  1 1 1      16   -6    7 o    5.912000      0.1911000       5.777000 0.2778000       6.047000      0.2625000     -0.2700000      0.3822000
  1 1 1      16   -6    8 o    6.471000      0.1906000       6.169000 0.2739000       6.774000      0.2651000     -0.6045000      0.3811000
  1 1 1      16   -6    9 o    8.361000      0.1794000       8.129000 0.2510000       8.593000      0.2565000     -0.4641000      0.3589000
  1 1 1      16   -6   10 o    2.601000      0.3277000       2.635000 0.4592000       2.566000      0.4678000      0.6912000E-01  0.6555000
  1 1 1      16   -6   11 o    4.422000      0.2161000       4.603000 0.2836000       4.241000      0.3261000      0.3624000      0.4322000
  1 1 1      16   -6   12 o    9.138000      0.1814000       8.910000 0.2431000       9.366000      0.2693000     -0.4559000      0.3627000
  1 1 1      16   -6   13 o    10.85000      0.1951000       10.78000 0.2631000       10.92000      0.2881000     -0.1440000      0.3902000
  1 1 1      16   -6   14 f    10.70000      0.2141000       10.53000 0.2760000       10.86000      0.3273000     -0.3246000      0.4281000
  1 1 1      16   -6   15 o    10.22000      0.2287000       10.11000 0.2860000       10.33000      0.3569000     -0.2242000      0.4573000
  1 1 1      16   -6   16 o    14.66000      0.2709000       14.79000 0.3584000       14.53000      0.4063000      0.2585000      0.5418000
  1 1 1      16   -6   17 o    7.932000      0.2531000       7.833000 0.3322000       8.031000      0.3819000     -0.1976000      0.5062000
  1 1 1      16   -6   18 o    7.563000      0.2430000       7.494000 0.3180000       7.632000      0.3675000     -0.1379000      0.4860000
  1 1 1      16   -6   19 o    8.329000      0.2402000       8.198000 0.3191000       8.460000      0.3592000     -0.2619000      0.4804000
  1 1 1      16   -6   20 o    7.631000      0.1664000       7.796000 0.2235000       7.466000      0.2465000      0.3305000      0.3327000
  1 1 1      16   -6   21 o    5.628000      0.1586000       5.574000 0.2217000       5.683000      0.2267000     -0.1088000      0.3171000
  1 1 1      16   -6   22 o    2.850000      0.2617000       2.833000 0.3949000       2.867000      0.3435000     -0.3443000E-01  0.5234000
  1 1 1      16   -6   23 o    8.628000      0.1640000       8.931000 0.2395000       8.325000      0.2240000      0.6056000      0.3279000
  1 1 1      16   -6   24 o    8.080000      0.2253000       8.447000 0.3409000       7.713000      0.2946000      0.7346000      0.4505000
  1 1 1      16   -6   25 o    6.341000      0.2598000       5.863000 0.4125000       6.819000      0.3160000     -0.9565000      0.5196000
  1 1 1      16   -6   26 o    2.989000      0.4654000       2.894000 0.7677000       3.084000      0.5262000     -0.1895000      0.9307000
  1 1 1      16   -6   27 o    2.987000      0.4628000       2.114000 0.8001000       3.859000      0.4654000      -1.745000      0.9256000
  1 1 1      16   -6   28 o    1.720000      0.5159000       1.696000 0.7560000       1.745000      0.7022000     -0.4983000E-01   1.032000
  1 1 1      16   -6   29 o    4.162000      0.3544000       4.177000 0.4814000       4.147000      0.5203000      0.2988000E-01  0.7088000
  1 1 1      16   -6   30 o    2.037000      0.5344000       1.728000 0.7581000       2.345000      0.7535000     -0.6166000       1.069000
  1 1 1      16   -6   31 f    2.702000      0.5106000       2.459000 0.7389000       2.944000      0.7049000     -0.4845000       1.021000
  1 1 1      16   -5    0 f    4.654000      0.2801000       4.905000 0.3865000       4.403000      0.4055000      0.5015000      0.5602000
  1 1 1      16   -5    1 o    6.438000      0.3193000                  ?       ?   6.438000      0.3193000                  ?              ?
  1 1 1      16   -5    2 o    13.91000      0.2868000       14.34000 0.4705000       13.48000      0.3280000      0.8622000      0.5735000
  1 1 1      16   -5    3 o    6.443000      0.2075000       6.647000 0.2955000       6.240000      0.2913000      0.4073000      0.4150000
  1 1 1      16   -5    4 o    4.902000      0.2267000       5.065000 0.3166000       4.739000      0.3244000      0.3256000      0.4533000
  1 1 1      16   -5    5 o    11.56000      0.2058000       11.80000 0.2886000       11.32000      0.2935000      0.4848000      0.4116000
  1 1 1      16   -5    6 o    2.088000      0.4050000       2.314000 0.5671000       1.863000      0.5784000      0.4503000      0.8100000
  1 1 1      16   -5    7 o    9.731000      0.1894000       9.816000 0.2661000       9.646000      0.2695000      0.1698000      0.3787000
  1 1 1      16   -5    8 o    9.708000      0.1837000       9.886000 0.2589000       9.530000      0.2607000      0.3561000      0.3674000
  1 1 1      16   -5    9 o    11.49000      0.1925000       11.56000 0.2709000       11.42000      0.2737000      0.1410000      0.3851000
  1 1 1      16   -5   10 o    9.675000      0.1778000       9.978000 0.2528000       9.373000      0.2499000      0.6041000      0.3555000
  1 1 1      16   -5   11 o    6.986000      0.1709000       6.964000 0.2367000       7.008000      0.2467000     -0.4397000E-01  0.3419000
  1 1 1      16   -5   12 o    7.838000      0.1691000       7.895000 0.2324000       7.781000      0.2457000      0.1142000      0.3382000
  1 1 1      16   -5   13 f    8.664000      0.1807000       8.698000 0.2405000       8.630000      0.2697000      0.6796000E-01  0.3614000
  1 1 1      16   -5   14 o    19.77000      0.4003000       19.57000 0.5544000       19.97000      0.5777000     -0.4065000      0.8006000
  1 1 1      16   -5   15 o    5.064000      0.3032000       4.944000 0.3770000       5.183000      0.4750000     -0.2386000      0.6064000
  1 1 1      16   -5   16 o    18.52000      0.3021000       18.71000 0.3968000       18.32000      0.4557000      0.3860000      0.6042000
  1 1 1      16   -5   17 f    12.95000      0.2666000       13.47000 0.3478000       12.43000      0.4041000       1.042000      0.5331000
  1 1 1      16   -5   18 o    6.270000      0.2433000       6.416000 0.2952000       6.124000      0.3867000      0.2923000      0.4865000
  1 1 1      16   -5   19 o    7.606000      0.3550000       7.853000 0.3936000       7.359000      0.5910000      0.4940000      0.7101000
  1 1 1      16   -5   20 o    5.764000      0.2345000       5.869000 0.3027000       5.658000      0.3583000      0.2114000      0.4691000
  1 1 1      16   -5   21 o    4.043000      0.2154000       3.932000 0.3152000       4.155000      0.2936000     -0.2230000      0.4308000
  1 1 1      16   -5   22 o    8.225000      0.1462000       7.960000 0.2034000       8.490000      0.2100000     -0.5303000      0.2923000
  1 1 1      16   -5   23 o    1.720000      0.3684000       1.710000 0.5484000       1.729000      0.4920000     -0.1930000E-01  0.7367000
  1 1 1      16   -5   24 o    3.033000      0.2754000       3.435000 0.3713000       2.631000      0.4067000      0.8034000      0.5507000
  1 1 1      16   -5   25 o    2.225000      0.3789000       1.812000 0.6246000       2.638000      0.4292000     -0.8259000      0.7579000
  1 1 1      16   -5   26 o    4.058000      0.2732000       3.953000 0.4354000       4.164000      0.3301000     -0.2104000      0.5464000
  1 1 1      16   -5   27 f    4.762000      0.2625000       4.697000 0.4128000       4.827000      0.3245000     -0.1297000      0.5251000
  1 1 1      16   -5   28 o    1.589000      0.4681000       1.699000 0.7040000       1.479000      0.6171000      0.2201000      0.9362000
  1 1 1      16   -5   29 o    2.083000      0.4999000       1.810000 0.7333000       2.356000      0.6795000     -0.5454000      0.9997000
  1 1 1      16   -5   30 o    2.346000      0.4927000       1.771000 0.7361000       2.921000      0.6550000      -1.150000      0.9853000
  1 1 1      16   -5   31 o    1.956000      0.5228000       1.889000 0.7499000       2.024000      0.7287000     -0.1351000       1.046000
  1 1 1      16   -4    0 o    5.452000      0.2329000       5.402000 0.3585000       5.501000      0.2975000     -0.9871000E-01  0.4658000
  1 1 1      16   -4    1 o    4.064000      0.3830000       3.130000 0.6800000       4.997000      0.3525000      -1.867000      0.7659000
  1 1 1      16   -4    2 o    13.93000      0.2765000       13.52000 0.3230000       14.34000      0.4489000     -0.8202000      0.5530000
  1 1 1      16   -4    3 o    10.15000      0.2022000       10.12000 0.2885000       10.18000      0.2834000     -0.6003000E-01  0.4044000
  1 1 1      16   -4    4 o    5.808000      0.2048000       5.850000 0.2832000       5.767000      0.2960000      0.8274000E-01  0.4097000
  1 1 1      16   -4    5 o    9.765000      0.1938000       9.613000 0.2690000       9.917000      0.2790000     -0.3044000      0.3876000
  1 1 1      16   -4    6 o    3.573000      0.2698000       4.012000 0.3356000       3.134000      0.4227000      0.8779000      0.5397000
  1 1 1      16   -4    7 o    9.735000      0.1899000       9.696000 0.2651000       9.774000      0.2721000     -0.7866000E-01  0.3799000
  1 1 1      16   -4    8 o    10.04000      0.1865000       10.23000 0.2624000       9.847000      0.2652000      0.3832000      0.3731000
  1 1 1      16   -4    9 o    2.434000      0.3282000       2.576000 0.4430000       2.291000      0.4843000      0.2851000      0.6563000
  1 1 1      16   -4   10 o    8.331000      0.1729000       8.398000 0.2428000       8.265000      0.2461000      0.1333000      0.3457000
  1 1 1      16   -4   11 o    7.824000      0.2761000       8.045000 0.3598000       7.602000      0.4189000      0.4426000      0.5522000
  1 1 1      16   -4   12 o    2.937000      0.4604000       2.561000 0.6062000       3.313000      0.6931000     -0.7517000      0.9208000
  1 1 1      16   -4   13 o    7.587000      0.2004000       7.766000 0.2819000       7.409000      0.2848000      0.3573000      0.4007000
  1 1 1      16   -4   14 o    4.699000      0.2194000       4.907000 0.2695000       4.492000      0.3463000      0.4149000      0.4389000
  1 1 1      16   -4   15 o    20.37000      0.4087000       21.07000 0.5900000       19.67000      0.5658000       1.398000      0.8174000
  1 1 1      16   -4   16 o    13.49000      0.4594000       12.36000 0.4796000       14.63000      0.7837000      -2.276000      0.9188000
  1 1 1      16   -4   17 o    9.568000      0.6545000       9.568000 0.6545000                  ?              ?              ?              ?
  1 1 1      16   -4   18 o    6.396000      0.2366000       6.180000 0.2918000       6.612000      0.3725000     -0.4320000      0.4732000
  1 1 1      16   -4   19 o    1.844000      0.4091000       1.231000 0.5237000       2.456000      0.6286000      -1.225000      0.8182000
  1 1 1      16   -4   20 o    5.908000      0.1539000       5.714000 0.2023000       6.102000      0.2320000     -0.3881000      0.3078000
  1 1 1      16   -4   21 o    7.576000      0.1403000       7.523000 0.1953000       7.629000      0.2014000     -0.1060000      0.2805000
  1 1 1      16   -4   22 o    3.301000      0.1864000       3.310000 0.2745000       3.291000      0.2523000      0.1903000E-01  0.3729000
  1 1 1      16   -4   23 o    7.534000      0.1460000       7.702000 0.2108000       7.366000      0.2021000      0.3356000      0.2920000
  1 1 1      16   -4   24 o    12.44000      0.1872000       12.59000 0.2689000       12.29000      0.2604000      0.3073000      0.3743000
  1 1 1      16   -4   25 o    3.916000      0.2137000       3.674000 0.3297000       4.158000      0.2719000     -0.4839000      0.4273000
  1 1 1      16   -4   26 o    7.069000      0.1745000       7.381000 0.2590000       6.758000      0.2340000      0.6232000      0.3490000
  1 1 1      16   -4   27 o    6.373000      0.1937000       6.319000 0.2960000       6.427000      0.2500000     -0.1081000      0.3875000
  1 1 1      16   -4   28 o    2.894000      0.4184000       3.100000 0.6414000       2.688000      0.5374000      0.4128000      0.8368000
  1 1 1      16   -4   29 o    1.744000      0.4694000       1.493000 0.6521000       1.994000      0.6754000     -0.5007000      0.9388000
  1 1 1      16   -4   30 o    4.755000      0.3345000       4.497000 0.5601000       5.013000      0.3658000     -0.5159000      0.6690000
  1 1 1      16   -4   31 o    1.832000      0.4801000       1.502000 0.6698000       2.162000      0.6881000     -0.6596000      0.9602000
  1 1 1      16   -4   32 o    2.351000      0.5105000       2.505000 0.7313000       2.196000      0.7126000      0.3095000       1.021000
  1 1 1      16   -3    0 o    4.515000      0.2469000       4.537000 0.3768000       4.493000      0.3191000      0.4455000E-01  0.4937000
  1 1 1      16   -3    1 o    11.91000      0.2121000       12.44000 0.3138000       11.37000      0.2853000       1.067000      0.4241000
  1 1 1      16   -3    2 o    5.840000      0.2159000       6.204000 0.3125000       5.476000      0.2981000      0.7286000      0.4319000
  1 1 1      16   -3    3 o    3.109000      0.3186000       3.082000 0.4902000       3.137000      0.4071000     -0.5444000E-01  0.6372000
  1 1 1      16   -3    4 o    10.03000      0.1905000       10.25000 0.2776000       9.814000      0.2611000      0.4401000      0.3811000
  1 1 1      16   -3    5 o    8.525000      0.1883000       8.550000 0.2661000       8.500000      0.2664000      0.4960000E-01  0.3766000
  1 1 1      16   -3    6 o    4.641000      0.2237000       4.782000 0.3127000       4.501000      0.3200000      0.2803000      0.4474000
  1 1 1      16   -3    7 o    10.20000      0.2488000       10.68000 0.2708000       9.710000      0.4174000      0.9736000      0.4975000
  1 1 1      16   -3    8 o    11.68000      0.1979000       11.56000 0.2756000       11.80000      0.2842000     -0.2385000      0.3959000
  1 1 1      16   -3    9 o    4.586000      0.3552000       4.617000 0.4132000       4.554000      0.5778000      0.6354000E-01  0.7103000
  1 1 1      16   -3   10 o    3.486000      0.4198000       3.357000 0.5056000       3.615000      0.6703000     -0.2585000      0.8396000
  1 1 1      16   -3   11 o    5.701000      0.1626000       5.726000 0.2289000       5.676000      0.2310000      0.4989000E-01  0.3252000
  1 1 1      16   -3   12 o    3.196000      0.2646000       3.359000 0.3060000       3.033000      0.4317000      0.3262000      0.5292000
  1 1 1      16   -3   13 o    21.52000      0.3629000       21.53000 0.4224000       21.50000      0.5903000      0.2892000E-01  0.7258000
  1 1 1      16   -3   14 o    12.75000      0.2683000       12.31000 0.3639000       13.19000      0.3942000     -0.8854000      0.5365000
  1 1 1      16   -3   15 o    15.01000      0.2694000       15.04000 0.4327000       14.97000      0.3210000      0.6257000E-01  0.5388000
  1 1 1      16   -3   16 o    11.26000      0.2138000       11.38000 0.2725000       11.14000      0.3297000      0.2344000      0.4277000
  1 1 1      16   -3   17 o    12.89000      0.2468000       12.81000 0.3087000       12.97000      0.3851000     -0.1687000      0.4936000
  1 1 1      16   -3   18 o    8.544000      0.2116000       8.891000 0.2707000       8.197000      0.3253000      0.6945000      0.4232000
  1 1 1      16   -3   19 o    2.670000      0.3599000       2.867000 0.3960000       2.473000      0.6011000      0.3944000      0.7199000
  1 1 1      16   -3   20 o    4.497000      0.1467000       4.537000 0.1998000       4.457000      0.2148000      0.8040000E-01  0.2934000
  1 1 1      16   -3   21 o    7.389000      0.1356000       7.422000 0.1887000       7.356000      0.1947000      0.6536000E-01  0.2712000
  1 1 1      16   -3   22 o    6.006000      0.1357000       5.742000 0.1899000       6.271000      0.1940000     -0.5292000      0.2715000
  1 1 1      16   -3   23 o    2.173000      0.2868000       1.863000 0.4670000       2.483000      0.3329000     -0.6196000      0.5736000
  1 1 1      16   -3   24 o    9.767000      0.1577000       9.750000 0.2255000       9.785000      0.2206000     -0.3446000E-01  0.3154000
  1 1 1      16   -3   25 o    1.610000      0.3618000       1.379000 0.5286000       1.841000      0.4941000     -0.4630000      0.7236000
  1 1 1      16   -3   26 o    4.641000      0.1860000       4.885000 0.2633000       4.397000      0.2628000      0.4879000      0.3720000
  1 1 1      16   -3   27 o    7.024000      0.1765000       6.986000 0.2660000       7.062000      0.2321000     -0.7594000E-01  0.3531000
  1 1 1      16   -3   28 o    4.599000      0.3856000       4.599000 0.3856000                  ?              ?              ?              ?
  1 1 1      16   -3   29 f    1.854000      0.4757000       2.004000 0.7093000       1.705000      0.6339000      0.2991000      0.9513000
  1 1 1      16   -3   30 f    4.348000      0.3901000                  ?       ?   4.348000      0.3901000                  ?              ?
  1 1 1      16   -3   31 o    3.670000      0.3764000       3.656000 0.5701000       3.685000      0.4915000     -0.2850000E-01  0.7528000
  1 1 1      16   -3   32 o    3.803000      0.3506000       3.865000 0.5174000       3.740000      0.4733000      0.1253000      0.7012000
  1 1 1      16   -2    0 o    7.512000      0.2034000       7.803000 0.2928000       7.221000      0.2823000      0.5820000      0.4068000
  1 1 1      16   -2    1 o    12.42000      0.2145000       12.29000 0.3087000       12.55000      0.2978000     -0.2574000      0.4290000
  1 1 1      16   -2    2 o    7.843000      0.1948000       7.739000 0.2908000       7.947000      0.2594000     -0.2088000      0.3897000
  1 1 1      16   -2    3 o    6.546000      0.1928000       6.759000 0.2864000       6.334000      0.2581000      0.4258000      0.3855000
  1 1 1      16   -2    4 o    3.697000      0.2502000       3.822000 0.3746000       3.571000      0.3318000      0.2511000      0.5004000
  1 1 1      16   -2    5 o    11.40000      0.1980000       11.10000 0.2850000       11.70000      0.2749000     -0.6032000      0.3959000
  1 1 1      16   -2    6 o    1.252000      0.3661000       1.120000 0.5039000       1.384000      0.5313000     -0.2637000      0.7322000
  1 1 1      16   -2    7 o    10.39000      0.1862000       10.37000 0.2718000       10.40000      0.2545000     -0.3025000E-01  0.3724000
  1 1 1      16   -2    8 o    6.242000      0.2499000       5.711000 0.3779000       6.774000      0.3272000      -1.063000      0.4998000
  1 1 1      16   -2    9 f    11.98000      0.3956000       11.98000 0.3956000                  ?              ?              ?              ?
  1 1 1      16   -2   10 o    13.12000      0.2039000       13.00000 0.2859000       13.23000      0.2908000     -0.2270000      0.4078000
  1 1 1      16   -2   11 o    8.866000      0.1683000       8.753000 0.2345000       8.978000      0.2415000     -0.2246000      0.3366000
  1 1 1      16   -2   12 o    11.32000      0.2427000       11.53000 0.3519000       11.12000      0.3343000      0.4145000      0.4854000
  1 1 1      16   -2   13 f    11.27000      0.1789000       10.92000 0.2454000       11.62000      0.2602000     -0.7055000      0.3577000
  1 1 1      16   -2   14 f    13.59000      0.2026000       13.43000 0.2802000       13.76000      0.2926000     -0.3311000      0.4051000
  1 1 1      16   -2   15 o    16.48000      0.2375000       16.37000 0.3305000       16.58000      0.3413000     -0.2147000      0.4750000
  1 1 1      16   -2   16 o    4.593000      0.2447000       4.818000 0.2708000       4.369000      0.4076000      0.4497000      0.4894000
  1 1 1      16   -2   17 o    14.30000      0.2508000       14.37000 0.3205000       14.24000      0.3858000      0.1234000      0.5016000
  1 1 1      16   -2   18 o    11.64000      0.2351000       11.53000 0.2818000       11.75000      0.3763000     -0.2179000      0.4701000
  1 1 1      16   -2   19 o    5.714000      0.1709000       5.925000 0.2158000       5.504000      0.2650000      0.4209000      0.3417000
  1 1 1      16   -2   20 o    7.225000      0.1305000       7.074000 0.1787000       7.377000      0.1903000     -0.3030000      0.2611000
  1 1 1      16   -2   21 o    1.987000      0.2459000       1.728000 0.4013000       2.245000      0.2844000     -0.5175000      0.4919000
  1 1 1      16   -2   22 o    8.325000      0.1410000       8.169000 0.1959000       8.481000      0.2030000     -0.3114000      0.2821000
  1 1 1      16   -2   23 o    6.329000      0.1883000                  ?       ?   6.329000      0.1883000                  ?              ?
  1 1 1      16   -2   24 o    7.460000      0.1391000       7.429000 0.1971000       7.491000      0.1964000     -0.6180000E-01  0.2782000
  1 1 1      16   -2   25 o    5.018000      0.1512000       4.909000 0.2116000       5.126000      0.2161000     -0.2170000      0.3025000
  1 1 1      16   -2   26 o    6.692000      0.1443000       6.801000 0.2064000       6.583000      0.2016000      0.2182000      0.2885000
  1 1 1      16   -2   27 o    1.347000      0.3617000       1.229000 0.5118000       1.464000      0.5112000     -0.2357000      0.7234000
  1 1 1      16   -2   28 o    3.147000      0.2816000       3.356000 0.4304000       2.939000      0.3631000      0.4164000      0.5631000
  1 1 1      16   -2   29 o    3.167000      0.3430000       2.949000 0.5413000       3.384000      0.4215000     -0.4357000      0.6861000
  1 1 1      16   -2   30 o    2.519000      0.5690000                  ?       ?   2.519000      0.5690000                  ?              ?
  1 1 1      16   -2   31 o    6.200000      0.4850000       6.532000 0.3465000       5.867000      0.9061000      0.6652000      0.9701000
  1 1 1      16   -2   32 o    4.414000      0.2933000       4.574000 0.4452000       4.254000      0.3819000      0.3203000      0.5866000
  1 1 1      16   -2   33 o    3.125000      0.4599000       2.204000 0.6395000       4.046000      0.6610000      -1.842000      0.9197000
  1 1 1      16   -1    0 o    6.900000      0.2934000       6.900000 0.2934000                  ?              ?              ?              ?
  1 1 1      16   -1    1 o    10.26000      0.1988000       10.08000 0.2878000       10.43000      0.2745000     -0.3530000      0.3977000
  1 1 1      16   -1    2 o    9.574000      0.2629000                  ?       ?   9.574000      0.2629000                  ?              ?
  1 1 1      16   -1    3 o    8.229000      0.1889000       7.741000 0.2787000       8.716000      0.2551000     -0.9754000      0.3778000
  1 1 1      16   -1    4 o    1.695000      0.4059000       1.629000 0.5977000       1.761000      0.5494000     -0.1316000      0.8118000
  1 1 1      16   -1    5 f    8.402000      0.1828000       7.986000 0.2684000       8.817000      0.2483000     -0.8312000      0.3656000
  1 1 1      16   -1    6 o    4.023000      0.2420000       3.377000 0.3975000       4.670000      0.2760000      -1.293000      0.4839000
  1 1 1      16   -1    7 o    6.462000      0.2493000       6.849000 0.3554000       6.074000      0.3497000      0.7750000      0.4986000
  1 1 1      16   -1    8 o    12.97000      0.2042000       12.87000 0.2927000       13.08000      0.2849000     -0.2091000      0.4085000
  1 1 1      16   -1    9 o    12.78000      0.2003000       13.00000 0.2908000       12.56000      0.2756000      0.4377000      0.4007000
  1 1 1      16   -1   10 o    8.805000      0.2248000       8.868000 0.3295000       8.742000      0.3059000      0.1258000      0.4496000
  1 1 1      16   -1   11 o    11.26000      0.2479000       11.49000 0.3615000       11.03000      0.3392000      0.4656000      0.4957000
  1 1 1      16   -1   12 o    13.50000      0.2008000       13.78000 0.2911000       13.22000      0.2767000      0.5597000      0.4016000
  1 1 1      16   -1   13 o    15.72000      0.2248000       15.10000 0.3086000       16.34000      0.3271000      -1.242000      0.4497000
  1 1 1      16   -1   14 o    6.041000      0.1373000       5.812000 0.1969000       6.269000      0.1913000     -0.4571000      0.2745000
  1 1 1      16   -1   15 o    10.29000      0.1928000       10.40000 0.2300000       10.19000      0.3094000      0.2028000      0.3855000
  1 1 1      16   -1   16 o    4.822000      0.1888000       4.883000 0.2244000       4.760000      0.3037000      0.1234000      0.3776000
  1 1 1      16   -1   17 o    13.64000      0.4034000       12.96000 0.4346000       14.31000      0.6799000      -1.347000      0.8069000
  1 1 1      16   -1   18 o    4.447000      0.2570000       4.908000 0.2847000       3.986000      0.4279000      0.9221000      0.5139000
  1 1 1      16   -1   19 o    10.22000      0.2052000       9.843000 0.2170000       10.59000      0.3483000     -0.7485000      0.4104000
  1 1 1      16   -1   20 o    9.293000      0.1442000       9.269000 0.2012000       9.318000      0.2066000     -0.4876000E-01  0.2884000
  1 1 1      16   -1   21 o    3.687000      0.1457000       3.632000 0.2153000       3.743000      0.1963000     -0.1110000      0.2914000
  1 1 1      16   -1   22 o    3.658000      0.1486000       3.544000 0.2180000       3.771000      0.2021000     -0.2274000      0.2973000
  1 1 1      16   -1   23 o    6.750000      0.1504000       6.410000 0.2380000       7.089000      0.1838000     -0.6784000      0.3007000
  1 1 1      16   -1   24 o    6.454000      0.3034000       6.454000 0.3034000                  ?              ?              ?              ?
  1 1 1      16   -1   30 o    1.180000      0.5326000       1.180000 0.5326000                  ?              ?              ?              ?
  1 1 1      16   -1   31 o    3.722000      0.2749000       3.677000 0.4355000       3.768000      0.3357000     -0.9112000E-01  0.5499000
  1 1 1      16   -1   32 o    2.697000      0.3654000       3.082000 0.5099000       2.313000      0.5235000      0.7691000      0.7308000
  1 1 1      16   -1   33 o    3.063000      0.2865000       2.904000 0.4311000       3.223000      0.3774000     -0.3191000      0.5729000
  1 1 1      16    0    0 o    1.281000      0.5479000       1.281000 0.5479000                  ?              ?              ?              ?
  1 1 1      16    0    1 o    12.48000      0.2089000       12.66000 0.2981000       12.30000      0.2929000      0.3615000      0.4179000
  1 1 1      16    0    2 o    14.19000      0.3162000                  ?       ?   14.19000      0.3162000                  ?              ?
  1 1 1      16    0    3 o    9.334000      0.1813000       9.185000 0.2545000       9.483000      0.2583000     -0.2980000      0.3626000
  1 1 1      16    0    4 f    4.073000      0.2357000       3.872000 0.3609000       4.274000      0.3033000     -0.4022000      0.4714000
  1 1 1      16    0    5 o    5.871000      0.1855000       5.860000 0.2750000       5.881000      0.2490000     -0.2135000E-01  0.3710000
  1 1 1      16    0    6 o    9.759000      0.2580000       9.380000 0.3643000       10.14000      0.3653000     -0.7572000      0.5159000
  1 1 1      16    0    7 o    4.114000      0.2132000       4.297000 0.3142000       3.931000      0.2884000      0.3656000      0.4265000
  1 1 1      16    0    8 o    12.97000      0.2049000       12.76000 0.2928000       13.18000      0.2868000     -0.4190000      0.4099000
  1 1 1      16    0    9 o    15.85000      0.3279000       16.31000 0.4799000       15.39000      0.4468000      0.9201000      0.6557000
  1 1 1      16    0   10 o    9.665000      0.2363000       9.690000 0.3446000       9.640000      0.3235000      0.4997000E-01  0.4726000
  1 1 1      16    0   11 o    2.566000      0.2688000       2.807000 0.3778000       2.325000      0.3824000      0.4822000      0.5375000
  1 1 1      16    0   12 o    5.880000      0.1986000       5.498000 0.3435000       6.261000      0.1996000     -0.7626000      0.3973000
  1 1 1      16    0   13 o    9.764000      0.1602000       9.734000 0.2298000       9.794000      0.2233000     -0.5960000E-01  0.3204000
  1 1 1      16    0   14 o    4.113000      0.1559000       3.721000 0.2414000       4.505000      0.1974000     -0.7842000      0.3119000
  1 1 1      16    0   15 o    7.252000      0.1352000       7.224000 0.1955000       7.280000      0.1868000     -0.5611000E-01  0.2704000
  1 1 1      16    0   16 o    9.954000      0.1575000       9.905000 0.2202000       10.00000      0.2253000     -0.9726000E-01  0.3150000
  1 1 1      16    0   17 o    11.44000      0.1865000       11.48000 0.2520000       11.41000      0.2751000      0.7682000E-01  0.3731000
  1 1 1      16    0   18 o    6.729000      0.1738000       6.693000 0.2396000       6.766000      0.2517000     -0.7299000E-01  0.3475000
  1 1 1      16    0   19 o    4.876000      0.1209000       4.843000 0.1655000       4.909000      0.1762000     -0.6635000E-01  0.2417000
  1 1 1      16    0   20 o    12.36000      0.2112000       12.61000 0.3470000       12.10000      0.2408000      0.5142000      0.4224000
  1 1 1      16    0   33 o    2.282000      0.3148000       2.504000 0.3945000       2.059000      0.4906000      0.4450000      0.6295000
  1 1 1      16    1    0 o    7.745000      0.1910000       7.828000 0.2650000       7.662000      0.2752000      0.1662000      0.3820000
  1 1 1      16    1    1 o    7.308000      0.1870000       7.301000 0.2627000       7.315000      0.2663000     -0.1470000E-01  0.3741000
  1 1 1      16    1    2 o    2.990000      0.3130000       3.266000 0.3950000       2.714000      0.4856000      0.5517000      0.6260000
  1 1 1      16    1    3 o    6.773000      0.1826000       6.917000 0.2596000       6.629000      0.2570000      0.2881000      0.3653000
  1 1 1      16    1    4 o    4.028000      0.2220000       3.990000 0.3003000       4.065000      0.3270000     -0.7551000E-01  0.4440000
  1 1 1      16    1    5 o    9.896000      0.2606000       9.835000 0.3718000       9.958000      0.3653000     -0.1235000      0.5212000
  1 1 1      16    1    6 o    6.686000      0.1690000       6.684000 0.2320000       6.689000      0.2458000     -0.5162000E-02  0.3380000
  1 1 1      16    1    7 o    10.50000      0.2252000       10.17000 0.3694000       10.83000      0.2575000     -0.6676000      0.4503000
  1 1 1      16    1    8 o    12.52000      0.2810000       12.04000 0.3983000       12.99000      0.3965000     -0.9468000      0.5620000
  1 1 1      16    1    9 o    12.42000      0.2756000       12.58000 0.4025000       12.27000      0.3766000      0.3051000      0.5512000
  1 1 1      16    1   10 f    7.858000      0.1614000       7.711000 0.2335000       8.005000      0.2230000     -0.2947000      0.3228000
  1 1 1      16    1   11 o    8.429000      0.1598000       8.445000 0.2332000       8.413000      0.2187000      0.3137000E-01  0.3197000
  1 1 1      16    1   12 o    6.233000      0.1520000       6.319000 0.2248000       6.147000      0.2046000      0.1726000      0.3039000
  1 1 1      16    1   13 o    6.378000      0.1875000       6.696000 0.3164000       6.060000      0.2013000      0.6359000      0.3750000
  1 1 1      16    1   14 o    6.725000      0.1789000       7.130000 0.3039000       6.319000      0.1888000      0.8107000      0.3578000
  1 1 1      16    1   15 o    17.08000      0.2376000       17.23000 0.3398000       16.93000      0.3323000      0.3007000      0.4753000
  1 1 1      16    1   16 o    7.320000      0.1297000       7.149000 0.1824000       7.491000      0.1843000     -0.3418000      0.2594000
  1 1 1      16    1   17 o    5.751000      0.1600000       5.839000 0.1873000       5.663000      0.2594000      0.1760000      0.3199000
  1 1 1      16    1   18 o    2.381000      0.4260000       1.828000 0.7808000       2.933000      0.3407000      -1.105000      0.8519000
  1 1 1      16    1   34 o    1.057000      0.4613000                  ?       ?   1.057000      0.4613000                  ?              ?
  1 1 1      16    2    0 o    4.933000      0.2211000       4.666000 0.3248000       5.200000      0.3001000     -0.5335000      0.4422000
  1 1 1      16    2    1 o    6.689000      0.1883000       6.548000 0.2659000       6.829000      0.2668000     -0.2807000      0.3767000
  1 1 1      16    2    2 o    2.713000      0.3418000       2.897000 0.4511000       2.529000      0.5137000      0.3682000      0.6837000
  1 1 1      16    2    3 o    6.751000      0.1848000       6.803000 0.2654000       6.698000      0.2571000      0.1047000      0.3696000
  1 1 1      16    2    4 o    3.680000      0.3747000       3.669000 0.5565000       3.690000      0.5018000     -0.2107000E-01  0.7493000
  1 1 1      16    2    5 o    6.946000      0.2537000       6.669000 0.3727000       7.223000      0.3443000     -0.5543000      0.5074000
  1 1 1      16    2    6 f    9.672000      0.1764000       9.594000 0.2487000       9.750000      0.2501000     -0.1560000      0.3527000
  1 1 1      16    2    7 o    17.25000      0.3514000       17.58000 0.5032000       16.91000      0.4907000      0.6636000      0.7028000
  1 1 1      16    2    8 o    9.865000      0.2382000       9.952000 0.3350000       9.778000      0.3388000      0.1740000      0.4765000
  1 1 1      16    2    9 o    4.923000      0.1703000       4.837000 0.2394000       5.009000      0.2423000     -0.1722000      0.3406000
  1 1 1      16    2   10 o    3.586000      0.1996000       3.364000 0.2838000       3.809000      0.2806000     -0.4455000      0.3991000
  1 1 1      16    2   11 o    3.473000      0.2092000       3.720000 0.2979000       3.226000      0.2938000      0.4943000      0.4184000
  1 1 1      16    2   12 o    10.48000      0.1708000       10.73000 0.2500000       10.22000      0.2329000      0.5141000      0.3417000
  1 1 1      16    2   13 o    7.804000      0.1487000       8.192000 0.2213000       7.416000      0.1988000      0.7766000      0.2975000
  1 1 1      16    2   14 o    7.307000      0.1785000       6.888000 0.2976000       7.727000      0.1971000     -0.8388000      0.3570000
  1 1 1      16    2   15 o    10.25000      0.1583000       10.08000 0.2252000       10.43000      0.2225000     -0.3471000      0.3166000
  1 1 1      16    2   16 o    8.208000      0.1329000       7.801000 0.1861000       8.616000      0.1898000     -0.8153000      0.2659000
  1 1 1      16    2   17 o    11.44000      0.2271000       11.22000 0.3146000       11.67000      0.3276000     -0.4541000      0.4542000
  1 1 1      16    2   34 o    3.386000      0.2120000       3.359000 0.2849000       3.412000      0.3140000     -0.5308000E-01  0.4239000
  1 1 1      16    3    0 o    8.902000      0.1889000       8.982000 0.2646000       8.821000      0.2697000      0.1609000      0.3778000
  1 1 1      16    3    1 o    9.409000      0.2686000       9.409000 0.2686000                  ?              ?              ?              ?
  1 1 1      16    3    2 o    3.544000      0.2648000       3.453000 0.3743000       3.635000      0.3746000     -0.1815000      0.5295000
  1 1 1      16    3    3 o    9.954000      0.2644000                  ?       ?   9.954000      0.2644000                  ?              ?
  1 1 1      16    3    4 o    2.974000      0.4393000       2.760000 0.6688000       3.188000      0.5699000     -0.4274000      0.8787000
  1 1 1      16    3    5 o    2.819000      0.2871000       2.738000 0.4115000       2.900000      0.4003000     -0.1620000      0.5741000
  1 1 1      16    3    6 o    5.948000      0.1752000       5.443000 0.2510000       6.454000      0.2445000      -1.011000      0.3504000
  1 1 1      16    3    7 o    16.58000      0.3406000       16.95000 0.4882000       16.21000      0.4750000      0.7386000      0.6812000
  1 1 1      16    3    8 o    4.480000      0.1881000       4.639000 0.2527000       4.322000      0.2785000      0.3174000      0.3761000
  1 1 1      16    3    9 f    5.412000      0.1671000       5.514000 0.2318000       5.309000      0.2407000      0.2043000      0.3342000
  1 1 1      16    3   10 o    5.708000      0.1580000       5.556000 0.2205000       5.860000      0.2263000     -0.3035000      0.3160000
  1 1 1      16    3   11 o    5.116000      0.1578000       5.294000 0.2137000       4.937000      0.2323000      0.3565000      0.3156000
  1 1 1      16    3   12 o    6.079000      0.1446000       6.162000 0.2010000       5.997000      0.2080000      0.1656000      0.2892000
  1 1 1      16    3   13 o    4.704000      0.1453000       4.783000 0.2008000       4.626000      0.2102000      0.1577000      0.2907000
  1 1 1      16    3   14 o    13.27000      0.1940000       12.87000 0.2709000       13.67000      0.2778000     -0.8021000      0.3880000
  1 1 1      16    3   15 o    14.64000      0.2076000       14.55000 0.2943000       14.73000      0.2930000     -0.1730000      0.4153000
  1 1 1      16    3   16 o    4.011000      0.1281000       4.266000 0.1843000       3.755000      0.1781000      0.5110000      0.2563000
  1 1 1      16    3   34 o    2.198000      0.3289000       1.927000 0.4791000       2.469000      0.4509000     -0.5421000      0.6579000
  1 1 1      16    4    0 o    7.541000      0.1889000       7.423000 0.2653000       7.658000      0.2690000     -0.2349000      0.3778000
  1 1 1      16    4    1 o    2.526000      0.5346000       2.526000 0.5346000                  ?              ?              ?              ?
  1 1 1      16    4    2 o    9.029000      0.1860000       9.052000 0.2633000       9.006000      0.2627000      0.4585000E-01  0.3719000
  1 1 1      16    4    3 o    8.450000      0.3614000                  ?       ?   8.450000      0.3614000                  ?              ?
  1 1 1      16    4    4 o    15.82000      0.3374000       15.45000 0.4712000       16.20000      0.4831000     -0.7579000      0.6749000
  1 1 1      16    4    5 o    2.358000      0.3528000       2.440000 0.4936000       2.276000      0.5042000      0.1638000      0.7056000
  1 1 1      16    4    6 o    9.396000      0.1759000       9.248000 0.2463000       9.543000      0.2511000     -0.2950000      0.3518000
  1 1 1      16    4    7 o    1.200000      0.3839000       1.135000 0.5215000       1.265000      0.5636000     -0.1304000      0.7679000
  1 1 1      16    4    8 o    11.53000      0.1862000       11.72000 0.2648000       11.34000      0.2619000      0.3847000      0.3724000
  1 1 1      16    4    9 o    7.466000      0.1594000       7.509000 0.2236000       7.423000      0.2272000      0.8559000E-01  0.3188000
  1 1 1      16    4   10 o    12.76000      0.1949000       12.72000 0.2738000       12.79000      0.2776000     -0.7509000E-01  0.3899000
  1 1 1      16    4   11 o    7.765000      0.1525000       7.789000 0.2139000       7.741000      0.2173000      0.4830000E-01  0.3050000
  1 1 1      16    4   12 o    10.53000      0.1686000       10.34000 0.2355000       10.72000      0.2413000     -0.3740000      0.3372000
  1 1 1      16    4   13 o    9.283000      0.1535000       9.297000 0.2171000       9.269000      0.2171000      0.2824000E-01  0.3070000
  1 1 1      16    4   14 o    6.112000      0.1347000       6.092000 0.1887000       6.131000      0.1922000     -0.3900000E-01  0.2694000
  1 1 1      16    4   15 o    12.09000      0.1753000       12.17000 0.2496000       12.01000      0.2462000      0.1627000      0.3506000
  1 1 1      16    4   16 o    9.833000      0.2050000                  ?       ?   9.833000      0.2050000                  ?              ?
  1 1 1      16    4   33 o    2.135000      0.3435000       2.176000 0.4539000       2.094000      0.5157000      0.8220000E-01  0.6870000
  1 1 1      16    4   34 o    3.559000      0.2338000       3.980000 0.2855000       3.138000      0.3704000      0.8422000      0.4676000
  1 1 1      16    5    0 f    8.636000      0.1887000       8.510000 0.2658000       8.762000      0.2679000     -0.2513000      0.3774000
  1 1 1      16    5    1 o    11.06000      0.1975000       10.78000 0.2782000       11.34000      0.2803000     -0.5661000      0.3949000
  1 1 1      16    5    2 o    15.42000      0.2364000       15.45000 0.3350000       15.38000      0.3335000      0.6032000E-01  0.4727000
  1 1 1      16    5    3 o    6.444000      0.2643000       6.524000 0.3720000       6.363000      0.3754000      0.1608000      0.5285000
  1 1 1      16    5    4 o    19.98000      0.4045000       19.75000 0.5682000       20.20000      0.5757000     -0.4553000      0.8089000
  1 1 1      16    5    5 o    8.195000      0.1749000       8.272000 0.2467000       8.119000      0.2480000      0.1532000      0.3499000
  1 1 1      16    5    6 o    15.13000      0.3201000       15.17000 0.4509000       15.09000      0.4545000      0.7613000E-01  0.6402000
  1 1 1      16    5    7 o    3.529000      0.3393000       3.186000 0.5035000       3.872000      0.4548000     -0.6861000      0.6785000
  1 1 1      16    5    8 o    9.944000      0.1745000       10.06000 0.2478000       9.829000      0.2457000      0.2302000      0.3489000
  1 1 1      16    5    9 o    10.35000      0.1752000       10.54000 0.2504000       10.15000      0.2453000      0.3962000      0.3505000
  1 1 1      16    5   10 o    1.340000      0.3250000       1.816000 0.5044000      0.8633000      0.4101000      0.9525000      0.6501000
  1 1 1      16    5   11 o    6.434000      0.1553000       6.564000 0.2183000       6.305000      0.2209000      0.2586000      0.3106000
  1 1 1      16    5   12 o    6.089000      0.1496000       6.201000 0.2111000       5.977000      0.2121000      0.2244000      0.2992000
  1 1 1      16    5   13 o    10.39000      0.1644000       10.40000 0.2336000       10.38000      0.2313000      0.1514000E-01  0.3288000
  1 1 1      16    5   14 o    9.656000      0.1550000       9.776000 0.2212000       9.537000      0.2173000      0.2390000      0.3101000
  1 1 1      16    5   15 o    6.503000      0.1289000       6.398000 0.1840000       6.608000      0.1807000     -0.2099000      0.2579000
  1 1 1      16    5   16 f    17.67000      0.2423000       17.82000 0.3458000       17.52000      0.3394000      0.3050000      0.4845000
  1 1 1      16    5   17 o    4.451000      0.1351000       4.511000 0.2314000       4.391000      0.1393000      0.1198000      0.2701000
  1 1 1      16    5   32 o    1.725000      0.3539000       1.025000 0.4771000       2.426000      0.5228000      -1.402000      0.7078000
  1 1 1      16    5   33 o    6.188000      0.1979000       5.877000 0.3128000       6.498000      0.2426000     -0.6212000      0.3958000
  1 1 1      16    5   34 o    3.951000      0.2745000       3.581000 0.4456000       4.321000      0.3209000     -0.7401000      0.5491000
  1 1 1      16    6    0 o    8.407000      0.1899000       8.318000 0.2645000       8.495000      0.2726000     -0.1768000      0.3798000
  1 1 1      16    6    1 o    10.53000      0.1956000       10.61000 0.2760000       10.46000      0.2772000      0.1523000      0.3911000
  1 1 1      16    6    2 o    12.93000      0.2120000       12.86000 0.3001000       13.01000      0.2995000     -0.1535000      0.4240000
  1 1 1      16    6    3 o    10.59000      0.2709000       10.46000 0.3816000       10.73000      0.3846000     -0.2690000      0.5418000
  1 1 1      16    6    4 o    10.11000      0.2645000       9.814000 0.3755000       10.41000      0.3727000     -0.6002000      0.5291000
  1 1 1      16    6    5 o    4.114000      0.2241000       4.299000 0.3139000       3.928000      0.3198000      0.3708000      0.4481000
  1 1 1      16    6    6 o    5.688000      0.1816000       5.550000 0.2598000       5.826000      0.2539000     -0.2753000      0.3632000
  1 1 1      16    6    7 o    12.70000      0.2843000       13.04000 0.4035000       12.36000      0.4005000      0.6770000      0.5685000
  1 1 1      16    6    8 o    3.146000      0.2614000       3.413000 0.3343000       2.878000      0.4020000      0.5359000      0.5229000
  1 1 1      16    6    9 o    8.347000      0.1653000       8.702000 0.2367000       7.993000      0.2308000      0.7086000      0.3306000
  1 1 1      16    6   10 o    7.514000      0.1591000       7.595000 0.2250000       7.434000      0.2249000      0.1611000      0.3182000
  1 1 1      16    6   11 f    6.471000      0.1543000       6.442000 0.2186000       6.501000      0.2177000     -0.5986000E-01  0.3085000
  1 1 1      16    6   12 o    10.10000      0.1661000       10.10000 0.2353000       10.10000      0.2346000      0.5407000E-03  0.3322000
  1 1 1      16    6   13 o    17.64000      0.2469000       17.84000 0.3529000       17.44000      0.3454000      0.4011000      0.4938000
  1 1 1      16    6   14 o    12.54000      0.1838000       12.66000 0.2627000       12.42000      0.2572000      0.2396000      0.3677000
  1 1 1      16    6   15 o    3.820000      0.1482000       3.565000 0.2257000       4.074000      0.1921000     -0.5095000      0.2964000
  1 1 1      16    6   16 o    6.055000      0.1202000       5.910000 0.1705000       6.201000      0.1695000     -0.2913000      0.2405000
  1 1 1      16    6   17 o    19.79000      0.2688000       19.82000 0.3805000       19.76000      0.3798000      0.6058000E-01  0.5376000
  1 1 1      16    6   18 o    11.50000      0.2205000       11.50000 0.3342000       11.50000      0.2878000     -0.5079000E-02  0.4410000
  1 1 1      16    6   29 o    3.300000      0.3688000       2.879000 0.5268000       3.722000      0.5164000     -0.8435000      0.7377000
  1 1 1      16    6   30 o    1.984000      0.6013000       1.984000 0.6013000                  ?              ?              ?              ?
  1 1 1      16    6   31 o    3.719000      0.3202000       3.274000 0.4551000       4.165000      0.4504000     -0.8917000      0.6403000
  1 1 1      16    6   32 o    4.293000      0.3850000                  ?       ?   4.293000      0.3850000                  ?              ?
  1 1 1      16    6   33 o    9.136000      0.2184000       9.319000 0.2530000       8.954000      0.3562000      0.3649000      0.4369000
  1 1 1      16    6   34 o    3.994000      0.2617000       4.015000 0.3661000       3.973000      0.3739000      0.4265000E-01  0.5234000
  1 1 1      16    7    0 o    10.34000      0.1968000       10.15000 0.2766000       10.53000      0.2801000     -0.3847000      0.3936000
  1 1 1      16    7    1 o    3.536000      0.2944000       3.305000 0.4449000       3.767000      0.3858000     -0.4617000      0.5889000
  1 1 1      16    7    2 o    20.17000      0.2902000       20.24000 0.4134000       20.09000      0.4074000      0.1517000      0.5804000
  1 1 1      16    7    3 o    7.904000      0.2593000       7.521000 0.3712000       8.287000      0.3622000     -0.7658000      0.5186000
  1 1 1      16    7    4 o    8.077000      0.2448000       7.866000 0.3364000       8.289000      0.3558000     -0.4238000      0.4897000
  1 1 1      16    7    5 o    7.068000      0.1766000       7.148000 0.2522000       6.988000      0.2474000      0.1605000      0.3533000
  1 1 1      16    7    6 o    11.95000      0.1960000       11.97000 0.2775000       11.94000      0.2770000      0.2273000E-01  0.3921000
  1 1 1      16    7    7 f    6.005000      0.2514000       6.203000 0.3424000       5.807000      0.3683000      0.3954000      0.5029000
  1 1 1      16    7    8 o    16.63000      0.2421000       16.60000 0.3414000       16.66000      0.3432000     -0.6431000E-01  0.4841000
  1 1 1      16    7    9 o    9.021000      0.1693000       9.050000 0.2401000       8.993000      0.2388000      0.5616000E-01  0.3386000
  1 1 1      16    7   10 o    7.396000      0.1604000       7.569000 0.2280000       7.222000      0.2257000      0.3470000      0.3208000
  1 1 1      16    7   11 o    9.776000      0.1673000       9.760000 0.2372000       9.792000      0.2360000     -0.3179000E-01  0.3346000
  1 1 1      16    7   12 o    7.682000      0.1523000       7.553000 0.2147000       7.811000      0.2160000     -0.2584000      0.3045000
  1 1 1      16    7   13 o    9.227000      0.1564000       9.331000 0.2230000       9.123000      0.2193000      0.2085000      0.3128000
  1 1 1      16    7   14 o    3.864000      0.1586000       4.106000 0.2287000       3.622000      0.2197000      0.4840000      0.3172000
  1 1 1      16    7   15 o    3.638000      0.1498000       3.421000 0.2284000       3.855000      0.1939000     -0.4345000      0.2996000
  1 1 1      16    7   16 o    8.663000      0.1375000       8.645000 0.1946000       8.681000      0.1945000     -0.3603000E-01  0.2751000
  1 1 1      16    7   17 o    19.68000      0.2691000       19.39000 0.3740000       19.97000      0.3871000     -0.5745000      0.5382000
  1 1 1      16    7   18 o    14.21000      0.2627000       14.13000 0.4009000       14.29000      0.3395000     -0.1606000      0.5253000
  1 1 1      16    7   19 f    5.537000      0.1695000       5.649000 0.1935000       5.425000      0.2784000      0.2238000      0.3391000
  1 1 1      16    7   20 o    8.521000      0.1586000       8.625000 0.1866000       8.417000      0.2565000      0.2082000      0.3172000
  1 1 1      16    7   21 o    2.065000      0.2432000       2.115000 0.3566000       2.015000      0.3306000      0.9987000E-01  0.4863000
  1 1 1      16    7   22 o    9.915000      0.1783000       9.919000 0.2875000       9.910000      0.2109000      0.8671000E-02  0.3566000
  1 1 1      16    7   23 o    11.67000      0.2358000       11.93000 0.3339000       11.42000      0.3330000      0.5097000      0.4715000
  1 1 1      16    7   24 o    6.354000      0.1590000       6.035000 0.2029000       6.674000      0.2447000     -0.6390000      0.3179000
  1 1 1      16    7   25 o    5.086000      0.1303000       5.237000 0.1904000       4.936000      0.1779000      0.3008000      0.2606000
  1 1 1      16    7   26 o    6.297000      0.1191000       6.247000 0.1640000       6.347000      0.1728000     -0.1000000      0.2382000
  1 1 1      16    7   27 o    4.483000      0.1379000       4.598000 0.1965000       4.368000      0.1936000      0.2296000      0.2759000
  1 1 1      16    7   28 o    3.342000      0.2429000       3.873000 0.3249000       2.811000      0.3611000       1.062000      0.4858000
  1 1 1      16    7   29 o    2.197000      0.4445000       2.253000 0.6363000       2.142000      0.6207000      0.1112000      0.8889000
  1 1 1      16    7   30 o    5.480000      0.2534000       5.499000 0.3478000       5.462000      0.3686000      0.3654000E-01  0.5068000
  1 1 1      16    7   31 f    3.844000      0.3311000       3.596000 0.4765000       4.093000      0.4598000     -0.4974000      0.6622000
  1 1 1      16    7   32 o    5.534000      0.3410000                  ?       ?   5.534000      0.3410000                  ?              ?
  1 1 1      16    7   33 o    3.291000      0.3628000       3.484000 0.4981000       3.098000      0.5275000      0.3857000      0.7255000
  1 1 1      16    7   34 o    5.164000      0.2427000       5.321000 0.3361000       5.008000      0.3503000      0.3133000      0.4855000
  1 1 1      16    8    0 o    8.567000      0.1925000       8.251000 0.2707000       8.882000      0.2738000     -0.6310000      0.3850000
  1 1 1      16    8    1 o    9.932000      0.1942000       10.08000 0.2751000       9.787000      0.2741000      0.2895000      0.3884000
  1 1 1      16    8    2 o    12.18000      0.2950000       12.18000 0.2950000                  ?              ?              ?              ?
  1 1 1      16    8    3 o    16.30000      0.2458000       16.32000 0.3486000       16.28000      0.3468000      0.3958000E-01  0.4917000
  1 1 1      16    8    4 o    23.98000      0.6695000                  ?       ?   23.98000      0.6695000                  ?              ?
  1 1 1      16    8    5 o    14.43000      0.3142000       14.40000 0.4481000       14.47000      0.4405000     -0.6605000E-01  0.6283000
  1 1 1      16    8    6 o    7.988000      0.1770000       8.091000 0.2502000       7.884000      0.2503000      0.2069000      0.3539000
  1 1 1      16    8    7 o    4.969000      0.1846000       4.814000 0.2690000       5.124000      0.2529000     -0.3107000      0.3692000
  1 1 1      16    8    8 o    9.823000      0.2528000       9.840000 0.3479000       9.805000      0.3667000      0.3530000E-01  0.5055000
  1 1 1      16    8    9 o    3.678000      0.2259000       3.732000 0.3197000       3.625000      0.3192000      0.1067000      0.4517000
  1 1 1      16    8   10 o    3.094000      0.2457000       2.960000 0.3619000       3.227000      0.3324000     -0.2678000      0.4913000
  1 1 1      16    8   11 o    18.99000      0.2669000       18.97000 0.3765000       19.01000      0.3784000     -0.3687000E-01  0.5338000
  1 1 1      16    8   12 o    5.228000      0.1578000       5.005000 0.2309000       5.451000      0.2152000     -0.4460000      0.3157000
  1 1 1      16    8   13 o    7.799000      0.1467000       7.931000 0.2100000       7.668000      0.2049000      0.2633000      0.2934000
  1 1 1      16    8   14 o    6.400000      0.1525000       6.088000 0.1950000       6.712000      0.2345000     -0.6245000      0.3050000
  1 1 1      16    8   15 o    5.243000      0.1296000       5.283000 0.1860000       5.204000      0.1805000      0.7942000E-01  0.2592000
  1 1 1      16    8   16 o    7.344000      0.1291000       7.361000 0.1803000       7.327000      0.1847000      0.3409000E-01  0.2581000
  1 1 1      16    8   17 o    5.011000      0.1398000       5.097000 0.1763000       4.924000      0.2171000      0.1734000      0.2796000
  1 1 1      16    8   18 o    6.922000      0.1830000       7.140000 0.2203000       6.705000      0.2923000      0.4352000      0.3660000
  1 1 1      16    8   19 o    6.142000      0.1677000       5.933000 0.2180000       6.350000      0.2549000     -0.4171000      0.3354000
  1 1 1      16    8   20 o    6.999000      0.1328000       6.927000 0.1789000       7.072000      0.1962000     -0.1456000      0.2655000
  1 1 1      16    8   21 o    3.025000      0.1589000       3.099000 0.2076000       2.951000      0.2407000      0.1481000      0.3179000
  1 1 1      16    8   22 o    15.15000      0.2110000       15.09000 0.2965000       15.22000      0.3004000     -0.1309000      0.4220000
  1 1 1      16    8   23 o    11.31000      0.1660000       11.13000 0.2322000       11.49000      0.2374000     -0.3564000      0.3321000
  1 1 1      16    8   24 o    10.94000      0.1635000       11.13000 0.2334000       10.75000      0.2290000      0.3763000      0.3270000
  1 1 1      16    8   25 o    5.439000      0.1284000       5.224000 0.1777000       5.655000      0.1854000     -0.4313000      0.2568000
  1 1 1      16    8   26 o    5.679000      0.1306000       5.957000 0.1787000       5.402000      0.1906000      0.5554000      0.2613000
  1 1 1      16    8   27 o    7.776000      0.1503000       7.947000 0.2136000       7.604000      0.2116000      0.3436000      0.3007000
  1 1 1      16    8   28 f    1.444000      0.4093000       1.344000 0.5606000       1.544000      0.5964000     -0.2000000      0.8185000
  1 1 1      16    8   29 o    1.651000      0.4350000      0.9406000 0.4610000       2.362000      0.7378000      -1.422000      0.8700000
  1 1 1      16    8   30 o    7.536000      0.2648000       7.825000 0.3505000       7.247000      0.3969000      0.5782000      0.5296000
  1 1 1      16    8   31 o    1.674000      0.4616000       1.979000 0.6801000       1.370000      0.6244000      0.6091000      0.9233000
  1 1 1      16    8   32 o    3.925000      0.3547000       3.297000 0.5606000       4.554000      0.4347000      -1.257000      0.7094000
  1 1 1      16    8   33 o    3.677000      0.3741000       3.107000 0.5881000       4.247000      0.4625000      -1.140000      0.7482000
  1 1 1      16    8   34 o    5.580000      0.2531000       5.814000 0.3612000       5.347000      0.3546000      0.4676000      0.5062000
  1 1 1      16    9    0 o    6.592000      0.2002000       6.458000 0.2792000       6.726000      0.2870000     -0.2678000      0.4004000
  1 1 1      16    9    1 o    2.031000      0.4272000       2.091000 0.5833000       1.971000      0.6243000      0.1195000      0.8544000
  1 1 1      16    9    2 o    15.37000      0.3360000       15.37000 0.3360000                  ?              ?              ?              ?
  1 1 1      16    9    3 o    19.54000      0.2827000       19.49000 0.3989000       19.60000      0.4008000     -0.1115000      0.5655000
  1 1 1      16    9    4 o    17.43000      0.5097000                  ?       ?   17.43000      0.5097000                  ?              ?
  1 1 1      16    9    5 o    12.60000      0.2873000       12.39000 0.4078000       12.81000      0.4048000     -0.4247000      0.5747000
  1 1 1      16    9    6 f    6.705000      0.1802000       6.897000 0.2514000       6.513000      0.2583000      0.3832000      0.3605000
  1 1 1      16    9    7 o    9.752000      0.1811000       9.714000 0.2563000       9.790000      0.2559000     -0.7593000E-01  0.3622000
  1 1 1      16    9    8 o    2.890000      0.3630000       2.354000 0.6586000       3.426000      0.3053000      -1.072000      0.7260000
  1 1 1      16    9    9 o    6.433000      0.2497000       6.630000 0.3322000       6.236000      0.3728000      0.3939000      0.4993000
  1 1 1      16    9   10 o    5.784000      0.1720000       6.088000 0.2406000       5.479000      0.2457000      0.6091000      0.3439000
  1 1 1      16    9   11 o    9.154000      0.1637000       9.251000 0.2326000       9.058000      0.2305000      0.1927000      0.3274000
  1 1 1      16    9   12 o    4.571000      0.1682000       4.362000 0.2501000       4.779000      0.2250000     -0.4171000      0.3364000
  1 1 1      16    9   13 o    12.18000      0.1838000       12.19000 0.2597000       12.16000      0.2602000      0.3365000E-01  0.3676000
  1 1 1      16    9   14 o    6.113000      0.1347000       6.072000 0.1914000       6.153000      0.1896000     -0.8107000E-01  0.2694000
  1 1 1      16    9   15 o    7.367000      0.1326000       7.339000 0.1840000       7.394000      0.1909000     -0.5509000E-01  0.2652000
  1 1 1      16    9   16 o    7.159000      0.1295000       7.090000 0.1762000       7.228000      0.1898000     -0.1381000      0.2589000
  1 1 1      16    9   17 o    8.997000      0.1634000       9.040000 0.2099000       8.954000      0.2504000      0.8622000E-01  0.3267000
  1 1 1      16    9   18 o    19.98000      0.3540000       19.79000 0.5436000       20.16000      0.4537000     -0.3703000      0.7081000
  1 1 1      16    9   19 o    19.93000      0.3423000       19.86000 0.5436000       20.01000      0.4161000     -0.1507000      0.6846000
  1 1 1      16    9   20 o    7.648000      0.1423000       7.517000 0.1925000       7.779000      0.2096000     -0.2625000      0.2846000
  1 1 1      16    9   21 o    8.279000      0.1681000       8.476000 0.1923000       8.082000      0.2757000      0.3944000      0.3362000
  1 1 1      16    9   22 o    6.166000      0.1288000       6.011000 0.1791000       6.320000      0.1852000     -0.3086000      0.2576000
  1 1 1      16    9   23 o    3.164000      0.1704000       3.283000 0.2187000       3.045000      0.2612000      0.2374000      0.3407000
  1 1 1      16    9   24 o    5.462000      0.1298000       5.465000 0.1818000       5.459000      0.1854000      0.5902000E-02  0.2596000
  1 1 1      16    9   25 o    7.650000      0.1416000       7.591000 0.2057000       7.708000      0.1946000     -0.1172000      0.2832000
  1 1 1      16    9   26 o    6.537000      0.1590000       6.521000 0.2376000       6.554000      0.2113000     -0.3240000E-01  0.3180000
  1 1 1      16    9   27 o    10.44000      0.1815000       10.34000 0.2709000       10.54000      0.2418000     -0.2030000      0.3631000
  1 1 1      16    9   28 o    1.735000      0.4377000       1.740000 0.6073000       1.730000      0.6304000      0.9885000E-02  0.8754000
  1 1 1      16    9   29 o    2.452000      0.4588000       2.158000 0.6602000       2.746000      0.6373000     -0.5876000      0.9176000
  1 1 1      16    9   30 o    3.036000      0.4402000       2.341000 0.6815000       3.730000      0.5574000      -1.389000      0.8804000
  1 1 1      16    9   31 o    2.292000      0.4978000       2.704000 0.6609000       1.880000      0.7446000      0.8243000      0.9956000
  1 1 1      16    9   32 o    1.298000      0.4252000       1.312000 0.6029000       1.284000      0.5997000      0.2791000E-01  0.8504000
  1 1 1      16    9   33 o    4.138000      0.3436000       4.041000 0.4973000       4.235000      0.4742000     -0.1932000      0.6871000
  1 1 1      16    9   34 o    3.903000      0.6343000       3.275000 0.9919000       4.531000      0.7908000      -1.256000       1.269000
  1 1 1      16   10    0 o    8.265000      0.1965000       8.125000 0.2753000       8.405000      0.2804000     -0.2795000      0.3930000
  1 1 1      16   10    1 o    10.94000      0.2017000       10.92000 0.2837000       10.96000      0.2868000     -0.3787000E-01  0.4034000
  1 1 1      16   10    2 o    16.68000      0.2525000       16.87000 0.3594000       16.48000      0.3548000      0.3922000      0.5050000
  1 1 1      16   10    3 o    2.207000      0.4148000       1.883000 0.6195000       2.531000      0.5517000     -0.6482000      0.8295000
  1 1 1      16   10    4 o    10.09000      0.1925000       10.16000 0.2750000       10.02000      0.2695000      0.1433000      0.3851000
  1 1 1      16   10    5 o    7.358000      0.2541000       7.463000 0.3679000       7.252000      0.3506000      0.2105000      0.5082000
  1 1 1      16   10    6 o    4.956000      0.2890000       5.516000 0.4052000       4.395000      0.4122000       1.120000      0.5780000
  1 1 1      16   10    7 o    4.915000      0.2414000       5.397000 0.3979000       4.433000      0.2734000      0.9640000      0.4828000
  1 1 1      16   10    8 o    1.662000      0.3894000       1.555000 0.5622000       1.768000      0.5389000     -0.2130000      0.7788000
  1 1 1      16   10    9 o    10.41000      0.1789000       10.22000 0.2524000       10.59000      0.2537000     -0.3721000      0.3578000
  1 1 1      16   10   10 o    16.15000      0.3367000       15.96000 0.4682000       16.33000      0.4839000     -0.3711000      0.6733000
  1 1 1      16   10   11 o    3.486000      0.3488000       3.076000 0.4949000       3.897000      0.4915000     -0.8217000      0.6975000
  1 1 1      16   10   12 o    6.667000      0.1521000       6.715000 0.2135000       6.619000      0.2168000      0.9584000E-01  0.3042000
  1 1 1      16   10   13 o    5.350000      0.1450000       5.619000 0.2024000       5.082000      0.2076000      0.5365000      0.2899000
  1 1 1      16   10   14 o    3.798000      0.1587000       3.618000 0.2387000       3.978000      0.2091000     -0.3602000      0.3173000
  1 1 1      16   10   15 o    4.265000      0.1400000       4.142000 0.1907000       4.388000      0.2050000     -0.2469000      0.2799000
  1 1 1      16   10   16 o    6.597000      0.1637000       6.688000 0.2463000       6.505000      0.2156000      0.1828000      0.3273000
  1 1 1      16   10   17 o    5.268000      0.1835000       4.722000 0.2243000       5.815000      0.2904000      -1.093000      0.3670000
  1 1 1      16   10   18 o    19.80000      0.3560000       19.80000 0.5437000       19.80000      0.4597000      0.3508000E-02  0.7120000
  1 1 1      16   10   19 o    18.59000      0.3635000       18.75000 0.5154000       18.43000      0.5127000      0.3200000      0.7270000
  1 1 1      16   10   20 o    13.99000      0.2615000       14.46000 0.4336000       13.52000      0.2924000      0.9432000      0.5230000
  1 1 1      16   10   21 o    13.21000      0.1911000       13.27000 0.2704000       13.15000      0.2701000      0.1205000      0.3822000
  1 1 1      16   10   22 f    13.94000      0.1975000       13.91000 0.2786000       13.96000      0.2800000     -0.5286000E-01  0.3950000
  1 1 1      16   10   23 o    8.236000      0.1390000       8.285000 0.1961000       8.186000      0.1970000      0.9906000E-01  0.2779000
  1 1 1      16   10   24 o    11.20000      0.1706000       11.11000 0.2418000       11.29000      0.2407000     -0.1791000      0.3412000
  1 1 1      16   10   25 o    5.899000      0.1519000       5.891000 0.2240000       5.907000      0.2053000     -0.1613000E-01  0.3038000
  1 1 1      16   10   26 o    1.539000      0.3949000       1.379000 0.5645000       1.698000      0.5522000     -0.3192000      0.7897000
  1 1 1      16   10   27 o    2.160000      0.4391000       1.757000 0.6873000       2.563000      0.5468000     -0.8067000      0.8783000
  1 1 1      16   10   28 o    1.809000      0.4900000       1.777000 0.7202000       1.841000      0.6646000     -0.6381000E-01  0.9800000
  1 1 1      16   10   29 f    8.123000      0.2902000       7.618000 0.4910000       8.628000      0.3097000      -1.010000      0.5805000
  1 1 1      16   10   30 o    1.923000      0.5059000       1.984000 0.7041000       1.861000      0.7267000      0.1235000       1.012000
  1 1 1      16   10   31 o    3.700000       1.199000       3.700000 1.199000                  ?              ?              ?              ?
  1 1 1      16   10   32 o    3.789000      0.7749000       3.154000 1.146000       4.425000       1.043000      -1.271000       1.550000
  1 1 1      16   10   33 o    2.246000      0.4680000       1.373000 0.6291000       3.120000      0.6930000      -1.747000      0.9360000
  1 1 1      16   10   34 o    2.586000      0.4884000       2.055000 0.7405000       3.117000      0.6370000      -1.061000      0.9768000
  1 1 1      16   11    0 o    8.051000      0.1960000       8.219000 0.2750000       7.882000      0.2793000      0.3369000      0.3919000
  1 1 1      16   11    1 o    8.476000      0.1931000       8.436000 0.2726000       8.515000      0.2737000     -0.7914000E-01  0.3863000
  1 1 1      16   11    2 o    7.000000      0.1960000       6.911000 0.2789000       7.089000      0.2756000     -0.1783000      0.3921000
  1 1 1      16   11    3 o    18.25000      0.2695000       18.29000 0.3820000       18.20000      0.3804000      0.9084000E-01  0.5391000
  1 1 1      16   11    4 o    14.48000      0.2285000       14.42000 0.3236000       14.54000      0.3228000     -0.1165000      0.4571000
  1 1 1      16   11    5 o    13.67000      0.2190000       13.42000 0.3072000       13.93000      0.3121000     -0.5181000      0.4379000
  1 1 1      16   11    6 o    6.810000      0.1872000       6.866000 0.2685000       6.753000      0.2608000      0.1122000      0.3743000
  1 1 1      16   11    7 o    5.001000      0.2664000       5.453000 0.3821000       4.549000      0.3713000      0.9040000      0.5328000
  1 1 1      16   11    8 o    5.485000      0.2478000       5.506000 0.3824000       5.464000      0.3154000      0.4131000E-01  0.4957000
  1 1 1      16   11    9 o    8.059000      0.1676000       8.065000 0.2392000       8.053000      0.2348000      0.1196000E-01  0.3352000
  1 1 1      16   11   10 o    7.185000      0.2443000       7.148000 0.3193000       7.221000      0.3697000     -0.7275000E-01  0.4885000
  1 1 1      16   11   11 o    8.442000      0.1607000       8.394000 0.2280000       8.490000      0.2265000     -0.9562000E-01  0.3214000
  1 1 1      16   11   12 o    3.686000      0.3528000       4.113000 0.3733000       3.258000      0.5988000      0.8557000      0.7057000
  1 1 1      16   11   13 o    9.750000      0.2414000       9.718000 0.3253000       9.782000      0.3568000     -0.6403000E-01  0.4828000
  1 1 1      16   11   14 f    9.775000      0.2396000       9.775000 0.3235000       9.774000      0.3534000      0.1036000E-02  0.4791000
  1 1 1      16   11   15 o    4.329000      0.1455000       4.313000 0.1975000       4.344000      0.2136000     -0.3148000E-01  0.2909000
  1 1 1      16   11   16 o    5.825000      0.1512000       5.675000 0.1906000       5.974000      0.2349000     -0.2990000      0.3025000
  1 1 1      16   11   17 o    8.483000      0.1832000       8.685000 0.2249000       8.281000      0.2893000      0.4037000      0.3664000
  1 1 1      16   11   18 o    10.93000      0.2156000       10.90000 0.2664000       10.96000      0.3390000     -0.6166000E-01  0.4312000
  1 1 1      16   11   19 o    4.166000      0.2275000       4.170000 0.2916000       4.162000      0.3492000      0.8079000E-02  0.4550000
  1 1 1      16   11   20 o    6.724000      0.1626000       6.668000 0.2142000       6.779000      0.2446000     -0.1107000      0.3252000
  1 1 1      16   11   21 o    3.433000      0.1967000       3.476000 0.2480000       3.390000      0.3052000      0.8600000E-01  0.3933000
  1 1 1      16   11   22 o    6.468000      0.1354000       6.465000 0.1856000       6.472000      0.1972000     -0.7068000E-02  0.2708000
  1 1 1      16   11   23 o    9.029000      0.1862000       9.337000 0.2156000       8.721000      0.3036000      0.6166000      0.3724000
  1 1 1      16   11   24 o    11.00000      0.1696000       10.92000 0.2402000       11.07000      0.2396000     -0.1447000      0.3392000
  1 1 1      16   11   25 o    6.074000      0.1691000       6.251000 0.2479000       5.897000      0.2301000      0.3534000      0.3382000
  1 1 1      16   11   26 f    5.544000      0.2611000       5.400000 0.4111000       5.688000      0.3219000     -0.2882000      0.5222000
  1 1 1      16   11   27 o    4.254000      0.5304000       3.544000 0.9253000       4.964000      0.5187000      -1.420000       1.061000
  1 1 1      16   11   28 o    4.877000      0.5526000       4.318000 0.9303000       5.435000      0.5968000      -1.117000       1.105000
  1 1 1      16   11   30 o    4.428000      0.4171000       4.850000 0.6369000       4.006000      0.5387000      0.8438000      0.8342000
  1 1 1      16   11   31 o    6.062000      0.5095000       6.062000 0.5095000                  ?              ?              ?              ?
  1 1 1      16   11   32 o    3.277000      0.4850000       3.236000 0.7194000       3.318000      0.6507000     -0.8105000E-01  0.9700000
  1 1 1      16   11   33 o    4.089000      0.5887000                  ?       ?   4.089000      0.5887000                  ?              ?
  1 1 1      16   11   34 o    1.487000      0.4729000       1.707000 0.7264000       1.268000      0.6056000      0.4397000      0.9457000
  1 1 1      16   12    0 o    5.362000      0.2303000       5.461000 0.3299000       5.264000      0.3214000      0.1962000      0.4606000
  1 1 1      16   12    1 o    10.21000      0.2005000       10.11000 0.2830000       10.32000      0.2841000     -0.2073000      0.4010000
  1 1 1      16   12    2 o    8.662000      0.1973000       8.418000 0.2736000       8.906000      0.2842000     -0.4885000      0.3945000
  1 1 1      16   12    3 o    10.80000      0.2820000       10.80000 0.2820000                  ?              ?              ?              ?
  1 1 1      16   12    4 o    3.388000      0.2966000       3.887000 0.3777000       2.889000      0.4574000      0.9973000      0.5932000
  1 1 1      16   12    5 o    12.63000      0.2961000                  ?       ?   12.63000      0.2961000                  ?              ?
  1 1 1      16   12    6 o    5.943000      0.1917000       5.610000 0.2800000       6.276000      0.2620000     -0.6656000      0.3834000
  1 1 1      16   12    7 o    5.584000      0.1922000       5.458000 0.2784000       5.710000      0.2651000     -0.2524000      0.3845000
  1 1 1      16   12    8 o    13.19000      0.2069000       13.32000 0.2949000       13.06000      0.2903000      0.2620000      0.4138000
  1 1 1      16   12    9 o    6.435000      0.2258000       6.302000 0.3396000       6.569000      0.2979000     -0.2670000      0.4517000
  1 1 1      16   12   10 o    11.58000      0.2547000       11.53000 0.3677000       11.63000      0.3526000     -0.1041000      0.5094000
  1 1 1      16   12   11 o    11.33000      0.2463000       11.17000 0.3525000       11.48000      0.3440000     -0.3137000      0.4926000
  1 1 1      16   12   12 o    2.829000      0.2248000       3.059000 0.3095000       2.599000      0.3261000      0.4603000      0.4496000
  1 1 1      16   12   13 o    12.52000      0.1874000       12.57000 0.2647000       12.47000      0.2653000      0.9959000E-01  0.3747000
  1 1 1      16   12   14 o    1.063000      0.3135000      0.9851000 0.4235000       1.140000      0.4625000     -0.1548000      0.6271000
  1 1 1      16   12   15 o    8.634000      0.1549000       8.701000 0.2102000       8.567000      0.2275000      0.1339000      0.3098000
  1 1 1      16   12   16 o    7.443000      0.2181000       7.500000 0.2882000       7.385000      0.3275000      0.1152000      0.4363000
  1 1 1      16   12   17 o    6.166000      0.2123000       6.418000 0.2694000       5.914000      0.3282000      0.5040000      0.4246000
  1 1 1      16   12   18 o    8.010000      0.2094000       7.877000 0.2797000       8.143000      0.3117000     -0.2660000      0.4188000
  1 1 1      16   12   19 o    13.23000      0.2703000       13.40000 0.3828000       13.06000      0.3818000      0.3400000      0.5406000
  1 1 1      16   12   20 f    3.529000      0.2366000       3.552000 0.3046000       3.506000      0.3621000      0.4653000E-01  0.4731000
  1 1 1      16   12   21 o    13.67000      0.2748000       13.90000 0.3923000       13.44000      0.3848000      0.4679000      0.5495000
  1 1 1      16   12   22 o    9.643000      0.2133000       9.587000 0.3013000       9.698000      0.3020000     -0.1104000      0.4266000
  1 1 1      16   12   23 o    7.018000      0.1907000       6.776000 0.2689000       7.261000      0.2704000     -0.4851000      0.3814000
  1 1 1      16   12   24 o    6.551000      0.1929000       6.206000 0.3242000       6.896000      0.2091000     -0.6897000      0.3858000
  1 1 1      16   12   25 o    6.162000      0.1755000       5.889000 0.2688000       6.434000      0.2259000     -0.5450000      0.3511000
  1 1 1      16   12   26 o    2.247000      0.4226000       1.928000 0.6862000       2.567000      0.4933000     -0.6386000      0.8451000
  1 1 1      16   12   27 o    1.656000      0.4710000       1.830000 0.7178000       1.481000      0.6101000      0.3494000      0.9420000
  1 1 1      16   12   28 o    6.364000      0.2664000       5.770000 0.4370000       6.959000      0.3050000      -1.188000      0.5329000
  1 1 1      16   12   29 o    1.958000      0.5378000       2.229000 0.8149000       1.688000      0.7021000      0.5408000       1.076000
  1 1 1      16   12   30 o    4.555000      0.4346000       4.898000 0.6418000       4.213000      0.5861000      0.6850000      0.8692000
  1 1 1      16   12   31 o    3.273000      0.5833000       3.782000 0.8255000       2.764000      0.8242000       1.017000       1.167000
  1 1 1      16   12   32 f    2.954000      0.5875000       2.639000 0.9081000       3.270000      0.7457000     -0.6306000       1.175000
  1 1 1      16   12   33 o    2.702000      0.7749000                  ?       ?   2.702000      0.7749000                  ?              ?
  1 1 1      16   12   34 o    2.208000      0.5537000       2.087000 0.7618000       2.330000      0.8036000     -0.2423000       1.107000
  1 1 1      16   13    0 o    5.875000      0.2284000       6.042000 0.3167000       5.708000      0.3292000      0.3341000      0.4568000
  1 1 1      16   13    1 o    2.660000      0.4101000       2.094000 0.6558000       3.226000      0.4927000      -1.131000      0.8203000
  1 1 1      16   13    2 f    11.13000      0.2037000       11.14000 0.2863000       11.12000      0.2899000      0.1569000E-01  0.4074000
  1 1 1      16   13    3 o    18.13000      0.3783000       18.13000 0.3783000                  ?              ?              ?              ?
  1 1 1      16   13    4 o    11.07000      0.2003000       11.11000 0.2865000       11.04000      0.2800000      0.7477000E-01  0.4006000
  1 1 1      16   13    5 o    4.694000      0.3063000                  ?       ?   4.694000      0.3063000                  ?              ?
  1 1 1      16   13    6 o    7.223000      0.1826000       7.128000 0.2611000       7.318000      0.2554000     -0.1892000      0.3653000
  1 1 1      16   13    7 o    2.037000      0.3865000       1.931000 0.5702000       2.142000      0.5219000     -0.2111000      0.7730000
  1 1 1      16   13    8 o    10.83000      0.1851000       10.72000 0.2610000       10.94000      0.2625000     -0.2196000      0.3702000
  1 1 1      16   13    9 o    7.978000      0.1661000       7.860000 0.2342000       8.097000      0.2356000     -0.2372000      0.3322000
  1 1 1      16   13   10 f    5.063000      0.1754000       5.026000 0.2485000       5.101000      0.2475000     -0.7509000E-01  0.3507000
  1 1 1      16   13   11 o    6.467000      0.2011000       6.671000 0.3048000       6.264000      0.2625000      0.4063000      0.4023000
  1 1 1      16   13   12 o    1.757000      0.3673000       1.640000 0.5714000       1.874000      0.4616000     -0.2347000      0.7346000
  1 1 1      16   13   13 o    8.563000      0.1988000       8.718000 0.2868000       8.409000      0.2754000      0.3097000      0.3977000
  1 1 1      16   13   14 o    2.792000      0.2752000       3.105000 0.3353000       2.479000      0.4366000      0.6255000      0.5505000
  1 1 1      16   13   15 o    4.546000      0.2689000       4.551000 0.3480000       4.541000      0.4100000      0.9566000E-02  0.5378000
  1 1 1      16   13   16 o    5.289000      0.2742000       5.404000 0.4495000       5.174000      0.3141000      0.2304000      0.5484000
  1 1 1      16   13   17 o    3.164000      0.3428000       3.391000 0.3519000       2.936000      0.5884000      0.4557000      0.6856000
  1 1 1      16   13   18 o    7.373000      0.2001000       7.563000 0.2635000       7.182000      0.3011000      0.3811000      0.4001000
  1 1 1      16   13   19 o    11.50000      0.2226000       11.36000 0.2888000       11.65000      0.3387000     -0.2817000      0.4451000
  1 1 1      16   13   20 o    1.534000      0.3809000       1.649000 0.5089000       1.419000      0.5669000      0.2294000      0.7618000
  1 1 1      16   13   21 o    10.26000      0.1762000       10.45000 0.2449000       10.08000      0.2534000      0.3719000      0.3524000
  1 1 1      16   13   22 o    6.409000      0.1599000       6.388000 0.2222000       6.430000      0.2300000     -0.4240000E-01  0.3198000
  1 1 1      16   13   23 o    7.201000      0.1995000       7.436000 0.3359000       6.966000      0.2152000      0.4697000      0.3989000
  1 1 1      16   13   24 o    3.705000      0.3332000       3.646000 0.4947000       3.763000      0.4465000     -0.1167000      0.6664000
  1 1 1      16   13   25 o    5.773000      0.2606000       5.551000 0.4018000       5.995000      0.3321000     -0.4444000      0.5212000
  1 1 1      16   13   27 o    10.21000      0.2686000       10.72000 0.3971000       9.707000      0.3618000       1.014000      0.5372000
  1 1 1      16   13   28 o    7.136000      0.3021000       7.160000 0.4547000       7.111000      0.3977000      0.4845000E-01  0.6041000
  1 1 1      16   13   29 o    5.184000      0.3622000       6.146000 0.5207000       4.222000      0.5036000       1.924000      0.7244000
  1 1 1      16   13   30 o    6.364000      0.3306000       5.883000 0.5402000       6.845000      0.3812000     -0.9626000      0.6611000
  1 1 1      16   13   31 o    2.844000      0.5610000       2.415000 0.8808000       3.274000      0.6950000     -0.8595000       1.122000
  1 1 1      16   13   32 o    3.892000      0.4836000       3.390000 0.7553000       4.394000      0.6041000      -1.004000      0.9671000
  1 1 1      16   13   33 o    1.448000      0.4720000       1.344000 0.6370000       1.552000      0.6967000     -0.2080000      0.9440000
  1 1 1      16   13   34 o    2.431000      0.5905000       2.166000 0.8318000       2.696000      0.8383000     -0.5296000       1.181000
  1 1 1      16   14    0 f    1.790000      0.4525000       1.786000 0.6417000       1.794000      0.6381000     -0.7908000E-02  0.9049000
  1 1 1      16   14    1 o    11.31000      0.2068000       11.55000 0.2971000       11.08000      0.2878000      0.4750000      0.4137000
  1 1 1      16   14    2 o    16.80000      0.2546000       16.46000 0.3532000       17.14000      0.3668000     -0.6865000      0.5092000
  1 1 1      16   14    3 o    10.66000      0.1978000       11.29000 0.2887000       10.02000      0.2705000       1.263000      0.3956000
  1 1 1      16   14    4 o    15.54000      0.2387000       15.40000 0.3353000       15.69000      0.3397000     -0.2864000      0.4773000
  1 1 1      16   14    5 o    5.069000      0.2117000       4.846000 0.3090000       5.292000      0.2896000     -0.4458000      0.4235000
  1 1 1      16   14    6 o    9.604000      0.1852000       9.365000 0.2618000       9.843000      0.2621000     -0.4789000      0.3705000
  1 1 1      16   14    7 o    2.687000      0.3209000       2.844000 0.4322000       2.530000      0.4743000      0.3137000      0.6417000
  1 1 1      16   14    8 o    2.255000      0.3492000       2.288000 0.5176000       2.222000      0.4689000      0.6588000E-01  0.6984000
  1 1 1      16   14    9 o    15.42000      0.2285000       15.50000 0.3227000       15.33000      0.3237000      0.1700000      0.4570000
  1 1 1      16   14   10 o    3.522000      0.2135000       3.267000 0.3263000       3.777000      0.2754000     -0.5103000      0.4270000
  1 1 1      16   14   11 o    4.627000      0.1749000       4.589000 0.2523000       4.666000      0.2423000     -0.7689000E-01  0.3498000
  1 1 1      16   14   12 o    11.83000      0.1835000       11.87000 0.2579000       11.78000      0.2610000      0.9012000E-01  0.3669000
  1 1 1      16   14   13 o    2.278000      0.2823000       2.120000 0.4017000       2.436000      0.3966000     -0.3154000      0.5645000
  1 1 1      16   14   14 o    4.163000      0.1986000       4.326000 0.2450000       4.000000      0.3127000      0.3266000      0.3973000
  1 1 1      16   14   15 o    8.047000      0.1683000       8.136000 0.2210000       7.957000      0.2539000      0.1789000      0.3366000
  1 1 1      16   14   16 f    3.050000      0.3536000       2.857000 0.4454000       3.243000      0.5494000     -0.3860000      0.7073000
  1 1 1      16   14   17 o    3.232000      0.3456000       3.596000 0.3721000       2.868000      0.5825000      0.7284000      0.6912000
  1 1 1      16   14   18 f    2.483000      0.8919000       1.070000 0.4913000       3.896000       1.715000      -2.827000       1.784000
  1 1 1      16   14   19 o    3.577000       1.038000       3.066000 1.161000       4.089000       1.721000      -1.024000       2.076000
  1 1 1      16   14   20 o    2.924000      0.7715000       1.672000 0.7832000       4.176000       1.330000      -2.504000       1.543000
  1 1 1      16   14   21 o    2.858000      0.2998000       2.922000 0.4199000       2.794000      0.4282000      0.1281000      0.5997000
  1 1 1      16   14   22 o    7.209000      0.1670000       7.168000 0.2348000       7.250000      0.2375000     -0.8177000E-01  0.3340000
  1 1 1      16   14   23 o    7.262000      0.1671000       7.331000 0.2419000       7.193000      0.2306000      0.1376000      0.3342000
  1 1 1      16   14   24 o    10.11000      0.1808000       10.43000 0.2660000       9.785000      0.2449000      0.6433000      0.3616000
  1 1 1      16   14   25 o    2.672000      0.3886000       2.078000 0.6585000       3.267000      0.4126000      -1.189000      0.7771000
  1 1 1      16   14   26 o    5.436000      0.2559000       5.175000 0.4085000       5.697000      0.3083000     -0.5220000      0.5118000
  1 1 1      16   14   27 o    5.957000      0.2651000       5.811000 0.4054000       6.102000      0.3416000     -0.2908000      0.5302000
  1 1 1      16   14   28 o    3.217000      0.4854000       2.620000 0.8234000       3.813000      0.5144000      -1.193000      0.9708000
  1 1 1      16   14   29 o    3.155000      0.5510000       3.178000 0.8702000       3.133000      0.6761000      0.4520000E-01   1.102000
  1 1 1      16   14   30 o    8.531000      0.2892000       8.357000 0.4500000       8.706000      0.3635000     -0.3490000      0.5784000
  1 1 1      16   14   31 o    2.749000      0.6131000       2.729000 0.9304000       2.770000      0.7987000     -0.4167000E-01   1.226000
  1 1 1      16   14   32 o    1.791000      0.5503000       2.098000 0.8493000       1.485000      0.6999000      0.6135000       1.101000
  1 1 1      16   14   33 o    2.443000      0.5833000       2.074000 0.8200000       2.811000      0.8299000     -0.7371000       1.167000
  1 1 1      16   15    0 f    6.110000      0.2271000       5.945000 0.3325000       6.276000      0.3095000     -0.3307000      0.4543000
  1 1 1      16   15    1 o    1.691000      0.4453000       1.814000 0.6606000       1.568000      0.5972000      0.2466000      0.8905000
  1 1 1      16   15    2 o    6.487000      0.2088000       6.578000 0.2975000       6.396000      0.2929000      0.1822000      0.4175000
  1 1 1      16   15    3 o    12.32000      0.2119000       12.32000 0.2971000       12.31000      0.3023000      0.1077000E-01  0.4238000
  1 1 1      16   15    4 o    8.780000      0.1911000       9.051000 0.2718000       8.508000      0.2687000      0.5439000      0.3822000
  1 1 1      16   15    5 o    3.099000      0.3271000       2.472000 0.5540000       3.726000      0.3479000      -1.254000      0.6542000
  1 1 1      16   15    6 o    12.83000      0.2084000       12.86000 0.2946000       12.80000      0.2948000      0.5645000E-01  0.4168000
  1 1 1      16   15    7 o    4.160000      0.2276000       4.020000 0.3346000       4.300000      0.3086000     -0.2800000      0.4552000
  1 1 1      16   15    8 o    3.008000      0.2709000       3.205000 0.3572000       2.812000      0.4074000      0.3927000      0.5418000
  1 1 1      16   15    9 o    13.71000      0.2096000       13.89000 0.2975000       13.52000      0.2952000      0.3692000      0.4191000
  1 1 1      16   15   10 o    3.282000      0.2333000       3.318000 0.3338000       3.246000      0.3261000      0.7190000E-01  0.4667000
  1 1 1      16   15   11 o    1.789000      0.3500000       1.841000 0.4952000       1.738000      0.4947000      0.1026000      0.7000000
  1 1 1      16   15   12 o    9.112000      0.1607000       9.132000 0.2221000       9.092000      0.2323000      0.3980000E-01  0.3213000
  1 1 1      16   15   13 o    4.433000      0.1819000       4.255000 0.2535000       4.611000      0.2608000     -0.3552000      0.3637000
  1 1 1      16   15   14 f    11.21000      0.1848000       11.12000 0.2502000       11.31000      0.2721000     -0.1938000      0.3697000
  1 1 1      16   15   15 o    6.268000      0.1982000       6.324000 0.2482000       6.212000      0.3089000      0.1117000      0.3963000
  1 1 1      16   15   16 o    9.985000      0.2084000       10.33000 0.2694000       9.639000      0.3179000      0.6915000      0.4167000
  1 1 1      16   15   17 o    7.687000      0.2153000       7.990000 0.2690000       7.383000      0.3363000      0.6070000      0.4306000
  1 1 1      16   15   18 o    2.231000      0.4336000       1.793000 0.5872000       2.668000      0.6383000     -0.8745000      0.8673000
  1 1 1      16   15   19 o    4.884000      0.2394000       4.830000 0.3006000       4.938000      0.3726000     -0.1083000      0.4788000
  1 1 1      16   15   20 o    5.720000      0.2186000       5.324000 0.3020000       6.116000      0.3161000     -0.7928000      0.4372000
  1 1 1      16   15   21 o    8.258000      0.1858000       8.203000 0.2545000       8.312000      0.2709000     -0.1092000      0.3717000
  1 1 1      16   15   22 o    6.754000      0.1796000       6.437000 0.2520000       7.072000      0.2561000     -0.6346000      0.3593000
  1 1 1      16   15   23 o    9.987000      0.1876000       10.19000 0.2706000       9.785000      0.2599000      0.4040000      0.3752000
  1 1 1      16   15   24 o    1.182000      0.3806000       1.015000 0.4914000       1.349000      0.5813000     -0.3339000      0.7612000
  1 1 1      16   15   25 o    12.90000      0.2140000       13.00000 0.3156000       12.80000      0.2891000      0.2019000      0.4280000
  1 1 1      16   15   26 o    8.215000      0.2198000       8.028000 0.3364000       8.403000      0.2828000     -0.3747000      0.4395000
  1 1 1      16   15   27 o    2.699000      0.4976000       3.066000 0.7025000       2.333000      0.7050000      0.7340000      0.9953000
  1 1 1      16   15   28 o    2.168000      0.4737000       1.361000 0.6500000       2.975000      0.6893000      -1.614000      0.9475000
  1 1 1      16   15   29 o    2.723000      0.5829000       2.953000 0.8803000       2.493000      0.7643000      0.4599000       1.166000
  1 1 1      16   15   30 o    6.201000      0.3730000       5.496000 0.6239000       6.907000      0.4090000      -1.411000      0.7460000
  1 1 1      16   15   31 o    2.538000      0.5925000       2.140000 0.8788000       2.935000      0.7949000     -0.7947000       1.185000
  1 1 1      16   15   32 o    1.868000      0.8161000       1.868000 0.8161000                  ?              ?              ?              ?
  1 1 1      16   15   33 o    2.541000      0.6329000       2.703000 0.9233000       2.380000      0.8659000      0.3222000       1.266000
  1 1 1      16   16    0 o    6.392000      0.2224000       6.583000 0.3104000       6.201000      0.3186000      0.3823000      0.4448000
  1 1 1      16   16    1 o    2.973000      0.3595000       2.992000 0.5189000       2.954000      0.4977000      0.3781000E-01  0.7190000
  1 1 1      16   16    2 o    1.568000      0.4386000       1.526000 0.6189000       1.611000      0.6218000     -0.8555000E-01  0.8773000
  1 1 1      16   16    3 o    3.910000      0.2743000       3.661000 0.4103000       4.159000      0.3642000     -0.4984000      0.5486000
  1 1 1      16   16    4 o    7.566000      0.1908000       7.564000 0.2663000       7.567000      0.2732000     -0.3231000E-02  0.3815000
  1 1 1      16   16    5 o    6.737000      0.1922000       6.601000 0.2690000       6.874000      0.2745000     -0.2734000      0.3844000
  1 1 1      16   16    6 o    8.905000      0.1846000       8.667000 0.2633000       9.144000      0.2589000     -0.4771000      0.3692000
  1 1 1      16   16    7 o    4.675000      0.2093000       4.535000 0.3057000       4.815000      0.2860000     -0.2803000      0.4186000
  1 1 1      16   16    8 o    4.423000      0.2028000       4.264000 0.3004000       4.582000      0.2724000     -0.3177000      0.4055000
  1 1 1      16   16    9 o    6.561000      0.1682000       6.490000 0.2359000       6.632000      0.2397000     -0.1418000      0.3363000
  1 1 1      16   16   10 o    1.856000      0.3533000       1.514000 0.5330000       2.198000      0.4639000     -0.6841000      0.7066000
  1 1 1      16   16   11 o    6.396000      0.1598000       6.329000 0.2206000       6.463000      0.2312000     -0.1336000      0.3195000
  1 1 1      16   16   12 o    4.027000      0.2010000       4.056000 0.2737000       3.998000      0.2944000      0.5822000E-01  0.4020000
  1 1 1      16   16   13 o    3.449000      0.2509000       3.262000 0.3342000       3.635000      0.3742000     -0.3726000      0.5017000
  1 1 1      16   16   14 o    12.46000      0.2001000       12.69000 0.2775000       12.24000      0.2885000      0.4477000      0.4003000
  1 1 1      16   16   15 o    12.24000      0.2139000       12.27000 0.2802000       12.20000      0.3233000      0.7069000E-01  0.4279000
  1 1 1      16   16   16 o    12.24000      0.2423000       12.26000 0.2888000       12.22000      0.3893000      0.3092000E-01  0.4847000
  1 1 1      16   16   17 o    7.058000      0.2178000       7.172000 0.2712000       6.944000      0.3410000      0.2288000      0.4357000
  1 1 1      16   16   18 o    2.791000      0.3875000       2.786000 0.4747000       2.797000      0.6126000     -0.1119000E-01  0.7750000
  1 1 1      16   16   19 o    2.808000      0.3871000       3.324000 0.4154000       2.292000      0.6534000       1.031000      0.7743000
  1 1 1      16   16   20 o    4.153000      0.2697000       3.664000 0.4003000       4.641000      0.3616000     -0.9770000      0.5395000
  1 1 1      16   16   21 o    5.611000      0.2217000       5.223000 0.3123000       5.998000      0.3147000     -0.7749000      0.4433000
  1 1 1      16   16   22 o    8.782000      0.1912000       8.807000 0.2711000       8.757000      0.2696000      0.5094000E-01  0.3823000
  1 1 1      16   16   23 o    3.164000      0.3944000       3.452000 0.5029000       2.876000      0.6077000      0.5752000      0.7888000
  1 1 1      16   16   24 o    11.31000      0.2001000       11.15000 0.2864000       11.47000      0.2796000     -0.3226000      0.4002000
  1 1 1      16   16   25 o    13.06000      0.2251000       12.99000 0.3308000       13.12000      0.3054000     -0.1316000      0.4502000
  1 1 1      16   16   26 o    8.968000      0.2244000       8.828000 0.3375000       9.108000      0.2960000     -0.2797000      0.4489000
  1 1 1      16   16   27 o    2.530000      0.5388000       2.681000 0.7904000       2.378000      0.7324000      0.3035000       1.078000
  1 1 1      16   16   28 o    6.824000      0.2997000       6.398000 0.4808000       7.251000      0.3578000     -0.8525000      0.5994000
  1 1 1      16   16   29 o    1.933000      0.5488000       1.722000 0.7780000       2.144000      0.7744000     -0.4221000       1.098000
  1 1 1      16   16   30 o    3.203000      0.6097000       3.436000 0.9219000       2.970000      0.7981000      0.4663000       1.219000
  1 1 1      16   16   31 o    4.889000      0.4547000       5.320000 0.6720000       4.458000      0.6129000      0.8614000      0.9095000
  1 1 1      16   16   32 f    3.903000      0.8424000       3.903000 0.8424000                  ?              ?              ?              ?
  1 1 1      16   16   33 o    2.052000      0.5957000       2.023000 0.8505000       2.081000      0.8344000     -0.5836000E-01   1.191000
  1 1 1      16   17    0 o    4.171000      0.2840000       4.162000 0.4308000       4.180000      0.3702000     -0.1858000E-01  0.5680000
  1 1 1      16   17    1 o    6.256000      0.2126000       6.435000 0.2953000       6.078000      0.3059000      0.3572000      0.4252000
  1 1 1      16   17    2 o    6.823000      0.2043000       6.793000 0.2935000       6.853000      0.2844000     -0.5955000E-01  0.4087000
  1 1 1      16   17    3 o    7.266000      0.1974000       7.321000 0.2820000       7.210000      0.2763000      0.1106000      0.3948000
  1 1 1      16   17    4 f    8.865000      0.2705000       8.865000 0.2705000                  ?              ?              ?              ?
  1 1 1      16   17    5 o    7.794000      0.1861000       7.683000 0.2628000       7.906000      0.2636000     -0.2226000      0.3723000
  1 1 1      16   17    6 o    5.418000      0.2820000                  ?       ?   5.418000      0.2820000                  ?              ?
  1 1 1      16   17    7 f    6.460000      0.1823000       6.637000 0.2559000       6.282000      0.2598000      0.3553000      0.3647000
  1 1 1      16   17    8 o    7.562000      0.1721000       7.638000 0.2443000       7.485000      0.2426000      0.1526000      0.3443000
  1 1 1      16   17    9 o    1.768000      0.3748000       1.749000 0.5286000       1.787000      0.5314000     -0.3731000E-01  0.7495000
  1 1 1      16   17   10 o    7.347000      0.1670000       7.370000 0.2359000       7.323000      0.2365000      0.4724000E-01  0.3340000
  1 1 1      16   17   11 o    5.602000      0.1760000       5.611000 0.2406000       5.593000      0.2570000      0.1804000E-01  0.3521000
  1 1 1      16   17   12 o    4.035000      0.2140000       3.975000 0.2935000       4.095000      0.3114000     -0.1200000      0.4279000
  1 1 1      16   17   13 o    2.731000      0.3575000       2.573000 0.4798000       2.889000      0.5301000     -0.3159000      0.7149000
  1 1 1      16   17   14 o    8.452000      0.1840000       8.742000 0.2397000       8.162000      0.2791000      0.5804000      0.3679000
  1 1 1      16   17   15 o    4.874000      0.2774000       5.447000 0.2980000       4.300000      0.4681000       1.148000      0.5549000
  1 1 1      16   17   16 o    5.963000      0.2332000       5.734000 0.2971000       6.192000      0.3596000     -0.4581000      0.4664000
  1 1 1      16   17   17 o    9.500000      0.2231000       9.693000 0.2965000       9.306000      0.3334000      0.3871000      0.4462000
  1 1 1      16   17   18 o    10.19000      0.2302000       10.24000 0.3017000       10.14000      0.3478000      0.9952000E-01  0.4604000
  1 1 1      16   17   19 o    7.228000      0.2208000       7.442000 0.2929000       7.015000      0.3304000      0.4265000      0.4415000
  1 1 1      16   17   20 o    3.929000      0.3037000       3.277000 0.4790000       4.581000      0.3735000      -1.304000      0.6074000
  1 1 1      16   17   21 f    8.204000      0.2049000       8.143000 0.2786000       8.265000      0.3005000     -0.1224000      0.4098000
  1 1 1      16   17   22 o    6.521000      0.2320000       6.571000 0.3137000       6.471000      0.3417000      0.9983000E-01  0.4639000
  1 1 1      16   17   23 o    5.257000      0.2681000       5.803000 0.3614000       4.710000      0.3961000       1.093000      0.5362000
  1 1 1      16   17   24 o    7.256000      0.2150000       6.993000 0.3231000       7.518000      0.2837000     -0.5248000      0.4299000
  1 1 1      16   17   25 o    4.117000      0.3661000       4.239000 0.5335000       3.996000      0.5014000      0.2438000      0.7321000
  1 1 1      16   17   26 o    5.655000      0.2864000       5.627000 0.4331000       5.682000      0.3750000     -0.5483000E-01  0.5729000
  1 1 1      16   17   27 o    5.093000      0.3552000       4.676000 0.5618000       5.509000      0.4347000     -0.8329000      0.7103000
  1 1 1      16   17   28 o    4.908000      0.4134000       4.622000 0.6697000       5.194000      0.4850000     -0.5722000      0.8269000
  1 1 1      16   17   29 o    1.953000      0.5746000       2.363000 0.9092000       1.543000      0.7029000      0.8206000       1.149000
  1 1 1      16   17   30 o    2.646000      0.6356000       2.875000 0.9517000       2.417000      0.8428000      0.4575000       1.271000
  1 1 1      16   17   31 o    2.981000      0.6467000       3.316000 0.9566000       2.645000      0.8704000      0.6711000       1.293000
  1 1 1      16   17   32 o    2.670000      0.6120000       2.584000 0.9631000       2.755000      0.7554000     -0.1708000       1.224000
  1 1 1      16   18    0 o    3.120000      0.5967000       2.793000 0.7740000       3.446000      0.9083000     -0.6523000       1.193000
  1 1 1      16   18    1 o    3.459000      0.5324000       4.104000 0.5373000       2.814000      0.9194000       1.290000       1.065000
  1 1 1      16   18    2 o    7.813000      0.2022000       7.756000 0.2880000       7.871000      0.2838000     -0.1154000      0.4043000
  1 1 1      16   18    3 o    1.245000      0.3896000       1.313000 0.5673000       1.176000      0.5342000      0.1375000      0.7792000
  1 1 1      16   18    4 o    3.032000      0.4875000       3.032000 0.4875000                  ?              ?              ?              ?
  1 1 1      16   18    5 o    5.100000      0.2116000       4.924000 0.3102000       5.276000      0.2881000     -0.3515000      0.4233000
  1 1 1      16   18    6 o    4.028000      0.3370000                  ?       ?   4.028000      0.3370000                  ?              ?
  1 1 1      16   18    7 o    6.083000      0.1864000       6.135000 0.2597000       6.030000      0.2676000      0.1050000      0.3729000
  1 1 1      16   18    8 o    8.413000      0.1964000       8.182000 0.2446000       8.643000      0.3072000     -0.4611000      0.3927000
  1 1 1      16   18    9 o    6.642000      0.1750000       6.423000 0.2445000       6.862000      0.2505000     -0.4389000      0.3500000
  1 1 1      16   18   10 o    9.868000      0.2124000       9.945000 0.3390000       9.791000      0.2559000      0.1539000      0.4247000
  1 1 1      16   18   11 o    4.557000      0.2057000       4.404000 0.2936000       4.710000      0.2880000     -0.3054000      0.4113000
  1 1 1      16   18   12 o    4.130000      0.2443000       4.340000 0.3045000       3.920000      0.3821000      0.4208000      0.4886000
  1 1 1      16   18   13 o    2.427000      0.3956000       2.387000 0.5199000       2.467000      0.5964000     -0.7950000E-01  0.7912000
  1 1 1      16   18   14 o    5.761000      0.2264000       5.500000 0.2823000       6.022000      0.3542000     -0.5221000      0.4529000
  1 1 1      16   18   15 o    3.245000      0.3835000       3.574000 0.4079000       2.916000      0.6495000      0.6575000      0.7670000
  1 1 1      16   18   16 o    10.88000      0.2316000       11.44000 0.3079000       10.31000      0.3462000       1.135000      0.4633000
  1 1 1      16   18   17 o    8.627000      0.2367000       8.982000 0.3212000       8.271000      0.3479000      0.7110000      0.4735000
  1 1 1      16   18   18 o    10.06000      0.2300000       10.02000 0.3022000       10.10000      0.3468000     -0.8172000E-01  0.4600000
  1 1 1      16   18   19 o    5.627000      0.2493000       5.759000 0.3334000       5.494000      0.3708000      0.2647000      0.4986000
  1 1 1      16   18   20 f    3.928000      0.3200000       3.741000 0.4437000       4.114000      0.4612000     -0.3733000      0.6400000
  1 1 1      16   18   21 o    12.73000      0.2288000       12.85000 0.3179000       12.61000      0.3292000      0.2380000      0.4577000
  1 1 1      16   18   22 o    1.980000      0.5175000       1.980000 0.7477000       1.980000      0.7156000      0.5469000E-03   1.035000
  1 1 1      16   18   23 o    9.958000      0.2155000       9.698000 0.3138000       10.22000      0.2956000     -0.5190000      0.4311000
  1 1 1      16   18   24 o    2.021000      0.5142000       2.156000 0.7514000       1.885000      0.7021000      0.2706000       1.028000
  1 1 1      16   18   25 o    4.046000      0.4013000       4.534000 0.5080000       3.558000      0.6213000      0.9760000      0.8026000
  1 1 1      16   18   26 o    5.774000      0.3033000       6.094000 0.4491000       5.453000      0.4078000      0.6407000      0.6066000
  1 1 1      16   18   27 o    2.081000      0.5046000       1.416000 0.6653000       2.746000      0.7588000      -1.330000       1.009000
  1 1 1      16   18   28 o    5.708000      0.3684000       5.724000 0.5641000       5.692000      0.4741000      0.3218000E-01  0.7369000
  1 1 1      16   18   29 o    3.454000      0.5828000       2.749000 0.9538000       4.159000      0.6699000      -1.409000       1.166000
  1 1 1      16   18   30 o    3.061000      0.6213000       2.600000 0.9732000       3.522000      0.7725000     -0.9216000       1.243000
  1 1 1      16   18   31 o    3.486000      0.6094000       2.742000 0.9711000       4.230000      0.7365000      -1.488000       1.219000
  1 1 1      16   18   32 o    2.172000      0.6315000       2.382000 0.9410000       1.962000      0.8424000      0.4200000       1.263000
  1 1 1      16   19    0 o    5.218000      0.2485000       5.273000 0.3534000       5.164000      0.3494000      0.1091000      0.4970000
  1 1 1      16   19    1 o    4.461000      0.3104000       4.895000 0.4944000       4.027000      0.3755000      0.8684000      0.6208000
  1 1 1      16   19    2 o    3.284000      0.5420000       2.380000 0.7511000       4.188000      0.7816000      -1.808000       1.084000
  1 1 1      16   19    3 o    11.62000      0.3142000       11.59000 0.4171000       11.65000      0.4700000     -0.6683000E-01  0.6283000
  1 1 1      16   19    4 o    3.862000      0.4852000       3.944000 0.5636000       3.780000      0.7901000      0.1634000      0.9705000
  1 1 1      16   19    5 o    5.556000      0.2067000       5.266000 0.2985000       5.845000      0.2860000     -0.5785000      0.4134000
  1 1 1      16   19    6 f    3.094000      0.3124000       2.965000 0.4679000       3.223000      0.4139000     -0.2574000      0.6247000
  1 1 1      16   19    7 o    3.537000      0.2602000       3.216000 0.3977000       3.858000      0.3357000     -0.6429000      0.5205000
  1 1 1      16   19    8 o    3.763000      0.2530000       3.727000 0.3646000       3.799000      0.3509000     -0.7158000E-01  0.5060000
  1 1 1      16   19    9 o    6.776000      0.1790000       6.643000 0.2503000       6.909000      0.2561000     -0.2653000      0.3581000
  1 1 1      16   19   10 o    11.80000      0.1956000       11.75000 0.2714000       11.84000      0.2817000     -0.9098000E-01  0.3912000
  1 1 1      16   19   11 o    1.805000      0.4034000       1.332000 0.5514000       2.278000      0.5890000     -0.9453000      0.8068000
  1 1 1      16   19   12 o    4.072000      0.2710000       4.235000 0.3307000       3.910000      0.4294000      0.3249000      0.5420000
  1 1 1      16   19   13 o    4.501000      0.2495000       4.309000 0.3306000       4.694000      0.3737000     -0.3851000      0.4989000
  1 1 1      16   19   14 o    2.240000      0.4109000       1.176000 0.5356000       3.304000      0.6233000      -2.128000      0.8218000
  1 1 1      16   19   15 o    5.874000      0.2510000       6.163000 0.3029000       5.585000      0.4002000      0.5776000      0.5019000
  1 1 1      16   19   16 o    16.42000      0.3265000       16.98000 0.4862000       15.86000      0.4360000       1.126000      0.6531000
  1 1 1      16   19   17 o    5.552000      0.2542000       5.604000 0.3248000       5.500000      0.3911000      0.1037000      0.5084000
  1 1 1      16   19   18 o    4.468000      0.3006000       4.170000 0.4246000       4.767000      0.4256000     -0.5969000      0.6012000
  1 1 1      16   19   19 o    10.40000      0.2359000       10.72000 0.3266000       10.09000      0.3405000      0.6242000      0.4718000
  1 1 1      16   19   20 o    7.097000      0.2348000       7.193000 0.3273000       7.001000      0.3368000      0.1916000      0.4697000
  1 1 1      16   19   21 o    11.33000      0.2410000       11.42000 0.3328000       11.23000      0.3486000      0.1953000      0.4820000
  1 1 1      16   19   22 o    3.672000      0.4543000       3.969000 0.6132000       3.375000      0.6706000      0.5941000      0.9087000
  1 1 1      16   19   23 o    7.518000      0.2455000       7.561000 0.3425000       7.474000      0.3517000      0.8712000E-01  0.4910000
  1 1 1      16   19   24 o    6.187000      0.2855000       6.024000 0.4224000       6.350000      0.3842000     -0.3257000      0.5710000
  1 1 1      16   19   25 o    3.282000      0.5113000       3.452000 0.7237000       3.111000      0.7225000      0.3407000       1.023000
  1 1 1      16   19   26 o    5.391000      0.3692000       4.575000 0.6054000       6.207000      0.4226000      -1.633000      0.7384000
  1 1 1      16   19   27 o    2.449000      0.5748000       2.296000 0.8434000       2.602000      0.7811000     -0.3066000       1.150000
  1 1 1      16   19   28 o    7.666000      0.3134000       7.577000 0.4831000       7.755000      0.3994000     -0.1783000      0.6268000
  1 1 1      16   19   29 o    8.355000      0.6904000       8.433000 1.096000       8.277000      0.8398000      0.1560000       1.381000
  1 1 1      16   19   30 o    2.842000      0.8724000       2.315000 1.146000       3.369000       1.316000      -1.054000       1.745000
  1 1 1      16   19   31 o    4.069000       1.053000       3.845000 1.578000       4.294000       1.395000     -0.4490000       2.106000
  1 1 1      16   20    0 o    4.512000      0.3615000       4.447000 0.5857000       4.577000      0.4240000     -0.1299000      0.7230000
  1 1 1      16   20    1 o    3.870000      0.3046000       4.054000 0.4249000       3.686000      0.4367000      0.3685000      0.6093000
  1 1 1      16   20    2 o    10.80000      0.2084000       10.84000 0.2933000       10.77000      0.2962000      0.7127000E-01  0.4169000
  1 1 1      16   20    3 o    8.980000      0.2000000       9.003000 0.2859000       8.956000      0.2798000      0.4697000E-01  0.4000000
  1 1 1      16   20    4 o    4.738000      0.2473000       5.120000 0.3386000       4.356000      0.3606000      0.7643000      0.4947000
  1 1 1      16   20    5 o    6.032000      0.3302000       6.154000 0.4390000       5.911000      0.4932000      0.2429000      0.6603000
  1 1 1      16   20    6 o    1.939000      0.5465000       1.639000 0.6926000       2.238000      0.8456000     -0.5986000       1.093000
  1 1 1      16   20    7 f    2.571000      0.5738000       2.476000 0.7588000       2.666000      0.8609000     -0.1908000       1.148000
  1 1 1      16   20    8 o    3.938000      0.4505000       3.989000 0.5247000       3.887000      0.7325000      0.1020000      0.9010000
  1 1 1      16   20    9 o    4.310000      0.4154000       3.902000 0.5734000       4.719000      0.6013000     -0.8172000      0.8308000
  1 1 1      16   20   10 o    3.087000      0.4601000       3.257000 0.4124000       2.917000      0.8227000      0.3405000      0.9203000
  1 1 1      16   20   11 o    6.472000      0.2030000       6.637000 0.2630000       6.307000      0.3093000      0.3305000      0.4060000
  1 1 1      16   20   12 o    6.710000      0.2069000       6.717000 0.2734000       6.704000      0.3106000      0.1321000E-01  0.4138000
  1 1 1      16   20   13 o    5.167000      0.2608000       5.464000 0.3111000       4.870000      0.4187000      0.5937000      0.5217000
  1 1 1      16   20   14 o    5.059000      0.2872000       5.210000 0.3471000       4.908000      0.4577000      0.3027000      0.5745000
  1 1 1      16   20   15 o    6.163000      0.2494000       6.104000 0.3196000       6.222000      0.3829000     -0.1184000      0.4987000
  1 1 1      16   20   16 o    13.29000      0.2709000       13.66000 0.3508000       12.92000      0.4128000      0.7487000      0.5417000
  1 1 1      16   20   17 o    1.424000      0.4373000       1.158000 0.5442000       1.690000      0.6847000     -0.5322000      0.8746000
  1 1 1      16   20   18 o    16.36000      0.3058000       16.83000 0.3914000       15.90000      0.4698000      0.9337000      0.6115000
  1 1 1      16   20   19 f    5.121000      0.2853000       5.452000 0.3723000       4.791000      0.4324000      0.6610000      0.5706000
  1 1 1      16   20   20 o    5.336000      0.2850000       5.361000 0.3963000       5.312000      0.4096000      0.4872000E-01  0.5699000
  1 1 1      16   20   21 o    5.759000      0.3250000       6.130000 0.4277000       5.388000      0.4895000      0.7426000      0.6500000
  1 1 1      16   20   22 o    3.835000      0.5151000       4.180000 0.6271000       3.490000      0.8175000      0.6901000       1.030000
  1 1 1      16   20   23 o    4.688000      0.4999000       5.320000 0.6639000       4.057000      0.7476000       1.263000      0.9998000
  1 1 1      16   20   24 o    3.758000      0.6201000       2.969000 1.045000       4.546000      0.6679000      -1.577000       1.240000
  1 1 1      16   20   25 o    2.997000      0.7771000       2.829000 1.112000       3.164000       1.086000     -0.3352000       1.554000
  1 1 1      16   20   27 o    3.026000      0.8485000       2.924000 1.206000       3.128000       1.194000     -0.2037000       1.697000
  1 1 1      16   20   28 o    3.351000      0.5743000       3.292000 0.8443000       3.410000      0.7788000     -0.1178000       1.149000
  1 1 1      16   20   29 o    2.329000      0.6503000       2.415000 0.9606000       2.243000      0.8768000      0.1728000       1.301000
  1 1 1      16   20   30 o    4.160000      0.5932000       3.797000 0.9617000       4.522000      0.6948000     -0.7253000       1.186000
  1 1 1      16   20   31 o    2.144000      0.6367000       2.223000 0.9370000       2.065000      0.8622000      0.1584000       1.273000
  1 1 1      16   21    0 o    6.754000      0.2257000       6.828000 0.3203000       6.680000      0.3180000      0.1483000      0.4513000
  1 1 1      16   21    1 o    10.56000      0.2757000       10.74000 0.4100000       10.39000      0.3687000      0.3487000      0.5514000
  1 1 1      16   21    2 o    5.946000      0.2927000       6.002000 0.4454000       5.889000      0.3798000      0.1123000      0.5853000
  1 1 1      16   21    3 o    10.44000      0.2686000       10.52000 0.3950000       10.35000      0.3641000      0.1713000      0.5372000
  1 1 1      16   21    4 o    7.679000      0.2514000       7.753000 0.3796000       7.604000      0.3296000      0.1494000      0.5027000
  1 1 1      16   21    5 o    7.932000      0.1961000       8.205000 0.2815000       7.659000      0.2732000      0.5454000      0.3923000
  1 1 1      16   21    6 o    5.695000      0.2096000       5.629000 0.2995000       5.761000      0.2934000     -0.1317000      0.4192000
  1 1 1      16   21    7 o    1.823000      0.4171000       1.686000 0.5974000       1.961000      0.5822000     -0.2748000      0.8342000
  1 1 1      16   21    8 o    1.373000      0.3917000       1.080000 0.5060000       1.666000      0.5981000     -0.5860000      0.7834000
  1 1 1      16   21    9 o    9.480000      0.1884000       9.570000 0.2594000       9.391000      0.2732000      0.1794000      0.3767000
  1 1 1      16   21   10 o    11.32000      0.1994000       11.27000 0.2701000       11.36000      0.2934000     -0.8892000E-01  0.3988000
  1 1 1      16   21   11 o    4.860000      0.2515000       4.742000 0.3061000       4.977000      0.3991000     -0.2347000      0.5029000
  1 1 1      16   21   12 o    5.495000      0.3166000       5.572000 0.3825000       5.418000      0.5047000      0.1536000      0.6333000
  1 1 1      16   21   13 o    7.826000      0.2647000       7.970000 0.3505000       7.681000      0.3966000      0.2897000      0.5293000
  1 1 1      16   21   14 o    9.830000      0.2616000       10.23000 0.3616000       9.435000      0.3781000      0.7910000      0.5231000
  1 1 1      16   21   15 o    8.717000      0.2564000       8.626000 0.3465000       8.809000      0.3781000     -0.1834000      0.5129000
  1 1 1      16   21   16 o    13.15000      0.2932000       13.37000 0.4123000       12.94000      0.4171000      0.4297000      0.5865000
  1 1 1      16   21   17 o    8.588000      0.2560000       8.523000 0.3608000       8.653000      0.3633000     -0.1297000      0.5121000
  1 1 1      16   21   18 f    6.208000      0.2726000       6.406000 0.3718000       6.009000      0.3989000      0.3972000      0.5453000
  1 1 1      16   21   19 o    6.952000      0.2740000       6.977000 0.3787000       6.926000      0.3962000      0.5060000E-01  0.5481000
  1 1 1      16   21   20 o    4.721000      0.3288000       4.816000 0.4553000       4.626000      0.4744000      0.1903000      0.6575000
  1 1 1      16   21   21 f    2.335000      0.5530000       2.896000 0.8185000       1.775000      0.7438000       1.120000       1.106000
  1 1 1      16   21   22 o    3.491000      0.5273000       3.905000 0.6999000       3.078000      0.7888000      0.8264000       1.055000
  1 1 1      16   21   23 o    1.891000      0.5363000       1.592000 0.7166000       2.191000      0.7981000     -0.5986000       1.073000
  1 1 1      16   21   24 o    2.564000      0.6092000       2.388000 0.8747000       2.740000      0.8483000     -0.3521000       1.218000
  1 1 1      16   21   25 o    2.702000      0.5930000       2.422000 0.8648000       2.981000      0.8115000     -0.5589000       1.186000
  1 1 1      16   21   26 o    3.253000      0.5652000       4.121000 0.7481000       2.385000      0.8475000       1.736000       1.130000
  1 1 1      16   21   27 o    2.744000      0.6454000       3.416000 0.9828000       2.072000      0.8369000       1.344000       1.291000
  1 1 1      16   21   28 f    3.836000      0.5257000       3.991000 0.7341000       3.682000      0.7527000      0.3094000       1.051000
  1 1 1      16   21   29 o    2.519000      0.6992000       2.763000 1.058000       2.276000      0.9149000      0.4870000       1.398000
  1 1 1      16   21   30 o    3.298000      0.6917000       4.257000 1.029000       2.339000      0.9252000       1.918000       1.383000
  1 1 1      16   22    0 o    5.438000      0.2567000       5.610000 0.3760000       5.266000      0.3496000      0.3442000      0.5134000
  1 1 1      16   22    1 o    9.675000      0.2090000       9.786000 0.2996000       9.563000      0.2915000      0.2236000      0.4180000
  1 1 1      16   22    2 o    5.733000      0.2345000       5.755000 0.3477000       5.711000      0.3147000      0.4431000E-01  0.4690000
  1 1 1      16   22    3 o    15.63000      0.2458000       15.65000 0.3461000       15.62000      0.3491000      0.3552000E-01  0.4916000
  1 1 1      16   22    4 o    3.169000      0.3699000       3.351000 0.5102000       2.988000      0.5356000      0.3638000      0.7397000
  1 1 1      16   22    5 o    8.356000      0.2827000       8.356000 0.2827000                  ?              ?              ?              ?
  1 1 1      16   22    6 o    5.268000      0.2900000       5.046000 0.4583000       5.490000      0.3553000     -0.4445000      0.5799000
  1 1 1      16   22    7 o    3.685000      0.4774000                  ?       ?   3.685000      0.4774000                  ?              ?
  1 1 1      16   22    8 o    2.285000      0.5029000       2.539000 0.7170000       2.031000      0.7054000      0.5079000       1.006000
  1 1 1      16   22    9 o    10.76000      0.2665000       11.12000 0.3780000       10.39000      0.3758000      0.7343000      0.5330000
  1 1 1      16   22   10 o    6.000000      0.3289000       6.117000 0.4293000       5.882000      0.4985000      0.2345000      0.6579000
  1 1 1      16   22   11 o    7.312000      0.3151000       7.672000 0.3930000       6.953000      0.4926000      0.7199000      0.6302000
  1 1 1      16   22   12 o    10.51000      0.3470000       11.01000 0.4393000       10.01000      0.5372000       1.004000      0.6939000
  1 1 1      16   22   13 f    6.539000      0.2486000       6.378000 0.3375000       6.701000      0.3651000     -0.3233000      0.4972000
  1 1 1      16   22   14 o    5.127000      0.2789000       5.232000 0.3350000       5.022000      0.4460000      0.2099000      0.5578000
  1 1 1      16   22   15 o    3.816000      0.3863000       4.169000 0.4196000       3.462000      0.6487000      0.7073000      0.7726000
  1 1 1      16   22   16 o    7.179000      0.2597000       6.918000 0.3742000       7.440000      0.3602000     -0.5220000      0.5194000
  1 1 1      16   22   17 o    1.805000      0.4825000       2.054000 0.6970000       1.555000      0.6673000      0.4990000      0.9649000
  1 1 1      16   22   18 o    3.895000      0.3301000       3.624000 0.4662000       4.166000      0.4674000     -0.5429000      0.6601000
  1 1 1      16   22   19 o    6.009000      0.3656000                  ?       ?   6.009000      0.3656000                  ?              ?
  1 1 1      16   22   20 o    4.876000      0.8107000       3.138000 1.224000       6.614000       1.063000      -3.476000       1.621000
  1 1 1      16   22   21 o    2.445000      0.7622000       2.163000 0.9865000       2.726000       1.162000     -0.5637000       1.524000
  1 1 1      16   22   22 o    3.790000      0.7531000       2.826000 1.063000       4.754000       1.067000      -1.927000       1.506000
  1 1 1      16   22   23 o    2.596000      0.6579000       3.358000 0.9838000       1.834000      0.8738000       1.524000       1.316000
  1 1 1      16   22   24 o    4.796000      0.6188000       5.298000 0.7458000       4.295000      0.9877000       1.003000       1.238000
  1 1 1      16   22   25 o    2.056000      0.6297000       2.015000 0.8916000       2.097000      0.8894000     -0.8213000E-01   1.259000
  1 1 1      16   22   26 o    2.688000      0.6917000       2.848000 1.022000       2.529000      0.9318000      0.3191000       1.383000
  1 1 1      16   22   27 o    4.491000      0.5331000       4.351000 0.8209000       4.631000      0.6803000     -0.2796000       1.066000
  1 1 1      16   22   28 o    2.647000      0.6588000       3.141000 0.9847000       2.153000      0.8755000      0.9877000       1.318000
  1 1 1      16   22   29 o    1.852000      0.5805000       1.598000 0.7699000       2.106000      0.8691000     -0.5079000       1.161000
  1 1 1      16   22   30 o    2.590000      0.6574000       2.025000 0.9082000       3.155000      0.9509000      -1.131000       1.315000
  1 1 1      16   23    0 o    5.961000      0.2516000       6.336000 0.3629000       5.587000      0.3486000      0.7491000      0.5032000
  1 1 1      16   23    1 o    6.858000      0.2290000       6.839000 0.3257000       6.878000      0.3221000     -0.3875000E-01  0.4581000
  1 1 1      16   23    2 o    6.697000      0.2205000       6.581000 0.3110000       6.813000      0.3126000     -0.2321000      0.4409000
  1 1 1      16   23    3 o    10.64000      0.2080000       10.55000 0.2917000       10.72000      0.2966000     -0.1730000      0.4160000
  1 1 1      16   23    4 o    4.065000      0.2835000       3.914000 0.4228000       4.217000      0.3779000     -0.3028000      0.5671000
  1 1 1      16   23    5 o    9.164000      0.2929000       9.164000 0.2929000                  ?              ?              ?              ?
  1 1 1      16   23    6 o    7.004000      0.2073000       7.130000 0.2873000       6.877000      0.2990000      0.2539000      0.4147000
  1 1 1      16   23    7 o    8.438000      0.2976000                  ?       ?   8.438000      0.2976000                  ?              ?
  1 1 1      16   23    8 o    3.835000      0.3021000       4.382000 0.3875000       3.288000      0.4636000       1.094000      0.6042000
  1 1 1      16   23    9 o    3.025000      0.3950000       3.054000 0.5209000       2.996000      0.5939000      0.5731000E-01  0.7900000
  1 1 1      16   23   10 o    3.160000      0.3928000       2.996000 0.5278000       3.324000      0.5819000     -0.3275000      0.7856000
  1 1 1      16   23   11 o    2.284000      0.4968000       1.998000 0.6594000       2.569000      0.7433000     -0.5706000      0.9936000
  1 1 1      16   23   12 o    1.732000      0.4852000       1.967000 0.6933000       1.497000      0.6789000      0.4705000      0.9704000
  1 1 1      16   23   13 o    10.51000      0.2423000       10.73000 0.3123000       10.29000      0.3706000      0.4385000      0.4847000
  1 1 1      16   23   14 o    1.897000      0.5167000       1.931000 0.7045000       1.863000      0.7561000      0.6788000E-01   1.033000
  1 1 1      16   23   15 o    5.178000      0.3040000       5.173000 0.4039000       5.183000      0.4543000     -0.1006000E-01  0.6079000
  1 1 1      16   23   16 o    7.710000      0.2732000       8.099000 0.3458000       7.320000      0.4231000      0.7796000      0.5464000
  1 1 1      16   23   17 f    11.41000      0.2709000       11.85000 0.3605000       10.97000      0.4043000      0.8763000      0.5417000
  1 1 1      16   23   18 o    3.016000      0.5212000       2.884000 0.7371000       3.147000      0.7371000     -0.2628000       1.042000
  1 1 1      16   23   19 o    6.645000      0.2944000       6.870000 0.4061000       6.419000      0.4263000      0.4509000      0.5888000
  1 1 1      16   23   20 o    5.823000      0.3583000       6.088000 0.4891000       5.557000      0.5238000      0.5314000      0.7167000
  1 1 1      16   23   21 o    3.166000      0.6057000       3.145000 0.8841000       3.187000      0.8283000     -0.4211000E-01   1.211000
  1 1 1      16   23   22 o    6.512000      0.3334000       6.454000 0.4631000       6.570000      0.4797000     -0.1160000      0.6668000
  1 1 1      16   23   23 o    2.980000      0.6193000       2.914000 0.8701000       3.045000      0.8816000     -0.1315000       1.239000
  1 1 1      16   23   24 o    4.594000      0.4931000       4.661000 0.6827000       4.528000      0.7117000      0.1330000      0.9862000
  1 1 1      16   23   25 o    2.861000      0.6485000       2.435000 0.9438000       3.287000      0.8895000     -0.8520000       1.297000
  1 1 1      16   23   26 f    2.222000      0.6374000       2.359000 0.9320000       2.086000      0.8699000      0.2723000       1.275000
  1 1 1      16   23   27 o    4.640000      0.5201000       4.840000 0.7401000       4.441000      0.7309000      0.3991000       1.040000
  1 1 1      16   23   28 o    3.354000      0.6625000       3.208000 0.9661000       3.500000      0.9068000     -0.2920000       1.325000
  1 1 1      16   23   29 o    2.201000      0.6535000       2.560000 1.006000       1.843000      0.8338000      0.7173000       1.307000
  1 1 1      16   24    0 o    10.35000      0.2243000       10.17000 0.3145000       10.53000      0.3200000     -0.3591000      0.4487000
  1 1 1      16   24    1 o    5.691000      0.2636000       5.267000 0.4153000       6.114000      0.3248000     -0.8472000      0.5272000
  1 1 1      16   24    2 o    6.623000      0.2294000       6.881000 0.3254000       6.366000      0.3235000      0.5148000      0.4589000
  1 1 1      16   24    3 f    4.424000      0.2896000       4.589000 0.4197000       4.260000      0.3990000      0.3287000      0.5792000
  1 1 1      16   24    4 o    1.760000      0.4612000       1.601000 0.6513000       1.918000      0.6531000     -0.3166000      0.9223000
  1 1 1      16   24    5 o    7.841000      0.2112000       8.246000 0.2931000       7.436000      0.3040000      0.8100000      0.4223000
  1 1 1      16   24    6 o    13.18000      0.2236000       13.05000 0.3085000       13.32000      0.3239000     -0.2710000      0.4473000
  1 1 1      16   24    7 o    5.780000      0.2257000       5.527000 0.3170000       6.032000      0.3215000     -0.5048000      0.4515000
  1 1 1      16   24    8 o    7.485000      0.2149000       7.139000 0.2979000       7.830000      0.3100000     -0.6904000      0.4299000
  1 1 1      16   24    9 f    5.266000      0.2741000       5.570000 0.3324000       4.962000      0.4358000      0.6076000      0.5481000
  1 1 1      16   24   10 o    3.750000      0.3600000       3.620000 0.4742000       3.879000      0.5419000     -0.2598000      0.7200000
  1 1 1      16   24   11 o    4.157000      0.3415000       3.627000 0.4815000       4.687000      0.4843000      -1.060000      0.6829000
  1 1 1      16   24   12 o    4.346000      0.3743000       4.196000 0.4519000       4.496000      0.5968000     -0.3007000      0.7486000
  1 1 1      16   24   13 o    1.788000      0.4971000       2.024000 0.7013000       1.551000      0.7046000      0.4730000      0.9941000
  1 1 1      16   24   14 f    3.678000      0.4281000       3.233000 0.5891000       4.122000      0.6213000     -0.8883000      0.8562000
  1 1 1      16   24   15 o    2.464000      0.5287000       2.646000 0.6968000       2.282000      0.7954000      0.3640000       1.057000
  1 1 1      16   24   16 o    10.27000      0.2706000       10.24000 0.3580000       10.30000      0.4060000     -0.5327000E-01  0.5413000
  1 1 1      16   24   17 o    7.959000      0.2796000       8.229000 0.3697000       7.689000      0.4195000      0.5396000      0.5592000
  1 1 1      16   24   18 o    4.361000      0.4029000       4.824000 0.5054000       3.899000      0.6276000      0.9254000      0.8058000
  1 1 1      16   24   19 o    4.425000      0.4237000       4.421000 0.5829000       4.429000      0.6152000     -0.8494000E-02  0.8475000
  1 1 1      16   24   20 f    1.768000      0.5396000       1.309000 0.6376000       2.227000      0.8707000     -0.9182000       1.079000
  1 1 1      16   24   21 o    2.812000      0.6162000       3.222000 0.8437000       2.403000      0.8982000      0.8184000       1.232000
  1 1 1      16   24   22 o    2.880000      0.6560000       3.073000 0.9029000       2.688000      0.9520000      0.3854000       1.312000
  1 1 1      16   24   23 o    2.538000      0.6043000       3.091000 0.8685000       1.986000      0.8403000       1.105000       1.209000
  1 1 1      16   24   24 o    4.721000      0.5127000       4.628000 0.7507000       4.814000      0.6984000     -0.1859000       1.025000
  1 1 1      16   24   25 o    2.167000      0.6280000       2.517000 0.9492000       1.817000      0.8224000      0.6998000       1.256000
  1 1 1      16   24   26 o    3.566000      0.6537000       3.540000 0.9472000       3.593000      0.9012000     -0.5353000E-01   1.307000
  1 1 1      16   24   27 o    2.412000      0.6417000       1.782000 0.8252000       3.041000      0.9828000      -1.259000       1.283000
  1 1 1      16   24   28 o    3.351000      0.6801000       2.679000 1.018000       4.024000      0.9022000      -1.345000       1.360000
  1 1 1      16   25    0 o    10.52000      0.2229000       10.41000 0.3162000       10.63000      0.3142000     -0.2274000      0.4458000
  1 1 1      16   25    1 o    2.519000      0.4535000       3.243000 0.6090000       1.794000      0.6721000       1.449000      0.9070000
  1 1 1      16   25    2 o    3.004000      0.4216000       2.471000 0.6906000       3.537000      0.4836000      -1.066000      0.8431000
  1 1 1      16   25    3 o    5.118000      0.2585000       5.110000 0.3632000       5.126000      0.3679000     -0.1647000E-01  0.5170000
  1 1 1      16   25    4 o    1.763000      0.4635000       1.916000 0.6644000       1.610000      0.6464000      0.3060000      0.9270000
  1 1 1      16   25    5 o    4.620000      0.2828000       4.370000 0.3877000       4.869000      0.4119000     -0.4991000      0.5656000
  1 1 1      16   25    6 o    5.769000      0.2725000       5.989000 0.3105000       5.550000      0.4478000      0.4395000      0.5449000
  1 1 1      16   25    7 o    4.391000      0.3045000       4.508000 0.3899000       4.273000      0.4679000      0.2347000      0.6091000
  1 1 1      16   25    8 o    3.722000      0.3786000       3.557000 0.5158000       3.887000      0.5544000     -0.3301000      0.7573000
  1 1 1      16   25    9 o    3.564000      0.4073000       3.625000 0.4856000       3.503000      0.6539000      0.1225000      0.8145000
  1 1 1      16   25   10 o    5.204000      0.2950000       5.374000 0.3650000       5.034000      0.4634000      0.3392000      0.5899000
  1 1 1      16   25   11 o    3.359000      0.4857000       3.101000 0.6225000       3.617000      0.7457000     -0.5167000      0.9713000
  1 1 1      16   25   12 o    2.522000      0.4867000       1.555000 0.6577000       3.490000      0.7177000      -1.935000      0.9735000
  1 1 1      16   25   13 o    2.046000      0.5419000       2.109000 0.7362000       1.982000      0.7954000      0.1270000       1.084000
  1 1 1      16   25   14 o    5.921000      0.3221000       6.003000 0.3897000       5.838000      0.5130000      0.1645000      0.6442000
  1 1 1      16   25   15 o    3.939000      0.7286000       3.635000 1.320000       4.242000      0.6174000     -0.6065000       1.457000
  1 1 1      16   25   16 o    5.730000      0.3375000       6.210000 0.4186000       5.251000      0.5295000      0.9592000      0.6750000
  1 1 1      16   25   17 o    6.460000      0.3085000       6.400000 0.4234000       6.519000      0.4487000     -0.1186000      0.6170000
  1 1 1      16   25   18 o    2.484000      0.5840000       2.698000 0.8131000       2.270000      0.8385000      0.4283000       1.168000
  1 1 1      16   25   19 o    5.781000      0.6324000       5.010000 1.167000       6.553000      0.4886000      -1.543000       1.265000
  1 1 1      16   25   20 o    7.026000      0.3539000       6.372000 0.5058000       7.679000      0.4951000      -1.307000      0.7078000
  1 1 1      16   25   21 o    7.850000      0.3291000       7.768000 0.4588000       7.933000      0.4719000     -0.1653000      0.6582000
  1 1 1      16   25   22 o    2.673000      0.6691000       2.547000 0.9291000       2.799000      0.9632000     -0.2519000       1.338000
  1 1 1      16   25   23 o    2.774000      0.6632000       2.661000 0.9217000       2.886000      0.9539000     -0.2247000       1.326000
  1 1 1      16   25   24 o    2.608000      0.6761000       2.861000 0.9614000       2.355000      0.9509000      0.5061000       1.352000
  1 1 1      16   25   25 o    2.052000      0.6253000       1.816000 0.8358000       2.289000      0.9303000     -0.4733000       1.251000
  1 1 1      16   25   26 o    4.409000      0.6138000       4.484000 0.8604000       4.334000      0.8756000      0.1510000       1.228000
  1 1 1      16   25   27 o    2.676000      0.6966000       2.981000 1.017000       2.371000      0.9525000      0.6100000       1.393000
  1 1 1      16   25   28 o    3.161000       1.314000                  ?       ?   3.161000       1.314000                  ?              ?
  1 1 1      16   26    0 o    6.122000      0.2574000       6.009000 0.3935000       6.235000      0.3320000     -0.2251000      0.5149000
  1 1 1      16   26    1 o    4.535000      0.3118000       4.755000 0.4431000       4.316000      0.4388000      0.4396000      0.6236000
  1 1 1      16   26    2 o    3.429000      0.3823000       3.285000 0.5791000       3.573000      0.4992000     -0.2887000      0.7646000
  1 1 1      16   26    3 o    2.436000      0.4556000       2.878000 0.6429000       1.993000      0.6457000      0.8852000      0.9112000
  1 1 1      16   26    4 o    2.892000      0.4349000       3.374000 0.5517000       2.410000      0.6725000      0.9634000      0.8698000
  1 1 1      16   26    5 o    1.936000      0.4947000       1.959000 0.7050000       1.914000      0.6941000      0.4579000E-01  0.9894000
  1 1 1      16   26    6 o    5.183000      0.2976000       4.888000 0.3779000       5.477000      0.4600000     -0.5888000      0.5953000
  1 1 1      16   26    7 o    14.95000      0.2443000       15.36000 0.3418000       14.54000      0.3492000      0.8254000      0.4887000
  1 1 1      16   26    8 o    9.186000      0.2289000       8.576000 0.2982000       9.797000      0.3475000      -1.220000      0.4579000
  1 1 1      16   26    9 o    5.336000      0.2980000       5.495000 0.3539000       5.177000      0.4796000      0.3184000      0.5960000
  1 1 1      16   26   10 o    4.713000      0.3907000       5.384000 0.3942000       4.041000      0.6747000       1.344000      0.7814000
  1 1 1      16   26   11 o    2.217000      0.5197000       2.673000 0.6894000       1.760000      0.7779000      0.9121000       1.039000
  1 1 1      16   26   12 o    3.524000      0.4830000       4.221000 0.4863000       2.826000      0.8346000       1.396000      0.9659000
  1 1 1      16   26   13 o    3.479000      0.4908000       3.522000 0.6175000       3.436000      0.7630000      0.8512000E-01  0.9816000
  1 1 1      16   26   14 o    6.300000      0.3125000       6.671000 0.3828000       5.930000      0.4941000      0.7407000      0.6251000
  1 1 1      16   26   15 f    2.288000      0.5334000       2.867000 0.7612000       1.709000      0.7474000       1.158000       1.067000
  1 1 1      16   26   16 o    1.779000      0.5415000       1.729000 0.7411000       1.829000      0.7898000     -0.9921000E-01   1.083000
  1 1 1      16   26   17 o    5.112000      0.3800000       4.901000 0.5548000       5.323000      0.5195000     -0.4221000      0.7600000
  1 1 1      16   26   18 o    4.553000      0.4312000       4.668000 0.5659000       4.438000      0.6507000      0.2295000      0.8623000
  1 1 1      16   26   19 o    5.532000      0.4033000       5.401000 0.5680000       5.662000      0.5727000     -0.2608000      0.8066000
  1 1 1      16   26   20 o    7.809000      0.3701000       8.025000 0.5494000       7.593000      0.4961000      0.4321000      0.7402000
  1 1 1      16   26   21 o    5.702000      0.4330000       5.544000 0.6201000       5.861000      0.6044000     -0.3171000      0.8659000
  1 1 1      16   26   22 o    3.058000      0.6840000       2.513000 0.9636000       3.604000      0.9709000      -1.091000       1.368000
  1 1 1      16   26   23 f    3.055000      0.6884000       2.912000 0.9619000       3.198000      0.9852000     -0.2853000       1.377000
  1 1 1      16   26   24 o    3.095000      0.7103000       3.242000 0.9921000       2.948000       1.017000      0.2946000       1.421000
  1 1 1      16   26   25 o    3.705000      0.6285000       2.448000 1.002000       4.962000      0.7593000      -2.515000       1.257000
  1 1 1      16   26   26 o    2.418000      0.6898000       2.660000 1.022000       2.177000      0.9263000      0.4826000       1.380000
  1 1 1      16   26   27 o    2.483000      0.7683000       2.331000 0.9966000       2.634000       1.170000     -0.3030000       1.537000
  1 1 1      16   27    0 o    1.586000      0.4754000       1.764000 0.7266000       1.408000      0.6131000      0.3564000      0.9507000
  1 1 1      16   27    1 o    6.579000      0.2373000       6.664000 0.3362000       6.494000      0.3350000      0.1704000      0.4746000
  1 1 1      16   27    2 o    4.113000      0.3493000       3.740000 0.5443000       4.487000      0.4378000     -0.7479000      0.6986000
  1 1 1      16   27    3 o    2.105000      0.5116000       1.864000 0.7143000       2.345000      0.7325000     -0.4804000       1.023000
  1 1 1      16   27    4 o    5.038000      0.2831000       4.776000 0.3920000       5.300000      0.4085000     -0.5237000      0.5661000
  1 1 1      16   27    5 o    7.384000      0.2238000       7.541000 0.3052000       7.226000      0.3275000      0.3146000      0.4477000
  1 1 1      16   27    6 o    3.696000      0.5507000       3.696000 0.5507000                  ?              ?              ?              ?
  1 1 1      16   27    7 o    4.523000      0.3585000       3.921000 0.4969000       5.124000      0.5168000      -1.203000      0.7169000
  1 1 1      16   27    8 o    2.675000      0.8372000                  ?       ?   2.675000      0.8372000                  ?              ?
  1 1 1      16   27    9 o    4.648000      0.3553000       4.782000 0.4392000       4.513000      0.5587000      0.2689000      0.7107000
  1 1 1      16   27   10 o    6.563000      0.3006000       6.387000 0.3592000       6.739000      0.4821000     -0.3521000      0.6012000
  1 1 1      16   27   11 o    1.985000      0.5264000       2.182000 0.7128000       1.787000      0.7749000      0.3948000       1.053000
  1 1 1      16   27   12 o    3.980000      0.4387000       3.907000 0.5264000       4.052000      0.7020000     -0.1451000      0.8775000
  1 1 1      16   27   13 o    2.200000      0.5757000       2.221000 0.7704000       2.180000      0.8556000      0.4168000E-01   1.151000
  1 1 1      16   27   14 o    1.725000      0.5353000       1.651000 0.7263000       1.800000      0.7867000     -0.1489000       1.071000
  1 1 1      16   27   15 o    4.107000      0.4814000       4.023000 0.6471000       4.192000      0.7129000     -0.1691000      0.9628000
  1 1 1      16   27   16 o    5.532000      0.3907000       6.068000 0.4688000       4.996000      0.6253000       1.072000      0.7815000
  1 1 1      16   27   17 o    2.321000      0.5969000       2.631000 0.8486000       2.011000      0.8397000      0.6202000       1.194000
  1 1 1      16   27   18 o    3.294000      0.6030000       3.074000 0.8452000       3.513000      0.8603000     -0.4396000       1.206000
  1 1 1      16   27   19 o    3.812000      0.6154000       3.779000 0.8167000       3.844000      0.9207000     -0.6504000E-01   1.231000
  1 1 1      16   27   20 o    4.986000      0.5069000       5.314000 0.6527000       4.658000      0.7756000      0.6568000       1.014000
  1 1 1      16   27   21 o    4.454000      0.5758000       4.161000 0.8327000       4.747000      0.7956000     -0.5858000       1.152000
  1 1 1      16   27   22 o    2.448000      0.6499000       3.098000 0.9901000       1.799000      0.8422000       1.299000       1.300000
  1 1 1      16   27   23 o    2.670000      0.6856000       2.246000 0.9153000       3.095000       1.021000     -0.8485000       1.371000
  1 1 1      16   27   24 o    2.663000      0.7074000       3.094000 1.046000       2.233000      0.9527000      0.8612000       1.415000
  1 1 1      16   27   25 o    2.260000      0.6754000       1.915000 0.8804000       2.606000       1.025000     -0.6904000       1.351000
  1 1 1      16   27   26 o    2.676000      0.7321000       2.794000 1.054000       2.558000       1.016000      0.2355000       1.464000
  1 1 1      16   28    0 o    2.244000      0.5189000       2.544000 0.7441000       1.944000      0.7234000      0.6000000       1.038000
  1 1 1      16   28    1 o    6.103000      0.2777000       5.552000 0.4316000       6.653000      0.3496000      -1.101000      0.5554000
  1 1 1      16   28    2 o    2.249000      0.5173000       2.373000 0.7184000       2.126000      0.7445000      0.2474000       1.035000
  1 1 1      16   28    3 o    7.997000      0.2280000       7.745000 0.3194000       8.249000      0.3255000     -0.5049000      0.4561000
  1 1 1      16   28    4 o    7.849000      0.2319000       7.702000 0.3213000       7.997000      0.3344000     -0.2956000      0.4638000
  1 1 1      16   28    5 o    1.909000      0.5169000       1.837000 0.7246000       1.980000      0.7374000     -0.1434000       1.034000
  1 1 1      16   28    6 o    3.697000      0.5716000       3.697000 0.5716000                  ?              ?              ?              ?
  1 1 1      16   28    7 o    2.048000      0.5513000       1.734000 0.6951000       2.362000      0.8558000     -0.6277000       1.103000
  1 1 1      16   28    8 o    5.167000      0.5284000                  ?       ?   5.167000      0.5284000                  ?              ?
  1 1 1      16   28    9 o    5.091000      0.3711000       4.778000 0.4951000       5.404000      0.5530000     -0.6253000      0.7423000
  1 1 1      16   28   10 o    4.038000      0.4819000       3.997000 0.5776000       4.079000      0.7716000     -0.8201000E-01  0.9638000
  1 1 1      16   28   11 o    2.282000      0.5507000       2.711000 0.7473000       1.852000      0.8091000      0.8594000       1.101000
  1 1 1      16   28   12 o    4.070000      0.4575000       3.393000 0.6390000       4.747000      0.6549000      -1.354000      0.9150000
  1 1 1      16   28   13 o    1.808000      0.5495000       1.722000 0.7334000       1.894000      0.8185000     -0.1725000       1.099000
  1 1 1      16   28   14 o    3.559000      0.5481000       3.151000 0.8114000       3.967000      0.7372000     -0.8167000       1.096000
  1 1 1      16   28   15 o    7.154000      0.3373000       6.539000 0.4723000       7.770000      0.4818000      -1.231000      0.6747000
  1 1 1      16   28   16 o    3.676000      0.5681000       4.379000 0.7017000       2.973000      0.8937000       1.406000       1.136000
  1 1 1      16   28   17 o    2.278000      0.6229000       1.995000 0.8393000       2.560000      0.9207000     -0.5657000       1.246000
  1 1 1      16   28   18 o    2.190000      0.6191000       2.588000 0.9393000       1.792000      0.8067000      0.7968000       1.238000
  1 1 1      16   28   19 o    4.922000      0.5893000       3.554000 0.9657000       6.289000      0.6758000      -2.735000       1.179000
  1 1 1      16   28   20 o    3.389000      0.7142000       3.208000 0.9954000       3.569000       1.024000     -0.3604000       1.428000
  1 1 1      16   28   21 o    2.879000      0.7135000       3.189000 0.9832000       2.570000       1.034000      0.6188000       1.427000
  1 1 1      16   28   22 o    2.441000      0.6939000       2.040000 0.8956000       2.841000       1.060000     -0.8007000       1.388000
  1 1 1      16   28   23 o    2.769000      0.6993000       2.942000 0.9728000       2.597000       1.005000      0.3445000       1.399000
  1 1 1      16   28   24 o    2.274000      0.6821000       2.313000 0.9722000       2.236000      0.9570000      0.7751000E-01   1.364000
  1 1 1      16   28   25 o    2.924000      0.8620000       3.031000 1.231000       2.816000       1.207000      0.2154000       1.724000
  1 1 1      16   29    0 o    2.263000      0.6817000       1.701000 0.7745000       2.826000       1.122000      -1.125000       1.363000
  1 1 1      16   29    1 o    6.468000      0.4714000       6.476000 0.5401000       6.461000      0.7728000      0.1509000E-01  0.9428000
  1 1 1      16   29    2 f    2.206000      0.6521000       2.069000 0.8571000       2.344000      0.9830000     -0.2745000       1.304000
  1 1 1      16   29    3 o    5.708000      0.5170000       5.617000 0.6307000       5.798000      0.8193000     -0.1813000       1.034000
  1 1 1      16   29    4 o    4.676000      0.6210000       5.420000 0.6159000       3.932000       1.079000       1.489000       1.242000
  1 1 1      16   29    5 f    3.696000      0.6525000       3.176000 0.8392000       4.216000      0.9995000      -1.039000       1.305000
  1 1 1      16   29    6 o    2.461000      0.5377000       2.255000 0.7410000       2.667000      0.7794000     -0.4114000       1.075000
  1 1 1      16   29    7 o    2.201000      0.5644000       1.950000 0.7354000       2.451000      0.8564000     -0.5007000       1.129000
  1 1 1      16   29    8 o    1.643000      0.5088000       1.486000 0.6533000       1.800000      0.7802000     -0.3135000       1.018000
  1 1 1      16   29    9 o    4.207000      0.5214000       4.416000 0.6163000       3.998000      0.8412000      0.4180000       1.043000
  1 1 1      16   29   10 o    1.935000      0.5765000       1.617000 0.7151000       2.253000      0.9045000     -0.6361000       1.153000
  1 1 1      16   29   11 o    4.590000      0.4645000       4.745000 0.5461000       4.435000      0.7515000      0.3098000      0.9290000
  1 1 1      16   29   12 o    2.351000      0.6082000       2.607000 0.8286000       2.094000      0.8906000      0.5133000       1.216000
  1 1 1      16   29   13 o    2.159000      0.6077000       1.931000 0.7933000       2.388000      0.9208000     -0.4565000       1.215000
  1 1 1      16   29   14 o    3.506000      0.5964000       3.997000 0.7312000       3.014000      0.9424000      0.9830000       1.193000
  1 1 1      16   29   15 o    3.376000      0.6334000       3.524000 0.8282000       3.228000      0.9587000      0.2963000       1.267000
  1 1 1      16   29   16 o    1.851000      0.5811000       1.930000 0.8252000       1.771000      0.8184000      0.1598000       1.162000
  1 1 1      16   29   17 o    2.635000      0.6830000       2.793000 0.9380000       2.477000      0.9932000      0.3167000       1.366000
  1 1 1      16   29   18 o    3.357000      0.6844000       4.077000 0.9014000       2.636000       1.030000       1.441000       1.369000
  1 1 1      16   29   19 f    5.547000      0.6209000       5.431000 0.7236000       5.662000       1.009000     -0.2312000       1.242000
  1 1 1      16   29   20 o    3.553000      0.7639000       2.526000 1.063000       4.580000       1.097000      -2.054000       1.528000
  1 1 1      16   29   21 o    3.262000      0.8156000       3.686000 1.123000       2.839000       1.183000      0.8467000       1.631000
  1 1 1      16   29   22 o    2.274000      0.7176000       1.915000 0.8866000       2.632000       1.129000     -0.7165000       1.435000
  1 1 1      16   29   23 o    3.082000      0.8324000       2.637000 1.077000       3.528000       1.269000     -0.8914000       1.665000
  1 1 1      16   29   24 o    2.793000       1.247000                  ?       ?   2.793000       1.247000                  ?              ?
  1 1 1      16   30    0 o    2.354000      0.5029000       1.736000 0.7005000       2.973000      0.7218000      -1.238000       1.006000
  1 1 1      16   30    1 o    1.958000      0.5519000       1.894000 0.7650000       2.023000      0.7957000     -0.1286000       1.104000
  1 1 1      16   30    2 o    2.366000      0.5317000       1.804000 0.7526000       2.928000      0.7512000      -1.123000       1.063000
  1 1 1      16   30    3 o    2.278000      0.5380000       1.732000 0.7387000       2.825000      0.7823000      -1.093000       1.076000
  1 1 1      16   30    4 o    2.919000      0.5651000       2.720000 0.7626000       3.118000      0.8341000     -0.3982000       1.130000
  1 1 1      16   30    5 o    2.844000      0.5571000       3.156000 0.6800000       2.531000      0.8825000      0.6245000       1.114000
  1 1 1      16   30    6 f    2.244000      0.5721000       2.373000 0.7630000       2.115000      0.8526000      0.2578000       1.144000
  1 1 1      16   30    7 o    2.018000      0.5586000       2.312000 0.8109000       1.723000      0.7685000      0.5897000       1.117000
  1 1 1      16   30    8 o    2.639000      0.6226000       2.238000 0.8342000       3.040000      0.9244000     -0.8018000       1.245000
  1 1 1      16   30    9 o    4.583000      0.5376000       5.814000 0.4901000       3.352000      0.9570000       2.462000       1.075000
  1 1 1      16   30   10 o    1.805000      0.5695000       1.574000 0.7343000       2.036000      0.8707000     -0.4614000       1.139000
  1 1 1      16   30   11 o    2.125000      0.6113000       1.990000 0.8320000       2.260000      0.8959000     -0.2695000       1.223000
  1 1 1      16   30   12 o    2.826000      0.6988000       2.794000 0.9217000       2.859000       1.051000     -0.6561000E-01   1.398000
  1 1 1      16   30   13 o    4.462000      0.5883000       3.455000 0.9212000       5.470000      0.7319000      -2.015000       1.177000
  1 1 1      16   30   14 o    4.155000      0.6321000       4.543000 0.7822000       3.767000      0.9932000      0.7763000       1.264000
  1 1 1      16   30   15 o    2.582000      0.6513000       3.246000 0.9648000       1.918000      0.8753000       1.328000       1.303000
  1 1 1      16   30   16 o    4.238000      0.6417000       3.996000 0.8448000       4.479000      0.9661000     -0.4837000       1.283000
  1 1 1      16   30   17 o    4.285000      0.6556000       4.474000 0.8181000       4.096000       1.025000      0.3783000       1.311000
  1 1 1      16   30   18 o    3.337000      0.7472000       3.191000 1.029000       3.484000       1.083000     -0.2934000       1.494000
  1 1 1      16   30   19 o    3.956000      0.7540000       3.976000 1.003000       3.936000       1.126000      0.4017000E-01   1.508000
  1 1 1      16   30   20 o    4.079000      0.7063000       4.372000 0.9536000       3.787000       1.042000      0.5847000       1.413000
  1 1 1      16   30   21 o    1.975000      0.6392000       1.810000 0.8425000       2.139000      0.9616000     -0.3299000       1.278000
  1 1 1      16   30   22 o    3.864000      0.7267000       4.229000 0.9288000       3.499000       1.118000      0.7301000       1.453000
  1 1 1      16   31    0 o    7.495000      0.2819000       7.849000 0.3626000       7.140000      0.4317000      0.7089000      0.5638000
  1 1 1      16   31    1 o    3.382000      0.5150000       3.174000 0.7611000       3.591000      0.6941000     -0.4175000       1.030000
  1 1 1      16   31    2 o    3.825000      0.5879000       4.000000 0.8827000       3.650000      0.7767000      0.3502000       1.176000
  1 1 1      16   31    3 o    4.604000      0.5554000       5.019000 0.7751000       4.189000      0.7957000      0.8301000       1.111000
  1 1 1      16   31    4 o    2.697000      0.6798000       1.956000 0.8822000       3.438000       1.035000      -1.481000       1.360000
  1 1 1      16   31    5 o    3.606000      0.7096000       3.607000 1.025000       3.606000      0.9820000      0.1225000E-02   1.419000
  1 1 1      16   31    6 o    2.204000      0.6648000       1.924000 0.8600000       2.485000       1.014000     -0.5607000       1.330000
  1 1 1      16   31    7 o    4.931000      0.6795000       6.520000 0.7488000       3.342000       1.134000       3.178000       1.359000
  1 1 1      16   31    8 o    3.646000      0.8659000       3.727000 1.245000       3.565000       1.204000      0.1622000       1.732000
  1 1 1      16   31    9 o    3.533000      0.9224000       3.478000 1.309000       3.587000       1.300000     -0.1096000       1.845000
  1 1 1      16   31   10 o    3.262000      0.8757000       4.155000 1.389000       2.369000       1.066000       1.787000       1.751000
  1 1 1      16   31   11 o    2.811000      0.8781000       2.536000 1.164000       3.085000       1.315000     -0.5495000       1.756000
  1 1 1      16   31   12 o    3.834000       1.022000       4.240000 1.460000       3.428000       1.432000      0.8124000       2.045000
  1 1 1      16   31   13 o    4.486000       1.050000       4.228000 1.467000       4.744000       1.501000     -0.5161000       2.099000
  1 1 1      16   31   14 o    2.921000      0.9157000       2.726000 1.246000       3.116000       1.342000     -0.3899000       1.831000
  1 1 1      16   31   15 o    3.803000       1.123000       4.236000 1.660000       3.370000       1.514000      0.8667000       2.247000
  1 1 1      16   31   16 o    3.786000       1.009000       3.119000 1.363000       4.452000       1.488000      -1.333000       2.018000
  1 1 1      16   31   17 o    2.845000      0.9063000       3.153000 1.362000       2.536000       1.196000      0.6176000       1.813000
  1 1 1      16   31   18 o    5.068000       1.080000       5.373000 1.453000       4.762000       1.599000      0.6117000       2.161000
  1 1 1      16   31   19 o    4.323000      0.9600000       5.420000 1.357000       3.226000       1.358000       2.194000       1.920000
  1 1 1      16   31   20 o    3.919000      0.8462000       5.222000 1.225000       2.617000       1.168000       2.605000       1.692000
  1 1 1      16   31   21 o    2.681000      0.8399000       2.188000 1.054000       3.173000       1.308000     -0.9848000       1.680000
  1 1 1      16   32    0 o    5.456000      0.3769000       5.563000 0.4964000       5.349000      0.5672000      0.2145000      0.7537000
  1 1 1      16   32    1 o    6.936000      0.3161000       6.805000 0.4326000       7.067000      0.4610000     -0.2617000      0.6322000
  1 1 1      16   32    2 o    5.096000      0.4065000       4.926000 0.5583000       5.266000      0.5909000     -0.3396000      0.8129000
  1 1 1      16   32    3 o    2.378000      0.6089000       2.063000 0.8075000       2.693000      0.9117000     -0.6308000       1.218000
  1 1 1      16   32    4 o    2.259000      0.5626000       2.658000 0.7795000       1.860000      0.8116000      0.7983000       1.125000
  1 1 1      16   32    5 f    2.187000      0.5994000       1.859000 0.7746000       2.515000      0.9148000     -0.6559000       1.199000
  1 1 1      16   32    6 o    3.429000      0.5945000       3.710000 0.7321000       3.147000      0.9368000      0.5625000       1.189000
  1 1 1      16   32    7 o    3.799000      0.7592000       3.799000 0.7592000                  ?              ?              ?              ?
  1 1 1      16   32    8 o    1.911000      0.5998000       1.661000 0.7548000       2.161000      0.9323000     -0.5003000       1.200000
  1 1 1      16   32    9 o    2.898000       1.010000                  ?       ?   2.898000       1.010000                  ?              ?
  1 1 1      16   32   10 f    2.501000      0.6619000       2.828000 0.9299000       2.173000      0.9421000      0.6550000       1.324000
  1 1 1      16   32   11 o    2.630000      0.7104000       2.313000 0.9100000       2.947000       1.091000     -0.6337000       1.421000
  1 1 1      16   32   12 o    3.871000      0.7145000       3.691000 0.9330000       4.051000       1.082000     -0.3597000       1.429000
  1 1 1      16   32   13 o    3.049000      0.7432000       3.314000 1.024000       2.784000       1.077000      0.5298000       1.486000
  1 1 1      16   32   14 o    2.407000      0.6959000       2.695000 1.029000       2.119000      0.9375000      0.5767000       1.392000
  1 1 1      16   32   15 o    2.898000      0.7290000       3.327000 1.014000       2.470000       1.048000      0.8575000       1.458000
  1 1 1      16   32   16 o    2.925000      0.7600000       3.183000 1.054000       2.668000       1.095000      0.5146000       1.520000
  1 1 1      16   32   17 o    3.126000      0.7795000       3.200000 1.060000       3.052000       1.143000      0.1483000       1.559000
  1 1 1      16   32   18 o    3.266000      0.7698000       2.770000 1.041000       3.763000       1.134000     -0.9938000       1.540000
  1 1 1      16   32   19 f    4.562000      0.6876000       4.641000 0.8849000       4.483000       1.053000      0.1575000       1.375000
  1 1 1      16   33    0 o    6.125000      0.3669000       5.957000 0.5029000       6.294000      0.5344000     -0.3371000      0.7338000
  1 1 1      16   33    1 o    7.185000      0.3988000       6.703000 0.6363000       7.668000      0.4810000     -0.9657000      0.7977000
  1 1 1      16   33    2 o    4.871000      0.4710000       4.720000 0.6212000       5.022000      0.7081000     -0.3020000      0.9419000
  1 1 1      16   33    3 o    2.250000      0.6182000       2.514000 0.8708000       1.986000      0.8778000      0.5279000       1.236000
  1 1 1      16   33    4 o    3.191000      0.5949000       3.939000 0.7221000       2.443000      0.9457000       1.496000       1.190000
  1 1 1      16   33    5 o    2.195000      0.6112000       1.630000 0.7347000       2.760000      0.9770000      -1.129000       1.222000
  1 1 1      16   33    6 o    1.814000      0.5912000       1.772000 0.8012000       1.856000      0.8697000     -0.8437000E-01   1.182000
  1 1 1      16   33    7 o    1.935000      0.8502000       1.935000 0.8502000                  ?              ?              ?              ?
  1 1 1      16   33    8 o    2.622000      0.7015000       2.118000 0.8888000       3.127000       1.086000      -1.009000       1.403000
  1 1 1      16   33    9 o    3.250000       1.079000                  ?       ?   3.250000       1.079000                  ?              ?
  1 1 1      16   33   10 o    2.930000      0.7222000       3.089000 0.9768000       2.771000       1.064000      0.3173000       1.444000
  1 1 1      16   33   11 o    2.608000      0.7190000       2.399000 0.9469000       2.818000       1.082000     -0.4187000       1.438000
  1 1 1      16   33   12 o    4.289000      0.6605000       5.397000 0.6775000       3.181000       1.134000       2.215000       1.321000
  1 1 1      16   33   13 o    3.026000      0.7738000       2.819000 1.064000       3.233000       1.124000     -0.4131000       1.548000
  1 1 1      16   33   14 o    2.860000      0.8760000       3.274000 1.416000       2.446000       1.031000      0.8272000       1.752000
  1 1 1      16   33   15 o    2.661000      0.7330000       2.995000 1.058000       2.328000       1.015000      0.6673000       1.466000
  1 1 1      16   33   16 o    2.916000      0.7566000       2.207000 0.9362000       3.625000       1.189000      -1.418000       1.513000
  1 1 1      16   33   17 o    1.944000      0.6363000       2.180000 0.9588000       1.708000      0.8368000      0.4722000       1.273000
  1 1 1      16   33   18 o    2.414000       1.107000                  ?       ?   2.414000       1.107000                  ?              ?
  1 1 1      16   34    0 o    2.962000      0.6790000       2.600000 0.9478000       3.323000      0.9727000     -0.7234000       1.358000
  1 1 1      16   34    1 o    2.613000      0.6672000       1.926000 0.8523000       3.301000       1.027000      -1.376000       1.334000
  1 1 1      16   34    2 o    2.977000      0.7089000       3.135000 0.9575000       2.818000       1.046000      0.3172000       1.418000
  1 1 1      16   34    3 o    2.824000      0.7025000       2.610000 0.9457000       3.037000       1.039000     -0.4276000       1.405000
  1 1 1      16   34    4 o    2.966000      0.6952000       2.409000 0.9492000       3.522000       1.016000      -1.113000       1.390000
  1 1 1      16   34    5 o    1.865000      0.6040000       1.772000 0.8151000       1.959000      0.8916000     -0.1865000       1.208000
  1 1 1      16   34    6 o    2.256000      0.6796000       2.462000 0.9801000       2.051000      0.9417000      0.4110000       1.359000
  1 1 1      16   34    7 o    2.862000      0.7251000       2.992000 1.028000       2.731000       1.022000      0.2604000       1.450000
  1 1 1      16   34    8 o    3.302000      0.7290000       3.246000 0.9804000       3.358000       1.079000     -0.1122000       1.458000
  1 1 1      16   34    9 o    2.716000       1.093000                  ?       ?   2.716000       1.093000                  ?              ?
  1 1 1      16   34   10 o    2.494000      0.7307000       2.257000 0.9636000       2.731000       1.099000     -0.4745000       1.461000
  1 1 1      16   34   11 o    3.419000      0.7900000       3.479000 1.045000       3.360000       1.185000      0.1196000       1.580000
  1 1 1      16   34   12 o    2.248000      0.6802000       2.669000 1.038000       1.826000      0.8790000      0.8427000       1.360000
  1 1 1      16   34   13 o    3.520000      0.7830000       3.074000 1.062000       3.965000       1.151000     -0.8909000       1.566000
  1 1 1      16   34   14 o    2.857000      0.8232000       3.118000 1.180000       2.596000       1.149000      0.5219000       1.646000
  1 1 1      16   34   15 o    2.392000      0.7285000       2.244000 0.9759000       2.540000       1.082000     -0.2960000       1.457000
  1 1 1      16   35    0 o    3.977000      0.6523000       3.537000 0.9889000       4.417000      0.8509000     -0.8802000       1.305000
  1 1 1      16   35    1 o    4.211000      0.6429000       3.842000 0.9552000       4.580000      0.8606000     -0.7377000       1.286000
  1 1 1      16   35    2 o    3.631000      0.6856000       2.809000 1.025000       4.453000      0.9107000      -1.645000       1.371000
  1 1 1      16   35    3 o    2.158000      0.6572000       1.856000 0.8532000       2.459000      0.9999000     -0.6036000       1.314000
  1 1 1      16   35    4 o    2.411000      0.6963000       2.706000 1.022000       2.115000      0.9461000      0.5916000       1.393000
  1 1 1      16   35    5 o    3.328000      0.7351000       4.000000 1.006000       2.655000       1.072000       1.345000       1.470000
  1 1 1      16   35    6 o    2.929000      0.7284000       3.345000 1.008000       2.513000       1.052000      0.8321000       1.457000
  1 1 1      16   35    7 o    2.815000      0.7125000       3.424000 1.012000       2.205000       1.003000       1.219000       1.425000
  1 1 1      16   35    8 o    3.775000      0.7253000       4.639000 0.9055000       2.910000       1.133000       1.729000       1.451000
  1 1 1      16   35    9 o    2.705000      0.7489000       3.156000 1.094000       2.255000       1.023000      0.9015000       1.498000
  1 1 1      16   35   10 f    3.328000      0.7726000       3.821000 1.059000       2.834000       1.125000      0.9875000       1.545000
  1 1 1      16   35   11 o    3.073000      0.7752000       3.303000 1.041000       2.842000       1.149000      0.4610000       1.550000
  1 1 1      16   35   12 o    2.196000      0.6932000       2.299000 0.9829000       2.093000      0.9778000      0.2056000       1.386000
  1 1 1      16   35   13 o    2.887000      0.7869000       2.786000 1.068000       2.988000       1.156000     -0.2026000       1.574000
  1 1 1      16   36    0 o    4.070000      0.6741000       4.799000 0.8573000       3.342000       1.041000       1.457000       1.348000
  1 1 1      16   36    1 o    2.747000      0.7347000       2.609000 1.035000       2.885000       1.043000     -0.2752000       1.469000
  1 1 1      16   36    2 f    2.513000      0.7177000       2.740000 1.048000       2.286000      0.9811000      0.4535000       1.435000
  1 1 1      16   36    3 o    2.238000      0.6826000       2.178000 0.9584000       2.297000      0.9722000     -0.1190000       1.365000
  1 1 1      16   36    4 o    3.375000      0.7546000       3.631000 1.030000       3.119000       1.104000      0.5123000       1.509000
  1 1 1      16   36    5 f    2.767000      0.7400000       2.089000 0.9209000       3.446000       1.159000      -1.357000       1.480000
  1 1 1      16   36    6 o    2.811000      0.7118000       3.564000 1.052000       2.058000      0.9590000       1.506000       1.424000
  1 1 1      16   36    7 o    3.367000      0.7929000       2.911000 1.070000       3.823000       1.171000     -0.9125000       1.586000
  1 1 1      16   36    8 o    2.621000      0.6831000       3.443000 1.057000       1.798000      0.8660000       1.645000       1.366000
  1 1 1      16   36    9 o    2.893000      0.7264000       1.700000 0.8161000       4.087000       1.202000      -2.388000       1.453000
  1 1 1      16   36   10 o    1.983000      0.6653000       1.947000 0.9162000       2.019000      0.9650000     -0.7205000E-01   1.331000
  1 1 1      16   37    0 o    4.098000      0.7469000       4.636000 1.039000       3.560000       1.074000       1.076000       1.494000
  1 1 1      16   37    1 o    3.102000      0.7623000       2.578000 1.062000       3.626000       1.094000      -1.049000       1.525000
  1 1 1      16   37    2 o    2.122000      0.6724000       1.939000 0.8962000       2.304000       1.003000     -0.3657000       1.345000
  1 1 1      16   37    3 o    3.100000      0.7122000       1.984000 0.9098000       4.216000       1.096000      -2.232000       1.424000
  1 1 1      16   37    4 o    2.426000      0.7445000       2.071000 0.9514000       2.781000       1.145000     -0.7101000       1.489000
  1 1 1      16   37    5 o    3.131000       1.346000                  ?       ?   3.131000       1.346000                  ?              ?
  1 1 1      17  -22    0 o    2.854000      0.6639000       1.835000 0.8493000       3.873000       1.021000      -2.038000       1.328000
  1 1 1      17  -22    1 o    1.977000      0.6271000       1.884000 0.8508000       2.069000      0.9214000     -0.1849000       1.254000
  1 1 1      17  -22    2 o    2.845000      0.7242000       2.916000 1.011000       2.774000       1.037000      0.1415000       1.448000
  1 1 1      17  -22    3 f    2.899000      0.7180000       2.535000 0.9479000       3.263000       1.079000     -0.7275000       1.436000
  1 1 1      17  -22    4 o    3.053000      0.7553000       2.723000 1.032000       3.384000       1.103000     -0.6609000       1.511000
  1 1 1      17  -22    5 o    2.492000      0.6791000       1.775000 0.8246000       3.208000       1.079000      -1.433000       1.358000
  1 1 1      17  -21    0 o    3.208000      0.7299000       3.006000 1.036000       3.409000       1.028000     -0.4023000       1.460000
  1 1 1      17  -21    1 o    3.298000      0.6605000       4.218000 0.8909000       2.377000      0.9753000       1.842000       1.321000
  1 1 1      17  -21    2 o    2.879000      0.7256000       2.838000 1.000000       2.919000       1.051000     -0.8099000E-01   1.451000
  1 1 1      17  -21    3 o    3.105000      0.7197000       2.984000 0.9692000       3.225000       1.064000     -0.2415000       1.439000
  1 1 1      17  -21    4 o    3.205000      0.6914000       2.306000 0.9528000       4.105000       1.002000      -1.798000       1.383000
  1 1 1      17  -21    5 o    2.474000      0.6954000       2.252000 0.9233000       2.696000       1.040000     -0.4434000       1.391000
  1 1 1      17  -21    6 o    3.854000      0.6970000       3.151000 1.024000       4.557000      0.9465000      -1.406000       1.394000
  1 1 1      17  -21    7 o    2.624000      0.7128000       2.405000 0.9566000       2.843000       1.057000     -0.4381000       1.426000
  1 1 1      17  -21    8 o    4.152000      0.7779000       4.728000 0.9822000       3.575000       1.206000       1.153000       1.556000
  1 1 1      17  -21    9 f    2.513000      0.7170000       3.029000 1.085000       1.997000      0.9377000       1.032000       1.434000
  1 1 1      17  -21   10 o    4.316000      0.7551000       4.724000 0.8750000       3.908000       1.231000      0.8159000       1.510000
  1 1 1      17  -20    0 o    2.678000      0.6818000       2.905000 0.9540000       2.450000      0.9743000      0.4555000       1.364000
  1 1 1      17  -20    1 o    3.385000      0.6912000       3.008000 0.9325000       3.761000       1.021000     -0.7526000       1.382000
  1 1 1      17  -20    2 o    5.375000      0.5168000       4.605000 0.7936000       6.145000      0.6622000      -1.540000       1.034000
  1 1 1      17  -20    3 o    2.567000      0.6804000       2.070000 0.8684000       3.064000       1.048000     -0.9949000       1.361000
  1 1 1      17  -20    4 o    3.089000      0.7838000       3.417000 1.082000       2.762000       1.134000      0.6553000       1.568000
  1 1 1      17  -20    5 o    2.589000      0.7484000       2.315000 0.9530000       2.863000       1.154000     -0.5484000       1.497000
  1 1 1      17  -20    6 o    4.051000      0.7840000       4.174000 1.030000       3.928000       1.183000      0.2468000       1.568000
  1 1 1      17  -20    7 o    2.043000      0.6332000       2.170000 0.9183000       1.916000      0.8721000      0.2542000       1.266000
  1 1 1      17  -20    8 o    3.284000      0.6727000       4.143000 0.9090000       2.424000      0.9919000       1.718000       1.345000
  1 1 1      17  -20    9 o    4.588000      0.6064000       4.647000 0.8734000       4.528000      0.8415000      0.1189000       1.213000
  1 1 1      17  -20   10 o    4.509000      0.9854000       6.151000 1.483000       2.866000       1.298000       3.285000       1.971000
  1 1 1      17  -20   11 o    2.927000      0.9422000       2.953000 1.351000       2.902000       1.313000      0.5154000E-01   1.884000
  1 1 1      17  -20   12 o    4.735000      0.8848000       5.600000 1.534000       3.870000      0.8818000       1.730000       1.770000
  1 1 1      17  -20   13 o    2.710000      0.7788000       2.937000 1.120000       2.484000       1.082000      0.4526000       1.558000
  1 1 1      17  -19    0 o    3.155000      0.6358000       3.117000 0.8425000       3.193000      0.9525000     -0.7582000E-01   1.272000
  1 1 1      17  -19    1 o    4.411000      0.7597000       4.752000 0.8621000       4.070000       1.251000      0.6813000       1.519000
  1 1 1      17  -19    2 o    3.061000      0.7717000       2.314000 0.9347000       3.809000       1.228000      -1.495000       1.543000
  1 1 1      17  -19    3 o    4.260000      0.5183000       4.569000 0.6907000       3.951000      0.7728000      0.6177000       1.037000
  1 1 1      17  -19    4 o    6.565000      0.3887000       6.706000 0.5044000       6.424000      0.5915000      0.2819000      0.7774000
  1 1 1      17  -19    5 o    4.601000      0.5236000       4.587000 0.6672000       4.615000      0.8070000     -0.2782000E-01   1.047000
  1 1 1      17  -19    6 o    3.682000      0.8980000       3.799000 1.263000       3.565000       1.277000      0.2338000       1.796000
  1 1 1      17  -19    7 o    3.799000      0.9188000       4.524000 1.348000       3.073000       1.249000       1.451000       1.838000
  1 1 1      17  -19    8 o    4.326000      0.9249000       3.601000 1.368000       5.051000       1.245000      -1.450000       1.850000
  1 1 1      17  -19    9 o    8.014000      0.4140000       7.545000 0.5332000       8.483000      0.6335000     -0.9381000      0.8280000
  1 1 1      17  -19   10 o    2.599000      0.6688000       2.971000 0.9352000       2.227000      0.9564000      0.7437000       1.338000
  1 1 1      17  -19   11 o    4.170000      0.6873000       4.324000 0.9208000       4.016000       1.021000      0.3082000       1.375000
  1 1 1      17  -19   12 o    2.686000      0.7201000       2.374000 0.9681000       2.998000       1.066000     -0.6238000       1.440000
  1 1 1      17  -19   13 o    2.812000      0.7149000       2.544000 0.9564000       3.079000       1.063000     -0.5352000       1.430000
  1 1 1      17  -19   14 o    3.291000      0.6463000       4.481000 0.8949000       2.100000      0.9326000       2.381000       1.293000
  1 1 1      17  -19   15 o    4.151000      0.7047000       4.079000 1.003000       4.223000      0.9896000     -0.1440000       1.409000
  1 1 1      17  -18    0 o    4.702000      0.6437000       4.653000 0.5411000       4.751000       1.168000     -0.9799000E-01   1.287000
  1 1 1      17  -18    1 o    3.750000      0.5238000       3.431000 0.7315000       4.070000      0.7498000     -0.6393000       1.048000
  1 1 1      17  -18    2 o    11.05000      0.2743000       11.01000 0.3652000       11.09000      0.4094000     -0.8111000E-01  0.5486000
  1 1 1      17  -18    3 o    8.735000      0.4402000       8.533000 0.6225000       8.937000      0.6227000     -0.4041000      0.8804000
  1 1 1      17  -18    4 o    5.778000      0.6099000       5.439000 0.8908000       6.117000      0.8334000     -0.6777000       1.220000
  1 1 1      17  -18    5 o    4.204000      0.5255000       4.414000 0.5876000       3.993000      0.8715000      0.4210000       1.051000
  1 1 1      17  -18    6 o    2.863000      0.6657000       2.775000 0.9015000       2.951000      0.9796000     -0.1755000       1.331000
  1 1 1      17  -18    7 o    2.747000      0.6622000       2.828000 0.8693000       2.666000      0.9991000      0.1616000       1.324000
  1 1 1      17  -18    8 o    3.378000      0.6612000       3.744000 0.8632000       3.012000       1.002000      0.7320000       1.322000
  1 1 1      17  -18    9 o    4.287000      0.5930000       4.473000 0.7565000       4.101000      0.9136000      0.3715000       1.186000
  1 1 1      17  -18   10 o    9.523000      0.3979000       9.730000 0.4993000       9.317000      0.6196000      0.4129000      0.7957000
  1 1 1      17  -18   11 o    2.550000      0.6623000       1.866000 0.8441000       3.233000       1.021000      -1.367000       1.325000
  1 1 1      17  -18   12 o    4.126000      0.7036000       4.211000 0.8611000       4.040000       1.113000      0.1711000       1.407000
  1 1 1      17  -18   13 o    2.235000      0.6664000       2.255000 0.9390000       2.215000      0.9459000      0.4053000E-01   1.333000
  1 1 1      17  -18   14 o    4.417000      0.6170000       5.714000 0.6623000       3.121000       1.041000       2.593000       1.234000
  1 1 1      17  -18   15 o    2.969000      0.6990000       2.361000 0.9477000       3.576000       1.028000      -1.215000       1.398000
  1 1 1      17  -18   16 o    3.088000      0.7078000       3.613000 0.9974000       2.562000       1.005000       1.051000       1.416000
  1 1 1      17  -18   17 o    2.909000      0.7645000       3.196000 1.093000       2.621000       1.069000      0.5746000       1.529000
  1 1 1      17  -17    0 o    6.472000      0.4256000       6.213000 0.6492000       6.730000      0.5506000     -0.5175000      0.8513000
  1 1 1      17  -17    1 o    13.94000      0.3565000       13.77000 0.5117000       14.11000      0.4964000     -0.3413000      0.7130000
  1 1 1      17  -17    2 o    10.31000      0.3153000       10.24000 0.5013000       10.37000      0.3826000     -0.1217000      0.6306000
  1 1 1      17  -17    3 o    2.104000      0.5741000       1.632000 0.7350000       2.576000      0.8821000     -0.9448000       1.148000
  1 1 1      17  -17    4 o    1.812000      0.5421000       2.248000 0.8509000       1.376000      0.6719000      0.8720000       1.084000
  1 1 1      17  -17    5 o    3.233000      0.6072000       3.577000 0.7243000       2.889000      0.9746000      0.6877000       1.214000
  1 1 1      17  -17    6 f    5.734000      0.3990000       5.432000 0.5308000       6.035000      0.5960000     -0.6027000      0.7981000
  1 1 1      17  -17    7 o    6.609000      0.3589000       6.886000 0.4496000       6.332000      0.5597000      0.5533000      0.7179000
  1 1 1      17  -17    8 o    5.663000      0.4500000       6.385000 0.4888000       4.941000      0.7557000       1.444000      0.9000000
  1 1 1      17  -17    9 o    3.314000      0.6243000       2.780000 0.8470000       3.848000      0.9173000      -1.068000       1.249000
  1 1 1      17  -17   10 o    4.061000      0.5825000       4.714000 0.6578000       3.407000      0.9615000       1.307000       1.165000
  1 1 1      17  -17   11 o    4.093000      0.6155000       3.773000 0.8593000       4.412000      0.8815000     -0.6392000       1.231000
  1 1 1      17  -17   12 o    3.525000      0.6568000       3.947000 0.8372000       3.102000       1.012000      0.8450000       1.314000
  1 1 1      17  -17   13 o    2.164000      0.6294000       2.533000 0.9445000       1.795000      0.8322000      0.7387000       1.259000
  1 1 1      17  -17   14 o    5.449000      0.5136000       5.542000 0.6139000       5.356000      0.8236000      0.1857000       1.027000
  1 1 1      17  -17   15 o    3.378000      0.6835000       3.020000 0.9304000       3.736000       1.001000     -0.7162000       1.367000
  1 1 1      17  -17   16 o    3.152000      0.6352000       4.060000 0.8422000       2.244000      0.9513000       1.816000       1.270000
  1 1 1      17  -17   17 o    4.606000      0.5852000       4.973000 0.7274000       4.239000      0.9170000      0.7346000       1.170000
  1 1 1      17  -17   18 f    1.750000      0.5686000       1.758000 0.8082000       1.742000      0.8002000      0.1615000E-01   1.137000
  1 1 1      17  -17   19 o    2.809000      0.6684000       3.217000 0.9543000       2.402000      0.9361000      0.8157000       1.337000
  1 1 1      17  -16    0 o    1.954000      0.5509000       1.861000 0.7675000       2.047000      0.7905000     -0.1863000       1.102000
  1 1 1      17  -16    1 o    6.556000      0.3007000       6.500000 0.4128000       6.611000      0.4373000     -0.1113000      0.6014000
  1 1 1      17  -16    2 o    4.072000      0.4445000       4.193000 0.5671000       3.951000      0.6847000      0.2419000      0.8891000
  1 1 1      17  -16    3 o    2.768000      0.5566000       2.345000 0.7869000       3.192000      0.7874000     -0.8475000       1.113000
  1 1 1      17  -16    4 o    4.655000      0.4054000       4.785000 0.5299000       4.525000      0.6136000      0.2605000      0.8108000
  1 1 1      17  -16    5 o    2.912000      0.6024000       3.141000 0.7966000       2.683000      0.9039000      0.4578000       1.205000
  1 1 1      17  -16    6 o    2.492000      0.5800000       2.984000 0.7847000       1.999000      0.8544000      0.9846000       1.160000
  1 1 1      17  -16    7 o    4.142000      0.5059000       4.596000 0.5188000       3.688000      0.8688000      0.9080000       1.012000
  1 1 1      17  -16    8 o    1.802000      0.5589000       1.340000 0.6370000       2.264000      0.9185000     -0.9244000       1.118000
  1 1 1      17  -16    9 o    2.489000      0.6353000       2.450000 0.8526000       2.527000      0.9420000     -0.7674000E-01   1.271000
  1 1 1      17  -16   10 o    2.632000      0.6364000       2.702000 0.8529000       2.562000      0.9447000      0.1403000       1.273000
  1 1 1      17  -16   11 o    3.734000      0.5943000       3.670000 0.7674000       3.798000      0.9077000     -0.1279000       1.189000
  1 1 1      17  -16   12 o    2.237000      0.6364000       2.033000 0.8315000       2.440000      0.9638000     -0.4075000       1.273000
  1 1 1      17  -16   13 o    3.790000      0.5945000       4.643000 0.6506000       2.936000      0.9953000       1.706000       1.189000
  1 1 1      17  -16   14 o    2.049000      0.6161000       1.882000 0.8030000       2.217000      0.9345000     -0.3344000       1.232000
  1 1 1      17  -16   15 o    2.363000      0.6508000       2.404000 0.8873000       2.321000      0.9524000      0.8275000E-01   1.302000
  1 1 1      17  -16   16 o    3.647000      0.6575000       3.392000 0.9223000       3.901000      0.9375000     -0.5089000       1.315000
  1 1 1      17  -16   17 o    3.118000      0.7513000       2.463000 1.158000       3.773000      0.9574000      -1.310000       1.503000
  1 1 1      17  -16   18 o    3.696000      0.6208000       3.829000 0.8308000       3.564000      0.9227000      0.2647000       1.242000
  1 1 1      17  -16   19 o    3.610000      0.6167000       3.747000 0.8625000       3.474000      0.8816000      0.2733000       1.233000
  1 1 1      17  -16   20 o    6.440000      0.3609000       7.178000 0.4816000       5.702000      0.5376000       1.476000      0.7217000
  1 1 1      17  -16   21 o    5.054000      0.9478000       5.054000 0.9478000                  ?              ?              ?              ?
  1 1 1      17  -15    0 o    10.51000      0.2410000       10.49000 0.3330000       10.53000      0.3486000     -0.4422000E-01  0.4821000
  1 1 1      17  -15    1 o    8.425000      0.2512000       8.631000 0.3368000       8.220000      0.3727000      0.4107000      0.5024000
  1 1 1      17  -15    2 o    2.945000      0.5277000       3.405000 0.6928000       2.486000      0.7962000      0.9184000       1.055000
  1 1 1      17  -15    3 o    2.737000      0.5219000       2.065000 0.7746000       3.410000      0.6997000      -1.345000       1.044000
  1 1 1      17  -15    4 o    3.345000      0.4811000       3.683000 0.5822000       3.007000      0.7661000      0.6756000      0.9622000
  1 1 1      17  -15    5 o    4.094000      0.4354000       4.013000 0.5730000       4.175000      0.6557000     -0.1622000      0.8708000
  1 1 1      17  -15    6 o    2.426000      0.5867000       2.166000 0.7771000       2.686000      0.8792000     -0.5195000       1.173000
  1 1 1      17  -15    7 o    2.314000      0.5685000       2.652000 0.7831000       1.975000      0.8243000      0.6772000       1.137000
  1 1 1      17  -15    8 o    1.995000      0.5680000       1.969000 0.7647000       2.021000      0.8402000     -0.5183000E-01   1.136000
  1 1 1      17  -15    9 o    5.114000      0.4586000       6.064000 0.4277000       4.164000      0.8113000       1.900000      0.9171000
  1 1 1      17  -15   10 o    3.025000      0.6135000       2.899000 0.8060000       3.150000      0.9252000     -0.2512000       1.227000
  1 1 1      17  -15   11 o    2.655000      0.5995000       2.901000 0.7921000       2.409000      0.9001000      0.4922000       1.199000
  1 1 1      17  -15   12 o    4.940000      0.4665000       5.050000 0.5380000       4.831000      0.7623000      0.2190000      0.9330000
  1 1 1      17  -15   13 o    2.606000      0.6397000       2.128000 0.8280000       3.084000      0.9752000     -0.9559000       1.279000
  1 1 1      17  -15   14 o    1.938000      0.5937000       1.824000 0.7859000       2.052000      0.8901000     -0.2274000       1.187000
  1 1 1      17  -15   15 f    3.399000      0.6512000       3.868000 0.8176000       2.929000       1.014000      0.9386000       1.302000
  1 1 1      17  -15   16 o    2.826000      0.6408000       3.036000 0.8630000       2.616000      0.9476000      0.4202000       1.282000
  1 1 1      17  -15   17 o    1.938000      0.5702000       2.382000 0.8846000       1.495000      0.7198000      0.8867000       1.140000
  1 1 1      17  -15   18 o    2.343000      0.6039000       1.700000 0.7736000       2.986000      0.9275000      -1.286000       1.208000
  1 1 1      17  -15   19 o    2.078000      0.6007000       1.858000 0.8079000       2.298000      0.8891000     -0.4408000       1.201000
  1 1 1      17  -15   20 o    4.429000      0.6723000       5.135000 0.8159000       3.723000       1.069000       1.411000       1.345000
  1 1 1      17  -15   21 o    2.623000      0.7236000       2.655000 1.007000       2.592000       1.040000      0.6304000E-01   1.447000
  1 1 1      17  -15   22 o    4.530000      0.6427000       4.483000 0.8562000       4.578000      0.9588000     -0.9548000E-01   1.285000
  1 1 1      17  -14    0 o    2.404000      0.5245000       2.050000 0.7488000       2.758000      0.7348000     -0.7086000       1.049000
  1 1 1      17  -14    1 o    7.643000      0.2454000       7.500000 0.3436000       7.786000      0.3505000     -0.2866000      0.4909000
  1 1 1      17  -14    2 f    6.742000      0.2537000       6.883000 0.3559000       6.601000      0.3617000      0.2826000      0.5074000
  1 1 1      17  -14    3 o    7.908000      0.2473000       8.126000 0.3287000       7.691000      0.3696000      0.4343000      0.4946000
  1 1 1      17  -14    4 o    2.830000      0.5054000       2.524000 0.7300000       3.136000      0.6993000     -0.6125000       1.011000
  1 1 1      17  -14    5 o    4.956000      0.3257000       5.117000 0.4266000       4.796000      0.4922000      0.3212000      0.6514000
  1 1 1      17  -14    6 o    4.575000      0.3680000       4.960000 0.4435000       4.189000      0.5874000      0.7714000      0.7360000
  1 1 1      17  -14    7 o    4.721000      0.3803000       4.700000 0.4962000       4.742000      0.5766000     -0.4167000E-01  0.7607000
  1 1 1      17  -14    8 o    5.161000      0.3543000       5.077000 0.4491000       5.246000      0.5481000     -0.1693000      0.7086000
  1 1 1      17  -14    9 o    6.132000      0.3094000       6.034000 0.3910000       6.229000      0.4797000     -0.1948000      0.6188000
  1 1 1      17  -14   10 o    2.749000      0.6006000       2.729000 0.7891000       2.769000      0.9058000     -0.4025000E-01   1.201000
  1 1 1      17  -14   11 o    5.543000      0.3752000       6.073000 0.4243000       5.014000      0.6189000       1.059000      0.7503000
  1 1 1      17  -14   12 o    7.463000      0.3416000       7.824000 0.3833000       7.101000      0.5656000      0.7224000      0.6832000
  1 1 1      17  -14   13 o    3.346000      0.5638000       3.420000 0.6997000       3.271000      0.8843000      0.1496000       1.128000
  1 1 1      17  -14   14 o    1.650000      0.5240000       1.811000 0.7698000       1.489000      0.7111000      0.3223000       1.048000
  1 1 1      17  -14   15 o    3.754000      0.6169000       2.990000 0.9186000       4.517000      0.8236000      -1.526000       1.234000
  1 1 1      17  -14   16 f    2.332000      0.5991000       1.553000 0.7277000       3.111000      0.9520000      -1.558000       1.198000
  1 1 1      17  -14   17 o    6.468000      0.3910000       6.443000 0.5249000       6.493000      0.5796000     -0.5022000E-01  0.7819000
  1 1 1      17  -14   18 o    2.578000      0.6248000       2.941000 0.9030000       2.214000      0.8637000      0.7265000       1.250000
  1 1 1      17  -14   19 o    2.029000      0.5901000       1.877000 0.7976000       2.181000      0.8699000     -0.3035000       1.180000
  1 1 1      17  -14   20 o    2.530000      0.5887000       3.135000 0.8414000       1.925000      0.8237000       1.211000       1.177000
  1 1 1      17  -14   21 o    2.304000      0.5947000       2.221000 0.8451000       2.387000      0.8370000     -0.1658000       1.189000
  1 1 1      17  -14   22 o    2.358000      0.5724000       2.700000 0.8386000       2.016000      0.7793000      0.6840000       1.145000
  1 1 1      17  -14   23 o    3.110000      0.6625000       3.663000 0.9687000       2.557000      0.9041000       1.106000       1.325000
  1 1 1      17  -13    0 o    6.125000      0.2817000       6.217000 0.3988000       6.033000      0.3981000      0.1840000      0.5635000
  1 1 1      17  -13    1 o    5.554000      0.2814000       5.493000 0.4033000       5.614000      0.3927000     -0.1212000      0.5629000
  1 1 1      17  -13    2 o    10.86000      0.2276000       10.91000 0.3171000       10.81000      0.3265000      0.1029000      0.4552000
  1 1 1      17  -13    3 o    7.375000      0.2377000       7.220000 0.3358000       7.530000      0.3365000     -0.3105000      0.4754000
  1 1 1      17  -13    4 o    5.146000      0.2979000       5.724000 0.3843000       4.569000      0.4554000       1.155000      0.5959000
  1 1 1      17  -13    5 o    2.149000      0.4962000       1.562000 0.6726000       2.736000      0.7296000      -1.174000      0.9923000
  1 1 1      17  -13    6 o    4.769000      0.3154000       4.332000 0.4631000       5.207000      0.4284000     -0.8757000      0.6309000
  1 1 1      17  -13    7 o    8.790000      0.2348000       8.474000 0.3190000       9.106000      0.3447000     -0.6316000      0.4696000
  1 1 1      17  -13    8 o    10.13000      0.2388000       10.01000 0.3181000       10.24000      0.3564000     -0.2291000      0.4777000
  1 1 1      17  -13    9 o    2.010000      0.5427000       1.667000 0.6981000       2.353000      0.8310000     -0.6858000       1.085000
  1 1 1      17  -13   10 o    5.455000      0.3495000       5.897000 0.4063000       5.013000      0.5687000      0.8836000      0.6989000
  1 1 1      17  -13   11 o    5.554000      0.4068000       5.572000 0.4994000       5.536000      0.6423000      0.3629000E-01  0.8136000
  1 1 1      17  -13   12 o    3.846000      0.5310000       5.091000 0.5160000       2.602000      0.9282000       2.488000       1.062000
  1 1 1      17  -13   13 o    5.306000      0.4167000       5.736000 0.4699000       4.876000      0.6884000      0.8594000      0.8335000
  1 1 1      17  -13   14 o    6.097000      0.3478000       6.368000 0.4567000       5.825000      0.5246000      0.5427000      0.6955000
  1 1 1      17  -13   15 o    3.171000      0.5705000       3.141000 0.7186000       3.201000      0.8863000     -0.5919000E-01   1.141000
  1 1 1      17  -13   16 o    4.278000      0.4867000       4.430000 0.5928000       4.127000      0.7720000      0.3034000      0.9734000
  1 1 1      17  -13   17 o    3.354000      0.9325000       4.042000 1.419000       2.665000       1.210000       1.377000       1.865000
  1 1 1      17  -13   19 o    3.929000      0.7681000       3.850000 1.133000       4.008000       1.038000     -0.1580000       1.536000
  1 1 1      17  -13   20 o    2.916000      0.7652000       3.137000 1.107000       2.695000       1.057000      0.4420000       1.530000
  1 1 1      17  -13   21 o    2.532000      0.5222000       1.787000 0.7528000       3.277000      0.7240000      -1.490000       1.044000
  1 1 1      17  -13   22 o    1.803000      0.5259000       1.461000 0.6780000       2.145000      0.8040000     -0.6836000       1.052000
  1 1 1      17  -13   23 o    3.672000      0.4744000       4.223000 0.5969000       3.122000      0.7374000       1.101000      0.9487000
  1 1 1      17  -13   24 o    1.770000      0.5216000       2.238000 0.8372000       1.303000      0.6224000      0.9349000       1.043000
  1 1 1      17  -12    0 o    8.575000      0.2299000       8.953000 0.3271000       8.198000      0.3232000      0.7554000      0.4598000
  1 1 1      17  -12    1 o    2.111000      0.5006000       2.401000 0.7100000       1.822000      0.7060000      0.5787000       1.001000
  1 1 1      17  -12    2 o    1.741000      0.4852000       2.022000 0.7237000       1.461000      0.6464000      0.5605000      0.9704000
  1 1 1      17  -12    3 o    2.632000      0.4474000       3.443000 0.5741000       1.821000      0.6863000       1.622000      0.8948000
  1 1 1      17  -12    4 o    7.769000      0.2307000       7.820000 0.3257000       7.719000      0.3269000      0.1010000      0.4615000
  1 1 1      17  -12    5 o    8.795000      0.2260000       9.180000 0.3092000       8.411000      0.3298000      0.7688000      0.4521000
  1 1 1      17  -12    6 o    10.85000      0.2222000       10.92000 0.3059000       10.79000      0.3222000      0.1326000      0.4443000
  1 1 1      17  -12    7 o    6.033000      0.2542000       5.855000 0.3471000       6.210000      0.3717000     -0.3551000      0.5085000
  1 1 1      17  -12    8 o    3.821000      0.5847000       3.952000 0.6861000       3.689000      0.9470000      0.2625000       1.169000
  1 1 1      17  -12    9 o    4.010000      0.5659000       3.927000 0.6869000       4.093000      0.8995000     -0.1662000       1.132000
  1 1 1      17  -12   10 o    5.905000      0.3490000       5.584000 0.3573000       6.226000      0.5996000     -0.6419000      0.6980000
  1 1 1      17  -12   11 o    5.260000      0.3519000       5.087000 0.4597000       5.433000      0.5329000     -0.3464000      0.7038000
  1 1 1      17  -12   12 o    10.19000      0.2916000       10.41000 0.3480000       9.965000      0.4680000      0.4426000      0.5832000
  1 1 1      17  -12   13 o    8.422000      0.3323000       8.422000 0.3323000                  ?              ?              ?              ?
  1 1 1      17  -12   14 o    6.081000      0.7907000       7.842000 0.9755000       4.319000       1.245000       3.523000       1.581000
  1 1 1      17  -12   15 o    3.445000      0.8632000       4.777000 1.392000       2.113000       1.021000       2.664000       1.726000
  1 1 1      17  -12   16 o    11.45000      0.4681000                  ?       ?   11.45000      0.4681000                  ?              ?
  1 1 1      17  -12   17 o    7.764000      0.3091000       8.152000 0.4148000       7.377000      0.4584000      0.7754000      0.6182000
  1 1 1      17  -12   18 o    1.994000      0.5595000       1.643000 0.7209000       2.345000      0.8558000     -0.7019000       1.119000
  1 1 1      17  -12   19 o    3.796000      0.4590000       3.643000 0.6338000       3.950000      0.6642000     -0.3069000      0.9181000
  1 1 1      17  -12   20 o    3.977000      0.4491000       4.229000 0.5728000       3.724000      0.6919000      0.5044000      0.8983000
  1 1 1      17  -12   21 o    2.349000      0.5490000       2.526000 0.7626000       2.173000      0.7899000      0.3533000       1.098000
  1 1 1      17  -12   22 o    1.813000      0.5064000       1.420000 0.6513000       2.207000      0.7756000     -0.7871000       1.013000
  1 1 1      17  -12   23 o    3.319000      0.4681000       3.558000 0.6259000       3.081000      0.6962000      0.4776000      0.9362000
  1 1 1      17  -12   24 o    2.173000      0.5416000       2.564000 0.7936000       1.783000      0.7372000      0.7809000       1.083000
  1 1 1      17  -12   25 o    2.778000      0.6182000       2.886000 0.8120000       2.669000      0.9323000      0.2177000       1.236000
  1 1 1      17  -11    0 o    4.652000      0.3208000       5.190000 0.4272000       4.113000      0.4787000       1.077000      0.6416000
  1 1 1      17  -11    1 o    6.689000      0.2468000       6.678000 0.3524000       6.700000      0.3455000     -0.2135000E-01  0.4936000
  1 1 1      17  -11    2 o    4.339000      0.3120000       4.753000 0.4103000       3.925000      0.4700000      0.8280000      0.6239000
  1 1 1      17  -11    3 o    6.353000      0.2446000       6.319000 0.3548000       6.386000      0.3369000     -0.6770000E-01  0.4892000
  1 1 1      17  -11    4 o    2.010000      0.4840000       1.883000 0.6913000       2.137000      0.6776000     -0.2539000      0.9680000
  1 1 1      17  -11    5 o    9.763000      0.2135000       10.13000 0.2994000       9.394000      0.3044000      0.7373000      0.4270000
  1 1 1      17  -11    6 o    6.669000      0.3791000       5.970000 0.5112000       7.369000      0.5601000      -1.399000      0.7583000
  1 1 1      17  -11    7 o    10.46000      0.3365000       10.97000 0.4328000       9.948000      0.5154000       1.025000      0.6730000
  1 1 1      17  -11    8 o    15.61000      0.2488000       15.66000 0.3493000       15.56000      0.3542000      0.1019000      0.4975000
  1 1 1      17  -11    9 o    2.912000      0.4722000       3.104000 0.6062000       2.720000      0.7242000      0.3841000      0.9444000
  1 1 1      17  -11   10 f    7.936000      0.3453000       8.017000 0.4645000       7.854000      0.5110000      0.1629000      0.6906000
  1 1 1      17  -11   11 o    2.280000      0.6340000       2.229000 0.8581000       2.331000      0.9335000     -0.1018000       1.268000
  1 1 1      17  -11   12 o    3.050000      0.7780000       3.690000 1.104000       2.411000       1.096000       1.279000       1.556000
  1 1 1      17  -11   13 o    2.844000      0.5586000       2.988000 0.6993000       2.701000      0.8713000      0.2870000       1.117000
  1 1 1      17  -11   14 o    2.728000      0.5518000       2.961000 0.7194000       2.495000      0.8369000      0.4657000       1.104000
  1 1 1      17  -11   15 o    7.453000      0.2960000       7.583000 0.3631000       7.323000      0.4676000      0.2604000      0.5920000
  1 1 1      17  -11   16 o    11.80000      0.3023000       11.50000 0.4042000       12.10000      0.4497000     -0.5959000      0.6046000
  1 1 1      17  -11   17 o    2.010000      0.5504000       2.227000 0.7789000       1.794000      0.7779000      0.4332000       1.101000
  1 1 1      17  -11   18 o    2.755000      0.5597000       2.598000 0.7418000       2.912000      0.8383000     -0.3149000       1.119000
  1 1 1      17  -11   19 o    3.654000      0.4522000       3.842000 0.5759000       3.466000      0.6973000      0.3766000      0.9044000
  1 1 1      17  -11   20 o    5.950000      0.3456000       5.579000 0.4234000       6.321000      0.5463000     -0.7418000      0.6911000
  1 1 1      17  -11   21 o    2.551000      0.5122000       2.301000 0.7282000       2.801000      0.7206000     -0.5001000       1.024000
  1 1 1      17  -11   22 o    3.796000      0.4020000       4.243000 0.4766000       3.349000      0.6475000      0.8933000      0.8040000
  1 1 1      17  -11   23 o    1.879000      0.5016000       2.066000 0.7299000       1.692000      0.6883000      0.3742000       1.003000
  1 1 1      17  -11   24 o    3.365000      0.4407000       3.359000 0.6506000       3.370000      0.5947000     -0.1085000E-01  0.8814000
  1 1 1      17  -11   25 o    1.603000      0.7130000       1.603000 0.7130000                  ?              ?              ?              ?
  1 1 1      17  -11   26 o    2.731000      0.4680000       1.654000 0.7313000       3.808000      0.5841000      -2.154000      0.9359000
  1 1 1      17  -10    0 o    7.872000      0.2361000       7.904000 0.3439000       7.839000      0.3236000      0.6523000E-01  0.4723000
  1 1 1      17  -10    1 o    1.972000      0.4936000       1.850000 0.7070000       2.094000      0.6890000     -0.2441000      0.9872000
  1 1 1      17  -10    2 o    1.577000      0.4539000       1.514000 0.6330000       1.640000      0.6507000     -0.1261000      0.9078000
  1 1 1      17  -10    3 o    7.230000      0.3782000       6.572000 0.5188000       7.887000      0.5504000      -1.315000      0.7563000
  1 1 1      17  -10    4 o    3.971000      0.5569000       3.734000 0.7438000       4.207000      0.8291000     -0.4729000       1.114000
  1 1 1      17  -10    5 o    8.725000      0.2095000       8.475000 0.2997000       8.976000      0.2929000     -0.5011000      0.4191000
  1 1 1      17  -10    6 o    10.63000      0.2090000       10.76000 0.2958000       10.50000      0.2952000      0.2592000      0.4179000
  1 1 1      17  -10    7 o    15.82000      0.2490000       15.94000 0.3512000       15.71000      0.3531000      0.2319000      0.4981000
  1 1 1      17  -10    8 o    10.55000      0.2771000       10.93000 0.4023000       10.16000      0.3812000      0.7673000      0.5542000
  1 1 1      17  -10    9 o    5.032000      0.3337000       4.587000 0.4986000       5.477000      0.4436000     -0.8895000      0.6674000
  1 1 1      17  -10   10 o    10.18000      0.2215000       10.10000 0.2918000       10.25000      0.3333000     -0.1507000      0.4429000
  1 1 1      17  -10   11 o    6.156000      0.2640000       6.331000 0.3267000       5.981000      0.4148000      0.3492000      0.5280000
  1 1 1      17  -10   12 o    4.002000      0.3913000       3.966000 0.4869000       4.038000      0.6127000     -0.7127000E-01  0.7826000
  1 1 1      17  -10   13 o    7.728000      0.2706000       7.565000 0.3436000       7.890000      0.4181000     -0.3254000      0.5411000
  1 1 1      17  -10   14 o    2.335000      0.5553000       1.973000 0.7160000       2.697000      0.8489000     -0.7240000       1.111000
  1 1 1      17  -10   15 o    2.729000      0.5216000       2.012000 0.7462000       3.446000      0.7291000      -1.434000       1.043000
  1 1 1      17  -10   16 o    2.246000      0.5341000       2.575000 0.7342000       1.917000      0.7759000      0.6585000       1.068000
  1 1 1      17  -10   17 o    10.33000      0.2848000       10.05000 0.3765000       10.60000      0.4273000     -0.5549000      0.5695000
  1 1 1      17  -10   18 o    6.147000      0.2969000       6.144000 0.3889000       6.150000      0.4488000     -0.6368000E-02  0.5939000
  1 1 1      17  -10   19 o    6.664000      0.2980000       6.293000 0.3629000       7.036000      0.4728000     -0.7432000      0.5960000
  1 1 1      17  -10   20 o    3.390000      0.4428000       4.078000 0.4728000       2.702000      0.7489000       1.376000      0.8857000
  1 1 1      17  -10   21 o    2.468000      0.4787000       2.872000 0.6301000       2.064000      0.7209000      0.8077000      0.9575000
  1 1 1      17  -10   22 o    8.152000      0.2062000       8.553000 0.2861000       7.752000      0.2969000      0.8012000      0.4123000
  1 1 1      17  -10   23 o    1.734000      0.4773000       1.623000 0.6583000       1.845000      0.6913000     -0.2224000      0.9546000
  1 1 1      17  -10   24 o    4.704000      0.2897000       4.538000 0.4480000       4.870000      0.3676000     -0.3321000      0.5795000
  1 1 1      17  -10   25 o    1.847000      0.5023000       2.226000 0.7691000       1.467000      0.6463000      0.7587000       1.005000
  1 1 1      17  -10   26 o    4.952000      0.3117000       4.663000 0.4956000       5.240000      0.3781000     -0.5773000      0.6234000
  1 1 1      17  -10   27 o    3.533000      0.5149000       2.530000 0.9106000       4.537000      0.4810000      -2.007000       1.030000
  1 1 1      17   -9    0 o    10.26000      0.3108000       9.595000 0.3210000       10.93000      0.5324000      -1.333000      0.6217000
  1 1 1      17   -9    1 o    6.483000      0.4101000       7.185000 0.4768000       5.781000      0.6674000       1.404000      0.8202000
  1 1 1      17   -9    2 o    14.74000      0.3648000       14.28000 0.4942000       15.20000      0.5368000     -0.9180000      0.7297000
  1 1 1      17   -9    3 o    4.738000      0.2780000       4.874000 0.3966000       4.603000      0.3898000      0.2710000      0.5561000
  1 1 1      17   -9    4 o    8.691000      0.2100000       8.528000 0.2961000       8.854000      0.2979000     -0.3256000      0.4200000
  1 1 1      17   -9    5 o    12.83000      0.3004000       12.39000 0.4306000       13.28000      0.4191000     -0.8964000      0.6009000
  1 1 1      17   -9    6 o    6.152000      0.2792000       5.713000 0.4314000       6.591000      0.3545000     -0.8786000      0.5583000
  1 1 1      17   -9    7 o    4.137000      0.3257000       4.481000 0.4980000       3.792000      0.4198000      0.6889000      0.6513000
  1 1 1      17   -9    8 o    7.337000      0.2082000       7.354000 0.2908000       7.320000      0.2980000      0.3384000E-01  0.4163000
  1 1 1      17   -9    9 f    10.18000      0.2028000       10.24000 0.2811000       10.13000      0.2923000      0.1119000      0.4056000
  1 1 1      17   -9   10 o    12.00000      0.2122000       11.65000 0.2886000       12.34000      0.3112000     -0.6888000      0.4244000
  1 1 1      17   -9   11 o    3.617000      0.3805000       3.751000 0.4417000       3.483000      0.6197000      0.2687000      0.7610000
  1 1 1      17   -9   12 o    1.575000      0.4705000       1.442000 0.6174000       1.708000      0.7101000     -0.2664000      0.9410000
  1 1 1      17   -9   13 o    3.245000      0.4729000       3.014000 0.6138000       3.476000      0.7197000     -0.4611000      0.9458000
  1 1 1      17   -9   14 o    1.617000      0.4979000       1.351000 0.6066000       1.882000      0.7898000     -0.5306000      0.9959000
  1 1 1      17   -9   15 o    3.931000      0.4568000       4.739000 0.4524000       3.123000      0.7938000       1.616000      0.9136000
  1 1 1      17   -9   16 o    4.425000      0.3550000       4.462000 0.4286000       4.388000      0.5661000      0.7350000E-01  0.7100000
  1 1 1      17   -9   17 o    2.463000      0.5210000       1.903000 0.7182000       3.022000      0.7550000      -1.120000       1.042000
  1 1 1      17   -9   18 o    2.169000      0.4963000       2.551000 0.6561000       1.788000      0.7448000      0.7635000      0.9925000
  1 1 1      17   -9   19 o    2.800000      0.4963000       2.485000 0.6748000       3.114000      0.7280000     -0.6295000      0.9926000
  1 1 1      17   -9   20 o    2.146000      0.4734000       2.555000 0.6415000       1.736000      0.6964000      0.8189000      0.9468000
  1 1 1      17   -9   21 o    2.158000      0.4296000       2.703000 0.5525000       1.612000      0.6579000       1.091000      0.8591000
  1 1 1      17   -9   22 o    8.423000      0.1921000       8.459000 0.2669000       8.387000      0.2764000      0.7185000E-01  0.3842000
  1 1 1      17   -9   23 f    1.625000      0.4492000       1.543000 0.6284000       1.708000      0.6419000     -0.1645000      0.8983000
  1 1 1      17   -9   24 f    4.623000      0.2674000       4.297000 0.4172000       4.949000      0.3346000     -0.6522000      0.5348000
  1 1 1      17   -9   25 o    5.124000      0.2716000       4.707000 0.4244000       5.541000      0.3389000     -0.8335000      0.5432000
  1 1 1      17   -9   26 o    4.175000      0.3470000       4.544000 0.4591000       3.805000      0.5206000      0.7392000      0.6941000
  1 1 1      17   -9   27 o    2.187000      0.5054000       1.652000 0.7138000       2.722000      0.7157000      -1.069000       1.011000
  1 1 1      17   -9   28 o    1.448000      0.4646000       1.612000 0.7123000       1.283000      0.5967000      0.3294000      0.9292000
  1 1 1      17   -8    0 o    3.879000      0.5530000       4.271000 0.6873000       3.488000      0.8666000      0.7823000       1.106000
  1 1 1      17   -8    1 o    14.21000      0.2434000       14.61000 0.3490000       13.82000      0.3394000      0.7862000      0.4868000
  1 1 1      17   -8    2 o    8.257000      0.2162000       8.125000 0.3070000       8.389000      0.3044000     -0.2632000      0.4323000
  1 1 1      17   -8    3 o    7.308000      0.2863000       7.317000 0.4281000       7.300000      0.3803000      0.1719000E-01  0.5727000
  1 1 1      17   -8    4 o    9.653000      0.2707000       10.01000 0.3992000       9.299000      0.3659000      0.7078000      0.5415000
  1 1 1      17   -8    5 o    6.788000      0.2155000       6.638000 0.3084000       6.938000      0.3012000     -0.3004000      0.4311000
  1 1 1      17   -8    6 o    10.00000      0.2002000       9.937000 0.2841000       10.06000      0.2821000     -0.1248000      0.4004000
  1 1 1      17   -8    7 o    7.070000      0.2026000       7.074000 0.2846000       7.065000      0.2884000      0.8650000E-02  0.4052000
  1 1 1      17   -8    8 o    8.991000      0.1940000       8.974000 0.2717000       9.008000      0.2770000     -0.3455000E-01  0.3881000
  1 1 1      17   -8    9 o    5.014000      0.2313000       4.383000 0.3462000       5.645000      0.3069000      -1.261000      0.4626000
  1 1 1      17   -8   10 o    3.508000      0.3080000       3.324000 0.4294000       3.693000      0.4417000     -0.3689000      0.6161000
  1 1 1      17   -8   11 o    9.626000      0.1956000       9.722000 0.2672000       9.530000      0.2857000      0.1916000      0.3912000
  1 1 1      17   -8   12 f    13.18000      0.2223000       13.21000 0.3060000       13.16000      0.3226000      0.5149000E-01  0.4446000
  1 1 1      17   -8   13 o    5.237000      0.2680000       4.968000 0.3366000       5.506000      0.4171000     -0.5382000      0.5360000
  1 1 1      17   -8   14 o    3.159000      0.4821000       3.671000 0.5069000       2.647000      0.8201000       1.023000      0.9641000
  1 1 1      17   -8   15 o    3.663000      0.4347000       3.913000 0.4739000       3.414000      0.7289000      0.4998000      0.8694000
  1 1 1      17   -8   16 o    9.749000      0.2755000       9.627000 0.3376000       9.872000      0.4354000     -0.2449000      0.5510000
  1 1 1      17   -8   17 o    5.427000      0.3176000       5.333000 0.3859000       5.521000      0.5046000     -0.1883000      0.6353000
  1 1 1      17   -8   18 o    1.880000      0.5051000       1.977000 0.6864000       1.784000      0.7412000      0.1924000       1.010000
  1 1 1      17   -8   19 o    1.667000      0.4685000       1.155000 0.5412000       2.179000      0.7649000      -1.023000      0.9370000
  1 1 1      17   -8   20 o    5.111000      0.2887000       5.318000 0.3918000       4.904000      0.4241000      0.4140000      0.5774000
  1 1 1      17   -8   21 o    5.683000      0.2143000       5.894000 0.2724000       5.472000      0.3309000      0.4216000      0.4286000
  1 1 1      17   -8   22 o    2.343000      0.4487000       2.814000 0.6441000       1.871000      0.6249000      0.9437000      0.8974000
  1 1 1      17   -8   23 o    2.995000      0.3470000       2.821000 0.5204000       3.170000      0.4591000     -0.3495000      0.6940000
  1 1 1      17   -8   24 o    1.799000      0.4568000       1.911000 0.6714000       1.688000      0.6198000      0.2237000      0.9137000
  1 1 1      17   -8   25 o    2.546000      0.4165000       2.166000 0.6698000       2.925000      0.4952000     -0.7585000      0.8330000
  1 1 1      17   -8   26 f    2.664000      0.7333000       2.664000 0.7333000                  ?              ?              ?              ?
  1 1 1      17   -8   27 f    2.885000      0.4793000       2.243000 0.7799000       3.528000      0.5572000      -1.285000      0.9585000
  1 1 1      17   -8   28 o    1.389000      0.4727000       1.657000 0.7778000       1.120000      0.5375000      0.5369000      0.9455000
  1 1 1      17   -8   29 o    1.597000      0.4797000       1.510000 0.6786000       1.683000      0.6782000     -0.1737000      0.9594000
  1 1 1      17   -7    0 o    4.614000      0.3129000       5.022000 0.4321000       4.207000      0.4526000      0.8155000      0.6257000
  1 1 1      17   -7    1 o    2.219000      0.4832000       2.034000 0.7262000       2.403000      0.6377000     -0.3693000      0.9665000
  1 1 1      17   -7    2 o    11.29000      0.2910000       10.75000 0.4189000       11.83000      0.4041000      -1.081000      0.5821000
  1 1 1      17   -7    3 o    7.414000      0.2158000       7.445000 0.3057000       7.383000      0.3047000      0.6186000E-01  0.4317000
  1 1 1      17   -7    4 o    10.87000      0.2129000       10.81000 0.2984000       10.93000      0.3038000     -0.1244000      0.4259000
  1 1 1      17   -7    5 o    14.28000      0.2344000       14.58000 0.3332000       13.98000      0.3299000      0.5981000      0.4689000
  1 1 1      17   -7    6 o    9.437000      0.1965000       9.464000 0.2795000       9.410000      0.2762000      0.5426000E-01  0.3929000
  1 1 1      17   -7    7 o    5.162000      0.2208000       5.098000 0.3190000       5.227000      0.3055000     -0.1295000      0.4416000
  1 1 1      17   -7    8 o    10.41000      0.1939000       10.39000 0.2723000       10.43000      0.2762000     -0.4378000E-01  0.3878000
  1 1 1      17   -7    9 f    5.455000      0.2004000       5.509000 0.2842000       5.402000      0.2825000      0.1063000      0.4008000
  1 1 1      17   -7   10 o    3.538000      0.2842000       3.774000 0.3769000       3.302000      0.4254000      0.4712000      0.5684000
  1 1 1      17   -7   11 o    6.772000      0.1926000       6.623000 0.2667000       6.921000      0.2778000     -0.2981000      0.3851000
  1 1 1      17   -7   12 o    6.536000      0.2040000       6.580000 0.2672000       6.492000      0.3084000      0.8879000E-01  0.4081000
  1 1 1      17   -7   13 o    8.302000      0.2015000       8.583000 0.2608000       8.021000      0.3074000      0.5618000      0.4031000
  1 1 1      17   -7   14 o    13.52000      0.2373000       13.49000 0.3125000       13.55000      0.3572000     -0.6707000E-01  0.4746000
  1 1 1      17   -7   15 o    5.125000      0.3157000       5.442000 0.3472000       4.808000      0.5275000      0.6335000      0.6315000
  1 1 1      17   -7   16 o    3.760000      0.4103000       3.981000 0.4886000       3.540000      0.6593000      0.4412000      0.8206000
  1 1 1      17   -7   17 o    5.835000      0.2892000       6.247000 0.3520000       5.422000      0.4589000      0.8250000      0.5784000
  1 1 1      17   -7   18 o    1.754000      0.4865000       1.521000 0.6272000       1.986000      0.7439000     -0.4647000      0.9730000
  1 1 1      17   -7   19 o    5.314000      0.2895000       5.735000 0.3536000       4.893000      0.4585000      0.8418000      0.5790000
  1 1 1      17   -7   20 o    3.609000      0.3677000       4.168000 0.3770000       3.051000      0.6314000       1.118000      0.7354000
  1 1 1      17   -7   21 o    4.795000      0.2273000       5.066000 0.2775000       4.524000      0.3600000      0.5425000      0.4546000
  1 1 1      17   -7   22 o    3.855000      0.2363000       3.350000 0.3654000       4.359000      0.2996000      -1.009000      0.4725000
  1 1 1      17   -7   23 o    3.088000      0.4546000       4.133000 0.4856000       2.042000      0.7685000       2.091000      0.9091000
  1 1 1      17   -7   24 o    2.557000      0.5475000       2.447000 0.7607000       2.667000      0.7876000     -0.2194000       1.095000
  1 1 1      17   -7   25 o    2.674000      0.4918000       3.481000 0.6093000       1.868000      0.7723000       1.613000      0.9837000
  1 1 1      17   -7   26 o    3.720000      0.7101000       3.720000 0.7101000                  ?              ?              ?              ?
  1 1 1      17   -7   27 o    2.238000      0.5665000       3.002000 0.8999000       1.474000      0.6885000       1.528000       1.133000
  1 1 1      17   -7   28 o    2.721000      0.9087000                  ?       ?   2.721000      0.9087000                  ?              ?
  1 1 1      17   -7   29 o    1.634000      0.4598000       1.867000 0.7034000       1.401000      0.5923000      0.4653000      0.9196000
  1 1 1      17   -6    0 o    4.926000      0.4577000                  ?       ?   4.926000      0.4577000                  ?              ?
  1 1 1      17   -6    1 o    9.206000      0.2926000       9.099000 0.4432000       9.313000      0.3821000     -0.2146000      0.5851000
  1 1 1      17   -6    2 o    5.117000      0.2666000       5.065000 0.3925000       5.169000      0.3609000     -0.1036000      0.5332000
  1 1 1      17   -6    3 o    6.763000      0.2211000       6.499000 0.3195000       7.027000      0.3057000     -0.5282000      0.4422000
  1 1 1      17   -6    4 o    6.651000      0.2158000       6.510000 0.3112000       6.791000      0.2991000     -0.2810000      0.4316000
  1 1 1      17   -6    5 o    14.83000      0.2381000       14.87000 0.3358000       14.78000      0.3376000      0.8424000E-01  0.4762000
  1 1 1      17   -6    6 o    3.863000      0.2897000       3.611000 0.4433000       4.116000      0.3729000     -0.5047000      0.5793000
  1 1 1      17   -6    7 o    14.30000      0.2279000       14.40000 0.3222000       14.21000      0.3223000      0.1937000      0.4557000
  1 1 1      17   -6    8 o    6.459000      0.1950000       6.355000 0.2804000       6.562000      0.2710000     -0.2072000      0.3900000
  1 1 1      17   -6    9 o    5.987000      0.1956000       6.009000 0.2761000       5.966000      0.2773000      0.4328000E-01  0.3913000
  1 1 1      17   -6   10 o    12.49000      0.2056000       12.71000 0.2909000       12.26000      0.2908000      0.4439000      0.4113000
  1 1 1      17   -6   11 f    15.14000      0.2320000       14.97000 0.3228000       15.31000      0.3333000     -0.3397000      0.4640000
  1 1 1      17   -6   12 o    5.796000      0.1961000       5.997000 0.2563000       5.596000      0.2968000      0.4019000      0.3921000
  1 1 1      17   -6   13 o    7.102000      0.1996000       6.931000 0.2590000       7.272000      0.3038000     -0.3415000      0.3992000
  1 1 1      17   -6   14 o    10.14000      0.1967000       10.15000 0.2607000       10.12000      0.2945000      0.2747000E-01  0.3933000
  1 1 1      17   -6   15 o    11.14000      0.2296000       11.36000 0.2957000       10.91000      0.3513000      0.4465000      0.4592000
  1 1 1      17   -6   16 f    4.231000      0.3815000       4.538000 0.4035000       3.923000      0.6475000      0.6146000      0.7629000
  1 1 1      17   -6   17 o    9.542000      0.2637000       9.083000 0.3286000       10.00000      0.4124000     -0.9183000      0.5273000
  1 1 1      17   -6   18 o    3.460000      0.4544000       3.833000 0.4749000       3.088000      0.7749000      0.7444000      0.9089000
  1 1 1      17   -6   19 f    6.242000      0.2687000       6.187000 0.3515000       6.297000      0.4064000     -0.1104000      0.5373000
  1 1 1      17   -6   20 o    2.329000      0.4785000       1.889000 0.6660000       2.769000      0.6872000     -0.8804000      0.9570000
  1 1 1      17   -6   21 f    4.185000      0.3270000       4.247000 0.4124000       4.122000      0.5077000      0.1252000      0.6540000
  1 1 1      17   -6   22 o    5.412000      0.1730000       5.371000 0.2355000       5.453000      0.2535000     -0.8185000E-01  0.3461000
  1 1 1      17   -6   23 o    5.153000      0.1781000       5.267000 0.2522000       5.039000      0.2514000      0.2277000      0.3561000
  1 1 1      17   -6   24 o    5.119000      0.1871000       5.372000 0.2667000       4.866000      0.2623000      0.5063000      0.3741000
  1 1 1      17   -6   25 o    2.582000      0.3776000       2.414000 0.5898000       2.750000      0.4717000     -0.3362000      0.7552000
  1 1 1      17   -6   26 o    5.451000      0.2211000       5.321000 0.2887000       5.580000      0.3350000     -0.2592000      0.4422000
  1 1 1      17   -6   27 o    4.584000      0.3595000       4.725000 0.5574000       4.442000      0.4540000      0.2831000      0.7189000
  1 1 1      17   -6   28 o    1.590000      0.4892000       1.460000 0.6869000       1.721000      0.6967000     -0.2614000      0.9784000
  1 1 1      17   -6   29 o    2.978000      0.5335000       2.635000 0.8649000       3.321000      0.6247000     -0.6858000       1.067000
  1 1 1      17   -6   30 o    1.596000      0.4946000       1.509000 0.6937000       1.682000      0.7053000     -0.1734000      0.9893000
  1 1 1      17   -5    1 f    4.414000      0.2978000       4.620000 0.4296000       4.208000      0.4125000      0.4119000      0.5956000
  1 1 1      17   -5    2 o    4.153000      0.3068000       3.932000 0.4580000       4.375000      0.4084000     -0.4429000      0.6137000
  1 1 1      17   -5    3 o    1.481000      0.4267000       1.351000 0.5927000       1.611000      0.6140000     -0.2607000      0.8534000
  1 1 1      17   -5    4 o    3.451000      0.3322000       3.123000 0.5146000       3.779000      0.4204000     -0.6555000      0.6645000
  1 1 1      17   -5    5 o    6.589000      0.2079000       6.549000 0.2968000       6.629000      0.2913000     -0.8076000E-01  0.4159000
  1 1 1      17   -5    6 o    10.14000      0.1977000       10.33000 0.2814000       9.948000      0.2778000      0.3787000      0.3954000
  1 1 1      17   -5    7 o    4.871000      0.2296000       4.883000 0.3279000       4.858000      0.3216000      0.2505000E-01  0.4593000
  1 1 1      17   -5    8 o    11.70000      0.2024000       11.93000 0.2888000       11.47000      0.2838000      0.4662000      0.4049000
  1 1 1      17   -5    9 o    3.997000      0.2402000       4.411000 0.3187000       3.583000      0.3596000      0.8279000      0.4805000
  1 1 1      17   -5   10 o    9.904000      0.1852000       9.935000 0.2606000       9.873000      0.2633000      0.6177000E-01  0.3704000
  1 1 1      17   -5   11 o    8.964000      0.1776000       9.118000 0.2509000       8.810000      0.2514000      0.3073000      0.3552000
  1 1 1      17   -5   12 o    7.983000      0.1761000       7.711000 0.2458000       8.255000      0.2521000     -0.5437000      0.3521000
  1 1 1      17   -5   13 o    1.540000      0.3962000       1.274000 0.5345000       1.806000      0.5851000     -0.5314000      0.7924000
  1 1 1      17   -5   14 o    1.404000      0.4163000       1.400000 0.5668000       1.407000      0.6099000     -0.6860000E-02  0.8326000
  1 1 1      17   -5   15 o    15.76000      0.3397000       15.71000 0.4666000       15.81000      0.4940000     -0.1039000      0.6795000
  1 1 1      17   -5   16 o    10.47000      0.2752000       10.18000 0.3680000       10.76000      0.4094000     -0.5859000      0.5505000
  1 1 1      17   -5   17 o    2.019000      0.4942000       2.317000 0.6591000       1.721000      0.7366000      0.5962000      0.9884000
  1 1 1      17   -5   18 o    2.143000      0.4865000       2.104000 0.6626000       2.182000      0.7126000     -0.7868000E-01  0.9730000
  1 1 1      17   -5   19 o    3.585000      0.3987000       3.771000 0.4556000       3.398000      0.6544000      0.3732000      0.7974000
  1 1 1      17   -5   20 o    7.990000      0.1985000       8.015000 0.2555000       7.966000      0.3039000      0.4812000E-01  0.3971000
  1 1 1      17   -5   21 o    4.129000      0.2908000       4.225000 0.3859000       4.034000      0.4351000      0.1914000      0.5816000
  1 1 1      17   -5   22 o    4.574000      0.2195000       4.616000 0.3030000       4.532000      0.3175000      0.8406000E-01  0.4389000
  1 1 1      17   -5   23 o    5.197000      0.2103000       5.128000 0.3227000       5.266000      0.2697000     -0.1377000      0.4206000
  1 1 1      17   -5   24 o    4.929000      0.1750000       4.754000 0.2582000       5.103000      0.2364000     -0.3492000      0.3501000
  1 1 1      17   -5   25 o    5.374000      0.1875000       5.331000 0.2758000       5.418000      0.2541000     -0.8647000E-01  0.3750000
  1 1 1      17   -5   26 o    2.003000      0.4036000       1.659000 0.6194000       2.348000      0.5176000     -0.6890000      0.8073000
  1 1 1      17   -5   27 o    4.253000      0.2486000       4.468000 0.3496000       4.037000      0.3535000      0.4307000      0.4972000
  1 1 1      17   -5   28 o    1.942000      0.4435000       1.575000 0.6512000       2.309000      0.6023000     -0.7346000      0.8870000
  1 1 1      17   -5   29 o    2.704000      0.4297000       2.937000 0.6005000       2.471000      0.6147000      0.4662000      0.8594000
  1 1 1      17   -5   30 f    1.718000      0.4671000       1.565000 0.6685000       1.870000      0.6526000     -0.3047000      0.9343000
  1 1 1      17   -4    0 o    2.098000      0.4385000       1.610000 0.6619000       2.587000      0.5753000     -0.9766000      0.8770000
  1 1 1      17   -4    1 o    4.007000      0.2958000       3.972000 0.4632000       4.041000      0.3679000     -0.6858000E-01  0.5915000
  1 1 1      17   -4    2 o    8.620000      0.2393000       8.653000 0.3006000       8.587000      0.3725000      0.6567000E-01  0.4786000
  1 1 1      17   -4    3 o    2.284000      0.4384000       2.213000 0.6521000       2.356000      0.5860000     -0.1434000      0.8767000
  1 1 1      17   -4    4 o    6.497000      0.2123000       6.546000 0.2957000       6.448000      0.3047000      0.9827000E-01  0.4246000
  1 1 1      17   -4    5 o    6.168000      0.2081000       6.001000 0.3022000       6.334000      0.2861000     -0.3338000      0.4161000
  1 1 1      17   -4    6 o    1.312000      0.3985000       1.211000 0.5492000       1.413000      0.5776000     -0.2018000      0.7970000
  1 1 1      17   -4    7 o    4.885000      0.2277000       4.596000 0.3409000       5.174000      0.3020000     -0.5779000      0.4555000
  1 1 1      17   -4    8 o    13.23000      0.2147000       13.18000 0.3027000       13.29000      0.3046000     -0.1057000      0.4294000
  1 1 1      17   -4    9 o    9.642000      0.1839000       9.717000 0.2609000       9.568000      0.2593000      0.1492000      0.3679000
  1 1 1      17   -4   10 o    7.269000      0.1770000       7.348000 0.2506000       7.190000      0.2502000      0.1579000      0.3541000
  1 1 1      17   -4   11 o    6.055000      0.1808000       5.929000 0.2591000       6.181000      0.2523000     -0.2526000      0.3616000
  1 1 1      17   -4   12 o    8.585000      0.1716000       8.669000 0.2413000       8.501000      0.2440000      0.1678000      0.3432000
  1 1 1      17   -4   13 o    8.898000      0.2743000       8.447000 0.3675000       9.350000      0.4075000     -0.9029000      0.5487000
  1 1 1      17   -4   14 o    11.39000      0.2819000       11.16000 0.3832000       11.62000      0.4136000     -0.4599000      0.5639000
  1 1 1      17   -4   15 o    5.811000      0.2091000       5.772000 0.2665000       5.850000      0.3224000     -0.7813000E-01  0.4182000
  1 1 1      17   -4   16 o    6.751000      0.2351000       6.491000 0.2915000       7.011000      0.3689000     -0.5202000      0.4702000
  1 1 1      17   -4   17 o    4.021000      0.3413000       4.345000 0.4060000       3.698000      0.5488000      0.6464000      0.6827000
  1 1 1      17   -4   19 o    6.366000      0.7344000       6.366000 0.7344000                  ?              ?              ?              ?
  1 1 1      17   -4   20 o    4.910000      0.2365000       4.400000 0.3152000       5.421000      0.3528000      -1.021000      0.4731000
  1 1 1      17   -4   21 o    1.342000      0.3651000       1.119000 0.4767000       1.565000      0.5532000     -0.4465000      0.7303000
  1 1 1      17   -4   22 f    4.228000      0.1659000       4.129000 0.2338000       4.327000      0.2356000     -0.1983000      0.3319000
  1 1 1      17   -4   23 o    4.030000      0.1742000       4.321000 0.2507000       3.739000      0.2418000      0.5819000      0.3483000
  1 1 1      17   -4   24 o    3.597000      0.2147000       3.486000 0.3211000       3.707000      0.2850000     -0.2202000      0.4294000
  1 1 1      17   -4   25 o    5.790000      0.1686000       5.771000 0.2443000       5.808000      0.2324000     -0.3704000E-01  0.3372000
  1 1 1      17   -4   26 o    6.462000      0.1678000       6.677000 0.2418000       6.248000      0.2327000      0.4288000      0.3356000
  1 1 1      17   -4   27 o    3.073000      0.4517000       3.073000 0.4517000                  ?              ?              ?              ?
  1 1 1      17   -4   28 o    2.639000      0.3717000       2.247000 0.5958000       3.032000      0.4445000     -0.7850000      0.7434000
  1 1 1      17   -4   29 o    3.162000      0.4577000       2.479000 0.8372000       3.846000      0.3701000      -1.367000      0.9153000
  1 1 1      17   -4   30 o    2.322000      0.4509000       2.404000 0.6630000       2.240000      0.6112000      0.1636000      0.9017000
  1 1 1      17   -4   31 o    2.409000      0.4552000       2.246000 0.6912000       2.572000      0.5925000     -0.3259000      0.9104000
  1 1 1      17   -3    0 o    6.356000      0.2260000       6.467000 0.3387000       6.245000      0.2992000      0.2224000      0.4519000
  1 1 1      17   -3    1 o    2.907000      0.3925000       2.532000 0.6636000       3.282000      0.4192000     -0.7494000      0.7850000
  1 1 1      17   -3    2 o    10.13000      0.2045000       10.20000 0.3002000       10.06000      0.2776000      0.1359000      0.4089000
  1 1 1      17   -3    3 o    8.681000      0.1944000       8.472000 0.2869000       8.891000      0.2625000     -0.4194000      0.3889000
  1 1 1      17   -3    4 o    7.257000      0.1953000       7.111000 0.2946000       7.404000      0.2564000     -0.2930000      0.3905000
  1 1 1      17   -3    5 o    5.686000      0.2063000       5.635000 0.3140000       5.737000      0.2677000     -0.1023000      0.4126000
  1 1 1      17   -3    6 o    4.736000      0.2535000       4.548000 0.3404000       4.924000      0.3758000     -0.3759000      0.5070000
  1 1 1      17   -3    7 o    3.160000      0.3064000       3.313000 0.4065000       3.006000      0.4587000      0.3067000      0.6129000
  1 1 1      17   -3    8 o    3.115000      0.3264000       2.668000 0.5258000       3.562000      0.3869000     -0.8943000      0.6528000
  1 1 1      17   -3    9 o    4.966000      0.2070000       4.875000 0.3009000       5.057000      0.2842000     -0.1822000      0.4139000
  1 1 1      17   -3   10 o    7.359000      0.1762000       7.357000 0.2499000       7.360000      0.2485000     -0.2979000E-02  0.3524000
  1 1 1      17   -3   11 o    1.886000      0.5176000       1.557000 0.6554000       2.215000      0.8012000     -0.6578000       1.035000
  1 1 1      17   -3   12 o    1.346000      0.4369000       1.064000 0.5124000       1.629000      0.7078000     -0.5654000      0.8738000
  1 1 1      17   -3   13 o    14.66000      0.2197000       14.71000 0.3096000       14.62000      0.3117000      0.9309000E-01  0.4393000
  1 1 1      17   -3   14 o    1.484000      0.3793000       1.223000 0.5059000       1.746000      0.5652000     -0.5230000      0.7585000
  1 1 1      17   -3   15 o    10.51000      0.2510000       10.01000 0.3322000       11.00000      0.3764000     -0.9932000      0.5020000
  1 1 1      17   -3   16 o    7.996000      0.3040000       7.336000 0.3516000       8.656000      0.4960000      -1.320000      0.6079000
  1 1 1      17   -3   17 o    3.134000      0.4006000       3.114000 0.4864000       3.154000      0.6366000     -0.3982000E-01  0.8011000
  1 1 1      17   -3   18 o    5.736000      0.2593000       5.764000 0.3113000       5.708000      0.4147000      0.5625000E-01  0.5186000
  1 1 1      17   -3   19 o    4.624000      0.2684000       4.804000 0.3200000       4.444000      0.4310000      0.3601000      0.5369000
  1 1 1      17   -3   20 o    1.607000      0.4178000       1.674000 0.5593000       1.540000      0.6209000      0.1339000      0.8357000
  1 1 1      17   -3   21 o    1.228000      0.3312000       1.109000 0.4506000       1.347000      0.4854000     -0.2379000      0.6624000
  1 1 1      17   -3   22 o    3.235000      0.1830000       3.205000 0.2744000       3.266000      0.2421000     -0.6135000E-01  0.3660000
  1 1 1      17   -3   23 o    6.501000      0.1408000       6.354000 0.2023000       6.648000      0.1959000     -0.2945000      0.2817000
  1 1 1      17   -3   24 o    1.529000      0.3414000       1.934000 0.5014000       1.124000      0.4633000      0.8093000      0.6827000
  1 1 1      17   -3   25 o    9.283000      0.1570000       9.118000 0.2224000       9.448000      0.2216000     -0.3305000      0.3140000
  1 1 1      17   -3   26 o    6.250000      0.1613000       6.210000 0.2331000       6.291000      0.2229000     -0.8025000E-01  0.3225000
  1 1 1      17   -3   27 o    1.595000      0.5640000       1.595000 0.5640000                  ?              ?              ?              ?
  1 1 1      17   -3   28 o    1.809000      0.3494000       1.118000 0.5050000       2.500000      0.4831000      -1.382000      0.6989000
  1 1 1      17   -3   29 o    4.188000      0.3109000                  ?       ?   4.188000      0.3109000                  ?              ?
  1 1 1      17   -3   30 o    3.181000      0.3135000       3.439000 0.4422000       2.922000      0.4445000      0.5162000      0.6270000
  1 1 1      17   -3   31 o    2.909000      0.3878000       2.405000 0.6381000       3.413000      0.4410000      -1.008000      0.7757000
  1 1 1      17   -2    0 o    9.004000      0.2049000       9.334000 0.3033000       8.674000      0.2757000      0.6607000      0.4099000
  1 1 1      17   -2    1 o    12.09000      0.2960000                  ?       ?   12.09000      0.2960000                  ?              ?
  1 1 1      17   -2    2 o    10.50000      0.2025000       10.76000 0.3004000       10.25000      0.2717000      0.5097000      0.4051000
  1 1 1      17   -2    3 o    2.705000      0.3772000       2.639000 0.5855000       2.771000      0.4758000     -0.1328000      0.7545000
  1 1 1      17   -2    4 o    17.46000      0.2615000       17.25000 0.3711000       17.67000      0.3684000     -0.4118000      0.5229000
  1 1 1      17   -2    5 o    3.686000      0.2685000       3.676000 0.4092000       3.696000      0.3478000     -0.1963000E-01  0.5370000
  1 1 1      17   -2    6 o    7.948000      0.2250000       7.732000 0.3762000       8.165000      0.2470000     -0.4337000      0.4500000
  1 1 1      17   -2    7 o    2.104000      0.3902000       2.467000 0.5457000       1.740000      0.5578000      0.7267000      0.7803000
  1 1 1      17   -2    8 o    8.401000      0.1754000       8.464000 0.2573000       8.338000      0.2383000      0.1256000      0.3507000
  1 1 1      17   -2    9 o    7.498000      0.1711000       7.287000 0.2533000       7.710000      0.2300000     -0.4230000      0.3422000
  1 1 1      17   -2   10 o    11.01000      0.2665000       11.01000 0.3824000       11.01000      0.3713000     -0.3786000E-03  0.5330000
  1 1 1      17   -2   11 o    7.403000      0.1890000       7.518000 0.2426000       7.287000      0.2899000      0.2311000      0.3780000
  1 1 1      17   -2   12 o    6.102000      0.1698000       5.998000 0.2402000       6.206000      0.2400000     -0.2080000      0.3395000
  1 1 1      17   -2   13 o    11.86000      0.2540000       11.88000 0.3620000       11.85000      0.3564000      0.3354000E-01  0.5080000
  1 1 1      17   -2   14 o    3.851000      0.2424000       4.365000 0.3249000       3.338000      0.3598000       1.027000      0.4848000
  1 1 1      17   -2   15 o    5.394000      0.1657000       5.196000 0.2270000       5.593000      0.2414000     -0.3976000      0.3313000
  1 1 1      17   -2   16 o    7.007000      0.1729000       7.036000 0.2246000       6.979000      0.2628000      0.5730000E-01  0.3457000
  1 1 1      17   -2   17 o    2.126000      0.4504000       1.609000 0.5949000       2.643000      0.6763000      -1.034000      0.9008000
  1 1 1      17   -2   18 o    7.544000      0.2292000       7.342000 0.2875000       7.747000      0.3569000     -0.4057000      0.4583000
  1 1 1      17   -2   19 o    8.565000      0.2347000       8.755000 0.2789000       8.375000      0.3775000      0.3799000      0.4693000
  1 1 1      17   -2   20 o    6.055000      0.1713000       6.471000 0.2140000       5.640000      0.2675000      0.8310000      0.3426000
  1 1 1      17   -2   21 o    1.981000      0.2581000       1.675000 0.4024000       2.286000      0.3232000     -0.6109000      0.5161000
  1 1 1      17   -2   22 o    2.156000      0.2533000       1.945000 0.4065000       2.367000      0.3024000     -0.4223000      0.5067000
  1 1 1      17   -2   23 o    3.542000      0.1763000       3.564000 0.2516000       3.521000      0.2470000      0.4271000E-01  0.3526000
  1 1 1      17   -2   24 o    1.293000      0.3449000       1.270000 0.4980000       1.316000      0.4774000     -0.4649000E-01  0.6898000
  1 1 1      17   -2   25 o    4.883000      0.1599000       5.007000 0.2261000       4.758000      0.2260000      0.2496000      0.3197000
  1 1 1      17   -2   26 o    5.317000      0.2299000       5.471000 0.3987000       5.162000      0.2288000      0.3088000      0.4597000
  1 1 1      17   -2   27 o    6.090000      0.1870000       5.846000 0.2237000       6.334000      0.2996000     -0.4878000      0.3739000
  1 1 1      17   -2   28 o    1.294000      0.3557000       1.028000 0.4563000       1.559000      0.5458000     -0.5302000      0.7114000
  1 1 1      17   -2   29 o    1.775000      0.3524000       1.488000 0.4974000       2.062000      0.4994000     -0.5744000      0.7048000
  1 1 1      17   -2   30 o    5.267000      0.1772000       5.511000 0.2583000       5.024000      0.2425000      0.4872000      0.3543000
  1 1 1      17   -2   31 o    1.843000      0.4187000       1.653000 0.6174000       2.033000      0.5659000     -0.3800000      0.8374000
  1 1 1      17   -2   32 o    1.929000      0.4156000       1.680000 0.6119000       2.178000      0.5627000     -0.4977000      0.8313000
  1 1 1      17   -1    0 o    8.669000      0.2048000       8.697000 0.3020000       8.642000      0.2768000      0.5538000E-01  0.4096000
  1 1 1      17   -1    1 f    4.088000      0.3688000                  ?       ?   4.088000      0.3688000                  ?              ?
  1 1 1      17   -1    2 o    6.993000      0.2033000       6.798000 0.3037000       7.189000      0.2705000     -0.3914000      0.4067000
  1 1 1      17   -1    3 o    6.339000      0.2053000       6.473000 0.3055000       6.206000      0.2742000      0.2668000      0.4105000
  1 1 1      17   -1    4 o    11.94000      0.2073000       11.60000 0.2957000       12.27000      0.2907000     -0.6660000      0.4147000
  1 1 1      17   -1    5 o    8.575000      0.1886000       8.309000 0.2787000       8.841000      0.2542000     -0.5315000      0.3772000
  1 1 1      17   -1    6 o    7.495000      0.1846000       7.593000 0.2720000       7.398000      0.2497000      0.1954000      0.3693000
  1 1 1      17   -1    7 o    5.599000      0.2019000       5.199000 0.3142000       5.998000      0.2537000     -0.7983000      0.4039000
  1 1 1      17   -1    8 f    6.118000      0.2638000       6.156000 0.3847000       6.081000      0.3611000      0.7457000E-01  0.5276000
  1 1 1      17   -1    9 o    10.10000      0.2605000       10.11000 0.3778000       10.08000      0.3587000      0.3397000E-01  0.5210000
  1 1 1      17   -1   10 f    6.065000      0.1719000       6.265000 0.2562000       5.865000      0.2291000      0.4004000      0.3437000
  1 1 1      17   -1   11 o    5.735000      0.1680000       6.094000 0.2514000       5.376000      0.2230000      0.7174000      0.3360000
  1 1 1      17   -1   12 o    7.573000      0.2158000       7.196000 0.3096000       7.950000      0.3008000     -0.7543000      0.4316000
  1 1 1      17   -1   13 o    14.45000      0.2123000       14.97000 0.3113000       13.94000      0.2888000       1.032000      0.4247000
  1 1 1      17   -1   14 o    19.64000      0.2739000       19.88000 0.3928000       19.41000      0.3819000      0.4660000      0.5479000
  1 1 1      17   -1   15 o    4.809000      0.1588000       4.867000 0.2307000       4.750000      0.2183000      0.1176000      0.3176000
  1 1 1      17   -1   16 o    2.420000      0.2749000       2.086000 0.4361000       2.754000      0.3350000     -0.6681000      0.5499000
  1 1 1      17   -1   17 o    5.873000      0.1734000       5.598000 0.2344000       6.148000      0.2556000     -0.5505000      0.3468000
  1 1 1      17   -1   18 o    4.554000      0.7767000       4.191000 0.3349000       4.917000       1.517000     -0.7254000       1.553000
  1 1 1      17   -1   19 o    5.669000      0.2805000       5.669000 0.2805000                  ?              ?              ?              ?
  1 1 1      17   -1   20 o    9.953000      0.2412000       9.555000 0.3165000       10.35000      0.3641000     -0.7976000      0.4824000
  1 1 1      17   -1   21 o    5.463000      0.1810000       5.146000 0.3005000       5.780000      0.2019000     -0.6342000      0.3620000
  1 1 1      17   -1   22 o    9.046000      0.1466000       9.123000 0.2037000       8.968000      0.2109000      0.1557000      0.2932000
  1 1 1      17   -1   23 o    2.796000      0.2020000       2.888000 0.2980000       2.705000      0.2728000      0.1832000      0.4040000
  1 1 1      17   -1   24 o    5.349000      0.1934000       5.343000 0.3097000       5.356000      0.2317000     -0.1329000E-01  0.3868000
  1 1 1      17    0    0 o    4.391000      0.2445000       4.433000 0.3345000       4.349000      0.3566000      0.8334000E-01  0.4890000
  1 1 1      17    0    1 o    10.91000      0.2008000       10.54000 0.2822000       11.27000      0.2857000     -0.7293000      0.4016000
  1 1 1      17    0    2 o    11.22000      0.2013000       11.07000 0.2865000       11.37000      0.2830000     -0.3002000      0.4027000
  1 1 1      17    0    3 o    9.501000      0.1916000       9.710000 0.2757000       9.293000      0.2661000      0.4176000      0.3832000
  1 1 1      17    0    4 o    7.439000      0.1888000       7.030000 0.2778000       7.848000      0.2557000     -0.8178000      0.3776000
  1 1 1      17    0    5 o    12.44000      0.2090000       12.05000 0.2982000       12.83000      0.2929000     -0.7782000      0.4180000
  1 1 1      17    0    6 o    3.125000      0.3016000       3.776000 0.3774000       2.474000      0.4704000       1.303000      0.6031000
  1 1 1      17    0    7 o    11.16000      0.2753000       10.96000 0.3929000       11.35000      0.3857000     -0.3902000      0.5505000
  1 1 1      17    0    8 o    6.888000      0.2463000       7.123000 0.3598000       6.653000      0.3366000      0.4707000      0.4927000
  1 1 1      17    0    9 o    7.446000      0.1714000       7.201000 0.2550000       7.692000      0.2291000     -0.4910000      0.3428000
  1 1 1      17    0   10 o    2.394000      0.3409000       2.131000 0.5648000       2.656000      0.3817000     -0.5252000      0.6817000
  1 1 1      17    0   11 o    7.812000      0.2278000       7.509000 0.3405000       8.116000      0.3025000     -0.6070000      0.4555000
  1 1 1      17    0   12 o    11.61000      0.1865000       11.74000 0.2709000       11.48000      0.2564000      0.2593000      0.3730000
  1 1 1      17    0   13 o    6.860000      0.1535000       7.207000 0.2224000       6.514000      0.2117000      0.6929000      0.3071000
  1 1 1      17    0   14 o    19.14000      0.2677000       19.51000 0.3866000       18.77000      0.3703000      0.7437000      0.5353000
  1 1 1      17    0   15 o    7.278000      0.1430000       7.319000 0.2068000       7.238000      0.1977000      0.8109000E-01  0.2861000
  1 1 1      17    0   16 o    5.907000      0.1388000       5.667000 0.1969000       6.146000      0.1956000     -0.4787000      0.2776000
  1 1 1      17    0   17 o    11.34000      0.1736000       11.40000 0.2459000       11.27000      0.2451000      0.1301000      0.3472000
  1 1 1      17    0   18 o    13.67000      0.2219000       13.65000 0.2893000       13.68000      0.3364000     -0.3266000E-01  0.4437000
  1 1 1      17    0   19 o    7.039000      0.1873000       6.820000 0.2549000       7.259000      0.2744000     -0.4395000      0.3746000
  1 1 1      17    0   20 o    3.815000      0.1426000       3.828000 0.1920000       3.803000      0.2109000      0.2497000E-01  0.2852000
  1 1 1      17    0   21 o    1.571000      0.2413000       1.442000 0.3830000       1.700000      0.2937000     -0.2581000      0.4827000
  1 1 1      17    1    0 f    7.599000      0.1954000       7.745000 0.2765000       7.453000      0.2761000      0.2920000      0.3907000
  1 1 1      17    1    1 o    9.208000      0.1947000       9.298000 0.2738000       9.117000      0.2768000      0.1812000      0.3894000
  1 1 1      17    1    2 o    2.493000      0.3862000       2.493000 0.5553000       2.493000      0.5368000      0.1402000E-03  0.7724000
  1 1 1      17    1    3 o    2.807000      0.3384000       3.138000 0.4056000       2.476000      0.5419000      0.6623000      0.6769000
  1 1 1      17    1    4 o    3.103000      0.2989000       2.687000 0.4681000       3.518000      0.3719000     -0.8309000      0.5978000
  1 1 1      17    1    5 o    9.206000      0.1825000       9.037000 0.2570000       9.374000      0.2592000     -0.3371000      0.3651000
  1 1 1      17    1    6 o    8.226000      0.2623000       8.190000 0.3771000       8.261000      0.3646000     -0.7108000E-01  0.5246000
  1 1 1      17    1    7 o    9.315000      0.2627000       9.328000 0.3812000       9.302000      0.3616000      0.2606000E-01  0.5254000
  1 1 1      17    1    8 o    9.667000      0.1829000       9.674000 0.2688000       9.659000      0.2481000      0.1450000E-01  0.3658000
  1 1 1      17    1    9 o    2.820000      0.3062000       3.058000 0.4329000       2.581000      0.4331000      0.4765000      0.6124000
  1 1 1      17    1   10 o    10.91000      0.2578000       10.87000 0.3746000       10.95000      0.3544000     -0.7399000E-01  0.5157000
  1 1 1      17    1   11 o    5.013000      0.1843000       5.223000 0.2709000       4.802000      0.2499000      0.4204000      0.3686000
  1 1 1      17    1   12 f    1.599000      0.3401000       1.199000 0.5076000       1.999000      0.4529000     -0.8001000      0.6803000
  1 1 1      17    1   13 o    6.099000      0.1581000       6.254000 0.2363000       5.944000      0.2100000      0.3109000      0.3161000
  1 1 1      17    1   14 o    14.43000      0.2104000       14.86000 0.3069000       14.00000      0.2878000      0.8579000      0.4208000
  1 1 1      17    1   15 o    12.66000      0.1878000       12.97000 0.2723000       12.34000      0.2588000      0.6283000      0.3756000
  1 1 1      17    1   16 o    3.038000      0.1847000       3.040000 0.2783000       3.035000      0.2428000      0.5247000E-02  0.3693000
  1 1 1      17    1   17 o    5.976000      0.1284000       5.841000 0.1823000       6.112000      0.1808000     -0.2719000      0.2568000
  1 1 1      17    1   18 o    4.583000      0.1820000       4.877000 0.2349000       4.288000      0.2782000      0.5885000      0.3641000
  1 1 1      17    1   19 o    12.08000      0.2519000       12.12000 0.3589000       12.04000      0.3535000      0.8264000E-01  0.5038000
  1 1 1      17    2    0 o    8.280000      0.1947000       8.024000 0.2751000       8.536000      0.2755000     -0.5125000      0.3893000
  1 1 1      17    2    1 o    8.036000      0.1933000       7.988000 0.2727000       8.083000      0.2739000     -0.9512000E-01  0.3865000
  1 1 1      17    2    2 o    8.970000      0.1902000       8.982000 0.2675000       8.958000      0.2704000      0.2311000E-01  0.3804000
  1 1 1      17    2    3 o    7.900000      0.1862000       7.875000 0.2654000       7.925000      0.2612000     -0.4982000E-01  0.3724000
  1 1 1      17    2    4 o    12.11000      0.2032000       12.05000 0.2871000       12.17000      0.2875000     -0.1173000      0.4063000
  1 1 1      17    2    5 o    2.702000      0.3248000       2.924000 0.4172000       2.479000      0.4978000      0.4449000      0.6495000
  1 1 1      17    2    6 o    9.014000      0.2598000       8.926000 0.3736000       9.102000      0.3611000     -0.1752000      0.5196000
  1 1 1      17    2    7 o    10.27000      0.1841000       10.11000 0.2606000       10.43000      0.2602000     -0.3218000      0.3683000
  1 1 1      17    2    8 o    5.712000      0.1771000       5.692000 0.2510000       5.732000      0.2498000     -0.4037000E-01  0.3541000
  1 1 1      17    2    9 o    5.147000      0.2325000       5.162000 0.3080000       5.133000      0.3484000      0.2881000E-01  0.4650000
  1 1 1      17    2   10 o    4.762000      0.1792000       4.829000 0.2468000       4.695000      0.2600000      0.1334000      0.3585000
  1 1 1      17    2   11 o    6.308000      0.1691000       6.301000 0.2514000       6.315000      0.2262000     -0.1351000E-01  0.3382000
  1 1 1      17    2   12 o    15.29000      0.2253000       15.55000 0.3267000       15.03000      0.3103000      0.5187000      0.4506000
  1 1 1      17    2   13 o    6.905000      0.1565000       6.927000 0.2317000       6.883000      0.2105000      0.4392000E-01  0.3131000
  1 1 1      17    2   14 o    8.883000      0.1573000       8.955000 0.2294000       8.811000      0.2152000      0.1440000      0.3146000
  1 1 1      17    2   15 o    10.53000      0.1662000       10.62000 0.2396000       10.44000      0.2303000      0.1888000      0.3324000
  1 1 1      17    2   16 o    2.547000      0.2274000       3.181000 0.2648000       1.913000      0.3698000       1.269000      0.4548000
  1 1 1      17    2   17 o    13.30000      0.1887000       13.43000 0.2707000       13.16000      0.2629000      0.2766000      0.3774000
  1 1 1      17    2   18 o    12.54000      0.2207000       12.20000 0.3567000       12.88000      0.2601000     -0.6817000      0.4415000
  1 1 1      17    3    0 o    5.008000      0.3313000       5.008000 0.3313000                  ?              ?              ?              ?
  1 1 1      17    3    1 o    1.889000      0.4228000       1.691000 0.5957000       2.087000      0.6001000     -0.3960000      0.8455000
  1 1 1      17    3    2 o    5.557000      0.2933000                  ?       ?   5.557000      0.2933000                  ?              ?
  1 1 1      17    3    3 o    8.581000      0.1869000       8.726000 0.2660000       8.437000      0.2627000      0.2900000      0.3739000
  1 1 1      17    3    4 o    15.16000      0.2329000       15.32000 0.3320000       15.00000      0.3266000      0.3219000      0.4658000
  1 1 1      17    3    5 o    3.514000      0.3949000       3.338000 0.5851000       3.689000      0.5305000     -0.3513000      0.7898000
  1 1 1      17    3    6 o    11.30000      0.2787000       11.16000 0.3976000       11.43000      0.3906000     -0.2658000      0.5573000
  1 1 1      17    3    7 o    11.02000      0.1881000       10.77000 0.2637000       11.26000      0.2684000     -0.4887000      0.3762000
  1 1 1      17    3    8 o    7.619000      0.2348000       7.843000 0.3296000       7.396000      0.3345000      0.4471000      0.4696000
  1 1 1      17    3    9 o    8.158000      0.2263000       7.870000 0.3089000       8.445000      0.3308000     -0.5753000      0.4526000
  1 1 1      17    3   10 o    4.557000      0.1841000       4.764000 0.2449000       4.349000      0.2750000      0.4153000      0.3683000
  1 1 1      17    3   11 o    8.168000      0.1609000       8.409000 0.2278000       7.926000      0.2274000      0.4837000      0.3218000
  1 1 1      17    3   12 o    3.559000      0.1980000       3.445000 0.2870000       3.672000      0.2728000     -0.2273000      0.3960000
  1 1 1      17    3   13 o    5.164000      0.1553000       5.173000 0.2170000       5.155000      0.2223000      0.1793000E-01  0.3106000
  1 1 1      17    3   14 o    8.510000      0.1551000       8.608000 0.2266000       8.413000      0.2117000      0.1944000      0.3102000
  1 1 1      17    3   15 o    2.226000      0.2797000       2.486000 0.3917000       1.966000      0.3992000      0.5204000      0.5593000
  1 1 1      17    3   16 o    7.330000      0.1379000       7.394000 0.2024000       7.266000      0.1873000      0.1280000      0.2758000
  1 1 1      17    3   17 o    12.79000      0.1826000       12.79000 0.2609000       12.78000      0.2556000      0.4576000E-02  0.3652000
  1 1 1      17    4    0 o    14.38000      0.3280000       14.38000 0.3280000                  ?              ?              ?              ?
  1 1 1      17    4    1 o    2.592000      0.3865000       2.839000 0.5050000       2.345000      0.5852000      0.4941000      0.7730000
  1 1 1      17    4    2 o    11.77000      0.2920000                  ?       ?   11.77000      0.2920000                  ?              ?
  1 1 1      17    4    3 o    3.044000      0.3202000       3.116000 0.4526000       2.972000      0.4530000      0.1436000      0.6404000
  1 1 1      17    4    4 o    8.957000      0.1860000       9.020000 0.2663000       8.894000      0.2597000      0.1259000      0.3719000
  1 1 1      17    4    6 o    6.825000      0.1819000       6.849000 0.2556000       6.802000      0.2590000      0.4706000E-01  0.3639000
  1 1 1      17    4    7 o    4.761000      0.1979000       4.455000 0.2893000       5.068000      0.2703000     -0.6124000      0.3959000
  1 1 1      17    4    8 f    7.243000      0.2363000       6.916000 0.3262000       7.570000      0.3419000     -0.6537000      0.4725000
  1 1 1      17    4    9 o    10.62000      0.1827000       10.59000 0.2566000       10.66000      0.2602000     -0.6645000E-01  0.3654000
  1 1 1      17    4   10 o    5.461000      0.1724000       5.397000 0.2404000       5.524000      0.2472000     -0.1262000      0.3449000
  1 1 1      17    4   11 o    3.360000      0.2281000       3.764000 0.2738000       2.956000      0.3649000      0.8080000      0.4562000
  1 1 1      17    4   12 o    4.323000      0.1789000       4.502000 0.2479000       4.143000      0.2580000      0.3591000      0.3578000
  1 1 1      17    4   13 o    1.318000      0.3518000       1.335000 0.4957000       1.300000      0.4994000      0.3523000E-01  0.7037000
  1 1 1      17    4   14 o    1.821000      0.3146000       1.852000 0.4257000       1.790000      0.4632000      0.6140000E-01  0.6291000
  1 1 1      17    4   15 o    5.752000      0.1394000       5.796000 0.1989000       5.708000      0.1954000      0.8825000E-01  0.2788000
  1 1 1      17    4   16 o    12.70000      0.2270000       12.66000 0.3725000       12.75000      0.2593000     -0.9440000E-01  0.4539000
  1 1 1      17    4   17 o    9.732000      0.1473000       9.350000 0.2063000       10.11000      0.2103000     -0.7642000      0.2946000
  1 1 1      17    5    0 o    11.76000      0.2105000       11.89000 0.2979000       11.63000      0.2976000      0.2678000      0.4211000
  1 1 1      17    5    1 o    6.496000      0.2038000       6.611000 0.2850000       6.381000      0.2914000      0.2297000      0.4076000
  1 1 1      17    5    2 o    8.311000      0.1917000       8.305000 0.2758000       8.316000      0.2663000     -0.1126000E-01  0.3834000
  1 1 1      17    5    3 o    2.384000      0.3928000       2.311000 0.5735000       2.457000      0.5370000     -0.1465000      0.7857000
  1 1 1      17    5    4 o    17.02000      0.2538000       17.02000 0.3597000       17.03000      0.3582000     -0.1093000E-01  0.5076000
  1 1 1      17    5    5 o    4.175000      0.3349000       4.540000 0.4541000       3.809000      0.4925000      0.7313000      0.6699000
  1 1 1      17    5    6 o    5.432000      0.1933000       5.362000 0.2732000       5.503000      0.2737000     -0.1412000      0.3867000
  1 1 1      17    5    7 o    5.379000      0.1888000       5.301000 0.2683000       5.457000      0.2659000     -0.1557000      0.3777000
  1 1 1      17    5    8 o    4.799000      0.2803000       4.423000 0.4055000       5.175000      0.3873000     -0.7516000      0.5607000
  1 1 1      17    5    9 o    2.692000      0.3148000       3.139000 0.3518000       2.246000      0.5222000      0.8932000      0.6296000
  1 1 1      17    5   10 o    8.161000      0.1654000       8.037000 0.2311000       8.285000      0.2367000     -0.2481000      0.3308000
  1 1 1      17    5   11 o    11.31000      0.1823000       11.09000 0.2547000       11.54000      0.2610000     -0.4483000      0.3647000
  1 1 1      17    5   12 o    5.465000      0.1630000       5.453000 0.2315000       5.476000      0.2295000     -0.2309000E-01  0.3260000
  1 1 1      17    5   13 o    8.497000      0.1562000       8.633000 0.2228000       8.362000      0.2189000      0.2713000      0.3123000
  1 1 1      17    5   14 o    7.157000      0.1462000       7.155000 0.2065000       7.158000      0.2072000     -0.2460000E-02  0.2925000
  1 1 1      17    5   15 o    6.869000      0.1386000       7.108000 0.1990000       6.630000      0.1931000      0.4778000      0.2773000
  1 1 1      17    5   16 f    12.86000      0.1850000       13.00000 0.2647000       12.73000      0.2586000      0.2766000      0.3701000
  1 1 1      17    5   17 o    7.052000      0.1236000       6.999000 0.1788000       7.104000      0.1706000     -0.1050000      0.2471000
  1 1 1      17    6    0 o    8.580000      0.1955000       8.673000 0.2776000       8.487000      0.2754000      0.1859000      0.3911000
  1 1 1      17    6    1 o    14.92000      0.2353000       14.96000 0.3336000       14.88000      0.3319000      0.7823000E-01  0.4706000
  1 1 1      17    6    2 o    7.027000      0.1964000       7.141000 0.2791000       6.913000      0.2764000      0.2282000      0.3928000
  1 1 1      17    6    3 o    2.492000      0.3981000       2.425000 0.5728000       2.560000      0.5530000     -0.1355000      0.7962000
  1 1 1      17    6    4 o    5.032000      0.2165000       4.950000 0.3136000       5.114000      0.2986000     -0.1639000      0.4331000
  1 1 1      17    6    5 o    14.62000      0.3204000       14.52000 0.4548000       14.71000      0.4515000     -0.1951000      0.6408000
  1 1 1      17    6    6 o    6.080000      0.1885000       6.078000 0.2697000       6.082000      0.2635000     -0.4602000E-02  0.3770000
  1 1 1      17    6    7 o    3.072000      0.2856000       3.221000 0.3899000       2.923000      0.4174000      0.2980000      0.5712000
  1 1 1      17    6    8 o    8.956000      0.2471000       9.062000 0.3432000       8.851000      0.3557000      0.2115000      0.4943000
  1 1 1      17    6    9 o    6.919000      0.1727000       7.118000 0.2435000       6.721000      0.2450000      0.3965000      0.3454000
  1 1 1      17    6   10 f    6.470000      0.1704000       6.387000 0.2392000       6.554000      0.2428000     -0.1671000      0.3408000
  1 1 1      17    6   11 o    7.862000      0.1621000       7.981000 0.2297000       7.742000      0.2288000      0.2389000      0.3242000
  1 1 1      17    6   12 o    4.710000      0.1767000       4.764000 0.2511000       4.655000      0.2487000      0.1092000      0.3534000
  1 1 1      17    6   13 o    8.080000      0.1552000       8.005000 0.2211000       8.154000      0.2177000     -0.1497000      0.3103000
  1 1 1      17    6   14 f    10.46000      0.1672000       10.46000 0.2368000       10.46000      0.2361000     -0.4328000E-02  0.3344000
  1 1 1      17    6   15 o    19.55000      0.2705000       19.64000 0.3844000       19.47000      0.3806000      0.1726000      0.5409000
  1 1 1      17    6   16 o    3.355000      0.1667000       3.392000 0.2489000       3.318000      0.2216000      0.7426000E-01  0.3333000
  1 1 1      17    6   17 o    3.011000      0.1555000       3.153000 0.2315000       2.869000      0.2078000      0.2842000      0.3111000
  1 1 1      17    6   18 o    9.287000      0.1763000       9.393000 0.2935000       9.180000      0.1954000      0.2133000      0.3526000
  1 1 1      17    6   33 o    3.841000      0.2533000       3.726000 0.3551000       3.956000      0.3614000     -0.2301000      0.5067000
  1 1 1      17    6   34 f    2.145000      0.4144000       1.950000 0.5844000       2.340000      0.5878000     -0.3897000      0.8288000
  1 1 1      17    7    0 o    6.520000      0.2572000       6.306000 0.4194000       6.733000      0.2978000     -0.4275000      0.5144000
  1 1 1      17    7    1 o    3.013000      0.4917000       3.013000 0.4917000                  ?              ?              ?              ?
  1 1 1      17    7    2 o    6.010000      0.2107000       5.784000 0.3008000       6.236000      0.2952000     -0.4527000      0.4214000
  1 1 1      17    7    3 f    5.323000      0.2966000                  ?       ?   5.323000      0.2966000                  ?              ?
  1 1 1      17    7    4 o    3.727000      0.2744000       3.423000 0.4224000       4.031000      0.3502000     -0.6087000      0.5487000
  1 1 1      17    7    5 o    3.007000      0.4314000       2.989000 0.6379000       3.024000      0.5811000     -0.3559000E-01  0.8629000
  1 1 1      17    7    6 o    4.149000      0.2349000       4.090000 0.3354000       4.208000      0.3290000     -0.1185000      0.4699000
  1 1 1      17    7    7 o    2.327000      0.3749000       2.656000 0.4848000       1.997000      0.5719000      0.6592000      0.7497000
  1 1 1      17    7    8 o    9.057000      0.2502000       9.022000 0.3468000       9.093000      0.3608000     -0.7122000E-01  0.5005000
  1 1 1      17    7    9 f    6.718000      0.2448000       6.736000 0.3324000       6.699000      0.3595000      0.3712000E-01  0.4896000
  1 1 1      17    7   10 o    7.427000      0.1675000       7.190000 0.2365000       7.664000      0.2371000     -0.4747000      0.3349000
  1 1 1      17    7   11 o    2.362000      0.3276000       2.261000 0.4900000       2.464000      0.4349000     -0.2031000      0.6552000
  1 1 1      17    7   12 o    6.431000      0.2090000       6.428000 0.2288000       6.435000      0.3499000     -0.6833000E-02  0.4180000
  1 1 1      17    7   13 o    5.947000      0.1564000       6.342000 0.2273000       5.553000      0.2150000      0.7884000      0.3128000
  1 1 1      17    7   14 o    8.741000      0.1544000       8.657000 0.2208000       8.824000      0.2159000     -0.1665000      0.3089000
  1 1 1      17    7   15 o    9.863000      0.1580000       9.847000 0.2244000       9.879000      0.2226000     -0.3174000E-01  0.3161000
  1 1 1      17    7   16 o    7.475000      0.1357000       7.602000 0.1938000       7.347000      0.1901000      0.2557000      0.2715000
  1 1 1      17    7   17 o    6.519000      0.1233000       6.560000 0.1771000       6.477000      0.1715000      0.8233000E-01  0.2466000
  1 1 1      17    7   18 o    6.768000      0.1261000       6.786000 0.1685000       6.749000      0.1876000      0.3782000E-01  0.2522000
  1 1 1      17    7   19 o    7.640000      0.1743000       8.043000 0.2188000       7.237000      0.2715000      0.8063000      0.3487000
  1 1 1      17    7   20 o    2.505000      0.2931000       2.045000 0.4836000       2.965000      0.3314000     -0.9200000      0.5863000
  1 1 1      17    7   30 o    5.183000      0.1667000       4.725000 0.2388000       5.641000      0.2327000     -0.9160000      0.3334000
  1 1 1      17    7   31 o    1.621000      0.4112000       1.397000 0.5571000       1.845000      0.6049000     -0.4480000      0.8223000
  1 1 1      17    7   32 f    4.933000      0.2376000       4.506000 0.3616000       5.359000      0.3083000     -0.8526000      0.4751000
  1 1 1      17    7   33 o    1.727000      0.4520000       1.880000 0.6456000       1.574000      0.6328000      0.3061000      0.9040000
  1 1 1      17    7   34 o    1.714000      0.4420000       2.066000 0.6538000       1.362000      0.5951000      0.7034000      0.8841000
  1 1 1      17    8    0 o    9.256000      0.1984000       9.160000 0.2795000       9.351000      0.2818000     -0.1913000      0.3969000
  1 1 1      17    8    1 o    9.057000      0.2816000       9.057000 0.2816000                  ?              ?              ?              ?
  1 1 1      17    8    2 o    7.024000      0.1974000       6.995000 0.2843000       7.053000      0.2738000     -0.5882000E-01  0.3947000
  1 1 1      17    8    3 o    6.150000      0.2915000                  ?       ?   6.150000      0.2915000                  ?              ?
  1 1 1      17    8    4 o    1.951000      0.4276000       1.854000 0.6231000       2.047000      0.5857000     -0.1928000      0.8551000
  1 1 1      17    8    5 o    7.771000      0.2601000       8.309000 0.3755000       7.233000      0.3601000       1.076000      0.5202000
  1 1 1      17    8    6 o    9.052000      0.2562000       9.039000 0.3690000       9.064000      0.3555000     -0.2540000E-01  0.5124000
  1 1 1      17    8    7 o    3.907000      0.2429000       3.915000 0.3458000       3.899000      0.3411000      0.1605000E-01  0.4858000
  1 1 1      17    8    8 o    5.792000      0.1848000       5.677000 0.2668000       5.907000      0.2558000     -0.2306000      0.3696000
  1 1 1      17    8    9 o    11.16000      0.2698000       11.19000 0.3780000       11.13000      0.3850000      0.5847000E-01  0.5395000
  1 1 1      17    8   10 f    4.721000      0.1987000       4.854000 0.2781000       4.588000      0.2839000      0.2655000      0.3974000
  1 1 1      17    8   11 o    5.886000      0.1691000       5.872000 0.2378000       5.901000      0.2405000     -0.2856000E-01  0.3382000
  1 1 1      17    8   12 f    1.274000      0.3347000       1.719000 0.5401000      0.8280000      0.3955000      0.8914000      0.6694000
  1 1 1      17    8   13 o    5.795000      0.1540000       5.859000 0.2227000       5.732000      0.2128000      0.1266000      0.3080000
  1 1 1      17    8   14 o    7.948000      0.1495000       7.817000 0.2106000       8.079000      0.2124000     -0.2619000      0.2991000
  1 1 1      17    8   15 o    5.050000      0.1466000       4.916000 0.2120000       5.184000      0.2026000     -0.2682000      0.2932000
  1 1 1      17    8   16 o    9.378000      0.1522000       9.303000 0.2130000       9.454000      0.2175000     -0.1514000      0.3044000
  1 1 1      17    8   17 o    11.90000      0.1737000       11.93000 0.2447000       11.88000      0.2466000      0.4670000E-01  0.3474000
  1 1 1      17    8   18 o    9.908000      0.1966000       10.03000 0.2146000       9.790000      0.3295000      0.2361000      0.3932000
  1 1 1      17    8   19 o    8.928000      0.1906000       8.987000 0.2375000       8.869000      0.2981000      0.1183000      0.3812000
  1 1 1      17    8   20 o    6.582000      0.1679000       6.318000 0.2101000       6.846000      0.2618000     -0.5284000      0.3357000
  1 1 1      17    8   21 o    10.36000      0.1978000       9.996000 0.2147000       10.71000      0.3324000     -0.7176000      0.3957000
  1 1 1      17    8   22 o    8.872000      0.1398000       8.908000 0.1952000       8.835000      0.2001000      0.7376000E-01  0.2796000
  1 1 1      17    8   23 o    7.559000      0.1329000       7.526000 0.1832000       7.592000      0.1926000     -0.6642000E-01  0.2658000
  1 1 1      17    8   24 o    5.034000      0.1334000       4.941000 0.1848000       5.126000      0.1925000     -0.1845000      0.2669000
  1 1 1      17    8   25 o    4.014000      0.1567000       4.327000 0.2025000       3.701000      0.2393000      0.6267000      0.3135000
  1 1 1      17    8   26 o    8.158000      0.1374000       8.086000 0.1868000       8.229000      0.2016000     -0.1429000      0.2748000
  1 1 1      17    8   27 o    3.317000      0.1678000       3.572000 0.1984000       3.062000      0.2706000      0.5101000      0.3355000
  1 1 1      17    8   28 o    1.897000      0.3146000       2.088000 0.4102000       1.707000      0.4771000      0.3816000      0.6292000
  1 1 1      17    8   29 o   0.9866000      0.3111000       1.162000 0.4841000      0.8111000      0.3908000      0.3510000      0.6222000
  1 1 1      17    8   30 f    2.146000      0.3991000       2.080000 0.5569000       2.211000      0.5718000     -0.1313000      0.7982000
  1 1 1      17    8   31 o    2.176000      0.4505000       1.825000 0.6557000       2.527000      0.6180000     -0.7019000      0.9011000
  1 1 1      17    8   32 o    3.989000      0.3514000       3.697000 0.5528000       4.282000      0.4340000     -0.5855000      0.7028000
  1 1 1      17    8   33 o    3.252000      0.4020000       3.534000 0.5095000       2.969000      0.6219000      0.5649000      0.8040000
  1 1 1      17    8   34 o    3.050000      0.4184000       3.086000 0.5977000       3.014000      0.5856000      0.7167000E-01  0.8368000
  1 1 1      17    9    0 o    7.995000      0.2025000       7.734000 0.2867000       8.256000      0.2861000     -0.5226000      0.4050000
  1 1 1      17    9    1 o    1.294000      0.4028000       1.388000 0.5929000       1.200000      0.5452000      0.1879000      0.8055000
  1 1 1      17    9    2 o    3.718000      0.2937000       3.527000 0.4428000       3.910000      0.3859000     -0.3830000      0.5874000
  1 1 1      17    9    3 o    5.117000      0.2381000       5.131000 0.3411000       5.103000      0.3324000      0.2825000E-01  0.4762000
  1 1 1      17    9    4 o    4.077000      0.2513000       4.331000 0.3447000       3.822000      0.3659000      0.5091000      0.5027000
  1 1 1      17    9    5 o    13.45000      0.2173000       13.70000 0.3118000       13.20000      0.3029000      0.4992000      0.4347000
  1 1 1      17    9    6 o    5.438000      0.2822000       5.402000 0.4193000       5.473000      0.3778000     -0.7109000E-01  0.5644000
  1 1 1      17    9    8 o    2.886000      0.3184000       3.061000 0.4292000       2.711000      0.4705000      0.3497000      0.6369000
  1 1 1      17    9    9 o    8.153000      0.1719000       8.075000 0.2425000       8.231000      0.2437000     -0.1554000      0.3438000
  1 1 1      17    9   10 o    4.094000      0.3248000       4.425000 0.4013000       3.763000      0.5108000      0.6618000      0.6496000
  1 1 1      17    9   11 o    8.415000      0.1664000       8.278000 0.2351000       8.552000      0.2355000     -0.2736000      0.3328000
  1 1 1      17    9   12 o    8.254000      0.1600000       8.222000 0.2283000       8.287000      0.2242000     -0.6521000E-01  0.3200000
  1 1 1      17    9   13 o    6.230000      0.1566000       6.145000 0.2283000       6.315000      0.2144000     -0.1703000      0.3132000
  1 1 1      17    9   14 o    8.310000      0.1524000       8.347000 0.2177000       8.272000      0.2133000      0.7501000E-01  0.3048000
  1 1 1      17    9   15 f    5.602000      0.1374000       5.794000 0.1982000       5.410000      0.1904000      0.3841000      0.2748000
  1 1 1      17    9   16 o    10.41000      0.1608000       10.70000 0.2312000       10.11000      0.2235000      0.5971000      0.3216000
  1 1 1      17    9   17 o    4.721000      0.1300000       4.801000 0.1775000       4.641000      0.1899000      0.1602000      0.2600000
  1 1 1      17    9   18 o    5.399000      0.1783000       5.249000 0.2028000       5.549000      0.2934000     -0.2998000      0.3567000
  1 1 1      17    9   19 o    7.978000      0.1916000       7.563000 0.2339000       8.393000      0.3036000     -0.8295000      0.3833000
  1 1 1      17    9   20 o    1.676000      0.3928000       1.362000 0.5064000       1.990000      0.6006000     -0.6280000      0.7856000
  1 1 1      17    9   21 o    10.35000      0.1633000       10.14000 0.2220000       10.57000      0.2397000     -0.4325000      0.3267000
  1 1 1      17    9   22 o    16.07000      0.2237000       16.18000 0.3166000       15.95000      0.3161000      0.2219000      0.4474000
  1 1 1      17    9   23 o    4.028000      0.1535000       4.116000 0.2042000       3.939000      0.2293000      0.1771000      0.3070000
  1 1 1      17    9   24 o    9.367000      0.1484000       9.306000 0.2072000       9.428000      0.2124000     -0.1221000      0.2967000
  1 1 1      17    9   25 o    3.662000      0.1647000       3.670000 0.2142000       3.655000      0.2503000      0.1490000E-01  0.3295000
  1 1 1      17    9   26 o    1.832000      0.3066000       1.578000 0.4403000       2.086000      0.4268000     -0.5081000      0.6133000
  1 1 1      17    9   27 o    2.893000      0.2293000       3.223000 0.2938000       2.562000      0.3522000      0.6606000      0.4587000
  1 1 1      17    9   28 o    5.100000      0.1530000       5.057000 0.2094000       5.144000      0.2232000     -0.8679000E-01  0.3061000
  1 1 1      17    9   29 o    3.460000      0.2426000       3.492000 0.3329000       3.427000      0.3530000      0.6446000E-01  0.4852000
  1 1 1      17    9   30 o    1.767000      0.6222000       1.767000 0.6222000                  ?              ?              ?              ?
  1 1 1      17    9   31 o    2.625000      0.4376000       2.697000 0.6094000       2.553000      0.6282000      0.1442000      0.8753000
  1 1 1      17    9   32 o    3.584000      0.3885000       3.219000 0.6140000       3.949000      0.4762000     -0.7303000      0.7770000
  1 1 1      17    9   33 o    4.361000      0.3330000       4.207000 0.4904000       4.515000      0.4506000     -0.3087000      0.6660000
  1 1 1      17    9   34 f    3.531000      0.3990000       3.234000 0.6093000       3.827000      0.5152000     -0.5929000      0.7979000
  1 1 1      17   10    0 o    13.16000      0.2233000       13.03000 0.3119000       13.29000      0.3198000     -0.2626000      0.4467000
  1 1 1      17   10    1 o    7.670000      0.2006000       7.528000 0.2846000       7.813000      0.2828000     -0.2853000      0.4012000
  1 1 1      17   10    2 o    5.266000      0.2311000       5.470000 0.3155000       5.061000      0.3377000      0.4091000      0.4621000
  1 1 1      17   10    3 o    7.131000      0.2018000       7.026000 0.2921000       7.236000      0.2784000     -0.2099000      0.4036000
  1 1 1      17   10    4 o    12.62000      0.2147000       12.58000 0.3039000       12.66000      0.3033000     -0.8200000E-01  0.4294000
  1 1 1      17   10    5 o    3.186000      0.3218000       2.803000 0.5252000       3.568000      0.3718000     -0.7646000      0.6435000
  1 1 1      17   10    6 o    7.940000      0.1836000       7.982000 0.2622000       7.898000      0.2570000      0.8415000E-01  0.3672000
  1 1 1      17   10    8 o    1.979000      0.4835000       2.092000 0.7242000       1.865000      0.6408000      0.2266000      0.9670000
  1 1 1      17   10    9 o    8.101000      0.1758000       8.354000 0.2503000       7.849000      0.2470000      0.5046000      0.3517000
  1 1 1      17   10   10 o    3.779000      0.2314000       3.962000 0.3345000       3.597000      0.3200000      0.3654000      0.4629000
  1 1 1      17   10   11 o    8.969000      0.2497000       8.747000 0.3378000       9.191000      0.3677000     -0.4443000      0.4993000
  1 1 1      17   10   12 o    9.236000      0.2480000       9.382000 0.3368000       9.089000      0.3641000      0.2934000      0.4960000
  1 1 1      17   10   13 o    5.306000      0.1625000       5.124000 0.2398000       5.488000      0.2194000     -0.3638000      0.3250000
  1 1 1      17   10   14 o    8.244000      0.1521000       8.436000 0.2176000       8.053000      0.2125000      0.3836000      0.3041000
  1 1 1      17   10   15 o    15.52000      0.2206000       15.53000 0.3121000       15.50000      0.3120000      0.2805000E-01  0.4413000
  1 1 1      17   10   16 o    7.759000      0.1396000       7.858000 0.1949000       7.659000      0.2000000      0.1997000      0.2792000
  1 1 1      17   10   17 o    9.806000      0.1610000       9.985000 0.2218000       9.627000      0.2333000      0.3582000      0.3220000
  1 1 1      17   10   18 o    5.622000      0.1932000       5.605000 0.2203000       5.638000      0.3174000     -0.3267000E-01  0.3863000
  1 1 1      17   10   19 o    7.611000      0.1989000       7.534000 0.2464000       7.687000      0.3124000     -0.1532000      0.3979000
  1 1 1      17   10   20 o    10.32000      0.2026000       10.32000 0.2599000       10.32000      0.3109000     -0.2854000E-02  0.4052000
  1 1 1      17   10   21 o    13.51000      0.2016000       13.69000 0.2846000       13.33000      0.2856000      0.3533000      0.4032000
  1 1 1      17   10   22 o    8.579000      0.1459000       8.465000 0.1999000       8.693000      0.2126000     -0.2281000      0.2918000
  1 1 1      17   10   23 o    7.326000      0.1371000       7.427000 0.1876000       7.225000      0.2000000      0.2018000      0.2742000
  1 1 1      17   10   24 o    4.942000      0.1376000       4.892000 0.1885000       4.992000      0.2004000     -0.1000000      0.2751000
  1 1 1      17   10   25 o    7.858000      0.1423000       7.772000 0.2009000       7.945000      0.2016000     -0.1730000      0.2846000
  1 1 1      17   10   26 o    2.731000      0.2365000       2.688000 0.3421000       2.774000      0.3265000     -0.8634000E-01  0.4729000
  1 1 1      17   10   27 o    2.339000      0.3041000       2.416000 0.4258000       2.262000      0.4343000      0.1540000      0.6082000
  1 1 1      17   10   28 o    4.529000      0.2130000       4.609000 0.3118000       4.449000      0.2902000      0.1600000      0.4260000
  1 1 1      17   10   29 o    3.144000      0.3594000       2.637000 0.6170000       3.652000      0.3689000      -1.015000      0.7189000
  1 1 1      17   10   30 o    1.577000      0.6179000       1.577000 0.6179000                  ?              ?              ?              ?
  1 1 1      17   10   31 f    2.810000      0.4315000       3.587000 0.4797000       2.032000      0.7175000       1.555000      0.8631000
  1 1 1      17   10   32 o    2.136000      0.7290000                  ?       ?   2.136000      0.7290000                  ?              ?
  1 1 1      17   10   33 o    5.180000      0.2990000       5.136000 0.4296000       5.224000      0.4160000     -0.8818000E-01  0.5980000
  1 1 1      17   10   34 o    3.320000       1.192000                  ?       ?   3.320000       1.192000                  ?              ?
  1 1 1      17   11    0 o    11.79000      0.2146000       11.73000 0.3010000       11.86000      0.3060000     -0.1270000      0.4292000
  1 1 1      17   11    1 o    3.923000      0.2946000       4.096000 0.3919000       3.751000      0.4399000      0.3446000      0.5891000
  1 1 1      17   11    2 o    12.04000      0.2090000       12.23000 0.3010000       11.86000      0.2901000      0.3646000      0.4180000
  1 1 1      17   11    3 o    7.831000      0.1983000       7.588000 0.2849000       8.075000      0.2758000     -0.4869000      0.3965000
  1 1 1      17   11    4 o    2.080000      0.4096000       2.302000 0.5379000       1.857000      0.6179000      0.4447000      0.8192000
  1 1 1      17   11    5 o    1.338000      0.4021000       1.374000 0.5796000       1.303000      0.5576000      0.7083000E-01  0.8043000
  1 1 1      17   11    6 o    4.770000      0.2248000       4.706000 0.3337000       4.834000      0.3011000     -0.1283000      0.4495000
  1 1 1      17   11    7 o    8.977000      0.1835000       9.216000 0.2640000       8.737000      0.2551000      0.4796000      0.3671000
  1 1 1      17   11    8 o    8.074000      0.2396000       7.883000 0.3529000       8.266000      0.3242000     -0.3833000      0.4792000
  1 1 1      17   11    9 o    3.946000      0.3136000       4.110000 0.4910000       3.783000      0.3901000      0.3271000      0.6271000
  1 1 1      17   11   10 o    6.843000      0.1723000       6.942000 0.2475000       6.744000      0.2398000      0.1988000      0.3446000
  1 1 1      17   11   11 o    7.479000      0.1625000       7.583000 0.2338000       7.375000      0.2257000      0.2082000      0.3249000
  1 1 1      17   11   12 o    5.037000      0.1745000       5.025000 0.2535000       5.049000      0.2398000     -0.2395000E-01  0.3490000
  1 1 1      17   11   13 o    12.12000      0.2771000       11.96000 0.3774000       12.27000      0.4059000     -0.3044000      0.5542000
  1 1 1      17   11   14 o    4.894000      0.2755000       5.049000 0.3308000       4.740000      0.4407000      0.3090000      0.5511000
  1 1 1      17   11   15 o    12.83000      0.2793000       12.72000 0.3855000       12.94000      0.4042000     -0.2215000      0.5586000
  1 1 1      17   11   16 o    4.049000      0.1618000       4.127000 0.2092000       3.971000      0.2468000      0.1563000      0.3235000
  1 1 1      17   11   17 f    12.81000      0.1927000       13.12000 0.2700000       12.51000      0.2750000      0.6078000      0.3854000
  1 1 1      17   11   18 o    10.98000      0.2012000       11.04000 0.2533000       10.93000      0.3126000      0.1053000      0.4023000
  1 1 1      17   11   19 o    5.683000      0.2109000       5.919000 0.2530000       5.446000      0.3375000      0.4728000      0.4219000
  1 1 1      17   11   20 o    11.62000      0.2185000       11.27000 0.2742000       11.97000      0.3403000     -0.7026000      0.4370000
  1 1 1      17   11   21 o    8.649000      0.1721000       8.617000 0.2282000       8.680000      0.2578000     -0.6328000E-01  0.3443000
  1 1 1      17   11   22 o    4.697000      0.1741000       4.532000 0.2275000       4.862000      0.2636000     -0.3304000      0.3482000
  1 1 1      17   11   23 o    5.933000      0.1422000       5.906000 0.1923000       5.960000      0.2094000     -0.5438000E-01  0.2843000
  1 1 1      17   11   24 o    6.574000      0.1376000       6.644000 0.1901000       6.504000      0.1991000      0.1405000      0.2753000
  1 1 1      17   11   25 o    5.565000      0.1459000       5.342000 0.2028000       5.789000      0.2098000     -0.4469000      0.2918000
  1 1 1      17   11   26 o    3.826000      0.1967000       3.887000 0.2798000       3.764000      0.2765000      0.1224000      0.3933000
  1 1 1      17   11   27 o    5.275000      0.1822000       5.269000 0.2740000       5.281000      0.2401000     -0.1127000E-01  0.3643000
  1 1 1      17   11   28 o    5.770000      0.1995000       5.569000 0.3081000       5.971000      0.2535000     -0.4011000      0.3990000
  1 1 1      17   11   29 f    3.198000      0.4005000       3.208000 0.6316000       3.188000      0.4926000      0.1979000E-01  0.8010000
  1 1 1      17   11   30 f    2.981000       1.001000       2.981000 1.001000                  ?              ?              ?              ?
  1 1 1      17   11   31 o    2.595000      0.7454000       2.926000 1.148000       2.264000      0.9511000      0.6620000       1.491000
  1 1 1      17   11   32 o    3.772000       1.106000                  ?       ?   3.772000       1.106000                  ?              ?
  1 1 1      17   11   33 o    2.414000      0.5241000       2.194000 0.7400000       2.635000      0.7423000     -0.4410000       1.048000
  1 1 1      17   12    0 o    4.809000      0.2584000       4.828000 0.3679000       4.790000      0.3629000      0.3847000E-01  0.5168000
  1 1 1      17   12    1 o    8.640000      0.2026000       9.010000 0.2847000       8.270000      0.2884000      0.7397000      0.4052000
  1 1 1      17   12    2 f    18.27000      0.3859000       18.27000 0.3859000                  ?              ?              ?              ?
  1 1 1      17   12    3 o    4.590000      0.2482000       4.617000 0.3589000       4.563000      0.3430000      0.5422000E-01  0.4965000
  1 1 1      17   12    4 o    1.185000      0.5293000                  ?       ?   1.185000      0.5293000                  ?              ?
  1 1 1      17   12    5 o    13.38000      0.2181000       13.46000 0.3106000       13.29000      0.3063000      0.1702000      0.4362000
  1 1 1      17   12    6 o    5.448000      0.2108000       5.759000 0.3001000       5.137000      0.2961000      0.6219000      0.4216000
  1 1 1      17   12    7 o    2.103000      0.4040000       1.979000 0.6022000       2.226000      0.5389000     -0.2463000      0.8081000
  1 1 1      17   12    8 o    3.985000      0.2313000       3.974000 0.3400000       3.997000      0.3137000     -0.2349000E-01  0.4627000
  1 1 1      17   12    9 o    2.048000      0.3754000       1.773000 0.5761000       2.324000      0.4813000     -0.5507000      0.7507000
  1 1 1      17   12   10 o    4.130000      0.2782000       3.664000 0.4613000       4.595000      0.3112000     -0.9306000      0.5565000
  1 1 1      17   12   11 o    2.289000      0.3973000       2.705000 0.5685000       1.873000      0.5552000      0.8327000      0.7946000
  1 1 1      17   12   12 o    4.844000      0.1764000       4.936000 0.2521000       4.752000      0.2467000      0.1837000      0.3527000
  1 1 1      17   12   13 o    10.88000      0.1759000       10.93000 0.2473000       10.83000      0.2501000      0.1005000      0.3518000
  1 1 1      17   12   14 o    7.493000      0.1484000       7.569000 0.2071000       7.417000      0.2125000      0.1521000      0.2967000
  1 1 1      17   12   15 o    1.457000      0.3279000       1.748000 0.4543000       1.167000      0.4729000      0.5819000      0.6558000
  1 1 1      17   12   16 o    14.89000      0.3092000       14.83000 0.4307000       14.96000      0.4437000     -0.1305000      0.6183000
  1 1 1      17   12   17 o    8.724000      0.2259000       8.747000 0.3061000       8.702000      0.3322000      0.4508000E-01  0.4517000
  1 1 1      17   12   18 o    9.395000      0.2293000       9.589000 0.3151000       9.200000      0.3333000      0.3881000      0.4587000
  1 1 1      17   12   19 o    9.417000      0.2270000       9.486000 0.3025000       9.349000      0.3385000      0.1377000      0.4539000
  1 1 1      17   12   20 o    12.89000      0.2691000       12.76000 0.3741000       13.02000      0.3868000     -0.2556000      0.5381000
  1 1 1      17   12   21 o    13.15000      0.2710000       12.91000 0.3728000       13.39000      0.3933000     -0.4747000      0.5419000
  1 1 1      17   12   22 o    11.99000      0.2507000       12.06000 0.3519000       11.92000      0.3571000      0.1378000      0.5014000
  1 1 1      17   12   23 o    4.381000      0.2045000       4.386000 0.2669000       4.375000      0.3099000      0.1082000E-01  0.4089000
  1 1 1      17   12   24 o    11.23000      0.2358000       10.89000 0.3239000       11.56000      0.3427000     -0.6631000      0.4716000
  1 1 1      17   12   25 o    2.600000      0.3463000       1.849000 0.5675000       3.351000      0.3969000      -1.503000      0.6925000
  1 1 1      17   12   26 o    5.280000      0.2198000       5.567000 0.3016000       4.993000      0.3199000      0.5740000      0.4397000
  1 1 1      17   12   27 o    2.881000      0.4502000       2.701000 0.6924000       3.061000      0.5755000     -0.3597000      0.9004000
  1 1 1      17   12   28 o    4.244000      0.2625000       4.204000 0.4118000       4.284000      0.3255000     -0.7984000E-01  0.5249000
  1 1 1      17   12   29 o    4.703000      0.3264000       4.134000 0.5373000       5.273000      0.3707000      -1.139000      0.6528000
  1 1 1      17   12   30 o    2.335000      0.5274000       2.862000 0.7805000       1.808000      0.7095000       1.054000       1.055000
  1 1 1      17   12   31 o    3.941000      0.4431000       3.441000 0.7536000       4.441000      0.4664000     -0.9998000      0.8862000
  1 1 1      17   12   32 o    2.767000      0.5269000       2.201000 0.8552000       3.334000      0.6157000      -1.133000       1.054000
  1 1 1      17   12   33 o    2.889000      0.5465000       2.932000 0.8122000       2.846000      0.7313000      0.8606000E-01   1.093000
  1 1 1      17   13    0 o    7.878000      0.2092000       8.210000 0.2926000       7.545000      0.2990000      0.6653000      0.4184000
  1 1 1      17   13    1 f    4.981000      0.2583000       5.190000 0.3527000       4.773000      0.3774000      0.4164000      0.5165000
  1 1 1      17   13    2 o    2.059000      0.6584000       2.059000 0.6584000                  ?              ?              ?              ?
  1 1 1      17   13    3 o    8.590000      0.1983000       8.465000 0.2826000       8.716000      0.2784000     -0.2513000      0.3967000
  1 1 1      17   13    4 o    2.931000      0.3745000       2.227000 0.6254000       3.634000      0.4121000      -1.407000      0.7490000
  1 1 1      17   13    5 o    5.720000      0.2084000       5.668000 0.3073000       5.773000      0.2817000     -0.1048000      0.4168000
  1 1 1      17   13    6 o    5.954000      0.2522000       5.775000 0.4239000       6.132000      0.2733000     -0.3574000      0.5044000
  1 1 1      17   13    7 o    9.890000      0.1872000       9.735000 0.2672000       10.04000      0.2622000     -0.3088000      0.3744000
  1 1 1      17   13    8 f    4.852000      0.2082000       4.605000 0.3075000       5.099000      0.2809000     -0.4937000      0.4165000
  1 1 1      17   13    9 f    1.655000      0.3972000       1.623000 0.5778000       1.687000      0.5452000     -0.6344000E-01  0.7944000
  1 1 1      17   13   10 o    9.132000      0.1749000       9.059000 0.2482000       9.206000      0.2464000     -0.1471000      0.3498000
  1 1 1      17   13   11 o    2.612000      0.3089000       2.302000 0.4932000       2.922000      0.3722000     -0.6200000      0.6179000
  1 1 1      17   13   12 o    5.304000      0.2103000       4.941000 0.3257000       5.667000      0.2660000     -0.7255000      0.4205000
  1 1 1      17   13   13 o    13.43000      0.2742000       13.10000 0.3824000       13.76000      0.3931000     -0.6623000      0.5484000
  1 1 1      17   13   14 o    3.708000      0.2383000       3.719000 0.3730000       3.696000      0.2967000      0.2278000E-01  0.4766000
  1 1 1      17   13   15 o    5.256000      0.1977000       5.247000 0.2843000       5.265000      0.2747000     -0.1858000E-01  0.3953000
  1 1 1      17   13   16 o    6.130000      0.1663000       6.097000 0.2132000       6.163000      0.2552000     -0.6586000E-01  0.3326000
  1 1 1      17   13   17 o    3.990000      0.2872000       4.421000 0.3121000       3.559000      0.4823000      0.8620000      0.5744000
  1 1 1      17   13   18 o    5.371000      0.2363000       5.580000 0.2760000       5.162000      0.3838000      0.4177000      0.4727000
  1 1 1      17   13   19 o    3.636000      0.2953000       3.640000 0.3467000       3.631000      0.4781000      0.8734000E-02  0.5906000
  1 1 1      17   13   20 o    8.464000      0.2018000       8.290000 0.2636000       8.637000      0.3055000     -0.3475000      0.4035000
  1 1 1      17   13   21 o    9.281000      0.1897000       9.271000 0.2499000       9.292000      0.2855000     -0.2119000E-01  0.3794000
  1 1 1      17   13   22 o    4.479000      0.1906000       4.367000 0.2433000       4.592000      0.2935000     -0.2249000      0.3812000
  1 1 1      17   13   23 o    5.094000      0.1681000       5.133000 0.2292000       5.056000      0.2461000      0.7725000E-01  0.3363000
  1 1 1      17   13   24 o    9.339000      0.1640000       9.243000 0.2304000       9.435000      0.2334000     -0.1914000      0.3279000
  1 1 1      17   13   25 o    2.196000      0.3434000       1.896000 0.5327000       2.496000      0.4335000     -0.5997000      0.6868000
  1 1 1      17   13   26 o    4.796000      0.2142000       4.715000 0.3236000       4.878000      0.2808000     -0.1629000      0.4285000
  1 1 1      17   13   27 o    2.190000      0.4102000       1.941000 0.6194000       2.439000      0.5380000     -0.4985000      0.8205000
  1 1 1      17   13   28 o    4.076000      0.4048000       3.968000 0.6381000       4.185000      0.4981000     -0.2172000      0.8095000
  1 1 1      17   13   29 o    6.524000      0.3186000       6.887000 0.4781000       6.161000      0.4211000      0.7265000      0.6371000
  1 1 1      17   13   30 o    1.722000      0.5331000       1.795000 0.7954000       1.648000      0.7100000      0.1472000       1.066000
  1 1 1      17   13   31 o    4.105000      0.4882000       4.232000 0.7584000       3.977000      0.6148000      0.2553000      0.9763000
  1 1 1      17   13   32 o    1.965000      0.5482000       2.237000 0.8216000       1.694000      0.7261000      0.5426000       1.096000
  1 1 1      17   13   33 o    4.705000      0.4116000       4.422000 0.6382000       4.988000      0.5201000     -0.5660000      0.8233000
  1 1 1      17   14    0 o    5.700000      0.2353000       5.874000 0.3302000       5.526000      0.3353000      0.3478000      0.4705000
  1 1 1      17   14    1 o    9.743000      0.2055000       9.828000 0.2880000       9.658000      0.2933000      0.1698000      0.4110000
  1 1 1      17   14    2 o    10.99000      0.2115000       10.76000 0.2957000       11.22000      0.3025000     -0.4673000      0.4230000
  1 1 1      17   14    3 o    11.22000      0.2064000       10.93000 0.2898000       11.50000      0.2939000     -0.5720000      0.4127000
  1 1 1      17   14    4 o    3.905000      0.2913000       3.494000 0.4547000       4.316000      0.3642000     -0.8217000      0.5826000
  1 1 1      17   14    5 o    3.915000      0.2738000       3.829000 0.4154000       4.001000      0.3569000     -0.1722000      0.5476000
  1 1 1      17   14    6 o    3.065000      0.3321000       2.763000 0.5389000       3.367000      0.3883000     -0.6043000      0.6643000
  1 1 1      17   14    7 o    6.857000      0.1874000       6.692000 0.2688000       7.022000      0.2611000     -0.3298000      0.3747000
  1 1 1      17   14    8 o    1.516000      0.4011000       1.412000 0.5706000       1.620000      0.5638000     -0.2086000      0.8021000
  1 1 1      17   14    9 o    5.752000      0.1801000       5.993000 0.2519000       5.511000      0.2575000      0.4819000      0.3602000
  1 1 1      17   14   10 o    6.184000      0.1760000       6.196000 0.2525000       6.172000      0.2454000      0.2439000E-01  0.3521000
  1 1 1      17   14   11 o    9.422000      0.1720000       9.504000 0.2410000       9.341000      0.2456000      0.1637000      0.3441000
  1 1 1      17   14   12 o    8.840000      0.1666000       9.002000 0.2328000       8.679000      0.2385000      0.3232000      0.3332000
  1 1 1      17   14   13 o    5.810000      0.1619000       5.756000 0.2315000       5.863000      0.2264000     -0.1072000      0.3239000
  1 1 1      17   14   14 o    7.041000      0.1568000       6.783000 0.2143000       7.298000      0.2288000     -0.5152000      0.3135000
  1 1 1      17   14   15 o    2.915000      0.2781000       2.773000 0.3505000       3.056000      0.4318000     -0.2827000      0.5562000
  1 1 1      17   14   16 o    6.166000      0.2278000       6.265000 0.2267000       6.067000      0.3952000      0.1988000      0.4556000
  1 1 1      17   14   17 f    7.964000      0.4641000       8.633000 0.4319000       7.296000      0.8216000       1.337000      0.9282000
  1 1 1      17   14   18 o    3.117000      0.9101000       2.901000 1.037000       3.334000       1.496000     -0.4335000       1.820000
  1 1 1      17   14   19 o    8.975000      0.8434000       10.75000 0.6001000       7.200000       1.576000       3.549000       1.687000
  1 1 1      17   14   20 f    2.757000      0.8743000       2.572000 1.093000       2.942000       1.364000     -0.3699000       1.749000
  1 1 1      17   14   21 o    3.916000      0.6603000       5.262000 0.6952000       2.570000       1.123000       2.692000       1.321000
  1 1 1      17   14   22 o    7.194000      0.3411000       7.940000 0.4443000       6.448000      0.5176000       1.492000      0.6822000
  1 1 1      17   14   23 o    8.536000      0.2728000       8.517000 0.3748000       8.556000      0.3964000     -0.3885000E-01  0.5455000
  1 1 1      17   14   24 o    6.630000      0.2624000       7.002000 0.3671000       6.258000      0.3750000      0.7441000      0.5248000
  1 1 1      17   14   25 o    3.155000      0.4309000       2.793000 0.7013000       3.516000      0.5008000     -0.7224000      0.8618000
  1 1 1      17   14   26 o    6.130000      0.1950000       6.279000 0.2879000       5.982000      0.2630000      0.2970000      0.3899000
  1 1 1      17   14   27 o    2.884000      0.3767000       2.837000 0.5763000       2.932000      0.4854000     -0.9509000E-01  0.7535000
  1 1 1      17   14   28 o    5.913000      0.2531000       6.062000 0.3846000       5.764000      0.3290000      0.2981000      0.5061000
  1 1 1      17   14   29 o    3.735000      0.4088000       3.768000 0.6222000       3.701000      0.5305000      0.6699000E-01  0.8177000
  1 1 1      17   14   30 o    2.683000      0.5411000       2.748000 0.8072000       2.617000      0.7209000      0.1313000       1.082000
  1 1 1      17   14   31 o    2.057000      0.8292000       2.057000 0.8292000                  ?              ?              ?              ?
  1 1 1      17   14   32 o    3.125000      0.5388000       2.463000 0.8725000       3.787000      0.6325000      -1.325000       1.078000
  1 1 1      17   14   33 o    3.630000      0.5008000       3.373000 0.7758000       3.887000      0.6337000     -0.5143000       1.002000
  1 1 1      17   15    0 o    5.285000      0.2563000       5.296000 0.3650000       5.273000      0.3600000      0.2318000E-01  0.5126000
  1 1 1      17   15    1 o    14.48000      0.2361000       14.38000 0.3326000       14.58000      0.3353000     -0.1965000      0.4723000
  1 1 1      17   15    2 o    13.44000      0.2245000       13.40000 0.3143000       13.48000      0.3206000     -0.8873000E-01  0.4489000
  1 1 1      17   15    3 o    9.529000      0.2007000       9.407000 0.2853000       9.651000      0.2824000     -0.2438000      0.4014000
  1 1 1      17   15    4 o    3.418000      0.3230000       3.014000 0.5279000       3.823000      0.3722000     -0.8097000      0.6460000
  1 1 1      17   15    5 o    5.029000      0.2282000       4.794000 0.3549000       5.265000      0.2871000     -0.4711000      0.4565000
  1 1 1      17   15    6 o    5.744000      0.2087000       5.356000 0.3150000       6.132000      0.2740000     -0.7760000      0.4175000
  1 1 1      17   15    7 o    1.326000      0.3788000       1.621000 0.5921000       1.030000      0.4726000      0.5918000      0.7575000
  1 1 1      17   15    8 o    5.769000      0.1899000       5.773000 0.2719000       5.765000      0.2651000      0.8553000E-02  0.3798000
  1 1 1      17   15    9 o    5.466000      0.1898000       5.219000 0.2787000       5.712000      0.2578000     -0.4922000      0.3797000
  1 1 1      17   15   10 o    8.519000      0.1724000       8.607000 0.2437000       8.432000      0.2439000      0.1752000      0.3448000
  1 1 1      17   15   11 o    9.594000      0.1729000       9.365000 0.2419000       9.822000      0.2472000     -0.4565000      0.3459000
  1 1 1      17   15   12 o    6.142000      0.1628000       6.135000 0.2310000       6.149000      0.2295000     -0.1487000E-01  0.3256000
  1 1 1      17   15   13 o    9.047000      0.1653000       8.860000 0.2265000       9.234000      0.2409000     -0.3744000      0.3307000
  1 1 1      17   15   14 o    10.31000      0.1740000       10.52000 0.2443000       10.09000      0.2477000      0.4318000      0.3479000
  1 1 1      17   15   15 o    8.278000      0.1752000       8.121000 0.2325000       8.434000      0.2621000     -0.3128000      0.3504000
  1 1 1      17   15   16 o    8.563000      0.2216000       8.480000 0.2414000       8.645000      0.3718000     -0.1650000      0.4433000
  1 1 1      17   15   17 o    2.418000      0.4554000       1.934000 0.6118000       2.902000      0.6748000     -0.9673000      0.9109000
  1 1 1      17   15   18 o    6.930000      0.2245000       6.599000 0.2919000       7.262000      0.3412000     -0.6628000      0.4491000
  1 1 1      17   15   19 o    12.93000      0.2576000       12.72000 0.3211000       13.14000      0.4028000     -0.4119000      0.5151000
  1 1 1      17   15   20 o    3.753000      0.2835000       3.308000 0.3894000       4.197000      0.4121000     -0.8890000      0.5670000
  1 1 1      17   15   21 o    2.745000      0.3782000       3.026000 0.4077000       2.464000      0.6372000      0.5614000      0.7564000
  1 1 1      17   15   22 o    8.367000      0.1864000       8.714000 0.2546000       8.021000      0.2723000      0.6927000      0.3728000
  1 1 1      17   15   23 o    1.663000      0.4056000       2.005000 0.5849000       1.320000      0.5622000      0.6854000      0.8113000
  1 1 1      17   15   24 o    7.200000      0.1739000       7.223000 0.2445000       7.177000      0.2475000      0.4667000E-01  0.3479000
  1 1 1      17   15   25 o    6.711000      0.1916000       6.775000 0.2775000       6.646000      0.2643000      0.1291000      0.3832000
  1 1 1      17   15   26 o    4.465000      0.2482000       4.889000 0.3521000       4.040000      0.3500000      0.8483000      0.4965000
  1 1 1      17   15   27 o    4.335000      0.3107000       3.594000 0.5305000       5.075000      0.3235000      -1.482000      0.6214000
  1 1 1      17   15   28 o    4.464000      0.3410000       4.834000 0.4842000       4.095000      0.4801000      0.7389000      0.6819000
  1 1 1      17   15   29 o    3.717000      0.4538000       3.446000 0.7493000       3.987000      0.5122000     -0.5410000      0.9077000
  1 1 1      17   15   30 o    2.026000      0.5546000       1.928000 0.8149000       2.125000      0.7524000     -0.1967000       1.109000
  1 1 1      17   15   32 o    3.672000      0.5401000       3.637000 0.8468000       3.708000      0.6708000     -0.7025000E-01   1.080000
  1 1 1      17   15   33 o    1.826000      0.7690000                  ?       ?   1.826000      0.7690000                  ?              ?
  1 1 1      17   16    0 o    7.607000      0.2148000       7.658000 0.3037000       7.555000      0.3039000      0.1023000      0.4297000
  1 1 1      17   16    1 o    10.98000      0.2123000       10.80000 0.2997000       11.17000      0.3007000     -0.3780000      0.4245000
  1 1 1      17   16    2 o    4.842000      0.2554000       5.223000 0.3417000       4.462000      0.3797000      0.7609000      0.5108000
  1 1 1      17   16    3 o    4.168000      0.4216000       4.168000 0.4216000                  ?              ?              ?              ?
  1 1 1      17   16    4 o    3.545000      0.3184000       3.112000 0.5110000       3.979000      0.3800000     -0.8670000      0.6367000
  1 1 1      17   16    5 o    5.989000      0.2831000                  ?       ?   5.989000      0.2831000                  ?              ?
  1 1 1      17   16    6 o    7.541000      0.1857000       7.628000 0.2719000       7.454000      0.2530000      0.1741000      0.3714000
  1 1 1      17   16    7 o    3.769000      0.2674000       3.963000 0.3661000       3.574000      0.3897000      0.3892000      0.5347000
  1 1 1      17   16    8 o    5.639000      0.1951000       5.710000 0.2783000       5.567000      0.2734000      0.1428000      0.3901000
  1 1 1      17   16    9 o    9.119000      0.1759000       8.794000 0.2483000       9.443000      0.2492000     -0.6495000      0.3517000
  1 1 1      17   16   10 o    10.15000      0.1817000       10.37000 0.2595000       9.936000      0.2544000      0.4363000      0.3634000
  1 1 1      17   16   11 o    8.830000      0.1700000       8.795000 0.2373000       8.864000      0.2436000     -0.6888000E-01  0.3401000
  1 1 1      17   16   12 o    5.008000      0.1788000       5.112000 0.2527000       4.904000      0.2530000      0.2086000      0.3576000
  1 1 1      17   16   13 o    7.094000      0.1681000       7.123000 0.2288000       7.065000      0.2464000      0.5850000E-01  0.3362000
  1 1 1      17   16   14 o    5.396000      0.1880000       5.353000 0.2453000       5.439000      0.2849000     -0.8601000E-01  0.3759000
  1 1 1      17   16   15 o    8.313000      0.1813000       8.392000 0.2384000       8.234000      0.2731000      0.1585000      0.3625000
  1 1 1      17   16   16 o    7.401000      0.2112000       7.569000 0.2590000       7.234000      0.3337000      0.3350000      0.4224000
  1 1 1      17   16   17 o    4.425000      0.2772000       4.290000 0.3436000       4.561000      0.4351000     -0.2712000      0.5544000
  1 1 1      17   16   18 o    6.402000      0.2317000       6.344000 0.2921000       6.461000      0.3597000     -0.1176000      0.4633000
  1 1 1      17   16   19 o    4.718000      0.2602000       4.525000 0.3358000       4.912000      0.3977000     -0.3872000      0.5205000
  1 1 1      17   16   20 o    6.251000      0.2251000       6.079000 0.2961000       6.422000      0.3392000     -0.3430000      0.4503000
  1 1 1      17   16   21 f    11.33000      0.2356000       11.12000 0.2952000       11.53000      0.3673000     -0.4099000      0.4712000
  1 1 1      17   16   22 o    9.918000      0.2029000       9.894000 0.2760000       9.942000      0.2974000     -0.4834000E-01  0.4058000
  1 1 1      17   16   23 o    7.324000      0.1901000       7.308000 0.2599000       7.340000      0.2775000     -0.3218000E-01  0.3802000
  1 1 1      17   16   24 o    10.20000      0.1931000       10.14000 0.2723000       10.25000      0.2738000     -0.1050000      0.3861000
  1 1 1      17   16   25 o    2.171000      0.4689000       2.397000 0.6581000       1.946000      0.6680000      0.4505000      0.9378000
  1 1 1      17   16   26 o    2.843000      0.4144000       2.514000 0.6814000       3.171000      0.4719000     -0.6564000      0.8289000
  1 1 1      17   16   27 o    3.772000      0.3662000       3.596000 0.5802000       3.949000      0.4470000     -0.3529000      0.7324000
  1 1 1      17   16   28 o    4.155000      0.3879000       4.434000 0.5557000       3.875000      0.5412000      0.5586000      0.7757000
  1 1 1      17   16   29 o    3.896000      0.4880000       2.997000 0.8542000       4.795000      0.4719000      -1.799000      0.9759000
  1 1 1      17   16   30 o    2.448000      0.5900000       2.228000 0.8805000       2.668000      0.7857000     -0.4399000       1.180000
  1 1 1      17   16   31 o    3.034000      0.5728000       3.110000 0.9407000       2.959000      0.6539000      0.1512000       1.146000
  1 1 1      17   16   32 o    2.639000      0.6002000       3.335000 0.8943000       1.943000      0.8007000       1.391000       1.200000
  1 1 1      17   17    0 o    8.285000      0.2169000       8.132000 0.3165000       8.438000      0.2967000     -0.3058000      0.4338000
  1 1 1      17   17    1 o    4.737000      0.2670000       4.319000 0.4087000       5.155000      0.3436000     -0.8360000      0.5340000
  1 1 1      17   17    2 o    2.657000      0.4205000       2.505000 0.6387000       2.808000      0.5471000     -0.3033000      0.8410000
  1 1 1      17   17    3 o    4.557000      0.3545000       4.557000 0.3545000                  ?              ?              ?              ?
  1 1 1      17   17    4 o    4.412000      0.2460000       4.376000 0.3568000       4.449000      0.3387000     -0.7312000E-01  0.4920000
  1 1 1      17   17    5 o    6.716000      0.2771000                  ?       ?   6.716000      0.2771000                  ?              ?
  1 1 1      17   17    6 o    5.103000      0.2202000       5.254000 0.3119000       4.951000      0.3110000      0.3037000      0.4405000
  1 1 1      17   17    7 o    5.752000      0.2039000       5.739000 0.2949000       5.764000      0.2815000     -0.2597000E-01  0.4077000
  1 1 1      17   17    8 o    6.737000      0.1841000       6.643000 0.2612000       6.830000      0.2594000     -0.1865000      0.3681000
  1 1 1      17   17    9 o    11.09000      0.1922000       11.04000 0.2689000       11.14000      0.2746000     -0.1046000      0.3843000
  1 1 1      17   17   10 o    5.423000      0.1912000       5.340000 0.2785000       5.505000      0.2620000     -0.1658000      0.3823000
  1 1 1      17   17   11 o    2.497000      0.3293000       2.045000 0.5365000       2.950000      0.3819000     -0.9048000      0.6586000
  1 1 1      17   17   12 o    3.827000      0.2340000       3.676000 0.3427000       3.979000      0.3186000     -0.3030000      0.4679000
  1 1 1      17   17   13 o    4.019000      0.2191000       3.791000 0.3135000       4.247000      0.3060000     -0.4562000      0.4381000
  1 1 1      17   17   14 o    5.700000      0.2025000       5.791000 0.2569000       5.609000      0.3130000      0.1823000      0.4050000
  1 1 1      17   17   15 o    12.47000      0.2504000       12.22000 0.2767000       12.73000      0.4175000     -0.5086000      0.5008000
  1 1 1      17   17   16 o    4.802000      0.2706000       4.942000 0.3089000       4.662000      0.4444000      0.2801000      0.5413000
  1 1 1      17   17   17 o    6.549000      0.2327000       6.309000 0.2932000       6.789000      0.3614000     -0.4797000      0.4654000
  1 1 1      17   17   18 o    5.905000      0.2393000       5.820000 0.3012000       5.989000      0.3719000     -0.1687000      0.4786000
  1 1 1      17   17   19 o    11.45000      0.2502000       11.16000 0.3234000       11.74000      0.3819000     -0.5789000      0.5004000
  1 1 1      17   17   20 o    8.649000      0.2249000       8.243000 0.2885000       9.054000      0.3451000     -0.8110000      0.4498000
  1 1 1      17   17   21 o    11.04000      0.2399000       10.86000 0.3060000       11.22000      0.3695000     -0.3617000      0.4798000
  1 1 1      17   17   22 o    9.622000      0.2100000       9.695000 0.2888000       9.548000      0.3050000      0.1466000      0.4200000
  1 1 1      17   17   23 o    4.430000      0.2618000       4.424000 0.3529000       4.437000      0.3867000     -0.1263000E-01  0.5235000
  1 1 1      17   17   24 o    2.352000      0.4902000       2.235000 0.6982000       2.470000      0.6882000     -0.2350000      0.9804000
  1 1 1      17   17   25 o    1.972000      0.4646000       2.490000 0.6847000       1.455000      0.6280000       1.036000      0.9291000
  1 1 1      17   17   26 o    6.592000      0.2349000       6.453000 0.3483000       6.730000      0.3152000     -0.2773000      0.4698000
  1 1 1      17   17   27 o    4.114000      0.3692000       4.330000 0.5329000       3.899000      0.5110000      0.4314000      0.7383000
  1 1 1      17   17   28 o    6.966000      0.2829000       7.050000 0.4221000       6.881000      0.3769000      0.1699000      0.5659000
  1 1 1      17   17   29 o    2.212000      0.5794000       2.458000 0.8584000       1.966000      0.7786000      0.4916000       1.159000
  1 1 1      17   17   30 o    1.761000      0.5370000       1.598000 0.7454000       1.925000      0.7733000     -0.3269000       1.074000
  1 1 1      17   17   31 o    3.797000      0.5764000       3.913000 0.8696000       3.680000      0.7566000      0.2337000       1.153000
  1 1 1      17   17   32 o    2.029000      0.5759000       1.615000 0.7528000       2.442000      0.8718000     -0.8271000       1.152000
  1 1 1      17   18    0 o    3.924000      0.4928000       4.026000 0.6241000       3.822000      0.7630000      0.2036000      0.9857000
  1 1 1      17   18    1 o    3.083000      0.5592000       3.629000 0.6224000       2.537000      0.9292000       1.092000       1.118000
  1 1 1      17   18    2 o    7.654000      0.3069000       7.834000 0.3066000       7.474000      0.5317000      0.3602000      0.6138000
  1 1 1      17   18    3 o    3.890000      0.2839000       3.472000 0.4582000       4.307000      0.3353000     -0.8348000      0.5678000
  1 1 1      17   18    4 o    12.20000      0.2138000       12.14000 0.3023000       12.26000      0.3025000     -0.1232000      0.4276000
  1 1 1      17   18    5 o    8.307000      0.2313000       7.888000 0.3751000       8.726000      0.2706000     -0.8378000      0.4625000
  1 1 1      17   18    6 o    3.599000      0.2914000       3.872000 0.4055000       3.327000      0.4184000      0.5458000      0.5827000
  1 1 1      17   18    7 o    9.638000      0.1887000       9.741000 0.2698000       9.536000      0.2639000      0.2050000      0.3774000
  1 1 1      17   18    8 o    5.881000      0.1921000       5.957000 0.2762000       5.805000      0.2670000      0.1513000      0.3841000
  1 1 1      17   18    9 o    11.45000      0.1939000       11.27000 0.2701000       11.63000      0.2781000     -0.3636000      0.3877000
  1 1 1      17   18   10 o    4.919000      0.2003000       4.928000 0.2943000       4.911000      0.2717000      0.1698000E-01  0.4005000
  1 1 1      17   18   11 o    8.798000      0.1765000       8.687000 0.2477000       8.908000      0.2515000     -0.2211000      0.3530000
  1 1 1      17   18   12 o    6.881000      0.1742000       6.943000 0.2387000       6.820000      0.2536000      0.1225000      0.3483000
  1 1 1      17   18   13 o    4.646000      0.2191000       4.566000 0.2937000       4.725000      0.3252000     -0.1595000      0.4382000
  1 1 1      17   18   14 o    4.143000      0.2853000       4.352000 0.3370000       3.934000      0.4604000      0.4189000      0.5705000
  1 1 1      17   18   15 o    4.014000      0.2929000       3.906000 0.3522000       4.121000      0.4680000     -0.2157000      0.5857000
  1 1 1      17   18   16 o    13.58000      0.2468000       13.70000 0.3136000       13.45000      0.3811000      0.2556000      0.4935000
  1 1 1      17   18   17 o    5.112000      0.2689000       5.184000 0.3405000       5.040000      0.4163000      0.1440000      0.5378000
  1 1 1      17   18   18 o    10.87000      0.2482000       10.80000 0.3268000       10.94000      0.3736000     -0.1431000      0.4963000
  1 1 1      17   18   19 o    7.881000      0.2276000       7.626000 0.2951000       8.136000      0.3465000     -0.5106000      0.4551000
  1 1 1      17   18   20 o    3.857000      0.3303000       4.184000 0.3964000       3.530000      0.5284000      0.6537000      0.6606000
  1 1 1      17   18   21 o    4.872000      0.2822000       5.323000 0.3455000       4.421000      0.4463000      0.9020000      0.5644000
  1 1 1      17   18   22 o    5.265000      0.2697000       4.989000 0.3831000       5.541000      0.3799000     -0.5518000      0.5395000
  1 1 1      17   18   23 o    2.028000      0.4579000       1.533000 0.6388000       2.524000      0.6561000     -0.9915000      0.9158000
  1 1 1      17   18   24 o    8.650000      0.2176000       8.249000 0.3110000       9.052000      0.3044000     -0.8026000      0.4352000
  1 1 1      17   18   25 o    2.641000      0.5000000       2.580000 0.7315000       2.702000      0.6819000     -0.1226000       1.000000
  1 1 1      17   18   26 o    2.432000      0.5058000       3.022000 0.7087000       1.841000      0.7219000       1.181000       1.012000
  1 1 1      17   18   27 o    4.804000      0.3580000       4.480000 0.5741000       5.127000      0.4279000     -0.6471000      0.7160000
  1 1 1      17   18   28 o    4.662000      0.3987000       4.902000 0.5870000       4.423000      0.5397000      0.4790000      0.7973000
  1 1 1      17   18   29 o    2.020000      0.5771000       2.116000 0.8478000       1.924000      0.7832000      0.1924000       1.154000
  1 1 1      17   18   30 o    2.099000      0.5911000       2.470000 0.9072000       1.728000      0.7580000      0.7419000       1.182000
  1 1 1      17   18   31 o    1.873000      0.5777000       2.293000 0.9334000       1.452000      0.6810000      0.8408000       1.155000
  1 1 1      17   18   32 o    2.269000      0.7198000       2.304000 0.9669000       2.235000       1.067000      0.6871000E-01   1.440000
  1 1 1      17   19    0 o    3.978000      0.3234000       3.893000 0.4880000       4.062000      0.4244000     -0.1688000      0.6468000
  1 1 1      17   19    1 o    2.307000      0.4607000       2.240000 0.6614000       2.374000      0.6415000     -0.1339000      0.9214000
  1 1 1      17   19    2 o    1.954000      0.5470000       2.048000 0.7461000       1.860000      0.8001000      0.1886000       1.094000
  1 1 1      17   19    3 o    2.666000      0.5871000       2.797000 0.7251000       2.535000      0.9235000      0.2622000       1.174000
  1 1 1      17   19    4 o    7.534000      0.3335000       7.673000 0.4145000       7.394000      0.5225000      0.2788000      0.6669000
  1 1 1      17   19    5 o    6.519000      0.3103000       6.856000 0.2907000       6.181000      0.5482000      0.6745000      0.6205000
  1 1 1      17   19    6 o    3.936000      0.2945000       3.328000 0.4904000       4.544000      0.3263000      -1.216000      0.5890000
  1 1 1      17   19    7 o    7.071000      0.1901000       7.269000 0.2765000       6.873000      0.2611000      0.3963000      0.3803000
  1 1 1      17   19    8 o    1.138000      0.3621000       1.155000 0.5171000       1.120000      0.5070000      0.3460000E-01  0.7242000
  1 1 1      17   19    9 o    5.163000      0.2085000       5.235000 0.2924000       5.092000      0.2972000      0.1425000      0.4170000
  1 1 1      17   19   10 o    5.181000      0.2016000       5.531000 0.2742000       4.831000      0.2957000      0.7002000      0.4033000
  1 1 1      17   19   11 o    6.666000      0.1841000       6.549000 0.2565000       6.783000      0.2641000     -0.2340000      0.3681000
  1 1 1      17   19   12 o    8.523000      0.1779000       8.610000 0.2455000       8.437000      0.2575000      0.1733000      0.3557000
  1 1 1      17   19   13 o    2.215000      0.4511000       1.970000 0.6079000       2.459000      0.6667000     -0.4889000      0.9022000
  1 1 1      17   19   14 o    4.031000      0.2836000       4.363000 0.3181000       3.700000      0.4696000      0.6630000      0.5672000
  1 1 1      17   19   15 o    3.775000      0.3391000       3.565000 0.4093000       3.986000      0.5408000     -0.4215000      0.6783000
  1 1 1      17   19   16 o    3.224000      0.4159000       3.667000 0.4249000       2.782000      0.7151000      0.8849000      0.8318000
  1 1 1      17   19   17 o    15.63000      0.2963000       15.66000 0.3663000       15.59000      0.4658000      0.6942000E-01  0.5925000
  1 1 1      17   19   18 o    9.570000      0.2383000       9.385000 0.3116000       9.754000      0.3605000     -0.3690000      0.4765000
  1 1 1      17   19   19 o    4.955000      0.2797000       5.507000 0.3312000       4.403000      0.4509000       1.105000      0.5594000
  1 1 1      17   19   20 o    6.665000      0.2515000       6.233000 0.3410000       7.097000      0.3696000     -0.8635000      0.5029000
  1 1 1      17   19   21 o    1.946000      0.4882000       1.609000 0.6527000       2.283000      0.7262000     -0.6742000      0.9764000
  1 1 1      17   19   22 o    5.484000      0.2667000       5.442000 0.3657000       5.526000      0.3885000     -0.8473000E-01  0.5335000
  1 1 1      17   19   23 o    7.260000      0.2351000       7.657000 0.3327000       6.863000      0.3324000      0.7934000      0.4703000
  1 1 1      17   19   24 f    7.480000      0.2443000       7.742000 0.3454000       7.218000      0.3454000      0.5245000      0.4885000
  1 1 1      17   19   25 o    2.662000      0.5172000       3.188000 0.7086000       2.135000      0.7536000       1.053000       1.034000
  1 1 1      17   19   26 o    3.379000      0.4716000       3.719000 0.6243000       3.038000      0.7070000      0.6808000      0.9432000
  1 1 1      17   19   27 o    4.898000      0.3978000       4.565000 0.6465000       5.232000      0.4638000     -0.6664000      0.7956000
  1 1 1      17   19   28 o    2.095000      0.5727000       2.440000 0.8787000       1.750000      0.7346000      0.6895000       1.145000
  1 1 1      17   19   29 o    4.398000      0.4778000       4.244000 0.7351000       4.552000      0.6105000     -0.3083000      0.9555000
  1 1 1      17   19   30 o    2.543000      0.6366000       2.409000 0.9270000       2.676000      0.8728000     -0.2663000       1.273000
  1 1 1      17   19   31 o    2.176000      0.6210000       2.635000 0.9728000       1.716000      0.7721000      0.9187000       1.242000
  1 1 1      17   20    0 o    2.253000      0.5218000       1.950000 0.8033000       2.556000      0.6661000     -0.6066000       1.044000
  1 1 1      17   20    1 o    8.662000      0.2793000       8.811000 0.4255000       8.514000      0.3618000      0.2967000      0.5585000
  1 1 1      17   20    2 o    7.429000      0.2154000       7.124000 0.3134000       7.734000      0.2955000     -0.6100000      0.4307000
  1 1 1      17   20    3 o    7.538000      0.2101000       7.257000 0.2983000       7.820000      0.2958000     -0.5630000      0.4201000
  1 1 1      17   20    4 o    4.474000      0.2708000       4.183000 0.4037000       4.766000      0.3612000     -0.5823000      0.5417000
  1 1 1      17   20    5 o    3.089000      0.3377000       2.997000 0.5023000       3.182000      0.4515000     -0.1851000      0.6754000
  1 1 1      17   20    6 o    4.230000      0.4729000       3.896000 0.6434000       4.563000      0.6932000     -0.6677000      0.9457000
  1 1 1      17   20    7 o    6.568000      0.3284000       6.617000 0.4160000       6.519000      0.5082000      0.9860000E-01  0.6567000
  1 1 1      17   20    8 o    6.965000      0.3203000       7.418000 0.4112000       6.512000      0.4913000      0.9061000      0.6407000
  1 1 1      17   20    9 o    6.317000      0.3506000       6.523000 0.4229000       6.110000      0.5592000      0.4127000      0.7011000
  1 1 1      17   20   10 o    6.428000      0.1919000       6.639000 0.2652000       6.217000      0.2775000      0.4225000      0.3839000
  1 1 1      17   20   11 o    3.674000      0.2805000       3.820000 0.3678000       3.528000      0.4236000      0.2919000      0.5610000
  1 1 1      17   20   12 o    5.499000      0.2267000       5.795000 0.2887000       5.203000      0.3496000      0.5915000      0.4534000
  1 1 1      17   20   13 o    3.531000      0.3398000       3.737000 0.3943000       3.324000      0.5535000      0.4124000      0.6796000
  1 1 1      17   20   14 o    2.637000      0.4421000       3.030000 0.5019000       2.245000      0.7280000      0.7855000      0.8843000
  1 1 1      17   20   15 o    7.347000      0.2469000       7.508000 0.3016000       7.185000      0.3910000      0.3231000      0.4938000
  1 1 1      17   20   16 o    8.070000      0.2462000       7.849000 0.3079000       8.291000      0.3843000     -0.4416000      0.4925000
  1 1 1      17   20   17 o    5.664000      0.2687000       5.990000 0.3329000       5.338000      0.4219000      0.6520000      0.5374000
  1 1 1      17   20   18 o    2.065000      0.4826000       1.579000 0.6330000       2.551000      0.7286000     -0.9724000      0.9652000
  1 1 1      17   20   19 o    10.01000      0.2469000       9.597000 0.3227000       10.41000      0.3737000     -0.8179000      0.4938000
  1 1 1      17   20   20 o    5.154000      0.2928000       5.454000 0.3803000       4.855000      0.4452000      0.5995000      0.5856000
  1 1 1      17   20   21 o    2.309000      0.4945000       1.801000 0.7042000       2.817000      0.6945000      -1.016000      0.9890000
  1 1 1      17   20   22 o    3.531000      0.4507000       4.399000 0.4884000       2.663000      0.7577000       1.736000      0.9015000
  1 1 1      17   20   23 o    8.969000      0.2744000       8.444000 0.3547000       9.493000      0.4188000      -1.049000      0.5489000
  1 1 1      17   20   24 o    1.706000      0.5178000       1.627000 0.7117000       1.784000      0.7524000     -0.1577000       1.036000
  1 1 1      17   20   25 o    3.257000      0.5297000       3.077000 0.7924000       3.437000      0.7032000     -0.3605000       1.059000
  1 1 1      17   20   26 o    2.980000      0.6492000       2.094000 0.9264000       3.866000      0.9098000      -1.772000       1.298000
  1 1 1      17   20   27 o    2.797000      0.7966000       2.823000 1.127000       2.770000       1.126000      0.5312000E-01   1.593000
  1 1 1      17   20   28 o    2.797000      0.8188000       2.853000 1.187000       2.740000       1.128000      0.1136000       1.638000
  1 1 1      17   20   29 o    2.375000      0.7583000       2.584000 1.136000       2.166000       1.005000      0.4174000       1.517000
  1 1 1      17   20   30 o    3.092000      0.8616000       2.904000 1.219000       3.281000       1.218000     -0.3771000       1.723000
  1 1 1      17   20   31 o    2.212000      0.6352000       2.193000 0.9048000       2.231000      0.8918000     -0.3790000E-01   1.270000
  1 1 1      17   21    0 o    6.188000      0.2462000       6.241000 0.3618000       6.135000      0.3340000      0.1057000      0.4924000
  1 1 1      17   21    1 o    5.399000      0.2624000       5.295000 0.3970000       5.504000      0.3432000     -0.2091000      0.5248000
  1 1 1      17   21    3 o    7.292000      0.2767000       6.750000 0.4189000       7.833000      0.3617000      -1.083000      0.5534000
  1 1 1      17   21    4 o    7.074000      0.4145000       7.074000 0.4145000                  ?              ?              ?              ?
  1 1 1      17   21    5 o    1.848000      0.4098000       1.334000 0.5742000       2.361000      0.5848000      -1.026000      0.8196000
  1 1 1      17   21    6 f    8.768000      0.2845000                  ?       ?   8.768000      0.2845000                  ?              ?
  1 1 1      17   21    7 o    7.413000      0.2009000       7.407000 0.2916000       7.418000      0.2763000     -0.1075000E-01  0.4017000
  1 1 1      17   21    8 o    4.894000      0.2325000       4.739000 0.3604000       5.048000      0.2938000     -0.3081000      0.4650000
  1 1 1      17   21    9 o    4.677000      0.2399000       4.439000 0.3539000       4.915000      0.3239000     -0.4763000      0.4797000
  1 1 1      17   21   10 f    2.473000      0.4006000       2.822000 0.4939000       2.125000      0.6310000      0.6974000      0.8013000
  1 1 1      17   21   11 o    5.302000      0.2711000       5.012000 0.4649000       5.592000      0.2792000     -0.5796000      0.5423000
  1 1 1      17   21   12 o    7.803000      0.2873000       8.378000 0.3667000       7.228000      0.4423000       1.150000      0.5746000
  1 1 1      17   21   13 o    6.005000      0.3102000       6.643000 0.3574000       5.367000      0.5071000       1.276000      0.6204000
  1 1 1      17   21   14 o    1.785000      0.4980000       2.063000 0.7246000       1.508000      0.6833000      0.5548000      0.9960000
  1 1 1      17   21   15 o    10.39000      0.2726000       10.47000 0.3738000       10.32000      0.3970000      0.1548000      0.5453000
  1 1 1      17   21   16 o    1.961000      0.4946000       2.331000 0.6990000       1.591000      0.6999000      0.7393000      0.9892000
  1 1 1      17   21   17 o    1.828000      0.4964000       1.980000 0.6900000       1.677000      0.7140000      0.3030000      0.9929000
  1 1 1      17   21   18 o    4.803000      0.3291000       5.087000 0.4016000       4.520000      0.5215000      0.5674000      0.6582000
  1 1 1      17   21   19 o    1.853000      0.5039000       2.155000 0.7386000       1.551000      0.6855000      0.6032000       1.008000
  1 1 1      17   21   20 o    2.148000      0.5346000       1.931000 0.7422000       2.364000      0.7696000     -0.4322000       1.069000
  1 1 1      17   21   21 o    3.351000      0.4938000       3.883000 0.6168000       2.819000      0.7713000       1.064000      0.9876000
  1 1 1      17   21   22 f    5.891000      0.3462000       5.437000 0.5204000       6.346000      0.4566000     -0.9091000      0.6923000
  1 1 1      17   21   23 f    2.057000      0.5934000       2.548000 0.9396000       1.566000      0.7248000      0.9816000       1.187000
  1 1 1      17   21   24 o    7.361000      0.2608000       7.253000 0.3693000       7.468000      0.3685000     -0.2148000      0.5217000
  1 1 1      17   21   25 o    5.055000      0.3675000       5.287000 0.5197000       4.824000      0.5199000      0.4624000      0.7351000
  1 1 1      17   21   26 f    2.824000      0.5745000       2.372000 0.8514000       3.276000      0.7715000     -0.9043000       1.149000
  1 1 1      17   21   27 o    2.216000      0.6032000       1.891000 0.8175000       2.541000      0.8871000     -0.6500000       1.206000
  1 1 1      17   21   28 o    2.493000      0.6331000       2.625000 0.9314000       2.361000      0.8579000      0.2640000       1.266000
  1 1 1      17   21   29 o    3.046000      0.6175000       2.509000 0.9431000       3.584000      0.7973000      -1.076000       1.235000
  1 1 1      17   21   30 o    3.346000      0.6469000       2.910000 0.9874000       3.782000      0.8362000     -0.8723000       1.294000
  1 1 1      17   22    0 o    5.926000      0.2523000       6.174000 0.3721000       5.677000      0.3407000      0.4966000      0.5045000
  1 1 1      17   22    1 o    3.132000      0.4113000       3.020000 0.6066000       3.244000      0.5557000     -0.2246000      0.8227000
  1 1 1      17   22    2 o    7.960000      0.2240000       7.743000 0.3171000       8.176000      0.3164000     -0.4339000      0.4479000
  1 1 1      17   22    3 f    6.075000      0.2341000       6.262000 0.3400000       5.889000      0.3220000      0.3728000      0.4682000
  1 1 1      17   22    4 o    4.606000      0.3891000       4.606000 0.3891000                  ?              ?              ?              ?
  1 1 1      17   22    5 o    5.587000      0.2402000       5.683000 0.3378000       5.491000      0.3415000      0.1924000      0.4804000
  1 1 1      17   22    6 o    6.695000      0.3340000                  ?       ?   6.695000      0.3340000                  ?              ?
  1 1 1      17   22    7 o    3.874000      0.3636000       4.292000 0.5316000       3.456000      0.4962000      0.8354000      0.7272000
  1 1 1      17   22    8 o    11.03000      0.2676000       10.71000 0.3854000       11.36000      0.3712000     -0.6486000      0.5351000
  1 1 1      17   22    9 o    4.653000      0.3130000       4.548000 0.4565000       4.758000      0.4282000     -0.2101000      0.6259000
  1 1 1      17   22   10 o    8.228000      0.2509000       8.448000 0.3546000       8.007000      0.3551000      0.4412000      0.5018000
  1 1 1      17   22   11 o    6.205000      0.3151000       6.469000 0.4145000       5.942000      0.4749000      0.5273000      0.6303000
  1 1 1      17   22   12 o    3.035000      0.4142000       3.528000 0.4404000       2.542000      0.7015000      0.9862000      0.8283000
  1 1 1      17   22   13 o    4.036000      0.3437000       4.039000 0.4050000       4.033000      0.5554000      0.6644000E-02  0.6873000
  1 1 1      17   22   14 o    2.049000      0.4990000       1.384000 0.6182000       2.715000      0.7836000      -1.331000      0.9981000
  1 1 1      17   22   15 o    7.657000      0.2572000       8.006000 0.3222000       7.309000      0.4009000      0.6968000      0.5144000
  1 1 1      17   22   16 o    2.271000      0.4989000       2.712000 0.6678000       1.830000      0.7414000      0.8815000      0.9978000
  1 1 1      17   22   17 o    3.232000      0.4563000       3.037000 0.6243000       3.428000      0.6657000     -0.3906000      0.9126000
  1 1 1      17   22   18 o    1.568000      0.4755000       1.413000 0.6293000       1.723000      0.7131000     -0.3105000      0.9510000
  1 1 1      17   22   19 o    3.277000      0.4836000       3.297000 0.6698000       3.257000      0.6977000      0.4017000E-01  0.9672000
  1 1 1      17   22   20 o    1.774000      0.5211000       1.752000 0.7293000       1.796000      0.7446000     -0.4431000E-01   1.042000
  1 1 1      17   22   21 o    3.952000      0.4281000       3.683000 0.6524000       4.220000      0.5546000     -0.5370000      0.8563000
  1 1 1      17   22   22 o    2.028000      0.5648000       2.209000 0.8197000       1.847000      0.7772000      0.3623000       1.130000
  1 1 1      17   22   23 o    4.948000      0.3527000       4.704000 0.5192000       5.191000      0.4777000     -0.4869000      0.7055000
  1 1 1      17   22   24 o    3.648000      0.6921000       4.409000 0.8916000       2.888000       1.059000       1.521000       1.384000
  1 1 1      17   22   25 o    6.812000      0.4602000       6.915000 0.6611000       6.709000      0.6405000      0.2065000      0.9205000
  1 1 1      17   22   26 o    4.155000      0.6404000       4.250000 0.9386000       4.059000      0.8714000      0.1917000       1.281000
  1 1 1      17   22   27 o    2.938000      0.6286000       4.220000 0.9806000       1.655000      0.7868000       2.565000       1.257000
  1 1 1      17   22   28 o    2.022000      0.6361000       2.338000 0.9862000       1.706000      0.8037000      0.6317000       1.272000
  1 1 1      17   22   29 o    2.373000      0.6759000       2.966000 1.069000       1.780000      0.8268000       1.186000       1.352000
  1 1 1      17   23    0 o    2.147000      0.5049000       2.608000 0.7419000       1.687000      0.6850000      0.9215000       1.010000
  1 1 1      17   23    1 o    6.906000      0.2313000       6.867000 0.3328000       6.946000      0.3212000     -0.7918000E-01  0.4625000
  1 1 1      17   23    2 o    1.684000      0.4552000       1.367000 0.6102000       2.001000      0.6757000     -0.6338000      0.9105000
  1 1 1      17   23    3 o    3.194000      0.3782000       3.373000 0.5133000       3.015000      0.5556000      0.3581000      0.7564000
  1 1 1      17   23    4 o    4.643000      0.2597000       4.805000 0.3809000       4.480000      0.3531000      0.3250000      0.5194000
  1 1 1      17   23    5 o    6.646000      0.2252000       6.762000 0.3248000       6.530000      0.3120000      0.2313000      0.4504000
  1 1 1      17   23    6 o    3.078000      0.3580000       2.548000 0.5803000       3.608000      0.4193000      -1.060000      0.7160000
  1 1 1      17   23    7 o    1.325000      0.4077000       1.517000 0.6224000       1.134000      0.5267000      0.3834000      0.8153000
  1 1 1      17   23    8 o    6.205000      0.2221000       6.373000 0.3080000       6.038000      0.3201000      0.3344000      0.4442000
  1 1 1      17   23    9 o    8.494000      0.1954000       8.716000 0.2700000       8.271000      0.2825000      0.4450000      0.3907000
  1 1 1      17   23   10 o    10.29000      0.2072000       10.80000 0.2816000       9.772000      0.3041000       1.026000      0.4145000
  1 1 1      17   23   11 o    1.871000      0.4609000       2.325000 0.6648000       1.417000      0.6385000      0.9080000      0.9218000
  1 1 1      17   23   12 o    3.774000      0.3483000       3.820000 0.4435000       3.729000      0.5372000      0.9155000E-01  0.6966000
  1 1 1      17   23   13 o    3.914000      0.4418000       4.769000 0.4122000       3.058000      0.7816000       1.711000      0.8836000
  1 1 1      17   23   14 o    5.300000      0.7273000       5.082000 0.3957000       5.519000       1.400000     -0.4371000       1.455000
  1 1 1      17   23   15 f    2.451000      0.7409000       2.938000 1.123000       1.964000      0.9671000      0.9736000       1.482000
  1 1 1      17   23   16 o    3.752000      0.9589000       3.485000 1.349000       4.019000       1.363000     -0.5333000       1.918000
  1 1 1      17   23   17 o    3.046000      0.8789000       2.823000 1.199000       3.270000       1.286000     -0.4466000       1.758000
  1 1 1      17   23   18 o    2.820000      0.8697000       2.545000 1.168000       3.094000       1.289000     -0.5492000       1.739000
  1 1 1      17   23   19 o    5.171000      0.6801000       5.633000 0.4453000       4.710000       1.285000      0.9231000       1.360000
  1 1 1      17   23   20 o    1.712000      0.5157000       1.661000 0.7247000       1.763000      0.7339000     -0.1026000       1.031000
  1 1 1      17   23   21 o    1.685000      0.5163000       1.414000 0.6627000       1.957000      0.7920000     -0.5435000       1.033000
  1 1 1      17   23   22 o    1.487000      0.4979000       1.425000 0.6787000       1.548000      0.7288000     -0.1232000      0.9958000
  1 1 1      17   23   23 o    2.407000      0.6305000       2.320000 0.8790000       2.494000      0.9040000     -0.1740000       1.261000
  1 1 1      17   23   24 o    1.849000      0.5717000       1.911000 0.8165000       1.787000      0.8006000      0.1238000       1.143000
  1 1 1      17   23   25 o    4.593000      0.4974000       5.225000 0.6212000       3.961000      0.7771000       1.264000      0.9949000
  1 1 1      17   23   26 o    2.640000      0.6531000       3.045000 0.9537000       2.235000      0.8925000      0.8108000       1.306000
  1 1 1      17   23   27 o    3.390000      0.6581000       3.701000 0.9332000       3.079000      0.9283000      0.6218000       1.316000
  1 1 1      17   23   28 o    3.008000      0.6502000       3.781000 0.9394000       2.236000      0.8992000       1.545000       1.300000
  1 1 1      17   23   29 o    2.816000      0.6895000       2.797000 0.9904000       2.834000      0.9595000     -0.3774000E-01   1.379000
  1 1 1      17   24    0 o    7.508000      0.2377000       7.327000 0.3615000       7.690000      0.3086000     -0.3633000      0.4753000
  1 1 1      17   24    1 o    1.789000      0.4368000       1.170000 0.5602000       2.407000      0.6705000      -1.238000      0.8737000
  1 1 1      17   24    2 o    4.287000      0.3164000       4.626000 0.4327000       3.949000      0.4618000      0.6774000      0.6328000
  1 1 1      17   24    3 o    6.397000      0.2313000       6.144000 0.3286000       6.650000      0.3254000     -0.5065000      0.4625000
  1 1 1      17   24    4 o    1.353000      0.4137000       1.695000 0.6662000       1.012000      0.4906000      0.6828000      0.8273000
  1 1 1      17   24    5 o    4.628000      0.2778000       4.875000 0.3776000       4.380000      0.4076000      0.4950000      0.5556000
  1 1 1      17   24    6 o    2.046000      0.3980000       1.192000 0.5629000       2.900000      0.5628000      -1.708000      0.7959000
  1 1 1      17   24    7 o    12.32000      0.2183000       12.25000 0.3061000       12.39000      0.3113000     -0.1378000      0.4366000
  1 1 1      17   24    8 o    1.769000      0.4719000       1.916000 0.6767000       1.622000      0.6578000      0.2945000      0.9437000
  1 1 1      17   24    9 o    7.153000      0.2170000       7.202000 0.2924000       7.105000      0.3208000      0.9747000E-01  0.4341000
  1 1 1      17   24   10 o    2.776000      0.4831000       2.764000 0.6175000       2.789000      0.7430000     -0.2513000E-01  0.9661000
  1 1 1      17   24   11 o    4.891000      0.2857000       4.632000 0.3896000       5.150000      0.4179000     -0.5186000      0.5714000
  1 1 1      17   24   12 o    7.042000      0.2504000       6.962000 0.3106000       7.122000      0.3928000     -0.1594000      0.5007000
  1 1 1      17   24   13 o    5.001000      0.3386000       4.876000 0.4191000       5.125000      0.5318000     -0.2496000      0.6771000
  1 1 1      17   24   14 o    2.994000      0.5179000       2.698000 0.6593000       3.291000      0.7989000     -0.5932000       1.036000
  1 1 1      17   24   15 o    5.182000      0.3342000       5.391000 0.3856000       4.974000      0.5460000      0.4162000      0.6684000
  1 1 1      17   24   16 o    3.925000      0.4344000       4.502000 0.4287000       3.349000      0.7556000       1.153000      0.8687000
  1 1 1      17   24   17 o    9.887000      0.2695000       9.812000 0.3450000       9.962000      0.4142000     -0.1501000      0.5390000
  1 1 1      17   24   18 o    7.397000      0.2953000       7.142000 0.4037000       7.653000      0.4311000     -0.5109000      0.5906000
  1 1 1      17   24   19 o    2.433000      0.5750000       2.350000 0.7837000       2.516000      0.8416000     -0.1652000       1.150000
  1 1 1      17   24   20 o    1.615000      0.4883000       1.999000 0.7687000       1.230000      0.6025000      0.7695000      0.9766000
  1 1 1      17   24   21 o    1.977000      0.5598000       2.263000 0.8219000       1.691000      0.7602000      0.5713000       1.120000
  1 1 1      17   24   22 o    2.387000      0.6327000       2.543000 0.8913000       2.231000      0.8981000      0.3128000       1.265000
  1 1 1      17   24   23 o    2.217000      0.6143000       1.760000 0.7900000       2.673000      0.9409000     -0.9132000       1.229000
  1 1 1      17   24   24 o    2.987000      0.6575000       3.261000 0.9160000       2.713000      0.9435000      0.5477000       1.315000
  1 1 1      17   24   25 o    2.406000      0.6263000       2.883000 0.9168000       1.930000      0.8535000      0.9537000       1.253000
  1 1 1      17   24   26 o    2.046000      0.6220000       2.193000 0.9101000       1.899000      0.8482000      0.2943000       1.244000
  1 1 1      17   24   27 o    2.227000      0.6237000       1.786000 0.8172000       2.668000      0.9425000     -0.8817000       1.247000
  1 1 1      17   24   28 o    2.933000      0.6860000       2.538000 0.9861000       3.328000      0.9540000     -0.7907000       1.372000
  1 1 1      17   25    0 o    5.054000      0.2838000       5.360000 0.3958000       4.749000      0.4070000      0.6111000      0.5677000
  1 1 1      17   25    1 o    5.823000      0.2732000       5.753000 0.4125000       5.893000      0.3585000     -0.1402000      0.5465000
  1 1 1      17   25    2 o    2.403000      0.4830000       2.920000 0.6691000       1.886000      0.6968000       1.033000      0.9661000
  1 1 1      17   25    3 o    3.724000      0.3398000       3.640000 0.4970000       3.808000      0.4634000     -0.1683000      0.6796000
  1 1 1      17   25    4 o    4.639000      0.2783000       4.664000 0.3917000       4.613000      0.3953000      0.5084000E-01  0.5565000
  1 1 1      17   25    5 o    3.060000      0.4174000       3.418000 0.5431000       2.702000      0.6340000      0.7162000      0.8348000
  1 1 1      17   25    6 o    2.286000      0.4798000       1.920000 0.6939000       2.652000      0.6629000     -0.7324000      0.9597000
  1 1 1      17   25    7 o    7.990000      0.2124000       7.657000 0.2939000       8.324000      0.3067000     -0.6671000      0.4248000
  1 1 1      17   25    8 o    5.611000      0.2550000       5.372000 0.3641000       5.850000      0.3573000     -0.4785000      0.5101000
  1 1 1      17   25    9 o    2.755000      0.4657000       2.569000 0.6552000       2.942000      0.6621000     -0.3726000      0.9315000
  1 1 1      17   25   10 f    11.38000      0.2225000       11.32000 0.3019000       11.44000      0.3270000     -0.1198000      0.4451000
  1 1 1      17   25   11 o    5.253000      0.3052000       5.656000 0.3478000       4.850000      0.5016000      0.8057000      0.6104000
  1 1 1      17   25   12 o    1.836000      0.5181000       1.775000 0.6919000       1.896000      0.7714000     -0.1204000       1.036000
  1 1 1      17   25   13 o    1.931000      0.5329000       1.961000 0.7047000       1.901000      0.7994000      0.5958000E-01   1.066000
  1 1 1      17   25   14 o    2.186000      0.5450000       1.956000 0.7139000       2.417000      0.8237000     -0.4607000       1.090000
  1 1 1      17   25   15 f    1.627000      0.4995000       1.575000 0.6759000       1.678000      0.7357000     -0.1038000      0.9990000
  1 1 1      17   25   16 o    2.119000      0.5415000       2.315000 0.7310000       1.923000      0.7990000      0.3915000       1.083000
  1 1 1      17   25   17 o    2.857000      0.5649000       2.859000 0.7732000       2.854000      0.8239000      0.5399000E-02   1.130000
  1 1 1      17   25   18 o    2.629000      0.5511000       3.297000 0.7418000       1.961000      0.8151000       1.336000       1.102000
  1 1 1      17   25   19 o    2.103000      0.5689000       2.337000 0.8130000       1.869000      0.7961000      0.4684000       1.138000
  1 1 1      17   25   20 o    2.048000      0.5764000       2.066000 0.7930000       2.031000      0.8368000      0.3569000E-01   1.153000
  1 1 1      17   25   21 o    3.524000      0.5670000       4.483000 0.6646000       2.565000      0.9188000       1.918000       1.134000
  1 1 1      17   25   22 o    4.927000      0.4800000       5.102000 0.6050000       4.752000      0.7454000      0.3497000      0.9600000
  1 1 1      17   25   23 o    3.502000      0.6592000       3.599000 0.8761000       3.404000      0.9852000      0.1949000       1.318000
  1 1 1      17   25   24 o    2.530000      0.5982000       3.303000 0.8789000       1.757000      0.8118000       1.546000       1.196000
  1 1 1      17   25   25 o    2.002000      0.6140000       1.844000 0.8201000       2.159000      0.9140000     -0.3152000       1.228000
  1 1 1      17   25   26 o    2.077000      0.6261000       2.095000 0.8875000       2.059000      0.8835000      0.3567000E-01   1.252000
  1 1 1      17   25   27 o    2.675000      0.6929000       2.487000 0.9783000       2.862000      0.9815000     -0.3749000       1.386000
  1 1 1      17   26    0 o    4.331000      0.3383000       3.901000 0.5394000       4.761000      0.4084000     -0.8596000      0.6766000
  1 1 1      17   26    1 o    4.593000      0.3300000       5.206000 0.4466000       3.980000      0.4860000       1.227000      0.6600000
  1 1 1      17   26    2 o    1.825000      0.4872000       1.953000 0.7034000       1.696000      0.6744000      0.2571000      0.9745000
  1 1 1      17   26    3 o    5.419000      0.2623000       5.250000 0.3991000       5.588000      0.3405000     -0.3379000      0.5246000
  1 1 1      17   26    4 o    7.132000      0.2263000       7.754000 0.3100000       6.509000      0.3299000       1.246000      0.4527000
  1 1 1      17   26    5 o    4.752000      0.4108000       4.752000 0.4108000                  ?              ?              ?              ?
  1 1 1      17   26    6 o    9.288000      0.2162000       9.203000 0.2999000       9.373000      0.3114000     -0.1692000      0.4323000
  1 1 1      17   26    7 o    7.301000      0.3278000                  ?       ?   7.301000      0.3278000                  ?              ?
  1 1 1      17   26    8 o    6.922000      0.2331000       6.737000 0.3290000       7.106000      0.3302000     -0.3697000      0.4661000
  1 1 1      17   26    9 f    1.422000      0.4564000       1.228000 0.5723000       1.616000      0.7112000     -0.3879000      0.9129000
  1 1 1      17   26   10 f    4.999000      0.3190000       5.345000 0.3675000       4.652000      0.5215000      0.6923000      0.6380000
  1 1 1      17   26   11 o    3.150000      0.4864000       3.120000 0.6233000       3.179000      0.7470000     -0.5976000E-01  0.9728000
  1 1 1      17   26   12 o    2.477000      0.5783000       2.322000 0.7410000       2.631000      0.8880000     -0.3090000       1.157000
  1 1 1      17   26   13 o    4.474000      0.3959000       4.860000 0.4212000       4.089000      0.6704000      0.7713000      0.7918000
  1 1 1      17   26   14 o    2.524000      0.5713000       2.023000 0.7421000       3.026000      0.8689000      -1.004000       1.143000
  1 1 1      17   26   15 o    4.259000      0.4318000       3.960000 0.5873000       4.559000      0.6333000     -0.5996000      0.8637000
  1 1 1      17   26   16 o    3.169000      0.5436000       3.753000 0.6215000       2.586000      0.8922000       1.167000       1.087000
  1 1 1      17   26   17 o    6.322000      0.3250000       6.175000 0.4395000       6.469000      0.4790000     -0.2936000      0.6501000
  1 1 1      17   26   18 o    6.657000      0.3432000       6.570000 0.4279000       6.744000      0.5366000     -0.1744000      0.6863000
  1 1 1      17   26   19 f    1.609000      0.5202000       1.657000 0.7393000       1.561000      0.7320000      0.9549000E-01   1.040000
  1 1 1      17   26   20 o    2.068000      0.5990000       1.703000 0.7663000       2.434000      0.9209000     -0.7303000       1.198000
  1 1 1      17   26   21 o    3.700000      0.6191000       4.062000 0.8026000       3.337000      0.9428000      0.7253000       1.238000
  1 1 1      17   26   22 o    3.516000      0.6600000       3.265000 0.9534000       3.766000      0.9128000     -0.5006000       1.320000
  1 1 1      17   26   23 o    3.611000      0.6915000       3.596000 0.9286000       3.627000       1.025000     -0.3159000E-01   1.383000
  1 1 1      17   26   24 o    2.696000      0.6718000       2.166000 0.8989000       3.226000      0.9987000      -1.060000       1.344000
  1 1 1      17   26   25 o    2.421000      0.6612000       2.678000 0.9590000       2.164000      0.9104000      0.5141000       1.322000
  1 1 1      17   26   26 o    2.074000      0.6255000       2.396000 0.9532000       1.753000      0.8101000      0.6426000       1.251000
  1 1 1      17   27    0 o    2.991000      0.4835000       2.888000 0.7651000       3.094000      0.5913000     -0.2057000      0.9670000
  1 1 1      17   27    1 o    5.056000      0.3023000       5.252000 0.4273000       4.860000      0.4276000      0.3917000      0.6045000
  1 1 1      17   27    2 o    10.43000      0.2221000       10.58000 0.3112000       10.28000      0.3169000      0.2974000      0.4442000
  1 1 1      17   27    3 f    6.034000      0.2559000       5.957000 0.3816000       6.110000      0.3411000     -0.1529000      0.5118000
  1 1 1      17   27    4 o    5.783000      0.2697000       5.447000 0.4005000       6.119000      0.3612000     -0.6722000      0.5394000
  1 1 1      17   27    5 o    8.133000      0.2948000       8.133000 0.2948000                  ?              ?              ?              ?
  1 1 1      17   27    6 o    3.901000      0.3478000       3.774000 0.5071000       4.027000      0.4761000     -0.2534000      0.6956000
  1 1 1      17   27    7 o    8.854000      0.3294000                  ?       ?   8.854000      0.3294000                  ?              ?
  1 1 1      17   27    8 o    3.391000      0.4682000       2.834000 0.6869000       3.948000      0.6364000      -1.114000      0.9364000
  1 1 1      17   27    9 o    1.412000      0.4593000       1.134000 0.5444000       1.689000      0.7398000     -0.5549000      0.9185000
  1 1 1      17   27   10 o    1.601000      0.4882000       1.679000 0.6888000       1.522000      0.6920000      0.1567000      0.9764000
  1 1 1      17   27   11 o    2.756000      0.5719000       2.625000 0.7236000       2.886000      0.8859000     -0.2608000       1.144000
  1 1 1      17   27   12 o    1.894000      0.5189000       2.223000 0.7352000       1.566000      0.7325000      0.6573000       1.038000
  1 1 1      17   27   13 o    2.746000      0.5720000       2.525000 0.7548000       2.968000      0.8596000     -0.4434000       1.144000
  1 1 1      17   27   14 o    4.381000      0.4404000       4.327000 0.5459000       4.435000      0.6913000     -0.1087000      0.8808000
  1 1 1      17   27   15 o    4.434000      0.4686000       4.754000 0.5606000       4.114000      0.7510000      0.6401000      0.9372000
  1 1 1      17   27   16 o    4.527000      0.4977000       5.361000 0.5177000       3.693000      0.8502000       1.668000      0.9954000
  1 1 1      17   27   17 o    3.893000      0.5406000       4.565000 0.5940000       3.221000      0.9034000       1.344000       1.081000
  1 1 1      17   27   18 o    3.326000      0.6076000       3.920000 0.7418000       2.731000      0.9626000       1.190000       1.215000
  1 1 1      17   27   19 o    2.669000      0.6516000       2.582000 0.8968000       2.756000      0.9456000     -0.1739000       1.303000
  1 1 1      17   27   20 f    5.478000      0.4629000       5.835000 0.5679000       5.121000      0.7311000      0.7147000      0.9258000
  1 1 1      17   27   21 o    1.763000      0.5717000       2.007000 0.8756000       1.518000      0.7353000      0.4893000       1.143000
  1 1 1      17   27   22 o    2.507000      0.6885000       2.243000 0.9188000       2.771000       1.026000     -0.5275000       1.377000
  1 1 1      17   27   23 f    4.447000      0.6129000       3.571000 0.9620000       5.324000      0.7597000      -1.753000       1.226000
  1 1 1      17   27   24 o    2.164000      0.6462000       2.211000 0.9217000       2.118000      0.9060000      0.9288000E-01   1.292000
  1 1 1      17   27   25 o    3.093000      0.7032000       2.714000 0.9803000       3.472000       1.009000     -0.7585000       1.406000
  1 1 1      17   28    0 o    3.560000      0.4424000       3.026000 0.7379000       4.094000      0.4883000      -1.068000      0.8848000
  1 1 1      17   28    1 o    2.552000      0.4533000       1.812000 0.7208000       3.292000      0.5500000      -1.480000      0.9066000
  1 1 1      17   28    2 o    3.849000      0.3840000       4.165000 0.5275000       3.533000      0.5581000      0.6318000      0.7679000
  1 1 1      17   28    3 o    3.508000      0.4136000       4.014000 0.4818000       3.002000      0.6723000       1.013000      0.8271000
  1 1 1      17   28    4 o    4.545000      0.3253000       4.498000 0.4741000       4.593000      0.4456000     -0.9468000E-01  0.6507000
  1 1 1      17   28    5 o    1.727000      0.4830000       1.556000 0.6774000       1.897000      0.6887000     -0.3412000      0.9660000
  1 1 1      17   28    6 o    6.305000      0.2774000       6.447000 0.3660000       6.164000      0.4170000      0.2827000      0.5548000
  1 1 1      17   28    7 f    2.818000      0.4890000       2.664000 0.6048000       2.971000      0.7686000     -0.3068000      0.9781000
  1 1 1      17   28    8 o    5.252000      0.3340000       5.467000 0.4216000       5.036000      0.5181000      0.4313000      0.6680000
  1 1 1      17   28    9 f    3.110000      0.5331000       3.238000 0.6605000       2.982000      0.8370000      0.2555000       1.066000
  1 1 1      17   28   10 o    1.586000      0.5057000       1.513000 0.6707000       1.660000      0.7570000     -0.1471000       1.011000
  1 1 1      17   28   11 o    2.791000      0.5927000       2.994000 0.7206000       2.589000      0.9411000      0.4052000       1.185000
  1 1 1      17   28   12 o    2.341000      0.5807000       2.473000 0.7591000       2.209000      0.8791000      0.2636000       1.161000
  1 1 1      17   28   13 f    2.121000      0.5717000       1.657000 0.7186000       2.586000      0.8894000     -0.9291000       1.143000
  1 1 1      17   28   14 o    2.364000      0.5909000       2.725000 0.8264000       2.003000      0.8447000      0.7222000       1.182000
  1 1 1      17   28   15 o    3.122000      0.6060000       3.151000 0.7783000       3.093000      0.9290000      0.5807000E-01   1.212000
  1 1 1      17   28   16 o    2.757000      0.6390000       2.590000 0.8730000       2.924000      0.9333000     -0.3345000       1.278000
  1 1 1      17   28   17 o    3.579000      0.6151000       3.557000 0.8531000       3.600000      0.8864000     -0.4317000E-01   1.230000
  1 1 1      17   28   18 o    5.757000      0.4279000       6.566000 0.5067000       4.948000      0.6897000       1.619000      0.8558000
  1 1 1      17   28   19 o    3.196000      0.6837000       3.547000 0.9160000       2.845000       1.015000      0.7019000       1.367000
  1 1 1      17   28   20 o    2.308000      0.6555000       1.778000 0.8126000       2.838000       1.029000      -1.060000       1.311000
  1 1 1      17   28   21 o    3.985000      0.6591000       4.667000 0.7666000       3.304000       1.072000       1.363000       1.318000
  1 1 1      17   28   22 o    2.583000      0.6787000       2.884000 0.9443000       2.282000      0.9752000      0.6022000       1.357000
  1 1 1      17   28   23 o    1.976000      0.6282000       2.091000 0.9092000       1.861000      0.8672000      0.2303000       1.256000
  1 1 1      17   28   24 o    2.859000      0.7048000       2.933000 0.9860000       2.784000       1.007000      0.1490000       1.410000
  1 1 1      17   29    0 o    4.423000      0.6563000       5.409000 0.6391000       3.438000       1.146000       1.972000       1.313000
  1 1 1      17   29    1 o    3.448000      0.7202000       3.481000 0.9253000       3.415000       1.104000      0.6569000E-01   1.440000
  1 1 1      17   29    2 o    2.665000      0.7228000       2.695000 0.9646000       2.636000       1.077000      0.5934000E-01   1.446000
  1 1 1      17   29    3 o    3.948000      0.6678000       2.708000 0.9410000       5.189000      0.9476000      -2.481000       1.336000
  1 1 1      17   29    4 o    2.451000      0.6688000       2.616000 0.8746000       2.287000       1.012000      0.3290000       1.338000
  1 1 1      17   29    5 o    2.590000      0.5383000       3.268000 0.5976000       1.913000      0.8954000       1.356000       1.077000
  1 1 1      17   29    6 o    4.781000      0.3576000       4.781000 0.4440000       4.781000      0.5607000     -0.6695000E-03  0.7152000
  1 1 1      17   29    7 o    1.645000      0.5078000       1.292000 0.6157000       1.999000      0.8076000     -0.7068000       1.016000
  1 1 1      17   29    8 o    2.656000      0.5805000       2.911000 0.7558000       2.401000      0.8812000      0.5098000       1.161000
  1 1 1      17   29    9 o    3.534000      0.5355000       3.727000 0.6212000       3.341000      0.8724000      0.3865000       1.071000
  1 1 1      17   29   10 o    4.517000      0.4640000       4.663000 0.5112000       4.370000      0.7746000      0.2929000      0.9280000
  1 1 1      17   29   11 o    3.055000      0.6048000       3.406000 0.7151000       2.703000      0.9756000      0.7026000       1.210000
  1 1 1      17   29   12 o    1.704000      0.5383000       1.751000 0.7534000       1.657000      0.7690000      0.9319000E-01   1.077000
  1 1 1      17   29   13 o    2.364000      0.6121000       2.292000 0.8008000       2.436000      0.9258000     -0.1436000       1.224000
  1 1 1      17   29   14 o    2.165000      0.5688000       2.627000 0.8175000       1.704000      0.7912000      0.9230000       1.138000
  1 1 1      17   29   15 o    2.413000      0.6311000       2.073000 0.8087000       2.753000      0.9691000     -0.6805000       1.262000
  1 1 1      17   29   16 o    2.298000      0.6347000       2.057000 0.8260000       2.538000      0.9639000     -0.4815000       1.269000
  1 1 1      17   29   17 o    3.188000      0.6759000       3.703000 0.8902000       2.673000       1.017000       1.030000       1.352000
  1 1 1      17   29   18 o    3.121000      0.7036000       3.495000 0.9395000       2.748000       1.048000      0.7467000       1.407000
  1 1 1      17   29   19 o    4.199000      0.6113000       5.794000 0.6576000       2.605000       1.031000       3.189000       1.223000
  1 1 1      17   29   20 o    2.704000      0.7032000       3.251000 1.030000       2.158000      0.9573000       1.093000       1.406000
  1 1 1      17   29   21 o    3.170000      0.7395000       2.873000 1.009000       3.468000       1.082000     -0.5944000       1.479000
  1 1 1      17   29   22 o    2.325000      0.6646000       2.627000 0.9679000       2.022000      0.9109000      0.6056000       1.329000
  1 1 1      17   29   23 o    3.717000      0.8534000       3.473000 1.142000       3.962000       1.269000     -0.4893000       1.707000
  1 1 1      17   30    0 o    5.407000      0.3193000       4.937000 0.4567000       5.876000      0.4464000     -0.9396000      0.6386000
  1 1 1      17   30    1 o    2.073000      0.5400000       1.878000 0.7602000       2.268000      0.7671000     -0.3900000       1.080000
  1 1 1      17   30    2 o    5.024000      0.3554000       5.509000 0.4387000       4.540000      0.5593000      0.9698000      0.7108000
  1 1 1      17   30    3 o    5.546000      0.3179000       5.384000 0.4568000       5.708000      0.4422000     -0.3239000      0.6358000
  1 1 1      17   30    4 o    3.857000      0.4245000       3.580000 0.6109000       4.133000      0.5897000     -0.5525000      0.8491000
  1 1 1      17   30    5 o    1.622000      0.5054000       1.760000 0.7487000       1.485000      0.6791000      0.2754000       1.011000
  1 1 1      17   30    6 o    1.527000      0.4938000       1.642000 0.7216000       1.413000      0.6742000      0.2289000      0.9876000
  1 1 1      17   30    7 o    1.789000      0.5466000       1.850000 0.7596000       1.728000      0.7862000      0.1225000       1.093000
  1 1 1      17   30    8 o    2.056000      0.6016000       2.297000 0.9043000       1.815000      0.7937000      0.4826000       1.203000
  1 1 1      17   30    9 o    3.794000      0.6386000       4.633000 0.6708000       2.955000       1.087000       1.677000       1.277000
  1 1 1      17   30   10 o    4.084000      0.6321000       4.405000 0.6595000       3.764000       1.078000      0.6401000       1.264000
  1 1 1      17   30   11 o    1.660000      0.5586000       1.241000 0.6125000       2.078000      0.9344000     -0.8370000       1.117000
  1 1 1      17   30   12 o    3.173000      0.6362000       3.932000 0.7733000       2.414000       1.011000       1.518000       1.272000
  1 1 1      17   30   13 o    4.381000      0.6155000       4.325000 0.7394000       4.437000      0.9842000     -0.1128000       1.231000
  1 1 1      17   30   14 f    3.358000      0.6849000       2.648000 0.9095000       4.067000       1.024000      -1.419000       1.370000
  1 1 1      17   30   15 o    2.428000      0.7016000       2.278000 0.9238000       2.577000       1.056000     -0.2990000       1.403000
  1 1 1      17   30   16 o    2.458000      0.7093000       2.529000 0.9807000       2.388000       1.025000      0.1414000       1.419000
  1 1 1      17   30   17 o    5.046000      0.6212000       5.274000 0.7799000       4.818000      0.9671000      0.4559000       1.242000
  1 1 1      17   30   18 o    3.325000      0.8016000       3.321000 1.065000       3.329000       1.198000     -0.7866000E-02   1.603000
  1 1 1      17   30   19 o    4.393000      0.7437000       3.695000 1.087000       5.091000       1.016000      -1.396000       1.487000
  1 1 1      17   30   20 o    3.591000      0.7644000       3.135000 1.114000       4.047000       1.047000     -0.9126000       1.529000
  1 1 1      17   30   21 o    1.960000      0.6300000       2.113000 0.9194000       1.807000      0.8614000      0.3060000       1.260000
  1 1 1      17   30   22 o    2.137000      0.6686000       1.845000 0.8451000       2.430000       1.036000     -0.5854000       1.337000
  1 1 1      17   31    0 o    2.426000      0.5736000       2.278000 0.8318000       2.574000      0.7901000     -0.2961000       1.147000
  1 1 1      17   31    1 o    1.990000      0.5721000       1.629000 0.7183000       2.351000      0.8907000     -0.7218000       1.144000
  1 1 1      17   31    2 o    3.168000      0.6586000       3.098000 0.9814000       3.238000      0.8786000     -0.1403000       1.317000
  1 1 1      17   31    3 o    5.417000      0.4269000       5.410000 0.6590000       5.424000      0.5430000     -0.1376000E-01  0.8539000
  1 1 1      17   31    4 o    2.084000      0.5891000       1.669000 0.7732000       2.500000      0.8890000     -0.8304000       1.178000
  1 1 1      17   31    5 o    4.454000      0.6074000       4.330000 0.9079000       4.578000      0.8072000     -0.2475000       1.215000
  1 1 1      17   31    6 o    4.606000      0.8471000       4.606000 0.8471000                  ?              ?              ?              ?
  1 1 1      17   31    7 o    4.621000      0.6282000       4.590000 0.8643000       4.652000      0.9118000     -0.6272000E-01   1.256000
  1 1 1      17   31    8 o    2.840000       1.067000                  ?       ?   2.840000       1.067000                  ?              ?
  1 1 1      17   31    9 o    3.253000      0.7554000       3.214000 1.209000       3.292000      0.9058000     -0.7813000E-01   1.511000
  1 1 1      17   31   10 o    3.163000      0.7844000       2.987000 1.264000       3.339000      0.9288000     -0.3512000       1.569000
  1 1 1      17   31   11 o    2.290000      0.6064000       2.533000 0.8252000       2.048000      0.8888000      0.4851000       1.213000
  1 1 1      17   31   12 f    2.425000      0.6554000       2.182000 0.8305000       2.668000       1.014000     -0.4867000       1.311000
  1 1 1      17   31   13 o    3.248000      0.6332000       4.084000 0.7482000       2.412000       1.022000       1.672000       1.266000
  1 1 1      17   31   14 o    2.969000      0.6952000       2.680000 0.9188000       3.258000       1.044000     -0.5776000       1.390000
  1 1 1      17   31   15 o    1.981000      0.6150000       2.107000 0.8689000       1.856000      0.8705000      0.2506000       1.230000
  1 1 1      17   31   16 f    2.630000      0.6768000       2.850000 0.9039000       2.410000       1.007000      0.4399000       1.354000
  1 1 1      17   31   17 o    2.813000      0.8520000       3.549000 1.439000       2.078000      0.9123000       1.472000       1.704000
  1 1 1      17   31   18 o    3.496000       1.017000       3.195000 1.371000       3.796000       1.503000     -0.6010000       2.034000
  1 1 1      17   31   19 o    3.807000       1.035000       4.407000 1.512000       3.208000       1.415000       1.200000       2.071000
  1 1 1      17   31   20 o    3.497000      0.9985000       3.288000 1.414000       3.705000       1.411000     -0.4174000       1.997000
  1 1 1      17   31   21 o    5.004000       1.373000       5.004000 1.373000                  ?              ?              ?              ?
  1 1 1      17   32    0 o    4.445000      0.4527000       4.093000 0.6705000       4.798000      0.6086000     -0.7057000      0.9055000
  1 1 1      17   32    1 o    1.942000      0.5661000       2.252000 0.8551000       1.633000      0.7421000      0.6190000       1.132000
  1 1 1      17   32    2 o    2.397000      0.5740000       3.018000 0.8579000       1.775000      0.7628000       1.243000       1.148000
  1 1 1      17   32    3 o    2.948000      0.5902000       2.362000 0.8613000       3.534000      0.8072000      -1.172000       1.180000
  1 1 1      17   32    4 o    3.851000      0.5462000       2.912000 0.8736000       4.789000      0.6559000      -1.877000       1.092000
  1 1 1      17   32    5 o    2.528000      0.6156000       1.817000 0.7885000       3.240000      0.9456000      -1.423000       1.231000
  1 1 1      17   32    6 o    2.842000      0.8895000       2.842000 0.8895000                  ?              ?              ?              ?
  1 1 1      17   32    7 o    3.594000      0.5512000       4.871000 0.6184000       2.318000      0.9127000       2.552000       1.102000
  1 1 1      17   32    8 o    3.446000       1.013000                  ?       ?   3.446000       1.013000                  ?              ?
  1 1 1      17   32    9 o    2.621000      0.6840000       2.258000 0.9036000       2.984000       1.027000     -0.7268000       1.368000
  1 1 1      17   32   10 o    3.042000      0.6203000       3.982000 0.8324000       2.102000      0.9200000       1.880000       1.241000
  1 1 1      17   32   11 o    1.987000      0.6068000       2.269000 0.9081000       1.705000      0.8050000      0.5644000       1.214000
  1 1 1      17   32   12 o    2.454000      0.7070000       2.236000 0.9033000       2.672000       1.088000     -0.4359000       1.414000
  1 1 1      17   32   13 o    2.914000      0.6899000       3.490000 0.9334000       2.338000       1.016000       1.152000       1.380000
  1 1 1      17   32   14 f    2.846000      0.7494000       2.917000 1.019000       2.775000       1.099000      0.1419000       1.499000
  1 1 1      17   32   15 o    2.459000      0.7279000       2.432000 1.002000       2.486000       1.056000     -0.5339000E-01   1.456000
  1 1 1      17   32   16 o    2.440000      0.7289000       2.437000 1.020000       2.443000       1.041000     -0.5939000E-02   1.458000
  1 1 1      17   32   17 o    2.671000      0.7457000       2.391000 0.9581000       2.950000       1.143000     -0.5589000       1.491000
  1 1 1      17   32   18 o    2.983000      0.7808000       2.792000 1.034000       3.173000       1.170000     -0.3816000       1.562000
  1 1 1      17   32   19 o    2.701000      0.7485000       2.377000 0.9907000       3.024000       1.122000     -0.6470000       1.497000
  1 1 1      17   33    0 o    3.606000      0.5915000       3.429000 0.8075000       3.783000      0.8644000     -0.3550000       1.183000
  1 1 1      17   33    1 o    4.161000      0.5365000       4.522000 0.6357000       3.800000      0.8644000      0.7217000       1.073000
  1 1 1      17   33    2 o    3.134000      0.6429000       3.249000 0.8684000       3.020000      0.9482000      0.2289000       1.286000
  1 1 1      17   33    3 o    2.366000      0.6210000       1.847000 0.8139000       2.885000      0.9381000      -1.038000       1.242000
  1 1 1      17   33    4 o    4.212000      0.5533000       3.892000 0.8088000       4.531000      0.7553000     -0.6389000       1.107000
  1 1 1      17   33    5 o    2.544000      0.6530000       2.730000 0.9018000       2.358000      0.9445000      0.3726000       1.306000
  1 1 1      17   33    6 o    2.979000      0.6334000       2.629000 0.9411000       3.328000      0.8479000     -0.6992000       1.267000
  1 1 1      17   33    7 o    3.835000      0.6184000       4.999000 0.7078000       2.671000       1.014000       2.328000       1.237000
  1 1 1      17   33    8 o    2.928000       1.038000                  ?       ?   2.928000       1.038000                  ?              ?
  1 1 1      17   33    9 o    3.500000      0.6755000       4.020000 0.8399000       2.980000       1.058000       1.040000       1.351000
  1 1 1      17   33   10 o    3.191000      0.7287000       2.848000 0.9583000       3.535000       1.098000     -0.6877000       1.457000
  1 1 1      17   33   11 o    3.562000      0.7159000       4.124000 0.9016000       3.000000       1.112000       1.124000       1.432000
  1 1 1      17   33   12 o    2.049000      0.6513000       1.454000 0.7165000       2.644000       1.088000      -1.189000       1.303000
  1 1 1      17   33   13 o    2.276000      0.6981000       2.399000 1.001000       2.154000      0.9737000      0.2450000       1.396000
  1 1 1      17   33   14 o    2.041000      0.6548000       2.054000 0.9234000       2.027000      0.9285000      0.2700000E-01   1.310000
  1 1 1      17   33   15 o    3.069000      0.7658000       3.297000 1.029000       2.840000       1.134000      0.4577000       1.532000
  1 1 1      17   33   16 o    2.777000      0.7703000       2.689000 1.041000       2.866000       1.136000     -0.1771000       1.541000
  1 1 1      17   33   17 o    3.323000      0.7857000       3.461000 1.056000       3.185000       1.163000      0.2762000       1.571000
  1 1 1      17   34    0 o    5.229000      0.4610000       5.322000 0.6067000       5.136000      0.6943000      0.1867000      0.9220000
  1 1 1      17   34    1 o    2.993000      0.6799000       2.596000 0.9446000       3.390000      0.9782000     -0.7944000       1.360000
  1 1 1      17   34    2 o    3.358000      0.6869000       3.459000 0.9185000       3.257000       1.022000      0.2023000       1.374000
  1 1 1      17   34    3 o    2.506000      0.6950000       2.679000 0.9920000       2.333000      0.9738000      0.3454000       1.390000
  1 1 1      17   34    4 o    2.923000      0.7165000       3.055000 0.9856000       2.791000       1.040000      0.2638000       1.433000
  1 1 1      17   34    5 o    3.924000      0.6283000       5.088000 0.7259000       2.761000       1.026000       2.326000       1.257000
  1 1 1      17   34    6 o    2.102000      0.6297000       2.561000 0.9838000       1.643000      0.7864000      0.9183000       1.259000
  1 1 1      17   34    7 o    2.252000      0.6793000       2.258000 0.9367000       2.245000      0.9841000      0.1282000E-01   1.359000
  1 1 1      17   34    8 o    2.692000      0.7369000       2.751000 0.9955000       2.632000       1.087000      0.1188000       1.474000
  1 1 1      17   34    9 o    2.102000      0.6623000       1.979000 0.8898000       2.224000      0.9813000     -0.2453000       1.325000
  1 1 1      17   34   10 o    4.059000      0.7094000       4.215000 0.9238000       3.902000       1.077000      0.3133000       1.419000
  1 1 1      17   34   11 o    2.850000      0.8165000       2.673000 1.042000       3.027000       1.257000     -0.3533000       1.633000
  1 1 1      17   34   12 o    2.975000      0.7122000       3.713000 1.021000       2.236000      0.9929000       1.477000       1.424000
  1 1 1      17   34   13 o    2.066000      0.6684000       2.021000 0.9266000       2.112000      0.9635000     -0.9072000E-01   1.337000
  1 1 1      17   34   14 o    2.321000      0.6986000       2.797000 1.080000       1.845000      0.8870000      0.9518000       1.397000
  1 1 1      17   34   15 o    3.089000      0.7414000       3.852000 1.055000       2.326000       1.042000       1.527000       1.483000
  1 1 1      17   35    0 o    2.530000      0.7019000       2.471000 0.9742000       2.588000       1.011000     -0.1174000       1.404000
  1 1 1      17   35    1 o    2.662000      0.7008000       2.649000 0.9845000       2.675000      0.9977000     -0.2554000E-01   1.402000
  1 1 1      17   35    2 o    2.259000      0.6585000       2.757000 1.025000       1.761000      0.8267000      0.9957000       1.317000
  1 1 1      17   35    3 o    2.594000      0.7210000       2.462000 0.9995000       2.727000       1.039000     -0.2646000       1.442000
  1 1 1      17   35    4 o    2.779000      0.7384000       2.573000 1.020000       2.984000       1.068000     -0.4106000       1.477000
  1 1 1      17   35    5 o    3.125000      0.7113000       2.421000 0.9742000       3.829000       1.037000      -1.407000       1.423000
  1 1 1      17   35    6 o    2.136000      0.6626000       2.230000 0.9412000       2.041000      0.9330000      0.1889000       1.325000
  1 1 1      17   35    7 o    2.307000      0.6842000       2.739000 1.038000       1.876000      0.8921000      0.8629000       1.368000
  1 1 1      17   35    8 o    2.318000      0.6791000       1.519000 0.7465000       3.118000       1.135000      -1.600000       1.358000
  1 1 1      17   35    9 o    2.364000      0.6896000       2.860000 1.057000       1.869000      0.8862000      0.9915000       1.379000
  1 1 1      17   35   10 o    2.458000      0.7187000       2.351000 0.9682000       2.565000       1.062000     -0.2140000       1.437000
  1 1 1      17   35   11 o    2.422000      0.7216000       2.658000 1.040000       2.186000       1.000000      0.4717000       1.443000
  1 1 1      17   35   12 o    2.887000      0.7889000       3.131000 1.109000       2.643000       1.123000      0.4876000       1.578000
  1 1 1      17   35   13 o    2.686000      0.7458000       3.120000 1.100000       2.251000       1.007000      0.8685000       1.492000
  1 1 1      17   36    0 o    2.291000      0.6714000       2.507000 0.9871000       2.074000      0.9105000      0.4337000       1.343000
  1 1 1      17   36    1 o    2.274000      0.6413000       3.017000 1.044000       1.531000      0.7457000       1.486000       1.283000
  1 1 1      17   36    2 o    2.512000      0.7163000       2.785000 1.066000       2.240000      0.9569000      0.5459000       1.433000
  1 1 1      17   36    3 o    2.718000      0.7080000       3.296000 1.067000       2.141000      0.9315000       1.155000       1.416000
  1 1 1      17   36    4 o    2.321000      0.6785000       2.254000 0.9456000       2.388000      0.9731000     -0.1344000       1.357000
  1 1 1      17   36    5 o    2.994000      0.7413000       3.088000 1.011000       2.901000       1.084000      0.1867000       1.483000
  1 1 1      17   36    6 o    2.776000      0.7583000       2.975000 1.060000       2.577000       1.085000      0.3972000       1.517000
  1 1 1      17   36    7 o    3.009000       1.108000       3.009000 1.108000                  ?              ?              ?              ?
  1 1 1      17   36    8 o    2.792000      0.7050000       3.574000 1.055000       2.011000      0.9355000       1.563000       1.410000
  1 1 1      17   36    9 o    2.390000      0.6985000       1.629000 0.7829000       3.151000       1.157000      -1.522000       1.397000
  1 1 1      17   36   10 o    3.153000       1.316000                  ?       ?   3.153000       1.316000                  ?              ?
  1 1 1      17   37    0 o    2.421000      0.7032000       2.755000 1.060000       2.087000      0.9248000      0.6682000       1.406000
  1 1 1      17   37    1 o    2.980000      0.7723000       3.071000 1.120000       2.889000       1.064000      0.1825000       1.545000
  1 1 1      17   37    2 o    1.828000      0.6094000       2.177000 0.9751000       1.480000      0.7311000      0.6968000       1.219000
  1 1 1      17   37    3 o    3.021000      0.6866000       4.077000 1.034000       1.965000      0.9041000       2.112000       1.373000
  1 1 1      17   37    4 o    2.629000      0.7503000       2.812000 1.062000       2.446000       1.060000      0.3665000       1.501000
  1 1 1      17   37    5 o    4.570000       1.492000                  ?       ?   4.570000       1.492000                  ?              ?
  1 1 1      18  -21    0 o    2.683000      0.7039000       2.587000 0.9645000       2.778000       1.026000     -0.1908000       1.408000
  1 1 1      18  -21    1 o    4.087000      0.6653000       3.606000 1.004000       4.567000      0.8736000     -0.9614000       1.331000
  1 1 1      18  -21    2 o    2.838000      0.7114000       2.720000 0.9742000       2.955000       1.037000     -0.2347000       1.423000
  1 1 1      18  -21    3 o    2.548000      0.6520000       3.265000 0.9928000       1.832000      0.8453000       1.433000       1.304000
  1 1 1      18  -21    4 f    2.293000      0.6700000       2.135000 0.9068000       2.451000      0.9865000     -0.3157000       1.340000
  1 1 1      18  -21    5 o    2.814000      0.6772000       3.588000 1.000000       2.041000      0.9135000       1.547000       1.354000
  1 1 1      18  -21    6 o    2.948000       1.194000                  ?       ?   2.948000       1.194000                  ?              ?
  1 1 1      18  -20    0 o    2.364000      0.6522000       2.683000 0.9672000       2.045000      0.8751000      0.6386000       1.304000
  1 1 1      18  -20    1 o    2.578000      0.6363000       1.740000 0.8091000       3.415000      0.9824000      -1.674000       1.273000
  1 1 1      18  -20    2 o    4.835000      0.5819000       5.259000 0.7202000       4.410000      0.9142000      0.8494000       1.164000
  1 1 1      18  -20    3 o    3.251000      0.6846000       3.621000 0.8978000       2.881000       1.034000      0.7405000       1.369000
  1 1 1      18  -20    4 o    2.008000      0.6336000       1.918000 0.8592000       2.098000      0.9314000     -0.1801000       1.267000
  1 1 1      18  -20    5 o    3.432000      0.6907000       3.730000 0.8855000       3.134000       1.060000      0.5967000       1.381000
  1 1 1      18  -20    6 o    2.524000      0.7054000       2.823000 1.079000       2.225000      0.9084000      0.5977000       1.411000
  1 1 1      18  -20    7 o    2.393000      0.7268000       1.807000 0.8620000       2.979000       1.170000      -1.172000       1.454000
  1 1 1      18  -20    8 o    6.665000      0.5719000       7.171000 0.6944000       6.159000      0.9089000       1.012000       1.144000
  1 1 1      18  -20    9 o    5.117000      0.6393000       4.758000 0.8155000       5.477000      0.9847000     -0.7195000       1.279000
  1 1 1      18  -20   10 f    3.102000      0.7077000       3.947000 0.9802000       2.257000       1.021000       1.690000       1.415000
  1 1 1      18  -19    0 o    3.854000      0.6059000       4.625000 0.7371000       3.083000      0.9617000       1.542000       1.212000
  1 1 1      18  -19    1 o    2.616000      0.6683000       2.533000 0.9182000       2.700000      0.9713000     -0.1667000       1.337000
  1 1 1      18  -19    2 o    3.596000      0.6575000       3.268000 0.9343000       3.924000      0.9255000     -0.6560000       1.315000
  1 1 1      18  -19    3 o    2.942000      0.7261000       3.576000 1.001000       2.308000       1.052000       1.268000       1.452000
  1 1 1      18  -19    4 o    5.803000      0.6129000       5.854000 0.7558000       5.752000      0.9651000      0.1020000       1.226000
  1 1 1      18  -19    5 o    2.417000      0.6963000       2.254000 0.8515000       2.581000       1.102000     -0.3267000       1.393000
  1 1 1      18  -19    6 f    4.589000      0.5844000       5.621000 0.6127000       3.556000      0.9953000       2.064000       1.169000
  1 1 1      18  -19    7 o    5.139000      0.5289000       5.365000 0.6350000       4.914000      0.8461000      0.4512000       1.058000
  1 1 1      18  -19    8 o    3.866000      0.9461000       4.662000 1.416000       3.070000       1.256000       1.593000       1.892000
  1 1 1      18  -19    9 o    2.978000      0.8766000       2.778000 1.212000       3.178000       1.266000     -0.3998000       1.753000
  1 1 1      18  -19   10 o    4.175000      0.9809000       4.413000 1.379000       3.937000       1.396000      0.4760000       1.962000
  1 1 1      18  -19   11 o    2.972000      0.7063000       3.481000 0.9954000       2.462000       1.002000       1.019000       1.413000
  1 1 1      18  -19   12 o    4.007000      0.6859000       4.456000 0.8620000       3.559000       1.067000      0.8977000       1.372000
  1 1 1      18  -19   13 o    3.045000      0.7473000       2.574000 1.004000       3.517000       1.108000     -0.9432000       1.495000
  1 1 1      18  -18    0 o    6.219000      0.4169000       6.309000 0.6557000       6.128000      0.5151000      0.1804000      0.8339000
  1 1 1      18  -18    1 o    3.612000      0.7621000       4.171000 0.9908000       3.053000       1.158000       1.118000       1.524000
  1 1 1      18  -18    2 o    8.729000      0.4191000       8.596000 0.3655000       8.861000      0.7542000     -0.2654000      0.8381000
  1 1 1      18  -18    3 o    7.047000      0.3438000       7.219000 0.4598000       6.876000      0.5112000      0.3424000      0.6876000
  1 1 1      18  -18    4 o    6.030000      0.5080000       6.664000 0.4730000       5.397000      0.8991000       1.267000       1.016000
  1 1 1      18  -18    5 o    4.261000      0.7790000       4.948000 1.021000       3.574000       1.177000       1.374000       1.558000
  1 1 1      18  -18    6 o    3.583000      0.8093000       3.094000 1.163000       4.072000       1.126000     -0.9782000       1.619000
  1 1 1      18  -18    7 o    2.446000      0.6070000       2.777000 0.7921000       2.115000      0.9200000      0.6619000       1.214000
  1 1 1      18  -18    8 o    4.027000      0.6424000       4.118000 0.8723000       3.937000      0.9433000      0.1814000       1.285000
  1 1 1      18  -18    9 o    3.281000      0.6814000       2.773000 0.9216000       3.789000       1.004000      -1.017000       1.363000
  1 1 1      18  -18   10 o    5.563000      0.4824000       6.276000 0.5813000       4.850000      0.7701000       1.425000      0.9649000
  1 1 1      18  -18   11 o    3.701000      0.6608000       2.804000 0.9773000       4.598000      0.8897000      -1.795000       1.322000
  1 1 1      18  -18   12 o    2.053000      0.6312000       2.370000 0.9601000       1.736000      0.8197000      0.6347000       1.262000
  1 1 1      18  -18   13 o    2.542000      0.6966000       2.795000 0.9969000       2.289000      0.9733000      0.5058000       1.393000
  1 1 1      18  -18   14 o    3.191000      0.7152000       2.592000 1.004000       3.791000       1.019000      -1.198000       1.430000
  1 1 1      18  -18   15 o    2.718000      0.6985000       1.963000 0.8898000       3.473000       1.077000      -1.510000       1.397000
  1 1 1      18  -17    0 o    2.239000      0.6097000       2.135000 0.8278000       2.342000      0.8953000     -0.2073000       1.219000
  1 1 1      18  -17    1 o    5.941000      0.3563000       5.893000 0.4840000       5.989000      0.5229000     -0.9567000E-01  0.7125000
  1 1 1      18  -17    2 o    8.937000      0.3547000       8.717000 0.5039000       9.157000      0.4995000     -0.4400000      0.7095000
  1 1 1      18  -17    3 o    3.333000      0.6376000       2.415000 0.9475000       4.252000      0.8534000      -1.838000       1.275000
  1 1 1      18  -17    4 f    2.930000      0.5534000       3.489000 0.6417000       2.371000      0.9017000       1.118000       1.107000
  1 1 1      18  -17    5 o    2.634000      0.6413000       2.491000 0.8594000       2.777000      0.9522000     -0.2858000       1.283000
  1 1 1      18  -17    6 f    2.699000      0.6270000       3.166000 0.8507000       2.232000      0.9214000      0.9336000       1.254000
  1 1 1      18  -17    7 o    4.254000      0.5375000       4.679000 0.6364000       3.828000      0.8664000      0.8513000       1.075000
  1 1 1      18  -17    8 o    4.032000      0.5770000       4.306000 0.6746000       3.759000      0.9362000      0.5478000       1.154000
  1 1 1      18  -17    9 o    2.111000      0.6305000       1.864000 0.8193000       2.359000      0.9586000     -0.4953000       1.261000
  1 1 1      18  -17   10 o    3.725000      0.6385000       3.736000 0.8571000       3.714000      0.9468000      0.2253000E-01   1.277000
  1 1 1      18  -17   11 o    2.624000      0.6736000       2.669000 0.9284000       2.579000      0.9762000      0.8970000E-01   1.347000
  1 1 1      18  -17   12 o    2.415000      0.6196000       3.195000 0.9627000       1.636000      0.7803000       1.559000       1.239000
  1 1 1      18  -17   13 o    3.199000      0.6903000       3.654000 0.9482000       2.744000       1.003000      0.9098000       1.381000
  1 1 1      18  -17   14 o    2.864000      0.7168000       2.831000 1.005000       2.898000       1.023000     -0.6744000E-01   1.434000
  1 1 1      18  -17   15 o    2.124000      0.6650000       2.056000 0.9030000       2.192000      0.9765000     -0.1368000       1.330000
  1 1 1      18  -17   16 o    2.803000      0.7234000       2.601000 0.9910000       3.005000       1.054000     -0.4047000       1.447000
  1 1 1      18  -17   17 o    2.531000      0.7122000       2.483000 0.9893000       2.579000       1.025000     -0.9564000E-01   1.424000
  1 1 1      18  -16    0 o    3.706000      0.6041000       3.648000 0.9096000       3.764000      0.7953000     -0.1169000       1.208000
  1 1 1      18  -16    1 o    5.521000      0.4760000       5.361000 0.7411000       5.681000      0.5976000     -0.3197000      0.9520000
  1 1 1      18  -16    2 o    5.793000      0.3547000       5.953000 0.4893000       5.633000      0.5137000      0.3200000      0.7095000
  1 1 1      18  -16    3 o    2.403000      0.5729000       1.857000 0.7775000       2.948000      0.8416000      -1.091000       1.146000
  1 1 1      18  -16    4 o    2.346000      0.5866000       1.985000 0.7840000       2.707000      0.8729000     -0.7222000       1.173000
  1 1 1      18  -16    5 o    7.598000      0.2944000       7.674000 0.3878000       7.522000      0.4431000      0.1515000      0.5889000
  1 1 1      18  -16    6 o    6.988000      0.3272000       7.186000 0.4018000       6.789000      0.5165000      0.3967000      0.6544000
  1 1 1      18  -16    7 o    3.358000      0.5812000       2.391000 0.8477000       4.324000      0.7953000      -1.933000       1.162000
  1 1 1      18  -16    8 o    2.177000      0.6076000       1.831000 0.7800000       2.523000      0.9318000     -0.6914000       1.215000
  1 1 1      18  -16    9 o    2.227000      0.6253000       2.295000 0.8619000       2.160000      0.9062000      0.1355000       1.251000
  1 1 1      18  -16   10 o    5.356000      0.5078000       6.632000 0.4873000       4.079000      0.8912000       2.553000       1.016000
  1 1 1      18  -16   11 o    3.637000      0.6330000       3.707000 0.8115000       3.566000      0.9718000      0.1411000       1.266000
  1 1 1      18  -16   12 o    2.112000      0.6231000       1.931000 0.8255000       2.293000      0.9336000     -0.3626000       1.246000
  1 1 1      18  -16   13 o    3.050000      0.6037000       3.984000 0.7835000       2.117000      0.9187000       1.867000       1.207000
  1 1 1      18  -16   14 o    2.449000      0.6645000       2.627000 0.9285000       2.270000      0.9508000      0.3571000       1.329000
  1 1 1      18  -16   15 o    2.073000      0.6336000       2.089000 0.8734000       2.058000      0.9181000      0.3078000E-01   1.267000
  1 1 1      18  -16   16 o    1.990000      0.6142000       2.084000 0.8760000       1.897000      0.8613000      0.1877000       1.228000
  1 1 1      18  -16   17 o    1.981000      0.6200000       1.840000 0.8319000       2.123000      0.9196000     -0.2832000       1.240000
  1 1 1      18  -16   18 f    2.648000      0.6999000       2.749000 0.9766000       2.546000       1.003000      0.2031000       1.400000
  1 1 1      18  -16   19 o    2.479000      0.6665000       2.730000 0.9692000       2.228000      0.9151000      0.5024000       1.333000
  1 1 1      18  -15    0 f    10.22000      0.2531000       10.35000 0.3551000       10.09000      0.3608000      0.2619000      0.5063000
  1 1 1      18  -15    1 o    11.65000      0.2484000       11.67000 0.3461000       11.64000      0.3563000      0.2944000E-01  0.4968000
  1 1 1      18  -15    2 o    6.982000      0.2868000       7.267000 0.3923000       6.696000      0.4184000      0.5711000      0.5735000
  1 1 1      18  -15    3 o    4.513000      0.3902000       4.223000 0.5561000       4.803000      0.5475000     -0.5800000      0.7804000
  1 1 1      18  -15    4 o    2.258000      0.5517000       2.635000 0.7775000       1.882000      0.7830000      0.7526000       1.103000
  1 1 1      18  -15    5 o    10.23000      0.2504000       10.37000 0.3410000       10.08000      0.3666000      0.2891000      0.5007000
  1 1 1      18  -15    6 o    5.858000      0.3439000       6.174000 0.4217000       5.541000      0.5433000      0.6331000      0.6877000
  1 1 1      18  -15    7 o    9.159000      0.2728000       9.268000 0.3481000       9.051000      0.4200000      0.2173000      0.5455000
  1 1 1      18  -15    8 o    7.203000      0.3073000       7.162000 0.3955000       7.244000      0.4704000     -0.8241000E-01  0.6146000
  1 1 1      18  -15    9 o    2.507000      0.5676000       1.656000 0.7266000       3.358000      0.8722000      -1.702000       1.135000
  1 1 1      18  -15   10 o    2.807000      0.6339000       2.276000 0.8292000       3.338000      0.9589000      -1.061000       1.268000
  1 1 1      18  -15   11 o    3.754000      0.5876000       4.329000 0.6470000       3.179000      0.9811000       1.149000       1.175000
  1 1 1      18  -15   12 o    1.976000      0.5899000       1.596000 0.7259000       2.355000      0.9300000     -0.7586000       1.180000
  1 1 1      18  -15   13 o    6.457000      0.4124000       7.151000 0.4762000       5.762000      0.6733000       1.389000      0.8247000
  1 1 1      18  -15   14 o    6.975000      0.3983000       6.687000 0.5070000       7.264000      0.6145000     -0.5766000      0.7967000
  1 1 1      18  -15   15 o    4.234000      0.5692000       4.076000 0.7891000       4.392000      0.8205000     -0.3162000       1.138000
  1 1 1      18  -15   16 o    2.974000      0.6611000       2.206000 0.9085000       3.742000      0.9607000      -1.536000       1.322000
  1 1 1      18  -15   17 o    2.269000      0.6550000       2.215000 0.8831000       2.323000      0.9676000     -0.1079000       1.310000
  1 1 1      18  -15   18 o    2.606000      0.6694000       2.879000 0.9376000       2.334000      0.9555000      0.5456000       1.339000
  1 1 1      18  -15   19 o    2.355000      0.6457000       2.525000 0.9253000       2.185000      0.9008000      0.3401000       1.291000
  1 1 1      18  -15   20 o    3.406000      0.6256000       3.947000 0.8158000       2.865000      0.9488000       1.082000       1.251000
  1 1 1      18  -14    0 o    8.714000      0.2444000       8.717000 0.3532000       8.712000      0.3379000      0.5306000E-02  0.4889000
  1 1 1      18  -14    1 o    6.167000      0.2855000       6.082000 0.4054000       6.253000      0.4020000     -0.1707000      0.5709000
  1 1 1      18  -14    2 o    3.444000      0.4591000       2.865000 0.7552000       4.023000      0.5224000      -1.158000      0.9183000
  1 1 1      18  -14    3 o    5.553000      0.3114000       5.621000 0.4316000       5.486000      0.4490000      0.1356000      0.6228000
  1 1 1      18  -14    4 o    3.528000      0.4643000       3.254000 0.6835000       3.803000      0.6286000     -0.5488000      0.9286000
  1 1 1      18  -14    5 o    6.387000      0.2817000       6.505000 0.3809000       6.270000      0.4150000      0.2346000      0.5633000
  1 1 1      18  -14    6 o    9.342000      0.2426000       9.480000 0.3304000       9.203000      0.3554000      0.2769000      0.4852000
  1 1 1      18  -14    7 o    8.381000      0.2593000       8.641000 0.3318000       8.121000      0.3986000      0.5200000      0.5187000
  1 1 1      18  -14    8 o    4.169000      0.4581000       3.643000 0.6449000       4.696000      0.6508000      -1.053000      0.9162000
  1 1 1      18  -14    9 o    3.398000      0.5514000       3.539000 0.6720000       3.258000      0.8744000      0.2810000       1.103000
  1 1 1      18  -14   10 o    7.059000      0.3106000       6.801000 0.3999000       7.316000      0.4754000     -0.5149000      0.6212000
  1 1 1      18  -14   11 o    3.916000      0.5369000       3.642000 0.7073000       4.191000      0.8080000     -0.5484000       1.074000
  1 1 1      18  -14   12 f    1.912000      0.5681000       2.049000 0.7990000       1.775000      0.8078000      0.2734000       1.136000
  1 1 1      18  -14   13 f    2.429000      0.6222000       2.528000 0.8460000       2.330000      0.9126000      0.1982000       1.244000
  1 1 1      18  -14   14 o    6.490000      0.3846000       6.950000 0.4515000       6.029000      0.6229000      0.9214000      0.7693000
  1 1 1      18  -14   15 o    1.898000      0.5605000       2.356000 0.8714000       1.440000      0.7052000      0.9157000       1.121000
  1 1 1      18  -14   16 o    2.996000      0.6388000       3.606000 0.8142000       2.387000      0.9847000       1.219000       1.278000
  1 1 1      18  -14   17 o    2.392000      0.6677000       2.516000 0.9227000       2.268000      0.9654000      0.2488000       1.335000
  1 1 1      18  -14   18 o    2.925000      0.6922000       3.164000 0.9533000       2.686000       1.004000      0.4788000       1.384000
  1 1 1      18  -14   19 o    3.265000      0.6659000       3.728000 0.8920000       2.801000      0.9889000      0.9268000       1.332000
  1 1 1      18  -14   20 o    2.384000      0.6504000       2.811000 0.9767000       1.956000      0.8592000      0.8541000       1.301000
  1 1 1      18  -14   21 o    2.303000      0.6098000       2.044000 0.8475000       2.563000      0.8769000     -0.5187000       1.220000
  1 1 1      18  -14   22 o    2.549000      0.6126000       2.463000 0.8667000       2.636000      0.8658000     -0.1733000       1.225000
  1 1 1      18  -13    0 o    6.281000      0.2797000       5.908000 0.4113000       6.654000      0.3790000     -0.7462000      0.5593000
  1 1 1      18  -13    1 o    7.502000      0.2590000       7.415000 0.3674000       7.589000      0.3652000     -0.1731000      0.5180000
  1 1 1      18  -13    2 o    2.494000      0.5225000       2.770000 0.7369000       2.218000      0.7409000      0.5522000       1.045000
  1 1 1      18  -13    3 o    2.932000      0.4818000       3.508000 0.6116000       2.357000      0.7446000       1.150000      0.9636000
  1 1 1      18  -13    4 o    7.072000      0.2539000       7.081000 0.3534000       7.062000      0.3646000      0.1850000E-01  0.5077000
  1 1 1      18  -13    5 o    6.854000      0.2645000       6.890000 0.3618000       6.819000      0.3861000      0.7091000E-01  0.5291000
  1 1 1      18  -13    6 o    3.840000      0.4009000       3.629000 0.5675000       4.052000      0.5665000     -0.4228000      0.8019000
  1 1 1      18  -13    7 o    2.042000      0.5075000       1.515000 0.6606000       2.569000      0.7706000      -1.054000       1.015000
  1 1 1      18  -13    8 o    4.811000      0.3557000       4.372000 0.4927000       5.251000      0.5132000     -0.8795000      0.7114000
  1 1 1      18  -13    9 o    6.629000      0.2907000       6.600000 0.3730000       6.657000      0.4461000     -0.5775000E-01  0.5815000
  1 1 1      18  -13   10 o    5.008000      0.3644000       4.410000 0.5163000       5.607000      0.5143000      -1.197000      0.7287000
  1 1 1      18  -13   11 f    2.567000      0.5717000       2.959000 0.7391000       2.175000      0.8723000      0.7844000       1.143000
  1 1 1      18  -13   12 o    4.511000      0.6902000       5.400000 0.4961000       3.622000       1.288000       1.778000       1.380000
  1 1 1      18  -13   13 o    1.970000      0.5941000       2.103000 0.8422000       1.837000      0.8382000      0.2660000       1.188000
  1 1 1      18  -13   14 o    2.548000      0.6490000       2.581000 0.8548000       2.515000      0.9768000      0.6607000E-01   1.298000
  1 1 1      18  -13   15 o    2.996000      0.6663000       2.842000 0.8641000       3.150000       1.014000     -0.3079000       1.333000
  1 1 1      18  -13   16 o    2.210000      0.6098000       2.182000 0.8275000       2.239000      0.8958000     -0.5757000E-01   1.220000
  1 1 1      18  -13   17 f    5.669000      0.4211000       6.036000 0.5047000       5.302000      0.6741000      0.7340000      0.8421000
  1 1 1      18  -13   18 o    2.413000      0.6167000       2.824000 0.8697000       2.003000      0.8747000      0.8208000       1.233000
  1 1 1      18  -13   19 o    3.703000      0.8068000       2.471000 0.8720000       4.935000       1.358000      -2.464000       1.614000
  1 1 1      18  -13   20 o    2.964000      0.7283000       2.066000 0.9522000       3.862000       1.102000      -1.796000       1.457000
  1 1 1      18  -13   21 o    2.756000      0.7337000       3.136000 1.088000       2.377000      0.9849000      0.7591000       1.467000
  1 1 1      18  -13   22 o    2.393000      0.6742000       2.467000 0.9878000       2.320000      0.9178000      0.1474000       1.348000
  1 1 1      18  -13   23 o    1.410000      0.6613000                  ?       ?   1.410000      0.6613000                  ?              ?
  1 1 1      18  -12    0 o    5.717000      0.2907000       5.913000 0.4054000       5.520000      0.4167000      0.3936000      0.5814000
  1 1 1      18  -12    1 o    7.629000      0.2493000       7.637000 0.3465000       7.620000      0.3586000      0.1752000E-01  0.4987000
  1 1 1      18  -12    2 f    4.409000      0.3526000       3.968000 0.5556000       4.850000      0.4342000     -0.8816000      0.7051000
  1 1 1      18  -12    3 o    4.799000      0.3088000       4.826000 0.4429000       4.772000      0.4302000      0.5385000E-01  0.6175000
  1 1 1      18  -12    4 o    4.460000      0.3318000       3.864000 0.5228000       5.056000      0.4088000      -1.191000      0.6636000
  1 1 1      18  -12    5 o    7.460000      0.2375000       7.606000 0.3215000       7.315000      0.3495000      0.2915000      0.4749000
  1 1 1      18  -12    6 f    2.768000      0.4842000       2.163000 0.7384000       3.372000      0.6267000      -1.209000      0.9685000
  1 1 1      18  -12    7 o    4.040000      0.3841000       4.578000 0.4527000       3.501000      0.6206000       1.077000      0.7682000
  1 1 1      18  -12    8 o    6.247000      0.2645000       6.312000 0.3565000       6.181000      0.3908000      0.1315000      0.5290000
  1 1 1      18  -12    9 o    2.044000      0.5302000       1.505000 0.6664000       2.582000      0.8248000      -1.077000       1.060000
  1 1 1      18  -12   10 o    6.089000      0.4248000       6.552000 0.4713000       5.627000      0.7069000      0.9251000      0.8496000
  1 1 1      18  -12   11 o    3.819000      0.5926000       3.813000 0.7339000       3.825000      0.9305000     -0.1259000E-01   1.185000
  1 1 1      18  -12   12 o    7.491000      0.3625000       7.268000 0.4527000       7.715000      0.5663000     -0.4468000      0.7250000
  1 1 1      18  -12   13 o    8.236000      0.3274000       7.664000 0.3742000       8.808000      0.5374000      -1.144000      0.6548000
  1 1 1      18  -12   14 o    3.034000      0.5146000       4.007000 0.5716000       2.061000      0.8558000       1.946000       1.029000
  1 1 1      18  -12   15 o    3.350000      0.7535000       2.967000 0.6969000       3.733000       1.336000     -0.7663000       1.507000
  1 1 1      18  -12   16 o    3.488000      0.9395000       3.804000 1.349000       3.171000       1.308000      0.6328000       1.879000
  1 1 1      18  -12   17 o    4.947000      0.8944000       6.898000 1.226000       2.995000       1.303000       3.903000       1.789000
  1 1 1      18  -12   18 o    2.023000      0.6647000       2.118000 1.032000       1.928000      0.8385000      0.1896000       1.329000
  1 1 1      18  -12   19 o    4.885000      0.5042000       5.678000 0.5549000       4.093000      0.8420000       1.586000       1.008000
  1 1 1      18  -12   20 o    4.971000      0.3924000       5.271000 0.5063000       4.671000      0.5997000      0.5997000      0.7849000
  1 1 1      18  -12   21 o    3.639000      0.4919000       3.985000 0.6216000       3.292000      0.7626000      0.6934000      0.9839000
  1 1 1      18  -12   22 o    2.899000      0.5197000       3.589000 0.6701000       2.210000      0.7945000       1.378000       1.039000
  1 1 1      18  -12   23 o    5.857000      0.3088000       5.690000 0.4620000       6.023000      0.4099000     -0.3328000      0.6176000
  1 1 1      18  -12   24 o    4.115000      0.6085000       4.115000 0.6085000                  ?              ?              ?              ?
  1 1 1      18  -11    0 o    12.43000      0.2393000       12.38000 0.3336000       12.48000      0.3431000     -0.9330000E-01  0.4786000
  1 1 1      18  -11    1 o    7.709000      0.2408000       7.408000 0.3553000       8.010000      0.3250000     -0.6025000      0.4815000
  1 1 1      18  -11    2 f    1.871000      0.4961000       1.913000 0.7065000       1.828000      0.6967000      0.8435000E-01  0.9922000
  1 1 1      18  -11    3 o    4.420000      0.3262000       4.490000 0.4799000       4.350000      0.4418000      0.1401000      0.6523000
  1 1 1      18  -11    4 o    4.934000      0.2969000       4.529000 0.4505000       5.340000      0.3869000     -0.8114000      0.5939000
  1 1 1      18  -11    5 o    3.168000      0.4183000       3.436000 0.5534000       2.900000      0.6275000      0.5357000      0.8367000
  1 1 1      18  -11    6 o    9.433000      0.2165000       9.452000 0.2995000       9.415000      0.3126000      0.3759000E-01  0.4329000
  1 1 1      18  -11    7 o    10.82000      0.2758000       10.84000 0.4515000       10.81000      0.3170000      0.3328000E-01  0.5516000
  1 1 1      18  -11    8 o    2.227000      0.6138000       2.452000 0.8421000       2.003000      0.8933000      0.4484000       1.228000
  1 1 1      18  -11    9 o    7.060000      0.3867000       7.270000 0.4548000       6.849000      0.6255000      0.4210000      0.7733000
  1 1 1      18  -11   10 o    7.535000      0.2498000       7.536000 0.3281000       7.534000      0.3768000      0.2538000E-02  0.4996000
  1 1 1      18  -11   11 o    3.686000      0.4485000       4.041000 0.5009000       3.330000      0.7441000      0.7116000      0.8969000
  1 1 1      18  -11   12 o    4.233000      0.6323000       4.014000 0.8875000       4.452000      0.9007000     -0.4379000       1.265000
  1 1 1      18  -11   13 f    6.476000      0.5586000       6.199000 0.7923000       6.753000      0.7877000     -0.5541000       1.117000
  1 1 1      18  -11   14 o    4.128000      0.7161000       5.342000 0.8733000       2.914000       1.135000       2.428000       1.432000
  1 1 1      18  -11   15 o    3.750000      0.5031000       3.929000 0.5833000       3.571000      0.8200000      0.3580000       1.006000
  1 1 1      18  -11   16 o    1.967000      0.5324000       2.370000 0.7771000       1.564000      0.7280000      0.8061000       1.065000
  1 1 1      18  -11   17 o    4.825000      0.4440000       4.611000 0.5361000       5.039000      0.7080000     -0.4277000      0.8881000
  1 1 1      18  -11   18 o    2.514000      0.6094000       2.631000 0.8205000       2.398000      0.9012000      0.2331000       1.219000
  1 1 1      18  -11   19 o    5.217000      0.3998000       5.004000 0.5439000       5.431000      0.5863000     -0.4270000      0.7997000
  1 1 1      18  -11   20 o    7.151000      0.3401000       7.212000 0.3850000       7.091000      0.5607000      0.1204000      0.6802000
  1 1 1      18  -11   21 o    3.003000      0.5394000       2.819000 0.7631000       3.188000      0.7626000     -0.3686000       1.079000
  1 1 1      18  -11   22 o    2.577000      0.5270000       3.118000 0.7179000       2.035000      0.7716000       1.084000       1.054000
  1 1 1      18  -11   23 o    5.568000      0.2873000       5.578000 0.4046000       5.559000      0.4081000      0.1816000E-01  0.5747000
  1 1 1      18  -11   24 o    4.802000      0.3318000       4.818000 0.4819000       4.786000      0.4562000      0.3203000E-01  0.6636000
  1 1 1      18  -11   25 o    3.971000      0.4251000       3.792000 0.6513000       4.149000      0.5466000     -0.3567000      0.8502000
  1 1 1      18  -10    0 o    5.288000      0.3060000       4.950000 0.4601000       5.625000      0.4036000     -0.6752000      0.6121000
  1 1 1      18  -10    1 o    1.313000      0.4258000       1.458000 0.6469000       1.168000      0.5539000      0.2898000      0.8516000
  1 1 1      18  -10    2 o    3.850000      0.3579000       4.234000 0.4856000       3.465000      0.5260000      0.7689000      0.7159000
  1 1 1      18  -10    3 f    2.805000      0.4497000       2.137000 0.7277000       3.473000      0.5286000      -1.335000      0.8994000
  1 1 1      18  -10    4 o    5.053000      0.2808000       4.956000 0.4240000       5.149000      0.3682000     -0.1932000      0.5615000
  1 1 1      18  -10    5 o    2.984000      0.6525000       2.584000 0.8602000       3.384000      0.9815000     -0.7995000       1.305000
  1 1 1      18  -10    6 o    9.895000      0.3389000       10.33000 0.4329000       9.465000      0.5215000      0.8602000      0.6778000
  1 1 1      18  -10    7 f    9.053000      0.2109000       9.156000 0.2968000       8.950000      0.2998000      0.2065000      0.4218000
  1 1 1      18  -10    8 o    5.949000      0.2441000       5.688000 0.3493000       6.211000      0.3411000     -0.5231000      0.4882000
  1 1 1      18  -10    9 f    10.91000      0.2483000       10.80000 0.2963000       11.02000      0.3984000     -0.2280000      0.4965000
  1 1 1      18  -10   10 f    10.13000      0.2807000       9.829000 0.3917000       10.44000      0.4022000     -0.6080000      0.5614000
  1 1 1      18  -10   11 o    4.845000      0.4639000       4.546000 0.6457000       5.145000      0.6662000     -0.5987000      0.9278000
  1 1 1      18  -10   12 o    7.657000      0.2446000       7.970000 0.3104000       7.344000      0.3781000      0.6256000      0.4892000
  1 1 1      18  -10   13 o    2.553000      0.4856000       1.400000 0.6304000       3.707000      0.7387000      -2.308000      0.9711000
  1 1 1      18  -10   14 o    8.225000      0.2759000       8.647000 0.3387000       7.802000      0.4356000      0.8453000      0.5518000
  1 1 1      18  -10   15 o    10.95000      0.3165000       11.04000 0.4135000       10.86000      0.4792000      0.1808000      0.6329000
  1 1 1      18  -10   16 o    5.584000      0.3774000       5.446000 0.4634000       5.721000      0.5959000     -0.2752000      0.7549000
  1 1 1      18  -10   17 o    6.009000      0.3333000       5.698000 0.4335000       6.320000      0.5064000     -0.6221000      0.6666000
  1 1 1      18  -10   18 o    2.622000      0.5724000       2.605000 0.7259000       2.640000      0.8854000     -0.3498000E-01   1.145000
  1 1 1      18  -10   19 o    2.601000      0.5576000       3.072000 0.7357000       2.130000      0.8381000      0.9413000       1.115000
  1 1 1      18  -10   20 o    3.206000      0.5108000       3.745000 0.6132000       2.668000      0.8171000       1.077000       1.022000
  1 1 1      18  -10   21 o    5.378000      0.3342000       6.233000 0.3941000       4.524000      0.5398000       1.709000      0.6684000
  1 1 1      18  -10   22 o    3.611000      0.4087000       3.438000 0.6061000       3.785000      0.5483000     -0.3463000      0.8173000
  1 1 1      18  -10   23 o    4.440000      0.3348000       4.304000 0.4977000       4.575000      0.4480000     -0.2705000      0.6696000
  1 1 1      18  -10   24 o    1.391000      0.4452000       1.426000 0.6404000       1.356000      0.6185000      0.6934000E-01  0.8903000
  1 1 1      18  -10   25 o    2.210000      0.5111000       2.738000 0.7514000       1.682000      0.6931000       1.057000       1.022000
  1 1 1      18  -10   26 o    1.762000      0.4968000       1.422000 0.6519000       2.103000      0.7498000     -0.6817000      0.9936000
  1 1 1      18   -9    0 f    3.454000      0.4260000       3.837000 0.5742000       3.071000      0.6294000      0.7652000      0.8519000
  1 1 1      18   -9    1 o    3.183000      0.4296000       3.432000 0.5859000       2.933000      0.6283000      0.4992000      0.8591000
  1 1 1      18   -9    2 o    3.656000      0.3709000       3.904000 0.5211000       3.408000      0.5278000      0.4958000      0.7417000
  1 1 1      18   -9    3 o    6.787000      0.3912000       6.463000 0.5230000       7.110000      0.5819000     -0.6465000      0.7824000
  1 1 1      18   -9    4 o    1.790000      0.5617000       1.847000 0.7883000       1.734000      0.8004000      0.1131000       1.123000
  1 1 1      18   -9    5 o    7.817000      0.2119000       7.866000 0.3013000       7.769000      0.2982000      0.9644000E-01  0.4239000
  1 1 1      18   -9    6 o    13.90000      0.2348000       14.01000 0.3325000       13.78000      0.3317000      0.2299000      0.4697000
  1 1 1      18   -9    7 o    10.79000      0.2753000       10.88000 0.4022000       10.70000      0.3761000      0.1844000      0.5506000
  1 1 1      18   -9    8 o    17.27000      0.3592000       17.47000 0.5171000       17.06000      0.4988000      0.4107000      0.7185000
  1 1 1      18   -9    9 o    6.994000      0.2192000       6.965000 0.3038000       7.023000      0.3161000     -0.5789000E-01  0.4384000
  1 1 1      18   -9   10 f    3.386000      0.3593000       3.417000 0.4788000       3.355000      0.5357000      0.6130000E-01  0.7185000
  1 1 1      18   -9   11 o    9.989000      0.2115000       10.13000 0.2844000       9.852000      0.3132000      0.2754000      0.4230000
  1 1 1      18   -9   12 o    15.47000      0.2482000       15.42000 0.3420000       15.53000      0.3599000     -0.1160000      0.4965000
  1 1 1      18   -9   13 o    2.427000      0.4949000       2.838000 0.6214000       2.015000      0.7704000      0.8226000      0.9898000
  1 1 1      18   -9   14 o    9.897000      0.2547000       10.39000 0.3167000       9.402000      0.3990000      0.9885000      0.5094000
  1 1 1      18   -9   15 o    5.262000      0.3502000       5.143000 0.4328000       5.382000      0.5507000     -0.2391000      0.7004000
  1 1 1      18   -9   16 o    2.956000      0.5482000       3.252000 0.6793000       2.660000      0.8607000      0.5916000       1.096000
  1 1 1      18   -9   17 o    1.816000      0.5320000       1.474000 0.6554000       2.157000      0.8381000     -0.6833000       1.064000
  1 1 1      18   -9   18 o    8.492000      0.3013000       8.799000 0.3825000       8.185000      0.4656000      0.6136000      0.6025000
  1 1 1      18   -9   19 o    4.447000      0.3987000       4.829000 0.4523000       4.064000      0.6567000      0.7654000      0.7973000
  1 1 1      18   -9   20 o    2.657000      0.5316000       2.713000 0.7152000       2.601000      0.7868000      0.1123000       1.063000
  1 1 1      18   -9   21 o    4.983000      0.3120000       5.303000 0.3998000       4.663000      0.4792000      0.6400000      0.6240000
  1 1 1      18   -9   22 o    5.400000      0.2699000       5.538000 0.3575000       5.262000      0.4044000      0.2755000      0.5398000
  1 1 1      18   -9   23 o    3.037000      0.4256000       3.446000 0.5167000       2.629000      0.6766000      0.8177000      0.8513000
  1 1 1      18   -9   24 o    2.749000      0.4505000       2.632000 0.6421000       2.865000      0.6320000     -0.2334000      0.9009000
  1 1 1      18   -9   25 o    2.316000      0.4912000       2.121000 0.7269000       2.510000      0.6608000     -0.3885000      0.9824000
  1 1 1      18   -9   26 f    2.095000      0.4883000       1.654000 0.7053000       2.535000      0.6755000     -0.8809000      0.9766000
  1 1 1      18   -9   27 o    2.376000      0.5207000       1.962000 0.7579000       2.789000      0.7142000     -0.8266000       1.041000
  1 1 1      18   -8    0 o    5.036000      0.2933000       5.091000 0.4332000       4.981000      0.3955000      0.1106000      0.5866000
  1 1 1      18   -8    1 o    6.819000      0.4046000       6.202000 0.5208000       7.437000      0.6193000      -1.235000      0.8092000
  1 1 1      18   -8    2 o    11.22000      0.3489000       11.81000 0.4658000       10.63000      0.5196000       1.183000      0.6978000
  1 1 1      18   -8    3 o    3.740000      0.3611000       3.301000 0.5606000       4.178000      0.4553000     -0.8767000      0.7222000
  1 1 1      18   -8    4 o    6.389000      0.2383000       6.348000 0.3458000       6.430000      0.3281000     -0.8263000E-01  0.4767000
  1 1 1      18   -8    5 o    2.090000      0.4929000       1.769000 0.7330000       2.412000      0.6591000     -0.6433000      0.9858000
  1 1 1      18   -8    6 o    7.134000      0.2645000       7.513000 0.3968000       6.756000      0.3497000      0.7573000      0.5289000
  1 1 1      18   -8    7 o    1.787000      0.4130000       1.230000 0.5638000       2.344000      0.6036000      -1.114000      0.8260000
  1 1 1      18   -8    8 o    7.679000      0.2044000       7.818000 0.2856000       7.539000      0.2924000      0.2786000      0.4087000
  1 1 1      18   -8    9 o    4.883000      0.2469000       4.823000 0.3476000       4.943000      0.3508000     -0.1200000      0.4939000
  1 1 1      18   -8   10 o    12.74000      0.2189000       12.89000 0.3036000       12.59000      0.3153000      0.2957000      0.4377000
  1 1 1      18   -8   11 o    9.099000      0.1974000       9.151000 0.2720000       9.047000      0.2860000      0.1034000      0.3947000
  1 1 1      18   -8   12 o    9.445000      0.2072000       9.704000 0.2758000       9.186000      0.3092000      0.5176000      0.4143000
  1 1 1      18   -8   13 o    7.183000      0.2295000       7.029000 0.2985000       7.338000      0.3487000     -0.3090000      0.4590000
  1 1 1      18   -8   14 f    8.394000      0.2315000       8.118000 0.2950000       8.669000      0.3569000     -0.5509000      0.4630000
  1 1 1      18   -8   15 o    3.068000      0.5183000       3.149000 0.6081000       2.988000      0.8395000      0.1608000       1.037000
  1 1 1      18   -8   16 o    4.732000      0.3549000       4.920000 0.4255000       4.543000      0.5680000      0.3774000      0.7097000
  1 1 1      18   -8   17 o    4.966000      0.3562000       5.183000 0.4254000       4.750000      0.5713000      0.4330000      0.7123000
  1 1 1      18   -8   18 f    2.012000      0.5423000       2.205000 0.7494000       1.818000      0.7841000      0.3868000       1.085000
  1 1 1      18   -8   19 o    3.370000      0.4603000       3.152000 0.6030000       3.588000      0.6956000     -0.4358000      0.9206000
  1 1 1      18   -8   20 o    1.604000      0.4612000       1.962000 0.7019000       1.246000      0.5984000      0.7160000      0.9224000
  1 1 1      18   -8   21 o    3.505000      0.4045000       3.781000 0.4788000       3.229000      0.6522000      0.5515000      0.8091000
  1 1 1      18   -8   22 o    3.878000      0.3223000       3.713000 0.4485000       4.042000      0.4629000     -0.3291000      0.6446000
  1 1 1      18   -8   23 o    3.323000      0.3519000       3.304000 0.4912000       3.343000      0.5041000     -0.3957000E-01  0.7038000
  1 1 1      18   -8   24 o    3.485000      0.3461000       3.144000 0.5390000       3.825000      0.4342000     -0.6811000      0.6922000
  1 1 1      18   -8   25 o    4.109000      0.4522000       4.109000 0.4522000                  ?              ?              ?              ?
  1 1 1      18   -8   26 o    2.582000      0.4529000       2.253000 0.7121000       2.911000      0.5598000     -0.6578000      0.9058000
  1 1 1      18   -8   27 o    5.168000      0.3953000                  ?       ?   5.168000      0.3953000                  ?              ?
  1 1 1      18   -8   28 o    2.254000      0.5042000       2.699000 0.7354000       1.809000      0.6901000      0.8895000       1.008000
  1 1 1      18   -7    0 o    7.243000      0.3914000       7.441000 0.4891000       7.045000      0.6111000      0.3958000      0.7828000
  1 1 1      18   -7    1 o    5.635000      0.2708000       5.378000 0.3981000       5.891000      0.3671000     -0.5126000      0.5415000
  1 1 1      18   -7    2 o    8.145000      0.2266000       8.210000 0.3202000       8.081000      0.3208000      0.1288000      0.4533000
  1 1 1      18   -7    3 f    6.695000      0.3078000       6.550000 0.4641000       6.840000      0.4044000     -0.2899000      0.6156000
  1 1 1      18   -7    4 o    6.623000      0.2922000       7.075000 0.4356000       6.172000      0.3896000      0.9038000      0.5844000
  1 1 1      18   -7    5 o    2.975000      0.3843000       2.954000 0.5647000       2.995000      0.5214000     -0.4169000E-01  0.7686000
  1 1 1      18   -7    6 o    5.344000      0.2423000       5.353000 0.3417000       5.336000      0.3438000      0.1735000E-01  0.4847000
  1 1 1      18   -7    7 o    11.05000      0.2087000       11.08000 0.2908000       11.02000      0.2993000      0.6578000E-01  0.4173000
  1 1 1      18   -7    8 o    13.12000      0.2212000       13.09000 0.3108000       13.16000      0.3147000     -0.7524000E-01  0.4423000
  1 1 1      18   -7    9 o    1.377000      0.4063000       1.284000 0.5647000       1.470000      0.5843000     -0.1859000      0.8126000
  1 1 1      18   -7   10 o    4.490000      0.2437000       4.688000 0.3297000       4.293000      0.3590000      0.3954000      0.4874000
  1 1 1      18   -7   11 o    16.18000      0.2469000       16.18000 0.3447000       16.18000      0.3535000      0.3723000E-02  0.4937000
  1 1 1      18   -7   12 o    19.43000      0.2812000       19.56000 0.3959000       19.31000      0.3994000      0.2443000      0.5624000
  1 1 1      18   -7   13 o    20.00000      0.2906000       19.83000 0.4019000       20.18000      0.4198000     -0.3445000      0.5812000
  1 1 1      18   -7   14 o    14.42000      0.2955000       14.03000 0.3143000       14.81000      0.5006000     -0.7887000      0.5911000
  1 1 1      18   -7   15 o    4.124000      0.4019000       4.345000 0.4223000       3.903000      0.6838000      0.4414000      0.8037000
  1 1 1      18   -7   16 f    4.818000      0.3598000       5.059000 0.3942000       4.577000      0.6020000      0.4821000      0.7196000
  1 1 1      18   -7   17 o    7.113000      0.2925000       6.967000 0.3546000       7.259000      0.4652000     -0.2918000      0.5850000
  1 1 1      18   -7   18 o    2.345000      0.5656000       2.116000 0.7129000       2.573000      0.8783000     -0.4570000       1.131000
  1 1 1      18   -7   19 o    1.409000      0.4502000       1.149000 0.5441000       1.669000      0.7174000     -0.5204000      0.9004000
  1 1 1      18   -7   20 o    6.423000      0.3061000       6.312000 0.3815000       6.533000      0.4788000     -0.2208000      0.6122000
  1 1 1      18   -7   21 o    6.557000      0.2663000       6.429000 0.3104000       6.685000      0.4329000     -0.2561000      0.5327000
  1 1 1      18   -7   22 o    1.972000      0.4474000       2.270000 0.6128000       1.674000      0.6521000      0.5958000      0.8948000
  1 1 1      18   -7   23 o    2.156000      0.4205000       2.291000 0.5692000       2.021000      0.6191000      0.2703000      0.8409000
  1 1 1      18   -7   24 o    1.089000      0.3608000       1.093000 0.5143000       1.084000      0.5062000      0.9130000E-02  0.7216000
  1 1 1      18   -7   25 o    4.420000      0.3845000       4.747000 0.5128000       4.092000      0.5730000      0.6555000      0.7690000
  1 1 1      18   -7   26 o    3.330000      0.5325000       3.403000 0.7552000       3.258000      0.7510000      0.1455000       1.065000
  1 1 1      18   -7   27 o    2.633000      0.8387000                  ?       ?   2.633000      0.8387000                  ?              ?
  1 1 1      18   -7   28 o    2.003000      0.5864000       2.083000 0.8513000       1.924000      0.8065000      0.1587000       1.173000
  1 1 1      18   -6    0 o    10.29000      0.2273000       10.39000 0.3304000       10.19000      0.3121000      0.2049000      0.4545000
  1 1 1      18   -6    1 o    4.234000      0.3403000       3.705000 0.5520000       4.764000      0.3980000      -1.060000      0.6805000
  1 1 1      18   -6    2 o    2.881000      0.5310000       2.601000 0.8351000       3.160000      0.6561000     -0.5588000       1.062000
  1 1 1      18   -6    3 o    5.759000      0.2955000       5.926000 0.4781000       5.591000      0.3474000      0.3353000      0.5910000
  1 1 1      18   -6    4 o    14.34000      0.2390000       14.64000 0.3399000       14.04000      0.3362000      0.6023000      0.4781000
  1 1 1      18   -6    5 o    10.31000      0.2114000       10.41000 0.2945000       10.21000      0.3033000      0.1995000      0.4228000
  1 1 1      18   -6    6 o    9.167000      0.2036000       9.231000 0.2853000       9.103000      0.2906000      0.1287000      0.4072000
  1 1 1      18   -6    7 o    6.133000      0.2291000       6.424000 0.2961000       5.842000      0.3496000      0.5818000      0.4582000
  1 1 1      18   -6    8 o    6.834000      0.2179000       6.883000 0.2786000       6.785000      0.3352000      0.9781000E-01  0.4359000
  1 1 1      18   -6    9 o    10.82000      0.2005000       11.02000 0.2798000       10.63000      0.2872000      0.3965000      0.4010000
  1 1 1      18   -6   10 f    6.842000      0.1940000       6.697000 0.2757000       6.988000      0.2729000     -0.2909000      0.3880000
  1 1 1      18   -6   11 o    10.50000      0.1924000       10.47000 0.2687000       10.53000      0.2754000     -0.6520000E-01  0.3847000
  1 1 1      18   -6   12 o    11.38000      0.2013000       11.55000 0.2790000       11.21000      0.2903000      0.3382000      0.4026000
  1 1 1      18   -6   13 o    4.371000      0.2416000       4.725000 0.3081000       4.017000      0.3723000      0.7083000      0.4832000
  1 1 1      18   -6   14 o    8.741000      0.1996000       8.816000 0.2649000       8.666000      0.2985000      0.1501000      0.3991000
  1 1 1      18   -6   15 o    1.852000      0.4743000       1.351000 0.5799000       2.352000      0.7508000      -1.001000      0.9487000
  1 1 1      18   -6   16 o    6.765000      0.2689000       6.962000 0.3102000       6.569000      0.4394000      0.3931000      0.5379000
  1 1 1      18   -6   17 o    4.636000      0.3499000       4.890000 0.4091000       4.382000      0.5677000      0.5083000      0.6997000
  1 1 1      18   -6   18 o    2.603000      0.5018000       3.095000 0.5977000       2.110000      0.8063000      0.9857000       1.004000
  1 1 1      18   -6   19 f    3.432000      0.4262000       3.772000 0.5033000       3.091000      0.6878000      0.6814000      0.8523000
  1 1 1      18   -6   20 o    2.228000      0.5460000       2.194000 0.7179000       2.262000      0.8228000     -0.6799000E-01   1.092000
  1 1 1      18   -6   21 o    2.144000      0.5356000       2.057000 0.7134000       2.230000      0.7991000     -0.1725000       1.071000
  1 1 1      18   -6   22 f    3.854000      0.4004000       4.059000 0.4852000       3.648000      0.6370000      0.4105000      0.8008000
  1 1 1      18   -6   23 o    3.091000      0.4720000       3.425000 0.5650000       2.758000      0.7562000      0.6670000      0.9439000
  1 1 1      18   -6   24 o    1.596000      0.3983000       1.324000 0.5527000       1.868000      0.5738000     -0.5446000      0.7967000
  1 1 1      18   -6   25 o    1.255000      0.3878000       1.259000 0.5539000       1.252000      0.5430000      0.6676000E-02  0.7757000
  1 1 1      18   -6   26 o    4.992000      0.2404000       5.321000 0.3309000       4.664000      0.3489000      0.6574000      0.4809000
  1 1 1      18   -6   27 o    3.803000      0.4417000       3.173000 0.7777000       4.433000      0.4189000      -1.261000      0.8833000
  1 1 1      18   -6   28 o    3.680000      0.4840000       2.909000 0.8484000       4.451000      0.4661000      -1.542000      0.9680000
  1 1 1      18   -6   29 o    2.143000      0.5583000       2.366000 0.8511000       1.919000      0.7229000      0.4472000       1.117000
  1 1 1      18   -5    0 o    15.29000      0.3555000       15.14000 0.5196000       15.44000      0.4853000     -0.3020000      0.7110000
  1 1 1      18   -5    1 o    10.04000      0.3039000       9.853000 0.4562000       10.23000      0.4015000     -0.3768000      0.6077000
  1 1 1      18   -5    2 o    1.800000      0.4626000       1.538000 0.6480000       2.062000      0.6603000     -0.5236000      0.9251000
  1 1 1      18   -5    3 o    8.017000      0.2155000       8.214000 0.2995000       7.820000      0.3098000      0.3943000      0.4309000
  1 1 1      18   -5    4 o    11.59000      0.2186000       11.56000 0.3079000       11.63000      0.3103000     -0.7395000E-01  0.4372000
  1 1 1      18   -5    5 o    5.095000      0.2505000       5.194000 0.3617000       4.996000      0.3467000      0.1979000      0.5010000
  1 1 1      18   -5    6 o    9.638000      0.2843000       9.178000 0.2875000       10.10000      0.4905000     -0.9192000      0.5686000
  1 1 1      18   -5    7 o    12.25000      0.2143000       12.16000 0.2996000       12.35000      0.3065000     -0.1879000      0.4286000
  1 1 1      18   -5    8 o    13.52000      0.2218000       13.76000 0.3134000       13.27000      0.3140000      0.4847000      0.4437000
  1 1 1      18   -5    9 o    8.806000      0.1873000       8.769000 0.2645000       8.842000      0.2653000     -0.7326000E-01  0.3746000
  1 1 1      18   -5   10 o    10.54000      0.1944000       10.74000 0.2737000       10.33000      0.2760000      0.4107000      0.3887000
  1 1 1      18   -5   11 o    5.228000      0.2039000       5.270000 0.2845000       5.187000      0.2920000      0.8341000E-01  0.4077000
  1 1 1      18   -5   12 o    9.450000      0.1837000       9.624000 0.2569000       9.276000      0.2626000      0.3487000      0.3674000
  1 1 1      18   -5   13 o    5.978000      0.1935000       5.930000 0.2647000       6.025000      0.2822000     -0.9414000E-01  0.3870000
  1 1 1      18   -5   14 f    12.43000      0.2060000       12.56000 0.2837000       12.30000      0.2986000      0.2615000      0.4119000
  1 1 1      18   -5   15 o    4.011000      0.2908000       4.211000 0.3394000       3.810000      0.4722000      0.4005000      0.5815000
  1 1 1      18   -5   16 o    4.802000      0.3054000       4.610000 0.3664000       4.994000      0.4886000     -0.3846000      0.6107000
  1 1 1      18   -5   17 o    13.62000      0.3141000       13.48000 0.4263000       13.77000      0.4615000     -0.2888000      0.6283000
  1 1 1      18   -5   18 o    9.956000      0.2732000       9.801000 0.3648000       10.11000      0.4068000     -0.3102000      0.5464000
  1 1 1      18   -5   19 o    7.336000      0.2726000       7.043000 0.3521000       7.629000      0.4163000     -0.5862000      0.5452000
  1 1 1      18   -5   20 o    3.379000      0.4285000       3.648000 0.5221000       3.110000      0.6796000      0.5377000      0.8570000
  1 1 1      18   -5   21 o    4.811000      0.2580000       4.912000 0.3275000       4.711000      0.3988000      0.2013000      0.5160000
  1 1 1      18   -5   22 o    4.562000      0.2435000       4.475000 0.2867000       4.650000      0.3938000     -0.1756000      0.4871000
  1 1 1      18   -5   23 o    1.685000      0.3957000       1.183000 0.5294000       2.187000      0.5883000      -1.004000      0.7914000
  1 1 1      18   -5   24 o    4.718000      0.2437000       4.475000 0.3824000       4.962000      0.3020000     -0.4869000      0.4873000
  1 1 1      18   -5   25 o    4.470000      0.2553000       4.775000 0.4147000       4.165000      0.2978000      0.6100000      0.5106000
  1 1 1      18   -5   26 o    3.213000      0.4128000       3.840000 0.3832000       2.586000      0.7312000       1.254000      0.8256000
  1 1 1      18   -5   27 o    1.503000      0.4137000       1.199000 0.5460000       1.806000      0.6217000     -0.6077000      0.8274000
  1 1 1      18   -5   28 o    3.260000      0.3584000       2.467000 0.6290000       4.052000      0.3438000      -1.586000      0.7168000
  1 1 1      18   -5   29 o    1.347000      0.4114000       1.648000 0.6570000       1.046000      0.4954000      0.6022000      0.8228000
  1 1 1      18   -5   30 o    1.438000      0.4528000       1.677000 0.7233000       1.199000      0.5448000      0.4782000      0.9056000
  1 1 1      18   -4    0 o    7.749000      0.3242000       7.512000 0.5141000       7.985000      0.3952000     -0.4729000      0.6484000
  1 1 1      18   -4    1 o    6.246000      0.2332000       6.071000 0.3664000       6.422000      0.2885000     -0.3512000      0.4663000
  1 1 1      18   -4    2 o    2.308000      0.4450000       2.106000 0.7048000       2.510000      0.5435000     -0.4043000      0.8900000
  1 1 1      18   -4    3 o    3.120000      0.3722000       2.781000 0.6234000       3.460000      0.4068000     -0.6784000      0.7444000
  1 1 1      18   -4    4 o    12.93000      0.2283000       13.14000 0.3236000       12.73000      0.3222000      0.4150000      0.4566000
  1 1 1      18   -4    5 o    2.851000      0.3955000       2.975000 0.5630000       2.726000      0.5557000      0.2496000      0.7911000
  1 1 1      18   -4    6 o    6.225000      0.2376000       5.780000 0.3200000       6.671000      0.3514000     -0.8902000      0.4752000
  1 1 1      18   -4    7 o    8.386000      0.1963000       8.579000 0.2768000       8.193000      0.2783000      0.3856000      0.3926000
  1 1 1      18   -4    8 o    8.162000      0.1925000       8.026000 0.2709000       8.298000      0.2735000     -0.2720000      0.3850000
  1 1 1      18   -4    9 o    12.88000      0.2142000       13.01000 0.3033000       12.74000      0.3025000      0.2660000      0.4284000
  1 1 1      18   -4   10 o    6.873000      0.1876000       7.017000 0.2624000       6.730000      0.2682000      0.2869000      0.3752000
  1 1 1      18   -4   11 o    12.10000      0.2011000       12.22000 0.2835000       11.98000      0.2853000      0.2429000      0.4022000
  1 1 1      18   -4   12 o    4.017000      0.2277000       4.093000 0.3228000       3.941000      0.3212000      0.1519000      0.4553000
  1 1 1      18   -4   13 o    4.544000      0.2082000       4.489000 0.2992000       4.598000      0.2896000     -0.1099000      0.4164000
  1 1 1      18   -4   14 o    5.898000      0.1833000       6.013000 0.2503000       5.783000      0.2680000      0.2300000      0.3667000
  1 1 1      18   -4   15 o    9.036000      0.2854000       8.506000 0.3753000       9.566000      0.4300000      -1.061000      0.5708000
  1 1 1      18   -4   16 f    10.46000      0.2846000       10.51000 0.3816000       10.42000      0.4225000      0.9236000E-01  0.5693000
  1 1 1      18   -4   17 o    10.07000      0.2250000       10.18000 0.2874000       9.968000      0.3463000      0.2130000      0.4500000
  1 1 1      18   -4   18 o    3.750000      0.3744000       3.149000 0.5540000       4.351000      0.5038000      -1.202000      0.7488000
  1 1 1      18   -4   19 o    3.226000      0.7842000       2.981000 1.183000       3.471000       1.029000     -0.4906000       1.568000
  1 1 1      18   -4   21 o    2.328000      0.4972000       2.677000 0.7350000       1.980000      0.6698000      0.6967000      0.9944000
  1 1 1      18   -4   22 o    5.007000      0.1817000       4.841000 0.2540000       5.173000      0.2598000     -0.3311000      0.3633000
  1 1 1      18   -4   23 o    3.374000      0.2205000       3.154000 0.3375000       3.593000      0.2839000     -0.4384000      0.4410000
  1 1 1      18   -4   24 o    5.608000      0.1618000       5.563000 0.2384000       5.653000      0.2188000     -0.8988000E-01  0.3236000
  1 1 1      18   -4   25 o    1.283000      0.3623000       1.042000 0.4779000       1.524000      0.5445000     -0.4824000      0.7245000
  1 1 1      18   -4   26 o    4.259000      0.3227000       4.259000 0.3227000                  ?              ?              ?              ?
  1 1 1      18   -4   27 o    3.691000      0.2578000       3.650000 0.3789000       3.733000      0.3498000     -0.8276000E-01  0.5157000
  1 1 1      18   -4   28 o    6.686000      0.2476000                  ?       ?   6.686000      0.2476000                  ?              ?
  1 1 1      18   -4   29 o    1.488000      0.4146000       1.412000 0.5911000       1.564000      0.5814000     -0.1528000      0.8291000
  1 1 1      18   -4   30 o    1.641000      0.4213000       1.344000 0.5767000       1.938000      0.6144000     -0.5937000      0.8426000
  1 1 1      18   -3    0 f    6.326000      0.2319000       6.733000 0.3509000       5.918000      0.3033000      0.8160000      0.4638000
  1 1 1      18   -3    1 o    4.655000      0.2770000       4.419000 0.4453000       4.890000      0.3296000     -0.4706000      0.5540000
  1 1 1      18   -3    2 o    6.072000      0.2259000       6.462000 0.3387000       5.682000      0.2991000      0.7799000      0.4519000
  1 1 1      18   -3    3 o    3.624000      0.3907000       3.014000 0.5845000       4.233000      0.5187000      -1.220000      0.7815000
  1 1 1      18   -3    4 o    8.947000      0.2006000       8.740000 0.2972000       9.154000      0.2695000     -0.4138000      0.4012000
  1 1 1      18   -3    5 o    2.865000      0.3793000       2.827000 0.6071000       2.903000      0.4547000     -0.7627000E-01  0.7585000
  1 1 1      18   -3    6 o    10.94000      0.1996000       11.01000 0.2928000       10.87000      0.2713000      0.1404000      0.3991000
  1 1 1      18   -3    7 o    12.88000      0.2127000       13.15000 0.3109000       12.61000      0.2903000      0.5373000      0.4254000
  1 1 1      18   -3    8 o    8.389000      0.2181000       8.451000 0.2722000       8.326000      0.3409000      0.1251000      0.4362000
  1 1 1      18   -3    9 o    8.112000      0.1858000       8.264000 0.2636000       7.961000      0.2620000      0.3028000      0.3717000
  1 1 1      18   -3   10 o    5.248000      0.2100000       5.105000 0.3050000       5.391000      0.2888000     -0.2862000      0.4201000
  1 1 1      18   -3   11 o    10.74000      0.2218000       10.89000 0.2734000       10.59000      0.3492000      0.3072000      0.4435000
  1 1 1      18   -3   12 o    2.287000      0.3637000       2.443000 0.5066000       2.131000      0.5219000      0.3118000      0.7273000
  1 1 1      18   -3   13 o    15.48000      0.3421000       15.59000 0.4740000       15.37000      0.4934000      0.2138000      0.6842000
  1 1 1      18   -3   14 o    7.262000      0.2980000       7.442000 0.3648000       7.082000      0.4713000      0.3607000      0.5960000
  1 1 1      18   -3   15 o    8.455000      0.1728000       8.508000 0.2370000       8.402000      0.2516000      0.1064000      0.3457000
  1 1 1      18   -3   16 o    12.69000      0.2079000       12.76000 0.2850000       12.62000      0.3027000      0.1388000      0.4158000
  1 1 1      18   -3   17 o    6.095000      0.5057000       6.659000 0.4573000       5.531000      0.9021000       1.128000       1.011000
  1 1 1      18   -3   18 o    5.488000      0.6264000       6.464000 0.6725000       4.513000       1.057000       1.951000       1.253000
  1 1 1      18   -3   19 o    6.366000      0.2731000       6.123000 0.3382000       6.609000      0.4289000     -0.4858000      0.5462000
  1 1 1      18   -3   21 o    1.453000      0.3746000       1.884000 0.5682000       1.022000      0.4885000      0.8620000      0.7493000
  1 1 1      18   -3   22 o    1.365000      0.3398000       1.673000 0.4960000       1.057000      0.4647000      0.6161000      0.6797000
  1 1 1      18   -3   23 o    3.415000      0.1997000       3.184000 0.3100000       3.646000      0.2519000     -0.4615000      0.3994000
  1 1 1      18   -3   24 o    2.580000      0.2890000       2.068000 0.4908000       3.093000      0.3054000      -1.024000      0.5781000
  1 1 1      18   -3   25 o    4.308000      0.1942000       4.186000 0.2924000       4.430000      0.2557000     -0.2434000      0.3884000
  1 1 1      18   -3   26 o    1.869000      0.3598000       2.385000 0.4837000       1.354000      0.5329000       1.031000      0.7197000
  1 1 1      18   -3   27 o    3.452000      0.2451000       3.460000 0.3514000       3.444000      0.3419000      0.1529000E-01  0.4903000
  1 1 1      18   -3   28 o    4.787000      0.2533000       4.115000 0.4445000       5.459000      0.2429000      -1.344000      0.5065000
  1 1 1      18   -3   29 o    3.239000      0.2830000       2.934000 0.4459000       3.545000      0.3486000     -0.6110000      0.5660000
  1 1 1      18   -3   30 o    3.475000      0.2538000       3.283000 0.3816000       3.667000      0.3347000     -0.3842000      0.5076000
  1 1 1      18   -3   31 f    1.598000      0.4052000       1.736000 0.5804000       1.460000      0.5656000      0.2759000      0.8104000
  1 1 1      18   -2    0 o    5.096000      0.3391000                  ?       ?   5.096000      0.3391000                  ?              ?
  1 1 1      18   -2    1 o    10.30000      0.2127000       10.61000 0.3139000       9.995000      0.2872000      0.6128000      0.4255000
  1 1 1      18   -2    2 o    11.51000      0.2152000       11.89000 0.3173000       11.14000      0.2909000      0.7504000      0.4304000
  1 1 1      18   -2    3 o    8.013000      0.2011000       7.975000 0.3016000       8.050000      0.2660000     -0.7564000E-01  0.4021000
  1 1 1      18   -2    4 o    5.049000      0.2360000       5.547000 0.3359000       4.552000      0.3317000      0.9951000      0.4721000
  1 1 1      18   -2    5 o    11.59000      0.2072000       11.65000 0.3036000       11.54000      0.2822000      0.1143000      0.4145000
  1 1 1      18   -2    6 o    6.493000      0.2025000       6.253000 0.3088000       6.732000      0.2621000     -0.4794000      0.4050000
  1 1 1      18   -2    7 o    5.387000      0.2134000       5.210000 0.3343000       5.564000      0.2654000     -0.3546000      0.4268000
  1 1 1      18   -2    8 o    10.08000      0.1896000       10.39000 0.2804000       9.768000      0.2553000      0.6178000      0.3792000
  1 1 1      18   -2    9 f    8.553000      0.1822000       8.783000 0.2719000       8.323000      0.2427000      0.4599000      0.3645000
  1 1 1      18   -2   10 o    1.321000      0.3552000      0.9881000 0.4702000       1.654000      0.5326000     -0.6658000      0.7105000
  1 1 1      18   -2   11 o    7.395000      0.2558000       7.393000 0.3748000       7.396000      0.3481000     -0.2657000E-02  0.5115000
  1 1 1      18   -2   12 o    6.288000      0.2590000       6.281000 0.3944000       6.294000      0.3359000     -0.1294000E-01  0.5181000
  1 1 1      18   -2   13 o    13.92000      0.2537000       14.07000 0.3032000       13.77000      0.4067000      0.2976000      0.5073000
  1 1 1      18   -2   14 o    14.03000      0.2537000       13.79000 0.2961000       14.27000      0.4120000     -0.4834000      0.5074000
  1 1 1      18   -2   15 o    13.49000      0.2781000       13.41000 0.3908000       13.57000      0.3959000     -0.1555000      0.5563000
  1 1 1      18   -2   16 o    14.06000      0.2891000       13.98000 0.4054000       14.14000      0.4124000     -0.1634000      0.5783000
  1 1 1      18   -2   17 o    7.490000      0.1854000       7.614000 0.2345000       7.367000      0.2874000      0.2467000      0.3709000
  1 1 1      18   -2   18 o    8.621000      0.2443000       8.284000 0.2691000       8.959000      0.4078000     -0.6752000      0.4886000
  1 1 1      18   -2   19 o    3.133000      0.4643000       3.412000 0.4782000       2.855000      0.7960000      0.5576000      0.9286000
  1 1 1      18   -2   20 o    7.866000      0.2570000       7.714000 0.3306000       8.017000      0.3936000     -0.3029000      0.5140000
  1 1 1      18   -2   21 o    1.661000      0.3800000       1.939000 0.5126000       1.383000      0.5611000      0.5557000      0.7600000
  1 1 1      18   -2   22 o    2.509000      0.2489000       2.153000 0.3909000       2.865000      0.3082000     -0.7119000      0.4977000
  1 1 1      18   -2   23 o    6.149000      0.1621000       6.434000 0.2633000       5.863000      0.1892000      0.5713000      0.3242000
  1 1 1      18   -2   24 o    7.412000      0.2125000       7.605000 0.2073000       7.220000      0.3711000      0.3853000      0.4250000
  1 1 1      18   -2   25 o    8.754000      0.1953000       8.958000 0.3226000       8.549000      0.2201000      0.4088000      0.3905000
  1 1 1      18   -2   26 o    1.282000      0.3578000       1.131000 0.4905000       1.434000      0.5211000     -0.3025000      0.7156000
  1 1 1      18   -2   27 o    2.583000      0.3012000       2.681000 0.3942000       2.486000      0.4555000      0.1951000      0.6024000
  1 1 1      18   -2   28 f    1.305000      0.3270000      0.7748000 0.3777000       1.835000      0.5339000      -1.061000      0.6540000
  1 1 1      18   -2   29 o    3.675000      0.2444000       3.421000 0.3113000       3.928000      0.3770000     -0.5065000      0.4889000
  1 1 1      18   -2   30 o    1.540000      0.3615000       1.934000 0.4918000       1.145000      0.5299000      0.7890000      0.7229000
  1 1 1      18   -2   31 o    1.747000      0.6580000       1.747000 0.6580000                  ?              ?              ?              ?
  1 1 1      18   -1    0 o    2.576000      0.5850000                  ?       ?   2.576000      0.5850000                  ?              ?
  1 1 1      18   -1    1 o    5.740000      0.2282000       6.103000 0.3462000       5.376000      0.2975000      0.7275000      0.4565000
  1 1 1      18   -1    2 o    4.220000      0.2707000       4.429000 0.4163000       4.011000      0.3460000      0.4175000      0.5413000
  1 1 1      18   -1    3 f    3.284000      0.3463000       2.872000 0.5767000       3.697000      0.3836000     -0.8256000      0.6926000
  1 1 1      18   -1    4 o    3.040000      0.3551000       3.061000 0.5388000       3.018000      0.4627000      0.4266000E-01  0.7102000
  1 1 1      18   -1    5 o    2.063000      0.4262000       1.920000 0.6369000       2.206000      0.5664000     -0.2865000      0.8523000
  1 1 1      18   -1    6 f    8.260000      0.1914000       8.315000 0.2829000       8.205000      0.2578000      0.1099000      0.3827000
  1 1 1      18   -1    7 o    5.165000      0.2140000       5.294000 0.3192000       5.037000      0.2850000      0.2562000      0.4279000
  1 1 1      18   -1    8 o    2.191000      0.3717000       2.855000 0.4982000       1.527000      0.5518000       1.327000      0.7434000
  1 1 1      18   -1    9 o    2.807000      0.3226000       3.328000 0.4302000       2.287000      0.4808000       1.041000      0.6452000
  1 1 1      18   -1   10 o    1.439000      0.4367000       1.711000 0.6872000       1.168000      0.5390000      0.5436000      0.8733000
  1 1 1      18   -1   11 o    10.19000      0.2633000       10.19000 0.3809000       10.19000      0.3637000     -0.6323000E-03  0.5267000
  1 1 1      18   -1   12 o    1.838000      0.3792000       1.883000 0.5638000       1.793000      0.5071000      0.8998000E-01  0.7583000
  1 1 1      18   -1   13 o    7.979000      0.1978000       8.202000 0.3290000       7.756000      0.2196000      0.4464000      0.3956000
  1 1 1      18   -1   14 o    13.34000      0.2768000       13.13000 0.3885000       13.56000      0.3944000     -0.4271000      0.5536000
  1 1 1      18   -1   15 o    8.018000      0.1566000       8.147000 0.2278000       7.888000      0.2148000      0.2595000      0.3131000
  1 1 1      18   -1   16 o    5.746000      0.1538000       5.682000 0.2208000       5.811000      0.2142000     -0.1296000      0.3076000
  1 1 1      18   -1   17 o    8.055000      0.2018000       7.888000 0.2218000       8.222000      0.3373000     -0.3341000      0.4037000
  1 1 1      18   -1   18 o    6.271000      0.1878000       6.318000 0.2562000       6.224000      0.2747000      0.9356000E-01  0.3756000
  1 1 1      18   -1   19 o    5.582000      0.2135000       5.715000 0.2978000       5.449000      0.3060000      0.2664000      0.4270000
  1 1 1      18   -1   20 o    4.319000      0.2340000       4.316000 0.3329000       4.322000      0.3290000     -0.5894000E-02  0.4681000
  1 1 1      18   -1   21 o    3.045000      0.2103000       3.015000 0.2917000       3.074000      0.3029000     -0.5846000E-01  0.4205000
  1 1 1      18   -1   22 o    7.000000      0.1454000       6.916000 0.1838000       7.083000      0.2253000     -0.1669000      0.2908000
  1 1 1      18   -1   23 o    9.635000      0.1782000       9.628000 0.2170000       9.643000      0.2827000     -0.1490000E-01  0.3564000
  1 1 1      18   -1   24 o    11.20000      0.2020000       10.93000 0.2380000       11.48000      0.3264000     -0.5505000      0.4039000
  1 1 1      18   -1   25 o    9.831000      0.2240000       9.831000 0.2240000                  ?              ?              ?              ?
  1 1 1      18    0    0 o    4.188000      0.2797000       3.564000 0.4356000       4.812000      0.3510000      -1.248000      0.5594000
  1 1 1      18    0    1 o    3.992000      0.2789000       4.237000 0.3803000       3.747000      0.4079000      0.4892000      0.5577000
  1 1 1      18    0    2 o    4.845000      0.2225000       5.047000 0.3087000       4.643000      0.3207000      0.4035000      0.4451000
  1 1 1      18    0    3 o    9.049000      0.2413000       9.575000 0.4032000       8.523000      0.2651000       1.052000      0.4825000
  1 1 1      18    0    4 o    6.045000      0.2121000       6.098000 0.3177000       5.992000      0.2809000      0.1060000      0.4241000
  1 1 1      18    0    5 o    10.08000      0.2381000       10.10000 0.3949000       10.07000      0.2659000      0.2545000E-01  0.4761000
  1 1 1      18    0    6 o    9.419000      0.1939000       9.265000 0.2865000       9.573000      0.2613000     -0.3088000      0.3878000
  1 1 1      18    0    7 o    7.708000      0.1865000       8.184000 0.2763000       7.231000      0.2505000      0.9533000      0.3730000
  1 1 1      18    0    8 o    5.435000      0.2007000       5.362000 0.3044000       5.507000      0.2617000     -0.1457000      0.4014000
  1 1 1      18    0    9 o    1.285000      0.4127000       1.189000 0.5574000       1.381000      0.6087000     -0.1924000      0.8254000
  1 1 1      18    0   10 o    1.395000      0.3697000       1.184000 0.5244000       1.606000      0.5214000     -0.4219000      0.7395000
  1 1 1      18    0   11 o    5.886000      0.1832000       5.960000 0.2744000       5.813000      0.2429000      0.1472000      0.3664000
  1 1 1      18    0   12 o    2.653000      0.3995000       2.801000 0.5950000       2.504000      0.5333000      0.2969000      0.7990000
  1 1 1      18    0   13 o    16.79000      0.3390000       16.94000 0.4869000       16.63000      0.4719000      0.3094000      0.6781000
  1 1 1      18    0   14 o    8.953000      0.1646000       8.980000 0.2398000       8.926000      0.2257000      0.5391000E-01  0.3293000
  1 1 1      18    0   15 o    6.003000      0.1570000       5.798000 0.2346000       6.208000      0.2088000     -0.4096000      0.3141000
  1 1 1      18    0   16 o    5.604000      0.1496000       5.624000 0.2199000       5.585000      0.2029000      0.3897000E-01  0.2992000
  1 1 1      18    0   17 o    6.889000      0.1448000       7.052000 0.2095000       6.727000      0.1998000      0.3256000      0.2895000
  1 1 1      18    0   18 o    9.172000      0.1624000       9.219000 0.2262000       9.125000      0.2331000      0.9419000E-01  0.3248000
  1 1 1      18    0   19 f    12.28000      0.2338000       12.62000 0.2949000       11.94000      0.3629000      0.6868000      0.4676000
  1 1 1      18    0   20 o    2.830000      0.3321000       2.907000 0.4830000       2.753000      0.4559000      0.1539000      0.6642000
  1 1 1      18    0   21 o    3.240000      0.1683000       3.396000 0.2319000       3.083000      0.2440000      0.3129000      0.3366000
  1 1 1      18    0   22 o    4.353000      0.1858000       4.129000 0.3369000       4.578000      0.1567000     -0.4494000      0.3716000
  1 1 1      18    1    0 o    6.132000      0.2190000       6.307000 0.3086000       5.958000      0.3107000      0.3497000      0.4379000
  1 1 1      18    1    1 o    8.030000      0.2018000       8.036000 0.2922000       8.023000      0.2785000      0.1315000E-01  0.4037000
  1 1 1      18    1    2 o    4.396000      0.2531000       4.041000 0.3775000       4.752000      0.3372000     -0.7108000      0.5061000
  1 1 1      18    1    3 o    5.756000      0.2056000       5.885000 0.2900000       5.627000      0.2914000      0.2581000      0.4111000
  1 1 1      18    1    4 f    8.471000      0.1863000       8.540000 0.2635000       8.402000      0.2635000      0.1381000      0.3727000
  1 1 1      18    1    5 o    4.372000      0.2319000       4.230000 0.3342000       4.514000      0.3217000     -0.2842000      0.4639000
  1 1 1      18    1    6 o    3.685000      0.2557000       3.881000 0.3560000       3.488000      0.3672000      0.3936000      0.5115000
  1 1 1      18    1    7 o    2.384000      0.4297000       2.093000 0.7250000       2.674000      0.4616000     -0.5813000      0.8594000
  1 1 1      18    1    8 o    4.460000      0.3293000       4.488000 0.4889000       4.432000      0.4413000      0.5558000E-01  0.6586000
  1 1 1      18    1    9 o    5.013000      0.1965000       5.135000 0.2999000       4.890000      0.2540000      0.2450000      0.3930000
  1 1 1      18    1   10 o    3.700000      0.2475000       3.612000 0.3793000       3.788000      0.3180000     -0.1759000      0.4950000
  1 1 1      18    1   12 o    2.499000      0.4320000       2.918000 0.6015000       2.080000      0.6203000      0.8378000      0.8641000
  1 1 1      18    1   13 o    20.74000      0.2910000       20.73000 0.4135000       20.75000      0.4095000     -0.1654000E-01  0.5819000
  1 1 1      18    1   14 o    4.317000      0.1885000       4.585000 0.2731000       4.048000      0.2598000      0.5368000      0.3769000
  1 1 1      18    1   15 o    3.359000      0.2141000       3.061000 0.3386000       3.657000      0.2623000     -0.5956000      0.4283000
  1 1 1      18    1   16 o    7.430000      0.1453000       7.491000 0.2109000       7.370000      0.2001000      0.1206000      0.2907000
  1 1 1      18    1   17 o    6.539000      0.1364000       6.281000 0.1966000       6.796000      0.1891000     -0.5144000      0.2728000
  1 1 1      18    1   18 o    7.603000      0.1418000       7.624000 0.1977000       7.581000      0.2033000      0.4327000E-01  0.2836000
  1 1 1      18    1   19 o    10.21000      0.2014000       10.38000 0.2450000       10.03000      0.3198000      0.3538000      0.4029000
  1 1 1      18    1   20 o    1.657000      0.3761000       1.978000 0.5257000       1.336000      0.5379000      0.6422000      0.7521000
  1 1 1      18    2    0 o    6.716000      0.2122000       6.650000 0.2991000       6.782000      0.3009000     -0.1312000      0.4243000
  1 1 1      18    2    1 f    8.494000      0.2810000                  ?       ?   8.494000      0.2810000                  ?              ?
  1 1 1      18    2    2 o    7.635000      0.1942000       7.610000 0.2780000       7.660000      0.2713000     -0.4998000E-01  0.3885000
  1 1 1      18    2    3 o    2.394000      0.3779000       3.027000 0.4552000       1.761000      0.6033000       1.266000      0.7557000
  1 1 1      18    2    4 o    17.27000      0.2582000       17.48000 0.3685000       17.07000      0.3618000      0.4142000      0.5164000
  1 1 1      18    2    5 o    3.862000      0.2568000       3.885000 0.3574000       3.839000      0.3689000      0.4603000E-01  0.5137000
  1 1 1      18    2    6 o    4.102000      0.2376000       4.085000 0.3404000       4.119000      0.3316000     -0.3386000E-01  0.4753000
  1 1 1      18    2    7 o    2.659000      0.4850000       2.690000 0.7047000       2.628000      0.6665000      0.6192000E-01  0.9700000
  1 1 1      18    2    8 o    6.750000      0.2664000       6.905000 0.3828000       6.594000      0.3705000      0.3112000      0.5328000
  1 1 1      18    2    9 o    8.864000      0.1750000       9.022000 0.2480000       8.705000      0.2471000      0.3168000      0.3500000
  1 1 1      18    2   10 o    10.72000      0.3576000                  ?       ?   10.72000      0.3576000                  ?              ?
  1 1 1      18    2   11 o    1.291000      0.3979000       1.668000 0.6620000      0.9133000      0.4417000      0.7545000      0.7959000
  1 1 1      18    2   12 o    2.816000      0.3072000       2.675000 0.4922000       2.957000      0.3678000     -0.2817000      0.6144000
  1 1 1      18    2   13 o    14.29000      0.2145000       14.45000 0.3087000       14.13000      0.2978000      0.3199000      0.4289000
  1 1 1      18    2   14 o    4.285000      0.1911000       4.675000 0.2742000       3.895000      0.2664000      0.7802000      0.3823000
  1 1 1      18    2   15 o    5.268000      0.1622000       5.182000 0.2403000       5.353000      0.2181000     -0.1709000      0.3245000
  1 1 1      18    2   16 o    5.434000      0.1500000       5.434000 0.2215000       5.435000      0.2024000     -0.1090000E-02  0.3001000
  1 1 1      18    2   17 o    5.301000      0.1366000       5.281000 0.2021000       5.322000      0.1839000     -0.4053000E-01  0.2732000
  1 1 1      18    2   18 o    2.088000      0.2457000       1.781000 0.4014000       2.394000      0.2835000     -0.6134000      0.4914000
  1 1 1      18    2   19 o    4.151000      0.1752000       4.127000 0.2165000       4.175000      0.2755000     -0.4723000E-01  0.3504000
  1 1 1      18    3    0 f    13.58000      0.2275000       13.91000 0.3256000       13.26000      0.3178000      0.6470000      0.4550000
  1 1 1      18    3    1 o    8.038000      0.2814000                  ?       ?   8.038000      0.2814000                  ?              ?
  1 1 1      18    3    2 o    7.109000      0.1988000       6.999000 0.2783000       7.219000      0.2839000     -0.2207000      0.3976000
  1 1 1      18    3    3 o    10.32000      0.1971000       10.34000 0.2779000       10.30000      0.2795000      0.3705000E-01  0.3942000
  1 1 1      18    3    4 o    9.956000      0.1952000       10.08000 0.2767000       9.832000      0.2755000      0.2486000      0.3905000
  1 1 1      18    3    5 o    1.592000      0.4058000       1.315000 0.5511000       1.868000      0.5958000     -0.5531000      0.8116000
  1 1 1      18    3    6 o    4.515000      0.2261000       4.585000 0.3156000       4.444000      0.3238000      0.1415000      0.4521000
  1 1 1      18    3    7 o    7.182000      0.2697000       7.012000 0.3966000       7.353000      0.3657000     -0.3414000      0.5395000
  1 1 1      18    3    8 o    7.887000      0.1754000       7.832000 0.2477000       7.942000      0.2485000     -0.1098000      0.3508000
  1 1 1      18    3    9 o    2.605000      0.3206000       2.748000 0.4150000       2.462000      0.4889000      0.2860000      0.6413000
  1 1 1      18    3   10 o    8.250000      0.2296000       8.430000 0.3190000       8.071000      0.3301000      0.3586000      0.4591000
  1 1 1      18    3   11 o    8.901000      0.1692000       9.160000 0.2437000       8.642000      0.2349000      0.5184000      0.3385000
  1 1 1      18    3   12 o    6.420000      0.1635000       6.383000 0.2291000       6.458000      0.2333000     -0.7539000E-01  0.3269000
  1 1 1      18    3   13 f    1.791000      0.3784000       1.390000 0.6094000       2.191000      0.4488000     -0.8013000      0.7569000
  1 1 1      18    3   14 o    11.02000      0.1800000       10.66000 0.2568000       11.37000      0.2524000     -0.7084000      0.3601000
  1 1 1      18    3   15 o    9.335000      0.1622000       9.061000 0.2325000       9.610000      0.2261000     -0.5488000      0.3243000
  1 1 1      18    3   16 o    8.081000      0.1488000       8.141000 0.2164000       8.021000      0.2042000      0.1195000      0.2975000
  1 1 1      18    3   17 o    7.319000      0.1381000       7.358000 0.2034000       7.279000      0.1868000      0.7825000E-01  0.2761000
  1 1 1      18    3   18 o    7.278000      0.1278000       7.511000 0.1875000       7.046000      0.1737000      0.4650000      0.2555000
  1 1 1      18    4    0 o    11.20000      0.2085000       11.05000 0.2941000       11.35000      0.2957000     -0.3020000      0.4171000
  1 1 1      18    4    1 o    8.860000      0.2013000       8.532000 0.2877000       9.188000      0.2815000     -0.6565000      0.4025000
  1 1 1      18    4    2 o    8.388000      0.1976000       8.403000 0.2817000       8.374000      0.2771000      0.2876000E-01  0.3952000
  1 1 1      18    4    3 o    4.294000      0.2552000       4.345000 0.3636000       4.243000      0.3583000      0.1013000      0.5104000
  1 1 1      18    4    4 o    8.490000      0.1895000       8.573000 0.2689000       8.406000      0.2671000      0.1664000      0.3791000
  1 1 1      18    4    5 o    4.508000      0.2348000       4.326000 0.3359000       4.690000      0.3280000     -0.3647000      0.4695000
  1 1 1      18    4    6 o    3.287000      0.4401000       3.460000 0.6000000       3.114000      0.6439000      0.3460000      0.8801000
  1 1 1      18    4    7 o    8.496000      0.2644000       8.579000 0.3837000       8.414000      0.3638000      0.1657000      0.5287000
  1 1 1      18    4    8 f    12.18000      0.2007000       12.12000 0.2839000       12.24000      0.2838000     -0.1179000      0.4014000
  1 1 1      18    4    9 o    4.421000      0.2801000       4.218000 0.3857000       4.624000      0.4061000     -0.4064000      0.5601000
  1 1 1      18    4   10 o    5.072000      0.2465000       4.957000 0.3324000       5.188000      0.3642000     -0.2314000      0.4931000
  1 1 1      18    4   11 o    3.921000      0.2126000       4.206000 0.2826000       3.635000      0.3178000      0.5709000      0.4253000
  1 1 1      18    4   12 f    6.274000      0.1668000       6.309000 0.2355000       6.239000      0.2362000      0.6998000E-01  0.3336000
  1 1 1      18    4   13 o    1.936000      0.3406000       2.267000 0.4318000       1.605000      0.5268000      0.6623000      0.6812000
  1 1 1      18    4   14 o    10.59000      0.1726000       10.76000 0.2466000       10.41000      0.2414000      0.3544000      0.3451000
  1 1 1      18    4   15 o    4.892000      0.1547000       5.027000 0.2147000       4.757000      0.2226000      0.2698000      0.3093000
  1 1 1      18    4   16 o    7.660000      0.1828000       7.669000 0.3064000       7.650000      0.1994000      0.1872000E-01  0.3656000
  1 1 1      18    4   17 o    6.200000      0.1371000       5.943000 0.2037000       6.456000      0.1837000     -0.5139000      0.2743000
  1 1 1      18    4   18 o    10.95000      0.1614000       10.78000 0.2289000       11.13000      0.2276000     -0.3463000      0.3228000
  1 1 1      18    5    0 o    9.786000      0.2030000       9.778000 0.2860000       9.795000      0.2881000     -0.1749000E-01  0.4060000
  1 1 1      18    5    1 o    8.734000      0.1993000       8.709000 0.2826000       8.759000      0.2812000     -0.4990000E-01  0.3986000
  1 1 1      18    5    2 o    4.432000      0.2534000       4.601000 0.3489000       4.262000      0.3676000      0.3387000      0.5068000
  1 1 1      18    5    3 o    8.660000      0.1924000       8.669000 0.2754000       8.650000      0.2687000      0.1866000E-01  0.3848000
  1 1 1      18    5    4 o    2.611000      0.3732000       3.065000 0.4537000       2.157000      0.5926000      0.9078000      0.7463000
  1 1 1      18    5    5 o    1.326000      0.3883000       1.064000 0.4939000       1.588000      0.5993000     -0.5241000      0.7766000
  1 1 1      18    5    6 o    6.822000      0.2748000       6.501000 0.4026000       7.144000      0.3741000     -0.6429000      0.5495000
  1 1 1      18    5    7 o    11.33000      0.2809000       11.93000 0.4125000       10.72000      0.3813000       1.213000      0.5618000
  1 1 1      18    5    8 o    4.367000      0.2230000       4.626000 0.3026000       4.107000      0.3276000      0.5190000      0.4460000
  1 1 1      18    5    9 o    5.977000      0.2514000       5.707000 0.3477000       6.247000      0.3632000     -0.5403000      0.5029000
  1 1 1      18    5   10 o    5.982000      0.2416000       6.008000 0.3222000       5.957000      0.3600000      0.5147000E-01  0.4831000
  1 1 1      18    5   11 o    2.825000      0.2961000       2.711000 0.4268000       2.939000      0.4106000     -0.2276000      0.5923000
  1 1 1      18    5   12 o    3.793000      0.2217000       3.826000 0.3170000       3.761000      0.3100000      0.6471000E-01  0.4434000
  1 1 1      18    5   13 o    4.084000      0.1947000       4.088000 0.2743000       4.079000      0.2765000      0.9354000E-02  0.3895000
  1 1 1      18    5   14 o    6.921000      0.1533000       6.990000 0.2156000       6.852000      0.2179000      0.1375000      0.3065000
  1 1 1      18    5   15 o    15.00000      0.2161000       14.96000 0.3051000       15.04000      0.3060000     -0.7891000E-01  0.4321000
  1 1 1      18    5   16 o    8.508000      0.1468000       8.574000 0.2089000       8.442000      0.2065000      0.1327000      0.2937000
  1 1 1      18    5   17 o    6.298000      0.1287000       6.259000 0.1850000       6.337000      0.1789000     -0.7831000E-01  0.2574000
  1 1 1      18    5   18 o    7.331000      0.1245000       7.360000 0.1783000       7.302000      0.1738000      0.5755000E-01  0.2490000
  1 1 1      18    6    0 o    6.377000      0.2058000       6.444000 0.2994000       6.309000      0.2825000      0.1352000      0.4116000
  1 1 1      18    6    1 o    9.094000      0.1992000       8.943000 0.2802000       9.245000      0.2833000     -0.3014000      0.3985000
  1 1 1      18    6    2 o    1.767000      0.4200000       1.577000 0.5618000       1.957000      0.6245000     -0.3804000      0.8400000
  1 1 1      18    6    3 o    6.979000      0.2000000       6.723000 0.2875000       7.235000      0.2781000     -0.5119000      0.4000000
  1 1 1      18    6    4 o    7.722000      0.1905000       7.725000 0.2691000       7.719000      0.2697000      0.5861000E-02  0.3810000
  1 1 1      18    6    5 o    1.841000      0.4276000       2.015000 0.6078000       1.667000      0.6015000      0.3486000      0.8551000
  1 1 1      18    6    6 o    7.923000      0.2704000       8.123000 0.3885000       7.723000      0.3762000      0.4001000      0.5407000
  1 1 1      18    6    7 o    9.029000      0.2665000       9.146000 0.3872000       8.912000      0.3663000      0.2339000      0.5330000
  1 1 1      18    6    8 o    3.292000      0.2842000       3.297000 0.4068000       3.286000      0.3971000      0.1112000E-01  0.5685000
  1 1 1      18    6    9 o    7.335000      0.2469000       7.202000 0.3401000       7.468000      0.3579000     -0.2664000      0.4937000
  1 1 1      18    6   10 o    4.892000      0.2833000       5.510000 0.3538000       4.275000      0.4426000       1.235000      0.5666000
  1 1 1      18    6   11 o    4.362000      0.2061000       4.299000 0.2939000       4.426000      0.2891000     -0.1271000      0.4122000
  1 1 1      18    6   12 f    8.140000      0.1653000       8.253000 0.2356000       8.028000      0.2319000      0.2244000      0.3306000
  1 1 1      18    6   13 o    7.198000      0.1602000       6.983000 0.2265000       7.413000      0.2265000     -0.4292000      0.3204000
  1 1 1      18    6   14 o    11.64000      0.1828000       11.73000 0.2602000       11.55000      0.2568000      0.1842000      0.3656000
  1 1 1      18    6   15 o    15.13000      0.2179000       15.26000 0.3108000       15.00000      0.3055000      0.2603000      0.4358000
  1 1 1      18    6   16 o    7.965000      0.1457000       7.913000 0.2080000       8.017000      0.2042000     -0.1038000      0.2915000
  1 1 1      18    6   17 o    2.372000      0.2316000       2.785000 0.2983000       1.959000      0.3543000      0.8264000      0.4631000
  1 1 1      18    6   18 o    2.857000      0.1664000       2.538000 0.2675000       3.177000      0.1980000     -0.6390000      0.3328000
  1 1 1      18    6   19 o    3.234000      0.1678000       3.345000 0.2871000       3.124000      0.1738000      0.2211000      0.3356000
  1 1 1      18    7    0 f    8.656000      0.2897000       8.656000 0.2897000                  ?              ?              ?              ?
  1 1 1      18    7    1 o    7.944000      0.2045000       7.608000 0.2895000       8.279000      0.2891000     -0.6710000      0.4091000
  1 1 1      18    7    2 o    8.606000      0.2808000                  ?       ?   8.606000      0.2808000                  ?              ?
  1 1 1      18    7    3 o    15.63000      0.2429000       15.64000 0.3437000       15.63000      0.3432000      0.1216000E-01  0.4857000
  1 1 1      18    7    4 o    8.434000      0.1928000       8.433000 0.2759000       8.434000      0.2692000     -0.9089000E-03  0.3855000
  1 1 1      18    7    5 o    4.301000      0.2461000       4.301000 0.3500000       4.300000      0.3460000      0.1013000E-02  0.4922000
  1 1 1      18    7    6 o    7.136000      0.2756000       7.155000 0.4032000       7.117000      0.3759000      0.3845000E-01  0.5513000
  1 1 1      18    7    7 o    7.131000      0.2609000       6.795000 0.3866000       7.467000      0.3504000     -0.6722000      0.5217000
  1 1 1      18    7    8 f    6.869000      0.1854000       6.754000 0.2684000       6.984000      0.2558000     -0.2301000      0.3708000
  1 1 1      18    7    9 o    3.970000      0.3426000       4.006000 0.4583000       3.933000      0.5095000      0.7294000E-01  0.6853000
  1 1 1      18    7   10 o    6.951000      0.2497000       7.244000 0.3429000       6.658000      0.3632000      0.5865000      0.4995000
  1 1 1      18    7   11 o    10.48000      0.1822000       10.84000 0.2611000       10.12000      0.2542000      0.7105000      0.3644000
  1 1 1      18    7   12 o    9.573000      0.1737000       9.644000 0.2489000       9.502000      0.2425000      0.1426000      0.3475000
  1 1 1      18    7   13 o    1.763000      0.3794000       1.632000 0.5474000       1.895000      0.5256000     -0.2631000      0.7589000
  1 1 1      18    7   14 o    10.64000      0.1732000       10.61000 0.2458000       10.68000      0.2441000     -0.6833000E-01  0.3465000
  1 1 1      18    7   15 o    12.19000      0.1857000       12.49000 0.2682000       11.89000      0.2568000      0.5991000      0.3713000
  1 1 1      18    7   16 o    7.829000      0.1450000       8.092000 0.2092000       7.566000      0.2009000      0.5262000      0.2900000
  1 1 1      18    7   17 o    2.821000      0.1907000       2.802000 0.2923000       2.840000      0.2451000     -0.3802000E-01  0.3814000
  1 1 1      18    7   18 o    6.566000      0.1239000       6.611000 0.1774000       6.520000      0.1730000      0.9110000E-01  0.2478000
  1 1 1      18    7   19 o    3.863000      0.1339000       3.745000 0.1704000       3.980000      0.2067000     -0.2346000      0.2679000
  1 1 1      18    7   20 o    6.287000      0.1841000       6.097000 0.2503000       6.478000      0.2700000     -0.3817000      0.3681000
  1 1 1      18    8    0 o    8.653000      0.2591000                  ?       ?   8.653000      0.2591000                  ?              ?
  1 1 1      18    8    1 o    1.245000      0.3931000       1.264000 0.5646000       1.227000      0.5472000      0.3653000E-01  0.7862000
  1 1 1      18    8    2 o    7.637000      0.2826000                  ?       ?   7.637000      0.2826000                  ?              ?
  1 1 1      18    8    3 o    10.61000      0.2027000       10.74000 0.2894000       10.48000      0.2839000      0.2616000      0.4054000
  1 1 1      18    8    4 o    8.501000      0.1931000       8.650000 0.2749000       8.353000      0.2714000      0.2965000      0.3863000
  1 1 1      18    8    5 o    5.761000      0.2092000       5.760000 0.3006000       5.761000      0.2911000     -0.1426000E-02  0.4185000
  1 1 1      18    8    6 o    4.280000      0.3860000       3.420000 0.6409000       5.141000      0.4303000      -1.720000      0.7719000
  1 1 1      18    8    7 o    2.730000      0.4877000       3.102000 0.6679000       2.358000      0.7107000      0.7445000      0.9753000
  1 1 1      18    8    8 o    2.558000      0.3652000       2.320000 0.5668000       2.796000      0.4606000     -0.4752000      0.7303000
  1 1 1      18    8    9 o    8.660000      0.1800000       8.799000 0.2586000       8.521000      0.2505000      0.2787000      0.3600000
  1 1 1      18    8   10 o    12.58000      0.2874000       13.00000 0.4070000       12.16000      0.4059000      0.8385000      0.5748000
  1 1 1      18    8   11 o    10.53000      0.2281000       10.51000 0.2550000       10.55000      0.3783000     -0.4114000E-01  0.4562000
  1 1 1      18    8   12 o    4.756000      0.1923000       4.638000 0.2870000       4.874000      0.2560000     -0.2359000      0.3846000
  1 1 1      18    8   13 o    10.12000      0.1741000       10.25000 0.2490000       9.996000      0.2435000      0.2504000      0.3483000
  1 1 1      18    8   14 o    9.441000      0.1642000       9.386000 0.2326000       9.496000      0.2318000     -0.1093000      0.3284000
  1 1 1      18    8   15 f    5.153000      0.1576000       5.322000 0.2323000       4.984000      0.2130000      0.3378000      0.3152000
  1 1 1      18    8   16 o    11.00000      0.1705000       11.08000 0.2424000       10.92000      0.2397000      0.1545000      0.3409000
  1 1 1      18    8   17 o    1.708000      0.2874000       1.467000 0.4580000       1.949000      0.3475000     -0.4820000      0.5749000
  1 1 1      18    8   18 o    9.058000      0.1455000       9.199000 0.2039000       8.918000      0.2077000      0.2813000      0.2911000
  1 1 1      18    8   19 o    3.568000      0.1783000       3.680000 0.2078000       3.456000      0.2897000      0.2240000      0.3565000
  1 1 1      18    8   20 o    9.595000      0.2071000       9.209000 0.2477000       9.981000      0.3319000     -0.7724000      0.4142000
  1 1 1      18    8   21 o    1.574000      0.3812000       1.608000 0.4965000       1.540000      0.5785000      0.6788000E-01  0.7624000
  1 1 1      18    8   22 o    3.616000      0.1568000       3.775000 0.1973000       3.457000      0.2438000      0.3180000      0.3136000
  1 1 1      18    8   23 o    6.910000      0.1270000       6.927000 0.1763000       6.892000      0.1828000      0.3485000E-01  0.2540000
  1 1 1      18    8   24 o    4.383000      0.2080000       4.058000 0.3266000       4.709000      0.2575000     -0.6514000      0.4159000
  1 1 1      18    8   25 o    1.062000      0.4935000       1.062000 0.4935000                  ?              ?              ?              ?
  1 1 1      18    8   29 o    5.514000      0.3060000       5.514000 0.3060000                  ?              ?              ?              ?
  1 1 1      18    8   30 o    1.136000      0.3309000       1.229000 0.4712000       1.044000      0.4648000      0.1849000      0.6619000
  1 1 1      18    8   31 o    1.789000      0.4270000       1.696000 0.5381000       1.882000      0.6633000     -0.1859000      0.8541000
  1 1 1      18    8   32 o    2.171000      0.3696000       2.420000 0.4763000       1.921000      0.5652000      0.4989000      0.7392000
  1 1 1      18    8   33 o    1.839000      0.4118000       1.606000 0.5913000       2.073000      0.5734000     -0.4674000      0.8237000
  1 1 1      18    9    0 o    7.105000      0.2146000       7.040000 0.3005000       7.170000      0.3064000     -0.1296000      0.4292000
  1 1 1      18    9    1 o    9.117000      0.2070000       8.980000 0.2981000       9.253000      0.2873000     -0.2734000      0.4141000
  1 1 1      18    9    2 o    17.54000      0.2660000       17.39000 0.3746000       17.68000      0.3778000     -0.2895000      0.5320000
  1 1 1      18    9    3 o    5.294000      0.2341000       5.641000 0.3234000       4.948000      0.3385000      0.6931000      0.4682000
  1 1 1      18    9    4 o    8.082000      0.1973000       8.244000 0.2870000       7.920000      0.2709000      0.3239000      0.3947000
  1 1 1      18    9    5 o    5.094000      0.2221000       5.261000 0.3141000       4.926000      0.3142000      0.3344000      0.4443000
  1 1 1      18    9    6 o    12.71000      0.2124000       12.58000 0.2993000       12.84000      0.3016000     -0.2544000      0.4249000
  1 1 1      18    9    7 o    3.767000      0.3716000       3.479000 0.5921000       4.056000      0.4491000     -0.5770000      0.7432000
  1 1 1      18    9    8 o    3.319000      0.4115000       3.727000 0.5773000       2.910000      0.5867000      0.8167000      0.8231000
  1 1 1      18    9    9 o    3.618000      0.2607000       3.455000 0.3986000       3.781000      0.3360000     -0.3260000      0.5213000
  1 1 1      18    9   10 o    11.07000      0.1910000       10.92000 0.2694000       11.22000      0.2709000     -0.3037000      0.3820000
  1 1 1      18    9   11 o    5.961000      0.2685000       5.818000 0.3714000       6.103000      0.3879000     -0.2850000      0.5370000
  1 1 1      18    9   12 o    9.566000      0.1703000       9.646000 0.2428000       9.486000      0.2390000      0.1600000      0.3407000
  1 1 1      18    9   13 o    2.322000      0.3204000       2.241000 0.4853000       2.403000      0.4183000     -0.1618000      0.6407000
  1 1 1      18    9   14 o    14.26000      0.2110000       14.34000 0.2986000       14.19000      0.2982000      0.1504000      0.4220000
  1 1 1      18    9   15 o    9.941000      0.1669000       9.963000 0.2364000       9.919000      0.2356000      0.4458000E-01  0.3338000
  1 1 1      18    9   16 o    14.06000      0.2043000       14.30000 0.2930000       13.81000      0.2849000      0.4857000      0.4087000
  1 1 1      18    9   17 o    6.827000      0.1352000       6.767000 0.1879000       6.888000      0.1944000     -0.1212000      0.2704000
  1 1 1      18    9   18 o    7.016000      0.1324000       7.135000 0.1827000       6.896000      0.1916000      0.2395000      0.2647000
  1 1 1      18    9   19 o    6.111000      0.1703000       6.192000 0.1995000       6.029000      0.2760000      0.1632000      0.3406000
  1 1 1      18    9   20 o    7.102000      0.2026000       6.661000 0.2535000       7.543000      0.3162000     -0.8811000      0.4053000
  1 1 1      18    9   21 o    5.760000      0.1868000       5.443000 0.2409000       6.077000      0.2857000     -0.6343000      0.3737000
  1 1 1      18    9   22 o    4.271000      0.1723000       4.420000 0.2143000       4.122000      0.2699000      0.2976000      0.3446000
  1 1 1      18    9   23 o    4.288000      0.1786000       4.179000 0.2816000       4.398000      0.2198000     -0.2192000      0.3572000
  1 1 1      18    9   24 o    1.392000      0.3333000       1.408000 0.4502000       1.376000      0.4917000      0.3223000E-01  0.6667000
  1 1 1      18    9   25 f   0.9636000      0.3015000      0.9465000 0.4135000      0.9807000      0.4390000     -0.3425000E-01  0.6031000
  1 1 1      18    9   26 o    1.627000      0.3387000       1.324000 0.4640000       1.931000      0.4936000     -0.6069000      0.6775000
  1 1 1      18    9   27 o    2.216000      0.2926000       2.280000 0.3800000       2.151000      0.4450000      0.1285000      0.5852000
  1 1 1      18    9   28 o    5.448000      0.1425000       5.458000 0.1875000       5.438000      0.2148000      0.1997000E-01  0.2851000
  1 1 1      18    9   29 o    5.735000      0.1969000       5.735000 0.1969000                  ?              ?              ?              ?
  1 1 1      18    9   30 o    1.708000      0.3899000       1.470000 0.5312000       1.946000      0.5710000     -0.4761000      0.7798000
  1 1 1      18    9   31 o    5.047000      0.2655000       5.224000 0.3044000       4.870000      0.4350000      0.3533000      0.5309000
  1 1 1      18    9   32 o    2.541000      0.3699000       2.396000 0.5340000       2.686000      0.5120000     -0.2904000      0.7398000
  1 1 1      18    9   33 o    1.979000      0.4471000       1.720000 0.6299000       2.238000      0.6347000     -0.5180000      0.8942000
  1 1 1      18   10    0 f    8.622000      0.2091000       8.581000 0.2939000       8.662000      0.2974000     -0.8085000E-01  0.4181000
  1 1 1      18   10    1 o    5.198000      0.2512000       5.172000 0.3586000       5.224000      0.3520000     -0.5280000E-01  0.5025000
  1 1 1      18   10    2 o    13.04000      0.2217000       12.94000 0.3117000       13.13000      0.3153000     -0.1866000      0.4433000
  1 1 1      18   10    3 o    7.553000      0.2080000       7.546000 0.2988000       7.560000      0.2895000     -0.1423000E-01  0.4160000
  1 1 1      18   10    4 o    3.755000      0.2947000       4.013000 0.3985000       3.498000      0.4342000      0.5150000      0.5894000
  1 1 1      18   10    5 o    2.877000      0.3582000       2.839000 0.5190000       2.916000      0.4938000     -0.7710000E-01  0.7164000
  1 1 1      18   10    6 o    7.110000      0.1932000       7.541000 0.2724000       6.679000      0.2740000      0.8616000      0.3863000
  1 1 1      18   10    7 o    1.805000      0.4274000       1.993000 0.6065000       1.616000      0.6025000      0.3774000      0.8549000
  1 1 1      18   10    8 o    4.397000      0.3299000       4.383000 0.5151000       4.410000      0.4124000     -0.2675000E-01  0.6598000
  1 1 1      18   10    9 o    3.758000      0.3608000       3.684000 0.5862000       3.832000      0.4207000     -0.1477000      0.7216000
  1 1 1      18   10   10 o    13.32000      0.2102000       13.10000 0.2948000       13.54000      0.2997000     -0.4375000      0.4204000
  1 1 1      18   10   11 o    7.885000      0.1714000       7.854000 0.2468000       7.916000      0.2380000     -0.6185000E-01  0.3428000
  1 1 1      18   10   12 o    11.61000      0.2759000       11.38000 0.3761000       11.83000      0.4038000     -0.4557000      0.5518000
  1 1 1      18   10   13 o    9.582000      0.2576000       9.463000 0.3533000       9.700000      0.3750000     -0.2366000      0.5152000
  1 1 1      18   10   14 o    15.77000      0.2287000       15.90000 0.3253000       15.65000      0.3214000      0.2538000      0.4573000
  1 1 1      18   10   15 o    16.08000      0.2304000       16.09000 0.3258000       16.07000      0.3258000      0.2434000E-01  0.4608000
  1 1 1      18   10   16 o    10.89000      0.1703000       11.08000 0.2423000       10.71000      0.2394000      0.3633000      0.3406000
  1 1 1      18   10   17 o    14.55000      0.2085000       14.60000 0.2936000       14.50000      0.2960000      0.1085000      0.4169000
  1 1 1      18   10   18 o    4.140000      0.1736000       4.122000 0.2164000       4.158000      0.2716000     -0.3584000E-01  0.3472000
  1 1 1      18   10   19 o    10.85000      0.1943000       11.11000 0.2485000       10.59000      0.2988000      0.5262000      0.3886000
  1 1 1      18   10   20 o    2.379000      0.3933000       2.893000 0.4334000       1.864000      0.6565000       1.029000      0.7867000
  1 1 1      18   10   21 o    4.575000      0.2279000       4.669000 0.2713000       4.482000      0.3661000      0.1868000      0.4557000
  1 1 1      18   10   22 o    4.781000      0.1756000       4.853000 0.2141000       4.709000      0.2783000      0.1445000      0.3511000
  1 1 1      18   10   23 o    11.16000      0.1690000       11.11000 0.2347000       11.22000      0.2432000     -0.1046000      0.3380000
  1 1 1      18   10   24 o    1.909000      0.3109000       2.101000 0.3879000       1.716000      0.4860000      0.3845000      0.6218000
  1 1 1      18   10   25 o    2.382000      0.2696000       2.244000 0.3865000       2.519000      0.3759000     -0.2752000      0.5391000
  1 1 1      18   10   26 o    2.401000      0.2857000       1.975000 0.4502000       2.826000      0.3519000     -0.8515000      0.5714000
  1 1 1      18   10   27 o    2.813000      0.2256000       2.757000 0.3054000       2.869000      0.3321000     -0.1125000      0.4512000
  1 1 1      18   10   28 o    4.052000      0.1924000       4.391000 0.2562000       3.714000      0.2870000      0.6772000      0.3847000
  1 1 1      18   10   29 o    2.366000      0.3264000       2.434000 0.5149000       2.298000      0.4014000      0.1368000      0.6528000
  1 1 1      18   10   30 o    4.174000      0.2150000       4.366000 0.2646000       3.982000      0.3389000      0.3838000      0.4300000
  1 1 1      18   10   31 o    3.045000      0.4880000                  ?       ?   3.045000      0.4880000                  ?              ?
  1 1 1      18   10   32 o    1.702000      0.4406000       1.820000 0.6296000       1.584000      0.6165000      0.2364000      0.8811000
  1 1 1      18   10   33 o    1.699000      0.4606000       1.568000 0.6492000       1.829000      0.6536000     -0.2608000      0.9212000
  1 1 1      18   11    0 o    9.935000      0.2093000       9.930000 0.2923000       9.941000      0.2998000     -0.1105000E-01  0.4186000
  1 1 1      18   11    1 o    1.520000      0.6306000       1.520000 0.6306000                  ?              ?              ?              ?
  1 1 1      18   11    2 o    2.135000      0.4495000       1.810000 0.6639000       2.460000      0.6062000     -0.6499000      0.8990000
  1 1 1      18   11    3 o    8.413000      0.2833000                  ?       ?   8.413000      0.2833000                  ?              ?
  1 1 1      18   11    4 o    9.932000      0.2011000       9.926000 0.2869000       9.939000      0.2819000     -0.1279000E-01  0.4022000
  1 1 1      18   11    5 o    10.73000      0.2001000       10.58000 0.2832000       10.88000      0.2826000     -0.3023000      0.4001000
  1 1 1      18   11    6 o    5.809000      0.2145000       5.733000 0.3065000       5.886000      0.3001000     -0.1530000      0.4290000
  1 1 1      18   11    7 o    7.592000      0.1911000       7.551000 0.2749000       7.633000      0.2655000     -0.8274000E-01  0.3822000
  1 1 1      18   11    8 o    8.985000      0.1878000       8.904000 0.2676000       9.066000      0.2634000     -0.1618000      0.3755000
  1 1 1      18   11    9 o    7.611000      0.2413000       7.789000 0.3661000       7.433000      0.3144000      0.3564000      0.4826000
  1 1 1      18   11   10 f    13.38000      0.2902000       13.58000 0.4226000       13.17000      0.3978000      0.4030000      0.5804000
  1 1 1      18   11   11 o    4.222000      0.2232000       4.254000 0.3200000       4.190000      0.3111000      0.6406000E-01  0.4464000
  1 1 1      18   11   12 o    8.976000      0.1723000       9.009000 0.2466000       8.943000      0.2406000      0.6626000E-01  0.3445000
  1 1 1      18   11   13 o    3.638000      0.2171000       3.656000 0.3142000       3.620000      0.2998000      0.3592000E-01  0.4343000
  1 1 1      18   11   14 o    14.19000      0.3070000       13.44000 0.4100000       14.93000      0.4570000      -1.486000      0.6140000
  1 1 1      18   11   15 o    6.913000      0.2452000       7.092000 0.3185000       6.734000      0.3728000      0.3578000      0.4903000
  1 1 1      18   11   16 o    6.921000      0.1448000       7.036000 0.2066000       6.806000      0.2028000      0.2294000      0.2895000
  1 1 1      18   11   17 o    4.243000      0.1576000       4.135000 0.2137000       4.352000      0.2316000     -0.2167000      0.3152000
  1 1 1      18   11   18 o   0.9994000      0.3215000      0.9585000 0.4271000       1.040000      0.4806000     -0.8184000E-01  0.6430000
  1 1 1      18   11   19 o    9.085000      0.2118000       8.576000 0.2389000       9.593000      0.3500000      -1.017000      0.4237000
  1 1 1      18   11   20 o    4.679000      0.2422000       4.417000 0.3093000       4.941000      0.3729000     -0.5245000      0.4845000
  1 1 1      18   11   21 o    5.697000      0.2122000       5.409000 0.2665000       5.985000      0.3303000     -0.5759000      0.4244000
  1 1 1      18   11   22 o    8.835000      0.1728000       9.092000 0.2339000       8.578000      0.2545000      0.5140000      0.3457000
  1 1 1      18   11   23 o    10.75000      0.1723000       10.85000 0.2418000       10.66000      0.2455000      0.1814000      0.3446000
  1 1 1      18   11   24 o    4.212000      0.1680000       4.113000 0.2309000       4.311000      0.2440000     -0.1977000      0.3360000
  1 1 1      18   11   25 o    4.108000      0.1735000       4.156000 0.2278000       4.060000      0.2617000      0.9556000E-01  0.3470000
  1 1 1      18   11   26 o    5.284000      0.1567000       5.420000 0.2148000       5.149000      0.2283000      0.2712000      0.3135000
  1 1 1      18   11   27 o    4.518000      0.1830000       4.930000 0.2381000       4.106000      0.2780000      0.8241000      0.3660000
  1 1 1      18   11   28 o    1.423000      0.3930000       1.521000 0.5764000       1.325000      0.5344000      0.1957000      0.7860000
  1 1 1      18   11   29 o    1.724000      0.3532000       2.488000 0.5366000      0.9606000      0.4594000       1.527000      0.7064000
  1 1 1      18   11   30 o    4.274000      0.2653000       4.310000 0.3866000       4.237000      0.3636000      0.7318000E-01  0.5307000
  1 1 1      18   11   31 o    3.316000      0.4497000       3.013000 0.7920000       3.620000      0.4261000     -0.6070000      0.8993000
  1 1 1      18   11   32 o    1.549000      0.4472000       1.626000 0.6427000       1.473000      0.6221000      0.1530000      0.8945000
  1 1 1      18   11   33 o    3.162000      0.6720000       4.241000 1.008000       2.083000      0.8887000       2.158000       1.344000
  1 1 1      18   12    0 o    11.35000      0.2170000       11.44000 0.3059000       11.27000      0.3078000      0.1652000      0.4340000
  1 1 1      18   12    1 o    10.69000      0.2987000       10.69000 0.2987000                  ?              ?              ?              ?
  1 1 1      18   12    2 o    9.377000      0.2063000       9.382000 0.2932000       9.371000      0.2904000      0.1135000E-01  0.4126000
  1 1 1      18   12    3 o    8.711000      0.2812000                  ?       ?   8.711000      0.2812000                  ?              ?
  1 1 1      18   12    4 o    1.378000      0.4149000       1.458000 0.6042000       1.298000      0.5688000      0.1592000      0.8298000
  1 1 1      18   12    5 o    5.384000      0.2285000       5.821000 0.3201000       4.948000      0.3261000      0.8728000      0.4570000
  1 1 1      18   12    6 o    9.509000      0.1906000       9.636000 0.2715000       9.382000      0.2677000      0.2535000      0.3812000
  1 1 1      18   12    7 o    3.231000      0.3333000       2.820000 0.5433000       3.642000      0.3864000     -0.8228000      0.6667000
  1 1 1      18   12    8 o    2.568000      0.3735000       2.664000 0.5373000       2.473000      0.5189000      0.1917000      0.7469000
  1 1 1      18   12    9 o    3.145000      0.2995000       3.102000 0.4585000       3.189000      0.3855000     -0.8716000E-01  0.5990000
  1 1 1      18   12   10 o    2.073000      0.4045000       1.664000 0.5969000       2.481000      0.5462000     -0.8176000      0.8090000
  1 1 1      18   12   11 o    2.981000      0.3715000       2.875000 0.5942000       3.087000      0.4460000     -0.2118000      0.7430000
  1 1 1      18   12   12 o    4.371000      0.2590000       4.288000 0.4055000       4.454000      0.3225000     -0.1659000      0.5181000
  1 1 1      18   12   13 o    5.387000      0.1742000       5.387000 0.2526000       5.386000      0.2398000      0.1644000E-02  0.3483000
  1 1 1      18   12   14 o    6.181000      0.1587000       6.050000 0.2306000       6.312000      0.2182000     -0.2623000      0.3174000
  1 1 1      18   12   15 o    11.42000      0.1789000       11.37000 0.2521000       11.46000      0.2539000     -0.9108000E-01  0.3578000
  1 1 1      18   12   16 o    10.37000      0.2563000       10.43000 0.3487000       10.30000      0.3758000      0.1360000      0.5127000
  1 1 1      18   12   17 o    2.758000      0.4342000       2.620000 0.5475000       2.896000      0.6741000     -0.2760000      0.8684000
  1 1 1      18   12   18 o    2.604000      0.4271000       2.656000 0.4848000       2.551000      0.7033000      0.1042000      0.8542000
  1 1 1      18   12   19 o    11.86000      0.2615000       11.86000 0.3624000       11.85000      0.3771000      0.1311000E-01  0.5230000
  1 1 1      18   12   20 o    3.173000      0.5655000       2.729000 1.042000       3.618000      0.4398000     -0.8886000       1.131000
  1 1 1      18   12   21 o    1.771000      0.4205000       1.937000 0.5535000       1.606000      0.6331000      0.3312000      0.8410000
  1 1 1      18   12   22 o    2.568000      0.3482000       2.889000 0.3809000       2.246000      0.5830000      0.6424000      0.6964000
  1 1 1      18   12   23 o    1.430000      0.3500000       1.769000 0.4976000       1.091000      0.4924000      0.6782000      0.7000000
  1 1 1      18   12   24 o    3.660000      0.1955000       3.684000 0.2528000       3.635000      0.2982000      0.4908000E-01  0.3910000
  1 1 1      18   12   25 o    6.331000      0.1479000       6.647000 0.2015000       6.014000      0.2165000      0.6330000      0.2958000
  1 1 1      18   12   26 o    6.849000      0.1973000       6.759000 0.2683000       6.939000      0.2893000     -0.1809000      0.3946000
  1 1 1      18   12   27 o    8.896000      0.2159000       9.280000 0.3083000       8.512000      0.3024000      0.7687000      0.4319000
  1 1 1      18   12   28 o    1.922000      0.4214000       2.458000 0.5954000       1.385000      0.5963000       1.073000      0.8427000
  1 1 1      18   12   29 o    1.619000      0.4754000       1.455000 0.6427000       1.783000      0.7007000     -0.3285000      0.9508000
  1 1 1      18   12   30 o    4.021000      0.4321000       3.556000 0.6454000       4.487000      0.5749000     -0.9305000      0.8643000
  1 1 1      18   12   31 o    2.964000      0.5077000       3.266000 0.5517000       2.661000      0.8523000      0.6054000       1.015000
  1 1 1      18   12   32 o    1.091000      0.3744000       1.046000 0.5143000       1.137000      0.5442000     -0.9052000E-01  0.7487000
  1 1 1      18   12   33 o    3.236000      0.4455000       2.843000 0.7092000       3.628000      0.5394000     -0.7853000      0.8910000
  1 1 1      18   13    0 o    10.62000      0.2161000       10.26000 0.3040000       10.98000      0.3072000     -0.7177000      0.4323000
  1 1 1      18   13    1 o    7.884000      0.2153000       7.924000 0.3101000       7.843000      0.2988000      0.8178000E-01  0.4306000
  1 1 1      18   13    2 o    4.851000      0.2642000       4.849000 0.3858000       4.853000      0.3611000     -0.3704000E-02  0.5284000
  1 1 1      18   13    3 o    3.650000      0.3384000       3.708000 0.4944000       3.592000      0.4622000      0.1158000      0.6768000
  1 1 1      18   13    4 o    4.695000      0.2588000       4.467000 0.4008000       4.924000      0.3275000     -0.4565000      0.5176000
  1 1 1      18   13    5 o    5.087000      0.2404000       4.853000 0.3546000       5.320000      0.3248000     -0.4670000      0.4809000
  1 1 1      18   13    6 o    6.194000      0.2063000       5.974000 0.3075000       6.414000      0.2753000     -0.4397000      0.4127000
  1 1 1      18   13    7 o    9.171000      0.1894000       9.189000 0.2690000       9.153000      0.2667000      0.3519000E-01  0.3788000
  1 1 1      18   13    8 o    5.180000      0.2051000       5.268000 0.2958000       5.092000      0.2840000      0.1764000      0.4101000
  1 1 1      18   13    9 o    7.280000      0.1876000       7.329000 0.2647000       7.231000      0.2658000      0.9821000E-01  0.3752000
  1 1 1      18   13   10 o    5.735000      0.1889000       5.686000 0.2742000       5.784000      0.2599000     -0.9804000E-01  0.3778000
  1 1 1      18   13   11 o    7.213000      0.1726000       7.194000 0.2428000       7.232000      0.2454000     -0.3768000E-01  0.3453000
  1 1 1      18   13   12 o    5.973000      0.1773000       5.907000 0.2535000       6.038000      0.2481000     -0.1314000      0.3547000
  1 1 1      18   13   13 o    8.778000      0.2167000       9.082000 0.3238000       8.474000      0.2881000      0.6076000      0.4334000
  1 1 1      18   13   14 o    6.640000      0.1977000       6.660000 0.2947000       6.620000      0.2636000      0.3936000E-01  0.3953000
  1 1 1      18   13   15 o    4.584000      0.2132000       4.452000 0.3305000       4.716000      0.2695000     -0.2636000      0.4265000
  1 1 1      18   13   16 o    5.805000      0.1560000       5.509000 0.2173000       6.101000      0.2238000     -0.5917000      0.3120000
  1 1 1      18   13   17 o    15.16000      0.2218000       15.07000 0.3067000       15.25000      0.3205000     -0.1824000      0.4436000
  1 1 1      18   13   18 o    7.579000      0.1949000       7.813000 0.2379000       7.344000      0.3089000      0.4689000      0.3899000
  1 1 1      18   13   19 o    6.695000      0.2145000       6.876000 0.2661000       6.513000      0.3365000      0.3631000      0.4290000
  1 1 1      18   13   20 o    10.57000      0.2331000       10.22000 0.2981000       10.92000      0.3586000     -0.6965000      0.4663000
  1 1 1      18   13   21 o    7.396000      0.2089000       7.276000 0.2747000       7.515000      0.3148000     -0.2384000      0.4178000
  1 1 1      18   13   22 o    4.529000      0.2366000       4.421000 0.3023000       4.638000      0.3639000     -0.2173000      0.4731000
  1 1 1      18   13   23 o    5.556000      0.1752000       5.716000 0.2287000       5.397000      0.2654000      0.3196000      0.3504000
  1 1 1      18   13   24 f    2.206000      0.3342000       2.422000 0.4003000       1.990000      0.5353000      0.4314000      0.6684000
  1 1 1      18   13   25 o    4.042000      0.1979000       4.094000 0.2719000       3.990000      0.2878000      0.1033000      0.3959000
  1 1 1      18   13   26 o    3.609000      0.2256000       3.493000 0.3209000       3.725000      0.3171000     -0.2315000      0.4511000
  1 1 1      18   13   27 o    5.109000      0.1875000       5.073000 0.2687000       5.145000      0.2616000     -0.7205000E-01  0.3750000
  1 1 1      18   13   28 o    1.674000      0.4192000       1.918000 0.6108000       1.429000      0.5742000      0.4889000      0.8383000
  1 1 1      18   13   29 o    3.529000      0.3439000       3.411000 0.5133000       3.647000      0.4577000     -0.2355000      0.6878000
  1 1 1      18   13   30 o    5.072000      0.3305000       5.062000 0.3940000       5.082000      0.5306000     -0.2045000E-01  0.6609000
  1 1 1      18   13   31 o    1.991000      0.5290000       1.993000 0.8293000       1.988000      0.6570000      0.5205000E-02   1.058000
  1 1 1      18   13   32 o    1.968000      0.5258000       1.519000 0.7116000       2.417000      0.7742000     -0.8977000       1.052000
  1 1 1      18   13   33 o    3.436000      0.5003000       2.316000 0.8294000       4.556000      0.5596000      -2.240000       1.001000
  1 1 1      18   14    0 o    5.834000      0.2507000       6.242000 0.3340000       5.427000      0.3739000      0.8147000      0.5013000
  1 1 1      18   14    1 o    7.502000      0.2175000       7.422000 0.3080000       7.583000      0.3072000     -0.1609000      0.4350000
  1 1 1      18   14    2 o    1.218000      0.3953000       1.225000 0.5656000       1.211000      0.5525000      0.1367000E-01  0.7907000
  1 1 1      18   14    3 o    2.695000      0.4212000       2.297000 0.6676000       3.093000      0.5137000     -0.7958000      0.8424000
  1 1 1      18   14    4 o    2.884000      0.3997000       2.483000 0.6622000       3.286000      0.4479000     -0.8027000      0.7994000
  1 1 1      18   14    5 o    5.393000      0.2264000       5.259000 0.3381000       5.527000      0.3013000     -0.2676000      0.4528000
  1 1 1      18   14    6 o    5.207000      0.2256000       4.946000 0.3378000       5.467000      0.2990000     -0.5205000      0.4511000
  1 1 1      18   14    7 o    8.663000      0.1874000       8.431000 0.2694000       8.895000      0.2606000     -0.4643000      0.3749000
  1 1 1      18   14    8 o    1.750000      0.4296000       1.889000 0.6230000       1.610000      0.5918000      0.2786000      0.8593000
  1 1 1      18   14    9 o    11.88000      0.2013000       11.87000 0.2834000       11.89000      0.2861000     -0.1718000E-01  0.4027000
  1 1 1      18   14   10 o    6.940000      0.1803000       6.829000 0.2583000       7.051000      0.2517000     -0.2220000      0.3607000
  1 1 1      18   14   11 o    11.93000      0.1986000       12.10000 0.2815000       11.77000      0.2802000      0.3302000      0.3972000
  1 1 1      18   14   12 o    4.100000      0.2101000       4.475000 0.2881000       3.725000      0.3058000      0.7497000      0.4201000
  1 1 1      18   14   13 o    5.943000      0.1682000       5.821000 0.2438000       6.066000      0.2317000     -0.2452000      0.3364000
  1 1 1      18   14   14 o    4.938000      0.1764000       4.632000 0.2592000       5.243000      0.2392000     -0.6103000      0.3527000
  1 1 1      18   14   15 o    3.365000      0.2289000       3.190000 0.3257000       3.539000      0.3217000     -0.3497000      0.4577000
  1 1 1      18   14   16 o    4.548000      0.2177000       4.541000 0.2556000       4.555000      0.3526000     -0.1408000E-01  0.4355000
  1 1 1      18   14   17 o    7.141000      0.2447000       7.307000 0.3060000       6.975000      0.3818000      0.3321000      0.4893000
  1 1 1      18   14   18 o    9.423000      0.4366000       9.802000 0.4168000       9.044000      0.7674000      0.7574000      0.8732000
  1 1 1      18   14   19 o    3.656000      0.7823000       4.353000 0.9950000       2.959000       1.207000       1.394000       1.565000
  1 1 1      18   14   20 o    5.744000      0.7350000       7.360000 0.8160000       4.127000       1.223000       3.233000       1.470000
  1 1 1      18   14   21 o    2.765000      0.7833000       3.228000 1.198000       2.303000       1.009000      0.9250000       1.567000
  1 1 1      18   14   22 o    4.220000      0.7181000       4.199000 0.8360000       4.242000       1.168000     -0.4245000E-01   1.436000
  1 1 1      18   14   23 o    9.585000      0.2870000       10.08000 0.3935000       9.087000      0.4180000      0.9948000      0.5741000
  1 1 1      18   14   24 o    3.150000      0.5124000       2.939000 0.7119000       3.361000      0.7371000     -0.4216000       1.025000
  1 1 1      18   14   25 o    2.132000      0.5033000       1.916000 0.7087000       2.348000      0.7148000     -0.4322000       1.007000
  1 1 1      18   14   26 o    5.540000      0.2779000       5.909000 0.3985000       5.170000      0.3875000      0.7393000      0.5558000
  1 1 1      18   14   27 o    4.698000      0.3399000       4.633000 0.5219000       4.762000      0.4357000     -0.1291000      0.6798000
  1 1 1      18   14   28 o    2.410000      0.5569000       2.412000 0.8327000       2.409000      0.7396000      0.2939000E-02   1.114000
  1 1 1      18   14   29 o    4.403000      0.4106000       4.398000 0.6556000       4.409000      0.4944000     -0.1035000E-01  0.8211000
  1 1 1      18   14   30 o    4.004000      0.4940000       4.004000 0.4940000                  ?              ?              ?              ?
  1 1 1      18   14   31 o    4.877000      0.3435000       4.465000 0.5420000       5.288000      0.4222000     -0.8230000      0.6870000
  1 1 1      18   14   32 o    4.236000      0.5954000       4.932000 0.9897000       3.540000      0.6622000       1.392000       1.191000
  1 1 1      18   15    0 o    5.090000      0.2614000       5.147000 0.3771000       5.033000      0.3621000      0.1140000      0.5228000
  1 1 1      18   15    1 o    4.869000      0.2716000       5.017000 0.3992000       4.721000      0.3683000      0.2961000      0.5431000
  1 1 1      18   15    2 o    3.951000      0.2995000       4.364000 0.4133000       3.538000      0.4335000      0.8265000      0.5989000
  1 1 1      18   15    3 o    5.794000      0.2327000       5.838000 0.3381000       5.749000      0.3197000      0.8958000E-01  0.4653000
  1 1 1      18   15    4 o    7.473000      0.2321000       7.026000 0.2861000       7.921000      0.3655000     -0.8950000      0.4642000
  1 1 1      18   15    5 o    13.71000      0.2234000       13.84000 0.3201000       13.58000      0.3117000      0.2642000      0.4468000
  1 1 1      18   15    6 o    5.469000      0.2237000       5.453000 0.3200000       5.485000      0.3127000     -0.3156000E-01  0.4474000
  1 1 1      18   15    7 o    4.824000      0.2318000       4.779000 0.3326000       4.869000      0.3230000     -0.8987000E-01  0.4636000
  1 1 1      18   15    8 o    8.241000      0.1873000       8.249000 0.2609000       8.233000      0.2689000      0.1537000E-01  0.3747000
  1 1 1      18   15    9 o    7.239000      0.1851000       7.441000 0.2611000       7.037000      0.2624000      0.4045000      0.3702000
  1 1 1      18   15   10 o    3.942000      0.2448000       3.890000 0.3642000       3.994000      0.3271000     -0.1035000      0.4895000
  1 1 1      18   15   11 o    7.188000      0.1751000       7.511000 0.2497000       6.864000      0.2455000      0.6467000      0.3502000
  1 1 1      18   15   12 o    4.822000      0.1891000       4.663000 0.2724000       4.980000      0.2624000     -0.3164000      0.3783000
  1 1 1      18   15   13 o    4.470000      0.1966000       4.475000 0.2945000       4.464000      0.2604000      0.1020000E-01  0.3931000
  1 1 1      18   15   14 o    6.610000      0.1641000       6.546000 0.2320000       6.673000      0.2323000     -0.1269000      0.3283000
  1 1 1      18   15   15 o    8.367000      0.1661000       8.775000 0.2293000       7.959000      0.2405000      0.8157000      0.3322000
  1 1 1      18   15   16 o    8.769000      0.1758000       8.703000 0.2335000       8.835000      0.2629000     -0.1316000      0.3516000
  1 1 1      18   15   17 o    2.222000      0.4301000       2.440000 0.5084000       2.004000      0.6940000      0.4364000      0.8603000
  1 1 1      18   15   18 o    6.377000      0.2331000       6.077000 0.2952000       6.676000      0.3608000     -0.5987000      0.4661000
  1 1 1      18   15   19 o    8.073000      0.2333000       7.928000 0.3008000       8.218000      0.3566000     -0.2904000      0.4665000
  1 1 1      18   15   20 o    7.316000      0.2301000       7.388000 0.2978000       7.243000      0.3509000      0.1446000      0.4603000
  1 1 1      18   15   21 o    3.242000      0.3241000       3.508000 0.3953000       2.976000      0.5138000      0.5318000      0.6482000
  1 1 1      18   15   22 o    7.486000      0.1979000       7.561000 0.2622000       7.411000      0.2965000      0.1501000      0.3958000
  1 1 1      18   15   23 o    5.969000      0.1990000       6.204000 0.2673000       5.734000      0.2949000      0.4701000      0.3980000
  1 1 1      18   15   24 o    4.664000      0.2179000       4.834000 0.2801000       4.494000      0.3339000      0.3406000      0.4358000
  1 1 1      18   15   25 o    3.074000      0.3215000       2.702000 0.4943000       3.445000      0.4111000     -0.7430000      0.6429000
  1 1 1      18   15   26 f    4.626000      0.2227000       4.919000 0.3007000       4.333000      0.3286000      0.5859000      0.4454000
  1 1 1      18   15   27 o    1.899000      0.4486000       1.869000 0.6466000       1.928000      0.6219000     -0.5833000E-01  0.8971000
  1 1 1      18   15   28 o    2.428000      0.4682000       2.827000 0.6556000       2.028000      0.6685000      0.7986000      0.9364000
  1 1 1      18   15   29 o    2.870000      0.4557000       3.099000 0.6318000       2.641000      0.6569000      0.4579000      0.9115000
  1 1 1      18   15   30 o    3.937000      0.5681000       3.937000 0.5681000                  ?              ?              ?              ?
  1 1 1      18   15   31 o    4.483000      0.4078000       3.702000 0.6936000       5.265000      0.4291000      -1.563000      0.8156000
  1 1 1      18   15   32 o    2.400000      0.7935000                  ?       ?   2.400000      0.7935000                  ?              ?
  1 1 1      18   16    0 o    2.515000      0.4765000       2.801000 0.6575000       2.229000      0.6898000      0.5715000      0.9529000
  1 1 1      18   16    1 o    10.82000      0.2146000       10.85000 0.3056000       10.79000      0.3013000      0.6460000E-01  0.4291000
  1 1 1      18   16    2 o    8.182000      0.3086000       8.182000 0.3086000                  ?              ?              ?              ?
  1 1 1      18   16    3 o    4.779000      0.2699000       4.286000 0.4228000       5.272000      0.3356000     -0.9853000      0.5398000
  1 1 1      18   16    4 o    11.66000      0.2991000                  ?       ?   11.66000      0.2991000                  ?              ?
  1 1 1      18   16    5 o    10.14000      0.2036000       9.849000 0.2871000       10.43000      0.2888000     -0.5846000      0.4072000
  1 1 1      18   16    6 o    1.351000      0.4064000       1.243000 0.5559000       1.460000      0.5930000     -0.2170000      0.8128000
  1 1 1      18   16    7 o    8.305000      0.1906000       8.096000 0.2697000       8.513000      0.2694000     -0.4172000      0.3812000
  1 1 1      18   16    8 o    4.717000      0.2343000       4.310000 0.3583000       5.124000      0.3021000     -0.8141000      0.4687000
  1 1 1      18   16    9 o    8.005000      0.1834000       8.075000 0.2646000       7.935000      0.2541000      0.1396000      0.3668000
  1 1 1      18   16   10 o    6.164000      0.1886000       5.905000 0.2732000       6.423000      0.2600000     -0.5178000      0.3771000
  1 1 1      18   16   11 o    3.851000      0.2359000       3.804000 0.3458000       3.899000      0.3210000     -0.9450000E-01  0.4718000
  1 1 1      18   16   12 o    5.246000      0.1885000       5.393000 0.2651000       5.099000      0.2681000      0.2939000      0.3770000
  1 1 1      18   16   13 o    4.937000      0.1887000       4.888000 0.2700000       4.985000      0.2636000     -0.9609000E-01  0.3773000
  1 1 1      18   16   14 o    5.682000      0.1773000       5.611000 0.2471000       5.754000      0.2543000     -0.1432000      0.3546000
  1 1 1      18   16   15 o    9.204000      0.1728000       9.252000 0.2349000       9.156000      0.2535000      0.9587000E-01  0.3456000
  1 1 1      18   16   16 o    4.530000      0.2322000       4.195000 0.3054000       4.864000      0.3500000     -0.6691000      0.4645000
  1 1 1      18   16   17 o    8.778000      0.2093000       9.043000 0.2599000       8.514000      0.3282000      0.5289000      0.4186000
  1 1 1      18   16   18 o    8.701000      0.2323000       8.419000 0.2761000       8.983000      0.3736000     -0.5642000      0.4646000
  1 1 1      18   16   19 o    3.370000      0.3894000       3.902000 0.3927000       2.839000      0.6727000       1.063000      0.7789000
  1 1 1      18   16   20 o    3.372000      0.3755000       3.772000 0.3871000       2.971000      0.6437000      0.8014000      0.7511000
  1 1 1      18   16   21 f    6.609000      0.2316000       6.240000 0.2949000       6.978000      0.3572000     -0.7377000      0.4632000
  1 1 1      18   16   22 o    14.71000      0.2769000       14.21000 0.3302000       15.21000      0.4446000     -0.9962000      0.5538000
  1 1 1      18   16   23 o    6.275000      0.2143000       6.293000 0.2783000       6.257000      0.3260000      0.3530000E-01  0.4286000
  1 1 1      18   16   24 o    5.949000      0.2131000       6.231000 0.2865000       5.667000      0.3156000      0.5634000      0.4263000
  1 1 1      18   16   25 o    6.366000      0.1961000       6.366000 0.2817000       6.366000      0.2728000      0.7200000E-04  0.3922000
  1 1 1      18   16   26 o    2.582000      0.4078000       2.505000 0.5983000       2.659000      0.5544000     -0.1537000      0.8157000
  1 1 1      18   16   27 o    1.927000      0.4795000       2.051000 0.7053000       1.803000      0.6497000      0.2474000      0.9589000
  1 1 1      18   16   28 o    1.477000      0.4521000       1.244000 0.5889000       1.711000      0.6861000     -0.4672000      0.9041000
  1 1 1      18   16   29 o    3.157000      0.4715000       2.694000 0.7497000       3.619000      0.5718000     -0.9253000      0.9429000
  1 1 1      18   16   30 o    1.664000      0.5110000       1.663000 0.7439000       1.665000      0.7008000     -0.2161000E-02   1.022000
  1 1 1      18   16   31 o    2.018000      0.5703000       2.170000 0.8448000       1.866000      0.7665000      0.3043000       1.141000
  1 1 1      18   16   32 o    2.143000      0.5667000       1.831000 0.7931000       2.455000      0.8098000     -0.6241000       1.133000
  1 1 1      18   17    0 o    3.568000      0.5382000       4.580000 0.5404000       2.556000      0.9310000       2.024000       1.076000
  1 1 1      18   17    1 o    5.050000      0.2774000       5.250000 0.3853000       4.850000      0.3990000      0.4008000      0.5547000
  1 1 1      18   17    2 o    4.101000      0.4621000       4.101000 0.4621000                  ?              ?              ?              ?
  1 1 1      18   17    3 o    3.614000      0.3362000       3.770000 0.4773000       3.458000      0.4736000      0.3113000      0.6724000
  1 1 1      18   17    4 f    1.895000      0.6511000                  ?       ?   1.895000      0.6511000                  ?              ?
  1 1 1      18   17    5 o    2.972000      0.3837000       2.726000 0.5984000       3.218000      0.4804000     -0.4926000      0.7674000
  1 1 1      18   17    6 o    4.733000      0.2424000       4.941000 0.3385000       4.524000      0.3471000      0.4170000      0.4848000
  1 1 1      18   17    7 o    1.712000      0.4326000       2.060000 0.6483000       1.365000      0.5731000      0.6957000      0.8653000
  1 1 1      18   17    8 o    9.764000      0.1941000       9.781000 0.2719000       9.747000      0.2770000      0.3405000E-01  0.3881000
  1 1 1      18   17    9 o    7.934000      0.1819000       7.790000 0.2567000       8.078000      0.2580000     -0.2876000      0.3639000
  1 1 1      18   17   10 o    4.719000      0.2192000       4.837000 0.3178000       4.602000      0.3022000      0.2358000      0.4385000
  1 1 1      18   17   11 o    6.065000      0.1859000       5.999000 0.2705000       6.131000      0.2552000     -0.1321000      0.3718000
  1 1 1      18   17   12 o    4.629000      0.2032000       4.807000 0.2895000       4.450000      0.2852000      0.3563000      0.4064000
  1 1 1      18   17   13 o    3.217000      0.2839000       2.856000 0.4325000       3.578000      0.3678000     -0.7217000      0.5678000
  1 1 1      18   17   14 o    7.623000      0.1701000       7.706000 0.2357000       7.540000      0.2452000      0.1663000      0.3401000
  1 1 1      18   17   15 o    8.967000      0.1822000       8.614000 0.2398000       9.320000      0.2743000     -0.7052000      0.3644000
  1 1 1      18   17   16 o    4.797000      0.2362000       5.016000 0.2785000       4.579000      0.3816000      0.4367000      0.4725000
  1 1 1      18   17   17 o    12.13000      0.2334000       11.92000 0.2964000       12.33000      0.3605000     -0.4118000      0.4667000
  1 1 1      18   17   18 o    9.755000      0.2913000       9.755000 0.2913000                  ?              ?              ?              ?
  1 1 1      18   17   19 o    2.654000      0.4546000       2.483000 0.5950000       2.825000      0.6874000     -0.3417000      0.9091000
  1 1 1      18   17   20 o    3.769000      0.3351000       3.200000 0.4997000       4.338000      0.4466000      -1.138000      0.6702000
  1 1 1      18   17   21 o    6.833000      0.2371000       6.455000 0.3041000       7.211000      0.3639000     -0.7554000      0.4742000
  1 1 1      18   17   22 o    11.04000      0.2394000       10.46000 0.2966000       11.61000      0.3759000      -1.155000      0.4788000
  1 1 1      18   17   23 o    2.989000      0.3969000       2.974000 0.5148000       3.004000      0.6041000     -0.3051000E-01  0.7937000
  1 1 1      18   17   24 o    6.656000      0.2347000       6.653000 0.2906000       6.659000      0.3687000     -0.6596000E-02  0.4695000
  1 1 1      18   17   25 o    5.115000      0.2527000       4.646000 0.3754000       5.583000      0.3385000     -0.9370000      0.5055000
  1 1 1      18   17   26 o    2.469000      0.4545000       2.796000 0.6159000       2.141000      0.6686000      0.6547000      0.9090000
  1 1 1      18   17   27 o    5.318000      0.2699000       5.467000 0.3998000       5.169000      0.3626000      0.2980000      0.5397000
  1 1 1      18   17   28 o    2.000000      0.5232000       1.963000 0.7574000       2.038000      0.7218000     -0.7461000E-01   1.046000
  1 1 1      18   17   29 o    1.799000      0.5113000       1.472000 0.6762000       2.125000      0.7672000     -0.6523000       1.023000
  1 1 1      18   17   30 o    1.920000      0.5480000       2.343000 0.8574000       1.496000      0.6828000      0.8470000       1.096000
  1 1 1      18   17   31 o    2.647000      0.5865000       2.186000 0.8674000       3.107000      0.7898000     -0.9209000       1.173000
  1 1 1      18   17   32 o    5.615000      0.9368000                  ?       ?   5.615000      0.9368000                  ?              ?
  1 1 1      18   18    0 o    1.984000      0.4968000       2.150000 0.7211000       1.817000      0.6834000      0.3329000      0.9935000
  1 1 1      18   18    1 o    4.212000      0.5264000       4.422000 0.6159000       4.002000      0.8539000      0.4200000       1.053000
  1 1 1      18   18    2 o    5.657000      0.4054000       5.438000 0.5116000       5.877000      0.6291000     -0.4389000      0.8108000
  1 1 1      18   18    3 o    1.438000      0.4314000       1.501000 0.6182000       1.374000      0.6019000      0.1267000      0.8628000
  1 1 1      18   18    4 o    2.130000      0.4593000       1.921000 0.6860000       2.338000      0.6110000     -0.4173000      0.9187000
  1 1 1      18   18    5 o    2.979000      0.3908000       2.619000 0.6310000       3.339000      0.4611000     -0.7198000      0.7815000
  1 1 1      18   18    6 o    2.532000      0.4172000       2.194000 0.6576000       2.870000      0.5136000     -0.6761000      0.8344000
  1 1 1      18   18    7 o    6.564000      0.2076000       6.488000 0.2962000       6.640000      0.2909000     -0.1519000      0.4152000
  1 1 1      18   18    8 o    5.290000      0.2206000       5.108000 0.3236000       5.473000      0.3000000     -0.3655000      0.4412000
  1 1 1      18   18    9 o    8.369000      0.1848000       8.507000 0.2694000       8.231000      0.2530000      0.2759000      0.3696000
  1 1 1      18   18   10 o    2.635000      0.3594000       2.961000 0.4858000       2.309000      0.5299000      0.6517000      0.7189000
  1 1 1      18   18   11 o    6.751000      0.1799000       6.895000 0.2533000       6.608000      0.2557000      0.2867000      0.3599000
  1 1 1      18   18   12 o    1.528000      0.3945000       1.818000 0.5850000       1.237000      0.5294000      0.5813000      0.7890000
  1 1 1      18   18   13 o    5.502000      0.1937000       5.182000 0.2683000       5.822000      0.2795000     -0.6405000      0.3874000
  1 1 1      18   18   14 f    5.767000      0.1987000       5.644000 0.2682000       5.890000      0.2933000     -0.2457000      0.3974000
  1 1 1      18   18   15 o    5.884000      0.2116000       5.833000 0.2681000       5.936000      0.3273000     -0.1032000      0.4231000
  1 1 1      18   18   16 f    9.042000      0.2054000       9.290000 0.2595000       8.794000      0.3185000      0.4957000      0.4108000
  1 1 1      18   18   17 o    3.088000      0.4304000       2.727000 0.5764000       3.449000      0.6393000     -0.7219000      0.8608000
  1 1 1      18   18   18 o    7.002000      0.2451000       7.061000 0.3089000       6.944000      0.3806000      0.1170000      0.4902000
  1 1 1      18   18   19 o    8.957000      0.2388000       8.793000 0.3117000       9.120000      0.3620000     -0.3262000      0.4777000
  1 1 1      18   18   20 o    1.419000      0.4356000       1.347000 0.5805000       1.490000      0.6496000     -0.1426000      0.8712000
  1 1 1      18   18   21 o    4.317000      0.2978000       4.251000 0.3974000       4.383000      0.4437000     -0.1325000      0.5956000
  1 1 1      18   18   22 o    4.027000      0.3202000       4.330000 0.3877000       3.723000      0.5098000      0.6068000      0.6405000
  1 1 1      18   18   23 o    5.112000      0.2759000       5.061000 0.3726000       5.163000      0.4069000     -0.1025000      0.5518000
  1 1 1      18   18   24 f    2.200000      0.4815000       1.804000 0.6692000       2.596000      0.6926000     -0.7924000      0.9631000
  1 1 1      18   18   25 f    2.332000      0.4721000       1.845000 0.6838000       2.819000      0.6512000     -0.9733000      0.9443000
  1 1 1      18   18   26 o    2.749000      0.4863000       2.480000 0.7317000       3.018000      0.6408000     -0.5378000      0.9727000
  1 1 1      18   18   27 o    2.869000      0.4662000       3.895000 0.5817000       1.842000      0.7288000       2.053000      0.9325000
  1 1 1      18   18   28 o    3.964000      0.4048000       3.561000 0.6472000       4.367000      0.4862000     -0.8060000      0.8095000
  1 1 1      18   18   29 o    1.479000      0.4780000       1.508000 0.6869000       1.450000      0.6650000      0.5790000E-01  0.9561000
  1 1 1      18   18   30 o    1.786000      0.5416000       1.578000 0.7273000       1.994000      0.8027000     -0.4155000       1.083000
  1 1 1      18   18   31 o    1.972000      0.5521000       2.657000 0.9103000       1.287000      0.6249000       1.370000       1.104000
  1 1 1      18   19    0 o    2.465000      0.4460000       3.281000 0.6000000       1.650000      0.6601000       1.631000      0.8921000
  1 1 1      18   19    1 o    1.842000      0.4592000       2.291000 0.6823000       1.393000      0.6148000      0.8974000      0.9185000
  1 1 1      18   19    2 o    3.855000      0.3414000       3.949000 0.4936000       3.760000      0.4719000      0.1891000      0.6829000
  1 1 1      18   19    3 o    5.432000      0.4151000       5.686000 0.5038000       5.179000      0.6598000      0.5063000      0.8302000
  1 1 1      18   19    4 o    7.746000      0.3266000       8.054000 0.4091000       7.437000      0.5093000      0.6172000      0.6533000
  1 1 1      18   19    5 o    5.789000      0.3879000       5.610000 0.4916000       5.967000      0.6000000     -0.3577000      0.7757000
  1 1 1      18   19    6 o    4.119000      0.2864000       4.270000 0.4064000       3.969000      0.4036000      0.3010000      0.5727000
  1 1 1      18   19    7 o    3.544000      0.3015000       3.674000 0.4201000       3.415000      0.4326000      0.2584000      0.6030000
  1 1 1      18   19    8 o    2.282000      0.4189000       2.610000 0.5930000       1.953000      0.5918000      0.6567000      0.8378000
  1 1 1      18   19    9 o    5.053000      0.2291000       5.250000 0.3225000       4.857000      0.3255000      0.3925000      0.4582000
  1 1 1      18   19   10 o    6.410000      0.1934000       6.778000 0.2708000       6.043000      0.2762000      0.7352000      0.3868000
  1 1 1      18   19   11 o    3.746000      0.2516000       3.709000 0.3835000       3.784000      0.3258000     -0.7493000E-01  0.5032000
  1 1 1      18   19   12 o    3.276000      0.3273000       2.544000 0.5431000       4.007000      0.3654000      -1.463000      0.6546000
  1 1 1      18   19   13 o    5.182000      0.2082000       5.013000 0.2887000       5.351000      0.3001000     -0.3383000      0.4164000
  1 1 1      18   19   14 o    11.43000      0.1987000       11.42000 0.2697000       11.44000      0.2920000     -0.1401000E-01  0.3975000
  1 1 1      18   19   15 o    7.442000      0.1991000       6.936000 0.2615000       7.947000      0.3004000      -1.012000      0.3983000
  1 1 1      18   19   16 o    2.979000      0.4549000       2.881000 0.5339000       3.077000      0.7368000     -0.1960000      0.9099000
  1 1 1      18   19   17 o    10.01000      0.2460000       10.07000 0.2964000       9.947000      0.3927000      0.1200000      0.4920000
  1 1 1      18   19   18 o    9.951000      0.2455000       9.711000 0.3090000       10.19000      0.3816000     -0.4803000      0.4910000
  1 1 1      18   19   19 o    16.65000      0.3424000       16.76000 0.4816000       16.53000      0.4868000      0.2284000      0.6848000
  1 1 1      18   19   20 o    9.062000      0.2495000       9.233000 0.3411000       8.891000      0.3641000      0.3419000      0.4989000
  1 1 1      18   19   21 o    8.900000      0.2384000       8.710000 0.3102000       9.089000      0.3621000     -0.3791000      0.4768000
  1 1 1      18   19   22 f    4.252000      0.3389000       4.478000 0.4457000       4.026000      0.5106000      0.4513000      0.6777000
  1 1 1      18   19   23 o    10.18000      0.2440000       10.51000 0.3129000       9.850000      0.3745000      0.6607000      0.4880000
  1 1 1      18   19   24 o    3.159000      0.4377000       3.593000 0.5270000       2.725000      0.6990000      0.8680000      0.8754000
  1 1 1      18   19   25 o    1.291000      0.4236000       1.124000 0.5436000       1.458000      0.6497000     -0.3347000      0.8472000
  1 1 1      18   19   26 o    4.488000      0.3425000       4.435000 0.4882000       4.541000      0.4806000     -0.1063000      0.6851000
  1 1 1      18   19   27 o    4.185000      0.4022000       4.177000 0.5890000       4.192000      0.5478000     -0.1472000E-01  0.8044000
  1 1 1      18   19   28 o    4.031000      0.4330000       4.017000 0.6305000       4.044000      0.5938000     -0.2693000E-01  0.8661000
  1 1 1      18   19   29 o    3.184000      0.5530000       3.286000 0.7883000       3.083000      0.7758000      0.2030000       1.106000
  1 1 1      18   19   30 o    2.761000      0.6048000       3.188000 0.8666000       2.335000      0.8439000      0.8528000       1.210000
  1 1 1      18   19   31 o    2.482000      0.9191000       2.482000 0.9191000                  ?              ?              ?              ?
  1 1 1      18   20    0 o    9.155000      0.2897000       8.597000 0.4308000       9.712000      0.3874000      -1.114000      0.5794000
  1 1 1      18   20    1 o    5.209000      0.3485000       5.438000 0.5323000       4.981000      0.4499000      0.4568000      0.6970000
  1 1 1      18   20    2 o    4.021000      0.3780000       4.193000 0.6110000       3.848000      0.4453000      0.3445000      0.7561000
  1 1 1      18   20    3 o    5.613000      0.3759000       5.613000 0.3759000                  ?              ?              ?              ?
  1 1 1      18   20    4 o    7.980000      0.2120000       7.828000 0.3072000       8.133000      0.2923000     -0.3043000      0.4240000
  1 1 1      18   20    5 o    4.635000      0.3022000       4.295000 0.4786000       4.974000      0.3689000     -0.6789000      0.6043000
  1 1 1      18   20    6 o    5.326000      0.4139000       5.526000 0.5142000       5.125000      0.6487000      0.4005000      0.8278000
  1 1 1      18   20    7 o    7.255000      0.3336000       6.996000 0.4495000       7.514000      0.4930000     -0.5175000      0.6671000
  1 1 1      18   20    8 o    6.261000      0.3484000       6.425000 0.4422000       6.098000      0.5385000      0.3261000      0.6967000
  1 1 1      18   20    9 o    2.540000      0.5667000       1.720000 0.7208000       3.360000      0.8746000      -1.640000       1.133000
  1 1 1      18   20   10 o    6.086000      0.3003000       5.649000 0.3000000       6.522000      0.5202000     -0.8732000      0.6006000
  1 1 1      18   20   11 o    9.952000      0.1900000       10.06000 0.2644000       9.845000      0.2730000      0.2139000      0.3800000
  1 1 1      18   20   12 o    4.804000      0.2276000       4.954000 0.2986000       4.653000      0.3436000      0.3006000      0.4552000
  1 1 1      18   20   13 o    5.325000      0.2198000       5.119000 0.2892000       5.532000      0.3309000     -0.4134000      0.4395000
  1 1 1      18   20   14 o    8.422000      0.1998000       8.432000 0.2639000       8.411000      0.3001000      0.2067000E-01  0.3996000
  1 1 1      18   20   15 o    4.509000      0.2881000       4.219000 0.3838000       4.798000      0.4298000     -0.5783000      0.5763000
  1 1 1      18   20   16 o    3.303000      0.4463000       3.595000 0.4565000       3.011000      0.7670000      0.5838000      0.8926000
  1 1 1      18   20   17 o    3.198000      0.4438000       3.216000 0.5163000       3.180000      0.7220000      0.3619000E-01  0.8876000
  1 1 1      18   20   18 o    9.217000      0.2514000       8.834000 0.3257000       9.600000      0.3829000     -0.7663000      0.5027000
  1 1 1      18   20   19 o    10.51000      0.2666000       10.68000 0.3655000       10.34000      0.3881000      0.3481000      0.5331000
  1 1 1      18   20   20 o    7.036000      0.2407000       7.136000 0.3124000       6.936000      0.3662000      0.2004000      0.4813000
  1 1 1      18   20   21 o    5.137000      0.2973000       5.243000 0.3864000       5.030000      0.4519000      0.2137000      0.5945000
  1 1 1      18   20   22 o    8.267000      0.2547000       7.717000 0.3389000       8.816000      0.3803000      -1.099000      0.5094000
  1 1 1      18   20   23 o    7.562000      0.2479000       7.619000 0.3349000       7.506000      0.3656000      0.1135000      0.4958000
  1 1 1      18   20   24 o    2.846000      0.4851000       2.038000 0.7456000       3.653000      0.6209000      -1.614000      0.9703000
  1 1 1      18   20   25 o    2.808000      0.5398000       2.745000 0.7759000       2.871000      0.7506000     -0.1264000       1.080000
  1 1 1      18   20   26 o    3.289000      0.5222000       4.210000 0.6371000       2.367000      0.8276000       1.843000       1.044000
  1 1 1      18   20   27 o    2.188000      0.5646000       2.023000 0.7995000       2.354000      0.7974000     -0.3316000       1.129000
  1 1 1      18   20   28 f    3.682000      0.5234000       4.042000 0.6668000       3.322000      0.8070000      0.7205000       1.047000
  1 1 1      18   20   29 o    1.990000      0.6525000       2.084000 0.9551000       1.896000      0.8894000      0.1881000       1.305000
  1 1 1      18   20   30 o    2.860000      0.7798000       2.381000 1.059000       3.339000       1.145000     -0.9576000       1.560000
  1 1 1      18   21    0 o    9.132000      0.2239000       9.238000 0.3200000       9.027000      0.3131000      0.2113000      0.4477000
  1 1 1      18   21    1 o    6.530000      0.2457000       6.481000 0.3518000       6.578000      0.3430000     -0.9648000E-01  0.4913000
  1 1 1      18   21    2 o    2.427000      0.4762000       1.939000 0.7237000       2.915000      0.6191000     -0.9762000      0.9524000
  1 1 1      18   21    3 o    5.790000      0.5182000       5.790000 0.5182000                  ?              ?              ?              ?
  1 1 1      18   21    4 o    3.934000      0.4496000       3.701000 0.7791000       4.168000      0.4488000     -0.4661000      0.8991000
  1 1 1      18   21    5 o    4.717000      0.4255000                  ?       ?   4.717000      0.4255000                  ?              ?
  1 1 1      18   21    6 f    9.288000      0.2038000       9.514000 0.2919000       9.062000      0.2846000      0.4517000      0.4077000
  1 1 1      18   21    7 f    8.640000      0.1987000       8.630000 0.2827000       8.650000      0.2793000     -0.1994000E-01  0.3973000
  1 1 1      18   21    8 o    1.699000      0.4410000       1.874000 0.6517000       1.525000      0.5945000      0.3485000      0.8821000
  1 1 1      18   21    9 o    7.536000      0.1948000       7.249000 0.2860000       7.823000      0.2645000     -0.5741000      0.3896000
  1 1 1      18   21   10 o    6.801000      0.1970000       6.738000 0.2766000       6.864000      0.2807000     -0.1263000      0.3941000
  1 1 1      18   21   11 o    8.969000      0.2961000       9.184000 0.3867000       8.754000      0.4484000      0.4305000      0.5921000
  1 1 1      18   21   12 o    4.716000      0.4043000       4.842000 0.4619000       4.589000      0.6638000      0.2528000      0.8087000
  1 1 1      18   21   13 o    3.532000      0.5135000       3.454000 0.6600000       3.611000      0.7869000     -0.1573000       1.027000
  1 1 1      18   21   14 o    2.022000      0.5524000       1.699000 0.7028000       2.346000      0.8523000     -0.6473000       1.105000
  1 1 1      18   21   15 o    3.145000      0.4977000       2.237000 0.7302000       4.053000      0.6765000      -1.816000      0.9954000
  1 1 1      18   21   16 o    3.065000      0.5091000       3.378000 0.5656000       2.752000      0.8467000      0.6257000       1.018000
  1 1 1      18   21   17 o    5.778000      0.2958000       5.529000 0.3808000       6.026000      0.4527000     -0.4967000      0.5915000
  1 1 1      18   21   18 o    2.099000      0.4903000       1.336000 0.6008000       2.862000      0.7749000      -1.526000      0.9805000
  1 1 1      18   21   19 o    3.330000      0.4526000       3.281000 0.5744000       3.380000      0.6995000     -0.9918000E-01  0.9052000
  1 1 1      18   21   20 o    3.692000      0.4171000       3.584000 0.5483000       3.801000      0.6288000     -0.2169000      0.8343000
  1 1 1      18   21   21 o    2.900000      0.5559000       2.569000 0.7973000       3.231000      0.7749000     -0.6616000       1.112000
  1 1 1      18   21   22 o    7.444000      0.3000000       7.796000 0.4112000       7.091000      0.4369000      0.7041000      0.6000000
  1 1 1      18   21   23 o    2.335000      0.5786000       2.683000 0.8388000       1.987000      0.7973000      0.6952000       1.157000
  1 1 1      18   21   24 o    6.346000      0.3570000       6.192000 0.5147000       6.500000      0.4948000     -0.3089000      0.7140000
  1 1 1      18   21   25 o    3.316000      0.6810000       2.893000 1.004000       3.738000      0.9203000     -0.8448000       1.362000
  1 1 1      18   21   26 f    3.728000      0.7137000       3.855000 0.9930000       3.601000       1.025000      0.2533000       1.427000
  1 1 1      18   21   27 o    5.193000      0.3382000       4.810000 0.4964000       5.576000      0.4593000     -0.7660000      0.6763000
  1 1 1      18   21   28 o    2.935000      0.5923000       2.384000 0.8643000       3.486000      0.8102000      -1.103000       1.185000
  1 1 1      18   21   29 o    2.704000      0.6296000       2.552000 0.9191000       2.855000      0.8607000     -0.3036000       1.259000
  1 1 1      18   21   30 o    2.223000      0.6319000       2.133000 0.8839000       2.313000      0.9032000     -0.1792000       1.264000
  1 1 1      18   22    0 o    6.777000      0.2444000       6.675000 0.3540000       6.880000      0.3369000     -0.2053000      0.4887000
  1 1 1      18   22    1 o    3.821000      0.3862000       4.686000 0.4432000       2.957000      0.6325000       1.729000      0.7723000
  1 1 1      18   22    2 o    5.766000      0.2563000       5.787000 0.3614000       5.745000      0.3634000      0.4134000E-01  0.5125000
  1 1 1      18   22    3 o    4.203000      0.2910000       4.350000 0.4633000       4.056000      0.3523000      0.2939000      0.5820000
  1 1 1      18   22    4 o    4.743000      0.2805000       4.612000 0.4267000       4.874000      0.3641000     -0.2623000      0.5609000
  1 1 1      18   22    5 o    1.488000      0.4380000       1.295000 0.5991000       1.682000      0.6392000     -0.3874000      0.8761000
  1 1 1      18   22    6 o    7.346000      0.2722000       7.492000 0.4171000       7.199000      0.3499000      0.2933000      0.5444000
  1 1 1      18   22    7 o    3.563000      0.4117000       3.577000 0.6789000       3.549000      0.4659000      0.2810000E-01  0.8234000
  1 1 1      18   22    8 o    8.531000      0.2503000       8.612000 0.3739000       8.450000      0.3329000      0.1612000      0.5006000
  1 1 1      18   22    9 o    4.756000      0.3150000       4.371000 0.5185000       5.141000      0.3580000     -0.7707000      0.6301000
  1 1 1      18   22   10 o    6.614000      0.2595000       6.610000 0.3800000       6.619000      0.3536000     -0.8272000E-02  0.5191000
  1 1 1      18   22   11 o    8.602000      0.2337000       9.037000 0.3723000       8.166000      0.2825000      0.8712000      0.4674000
  1 1 1      18   22   12 o    6.404000      0.2270000       6.421000 0.3053000       6.388000      0.3360000      0.3271000E-01  0.4539000
  1 1 1      18   22   13 o    3.550000      0.3675000       2.877000 0.5707000       4.222000      0.4633000      -1.345000      0.7350000
  1 1 1      18   22   14 o    7.249000      0.2260000       7.377000 0.2851000       7.121000      0.3508000      0.2553000      0.4520000
  1 1 1      18   22   15 o    7.200000      0.2598000       7.356000 0.3256000       7.044000      0.4048000      0.3119000      0.5195000
  1 1 1      18   22   16 o    4.714000      0.3366000       4.288000 0.4386000       5.139000      0.5106000     -0.8508000      0.6731000
  1 1 1      18   22   17 o    4.018000      0.7092000       3.690000 1.286000       4.345000      0.5983000     -0.6543000       1.418000
  1 1 1      18   22   18 o    8.515000      0.2702000       8.433000 0.3596000       8.596000      0.4034000     -0.1636000      0.5404000
  1 1 1      18   22   19 o    6.184000      0.2945000       6.342000 0.3661000       6.026000      0.4613000      0.3161000      0.5889000
  1 1 1      18   22   20 o    6.932000      0.2877000       6.690000 0.3874000       7.174000      0.4254000     -0.4846000      0.5753000
  1 1 1      18   22   21 o    4.885000      0.3652000       4.899000 0.5319000       4.870000      0.5004000      0.2834000E-01  0.7303000
  1 1 1      18   22   22 o    1.500000      0.4798000       1.608000 0.7075000       1.392000      0.6483000      0.2162000      0.9596000
  1 1 1      18   22   23 o    4.389000      0.4318000       4.971000 0.5365000       3.808000      0.6768000       1.163000      0.8636000
  1 1 1      18   22   24 o    4.092000      0.4736000       4.319000 0.6059000       3.865000      0.7281000      0.4546000      0.9473000
  1 1 1      18   22   25 o    3.179000      0.5944000       3.509000 0.7890000       2.850000      0.8893000      0.6590000       1.189000
  1 1 1      18   22   26 o    2.331000      0.5386000       1.350000 0.6535000       3.312000      0.8564000      -1.962000       1.077000
  1 1 1      18   22   27 o    2.761000      0.6800000       2.782000 1.063000       2.740000      0.8479000      0.4154000E-01   1.360000
  1 1 1      18   22   28 o    2.664000      0.7402000       2.641000 1.060000       2.686000       1.033000     -0.4512000E-01   1.480000
  1 1 1      18   22   29 o    2.777000      0.6624000       3.768000 1.030000       1.785000      0.8337000       1.983000       1.325000
  1 1 1      18   23    0 o    2.877000      0.4828000       2.445000 0.7357000       3.309000      0.6252000     -0.8638000      0.9655000
  1 1 1      18   23    1 o    4.979000      0.3050000       4.979000 0.4573000       4.978000      0.4037000      0.5655000E-03  0.6100000
  1 1 1      18   23    2 o    2.379000      0.4926000       2.561000 0.7133000       2.197000      0.6794000      0.3637000      0.9851000
  1 1 1      18   23    3 o    4.545000      0.2974000       4.661000 0.4426000       4.429000      0.3972000      0.2324000      0.5947000
  1 1 1      18   23    4 o    3.620000      0.3473000       4.157000 0.4616000       3.084000      0.5190000       1.073000      0.6945000
  1 1 1      18   23    5 o    3.319000      0.3942000       3.367000 0.5913000       3.272000      0.5214000      0.9562000E-01  0.7884000
  1 1 1      18   23    6 o    5.667000      0.2445000       5.390000 0.3580000       5.944000      0.3330000     -0.5543000      0.4889000
  1 1 1      18   23    7 o    2.920000      0.4031000       2.695000 0.6450000       3.146000      0.4837000     -0.4515000      0.8062000
  1 1 1      18   23    8 o    4.256000      0.2820000       4.168000 0.4219000       4.343000      0.3742000     -0.1755000      0.5639000
  1 1 1      18   23    9 o    11.01000      0.2057000       11.14000 0.2867000       10.88000      0.2951000      0.2537000      0.4114000
  1 1 1      18   23   10 o    8.562000      0.1974000       8.792000 0.2748000       8.332000      0.2834000      0.4598000      0.3947000
  1 1 1      18   23   11 f    5.783000      0.2309000       6.000000 0.3111000       5.566000      0.3412000      0.4336000      0.4617000
  1 1 1      18   23   12 o    9.167000      0.2586000       9.019000 0.2832000       9.315000      0.4328000     -0.2952000      0.5172000
  1 1 1      18   23   13 o    3.666000      0.5648000       3.353000 0.8042000       3.978000      0.7934000     -0.6247000       1.130000
  1 1 1      18   23   14 o    11.10000      0.3761000       11.78000 0.4701000       10.42000      0.5871000       1.352000      0.7521000
  1 1 1      18   23   15 o    3.327000      0.8485000       1.917000 0.8896000       4.736000       1.445000      -2.819000       1.697000
  1 1 1      18   23   16 o    3.839000      0.9072000       3.370000 1.121000       4.309000       1.427000     -0.9386000       1.814000
  1 1 1      18   23   17 o    3.423000      0.8894000       3.675000 1.221000       3.171000       1.293000      0.5039000       1.779000
  1 1 1      18   23   18 f    3.676000      0.9266000       3.418000 1.268000       3.935000       1.351000     -0.5174000       1.853000
  1 1 1      18   23   19 o    2.754000      0.8500000       3.253000 1.318000       2.256000       1.074000      0.9979000       1.700000
  1 1 1      18   23   20 o    2.707000      0.8338000       2.334000 1.081000       3.080000       1.270000     -0.7465000       1.668000
  1 1 1      18   23   21 f    3.502000      0.9058000       3.581000 1.215000       3.424000       1.344000      0.1567000       1.812000
  1 1 1      18   23   22 o    4.596000      0.8918000       4.149000 1.186000       5.044000       1.332000     -0.8950000       1.784000
  1 1 1      18   23   23 o    5.572000      0.7593000       6.063000 0.8721000       5.081000       1.243000      0.9817000       1.519000
  1 1 1      18   23   24 o    5.874000      0.6577000       6.339000 0.8419000       5.408000       1.011000      0.9309000       1.315000
  1 1 1      18   23   25 o    2.491000      0.6345000       2.334000 0.8816000       2.648000      0.9129000     -0.3148000       1.269000
  1 1 1      18   23   26 o    1.757000      0.5597000       1.921000 0.8252000       1.592000      0.7565000      0.3296000       1.119000
  1 1 1      18   23   27 o    2.139000      0.5850000       2.640000 0.8945000       1.639000      0.7541000       1.001000       1.170000
  1 1 1      18   23   28 o    2.440000      0.6361000       2.660000 0.9205000       2.220000      0.8783000      0.4401000       1.272000
  1 1 1      18   24    0 o    3.716000      0.3903000       3.857000 0.5746000       3.575000      0.5284000      0.2816000      0.7807000
  1 1 1      18   24    1 o    5.476000      0.2913000       5.238000 0.4429000       5.714000      0.3785000     -0.4763000      0.5826000
  1 1 1      18   24    2 o    2.221000      0.4851000       1.786000 0.7041000       2.657000      0.6675000     -0.8706000      0.9702000
  1 1 1      18   24    3 o    1.840000      0.4868000       1.847000 0.6935000       1.833000      0.6835000      0.1449000E-01  0.9737000
  1 1 1      18   24    4 o    5.216000      0.2688000       5.158000 0.3826000       5.273000      0.3777000     -0.1155000      0.5376000
  1 1 1      18   24    5 o    3.811000      0.3378000       3.520000 0.5184000       4.101000      0.4334000     -0.5807000      0.6757000
  1 1 1      18   24    6 o    6.206000      0.2418000       5.620000 0.3645000       6.793000      0.3178000      -1.173000      0.4836000
  1 1 1      18   24    7 o    7.358000      0.2133000       7.140000 0.3149000       7.576000      0.2877000     -0.4358000      0.4265000
  1 1 1      18   24    8 o    12.35000      0.2178000       12.53000 0.3076000       12.18000      0.3086000      0.3533000      0.4357000
  1 1 1      18   24    9 o    7.266000      0.2116000       7.475000 0.2873000       7.057000      0.3107000      0.4181000      0.4232000
  1 1 1      18   24   10 o    8.559000      0.2063000       8.837000 0.2870000       8.282000      0.2965000      0.5553000      0.4127000
  1 1 1      18   24   11 o    8.930000      0.2136000       9.000000 0.2861000       8.860000      0.3173000      0.1404000      0.4272000
  1 1 1      18   24   12 o    6.688000      0.2461000       6.965000 0.3004000       6.411000      0.3899000      0.5536000      0.4923000
  1 1 1      18   24   13 o    6.955000      0.2481000       7.196000 0.3057000       6.714000      0.3909000      0.4828000      0.4962000
  1 1 1      18   24   14 o    11.12000      0.2499000       11.58000 0.3162000       10.66000      0.3870000      0.9185000      0.4997000
  1 1 1      18   24   15 o    2.778000      0.5156000       3.191000 0.5934000       2.364000      0.8434000      0.8269000       1.031000
  1 1 1      18   24   16 o    3.670000      0.4719000       4.254000 0.4837000       3.087000      0.8104000       1.168000      0.9438000
  1 1 1      18   24   17 o    3.587000      0.4845000       4.223000 0.5179000       2.950000      0.8189000       1.273000      0.9689000
  1 1 1      18   24   18 o    2.071000      0.5647000       1.838000 0.7395000       2.304000      0.8537000     -0.4655000       1.129000
  1 1 1      18   24   19 o    2.447000      0.5161000       3.119000 0.6806000       1.775000      0.7761000       1.344000       1.032000
  1 1 1      18   24   20 o    1.920000      0.5510000       1.877000 0.7446000       1.963000      0.8125000     -0.8666000E-01   1.102000
  1 1 1      18   24   21 o    2.724000      0.5734000       3.299000 0.7602000       2.150000      0.8585000       1.149000       1.147000
  1 1 1      18   24   22 o    2.278000      0.5870000       2.615000 0.8396000       1.941000      0.8206000      0.6739000       1.174000
  1 1 1      18   24   23 o    2.187000      0.6151000       2.254000 0.8707000       2.120000      0.8692000      0.1346000       1.230000
  1 1 1      18   24   24 o    2.341000      0.6005000       3.039000 0.9197000       1.643000      0.7725000       1.396000       1.201000
  1 1 1      18   24   25 o    2.170000      0.6159000       1.677000 0.7648000       2.662000      0.9656000     -0.9843000       1.232000
  1 1 1      18   24   26 o    2.057000      0.6079000       2.324000 0.9005000       1.790000      0.8169000      0.5337000       1.216000
  1 1 1      18   24   27 o    2.106000      0.6175000       2.223000 0.8890000       1.989000      0.8572000      0.2335000       1.235000
  1 1 1      18   24   28 o    2.494000      0.6314000       1.989000 0.8518000       2.998000      0.9322000      -1.008000       1.263000
  1 1 1      18   25    0 o    3.839000      0.3910000       3.789000 0.5804000       3.888000      0.5240000     -0.9927000E-01  0.7820000
  1 1 1      18   25    1 o    3.250000      0.4240000       3.493000 0.6125000       3.007000      0.5865000      0.4859000      0.8480000
  1 1 1      18   25    2 o    2.368000      0.5120000       2.433000 0.7584000       2.303000      0.6880000      0.1306000       1.024000
  1 1 1      18   25    3 o    2.074000      0.4710000       1.525000 0.6551000       2.622000      0.6768000      -1.097000      0.9419000
  1 1 1      18   25    4 o    4.763000      0.4041000       4.763000 0.4041000                  ?              ?              ?              ?
  1 1 1      18   25    5 o    9.716000      0.2154000       9.658000 0.3081000       9.774000      0.3011000     -0.1160000      0.4308000
  1 1 1      18   25    6 o    3.319000      0.5366000                  ?       ?   3.319000      0.5366000                  ?              ?
  1 1 1      18   25    7 o    4.204000      0.3160000       4.116000 0.4698000       4.292000      0.4227000     -0.1761000      0.6320000
  1 1 1      18   25    8 o    5.557000      0.2519000       5.526000 0.3383000       5.587000      0.3733000     -0.6172000E-01  0.5038000
  1 1 1      18   25    9 o    9.194000      0.2065000       9.256000 0.2883000       9.132000      0.2957000      0.1238000      0.4130000
  1 1 1      18   25   10 o    7.123000      0.2358000       6.986000 0.3233000       7.260000      0.3433000     -0.2741000      0.4716000
  1 1 1      18   25   11 o    1.786000      0.4922000       2.098000 0.7214000       1.475000      0.6698000      0.6224000      0.9844000
  1 1 1      18   25   12 o    2.009000      0.5202000       1.676000 0.6795000       2.341000      0.7879000     -0.6650000       1.040000
  1 1 1      18   25   13 o    1.592000      0.4940000       1.528000 0.6511000       1.656000      0.7432000     -0.1286000      0.9881000
  1 1 1      18   25   14 o    4.490000      0.3922000       4.259000 0.4796000       4.721000      0.6208000     -0.4618000      0.7845000
  1 1 1      18   25   15 o    1.839000      0.5313000       1.395000 0.6322000       2.284000      0.8541000     -0.8887000       1.063000
  1 1 1      18   25   16 o    4.612000      0.4204000       4.942000 0.4763000       4.283000      0.6928000      0.6585000      0.8408000
  1 1 1      18   25   17 o    4.865000      0.4019000       4.943000 0.4784000       4.788000      0.6459000      0.1550000      0.8037000
  1 1 1      18   25   18 o    2.765000      0.5908000       2.565000 0.7928000       2.965000      0.8761000     -0.4000000       1.182000
  1 1 1      18   25   19 o    8.101000      0.3191000       8.258000 0.4156000       7.944000      0.4844000      0.3143000      0.6382000
  1 1 1      18   25   20 o    4.715000      0.4481000       4.889000 0.5789000       4.540000      0.6843000      0.3493000      0.8963000
  1 1 1      18   25   21 o    2.731000      0.6250000       2.498000 0.8542000       2.965000      0.9126000     -0.4675000       1.250000
  1 1 1      18   25   22 o    1.870000      0.5751000       2.027000 0.8339000       1.713000      0.7924000      0.3143000       1.150000
  1 1 1      18   25   23 o    5.855000      0.4072000       5.918000 0.5358000       5.793000      0.6134000      0.1251000      0.8145000
  1 1 1      18   25   24 o    2.395000      0.6628000       2.381000 0.9124000       2.410000      0.9616000     -0.2951000E-01   1.326000
  1 1 1      18   25   25 o    2.844000      0.6278000       3.561000 0.8685000       2.127000      0.9067000       1.434000       1.256000
  1 1 1      18   25   26 o    2.966000      0.6325000       3.674000 0.8646000       2.259000      0.9234000       1.414000       1.265000
  1 1 1      18   25   27 o    2.000000      0.6189000       1.948000 0.8496000       2.053000      0.9001000     -0.1046000       1.238000
  1 1 1      18   26    0 o    9.177000      0.2327000       9.056000 0.3343000       9.298000      0.3239000     -0.2421000      0.4655000
  1 1 1      18   26    1 o    6.242000      0.2689000       6.025000 0.4208000       6.460000      0.3350000     -0.4353000      0.5379000
  1 1 1      18   26    2 o    2.090000      0.5218000       2.132000 0.7631000       2.048000      0.7120000      0.8376000E-01   1.044000
  1 1 1      18   26    3 o    4.559000      0.3111000       4.573000 0.4266000       4.544000      0.4528000      0.2936000E-01  0.6221000
  1 1 1      18   26    4 o    1.279000      0.5957000       1.279000 0.5957000                  ?              ?              ?              ?
  1 1 1      18   26    5 o    9.310000      0.2171000       8.905000 0.3093000       9.714000      0.3047000     -0.8096000      0.4341000
  1 1 1      18   26    6 o    5.922000      0.3485000                  ?       ?   5.922000      0.3485000                  ?              ?
  1 1 1      18   26    7 o    2.445000      0.4651000       1.859000 0.7108000       3.031000      0.6000000      -1.173000      0.9302000
  1 1 1      18   26    8 o    12.11000      0.2220000       12.34000 0.3082000       11.89000      0.3196000      0.4432000      0.4440000
  1 1 1      18   26    9 o    3.596000      0.3915000       3.796000 0.5059000       3.397000      0.5976000      0.3989000      0.7829000
  1 1 1      18   26   10 o    5.373000      0.2998000       5.371000 0.3963000       5.374000      0.4501000     -0.2938000E-02  0.5997000
  1 1 1      18   26   11 o    3.714000      0.4152000       3.253000 0.5722000       4.175000      0.6017000     -0.9223000      0.8304000
  1 1 1      18   26   12 o    4.828000      0.3380000       4.810000 0.4144000       4.846000      0.5342000     -0.3600000E-01  0.6761000
  1 1 1      18   26   13 o    2.017000      0.5633000       1.659000 0.7012000       2.375000      0.8819000     -0.7160000       1.127000
  1 1 1      18   26   14 o    2.448000      0.5855000       2.101000 0.7513000       2.794000      0.8982000     -0.6932000       1.171000
  1 1 1      18   26   15 o    2.993000      0.5696000       3.286000 0.6906000       2.701000      0.9059000      0.5850000       1.139000
  1 1 1      18   26   16 o    1.802000      0.5411000       1.794000 0.7414000       1.810000      0.7885000     -0.1584000E-01   1.082000
  1 1 1      18   26   17 o    2.222000      0.5937000       1.889000 0.7651000       2.555000      0.9081000     -0.6660000       1.187000
  1 1 1      18   26   18 o    6.446000      0.3419000       6.422000 0.4293000       6.469000      0.5322000     -0.4670000E-01  0.6838000
  1 1 1      18   26   19 o    7.654000      0.3380000       7.336000 0.4236000       7.973000      0.5269000     -0.6368000      0.6761000
  1 1 1      18   26   20 o    1.797000      0.5650000       1.575000 0.7242000       2.020000      0.8674000     -0.4452000       1.130000
  1 1 1      18   26   21 o    2.241000      0.6409000       2.185000 0.8828000       2.296000      0.9293000     -0.1115000       1.282000
  1 1 1      18   26   22 o    2.419000      0.6530000       2.012000 0.8541000       2.826000      0.9880000     -0.8148000       1.306000
  1 1 1      18   26   23 o    4.140000      0.5928000       3.953000 0.8337000       4.327000      0.8429000     -0.3742000       1.186000
  1 1 1      18   26   24 o    3.819000      0.6385000       4.610000 0.7493000       3.029000       1.034000       1.580000       1.277000
  1 1 1      18   26   25 o    3.165000      0.6579000       3.614000 0.8918000       2.717000      0.9674000      0.8968000       1.316000
  1 1 1      18   26   26 o    2.252000      0.5965000       2.923000 0.9224000       1.581000      0.7565000       1.341000       1.193000
  1 1 1      18   27    0 o    8.174000      0.2439000       8.050000 0.3550000       8.298000      0.3344000     -0.2474000      0.4877000
  1 1 1      18   27    1 o    2.142000      0.4926000       1.728000 0.7302000       2.555000      0.6613000     -0.8269000      0.9851000
  1 1 1      18   27    2 o    5.486000      0.2864000       5.408000 0.4138000       5.565000      0.3960000     -0.1571000      0.5728000
  1 1 1      18   27    3 o    7.615000      0.2299000       7.306000 0.3408000       7.924000      0.3088000     -0.6185000      0.4599000
  1 1 1      18   27    4 o    5.064000      0.3049000                  ?       ?   5.064000      0.3049000                  ?              ?
  1 1 1      18   27    5 o    4.024000      0.3665000       3.902000 0.5298000       4.146000      0.5064000     -0.2442000      0.7329000
  1 1 1      18   27    6 o    4.067000      0.3525000       3.290000 0.5440000       4.845000      0.4485000      -1.555000      0.7050000
  1 1 1      18   27    7 o    6.650000      0.2456000       6.818000 0.3362000       6.482000      0.3580000      0.3367000      0.4911000
  1 1 1      18   27    8 o    12.08000      0.2275000       12.53000 0.3174000       11.63000      0.3260000      0.8948000      0.4550000
  1 1 1      18   27    9 f    4.319000      0.3638000       4.151000 0.5025000       4.487000      0.5263000     -0.3365000      0.7276000
  1 1 1      18   27   10 o    2.107000      0.5358000       1.765000 0.6861000       2.449000      0.8232000     -0.6843000       1.072000
  1 1 1      18   27   11 o    2.326000      0.5364000       2.455000 0.7128000       2.196000      0.8018000      0.2590000       1.073000
  1 1 1      18   27   12 o    2.619000      0.5820000       2.715000 0.7488000       2.523000      0.8911000      0.1916000       1.164000
  1 1 1      18   27   13 o    2.164000      0.5777000       2.174000 0.7521000       2.155000      0.8771000      0.1930000E-01   1.155000
  1 1 1      18   27   14 o    2.195000      0.5631000       2.509000 0.7711000       1.881000      0.8207000      0.6286000       1.126000
  1 1 1      18   27   15 o    5.039000      0.4009000       5.157000 0.4977000       4.922000      0.6286000      0.2351000      0.8018000
  1 1 1      18   27   16 o    2.499000      0.6153000       2.402000 0.8150000       2.596000      0.9221000     -0.1937000       1.231000
  1 1 1      18   27   17 o    2.558000      0.6009000       2.993000 0.8149000       2.123000      0.8833000      0.8698000       1.202000
  1 1 1      18   27   18 o    4.046000      0.5383000       4.823000 0.6069000       3.269000      0.8891000       1.554000       1.077000
  1 1 1      18   27   19 o    2.364000      0.6159000       1.809000 0.7972000       2.919000      0.9390000      -1.110000       1.232000
  1 1 1      18   27   20 o    2.346000      0.6428000       1.852000 0.8249000       2.839000      0.9860000     -0.9874000       1.286000
  1 1 1      18   27   21 o    2.622000      0.6750000       2.242000 0.9022000       3.002000       1.004000     -0.7597000       1.350000
  1 1 1      18   27   22 o    4.174000      0.6006000       4.013000 0.8697000       4.336000      0.8286000     -0.3231000       1.201000
  1 1 1      18   27   23 o    3.667000      0.6506000       4.508000 0.8005000       2.825000       1.026000       1.683000       1.301000
  1 1 1      18   27   24 o    3.165000      0.6950000       3.604000 0.9390000       2.726000       1.025000      0.8775000       1.390000
  1 1 1      18   27   25 o    1.857000      0.5926000       1.814000 0.8125000       1.901000      0.8630000     -0.8656000E-01   1.185000
  1 1 1      18   28    0 o    3.612000      0.4491000       4.055000 0.5736000       3.169000      0.6913000      0.8858000      0.8983000
  1 1 1      18   28    1 o    4.989000      0.3240000       5.413000 0.4497000       4.566000      0.4665000      0.8468000      0.6479000
  1 1 1      18   28    2 o    6.147000      0.2639000       6.388000 0.3833000       5.906000      0.3627000      0.4821000      0.5277000
  1 1 1      18   28    3 o    3.078000      0.4702000       2.683000 0.7478000       3.472000      0.5702000     -0.7887000      0.9404000
  1 1 1      18   28    4 o    4.420000      0.3382000       4.980000 0.4231000       3.860000      0.5278000       1.120000      0.6765000
  1 1 1      18   28    5 o    5.631000      0.2920000       5.047000 0.4486000       6.216000      0.3741000      -1.169000      0.5841000
  1 1 1      18   28    6 o    7.303000      0.2541000       7.431000 0.3541000       7.175000      0.3644000      0.2558000      0.5081000
  1 1 1      18   28    7 o    6.210000      0.2791000       6.302000 0.3767000       6.118000      0.4119000      0.1834000      0.5582000
  1 1 1      18   28    8 o    6.271000      0.2840000       6.773000 0.3599000       5.769000      0.4395000       1.004000      0.5681000
  1 1 1      18   28    9 o    3.912000      0.4257000       3.916000 0.5604000       3.908000      0.6408000      0.7311000E-02  0.8513000
  1 1 1      18   28   10 o    3.050000      0.5251000       3.555000 0.6187000       2.544000      0.8487000       1.011000       1.050000
  1 1 1      18   28   11 o    4.349000      0.4408000       4.464000 0.5127000       4.233000      0.7171000      0.2303000      0.8815000
  1 1 1      18   28   12 o    4.346000      0.4968000       4.658000 0.5155000       4.034000      0.8494000      0.6236000      0.9936000
  1 1 1      18   28   13 o    4.998000      0.4284000       5.341000 0.4674000       4.655000      0.7182000      0.6862000      0.8569000
  1 1 1      18   28   14 o    4.527000      0.4364000       4.561000 0.5178000       4.494000      0.7025000      0.6703000E-01  0.8727000
  1 1 1      18   28   15 o    3.402000      0.5822000       3.899000 0.6694000       2.906000      0.9526000      0.9930000       1.164000
  1 1 1      18   28   16 o    2.137000      0.5912000       2.420000 0.8407000       1.854000      0.8315000      0.5660000       1.182000
  1 1 1      18   28   17 o    2.766000      0.6315000       3.024000 0.8375000       2.508000      0.9454000      0.5156000       1.263000
  1 1 1      18   28   18 o    4.046000      0.6110000       4.798000 0.6952000       3.293000       1.005000       1.505000       1.222000
  1 1 1      18   28   19 o    3.395000      0.6757000       3.643000 0.8735000       3.148000       1.031000      0.4954000       1.351000
  1 1 1      18   28   20 o    1.698000      0.5641000       1.550000 0.7365000       1.847000      0.8547000     -0.2970000       1.128000
  1 1 1      18   28   21 o    2.663000      0.7042000       2.863000 0.9926000       2.462000      0.9991000      0.4014000       1.408000
  1 1 1      18   28   22 o    2.478000      0.6921000       2.621000 0.9785000       2.334000      0.9792000      0.2863000       1.384000
  1 1 1      18   28   23 o    4.110000      0.6588000       4.478000 0.8315000       3.742000       1.022000      0.7366000       1.318000
  1 1 1      18   28   24 o    1.646000      0.5571000       1.620000 0.7699000       1.672000      0.8053000     -0.5199000E-01   1.114000
  1 1 1      18   29    0 o    6.053000      0.3678000       6.162000 0.6428000       5.944000      0.3576000      0.2182000      0.7356000
  1 1 1      18   29    1 o    7.006000      0.5089000       7.016000 0.5949000       6.995000      0.8258000      0.2126000E-01   1.018000
  1 1 1      18   29    2 o    3.350000      0.7492000       3.496000 0.9157000       3.204000       1.186000      0.2921000       1.498000
  1 1 1      18   29    3 o    4.058000      0.7090000       3.250000 0.9272000       4.867000       1.073000      -1.617000       1.418000
  1 1 1      18   29    4 o    7.153000      0.4587000       7.517000 0.4952000       6.789000      0.7723000      0.7277000      0.9174000
  1 1 1      18   29    5 o    6.783000      0.4244000       6.911000 0.3372000       6.655000      0.7789000      0.2564000      0.8487000
  1 1 1      18   29    6 o    3.360000      0.4847000       2.890000 0.7653000       3.831000      0.5951000     -0.9414000      0.9694000
  1 1 1      18   29    7 o    5.076000      0.3659000       5.134000 0.4802000       5.017000      0.5522000      0.1163000      0.7318000
  1 1 1      18   29    8 o    2.069000      0.5660000       1.740000 0.7439000       2.398000      0.8533000     -0.6578000       1.132000
  1 1 1      18   29    9 o    2.429000      0.5690000       2.760000 0.7699000       2.098000      0.8381000      0.6620000       1.138000
  1 1 1      18   29   10 o    1.906000      0.5556000       1.934000 0.7522000       1.879000      0.8178000      0.5554000E-01   1.111000
  1 1 1      18   29   11 o    3.664000      0.5471000       3.762000 0.6185000       3.566000      0.9026000      0.1966000       1.094000
  1 1 1      18   29   12 o    3.857000      0.5419000       3.970000 0.6457000       3.744000      0.8705000      0.2262000       1.084000
  1 1 1      18   29   13 o    1.984000      0.5826000       1.634000 0.7285000       2.335000      0.9094000     -0.7011000       1.165000
  1 1 1      18   29   14 o    2.204000      0.5684000       2.671000 0.8071000       1.737000      0.8004000      0.9337000       1.137000
  1 1 1      18   29   15 o    2.189000      0.6197000       2.092000 0.8049000       2.287000      0.9425000     -0.1950000       1.239000
  1 1 1      18   29   16 o    2.348000      0.6391000       1.922000 0.7952000       2.774000       1.001000     -0.8516000       1.278000
  1 1 1      18   29   17 o    4.163000      0.6256000       4.615000 0.6990000       3.711000       1.038000      0.9040000       1.251000
  1 1 1      18   29   18 o    2.342000      0.6819000       2.034000 0.8856000       2.651000       1.037000     -0.6167000       1.364000
  1 1 1      18   29   19 o    2.837000      0.7259000       2.737000 0.9937000       2.936000       1.059000     -0.1992000       1.452000
  1 1 1      18   29   20 o    2.558000      0.7090000       2.395000 0.9580000       2.722000       1.045000     -0.3272000       1.418000
  1 1 1      18   29   21 o    1.897000      0.6144000       2.001000 0.8854000       1.794000      0.8519000      0.2065000       1.229000
  1 1 1      18   29   22 o    2.055000      0.6439000       1.926000 0.8609000       2.185000      0.9576000     -0.2589000       1.288000
  1 1 1      18   29   23 o    2.258000      0.6796000       2.067000 0.9011000       2.450000       1.018000     -0.3829000       1.359000
  1 1 1      18   30    0 o    4.375000      0.5204000       3.706000 0.9201000       5.043000      0.4867000      -1.337000       1.041000
  1 1 1      18   30    1 o    6.797000      0.2939000       6.526000 0.4378000       7.068000      0.3921000     -0.5416000      0.5877000
  1 1 1      18   30    2 o    5.174000      0.3340000       5.030000 0.5085000       5.318000      0.4331000     -0.2879000      0.6680000
  1 1 1      18   30    3 o    5.421000      0.3404000       5.445000 0.4738000       5.397000      0.4889000      0.4800000E-01  0.6808000
  1 1 1      18   30    4 o    3.371000      0.4797000       4.441000 0.5558000       2.300000      0.7821000       2.141000      0.9594000
  1 1 1      18   30    5 o    1.986000      0.5424000       1.994000 0.7690000       1.978000      0.7650000      0.1649000E-01   1.085000
  1 1 1      18   30    6 o    2.114000      0.5696000       2.184000 0.7991000       2.043000      0.8119000      0.1408000       1.139000
  1 1 1      18   30    7 o    2.662000      0.5855000       1.999000 0.8508000       3.324000      0.8045000      -1.324000       1.171000
  1 1 1      18   30    8 o    2.990000      0.7243000       2.627000 0.8987000       3.353000       1.136000     -0.7256000       1.449000
  1 1 1      18   30    9 o    2.551000      0.6876000       2.338000 0.8593000       2.764000       1.074000     -0.4253000       1.375000
  1 1 1      18   30   10 o    2.453000      0.6464000       2.768000 0.8723000       2.138000      0.9542000      0.6304000       1.293000
  1 1 1      18   30   11 o    2.579000      0.6883000       2.351000 0.8665000       2.807000       1.070000     -0.4561000       1.377000
  1 1 1      18   30   12 o    2.176000      0.6508000       1.769000 0.7862000       2.583000       1.037000     -0.8136000       1.302000
  1 1 1      18   30   13 o    2.508000      0.6862000       2.549000 0.9094000       2.466000       1.028000      0.8319000E-01   1.372000
  1 1 1      18   30   14 o    2.461000      0.6871000       2.486000 0.9062000       2.435000       1.033000      0.5083000E-01   1.374000
  1 1 1      18   30   15 f    2.418000      0.7027000       2.301000 0.8960000       2.535000       1.083000     -0.2338000       1.405000
  1 1 1      18   30   16 o    7.088000      0.4952000       7.545000 0.5273000       6.632000      0.8383000      0.9137000      0.9903000
  1 1 1      18   30   17 o    5.614000      0.5972000       4.916000 0.8699000       6.312000      0.8185000      -1.396000       1.194000
  1 1 1      18   30   18 o    1.851000      0.6169000       1.978000 0.9076000       1.724000      0.8357000      0.2546000       1.234000
  1 1 1      18   30   19 o    3.868000      0.7935000       4.157000 1.028000       3.580000       1.209000      0.5776000       1.587000
  1 1 1      18   30   20 o    2.263000      0.7065000       2.223000 0.9603000       2.303000       1.037000     -0.8023000E-01   1.413000
  1 1 1      18   30   21 o    2.550000      0.7488000       2.697000 1.040000       2.403000       1.078000      0.2932000       1.498000
  1 1 1      18   30   22 o    2.395000      0.7421000       2.144000 0.9603000       2.645000       1.132000     -0.5009000       1.484000
  1 1 1      18   31    0 o    7.626000      0.2969000       7.850000 0.4168000       7.402000      0.4229000      0.4477000      0.5938000
  1 1 1      18   31    1 o    4.543000      0.4195000       4.365000 0.6319000       4.721000      0.5520000     -0.3559000      0.8390000
  1 1 1      18   31    2 f    4.364000      0.5339000       3.807000 0.8557000       4.921000      0.6388000      -1.114000       1.068000
  1 1 1      18   31    3 o    3.263000      0.6317000       3.152000 0.9884000       3.373000      0.7870000     -0.2214000       1.263000
  1 1 1      18   31    4 o    3.535000      0.5962000       3.184000 0.9698000       3.886000      0.6937000     -0.7019000       1.192000
  1 1 1      18   31    5 o    2.150000      0.9095000       2.150000 0.9095000                  ?              ?              ?              ?
  1 1 1      18   31    6 f    3.398000      0.6443000       2.541000 0.9929000       4.256000      0.8214000      -1.715000       1.289000
  1 1 1      18   31    7 o    4.079000       1.012000                  ?       ?   4.079000       1.012000                  ?              ?
  1 1 1      18   31    8 o    2.644000      0.5279000       3.212000 0.6083000       2.075000      0.8630000       1.137000       1.056000
  1 1 1      18   31    9 o    4.370000      0.5031000       4.671000 0.5620000       4.068000      0.8346000      0.6024000       1.006000
  1 1 1      18   31   10 o    2.766000      0.6072000       3.463000 0.8206000       2.070000      0.8952000       1.393000       1.214000
  1 1 1      18   31   11 o    2.485000      0.6678000       2.407000 0.8730000       2.563000       1.011000     -0.1557000       1.336000
  1 1 1      18   31   12 o    2.120000      0.6338000       2.161000 0.8733000       2.079000      0.9187000      0.8182000E-01   1.268000
  1 1 1      18   31   13 o    2.241000      0.6615000       2.309000 0.9090000       2.174000      0.9612000      0.1351000       1.323000
  1 1 1      18   31   14 o    2.605000      0.6271000       3.446000 0.9283000       1.764000      0.8435000       1.681000       1.254000
  1 1 1      18   31   15 o    3.306000      0.7386000       2.823000 0.9914000       3.788000       1.095000     -0.9648000       1.477000
  1 1 1      18   31   16 o    3.951000      0.7088000       4.173000 0.8973000       3.728000       1.098000      0.4450000       1.418000
  1 1 1      18   31   17 f    3.140000      0.7526000       2.856000 1.032000       3.424000       1.096000     -0.5687000       1.505000
  1 1 1      18   31   18 o    3.220000      0.7237000       3.905000 0.9817000       2.536000       1.064000       1.368000       1.447000
  1 1 1      18   31   19 o    3.217000      0.7542000       3.672000 1.026000       2.762000       1.106000      0.9102000       1.508000
  1 1 1      18   31   20 o    2.042000      0.6400000       2.407000 0.9854000       1.678000      0.8170000      0.7292000       1.280000
  1 1 1      18   32    0 o    2.421000      0.6000000       2.363000 0.8631000       2.479000      0.8338000     -0.1157000       1.200000
  1 1 1      18   32    1 o    3.316000      0.5752000       3.321000 0.7955000       3.312000      0.8311000      0.8953000E-02   1.150000
  1 1 1      18   32    2 o    2.426000      0.5601000       1.674000 0.7476000       3.178000      0.8342000      -1.504000       1.120000
  1 1 1      18   32    3 o    1.624000      0.5160000       1.674000 0.7465000       1.575000      0.7125000      0.9898000E-01   1.032000
  1 1 1      18   32    4 o    2.449000      0.5472000       1.638000 0.7403000       3.259000      0.8061000      -1.621000       1.094000
  1 1 1      18   32    5 o    6.395000      0.4732000       6.395000 0.4732000                  ?              ?              ?              ?
  1 1 1      18   32    6 o    5.256000      0.4303000       5.541000 0.5326000       4.970000      0.6761000      0.5707000      0.8606000
  1 1 1      18   32    7 o    2.684000      0.9474000                  ?       ?   2.684000      0.9474000                  ?              ?
  1 1 1      18   32    8 o    2.556000      0.6419000       2.066000 0.8287000       3.045000      0.9805000     -0.9782000       1.284000
  1 1 1      18   32    9 o    2.431000      0.6598000       2.492000 0.9026000       2.371000      0.9627000      0.1208000       1.320000
  1 1 1      18   32   10 o    2.252000      0.6619000       1.797000 0.8053000       2.708000       1.051000     -0.9102000       1.324000
  1 1 1      18   32   11 o    1.992000      0.6215000       1.596000 0.7527000       2.388000      0.9891000     -0.7929000       1.243000
  1 1 1      18   32   12 o    2.055000      0.6306000       2.342000 0.9448000       1.768000      0.8353000      0.5741000       1.261000
  1 1 1      18   32   13 o    3.926000      0.6726000       4.710000 0.8133000       3.141000       1.071000       1.570000       1.345000
  1 1 1      18   32   14 o    3.244000      0.6759000       2.606000 1.000000       3.881000      0.9092000      -1.275000       1.352000
  1 1 1      18   32   15 o    2.531000      0.6816000       2.134000 0.8980000       2.928000       1.026000     -0.7943000       1.363000
  1 1 1      18   32   16 o    2.061000      0.6521000       2.100000 0.9225000       2.023000      0.9219000      0.7770000E-01   1.304000
  1 1 1      18   32   17 o    2.646000      0.7616000       3.054000 1.146000       2.239000       1.004000      0.8149000       1.523000
  1 1 1      18   32   18 o    2.421000      0.7071000       1.757000 0.8286000       3.085000       1.146000      -1.328000       1.414000
  1 1 1      18   32   19 o    2.546000      0.6888000       3.130000 1.020000       1.961000      0.9262000       1.169000       1.378000
  1 1 1      18   33    0 o    2.679000      0.5917000       3.455000 0.8362000       1.904000      0.8373000       1.551000       1.183000
  1 1 1      18   33    1 o    2.510000      0.6417000       2.446000 0.8949000       2.574000      0.9199000     -0.1280000       1.283000
  1 1 1      18   33    2 o    3.740000      0.5514000       5.001000 0.6206000       2.479000      0.9116000       2.522000       1.103000
  1 1 1      18   33    3 o    2.205000      0.5913000       1.675000 0.7629000       2.735000      0.9036000      -1.060000       1.183000
  1 1 1      18   33    4 o    1.836000      0.5731000       1.805000 0.7981000       1.866000      0.8227000     -0.6122000E-01   1.146000
  1 1 1      18   33    5 o    5.661000      0.4304000       6.127000 0.5205000       5.195000      0.6855000      0.9323000      0.8607000
  1 1 1      18   33    6 o    2.432000      0.6620000       2.092000 0.8633000       2.773000       1.004000     -0.6808000       1.324000
  1 1 1      18   33    7 o    1.896000      0.5973000       1.584000 0.7419000       2.209000      0.9363000     -0.6251000       1.195000
  1 1 1      18   33    8 o    2.080000      0.6346000       1.875000 0.8380000       2.284000      0.9533000     -0.4091000       1.269000
  1 1 1      18   33    9 o    2.602000      0.7135000       2.341000 0.9268000       2.864000       1.085000     -0.5233000       1.427000
  1 1 1      18   33   10 o    2.919000      0.7280000       3.145000 1.007000       2.694000       1.052000      0.4515000       1.456000
  1 1 1      18   33   11 o    2.376000      0.7087000       2.229000 0.9571000       2.523000       1.045000     -0.2938000       1.417000
  1 1 1      18   33   12 o    2.106000      0.6596000       1.939000 0.8841000       2.273000      0.9790000     -0.3341000       1.319000
  1 1 1      18   33   13 f    3.248000      0.7633000       2.942000 1.020000       3.555000       1.136000     -0.6133000       1.527000
  1 1 1      18   33   14 o    2.833000      0.7786000       2.601000 1.029000       3.066000       1.169000     -0.4649000       1.557000
  1 1 1      18   33   15 o    4.762000      0.6902000       6.298000 0.7022000       3.225000       1.188000       3.072000       1.380000
  1 1 1      18   33   16 o    3.816000      0.7643000       3.518000 1.060000       4.113000       1.101000     -0.5945000       1.529000
  1 1 1      18   33   17 o    1.883000      0.6271000       1.715000 0.8091000       2.051000      0.9583000     -0.3365000       1.254000
  1 1 1      18   34    0 o    3.360000      0.6329000       2.436000 0.9421000       4.283000      0.8454000      -1.847000       1.266000
  1 1 1      18   34    1 o    2.217000      0.6444000       2.090000 0.8919000       2.344000      0.9304000     -0.2537000       1.289000
  1 1 1      18   34    2 o    2.539000      0.6661000       2.179000 0.9122000       2.898000      0.9710000     -0.7195000       1.332000
  1 1 1      18   34    3 o    2.254000      0.6539000       2.440000 0.9587000       2.068000      0.8895000      0.3720000       1.308000
  1 1 1      18   34    4 o    3.425000      0.6934000       3.055000 0.9723000       3.794000      0.9888000     -0.7381000       1.387000
  1 1 1      18   34    5 o    4.222000      0.6025000       4.513000 0.7682000       3.932000      0.9284000      0.5808000       1.205000
  1 1 1      18   34    6 o    3.019000      0.6653000       3.664000 0.9246000       2.374000      0.9570000       1.291000       1.331000
  1 1 1      18   34    7 o    1.852000      0.5992000       1.555000 0.7472000       2.148000      0.9370000     -0.5938000       1.198000
  1 1 1      18   34    8 o    1.978000      0.6352000       1.552000 0.7575000       2.403000       1.020000     -0.8512000       1.270000
  1 1 1      18   34    9 o    2.654000      0.7209000       3.154000 1.069000       2.154000      0.9672000      0.9997000       1.442000
  1 1 1      18   34   10 o    2.665000      0.7063000       1.965000 0.8898000       3.364000       1.097000      -1.399000       1.413000
  1 1 1      18   34   11 o    3.788000      0.7301000       3.407000 1.021000       4.169000       1.044000     -0.7621000       1.460000
  1 1 1      18   34   12 o    2.770000      0.7704000       2.844000 1.088000       2.696000       1.091000      0.1474000       1.541000
  1 1 1      18   34   13 o    3.556000      0.7408000       4.532000 0.9969000       2.581000       1.096000       1.951000       1.482000
  1 1 1      18   34   14 o    4.272000      0.7141000       5.475000 0.8134000       3.069000       1.174000       2.406000       1.428000
  1 1 1      18   34   15 o    3.148000      0.7837000       3.265000 1.049000       3.031000       1.164000      0.2343000       1.567000
  1 1 1      18   35    0 o    2.728000      0.6756000       3.420000 1.008000       2.036000      0.9000000       1.384000       1.351000
  1 1 1      18   35    1 o    2.941000      0.7129000       3.236000 1.012000       2.645000       1.005000      0.5909000       1.426000
  1 1 1      18   35    2 o    2.736000      0.6929000       3.461000 1.050000       2.011000      0.9044000       1.450000       1.386000
  1 1 1      18   35    3 o    2.244000      0.6778000       2.310000 0.9769000       2.178000      0.9400000      0.1318000       1.356000
  1 1 1      18   35    4 o    2.297000      0.6762000       1.980000 0.9005000       2.613000       1.009000     -0.6331000       1.352000
  1 1 1      18   35    5 o    2.124000      0.6556000       1.930000 0.8721000       2.319000      0.9792000     -0.3890000       1.311000
  1 1 1      18   35    6 f    2.108000      0.6219000       1.618000 0.7755000       2.599000      0.9724000     -0.9801000       1.244000
  1 1 1      18   35    7 f    2.358000      0.6899000       2.480000 0.9824000       2.236000      0.9690000      0.2441000       1.380000
  1 1 1      18   35    8 o    1.825000      0.6057000       1.408000 0.7019000       2.241000      0.9872000     -0.8330000       1.211000
  1 1 1      18   35    9 o    2.641000      0.7393000       2.438000 1.002000       2.845000       1.087000     -0.4073000       1.479000
  1 1 1      18   35   10 o    2.860000      0.7571000       2.801000 1.014000       2.918000       1.125000     -0.1173000       1.514000
  1 1 1      18   35   11 o    3.369000      0.7789000       3.715000 1.064000       3.024000       1.138000      0.6914000       1.558000
  1 1 1      18   35   12 o    3.404000      0.8153000       2.997000 1.108000       3.810000       1.197000     -0.8128000       1.631000
  1 1 1      18   35   13 o    4.330000       1.181000                  ?       ?   4.330000       1.181000                  ?              ?
  1 1 1      18   36    0 o    2.361000      0.6797000       2.718000 1.013000       2.005000      0.9067000      0.7125000       1.359000
  1 1 1      18   36    1 o    2.776000      0.7006000       2.370000 0.9687000       3.181000       1.012000     -0.8104000       1.401000
  1 1 1      18   36    2 o    2.171000      0.6611000       2.445000 0.9995000       1.897000      0.8656000      0.5475000       1.322000
  1 1 1      18   36    3 f    2.216000      0.6713000       2.176000 0.9368000       2.255000      0.9619000     -0.7858000E-01   1.343000
  1 1 1      18   36    4 o    2.468000      0.6957000       2.356000 0.9540000       2.579000       1.013000     -0.2232000       1.391000
  1 1 1      18   36    5 o    2.734000      0.7150000       2.822000 0.9846000       2.646000       1.037000      0.1766000       1.430000
  1 1 1      18   36    6 o    2.685000       1.034000       2.685000 1.034000                  ?              ?              ?              ?
  1 1 1      18   36    7 o    2.723000      0.7761000       2.470000 1.039000       2.976000       1.153000     -0.5059000       1.552000
  1 1 1      18   36    8 o    2.415000       1.049000                  ?       ?   2.415000       1.049000                  ?              ?
  1 1 1      18   36    9 o    2.555000      0.7544000       2.313000 1.001000       2.798000       1.129000     -0.4854000       1.509000
  1 1 1      18   36   10 o    5.823000       1.375000                  ?       ?   5.823000       1.375000                  ?              ?
  1 1 1      18   37    0 o    2.454000      0.6749000       3.062000 1.048000       1.846000      0.8510000       1.215000       1.350000
  1 1 1      18   37    1 o    2.901000      0.7343000       3.541000 1.108000       2.260000      0.9642000       1.281000       1.469000
  1 1 1      18   37    2 o    2.404000      0.6992000       2.887000 1.089000       1.921000      0.8770000      0.9657000       1.398000
  1 1 1      18   37    3 o    2.622000      0.7241000       2.746000 1.058000       2.498000      0.9887000      0.2483000       1.448000
  1 1 1      18   37    4 o    3.948000      0.9316000       3.336000 1.124000       4.560000       1.486000      -1.223000       1.863000
  1 1 1      18   37    5 o    3.368000       1.427000                  ?       ?   3.368000       1.427000                  ?              ?
  1 1 1      19  -20    0 o    2.110000      0.6329000       2.057000 0.8873000       2.162000      0.9026000     -0.1051000       1.266000
  1 1 1      19  -20    1 o    2.819000      0.6926000       2.395000 0.9507000       3.243000       1.007000     -0.8485000       1.385000
  1 1 1      19  -20    2 o    2.354000      0.6789000       2.218000 0.9203000       2.490000      0.9984000     -0.2721000       1.358000
  1 1 1      19  -20    3 o    2.837000      0.6514000       1.878000 0.8560000       3.796000      0.9821000      -1.918000       1.303000
  1 1 1      19  -20    4 o    2.306000      0.6680000       2.214000 0.9072000       2.398000      0.9809000     -0.1837000       1.336000
  1 1 1      19  -20    5 o    2.231000      0.6620000       2.047000 0.8957000       2.414000      0.9750000     -0.3673000       1.324000
  1 1 1      19  -20    6 o    3.033000      0.8548000       2.767000 1.199000       3.299000       1.219000     -0.5312000       1.710000
  1 1 1      19  -19    0 f    1.761000      0.5687000       1.405000 0.6848000       2.117000      0.9082000     -0.7119000       1.137000
  1 1 1      19  -19    1 o    3.285000      0.6784000       3.533000 0.8993000       3.037000       1.016000      0.4968000       1.357000
  1 1 1      19  -19    2 o    3.017000      0.7009000       2.748000 0.9465000       3.285000       1.034000     -0.5372000       1.402000
  1 1 1      19  -19    3 o    1.929000      0.6077000       2.149000 0.9013000       1.709000      0.8154000      0.4399000       1.215000
  1 1 1      19  -19    4 o    2.077000      0.6430000       1.988000 0.8714000       2.167000      0.9456000     -0.1788000       1.286000
  1 1 1      19  -19    5 o    5.378000      0.7051000       6.103000 0.7264000       4.654000       1.209000       1.448000       1.410000
  1 1 1      19  -19    6 o    3.756000      0.8236000       3.374000 1.119000       4.138000       1.209000     -0.7637000       1.647000
  1 1 1      19  -19    7 o    3.473000      0.7634000       2.422000 0.9925000       4.525000       1.160000      -2.104000       1.527000
  1 1 1      19  -19    8 o    3.102000      0.7159000       3.105000 1.006000       3.098000       1.019000      0.7654000E-02   1.432000
  1 1 1      19  -19    9 o    2.670000      0.6617000       3.178000 0.9207000       2.162000      0.9507000       1.016000       1.323000
  1 1 1      19  -19   10 o    2.338000      0.7298000       1.712000 0.7877000       2.963000       1.229000      -1.251000       1.460000
  1 1 1      19  -18    0 o    2.096000      0.5828000       2.715000 0.9225000       1.477000      0.7125000       1.238000       1.166000
  1 1 1      19  -18    1 o    1.944000      0.5896000       2.093000 0.8556000       1.795000      0.8115000      0.2975000       1.179000
  1 1 1      19  -18    2 o    2.864000      0.6499000       2.421000 0.9775000       3.308000      0.8567000     -0.8875000       1.300000
  1 1 1      19  -18    3 o    3.265000      0.8174000       2.756000 1.043000       3.774000       1.259000      -1.018000       1.635000
  1 1 1      19  -18    4 o    4.966000      0.6589000       5.036000 0.5778000       4.895000       1.184000      0.1405000       1.318000
  1 1 1      19  -18    5 o    3.179000      0.6750000       2.617000 0.9401000       3.742000      0.9687000      -1.125000       1.350000
  1 1 1      19  -18    6 o    2.494000      0.6659000       1.920000 0.8370000       3.068000       1.036000      -1.148000       1.332000
  1 1 1      19  -18    7 o    4.192000      0.7978000       5.225000 1.079000       3.158000       1.176000       2.067000       1.596000
  1 1 1      19  -18    8 o    2.825000      0.8243000       2.729000 1.153000       2.920000       1.178000     -0.1912000       1.649000
  1 1 1      19  -18    9 o    2.572000      0.7784000       3.115000 1.266000       2.028000      0.9061000       1.088000       1.557000
  1 1 1      19  -18   10 o    3.556000      0.6555000       4.371000 0.8327000       2.741000       1.013000       1.630000       1.311000
  1 1 1      19  -18   11 o    2.450000      0.6827000       2.027000 0.8868000       2.873000       1.038000     -0.8465000       1.365000
  1 1 1      19  -18   12 o    3.043000      0.7247000       3.286000 0.9925000       2.801000       1.056000      0.4854000       1.449000
  1 1 1      19  -18   13 o    2.650000      0.7022000       1.972000 0.8792000       3.328000       1.095000      -1.357000       1.404000
  1 1 1      19  -17    0 o    3.411000      0.8017000       3.653000 1.028000       3.169000       1.231000      0.4841000       1.603000
  1 1 1      19  -17    1 o    5.672000      0.6358000       5.616000 0.7084000       5.727000       1.056000     -0.1115000       1.272000
  1 1 1      19  -17    2 o    2.046000      0.5971000       1.999000 0.8401000       2.093000      0.8486000     -0.9404000E-01   1.194000
  1 1 1      19  -17    3 o    4.340000      0.5059000       4.972000 0.5838000       3.707000      0.8264000       1.265000       1.012000
  1 1 1      19  -17    4 o    2.381000      0.6913000       2.502000 1.011000       2.260000      0.9437000      0.2421000       1.383000
  1 1 1      19  -17    5 o    3.251000      0.7585000       2.812000 1.063000       3.691000       1.082000     -0.8791000       1.517000
  1 1 1      19  -17    6 o    3.325000      0.5924000       2.627000 0.7852000       4.023000      0.8872000      -1.397000       1.185000
  1 1 1      19  -17    7 o    4.159000      0.5846000       4.391000 0.7203000       3.927000      0.9211000      0.4644000       1.169000
  1 1 1      19  -17    8 o    6.130000      0.4074000       6.488000 0.5129000       5.771000      0.6330000      0.7171000      0.8147000
  1 1 1      19  -17    9 o    4.366000      0.5960000       5.273000 0.6313000       3.458000       1.011000       1.814000       1.192000
  1 1 1      19  -17   10 f    2.828000      0.6778000       3.235000 0.9326000       2.421000      0.9839000      0.8140000       1.356000
  1 1 1      19  -17   11 o    3.860000      0.6273000       4.608000 0.7443000       3.112000       1.010000       1.497000       1.255000
  1 1 1      19  -17   12 o    4.293000      0.6108000       4.988000 0.6837000       3.598000       1.012000       1.390000       1.222000
  1 1 1      19  -17   13 o    3.323000      0.7192000       3.146000 0.9987000       3.499000       1.035000     -0.3534000       1.438000
  1 1 1      19  -17   14 f    2.807000      0.7011000       3.140000 0.9758000       2.474000       1.007000      0.6660000       1.402000
  1 1 1      19  -17   15 o    4.057000      0.6610000       4.514000 0.8101000       3.600000       1.045000      0.9138000       1.322000
  1 1 1      19  -16    0 o    6.894000      0.3210000       6.633000 0.4437000       7.156000      0.4640000     -0.5236000      0.6420000
  1 1 1      19  -16    1 o    6.475000      0.3384000       6.725000 0.4673000       6.225000      0.4897000      0.4996000      0.6768000
  1 1 1      19  -16    2 o    2.498000      0.6454000       3.237000 1.009000       1.759000      0.8053000       1.478000       1.291000
  1 1 1      19  -16    3 o    4.167000      0.5861000       4.172000 0.8053000       4.162000      0.8519000      0.9978000E-02   1.172000
  1 1 1      19  -16    4 o    6.322000      0.3389000       6.377000 0.4502000       6.267000      0.5067000      0.1099000      0.6778000
  1 1 1      19  -16    5 o    2.525000      0.5652000       1.747000 0.7633000       3.304000      0.8336000      -1.557000       1.130000
  1 1 1      19  -16    6 f    3.457000      0.5893000       3.434000 0.7591000       3.480000      0.9017000     -0.4573000E-01   1.179000
  1 1 1      19  -16    7 o    2.279000      0.6256000       1.950000 0.8168000       2.609000      0.9478000     -0.6590000       1.251000
  1 1 1      19  -16    8 f    3.441000      0.6039000       3.010000 0.8563000       3.871000      0.8519000     -0.8610000       1.208000
  1 1 1      19  -16    9 o    3.573000      0.6041000       3.293000 0.8326000       3.853000      0.8756000     -0.5602000       1.208000
  1 1 1      19  -16   10 o    3.204000      0.6688000       2.804000 0.9169000       3.603000      0.9740000     -0.7986000       1.338000
  1 1 1      19  -16   11 o    2.550000      0.6676000       2.528000 0.9105000       2.572000      0.9765000     -0.4416000E-01   1.335000
  1 1 1      19  -16   12 o    4.706000      0.5346000       4.444000 0.7544000       4.968000      0.7576000     -0.5240000       1.069000
  1 1 1      19  -16   13 o    2.379000      0.6710000       2.146000 0.8965000       2.612000      0.9986000     -0.4659000       1.342000
  1 1 1      19  -16   14 o    4.524000      0.6129000       4.760000 0.8293000       4.287000      0.9026000      0.4728000       1.226000
  1 1 1      19  -16   15 o    3.165000      0.7141000       2.797000 0.9773000       3.534000       1.042000     -0.7369000       1.428000
  1 1 1      19  -16   16 o    3.350000      0.6792000       4.070000 0.8535000       2.629000       1.057000       1.441000       1.358000
  1 1 1      19  -16   17 o    2.428000      0.6733000       1.905000 0.8548000       2.951000       1.040000      -1.045000       1.347000
  1 1 1      19  -15    0 o    2.299000      0.6231000       2.695000 0.9564000       1.903000      0.7990000      0.7916000       1.246000
  1 1 1      19  -15    1 o    2.483000      0.5744000       2.122000 0.8249000       2.844000      0.7996000     -0.7215000       1.149000
  1 1 1      19  -15    2 o    2.734000      0.5486000       3.317000 0.7371000       2.152000      0.8129000       1.165000       1.097000
  1 1 1      19  -15    3 o    2.433000      0.5669000       1.792000 0.7736000       3.074000      0.8289000      -1.282000       1.134000
  1 1 1      19  -15    4 o    2.911000      0.5857000       2.715000 0.8081000       3.108000      0.8479000     -0.3922000       1.171000
  1 1 1      19  -15    5 o    2.574000      0.5833000       2.207000 0.8126000       2.941000      0.8371000     -0.7339000       1.167000
  1 1 1      19  -15    6 o    4.122000      0.4725000       4.787000 0.5387000       3.457000      0.7765000       1.330000      0.9451000
  1 1 1      19  -15    7 o    6.599000      0.3381000       7.006000 0.4166000       6.192000      0.5325000      0.8135000      0.6761000
  1 1 1      19  -15    8 o    5.944000      0.3910000       6.891000 0.4227000       4.997000      0.6579000       1.894000      0.7820000
  1 1 1      19  -15    9 o    8.658000      0.2879000       9.202000 0.3687000       8.113000      0.4422000       1.090000      0.5758000
  1 1 1      19  -15   10 o    2.714000      0.6412000       2.678000 0.8533000       2.751000      0.9572000     -0.7275000E-01   1.282000
  1 1 1      19  -15   11 o    5.520000      0.4910000       4.641000 0.6341000       6.400000      0.7498000      -1.759000      0.9820000
  1 1 1      19  -15   12 o    9.416000      0.3686000       9.796000 0.3947000       9.035000      0.6225000      0.7610000      0.7371000
  1 1 1      19  -15   13 o    2.393000      0.6424000       2.565000 0.8905000       2.221000      0.9261000      0.3446000       1.285000
  1 1 1      19  -15   14 o    3.507000      0.6590000       3.509000 0.8533000       3.504000       1.005000      0.4479000E-02   1.318000
  1 1 1      19  -15   15 o    2.325000      0.6611000       2.048000 0.8762000       2.602000      0.9903000     -0.5539000       1.322000
  1 1 1      19  -15   16 o    2.228000      0.6513000       2.160000 0.8831000       2.295000      0.9575000     -0.1347000       1.303000
  1 1 1      19  -15   17 o    2.315000      0.6607000       2.291000 0.9005000       2.339000      0.9669000     -0.4809000E-01   1.321000
  1 1 1      19  -15   18 o    2.670000      0.6843000       2.385000 0.9236000       2.955000       1.010000     -0.5697000       1.369000
  1 1 1      19  -15   19 f    4.275000      0.6766000       3.287000 1.018000       5.264000      0.8917000      -1.977000       1.353000
  1 1 1      19  -14    0 f    4.148000      0.4229000       4.369000 0.5482000       3.928000      0.6442000      0.4408000      0.8459000
  1 1 1      19  -14    1 o    2.102000      0.5597000       1.917000 0.7776000       2.288000      0.8051000     -0.3708000       1.119000
  1 1 1      19  -14    2 o    2.634000      0.5024000       3.642000 0.7097000       1.626000      0.7114000       2.016000       1.005000
  1 1 1      19  -14    3 o    2.004000      0.5432000       2.110000 0.7933000       1.899000      0.7424000      0.2106000       1.086000
  1 1 1      19  -14    4 o    6.288000      0.2994000       6.642000 0.3925000       5.934000      0.4523000      0.7080000      0.5989000
  1 1 1      19  -14    5 o    5.797000      0.3213000       5.448000 0.4747000       6.147000      0.4332000     -0.6997000      0.6427000
  1 1 1      19  -14    6 o    9.703000      0.2516000       9.743000 0.3404000       9.663000      0.3706000      0.8011000E-01  0.5033000
  1 1 1      19  -14    7 o    6.320000      0.3083000       5.597000 0.4472000       7.043000      0.4245000      -1.446000      0.6166000
  1 1 1      19  -14    8 o    4.842000      0.4156000       4.506000 0.5602000       5.178000      0.6140000     -0.6713000      0.8311000
  1 1 1      19  -14    9 o    5.491000      0.3824000       5.546000 0.4616000       5.436000      0.6098000      0.1102000      0.7648000
  1 1 1      19  -14   10 o    3.723000      0.5199000       3.492000 0.7103000       3.955000      0.7595000     -0.4626000       1.040000
  1 1 1      19  -14   11 o    6.591000      0.3391000       6.556000 0.4280000       6.627000      0.5260000     -0.7084000E-01  0.6782000
  1 1 1      19  -14   12 f    10.12000      0.2920000       10.57000 0.3691000       9.664000      0.4527000      0.9104000      0.5841000
  1 1 1      19  -14   13 o    5.521000      0.6182000       5.228000 1.074000       5.813000      0.6131000     -0.5854000       1.236000
  1 1 1      19  -14   14 o    2.878000      0.5806000       3.759000 0.7558000       1.997000      0.8817000       1.762000       1.161000
  1 1 1      19  -14   15 o    2.950000      0.6888000       2.668000 0.9125000       3.232000       1.032000     -0.5644000       1.378000
  1 1 1      19  -14   16 o    2.048000      0.6179000       1.916000 0.8281000       2.179000      0.9173000     -0.2633000       1.236000
  1 1 1      19  -14   17 o    2.016000      0.6297000       1.698000 0.7977000       2.334000      0.9745000     -0.6367000       1.259000
  1 1 1      19  -14   18 o    2.336000      0.6362000       1.744000 0.7897000       2.929000      0.9978000      -1.186000       1.272000
  1 1 1      19  -14   19 o    5.555000      0.4627000       6.017000 0.6254000       5.093000      0.6822000      0.9234000      0.9255000
  1 1 1      19  -14   20 o    4.874000      0.6365000       5.803000 0.6930000       3.945000       1.068000       1.858000       1.273000
  1 1 1      19  -13    0 o    9.125000      0.2542000       9.003000 0.3602000       9.246000      0.3589000     -0.2433000      0.5085000
  1 1 1      19  -13    1 o    10.26000      0.2448000       10.48000 0.3364000       10.05000      0.3558000      0.4312000      0.4896000
  1 1 1      19  -13    2 o    6.752000      0.2826000       6.415000 0.4225000       7.088000      0.3754000     -0.6727000      0.5652000
  1 1 1      19  -13    3 o    3.823000      0.4098000       3.815000 0.5900000       3.831000      0.5688000     -0.1587000E-01  0.8195000
  1 1 1      19  -13    4 o    3.808000      0.4137000       3.699000 0.6092000       3.916000      0.5600000     -0.2168000      0.8275000
  1 1 1      19  -13    5 o    12.61000      0.2452000       12.40000 0.3388000       12.83000      0.3546000     -0.4343000      0.4904000
  1 1 1      19  -13    6 o    3.481000      0.4748000       3.289000 0.6707000       3.672000      0.6721000     -0.3833000      0.9495000
  1 1 1      19  -13    7 o    1.889000      0.5304000       1.940000 0.7428000       1.839000      0.7573000      0.1003000       1.061000
  1 1 1      19  -13    8 f    3.883000      0.4445000       4.095000 0.5347000       3.671000      0.7103000      0.4234000      0.8890000
  1 1 1      19  -13    9 o    1.746000      0.5372000       1.615000 0.7036000       1.877000      0.8119000     -0.2617000       1.074000
  1 1 1      19  -13   10 o    1.983000      0.5688000       2.044000 0.7806000       1.922000      0.8277000      0.1217000       1.138000
  1 1 1      19  -13   11 o    5.727000      0.3499000       5.560000 0.4531000       5.894000      0.5332000     -0.3338000      0.6997000
  1 1 1      19  -13   12 o    5.879000      0.4020000       6.541000 0.4149000       5.216000      0.6886000       1.325000      0.8039000
  1 1 1      19  -13   13 o    2.550000      0.6294000       2.123000 0.8132000       2.978000      0.9609000     -0.8553000       1.259000
  1 1 1      19  -13   14 o    3.905000      0.5474000       4.042000 0.6596000       3.769000      0.8737000      0.2728000       1.095000
  1 1 1      19  -13   15 o    1.744000      0.5636000       1.588000 0.7393000       1.900000      0.8507000     -0.3117000       1.127000
  1 1 1      19  -13   16 o    5.510000      0.4861000       5.026000 0.6652000       5.995000      0.7090000     -0.9690000      0.9722000
  1 1 1      19  -13   17 f    6.125000      0.4376000       6.451000 0.5657000       5.800000      0.6678000      0.6502000      0.8752000
  1 1 1      19  -13   18 o    4.415000      0.5206000       4.366000 0.7314000       4.464000      0.7411000     -0.9824000E-01   1.041000
  1 1 1      19  -13   19 o    3.388000      0.8704000       3.959000 1.439000       2.817000      0.9789000       1.142000       1.741000
  1 1 1      19  -13   20 o    2.516000      0.6015000       3.235000 0.8874000       1.797000      0.8121000       1.438000       1.203000
  1 1 1      19  -13   21 f    3.129000      0.7022000       3.274000 0.8643000       2.984000       1.107000      0.2906000       1.404000
  1 1 1      19  -13   22 o    2.624000      0.7225000       2.877000 1.081000       2.371000      0.9590000      0.5059000       1.445000
  1 1 1      19  -12    0 o    7.568000      0.2528000       7.397000 0.3596000       7.740000      0.3556000     -0.3432000      0.5057000
  1 1 1      19  -12    1 o    1.332000      0.4351000       1.263000 0.6032000       1.401000      0.6273000     -0.1379000      0.8703000
  1 1 1      19  -12    2 o    3.061000      0.4841000       2.686000 0.7385000       3.437000      0.6262000     -0.7513000      0.9683000
  1 1 1      19  -12    3 o    5.243000      0.3087000       5.212000 0.4533000       5.273000      0.4191000     -0.6130000E-01  0.6173000
  1 1 1      19  -12    4 o    5.651000      0.2902000       5.763000 0.4093000       5.539000      0.4115000      0.2244000      0.5804000
  1 1 1      19  -12    5 o    11.53000      0.2354000       11.60000 0.3271000       11.46000      0.3385000      0.1343000      0.4708000
  1 1 1      19  -12    6 o    4.753000      0.3264000       4.498000 0.4840000       5.008000      0.4381000     -0.5102000      0.6528000
  1 1 1      19  -12    7 o    1.919000      0.5214000       1.753000 0.7033000       2.085000      0.7701000     -0.3317000       1.043000
  1 1 1      19  -12    8 o    3.930000      0.4142000       4.681000 0.4509000       3.180000      0.6948000       1.501000      0.8283000
  1 1 1      19  -12    9 o    5.871000      0.2878000       5.796000 0.3921000       5.946000      0.4214000     -0.1500000      0.5756000
  1 1 1      19  -12   10 f    5.441000      0.3479000       5.671000 0.4239000       5.212000      0.5518000      0.4594000      0.6958000
  1 1 1      19  -12   11 o    5.715000      0.3611000       6.282000 0.4053000       5.148000      0.5978000       1.134000      0.7222000
  1 1 1      19  -12   12 o    8.180000      0.3711000       8.231000 0.4519000       8.130000      0.5887000      0.1010000      0.7422000
  1 1 1      19  -12   13 f    2.370000      0.6584000       2.293000 0.8611000       2.446000      0.9961000     -0.1532000       1.317000
  1 1 1      19  -12   14 o    3.913000      0.6291000       3.688000 0.7959000       4.137000      0.9746000     -0.4492000       1.258000
  1 1 1      19  -12   15 o    3.685000      0.5517000       3.132000 0.7925000       4.238000      0.7677000      -1.106000       1.103000
  1 1 1      19  -12   16 o    2.003000      0.5958000       1.840000 0.7797000       2.166000      0.9011000     -0.3259000       1.192000
  1 1 1      19  -12   17 o    2.557000      0.7188000       2.625000 0.8495000       2.490000       1.160000      0.1344000       1.438000
  1 1 1      19  -12   18 o    3.195000      0.9220000       3.649000 1.369000       2.742000       1.236000      0.9068000       1.844000
  1 1 1      19  -12   19 o    2.834000      0.8919000       2.965000 1.287000       2.702000       1.235000      0.2630000       1.784000
  1 1 1      19  -12   20 o    1.976000      0.8525000                  ?       ?   1.976000      0.8525000                  ?              ?
  1 1 1      19  -12   21 o    3.061000      0.6083000       3.038000 0.8531000       3.083000      0.8674000     -0.4496000E-01   1.217000
  1 1 1      19  -12   22 f    2.959000      0.5950000       2.963000 0.8457000       2.955000      0.8373000      0.7983000E-02   1.190000
  1 1 1      19  -12   23 o    3.164000      0.8119000       3.164000 0.8119000                  ?              ?              ?              ?
  1 1 1      19  -11    0 o    2.878000      0.5157000       3.453000 0.6804000       2.302000      0.7752000       1.151000       1.031000
  1 1 1      19  -11    1 o    3.794000      0.4053000       3.866000 0.5653000       3.723000      0.5809000      0.1429000      0.8105000
  1 1 1      19  -11    2 o    2.363000      0.5241000       2.702000 0.7587000       2.023000      0.7234000      0.6796000       1.048000
  1 1 1      19  -11    3 o    5.327000      0.2928000       5.280000 0.4160000       5.373000      0.4121000     -0.9325000E-01  0.5856000
  1 1 1      19  -11    4 o    5.455000      0.2897000       5.616000 0.4101000       5.293000      0.4093000      0.3230000      0.5794000
  1 1 1      19  -11    5 o    4.623000      0.3157000       4.755000 0.4291000       4.490000      0.4633000      0.2651000      0.6315000
  1 1 1      19  -11    6 o    8.755000      0.2274000       9.028000 0.3161000       8.483000      0.3270000      0.5440000      0.4548000
  1 1 1      19  -11    7 f    4.206000      0.3432000       3.779000 0.5186000       4.633000      0.4495000     -0.8543000      0.6863000
  1 1 1      19  -11    8 o    1.859000      0.5001000       1.530000 0.6601000       2.188000      0.7516000     -0.6585000       1.000000
  1 1 1      19  -11    9 o    2.459000      0.6512000       1.903000 0.7949000       3.015000       1.032000      -1.111000       1.302000
  1 1 1      19  -11   10 o    3.620000      0.6637000       3.418000 0.8371000       3.822000       1.030000     -0.4044000       1.327000
  1 1 1      19  -11   11 o    8.710000      0.3562000       7.894000 0.4741000       9.526000      0.5317000      -1.632000      0.7124000
  1 1 1      19  -11   12 o    6.029000      0.3058000       6.302000 0.3760000       5.756000      0.4822000      0.5459000      0.6115000
  1 1 1      19  -11   13 o    5.177000      0.3789000       5.753000 0.4154000       4.600000      0.6338000       1.153000      0.7578000
  1 1 1      19  -11   14 o    3.388000      0.8106000       3.721000 1.101000       3.055000       1.190000      0.6660000       1.621000
  1 1 1      19  -11   15 o    3.205000      0.8186000       2.997000 1.098000       3.413000       1.215000     -0.4162000       1.637000
  1 1 1      19  -11   16 o    3.964000      0.8776000       4.917000 1.222000       3.011000       1.260000       1.907000       1.755000
  1 1 1      19  -11   17 o    4.457000      0.4958000       4.481000 0.5954000       4.433000      0.7929000      0.4802000E-01  0.9915000
  1 1 1      19  -11   18 o    6.180000      0.3984000       6.536000 0.5109000       5.824000      0.6115000      0.7120000      0.7968000
  1 1 1      19  -11   19 f    5.103000      0.4390000       5.405000 0.5505000       4.801000      0.6841000      0.6036000      0.8781000
  1 1 1      19  -11   20 o    2.315000      0.6426000       2.062000 0.8583000       2.567000      0.9565000     -0.5054000       1.285000
  1 1 1      19  -11   21 o    4.115000      0.4678000       3.417000 0.7519000       4.814000      0.5567000      -1.396000      0.9355000
  1 1 1      19  -11   22 o    3.256000      0.5425000       3.686000 0.7066000       2.827000      0.8233000      0.8590000       1.085000
  1 1 1      19  -11   23 o    3.735000      0.4637000       4.014000 0.5912000       3.457000      0.7145000      0.5569000      0.9273000
  1 1 1      19  -11   24 o    2.537000      0.5396000       2.072000 0.7994000       3.001000      0.7249000     -0.9284000       1.079000
  1 1 1      19  -10    0 o    3.863000      0.4155000       3.400000 0.6693000       4.327000      0.4926000     -0.9273000      0.8310000
  1 1 1      19  -10    1 o    6.953000      0.2597000       6.987000 0.3674000       6.919000      0.3671000      0.6783000E-01  0.5194000
  1 1 1      19  -10    2 o    3.814000      0.4063000       3.303000 0.6591000       4.325000      0.4752000      -1.022000      0.8126000
  1 1 1      19  -10    3 o    7.034000      0.2455000       6.826000 0.3475000       7.242000      0.3471000     -0.4166000      0.4911000
  1 1 1      19  -10    4 o    2.264000      0.5041000       2.508000 0.7234000       2.020000      0.7023000      0.4878000       1.008000
  1 1 1      19  -10    5 o    7.556000      0.2363000       7.791000 0.3324000       7.320000      0.3359000      0.4708000      0.4726000
  1 1 1      19  -10    6 o    4.012000      0.3397000       4.384000 0.4660000       3.641000      0.4943000      0.7424000      0.6793000
  1 1 1      19  -10    7 o    3.638000      0.6367000       3.023000 0.8390000       4.253000      0.9581000      -1.230000       1.273000
  1 1 1      19  -10    8 o    7.311000      0.3931000       7.194000 0.4810000       7.429000      0.6218000     -0.2349000      0.7862000
  1 1 1      19  -10    9 o    5.611000      0.2717000       5.435000 0.3803000       5.786000      0.3881000     -0.3511000      0.5434000
  1 1 1      19  -10   10 o    8.410000      0.2197000       8.301000 0.2985000       8.519000      0.3225000     -0.2178000      0.4395000
  1 1 1      19  -10   11 o    10.19000      0.2589000       10.00000 0.2950000       10.38000      0.4255000     -0.3781000      0.5178000
  1 1 1      19  -10   12 o    5.309000      0.4343000       5.891000 0.5462000       4.727000      0.6755000       1.164000      0.8687000
  1 1 1      19  -10   13 o    7.521000      0.3556000       7.779000 0.4648000       7.263000      0.5382000      0.5161000      0.7111000
  1 1 1      19  -10   14 o    7.685000      0.2718000       7.879000 0.3406000       7.491000      0.4237000      0.3883000      0.5436000
  1 1 1      19  -10   15 o    3.620000      0.5087000       3.575000 0.6391000       3.665000      0.7916000     -0.9030000E-01   1.017000
  1 1 1      19  -10   16 o    2.391000      0.5946000       1.974000 0.7749000       2.808000      0.9022000     -0.8343000       1.189000
  1 1 1      19  -10   17 o    6.477000      0.3656000       5.789000 0.4626000       7.165000      0.5663000      -1.377000      0.7312000
  1 1 1      19  -10   18 o    6.897000      0.3834000       7.516000 0.4496000       6.277000      0.6211000       1.239000      0.7667000
  1 1 1      19  -10   19 o    4.367000      0.4999000       4.892000 0.5546000       3.842000      0.8320000       1.051000      0.9998000
  1 1 1      19  -10   20 o    2.996000      0.5983000       3.149000 0.7663000       2.843000      0.9190000      0.3059000       1.197000
  1 1 1      19  -10   21 o    2.325000      0.5727000       2.451000 0.7956000       2.200000      0.8241000      0.2508000       1.145000
  1 1 1      19  -10   22 o    5.593000      0.3167000       5.814000 0.4400000       5.371000      0.4556000      0.4429000      0.6334000
  1 1 1      19  -10   23 o    2.134000      0.5356000       2.491000 0.7824000       1.778000      0.7317000      0.7125000       1.071000
  1 1 1      19  -10   24 f    1.287000      0.4314000       1.381000 0.6421000       1.193000      0.5764000      0.1879000      0.8629000
  1 1 1      19  -10   25 o    3.267000      0.4867000       2.726000 0.7815000       3.807000      0.5802000      -1.081000      0.9734000
  1 1 1      19   -9    0 o    5.815000      0.2887000       6.396000 0.3882000       5.234000      0.4273000       1.162000      0.5773000
  1 1 1      19   -9    1 o    11.55000      0.2388000       11.62000 0.3379000       11.47000      0.3375000      0.1472000      0.4776000
  1 1 1      19   -9    2 o    2.203000      0.5153000       2.200000 0.7441000       2.207000      0.7131000     -0.7662000E-02   1.031000
  1 1 1      19   -9    3 o    5.065000      0.2982000       4.954000 0.4493000       5.177000      0.3923000     -0.2236000      0.5965000
  1 1 1      19   -9    4 o    6.145000      0.2536000       6.416000 0.3540000       5.874000      0.3633000      0.5418000      0.5072000
  1 1 1      19   -9    5 o    1.878000      0.5802000       1.457000 0.6720000       2.299000      0.9459000     -0.8428000       1.160000
  1 1 1      19   -9    6 o    9.234000      0.3664000       10.01000 0.4594000       8.454000      0.5710000       1.561000      0.7328000
  1 1 1      19   -9    7 o    3.968000      0.3330000       4.456000 0.4325000       3.479000      0.5065000      0.9776000      0.6661000
  1 1 1      19   -9    8 o    14.49000      0.2408000       14.59000 0.3379000       14.39000      0.3432000      0.1971000      0.4816000
  1 1 1      19   -9    9 o    3.389000      0.4574000       3.144000 0.7025000       3.634000      0.5859000     -0.4894000      0.9147000
  1 1 1      19   -9   10 o    8.194000      0.2798000       8.548000 0.4088000       7.841000      0.3820000      0.7077000      0.5595000
  1 1 1      19   -9   11 o    2.567000      0.4470000       1.978000 0.6745000       3.157000      0.5866000      -1.180000      0.8939000
  1 1 1      19   -9   12 o    4.309000      0.3438000       4.642000 0.3984000       3.976000      0.5604000      0.6656000      0.6876000
  1 1 1      19   -9   13 o    9.113000      0.2304000       9.127000 0.3016000       9.098000      0.3484000      0.2837000E-01  0.4608000
  1 1 1      19   -9   14 o    8.526000      0.3029000       7.995000 0.3176000       9.057000      0.5158000      -1.062000      0.6057000
  1 1 1      19   -9   15 o    9.215000      0.3058000       9.326000 0.3318000       9.103000      0.5138000      0.2230000      0.6116000
  1 1 1      19   -9   16 o    2.160000      0.5781000       2.113000 0.7694000       2.206000      0.8631000     -0.9320000E-01   1.156000
  1 1 1      19   -9   17 o    2.406000      0.5789000       2.663000 0.7759000       2.150000      0.8592000      0.5126000       1.158000
  1 1 1      19   -9   18 o    6.818000      0.3400000       6.598000 0.4007000       7.038000      0.5494000     -0.4395000      0.6800000
  1 1 1      19   -9   19 o    2.558000      0.5940000       2.246000 0.7935000       2.869000      0.8843000     -0.6232000       1.188000
  1 1 1      19   -9   20 o    4.398000      0.4502000       4.928000 0.4911000       3.868000      0.7548000       1.060000      0.9005000
  1 1 1      19   -9   21 o    3.311000      0.4833000       4.252000 0.5296000       2.371000      0.8085000       1.882000      0.9665000
  1 1 1      19   -9   22 o    1.827000      0.5267000       1.791000 0.7320000       1.864000      0.7575000     -0.7281000E-01   1.053000
  1 1 1      19   -9   23 o    4.291000      0.3492000       4.546000 0.4689000       4.035000      0.5176000      0.5112000      0.6984000
  1 1 1      19   -9   24 o    3.352000      0.5886000       3.352000 0.5886000                  ?              ?              ?              ?
  1 1 1      19   -9   25 o    3.784000      0.3756000       4.003000 0.5176000       3.565000      0.5445000      0.4375000      0.7513000
  1 1 1      19   -9   26 f    1.681000      0.5272000       1.836000 0.8185000       1.527000      0.6647000      0.3082000       1.054000
  1 1 1      19   -8    0 o    15.77000      0.2670000       15.86000 0.3753000       15.67000      0.3800000      0.1906000      0.5341000
  1 1 1      19   -8    1 o    16.44000      0.2696000       16.66000 0.3817000       16.22000      0.3807000      0.4377000      0.5391000
  1 1 1      19   -8    2 o    5.507000      0.2847000       5.871000 0.3963000       5.144000      0.4088000      0.7267000      0.5693000
  1 1 1      19   -8    3 o    2.087000      0.6215000       1.689000 0.7664000       2.485000      0.9787000     -0.7967000       1.243000
  1 1 1      19   -8    4 o    2.576000      0.6572000       2.241000 0.8288000       2.910000       1.020000     -0.6692000       1.314000
  1 1 1      19   -8    5 o    8.090000      0.2218000       8.185000 0.3125000       7.996000      0.3148000      0.1886000      0.4435000
  1 1 1      19   -8    6 o    7.976000      0.2170000       7.917000 0.3105000       8.036000      0.3031000     -0.1193000      0.4339000
  1 1 1      19   -8    7 o    3.445000      0.4629000       2.966000 0.7895000       3.925000      0.4833000     -0.9593000      0.9257000
  1 1 1      19   -8    8 o    7.479000      0.2698000       7.764000 0.3999000       7.194000      0.3622000      0.5704000      0.5395000
  1 1 1      19   -8    9 o    3.593000      0.3219000       3.641000 0.4581000       3.545000      0.4523000      0.9560000E-01  0.6437000
  1 1 1      19   -8   10 o    6.441000      0.2215000       6.565000 0.3078000       6.317000      0.3187000      0.2476000      0.4431000
  1 1 1      19   -8   11 o    7.823000      0.2101000       7.666000 0.2879000       7.981000      0.3060000     -0.3149000      0.4201000
  1 1 1      19   -8   12 o    8.262000      0.2066000       8.394000 0.2783000       8.131000      0.3054000      0.2630000      0.4132000
  1 1 1      19   -8   13 f    16.51000      0.2567000       16.70000 0.3573000       16.32000      0.3687000      0.3719000      0.5134000
  1 1 1      19   -8   14 o    9.167000      0.2206000       9.548000 0.2934000       8.785000      0.3295000      0.7636000      0.4412000
  1 1 1      19   -8   15 o    6.524000      0.2795000       6.178000 0.3537000       6.869000      0.4329000     -0.6909000      0.5591000
  1 1 1      19   -8   16 o    4.494000      0.3679000       4.129000 0.4907000       4.860000      0.5483000     -0.7315000      0.7358000
  1 1 1      19   -8   17 f    4.538000      0.4752000       5.601000 0.4236000       3.475000      0.8507000       2.126000      0.9504000
  1 1 1      19   -8   18 o    2.670000      0.5716000       2.711000 0.7256000       2.628000      0.8834000      0.8262000E-01   1.143000
  1 1 1      19   -8   19 o    4.885000      0.4042000       5.566000 0.4279000       4.204000      0.6858000       1.362000      0.8084000
  1 1 1      19   -8   20 f    5.541000      0.3550000       6.118000 0.3964000       4.965000      0.5891000       1.153000      0.7100000
  1 1 1      19   -8   21 o    7.804000      0.2977000       7.271000 0.3533000       8.337000      0.4794000      -1.065000      0.5955000
  1 1 1      19   -8   22 o    3.648000      0.4162000       3.757000 0.5260000       3.539000      0.6452000      0.2173000      0.8325000
  1 1 1      19   -8   23 o    5.487000      0.2673000       5.327000 0.3806000       5.647000      0.3754000     -0.3202000      0.5346000
  1 1 1      19   -8   24 o    2.438000      0.6577000       2.438000 0.6577000                  ?              ?              ?              ?
  1 1 1      19   -8   25 o    2.609000      0.4551000       2.038000 0.7103000       3.181000      0.5693000      -1.142000      0.9103000
  1 1 1      19   -8   26 o    5.026000      0.3868000                  ?       ?   5.026000      0.3868000                  ?              ?
  1 1 1      19   -8   27 o    4.303000      0.3453000       4.120000 0.5485000       4.486000      0.4196000     -0.3665000      0.6906000
  1 1 1      19   -7    0 o    14.93000      0.2580000       15.30000 0.3675000       14.56000      0.3621000      0.7434000      0.5160000
  1 1 1      19   -7    1 o    4.354000      0.5918000       3.740000 0.8016000       4.968000      0.8707000      -1.228000       1.184000
  1 1 1      19   -7    2 o    8.001000      0.3757000       7.854000 0.4683000       8.149000      0.5876000     -0.2952000      0.7514000
  1 1 1      19   -7    3 o    5.131000      0.2884000       4.847000 0.4389000       5.414000      0.3743000     -0.5669000      0.5769000
  1 1 1      19   -7    4 o    5.349000      0.2608000       5.407000 0.3761000       5.291000      0.3614000      0.1159000      0.5216000
  1 1 1      19   -7    5 o    14.26000      0.3250000       14.40000 0.4723000       14.12000      0.4467000      0.2762000      0.6501000
  1 1 1      19   -7    6 o    6.880000      0.2843000       7.054000 0.4258000       6.707000      0.3770000      0.3474000      0.5687000
  1 1 1      19   -7    7 o    9.100000      0.2095000       9.258000 0.2945000       8.941000      0.2979000      0.3178000      0.4189000
  1 1 1      19   -7    8 o    8.436000      0.2052000       8.381000 0.2919000       8.491000      0.2885000     -0.1096000      0.4104000
  1 1 1      19   -7    9 o    5.585000      0.2393000       5.980000 0.3189000       5.190000      0.3568000      0.7905000      0.4785000
  1 1 1      19   -7   10 o    6.254000      0.2105000       6.167000 0.2982000       6.341000      0.2971000     -0.1743000      0.4209000
  1 1 1      19   -7   11 o    9.925000      0.1981000       10.14000 0.2755000       9.708000      0.2848000      0.4346000      0.3963000
  1 1 1      19   -7   12 o    6.693000      0.2107000       6.908000 0.2766000       6.478000      0.3178000      0.4301000      0.4214000
  1 1 1      19   -7   13 o    7.210000      0.2056000       7.293000 0.2736000       7.127000      0.3070000      0.1664000      0.4112000
  1 1 1      19   -7   14 o    8.895000      0.2128000       9.058000 0.2838000       8.731000      0.3171000      0.3267000      0.4255000
  1 1 1      19   -7   15 o    11.36000      0.2173000       11.77000 0.2927000       10.94000      0.3213000      0.8254000      0.4346000
  1 1 1      19   -7   16 o    9.420000      0.2511000       9.618000 0.3089000       9.221000      0.3960000      0.3974000      0.5022000
  1 1 1      19   -7   17 o    5.288000      0.3536000       5.871000 0.3806000       4.705000      0.5960000       1.167000      0.7072000
  1 1 1      19   -7   18 o    1.939000      0.5529000       1.759000 0.7101000       2.120000      0.8477000     -0.3610000       1.106000
  1 1 1      19   -7   19 o    4.698000      0.4301000       4.400000 0.5311000       4.996000      0.6767000     -0.5966000      0.8602000
  1 1 1      19   -7   20 o    6.559000      0.3191000       6.362000 0.3793000       6.757000      0.5132000     -0.3953000      0.6382000
  1 1 1      19   -7   21 f    9.421000      0.2894000       9.604000 0.3840000       9.238000      0.4331000      0.3662000      0.5789000
  1 1 1      19   -7   22 o    5.497000      0.2739000       5.860000 0.3534000       5.134000      0.4186000      0.7259000      0.5478000
  1 1 1      19   -7   23 o    4.885000      0.2711000       4.825000 0.3739000       4.945000      0.3926000     -0.1202000      0.5421000
  1 1 1      19   -7   24 o    1.821000      0.4519000       2.188000 0.6575000       1.455000      0.6203000      0.7338000      0.9039000
  1 1 1      19   -7   25 o    6.066000      0.2168000       6.091000 0.3111000       6.041000      0.3020000      0.5007000E-01  0.4336000
  1 1 1      19   -7   26 o    5.888000      0.3294000       5.657000 0.4465000       6.120000      0.4842000     -0.4632000      0.6587000
  1 1 1      19   -7   27 o    2.757000      0.6016000       2.336000 0.8801000       3.179000      0.8206000     -0.8439000       1.203000
  1 1 1      19   -6    0 o    8.940000      0.3589000       8.524000 0.4718000       9.356000      0.5410000     -0.8317000      0.7179000
  1 1 1      19   -6    1 o    10.73000      0.3120000       10.76000 0.3197000       10.71000      0.5360000      0.5198000E-01  0.6241000
  1 1 1      19   -6    2 o    7.436000      0.2396000       7.317000 0.3466000       7.556000      0.3310000     -0.2390000      0.4793000
  1 1 1      19   -6    3 o    16.39000      0.3631000       16.60000 0.5287000       16.18000      0.4979000      0.4231000      0.7263000
  1 1 1      19   -6    4 o    7.072000      0.2941000       6.861000 0.4493000       7.282000      0.3797000     -0.4205000      0.5882000
  1 1 1      19   -6    5 o    8.317000      0.2157000       8.265000 0.3106000       8.369000      0.2993000     -0.1037000      0.4314000
  1 1 1      19   -6    6 o    11.83000      0.2197000       11.85000 0.3097000       11.81000      0.3119000      0.3713000E-01  0.4395000
  1 1 1      19   -6    7 o    4.511000      0.2717000       4.847000 0.3865000       4.174000      0.3820000      0.6738000      0.5435000
  1 1 1      19   -6    8 o    3.038000      0.3794000       3.260000 0.5206000       2.817000      0.5519000      0.4425000      0.7587000
  1 1 1      19   -6    9 o    2.612000      0.4022000       2.201000 0.6454000       3.024000      0.4803000     -0.8230000      0.8045000
  1 1 1      19   -6   10 o    6.347000      0.2230000       6.458000 0.2874000       6.236000      0.3410000      0.2219000      0.4459000
  1 1 1      19   -6   11 o    4.784000      0.2383000       5.311000 0.3178000       4.256000      0.3553000       1.056000      0.4767000
  1 1 1      19   -6   12 o    5.882000      0.2095000       5.891000 0.2865000       5.874000      0.3058000      0.1652000E-01  0.4190000
  1 1 1      19   -6   13 o    14.05000      0.2262000       14.36000 0.3156000       13.74000      0.3241000      0.6193000      0.4524000
  1 1 1      19   -6   14 o    20.88000      0.2998000       21.25000 0.4260000       20.52000      0.4219000      0.7311000      0.5996000
  1 1 1      19   -6   15 o    13.57000      0.2252000       13.64000 0.3075000       13.51000      0.3291000      0.1264000      0.4504000
  1 1 1      19   -6   16 o    4.323000      0.3528000       4.172000 0.4120000       4.475000      0.5728000     -0.3026000      0.7056000
  1 1 1      19   -6   17 o    2.017000      0.5413000       1.768000 0.6843000       2.265000      0.8390000     -0.4975000       1.083000
  1 1 1      19   -6   18 o    9.192000      0.2829000       8.707000 0.3359000       9.676000      0.4553000     -0.9685000      0.5658000
  1 1 1      19   -6   19 o    6.811000      0.3124000       6.445000 0.3795000       7.178000      0.4964000     -0.7330000      0.6249000
  1 1 1      19   -6   20 o    2.123000      0.4315000       3.071000 0.6421000       1.176000      0.5767000       1.895000      0.8631000
  1 1 1      19   -6   21 o    9.747000      0.2869000       10.22000 0.3793000       9.273000      0.4305000      0.9476000      0.5738000
  1 1 1      19   -6   22 o    7.164000      0.2892000       7.401000 0.3705000       6.926000      0.4441000      0.4746000      0.5784000
  1 1 1      19   -6   23 o    3.544000      0.4786000       3.760000 0.5535000       3.327000      0.7809000      0.4323000      0.9572000
  1 1 1      19   -6   24 o    2.919000      0.5234000       3.465000 0.6184000       2.374000      0.8446000       1.091000       1.047000
  1 1 1      19   -6   25 o    6.171000      0.1946000       6.087000 0.2741000       6.255000      0.2764000     -0.1682000      0.3892000
  1 1 1      19   -6   26 f    3.544000      0.3137000       3.647000 0.4508000       3.440000      0.4364000      0.2062000      0.6275000
  1 1 1      19   -6   27 o    1.525000      0.4479000       1.583000 0.6516000       1.468000      0.6148000      0.1151000      0.8959000
  1 1 1      19   -6   28 o    1.688000      0.4609000       1.549000 0.6519000       1.827000      0.6517000     -0.2777000      0.9218000
  1 1 1      19   -5    0 o    2.263000      0.5019000       2.315000 0.7442000       2.210000      0.6738000      0.1056000       1.004000
  1 1 1      19   -5    1 o    7.261000      0.2267000       7.649000 0.3328000       6.873000      0.3080000      0.7765000      0.4534000
  1 1 1      19   -5    2 o    7.425000      0.3085000       7.473000 0.4650000       7.377000      0.4056000      0.9551000E-01  0.6170000
  1 1 1      19   -5    3 o    10.94000      0.2958000       11.29000 0.4394000       10.59000      0.3960000      0.6974000      0.5915000
  1 1 1      19   -5    4 o    5.238000      0.2688000       5.183000 0.3930000       5.293000      0.3667000     -0.1106000      0.5375000
  1 1 1      19   -5    5 o    6.949000      0.2270000       6.810000 0.3295000       7.089000      0.3123000     -0.2790000      0.4540000
  1 1 1      19   -5    6 o    11.06000      0.2157000       11.14000 0.3031000       10.99000      0.3070000      0.1518000      0.4314000
  1 1 1      19   -5    7 o    5.915000      0.2294000       6.022000 0.3309000       5.809000      0.3177000      0.2127000      0.4588000
  1 1 1      19   -5    8 o    8.314000      0.2037000       8.146000 0.2862000       8.482000      0.2900000     -0.3358000      0.4075000
  1 1 1      19   -5    9 o    13.09000      0.2212000       13.41000 0.3116000       12.77000      0.3141000      0.6333000      0.4424000
  1 1 1      19   -5   10 o    10.07000      0.1959000       10.10000 0.2734000       10.04000      0.2807000      0.5217000E-01  0.3918000
  1 1 1      19   -5   11 o    7.911000      0.1942000       8.152000 0.2726000       7.671000      0.2767000      0.4806000      0.3884000
  1 1 1      19   -5   12 o    6.080000      0.1990000       6.031000 0.2798000       6.129000      0.2832000     -0.9812000E-01  0.3981000
  1 1 1      19   -5   13 o    3.760000      0.2697000       4.052000 0.3561000       3.467000      0.4052000      0.5849000      0.5394000
  1 1 1      19   -5   14 o    7.536000      0.1899000       7.521000 0.2589000       7.550000      0.2778000     -0.2871000E-01  0.3797000
  1 1 1      19   -5   15 o    7.500000      0.1986000       7.010000 0.2686000       7.990000      0.2928000     -0.9806000      0.3973000
  1 1 1      19   -5   16 o    1.849000      0.4583000       2.126000 0.6186000       1.571000      0.6763000      0.5551000      0.9165000
  1 1 1      19   -5   17 o    4.439000      0.3727000       4.445000 0.4362000       4.432000      0.6045000      0.1352000E-01  0.7454000
  1 1 1      19   -5   18 o    11.77000      0.2811000       11.61000 0.3309000       11.94000      0.4545000     -0.3277000      0.5622000
  1 1 1      19   -5   19 o    2.333000      0.5726000       2.030000 0.7395000       2.636000      0.8745000     -0.6063000       1.145000
  1 1 1      19   -5   20 o    3.285000      0.4762000       2.604000 0.6922000       3.966000      0.6542000      -1.362000      0.9525000
  1 1 1      19   -5   21 o    5.641000      0.3292000       5.972000 0.3925000       5.309000      0.5285000      0.6626000      0.6583000
  1 1 1      19   -5   22 o    3.118000      0.3996000       3.339000 0.4830000       2.897000      0.6367000      0.4413000      0.7991000
  1 1 1      19   -5   23 o    4.726000      0.2260000       4.368000 0.3267000       5.085000      0.3125000     -0.7178000      0.4521000
  1 1 1      19   -5   24 o    4.105000      0.2956000       4.208000 0.4195000       4.002000      0.4165000      0.2056000      0.5911000
  1 1 1      19   -5   25 o    5.791000      0.3885000       5.791000 0.3885000                  ?              ?              ?              ?
  1 1 1      19   -5   26 o    4.842000      0.3195000       4.890000 0.4923000       4.794000      0.4072000      0.9536000E-01  0.6389000
  1 1 1      19   -5   27 o    1.876000      0.5261000       1.720000 0.7033000       2.033000      0.7828000     -0.3130000       1.052000
  1 1 1      19   -5   28 o    3.175000      0.3372000       3.251000 0.4839000       3.100000      0.4699000      0.1508000      0.6744000
  1 1 1      19   -5   29 o    1.470000      0.4314000       1.627000 0.6440000       1.312000      0.5743000      0.3149000      0.8629000
  1 1 1      19   -4    0 o    8.337000      0.2289000       8.874000 0.3449000       7.800000      0.3012000       1.074000      0.4579000
  1 1 1      19   -4    1 o    3.431000      0.5231000       3.465000 0.8241000       3.398000      0.6445000      0.6688000E-01   1.046000
  1 1 1      19   -4    2 o    1.407000      0.4242000       1.765000 0.6885000       1.049000      0.4958000      0.7158000      0.8484000
  1 1 1      19   -4    3 o    6.957000      0.2232000       6.840000 0.3412000       7.074000      0.2878000     -0.2338000      0.4464000
  1 1 1      19   -4    4 o    12.91000      0.2251000       12.80000 0.3260000       13.02000      0.3106000     -0.2221000      0.4503000
  1 1 1      19   -4    5 o    15.41000      0.2945000       15.33000 0.3507000       15.48000      0.4733000     -0.1503000      0.5890000
  1 1 1      19   -4    6 o    9.136000      0.2093000       8.930000 0.2979000       9.343000      0.2942000     -0.4127000      0.4187000
  1 1 1      19   -4    7 f    2.347000      0.4415000       1.994000 0.6694000       2.701000      0.5759000     -0.7069000      0.8830000
  1 1 1      19   -4    8 o    1.649000      0.4347000       1.999000 0.6598000       1.300000      0.5662000      0.6990000      0.8694000
  1 1 1      19   -4    9 o    14.14000      0.2285000       14.12000 0.3215000       14.17000      0.3248000     -0.5274000E-01  0.4570000
  1 1 1      19   -4   10 o    15.04000      0.2358000       15.30000 0.3350000       14.77000      0.3318000      0.5334000      0.4715000
  1 1 1      19   -4   11 o    11.14000      0.2006000       11.32000 0.2810000       10.97000      0.2863000      0.3501000      0.4011000
  1 1 1      19   -4   12 o    12.06000      0.2041000       12.25000 0.2881000       11.88000      0.2893000      0.3632000      0.4083000
  1 1 1      19   -4   13 o    4.902000      0.2136000       4.658000 0.3140000       5.146000      0.2898000     -0.4884000      0.4273000
  1 1 1      19   -4   14 o    1.351000      0.3921000       1.474000 0.5720000       1.228000      0.5363000      0.2455000      0.7841000
  1 1 1      19   -4   15 o    5.851000      0.1972000       5.739000 0.2623000       5.963000      0.2945000     -0.2232000      0.3944000
  1 1 1      19   -4   16 o    3.976000      0.4801000       3.223000 0.6764000       4.729000      0.6814000      -1.506000      0.9601000
  1 1 1      19   -4   17 o    4.289000      0.4703000       5.108000 0.4747000       3.470000      0.8120000       1.638000      0.9405000
  1 1 1      19   -4   18 o    6.375000      0.3256000       6.516000 0.4021000       6.234000      0.5122000      0.2824000      0.6512000
  1 1 1      19   -4   19 o    10.74000      0.2856000       10.71000 0.3796000       10.78000      0.4267000     -0.7269000E-01  0.5711000
  1 1 1      19   -4   20 o    5.018000      0.3641000       4.625000 0.5017000       5.411000      0.5278000     -0.7865000      0.7282000
  1 1 1      19   -4   21 o    2.839000      0.6809000       2.339000 0.9654000       3.338000      0.9604000     -0.9984000       1.362000
  1 1 1      19   -4   22 o    4.816000      0.3234000       5.332000 0.4157000       4.301000      0.4955000       1.031000      0.6468000
  1 1 1      19   -4   23 o    7.422000      0.1679000       7.404000 0.2314000       7.439000      0.2433000     -0.3491000E-01  0.3358000
  1 1 1      19   -4   24 o    4.172000      0.2074000       4.215000 0.2939000       4.128000      0.2926000      0.8789000E-01  0.4147000
  1 1 1      19   -4   25 o    2.729000      0.2701000       3.185000 0.4113000       2.274000      0.3503000      0.9111000      0.5402000
  1 1 1      19   -4   26 o    2.025000      0.3893000       1.585000 0.5921000       2.465000      0.5055000     -0.8807000      0.7785000
  1 1 1      19   -4   27 o    4.467000      0.3066000                  ?       ?   4.467000      0.3066000                  ?              ?
  1 1 1      19   -4   28 o    4.273000      0.2369000       4.377000 0.3389000       4.169000      0.3312000      0.2077000      0.4739000
  1 1 1      19   -4   29 o    2.144000      0.3912000       1.614000 0.6043000       2.673000      0.4969000      -1.059000      0.7824000
  1 1 1      19   -3    0 o    9.038000      0.3230000       9.406000 0.4849000       8.670000      0.4268000      0.7362000      0.6460000
  1 1 1      19   -3    1 o    6.012000      0.2514000       5.759000 0.3848000       6.265000      0.3237000     -0.5062000      0.5028000
  1 1 1      19   -3    2 o    1.444000      0.4367000       1.609000 0.6615000       1.279000      0.5705000      0.3296000      0.8735000
  1 1 1      19   -3    3 o    11.75000      0.2175000       11.93000 0.3198000       11.56000      0.2949000      0.3703000      0.4350000
  1 1 1      19   -3    4 o    11.36000      0.2142000       11.10000 0.3123000       11.62000      0.2934000     -0.5144000      0.4285000
  1 1 1      19   -3    5 o    15.71000      0.2475000       15.84000 0.3585000       15.58000      0.3412000      0.2637000      0.4949000
  1 1 1      19   -3    6 o    4.406000      0.2556000       4.906000 0.3710000       3.906000      0.3517000      0.9994000      0.5112000
  1 1 1      19   -3    7 o    13.34000      0.2215000       12.93000 0.3147000       13.74000      0.3119000     -0.8148000      0.4431000
  1 1 1      19   -3    8 o    10.52000      0.1988000       10.70000 0.2926000       10.34000      0.2693000      0.3598000      0.3977000
  1 1 1      19   -3    9 o    1.218000      0.3780000       1.420000 0.5968000       1.016000      0.4640000      0.4040000      0.7560000
  1 1 1      19   -3   10 o    3.974000      0.2939000       3.860000 0.3969000       4.087000      0.4335000     -0.2266000      0.5877000
  1 1 1      19   -3   11 o    13.76000      0.2222000       13.74000 0.3113000       13.79000      0.3171000     -0.5001000E-01  0.4444000
  1 1 1      19   -3   12 o    6.507000      0.1914000       6.519000 0.2685000       6.495000      0.2728000      0.2394000E-01  0.3828000
  1 1 1      19   -3   13 o    8.277000      0.1818000       8.373000 0.2570000       8.180000      0.2571000      0.1932000      0.3635000
  1 1 1      19   -3   14 o    10.89000      0.3034000       10.38000 0.3951000       11.39000      0.4605000      -1.012000      0.6068000
  1 1 1      19   -3   15 o    5.503000      0.4056000       6.134000 0.4233000       4.872000      0.6919000       1.263000      0.8111000
  1 1 1      19   -3   16 o    3.835000      0.2369000       3.727000 0.3150000       3.944000      0.3539000     -0.2170000      0.4738000
  1 1 1      19   -3   17 o    6.508000      0.2087000       6.673000 0.2698000       6.343000      0.3185000      0.3308000      0.4174000
  1 1 1      19   -3   18 o    3.618000      0.6136000       3.957000 0.4302000       3.279000       1.149000      0.6779000       1.227000
  1 1 1      19   -3   20 o    6.461000      0.3076000       6.125000 0.3711000       6.797000      0.4906000     -0.6723000      0.6152000
  1 1 1      19   -3   21 o    6.318000      0.3171000       6.707000 0.3903000       5.929000      0.5000000      0.7778000      0.6342000
  1 1 1      19   -3   22 o    6.461000      0.2531000       6.070000 0.2475000       6.852000      0.4416000     -0.7826000      0.5063000
  1 1 1      19   -3   23 o    3.689000      0.2093000       3.966000 0.2660000       3.411000      0.3231000      0.5543000      0.4186000
  1 1 1      19   -3   24 o    8.312000      0.1616000       8.132000 0.2229000       8.491000      0.2340000     -0.3591000      0.3232000
  1 1 1      19   -3   25 o    2.444000      0.3267000       2.456000 0.4738000       2.432000      0.4498000      0.2361000E-01  0.6533000
  1 1 1      19   -3   26 o    2.614000      0.3168000       2.562000 0.4868000       2.667000      0.4055000     -0.1055000      0.6335000
  1 1 1      19   -3   27 o    4.061000      0.3064000       4.107000 0.3331000       4.016000      0.5145000      0.9148000E-01  0.6129000
  1 1 1      19   -3   28 o    6.741000      0.2198000       6.819000 0.2489000       6.662000      0.3624000      0.1562000      0.4397000
  1 1 1      19   -3   29 o    1.886000      0.3752000       1.418000 0.5609000       2.355000      0.4986000     -0.9367000      0.7504000
  1 1 1      19   -3   30 o    2.915000      0.2899000       2.998000 0.3917000       2.831000      0.4274000      0.1674000      0.5797000
  1 1 1      19   -2    0 o    4.174000      0.3268000       3.999000 0.5336000       4.349000      0.3774000     -0.3503000      0.6536000
  1 1 1      19   -2    1 o    12.47000      0.2275000       12.93000 0.3388000       12.01000      0.3037000      0.9214000      0.4550000
  1 1 1      19   -2    2 o    5.870000      0.2329000       6.466000 0.3453000       5.273000      0.3125000       1.193000      0.4657000
  1 1 1      19   -2    3 o    8.550000      0.2083000       8.525000 0.3102000       8.575000      0.2780000     -0.5027000E-01  0.4165000
  1 1 1      19   -2    4 o    8.829000      0.2024000       9.005000 0.3039000       8.653000      0.2676000      0.3516000      0.4049000
  1 1 1      19   -2    5 o    9.284000      0.2013000       9.223000 0.2991000       9.345000      0.2695000     -0.1212000      0.4027000
  1 1 1      19   -2    6 f    13.18000      0.2211000       13.40000 0.3234000       12.97000      0.3015000      0.4314000      0.4421000
  1 1 1      19   -2    7 f    11.72000      0.2086000       12.10000 0.3076000       11.33000      0.2819000      0.7726000      0.4172000
  1 1 1      19   -2    8 o    7.761000      0.2368000       8.100000 0.2833000       7.423000      0.3795000      0.6762000      0.4735000
  1 1 1      19   -2    9 o    1.893000      0.4109000       1.666000 0.6304000       2.121000      0.5271000     -0.4545000      0.8218000
  1 1 1      19   -2   10 o    14.16000      0.2236000       13.72000 0.3165000       14.60000      0.3159000     -0.8775000      0.4472000
  1 1 1      19   -2   11 o    13.33000      0.2116000       13.51000 0.3071000       13.14000      0.2913000      0.3670000      0.4233000
  1 1 1      19   -2   12 o    6.150000      0.1841000       6.046000 0.2795000       6.254000      0.2397000     -0.2084000      0.3682000
  1 1 1      19   -2   13 o    20.69000      0.4176000       20.85000 0.5984000       20.52000      0.5825000      0.3355000      0.8351000
  1 1 1      19   -2   14 o    14.97000      0.3241000       15.32000 0.4709000       14.62000      0.4455000      0.7007000      0.6482000
  1 1 1      19   -2   15 o    8.037000      0.1631000       8.191000 0.2404000       7.883000      0.2204000      0.3081000      0.3261000
  1 1 1      19   -2   16 o    9.102000      0.2000000       8.874000 0.2427000       9.331000      0.3180000     -0.4569000      0.4000000
  1 1 1      19   -2   17 f    15.15000      0.3129000       15.07000 0.4343000       15.22000      0.4506000     -0.1448000      0.6259000
  1 1 1      19   -2   18 f    1.749000      0.4576000       1.269000 0.5548000       2.229000      0.7278000     -0.9593000      0.9152000
  1 1 1      19   -2   19 o    5.670000      0.2667000       6.267000 0.3143000       5.074000      0.4310000       1.193000      0.5334000
  1 1 1      19   -2   20 o    3.757000      0.4343000       3.886000 0.4684000       3.628000      0.7314000      0.2574000      0.8685000
  1 1 1      19   -2   21 o    8.602000      0.2680000       8.211000 0.3459000       8.992000      0.4093000     -0.7814000      0.5359000
  1 1 1      19   -2   22 o    6.160000      0.1730000       6.174000 0.2260000       6.145000      0.2620000      0.2829000E-01  0.3460000
  1 1 1      19   -2   23 o    4.182000      0.1704000       4.027000 0.2436000       4.338000      0.2383000     -0.3102000      0.3408000
  1 1 1      19   -2   24 o    5.401000      0.1523000       5.510000 0.2215000       5.293000      0.2091000      0.2178000      0.3046000
  1 1 1      19   -2   25 f    4.964000      0.2859000       5.468000 0.2363000       4.460000      0.5207000       1.008000      0.5718000
  1 1 1      19   -2   26 o    2.393000      0.3385000       2.792000 0.4263000       1.993000      0.5261000      0.7991000      0.6771000
  1 1 1      19   -2   27 o    4.080000      0.2006000       4.078000 0.2812000       4.083000      0.2862000     -0.5179000E-02  0.4013000
  1 1 1      19   -2   28 o    2.435000      0.3132000       2.367000 0.4412000       2.502000      0.4445000     -0.1347000      0.6263000
  1 1 1      19   -2   29 o    1.199000      0.3597000       1.283000 0.5020000       1.114000      0.5154000      0.1692000      0.7195000
  1 1 1      19   -1    0 o    5.138000      0.2713000       5.148000 0.4197000       5.128000      0.3438000      0.2077000E-01  0.5426000
  1 1 1      19   -1    1 o    6.192000      0.2361000       6.406000 0.3563000       5.978000      0.3099000      0.4280000      0.4722000
  1 1 1      19   -1    2 o    2.993000      0.3988000       2.092000 0.6944000       3.894000      0.3924000      -1.802000      0.7976000
  1 1 1      19   -1    3 o    10.23000      0.2600000       10.11000 0.4338000       10.35000      0.2868000     -0.2393000      0.5201000
  1 1 1      19   -1    4 f    3.828000      0.3053000       4.197000 0.4365000       3.459000      0.4270000      0.7381000      0.6106000
  1 1 1      19   -1    5 o    8.960000      0.2013000       9.064000 0.2983000       8.855000      0.2704000      0.2087000      0.4026000
  1 1 1      19   -1    6 o    2.725000      0.3726000       1.790000 0.6524000       3.659000      0.3603000      -1.869000      0.7453000
  1 1 1      19   -1    7 o    4.775000      0.2336000       4.755000 0.3597000       4.795000      0.2980000     -0.3974000E-01  0.4671000
  1 1 1      19   -1    8 o    8.964000      0.1894000       8.952000 0.2806000       8.975000      0.2544000     -0.2271000E-01  0.3788000
  1 1 1      19   -1    9 o    4.127000      0.2532000       4.078000 0.3933000       4.177000      0.3191000     -0.9851000E-01  0.5064000
  1 1 1      19   -1   10 o    8.809000      0.1869000       8.558000 0.2750000       9.059000      0.2533000     -0.5013000      0.3738000
  1 1 1      19   -1   11 o    2.874000      0.4594000       3.600000 0.5982000       2.148000      0.6974000       1.452000      0.9188000
  1 1 1      19   -1   12 o    13.03000      0.2988000       13.28000 0.4348000       12.78000      0.4099000      0.5020000      0.5975000
  1 1 1      19   -1   13 o    10.74000      0.1848000       10.53000 0.2650000       10.95000      0.2576000     -0.4146000      0.3696000
  1 1 1      19   -1   14 o    6.835000      0.1696000       6.633000 0.2502000       7.038000      0.2289000     -0.4054000      0.3391000
  1 1 1      19   -1   15 o    15.24000      0.3091000       15.38000 0.4429000       15.09000      0.4312000      0.2917000      0.6181000
  1 1 1      19   -1   16 o    2.275000      0.3302000       2.110000 0.4480000       2.440000      0.4853000     -0.3307000      0.6604000
  1 1 1      19   -1   17 o    7.658000      0.1560000       7.838000 0.2232000       7.477000      0.2179000      0.3605000      0.3120000
  1 1 1      19   -1   18 o    8.853000      0.1680000       8.882000 0.2375000       8.824000      0.2377000      0.5829000E-01  0.3360000
  1 1 1      19   -1   19 o    5.299000      0.2212000       5.269000 0.3082000       5.330000      0.3175000     -0.6103000E-01  0.4424000
  1 1 1      19   -1   20 o    5.702000      0.2276000       5.647000 0.3291000       5.757000      0.3145000     -0.1100000      0.4552000
  1 1 1      19   -1   21 o    8.765000      0.2261000       8.800000 0.3289000       8.730000      0.3102000      0.7005000E-01  0.4521000
  1 1 1      19   -1   22 f    9.263000      0.1548000       9.031000 0.2165000       9.494000      0.2215000     -0.4628000      0.3097000
  1 1 1      19   -1   23 o   0.8855000      0.2777000      0.9410000 0.4124000      0.8300000      0.3721000      0.1110000      0.5555000
  1 1 1      19   -1   24 o    4.934000      0.1466000       4.954000 0.2261000       4.914000      0.1866000      0.3984000E-01  0.2932000
  1 1 1      19   -1   25 o    5.610000      0.1648000       5.447000 0.2215000       5.773000      0.2441000     -0.3261000      0.3296000
  1 1 1      19    0    0 o    10.23000      0.2117000       10.49000 0.3058000       9.978000      0.2928000      0.5130000      0.4233000
  1 1 1      19    0    1 o    7.961000      0.2040000       7.958000 0.2919000       7.964000      0.2850000     -0.5641000E-02  0.4079000
  1 1 1      19    0    2 o    2.234000      0.4142000       1.949000 0.6296000       2.519000      0.5385000     -0.5704000      0.8285000
  1 1 1      19    0    3 o    9.709000      0.2473000       9.752000 0.4111000       9.667000      0.2750000      0.8503000E-01  0.4946000
  1 1 1      19    0    4 o    3.154000      0.3406000       3.191000 0.5145000       3.117000      0.4464000      0.7404000E-01  0.6812000
  1 1 1      19    0    5 o    4.588000      0.2522000       4.575000 0.3896000       4.601000      0.3203000     -0.2618000E-01  0.5044000
  1 1 1      19    0    6 o    8.045000      0.1966000       7.977000 0.2962000       8.113000      0.2586000     -0.1357000      0.3932000
  1 1 1      19    0    7 o    7.745000      0.1965000       7.538000 0.2922000       7.952000      0.2627000     -0.4142000      0.3929000
  1 1 1      19    0    8 o    6.891000      0.1944000       6.654000 0.2941000       7.127000      0.2544000     -0.4730000      0.3888000
  1 1 1      19    0    9 o    5.729000      0.2033000       5.339000 0.3159000       6.119000      0.2559000     -0.7803000      0.4065000
  1 1 1      19    0   10 o    12.31000      0.2911000       12.35000 0.4172000       12.27000      0.4060000      0.7679000E-01  0.5821000
  1 1 1      19    0   11 o    4.170000      0.3282000       4.040000 0.4913000       4.300000      0.4352000     -0.2604000      0.6563000
  1 1 1      19    0   12 o    11.00000      0.1890000       11.27000 0.2757000       10.74000      0.2587000      0.5253000      0.3780000
  1 1 1      19    0   13 o    2.563000      0.3286000       2.934000 0.4422000       2.191000      0.4862000      0.7425000      0.6572000
  1 1 1      19    0   14 o    12.02000      0.2633000       11.82000 0.3742000       12.21000      0.3705000     -0.3912000      0.5266000
  1 1 1      19    0   15 o    11.11000      0.1817000       10.89000 0.2590000       11.32000      0.2549000     -0.4310000      0.3634000
  1 1 1      19    0   16 o    15.64000      0.2265000       15.90000 0.3267000       15.38000      0.3138000      0.5296000      0.4530000
  1 1 1      19    0   17 o    4.206000      0.1758000       4.371000 0.2471000       4.041000      0.2501000      0.3300000      0.3516000
  1 1 1      19    0   18 o    13.23000      0.1957000       13.23000 0.2771000       13.23000      0.2764000     -0.7742000E-02  0.3914000
  1 1 1      19    0   19 o    5.486000      0.1905000       5.265000 0.2559000       5.707000      0.2823000     -0.4425000      0.3810000
  1 1 1      19    0   20 o    2.403000      0.3946000       2.510000 0.5658000       2.296000      0.5501000      0.2142000      0.7891000
  1 1 1      19    0   21 o    6.268000      0.2193000       6.410000 0.3235000       6.126000      0.2960000      0.2842000      0.4385000
  1 1 1      19    0   22 o    3.715000      0.2447000       3.395000 0.4427000       4.035000      0.2085000     -0.6407000      0.4893000
  1 1 1      19    0   23 o    8.628000      0.1385000       8.738000 0.2024000       8.518000      0.1892000      0.2206000      0.2770000
  1 1 1      19    1    0 o    12.17000      0.2209000       12.12000 0.3101000       12.22000      0.3148000     -0.9491000E-01  0.4418000
  1 1 1      19    1    1 o    6.712000      0.2151000       7.054000 0.3038000       6.371000      0.3047000      0.6834000      0.4303000
  1 1 1      19    1    2 o    4.356000      0.2591000       4.332000 0.3712000       4.379000      0.3615000     -0.4703000E-01  0.5182000
  1 1 1      19    1    3 f    8.462000      0.1967000       8.284000 0.2774000       8.640000      0.2790000     -0.3559000      0.3934000
  1 1 1      19    1    4 o    7.515000      0.1960000       7.509000 0.2788000       7.522000      0.2756000     -0.1284000E-01  0.3920000
  1 1 1      19    1    5 o    1.554000      0.4159000       1.655000 0.6039000       1.452000      0.5721000      0.2034000      0.8318000
  1 1 1      19    1    6 o    8.593000      0.1877000       8.503000 0.2675000       8.682000      0.2633000     -0.1798000      0.3753000
  1 1 1      19    1    7 o    6.505000      0.2004000       6.658000 0.3023000       6.351000      0.2631000      0.3066000      0.4007000
  1 1 1      19    1    8 o    9.867000      0.1935000       9.968000 0.2862000       9.766000      0.2606000      0.2015000      0.3871000
  1 1 1      19    1    9 o    6.237000      0.2839000       5.984000 0.4144000       6.491000      0.3883000     -0.5067000      0.5679000
  1 1 1      19    1   10 o    5.757000      0.2861000       5.380000 0.4406000       6.134000      0.3650000     -0.7539000      0.5721000
  1 1 1      19    1   11 o    3.718000      0.2499000       3.962000 0.3547000       3.474000      0.3520000      0.4880000      0.4997000
  1 1 1      19    1   12 o    3.589000      0.3008000       3.893000 0.3686000       3.286000      0.4755000      0.6072000      0.6016000
  1 1 1      19    1   13 o    5.519000      0.2569000       5.395000 0.3906000       5.643000      0.3340000     -0.2474000      0.5139000
  1 1 1      19    1   14 o    4.999000      0.2347000       5.526000 0.3871000       4.471000      0.2657000       1.055000      0.4695000
  1 1 1      19    1   15 o    7.496000      0.1608000       7.619000 0.2353000       7.372000      0.2191000      0.2465000      0.3215000
  1 1 1      19    1   16 o    7.547000      0.1562000       7.619000 0.2274000       7.474000      0.2142000      0.1448000      0.3124000
  1 1 1      19    1   17 o    3.260000      0.2145000       2.752000 0.3515000       3.768000      0.2461000      -1.016000      0.4290000
  1 1 1      19    1   18 o    10.93000      0.1696000       10.77000 0.2400000       11.09000      0.2398000     -0.3210000      0.3392000
  1 1 1      19    1   19 o    9.545000      0.1911000       9.727000 0.3066000       9.364000      0.2281000      0.3630000      0.3821000
  1 1 1      19    1   20 o    3.366000      0.2772000       3.686000 0.3636000       3.047000      0.4185000      0.6386000      0.5544000
  1 1 1      19    1   21 o    3.582000      0.2628000       3.931000 0.3612000       3.233000      0.3817000      0.6973000      0.5256000
  1 1 1      19    2    0 o    1.320000      0.5847000                  ?       ?   1.320000      0.5847000                  ?              ?
  1 1 1      19    2    1 o    2.438000      0.4103000       2.059000 0.6277000       2.816000      0.5284000     -0.7568000      0.8205000
  1 1 1      19    2    2 o    6.931000      0.2067000       7.071000 0.2978000       6.792000      0.2867000      0.2792000      0.4134000
  1 1 1      19    2    3 o    11.82000      0.2095000       11.84000 0.2966000       11.80000      0.2960000      0.4058000E-01  0.4190000
  1 1 1      19    2    4 o    4.711000      0.2411000       4.237000 0.3578000       5.185000      0.3233000     -0.9489000      0.4823000
  1 1 1      19    2    5 o    2.615000      0.3832000       2.725000 0.5205000       2.505000      0.5625000      0.2201000      0.7663000
  1 1 1      19    2    6 o    10.17000      0.1947000       10.10000 0.2743000       10.23000      0.2765000     -0.1228000      0.3895000
  1 1 1      19    2    7 o    12.64000      0.2097000       12.70000 0.2976000       12.57000      0.2954000      0.1332000      0.4193000
  1 1 1      19    2    8 o    8.532000      0.1813000       8.703000 0.2588000       8.361000      0.2540000      0.3419000      0.3627000
  1 1 1      19    2    9 o    10.04000      0.2713000       9.978000 0.3923000       10.10000      0.3749000     -0.1242000      0.5426000
  1 1 1      19    2   10 o    3.720000      0.3332000       3.574000 0.5768000       3.867000      0.3339000     -0.2927000      0.6665000
  1 1 1      19    2   11 o    7.057000      0.1826000       7.209000 0.2695000       6.904000      0.2465000      0.3051000      0.3652000
  1 1 1      19    2   12 o    14.90000      0.3179000       14.92000 0.4582000       14.87000      0.4409000      0.4982000E-01  0.6359000
  1 1 1      19    2   13 o    12.27000      0.1976000       12.44000 0.2863000       12.10000      0.2724000      0.3448000      0.3952000
  1 1 1      19    2   14 o    8.936000      0.1709000       9.014000 0.2482000       8.858000      0.2349000      0.1560000      0.3418000
  1 1 1      19    2   15 o    6.040000      0.1667000       6.181000 0.2448000       5.900000      0.2262000      0.2815000      0.3333000
  1 1 1      19    2   16 o    10.56000      0.1732000       10.55000 0.2501000       10.56000      0.2396000     -0.8451000E-02  0.3464000
  1 1 1      19    2   17 o    10.87000      0.1716000       10.40000 0.2394000       11.34000      0.2460000     -0.9406000      0.3432000
  1 1 1      19    2   18 o    3.161000      0.1911000       3.238000 0.2820000       3.085000      0.2579000      0.1533000      0.3822000
  1 1 1      19    2   19 o    5.935000      0.1838000       5.633000 0.3176000       6.237000      0.1852000     -0.6038000      0.3676000
  1 1 1      19    2   20 o    5.919000      0.1922000       6.216000 0.2956000       5.622000      0.2459000      0.5934000      0.3845000
  1 1 1      19    3    0 o    1.086000      0.3568000      0.9275000 0.4421000       1.245000      0.5603000     -0.3179000      0.7137000
  1 1 1      19    3    1 o    3.941000      0.3091000       4.486000 0.3925000       3.397000      0.4775000       1.089000      0.6182000
  1 1 1      19    3    2 o    3.704000      0.2991000       3.666000 0.4173000       3.743000      0.4287000     -0.7699000E-01  0.5983000
  1 1 1      19    3    3 o    7.021000      0.2005000       6.883000 0.2785000       7.159000      0.2885000     -0.2756000      0.4010000
  1 1 1      19    3    4 o    8.170000      0.1969000       8.124000 0.2782000       8.215000      0.2788000     -0.9080000E-01  0.3939000
  1 1 1      19    3    5 o    6.532000      0.1977000       6.293000 0.2839000       6.771000      0.2751000     -0.4779000      0.3954000
  1 1 1      19    3    6 o    4.003000      0.2704000       4.282000 0.3588000       3.723000      0.4047000      0.5595000      0.5409000
  1 1 1      19    3    7 o    10.28000      0.1927000       10.42000 0.2740000       10.14000      0.2709000      0.2805000      0.3853000
  1 1 1      19    3    8 o    13.16000      0.3053000       13.33000 0.4411000       12.99000      0.4223000      0.3337000      0.6107000
  1 1 1      19    3    9 o    10.14000      0.2706000       9.925000 0.3900000       10.35000      0.3752000     -0.4223000      0.5412000
  1 1 1      19    3   10 o    6.513000      0.2317000       6.409000 0.2580000       6.617000      0.3850000     -0.2078000      0.4635000
  1 1 1      19    3   11 o    4.019000      0.2834000       4.123000 0.3722000       3.914000      0.4275000      0.2096000      0.5668000
  1 1 1      19    3   12 o    13.03000      0.2820000       13.01000 0.3949000       13.06000      0.4026000     -0.4965000E-01  0.5640000
  1 1 1      19    3   13 o    12.95000      0.2535000       13.20000 0.4225000       12.70000      0.2802000      0.4999000      0.5070000
  1 1 1      19    3   14 o    4.113000      0.2136000       4.198000 0.3187000       4.028000      0.2846000      0.1696000      0.4273000
  1 1 1      19    3   15 o    2.907000      0.2651000       2.965000 0.4075000       2.849000      0.3392000      0.1163000      0.5302000
  1 1 1      19    3   16 o    6.356000      0.1573000       6.506000 0.2336000       6.206000      0.2106000      0.2992000      0.3145000
  1 1 1      19    3   17 o    4.393000      0.1705000       4.379000 0.2595000       4.407000      0.2212000     -0.2811000E-01  0.3410000
  1 1 1      19    3   18 f    4.407000      0.1539000       4.647000 0.2271000       4.166000      0.2077000      0.4806000      0.3077000
  1 1 1      19    3   19 o    7.433000      0.1310000       7.193000 0.1876000       7.674000      0.1829000     -0.4810000      0.2620000
  1 1 1      19    4    0 o    4.662000      0.2739000       4.943000 0.3662000       4.381000      0.4075000      0.5624000      0.5478000
  1 1 1      19    4    1 o    9.809000      0.2087000       9.711000 0.2971000       9.907000      0.2933000     -0.1960000      0.4174000
  1 1 1      19    4    2 o    8.986000      0.2030000       9.146000 0.2892000       8.826000      0.2850000      0.3198000      0.4061000
  1 1 1      19    4    3 o    9.110000      0.1994000       9.079000 0.2807000       9.141000      0.2833000     -0.6232000E-01  0.3989000
  1 1 1      19    4    4 o    7.640000      0.1965000       7.588000 0.2755000       7.692000      0.2802000     -0.1039000      0.3929000
  1 1 1      19    4    5 o    5.088000      0.2268000       5.066000 0.3123000       5.111000      0.3291000     -0.4591000E-01  0.4537000
  1 1 1      19    4    6 f    1.907000      0.4345000       1.763000 0.6218000       2.051000      0.6069000     -0.2877000      0.8689000
  1 1 1      19    4    7 o    3.109000      0.3125000       3.301000 0.4230000       2.916000      0.4601000      0.3848000      0.6250000
  1 1 1      19    4    8 o    10.82000      0.2812000       10.55000 0.4014000       11.08000      0.3938000     -0.5273000      0.5624000
  1 1 1      19    4    9 o    3.659000      0.2518000       3.802000 0.3287000       3.515000      0.3815000      0.2867000      0.5036000
  1 1 1      19    4   10 o    6.831000      0.1804000       6.860000 0.2546000       6.801000      0.2558000      0.5949000E-01  0.3609000
  1 1 1      19    4   11 o    2.347000      0.4411000       2.119000 0.6117000       2.576000      0.6356000     -0.4565000      0.8821000
  1 1 1      19    4   12 o    4.165000      0.2110000       3.882000 0.2973000       4.447000      0.2995000     -0.5644000      0.4220000
  1 1 1      19    4   13 o    15.69000      0.2313000       16.02000 0.3321000       15.36000      0.3221000      0.6563000      0.4626000
  1 1 1      19    4   14 o    5.055000      0.1748000       5.328000 0.2373000       4.781000      0.2568000      0.5472000      0.3496000
  1 1 1      19    4   15 o    4.739000      0.1739000       4.551000 0.2489000       4.927000      0.2430000     -0.3765000      0.3478000
  1 1 1      19    4   16 o    8.822000      0.1992000       8.587000 0.3322000       9.056000      0.2200000     -0.4687000      0.3985000
  1 1 1      19    4   17 o    4.330000      0.1751000       4.053000 0.2762000       4.606000      0.2152000     -0.5524000      0.3502000
  1 1 1      19    4   18 o    6.009000      0.1404000       5.708000 0.2114000       6.311000      0.1849000     -0.6029000      0.2809000
  1 1 1      19    4   19 o    3.715000      0.1449000       3.794000 0.2184000       3.637000      0.1905000      0.1567000      0.2898000
  1 1 1      19    5    0 o    5.812000      0.2351000       5.727000 0.3350000       5.898000      0.3299000     -0.1708000      0.4701000
  1 1 1      19    5    1 o    13.86000      0.2341000       13.80000 0.3320000       13.92000      0.3302000     -0.1128000      0.4683000
  1 1 1      19    5    2 o    17.88000      0.2709000       18.02000 0.3859000       17.73000      0.3804000      0.2867000      0.5419000
  1 1 1      19    5    3 o    9.232000      0.1994000       9.313000 0.2832000       9.150000      0.2808000      0.1628000      0.3988000
  1 1 1      19    5    4 o    11.86000      0.2099000       11.89000 0.2973000       11.82000      0.2962000      0.7771000E-01  0.4197000
  1 1 1      19    5    5 o    3.959000      0.2798000       3.365000 0.4376000       4.553000      0.3488000      -1.188000      0.5596000
  1 1 1      19    5    6 o    6.015000      0.2058000       6.021000 0.2929000       6.009000      0.2892000      0.1206000E-01  0.4117000
  1 1 1      19    5    7 o    11.06000      0.2818000       11.11000 0.4049000       11.01000      0.3920000      0.9449000E-01  0.5636000
  1 1 1      19    5    8 f    1.748000      0.4610000       2.285000 0.7276000       1.210000      0.5663000       1.076000      0.9221000
  1 1 1      19    5    9 o    6.514000      0.1860000       6.539000 0.2635000       6.490000      0.2625000      0.4838000E-01  0.3719000
  1 1 1      19    5   10 o    10.35000      0.1869000       10.21000 0.2612000       10.49000      0.2674000     -0.2830000      0.3738000
  1 1 1      19    5   11 o    8.008000      0.2382000       8.209000 0.3280000       7.807000      0.3454000      0.4016000      0.4763000
  1 1 1      19    5   12 o    7.539000      0.1721000       7.746000 0.2415000       7.332000      0.2453000      0.4142000      0.3442000
  1 1 1      19    5   13 o    10.27000      0.1781000       10.26000 0.2518000       10.28000      0.2519000     -0.1409000E-01  0.3562000
  1 1 1      19    5   14 f    1.438000      0.3665000       1.221000 0.5025000       1.654000      0.5337000     -0.4332000      0.7331000
  1 1 1      19    5   15 o    9.405000      0.1642000       9.390000 0.2316000       9.420000      0.2328000     -0.3006000E-01  0.3284000
  1 1 1      19    5   16 o    8.983000      0.1561000       8.969000 0.2221000       8.997000      0.2194000     -0.2758000E-01  0.3122000
  1 1 1      19    5   17 o    8.637000      0.1484000       8.575000 0.2115000       8.698000      0.2083000     -0.1223000      0.2969000
  1 1 1      19    5   18 o    6.389000      0.1297000       6.395000 0.1857000       6.382000      0.1812000      0.1255000E-01  0.2595000
  1 1 1      19    5   19 o    2.242000      0.2548000       1.597000 0.4596000       2.888000      0.2199000      -1.291000      0.5095000
  1 1 1      19    6    0 o    5.234000      0.2555000       5.208000 0.3665000       5.259000      0.3561000     -0.5148000E-01  0.5110000
  1 1 1      19    6    1 o    8.009000      0.2911000                  ?       ?   8.009000      0.2911000                  ?              ?
  1 1 1      19    6    2 o    10.54000      0.2096000       10.64000 0.2990000       10.45000      0.2939000      0.1918000      0.4193000
  1 1 1      19    6    3 o    8.627000      0.2010000       8.529000 0.2884000       8.724000      0.2800000     -0.1942000      0.4020000
  1 1 1      19    6    4 o    5.971000      0.2160000       5.981000 0.3054000       5.960000      0.3054000      0.2116000E-01  0.4319000
  1 1 1      19    6    5 o    7.246000      0.2014000       7.161000 0.2841000       7.331000      0.2854000     -0.1706000      0.4027000
  1 1 1      19    6    6 o    9.274000      0.1938000       9.382000 0.2745000       9.166000      0.2737000      0.2158000      0.3876000
  1 1 1      19    6    7 o    11.38000      0.2856000       11.60000 0.4135000       11.16000      0.3941000      0.4430000      0.5712000
  1 1 1      19    6    8 o    2.898000      0.4841000       3.208000 0.6730000       2.588000      0.6960000      0.6197000      0.9682000
  1 1 1      19    6    9 o    7.784000      0.1858000       7.954000 0.2637000       7.613000      0.2619000      0.3411000      0.3716000
  1 1 1      19    6   10 o    11.99000      0.1994000       12.12000 0.2842000       11.86000      0.2797000      0.2595000      0.3988000
  1 1 1      19    6   11 o    13.83000      0.3028000       14.21000 0.4324000       13.45000      0.4242000      0.7517000      0.6057000
  1 1 1      19    6   12 o    8.500000      0.1758000       8.468000 0.2477000       8.533000      0.2496000     -0.6530000E-01  0.3516000
  1 1 1      19    6   13 o    8.958000      0.1709000       8.739000 0.2400000       9.176000      0.2433000     -0.4372000      0.3418000
  1 1 1      19    6   14 o    3.879000      0.2209000       3.841000 0.3205000       3.917000      0.3040000     -0.7606000E-01  0.4417000
  1 1 1      19    6   15 o    9.398000      0.1648000       9.520000 0.2345000       9.277000      0.2315000      0.2430000      0.3295000
  1 1 1      19    6   16 o    2.669000      0.2613000       2.867000 0.3535000       2.471000      0.3848000      0.3957000      0.5225000
  1 1 1      19    6   17 o    12.98000      0.1908000       13.01000 0.2703000       12.96000      0.2694000      0.5064000E-01  0.3816000
  1 1 1      19    6   18 o    5.258000      0.1330000       5.222000 0.1947000       5.293000      0.1813000     -0.7143000E-01  0.2660000
  1 1 1      19    6   19 o    1.570000      0.2679000       1.784000 0.3675000       1.356000      0.3900000      0.4282000      0.5359000
  1 1 1      19    7    0 o    8.013000      0.2167000       8.393000 0.3040000       7.633000      0.3088000      0.7600000      0.4333000
  1 1 1      19    7    1 f    8.941000      0.2953000                  ?       ?   8.941000      0.2953000                  ?              ?
  1 1 1      19    7    2 o    6.780000      0.2197000       6.747000 0.3158000       6.814000      0.3056000     -0.6725000E-01  0.4394000
  1 1 1      19    7    3 o    7.115000      0.2091000       7.232000 0.2986000       6.998000      0.2928000      0.2342000      0.4182000
  1 1 1      19    7    4 o    8.672000      0.1970000       8.572000 0.2805000       8.771000      0.2767000     -0.1996000      0.3940000
  1 1 1      19    7    5 o    3.333000      0.3312000       3.571000 0.4279000       3.096000      0.5056000      0.4751000      0.6624000
  1 1 1      19    7    6 f    1.500000      0.4135000       1.821000 0.6303000       1.178000      0.5354000      0.6435000      0.8270000
  1 1 1      19    7    7 o    5.085000      0.3197000       4.997000 0.4826000       5.173000      0.4195000     -0.1767000      0.6394000
  1 1 1      19    7    8 o    7.213000      0.2702000       7.520000 0.3934000       6.905000      0.3705000      0.6151000      0.5404000
  1 1 1      19    7    9 o    4.894000      0.2159000       4.946000 0.3080000       4.842000      0.3027000      0.1034000      0.4319000
  1 1 1      19    7   10 o    9.210000      0.1826000       9.017000 0.2566000       9.404000      0.2599000     -0.3862000      0.3653000
  1 1 1      19    7   11 o    9.950000      0.2567000       10.16000 0.3580000       9.738000      0.3681000      0.4240000      0.5135000
  1 1 1      19    7   12 o    7.525000      0.1772000       7.468000 0.2475000       7.581000      0.2538000     -0.1126000      0.3545000
  1 1 1      19    7   13 o    6.916000      0.1705000       6.766000 0.2448000       7.066000      0.2375000     -0.2997000      0.3411000
  1 1 1      19    7   14 f    4.982000      0.1884000       5.056000 0.2755000       4.907000      0.2572000      0.1485000      0.3769000
  1 1 1      19    7   15 o    8.522000      0.1609000       8.540000 0.2299000       8.505000      0.2251000      0.3468000E-01  0.3217000
  1 1 1      19    7   16 o    4.985000      0.1663000       4.999000 0.2418000       4.971000      0.2282000      0.2777000E-01  0.3325000
  1 1 1      19    7   17 o    6.250000      0.1439000       6.172000 0.2081000       6.328000      0.1989000     -0.1557000      0.2878000
  1 1 1      19    7   18 o    4.196000      0.1451000       4.337000 0.2129000       4.056000      0.1973000      0.2814000      0.2903000
  1 1 1      19    7   19 o    4.763000      0.1261000       4.738000 0.1846000       4.787000      0.1718000     -0.4829000E-01  0.2522000
  1 1 1      19    7   20 o    4.398000      0.1304000       4.323000 0.1699000       4.473000      0.1979000     -0.1491000      0.2608000
  1 1 1      19    8    0 o    4.707000      0.2809000       4.190000 0.4308000       5.224000      0.3606000      -1.034000      0.5618000
  1 1 1      19    8    1 o    9.767000      0.2127000       9.723000 0.3042000       9.812000      0.2973000     -0.8936000E-01  0.4254000
  1 1 1      19    8    2 o    2.515000      0.4450000       2.797000 0.6043000       2.233000      0.6534000      0.5640000      0.8900000
  1 1 1      19    8    3 o    1.641000      0.4413000       1.848000 0.6503000       1.434000      0.5968000      0.4137000      0.8826000
  1 1 1      19    8    4 o    2.719000      0.3988000       2.198000 0.6434000       3.240000      0.4713000      -1.042000      0.7976000
  1 1 1      19    8    5 o    6.673000      0.2085000       6.521000 0.3002000       6.825000      0.2895000     -0.3039000      0.4171000
  1 1 1      19    8    6 o    4.609000      0.2475000       4.391000 0.3673000       4.827000      0.3319000     -0.4358000      0.4951000
  1 1 1      19    8    7 o    7.394000      0.1943000       7.364000 0.2793000       7.425000      0.2701000     -0.6102000E-01  0.3885000
  1 1 1      19    8    8 o    11.77000      0.2852000       11.75000 0.4141000       11.78000      0.3924000     -0.3048000E-01  0.5705000
  1 1 1      19    8    9 o    4.131000      0.2486000       4.058000 0.3472000       4.203000      0.3559000     -0.1452000      0.4972000
  1 1 1      19    8   10 o    10.80000      0.1912000       10.78000 0.2711000       10.82000      0.2697000     -0.4616000E-01  0.3824000
  1 1 1      19    8   11 o    6.963000      0.2603000       7.075000 0.3570000       6.850000      0.3788000      0.2252000      0.5205000
  1 1 1      19    8   12 o    8.429000      0.2536000       8.499000 0.3487000       8.360000      0.3682000      0.1390000      0.5071000
  1 1 1      19    8   13 f    5.953000      0.1780000       5.977000 0.2556000       5.928000      0.2480000      0.4911000E-01  0.3561000
  1 1 1      19    8   14 f    10.25000      0.1784000       10.23000 0.2523000       10.26000      0.2524000     -0.3917000E-01  0.3568000
  1 1 1      19    8   15 o    9.486000      0.1669000       9.211000 0.2343000       9.761000      0.2378000     -0.5499000      0.3339000
  1 1 1      19    8   16 o    4.960000      0.1679000       4.610000 0.2526000       5.310000      0.2213000     -0.7004000      0.3358000
  1 1 1      19    8   17 o    3.888000      0.2317000       3.927000 0.3994000       3.849000      0.2350000      0.7764000E-01  0.4634000
  1 1 1      19    8   18 o    2.671000      0.2019000       2.544000 0.3199000       2.799000      0.2465000     -0.2559000      0.4039000
  1 1 1      19    8   19 o    4.434000      0.1950000       4.230000 0.3455000       4.639000      0.1811000     -0.4089000      0.3901000
  1 1 1      19    8   20 f    2.994000      0.2315000       3.560000 0.2218000       2.428000      0.4065000       1.132000      0.4630000
  1 1 1      19    8   21 o    6.634000      0.2000000       6.437000 0.2514000       6.832000      0.3113000     -0.3948000      0.4001000
  1 1 1      19    8   22 o    6.177000      0.1889000       6.040000 0.3168000       6.315000      0.2059000     -0.2748000      0.3779000
  1 1 1      19    8   23 o    1.309000      0.3232000       1.404000 0.4743000       1.214000      0.4392000      0.1898000      0.6464000
  1 1 1      19    9    0 o    8.009000      0.2187000       7.680000 0.3157000       8.337000      0.3028000     -0.6573000      0.4374000
  1 1 1      19    9    1 o    12.83000      0.2255000       12.58000 0.3188000       13.08000      0.3190000     -0.4955000      0.4510000
  1 1 1      19    9    2 o    4.218000      0.3052000       3.854000 0.4736000       4.582000      0.3851000     -0.7284000      0.6104000
  1 1 1      19    9    3 o    8.836000      0.2059000       8.930000 0.2964000       8.743000      0.2858000      0.1870000      0.4117000
  1 1 1      19    9    4 o    4.563000      0.2693000       4.565000 0.3847000       4.560000      0.3770000      0.4718000E-02  0.5386000
  1 1 1      19    9    5 o    14.23000      0.2296000       14.28000 0.3261000       14.18000      0.3234000      0.9344000E-01  0.4593000
  1 1 1      19    9    6 o    8.500000      0.1987000       8.490000 0.2848000       8.510000      0.2771000     -0.2007000E-01  0.3973000
  1 1 1      19    9    7 o    5.591000      0.2194000       5.501000 0.3197000       5.682000      0.3007000     -0.1818000      0.4389000
  1 1 1      19    9    8 o    4.844000      0.3291000       4.773000 0.5041000       4.915000      0.4232000     -0.1419000      0.6582000
  1 1 1      19    9    9 o    3.896000      0.3925000       3.518000 0.6492000       4.275000      0.4414000     -0.7572000      0.7850000
  1 1 1      19    9   10 o    4.487000      0.2367000       4.450000 0.3396000       4.525000      0.3297000     -0.7456000E-01  0.4733000
  1 1 1      19    9   11 f    9.211000      0.1836000       9.055000 0.2607000       9.367000      0.2587000     -0.3124000      0.3672000
  1 1 1      19    9   12 o    6.923000      0.2634000       6.854000 0.3558000       6.991000      0.3884000     -0.1376000      0.5267000
  1 1 1      19    9   13 o    11.18000      0.2722000       11.03000 0.3719000       11.32000      0.3976000     -0.2944000      0.5445000
  1 1 1      19    9   14 o    16.71000      0.2419000       16.66000 0.3407000       16.77000      0.3434000     -0.1098000      0.4838000
  1 1 1      19    9   15 o    13.49000      0.2038000       13.63000 0.2901000       13.35000      0.2863000      0.2851000      0.4076000
  1 1 1      19    9   16 o    10.60000      0.1721000       10.69000 0.2438000       10.52000      0.2428000      0.1646000      0.3441000
  1 1 1      19    9   17 o    3.507000      0.1864000       3.324000 0.2824000       3.689000      0.2433000     -0.3649000      0.3727000
  1 1 1      19    9   18 f    4.540000      0.1402000       4.673000 0.2072000       4.407000      0.1890000      0.2662000      0.2805000
  1 1 1      19    9   19 o    8.517000      0.1441000       8.510000 0.1992000       8.525000      0.2084000     -0.1476000E-01  0.2883000
  1 1 1      19    9   20 o    6.530000      0.1739000       6.643000 0.2061000       6.418000      0.2801000      0.2251000      0.3477000
  1 1 1      19    9   21 o    4.882000      0.2229000       4.800000 0.2956000       4.965000      0.3337000     -0.1648000      0.4458000
  1 1 1      19    9   22 o    11.82000      0.1901000       11.73000 0.2588000       11.91000      0.2785000     -0.1818000      0.3802000
  1 1 1      19    9   23 o    1.952000      0.3167000       2.093000 0.4213000       1.811000      0.4729000      0.2821000      0.6333000
  1 1 1      19    9   24 f    4.005000      0.1621000       3.794000 0.2315000       4.217000      0.2269000     -0.4229000      0.3241000
  1 1 1      19    9   25 o    4.889000      0.1486000       4.888000 0.2017000       4.889000      0.2184000     -0.1094000E-02  0.2973000
  1 1 1      19    9   26 o    9.365000      0.1551000       9.611000 0.2218000       9.119000      0.2169000      0.4922000      0.3102000
  1 1 1      19    9   27 o    4.166000      0.1842000       4.596000 0.2234000       3.737000      0.2930000      0.8596000      0.3684000
  1 1 1      19    9   28 o    3.663000      0.1859000       3.607000 0.2257000       3.719000      0.2955000     -0.1117000      0.3718000
  1 1 1      19    9   29 o    1.398000      0.3504000       1.371000 0.4563000       1.424000      0.5318000     -0.5256000E-01  0.7007000
  1 1 1      19    9   30 o    2.629000      0.4213000                  ?       ?   2.629000      0.4213000                  ?              ?
  1 1 1      19    9   31 f    2.254000      0.3125000       2.072000 0.4450000       2.435000      0.4389000     -0.3630000      0.6250000
  1 1 1      19    9   32 o    3.312000      0.2381000       3.492000 0.2993000       3.131000      0.3705000      0.3613000      0.4763000
  1 1 1      19    9   33 o    1.274000      0.3690000       1.532000 0.5668000       1.015000      0.4726000      0.5168000      0.7380000
  1 1 1      19   10    0 o    5.352000      0.2935000       5.607000 0.3641000       5.097000      0.4604000      0.5104000      0.5870000
  1 1 1      19   10    1 o    8.550000      0.2560000       8.223000 0.4181000       8.876000      0.2956000     -0.6525000      0.5120000
  1 1 1      19   10    2 o    6.207000      0.3215000                  ?       ?   6.207000      0.3215000                  ?              ?
  1 1 1      19   10    3 o    3.910000      0.3984000       3.832000 0.6774000       3.989000      0.4195000     -0.1572000      0.7967000
  1 1 1      19   10    4 o    12.22000      0.2155000       12.35000 0.3079000       12.10000      0.3017000      0.2485000      0.4311000
  1 1 1      19   10    5 o    8.844000      0.1983000       8.794000 0.2808000       8.895000      0.2799000     -0.1007000      0.3965000
  1 1 1      19   10    6 o    5.731000      0.2165000       5.441000 0.3170000       6.020000      0.2951000     -0.5788000      0.4331000
  1 1 1      19   10    7 o    5.986000      0.2108000       5.867000 0.3054000       6.105000      0.2906000     -0.2375000      0.4216000
  1 1 1      19   10    8 o    4.192000      0.2539000       4.509000 0.3499000       3.875000      0.3680000      0.6338000      0.5078000
  1 1 1      19   10    9 o    3.258000      0.4236000       4.141000 0.5141000       2.375000      0.6734000       1.765000      0.8472000
  1 1 1      19   10   10 o    8.538000      0.2562000       8.662000 0.3779000       8.415000      0.3460000      0.2469000      0.5123000
  1 1 1      19   10   11 o    5.291000      0.2024000       5.537000 0.2850000       5.045000      0.2874000      0.4923000      0.4047000
  1 1 1      19   10   12 o    6.386000      0.1815000       6.254000 0.2611000       6.517000      0.2521000     -0.2633000      0.3630000
  1 1 1      19   10   13 o    3.006000      0.4607000       2.547000 0.6550000       3.465000      0.6480000     -0.9186000      0.9214000
  1 1 1      19   10   14 o    10.23000      0.2654000       9.854000 0.3563000       10.61000      0.3934000     -0.7552000      0.5308000
  1 1 1      19   10   15 o    9.844000      0.1710000       9.828000 0.2420000       9.860000      0.2416000     -0.3195000E-01  0.3419000
  1 1 1      19   10   16 o    8.409000      0.1572000       8.380000 0.2233000       8.438000      0.2213000     -0.5769000E-01  0.3144000
  1 1 1      19   10   17 o    3.505000      0.1768000       3.603000 0.2579000       3.408000      0.2418000      0.1955000      0.3535000
  1 1 1      19   10   18 o    5.214000      0.1404000       5.311000 0.1960000       5.116000      0.2012000      0.1951000      0.2809000
  1 1 1      19   10   19 o    7.295000      0.1469000       7.251000 0.1966000       7.339000      0.2182000     -0.8809000E-01  0.2937000
  1 1 1      19   10   20 o    4.474000      0.2430000       4.426000 0.2743000       4.521000      0.4011000     -0.9419000E-01  0.4859000
  1 1 1      19   10   21 o    3.533000      0.3301000       4.153000 0.3142000       2.913000      0.5806000       1.241000      0.6602000
  1 1 1      19   10   22 o    11.49000      0.2525000       11.36000 0.3429000       11.62000      0.3707000     -0.2646000      0.5049000
  1 1 1      19   10   23 o    4.381000      0.1934000       4.159000 0.2523000       4.602000      0.2933000     -0.4433000      0.3868000
  1 1 1      19   10   24 o    4.597000      0.1637000       4.741000 0.2159000       4.453000      0.2463000      0.2890000      0.3275000
  1 1 1      19   10   25 o    6.350000      0.1450000       6.342000 0.1974000       6.358000      0.2125000     -0.1606000E-01  0.2900000
  1 1 1      19   10   26 o    4.620000      0.1669000       4.678000 0.2223000       4.562000      0.2491000      0.1154000      0.3339000
  1 1 1      19   10   27 o    2.745000      0.2806000       3.036000 0.3300000       2.454000      0.4539000      0.5821000      0.5612000
  1 1 1      19   10   28 o    5.116000      0.1746000       5.449000 0.2260000       4.783000      0.2662000      0.6665000      0.3493000
  1 1 1      19   10   29 o    4.359000      0.2008000       4.371000 0.2762000       4.346000      0.2916000      0.2459000E-01  0.4016000
  1 1 1      19   10   30 o    1.320000      0.3435000       1.273000 0.4248000       1.367000      0.5400000     -0.9380000E-01  0.6871000
  1 1 1      19   10   31 o    1.056000      0.3377000      0.9020000 0.4283000       1.210000      0.5223000     -0.3076000      0.6755000
  1 1 1      19   10   32 o    3.083000      0.3000000       2.680000 0.4543000       3.486000      0.3920000     -0.8058000      0.6001000
  1 1 1      19   10   33 o    3.135000      0.7116000                  ?       ?   3.135000      0.7116000                  ?              ?
  1 1 1      19   11    0 o    6.065000      0.3505000       6.065000 0.3505000                  ?              ?              ?              ?
  1 1 1      19   11    1 o    6.065000      0.2397000       6.188000 0.3380000       5.942000      0.3399000      0.2458000      0.4794000
  1 1 1      19   11    2 o    7.692000      0.3004000                  ?       ?   7.692000      0.3004000                  ?              ?
  1 1 1      19   11    3 o    8.658000      0.2073000       8.819000 0.2972000       8.497000      0.2891000      0.3218000      0.4146000
  1 1 1      19   11    4 o    8.840000      0.2016000       8.797000 0.2902000       8.883000      0.2800000     -0.8535000E-01  0.4032000
  1 1 1      19   11    5 o    5.080000      0.2408000       5.076000 0.3349000       5.083000      0.3460000     -0.7319000E-02  0.4815000
  1 1 1      19   11    6 o    10.95000      0.2053000       11.13000 0.2938000       10.76000      0.2869000      0.3790000      0.4106000
  1 1 1      19   11    7 f    5.634000      0.2158000       5.566000 0.3140000       5.703000      0.2960000     -0.1369000      0.4316000
  1 1 1      19   11    8 o    8.479000      0.1928000       8.443000 0.2729000       8.515000      0.2724000     -0.7173000E-01  0.3856000
  1 1 1      19   11    9 o    4.707000      0.2282000       4.794000 0.3307000       4.619000      0.3144000      0.1751000      0.4563000
  1 1 1      19   11   10 o    3.970000      0.3499000       3.817000 0.5597000       4.122000      0.4201000     -0.3053000      0.6998000
  1 1 1      19   11   11 o    10.73000      0.2600000       10.96000 0.3839000       10.50000      0.3507000      0.4601000      0.5200000
  1 1 1      19   11   12 o    2.866000      0.3094000       2.969000 0.4541000       2.763000      0.4204000      0.2066000      0.6188000
  1 1 1      19   11   13 o    9.681000      0.1804000       9.471000 0.2568000       9.892000      0.2536000     -0.4209000      0.3609000
  1 1 1      19   11   14 o    9.356000      0.1678000       9.325000 0.2385000       9.388000      0.2361000     -0.6347000E-01  0.3356000
  1 1 1      19   11   15 o    2.059000      0.5024000       2.092000 0.6820000       2.027000      0.7380000      0.6593000E-01   1.005000
  1 1 1      19   11   16 o    5.147000      0.2913000       5.374000 0.3598000       4.919000      0.4583000      0.4547000      0.5827000
  1 1 1      19   11   17 o    5.360000      0.1496000       5.357000 0.2102000       5.363000      0.2130000     -0.6061000E-02  0.2993000
  1 1 1      19   11   18 o    5.032000      0.1502000       5.038000 0.2003000       5.025000      0.2237000      0.1269000E-01  0.3003000
  1 1 1      19   11   19 o    1.258000      0.3596000       1.274000 0.4826000       1.241000      0.5334000      0.3289000E-01  0.7193000
  1 1 1      19   11   20 o    3.775000      0.2948000       3.573000 0.3541000       3.978000      0.4715000     -0.4050000      0.5896000
  1 1 1      19   11   21 o    1.197000      0.3826000       1.015000 0.4716000       1.379000      0.6026000     -0.3634000      0.7653000
  1 1 1      19   11   22 o    4.923000      0.2351000       5.050000 0.3033000       4.796000      0.3594000      0.2532000      0.4703000
  1 1 1      19   11   23 o    7.215000      0.1686000       7.276000 0.2244000       7.154000      0.2517000      0.1224000      0.3372000
  1 1 1      19   11   24 o    3.941000      0.2024000       4.173000 0.2469000       3.708000      0.3208000      0.4651000      0.4048000
  1 1 1      19   11   25 o    1.552000      0.3542000       1.235000 0.4829000       1.869000      0.5183000     -0.6342000      0.7084000
  1 1 1      19   11   26 o    2.333000      0.3210000       2.590000 0.3754000       2.077000      0.5208000      0.5133000      0.6420000
  1 1 1      19   11   27 o    2.320000      0.3277000       2.251000 0.4444000       2.390000      0.4817000     -0.1396000      0.6554000
  1 1 1      19   11   28 o    5.499000      0.1663000       5.295000 0.2329000       5.704000      0.2375000     -0.4093000      0.3326000
  1 1 1      19   11   29 o    5.385000      0.1847000       5.632000 0.2537000       5.139000      0.2685000      0.4936000      0.3694000
  1 1 1      19   11   30 o    2.285000      0.3618000       1.506000 0.5818000       3.065000      0.4303000      -1.559000      0.7237000
  1 1 1      19   11   31 o    1.212000      0.3777000       1.340000 0.5649000       1.084000      0.5015000      0.2562000      0.7554000
  1 1 1      19   11   32 o    2.159000      0.3965000       2.573000 0.4902000       1.744000      0.6232000      0.8284000      0.7929000
  1 1 1      19   12    0 o    3.849000      0.3053000       4.223000 0.4401000       3.476000      0.4233000      0.7468000      0.6107000
  1 1 1      19   12    1 o    4.956000      0.2725000       4.652000 0.4092000       5.260000      0.3599000     -0.6081000      0.5449000
  1 1 1      19   12    2 o    3.585000      0.3240000       3.301000 0.4578000       3.869000      0.4588000     -0.5679000      0.6481000
  1 1 1      19   12    3 o    7.344000      0.2129000       7.411000 0.3062000       7.277000      0.2957000      0.1340000      0.4257000
  1 1 1      19   12    4 o    4.096000      0.2922000       4.310000 0.4147000       3.883000      0.4119000      0.4276000      0.5845000
  1 1 1      19   12    5 o    5.577000      0.2320000       5.927000 0.3226000       5.227000      0.3336000      0.7005000      0.4641000
  1 1 1      19   12    6 o    7.765000      0.2012000       7.452000 0.2854000       8.078000      0.2836000     -0.6259000      0.4024000
  1 1 1      19   12    7 o    5.546000      0.2272000       5.463000 0.3313000       5.630000      0.3109000     -0.1672000      0.4544000
  1 1 1      19   12    8 f    7.712000      0.1993000       7.479000 0.2897000       7.946000      0.2736000     -0.4674000      0.3985000
  1 1 1      19   12    9 o    3.719000      0.2859000       3.844000 0.4003000       3.595000      0.4083000      0.2486000      0.5718000
  1 1 1      19   12   10 o    8.462000      0.1858000       8.452000 0.2653000       8.471000      0.2603000     -0.1988000E-01  0.3717000
  1 1 1      19   12   11 o    2.753000      0.4152000       3.518000 0.5593000       1.989000      0.6139000       1.528000      0.8305000
  1 1 1      19   12   12 o    14.85000      0.3113000       15.14000 0.4541000       14.57000      0.4261000      0.5681000      0.6227000
  1 1 1      19   12   13 o    10.62000      0.2513000       10.88000 0.3721000       10.36000      0.3379000      0.5213000      0.5026000
  1 1 1      19   12   14 o    15.11000      0.2239000       15.12000 0.3161000       15.09000      0.3173000      0.2588000E-01  0.4479000
  1 1 1      19   12   15 o    4.354000      0.1925000       4.577000 0.2775000       4.131000      0.2669000      0.4459000      0.3850000
  1 1 1      19   12   16 o    12.91000      0.1953000       12.70000 0.2717000       13.11000      0.2807000     -0.4190000      0.3907000
  1 1 1      19   12   17 o    5.504000      0.2710000       5.181000 0.3530000       5.828000      0.4112000     -0.6463000      0.5419000
  1 1 1      19   12   18 o    10.81000      0.2612000       10.99000 0.3633000       10.63000      0.3753000      0.3612000      0.5224000
  1 1 1      19   12   19 o    9.999000      0.2527000       9.900000 0.3355000       10.10000      0.3780000     -0.1970000      0.5054000
  1 1 1      19   12   20 o    7.559000      0.2200000       7.335000 0.2566000       7.783000      0.3575000     -0.4478000      0.4401000
  1 1 1      19   12   21 o    3.810000      0.3058000       3.115000 0.4220000       4.505000      0.4428000      -1.390000      0.6117000
  1 1 1      19   12   22 o    1.698000      0.4340000       1.423000 0.5578000       1.973000      0.6651000     -0.5496000      0.8681000
  1 1 1      19   12   23 o    5.578000      0.2215000       5.423000 0.2636000       5.732000      0.3561000     -0.3085000      0.4430000
  1 1 1      19   12   24 o    4.300000      0.2128000       4.386000 0.2666000       4.214000      0.3319000      0.1718000      0.4257000
  1 1 1      19   12   25 o    7.373000      0.1589000       7.554000 0.2146000       7.191000      0.2343000      0.3639000      0.3177000
  1 1 1      19   12   26 o    3.482000      0.2303000       3.429000 0.3207000       3.534000      0.3305000     -0.1054000      0.4605000
  1 1 1      19   12   27 o    2.715000      0.2899000       2.667000 0.4024000       2.762000      0.4173000     -0.9492000E-01  0.5797000
  1 1 1      19   12   28 o    1.785000      0.3942000       1.929000 0.5440000       1.642000      0.5706000      0.2871000      0.7883000
  1 1 1      19   12   29 o    1.583000      0.4088000       1.539000 0.5742000       1.628000      0.5820000     -0.8851000E-01  0.8176000
  1 1 1      19   12   30 o    4.124000      0.2716000       3.789000 0.4249000       4.458000      0.3385000     -0.6690000      0.5433000
  1 1 1      19   12   31 o    2.498000      0.4622000       2.567000 0.7272000       2.428000      0.5705000      0.1385000      0.9243000
  1 1 1      19   12   32 o    3.297000      0.5285000       3.285000 0.7271000       3.309000      0.7671000     -0.2347000E-01   1.057000
  1 1 1      19   13    0 o    3.394000      0.4014000       4.047000 0.4531000       2.740000      0.6628000       1.307000      0.8028000
  1 1 1      19   13    1 f    1.611000      0.4564000       1.829000 0.6839000       1.394000      0.6045000      0.4351000      0.9128000
  1 1 1      19   13    2 o    8.093000      0.2151000       7.933000 0.3132000       8.252000      0.2950000     -0.3183000      0.4303000
  1 1 1      19   13    3 o    5.680000      0.2440000       5.375000 0.3585000       5.985000      0.3313000     -0.6102000      0.4881000
  1 1 1      19   13    4 o    6.409000      0.2240000       6.369000 0.3287000       6.449000      0.3045000     -0.7977000E-01  0.4480000
  1 1 1      19   13    5 o    4.390000      0.2737000       4.170000 0.4182000       4.609000      0.3531000     -0.4387000      0.5474000
  1 1 1      19   13    6 o    5.878000      0.2204000       5.788000 0.3182000       5.968000      0.3049000     -0.1790000      0.4407000
  1 1 1      19   13    7 o    9.394000      0.1959000       9.726000 0.2816000       9.061000      0.2726000      0.6654000      0.3919000
  1 1 1      19   13    8 o    2.702000      0.3989000       2.924000 0.5531000       2.480000      0.5748000      0.4444000      0.7977000
  1 1 1      19   13    9 o    5.546000      0.2153000       5.329000 0.3238000       5.763000      0.2840000     -0.4340000      0.4307000
  1 1 1      19   13   10 o    8.433000      0.1873000       8.229000 0.2630000       8.638000      0.2669000     -0.4083000      0.3747000
  1 1 1      19   13   11 o    5.413000      0.2053000       5.481000 0.3011000       5.344000      0.2790000      0.1362000      0.4105000
  1 1 1      19   13   12 o    13.53000      0.2130000       13.60000 0.3023000       13.46000      0.3002000      0.1490000      0.4260000
  1 1 1      19   13   13 o    7.136000      0.1943000       7.138000 0.2488000       7.134000      0.2987000      0.3960000E-02  0.3887000
  1 1 1      19   13   14 o    16.70000      0.3343000       16.65000 0.4753000       16.74000      0.4703000     -0.9299000E-01  0.6686000
  1 1 1      19   13   15 o    7.931000      0.2089000       7.774000 0.3053000       8.088000      0.2853000     -0.3134000      0.4178000
  1 1 1      19   13   16 o    15.41000      0.3068000       15.91000 0.4477000       14.92000      0.4196000      0.9885000      0.6136000
  1 1 1      19   13   17 o    6.547000      0.1579000       6.710000 0.2153000       6.385000      0.2311000      0.3248000      0.3158000
  1 1 1      19   13   18 o    2.328000      0.3494000       3.011000 0.3479000       1.644000      0.6060000       1.367000      0.6988000
  1 1 1      19   13   19 o    3.909000      0.2928000       4.089000 0.3151000       3.728000      0.4935000      0.3610000      0.5856000
  1 1 1      19   13   20 o    8.748000      0.2396000       8.705000 0.3179000       8.790000      0.3585000     -0.8531000E-01  0.4792000
  1 1 1      19   13   21 o    2.344000      0.4398000       2.556000 0.5295000       2.132000      0.7024000      0.4241000      0.8796000
  1 1 1      19   13   22 o    7.382000      0.2251000       7.300000 0.2944000       7.463000      0.3406000     -0.1626000      0.4502000
  1 1 1      19   13   23 o    5.330000      0.2492000       5.656000 0.3069000       5.004000      0.3928000      0.6529000      0.4985000
  1 1 1      19   13   24 o    6.715000      0.2220000       6.810000 0.2787000       6.620000      0.3456000      0.1900000      0.4440000
  1 1 1      19   13   25 o    6.352000      0.2137000       6.482000 0.2704000       6.222000      0.3310000      0.2603000      0.4274000
  1 1 1      19   13   26 o    2.047000      0.3735000       1.299000 0.5260000       2.796000      0.5304000      -1.497000      0.7469000
  1 1 1      19   13   27 o    7.473000      0.1961000       7.248000 0.2246000       7.698000      0.3216000     -0.4500000      0.3922000
  1 1 1      19   13   28 o    4.658000      0.2580000       4.631000 0.2997000       4.685000      0.4200000     -0.5458000E-01  0.5159000
  1 1 1      19   13   29 o    3.895000      0.3888000       3.895000 0.3888000                  ?              ?              ?              ?
  1 1 1      19   13   30 o    1.446000      0.4258000       1.644000 0.6433000       1.247000      0.5581000      0.3971000      0.8516000
  1 1 1      19   13   31 o    4.607000      0.3119000       4.616000 0.5069000       4.599000      0.3637000      0.1624000E-01  0.6238000
  1 1 1      19   13   32 o    2.546000      0.4531000       2.202000 0.6794000       2.890000      0.5996000     -0.6882000      0.9061000
  1 1 1      19   14    0 o    2.197000      0.4920000       2.237000 0.7204000       2.156000      0.6704000      0.8145000E-01  0.9841000
  1 1 1      19   14    1 o    7.610000      0.2269000       7.433000 0.3271000       7.787000      0.3144000     -0.3539000      0.4537000
  1 1 1      19   14    2 o    10.35000      0.2163000       10.24000 0.3058000       10.45000      0.3059000     -0.2154000      0.4326000
  1 1 1      19   14    3 f    5.784000      0.2489000       5.770000 0.3681000       5.798000      0.3352000     -0.2739000E-01  0.4978000
  1 1 1      19   14    4 o    3.277000      0.3706000       3.368000 0.5441000       3.187000      0.5033000      0.1803000      0.7412000
  1 1 1      19   14    5 o    5.884000      0.2251000       5.711000 0.3243000       6.057000      0.3124000     -0.3468000      0.4502000
  1 1 1      19   14    6 o    6.716000      0.2114000       6.485000 0.3122000       6.946000      0.2852000     -0.4612000      0.4228000
  1 1 1      19   14    7 o    8.963000      0.1978000       9.300000 0.2801000       8.626000      0.2795000      0.6743000      0.3957000
  1 1 1      19   14    8 o    1.892000      0.4247000       2.316000 0.6152000       1.468000      0.5858000      0.8473000      0.8495000
  1 1 1      19   14    9 o    4.708000      0.2473000       4.303000 0.3906000       5.112000      0.3034000     -0.8093000      0.4946000
  1 1 1      19   14   10 o    11.00000      0.1981000       10.68000 0.2806000       11.31000      0.2797000     -0.6341000      0.3962000
  1 1 1      19   14   11 o    12.43000      0.2054000       12.27000 0.2883000       12.59000      0.2926000     -0.3193000      0.4108000
  1 1 1      19   14   12 o    13.37000      0.2108000       13.49000 0.2987000       13.25000      0.2976000      0.2439000      0.4216000
  1 1 1      19   14   13 o    2.530000      0.3535000       2.353000 0.5579000       2.708000      0.4345000     -0.3547000      0.7071000
  1 1 1      19   14   14 o    10.51000      0.1826000       10.59000 0.2576000       10.43000      0.2589000      0.1589000      0.3652000
  1 1 1      19   14   15 o    10.35000      0.1760000       10.34000 0.2487000       10.36000      0.2492000     -0.2473000E-01  0.3521000
  1 1 1      19   14   16 o    2.708000      0.2944000       2.625000 0.4291000       2.791000      0.4032000     -0.1659000      0.5888000
  1 1 1      19   14   17 o    7.908000      0.2097000       7.800000 0.2905000       8.017000      0.3027000     -0.2170000      0.4195000
  1 1 1      19   14   18 o    17.70000      0.3566000       18.11000 0.5055000       17.29000      0.5031000      0.8192000      0.7132000
  1 1 1      19   14   19 o    11.51000      0.3935000       12.06000 0.4348000       10.97000      0.6559000       1.092000      0.7869000
  1 1 1      19   14   20 o    4.110000      0.6929000       5.025000 0.8741000       3.195000       1.075000       1.830000       1.386000
  1 1 1      19   14   21 o    3.379000      0.7041000       2.219000 1.021000       4.540000      0.9693000      -2.321000       1.408000
  1 1 1      19   14   22 o    2.846000      0.7703000       2.750000 1.105000       2.943000       1.073000     -0.1931000       1.541000
  1 1 1      19   14   23 o    1.562000      0.3998000       1.601000 0.5189000       1.524000      0.6085000      0.7696000E-01  0.7997000
  1 1 1      19   14   24 o    1.105000      0.3524000      0.8649000 0.4091000       1.344000      0.5740000     -0.4793000      0.7049000
  1 1 1      19   14   25 o    3.567000      0.2443000       3.776000 0.2883000       3.358000      0.3946000      0.4180000      0.4887000
  1 1 1      19   14   26 o    6.465000      0.2255000       6.548000 0.3737000       6.382000      0.2525000      0.1653000      0.4510000
  1 1 1      19   14   27 o    4.950000      0.2855000       5.433000 0.4398000       4.467000      0.3642000      0.9656000      0.5710000
  1 1 1      19   14   28 o    7.844000      0.2759000       7.759000 0.4000000       7.930000      0.3802000     -0.1712000      0.5518000
  1 1 1      19   14   29 o    2.469000      0.8495000       2.469000 0.8495000                  ?              ?              ?              ?
  1 1 1      19   14   30 o    2.567000      0.5812000       2.835000 0.8828000       2.300000      0.7563000      0.5349000       1.162000
  1 1 1      19   14   31 o    1.913000      0.7365000                  ?       ?   1.913000      0.7365000                  ?              ?
  1 1 1      19   14   32 o    2.159000      0.5545000       1.712000 0.7509000       2.605000      0.8160000     -0.8924000       1.109000
  1 1 1      19   15    0 o    7.081000      0.2372000       6.789000 0.3470000       7.372000      0.3236000     -0.5825000      0.4745000
  1 1 1      19   15    1 o    2.492000      0.6957000       2.492000 0.6957000                  ?              ?              ?              ?
  1 1 1      19   15    2 o    5.161000      0.2668000       5.073000 0.3848000       5.249000      0.3696000     -0.1755000      0.5335000
  1 1 1      19   15    3 o    3.572000      0.4876000                  ?       ?   3.572000      0.4876000                  ?              ?
  1 1 1      19   15    4 o    9.468000      0.2083000       9.502000 0.3002000       9.434000      0.2888000      0.6830000E-01  0.4166000
  1 1 1      19   15    5 o    10.35000      0.2090000       10.27000 0.2950000       10.42000      0.2961000     -0.1508000      0.4180000
  1 1 1      19   15    6 o    3.776000      0.3081000       3.642000 0.4640000       3.910000      0.4054000     -0.2681000      0.6161000
  1 1 1      19   15    7 o    3.156000      0.3450000       3.095000 0.5094000       3.218000      0.4654000     -0.1232000      0.6901000
  1 1 1      19   15    8 o    6.886000      0.2061000       6.993000 0.2972000       6.778000      0.2856000      0.2154000      0.4122000
  1 1 1      19   15    9 o    4.600000      0.2418000       4.586000 0.3514000       4.613000      0.3323000     -0.2745000E-01  0.4836000
  1 1 1      19   15   10 o    7.252000      0.1900000       7.409000 0.2688000       7.095000      0.2686000      0.3133000      0.3800000
  1 1 1      19   15   11 o    9.850000      0.1881000       10.24000 0.2705000       9.456000      0.2614000      0.7880000      0.3762000
  1 1 1      19   15   12 o    7.242000      0.1806000       7.512000 0.2624000       6.972000      0.2482000      0.5400000      0.3612000
  1 1 1      19   15   13 o    13.05000      0.2053000       13.25000 0.2918000       12.85000      0.2888000      0.4010000      0.4106000
  1 1 1      19   15   14 o    5.765000      0.1771000       5.856000 0.2520000       5.674000      0.2489000      0.1822000      0.3542000
  1 1 1      19   15   15 o    7.810000      0.1653000       7.847000 0.2320000       7.773000      0.2356000      0.7323000E-01  0.3307000
  1 1 1      19   15   16 o    4.081000      0.2086000       4.075000 0.2942000       4.087000      0.2959000     -0.1174000E-01  0.4173000
  1 1 1      19   15   17 o    4.018000      0.2480000       4.049000 0.3098000       3.988000      0.3873000      0.6100000E-01  0.4960000
  1 1 1      19   15   18 o    14.41000      0.2224000       14.64000 0.3078000       14.18000      0.3212000      0.4614000      0.4448000
  1 1 1      19   15   19 o    9.813000      0.2194000       10.09000 0.2818000       9.536000      0.3363000      0.5556000      0.4387000
  1 1 1      19   15   20 o    3.815000      0.3392000       4.098000 0.3989000       3.532000      0.5486000      0.5669000      0.6783000
  1 1 1      19   15   21 o    3.925000      0.3063000       3.764000 0.3837000       4.086000      0.4775000     -0.3216000      0.6126000
  1 1 1      19   15   22 o    4.425000      0.2753000       4.546000 0.3347000       4.303000      0.4372000      0.2437000      0.5506000
  1 1 1      19   15   23 o    2.135000      0.3971000       2.721000 0.4774000       1.549000      0.6348000       1.172000      0.7943000
  1 1 1      19   15   24 o    2.010000      0.4080000       2.332000 0.5155000       1.689000      0.6327000      0.6436000      0.8161000
  1 1 1      19   15   25 o    4.951000      0.2237000       5.265000 0.2795000       4.637000      0.3494000      0.6290000      0.4474000
  1 1 1      19   15   26 o    7.792000      0.1768000       7.963000 0.2461000       7.621000      0.2538000      0.3415000      0.3535000
  1 1 1      19   15   27 o    5.005000      0.2116000       4.735000 0.3055000       5.275000      0.2929000     -0.5403000      0.4232000
  1 1 1      19   15   28 o    4.330000      0.2707000       4.472000 0.3747000       4.189000      0.3908000      0.2829000      0.5414000
  1 1 1      19   15   29 o    2.403000      0.4707000       2.745000 0.6326000       2.061000      0.6973000      0.6840000      0.9415000
  1 1 1      19   15   30 o    2.029000      0.4999000       1.962000 0.7095000       2.095000      0.7044000     -0.1336000      0.9998000
  1 1 1      19   15   31 o    2.915000      0.5221000       2.695000 0.8305000       3.135000      0.6330000     -0.4391000       1.044000
  1 1 1      19   15   32 o    3.623000      0.4261000       2.513000 0.7225000       4.734000      0.4520000      -2.221000      0.8522000
  1 1 1      19   16    0 o    12.87000      0.3424000       13.10000 0.4687000       12.64000      0.4992000      0.4636000      0.6848000
  1 1 1      19   16    1 o    6.762000      0.3366000       6.762000 0.3366000                  ?              ?              ?              ?
  1 1 1      19   16    2 o    5.834000      0.2515000       5.927000 0.3542000       5.740000      0.3570000      0.1870000      0.5029000
  1 1 1      19   16    3 o    8.669000      0.3038000                  ?       ?   8.669000      0.3038000                  ?              ?
  1 1 1      19   16    4 o    12.22000      0.2208000       12.52000 0.3169000       11.92000      0.3076000      0.6050000      0.4416000
  1 1 1      19   16    5 o    6.937000      0.2135000       7.157000 0.3088000       6.717000      0.2950000      0.4406000      0.4271000
  1 1 1      19   16    6 o    5.232000      0.2414000       5.497000 0.3396000       4.967000      0.3432000      0.5296000      0.4828000
  1 1 1      19   16    7 o    13.24000      0.2220000       13.01000 0.3112000       13.48000      0.3167000     -0.4657000      0.4440000
  1 1 1      19   16    8 o    8.366000      0.1959000       8.249000 0.2778000       8.484000      0.2762000     -0.2357000      0.3918000
  1 1 1      19   16    9 o    6.531000      0.2027000       6.481000 0.2923000       6.581000      0.2808000     -0.1002000      0.4053000
  1 1 1      19   16   10 o    5.390000      0.2212000       5.396000 0.3272000       5.383000      0.2978000      0.1341000E-01  0.4424000
  1 1 1      19   16   11 o    4.927000      0.2256000       4.786000 0.3360000       5.069000      0.3010000     -0.2831000      0.4511000
  1 1 1      19   16   12 o    8.952000      0.2054000       9.135000 0.2590000       8.768000      0.3188000      0.3671000      0.4108000
  1 1 1      19   16   13 o    7.804000      0.1750000       8.046000 0.2428000       7.563000      0.2521000      0.4828000      0.3500000
  1 1 1      19   16   14 o    13.03000      0.2033000       12.91000 0.2844000       13.15000      0.2906000     -0.2343000      0.4066000
  1 1 1      19   16   15 o    6.598000      0.1707000       6.674000 0.2312000       6.522000      0.2511000      0.1514000      0.3413000
  1 1 1      19   16   16 o    5.196000      0.1891000       5.103000 0.2542000       5.290000      0.2801000     -0.1871000      0.3782000
  1 1 1      19   16   17 o    10.72000      0.1901000       10.76000 0.2556000       10.68000      0.2816000      0.8009000E-01  0.3803000
  1 1 1      19   16   18 o    5.845000      0.2468000       5.851000 0.2962000       5.840000      0.3949000      0.1084000E-01  0.4937000
  1 1 1      19   16   19 o    3.400000      0.3883000       3.421000 0.4579000       3.380000      0.6272000      0.4047000E-01  0.7765000
  1 1 1      19   16   20 o    3.571000      0.3720000       3.233000 0.5112000       3.909000      0.5407000     -0.6758000      0.7440000
  1 1 1      19   16   21 o    8.132000      0.2469000       8.135000 0.3256000       8.130000      0.3714000      0.5033000E-02  0.4939000
  1 1 1      19   16   22 o    2.724000      0.4112000       2.739000 0.5349000       2.710000      0.6245000      0.2908000E-01  0.8223000
  1 1 1      19   16   23 f    6.907000      0.2246000       7.019000 0.2863000       6.795000      0.3463000      0.2244000      0.4493000
  1 1 1      19   16   24 o    7.144000      0.2070000       7.282000 0.2747000       7.007000      0.3098000      0.2753000      0.4141000
  1 1 1      19   16   25 f    3.199000      0.3432000       2.953000 0.4953000       3.445000      0.4751000     -0.4916000      0.6864000
  1 1 1      19   16   26 o    4.025000      0.2676000       4.164000 0.3589000       3.886000      0.3971000      0.2784000      0.5353000
  1 1 1      19   16   27 o    1.963000      0.3747000       2.839000 0.5424000       1.088000      0.5171000       1.751000      0.7494000
  1 1 1      19   16   28 o    2.229000      0.4828000       2.211000 0.6766000       2.246000      0.6889000     -0.3534000E-01  0.9656000
  1 1 1      19   16   29 o    5.597000      0.2535000       5.785000 0.3532000       5.409000      0.3636000      0.3752000      0.5070000
  1 1 1      19   16   30 o    2.164000      0.5203000       2.468000 0.7392000       1.859000      0.7323000      0.6088000       1.041000
  1 1 1      19   16   31 o    3.105000      0.4618000       3.080000 0.6529000       3.130000      0.6533000     -0.5018000E-01  0.9236000
  1 1 1      19   17    0 o    5.198000      0.4681000       5.556000 0.5537000       4.840000      0.7549000      0.7160000      0.9362000
  1 1 1      19   17    1 o    2.865000      0.6278000       2.811000 0.8341000       2.920000      0.9385000     -0.1090000       1.256000
  1 1 1      19   17    2 o    12.01000      0.2263000       11.86000 0.3224000       12.16000      0.3177000     -0.3011000      0.4526000
  1 1 1      19   17    3 f    6.618000      0.2282000       6.509000 0.3251000       6.726000      0.3202000     -0.2171000      0.4564000
  1 1 1      19   17    4 o    7.905000      0.2182000       7.911000 0.3165000       7.898000      0.3003000      0.1274000E-01  0.4363000
  1 1 1      19   17    5 o    3.970000      0.3264000       4.512000 0.4241000       3.427000      0.4964000       1.085000      0.6529000
  1 1 1      19   17    6 o    5.881000      0.2282000       5.634000 0.3405000       6.128000      0.3039000     -0.4937000      0.4564000
  1 1 1      19   17    7 o    11.24000      0.2068000       11.17000 0.2911000       11.30000      0.2938000     -0.1311000      0.4136000
  1 1 1      19   17    8 o    6.002000      0.2186000       6.158000 0.3015000       5.846000      0.3166000      0.3116000      0.4372000
  1 1 1      19   17    9 o    5.962000      0.2141000       5.855000 0.3233000       6.068000      0.2806000     -0.2128000      0.4281000
  1 1 1      19   17   10 o    1.836000      0.4274000       1.634000 0.6267000       2.039000      0.5814000     -0.4056000      0.8549000
  1 1 1      19   17   11 o    8.342000      0.1825000       8.312000 0.2616000       8.373000      0.2547000     -0.6109000E-01  0.3651000
  1 1 1      19   17   12 o    6.214000      0.1864000       6.050000 0.2660000       6.378000      0.2612000     -0.3278000      0.3728000
  1 1 1      19   17   13 o    5.865000      0.1859000       5.897000 0.2631000       5.833000      0.2626000      0.6402000E-01  0.3717000
  1 1 1      19   17   14 o    12.13000      0.1973000       12.09000 0.2743000       12.17000      0.2837000     -0.7516000E-01  0.3946000
  1 1 1      19   17   15 o    1.761000      0.4033000       1.920000 0.5499000       1.602000      0.5902000      0.3178000      0.8067000
  1 1 1      19   17   16 o    3.776000      0.2782000       3.588000 0.3729000       3.964000      0.4129000     -0.3755000      0.5564000
  1 1 1      19   17   17 o    10.45000      0.2407000       10.23000 0.2581000       10.67000      0.4064000     -0.4393000      0.4814000
  1 1 1      19   17   18 o    5.192000      0.2876000       5.208000 0.3343000       5.176000      0.4680000      0.3173000E-01  0.5751000
  1 1 1      19   17   19 o    5.807000      0.2622000       5.625000 0.3238000       5.989000      0.4125000     -0.3638000      0.5244000
  1 1 1      19   17   20 o    4.201000      0.3336000       3.947000 0.4341000       4.454000      0.5067000     -0.5067000      0.6672000
  1 1 1      19   17   21 o    4.059000      0.3165000       3.862000 0.4107000       4.256000      0.4817000     -0.3940000      0.6330000
  1 1 1      19   17   22 o    1.284000      0.4154000       1.182000 0.5415000       1.385000      0.6301000     -0.2032000      0.8308000
  1 1 1      19   17   23 o    6.135000      0.2527000       5.645000 0.3288000       6.626000      0.3839000     -0.9808000      0.5055000
  1 1 1      19   17   24 o    3.742000      0.3551000       3.291000 0.4987000       4.194000      0.5056000     -0.9032000      0.7102000
  1 1 1      19   17   25 o    1.342000      0.4150000       1.448000 0.6052000       1.237000      0.5680000      0.2107000      0.8300000
  1 1 1      19   17   26 o    2.664000      0.4512000       2.390000 0.6962000       2.938000      0.5742000     -0.5474000      0.9024000
  1 1 1      19   17   27 o    2.746000      0.4687000       2.802000 0.6643000       2.690000      0.6615000      0.1125000      0.9374000
  1 1 1      19   17   28 o    2.005000      0.4914000       2.355000 0.7092000       1.656000      0.6805000      0.6995000      0.9829000
  1 1 1      19   17   29 o    6.586000      0.2501000       6.551000 0.3623000       6.621000      0.3450000     -0.6934000E-01  0.5003000
  1 1 1      19   17   30 o    1.799000      0.4927000       2.331000 0.7793000       1.267000      0.6031000       1.064000      0.9854000
  1 1 1      19   17   31 o    2.145000      0.5514000       1.901000 0.7643000       2.389000      0.7950000     -0.4871000       1.103000
  1 1 1      19   18    0 o    3.765000      0.3926000       3.057000 0.6301000       4.473000      0.4683000      -1.417000      0.7851000
  1 1 1      19   18    1 o    1.718000      0.4643000       2.131000 0.7080000       1.305000      0.6008000      0.8262000      0.9286000
  1 1 1      19   18    2 o    8.713000      0.3379000       8.557000 0.4586000       8.868000      0.4963000     -0.3107000      0.6758000
  1 1 1      19   18    3 o    1.755000      0.5465000       1.419000 0.6622000       2.090000      0.8696000     -0.6711000       1.093000
  1 1 1      19   18    4 o    6.278000      0.2450000       6.349000 0.3666000       6.206000      0.3252000      0.1437000      0.4901000
  1 1 1      19   18    5 o    2.593000      0.4488000       2.105000 0.7155000       3.081000      0.5420000     -0.9758000      0.8976000
  1 1 1      19   18    6 o    6.071000      0.2295000       5.709000 0.3416000       6.432000      0.3066000     -0.7231000      0.4591000
  1 1 1      19   18    7 o    3.771000      0.3131000       3.895000 0.4500000       3.646000      0.4353000      0.2484000      0.6261000
  1 1 1      19   18    8 f    5.452000      0.2277000       5.615000 0.3239000       5.289000      0.3201000      0.3254000      0.4554000
  1 1 1      19   18    9 f    2.779000      0.4050000       2.136000 0.6416000       3.423000      0.4943000      -1.287000      0.8099000
  1 1 1      19   18   10 o    3.059000      0.3352000       2.949000 0.5037000       3.169000      0.4425000     -0.2208000      0.6704000
  1 1 1      19   18   11 o    5.364000      0.2014000       5.266000 0.2897000       5.462000      0.2798000     -0.1970000      0.4028000
  1 1 1      19   18   12 o    5.300000      0.2001000       4.933000 0.2945000       5.668000      0.2709000     -0.7349000      0.4001000
  1 1 1      19   18   13 o    3.610000      0.2612000       3.352000 0.4013000       3.868000      0.3345000     -0.5162000      0.5225000
  1 1 1      19   18   14 o    3.126000      0.3015000       2.843000 0.4479000       3.409000      0.4036000     -0.5662000      0.6029000
  1 1 1      19   18   15 o    11.07000      0.1900000       10.99000 0.2608000       11.15000      0.2764000     -0.1633000      0.3800000
  1 1 1      19   18   16 o    11.75000      0.2027000       11.63000 0.2737000       11.87000      0.2989000     -0.2417000      0.4053000
  1 1 1      19   18   17 o    5.047000      0.2682000       5.546000 0.2952000       4.547000      0.4478000      0.9991000      0.5364000
  1 1 1      19   18   18 o    4.478000      0.3334000       4.486000 0.3832000       4.471000      0.5457000      0.1512000E-01  0.6668000
  1 1 1      19   18   19 o    4.941000      0.2951000       4.954000 0.3511000       4.927000      0.4744000      0.2691000E-01  0.5902000
  1 1 1      19   18   20 o    5.915000      0.2645000       5.903000 0.3319000       5.926000      0.4118000     -0.2285000E-01  0.5289000
  1 1 1      19   18   21 o    2.533000      0.4744000       2.505000 0.6218000       2.561000      0.7167000     -0.5603000E-01  0.9489000
  1 1 1      19   18   22 o    2.700000      0.4586000       1.916000 0.6743000       3.483000      0.6217000      -1.566000      0.9172000
  1 1 1      19   18   23 o    4.145000      0.3313000       3.754000 0.4555000       4.536000      0.4813000     -0.7819000      0.6627000
  1 1 1      19   18   24 o    1.826000      0.4793000       1.294000 0.5832000       2.358000      0.7606000      -1.065000      0.9585000
  1 1 1      19   18   25 o    3.096000      0.4385000       2.852000 0.6371000       3.341000      0.6028000     -0.4889000      0.8771000
  1 1 1      19   18   26 o    5.278000      0.2797000       5.258000 0.3980000       5.298000      0.3931000     -0.3983000E-01  0.5595000
  1 1 1      19   18   27 f    2.973000      0.4686000       3.303000 0.6219000       2.643000      0.7011000      0.6596000      0.9372000
  1 1 1      19   18   28 o    4.392000      0.3531000       3.946000 0.5415000       4.839000      0.4534000     -0.8937000      0.7062000
  1 1 1      19   18   29 o    6.348000      0.2763000       5.876000 0.4062000       6.821000      0.3745000     -0.9454000      0.5525000
  1 1 1      19   18   30 o    1.967000      0.7805000       1.967000 0.7805000                  ?              ?              ?              ?
  1 1 1      19   18   31 o    1.782000      0.5327000       2.017000 0.8032000       1.548000      0.7000000      0.4685000       1.065000
  1 1 1      19   19    0 o    2.986000      0.5515000       2.676000 0.8422000       3.295000      0.7123000     -0.6193000       1.103000
  1 1 1      19   19    1 o    1.732000      0.4763000       1.391000 0.6220000       2.073000      0.7214000     -0.6825000      0.9525000
  1 1 1      19   19    2 o    5.445000      0.2564000       5.544000 0.3697000       5.345000      0.3555000      0.1992000      0.5129000
  1 1 1      19   19    3 o    13.77000      0.2390000       13.77000 0.3371000       13.77000      0.3390000      0.4267000E-02  0.4781000
  1 1 1      19   19    4 o    11.41000      0.3292000       10.90000 0.4475000       11.91000      0.4829000      -1.011000      0.6584000
  1 1 1      19   19    5 o    5.480000      0.4198000       5.726000 0.5009000       5.233000      0.6739000      0.4930000      0.8397000
  1 1 1      19   19    6 o    7.874000      0.3478000       8.423000 0.4350000       7.326000      0.5428000       1.096000      0.6956000
  1 1 1      19   19    7 f    2.110000      0.4785000       1.970000 0.6971000       2.249000      0.6558000     -0.2792000      0.9571000
  1 1 1      19   19    8 o    5.139000      0.2414000       4.932000 0.3598000       5.345000      0.3219000     -0.4132000      0.4828000
  1 1 1      19   19    9 o    10.73000      0.1999000       10.74000 0.2842000       10.73000      0.2811000      0.7532000E-02  0.3998000
  1 1 1      19   19   10 o    3.344000      0.3251000       3.006000 0.5210000       3.683000      0.3890000     -0.6766000      0.6502000
  1 1 1      19   19   11 o    1.986000      0.4285000       1.940000 0.6248000       2.032000      0.5864000     -0.9293000E-01  0.8569000
  1 1 1      19   19   12 o    4.515000      0.2304000       4.334000 0.3449000       4.696000      0.3057000     -0.3624000      0.4609000
  1 1 1      19   19   13 o    11.24000      0.1947000       11.05000 0.2694000       11.43000      0.2812000     -0.3754000      0.3894000
  1 1 1      19   19   14 o    7.693000      0.1831000       7.710000 0.2500000       7.677000      0.2676000      0.3299000E-01  0.3662000
  1 1 1      19   19   15 o    19.14000      0.2759000       19.14000 0.3858000       19.15000      0.3944000     -0.4923000E-02  0.5518000
  1 1 1      19   19   16 o    9.701000      0.2370000       9.645000 0.3733000       9.757000      0.2921000     -0.1120000      0.4740000
  1 1 1      19   19   17 f    5.219000      0.3004000       5.769000 0.3165000       4.669000      0.5107000       1.100000      0.6008000
  1 1 1      19   19   18 o    6.600000      0.2681000       6.509000 0.3063000       6.690000      0.4402000     -0.1809000      0.5363000
  1 1 1      19   19   19 o    4.217000      0.3417000       4.421000 0.3958000       4.014000      0.5571000      0.4064000      0.6834000
  1 1 1      19   19   20 o    2.588000      0.4715000       3.031000 0.5464000       2.145000      0.7685000      0.8860000      0.9430000
  1 1 1      19   19   21 o    5.357000      0.2812000       5.554000 0.3531000       5.160000      0.4377000      0.3934000      0.5623000
  1 1 1      19   19   22 o    4.456000      0.3395000       4.499000 0.4470000       4.413000      0.5112000      0.8532000E-01  0.6790000
  1 1 1      19   19   23 o    3.295000      0.4475000       3.186000 0.5880000       3.404000      0.6749000     -0.2178000      0.8950000
  1 1 1      19   19   24 o    2.467000      0.5003000       1.951000 0.6912000       2.983000      0.7235000      -1.032000       1.001000
  1 1 1      19   19   25 o    3.546000      0.4089000       3.813000 0.5105000       3.278000      0.6389000      0.5349000      0.8178000
  1 1 1      19   19   26 o    2.421000      0.5393000       2.285000 0.7570000       2.556000      0.7682000     -0.2711000       1.079000
  1 1 1      19   19   27 o    3.548000      0.4301000       3.116000 0.6732000       3.980000      0.5354000     -0.8637000      0.8601000
  1 1 1      19   19   28 o    1.882000      0.5350000       1.651000 0.7292000       2.112000      0.7831000     -0.4612000       1.070000
  1 1 1      19   19   29 o    2.118000      0.5044000       1.382000 0.6451000       2.854000      0.7755000      -1.472000       1.009000
  1 1 1      19   19   30 o    1.856000      0.7716000       1.856000 0.7716000                  ?              ?              ?              ?
  1 1 1      19   20    0 f    8.464000      0.2365000       8.222000 0.3529000       8.706000      0.3150000     -0.4840000      0.4731000
  1 1 1      19   20    1 o    3.345000      0.5236000       4.630000 0.7532000       2.060000      0.7276000       2.570000       1.047000
  1 1 1      19   20    2 o    6.199000      0.5936000       6.199000 0.5936000                  ?              ?              ?              ?
  1 1 1      19   20    3 o    10.64000      0.2714000       11.27000 0.4529000       10.01000      0.2992000       1.266000      0.5428000
  1 1 1      19   20    4 o    11.30000      0.3108000                  ?       ?   11.30000      0.3108000                  ?              ?
  1 1 1      19   20    5 o    7.658000      0.2223000       7.813000 0.3266000       7.503000      0.3018000      0.3095000      0.4447000
  1 1 1      19   20    6 o    9.580000      0.2123000       9.933000 0.2981000       9.227000      0.3022000      0.7062000      0.4245000
  1 1 1      19   20    7 o    2.956000      0.5927000       3.398000 0.7270000       2.514000      0.9363000      0.8838000       1.185000
  1 1 1      19   20    8 o    6.143000      0.3676000       6.072000 0.4672000       6.214000      0.5678000     -0.1421000      0.7353000
  1 1 1      19   20    9 o    2.622000      0.5885000       1.927000 0.7676000       3.316000      0.8923000      -1.389000       1.177000
  1 1 1      19   20   10 o    9.882000      0.3049000       9.857000 0.3990000       9.907000      0.4611000     -0.5093000E-01  0.6098000
  1 1 1      19   20   11 o    5.023000      0.2242000       4.920000 0.3228000       5.126000      0.3114000     -0.2065000      0.4485000
  1 1 1      19   20   12 o    5.722000      0.2127000       5.355000 0.3180000       6.090000      0.2826000     -0.7345000      0.4254000
  1 1 1      19   20   13 o    15.83000      0.2390000       16.07000 0.3394000       15.60000      0.3365000      0.4676000      0.4779000
  1 1 1      19   20   14 o    7.639000      0.1923000       7.961000 0.2559000       7.318000      0.2872000      0.6424000      0.3847000
  1 1 1      19   20   15 o    2.293000      0.4553000       2.707000 0.5767000       1.879000      0.7047000      0.8283000      0.9106000
  1 1 1      19   20   16 o    6.785000      0.2266000       6.734000 0.2867000       6.835000      0.3511000     -0.1010000      0.4533000
  1 1 1      19   20   17 o    5.513000      0.3014000       5.657000 0.3467000       5.369000      0.4931000      0.2875000      0.6028000
  1 1 1      19   20   18 o    4.798000      0.3214000       5.060000 0.3707000       4.536000      0.5251000      0.5237000      0.6428000
  1 1 1      19   20   19 o    3.341000      0.4258000       3.362000 0.4974000       3.320000      0.6913000      0.4208000E-01  0.8516000
  1 1 1      19   20   20 o    5.793000      0.2951000       5.852000 0.3718000       5.735000      0.4583000      0.1167000      0.5902000
  1 1 1      19   20   21 o    2.111000      0.5171000       1.579000 0.6714000       2.643000      0.7867000      -1.064000       1.034000
  1 1 1      19   20   22 o    2.889000      0.5026000       3.370000 0.6080000       2.408000      0.8005000      0.9620000       1.005000
  1 1 1      19   20   23 o    4.763000      0.3508000       5.185000 0.3976000       4.341000      0.5779000      0.8445000      0.7015000
  1 1 1      19   20   24 o    4.194000      0.4110000       4.596000 0.5029000       3.792000      0.6502000      0.8039000      0.8220000
  1 1 1      19   20   25 o    1.837000      0.5127000       1.463000 0.6563000       2.211000      0.7880000     -0.7485000       1.025000
  1 1 1      19   20   26 o    2.215000      0.5484000       2.664000 0.8047000       1.767000      0.7451000      0.8970000       1.097000
  1 1 1      19   20   27 o    2.791000      0.5150000       3.689000 0.6761000       1.893000      0.7770000       1.795000       1.030000
  1 1 1      19   20   28 o    2.493000      0.5833000       1.962000 0.8005000       3.023000      0.8486000      -1.061000       1.167000
  1 1 1      19   20   29 o    1.764000      0.5341000       1.646000 0.7323000       1.881000      0.7778000     -0.2348000       1.068000
  1 1 1      19   20   30 o    3.097000      0.5799000       3.650000 0.7670000       2.545000      0.8700000       1.105000       1.160000
  1 1 1      19   21    0 o    3.844000      0.3911000       3.708000 0.5878000       3.980000      0.5159000     -0.2716000      0.7821000
  1 1 1      19   21    1 o    4.919000      0.2932000       4.937000 0.4280000       4.901000      0.4007000      0.3592000E-01  0.5863000
  1 1 1      19   21    2 o    2.577000      0.7340000       2.577000 0.7340000                  ?              ?              ?              ?
  1 1 1      19   21    3 o    3.844000      0.4100000       4.480000 0.4731000       3.207000      0.6698000       1.274000      0.8200000
  1 1 1      19   21    4 o    8.912000      0.3806000                  ?       ?   8.912000      0.3806000                  ?              ?
  1 1 1      19   21    5 f    7.191000      0.3137000       6.615000 0.5065000       7.767000      0.3700000      -1.152000      0.6273000
  1 1 1      19   21    6 o    2.758000      0.4816000       2.685000 0.7945000       2.831000      0.5445000     -0.1455000      0.9632000
  1 1 1      19   21    7 o    4.855000      0.2558000       4.591000 0.3994000       5.120000      0.3198000     -0.5290000      0.5117000
  1 1 1      19   21    8 o    1.642000      0.4460000       1.844000 0.6622000       1.440000      0.5975000      0.4032000      0.8920000
  1 1 1      19   21    9 o    5.071000      0.2380000       5.112000 0.3447000       5.030000      0.3283000      0.8233000E-01  0.4760000
  1 1 1      19   21   10 f    5.687000      0.2196000       5.588000 0.3293000       5.787000      0.2906000     -0.1997000      0.4392000
  1 1 1      19   21   11 o    6.150000      0.3601000       6.013000 0.4500000       6.286000      0.5623000     -0.2729000      0.7202000
  1 1 1      19   21   12 o    11.90000      0.3117000       12.00000 0.4194000       11.80000      0.4611000      0.2032000      0.6233000
  1 1 1      19   21   13 o    10.31000      0.2988000       9.890000 0.4027000       10.73000      0.4414000     -0.8389000      0.5975000
  1 1 1      19   21   14 o    3.715000      0.4917000       3.793000 0.6063000       3.636000      0.7742000      0.1570000      0.9834000
  1 1 1      19   21   15 o    5.781000      0.3517000       6.086000 0.4131000       5.477000      0.5692000      0.6091000      0.7033000
  1 1 1      19   21   16 o    2.601000      0.5333000       2.925000 0.6429000       2.277000      0.8509000      0.6488000       1.067000
  1 1 1      19   21   17 o    7.166000      0.2836000       6.946000 0.3654000       7.387000      0.4339000     -0.4406000      0.5673000
  1 1 1      19   21   18 o    5.206000      0.3372000       4.425000 0.4667000       5.987000      0.4868000      -1.562000      0.6743000
  1 1 1      19   21   19 o    6.122000      0.2911000       5.797000 0.3616000       6.446000      0.4562000     -0.6490000      0.5822000
  1 1 1      19   21   20 o    3.040000      0.5012000       3.532000 0.5588000       2.547000      0.8323000      0.9849000       1.002000
  1 1 1      19   21   21 o    4.726000      0.3757000       5.145000 0.4623000       4.307000      0.5924000      0.8379000      0.7515000
  1 1 1      19   21   22 f    6.261000      0.3029000       6.197000 0.3713000       6.326000      0.4788000     -0.1295000      0.6059000
  1 1 1      19   21   23 o    6.993000      0.3101000       6.960000 0.4275000       7.025000      0.4495000     -0.6440000E-01  0.6203000
  1 1 1      19   21   24 o    5.993000      0.3591000       5.839000 0.5157000       6.147000      0.4999000     -0.3075000      0.7182000
  1 1 1      19   21   25 o    3.778000      0.5937000       3.194000 0.8996000       4.362000      0.7749000      -1.168000       1.187000
  1 1 1      19   21   26 o    2.122000      0.6313000       1.982000 0.8465000       2.262000      0.9367000     -0.2799000       1.263000
  1 1 1      19   21   27 o    2.355000      0.6672000       2.383000 0.9355000       2.328000      0.9515000      0.5542000E-01   1.334000
  1 1 1      19   21   28 o    2.662000      0.7001000       2.205000 0.9040000       3.119000       1.069000     -0.9144000       1.400000
  1 1 1      19   21   29 o    3.368000      0.7139000       2.414000 0.9709000       4.323000       1.047000      -1.909000       1.428000
  1 1 1      19   22    0 o    4.849000      0.3198000       4.889000 0.4591000       4.809000      0.4454000      0.7970000E-01  0.6396000
  1 1 1      19   22    1 o    11.88000      0.2309000       11.89000 0.3250000       11.86000      0.3281000      0.2246000E-01  0.4618000
  1 1 1      19   22    2 o    2.089000      0.4770000       2.787000 0.7234000       1.392000      0.6221000       1.395000      0.9541000
  1 1 1      19   22    3 o    3.384000      0.4196000       3.082000 0.6757000       3.687000      0.4978000     -0.6053000      0.8393000
  1 1 1      19   22    4 o    4.951000      0.3029000       4.551000 0.4701000       5.351000      0.3822000     -0.8005000      0.6058000
  1 1 1      19   22    5 o    7.401000      0.2263000       7.553000 0.3230000       7.250000      0.3170000      0.3035000      0.4525000
  1 1 1      19   22    6 o    4.365000      0.3059000       4.068000 0.4793000       4.661000      0.3801000     -0.5927000      0.6117000
  1 1 1      19   22    7 o    2.252000      0.4672000       1.586000 0.7073000       2.919000      0.6104000      -1.334000      0.9343000
  1 1 1      19   22    8 o    2.108000      0.5161000       2.168000 0.7886000       2.049000      0.6662000      0.1181000       1.032000
  1 1 1      19   22    9 o    4.113000      0.3861000       3.410000 0.6683000       4.817000      0.3870000      -1.407000      0.7723000
  1 1 1      19   22   10 o    1.483000      0.4458000       2.052000 0.7690000      0.9140000      0.4511000       1.138000      0.8916000
  1 1 1      19   22   11 o    1.886000      0.4417000       2.090000 0.6244000       1.681000      0.6249000      0.4096000      0.8833000
  1 1 1      19   22   12 o    1.101000      0.3633000      0.9918000 0.4814000       1.210000      0.5442000     -0.2186000      0.7266000
  1 1 1      19   22   13 o    4.416000      0.2799000       4.189000 0.4013000       4.644000      0.3902000     -0.4554000      0.5597000
  1 1 1      19   22   14 o    9.177000      0.2099000       9.015000 0.2805000       9.338000      0.3124000     -0.3233000      0.4198000
  1 1 1      19   22   15 o    8.944000      0.2217000       9.353000 0.2838000       8.536000      0.3408000      0.8164000      0.4435000
  1 1 1      19   22   16 o    8.044000      0.2587000       8.221000 0.3137000       7.867000      0.4114000      0.3542000      0.5174000
  1 1 1      19   22   17 o    9.857000      0.2662000       9.884000 0.3152000       9.829000      0.4291000      0.5559000E-01  0.5324000
  1 1 1      19   22   18 o    8.618000      0.2792000       8.520000 0.3709000       8.715000      0.4176000     -0.1951000      0.5585000
  1 1 1      19   22   19 o    3.560000      0.4587000       3.445000 0.6042000       3.675000      0.6905000     -0.2293000      0.9175000
  1 1 1      19   22   20 o    3.368000      0.4914000       3.823000 0.5776000       2.914000      0.7951000      0.9086000      0.9828000
  1 1 1      19   22   21 o    2.283000      0.5623000       2.358000 0.7613000       2.207000      0.8278000      0.1505000       1.125000
  1 1 1      19   22   22 o    2.301000      0.5713000       2.466000 0.7813000       2.135000      0.8337000      0.3308000       1.143000
  1 1 1      19   22   23 o    3.132000      0.6248000       2.287000 1.038000       3.977000      0.6962000      -1.690000       1.250000
  1 1 1      19   22   24 f    1.997000      0.5733000       1.847000 0.7820000       2.148000      0.8385000     -0.3004000       1.147000
  1 1 1      19   22   25 o    1.839000      0.5582000       1.816000 0.7837000       1.862000      0.7950000     -0.4582000E-01   1.116000
  1 1 1      19   22   26 o    2.357000      0.6038000       1.979000 0.8065000       2.735000      0.8989000     -0.7561000       1.208000
  1 1 1      19   22   27 o    2.632000      0.6158000       2.204000 0.8565000       3.060000      0.8849000     -0.8554000       1.232000
  1 1 1      19   22   28 o    1.967000      0.5571000       1.350000 0.6537000       2.584000      0.9024000      -1.234000       1.114000
  1 1 1      19   22   29 o    1.535000      0.5110000       1.264000 0.6212000       1.806000      0.8115000     -0.5417000       1.022000
  1 1 1      19   23    0 o    4.776000      0.3405000       4.966000 0.4893000       4.585000      0.4737000      0.3809000      0.6811000
  1 1 1      19   23    1 o    10.32000      0.2315000       10.73000 0.3304000       9.910000      0.3244000      0.8202000      0.4630000
  1 1 1      19   23    2 o    7.647000      0.2392000       7.568000 0.3531000       7.727000      0.3228000     -0.1592000      0.4784000
  1 1 1      19   23    3 o    4.629000      0.3123000       4.714000 0.4673000       4.544000      0.4145000      0.1709000      0.6246000
  1 1 1      19   23    4 o    6.534000      0.2460000       6.325000 0.3709000       6.742000      0.3232000     -0.4166000      0.4919000
  1 1 1      19   23    5 o    1.770000      0.4649000       1.502000 0.6589000       2.039000      0.6561000     -0.5367000      0.9298000
  1 1 1      19   23    6 o    7.242000      0.2229000       7.614000 0.3153000       6.870000      0.3151000      0.7437000      0.4458000
  1 1 1      19   23    7 o    10.44000      0.2119000       10.44000 0.3008000       10.45000      0.2985000     -0.8140000E-02  0.4238000
  1 1 1      19   23    8 o    4.803000      0.2582000       4.713000 0.3917000       4.893000      0.3366000     -0.1802000      0.5165000
  1 1 1      19   23    9 o    3.551000      0.3358000       3.440000 0.5106000       3.662000      0.4362000     -0.2228000      0.6715000
  1 1 1      19   23   10 o    11.02000      0.2081000       11.26000 0.2932000       10.78000      0.2953000      0.4714000      0.4161000
  1 1 1      19   23   11 o    5.840000      0.2350000       5.764000 0.3183000       5.917000      0.3457000     -0.1530000      0.4700000
  1 1 1      19   23   12 o    8.489000      0.2325000       8.607000 0.2757000       8.371000      0.3744000      0.2354000      0.4650000
  1 1 1      19   23   13 o    9.219000      0.2968000       9.461000 0.4039000       8.977000      0.4349000      0.4846000      0.5936000
  1 1 1      19   23   14 o    3.700000      0.5670000       4.203000 0.6677000       3.197000      0.9165000       1.006000       1.134000
  1 1 1      19   23   15 o    3.111000      0.6643000       3.831000 0.8541000       2.391000       1.018000       1.440000       1.329000
  1 1 1      19   23   16 o    4.438000      0.8483000       4.820000 1.006000       4.056000       1.366000      0.7648000       1.697000
  1 1 1      19   23   17 o    2.742000      0.8194000       2.598000 1.087000       2.886000       1.226000     -0.2884000       1.639000
  1 1 1      19   23   18 o    3.253000      0.9042000       2.862000 1.194000       3.644000       1.358000     -0.7815000       1.808000
  1 1 1      19   23   19 o    2.733000      0.8489000       2.690000 1.173000       2.775000       1.227000     -0.8498000E-01   1.698000
  1 1 1      19   23   20 o    2.998000      0.8613000       3.473000 1.265000       2.523000       1.169000      0.9499000       1.723000
  1 1 1      19   23   21 o    2.709000      0.8328000       2.635000 1.124000       2.783000       1.230000     -0.1484000       1.666000
  1 1 1      19   23   22 o    3.095000      0.8435000       3.928000 1.300000       2.262000       1.075000       1.666000       1.687000
  1 1 1      19   23   23 o    3.341000      0.8662000       2.787000 1.132000       3.896000       1.311000      -1.109000       1.732000
  1 1 1      19   23   24 o    2.904000      0.8204000       3.276000 1.204000       2.532000       1.114000      0.7439000       1.641000
  1 1 1      19   23   25 o    4.600000      0.7720000       4.161000 1.188000       5.040000      0.9859000     -0.8782000       1.544000
  1 1 1      19   23   26 o    2.964000      0.7692000       3.303000 1.114000       2.625000       1.061000      0.6781000       1.538000
  1 1 1      19   23   27 o    2.669000      0.7485000       2.659000 1.082000       2.679000       1.034000     -0.1913000E-01   1.497000
  1 1 1      19   23   28 o    2.269000      0.6650000       1.835000 0.8619000       2.702000       1.013000     -0.8665000       1.330000
  1 1 1      19   24    0 o    14.14000      0.2509000       14.50000 0.3585000       13.78000      0.3513000      0.7185000      0.5019000
  1 1 1      19   24    1 o    16.79000      0.2716000       16.68000 0.3816000       16.89000      0.3865000     -0.2141000      0.5431000
  1 1 1      19   24    2 o    3.238000      0.4555000       2.328000 0.7646000       4.147000      0.4954000      -1.819000      0.9111000
  1 1 1      19   24    3 o    5.468000      0.2677000       5.636000 0.4021000       5.299000      0.3535000      0.3374000      0.5354000
  1 1 1      19   24    4 o    3.579000      0.3698000       3.538000 0.5345000       3.619000      0.5112000     -0.8097000E-01  0.7396000
  1 1 1      19   24    5 o    2.741000      0.4279000       1.890000 0.7000000       3.592000      0.4924000      -1.701000      0.8558000
  1 1 1      19   24    6 o    7.705000      0.2238000       7.852000 0.3107000       7.557000      0.3222000      0.2948000      0.4476000
  1 1 1      19   24    7 o    11.05000      0.2135000       10.95000 0.3023000       11.16000      0.3015000     -0.2015000      0.4270000
  1 1 1      19   24    8 o    3.268000      0.3698000       3.348000 0.5547000       3.189000      0.4892000      0.1593000      0.7396000
  1 1 1      19   24    9 o    11.25000      0.2132000       11.37000 0.2946000       11.13000      0.3082000      0.2318000      0.4264000
  1 1 1      19   24   10 o    6.319000      0.2342000       6.533000 0.3188000       6.105000      0.3431000      0.4282000      0.4683000
  1 1 1      19   24   11 o    1.937000      0.4772000       2.085000 0.6710000       1.788000      0.6786000      0.2967000      0.9544000
  1 1 1      19   24   12 o    5.717000      0.2728000       5.897000 0.3423000       5.538000      0.4248000      0.3593000      0.5456000
  1 1 1      19   24   13 o    2.658000      0.5015000       2.061000 0.7011000       3.255000      0.7172000      -1.194000       1.003000
  1 1 1      19   24   14 o    3.831000      0.3936000       3.783000 0.5014000       3.879000      0.6068000     -0.9597000E-01  0.7871000
  1 1 1      19   24   15 o    2.012000      0.5497000       1.917000 0.7078000       2.106000      0.8412000     -0.1885000       1.099000
  1 1 1      19   24   16 o    1.690000      0.5242000       1.458000 0.6494000       1.921000      0.8229000     -0.4632000       1.048000
  1 1 1      19   24   17 o    1.909000      0.5424000       1.482000 0.6417000       2.336000      0.8746000     -0.8534000       1.085000
  1 1 1      19   24   18 o    2.093000      0.5685000       1.751000 0.7217000       2.435000      0.8786000     -0.6844000       1.137000
  1 1 1      19   24   19 o    3.720000      0.5114000       3.929000 0.6168000       3.511000      0.8158000      0.4181000       1.023000
  1 1 1      19   24   20 o    7.942000      0.3202000       7.915000 0.4154000       7.969000      0.4875000     -0.5445000E-01  0.6404000
  1 1 1      19   24   21 o    6.520000      0.3510000       6.917000 0.4529000       6.123000      0.5365000      0.7936000      0.7021000
  1 1 1      19   24   22 o    5.061000      0.4433000       5.284000 0.5614000       4.837000      0.6863000      0.4472000      0.8866000
  1 1 1      19   24   23 o    2.772000      0.6443000       2.813000 0.8921000       2.731000      0.9300000      0.8226000E-01   1.289000
  1 1 1      19   24   24 o    2.871000      0.6379000       2.403000 0.8936000       3.339000      0.9104000     -0.9361000       1.276000
  1 1 1      19   24   25 o    3.056000      0.6038000       2.091000 0.8615000       4.022000      0.8461000      -1.931000       1.208000
  1 1 1      19   24   26 o    2.017000      0.6006000       1.766000 0.7915000       2.268000      0.9035000     -0.5020000       1.201000
  1 1 1      19   24   27 o    2.394000      0.6408000       2.544000 0.9017000       2.244000      0.9106000      0.3004000       1.282000
  1 1 1      19   25    0 o    4.000000      0.4416000       3.159000 0.7522000       4.842000      0.4630000      -1.682000      0.8832000
  1 1 1      19   25    1 o    7.416000      0.2506000       6.949000 0.3769000       7.882000      0.3303000     -0.9332000      0.5012000
  1 1 1      19   25    2 o    8.593000      0.2370000       8.645000 0.3360000       8.542000      0.3342000      0.1035000      0.4739000
  1 1 1      19   25    3 o    1.410000      0.6401000       1.410000 0.6401000                  ?              ?              ?              ?
  1 1 1      19   25    4 o    3.241000      0.4276000       3.230000 0.6399000       3.253000      0.5675000     -0.2250000E-01  0.8553000
  1 1 1      19   25    5 o    4.807000      0.4156000                  ?       ?   4.807000      0.4156000                  ?              ?
  1 1 1      19   25    6 o    8.735000      0.2141000       8.814000 0.3063000       8.656000      0.2993000      0.1579000      0.4282000
  1 1 1      19   25    7 o    7.648000      0.2174000       7.469000 0.3112000       7.826000      0.3036000     -0.3579000      0.4347000
  1 1 1      19   25    8 o    10.90000      0.2130000       11.22000 0.3004000       10.58000      0.3020000      0.6371000      0.4259000
  1 1 1      19   25    9 o    6.250000      0.2369000       6.126000 0.3440000       6.373000      0.3257000     -0.2468000      0.4737000
  1 1 1      19   25   10 f    4.286000      0.2978000       4.408000 0.4179000       4.164000      0.4245000      0.2444000      0.5956000
  1 1 1      19   25   11 o    4.841000      0.2962000       4.555000 0.4181000       5.126000      0.4195000     -0.5713000      0.5923000
  1 1 1      19   25   12 o    1.974000      0.4875000       1.255000 0.5881000       2.694000      0.7778000      -1.438000      0.9751000
  1 1 1      19   25   13 o    7.169000      0.2458000       7.115000 0.3129000       7.223000      0.3790000     -0.1085000      0.4915000
  1 1 1      19   25   14 f    2.384000      0.5419000       2.643000 0.7057000       2.126000      0.8227000      0.5170000       1.084000
  1 1 1      19   25   15 o    1.928000      0.5450000       2.008000 0.7354000       1.848000      0.8046000      0.1594000       1.090000
  1 1 1      19   25   16 o    3.623000      0.5037000       3.829000 0.5592000       3.416000      0.8380000      0.4131000       1.007000
  1 1 1      19   25   17 o    2.405000      0.5558000       1.485000 0.6719000       3.324000      0.8855000      -1.839000       1.112000
  1 1 1      19   25   18 o    2.725000      0.5841000       2.999000 0.7412000       2.450000      0.9029000      0.5496000       1.168000
  1 1 1      19   25   19 o    4.376000      0.4618000       4.161000 0.5939000       4.591000      0.7074000     -0.4308000      0.9237000
  1 1 1      19   25   20 o    3.430000      0.5628000       3.908000 0.6252000       2.951000      0.9360000      0.9578000       1.126000
  1 1 1      19   25   21 o    2.590000      0.6143000       2.982000 0.8442000       2.198000      0.8928000      0.7845000       1.229000
  1 1 1      19   25   22 o    2.696000      0.6612000       2.714000 0.8934000       2.678000      0.9749000      0.3574000E-01   1.322000
  1 1 1      19   25   23 o    4.176000      0.5492000       4.403000 0.7050000       3.949000      0.8423000      0.4542000       1.098000
  1 1 1      19   25   24 f    1.872000      0.5817000       2.033000 0.8523000       1.711000      0.7919000      0.3218000       1.163000
  1 1 1      19   25   25 o    2.564000      0.6600000       2.177000 0.8847000       2.951000      0.9798000     -0.7742000       1.320000
  1 1 1      19   25   26 o    1.988000      0.6009000       2.159000 0.8770000       1.817000      0.8217000      0.3418000       1.202000
  1 1 1      19   25   27 o    2.253000       1.007000                  ?       ?   2.253000       1.007000                  ?              ?
  1 1 1      19   26    0 o    3.937000      0.4127000       4.175000 0.5699000       3.699000      0.5971000      0.4763000      0.8254000
  1 1 1      19   26    1 o    3.530000      0.4199000       3.510000 0.6147000       3.551000      0.5723000     -0.4099000E-01  0.8399000
  1 1 1      19   26    2 o    8.216000      0.2380000       8.207000 0.3500000       8.226000      0.3227000     -0.1978000E-01  0.4760000
  1 1 1      19   26    3 o    1.263000      0.6016000       1.263000 0.6016000                  ?              ?              ?              ?
  1 1 1      19   26    4 o    4.510000      0.3189000       4.399000 0.4560000       4.621000      0.4459000     -0.2227000      0.6378000
  1 1 1      19   26    5 o    10.79000      0.3134000                  ?       ?   10.79000      0.3134000                  ?              ?
  1 1 1      19   26    6 o    10.41000      0.2185000       10.40000 0.3151000       10.42000      0.3029000     -0.1651000E-01  0.4371000
  1 1 1      19   26    7 o    9.248000      0.2136000       9.515000 0.3050000       8.980000      0.2992000      0.5350000      0.4273000
  1 1 1      19   26    8 o    7.123000      0.2211000       7.283000 0.3108000       6.963000      0.3145000      0.3198000      0.4422000
  1 1 1      19   26    9 o    8.148000      0.3197000       8.005000 0.3069000       8.291000      0.5609000     -0.2856000      0.6393000
  1 1 1      19   26   10 o    5.525000      0.2727000       5.525000 0.3628000       5.524000      0.4073000      0.8492000E-03  0.5455000
  1 1 1      19   26   11 o    3.562000      0.4331000       3.525000 0.5630000       3.599000      0.6583000     -0.7378000E-01  0.8663000
  1 1 1      19   26   12 o    3.748000      0.4352000       3.631000 0.5848000       3.865000      0.6446000     -0.2343000      0.8703000
  1 1 1      19   26   13 o    1.677000      0.4871000       1.895000 0.7001000       1.460000      0.6775000      0.4348000      0.9742000
  1 1 1      19   26   14 o    4.083000      0.4424000       3.775000 0.5614000       4.391000      0.6838000     -0.6163000      0.8847000
  1 1 1      19   26   15 o    3.905000      0.5083000       4.793000 0.4733000       3.018000      0.8998000       1.775000       1.017000
  1 1 1      19   26   16 o    5.993000      0.3787000       6.098000 0.4207000       5.888000      0.6297000      0.2096000      0.7573000
  1 1 1      19   26   17 o    2.592000      0.5756000       3.096000 0.7518000       2.088000      0.8719000       1.008000       1.151000
  1 1 1      19   26   18 o    1.784000      0.5502000       1.804000 0.7509000       1.765000      0.8044000      0.3927000E-01   1.100000
  1 1 1      19   26   19 o    5.949000      0.3728000       5.841000 0.4805000       6.057000      0.5702000     -0.2154000      0.7456000
  1 1 1      19   26   20 o    1.845000      0.5722000       1.764000 0.7606000       1.927000      0.8551000     -0.1633000       1.144000
  1 1 1      19   26   21 o    5.094000      0.5125000       5.455000 0.6013000       4.732000      0.8300000      0.7237000       1.025000
  1 1 1      19   26   22 o    2.280000      0.7251000       2.320000 1.095000       2.239000      0.9508000      0.8134000E-01   1.450000
  1 1 1      19   26   23 o    2.246000      0.6375000       1.837000 0.8169000       2.655000      0.9790000     -0.8184000       1.275000
  1 1 1      19   26   24 o    2.716000      0.6339000       1.766000 0.7972000       3.665000      0.9858000      -1.899000       1.268000
  1 1 1      19   26   25 o    2.538000      0.6524000       2.864000 0.9166000       2.213000      0.9286000      0.6508000       1.305000
  1 1 1      19   26   26 o    2.620000      0.6185000       3.446000 0.9120000       1.794000      0.8357000       1.652000       1.237000
  1 1 1      19   27    0 o    2.306000      0.5367000       2.493000 0.8115000       2.119000      0.7027000      0.3739000       1.073000
  1 1 1      19   27    1 f    5.218000      0.3144000       5.084000 0.4662000       5.352000      0.4219000     -0.2682000      0.6288000
  1 1 1      19   27    2 o    6.284000      0.2780000       6.005000 0.4207000       6.563000      0.3637000     -0.5575000      0.5561000
  1 1 1      19   27    3 o    4.839000      0.3247000       5.207000 0.4386000       4.471000      0.4787000      0.7362000      0.6493000
  1 1 1      19   27    4 o    5.176000      0.2844000       5.563000 0.4065000       4.790000      0.3978000      0.7734000      0.5688000
  1 1 1      19   27    5 o    9.483000      0.2291000       9.266000 0.3316000       9.699000      0.3162000     -0.4337000      0.4582000
  1 1 1      19   27    6 o    3.682000      0.3952000       3.522000 0.6185000       3.842000      0.4921000     -0.3199000      0.7904000
  1 1 1      19   27    7 o    2.283000      0.5275000       2.275000 0.7416000       2.291000      0.7505000     -0.1634000E-01   1.055000
  1 1 1      19   27    8 o    4.527000      0.3283000       4.509000 0.4444000       4.545000      0.4833000     -0.3649000E-01  0.6566000
  1 1 1      19   27    9 o    7.004000      0.2478000       7.011000 0.3375000       6.996000      0.3629000      0.1485000E-01  0.4956000
  1 1 1      19   27   10 o    5.596000      0.3032000       5.731000 0.3903000       5.460000      0.4641000      0.2709000      0.6064000
  1 1 1      19   27   11 o    2.193000      0.5557000       2.307000 0.7415000       2.080000      0.8280000      0.2270000       1.111000
  1 1 1      19   27   12 o    3.060000      0.5168000       2.919000 0.6491000       3.201000      0.8044000     -0.2822000       1.034000
  1 1 1      19   27   13 o    2.365000      0.5320000       1.608000 0.6897000       3.122000      0.8101000      -1.515000       1.064000
  1 1 1      19   27   14 o    3.433000      0.5643000       3.362000 0.7187000       3.504000      0.8703000     -0.1422000       1.129000
  1 1 1      19   27   15 o    5.305000      0.3923000       5.855000 0.4542000       4.755000      0.6397000       1.100000      0.7846000
  1 1 1      19   27   16 o    3.984000      0.5308000       4.104000 0.5974000       3.865000      0.8775000      0.2388000       1.062000
  1 1 1      19   27   17 o    1.673000      0.5334000       1.779000 0.7629000       1.568000      0.7458000      0.2116000       1.067000
  1 1 1      19   27   18 o    3.121000      0.6290000       3.359000 0.8113000       2.884000      0.9614000      0.4745000       1.258000
  1 1 1      19   27   19 o    4.505000      0.5249000       5.029000 0.5608000       3.981000      0.8874000       1.048000       1.050000
  1 1 1      19   27   20 o    3.647000      0.6330000       3.723000 0.8075000       3.570000      0.9749000      0.1528000       1.266000
  1 1 1      19   27   21 o    4.862000      0.5539000       5.195000 0.6734000       4.528000      0.8795000      0.6669000       1.108000
  1 1 1      19   27   22 o    3.538000      0.6787000       2.836000 0.9778000       4.240000      0.9416000      -1.405000       1.357000
  1 1 1      19   27   23 o    2.279000      0.6580000       2.446000 0.9469000       2.112000      0.9140000      0.3336000       1.316000
  1 1 1      19   27   24 o    2.032000      0.6299000       2.011000 0.8695000       2.052000      0.9116000     -0.4069000E-01   1.260000
  1 1 1      19   27   25 o    1.942000      0.6032000       2.128000 0.8805000       1.757000      0.8247000      0.3715000       1.206000
  1 1 1      19   28    0 o    3.766000      0.4174000       3.922000 0.6492000       3.611000      0.5248000      0.3118000      0.8348000
  1 1 1      19   28    1 o    2.375000      0.4493000       3.431000 0.6657000       1.318000      0.6035000       2.113000      0.8985000
  1 1 1      19   28    2 o    4.488000      0.3570000       4.624000 0.5144000       4.351000      0.4952000      0.2731000      0.7141000
  1 1 1      19   28    3 o    1.473000      0.4575000       1.404000 0.6436000       1.542000      0.6503000     -0.1373000      0.9149000
  1 1 1      19   28    4 o    4.661000      0.3356000       5.058000 0.4653000       4.265000      0.4839000      0.7927000      0.6713000
  1 1 1      19   28    5 o    7.237000      0.2504000       7.360000 0.3535000       7.114000      0.3547000      0.2457000      0.5007000
  1 1 1      19   28    6 o    4.737000      0.3759000       3.750000 0.6347000       5.723000      0.4030000      -1.973000      0.7518000
  1 1 1      19   28    7 o    7.303000      0.2532000       7.201000 0.3618000       7.405000      0.3542000     -0.2037000      0.5063000
  1 1 1      19   28    8 o    7.000000      0.2501000       7.249000 0.3365000       6.750000      0.3700000      0.4998000      0.5001000
  1 1 1      19   28    9 o    3.067000      0.5058000       2.260000 0.7563000       3.875000      0.6718000      -1.615000       1.012000
  1 1 1      19   28   10 o    1.778000      0.5322000       1.621000 0.6938000       1.935000      0.8072000     -0.3143000       1.064000
  1 1 1      19   28   11 o    2.570000      0.5797000       2.637000 0.7752000       2.504000      0.8622000      0.1333000       1.159000
  1 1 1      19   28   12 o    2.178000      0.5812000       1.941000 0.7707000       2.415000      0.8702000     -0.4732000       1.162000
  1 1 1      19   28   13 o    1.589000      0.5160000       1.370000 0.6455000       1.807000      0.8053000     -0.4369000       1.032000
  1 1 1      19   28   14 o    2.927000      0.5770000       3.335000 0.6847000       2.520000      0.9290000      0.8147000       1.154000
  1 1 1      19   28   15 o    3.911000      0.5267000       3.376000 0.7290000       4.445000      0.7605000      -1.069000       1.053000
  1 1 1      19   28   16 o    2.417000      0.6421000       2.483000 0.8555000       2.350000      0.9576000      0.1329000       1.284000
  1 1 1      19   28   17 o    2.036000      0.5970000       2.287000 0.8629000       1.786000      0.8253000      0.5005000       1.194000
  1 1 1      19   28   18 f    2.660000      0.6755000       2.692000 0.8968000       2.627000       1.010000      0.6562000E-01   1.351000
  1 1 1      19   28   19 o    4.770000      0.5541000       4.850000 0.6558000       4.690000      0.8934000      0.1594000       1.108000
  1 1 1      19   28   20 o    2.805000      0.7118000       2.733000 0.9555000       2.878000       1.055000     -0.1452000       1.424000
  1 1 1      19   28   21 o    3.159000      0.6763000       3.872000 0.8986000       2.445000       1.011000       1.427000       1.353000
  1 1 1      19   28   22 o    2.988000      0.7244000       3.189000 0.9798000       2.786000       1.067000      0.4039000       1.449000
  1 1 1      19   28   23 o    1.935000      0.6139000       1.761000 0.8092000       2.109000      0.9235000     -0.3482000       1.228000
  1 1 1      19   28   24 o    2.042000      0.6362000       2.077000 0.8867000       2.006000      0.9126000      0.7172000E-01   1.272000
  1 1 1      19   29    0 o    6.581000      0.2924000       6.669000 0.4174000       6.492000      0.4097000      0.1768000      0.5848000
  1 1 1      19   29    1 f    3.039000      0.7841000       2.565000 0.9594000       3.513000       1.240000     -0.9487000       1.568000
  1 1 1      19   29    2 o    4.471000      0.7154000       4.045000 0.8628000       4.896000       1.141000     -0.8511000       1.431000
  1 1 1      19   29    3 o    3.617000      0.7358000       3.931000 0.8203000       3.303000       1.222000      0.6279000       1.472000
  1 1 1      19   29    4 o    2.754000      0.7030000       2.940000 0.9376000       2.568000       1.048000      0.3724000       1.406000
  1 1 1      19   29    5 o    6.272000      0.4135000       5.410000 0.4444000       7.135000      0.6975000      -1.726000      0.8271000
  1 1 1      19   29    6 o    1.859000      0.4999000       2.344000 0.7621000       1.374000      0.6472000      0.9697000      0.9998000
  1 1 1      19   29    7 o    4.458000      0.3686000       4.545000 0.5202000       4.372000      0.5224000      0.1724000      0.7372000
  1 1 1      19   29    8 o    3.906000      0.4486000       3.833000 0.6451000       3.978000      0.6237000     -0.1447000      0.8973000
  1 1 1      19   29    9 o    1.984000      0.5585000       2.229000 0.8053000       1.738000      0.7740000      0.4912000       1.117000
  1 1 1      19   29   10 o    2.680000      0.6103000       2.652000 0.8124000       2.708000      0.9110000     -0.5600000E-01   1.221000
  1 1 1      19   29   11 o    2.177000      0.5335000       2.714000 0.7622000       1.640000      0.7466000       1.074000       1.067000
  1 1 1      19   29   12 o    2.903000      0.5931000       2.441000 0.8001000       3.366000      0.8756000     -0.9257000       1.186000
  1 1 1      19   29   13 o    3.310000      0.6054000       3.574000 0.7016000       3.045000      0.9869000      0.5290000       1.211000
  1 1 1      19   29   14 o    1.813000      0.5714000       1.583000 0.7133000       2.043000      0.8928000     -0.4601000       1.143000
  1 1 1      19   29   15 o    1.874000      0.5865000       1.660000 0.7464000       2.087000      0.9049000     -0.4269000       1.173000
  1 1 1      19   29   16 o    2.154000      0.6363000       1.636000 0.7527000       2.672000       1.026000      -1.037000       1.273000
  1 1 1      19   29   17 o    5.247000      0.5183000       5.131000 0.6372000       5.363000      0.8178000     -0.2316000       1.037000
  1 1 1      19   29   18 o    2.346000      0.6764000       1.953000 0.8519000       2.740000       1.051000     -0.7870000       1.353000
  1 1 1      19   29   19 o    4.239000      0.6535000       4.677000 0.7666000       3.802000       1.058000      0.8754000       1.307000
  1 1 1      19   29   20 o    2.108000      0.6588000       2.024000 0.8942000       2.192000      0.9678000     -0.1687000       1.318000
  1 1 1      19   29   21 o    2.488000      0.7054000       2.448000 0.9654000       2.527000       1.029000     -0.7959000E-01   1.411000
  1 1 1      19   29   22 o    2.721000      0.7382000       2.668000 0.9830000       2.774000       1.102000     -0.1061000       1.476000
  1 1 1      19   29   23 o    2.715000      0.7562000       2.125000 0.9219000       3.305000       1.199000      -1.179000       1.512000
  1 1 1      19   30    0 o    2.579000      0.6239000       3.098000 0.9643000       2.060000      0.7919000       1.039000       1.248000
  1 1 1      19   30    1 o    1.349000      0.4506000       1.535000 0.6981000       1.162000      0.5698000      0.3729000      0.9011000
  1 1 1      19   30    2 o    5.565000      0.3393000       5.458000 0.5155000       5.673000      0.4414000     -0.2157000      0.6787000
  1 1 1      19   30    3 f    3.623000      0.4520000       3.947000 0.6332000       3.299000      0.6453000      0.6479000      0.9041000
  1 1 1      19   30    4 o    2.418000      0.8085000       2.418000 0.8085000                  ?              ?              ?              ?
  1 1 1      19   30    5 o    2.694000      0.5585000       2.334000 0.8025000       3.054000      0.7769000     -0.7195000       1.117000
  1 1 1      19   30    6 o    3.074000      0.8128000                  ?       ?   3.074000      0.8128000                  ?              ?
  1 1 1      19   30    7 o    3.977000      0.7291000       4.255000 0.8175000       3.699000       1.208000      0.5560000       1.458000
  1 1 1      19   30    8 o    2.608000      0.7070000       2.753000 0.9354000       2.463000       1.060000      0.2904000       1.414000
  1 1 1      19   30    9 o    6.577000      0.4798000       7.017000 0.5166000       6.137000      0.8087000      0.8808000      0.9596000
  1 1 1      19   30   10 o    5.340000      0.5221000       5.233000 0.5789000       5.446000      0.8690000     -0.2130000       1.044000
  1 1 1      19   30   11 o    2.221000      0.6224000       2.538000 0.8709000       1.904000      0.8894000      0.6340000       1.245000
  1 1 1      19   30   12 o    2.604000      0.6987000       2.297000 0.8637000       2.911000       1.099000     -0.6146000       1.397000
  1 1 1      19   30   13 f    2.438000      0.6905000       2.116000 0.8612000       2.759000       1.080000     -0.6431000       1.381000
  1 1 1      19   30   14 o    2.247000      0.6650000       1.468000 0.6990000       3.026000       1.132000      -1.558000       1.330000
  1 1 1      19   30   15 o    2.492000      0.7266000       2.032000 0.8747000       2.952000       1.160000     -0.9201000       1.453000
  1 1 1      19   30   16 o    3.022000      0.7441000       3.307000 0.9703000       2.737000       1.128000      0.5701000       1.488000
  1 1 1      19   30   17 o    2.808000      0.7410000       3.253000 1.042000       2.364000       1.053000      0.8884000       1.482000
  1 1 1      19   30   18 o    2.901000      0.7727000       2.444000 1.020000       3.357000       1.161000     -0.9139000       1.545000
  1 1 1      19   30   19 o    3.378000      0.7968000       3.377000 1.099000       3.379000       1.154000     -0.2209000E-02   1.594000
  1 1 1      19   30   20 o    2.225000      0.7025000       2.208000 0.9575000       2.241000       1.028000     -0.3263000E-01   1.405000
  1 1 1      19   30   21 o    2.534000      0.7262000       2.959000 1.061000       2.109000      0.9920000      0.8506000       1.452000
  1 1 1      19   31    0 f    2.936000      0.5775000       2.958000 0.8571000       2.915000      0.7743000      0.4268000E-01   1.155000
  1 1 1      19   31    1 o    1.534000      0.4936000       1.656000 0.7449000       1.412000      0.6478000      0.2438000      0.9872000
  1 1 1      19   31    2 o    3.674000      0.5984000       3.828000 0.9565000       3.521000      0.7194000      0.3072000       1.197000
  1 1 1      19   31    3 o    4.300000      0.5742000       4.079000 0.9316000       4.521000      0.6716000     -0.4421000       1.148000
  1 1 1      19   31    4 o    2.808000       1.007000       2.808000 1.007000                  ?              ?              ?              ?
  1 1 1      19   31    5 o    2.456000      0.6143000       2.887000 0.9037000       2.025000      0.8324000      0.8622000       1.229000
  1 1 1      19   31    6 o    4.040000      0.7698000                  ?       ?   4.040000      0.7698000                  ?              ?
  1 1 1      19   31    7 o    5.864000      0.4155000       6.308000 0.6466000       5.420000      0.5220000      0.8876000      0.8310000
  1 1 1      19   31    8 o    7.903000      0.3077000       7.944000 0.3994000       7.863000      0.4681000      0.8097000E-01  0.6153000
  1 1 1      19   31    9 o    4.610000      0.4848000       5.062000 0.5720000       4.157000      0.7829000      0.9043000      0.9696000
  1 1 1      19   31   10 o    2.513000      0.6175000       1.976000 0.8079000       3.050000      0.9342000      -1.074000       1.235000
  1 1 1      19   31   11 o    3.006000      0.6532000       3.157000 0.8330000       2.855000       1.006000      0.3021000       1.306000
  1 1 1      19   31   12 f    2.393000      0.6538000       2.527000 0.8999000       2.259000      0.9486000      0.2676000       1.308000
  1 1 1      19   31   13 o    2.292000      0.6630000       2.015000 0.8522000       2.569000       1.016000     -0.5543000       1.326000
  1 1 1      19   31   14 o    2.790000      0.7138000       2.574000 0.9320000       3.006000       1.081000     -0.4323000       1.428000
  1 1 1      19   31   15 o    5.040000      0.5969000       3.823000 0.9260000       6.258000      0.7534000      -2.436000       1.194000
  1 1 1      19   31   16 o    3.360000      0.7039000       2.346000 0.9638000       4.374000       1.026000      -2.028000       1.408000
  1 1 1      19   31   17 o    2.832000      0.8693000       3.637000 1.466000       2.027000      0.9338000       1.610000       1.739000
  1 1 1      19   31   18 o    2.634000      0.7231000       2.142000 0.9328000       3.126000       1.105000     -0.9844000       1.446000
  1 1 1      19   31   19 o    3.571000      0.7431000       2.895000 1.040000       4.247000       1.062000      -1.352000       1.486000
  1 1 1      19   31   20 o    2.493000      0.7356000       2.254000 0.9581000       2.733000       1.117000     -0.4791000       1.471000
  1 1 1      19   32    0 o    2.444000      0.6058000       2.388000 0.8800000       2.499000      0.8330000     -0.1118000       1.212000
  1 1 1      19   32    1 o    2.687000      0.6033000       2.769000 0.8656000       2.604000      0.8406000      0.1647000       1.207000
  1 1 1      19   32    2 o    1.850000      0.5602000       2.034000 0.8273000       1.667000      0.7555000      0.3666000       1.120000
  1 1 1      19   32    3 o    2.816000      0.5939000       2.339000 0.8651000       3.293000      0.8139000     -0.9536000       1.188000
  1 1 1      19   32    4 o    1.698000      0.5307000       1.988000 0.8291000       1.408000      0.6626000      0.5803000       1.061000
  1 1 1      19   32    5 o    1.785000      0.5518000       1.848000 0.7898000       1.721000      0.7707000      0.1270000       1.104000
  1 1 1      19   32    6 o    2.324000      0.5732000       2.932000 0.8418000       1.716000      0.7783000       1.216000       1.146000
  1 1 1      19   32    7 o    4.166000      0.5433000       4.568000 0.6593000       3.764000      0.8637000      0.8042000       1.087000
  1 1 1      19   32    8 o    3.934000      0.5798000       3.644000 0.8157000       4.225000      0.8243000     -0.5816000       1.160000
  1 1 1      19   32    9 o    3.577000      0.6198000       3.292000 0.9089000       3.862000      0.8430000     -0.5706000       1.240000
  1 1 1      19   32   10 o    4.221000      0.6962000       4.681000 0.6769000       3.761000       1.217000      0.9206000       1.392000
  1 1 1      19   32   11 o    3.964000      0.7770000       2.419000 1.119000       5.510000       1.078000      -3.092000       1.554000
  1 1 1      19   32   12 f    3.736000      0.9328000       3.311000 1.306000       4.161000       1.332000     -0.8496000       1.866000
  1 1 1      19   32   13 o    3.033000      0.8463000       2.415000 1.131000       3.650000       1.259000      -1.235000       1.693000
  1 1 1      19   32   14 o    3.467000      0.9703000       3.524000 1.377000       3.409000       1.367000      0.1153000       1.941000
  1 1 1      19   32   15 o    3.823000       1.005000       2.721000 1.258000       4.925000       1.567000      -2.204000       2.009000
  1 1 1      19   32   16 o    2.978000      0.9085000       3.825000 1.479000       2.131000       1.055000       1.694000       1.817000
  1 1 1      19   32   17 o    3.858000       1.047000       4.313000 1.537000       3.403000       1.421000      0.9093000       2.094000
  1 1 1      19   32   18 o    3.651000       1.561000                  ?       ?   3.651000       1.561000                  ?              ?
  1 1 1      19   33    0 f    2.757000      0.6179000       3.237000 0.8550000       2.276000      0.8922000      0.9609000       1.236000
  1 1 1      19   33    1 o    4.283000      0.5268000       3.479000 0.8562000       5.087000      0.6142000      -1.607000       1.054000
  1 1 1      19   33    2 o    2.096000      0.5828000       2.620000 0.9045000       1.571000      0.7352000       1.049000       1.166000
  1 1 1      19   33    3 o    1.729000      0.5492000       1.835000 0.8031000       1.624000      0.7494000      0.2116000       1.098000
  1 1 1      19   33    4 f    1.357000      0.4652000       1.177000 0.5860000       1.537000      0.7228000     -0.3604000      0.9305000
  1 1 1      19   33    5 o    2.909000      0.6524000       2.930000 0.9013000       2.888000      0.9435000      0.4240000E-01   1.305000
  1 1 1      19   33    6 f    3.002000      0.6212000       1.900000 0.8492000       4.105000      0.9068000      -2.205000       1.242000
  1 1 1      19   33    7 o    2.421000      0.6825000       2.179000 0.9170000       2.663000       1.011000     -0.4841000       1.365000
  1 1 1      19   33    8 o    2.523000      0.6789000       2.483000 0.9362000       2.564000      0.9835000     -0.8098000E-01   1.358000
  1 1 1      19   33    9 o    2.407000      0.6785000       2.335000 0.9317000       2.479000      0.9867000     -0.1443000       1.357000
  1 1 1      19   33   10 o    2.467000      0.6785000       2.885000 0.9991000       2.048000      0.9184000      0.8367000       1.357000
  1 1 1      19   33   11 o    2.205000      0.6787000       2.161000 0.9305000       2.249000      0.9884000     -0.8745000E-01   1.357000
  1 1 1      19   33   12 o    2.785000      0.7125000       1.895000 0.8648000       3.676000       1.133000      -1.781000       1.425000
  1 1 1      19   33   13 o    3.325000      0.7693000       3.131000 1.067000       3.520000       1.108000     -0.3894000       1.539000
  1 1 1      19   33   14 o    2.598000      0.7181000       3.164000 1.073000       2.032000      0.9548000       1.132000       1.436000
  1 1 1      19   33   15 o    2.313000      0.7105000       2.111000 0.9200000       2.515000       1.083000     -0.4038000       1.421000
  1 1 1      19   33   16 o    2.619000      0.7529000       2.086000 0.9322000       3.152000       1.183000      -1.066000       1.506000
  1 1 1      19   33   17 o    3.945000      0.7322000       2.834000 1.073000       5.056000      0.9968000      -2.221000       1.464000
  1 1 1      19   34    0 o    2.296000      0.6570000       2.517000 0.9645000       2.075000      0.8924000      0.4417000       1.314000
  1 1 1      19   34    1 o    2.793000      0.6900000       2.970000 0.9910000       2.616000      0.9604000      0.3547000       1.380000
  1 1 1      19   34    2 o    2.251000      0.6374000       1.907000 0.8484000       2.595000      0.9514000     -0.6882000       1.275000
  1 1 1      19   34    3 f    2.032000      0.6185000       1.987000 0.8700000       2.077000      0.8795000     -0.9000000E-01   1.237000
  1 1 1      19   34    4 o    2.290000      0.6415000       1.810000 0.8284000       2.770000      0.9798000     -0.9600000       1.283000
  1 1 1      19   34    5 o    2.896000      0.6553000       3.576000 0.9403000       2.216000      0.9129000       1.360000       1.311000
  1 1 1      19   34    6 o    2.823000      0.6623000       2.063000 0.8967000       3.583000      0.9749000      -1.520000       1.325000
  1 1 1      19   34    7 o    2.816000      0.7243000       2.573000 1.022000       3.059000       1.027000     -0.4858000       1.449000
  1 1 1      19   34    8 o    2.944000      0.7201000       3.321000 1.040000       2.567000      0.9965000      0.7543000       1.440000
  1 1 1      19   34    9 o    2.511000      0.6884000       2.019000 0.8912000       3.003000       1.050000     -0.9838000       1.377000
  1 1 1      19   34   10 o    2.845000      0.6866000       3.552000 0.9747000       2.137000      0.9673000       1.416000       1.373000
  1 1 1      19   34   11 o    2.438000      0.7141000       2.557000 1.016000       2.320000       1.003000      0.2368000       1.428000
  1 1 1      19   34   12 o    3.048000      0.7251000       2.301000 0.9921000       3.794000       1.058000      -1.492000       1.450000
  1 1 1      19   34   13 o    3.442000      0.7150000       2.329000 0.9896000       4.555000       1.032000      -2.226000       1.430000
  1 1 1      19   34   14 o    3.683000      0.7663000       4.191000 0.9660000       3.175000       1.190000       1.016000       1.533000
  1 1 1      19   34   15 o    3.288000      0.8170000       3.236000 1.094000       3.340000       1.214000     -0.1042000       1.634000
  1 1 1      19   35    0 o    2.262000      0.6622000       1.972000 0.8803000       2.552000      0.9895000     -0.5803000       1.324000
  1 1 1      19   35    1 o    2.139000      0.6507000       2.045000 0.9049000       2.233000      0.9352000     -0.1879000       1.301000
  1 1 1      19   35    2 o    2.167000      0.6599000       2.304000 0.9709000       2.031000      0.8941000      0.2726000       1.320000
  1 1 1      19   35    3 o    2.714000      0.7135000       2.558000 0.9993000       2.870000       1.019000     -0.3111000       1.427000
  1 1 1      19   35    4 o    2.654000      0.6892000       2.143000 0.9391000       3.165000       1.009000      -1.022000       1.378000
  1 1 1      19   35    5 o    1.469000      0.7224000       1.469000 0.7224000                  ?              ?              ?              ?
  1 1 1      19   35    6 o    2.737000      0.7061000       3.212000 1.050000       2.262000      0.9439000      0.9501000       1.412000
  1 1 1      19   35    7 o    2.055000      0.9097000                  ?       ?   2.055000      0.9097000                  ?              ?
  1 1 1      19   35    8 f    2.175000      0.6619000       2.439000 0.9910000       1.911000      0.8778000      0.5280000       1.324000
  1 1 1      19   35    9 o    3.461000      0.7528000       2.943000 1.006000       3.979000       1.120000      -1.036000       1.506000
  1 1 1      19   35   10 o    2.423000      0.7241000       2.476000 1.003000       2.369000       1.045000      0.1073000       1.448000
  1 1 1      19   35   11 o    2.563000      0.7440000       2.817000 1.089000       2.310000       1.014000      0.5068000       1.488000
  1 1 1      19   35   12 o    3.246000      0.7643000       3.697000 1.078000       2.796000       1.084000      0.9010000       1.529000
  1 1 1      19   36    0 o    2.647000      0.7171000       2.569000 1.012000       2.725000       1.016000     -0.1558000       1.434000
  1 1 1      19   36    1 o    2.305000      0.6830000       2.269000 0.9662000       2.341000      0.9657000     -0.7185000E-01   1.366000
  1 1 1      19   36    2 o    3.330000      0.6921000       4.291000 0.9837000       2.369000      0.9740000       1.922000       1.384000
  1 1 1      19   36    3 o    2.826000      0.7072000       3.496000 1.051000       2.156000      0.9464000       1.340000       1.414000
  1 1 1      19   36    4 o    2.559000      0.7093000       2.917000 1.042000       2.200000      0.9621000      0.7175000       1.419000
  1 1 1      19   36    5 o    4.924000      0.8316000       4.924000 0.8316000                  ?              ?              ?              ?
  1 1 1      19   36    6 o    3.630000      0.6881000       2.581000 1.054000       4.679000      0.8844000      -2.098000       1.376000
  1 1 1      19   36    7 o    2.404000      0.9962000                  ?       ?   2.404000      0.9962000                  ?              ?
  1 1 1      19   36    8 o    2.495000      0.7157000       2.045000 0.9320000       2.945000       1.086000     -0.8999000       1.431000
  1 1 1      19   36    9 o    2.337000      0.7097000       2.668000 1.068000       2.007000      0.9354000      0.6610000       1.419000
  1 1 1      19   37    0 o    2.279000      0.6871000       2.180000 0.9591000       2.379000      0.9841000     -0.1986000       1.374000
  1 1 1      19   37    1 o    3.032000      0.6854000       3.929000 0.9945000       2.136000      0.9434000       1.793000       1.371000
  1 1 1      19   37    2 o    2.770000      0.7294000       3.181000 1.082000       2.359000      0.9783000      0.8227000       1.459000
  1 1 1      19   37    3 o    3.102000      0.8615000       2.768000 1.068000       3.435000       1.352000     -0.6671000       1.723000
  1 1 1      19   37    4 o    2.986000       1.323000                  ?       ?   2.986000       1.323000                  ?              ?
  1 1 1      20  -19    0 o    2.086000      0.6140000       1.613000 0.7613000       2.558000      0.9635000     -0.9451000       1.228000
  1 1 1      20  -19    1 o    2.189000      0.6235000       2.589000 0.9369000       1.790000      0.8228000      0.7997000       1.247000
  1 1 1      20  -19    2 o    1.973000      0.6091000       2.053000 0.8708000       1.893000      0.8519000      0.1607000       1.218000
  1 1 1      20  -19    3 o    3.630000      0.6676000       3.401000 0.9838000       3.860000      0.9026000     -0.4595000       1.335000
  1 1 1      20  -19    4 o    4.411000      0.7156000       5.095000 0.7230000       3.728000       1.235000       1.367000       1.431000
  1 1 1      20  -19    5 o    2.822000      0.6842000       3.351000 0.9725000       2.294000      0.9626000       1.058000       1.368000
  1 1 1      20  -19    6 o    3.447000      0.8437000       4.586000 1.325000       2.307000       1.044000       2.279000       1.687000
  1 1 1      20  -18    0 o    3.339000      0.6677000       3.545000 0.9041000       3.133000      0.9828000      0.4124000       1.335000
  1 1 1      20  -18    1 o    3.128000      0.6962000       3.160000 0.9418000       3.095000       1.026000      0.6508000E-01   1.392000
  1 1 1      20  -18    2 o    5.554000      0.4629000       5.667000 0.6121000       5.440000      0.6945000      0.2273000      0.9257000
  1 1 1      20  -18    3 o    5.003000      0.5416000       6.122000 0.5507000       3.884000      0.9327000       2.238000       1.083000
  1 1 1      20  -18    4 o    3.658000      0.6682000       3.204000 1.075000       4.112000      0.7947000     -0.9085000       1.336000
  1 1 1      20  -18    5 o    2.760000      0.7878000       2.305000 0.9852000       3.216000       1.230000     -0.9111000       1.576000
  1 1 1      20  -18    6 o    3.115000      0.8181000       3.150000 1.119000       3.080000       1.194000      0.6981000E-01   1.636000
  1 1 1      20  -18    7 o    5.614000      0.4803000       6.205000 0.5899000       5.022000      0.7581000       1.183000      0.9606000
  1 1 1      20  -18    8 o    2.139000      0.6393000       1.928000 0.8540000       2.350000      0.9515000     -0.4216000       1.279000
  1 1 1      20  -18    9 o    2.949000      0.8600000       2.862000 1.210000       3.036000       1.223000     -0.1740000       1.720000
  1 1 1      20  -18   10 o    5.580000      0.8434000       6.651000 1.056000       4.510000       1.315000       2.141000       1.687000
  1 1 1      20  -17    0 o    2.128000      0.6186000       2.152000 0.8678000       2.104000      0.8817000      0.4769000E-01   1.237000
  1 1 1      20  -17    1 o    4.753000      0.5011000       4.690000 0.6791000       4.815000      0.7371000     -0.1245000       1.002000
  1 1 1      20  -17    2 o    6.749000      0.5766000       7.099000 0.6398000       6.398000      0.9595000      0.7003000       1.153000
  1 1 1      20  -17    3 o    5.191000      0.6669000       5.224000 0.8500000       5.158000       1.028000      0.6661000E-01   1.334000
  1 1 1      20  -17    4 o    4.392000      0.5306000       4.503000 0.6836000       4.282000      0.8117000      0.2210000       1.061000
  1 1 1      20  -17    5 o    4.118000      0.5694000       3.873000 0.7922000       4.362000      0.8182000     -0.4894000       1.139000
  1 1 1      20  -17    6 o    3.919000      0.8282000       4.606000 1.176000       3.232000       1.166000       1.374000       1.656000
  1 1 1      20  -17    7 o    8.133000      0.5187000       8.186000 0.7657000       8.080000      0.6999000      0.1060000       1.037000
  1 1 1      20  -17    8 o    4.142000      0.7211000       4.993000 1.054000       3.291000      0.9849000       1.703000       1.442000
  1 1 1      20  -17    9 o    2.718000      0.6741000       2.259000 0.9006000       3.177000       1.003000     -0.9188000       1.348000
  1 1 1      20  -17   10 o    3.514000      0.6930000       3.666000 0.9293000       3.361000       1.028000      0.3044000       1.386000
  1 1 1      20  -17   11 o    3.945000      0.6313000       3.936000 0.8581000       3.954000      0.9263000     -0.1836000E-01   1.263000
  1 1 1      20  -17   12 f    2.777000      0.6881000       2.215000 0.9159000       3.340000       1.027000      -1.125000       1.376000
  1 1 1      20  -17   13 o    2.758000      0.6992000       3.086000 0.9655000       2.431000       1.011000      0.6547000       1.398000
  1 1 1      20  -16    0 o    2.399000      0.7261000       1.901000 0.8831000       2.897000       1.153000     -0.9961000       1.452000
  1 1 1      20  -16    1 o    5.571000      0.3763000       5.547000 0.5725000       5.595000      0.4885000     -0.4725000E-01  0.7526000
  1 1 1      20  -16    2 f    6.157000      0.3697000       5.373000 0.5633000       6.941000      0.4788000      -1.568000      0.7393000
  1 1 1      20  -16    3 o    4.443000      0.4913000       4.032000 0.7675000       4.854000      0.6135000     -0.8216000      0.9825000
  1 1 1      20  -16    4 o    3.375000      0.7228000       3.370000 1.054000       3.381000      0.9893000     -0.1059000E-01   1.446000
  1 1 1      20  -16    5 o    2.737000      0.6334000       3.638000 0.9511000       1.836000      0.8367000       1.801000       1.267000
  1 1 1      20  -16    6 o    2.796000      0.6278000       3.141000 0.8535000       2.450000      0.9209000      0.6903000       1.256000
  1 1 1      20  -16    7 o    2.004000      0.6051000       2.207000 0.8829000       1.800000      0.8278000      0.4078000       1.210000
  1 1 1      20  -16    8 o    3.005000      0.6528000       3.246000 0.8538000       2.764000      0.9878000      0.4817000       1.306000
  1 1 1      20  -16    9 f    3.822000      0.6066000       4.047000 0.7596000       3.596000      0.9459000      0.4512000       1.213000
  1 1 1      20  -16   10 o    4.028000      0.5801000       4.625000 0.6318000       3.431000      0.9732000       1.194000       1.160000
  1 1 1      20  -16   11 o    2.626000      0.6802000       2.784000 0.9551000       2.468000      0.9686000      0.3161000       1.360000
  1 1 1      20  -16   12 o    2.430000      0.6281000       1.663000 0.7740000       3.197000      0.9894000      -1.534000       1.256000
  1 1 1      20  -16   13 o    2.914000      0.6892000       2.635000 0.9505000       3.193000      0.9983000     -0.5574000       1.378000
  1 1 1      20  -16   14 o    3.298000      0.7140000       3.060000 0.9849000       3.536000       1.034000     -0.4761000       1.428000
  1 1 1      20  -16   15 o    2.248000      0.6702000       1.883000 0.8474000       2.613000       1.039000     -0.7305000       1.340000
  1 1 1      20  -15    0 o    6.858000      0.3281000       7.112000 0.4531000       6.604000      0.4747000      0.5083000      0.6563000
  1 1 1      20  -15    1 f    4.578000      0.5565000       4.260000 0.8921000       4.896000      0.6654000     -0.6360000       1.113000
  1 1 1      20  -15    2 o    3.375000      0.6587000       3.310000 0.9895000       3.441000      0.8697000     -0.1309000       1.317000
  1 1 1      20  -15    3 o    3.527000      0.5242000       2.249000 0.8420000       4.805000      0.6245000      -2.556000       1.048000
  1 1 1      20  -15    4 o    3.393000      0.5826000       3.049000 0.8484000       3.737000      0.7988000     -0.6887000       1.165000
  1 1 1      20  -15    5 o    2.926000      0.5994000       3.087000 0.8168000       2.765000      0.8776000      0.3221000       1.199000
  1 1 1      20  -15    6 o    5.074000      0.4002000       5.350000 0.5274000       4.799000      0.6021000      0.5506000      0.8004000
  1 1 1      20  -15    7 o    6.943000      0.3185000       6.972000 0.4346000       6.915000      0.4657000      0.5637000E-01  0.6370000
  1 1 1      20  -15    8 o    8.833000      0.3015000       9.082000 0.4056000       8.583000      0.4462000      0.4999000      0.6030000
  1 1 1      20  -15    9 o    8.311000      0.3064000       8.556000 0.4111000       8.067000      0.4545000      0.4894000      0.6128000
  1 1 1      20  -15   10 o    6.928000      0.3537000       7.488000 0.4367000       6.369000      0.5565000       1.119000      0.7073000
  1 1 1      20  -15   11 o    8.897000      0.3950000       9.255000 0.6349000       8.539000      0.4701000      0.7157000      0.7900000
  1 1 1      20  -15   12 o    5.273000      0.4643000       5.744000 0.5589000       4.802000      0.7415000      0.9418000      0.9285000
  1 1 1      20  -15   13 o    2.948000      0.6594000       3.269000 0.8839000       2.627000      0.9789000      0.6425000       1.319000
  1 1 1      20  -15   14 o    3.533000      0.6622000       3.842000 0.8389000       3.224000       1.025000      0.6186000       1.324000
  1 1 1      20  -15   15 o    3.190000      0.6940000       2.630000 0.9425000       3.750000       1.019000      -1.120000       1.388000
  1 1 1      20  -15   16 o    2.717000      0.6979000       2.861000 0.9495000       2.573000       1.023000      0.2881000       1.396000
  1 1 1      20  -15   17 o    2.412000      0.6815000       2.639000 0.9514000       2.184000      0.9759000      0.4549000       1.363000
  1 1 1      20  -14    0 o    2.186000      0.6072000       1.884000 0.8555000       2.488000      0.8619000     -0.6039000       1.214000
  1 1 1      20  -14    1 o    10.44000      0.2645000       10.79000 0.3771000       10.09000      0.3709000      0.6932000      0.5290000
  1 1 1      20  -14    2 o    7.254000      0.2907000       7.489000 0.4082000       7.018000      0.4139000      0.4701000      0.5813000
  1 1 1      20  -14    3 o    6.158000      0.3199000       6.411000 0.4289000       5.905000      0.4748000      0.5058000      0.6398000
  1 1 1      20  -14    4 o    3.746000      0.4997000       3.062000 0.7881000       4.430000      0.6145000      -1.368000      0.9993000
  1 1 1      20  -14    5 o    8.297000      0.2757000       8.732000 0.3670000       7.862000      0.4116000      0.8697000      0.5515000
  1 1 1      20  -14    6 o    7.369000      0.2960000       7.417000 0.3986000       7.321000      0.4375000      0.9608000E-01  0.5919000
  1 1 1      20  -14    7 o    5.796000      0.3422000       5.902000 0.4480000       5.691000      0.5174000      0.2114000      0.6844000
  1 1 1      20  -14    8 o    9.394000      0.2645000       9.695000 0.3546000       9.093000      0.3924000      0.6019000      0.5289000
  1 1 1      20  -14    9 f    7.925000      0.3042000       8.003000 0.4006000       7.847000      0.4579000      0.1567000      0.6084000
  1 1 1      20  -14   10 o    4.776000      0.4543000       4.976000 0.5751000       4.576000      0.7035000      0.4009000      0.9087000
  1 1 1      20  -14   11 o    7.684000      0.3108000       8.059000 0.3830000       7.308000      0.4895000      0.7512000      0.6216000
  1 1 1      20  -14   12 o    2.349000      0.6351000       2.009000 0.8147000       2.688000      0.9746000     -0.6783000       1.270000
  1 1 1      20  -14   13 o    2.494000      0.6162000       1.676000 0.7554000       3.311000      0.9738000      -1.635000       1.232000
  1 1 1      20  -14   14 o    1.824000      0.5669000       2.044000 0.8379000       1.604000      0.7639000      0.4404000       1.134000
  1 1 1      20  -14   15 o    4.141000      0.6159000       3.695000 0.8626000       4.587000      0.8793000     -0.8913000       1.232000
  1 1 1      20  -14   16 o    2.794000      0.7021000       2.673000 0.9656000       2.915000       1.020000     -0.2426000       1.404000
  1 1 1      20  -14   17 o    2.734000      0.6919000       2.686000 0.9343000       2.782000       1.021000     -0.9608000E-01   1.384000
  1 1 1      20  -14   18 o    2.012000      0.6124000       2.241000 0.8959000       1.784000      0.8351000      0.4571000       1.225000
  1 1 1      20  -14   19 f    2.635000      0.8214000       3.489000 1.420000       1.780000      0.8262000       1.709000       1.643000
  1 1 1      20  -13    0 o    2.308000      0.5552000       2.012000 0.7881000       2.604000      0.7823000     -0.5921000       1.110000
  1 1 1      20  -13    1 o    3.678000      0.4764000       4.041000 0.6646000       3.314000      0.6828000      0.7271000      0.9529000
  1 1 1      20  -13    2 o    5.985000      0.3130000       5.791000 0.4538000       6.178000      0.4313000     -0.3874000      0.6261000
  1 1 1      20  -13    3 o    3.035000      0.5312000       3.149000 0.7497000       2.921000      0.7527000      0.2281000       1.062000
  1 1 1      20  -13    4 o    5.784000      0.3115000       6.521000 0.3924000       5.047000      0.4840000       1.474000      0.6231000
  1 1 1      20  -13    5 o    11.79000      0.2472000       11.95000 0.3445000       11.63000      0.3545000      0.3123000      0.4943000
  1 1 1      20  -13    6 f    5.718000      0.3275000       5.204000 0.4689000       6.232000      0.4574000      -1.028000      0.6551000
  1 1 1      20  -13    7 o    5.566000      0.3277000       5.395000 0.4538000       5.738000      0.4729000     -0.3428000      0.6554000
  1 1 1      20  -13    8 o    7.521000      0.2769000       8.108000 0.3460000       6.934000      0.4325000       1.175000      0.5539000
  1 1 1      20  -13    9 o    4.418000      0.4702000       5.372000 0.4627000       3.464000      0.8187000       1.908000      0.9404000
  1 1 1      20  -13   10 o    4.558000      0.4685000       5.136000 0.5074000       3.981000      0.7878000       1.155000      0.9371000
  1 1 1      20  -13   11 o    5.196000      0.3998000       5.512000 0.4664000       4.880000      0.6495000      0.6315000      0.7996000
  1 1 1      20  -13   12 o    2.464000      0.6141000       2.365000 0.8186000       2.562000      0.9155000     -0.1969000       1.228000
  1 1 1      20  -13   13 o    3.784000      0.5751000       3.984000 0.6882000       3.583000      0.9217000      0.4010000       1.150000
  1 1 1      20  -13   14 o    8.834000      0.3592000       8.602000 0.3943000       9.067000      0.6006000     -0.4654000      0.7184000
  1 1 1      20  -13   15 o    4.797000      0.4872000       4.724000 0.6354000       4.870000      0.7386000     -0.1455000      0.9743000
  1 1 1      20  -13   16 o    6.726000      0.4412000       6.955000 0.5125000       6.496000      0.7182000      0.4583000      0.8823000
  1 1 1      20  -13   17 o    6.166000      0.4884000       6.228000 0.6297000       6.104000      0.7468000      0.1249000      0.9768000
  1 1 1      20  -13   18 o    2.424000      0.6871000       2.168000 0.9056000       2.680000       1.034000     -0.5128000       1.374000
  1 1 1      20  -13   19 o    2.290000      0.6500000       1.736000 0.7937000       2.843000       1.029000      -1.107000       1.300000
  1 1 1      20  -13   20 o    3.171000      0.6929000       2.685000 0.9059000       3.657000       1.049000     -0.9715000       1.386000
  1 1 1      20  -12    0 o    4.803000      0.3559000       5.041000 0.4974000       4.566000      0.5092000      0.4752000      0.7118000
  1 1 1      20  -12    1 o    7.989000      0.2606000       8.008000 0.3657000       7.970000      0.3714000      0.3867000E-01  0.5212000
  1 1 1      20  -12    2 o    5.451000      0.3082000       5.570000 0.4458000       5.332000      0.4257000      0.2380000      0.6164000
  1 1 1      20  -12    3 o    1.988000      0.5161000       1.583000 0.6870000       2.392000      0.7702000     -0.8088000       1.032000
  1 1 1      20  -12    4 o    11.18000      0.2398000       11.30000 0.3353000       11.06000      0.3429000      0.2383000      0.4796000
  1 1 1      20  -12    5 o    5.476000      0.3038000       5.601000 0.4191000       5.351000      0.4398000      0.2500000      0.6075000
  1 1 1      20  -12    6 o    4.249000      0.3833000       3.992000 0.5702000       4.506000      0.5124000     -0.5147000      0.7667000
  1 1 1      20  -12    7 o    11.93000      0.2421000       12.37000 0.3332000       11.49000      0.3512000      0.8844000      0.4841000
  1 1 1      20  -12    8 f    7.985000      0.2561000       8.377000 0.3425000       7.592000      0.3810000      0.7842000      0.5123000
  1 1 1      20  -12    9 o    4.959000      0.3564000       5.737000 0.4085000       4.181000      0.5842000       1.556000      0.7128000
  1 1 1      20  -12   10 o    5.386000      0.3431000       5.457000 0.4396000       5.315000      0.5269000      0.1422000      0.6862000
  1 1 1      20  -12   11 o    7.024000      0.3096000       7.207000 0.3868000       6.841000      0.4837000      0.3660000      0.6193000
  1 1 1      20  -12   12 o    10.42000      0.2603000       10.57000 0.3406000       10.27000      0.3938000      0.3023000      0.5206000
  1 1 1      20  -12   13 o    6.056000      0.3617000       6.212000 0.4329000       5.900000      0.5795000      0.3119000      0.7234000
  1 1 1      20  -12   14 o    9.588000      0.3655000       9.579000 0.4602000       9.597000      0.5678000     -0.1874000E-01  0.7309000
  1 1 1      20  -12   15 o    4.667000      0.5456000       4.239000 0.7174000       5.095000      0.8222000     -0.8556000       1.091000
  1 1 1      20  -12   16 o    5.131000      0.5382000       4.175000 0.7748000       6.088000      0.7472000      -1.913000       1.076000
  1 1 1      20  -12   17 o    3.026000      0.7800000       2.575000 1.190000       3.478000       1.008000     -0.9035000       1.560000
  1 1 1      20  -12   18 o    4.181000      0.5801000       4.484000 0.6514000       3.877000      0.9600000      0.6071000       1.160000
  1 1 1      20  -12   19 o    3.189000      0.7829000       3.440000 0.8650000       2.938000       1.305000      0.5024000       1.566000
  1 1 1      20  -12   20 o    3.065000      0.9157000       3.356000 1.346000       2.774000       1.241000      0.5814000       1.831000
  1 1 1      20  -12   21 f    3.057000      0.8524000       2.956000 1.206000       3.159000       1.205000     -0.2036000       1.705000
  1 1 1      20  -11    0 o    3.266000      0.4932000       2.631000 0.7717000       3.901000      0.6144000      -1.270000      0.9865000
  1 1 1      20  -11    1 o    6.140000      0.2945000       6.179000 0.4157000       6.101000      0.4174000      0.7837000E-01  0.5891000
  1 1 1      20  -11    2 o    2.047000      0.5236000       2.422000 0.7738000       1.671000      0.7055000      0.7511000       1.047000
  1 1 1      20  -11    3 o    1.902000      0.4996000       1.554000 0.6877000       2.250000      0.7248000     -0.6966000      0.9991000
  1 1 1      20  -11    4 o    10.82000      0.2364000       11.19000 0.3340000       10.44000      0.3346000      0.7488000      0.4728000
  1 1 1      20  -11    5 o    2.290000      0.4953000       1.762000 0.7238000       2.819000      0.6762000      -1.057000      0.9905000
  1 1 1      20  -11    6 o    4.195000      0.3649000       3.907000 0.5540000       4.484000      0.4750000     -0.5779000      0.7298000
  1 1 1      20  -11    7 o    9.267000      0.2299000       9.680000 0.3200000       8.855000      0.3302000      0.8255000      0.4598000
  1 1 1      20  -11    8 o    4.118000      0.3712000       4.189000 0.4983000       4.048000      0.5503000      0.1417000      0.7424000
  1 1 1      20  -11    9 o    4.548000      0.3441000       4.503000 0.4747000       4.592000      0.4984000     -0.8869000E-01  0.6883000
  1 1 1      20  -11   10 o    3.760000      0.4289000       3.848000 0.5778000       3.672000      0.6341000      0.1766000      0.8578000
  1 1 1      20  -11   11 o    2.620000      0.6856000       2.810000 0.9187000       2.431000       1.018000      0.3792000       1.371000
  1 1 1      20  -11   12 o    9.001000      0.3920000       9.597000 0.4821000       8.406000      0.6182000       1.191000      0.7840000
  1 1 1      20  -11   13 o    7.305000      0.3712000       6.912000 0.3417000       7.698000      0.6591000     -0.7863000      0.7424000
  1 1 1      20  -11   14 o    6.198000      0.3648000       6.766000 0.4159000       5.630000      0.5995000       1.137000      0.7296000
  1 1 1      20  -11   15 o    1.891000      0.5677000       1.981000 0.7891000       1.800000      0.8164000      0.1810000       1.135000
  1 1 1      20  -11   16 o    4.203000      0.7232000       5.894000 0.9383000       2.512000       1.101000       3.382000       1.446000
  1 1 1      20  -11   17 o    3.543000      0.9738000       3.332000 1.317000       3.755000       1.435000     -0.4227000       1.948000
  1 1 1      20  -11   18 o    3.806000      0.9908000       4.069000 1.393000       3.542000       1.410000      0.5274000       1.982000
  1 1 1      20  -11   19 o    2.331000      0.6286000       1.836000 0.8047000       2.827000      0.9660000     -0.9907000       1.257000
  1 1 1      20  -11   20 o    6.587000      0.4076000       6.782000 0.4944000       6.391000      0.6482000      0.3918000      0.8152000
  1 1 1      20  -11   21 o    3.612000      0.6141000       3.443000 0.8999000       3.782000      0.8358000     -0.3388000       1.228000
  1 1 1      20  -11   22 o    2.583000      0.6031000       2.280000 0.8349000       2.887000      0.8705000     -0.6065000       1.206000
  1 1 1      20  -11   23 o    1.977000      0.6137000       2.349000 0.9901000       1.605000      0.7254000      0.7442000       1.227000
  1 1 1      20  -10    0 o    6.116000      0.2985000       5.726000 0.4435000       6.506000      0.3995000     -0.7795000      0.5969000
  1 1 1      20  -10    1 o    6.028000      0.2940000       5.707000 0.4446000       6.350000      0.3848000     -0.6438000      0.5880000
  1 1 1      20  -10    2 o    3.127000      0.4824000       3.100000 0.7115000       3.154000      0.6516000     -0.5345000E-01  0.9648000
  1 1 1      20  -10    3 o    2.595000      0.4774000       3.421000 0.6374000       1.769000      0.7108000       1.652000      0.9548000
  1 1 1      20  -10    4 o    5.348000      0.2974000       5.061000 0.4357000       5.635000      0.4050000     -0.5739000      0.5948000
  1 1 1      20  -10    5 o    3.463000      0.4308000       4.125000 0.5260000       2.801000      0.6825000       1.324000      0.8617000
  1 1 1      20  -10    6 o    5.542000      0.2865000       5.622000 0.4073000       5.462000      0.4032000      0.1599000      0.5731000
  1 1 1      20  -10    7 o    5.966000      0.2639000       5.770000 0.3846000       6.162000      0.3614000     -0.3914000      0.5277000
  1 1 1      20  -10    8 o    1.284000      0.4191000       1.326000 0.6108000       1.242000      0.5741000      0.8412000E-01  0.8382000
  1 1 1      20  -10    9 o    5.091000      0.5436000       5.589000 0.5985000       4.593000      0.9076000      0.9954000       1.087000
  1 1 1      20  -10   10 o    4.812000      0.5523000       5.049000 0.6014000       4.576000      0.9266000      0.4727000       1.105000
  1 1 1      20  -10   11 o    2.336000      0.4743000       1.556000 0.6680000       3.116000      0.6737000      -1.560000      0.9487000
  1 1 1      20  -10   12 o    4.254000      0.3974000       4.574000 0.4770000       3.935000      0.6357000      0.6396000      0.7948000
  1 1 1      20  -10   13 o    6.700000      0.4123000       7.486000 0.5257000       5.915000      0.6353000       1.571000      0.8246000
  1 1 1      20  -10   14 o    2.446000      0.6769000       2.436000 0.9358000       2.456000      0.9782000     -0.1956000E-01   1.354000
  1 1 1      20  -10   15 o    2.630000      0.7559000       2.629000 1.039000       2.631000       1.099000     -0.2033000E-02   1.512000
  1 1 1      20  -10   16 o    5.815000      0.3777000       6.267000 0.4165000       5.363000      0.6303000      0.9036000      0.7555000
  1 1 1      20  -10   17 o    3.604000      0.5533000       3.526000 0.7090000       3.681000      0.8496000     -0.1543000       1.107000
  1 1 1      20  -10   18 o    2.765000      0.5280000       1.473000 0.6806000       4.057000      0.8073000      -2.584000       1.056000
  1 1 1      20  -10   19 o    4.791000      0.5150000       4.952000 0.6143000       4.629000      0.8268000      0.3228000       1.030000
  1 1 1      20  -10   20 o    4.525000      0.5233000       4.098000 0.6808000       4.951000      0.7948000     -0.8525000       1.047000
  1 1 1      20  -10   21 o    3.460000      0.6583000       2.954000 0.9188000       3.967000      0.9431000      -1.013000       1.317000
  1 1 1      20  -10   22 o    2.674000      0.5961000       2.355000 0.8334000       2.993000      0.8524000     -0.6373000       1.192000
  1 1 1      20  -10   23 o    1.638000      0.5081000       1.751000 0.7426000       1.525000      0.6935000      0.2260000       1.016000
  1 1 1      20  -10   24 o    2.388000      0.5597000       2.524000 0.7965000       2.253000      0.7865000      0.2707000       1.119000
  1 1 1      20   -9    0 o    6.441000      0.2817000       6.215000 0.4054000       6.667000      0.3913000     -0.4526000      0.5635000
  1 1 1      20   -9    1 o    7.247000      0.2629000       7.162000 0.3783000       7.333000      0.3652000     -0.1701000      0.5258000
  1 1 1      20   -9    2 o    5.652000      0.3041000       5.609000 0.4444000       5.695000      0.4151000     -0.8645000E-01  0.6081000
  1 1 1      20   -9    3 o    9.797000      0.2383000       9.939000 0.3386000       9.654000      0.3353000      0.2846000      0.4765000
  1 1 1      20   -9    4 o    4.532000      0.3429000       4.392000 0.5323000       4.672000      0.4323000     -0.2793000      0.6857000
  1 1 1      20   -9    5 o    5.465000      0.2936000       5.416000 0.4184000       5.514000      0.4121000     -0.9785000E-01  0.5873000
  1 1 1      20   -9    6 o    6.724000      0.2527000       6.761000 0.3651000       6.687000      0.3496000      0.7429000E-01  0.5055000
  1 1 1      20   -9    7 o    5.818000      0.4767000       5.807000 0.5402000       5.830000      0.7854000     -0.2293000E-01  0.9533000
  1 1 1      20   -9    8 o    3.901000      0.6303000       4.515000 0.7247000       3.288000       1.031000       1.227000       1.261000
  1 1 1      20   -9    9 o    4.195000      0.3240000       4.069000 0.4748000       4.321000      0.4409000     -0.2516000      0.6480000
  1 1 1      20   -9   10 o    3.038000      0.4462000       3.017000 0.6478000       3.059000      0.6138000     -0.4173000E-01  0.8925000
  1 1 1      20   -9   11 o    4.458000      0.4082000       4.188000 0.6524000       4.727000      0.4909000     -0.5393000      0.8165000
  1 1 1      20   -9   12 f    8.731000      0.2858000       9.059000 0.4085000       8.402000      0.4000000      0.6570000      0.5717000
  1 1 1      20   -9   13 o    5.061000      0.3326000       5.093000 0.4120000       5.029000      0.5223000      0.6406000E-01  0.6653000
  1 1 1      20   -9   14 o    1.907000      0.4721000       2.544000 0.7175000       1.271000      0.6136000       1.273000      0.9441000
  1 1 1      20   -9   15 o    3.715000      0.4916000       3.932000 0.5483000       3.498000      0.8160000      0.4344000      0.9831000
  1 1 1      20   -9   16 o    5.289000      0.3714000       4.805000 0.4913000       5.774000      0.5570000     -0.9686000      0.7427000
  1 1 1      20   -9   17 o    9.553000      0.3446000       9.422000 0.4321000       9.685000      0.5370000     -0.2626000      0.6892000
  1 1 1      20   -9   18 o    6.388000      0.3663000       6.871000 0.4142000       5.904000      0.6043000      0.9667000      0.7326000
  1 1 1      20   -9   19 o    2.153000      0.5910000       2.383000 0.8130000       1.923000      0.8580000      0.4602000       1.182000
  1 1 1      20   -9   20 f    2.927000      0.5821000       3.370000 0.7241000       2.484000      0.9116000      0.8860000       1.164000
  1 1 1      20   -9   21 o    6.777000      0.3650000       6.586000 0.4641000       6.969000      0.5636000     -0.3824000      0.7301000
  1 1 1      20   -9   22 o    3.392000      0.5282000       3.831000 0.6469000       2.954000      0.8352000      0.8770000       1.056000
  1 1 1      20   -9   23 o    2.367000      0.7930000       2.367000 0.7930000                  ?              ?              ?              ?
  1 1 1      20   -9   24 o    4.446000      0.3597000       4.526000 0.4903000       4.365000      0.5264000      0.1611000      0.7194000
  1 1 1      20   -8    0 o    10.45000      0.2445000       10.61000 0.3440000       10.29000      0.3476000      0.3151000      0.4890000
  1 1 1      20   -8    1 o    5.564000      0.2967000       5.672000 0.4154000       5.456000      0.4238000      0.2157000      0.5935000
  1 1 1      20   -8    2 o    6.217000      0.2757000       6.813000 0.3793000       5.621000      0.4002000       1.192000      0.5514000
  1 1 1      20   -8    3 o    6.474000      0.2645000       6.447000 0.3810000       6.501000      0.3669000     -0.5392000E-01  0.5289000
  1 1 1      20   -8    4 o    5.062000      0.3056000       5.141000 0.4413000       4.984000      0.4230000      0.1566000      0.6113000
  1 1 1      20   -8    5 o    5.246000      0.5502000       5.270000 0.6186000       5.222000      0.9100000      0.4880000E-01   1.100000
  1 1 1      20   -8    6 o    5.294000      0.5336000       5.848000 0.5629000       4.740000      0.9067000       1.109000       1.067000
  1 1 1      20   -8    7 o    7.618000      0.2291000       7.696000 0.3244000       7.540000      0.3235000      0.1565000      0.4581000
  1 1 1      20   -8    8 o    1.957000      0.4436000       1.277000 0.5917000       2.636000      0.6612000      -1.359000      0.8873000
  1 1 1      20   -8    9 o    2.020000      0.5183000       1.813000 0.7426000       2.227000      0.7233000     -0.4139000       1.037000
  1 1 1      20   -8   10 o    3.859000      0.3942000       3.699000 0.6266000       4.019000      0.4784000     -0.3202000      0.7884000
  1 1 1      20   -8   11 o    1.395000      0.4340000       1.436000 0.6231000       1.353000      0.6044000      0.8326000E-01  0.8681000
  1 1 1      20   -8   12 o    6.840000      0.2264000       6.924000 0.3067000       6.756000      0.3331000      0.1682000      0.4528000
  1 1 1      20   -8   13 o    6.283000      0.2417000       6.836000 0.3003000       5.729000      0.3787000       1.108000      0.4834000
  1 1 1      20   -8   14 f    3.795000      0.4190000       4.350000 0.4662000       3.241000      0.6964000       1.109000      0.8380000
  1 1 1      20   -8   15 o    8.227000      0.2370000       8.382000 0.3054000       8.071000      0.3625000      0.3111000      0.4740000
  1 1 1      20   -8   16 o    6.527000      0.3103000       6.446000 0.3775000       6.609000      0.4927000     -0.1635000      0.6207000
  1 1 1      20   -8   17 o    3.547000      0.5190000       3.754000 0.5748000       3.339000      0.8642000      0.4144000       1.038000
  1 1 1      20   -8   18 o    6.156000      0.3470000       6.262000 0.4127000       6.051000      0.5579000      0.2117000      0.6940000
  1 1 1      20   -8   19 o    1.824000      0.5487000       1.937000 0.7690000       1.711000      0.7830000      0.2254000       1.097000
  1 1 1      20   -8   20 o    2.777000      0.5659000       3.290000 0.7027000       2.263000      0.8873000       1.027000       1.132000
  1 1 1      20   -8   21 o    2.346000      0.5828000       2.427000 0.7797000       2.264000      0.8665000      0.1624000       1.166000
  1 1 1      20   -8   22 o    3.771000      0.4637000       4.350000 0.5084000       3.191000      0.7757000       1.159000      0.9274000
  1 1 1      20   -8   23 o    3.263000      0.4602000       3.549000 0.5797000       2.976000      0.7149000      0.5734000      0.9204000
  1 1 1      20   -8   24 o    4.525000      0.3386000       4.133000 0.5056000       4.917000      0.4506000     -0.7835000      0.6772000
  1 1 1      20   -8   25 o    2.768000      0.4903000       2.423000 0.7645000       3.113000      0.6142000     -0.6902000      0.9807000
  1 1 1      20   -8   26 o    3.475000      0.6196000       3.095000 0.8983000       3.855000      0.8536000     -0.7597000       1.239000
  1 1 1      20   -7    0 o    2.152000      0.5303000       1.931000 0.7494000       2.373000      0.7507000     -0.4420000       1.061000
  1 1 1      20   -7    1 o    14.86000      0.2638000       15.03000 0.3714000       14.69000      0.3747000      0.3381000      0.5275000
  1 1 1      20   -7    2 o    4.894000      0.3208000       5.021000 0.4694000       4.767000      0.4373000      0.2540000      0.6416000
  1 1 1      20   -7    3 o    9.891000      0.3748000       10.38000 0.4635000       9.400000      0.5891000      0.9818000      0.7496000
  1 1 1      20   -7    4 o    7.025000      0.4144000       6.981000 0.5061000       7.070000      0.6563000     -0.8865000E-01  0.8287000
  1 1 1      20   -7    5 o    12.35000      0.2344000       12.52000 0.3294000       12.19000      0.3334000      0.3332000      0.4687000
  1 1 1      20   -7    6 o    4.100000      0.3334000       4.195000 0.4865000       4.005000      0.4560000      0.1906000      0.6668000
  1 1 1      20   -7    7 o    3.732000      0.4530000       3.422000 0.7708000       4.043000      0.4761000     -0.6204000      0.9060000
  1 1 1      20   -7    8 o    7.187000      0.2806000       6.955000 0.4299000       7.418000      0.3607000     -0.4630000      0.5612000
  1 1 1      20   -7    9 o    6.262000      0.2317000       6.299000 0.3247000       6.224000      0.3306000      0.7543000E-01  0.4634000
  1 1 1      20   -7   10 o    5.530000      0.2406000       5.367000 0.3452000       5.694000      0.3352000     -0.3271000      0.4812000
  1 1 1      20   -7   11 o    5.863000      0.2262000       6.151000 0.3157000       5.575000      0.3242000      0.5755000      0.4525000
  1 1 1      20   -7   12 o    10.57000      0.2081000       10.31000 0.2839000       10.82000      0.3045000     -0.5137000      0.4163000
  1 1 1      20   -7   13 o    1.896000      0.4834000       1.959000 0.6847000       1.833000      0.6826000      0.1256000      0.9668000
  1 1 1      20   -7   14 o    2.801000      0.4534000       2.845000 0.5995000       2.757000      0.6804000      0.8772000E-01  0.9069000
  1 1 1      20   -7   15 o    3.866000      0.3772000       3.688000 0.4923000       4.043000      0.5716000     -0.3549000      0.7544000
  1 1 1      20   -7   16 o    2.892000      0.4950000       3.133000 0.5769000       2.651000      0.8046000      0.4821000      0.9901000
  1 1 1      20   -7   17 o    6.823000      0.3607000       7.201000 0.3444000       6.444000      0.6340000      0.7567000      0.7215000
  1 1 1      20   -7   18 o    6.952000      0.3610000       6.470000 0.4416000       7.435000      0.5713000     -0.9651000      0.7221000
  1 1 1      20   -7   19 o    5.665000      0.3759000       6.086000 0.4189000       5.243000      0.6242000      0.8436000      0.7518000
  1 1 1      20   -7   20 o    3.793000      0.5061000       3.658000 0.6462000       3.928000      0.7791000     -0.2701000       1.012000
  1 1 1      20   -7   21 o    3.309000      0.5210000       4.026000 0.5574000       2.591000      0.8804000       1.435000       1.042000
  1 1 1      20   -7   22 o    2.591000      0.5263000       2.627000 0.6962000       2.556000      0.7894000      0.7033000E-01   1.053000
  1 1 1      20   -7   23 o    2.142000      0.5060000       2.437000 0.7038000       1.848000      0.7272000      0.5885000       1.012000
  1 1 1      20   -7   24 o    1.531000      0.4541000       1.812000 0.6934000       1.250000      0.5866000      0.5618000      0.9083000
  1 1 1      20   -7   25 o    4.524000      0.3019000       4.184000 0.4612000       4.865000      0.3896000     -0.6813000      0.6037000
  1 1 1      20   -7   26 o    4.097000      0.4169000       3.727000 0.5322000       4.467000      0.6418000     -0.7393000      0.8337000
  1 1 1      20   -6    0 o    5.238000      0.3076000       5.200000 0.4527000       5.276000      0.4166000     -0.7600000E-01  0.6152000
  1 1 1      20   -6    1 o    17.84000      0.2857000       17.80000 0.4025000       17.88000      0.4056000     -0.7660000E-01  0.5715000
  1 1 1      20   -6    2 o    5.346000      0.5033000       5.412000 0.5886000       5.280000      0.8166000      0.1319000       1.007000
  1 1 1      20   -6    3 o    12.57000      0.2373000       12.31000 0.3333000       12.82000      0.3379000     -0.5090000      0.4746000
  1 1 1      20   -6    4 o    6.969000      0.2450000       7.273000 0.3493000       6.664000      0.3436000      0.6085000      0.4899000
  1 1 1      20   -6    5 o    8.723000      0.2958000       8.590000 0.4473000       8.857000      0.3871000     -0.2671000      0.5915000
  1 1 1      20   -6    6 o    3.482000      0.4646000       2.595000 0.8075000       4.370000      0.4598000      -1.775000      0.9292000
  1 1 1      20   -6    7 o    7.382000      0.2250000       7.281000 0.3214000       7.483000      0.3150000     -0.2027000      0.4500000
  1 1 1      20   -6    8 o    12.51000      0.2262000       12.68000 0.3185000       12.35000      0.3213000      0.3284000      0.4524000
  1 1 1      20   -6    9 f    7.989000      0.2713000       7.668000 0.4615000       8.309000      0.2855000     -0.6415000      0.5426000
  1 1 1      20   -6   10 o    2.441000      0.4480000       2.594000 0.6451000       2.287000      0.6217000      0.3064000      0.8959000
  1 1 1      20   -6   11 o    7.447000      0.2043000       7.750000 0.2877000       7.144000      0.2900000      0.6053000      0.4085000
  1 1 1      20   -6   12 o    1.711000      0.4100000       1.166000 0.5370000       2.257000      0.6198000      -1.091000      0.8200000
  1 1 1      20   -6   13 o    7.952000      0.2023000       7.856000 0.2826000       8.049000      0.2895000     -0.1925000      0.4045000
  1 1 1      20   -6   14 o    12.98000      0.2177000       13.30000 0.3044000       12.66000      0.3112000      0.6372000      0.4353000
  1 1 1      20   -6   15 o    5.458000      0.2562000       5.500000 0.3262000       5.417000      0.3951000      0.8292000E-01  0.5124000
  1 1 1      20   -6   16 o    5.294000      0.2742000       5.358000 0.3402000       5.231000      0.4301000      0.1271000      0.5484000
  1 1 1      20   -6   17 o    7.500000      0.3104000       7.303000 0.3182000       7.697000      0.5331000     -0.3944000      0.6208000
  1 1 1      20   -6   18 o    2.502000      0.5178000       3.072000 0.6531000       1.931000      0.8036000       1.140000       1.036000
  1 1 1      20   -6   19 o    7.339000      0.3398000       6.992000 0.4294000       7.685000      0.5269000     -0.6934000      0.6796000
  1 1 1      20   -6   20 o    6.983000      0.3343000       6.608000 0.4319000       7.357000      0.5103000     -0.7494000      0.6685000
  1 1 1      20   -6   21 o    3.906000      0.4661000       4.777000 0.4495000       3.034000      0.8168000       1.743000      0.9323000
  1 1 1      20   -6   22 o    4.249000      0.3508000       4.143000 0.4762000       4.356000      0.5151000     -0.2128000      0.7015000
  1 1 1      20   -6   23 f    2.815000      0.4720000       2.818000 0.6389000       2.813000      0.6950000      0.4863000E-02  0.9440000
  1 1 1      20   -6   24 o    4.313000      0.5812000       4.313000 0.5812000                  ?              ?              ?              ?
  1 1 1      20   -6   25 o    2.231000      0.5949000       2.165000 0.8326000       2.297000      0.8500000     -0.1315000       1.190000
  1 1 1      20   -6   26 o    1.936000      0.5359000       1.446000 0.6772000       2.426000      0.8307000     -0.9804000       1.072000
  1 1 1      20   -6   27 o    1.484000      0.4162000       1.053000 0.5102000       1.915000      0.6578000     -0.8618000      0.8324000
  1 1 1      20   -5    0 o    8.983000      0.3215000       8.720000 0.4697000       9.246000      0.4392000     -0.5259000      0.6430000
  1 1 1      20   -5    1 o    15.77000      0.3678000       16.16000 0.5330000       15.39000      0.5070000      0.7695000      0.7356000
  1 1 1      20   -5    2 o    10.83000      0.2225000       10.87000 0.3301000       10.79000      0.2986000      0.7735000E-01  0.4451000
  1 1 1      20   -5    3 o    11.51000      0.2651000       11.72000 0.3346000       11.29000      0.4112000      0.4304000      0.5301000
  1 1 1      20   -5    4 o    2.803000      0.5403000       3.156000 0.8324000       2.449000      0.6891000      0.7069000       1.081000
  1 1 1      20   -5    5 o    2.609000      0.4646000       2.399000 0.7009000       2.819000      0.6101000     -0.4205000      0.9292000
  1 1 1      20   -5    6 o    5.194000      0.2647000       5.145000 0.3860000       5.242000      0.3623000     -0.9753000E-01  0.5294000
  1 1 1      20   -5    7 o    4.836000      0.2751000       4.913000 0.3908000       4.760000      0.3873000      0.1531000      0.5502000
  1 1 1      20   -5    8 o    5.411000      0.2511000       5.259000 0.3670000       5.563000      0.3429000     -0.3038000      0.5023000
  1 1 1      20   -5    9 o    6.093000      0.2250000       6.124000 0.3199000       6.063000      0.3166000      0.6058000E-01  0.4500000
  1 1 1      20   -5   10 o    7.353000      0.2118000       7.278000 0.2980000       7.429000      0.3011000     -0.1517000      0.4237000
  1 1 1      20   -5   11 f    9.005000      0.1982000       8.883000 0.2809000       9.126000      0.2799000     -0.2429000      0.3965000
  1 1 1      20   -5   12 o    12.00000      0.2143000       12.30000 0.2971000       11.69000      0.3090000      0.6113000      0.4287000
  1 1 1      20   -5   13 o    14.91000      0.2345000       15.20000 0.3302000       14.62000      0.3331000      0.5763000      0.4690000
  1 1 1      20   -5   14 o    4.883000      0.2431000       5.051000 0.3234000       4.715000      0.3629000      0.3366000      0.4861000
  1 1 1      20   -5   15 o    10.98000      0.2019000       11.07000 0.2758000       10.89000      0.2950000      0.1758000      0.4039000
  1 1 1      20   -5   16 o    10.81000      0.2112000       10.86000 0.2836000       10.77000      0.3130000      0.8377000E-01  0.4224000
  1 1 1      20   -5   17 f    5.048000      0.2899000       4.916000 0.3618000       5.180000      0.4531000     -0.2645000      0.5798000
  1 1 1      20   -5   18 o    2.794000      0.5231000       2.384000 0.7019000       3.205000      0.7759000     -0.8217000       1.046000
  1 1 1      20   -5   19 o    1.848000      0.5039000       2.272000 0.7550000       1.423000      0.6675000      0.8487000       1.008000
  1 1 1      20   -5   20 o    2.875000      0.5591000       3.184000 0.6798000       2.565000      0.8879000      0.6189000       1.118000
  1 1 1      20   -5   21 o    4.351000      0.4356000       4.285000 0.5381000       4.418000      0.6852000     -0.1329000      0.8712000
  1 1 1      20   -5   22 o    2.594000      0.5701000       2.901000 0.7375000       2.287000      0.8697000      0.6139000       1.140000
  1 1 1      20   -5   23 o    6.567000      0.2182000       6.961000 0.2778000       6.173000      0.3365000      0.7875000      0.4364000
  1 1 1      20   -5   24 o    1.610000      0.6313000       1.610000 0.6313000                  ?              ?              ?              ?
  1 1 1      20   -5   25 o    2.094000      0.4670000       1.780000 0.6346000       2.407000      0.6854000     -0.6273000      0.9341000
  1 1 1      20   -5   26 o    1.370000      0.6129000                  ?       ?   1.370000      0.6129000                  ?              ?
  1 1 1      20   -5   27 o    1.789000      0.5155000       2.091000 0.7968000       1.487000      0.6543000      0.6040000       1.031000
  1 1 1      20   -5   28 o    2.918000      0.4529000       3.349000 0.4055000       2.488000      0.8100000      0.8610000      0.9058000
  1 1 1      20   -4    0 o    5.936000      0.2433000       5.982000 0.3847000       5.890000      0.2979000      0.9189000E-01  0.4865000
  1 1 1      20   -4    1 o    5.424000      0.2682000       5.275000 0.4226000       5.573000      0.3305000     -0.2977000      0.5365000
  1 1 1      20   -4    2 o    3.216000      0.5207000       2.480000 0.8853000       3.952000      0.5485000      -1.472000       1.041000
  1 1 1      20   -4    3 o    2.881000      0.5493000       2.370000 0.8721000       3.392000      0.6682000      -1.022000       1.099000
  1 1 1      20   -4    4 o    1.766000      0.4731000       2.023000 0.7207000       1.509000      0.6132000      0.5139000      0.9462000
  1 1 1      20   -4    5 o    9.028000      0.2099000       8.664000 0.3127000       9.391000      0.2801000     -0.7267000      0.4198000
  1 1 1      20   -4    6 o    1.877000      0.4433000       1.635000 0.6623000       2.119000      0.5894000     -0.4842000      0.8865000
  1 1 1      20   -4    7 o    7.657000      0.2343000       7.712000 0.3058000       7.602000      0.3551000      0.1101000      0.4686000
  1 1 1      20   -4    8 o    15.75000      0.2502000       15.80000 0.3513000       15.71000      0.3564000      0.9104000E-01  0.5004000
  1 1 1      20   -4    9 o    4.611000      0.2644000       4.629000 0.3817000       4.594000      0.3660000      0.3553000E-01  0.5289000
  1 1 1      20   -4   10 o    17.66000      0.2672000       17.99000 0.3796000       17.33000      0.3763000      0.6632000      0.5345000
  1 1 1      20   -4   11 o    11.61000      0.2092000       11.61000 0.2936000       11.61000      0.2982000     -0.9146000E-03  0.4184000
  1 1 1      20   -4   12 o    15.76000      0.2449000       15.81000 0.3429000       15.71000      0.3497000      0.9412000E-01  0.4898000
  1 1 1      20   -4   13 o    10.05000      0.1962000       10.11000 0.2706000       10.00000      0.2841000      0.1058000      0.3924000
  1 1 1      20   -4   14 o    13.44000      0.2194000       13.66000 0.3069000       13.22000      0.3136000      0.4399000      0.4387000
  1 1 1      20   -4   15 o    9.008000      0.1900000       8.943000 0.2604000       9.072000      0.2767000     -0.1288000      0.3800000
  1 1 1      20   -4   16 o    9.876000      0.1945000       9.890000 0.2591000       9.862000      0.2902000      0.2776000E-01  0.3891000
  1 1 1      20   -4   17 o    6.710000      0.2295000       6.796000 0.2877000       6.624000      0.3575000      0.1721000      0.4589000
  1 1 1      20   -4   18 o    1.941000      0.5608000       1.809000 0.7319000       2.073000      0.8498000     -0.2635000       1.122000
  1 1 1      20   -4   19 f    4.861000      0.3976000       4.949000 0.4753000       4.773000      0.6375000      0.1758000      0.7952000
  1 1 1      20   -4   20 o    5.263000      0.3282000       5.498000 0.4107000       5.028000      0.5119000      0.4701000      0.6563000
  1 1 1      20   -4   21 o    1.908000      0.5216000       2.045000 0.7289000       1.771000      0.7462000      0.2738000       1.043000
  1 1 1      20   -4   22 o    2.036000      0.5019000       2.492000 0.6829000       1.581000      0.7358000      0.9109000       1.004000
  1 1 1      20   -4   23 o    7.097000      0.2561000       7.287000 0.3523000       6.907000      0.3718000      0.3793000      0.5122000
  1 1 1      20   -4   24 o    5.409000      0.2506000       5.518000 0.3639000       5.301000      0.3447000      0.2169000      0.5012000
  1 1 1      20   -4   25 o    4.370000      0.2297000       4.329000 0.3291000       4.411000      0.3205000     -0.8244000E-01  0.4594000
  1 1 1      20   -4   26 o    4.164000      0.2893000       4.751000 0.4300000       3.577000      0.3870000       1.174000      0.5785000
  1 1 1      20   -4   27 o    1.893000      0.4270000       2.185000 0.6177000       1.601000      0.5896000      0.5846000      0.8539000
  1 1 1      20   -4   28 o    4.288000      0.3181000       4.878000 0.3345000       3.697000      0.5411000       1.181000      0.6362000
  1 1 1      20   -3    0 o    6.431000      0.2472000       6.311000 0.3821000       6.552000      0.3138000     -0.2407000      0.4944000
  1 1 1      20   -3    1 o    1.691000      0.5265000       2.046000 0.8464000       1.336000      0.6264000      0.7096000       1.053000
  1 1 1      20   -3    2 o    4.719000      0.4500000       4.057000 0.7714000       5.380000      0.4635000      -1.323000      0.9000000
  1 1 1      20   -3    3 o    8.819000      0.2142000       9.301000 0.3186000       8.337000      0.2864000      0.9638000      0.4284000
  1 1 1      20   -3    4 o    8.944000      0.2116000       8.639000 0.3140000       9.250000      0.2838000     -0.6112000      0.4232000
  1 1 1      20   -3    5 o    8.300000      0.2071000       8.217000 0.3113000       8.383000      0.2732000     -0.1656000      0.4141000
  1 1 1      20   -3    6 o    7.020000      0.2099000       7.344000 0.3115000       6.696000      0.2815000      0.6475000      0.4198000
  1 1 1      20   -3    7 f    3.999000      0.2921000       3.977000 0.4615000       4.021000      0.3582000     -0.4356000E-01  0.5842000
  1 1 1      20   -3    8 o    15.18000      0.2388000       15.11000 0.3421000       15.26000      0.3332000     -0.1421000      0.4775000
  1 1 1      20   -3    9 o    3.589000      0.3004000       3.463000 0.4770000       3.715000      0.3652000     -0.2525000      0.6008000
  1 1 1      20   -3   10 o    18.59000      0.2726000       18.77000 0.3916000       18.41000      0.3793000      0.3595000      0.5451000
  1 1 1      20   -3   11 o    5.671000      0.2044000       5.466000 0.3141000       5.875000      0.2615000     -0.4087000      0.4087000
  1 1 1      20   -3   12 o    3.582000      0.3007000       3.516000 0.4231000       3.649000      0.4275000     -0.1337000      0.6014000
  1 1 1      20   -3   13 f    10.84000      0.2245000       10.65000 0.2764000       11.04000      0.3539000     -0.3926000      0.4490000
  1 1 1      20   -3   14 o    22.22000      0.3151000       22.47000 0.4474000       21.97000      0.4437000      0.5023000      0.6302000
  1 1 1      20   -3   15 o    1.841000      0.4198000       2.041000 0.5893000       1.642000      0.5980000      0.3993000      0.8396000
  1 1 1      20   -3   16 o    7.585000      0.3169000       7.653000 0.3997000       7.518000      0.4919000      0.1353000      0.6339000
  1 1 1      20   -3   17 o    8.059000      0.3037000       7.527000 0.3873000       8.591000      0.4680000      -1.064000      0.6075000
  1 1 1      20   -3   18 o    2.363000      0.4961000       2.270000 0.6492000       2.456000      0.7504000     -0.1866000      0.9923000
  1 1 1      20   -3   19 o    5.055000      0.3380000       5.729000 0.3555000       4.380000      0.5751000       1.349000      0.6761000
  1 1 1      20   -3   20 o    2.758000      0.7183000       3.641000 1.130000       1.875000      0.8866000       1.766000       1.437000
  1 1 1      20   -3   21 o    2.451000      0.6879000       2.889000 1.040000       2.013000      0.9004000      0.8766000       1.376000
  1 1 1      20   -3   22 o    2.278000      0.5014000       2.050000 0.6796000       2.507000      0.7373000     -0.4576000       1.003000
  1 1 1      20   -3   23 o    3.447000      0.3146000       3.763000 0.3618000       3.132000      0.5147000      0.6318000      0.6291000
  1 1 1      20   -3   24 o    2.201000      0.3822000       2.291000 0.5152000       2.111000      0.5647000      0.1804000      0.7645000
  1 1 1      20   -3   25 o    4.422000      0.2538000       4.719000 0.4039000       4.126000      0.3074000      0.5928000      0.5076000
  1 1 1      20   -3   26 o    2.445000      0.3703000       2.211000 0.5583000       2.679000      0.4864000     -0.4681000      0.7405000
  1 1 1      20   -3   27 o    3.095000      0.2921000       3.171000 0.4366000       3.019000      0.3881000      0.1517000      0.5841000
  1 1 1      20   -3   28 o    4.127000      0.2861000       4.419000 0.2995000       3.834000      0.4876000      0.5845000      0.5723000
  1 1 1      20   -3   29 o    3.494000      0.2588000       3.019000 0.4183000       3.970000      0.3050000     -0.9509000      0.5177000
  1 1 1      20   -2    0 o    13.60000      0.3456000       13.69000 0.5128000       13.50000      0.4634000      0.1968000      0.6911000
  1 1 1      20   -2    1 o    2.136000      0.5278000       1.581000 0.7363000       2.691000      0.7563000      -1.110000       1.056000
  1 1 1      20   -2    2 o    9.775000      0.2211000       9.478000 0.3284000       10.07000      0.2961000     -0.5935000      0.4422000
  1 1 1      20   -2    3 o    7.942000      0.2182000       7.983000 0.3263000       7.901000      0.2899000      0.8182000E-01  0.4365000
  1 1 1      20   -2    4 o    12.35000      0.2234000       12.13000 0.3217000       12.57000      0.3102000     -0.4367000      0.4468000
  1 1 1      20   -2    5 o    7.870000      0.2086000       8.070000 0.3124000       7.670000      0.2766000      0.3999000      0.4172000
  1 1 1      20   -2    6 o    9.325000      0.2039000       9.514000 0.3007000       9.137000      0.2757000      0.3767000      0.4079000
  1 1 1      20   -2    7 o    11.50000      0.2105000       11.40000 0.3025000       11.60000      0.2928000     -0.2044000      0.4210000
  1 1 1      20   -2    8 o    7.808000      0.1969000       7.799000 0.2920000       7.816000      0.2642000     -0.1682000E-01  0.3938000
  1 1 1      20   -2    9 o    10.27000      0.1974000       10.33000 0.2899000       10.20000      0.2680000      0.1356000      0.3948000
  1 1 1      20   -2   10 f    12.48000      0.2102000       12.76000 0.3075000       12.20000      0.2868000      0.5598000      0.4205000
  1 1 1      20   -2   11 o    12.62000      0.2092000       12.38000 0.3001000       12.86000      0.2915000     -0.4846000      0.4184000
  1 1 1      20   -2   12 o    6.960000      0.1838000       6.973000 0.2734000       6.948000      0.2456000      0.2567000E-01  0.3675000
  1 1 1      20   -2   13 o    19.75000      0.2827000       19.76000 0.4029000       19.73000      0.3967000      0.3495000E-01  0.5654000
  1 1 1      20   -2   14 o    20.68000      0.4204000       20.90000 0.6043000       20.46000      0.5848000      0.4420000      0.8409000
  1 1 1      20   -2   15 o    7.805000      0.2641000       7.838000 0.3915000       7.773000      0.3545000      0.6421000E-01  0.5281000
  1 1 1      20   -2   16 o    4.973000      0.1919000       4.648000 0.2941000       5.298000      0.2465000     -0.6499000      0.3837000
  1 1 1      20   -2   17 o    4.457000      0.2091000       4.749000 0.2947000       4.166000      0.2967000      0.5831000      0.4182000
  1 1 1      20   -2   18 o    10.01000      0.2568000       10.01000 0.3574000       10.01000      0.3688000      0.5409000E-02  0.5136000
  1 1 1      20   -2   19 o    5.294000      0.5318000       5.536000 0.5641000       5.052000      0.9016000      0.4831000       1.064000
  1 1 1      20   -2   20 o    4.480000      0.6377000       5.202000 0.8227000       3.758000      0.9746000       1.444000       1.275000
  1 1 1      20   -2   21 o    3.201000      0.5832000       3.267000 0.5534000       3.134000       1.027000      0.1323000       1.166000
  1 1 1      20   -2   22 o    8.040000      0.2979000       7.764000 0.3687000       8.317000      0.4679000     -0.5533000      0.5957000
  1 1 1      20   -2   23 o    1.838000      0.3972000       1.446000 0.5483000       2.230000      0.5749000     -0.7841000      0.7944000
  1 1 1      20   -2   24 o    6.011000      0.1875000       5.847000 0.2725000       6.176000      0.2576000     -0.3292000      0.3750000
  1 1 1      20   -2   25 o    5.183000      0.2475000       5.183000 0.2475000                  ?              ?              ?              ?
  1 1 1      20   -2   26 o    1.428000      0.3709000       1.215000 0.5164000       1.642000      0.5326000     -0.4266000      0.7419000
  1 1 1      20   -2   27 o    2.994000      0.4027000       2.724000 0.5841000       3.264000      0.5545000     -0.5396000      0.8054000
  1 1 1      20   -2   28 o    1.813000      0.3654000       1.950000 0.5241000       1.675000      0.5093000      0.2742000      0.7308000
  1 1 1      20   -2   29 o    1.196000      0.3684000       1.122000 0.4801000       1.269000      0.5589000     -0.1462000      0.7368000
  1 1 1      20   -1    0 o    8.470000      0.3283000       7.680000 0.5179000       9.260000      0.4037000      -1.580000      0.6566000
  1 1 1      20   -1    1 o    4.684000      0.3020000       4.152000 0.5017000       5.215000      0.3364000      -1.063000      0.6041000
  1 1 1      20   -1    2 f    11.04000      0.2202000       11.42000 0.3225000       10.66000      0.3000000      0.7596000      0.4405000
  1 1 1      20   -1    3 o    4.184000      0.3010000       3.936000 0.4755000       4.431000      0.3691000     -0.4950000      0.6019000
  1 1 1      20   -1    4 o    3.873000      0.3295000       3.367000 0.5533000       4.379000      0.3580000      -1.012000      0.6590000
  1 1 1      20   -1    5 o    8.918000      0.2087000       8.812000 0.3149000       9.024000      0.2739000     -0.2118000      0.4173000
  1 1 1      20   -1    6 o    5.393000      0.2454000       5.189000 0.3782000       5.596000      0.3128000     -0.4071000      0.4908000
  1 1 1      20   -1    7 o    11.47000      0.2100000       11.74000 0.3069000       11.20000      0.2868000      0.5382000      0.4200000
  1 1 1      20   -1    8 o    6.297000      0.2086000       6.319000 0.3151000       6.274000      0.2735000      0.4481000E-01  0.4172000
  1 1 1      20   -1    9 o    6.868000      0.1985000       6.773000 0.2978000       6.962000      0.2624000     -0.1888000      0.3969000
  1 1 1      20   -1   10 o    4.725000      0.2381000       5.129000 0.3407000       4.320000      0.3328000      0.8086000      0.4763000
  1 1 1      20   -1   11 f    14.41000      0.2262000       14.50000 0.3277000       14.33000      0.3118000      0.1739000      0.4524000
  1 1 1      20   -1   12 o    3.783000      0.2594000       3.547000 0.4196000       4.018000      0.3051000     -0.4712000      0.5188000
  1 1 1      20   -1   13 o    11.71000      0.2875000       11.61000 0.4128000       11.81000      0.4002000     -0.1968000      0.5750000
  1 1 1      20   -1   14 o    4.399000      0.3360000       4.172000 0.5279000       4.627000      0.4158000     -0.4553000      0.6720000
  1 1 1      20   -1   15 o    8.562000      0.1724000       8.436000 0.2522000       8.687000      0.2351000     -0.2508000      0.3448000
  1 1 1      20   -1   16 o    6.190000      0.1704000       6.257000 0.2496000       6.124000      0.2320000      0.1331000      0.3408000
  1 1 1      20   -1   17 o    12.56000      0.2651000       12.69000 0.3804000       12.42000      0.3693000      0.2625000      0.5302000
  1 1 1      20   -1   18 o    12.91000      0.1986000       12.87000 0.2824000       12.95000      0.2792000     -0.7826000E-01  0.3972000
  1 1 1      20   -1   19 o    4.497000      0.2225000       4.675000 0.2980000       4.319000      0.3304000      0.3560000      0.4450000
  1 1 1      20   -1   20 o    9.086000      0.2228000       8.690000 0.2851000       9.481000      0.3424000     -0.7902000      0.4455000
  1 1 1      20   -1   21 o    9.071000      0.2404000       9.143000 0.3511000       8.998000      0.3286000      0.1452000      0.4809000
  1 1 1      20   -1   22 o    2.354000      0.3947000       1.866000 0.6331000       2.843000      0.4714000     -0.9769000      0.7893000
  1 1 1      20   -1   23 o    7.271000      0.1474000       7.200000 0.2074000       7.343000      0.2096000     -0.1429000      0.2949000
  1 1 1      20   -1   24 o    4.205000      0.1631000       4.384000 0.2456000       4.025000      0.2146000      0.3595000      0.3261000
  1 1 1      20   -1   25 o    1.138000      0.4887000       1.138000 0.4887000                  ?              ?              ?              ?
  1 1 1      20   -1   26 o    5.004000      0.1546000       5.036000 0.2390000       4.972000      0.1960000      0.6337000E-01  0.3091000
  1 1 1      20    0    0 o    11.72000      0.2215000       11.85000 0.3167000       11.60000      0.3098000      0.2515000      0.4431000
  1 1 1      20    0    1 o    8.451000      0.2104000       8.471000 0.2985000       8.431000      0.2967000      0.3914000E-01  0.4208000
  1 1 1      20    0    2 o    12.32000      0.2179000       12.55000 0.3112000       12.08000      0.3051000      0.4765000      0.4358000
  1 1 1      20    0    3 o    5.127000      0.2580000       4.850000 0.3997000       5.403000      0.3262000     -0.5532000      0.5160000
  1 1 1      20    0    4 o    9.758000      0.2104000       9.637000 0.3082000       9.878000      0.2867000     -0.2411000      0.4209000
  1 1 1      20    0    5 o    8.748000      0.2054000       8.433000 0.3061000       9.062000      0.2741000     -0.6284000      0.4109000
  1 1 1      20    0    6 o    7.766000      0.2071000       7.558000 0.3164000       7.974000      0.2675000     -0.4167000      0.4143000
  1 1 1      20    0    7 o    7.589000      0.2019000       7.744000 0.2987000       7.434000      0.2717000      0.3100000      0.4038000
  1 1 1      20    0    8 o    4.926000      0.2384000       4.615000 0.3684000       5.237000      0.3027000     -0.6219000      0.4768000
  1 1 1      20    0    9 o    4.395000      0.2526000       4.033000 0.3987000       4.757000      0.3101000     -0.7237000      0.5051000
  1 1 1      20    0   10 o    10.41000      0.1966000       9.878000 0.2848000       10.94000      0.2711000      -1.062000      0.3932000
  1 1 1      20    0   11 o    12.56000      0.2088000       12.82000 0.3041000       12.30000      0.2864000      0.5270000      0.4177000
  1 1 1      20    0   12 o    2.658000      0.4852000       2.784000 0.6867000       2.531000      0.6856000      0.2532000      0.9704000
  1 1 1      20    0   13 o    6.297000      0.1956000       6.347000 0.2574000       6.246000      0.2947000      0.1010000      0.3913000
  1 1 1      20    0   14 o    9.077000      0.1771000       8.864000 0.2583000       9.291000      0.2424000     -0.4269000      0.3542000
  1 1 1      20    0   15 o    16.06000      0.3275000       15.91000 0.4642000       16.20000      0.4621000     -0.2896000      0.6550000
  1 1 1      20    0   16 o    6.640000      0.2147000       6.595000 0.3174000       6.685000      0.2893000     -0.9014000E-01  0.4295000
  1 1 1      20    0   17 o    5.137000      0.1740000       5.209000 0.2605000       5.065000      0.2307000      0.1444000      0.3480000
  1 1 1      20    0   18 o    3.229000      0.2348000       2.954000 0.3692000       3.503000      0.2904000     -0.5486000      0.4697000
  1 1 1      20    0   19 o    9.579000      0.1705000       9.442000 0.2384000       9.717000      0.2440000     -0.2753000      0.3411000
  1 1 1      20    0   20 o    5.555000      0.2151000       5.567000 0.3000000       5.543000      0.3083000      0.2371000E-01  0.4302000
  1 1 1      20    0   21 o    9.456000      0.2382000       9.519000 0.3463000       9.393000      0.3271000      0.1267000      0.4764000
  1 1 1      20    0   22 o    1.738000      0.4049000       2.146000 0.5883000       1.329000      0.5566000      0.8167000      0.8098000
  1 1 1      20    0   23 o    6.316000      0.1341000       6.539000 0.1949000       6.093000      0.1844000      0.4462000      0.2683000
  1 1 1      20    0   24 o    8.344000      0.1405000       8.502000 0.2040000       8.186000      0.1932000      0.3163000      0.2809000
  1 1 1      20    1    0 o    4.862000      0.2763000       5.241000 0.3796000       4.483000      0.4017000      0.7579000      0.5526000
  1 1 1      20    1    1 f    1.517000      0.4254000       1.144000 0.5379000       1.890000      0.6592000     -0.7458000      0.8508000
  1 1 1      20    1    2 o    10.39000      0.2083000       10.57000 0.2987000       10.21000      0.2905000      0.3557000      0.4166000
  1 1 1      20    1    3 o    1.874000      0.4598000       1.907000 0.6487000       1.840000      0.6519000      0.6688000E-01  0.9197000
  1 1 1      20    1    4 o    4.216000      0.2703000       3.802000 0.4228000       4.630000      0.3369000     -0.8272000      0.5407000
  1 1 1      20    1    5 o    2.774000      0.3760000       2.629000 0.5631000       2.918000      0.4984000     -0.2891000      0.7520000
  1 1 1      20    1    6 o    3.341000      0.3014000       3.288000 0.4335000       3.394000      0.4188000     -0.1054000      0.6027000
  1 1 1      20    1    7 o    8.520000      0.1969000       8.691000 0.2859000       8.350000      0.2707000      0.3408000      0.3937000
  1 1 1      20    1    8 o    5.179000      0.2332000       5.330000 0.3474000       5.028000      0.3112000      0.3016000      0.4663000
  1 1 1      20    1    9 o    7.103000      0.2450000       7.503000 0.2954000       6.703000      0.3909000      0.8002000      0.4900000
  1 1 1      20    1   10 o    13.99000      0.2246000       13.90000 0.3220000       14.08000      0.3133000     -0.1783000      0.4493000
  1 1 1      20    1   11 o    15.07000      0.3303000       15.23000 0.4724000       14.92000      0.4617000      0.3082000      0.6606000
  1 1 1      20    1   12 o    3.295000      0.2502000       3.459000 0.3751000       3.130000      0.3311000      0.3287000      0.5003000
  1 1 1      20    1   13 o    3.741000      0.2555000       3.882000 0.3825000       3.601000      0.3389000      0.2808000      0.5110000
  1 1 1      20    1   14 f    13.94000      0.2997000       14.24000 0.4373000       13.64000      0.4098000      0.5981000      0.5993000
  1 1 1      20    1   15 o    14.21000      0.2984000       14.10000 0.4251000       14.33000      0.4188000     -0.2324000      0.5967000
  1 1 1      20    1   16 o    7.914000      0.1650000       8.100000 0.2421000       7.729000      0.2244000      0.3702000      0.3300000
  1 1 1      20    1   17 o    6.544000      0.1597000       6.335000 0.2372000       6.753000      0.2139000     -0.4180000      0.3194000
  1 1 1      20    1   18 o    3.806000      0.1911000       3.898000 0.2776000       3.714000      0.2628000      0.1841000      0.3823000
  1 1 1      20    1   19 o    10.55000      0.1689000       10.82000 0.2439000       10.28000      0.2337000      0.5416000      0.3378000
  1 1 1      20    1   20 o    3.298000      0.2581000       3.159000 0.3549000       3.437000      0.3749000     -0.2774000      0.5162000
  1 1 1      20    1   21 o    5.177000      0.2333000       5.306000 0.3176000       5.048000      0.3417000      0.2583000      0.4665000
  1 1 1      20    1   22 o    7.511000      0.2219000       7.774000 0.3204000       7.248000      0.3071000      0.5260000      0.4438000
  1 1 1      20    2    0 o    13.01000      0.2312000       13.17000 0.3312000       12.85000      0.3227000      0.3252000      0.4624000
  1 1 1      20    2    1 o    6.303000      0.2290000       6.337000 0.3290000       6.268000      0.3187000      0.6981000E-01  0.4581000
  1 1 1      20    2    2 f    6.123000      0.2249000       6.267000 0.3147000       5.979000      0.3213000      0.2883000      0.4498000
  1 1 1      20    2    3 o    5.889000      0.2248000       5.664000 0.3220000       6.115000      0.3137000     -0.4509000      0.4495000
  1 1 1      20    2    4 o    4.489000      0.2647000       4.416000 0.3734000       4.562000      0.3752000     -0.1453000      0.5293000
  1 1 1      20    2    5 o    8.067000      0.1992000       8.075000 0.2798000       8.058000      0.2837000      0.1658000E-01  0.3985000
  1 1 1      20    2    6 o    10.11000      0.1990000       10.42000 0.2831000       9.807000      0.2798000      0.6128000      0.3980000
  1 1 1      20    2    7 o    11.24000      0.2023000       11.38000 0.2878000       11.09000      0.2844000      0.2891000      0.4046000
  1 1 1      20    2    8 o    1.844000      0.4204000       2.031000 0.6000000       1.656000      0.5891000      0.3743000      0.8409000
  1 1 1      20    2    9 o    11.74000      0.2026000       11.79000 0.2884000       11.68000      0.2847000      0.1111000      0.4053000
  1 1 1      20    2   10 o    7.481000      0.2819000       7.224000 0.4152000       7.738000      0.3814000     -0.5138000      0.5638000
  1 1 1      20    2   11 o    8.787000      0.2677000       8.701000 0.3889000       8.873000      0.3680000     -0.1722000      0.5354000
  1 1 1      20    2   12 o    7.979000      0.1860000       7.815000 0.2778000       8.143000      0.2473000     -0.3276000      0.3719000
  1 1 1      20    2   13 o    5.036000      0.2893000       4.415000 0.4686000       5.657000      0.3394000      -1.242000      0.5786000
  1 1 1      20    2   14 o    9.696000      0.2491000       9.466000 0.3623000       9.926000      0.3419000     -0.4602000      0.4982000
  1 1 1      20    2   15 o    6.175000      0.1789000       6.053000 0.2657000       6.297000      0.2395000     -0.2437000      0.3577000
  1 1 1      20    2   16 o    6.680000      0.1691000       6.330000 0.2527000       7.030000      0.2249000     -0.7000000      0.3382000
  1 1 1      20    2   17 o    4.854000      0.1782000       4.744000 0.2696000       4.964000      0.2332000     -0.2206000      0.3565000
  1 1 1      20    2   18 o    7.077000      0.1510000       7.060000 0.2224000       7.094000      0.2043000     -0.3423000E-01  0.3020000
  1 1 1      20    2   19 o    9.636000      0.1584000       9.803000 0.2283000       9.469000      0.2195000      0.3346000      0.3167000
  1 1 1      20    2   20 o    4.728000      0.1597000       4.797000 0.2130000       4.660000      0.2381000      0.1365000      0.3195000
  1 1 1      20    2   21 o    3.257000      0.2720000       3.506000 0.3824000       3.008000      0.3868000      0.4978000      0.5440000
  1 1 1      20    3    0 o    8.137000      0.2191000       8.189000 0.3192000       8.084000      0.3003000      0.1049000      0.4382000
  1 1 1      20    3    1 o    5.485000      0.2424000       5.213000 0.3570000       5.757000      0.3279000     -0.5442000      0.4848000
  1 1 1      20    3    2 o    7.486000      0.2120000       7.552000 0.2969000       7.420000      0.3026000      0.1320000      0.4239000
  1 1 1      20    3    3 o    2.364000      0.4283000       1.963000 0.6424000       2.765000      0.5667000     -0.8019000      0.8566000
  1 1 1      20    3    4 o    8.674000      0.2003000       8.903000 0.2811000       8.445000      0.2854000      0.4584000      0.4006000
  1 1 1      20    3    5 o    7.958000      0.2020000       8.051000 0.2881000       7.865000      0.2832000      0.1867000      0.4040000
  1 1 1      20    3    6 o    15.59000      0.2432000       15.84000 0.3484000       15.34000      0.3395000      0.5025000      0.4865000
  1 1 1      20    3    7 o    12.01000      0.2099000       12.14000 0.2977000       11.88000      0.2961000      0.2601000      0.4199000
  1 1 1      20    3    8 o    1.379000      0.4042000       1.343000 0.5630000       1.414000      0.5801000     -0.7025000E-01  0.8084000
  1 1 1      20    3    9 o    8.635000      0.1894000       8.595000 0.2692000       8.675000      0.2664000     -0.8024000E-01  0.3787000
  1 1 1      20    3   10 o    7.085000      0.2719000       7.207000 0.3904000       6.963000      0.3787000      0.2450000      0.5439000
  1 1 1      20    3   11 o    2.687000      0.3336000       2.463000 0.4726000       2.912000      0.4710000     -0.4493000      0.6672000
  1 1 1      20    3   12 o    13.00000      0.2095000       13.17000 0.2994000       12.82000      0.2931000      0.3422000      0.4190000
  1 1 1      20    3   13 o    3.516000      0.4702000                  ?       ?   3.516000      0.4702000                  ?              ?
  1 1 1      20    3   14 o    2.750000      0.3271000       2.818000 0.4831000       2.683000      0.4410000      0.1350000      0.6541000
  1 1 1      20    3   15 o    6.229000      0.1770000       6.434000 0.2609000       6.024000      0.2392000      0.4105000      0.3539000
  1 1 1      20    3   16 f    9.075000      0.1690000       9.473000 0.2489000       8.677000      0.2285000      0.7954000      0.3379000
  1 1 1      20    3   17 o    12.55000      0.1921000       12.48000 0.2748000       12.62000      0.2684000     -0.1388000      0.3841000
  1 1 1      20    3   18 o    3.444000      0.2114000       3.598000 0.3124000       3.290000      0.2848000      0.3076000      0.4228000
  1 1 1      20    3   19 o    4.880000      0.1519000       4.996000 0.2278000       4.765000      0.2009000      0.2310000      0.3038000
  1 1 1      20    3   20 o    8.671000      0.1405000       8.674000 0.2013000       8.668000      0.1962000      0.6517000E-02  0.2811000
  1 1 1      20    4    0 o    4.565000      0.2952000       4.321000 0.4394000       4.809000      0.3944000     -0.4880000      0.5904000
  1 1 1      20    4    1 o    2.058000      0.4595000       1.707000 0.6452000       2.408000      0.6544000     -0.7013000      0.9190000
  1 1 1      20    4    2 o    6.092000      0.2213000       6.017000 0.3195000       6.167000      0.3061000     -0.1500000      0.4425000
  1 1 1      20    4    3 o    5.734000      0.2275000       5.815000 0.3199000       5.652000      0.3235000      0.1624000      0.4550000
  1 1 1      20    4    4 o    18.02000      0.2715000       18.28000 0.3887000       17.76000      0.3791000      0.5138000      0.5430000
  1 1 1      20    4    5 o    1.847000      0.4515000       1.772000 0.6355000       1.922000      0.6415000     -0.1495000      0.9030000
  1 1 1      20    4    6 o    6.889000      0.1999000       6.905000 0.2832000       6.873000      0.2821000      0.3205000E-01  0.3997000
  1 1 1      20    4    7 f    4.223000      0.2496000       4.159000 0.3446000       4.287000      0.3611000     -0.1287000      0.4991000
  1 1 1      20    4    8 o    9.335000      0.1930000       9.320000 0.2706000       9.350000      0.2752000     -0.2996000E-01  0.3859000
  1 1 1      20    4    9 o    8.808000      0.2803000       8.689000 0.4122000       8.927000      0.3798000     -0.2382000      0.5605000
  1 1 1      20    4   10 o    2.378000      0.5347000       2.318000 0.7812000       2.437000      0.7303000     -0.1191000       1.069000
  1 1 1      20    4   11 o    4.755000      0.2154000       4.883000 0.2890000       4.627000      0.3195000      0.2563000      0.4308000
  1 1 1      20    4   12 o    2.389000      0.4389000       2.015000 0.6286000       2.762000      0.6126000     -0.7475000      0.8778000
  1 1 1      20    4   13 o    7.913000      0.1730000       7.804000 0.2479000       8.023000      0.2413000     -0.2191000      0.3460000
  1 1 1      20    4   14 o    2.568000      0.3288000       3.021000 0.3826000       2.116000      0.5349000      0.9056000      0.6577000
  1 1 1      20    4   15 o    13.26000      0.2027000       13.24000 0.2869000       13.28000      0.2864000     -0.3951000E-01  0.4054000
  1 1 1      20    4   16 f    8.597000      0.2099000       8.688000 0.3552000       8.505000      0.2237000      0.1831000      0.4198000
  1 1 1      20    4   17 o    6.262000      0.2130000                  ?       ?   6.262000      0.2130000                  ?              ?
  1 1 1      20    4   18 o    6.194000      0.1541000       6.296000 0.2328000       6.092000      0.2020000      0.2039000      0.3082000
  1 1 1      20    4   19 o    8.610000      0.1477000       8.942000 0.2185000       8.277000      0.1986000      0.6650000      0.2953000
  1 1 1      20    4   20 o    7.274000      0.1284000       7.602000 0.1912000       6.946000      0.1715000      0.6566000      0.2569000
  1 1 1      20    5    0 o    3.965000      0.4677000                  ?       ?   3.965000      0.4677000                  ?              ?
  1 1 1      20    5    1 o    5.929000      0.2389000       6.005000 0.3469000       5.853000      0.3285000      0.1522000      0.4777000
  1 1 1      20    5    2 o    8.826000      0.2074000       9.020000 0.2910000       8.632000      0.2955000      0.3873000      0.4148000
  1 1 1      20    5    3 o    14.52000      0.2369000       14.67000 0.3370000       14.38000      0.3330000      0.2894000      0.4738000
  1 1 1      20    5    4 o    11.84000      0.2150000       11.81000 0.3045000       11.86000      0.3037000     -0.4785000E-01  0.4301000
  1 1 1      20    5    5 o    5.973000      0.2212000       6.096000 0.3069000       5.850000      0.3186000      0.2459000      0.4424000
  1 1 1      20    5    6 o    8.580000      0.1994000       8.707000 0.2803000       8.453000      0.2837000      0.2537000      0.3988000
  1 1 1      20    5    7 o    3.158000      0.3389000       3.346000 0.4459000       2.969000      0.5106000      0.3779000      0.6779000
  1 1 1      20    5    8 o    7.349000      0.1954000       7.369000 0.2744000       7.329000      0.2782000      0.3995000E-01  0.3908000
  1 1 1      20    5    9 o    13.74000      0.3143000       13.86000 0.4517000       13.62000      0.4371000      0.2361000      0.6285000
  1 1 1      20    5   10 o    4.663000      0.2324000       4.352000 0.3336000       4.973000      0.3237000     -0.6209000      0.4649000
  1 1 1      20    5   11 o    9.285000      0.1874000       9.303000 0.2642000       9.267000      0.2659000      0.3556000E-01  0.3749000
  1 1 1      20    5   12 f    4.680000      0.2773000       4.514000 0.3675000       4.846000      0.4153000     -0.3325000      0.5546000
  1 1 1      20    5   13 o    10.08000      0.1825000       10.09000 0.2589000       10.07000      0.2573000      0.1821000E-01  0.3650000
  1 1 1      20    5   14 o    6.637000      0.1702000       6.706000 0.2387000       6.568000      0.2426000      0.1377000      0.3403000
  1 1 1      20    5   15 o    11.19000      0.1832000       11.05000 0.2577000       11.32000      0.2604000     -0.2672000      0.3663000
  1 1 1      20    5   16 o    4.718000      0.1763000       5.067000 0.2364000       4.369000      0.2616000      0.6981000      0.3526000
  1 1 1      20    5   17 o    9.476000      0.1619000       9.479000 0.2310000       9.472000      0.2268000      0.7432000E-02  0.3237000
  1 1 1      20    5   18 o    10.95000      0.1686000       10.81000 0.2369000       11.08000      0.2400000     -0.2616000      0.3372000
  1 1 1      20    5   19 o    6.802000      0.1399000       7.178000 0.2102000       6.426000      0.1845000      0.7523000      0.2797000
  1 1 1      20    5   20 o    5.361000      0.1269000       5.466000 0.1954000       5.255000      0.1618000      0.2110000      0.2537000
  1 1 1      20    6    0 o    1.715000      0.6526000                  ?       ?   1.715000      0.6526000                  ?              ?
  1 1 1      20    6    1 o    11.05000      0.2176000       11.13000 0.3092000       10.97000      0.3064000      0.1598000      0.4353000
  1 1 1      20    6    2 f    3.451000      0.3531000       3.722000 0.4683000       3.179000      0.5286000      0.5435000      0.7062000
  1 1 1      20    6    3 o    1.924000      0.4640000       1.752000 0.6456000       2.096000      0.6665000     -0.3437000      0.9279000
  1 1 1      20    6    4 o    8.569000      0.2052000       8.466000 0.2869000       8.671000      0.2934000     -0.2044000      0.4103000
  1 1 1      20    6    5 o    1.639000      0.4444000       1.605000 0.6271000       1.672000      0.6298000     -0.6739000E-01  0.8887000
  1 1 1      20    6    6 o    3.628000      0.3062000       3.478000 0.4440000       3.779000      0.4218000     -0.3016000      0.6125000
  1 1 1      20    6    7 o    7.489000      0.2000000       7.645000 0.2797000       7.332000      0.2858000      0.3125000      0.3999000
  1 1 1      20    6    8 o    3.783000      0.2932000       3.444000 0.4399000       4.122000      0.3877000     -0.6785000      0.5864000
  1 1 1      20    6    9 o    9.931000      0.2788000       9.991000 0.4005000       9.871000      0.3879000      0.1203000      0.5576000
  1 1 1      20    6   10 o    4.313000      0.2474000       4.201000 0.3602000       4.425000      0.3391000     -0.2240000      0.4947000
  1 1 1      20    6   11 o    5.272000      0.2139000       4.914000 0.3078000       5.631000      0.2970000     -0.7170000      0.4277000
  1 1 1      20    6   12 o    11.51000      0.2731000       11.00000 0.3702000       12.02000      0.4017000      -1.015000      0.5462000
  1 1 1      20    6   13 o    11.25000      0.1927000       11.34000 0.2752000       11.16000      0.2697000      0.1781000      0.3853000
  1 1 1      20    6   14 o    2.462000      0.3424000       2.824000 0.4316000       2.100000      0.5317000      0.7234000      0.6848000
  1 1 1      20    6   15 o    8.700000      0.1684000       8.621000 0.2381000       8.778000      0.2381000     -0.1573000      0.3367000
  1 1 1      20    6   16 o    6.343000      0.1603000       6.433000 0.2287000       6.252000      0.2245000      0.1806000      0.3205000
  1 1 1      20    6   17 o    9.234000      0.1593000       9.247000 0.2266000       9.221000      0.2241000      0.2600000E-01  0.3187000
  1 1 1      20    6   18 o    14.93000      0.2133000       15.03000 0.3033000       14.83000      0.3000000      0.2005000      0.4266000
  1 1 1      20    6   19 o    4.728000      0.1384000       4.843000 0.1995000       4.613000      0.1919000      0.2300000      0.2769000
  1 1 1      20    6   20 o    6.379000      0.1183000       6.347000 0.1685000       6.410000      0.1662000     -0.6247000E-01  0.2367000
  1 1 1      20    7    0 o    6.248000      0.2325000       5.867000 0.3318000       6.630000      0.3257000     -0.7636000      0.4649000
  1 1 1      20    7    1 o    6.995000      0.2265000       6.831000 0.3347000       7.159000      0.3053000     -0.3277000      0.4530000
  1 1 1      20    7    2 f    5.361000      0.2581000       5.654000 0.3511000       5.067000      0.3783000      0.5872000      0.5161000
  1 1 1      20    7    3 o    1.979000      0.4666000       2.107000 0.6591000       1.851000      0.6606000      0.2563000      0.9332000
  1 1 1      20    7    4 o    6.985000      0.2195000       6.954000 0.3075000       7.017000      0.3132000     -0.6234000E-01  0.4389000
  1 1 1      20    7    5 o    8.832000      0.2023000       8.708000 0.2862000       8.956000      0.2861000     -0.2486000      0.4047000
  1 1 1      20    7    6 o    1.428000      0.4259000       1.311000 0.5708000       1.545000      0.6323000     -0.2340000      0.8518000
  1 1 1      20    7    7 o    6.016000      0.2215000       5.991000 0.3159000       6.040000      0.3105000     -0.4857000E-01  0.4429000
  1 1 1      20    7    8 o    12.40000      0.2129000       12.61000 0.3055000       12.20000      0.2967000      0.4065000      0.4259000
  1 1 1      20    7    9 o    1.825000      0.5037000       2.189000 0.7699000       1.460000      0.6498000      0.7294000       1.007000
  1 1 1      20    7   10 o    9.420000      0.1895000       9.614000 0.2690000       9.226000      0.2669000      0.3876000      0.3789000
  1 1 1      20    7   11 o    3.544000      0.2961000       3.071000 0.4619000       4.017000      0.3707000     -0.9464000      0.5922000
  1 1 1      20    7   12 o    7.155000      0.2555000       6.638000 0.3502000       7.673000      0.3722000      -1.035000      0.5111000
  1 1 1      20    7   13 o    9.991000      0.1859000       10.19000 0.2684000       9.794000      0.2572000      0.3929000      0.3717000
  1 1 1      20    7   14 o    1.232000      0.3725000       1.177000 0.5223000       1.287000      0.5313000     -0.1104000      0.7450000
  1 1 1      20    7   15 o    1.644000      0.3910000       1.846000 0.5655000       1.442000      0.5403000      0.4044000      0.7821000
  1 1 1      20    7   16 o    6.871000      0.1618000       6.993000 0.2326000       6.749000      0.2249000      0.2443000      0.3235000
  1 1 1      20    7   17 o    9.185000      0.1613000       9.098000 0.2304000       9.271000      0.2257000     -0.1739000      0.3226000
  1 1 1      20    7   18 o    9.424000      0.1569000       9.423000 0.2241000       9.425000      0.2196000     -0.2350000E-02  0.3138000
  1 1 1      20    7   19 o    4.715000      0.1431000       4.836000 0.2067000       4.594000      0.1981000      0.2422000      0.2863000
  1 1 1      20    7   20 o    3.781000      0.1347000       3.992000 0.1959000       3.570000      0.1850000      0.4222000      0.2694000
  1 1 1      20    7   21 o    3.446000      0.1527000       3.591000 0.1886000       3.301000      0.2401000      0.2901000      0.3053000
  1 1 1      20    8    0 o    9.037000      0.2196000       8.830000 0.3128000       9.244000      0.3083000     -0.4146000      0.4392000
  1 1 1      20    8    1 o    4.602000      0.2934000       4.734000 0.4133000       4.469000      0.4166000      0.2649000      0.5869000
  1 1 1      20    8    2 o    3.433000      0.3839000       2.832000 0.6397000       4.034000      0.4246000      -1.202000      0.7678000
  1 1 1      20    8    3 o    7.330000      0.2140000       7.149000 0.3101000       7.511000      0.2949000     -0.3621000      0.4279000
  1 1 1      20    8    4 o    5.981000      0.2295000       6.148000 0.3250000       5.813000      0.3242000      0.3352000      0.4591000
  1 1 1      20    8    5 o    6.400000      0.2183000       6.475000 0.3072000       6.326000      0.3102000      0.1484000      0.4366000
  1 1 1      20    8    6 o    6.116000      0.2290000       6.362000 0.3108000       5.870000      0.3364000      0.4919000      0.4580000
  1 1 1      20    8    7 o    10.36000      0.2030000       10.32000 0.2875000       10.39000      0.2866000     -0.6490000E-01  0.4059000
  1 1 1      20    8    8 o    13.74000      0.2227000       13.82000 0.3162000       13.67000      0.3137000      0.1503000      0.4454000
  1 1 1      20    8    9 o    3.575000      0.4395000       3.163000 0.7062000       3.987000      0.5233000     -0.8244000      0.8789000
  1 1 1      20    8   10 o    10.14000      0.2724000       9.711000 0.3878000       10.56000      0.3827000     -0.8506000      0.5449000
  1 1 1      20    8   11 o    2.396000      0.3917000       2.024000 0.5948000       2.768000      0.5098000     -0.7440000      0.7833000
  1 1 1      20    8   12 o    8.891000      0.2636000       9.400000 0.3643000       8.382000      0.3812000       1.019000      0.5273000
  1 1 1      20    8   13 o    11.46000      0.2775000       11.41000 0.3872000       11.50000      0.3977000     -0.8693000E-01  0.5550000
  1 1 1      20    8   14 o    9.226000      0.1771000       9.264000 0.2529000       9.187000      0.2480000      0.7693000E-01  0.3542000
  1 1 1      20    8   15 o    6.976000      0.1681000       6.557000 0.2432000       7.394000      0.2322000     -0.8372000      0.3362000
  1 1 1      20    8   16 o    8.636000      0.1627000       8.312000 0.2283000       8.960000      0.2318000     -0.6478000      0.3254000
  1 1 1      20    8   17 f    12.89000      0.1945000       12.88000 0.2749000       12.90000      0.2754000     -0.2262000E-01  0.3891000
  1 1 1      20    8   18 o    4.173000      0.1668000       4.232000 0.2440000       4.114000      0.2276000      0.1179000      0.3337000
  1 1 1      20    8   19 o    5.753000      0.1351000       5.961000 0.1959000       5.545000      0.1861000      0.4160000      0.2702000
  1 1 1      20    8   20 o    8.462000      0.1399000       8.567000 0.1972000       8.357000      0.1986000      0.2104000      0.2799000
  1 1 1      20    8   21 o    5.909000      0.1492000       5.995000 0.1810000       5.823000      0.2372000      0.1726000      0.2984000
  1 1 1      20    8   22 o    5.041000      0.2137000       4.537000 0.2906000       5.545000      0.3133000      -1.009000      0.4273000
  1 1 1      20    9    0 o    8.098000      0.2219000       7.891000 0.3175000       8.306000      0.3099000     -0.4144000      0.4437000
  1 1 1      20    9    1 o    2.846000      0.4446000       3.251000 0.5801000       2.441000      0.6740000      0.8093000      0.8892000
  1 1 1      20    9    2 o    7.787000      0.2164000       7.696000 0.3110000       7.878000      0.3010000     -0.1824000      0.4328000
  1 1 1      20    9    3 o    3.550000      0.3548000       2.908000 0.5824000       4.192000      0.4053000      -1.284000      0.7096000
  1 1 1      20    9    4 o    3.897000      0.3089000       4.253000 0.4025000       3.542000      0.4688000      0.7112000      0.6179000
  1 1 1      20    9    5 o    5.744000      0.2355000       5.394000 0.3460000       6.095000      0.3196000     -0.7006000      0.4710000
  1 1 1      20    9    6 o    7.642000      0.2060000       7.896000 0.2881000       7.388000      0.2944000      0.5081000      0.4119000
  1 1 1      20    9    7 o    9.158000      0.1991000       9.203000 0.2844000       9.113000      0.2787000      0.8993000E-01  0.3981000
  1 1 1      20    9    8 o    5.549000      0.2232000       5.666000 0.3084000       5.432000      0.3227000      0.2345000      0.4464000
  1 1 1      20    9    9 o    3.140000      0.4580000       2.846000 0.7076000       3.434000      0.5818000     -0.5878000      0.9161000
  1 1 1      20    9   10 o    3.875000      0.4050000       3.353000 0.6739000       4.398000      0.4492000      -1.044000      0.8099000
  1 1 1      20    9   11 o    14.03000      0.2228000       13.98000 0.3154000       14.09000      0.3148000     -0.1083000      0.4456000
  1 1 1      20    9   12 o    11.07000      0.1956000       11.19000 0.2784000       10.95000      0.2749000      0.2397000      0.3912000
  1 1 1      20    9   13 o    11.60000      0.2803000       11.45000 0.3856000       11.76000      0.4069000     -0.3052000      0.5606000
  1 1 1      20    9   14 o    12.16000      0.2846000       12.31000 0.3974000       12.01000      0.4076000      0.2964000      0.5693000
  1 1 1      20    9   15 o    8.198000      0.1681000       8.336000 0.2421000       8.060000      0.2333000      0.2760000      0.3363000
  1 1 1      20    9   16 f    6.495000      0.1644000       6.339000 0.2380000       6.651000      0.2269000     -0.3115000      0.3288000
  1 1 1      20    9   17 o    9.815000      0.1672000       9.885000 0.2361000       9.744000      0.2369000      0.1411000      0.3344000
  1 1 1      20    9   18 o    3.944000      0.1773000       3.522000 0.2741000       4.365000      0.2251000     -0.8428000      0.3547000
  1 1 1      20    9   19 o    7.985000      0.1435000       8.005000 0.2035000       7.965000      0.2024000      0.3992000E-01  0.2870000
  1 1 1      20    9   20 o    5.910000      0.1331000       6.072000 0.1811000       5.748000      0.1950000      0.3237000      0.2661000
  1 1 1      20    9   21 o    4.742000      0.2222000       5.012000 0.2436000       4.472000      0.3716000      0.5393000      0.4443000
  1 1 1      20    9   22 o    6.300000      0.2197000       6.171000 0.2664000       6.429000      0.3493000     -0.2586000      0.4393000
  1 1 1      20    9   23 o    2.925000      0.3103000       3.349000 0.3377000       2.501000      0.5208000      0.8486000      0.6207000
  1 1 1      20    9   24 o    5.246000      0.1473000       5.308000 0.1999000       5.184000      0.2166000      0.1237000      0.2947000
  1 1 1      20    9   25 o    4.859000      0.1492000       4.840000 0.2046000       4.878000      0.2171000     -0.3888000E-01  0.2983000
  1 1 1      20    9   26 o    3.846000      0.4108000       3.846000 0.4108000                  ?              ?              ?              ?
  1 1 1      20   10    0 o    7.582000      0.2311000       7.364000 0.3375000       7.800000      0.3158000     -0.4355000      0.4622000
  1 1 1      20   10    1 o    5.878000      0.3501000                  ?       ?   5.878000      0.3501000                  ?              ?
  1 1 1      20   10    2 o    8.763000      0.2155000       8.763000 0.3120000       8.764000      0.2972000     -0.8755000E-03  0.4309000
  1 1 1      20   10    3 f    4.635000      0.2764000       4.609000 0.4037000       4.662000      0.3776000     -0.5309000E-01  0.5528000
  1 1 1      20   10    4 o    4.952000      0.2586000       4.832000 0.3802000       5.072000      0.3507000     -0.2406000      0.5172000
  1 1 1      20   10    5 o    9.529000      0.2061000       9.567000 0.2882000       9.490000      0.2946000      0.7606000E-01  0.4121000
  1 1 1      20   10    6 o    9.088000      0.2028000       9.012000 0.2871000       9.164000      0.2865000     -0.1527000      0.4056000
  1 1 1      20   10    7 o    11.16000      0.2089000       11.21000 0.2981000       11.11000      0.2928000      0.9548000E-01  0.4179000
  1 1 1      20   10    8 o    8.924000      0.1991000       9.075000 0.2816000       8.773000      0.2815000      0.3019000      0.3981000
  1 1 1      20   10    9 o    4.463000      0.2615000       4.513000 0.3771000       4.413000      0.3625000      0.1007000      0.5231000
  1 1 1      20   10   10 o    5.035000      0.3096000       5.396000 0.4503000       4.673000      0.4249000      0.7228000      0.6191000
  1 1 1      20   10   11 f    11.28000      0.2759000       11.57000 0.4060000       10.99000      0.3736000      0.5751000      0.5517000
  1 1 1      20   10   12 o    12.03000      0.2036000       11.85000 0.2873000       12.20000      0.2885000     -0.3551000      0.4072000
  1 1 1      20   10   13 o    13.74000      0.2149000       13.58000 0.3027000       13.90000      0.3052000     -0.3261000      0.4299000
  1 1 1      20   10   14 o    7.815000      0.2679000       8.296000 0.3553000       7.334000      0.4010000      0.9619000      0.5358000
  1 1 1      20   10   15 o    9.935000      0.2658000       9.432000 0.3509000       10.44000      0.3994000      -1.005000      0.5316000
  1 1 1      20   10   16 o    11.97000      0.1891000       11.89000 0.2660000       12.05000      0.2689000     -0.1607000      0.3782000
  1 1 1      20   10   17 o    8.246000      0.1602000       8.097000 0.2245000       8.394000      0.2288000     -0.2972000      0.3205000
  1 1 1      20   10   18 o    2.605000      0.2619000       2.142000 0.4417000       3.068000      0.2817000     -0.9261000      0.5239000
  1 1 1      20   10   19 o    8.097000      0.1465000       8.150000 0.2055000       8.044000      0.2087000      0.1055000      0.2929000
  1 1 1      20   10   20 o    4.022000      0.1905000       4.029000 0.2385000       4.014000      0.2971000      0.1516000E-01  0.3810000
  1 1 1      20   10   21 o    3.998000      0.2696000       3.826000 0.3191000       4.171000      0.4345000     -0.3454000      0.5391000
  1 1 1      20   10   22 o    6.392000      0.2319000       6.523000 0.2802000       6.262000      0.3696000      0.2609000      0.4638000
  1 1 1      20   10   23 o    3.229000      0.3213000       3.302000 0.4068000       3.156000      0.4975000      0.1467000      0.6426000
  1 1 1      20   10   24 o    4.723000      0.1856000       4.802000 0.2398000       4.643000      0.2835000      0.1582000      0.3713000
  1 1 1      20   10   25 o    3.772000      0.1898000       4.003000 0.2383000       3.542000      0.2955000      0.4614000      0.3796000
  1 1 1      20   10   26 o    5.899000      0.1524000       5.978000 0.2115000       5.820000      0.2195000      0.1584000      0.3048000
  1 1 1      20   10   27 o    4.949000      0.1730000       5.132000 0.2392000       4.765000      0.2501000      0.3673000      0.3461000
  1 1 1      20   10   28 o    1.533000      0.3792000       1.589000 0.5141000       1.477000      0.5575000      0.1124000      0.7583000
  1 1 1      20   10   29 o    2.720000      0.2901000       2.701000 0.3977000       2.739000      0.4226000     -0.3770000E-01  0.5803000
  1 1 1      20   10   30 o    3.754000      0.1966000       3.766000 0.2494000       3.742000      0.3040000      0.2486000E-01  0.3932000
  1 1 1      20   10   31 o    1.298000      0.3617000      0.9633000 0.4395000       1.633000      0.5746000     -0.6700000      0.7234000
  1 1 1      20   10   32 o    1.374000      0.3636000       1.666000 0.5435000       1.082000      0.4831000      0.5839000      0.7272000
  1 1 1      20   11    0 o    1.656000      0.4661000       1.949000 0.7057000       1.364000      0.6089000      0.5856000      0.9321000
  1 1 1      20   11    1 o    9.623000      0.3033000                  ?       ?   9.623000      0.3033000                  ?              ?
  1 1 1      20   11    2 o    5.051000      0.2727000       5.017000 0.4009000       5.084000      0.3698000     -0.6732000E-01  0.5454000
  1 1 1      20   11    3 o    8.463000      0.2158000       8.427000 0.3128000       8.498000      0.2974000     -0.7081000E-01  0.4316000
  1 1 1      20   11    4 o    1.710000      0.4642000       1.548000 0.6387000       1.872000      0.6736000     -0.3243000      0.9283000
  1 1 1      20   11    5 o    1.582000      0.4509000       1.413000 0.6074000       1.750000      0.6665000     -0.3370000      0.9018000
  1 1 1      20   11    6 o    9.066000      0.2059000       9.057000 0.2973000       9.075000      0.2848000     -0.1799000E-01  0.4117000
  1 1 1      20   11    7 o    3.439000      0.3398000       3.118000 0.5266000       3.761000      0.4296000     -0.6429000      0.6797000
  1 1 1      20   11    8 o    5.601000      0.2273000       5.540000 0.3333000       5.662000      0.3092000     -0.1219000      0.4547000
  1 1 1      20   11    9 o    4.336000      0.2667000       4.171000 0.3954000       4.501000      0.3581000     -0.3300000      0.5334000
  1 1 1      20   11   10 f    11.99000      0.2098000       11.89000 0.2985000       12.09000      0.2948000     -0.1955000      0.4195000
  1 1 1      20   11   11 o    11.13000      0.2728000       11.63000 0.4057000       10.62000      0.3648000       1.014000      0.5456000
  1 1 1      20   11   12 o    12.70000      0.2877000       12.83000 0.4170000       12.56000      0.3963000      0.2790000      0.5753000
  1 1 1      20   11   13 o    6.761000      0.1859000       6.852000 0.2688000       6.669000      0.2570000      0.1830000      0.3719000
  1 1 1      20   11   14 o    9.520000      0.1825000       9.631000 0.2627000       9.410000      0.2534000      0.2206000      0.3650000
  1 1 1      20   11   15 o    15.46000      0.3317000       15.33000 0.4594000       15.59000      0.4785000     -0.2582000      0.6634000
  1 1 1      20   11   16 o    7.839000      0.2616000       8.243000 0.3498000       7.434000      0.3890000      0.8087000      0.5232000
  1 1 1      20   11   17 o    12.24000      0.1876000       12.23000 0.2623000       12.26000      0.2684000     -0.3570000E-01  0.3753000
  1 1 1      20   11   18 o    12.40000      0.1888000       12.55000 0.2662000       12.25000      0.2679000      0.3022000      0.3777000
  1 1 1      20   11   19 o    9.316000      0.1570000       9.192000 0.2160000       9.440000      0.2280000     -0.2480000      0.3141000
  1 1 1      20   11   20 o    6.256000      0.1703000       6.460000 0.2105000       6.051000      0.2678000      0.4088000      0.3406000
  1 1 1      20   11   21 o    6.923000      0.2153000       7.177000 0.2511000       6.668000      0.3499000      0.5087000      0.4306000
  1 1 1      20   11   22 o    2.688000      0.4131000       2.651000 0.5148000       2.725000      0.6461000     -0.7424000E-01  0.8261000
  1 1 1      20   11   23 o    5.636000      0.2388000       6.009000 0.3143000       5.263000      0.3597000      0.7464000      0.4776000
  1 1 1      20   11   24 o    2.521000      0.3517000       3.037000 0.3489000       2.004000      0.6107000       1.033000      0.7034000
  1 1 1      20   11   25 o    5.182000      0.1729000       5.396000 0.2230000       4.968000      0.2642000      0.4278000      0.3457000
  1 1 1      20   11   26 o    4.656000      0.1816000       4.943000 0.2310000       4.369000      0.2802000      0.5742000      0.3632000
  1 1 1      20   11   27 o    5.676000      0.2122000       5.517000 0.2323000       5.835000      0.3552000     -0.3178000      0.4244000
  1 1 1      20   11   28 o    2.004000      0.3303000       2.715000 0.3836000       1.294000      0.5378000       1.420000      0.6606000
  1 1 1      20   11   29 o    1.459000      0.3956000       1.504000 0.5551000       1.415000      0.5638000      0.8958000E-01  0.7912000
  1 1 1      20   11   30 o    2.766000      0.3818000       2.410000 0.6444000       3.123000      0.4097000     -0.7128000      0.7636000
  1 1 1      20   11   31 o    2.725000      0.3180000       2.954000 0.3899000       2.497000      0.5023000      0.4573000      0.6359000
  1 1 1      20   11   32 o    2.713000      0.3390000       2.834000 0.4133000       2.592000      0.5374000      0.2417000      0.6780000
  1 1 1      20   12    0 o    1.765000      0.4860000       1.731000 0.6855000       1.800000      0.6892000     -0.6858000E-01  0.9720000
  1 1 1      20   12    1 o    9.640000      0.2233000       9.507000 0.3225000       9.772000      0.3091000     -0.2646000      0.4467000
  1 1 1      20   12    2 o    7.994000      0.2229000       7.903000 0.3266000       8.085000      0.3035000     -0.1817000      0.4459000
  1 1 1      20   12    3 o    5.331000      0.2662000       5.657000 0.3545000       5.004000      0.3971000      0.6527000      0.5323000
  1 1 1      20   12    4 o    2.151000      0.4607000       2.587000 0.6403000       1.715000      0.6626000      0.8714000      0.9214000
  1 1 1      20   12    5 o    4.459000      0.2981000       3.813000 0.4706000       5.104000      0.3662000      -1.291000      0.5963000
  1 1 1      20   12    6 o    5.151000      0.2422000       4.943000 0.3576000       5.360000      0.3269000     -0.4166000      0.4845000
  1 1 1      20   12    7 o    2.237000      0.4279000       2.814000 0.5859000       1.659000      0.6237000       1.155000      0.8557000
  1 1 1      20   12    8 o    2.345000      0.4330000       2.146000 0.6521000       2.543000      0.5698000     -0.3972000      0.8660000
  1 1 1      20   12    9 o    3.962000      0.2878000       4.002000 0.4180000       3.923000      0.3957000      0.7907000E-01  0.5756000
  1 1 1      20   12   10 o    7.216000      0.1977000       7.320000 0.2884000       7.112000      0.2703000      0.2080000      0.3953000
  1 1 1      20   12   11 o    6.418000      0.2053000       6.089000 0.2999000       6.747000      0.2805000     -0.6585000      0.4106000
  1 1 1      20   12   12 o    4.518000      0.3052000       4.855000 0.4662000       4.181000      0.3941000      0.6737000      0.6104000
  1 1 1      20   12   13 o    11.63000      0.2691000       11.55000 0.3946000       11.71000      0.3661000     -0.1600000      0.5383000
  1 1 1      20   12   14 o    14.28000      0.3015000       13.78000 0.4235000       14.78000      0.4292000     -0.9943000      0.6030000
  1 1 1      20   12   15 o    18.64000      0.2659000       18.77000 0.3774000       18.52000      0.3747000      0.2559000      0.5318000
  1 1 1      20   12   16 o    2.355000      0.3198000       2.749000 0.4067000       1.961000      0.4937000      0.7877000      0.6396000
  1 1 1      20   12   17 o    3.668000      0.1770000       3.859000 0.2532000       3.477000      0.2474000      0.3824000      0.3540000
  1 1 1      20   12   18 o    10.24000      0.2605000       10.33000 0.3537000       10.15000      0.3826000      0.1768000      0.5211000
  1 1 1      20   12   19 o    8.381000      0.2528000       8.289000 0.3332000       8.472000      0.3802000     -0.1830000      0.5056000
  1 1 1      20   12   20 f    5.841000      0.1964000       5.897000 0.2235000       5.784000      0.3231000      0.1123000      0.3929000
  1 1 1      20   12   21 o    6.815000      0.2195000       7.020000 0.2681000       6.609000      0.3476000      0.4105000      0.4389000
  1 1 1      20   12   22 o    2.130000      0.4836000       2.595000 0.5386000       1.664000      0.8033000      0.9309000      0.9671000
  1 1 1      20   12   23 o    4.186000      0.2915000       4.279000 0.3390000       4.094000      0.4743000      0.1851000      0.5829000
  1 1 1      20   12   24 o    2.010000      0.3860000       2.523000 0.4679000       1.497000      0.6140000       1.026000      0.7719000
  1 1 1      20   12   25 o    2.014000      0.3673000       1.445000 0.5323000       2.583000      0.5063000      -1.138000      0.7346000
  1 1 1      20   12   26 o    2.422000      0.3342000       1.922000 0.5252000       2.922000      0.4133000      -1.000000      0.6684000
  1 1 1      20   12   27 o    2.800000      0.3181000       2.460000 0.4785000       3.139000      0.4192000     -0.6791000      0.6361000
  1 1 1      20   12   28 f    4.624000      0.2780000       4.624000 0.2780000                  ?              ?              ?              ?
  1 1 1      20   12   29 o    2.995000      0.3360000       3.024000 0.4732000       2.965000      0.4772000      0.5905000E-01  0.6720000
  1 1 1      20   12   30 o    2.457000      0.4165000       2.306000 0.6657000       2.608000      0.5008000     -0.3026000      0.8330000
  1 1 1      20   12   31 o    2.306000      0.4056000       2.334000 0.5739000       2.278000      0.5733000      0.5556000E-01  0.8112000
  1 1 1      20   12   32 o    2.280000      0.4001000       1.688000 0.6156000       2.872000      0.5111000      -1.184000      0.8001000
  1 1 1      20   13    0 o    3.390000      0.4077000       3.525000 0.5507000       3.255000      0.6014000      0.2693000      0.8155000
  1 1 1      20   13    1 o    2.493000      0.4884000       2.426000 0.7146000       2.561000      0.6658000     -0.1356000      0.9767000
  1 1 1      20   13    2 o    9.612000      0.2217000       9.662000 0.3202000       9.562000      0.3066000      0.9934000E-01  0.4433000
  1 1 1      20   13    3 o    3.754000      0.3426000       4.079000 0.4730000       3.429000      0.4957000      0.6502000      0.6852000
  1 1 1      20   13    4 o    4.733000      0.2805000       4.478000 0.4211000       4.989000      0.3707000     -0.5112000      0.5611000
  1 1 1      20   13    5 o    9.021000      0.2072000       9.162000 0.2956000       8.879000      0.2904000      0.2828000      0.4144000
  1 1 1      20   13    6 o    4.533000      0.2734000       4.514000 0.4080000       4.553000      0.3641000     -0.3922000E-01  0.5469000
  1 1 1      20   13    7 o    7.294000      0.2136000       7.400000 0.3124000       7.187000      0.2913000      0.2129000      0.4272000
  1 1 1      20   13    8 f    4.758000      0.2582000       4.819000 0.3760000       4.698000      0.3540000      0.1209000      0.5164000
  1 1 1      20   13    9 o    8.795000      0.1989000       8.760000 0.2842000       8.829000      0.2784000     -0.6921000E-01  0.3979000
  1 1 1      20   13   10 o    10.59000      0.2003000       10.41000 0.2837000       10.78000      0.2829000     -0.3616000      0.4006000
  1 1 1      20   13   11 o    7.498000      0.1935000       7.386000 0.2830000       7.610000      0.2639000     -0.2240000      0.3870000
  1 1 1      20   13   12 o    4.827000      0.2375000       4.708000 0.3671000       4.945000      0.3015000     -0.2365000      0.4750000
  1 1 1      20   13   13 o    7.911000      0.1859000       8.042000 0.2714000       7.781000      0.2542000      0.2606000      0.3719000
  1 1 1      20   13   14 o    8.375000      0.2329000       8.533000 0.3472000       8.217000      0.3104000      0.3162000      0.4657000
  1 1 1      20   13   15 o    2.892000      0.3714000       2.592000 0.6244000       3.192000      0.4023000     -0.6002000      0.7427000
  1 1 1      20   13   16 o    7.534000      0.2074000       7.263000 0.3053000       7.805000      0.2809000     -0.5412000      0.4148000
  1 1 1      20   13   17 o    7.866000      0.1572000       7.953000 0.2234000       7.779000      0.2213000      0.1736000      0.3145000
  1 1 1      20   13   18 o    6.804000      0.1561000       6.865000 0.2143000       6.742000      0.2270000      0.1228000      0.3122000
  1 1 1      20   13   19 o    8.230000      0.1677000       8.109000 0.2192000       8.351000      0.2539000     -0.2418000      0.3354000
  1 1 1      20   13   20 o    3.774000      0.3092000       3.615000 0.3598000       3.934000      0.5030000     -0.3193000      0.6184000
  1 1 1      20   13   21 o    12.44000      0.2805000       12.46000 0.3847000       12.43000      0.4084000      0.2486000E-01  0.5611000
  1 1 1      20   13   22 o    3.071000      0.4156000       3.221000 0.4660000       2.921000      0.6883000      0.2998000      0.8313000
  1 1 1      20   13   23 o    4.643000      0.2818000       4.222000 0.3686000       5.063000      0.4264000     -0.8415000      0.5636000
  1 1 1      20   13   24 o    2.677000      0.4366000       2.523000 0.5203000       2.830000      0.7012000     -0.3074000      0.8732000
  1 1 1      20   13   25 o    3.887000      0.3375000       4.221000 0.3824000       3.553000      0.5562000      0.6674000      0.6750000
  1 1 1      20   13   26 f    6.819000      0.2303000       6.741000 0.2950000       6.897000      0.3538000     -0.1556000      0.4607000
  1 1 1      20   13   27 o    3.593000      0.3756000       3.994000 0.3724000       3.192000      0.6525000      0.8024000      0.7512000
  1 1 1      20   13   28 o    3.091000      0.5155000       3.091000 0.5155000                  ?              ?              ?              ?
  1 1 1      20   13   29 o    2.954000      0.4400000       2.173000 0.6662000       3.734000      0.5749000      -1.561000      0.8800000
  1 1 1      20   13   30 o    2.035000      0.7623000                  ?       ?   2.035000      0.7623000                  ?              ?
  1 1 1      20   13   31 o    2.997000      0.5175000       3.019000 0.7038000       2.976000      0.7589000      0.4341000E-01   1.035000
  1 1 1      20   13   32 o    3.056000      0.7987000                  ?       ?   3.056000      0.7987000                  ?              ?
  1 1 1      20   14    0 o    4.251000      0.4545000       5.423000 0.4073000       3.079000      0.8126000       2.345000      0.9090000
  1 1 1      20   14    1 o    1.934000      0.5011000       1.983000 0.7225000       1.884000      0.6945000      0.9968000E-01   1.002000
  1 1 1      20   14    2 o    4.618000      0.3376000       4.623000 0.5105000       4.614000      0.4419000      0.8760000E-02  0.6752000
  1 1 1      20   14    3 f    6.956000      0.2317000       7.145000 0.3359000       6.767000      0.3194000      0.3782000      0.4635000
  1 1 1      20   14    4 o    3.183000      0.4150000       3.168000 0.6100000       3.199000      0.5629000     -0.3101000E-01  0.8301000
  1 1 1      20   14    5 f    3.995000      0.4127000       3.783000 0.7109000       4.208000      0.4193000     -0.4251000      0.8253000
  1 1 1      20   14    6 o    5.983000      0.2342000       6.039000 0.3393000       5.927000      0.3230000      0.1119000      0.4685000
  1 1 1      20   14    7 o    6.281000      0.2243000       6.059000 0.3363000       6.503000      0.2971000     -0.4438000      0.4487000
  1 1 1      20   14    8 o    4.595000      0.2711000       4.472000 0.4104000       4.717000      0.3543000     -0.2448000      0.5422000
  1 1 1      20   14    9 o    1.182000      0.3799000       1.050000 0.5054000       1.314000      0.5673000     -0.2641000      0.7598000
  1 1 1      20   14   10 o    7.232000      0.1952000       7.374000 0.2763000       7.091000      0.2757000      0.2831000      0.3903000
  1 1 1      20   14   11 o    3.964000      0.2909000       4.420000 0.4091000       3.508000      0.4137000      0.9125000      0.5818000
  1 1 1      20   14   12 o    8.588000      0.1894000       8.814000 0.2762000       8.362000      0.2591000      0.4521000      0.3787000
  1 1 1      20   14   13 o    8.091000      0.1862000       8.233000 0.2685000       7.950000      0.2580000      0.2838000      0.3724000
  1 1 1      20   14   14 f    13.90000      0.2164000       13.95000 0.3058000       13.85000      0.3062000      0.1012000      0.4327000
  1 1 1      20   14   15 o    8.315000      0.1734000       8.514000 0.2456000       8.117000      0.2448000      0.3965000      0.3467000
  1 1 1      20   14   16 o    4.810000      0.1939000       4.656000 0.2890000       4.964000      0.2585000     -0.3081000      0.3877000
  1 1 1      20   14   17 o    13.02000      0.2696000       12.92000 0.3796000       13.13000      0.3828000     -0.2111000      0.5391000
  1 1 1      20   14   18 o    3.942000      0.2568000       3.907000 0.3646000       3.976000      0.3619000     -0.6875000E-01  0.5137000
  1 1 1      20   14   19 f    1.562000      0.4660000       1.281000 0.5813000       1.843000      0.7284000     -0.5627000      0.9319000
  1 1 1      20   14   20 o    6.317000      0.5105000       6.517000 0.4652000       6.117000      0.9088000      0.4006000       1.021000
  1 1 1      20   14   21 o    11.19000      0.2810000       11.19000 0.2810000                  ?              ?              ?              ?
  1 1 1      20   14   22 o    1.731000      0.4629000       1.859000 0.6357000       1.604000      0.6730000      0.2545000      0.9257000
  1 1 1      20   14   23 o    8.185000      0.2423000       8.149000 0.3153000       8.220000      0.3680000     -0.7111000E-01  0.4846000
  1 1 1      20   14   24 o    5.141000      0.2411000       5.149000 0.2975000       5.133000      0.3796000      0.1597000E-01  0.4823000
  1 1 1      20   14   25 o    2.004000      0.4389000       1.562000 0.5942000       2.446000      0.6459000     -0.8841000      0.8777000
  1 1 1      20   14   26 o    8.880000      0.1737000       9.014000 0.2454000       8.745000      0.2458000      0.2689000      0.3473000
  1 1 1      20   14   27 o    3.207000      0.2883000       3.295000 0.3872000       3.119000      0.4273000      0.1756000      0.5767000
  1 1 1      20   14   28 o    1.290000      0.3938000       1.392000 0.5743000       1.188000      0.5390000      0.2038000      0.7876000
  1 1 1      20   14   29 o    4.291000      0.2647000       4.261000 0.3696000       4.321000      0.3789000     -0.5936000E-01  0.5293000
  1 1 1      20   14   30 o    2.395000      0.4919000       2.653000 0.7324000       2.136000      0.6568000      0.5177000      0.9837000
  1 1 1      20   14   31 o    4.603000      0.2761000       4.926000 0.3858000       4.281000      0.3951000      0.6448000      0.5522000
  1 1 1      20   15    0 o    9.468000      0.3301000       9.468000 0.3301000                  ?              ?              ?              ?
  1 1 1      20   15    1 o    11.27000      0.2273000       10.97000 0.3256000       11.58000      0.3172000     -0.6084000      0.4546000
  1 1 1      20   15    2 o    11.24000      0.3107000                  ?       ?   11.24000      0.3107000                  ?              ?
  1 1 1      20   15    3 o    2.631000      0.5522000       2.939000 0.6651000       2.323000      0.8817000      0.6167000       1.104000
  1 1 1      20   15    4 o    7.298000      0.2289000       6.886000 0.3423000       7.710000      0.3041000     -0.8240000      0.4579000
  1 1 1      20   15    5 o    1.884000      0.4646000       1.471000 0.6477000       2.297000      0.6661000     -0.8265000      0.9291000
  1 1 1      20   15    6 o    2.945000      0.4377000       3.073000 0.6061000       2.816000      0.6316000      0.2573000      0.8754000
  1 1 1      20   15    7 o    7.196000      0.2206000       7.037000 0.3198000       7.355000      0.3040000     -0.3184000      0.4412000
  1 1 1      20   15    8 f    3.287000      0.3612000       3.027000 0.5693000       3.547000      0.4446000     -0.5200000      0.7224000
  1 1 1      20   15    9 o    3.518000      0.3298000       3.917000 0.4618000       3.119000      0.4710000      0.7979000      0.6596000
  1 1 1      20   15   10 o    4.885000      0.2514000       4.980000 0.3746000       4.790000      0.3354000      0.1903000      0.5028000
  1 1 1      20   15   11 o    6.103000      0.2152000       6.114000 0.3160000       6.091000      0.2922000      0.2302000E-01  0.4305000
  1 1 1      20   15   12 o    8.715000      0.1885000       8.606000 0.2698000       8.823000      0.2634000     -0.2171000      0.3771000
  1 1 1      20   15   13 o    7.825000      0.1837000       7.905000 0.2658000       7.745000      0.2537000      0.1600000      0.3674000
  1 1 1      20   15   14 o    9.822000      0.1833000       10.13000 0.2617000       9.512000      0.2567000      0.6203000      0.3666000
  1 1 1      20   15   15 o    7.972000      0.1721000       8.005000 0.2407000       7.940000      0.2460000      0.6570000E-01  0.3442000
  1 1 1      20   15   16 o    1.796000      0.3925000       1.918000 0.5641000       1.675000      0.5459000      0.2427000      0.7850000
  1 1 1      20   15   17 o    17.09000      0.2468000       17.20000 0.3472000       16.97000      0.3509000      0.2243000      0.4937000
  1 1 1      20   15   18 o    4.870000      0.2236000       5.166000 0.2742000       4.574000      0.3533000      0.5923000      0.4472000
  1 1 1      20   15   19 o    4.887000      0.2385000       5.021000 0.2856000       4.753000      0.3820000      0.2681000      0.4769000
  1 1 1      20   15   20 o    4.857000      0.2746000       4.828000 0.3263000       4.887000      0.4418000     -0.5896000E-01  0.5492000
  1 1 1      20   15   21 o    9.420000      0.2572000       9.771000 0.3423000       9.069000      0.3841000      0.7012000      0.5145000
  1 1 1      20   15   22 o    2.649000      0.6536000       1.620000 0.6181000       3.677000       1.152000      -2.057000       1.307000
  1 1 1      20   15   23 o    4.462000      0.7464000       5.058000 0.9209000       3.867000       1.175000       1.191000       1.493000
  1 1 1      20   15   24 o    3.711000      0.6626000       3.864000 0.8726000       3.559000      0.9974000      0.3057000       1.325000
  1 1 1      20   15   25 o    5.072000      0.4190000       5.692000 0.4790000       4.452000      0.6877000       1.240000      0.8381000
  1 1 1      20   15   26 o    8.151000      0.2915000       8.260000 0.4272000       8.043000      0.3968000      0.2174000      0.5830000
  1 1 1      20   15   27 o    4.022000      0.4313000       4.731000 0.5295000       3.314000      0.6810000       1.416000      0.8626000
  1 1 1      20   15   28 o    3.195000      0.5201000       3.608000 0.7056000       2.782000      0.7644000      0.8262000       1.040000
  1 1 1      20   15   29 o    3.816000      0.4840000       3.689000 0.7397000       3.943000      0.6242000     -0.2536000      0.9679000
  1 1 1      20   15   30 o    3.026000      0.4975000       2.547000 0.6659000       3.505000      0.7395000     -0.9579000      0.9951000
  1 1 1      20   15   31 o    2.078000      0.4943000       1.962000 0.6919000       2.194000      0.7062000     -0.2319000      0.9886000
  1 1 1      20   16    0 o    6.018000      0.3628000       6.711000 0.5121000       5.324000      0.5140000       1.387000      0.7256000
  1 1 1      20   16    1 o    3.172000      0.6194000       3.632000 0.8130000       2.711000      0.9348000      0.9211000       1.239000
  1 1 1      20   16    2 o    17.08000      0.3793000                  ?       ?   17.08000      0.3793000                  ?              ?
  1 1 1      20   16    3 o    7.465000      0.2323000       7.200000 0.3427000       7.729000      0.3137000     -0.5298000      0.4646000
  1 1 1      20   16    4 o    11.71000      0.2271000       11.75000 0.3254000       11.67000      0.3169000      0.7792000E-01  0.4542000
  1 1 1      20   16    5 o    4.821000      0.2850000       4.803000 0.4078000       4.838000      0.3983000     -0.3481000E-01  0.5700000
  1 1 1      20   16    6 o    7.073000      0.2211000       7.030000 0.3236000       7.117000      0.3014000     -0.8639000E-01  0.4423000
  1 1 1      20   16    7 o    5.141000      0.2555000       5.105000 0.3728000       5.177000      0.3494000     -0.7140000E-01  0.5110000
  1 1 1      20   16    8 o    5.568000      0.2421000       5.476000 0.3739000       5.661000      0.3077000     -0.1855000      0.4843000
  1 1 1      20   16    9 o    7.115000      0.2103000       6.957000 0.3154000       7.273000      0.2781000     -0.3158000      0.4205000
  1 1 1      20   16   10 o    4.001000      0.2971000       3.514000 0.4816000       4.489000      0.3480000     -0.9753000      0.5942000
  1 1 1      20   16   11 o    5.700000      0.2236000       5.265000 0.3428000       6.135000      0.2872000     -0.8692000      0.4472000
  1 1 1      20   16   12 o    6.475000      0.1994000       6.503000 0.2910000       6.447000      0.2726000      0.5534000E-01  0.3988000
  1 1 1      20   16   13 o    4.455000      0.2254000       4.662000 0.3218000       4.248000      0.3158000      0.4139000      0.4509000
  1 1 1      20   16   14 o    3.493000      0.2662000       3.415000 0.4030000       3.571000      0.3480000     -0.1559000      0.5325000
  1 1 1      20   16   15 o    6.159000      0.1797000       6.060000 0.2573000       6.257000      0.2511000     -0.1968000      0.3595000
  1 1 1      20   16   16 o    4.265000      0.3870000       4.723000 0.2778000       3.806000      0.7225000      0.9171000      0.7741000
  1 1 1      20   16   17 o    15.14000      0.2256000       15.19000 0.3159000       15.09000      0.3222000      0.1008000      0.4512000
  1 1 1      20   16   18 o    8.529000      0.1881000       8.547000 0.2451000       8.510000      0.2855000      0.3671000E-01  0.3763000
  1 1 1      20   16   19 o    8.261000      0.2203000       8.544000 0.2646000       7.978000      0.3523000      0.5655000      0.4406000
  1 1 1      20   16   20 o    2.192000      0.5206000       2.075000 0.6606000       2.309000      0.8047000     -0.2338000       1.041000
  1 1 1      20   16   21 o    3.754000      0.3680000       3.882000 0.4299000       3.626000      0.5974000      0.2562000      0.7361000
  1 1 1      20   16   22 o    3.742000      0.6228000       2.956000 1.147000       4.527000      0.4860000      -1.571000       1.246000
  1 1 1      20   16   23 o    2.928000      0.4395000       3.175000 0.5083000       2.682000      0.7172000      0.4926000      0.8791000
  1 1 1      20   16   24 o    1.586000      0.4543000       1.435000 0.5848000       1.736000      0.6954000     -0.3008000      0.9086000
  1 1 1      20   16   25 o    7.205000      0.1980000       7.382000 0.2608000       7.027000      0.2981000      0.3548000      0.3961000
  1 1 1      20   16   26 o    5.918000      0.2127000       6.015000 0.2862000       5.820000      0.3147000      0.1946000      0.4254000
  1 1 1      20   16   27 f    2.761000      0.4209000       2.967000 0.5428000       2.555000      0.6434000      0.4122000      0.8418000
  1 1 1      20   16   28 o    6.543000      0.2163000       6.669000 0.3045000       6.417000      0.3074000      0.2518000      0.4326000
  1 1 1      20   16   29 o    1.241000      0.4060000       1.336000 0.6004000       1.146000      0.5467000      0.1896000      0.8120000
  1 1 1      20   16   30 o    2.226000      0.5096000       2.277000 0.7100000       2.176000      0.7310000      0.1009000       1.019000
  1 1 1      20   16   31 o    1.432000      0.4407000       1.114000 0.5388000       1.751000      0.6976000     -0.6363000      0.8814000
  1 1 1      20   17    0 o    10.34000      0.2315000       10.20000 0.3346000       10.49000      0.3200000     -0.2826000      0.4630000
  1 1 1      20   17    1 o    7.847000      0.3660000       8.126000 0.4836000       7.569000      0.5497000      0.5568000      0.7321000
  1 1 1      20   17    2 o    14.98000      0.3638000       15.61000 0.5169000       14.36000      0.5121000       1.248000      0.7276000
  1 1 1      20   17    3 o    3.725000      0.4036000       3.659000 0.6152000       3.792000      0.5225000     -0.1333000      0.8071000
  1 1 1      20   17    4 o    6.862000      0.2356000       6.805000 0.3504000       6.920000      0.3150000     -0.1144000      0.4711000
  1 1 1      20   17    5 o    3.500000      0.3694000       3.404000 0.5582000       3.595000      0.4841000     -0.1913000      0.7389000
  1 1 1      20   17    6 o    6.831000      0.2268000       6.746000 0.3318000       6.917000      0.3094000     -0.1711000      0.4536000
  1 1 1      20   17    7 o    5.218000      0.2650000       5.409000 0.3913000       5.026000      0.3575000      0.3827000      0.5300000
  1 1 1      20   17    8 o    6.629000      0.2261000       6.505000 0.3396000       6.753000      0.2986000     -0.2486000      0.4522000
  1 1 1      20   17    9 o    7.526000      0.2032000       7.460000 0.2916000       7.591000      0.2832000     -0.1310000      0.4064000
  1 1 1      20   17   10 o    11.21000      0.2075000       11.32000 0.2960000       11.10000      0.2910000      0.2153000      0.4151000
  1 1 1      20   17   11 o    6.806000      0.2036000       7.056000 0.2869000       6.556000      0.2889000      0.5003000      0.4072000
  1 1 1      20   17   12 o    3.313000      0.3230000       2.810000 0.5384000       3.817000      0.3568000      -1.008000      0.6459000
  1 1 1      20   17   13 o    7.464000      0.1857000       7.630000 0.2621000       7.299000      0.2632000      0.3310000      0.3714000
  1 1 1      20   17   14 o    4.157000      0.2250000       4.383000 0.3114000       3.931000      0.3247000      0.4519000      0.4499000
  1 1 1      20   17   15 o    6.856000      0.1775000       7.031000 0.2464000       6.680000      0.2555000      0.3508000      0.3549000
  1 1 1      20   17   16 o    6.948000      0.1762000       6.965000 0.2402000       6.930000      0.2578000      0.3488000E-01  0.3524000
  1 1 1      20   17   17 o    8.262000      0.1846000       8.199000 0.2487000       8.325000      0.2729000     -0.1267000      0.3693000
  1 1 1      20   17   18 o    8.641000      0.1935000       8.751000 0.2502000       8.532000      0.2954000      0.2192000      0.3871000
  1 1 1      20   17   19 o    7.529000      0.2395000       7.588000 0.2883000       7.469000      0.3826000      0.1184000      0.4790000
  1 1 1      20   17   20 o    2.087000      0.5162000       2.021000 0.6645000       2.153000      0.7900000     -0.1324000       1.032000
  1 1 1      20   17   21 o    3.087000      0.4613000       2.796000 0.6243000       3.378000      0.6793000     -0.5819000      0.9226000
  1 1 1      20   17   22 o    5.664000      0.2975000       5.046000 0.3911000       6.282000      0.4484000      -1.236000      0.5950000
  1 1 1      20   17   23 o    1.663000      0.4773000       1.531000 0.6217000       1.796000      0.7243000     -0.2645000      0.9546000
  1 1 1      20   17   24 o    2.829000      0.4228000       2.895000 0.5415000       2.764000      0.6495000      0.1317000      0.8456000
  1 1 1      20   17   25 o    4.241000      0.3001000       4.417000 0.3919000       4.065000      0.4547000      0.3527000      0.6002000
  1 1 1      20   17   26 o    1.948000      0.4765000       2.195000 0.6575000       1.700000      0.6898000      0.4951000      0.9530000
  1 1 1      20   17   27 o    7.761000      0.2074000       7.833000 0.2846000       7.688000      0.3017000      0.1445000      0.4148000
  1 1 1      20   17   28 o    6.185000      0.2433000       6.053000 0.3446000       6.318000      0.3436000     -0.2652000      0.4866000
  1 1 1      20   17   29 o    4.194000      0.4632000       4.194000 0.4632000                  ?              ?              ?              ?
  1 1 1      20   17   30 o    2.116000      0.5260000       1.839000 0.7172000       2.394000      0.7697000     -0.5558000       1.052000
  1 1 1      20   17   31 o    2.402000      0.9304000                  ?       ?   2.402000      0.9304000                  ?              ?
  1 1 1      20   18    0 o    5.723000      0.4135000       6.240000 0.3738000       5.207000      0.7377000       1.033000      0.8270000
  1 1 1      20   18    1 o    3.079000      0.4579000       2.982000 0.6910000       3.176000      0.6009000     -0.1939000      0.9157000
  1 1 1      20   18    2 o    4.543000      0.3361000       4.409000 0.5036000       4.678000      0.4453000     -0.2696000      0.6723000
  1 1 1      20   18    3 o    6.992000      0.3922000       7.069000 0.5059000       6.915000      0.5994000      0.1547000      0.7844000
  1 1 1      20   18    4 o    5.347000      0.4222000       4.573000 0.6090000       6.122000      0.5850000      -1.549000      0.8445000
  1 1 1      20   18    5 o    3.981000      0.3547000       3.788000 0.5568000       4.174000      0.4396000     -0.3863000      0.7094000
  1 1 1      20   18    6 o    4.437000      0.2997000       4.397000 0.4414000       4.478000      0.4055000     -0.8015000E-01  0.5994000
  1 1 1      20   18    7 o    6.219000      0.2375000       6.176000 0.3474000       6.263000      0.3238000     -0.8728000E-01  0.4749000
  1 1 1      20   18    8 o    5.079000      0.2622000       5.298000 0.3917000       4.861000      0.3488000      0.4363000      0.5244000
  1 1 1      20   18    9 o    6.295000      0.2227000       5.932000 0.3320000       6.658000      0.2969000     -0.7258000      0.4454000
  1 1 1      20   18   10 o    6.377000      0.2126000       6.436000 0.3083000       6.318000      0.2928000      0.1176000      0.4252000
  1 1 1      20   18   11 f    7.892000      0.1916000       7.947000 0.2762000       7.837000      0.2657000      0.1099000      0.3832000
  1 1 1      20   18   12 o    7.266000      0.1891000       7.380000 0.2664000       7.151000      0.2685000      0.2289000      0.3783000
  1 1 1      20   18   13 o    2.585000      0.3626000       2.167000 0.5776000       3.002000      0.4385000     -0.8344000      0.7252000
  1 1 1      20   18   14 o    8.672000      0.1822000       8.368000 0.2538000       8.976000      0.2614000     -0.6081000      0.3644000
  1 1 1      20   18   15 o    6.812000      0.1822000       6.591000 0.2530000       7.034000      0.2622000     -0.4425000      0.3644000
  1 1 1      20   18   16 o    4.901000      0.2127000       4.866000 0.2863000       4.935000      0.3146000     -0.6869000E-01  0.4254000
  1 1 1      20   18   17 o    2.667000      0.4204000       3.220000 0.4406000       2.113000      0.7162000       1.107000      0.8409000
  1 1 1      20   18   18 o    6.205000      0.2396000       6.264000 0.2911000       6.146000      0.3806000      0.1183000      0.4792000
  1 1 1      20   18   19 o    5.128000      0.2996000       5.032000 0.3597000       5.225000      0.4792000     -0.1927000      0.5992000
  1 1 1      20   18   20 o    6.412000      0.2673000       6.494000 0.3360000       6.330000      0.4158000      0.1641000      0.5346000
  1 1 1      20   18   21 o    3.397000      0.4311000       3.396000 0.5317000       3.398000      0.6789000     -0.2466000E-02  0.8623000
  1 1 1      20   18   22 o    1.841000      0.4725000       1.121000 0.5343000       2.561000      0.7795000      -1.439000      0.9450000
  1 1 1      20   18   23 o    6.337000      0.2685000       6.343000 0.3164000       6.331000      0.4338000      0.1170000E-01  0.5370000
  1 1 1      20   18   24 o    1.590000      0.4660000       1.741000 0.6618000       1.439000      0.6563000      0.3019000      0.9320000
  1 1 1      20   18   25 o    1.750000      0.4978000       1.704000 0.6782000       1.795000      0.7288000     -0.9129000E-01  0.9956000
  1 1 1      20   18   26 o    1.851000      0.5122000       1.911000 0.7114000       1.791000      0.7371000      0.1204000       1.024000
  1 1 1      20   18   27 o    5.396000      0.2790000       5.817000 0.3777000       4.975000      0.4109000      0.8413000      0.5581000
  1 1 1      20   18   28 o    3.870000      0.4118000       4.276000 0.5296000       3.465000      0.6307000      0.8113000      0.8235000
  1 1 1      20   18   29 o    4.454000      0.5001000       4.454000 0.5001000                  ?              ?              ?              ?
  1 1 1      20   18   30 o    2.135000      0.5485000       2.000000 0.7547000       2.270000      0.7962000     -0.2703000       1.097000
  1 1 1      20   19    0 o    11.39000      0.3234000       11.00000 0.4716000       11.78000      0.4427000     -0.7783000      0.6469000
  1 1 1      20   19    1 o    7.333000      0.5489000       7.333000 0.5489000                  ?              ?              ?              ?
  1 1 1      20   19    2 o    6.997000      0.3653000       7.726000 0.3426000       6.268000      0.6453000       1.458000      0.7306000
  1 1 1      20   19    3 o    6.696000      0.3297000                  ?       ?   6.696000      0.3297000                  ?              ?
  1 1 1      20   19    4 o    7.212000      0.2485000       7.338000 0.3678000       7.085000      0.3343000      0.2525000      0.4970000
  1 1 1      20   19    5 o    7.202000      0.3772000       7.161000 0.5261000       7.243000      0.5407000     -0.8223000E-01  0.7544000
  1 1 1      20   19    6 o    6.237000      0.3869000       6.250000 0.4784000       6.223000      0.6082000      0.2653000E-01  0.7738000
  1 1 1      20   19    7 o    4.890000      0.4669000       4.099000 0.7046000       5.682000      0.6127000      -1.583000      0.9337000
  1 1 1      20   19    8 o    2.570000      0.4480000       2.026000 0.7032000       3.114000      0.5552000      -1.089000      0.8960000
  1 1 1      20   19    9 o    6.321000      0.2209000       6.312000 0.3183000       6.330000      0.3064000     -0.1776000E-01  0.4418000
  1 1 1      20   19   10 o    6.467000      0.2095000       6.579000 0.3036000       6.354000      0.2887000      0.2251000      0.4189000
  1 1 1      20   19   11 o    5.418000      0.2170000       5.734000 0.3112000       5.102000      0.3024000      0.6318000      0.4340000
  1 1 1      20   19   12 o    8.439000      0.1912000       8.333000 0.2735000       8.545000      0.2672000     -0.2122000      0.3823000
  1 1 1      20   19   13 o    2.705000      0.3592000       2.633000 0.5412000       2.777000      0.4726000     -0.1437000      0.7185000
  1 1 1      20   19   14 o    8.134000      0.1837000       7.819000 0.2529000       8.450000      0.2665000     -0.6304000      0.3674000
  1 1 1      20   19   15 o    10.01000      0.1853000       10.05000 0.2549000       9.963000      0.2689000      0.8388000E-01  0.3705000
  1 1 1      20   19   16 o    3.891000      0.2970000       4.086000 0.3681000       3.697000      0.4662000      0.3884000      0.5940000
  1 1 1      20   19   17 o    6.364000      0.2238000       6.310000 0.2831000       6.417000      0.3467000     -0.1069000      0.4476000
  1 1 1      20   19   18 o    5.744000      0.2924000       6.465000 0.3069000       5.024000      0.4979000       1.440000      0.5849000
  1 1 1      20   19   19 o    5.734000      0.2971000       5.648000 0.3612000       5.820000      0.4717000     -0.1717000      0.5942000
  1 1 1      20   19   20 o    3.853000      0.4296000       4.163000 0.4729000       3.544000      0.7173000      0.6183000      0.8591000
  1 1 1      20   19   21 o    1.636000      0.4590000       1.954000 0.6697000       1.318000      0.6279000      0.6365000      0.9180000
  1 1 1      20   19   22 o    3.316000      0.4458000       3.321000 0.5160000       3.311000      0.7271000      0.1024000E-01  0.8916000
  1 1 1      20   19   23 o    2.975000      0.4825000       3.246000 0.5392000       2.704000      0.8004000      0.5423000      0.9651000
  1 1 1      20   19   24 o    3.648000      0.4512000       3.898000 0.5131000       3.398000      0.7423000      0.5003000      0.9024000
  1 1 1      20   19   25 o    2.257000      0.5029000       2.812000 0.6856000       1.703000      0.7359000       1.109000       1.006000
  1 1 1      20   19   26 o    3.672000      0.4562000       4.587000 0.4399000       2.757000      0.7992000       1.831000      0.9123000
  1 1 1      20   19   27 o    1.732000      0.5208000       1.780000 0.7410000       1.684000      0.7321000      0.9542000E-01   1.042000
  1 1 1      20   19   28 o    2.647000      0.5393000       2.162000 0.7803000       3.132000      0.7446000     -0.9694000       1.079000
  1 1 1      20   19   29 o    2.577000      0.5497000       2.888000 0.7470000       2.267000      0.8066000      0.6203000       1.099000
  1 1 1      20   19   30 o    2.672000      0.5542000       3.142000 0.7473000       2.203000      0.8185000      0.9390000       1.108000
  1 1 1      20   20    0 o    7.494000      0.2521000       7.701000 0.3674000       7.288000      0.3454000      0.4130000      0.5042000
  1 1 1      20   20    1 o    10.36000      0.3350000       10.36000 0.3350000                  ?              ?              ?              ?
  1 1 1      20   20    2 o    4.617000      0.4471000       5.609000 0.6278000       3.625000      0.6369000       1.984000      0.8943000
  1 1 1      20   20    3 o    10.15000      0.3973000                  ?       ?   10.15000      0.3973000                  ?              ?
  1 1 1      20   20    4 o    4.631000      0.3133000       4.394000 0.4973000       4.869000      0.3811000     -0.4754000      0.6266000
  1 1 1      20   20    5 o    10.59000      0.2219000       10.79000 0.3213000       10.39000      0.3062000      0.3947000      0.4439000
  1 1 1      20   20    6 o    7.505000      0.2217000       7.480000 0.3217000       7.530000      0.3051000     -0.4966000E-01  0.4434000
  1 1 1      20   20    7 o    9.689000      0.2112000       9.241000 0.2955000       10.14000      0.3018000     -0.8960000      0.4224000
  1 1 1      20   20    8 o    10.43000      0.3225000       10.29000 0.4382000       10.57000      0.4731000     -0.2813000      0.6449000
  1 1 1      20   20    9 o    13.70000      0.3376000       13.73000 0.4632000       13.67000      0.4912000      0.5571000E-01  0.6751000
  1 1 1      20   20   11 o    5.337000      0.2348000       5.095000 0.3489000       5.579000      0.3142000     -0.4847000      0.4695000
  1 1 1      20   20   12 o    6.828000      0.1980000       6.875000 0.2879000       6.782000      0.2720000      0.9299000E-01  0.3961000
  1 1 1      20   20   13 o    4.133000      0.2569000       4.325000 0.3523000       3.940000      0.3740000      0.3855000      0.5138000
  1 1 1      20   20   14 o    2.132000      0.4027000       2.706000 0.5176000       1.558000      0.6172000       1.148000      0.8055000
  1 1 1      20   20   15 o    5.530000      0.2204000       5.590000 0.2937000       5.469000      0.3288000      0.1209000      0.4409000
  1 1 1      20   20   16 o    5.073000      0.2787000       5.458000 0.3191000       4.688000      0.4571000      0.7704000      0.5575000
  1 1 1      20   20   17 o    1.813000      0.4902000       1.846000 0.6636000       1.780000      0.7217000      0.6608000E-01  0.9805000
  1 1 1      20   20   18 o    2.092000      0.5266000       2.321000 0.7095000       1.863000      0.7782000      0.4584000       1.053000
  1 1 1      20   20   19 o    3.098000      0.5026000       2.804000 0.6549000       3.392000      0.7627000     -0.5875000       1.005000
  1 1 1      20   20   20 o    5.503000      0.3027000       5.544000 0.3664000       5.463000      0.4818000      0.8125000E-01  0.6053000
  1 1 1      20   20   21 o    2.103000      0.5364000       1.824000 0.6909000       2.383000      0.8206000     -0.5587000       1.073000
  1 1 1      20   20   22 o    2.424000      0.5262000       2.002000 0.7052000       2.846000      0.7813000     -0.8444000       1.052000
  1 1 1      20   20   23 o    7.976000      0.2860000       8.064000 0.3808000       7.887000      0.4269000      0.1772000      0.5721000
  1 1 1      20   20   24 o    4.340000      0.7893000       4.407000 1.029000       4.272000       1.197000      0.1354000       1.579000
  1 1 1      20   20   25 o    5.397000      0.3673000       6.257000 0.3876000       4.537000      0.6240000       1.720000      0.7346000
  1 1 1      20   20   26 o    6.024000      0.3022000       6.228000 0.3923000       5.820000      0.4597000      0.4089000      0.6044000
  1 1 1      20   20   27 o    2.100000      0.5549000       1.663000 0.7255000       2.538000      0.8399000     -0.8750000       1.110000
  1 1 1      20   20   28 o    2.475000      0.5655000       1.985000 0.7734000       2.964000      0.8251000     -0.9780000       1.131000
  1 1 1      20   20   29 o    2.165000      0.5583000       2.638000 0.8237000       1.692000      0.7537000      0.9454000       1.117000
  1 1 1      20   21    0 o    3.188000      0.4777000       3.320000 0.6562000       3.056000      0.6944000      0.2641000      0.9554000
  1 1 1      20   21    1 o    10.83000      0.2942000       11.53000 0.4953000       10.13000      0.3175000       1.410000      0.5884000
  1 1 1      20   21    2 o    8.791000      0.2376000       8.599000 0.3536000       8.983000      0.3174000     -0.3841000      0.4751000
  1 1 1      20   21    3 o    5.863000      0.2699000       5.732000 0.4045000       5.995000      0.3575000     -0.2629000      0.5398000
  1 1 1      20   21    4 o    8.450000      0.3002000       8.931000 0.4611000       7.969000      0.3846000      0.9624000      0.6004000
  1 1 1      20   21    5 o    6.724000      0.3131000       6.694000 0.4852000       6.754000      0.3959000     -0.5939000E-01  0.6262000
  1 1 1      20   21    6 o    6.596000      0.3133000       6.479000 0.4915000       6.713000      0.3885000     -0.2335000      0.6265000
  1 1 1      20   21    7 o    1.674000      0.4648000       1.876000 0.6907000       1.472000      0.6221000      0.4048000      0.9296000
  1 1 1      20   21    8 o    2.053000      0.4416000       2.616000 0.6498000       1.491000      0.5982000       1.125000      0.8832000
  1 1 1      20   21    9 o    6.425000      0.2175000       6.463000 0.3100000       6.387000      0.3051000      0.7615000E-01  0.4350000
  1 1 1      20   21   10 o    4.258000      0.2776000       4.412000 0.4014000       4.103000      0.3834000      0.3095000      0.5551000
  1 1 1      20   21   11 o    6.191000      0.1928000       5.795000 0.2739000       6.588000      0.2713000     -0.7924000      0.3855000
  1 1 1      20   21   12 o    9.000000      0.3189000       9.800000 0.4002000       8.200000      0.4966000       1.600000      0.6378000
  1 1 1      20   21   13 o    7.291000      0.3261000       7.246000 0.4321000       7.336000      0.4884000     -0.8972000E-01  0.6522000
  1 1 1      20   21   14 o    6.000000      0.3717000       6.295000 0.4341000       5.706000      0.6036000      0.5888000      0.7435000
  1 1 1      20   21   15 o    1.847000      0.5507000       1.476000 0.6642000       2.218000      0.8787000     -0.7416000       1.101000
  1 1 1      20   21   16 o    7.983000      0.3039000       7.537000 0.3962000       8.430000      0.4610000     -0.8921000      0.6079000
  1 1 1      20   21   17 o    10.92000      0.2636000       10.78000 0.2971000       11.06000      0.4356000     -0.2863000      0.5273000
  1 1 1      20   21   18 o    8.489000      0.2761000       8.145000 0.3256000       8.833000      0.4461000     -0.6880000      0.5523000
  1 1 1      20   21   19 o    3.337000      0.4722000       3.412000 0.5382000       3.262000      0.7761000      0.1509000      0.9445000
  1 1 1      20   21   20 o    4.850000      0.3676000       4.531000 0.4615000       5.168000      0.5724000     -0.6375000      0.7353000
  1 1 1      20   21   21 o    1.684000      0.4922000       1.861000 0.7005000       1.507000      0.6915000      0.3543000      0.9843000
  1 1 1      20   21   22 o    2.057000      0.5530000       1.929000 0.7281000       2.185000      0.8325000     -0.2562000       1.106000
  1 1 1      20   21   23 o    2.422000      0.5623000       2.803000 0.7749000       2.040000      0.8151000      0.7630000       1.125000
  1 1 1      20   21   24 o    3.611000      0.6411000       2.793000 1.105000       4.429000      0.6499000      -1.636000       1.282000
  1 1 1      20   21   25 o    5.066000      0.3830000       5.197000 0.4825000       4.934000      0.5949000      0.2638000      0.7660000
  1 1 1      20   21   26 o    4.385000      0.4511000       4.218000 0.6289000       4.552000      0.6468000     -0.3336000      0.9022000
  1 1 1      20   21   27 o    4.144000      0.5454000       3.083000 0.7824000       5.205000      0.7600000      -2.121000       1.091000
  1 1 1      20   21   28 o    3.494000      0.6586000       3.976000 0.8382000       3.013000       1.016000      0.9634000       1.317000
  1 1 1      20   21   29 f    2.379000      0.6762000       2.448000 0.9395000       2.309000      0.9728000      0.1390000       1.352000
  1 1 1      20   22    0 o    11.77000      0.2432000       11.51000 0.3491000       12.02000      0.3388000     -0.5161000      0.4865000
  1 1 1      20   22    1 o    9.073000      0.2396000       9.097000 0.3443000       9.050000      0.3334000      0.4651000E-01  0.4793000
  1 1 1      20   22    2 o    5.064000      0.3034000       5.551000 0.4268000       4.576000      0.4312000      0.9751000      0.6067000
  1 1 1      20   22    3 o    6.132000      0.2846000       5.674000 0.4469000       6.590000      0.3525000     -0.9163000      0.5692000
  1 1 1      20   22    4 o    10.21000      0.2279000       10.21000 0.3272000       10.21000      0.3174000      0.2156000E-02  0.4558000
  1 1 1      20   22    5 o    7.989000      0.2284000       7.776000 0.3389000       8.201000      0.3062000     -0.4246000      0.4568000
  1 1 1      20   22    6 o    4.021000      0.3320000       4.161000 0.4646000       3.881000      0.4743000      0.2795000      0.6639000
  1 1 1      20   22    7 o    4.256000      0.3382000       3.731000 0.5257000       4.781000      0.4257000      -1.050000      0.6764000
  1 1 1      20   22    8 o    10.16000      0.2730000       10.17000 0.4072000       10.16000      0.3637000      0.3269000E-02  0.5460000
  1 1 1      20   22    9 o    12.82000      0.2945000       12.93000 0.4324000       12.70000      0.4000000      0.2330000      0.5891000
  1 1 1      20   22   10 o    5.824000      0.2799000       5.817000 0.4290000       5.832000      0.3595000     -0.1501000E-01  0.5597000
  1 1 1      20   22   11 o    8.429000      0.2325000       8.645000 0.3771000       8.214000      0.2721000      0.4315000      0.4650000
  1 1 1      20   22   12 o    8.191000      0.2008000       7.970000 0.2819000       8.412000      0.2859000     -0.4424000      0.4015000
  1 1 1      20   22   13 f    3.581000      0.3306000       3.244000 0.5050000       3.918000      0.4267000     -0.6740000      0.6611000
  1 1 1      20   22   14 o    4.077000      0.3053000       4.173000 0.4015000       3.982000      0.4600000      0.1905000      0.6106000
  1 1 1      20   22   15 o    2.496000      0.4863000       2.927000 0.6033000       2.066000      0.7629000      0.8613000      0.9726000
  1 1 1      20   22   16 o    10.30000      0.2205000       10.71000 0.2947000       9.883000      0.3281000      0.8242000      0.4410000
  1 1 1      20   22   17 o    3.566000      0.4625000       3.326000 0.5921000       3.806000      0.7107000     -0.4800000      0.9250000
  1 1 1      20   22   18 o    3.372000      0.5058000       4.048000 0.5071000       2.696000      0.8754000       1.352000       1.012000
  1 1 1      20   22   19 o    7.976000      0.2960000       8.340000 0.3834000       7.612000      0.4509000      0.7282000      0.5919000
  1 1 1      20   22   20 o    3.415000      0.5083000       4.156000 0.5254000       2.674000      0.8702000       1.483000       1.017000
  1 1 1      20   22   21 o    1.768000      0.5349000       1.744000 0.7326000       1.792000      0.7797000     -0.4843000E-01   1.070000
  1 1 1      20   22   22 o    5.091000      0.4012000       5.244000 0.5233000       4.939000      0.6083000      0.3050000      0.8025000
  1 1 1      20   22   23 o    2.760000      0.6207000       2.397000 0.8456000       3.123000      0.9089000     -0.7261000       1.241000
  1 1 1      20   22   24 o    7.276000      0.3651000       7.442000 0.4489000       7.109000      0.5760000      0.3333000      0.7303000
  1 1 1      20   22   25 o    4.968000      0.4673000       4.937000 0.5268000       4.998000      0.7719000     -0.6080000E-01  0.9345000
  1 1 1      20   22   26 o    3.964000      0.5116000       4.414000 0.6173000       3.514000      0.8159000      0.9005000       1.023000
  1 1 1      20   22   27 o    3.904000      0.5164000       3.345000 0.7886000       4.464000      0.6668000      -1.118000       1.033000
  1 1 1      20   22   28 o    2.564000      0.6269000       2.442000 0.8612000       2.686000      0.9112000     -0.2435000       1.254000
  1 1 1      20   23    0 o    6.660000      0.2806000       6.831000 0.4028000       6.490000      0.3907000      0.3407000      0.5612000
  1 1 1      20   23    1 o    5.328000      0.3037000       5.383000 0.4568000       5.273000      0.4003000      0.1095000      0.6073000
  1 1 1      20   23    2 o    2.047000      0.5130000       2.627000 0.8008000       1.467000      0.6414000       1.160000       1.026000
  1 1 1      20   23    3 o    2.871000      0.4860000       3.036000 0.7360000       2.706000      0.6350000      0.3299000      0.9720000
  1 1 1      20   23    4 o    8.948000      0.2333000       8.650000 0.3479000       9.247000      0.3110000     -0.5966000      0.4667000
  1 1 1      20   23    5 o    7.509000      0.2390000       7.160000 0.3589000       7.857000      0.3157000     -0.6965000      0.4780000
  1 1 1      20   23    6 o    4.449000      0.2948000       4.696000 0.4241000       4.202000      0.4096000      0.4937000      0.5896000
  1 1 1      20   23    7 o    4.007000      0.3354000       4.014000 0.5044000       4.001000      0.4421000      0.1206000E-01  0.6708000
  1 1 1      20   23    8 o    5.323000      0.2534000       5.403000 0.3645000       5.243000      0.3521000      0.1602000      0.5068000
  1 1 1      20   23    9 o    2.358000      0.4433000       1.859000 0.6980000       2.858000      0.5469000     -0.9997000      0.8867000
  1 1 1      20   23   10 o    6.132000      0.2275000       6.009000 0.3263000       6.256000      0.3171000     -0.2469000      0.4550000
  1 1 1      20   23   11 o    5.430000      0.2437000       5.148000 0.3548000       5.712000      0.3341000     -0.5647000      0.4874000
  1 1 1      20   23   12 o    5.044000      0.3268000       4.614000 0.5072000       5.474000      0.4123000     -0.8601000      0.6537000
  1 1 1      20   23   13 o    7.720000      0.2627000       7.976000 0.3760000       7.464000      0.3669000      0.5119000      0.5254000
  1 1 1      20   23   14 f    8.252000      0.3047000       8.413000 0.4117000       8.092000      0.4495000      0.3201000      0.6095000
  1 1 1      20   23   15 o    2.721000      0.6444000       2.575000 0.8876000       2.866000      0.9344000     -0.2909000       1.289000
  1 1 1      20   23   16 o    7.055000      0.4212000       7.368000 0.5144000       6.743000      0.6672000      0.6251000      0.8425000
  1 1 1      20   23   17 o    3.111000      0.8320000       2.848000 1.094000       3.375000       1.254000     -0.5269000       1.664000
  1 1 1      20   23   18 o    5.485000      0.7370000       6.536000 0.8033000       4.435000       1.236000       2.101000       1.474000
  1 1 1      20   23   19 o    4.038000      0.9301000       3.419000 1.249000       4.658000       1.379000      -1.239000       1.860000
  1 1 1      20   23   20 o    2.592000      0.8123000       2.762000 1.162000       2.423000       1.135000      0.3387000       1.625000
  1 1 1      20   23   21 o    3.491000      0.9084000       2.470000 1.131000       4.511000       1.422000      -2.041000       1.817000
  1 1 1      20   23   22 o    2.432000      0.8053000       2.262000 1.071000       2.602000       1.203000     -0.3398000       1.611000
  1 1 1      20   23   23 o    2.972000      0.8588000       2.327000 1.068000       3.616000       1.345000      -1.289000       1.718000
  1 1 1      20   23   24 o    3.527000      0.8657000       3.677000 1.229000       3.377000       1.220000      0.3003000       1.731000
  1 1 1      20   23   25 o    2.957000      0.8097000       3.463000 1.206000       2.452000       1.080000       1.011000       1.619000
  1 1 1      20   23   26 o    2.623000      0.7788000       2.700000 1.129000       2.546000       1.073000      0.1535000       1.558000
  1 1 1      20   23   27 o    2.615000      0.7381000       2.988000 1.104000       2.241000      0.9796000      0.7472000       1.476000
  1 1 1      20   24    0 o    5.078000      0.3237000       4.914000 0.4771000       5.242000      0.4377000     -0.3285000      0.6474000
  1 1 1      20   24    1 o    9.602000      0.2397000       9.541000 0.3503000       9.663000      0.3272000     -0.1218000      0.4794000
  1 1 1      20   24    2 o    3.295000      0.7214000       3.295000 0.7214000                  ?              ?              ?              ?
  1 1 1      20   24    3 o    3.975000      0.3835000       3.514000 0.6029000       4.437000      0.4740000     -0.9234000      0.7669000
  1 1 1      20   24    4 o    4.712000      0.4194000                  ?       ?   4.712000      0.4194000                  ?              ?
  1 1 1      20   24    5 o    5.507000      0.2778000       5.144000 0.4293000       5.870000      0.3526000     -0.7265000      0.5555000
  1 1 1      20   24    6 f    5.736000      0.2528000       5.822000 0.3647000       5.650000      0.3502000      0.1728000      0.5056000
  1 1 1      20   24    7 o    7.945000      0.2202000       8.194000 0.3123000       7.697000      0.3107000      0.4971000      0.4405000
  1 1 1      20   24    8 o    6.795000      0.2254000       6.801000 0.3257000       6.789000      0.3117000      0.1116000E-01  0.4508000
  1 1 1      20   24    9 o    4.178000      0.2961000       4.524000 0.4313000       3.833000      0.4057000      0.6910000      0.5922000
  1 1 1      20   24   10 o    10.96000      0.2143000       11.20000 0.3043000       10.71000      0.3018000      0.4963000      0.4286000
  1 1 1      20   24   11 o    9.163000      0.2091000       9.412000 0.2887000       8.913000      0.3025000      0.4986000      0.4182000
  1 1 1      20   24   12 o    1.739000      0.4804000       1.630000 0.6649000       1.847000      0.6936000     -0.2168000      0.9608000
  1 1 1      20   24   13 o    7.083000      0.2381000       7.070000 0.3172000       7.096000      0.3552000     -0.2548000E-01  0.4762000
  1 1 1      20   24   14 o    6.921000      0.2507000       6.620000 0.3361000       7.223000      0.3721000     -0.6036000      0.5014000
  1 1 1      20   24   15 o    1.604000      0.4851000       1.759000 0.7003000       1.448000      0.6715000      0.3111000      0.9702000
  1 1 1      20   24   16 o    4.417000      0.3967000       3.938000 0.5343000       4.895000      0.5866000     -0.9566000      0.7934000
  1 1 1      20   24   17 o    3.566000      0.5108000       3.182000 0.6855000       3.949000      0.7574000     -0.7671000       1.022000
  1 1 1      20   24   18 o    1.589000      0.5050000       1.501000 0.6631000       1.678000      0.7618000     -0.1762000       1.010000
  1 1 1      20   24   19 o    2.883000      0.5679000       2.274000 0.7630000       3.492000      0.8414000      -1.218000       1.136000
  1 1 1      20   24   20 o    1.892000      0.5630000       1.882000 0.7691000       1.902000      0.8225000     -0.1936000E-01   1.126000
  1 1 1      20   24   21 o    1.931000      0.5685000       2.078000 0.8109000       1.784000      0.7969000      0.2944000       1.137000
  1 1 1      20   24   22 o    3.328000      0.6348000       3.491000 0.8001000       3.165000      0.9857000      0.3262000       1.270000
  1 1 1      20   24   23 o    2.829000      0.6238000       3.298000 0.8216000       2.360000      0.9388000      0.9377000       1.248000
  1 1 1      20   24   24 o    2.145000      0.6262000       2.074000 0.8528000       2.217000      0.9172000     -0.1427000       1.252000
  1 1 1      20   24   25 o    2.102000      0.6014000       2.529000 0.9112000       1.676000      0.7852000      0.8521000       1.203000
  1 1 1      20   24   26 o    2.874000      0.6585000       3.072000 0.9000000       2.676000      0.9615000      0.3966000       1.317000
  1 1 1      20   24   27 o    2.435000      0.6377000       2.485000 0.8883000       2.385000      0.9153000      0.9928000E-01   1.275000
  1 1 1      20   25    0 o    9.590000      0.2434000       9.914000 0.3480000       9.265000      0.3403000      0.6488000      0.4867000
  1 1 1      20   25    1 o    9.943000      0.2440000       9.747000 0.3499000       10.14000      0.3403000     -0.3910000      0.4880000
  1 1 1      20   25    2 f    5.314000      0.4729000       5.314000 0.4729000                  ?              ?              ?              ?
  1 1 1      20   25    3 o    7.464000      0.2475000       7.429000 0.3593000       7.499000      0.3403000     -0.7080000E-01  0.4949000
  1 1 1      20   25    4 o    6.324000      0.3602000                  ?       ?   6.324000      0.3602000                  ?              ?
  1 1 1      20   25    5 o    12.98000      0.2341000       13.10000 0.3355000       12.86000      0.3265000      0.2479000      0.4682000
  1 1 1      20   25    6 o    5.090000      0.2840000       5.220000 0.4026000       4.959000      0.4008000      0.2605000      0.5681000
  1 1 1      20   25    7 o    8.199000      0.2174000       8.232000 0.3033000       8.167000      0.3114000      0.6515000E-01  0.4347000
  1 1 1      20   25    8 o    3.931000      0.3514000       3.590000 0.5591000       4.271000      0.4257000     -0.6809000      0.7027000
  1 1 1      20   25    9 o    4.685000      0.2942000       4.424000 0.4562000       4.946000      0.3717000     -0.5223000      0.5885000
  1 1 1      20   25   10 o    7.093000      0.2272000       6.987000 0.3198000       7.199000      0.3228000     -0.2119000      0.4544000
  1 1 1      20   25   11 o    4.462000      0.3242000       5.174000 0.3939000       3.751000      0.5150000       1.423000      0.6483000
  1 1 1      20   25   12 o    8.328000      0.2198000       8.238000 0.3040000       8.419000      0.3174000     -0.1809000      0.4395000
  1 1 1      20   25   13 o    5.474000      0.2951000       5.311000 0.3878000       5.638000      0.4450000     -0.3266000      0.5903000
  1 1 1      20   25   14 o    2.509000      0.5394000       2.063000 0.7289000       2.954000      0.7953000     -0.8906000       1.079000
  1 1 1      20   25   15 o    1.760000      0.5284000       1.598000 0.6851000       1.922000      0.8046000     -0.3249000       1.057000
  1 1 1      20   25   16 o    4.350000      0.4814000       5.238000 0.4398000       3.461000      0.8565000       1.778000      0.9628000
  1 1 1      20   25   17 o    3.712000      0.4964000       3.829000 0.5772000       3.594000      0.8078000      0.2354000      0.9928000
  1 1 1      20   25   18 o    2.616000      0.5923000       2.592000 0.7787000       2.641000      0.8928000     -0.4953000E-01   1.185000
  1 1 1      20   25   19 o    3.618000      0.5333000       3.589000 0.6265000       3.647000      0.8631000     -0.5748000E-01   1.067000
  1 1 1      20   25   20 o    2.856000      0.6018000       3.354000 0.7713000       2.358000      0.9241000      0.9958000       1.204000
  1 1 1      20   25   21 o    2.625000      0.6533000       2.746000 0.8692000       2.505000      0.9755000      0.2415000       1.307000
  1 1 1      20   25   22 o    5.452000      0.4579000       5.649000 0.5326000       5.254000      0.7449000      0.3951000      0.9158000
  1 1 1      20   25   23 o    2.001000      0.5998000       2.284000 0.8842000       1.718000      0.8106000      0.5663000       1.200000
  1 1 1      20   25   24 o    2.472000      0.6430000       2.790000 0.9058000       2.154000      0.9128000      0.6357000       1.286000
  1 1 1      20   25   25 o    1.883000      0.5904000       1.982000 0.8508000       1.785000      0.8188000      0.1967000       1.181000
  1 1 1      20   25   26 o    2.084000      0.6127000       1.682000 0.7729000       2.487000      0.9509000     -0.8048000       1.225000
  1 1 1      20   26    0 o    6.631000      0.2856000       6.606000 0.4145000       6.657000      0.3931000     -0.5066000E-01  0.5713000
  1 1 1      20   26    1 o    2.682000      0.5421000       2.624000 0.7861000       2.740000      0.7468000     -0.1166000       1.084000
  1 1 1      20   26    2 o    7.457000      0.2484000       7.873000 0.3566000       7.040000      0.3460000      0.8338000      0.4969000
  1 1 1      20   26    3 o    11.52000      0.2336000       11.81000 0.3362000       11.23000      0.3245000      0.5761000      0.4673000
  1 1 1      20   26    4 o    11.15000      0.3223000       10.14000 0.3210000       12.15000      0.5590000      -2.011000      0.6446000
  1 1 1      20   26    5 o    11.37000      0.2276000       11.27000 0.3214000       11.47000      0.3223000     -0.2000000      0.4551000
  1 1 1      20   26    6 o    7.089000      0.2379000       7.232000 0.3426000       6.947000      0.3302000      0.2844000      0.4759000
  1 1 1      20   26    7 f    3.809000      0.3678000       3.870000 0.5389000       3.749000      0.5006000      0.1215000      0.7355000
  1 1 1      20   26    8 o    6.475000      0.2462000       6.359000 0.3558000       6.592000      0.3404000     -0.2329000      0.4924000
  1 1 1      20   26    9 o    1.691000      0.4849000       1.857000 0.7111000       1.525000      0.6593000      0.3319000      0.9697000
  1 1 1      20   26   10 o    5.066000      0.2934000       4.889000 0.4137000       5.244000      0.4162000     -0.3551000      0.5868000
  1 1 1      20   26   11 o    5.745000      0.2696000       5.698000 0.3774000       5.792000      0.3851000     -0.9481000E-01  0.5392000
  1 1 1      20   26   12 o    6.318000      0.2765000       6.209000 0.3745000       6.427000      0.4068000     -0.2181000      0.5530000
  1 1 1      20   26   13 o    3.300000      0.5003000       2.977000 0.6801000       3.622000      0.7339000     -0.6447000       1.001000
  1 1 1      20   26   14 o    2.918000      0.5460000       2.650000 0.7453000       3.187000      0.7982000     -0.5365000       1.092000
  1 1 1      20   26   15 o    1.834000      0.5498000       1.739000 0.7302000       1.929000      0.8220000     -0.1896000       1.100000
  1 1 1      20   26   16 o    5.692000      0.3484000       5.653000 0.4322000       5.731000      0.5465000     -0.7835000E-01  0.6968000
  1 1 1      20   26   17 f    4.786000      0.4451000       5.475000 0.4283000       4.097000      0.7803000       1.379000      0.8901000
  1 1 1      20   26   18 o    3.408000      0.5772000       3.650000 0.6927000       3.167000      0.9234000      0.4827000       1.154000
  1 1 1      20   26   19 o    2.470000      0.6404000       2.340000 0.8288000       2.600000      0.9765000     -0.2595000       1.281000
  1 1 1      20   26   20 o    2.965000      0.6787000       2.895000 0.8733000       3.035000       1.039000     -0.1395000       1.357000
  1 1 1      20   26   21 o    2.966000      0.6830000       2.874000 0.8885000       3.058000       1.038000     -0.1839000       1.366000
  1 1 1      20   26   22 f    4.655000      0.5535000       4.212000 0.7801000       5.099000      0.7856000     -0.8862000       1.107000
  1 1 1      20   26   23 o    2.884000      0.7009000       2.861000 0.9473000       2.908000       1.033000     -0.4630000E-01   1.402000
  1 1 1      20   26   24 o    2.261000      0.6369000       1.734000 0.7888000       2.788000       1.000000      -1.053000       1.274000
  1 1 1      20   26   25 f    3.921000      0.6230000       3.137000 0.9234000       4.704000      0.8366000      -1.567000       1.246000
  1 1 1      20   27    0 o    3.485000      0.4805000       3.941000 0.6283000       3.028000      0.7272000      0.9128000      0.9610000
  1 1 1      20   27    1 o    2.022000      0.5179000       2.604000 0.8097000       1.439000      0.6461000       1.165000       1.036000
  1 1 1      20   27    2 f    1.858000      0.5158000       1.695000 0.7201000       2.021000      0.7387000     -0.3256000       1.032000
  1 1 1      20   27    3 o    3.841000      0.4193000       3.896000 0.6317000       3.786000      0.5516000      0.1096000      0.8387000
  1 1 1      20   27    4 o    6.039000      0.2888000       5.818000 0.4289000       6.259000      0.3870000     -0.4410000      0.5776000
  1 1 1      20   27    5 o    13.07000      0.2410000       13.08000 0.3432000       13.06000      0.3386000      0.2884000E-01  0.4821000
  1 1 1      20   27    6 o    9.493000      0.2250000       9.593000 0.3275000       9.393000      0.3087000      0.1999000      0.4500000
  1 1 1      20   27    7 o    3.512000      0.4196000       3.390000 0.6655000       3.634000      0.5112000     -0.2443000      0.8391000
  1 1 1      20   27    8 o    9.443000      0.2316000       9.131000 0.3192000       9.756000      0.3355000     -0.6251000      0.4631000
  1 1 1      20   27    9 o    6.504000      0.3817000       5.754000 0.3838000       7.254000      0.6599000      -1.501000      0.7634000
  1 1 1      20   27   10 o    4.658000      0.3242000       4.846000 0.4423000       4.470000      0.4741000      0.3759000      0.6484000
  1 1 1      20   27   11 o    3.870000      0.4292000       3.219000 0.6807000       4.521000      0.5229000      -1.302000      0.8584000
  1 1 1      20   27   12 o    2.143000      0.5233000       2.740000 0.7651000       1.546000      0.7142000       1.194000       1.047000
  1 1 1      20   27   13 o    5.201000      0.3668000       5.449000 0.4397000       4.954000      0.5873000      0.4957000      0.7337000
  1 1 1      20   27   14 o    3.506000      0.5033000       2.835000 0.7253000       4.176000      0.6981000      -1.341000       1.007000
  1 1 1      20   27   15 o    4.323000      0.4493000       4.161000 0.5756000       4.485000      0.6902000     -0.3244000      0.8987000
  1 1 1      20   27   16 o    5.656000      0.3685000       5.838000 0.4444000       5.473000      0.5878000      0.3646000      0.7369000
  1 1 1      20   27   17 o    3.123000      0.6187000       3.182000 0.7974000       3.065000      0.9461000      0.1163000       1.237000
  1 1 1      20   27   18 o    3.016000      0.6207000       3.552000 0.7959000       2.481000      0.9527000       1.071000       1.241000
  1 1 1      20   27   19 o    2.974000      0.6807000       3.035000 0.8940000       2.914000       1.027000      0.1207000       1.361000
  1 1 1      20   27   20 o    3.012000      0.5895000       4.067000 0.7828000       1.956000      0.8815000       2.111000       1.179000
  1 1 1      20   27   21 o    3.099000      0.6727000       3.618000 0.8933000       2.579000       1.006000       1.039000       1.345000
  1 1 1      20   27   22 o    3.616000      0.8790000       3.969000 1.402000       3.264000       1.060000      0.7048000       1.758000
  1 1 1      20   27   23 o    5.016000      0.5729000       4.634000 0.8131000       5.397000      0.8072000     -0.7633000       1.146000
  1 1 1      20   27   24 o    3.236000      0.6252000       4.235000 0.7947000       2.237000      0.9653000       1.999000       1.250000
  1 1 1      20   28    0 o    3.889000      0.7345000       4.263000 0.8352000       3.514000       1.208000      0.7494000       1.469000
  1 1 1      20   28    1 o    1.114000      0.3885000       1.091000 0.5441000       1.137000      0.5545000     -0.4578000E-01  0.7769000
  1 1 1      20   28    2 o    1.831000      0.5071000       1.699000 0.7217000       1.963000      0.7125000     -0.2632000       1.014000
  1 1 1      20   28    3 o    7.021000      0.2705000       7.413000 0.3854000       6.629000      0.3797000      0.7844000      0.5410000
  1 1 1      20   28    4 o    6.968000      0.2599000       6.890000 0.3684000       7.046000      0.3667000     -0.1564000      0.5198000
  1 1 1      20   28    5 o    13.30000      0.3169000       13.32000 0.5303000       13.28000      0.3469000      0.4332000E-01  0.6338000
  1 1 1      20   28    6 f    3.711000      0.4306000       3.804000 0.6264000       3.617000      0.5911000      0.1871000      0.8613000
  1 1 1      20   28    7 o    2.620000      0.5327000       2.447000 0.7798000       2.794000      0.7260000     -0.3465000       1.065000
  1 1 1      20   28    8 o    2.158000      0.5011000       1.448000 0.6508000       2.869000      0.7623000      -1.420000       1.002000
  1 1 1      20   28    9 o    5.475000      0.2965000       5.296000 0.4164000       5.653000      0.4221000     -0.3569000      0.5929000
  1 1 1      20   28   10 o    6.534000      0.2836000       6.739000 0.3737000       6.329000      0.4266000      0.4097000      0.5672000
  1 1 1      20   28   11 o    2.312000      0.5674000       2.653000 0.7886000       1.970000      0.8161000      0.6832000       1.135000
  1 1 1      20   28   12 o    4.469000      0.4235000       4.419000 0.5493000       4.519000      0.6448000     -0.1003000      0.8470000
  1 1 1      20   28   13 o    3.328000      0.5305000       3.549000 0.6368000       3.107000      0.8487000      0.4418000       1.061000
  1 1 1      20   28   14 o    3.122000      0.5799000       2.517000 0.8309000       3.727000      0.8092000      -1.211000       1.160000
  1 1 1      20   28   15 o    5.368000      0.4269000       5.925000 0.5044000       4.810000      0.6888000       1.115000      0.8538000
  1 1 1      20   28   16 o    3.552000      0.5630000       4.694000 0.6378000       2.411000      0.9279000       2.283000       1.126000
  1 1 1      20   28   17 o    2.843000      0.6885000       2.807000 0.9240000       2.879000       1.021000     -0.7198000E-01   1.377000
  1 1 1      20   28   18 o    4.340000      0.6021000       4.789000 0.6908000       3.890000      0.9864000      0.8981000       1.204000
  1 1 1      20   28   19 o    3.246000      0.6654000       3.867000 0.8457000       2.626000       1.027000       1.241000       1.331000
  1 1 1      20   28   20 o    3.317000      0.7129000       3.518000 0.9465000       3.116000       1.066000      0.4022000       1.426000
  1 1 1      20   28   21 o    3.929000      0.6580000       4.748000 0.7689000       3.110000       1.068000       1.638000       1.316000
  1 1 1      20   28   22 o    2.327000      0.6646000       2.783000 1.004000       1.871000      0.8715000      0.9113000       1.329000
  1 1 1      20   28   23 o    2.170000      0.6681000       1.968000 0.8801000       2.372000       1.005000     -0.4036000       1.336000
  1 1 1      20   29    0 o    3.050000      0.5262000       2.583000 0.8120000       3.517000      0.6695000     -0.9337000       1.052000
  1 1 1      20   29    1 o    5.613000      0.3887000       5.834000 0.6387000       5.392000      0.4434000      0.4421000      0.7775000
  1 1 1      20   29    2 o    5.358000      0.6199000       4.526000 0.7815000       6.191000      0.9625000      -1.665000       1.240000
  1 1 1      20   29    3 o    7.798000      0.5374000       7.798000 0.5374000                  ?              ?              ?              ?
  1 1 1      20   29    4 o    2.552000      0.7141000       2.418000 0.9300000       2.685000       1.084000     -0.2666000       1.428000
  1 1 1      20   29    5 o    7.450000      0.7309000                  ?       ?   7.450000      0.7309000                  ?              ?
  1 1 1      20   29    6 o    10.34000      0.2460000       10.39000 0.3503000       10.30000      0.3455000      0.8240000E-01  0.4920000
  1 1 1      20   29    7 o    7.611000      0.2676000       7.858000 0.3716000       7.364000      0.3852000      0.4945000      0.5352000
  1 1 1      20   29    8 o    3.616000      0.4703000       3.846000 0.5893000       3.387000      0.7332000      0.4585000      0.9407000
  1 1 1      20   29    9 o    4.257000      0.4121000       3.838000 0.6363000       4.676000      0.5239000     -0.8377000      0.8243000
  1 1 1      20   29   10 o    3.762000      0.5071000       3.786000 0.6967000       3.737000      0.7370000      0.4898000E-01   1.014000
  1 1 1      20   29   11 o    2.036000      0.5844000       1.821000 0.7732000       2.250000      0.8764000     -0.4289000       1.169000
  1 1 1      20   29   12 o    2.090000      0.5746000       2.361000 0.8202000       1.819000      0.8049000      0.5412000       1.149000
  1 1 1      20   29   13 o    1.812000      0.5557000       1.371000 0.6440000       2.253000      0.9059000     -0.8827000       1.111000
  1 1 1      20   29   14 o    4.538000      0.5377000       5.202000 0.5324000       3.874000      0.9344000       1.328000       1.075000
  1 1 1      20   29   15 o    3.636000      0.6002000       4.458000 0.6541000       2.814000       1.007000       1.644000       1.200000
  1 1 1      20   29   16 o    3.793000      0.6425000       3.686000 0.8234000       3.901000      0.9865000     -0.2148000       1.285000
  1 1 1      20   29   17 o    3.367000      0.6330000       4.375000 0.7864000       2.358000      0.9921000       2.017000       1.266000
  1 1 1      20   29   18 o    4.377000      0.6379000       5.477000 0.6799000       3.278000       1.080000       2.200000       1.276000
  1 1 1      20   29   19 o    2.655000      0.7045000       2.838000 0.9816000       2.472000       1.011000      0.3667000       1.409000
  1 1 1      20   29   20 o    2.623000      0.7070000       3.015000 1.022000       2.230000      0.9774000      0.7852000       1.414000
  1 1 1      20   29   21 o    2.794000      0.7391000       2.841000 1.001000       2.747000       1.088000      0.9345000E-01   1.478000
  1 1 1      20   29   22 o    2.357000      0.6733000       2.825000 1.009000       1.890000      0.8924000      0.9354000       1.347000
  1 1 1      20   30    0 o    2.058000      0.6062000       2.120000 0.9350000       1.997000      0.7718000      0.1234000       1.212000
  1 1 1      20   30    1 o    4.581000      0.3554000       4.086000 0.4947000       5.076000      0.5104000     -0.9898000      0.7108000
  1 1 1      20   30    2 o    2.685000      0.5651000       2.130000 0.8275000       3.241000      0.7699000      -1.110000       1.130000
  1 1 1      20   30    3 o    3.741000      0.7048000       3.741000 0.7048000                  ?              ?              ?              ?
  1 1 1      20   30    4 o    2.064000      0.5418000       1.643000 0.7167000       2.485000      0.8126000     -0.8420000       1.084000
  1 1 1      20   30    5 f    2.306000      0.8107000                  ?       ?   2.306000      0.8107000                  ?              ?
  1 1 1      20   30    6 o    7.274000      0.2797000       7.264000 0.3669000       7.283000      0.4222000     -0.1881000E-01  0.5594000
  1 1 1      20   30    7 o    4.075000      0.7051000       4.871000 0.7760000       3.278000       1.177000       1.593000       1.410000
  1 1 1      20   30    8 o    3.528000      0.7590000       3.347000 0.9693000       3.709000       1.168000     -0.3629000       1.518000
  1 1 1      20   30    9 o    4.045000      0.7293000       4.208000 0.8725000       3.882000       1.169000      0.3265000       1.459000
  1 1 1      20   30   10 o    2.019000      0.6416000       2.041000 0.8801000       1.997000      0.9339000      0.4423000E-01   1.283000
  1 1 1      20   30   11 o    3.478000      0.7228000       3.359000 0.8999000       3.597000       1.131000     -0.2378000       1.446000
  1 1 1      20   30   12 o    2.811000      0.7099000       2.075000 0.8480000       3.547000       1.139000      -1.472000       1.420000
  1 1 1      20   30   13 o    4.465000      0.6462000       5.173000 0.6042000       3.758000       1.143000       1.415000       1.292000
  1 1 1      20   30   14 o    3.939000      0.6954000       4.065000 0.6996000       3.813000       1.202000      0.2516000       1.391000
  1 1 1      20   30   15 o    2.367000      0.6289000       2.900000 0.8907000       1.834000      0.8880000       1.067000       1.258000
  1 1 1      20   30   16 o    3.847000      0.6755000       4.098000 0.8162000       3.597000       1.077000      0.5015000       1.351000
  1 1 1      20   30   17 o    3.291000      0.7400000       3.603000 0.9903000       2.978000       1.100000      0.6250000       1.480000
  1 1 1      20   30   18 o    3.958000      0.7020000       3.449000 1.006000       4.468000      0.9796000      -1.019000       1.404000
  1 1 1      20   30   19 o    2.442000      0.6602000       3.141000 1.019000       1.742000      0.8394000       1.398000       1.320000
  1 1 1      20   30   20 o    2.157000      0.6558000       2.385000 0.9531000       1.929000      0.9009000      0.4565000       1.312000
  1 1 1      20   30   21 o    3.498000      0.7272000       3.019000 1.031000       3.978000       1.026000     -0.9592000       1.454000
  1 1 1      20   31    0 o    2.088000      0.5881000       2.234000 0.8642000       1.943000      0.7979000      0.2912000       1.176000
  1 1 1      20   31    1 f    1.700000      0.5323000       1.874000 0.8045000       1.527000      0.6974000      0.3471000       1.065000
  1 1 1      20   31    2 o    3.201000      0.5461000       3.208000 0.7799000       3.193000      0.7646000      0.1436000E-01   1.092000
  1 1 1      20   31    3 o    4.180000      0.5472000       4.048000 0.9015000       4.312000      0.6206000     -0.2641000       1.094000
  1 1 1      20   31    4 o    2.153000      0.5953000       1.669000 0.7933000       2.638000      0.8879000     -0.9689000       1.191000
  1 1 1      20   31    5 o    3.278000      0.5937000       2.619000 0.9283000       3.937000      0.7403000      -1.318000       1.187000
  1 1 1      20   31    6 o    4.737000      0.5412000       4.942000 0.7832000       4.532000      0.7472000      0.4108000       1.082000
  1 1 1      20   31    7 o    2.209000      0.5682000       1.968000 0.7778000       2.449000      0.8286000     -0.4805000       1.136000
  1 1 1      20   31    8 o    2.323000      0.6106000       1.918000 0.8107000       2.728000      0.9134000     -0.8106000       1.221000
  1 1 1      20   31    9 o    4.286000      0.5227000       4.705000 0.6361000       3.867000      0.8295000      0.8376000       1.045000
  1 1 1      20   31   10 o    2.525000      0.6213000       2.881000 0.8652000       2.168000      0.8919000      0.7133000       1.243000
  1 1 1      20   31   11 o    1.878000      0.5831000       1.900000 0.8169000       1.856000      0.8322000      0.4379000E-01   1.166000
  1 1 1      20   31   12 o    4.064000      0.5931000       4.897000 0.6688000       3.231000      0.9796000       1.666000       1.186000
  1 1 1      20   31   13 o    2.777000      0.6857000       2.947000 0.9081000       2.607000       1.028000      0.3406000       1.371000
  1 1 1      20   31   14 o    2.428000      0.6767000       1.944000 0.8449000       2.912000       1.057000     -0.9678000       1.353000
  1 1 1      20   31   15 o    2.590000      0.7041000       2.495000 0.9527000       2.685000       1.037000     -0.1897000       1.408000
  1 1 1      20   31   16 o    2.683000      0.7189000       2.976000 0.9929000       2.391000       1.040000      0.5847000       1.438000
  1 1 1      20   31   17 o    2.432000      0.6594000       3.287000 1.065000       1.578000      0.7773000       1.709000       1.319000
  1 1 1      20   31   18 o    1.835000      0.6108000       1.627000 0.7838000       2.043000      0.9369000     -0.4158000       1.222000
  1 1 1      20   31   19 o    1.739000      0.5823000       1.901000 0.8666000       1.577000      0.7780000      0.3247000       1.165000
  1 1 1      20   31   20 o    3.463000      0.6474000       1.823000 0.8464000       5.104000      0.9799000      -3.282000       1.295000
  1 1 1      20   32    0 o    4.154000      0.5060000       4.769000 0.6690000       3.538000      0.7592000       1.231000       1.012000
  1 1 1      20   32    1 o    1.728000      0.5243000       1.399000 0.6769000       2.058000      0.8008000     -0.6591000       1.049000
  1 1 1      20   32    2 o    4.015000      0.5089000       4.087000 0.6997000       3.943000      0.7393000      0.1442000       1.018000
  1 1 1      20   32    3 o    6.011000      0.3694000       6.276000 0.5018000       5.746000      0.5422000      0.5302000      0.7388000
  1 1 1      20   32    4 o    2.299000      0.5976000       2.770000 0.9044000       1.828000      0.7815000      0.9419000       1.195000
  1 1 1      20   32    5 o    2.644000      0.5949000       2.137000 0.8545000       3.150000      0.8279000      -1.012000       1.190000
  1 1 1      20   32    6 o    2.379000      0.6281000       2.328000 0.8603000       2.430000      0.9154000     -0.1018000       1.256000
  1 1 1      20   32    7 o    1.754000      0.5540000       1.787000 0.7842000       1.721000      0.7828000      0.6628000E-01   1.108000
  1 1 1      20   32    8 o    4.133000      0.5796000       4.079000 0.7622000       4.186000      0.8733000     -0.1077000       1.159000
  1 1 1      20   32    9 o    3.355000      0.7508000       2.924000 0.9411000       3.787000       1.170000     -0.8630000       1.502000
  1 1 1      20   32   10 o    3.303000      0.8193000       2.987000 1.153000       3.620000       1.165000     -0.6331000       1.639000
  1 1 1      20   32   11 o    2.713000      0.7974000       3.003000 1.216000       2.424000       1.032000      0.5783000       1.595000
  1 1 1      20   32   12 o    2.688000      0.8255000       2.921000 1.224000       2.455000       1.108000      0.4660000       1.651000
  1 1 1      20   32   13 o    3.389000      0.9049000       4.102000 1.399000       2.676000       1.149000       1.426000       1.810000
  1 1 1      20   32   14 o    3.211000      0.8970000       3.967000 1.397000       2.456000       1.126000       1.511000       1.794000
  1 1 1      20   32   15 o    3.593000      0.9959000       3.761000 1.442000       3.424000       1.374000      0.3365000       1.992000
  1 1 1      20   32   16 o    2.744000      0.8974000       2.382000 1.145000       3.107000       1.382000     -0.7254000       1.795000
  1 1 1      20   32   17 o    4.038000       1.069000       4.174000 1.530000       3.903000       1.494000      0.2712000       2.138000
  1 1 1      20   32   18 o    3.896000      0.9547000       2.393000 1.147000       5.400000       1.527000      -3.007000       1.909000
  1 1 1      20   33    0 o    4.014000      0.5742000       3.526000 0.8671000       4.501000      0.7531000     -0.9752000       1.148000
  1 1 1      20   33    1 o    1.580000      0.5239000       1.527000 0.7229000       1.632000      0.7585000     -0.1044000       1.048000
  1 1 1      20   33    2 o    3.402000      0.6360000       2.912000 0.9316000       3.892000      0.8662000     -0.9797000       1.272000
  1 1 1      20   33    3 o    3.426000      0.6397000       3.549000 0.8961000       3.303000      0.9131000      0.2463000       1.279000
  1 1 1      20   33    4 o    2.246000      0.6272000       2.550000 0.9380000       1.942000      0.8327000      0.6078000       1.254000
  1 1 1      20   33    5 o    2.183000      0.6137000       1.899000 0.8365000       2.466000      0.8983000     -0.5677000       1.227000
  1 1 1      20   33    6 o    1.823000      0.5793000       1.810000 0.8161000       1.836000      0.8223000     -0.2599000E-01   1.159000
  1 1 1      20   33    7 o    2.929000      0.6830000       2.827000 0.9550000       3.032000      0.9766000     -0.2046000       1.366000
  1 1 1      20   33    8 o    2.199000      0.6433000       2.285000 0.9101000       2.113000      0.9094000      0.1720000       1.287000
  1 1 1      20   33    9 o    2.321000      0.6774000       2.171000 0.9153000       2.470000      0.9989000     -0.2984000       1.355000
  1 1 1      20   33   10 o    4.090000      0.6467000       3.651000 0.9829000       4.529000      0.8407000     -0.8777000       1.293000
  1 1 1      20   33   11 o    3.328000      0.7457000       3.591000 1.017000       3.064000       1.091000      0.5271000       1.491000
  1 1 1      20   33   12 o    2.585000      0.7179000       2.677000 1.019000       2.492000       1.011000      0.1853000       1.436000
  1 1 1      20   33   13 o    2.193000      0.6542000       2.517000 0.9640000       1.868000      0.8846000      0.6494000       1.308000
  1 1 1      20   33   14 o    1.920000      0.6215000       1.611000 0.7693000       2.229000      0.9764000     -0.6179000       1.243000
  1 1 1      20   33   15 o    3.476000      0.7580000       4.248000 1.008000       2.704000       1.133000       1.543000       1.516000
  1 1 1      20   33   16 o    3.020000      0.7865000       3.234000 1.082000       2.806000       1.142000      0.4284000       1.573000
  1 1 1      20   34    0 o    3.023000      0.7034000       3.181000 1.020000       2.865000      0.9690000      0.3155000       1.407000
  1 1 1      20   34    1 o    2.043000      0.6195000       2.286000 0.9313000       1.800000      0.8173000      0.4865000       1.239000
  1 1 1      20   34    2 o    2.909000      0.6129000       3.895000 0.8879000       1.924000      0.8451000       1.971000       1.226000
  1 1 1      20   34    3 o    4.088000      0.6010000       3.474000 0.9244000       4.702000      0.7681000      -1.229000       1.202000
  1 1 1      20   34    4 o    3.124000      0.9662000       3.124000 0.9662000                  ?              ?              ?              ?
  1 1 1      20   34    5 o    2.645000      0.6756000       3.174000 1.017000       2.116000      0.8893000       1.058000       1.351000
  1 1 1      20   34    6 o    3.227000       1.000000                  ?       ?   3.227000       1.000000                  ?              ?
  1 1 1      20   34    7 f    2.818000      0.7101000       2.552000 1.001000       3.083000       1.008000     -0.5305000       1.420000
  1 1 1      20   34    8 o    2.377000      0.6407000       3.045000 0.9985000       1.709000      0.8031000       1.336000       1.281000
  1 1 1      20   34    9 f    2.408000      0.6831000       2.553000 0.9771000       2.262000      0.9550000      0.2915000       1.366000
  1 1 1      20   34   10 o    2.273000      0.6834000       2.191000 0.9488000       2.356000      0.9838000     -0.1653000       1.367000
  1 1 1      20   34   11 f    2.986000      0.7244000       3.498000 1.059000       2.474000      0.9890000       1.024000       1.449000
  1 1 1      20   34   12 o    2.313000      0.6860000       2.466000 0.9835000       2.160000      0.9565000      0.3051000       1.372000
  1 1 1      20   34   13 f    2.893000      0.7733000       2.688000 1.037000       3.098000       1.147000     -0.4101000       1.547000
  1 1 1      20   34   14 o    2.610000      0.7557000       2.282000 0.9931000       2.939000       1.139000     -0.6568000       1.511000
  1 1 1      20   35    0 f    2.633000      0.7051000       2.818000 1.031000       2.449000      0.9620000      0.3691000       1.410000
  1 1 1      20   35    1 o    2.280000      0.6452000       2.948000 1.037000       1.611000      0.7682000       1.337000       1.290000
  1 1 1      20   35    2 o    2.528000      0.6347000       1.757000 0.8273000       3.298000      0.9627000      -1.541000       1.269000
  1 1 1      20   35    3 o    2.289000      0.6622000       1.996000 0.8988000       2.583000      0.9728000     -0.5873000       1.324000
  1 1 1      20   35    4 f    2.951000       1.035000       2.951000 1.035000                  ?              ?              ?              ?
  1 1 1      20   35    5 o    2.504000      0.6840000       2.179000 0.9471000       2.828000      0.9872000     -0.6489000       1.368000
  1 1 1      20   35    6 f    3.644000      0.9757000                  ?       ?   3.644000      0.9757000                  ?              ?
  1 1 1      20   35    7 o    2.790000      0.6692000       3.564000 0.9871000       2.015000      0.9039000       1.549000       1.338000
  1 1 1      20   35    8 o    3.079000      0.7300000       2.910000 1.017000       3.247000       1.048000     -0.3379000       1.460000
  1 1 1      20   35    9 o    3.109000      0.6541000       1.904000 0.8712000       4.313000      0.9758000      -2.409000       1.308000
  1 1 1      20   35   10 o    2.998000      0.7471000       3.639000 1.095000       2.357000       1.017000       1.282000       1.494000
  1 1 1      20   35   11 o    2.270000      0.6906000       2.767000 1.089000       1.774000      0.8497000      0.9938000       1.381000
  1 1 1      20   35   12 o    2.336000      0.6921000       1.495000 0.7380000       3.178000       1.171000      -1.683000       1.384000
  1 1 1      20   36    0 o    2.251000      0.6636000       2.143000 0.9408000       2.360000      0.9362000     -0.2170000       1.327000
  1 1 1      20   36    1 o    2.540000      0.6979000       2.272000 0.9681000       2.809000       1.005000     -0.5372000       1.396000
  1 1 1      20   36    2 o    2.552000      0.6984000       2.276000 0.9846000       2.828000      0.9908000     -0.5526000       1.397000
  1 1 1      20   36    3 o    4.113000      0.6638000       3.754000 1.027000       4.472000      0.8415000     -0.7185000       1.328000
  1 1 1      20   36    4 o    2.602000      0.6813000       3.098000 1.055000       2.106000      0.8620000      0.9921000       1.363000
  1 1 1      20   36    5 o    1.896000      0.6165000       1.596000 0.7802000       2.196000      0.9549000     -0.5999000       1.233000
  1 1 1      20   36    6 o    3.455000       1.005000                  ?       ?   3.455000       1.005000                  ?              ?
  1 1 1      20   36    7 o    2.404000      0.6917000       2.957000 1.092000       1.851000      0.8490000       1.107000       1.383000
  1 1 1      20   36    8 o    2.289000      0.6849000       2.250000 0.9699000       2.328000      0.9672000     -0.7846000E-01   1.370000
  1 1 1      20   36    9 o    4.031000       1.421000                  ?       ?   4.031000       1.421000                  ?              ?
  1 1 1      20   37    0 o    2.966000      0.8720000       3.041000 1.212000       2.892000       1.254000      0.1494000       1.744000
  1 1 1      20   37    1 o    4.784000       1.498000                  ?       ?   4.784000       1.498000                  ?              ?
  1 1 1      20   37    2 o    5.572000       1.419000                  ?       ?   5.572000       1.419000                  ?              ?
  1 1 1      20   37    3 o    3.073000       1.318000                  ?       ?   3.073000       1.318000                  ?              ?
  1 1 1      21  -18    0 o    2.786000      0.6910000       2.716000 0.9786000       2.857000      0.9760000     -0.1401000       1.382000
  1 1 1      21  -18    1 o    2.789000      0.6932000       2.615000 0.9637000       2.963000      0.9968000     -0.3475000       1.386000
  1 1 1      21  -18    2 o    6.222000      0.4270000       6.649000 0.5453000       5.795000      0.6573000      0.8546000      0.8540000
  1 1 1      21  -18    3 o    4.579000      0.5465000       5.226000 0.6702000       3.931000      0.8635000       1.295000       1.093000
  1 1 1      21  -18    4 o    4.384000      0.5875000       5.461000 0.6275000       3.307000      0.9934000       2.154000       1.175000
  1 1 1      21  -18    5 o    3.717000      0.6561000       3.834000 0.8921000       3.601000      0.9624000      0.2329000       1.312000
  1 1 1      21  -18    6 o    2.723000       1.087000                  ?       ?   2.723000       1.087000                  ?              ?
  1 1 1      21  -17    0 o    4.686000      0.4824000       4.898000 0.6297000       4.474000      0.7310000      0.4234000      0.9649000
  1 1 1      21  -17    1 o    6.492000      0.3887000       6.764000 0.5132000       6.219000      0.5839000      0.5451000      0.7774000
  1 1 1      21  -17    2 o    3.002000      0.6266000       3.842000 0.8733000       2.161000      0.8987000       1.681000       1.253000
  1 1 1      21  -17    3 o    6.072000      0.4238000       5.581000 0.6029000       6.564000      0.5957000     -0.9830000      0.8475000
  1 1 1      21  -17    4 o    3.501000      0.7415000       4.450000 0.9636000       2.552000       1.127000       1.898000       1.483000
  1 1 1      21  -17    5 o    3.662000      0.8114000       3.518000 1.098000       3.806000       1.195000     -0.2882000       1.623000
  1 1 1      21  -17    6 o    4.280000      0.5713000       4.962000 0.6631000       3.599000      0.9305000       1.364000       1.143000
  1 1 1      21  -17    7 o    2.028000      0.6220000       1.798000 0.8133000       2.258000      0.9415000     -0.4601000       1.244000
  1 1 1      21  -17    8 o    4.674000      0.7692000       4.160000 1.156000       5.188000       1.015000      -1.027000       1.538000
  1 1 1      21  -17    9 o    1.898000      0.6406000       2.111000 0.9775000       1.684000      0.8282000      0.4270000       1.281000
  1 1 1      21  -17   10 o    4.106000      0.8294000       4.308000 1.201000       3.904000       1.144000      0.4037000       1.659000
  1 1 1      21  -16    0 f    4.142000      0.5426000       3.841000 0.7918000       4.443000      0.7421000     -0.6026000       1.085000
  1 1 1      21  -16    1 o    3.513000      0.7552000       4.306000 0.9837000       2.720000       1.146000       1.586000       1.510000
  1 1 1      21  -16    2 o    2.530000      0.7595000       2.410000 1.004000       2.651000       1.140000     -0.2419000       1.519000
  1 1 1      21  -16    3 o    3.529000      0.5750000       2.520000 0.8894000       4.537000      0.7290000      -2.017000       1.150000
  1 1 1      21  -16    4 o    3.961000      0.5716000       4.172000 0.7642000       3.750000      0.8503000      0.4216000       1.143000
  1 1 1      21  -16    5 o    2.897000      0.6604000       2.091000 0.8566000       3.703000       1.005000      -1.612000       1.321000
  1 1 1      21  -16    6 o    5.203000      0.6479000       4.808000 1.015000       5.597000      0.8055000     -0.7885000       1.296000
  1 1 1      21  -16    7 f    3.363000      0.6798000       3.026000 1.125000       3.699000      0.7632000     -0.6728000       1.360000
  1 1 1      21  -16    8 o    2.731000      0.6585000       2.883000 0.9011000       2.579000      0.9604000      0.3043000       1.317000
  1 1 1      21  -16    9 o    2.679000      0.6794000       2.549000 0.9354000       2.809000      0.9855000     -0.2603000       1.359000
  1 1 1      21  -16   10 o    2.220000      0.6201000       1.652000 0.7664000       2.789000      0.9752000      -1.137000       1.240000
  1 1 1      21  -16   11 o    2.365000      0.6625000       2.474000 0.9322000       2.256000      0.9416000      0.2187000       1.325000
  1 1 1      21  -16   12 o    2.907000      0.6883000       3.181000 0.9685000       2.632000      0.9783000      0.5489000       1.377000
  1 1 1      21  -16   13 o    2.968000       1.154000                  ?       ?   2.968000       1.154000                  ?              ?
  1 1 1      21  -15    0 f    4.322000      0.7200000       5.577000 0.7605000       3.068000       1.223000       2.509000       1.440000
  1 1 1      21  -15    1 o    2.470000      0.6017000       2.834000 0.8892000       2.107000      0.8107000      0.7265000       1.203000
  1 1 1      21  -15    2 o    2.031000      0.5824000       2.091000 0.8420000       1.970000      0.8048000      0.1216000       1.165000
  1 1 1      21  -15    3 f    3.664000      0.6096000       4.786000 0.8115000       2.541000      0.9098000       2.244000       1.219000
  1 1 1      21  -15    4 o    2.261000      0.6450000       2.920000 1.047000       1.602000      0.7533000       1.317000       1.290000
  1 1 1      21  -15    5 o    3.301000      0.5981000       2.948000 0.8593000       3.654000      0.8322000     -0.7062000       1.196000
  1 1 1      21  -15    6 o    3.727000      0.5751000       3.452000 0.8451000       4.002000      0.7804000     -0.5499000       1.150000
  1 1 1      21  -15    7 o    2.074000      0.5816000       2.549000 0.8924000       1.599000      0.7461000      0.9502000       1.163000
  1 1 1      21  -15    8 o    5.000000      0.4566000       4.462000 0.6723000       5.538000      0.6179000      -1.076000      0.9131000
  1 1 1      21  -15    9 o    4.026000      0.5762000       4.649000 0.6396000       3.403000      0.9588000       1.246000       1.152000
  1 1 1      21  -15   10 o    4.959000      0.4819000       4.902000 0.6443000       5.016000      0.7169000     -0.1143000      0.9639000
  1 1 1      21  -15   11 o    4.455000      0.5577000       5.864000 0.5424000       3.046000      0.9747000       2.818000       1.115000
  1 1 1      21  -15   12 o    3.400000      0.6281000       4.214000 0.7793000       2.587000      0.9853000       1.627000       1.256000
  1 1 1      21  -15   13 o    3.859000      0.6335000       4.290000 0.7987000       3.428000      0.9836000      0.8621000       1.267000
  1 1 1      21  -15   14 o    3.219000      0.6823000       3.125000 0.9379000       3.314000      0.9912000     -0.1893000       1.365000
  1 1 1      21  -15   15 o    2.975000      0.6759000       3.681000 0.9076000       2.269000       1.002000       1.412000       1.352000
  1 1 1      21  -14    0 o    9.272000      0.2857000       9.014000 0.4011000       9.530000      0.4071000     -0.5156000      0.5715000
  1 1 1      21  -14    1 o    2.548000      0.6603000       2.317000 0.9514000       2.779000      0.9160000     -0.4613000       1.321000
  1 1 1      21  -14    2 o    4.704000      0.5270000       5.517000 0.6892000       3.891000      0.7975000       1.626000       1.054000
  1 1 1      21  -14    3 f    5.650000      0.3644000       5.909000 0.4960000       5.391000      0.5340000      0.5172000      0.7288000
  1 1 1      21  -14    4 o    1.768000      0.5409000       1.614000 0.7361000       1.922000      0.7926000     -0.3082000       1.082000
  1 1 1      21  -14    5 o    3.646000      0.5497000       3.623000 0.7853000       3.669000      0.7695000     -0.4642000E-01   1.099000
  1 1 1      21  -14    6 o    5.066000      0.3935000       4.853000 0.5864000       5.278000      0.5249000     -0.4249000      0.7870000
  1 1 1      21  -14    7 o    7.018000      0.3141000       7.492000 0.4230000       6.543000      0.4645000      0.9494000      0.6283000
  1 1 1      21  -14    8 o    3.285000      0.5669000       3.640000 0.7348000       2.930000      0.8636000      0.7097000       1.134000
  1 1 1      21  -14    9 o    2.119000      0.6001000       1.855000 0.7893000       2.383000      0.9043000     -0.5283000       1.200000
  1 1 1      21  -14   10 o    5.013000      0.4581000       4.784000 0.6359000       5.243000      0.6596000     -0.4587000      0.9162000
  1 1 1      21  -14   11 o    3.639000      0.5868000       3.640000 0.7831000       3.638000      0.8740000      0.1776000E-02   1.174000
  1 1 1      21  -14   12 o    2.868000      0.6062000       3.573000 0.7986000       2.163000      0.9123000       1.410000       1.212000
  1 1 1      21  -14   13 o    5.653000      0.4696000       6.422000 0.5170000       4.884000      0.7841000       1.538000      0.9392000
  1 1 1      21  -14   14 o    5.920000      0.4670000       7.077000 0.5047000       4.763000      0.7858000       2.314000      0.9339000
  1 1 1      21  -14   15 o    5.047000      0.5323000       5.524000 0.6033000       4.569000      0.8772000      0.9551000       1.065000
  1 1 1      21  -14   16 f    2.349000      0.6695000       2.376000 0.9316000       2.322000      0.9618000      0.5399000E-01   1.339000
  1 1 1      21  -14   17 o    1.767000      0.5857000       1.686000 0.7827000       1.848000      0.8715000     -0.1613000       1.171000
  1 1 1      21  -13    0 o    7.334000      0.3785000       7.377000 0.5891000       7.291000      0.4755000      0.8583000E-01  0.7571000
  1 1 1      21  -13    1 o    4.852000      0.3928000       4.789000 0.5677000       4.914000      0.5430000     -0.1251000      0.7856000
  1 1 1      21  -13    2 o    3.608000      0.5187000       3.608000 0.7612000       3.609000      0.7049000     -0.1282000E-02   1.037000
  1 1 1      21  -13    3 o    3.364000      0.5566000       3.351000 0.8039000       3.376000      0.7700000     -0.2523000E-01   1.113000
  1 1 1      21  -13    4 o    7.402000      0.3115000       7.001000 0.4136000       7.803000      0.4658000     -0.8024000      0.6229000
  1 1 1      21  -13    5 o    6.284000      0.3199000       6.756000 0.4280000       5.812000      0.4757000      0.9440000      0.6399000
  1 1 1      21  -13    6 o    2.049000      0.5221000       2.639000 0.7913000       1.459000      0.6814000       1.179000       1.044000
  1 1 1      21  -13    7 o    5.883000      0.3437000       6.190000 0.4561000       5.575000      0.5142000      0.6152000      0.6873000
  1 1 1      21  -13    8 o    4.634000      0.4312000       5.557000 0.4526000       3.711000      0.7340000       1.846000      0.8623000
  1 1 1      21  -13    9 o    4.184000      0.4514000       4.002000 0.6188000       4.365000      0.6573000     -0.3631000      0.9027000
  1 1 1      21  -13   10 o    6.651000      0.3263000       6.756000 0.4226000       6.545000      0.4974000      0.2116000      0.6527000
  1 1 1      21  -13   11 f    2.136000      0.6002000       2.147000 0.8380000       2.125000      0.8596000      0.2135000E-01   1.200000
  1 1 1      21  -13   12 o    2.979000      0.5985000       3.279000 0.7685000       2.679000      0.9177000      0.6001000       1.197000
  1 1 1      21  -13   13 o    3.484000      0.6037000       3.680000 0.7555000       3.288000      0.9418000      0.3916000       1.207000
  1 1 1      21  -13   14 o    2.298000      0.6435000       2.217000 0.8749000       2.379000      0.9438000     -0.1622000       1.287000
  1 1 1      21  -13   15 o    2.008000      0.6121000       1.989000 0.8398000       2.027000      0.8907000     -0.3777000E-01   1.224000
  1 1 1      21  -13   16 o    3.919000      0.5840000       5.436000 0.6327000       2.402000      0.9817000       3.035000       1.168000
  1 1 1      21  -13   17 o    3.398000      0.6844000       3.258000 0.9331000       3.537000       1.002000     -0.2792000       1.369000
  1 1 1      21  -13   18 o    2.406000      0.6561000       2.623000 0.9318000       2.190000      0.9239000      0.4325000       1.312000
  1 1 1      21  -12    0 o    8.617000      0.2779000       9.053000 0.3956000       8.182000      0.3903000      0.8710000      0.5557000
  1 1 1      21  -12    1 o    4.102000      0.4581000       4.593000 0.6141000       3.611000      0.6800000      0.9823000      0.9162000
  1 1 1      21  -12    2 o    2.530000      0.5765000       2.571000 0.8302000       2.488000      0.8001000      0.8298000E-01   1.153000
  1 1 1      21  -12    3 o    2.376000      0.5479000       2.937000 0.8077000       1.815000      0.7406000       1.123000       1.096000
  1 1 1      21  -12    4 o    5.689000      0.3297000       5.824000 0.4721000       5.555000      0.4604000      0.2694000      0.6595000
  1 1 1      21  -12    5 o    3.487000      0.4809000       2.775000 0.7836000       4.198000      0.5576000      -1.423000      0.9618000
  1 1 1      21  -12    6 o    3.329000      0.4914000       3.930000 0.6164000       2.727000      0.7654000       1.203000      0.9828000
  1 1 1      21  -12    7 f    1.968000      0.5405000       1.964000 0.7584000       1.973000      0.7703000     -0.9682000E-02   1.081000
  1 1 1      21  -12    8 o    3.977000      0.4653000       3.260000 0.7439000       4.695000      0.5592000      -1.435000      0.9306000
  1 1 1      21  -12    9 o    2.156000      0.5614000       1.899000 0.7634000       2.412000      0.8234000     -0.5124000       1.123000
  1 1 1      21  -12   10 o    5.770000      0.3115000       5.694000 0.4201000       5.845000      0.4599000     -0.1516000      0.6230000
  1 1 1      21  -12   11 o    3.605000      0.5299000       4.251000 0.5860000       2.958000      0.8831000       1.293000       1.060000
  1 1 1      21  -12   12 o    4.805000      0.4183000       5.052000 0.5247000       4.559000      0.6517000      0.4930000      0.8367000
  1 1 1      21  -12   13 o    2.925000      0.5912000       3.378000 0.7586000       2.471000      0.9069000      0.9070000       1.182000
  1 1 1      21  -12   14 o    2.592000      0.6005000       1.779000 0.7723000       3.405000      0.9196000      -1.627000       1.201000
  1 1 1      21  -12   15 o    1.944000      0.5897000       1.839000 0.7936000       2.050000      0.8724000     -0.2111000       1.179000
  1 1 1      21  -12   16 o    2.466000      0.6862000       1.809000 0.8195000       3.123000       1.101000      -1.314000       1.372000
  1 1 1      21  -12   17 o    4.505000      0.6248000       4.015000 0.8758000       4.995000      0.8913000     -0.9805000       1.250000
  1 1 1      21  -12   18 o    2.994000      0.7295000       2.789000 0.9966000       3.198000       1.066000     -0.4093000       1.459000
  1 1 1      21  -12   19 o    3.392000      0.6399000       4.461000 0.8124000       2.323000      0.9890000       2.138000       1.280000
  1 1 1      21  -12   20 o    1.994000      0.5910000       2.265000 0.8673000       1.724000      0.8029000      0.5416000       1.182000
  1 1 1      21  -11    0 o    5.184000      0.3552000       5.110000 0.5183000       5.257000      0.4858000     -0.1471000      0.7104000
  1 1 1      21  -11    1 o    7.252000      0.2820000       7.678000 0.3861000       6.827000      0.4112000      0.8513000      0.5640000
  1 1 1      21  -11    2 o    2.332000      0.5600000       2.322000 0.8018000       2.342000      0.7821000     -0.1996000E-01   1.120000
  1 1 1      21  -11    3 o    6.012000      0.3013000       6.058000 0.4257000       5.966000      0.4264000      0.9252000E-01  0.6025000
  1 1 1      21  -11    4 o    8.630000      0.2457000       8.714000 0.3526000       8.546000      0.3421000      0.1677000      0.4913000
  1 1 1      21  -11    5 o    3.935000      0.4165000       3.622000 0.6459000       4.248000      0.5260000     -0.6259000      0.8330000
  1 1 1      21  -11    6 o    2.803000      0.5294000       2.864000 0.7743000       2.743000      0.7222000      0.1210000       1.059000
  1 1 1      21  -11    7 o    6.435000      0.2734000       6.073000 0.3941000       6.796000      0.3791000     -0.7225000      0.5468000
  1 1 1      21  -11    8 o    6.151000      0.2778000       6.308000 0.3942000       5.994000      0.3914000      0.3141000      0.5555000
  1 1 1      21  -11    9 o    4.009000      0.4137000       4.182000 0.5396000       3.837000      0.6273000      0.3456000      0.8274000
  1 1 1      21  -11   10 o    3.830000      0.4475000       4.099000 0.5756000       3.560000      0.6854000      0.5393000      0.8950000
  1 1 1      21  -11   11 o    9.277000      0.2483000       9.673000 0.3315000       8.881000      0.3698000      0.7918000      0.4967000
  1 1 1      21  -11   12 o    5.590000      0.3500000       5.225000 0.4712000       5.955000      0.5176000     -0.7300000      0.7000000
  1 1 1      21  -11   13 o    2.870000      0.6678000       3.553000 0.9140000       2.188000      0.9740000       1.365000       1.336000
  1 1 1      21  -11   14 o    2.382000      0.6693000       1.738000 0.7940000       3.026000       1.078000      -1.287000       1.339000
  1 1 1      21  -11   15 o    2.625000      0.6709000       2.640000 0.8302000       2.609000       1.054000      0.3114000E-01   1.342000
  1 1 1      21  -11   16 o    5.630000      0.4699000       6.033000 0.4607000       5.227000      0.8190000      0.8062000      0.9397000
  1 1 1      21  -11   17 o    1.724000      0.5393000       2.060000 0.8319000       1.387000      0.6866000      0.6729000       1.079000
  1 1 1      21  -11   18 o    3.450000      0.9280000       4.153000 1.371000       2.746000       1.251000       1.407000       1.856000
  1 1 1      21  -11   19 o    5.420000      0.9649000       4.897000 1.347000       5.943000       1.382000      -1.046000       1.930000
  1 1 1      21  -11   20 o    3.012000      0.8847000       3.637000 1.364000       2.388000       1.127000       1.249000       1.769000
  1 1 1      21  -11   21 o    2.433000      0.6250000       2.897000 0.9021000       1.969000      0.8652000      0.9281000       1.250000
  1 1 1      21  -10    0 o    8.344000      0.4560000       9.022000 0.3645000       7.666000      0.8360000       1.357000      0.9120000
  1 1 1      21  -10    1 o    12.37000      0.2571000       12.63000 0.3640000       12.11000      0.3632000      0.5235000      0.5142000
  1 1 1      21  -10    2 o    9.731000      0.2464000       9.894000 0.3537000       9.568000      0.3431000      0.3257000      0.4928000
  1 1 1      21  -10    3 o    10.27000      0.2420000       10.39000 0.3364000       10.14000      0.3479000      0.2541000      0.4839000
  1 1 1      21  -10    4 o    2.107000      0.5293000       2.389000 0.7714000       1.825000      0.7248000      0.5642000       1.059000
  1 1 1      21  -10    5 o    5.983000      0.2874000       5.658000 0.4348000       6.308000      0.3759000     -0.6504000      0.5748000
  1 1 1      21  -10    6 o    7.335000      0.2525000       7.404000 0.3534000       7.266000      0.3608000      0.1384000      0.5050000
  1 1 1      21  -10    7 o    3.904000      0.4035000       4.397000 0.5101000       3.411000      0.6254000      0.9864000      0.8070000
  1 1 1      21  -10    8 o    5.464000      0.2930000       5.713000 0.4142000       5.216000      0.4146000      0.4972000      0.5861000
  1 1 1      21  -10    9 o    2.922000      0.4760000       3.408000 0.6161000       2.436000      0.7259000      0.9723000      0.9521000
  1 1 1      21  -10   10 o    6.325000      0.2861000       5.975000 0.4170000       6.674000      0.3919000     -0.6985000      0.5722000
  1 1 1      21  -10   11 o    6.346000      0.4781000       6.023000 0.5825000       6.668000      0.7582000     -0.6449000      0.9561000
  1 1 1      21  -10   12 o    4.694000      0.6368000       4.805000 0.7258000       4.583000       1.046000      0.2219000       1.274000
  1 1 1      21  -10   13 o    3.989000      0.4523000       3.771000 0.6295000       4.207000      0.6497000     -0.4355000      0.9047000
  1 1 1      21  -10   14 o    6.736000      0.2966000       6.632000 0.3927000       6.841000      0.4447000     -0.2095000      0.5933000
  1 1 1      21  -10   15 f    3.543000      0.6824000       4.521000 0.9000000       2.565000       1.026000       1.957000       1.365000
  1 1 1      21  -10   17 o    2.236000      0.6764000       2.412000 1.038000       2.061000      0.8677000      0.3512000       1.353000
  1 1 1      21  -10   18 o    4.336000      0.5343000       4.188000 0.7131000       4.484000      0.7959000     -0.2955000       1.069000
  1 1 1      21  -10   19 o    2.376000      0.6269000       2.541000 0.8604000       2.211000      0.9121000      0.3303000       1.254000
  1 1 1      21  -10   20 f    1.926000      0.5844000       1.441000 0.6882000       2.410000      0.9447000     -0.9688000       1.169000
  1 1 1      21  -10   21 o    3.314000      0.6464000       3.430000 0.8504000       3.198000      0.9738000      0.2319000       1.293000
  1 1 1      21  -10   22 o    2.819000      0.8763000       2.819000 0.8763000                  ?              ?              ?              ?
  1 1 1      21   -9    0 o    5.767000      0.3207000       5.237000 0.4962000       6.297000      0.4064000      -1.060000      0.6414000
  1 1 1      21   -9    1 o    6.044000      0.2998000       5.982000 0.4375000       6.106000      0.4101000     -0.1239000      0.5996000
  1 1 1      21   -9    2 o    7.188000      0.2702000       7.000000 0.3935000       7.376000      0.3705000     -0.3765000      0.5405000
  1 1 1      21   -9    3 o    6.329000      0.2863000       6.367000 0.4140000       6.290000      0.3955000      0.7679000E-01  0.5726000
  1 1 1      21   -9    4 o    7.488000      0.2624000       7.400000 0.3679000       7.577000      0.3741000     -0.1779000      0.5247000
  1 1 1      21   -9    5 o    16.53000      0.2735000       16.64000 0.3829000       16.43000      0.3906000      0.2024000      0.5470000
  1 1 1      21   -9    6 o    13.04000      0.2436000       13.22000 0.3414000       12.86000      0.3476000      0.3677000      0.4873000
  1 1 1      21   -9    7 o    2.676000      0.5097000       2.841000 0.7080000       2.511000      0.7334000      0.3301000       1.019000
  1 1 1      21   -9    8 o    4.356000      0.4610000       4.370000 0.7738000       4.341000      0.5011000      0.2931000E-01  0.9219000
  1 1 1      21   -9    9 o    2.951000      0.6761000       2.132000 0.8393000       3.770000       1.060000      -1.638000       1.352000
  1 1 1      21   -9   10 o    4.682000      0.2736000       4.890000 0.4083000       4.475000      0.3642000      0.4149000      0.5472000
  1 1 1      21   -9   11 o    4.321000      0.3403000       4.039000 0.4972000       4.602000      0.4647000     -0.5630000      0.6806000
  1 1 1      21   -9   12 o    3.960000      0.3884000       4.368000 0.4813000       3.552000      0.6098000      0.8156000      0.7768000
  1 1 1      21   -9   13 o    2.761000      0.6192000       2.689000 0.9112000       2.833000      0.8386000     -0.1446000       1.238000
  1 1 1      21   -9   14 o    5.143000      0.4844000       4.949000 0.6935000       5.338000      0.6766000     -0.3890000      0.9689000
  1 1 1      21   -9   15 o    3.284000      0.5112000       3.146000 0.6890000       3.421000      0.7553000     -0.2746000       1.022000
  1 1 1      21   -9   16 o    3.464000      0.5550000       4.268000 0.5820000       2.660000      0.9452000       1.608000       1.110000
  1 1 1      21   -9   17 o    4.336000      0.4673000       4.146000 0.6050000       4.527000      0.7124000     -0.3805000      0.9346000
  1 1 1      21   -9   18 o    5.353000      0.4046000       5.334000 0.5015000       5.372000      0.6351000     -0.3860000E-01  0.8092000
  1 1 1      21   -9   19 f    2.078000      0.6009000       1.881000 0.7791000       2.275000      0.9150000     -0.3934000       1.202000
  1 1 1      21   -9   20 o    2.965000      0.5737000       4.043000 0.7660000       1.887000      0.8544000       2.156000       1.147000
  1 1 1      21   -9   21 o    3.048000      0.6409000       3.036000 0.8645000       3.060000      0.9465000     -0.2389000E-01   1.282000
  1 1 1      21   -9   22 o    2.488000      0.9009000       2.488000 0.9009000                  ?              ?              ?              ?
  1 1 1      21   -9   23 o    2.402000      0.5959000       2.398000 0.8280000       2.406000      0.8572000     -0.7871000E-02   1.192000
  1 1 1      21   -8    0 o    8.148000      0.2620000       8.183000 0.3714000       8.114000      0.3698000      0.6868000E-01  0.5241000
  1 1 1      21   -8    1 o    4.509000      0.3653000       4.351000 0.5507000       4.666000      0.4801000     -0.3153000      0.7306000
  1 1 1      21   -8    2 o    1.222000      0.4133000       1.361000 0.6327000       1.084000      0.5321000      0.2770000      0.8267000
  1 1 1      21   -8    3 o    2.089000      0.5325000       2.010000 0.7635000       2.169000      0.7424000     -0.1591000       1.065000
  1 1 1      21   -8    4 o    11.61000      0.2489000       11.71000 0.3430000       11.51000      0.3607000      0.1970000      0.4978000
  1 1 1      21   -8    5 o    12.04000      0.2389000       12.07000 0.3368000       12.00000      0.3389000      0.7075000E-01  0.4778000
  1 1 1      21   -8    6 o    9.104000      0.2314000       9.146000 0.3316000       9.062000      0.3227000      0.8443000E-01  0.4627000
  1 1 1      21   -8    7 o    5.641000      0.5783000       6.221000 0.5705000       5.062000       1.006000       1.160000       1.157000
  1 1 1      21   -8    8 o    2.926000      0.4485000       2.547000 0.7310000       3.306000      0.5198000     -0.7587000      0.8970000
  1 1 1      21   -8    9 o    6.827000      0.2473000       7.017000 0.3454000       6.638000      0.3541000      0.3790000      0.4947000
  1 1 1      21   -8   10 o    8.752000      0.2397000       8.687000 0.3138000       8.818000      0.3624000     -0.1315000      0.4793000
  1 1 1      21   -8   11 o    6.739000      0.2923000       6.578000 0.4512000       6.899000      0.3717000     -0.3202000      0.5846000
  1 1 1      21   -8   12 o    10.09000      0.2655000       10.41000 0.4207000       9.765000      0.3240000      0.6479000      0.5310000
  1 1 1      21   -8   13 o    4.380000      0.3265000       4.508000 0.4369000       4.252000      0.4853000      0.2568000      0.6530000
  1 1 1      21   -8   14 o    2.047000      0.5331000       1.778000 0.7137000       2.317000      0.7922000     -0.5388000       1.066000
  1 1 1      21   -8   15 o    3.301000      0.4965000       3.176000 0.6496000       3.426000      0.7509000     -0.2505000      0.9929000
  1 1 1      21   -8   16 o    4.538000      0.3768000       4.541000 0.4553000       4.536000      0.6005000      0.5178000E-02  0.7536000
  1 1 1      21   -8   17 o    4.102000      0.4846000       4.243000 0.5743000       3.961000      0.7808000      0.2823000      0.9693000
  1 1 1      21   -8   18 o    2.553000      0.6046000       2.681000 0.8010000       2.425000      0.9059000      0.2564000       1.209000
  1 1 1      21   -8   19 o    2.638000      0.6082000       2.922000 0.8063000       2.353000      0.9107000      0.5689000       1.216000
  1 1 1      21   -8   20 o    2.571000      0.6288000       2.209000 0.8228000       2.933000      0.9511000     -0.7236000       1.258000
  1 1 1      21   -8   21 o    3.944000      0.5281000       4.293000 0.6392000       3.594000      0.8408000      0.6997000       1.056000
  1 1 1      21   -8   22 o    1.927000      0.5883000       1.501000 0.7026000       2.353000      0.9438000     -0.8515000       1.177000
  1 1 1      21   -8   23 o    1.602000      0.4903000       1.931000 0.7622000       1.274000      0.6171000      0.6572000      0.9807000
  1 1 1      21   -8   24 o    1.467000      0.4575000       1.388000 0.6155000       1.546000      0.6770000     -0.1578000      0.9150000
  1 1 1      21   -7    0 o    3.537000      0.4538000       4.147000 0.5486000       2.927000      0.7229000       1.220000      0.9075000
  1 1 1      21   -7    1 o    4.484000      0.3707000       4.599000 0.5354000       4.369000      0.5130000      0.2301000      0.7415000
  1 1 1      21   -7    2 o    6.842000      0.2745000       6.928000 0.3977000       6.757000      0.3785000      0.1712000      0.5490000
  1 1 1      21   -7    3 o    5.000000      0.3301000       5.306000 0.4528000       4.694000      0.4805000      0.6126000      0.6602000
  1 1 1      21   -7    4 o    7.202000      0.2499000       7.100000 0.3553000       7.303000      0.3515000     -0.2032000      0.4998000
  1 1 1      21   -7    5 f    8.328000      0.4032000       8.119000 0.5159000       8.538000      0.6197000     -0.4192000      0.8064000
  1 1 1      21   -7    6 o    4.412000      0.4973000       3.901000 0.4793000       4.924000      0.8715000      -1.023000      0.9946000
  1 1 1      21   -7    7 o    7.091000      0.2444000       7.490000 0.3395000       6.693000      0.3518000      0.7972000      0.4889000
  1 1 1      21   -7    8 o    2.002000      0.4953000       2.268000 0.7277000       1.736000      0.6722000      0.5321000      0.9907000
  1 1 1      21   -7    9 o    3.259000      0.4845000       3.983000 0.6445000       2.534000      0.7235000       1.449000      0.9689000
  1 1 1      21   -7   10 o    2.937000      0.4763000       2.909000 0.7695000       2.965000      0.5613000     -0.5556000E-01  0.9525000
  1 1 1      21   -7   11 o    8.529000      0.2149000       8.418000 0.3037000       8.639000      0.3042000     -0.2210000      0.4299000
  1 1 1      21   -7   12 o    12.60000      0.2273000       12.98000 0.3188000       12.21000      0.3240000      0.7696000      0.4546000
  1 1 1      21   -7   13 o    1.915000      0.4935000       1.734000 0.6824000       2.095000      0.7131000     -0.3604000      0.9870000
  1 1 1      21   -7   14 o    9.555000      0.2138000       9.795000 0.2944000       9.316000      0.3101000      0.4791000      0.4275000
  1 1 1      21   -7   15 o    10.49000      0.2239000       10.90000 0.2991000       10.09000      0.3333000      0.8142000      0.4478000
  1 1 1      21   -7   16 o    5.287000      0.3123000       5.394000 0.3990000       5.180000      0.4804000      0.2131000      0.6245000
  1 1 1      21   -7   17 o    2.534000      0.5665000       2.678000 0.7255000       2.390000      0.8703000      0.2877000       1.133000
  1 1 1      21   -7   18 o    3.214000      0.5493000       3.239000 0.6709000       3.190000      0.8700000      0.4903000E-01   1.099000
  1 1 1      21   -7   19 o    2.108000      0.5893000       2.080000 0.8032000       2.137000      0.8625000     -0.5740000E-01   1.179000
  1 1 1      21   -7   20 o    2.407000      0.6032000       2.171000 0.7966000       2.643000      0.9060000     -0.4719000       1.206000
  1 1 1      21   -7   21 o    2.699000      0.6022000       2.438000 0.8076000       2.960000      0.8937000     -0.5220000       1.204000
  1 1 1      21   -7   22 o    3.507000      0.5456000       2.771000 0.7719000       4.244000      0.7713000      -1.472000       1.091000
  1 1 1      21   -7   23 o    2.611000      0.5199000       3.202000 0.6702000       2.021000      0.7949000       1.181000       1.040000
  1 1 1      21   -7   24 o    1.843000      0.4872000       2.292000 0.7407000       1.393000      0.6331000      0.8987000      0.9744000
  1 1 1      21   -7   25 o    4.572000      0.3209000       3.968000 0.5224000       5.177000      0.3728000      -1.209000      0.6418000
  1 1 1      21   -6    0 o    9.714000      0.2365000       9.021000 0.3546000       10.41000      0.3129000      -1.386000      0.4729000
  1 1 1      21   -6    1 o    6.803000      0.2968000       6.838000 0.3945000       6.768000      0.4435000      0.6982000E-01  0.5936000
  1 1 1      21   -6    2 o    14.01000      0.2567000       14.17000 0.3637000       13.85000      0.3622000      0.3177000      0.5133000
  1 1 1      21   -6    3 o    8.599000      0.3981000       8.834000 0.4843000       8.363000      0.6318000      0.4713000      0.7961000
  1 1 1      21   -6    4 o    9.207000      0.3733000       8.791000 0.4623000       9.622000      0.5863000     -0.8309000      0.7466000
  1 1 1      21   -6    5 o    7.210000      0.2469000       7.096000 0.3515000       7.323000      0.3469000     -0.2265000      0.4939000
  1 1 1      21   -6    6 o    12.61000      0.2378000       12.72000 0.3354000       12.49000      0.3371000      0.2291000      0.4755000
  1 1 1      21   -6    7 o    14.26000      0.3296000       14.36000 0.4824000       14.16000      0.4491000      0.1988000      0.6591000
  1 1 1      21   -6    8 o    2.557000      0.5478000       2.528000 0.8319000       2.587000      0.7128000     -0.5894000E-01   1.096000
  1 1 1      21   -6    9 o    5.495000      0.2615000       5.426000 0.3819000       5.564000      0.3572000     -0.1385000      0.5229000
  1 1 1      21   -6   10 o    4.173000      0.3132000       4.148000 0.4494000       4.197000      0.4364000     -0.4917000E-01  0.6264000
  1 1 1      21   -6   11 o    10.42000      0.2143000       10.64000 0.3012000       10.20000      0.3050000      0.4369000      0.4287000
  1 1 1      21   -6   12 o    1.549000      0.4459000       1.580000 0.6411000       1.518000      0.6198000      0.6239000E-01  0.8917000
  1 1 1      21   -6   13 f    8.412000      0.2081000       8.580000 0.2915000       8.244000      0.2970000      0.3358000      0.4161000
  1 1 1      21   -6   14 o    11.46000      0.2150000       11.59000 0.2964000       11.34000      0.3115000      0.2490000      0.4300000
  1 1 1      21   -6   15 o    11.39000      0.2134000       11.50000 0.2942000       11.29000      0.3091000      0.2047000      0.4268000
  1 1 1      21   -6   16 o    7.982000      0.2331000       8.121000 0.3005000       7.842000      0.3563000      0.2789000      0.4661000
  1 1 1      21   -6   17 o    6.628000      0.2666000       7.069000 0.3164000       6.187000      0.4292000      0.8823000      0.5332000
  1 1 1      21   -6   18 o    5.024000      0.3759000       5.406000 0.4039000       4.643000      0.6341000      0.7632000      0.7519000
  1 1 1      21   -6   19 o    3.863000      0.4804000       3.470000 0.6644000       4.257000      0.6941000     -0.7878000      0.9608000
  1 1 1      21   -6   20 o    6.732000      0.3581000       6.332000 0.4161000       7.133000      0.5830000     -0.8011000      0.7163000
  1 1 1      21   -6   21 o    3.751000      0.4946000       4.110000 0.5572000       3.393000      0.8173000      0.7168000      0.9892000
  1 1 1      21   -6   22 o    2.154000      0.5645000       1.946000 0.7529000       2.363000      0.8413000     -0.4171000       1.129000
  1 1 1      21   -6   23 o    2.217000      0.7324000       2.217000 0.7324000                  ?              ?              ?              ?
  1 1 1      21   -6   24 o    2.456000      0.4713000       3.045000 0.6069000       1.867000      0.7211000       1.178000      0.9425000
  1 1 1      21   -6   25 o    3.808000      0.5082000       4.359000 0.6074000       3.256000      0.8150000       1.103000       1.016000
  1 1 1      21   -6   26 o    1.642000      0.5163000       1.778000 0.7712000       1.505000      0.6865000      0.2733000       1.033000
  1 1 1      21   -5    0 o    4.744000      0.3310000       4.212000 0.5512000       5.277000      0.3668000      -1.065000      0.6620000
  1 1 1      21   -5    1 f    9.163000      0.2319000       9.054000 0.3488000       9.272000      0.3057000     -0.2182000      0.4638000
  1 1 1      21   -5    2 o    12.77000      0.3375000       12.62000 0.4882000       12.93000      0.4660000     -0.3100000      0.6749000
  1 1 1      21   -5    3 o    13.25000      0.2355000       13.47000 0.3484000       13.03000      0.3169000      0.4415000      0.4709000
  1 1 1      21   -5    4 o    7.532000      0.2353000       7.058000 0.3690000       8.005000      0.2920000     -0.9466000      0.4706000
  1 1 1      21   -5    5 o    3.750000      0.5095000       3.632000 0.8248000       3.869000      0.5986000     -0.2368000       1.019000
  1 1 1      21   -5    6 o    1.996000      0.5594000       2.202000 0.8654000       1.789000      0.7091000      0.4128000       1.119000
  1 1 1      21   -5    7 o    10.99000      0.2275000       11.13000 0.3192000       10.85000      0.3242000      0.2737000      0.4550000
  1 1 1      21   -5    8 f    7.326000      0.2256000       7.642000 0.3169000       7.009000      0.3211000      0.6328000      0.4511000
  1 1 1      21   -5    9 o    6.662000      0.2327000       6.736000 0.3325000       6.587000      0.3257000      0.1486000      0.4655000
  1 1 1      21   -5   10 o    5.759000      0.2406000       5.564000 0.3519000       5.954000      0.3284000     -0.3909000      0.4813000
  1 1 1      21   -5   11 o    11.50000      0.2184000       11.22000 0.3045000       11.77000      0.3132000     -0.5516000      0.4368000
  1 1 1      21   -5   12 o    4.070000      0.2955000       3.939000 0.4434000       4.201000      0.3909000     -0.2622000      0.5911000
  1 1 1      21   -5   13 o    11.63000      0.2128000       11.55000 0.2959000       11.71000      0.3059000     -0.1607000      0.4256000
  1 1 1      21   -5   14 o    14.56000      0.2335000       14.77000 0.3284000       14.36000      0.3320000      0.4104000      0.4670000
  1 1 1      21   -5   15 o    9.209000      0.2045000       9.325000 0.2777000       9.094000      0.3003000      0.2309000      0.4090000
  1 1 1      21   -5   16 o    9.971000      0.2048000       10.23000 0.2809000       9.713000      0.2980000      0.5169000      0.4095000
  1 1 1      21   -5   17 o    4.591000      0.3269000       4.816000 0.3774000       4.367000      0.5339000      0.4493000      0.6538000
  1 1 1      21   -5   18 o    10.87000      0.2952000       10.92000 0.3039000       10.81000      0.5061000      0.1133000      0.5903000
  1 1 1      21   -5   19 o    6.307000      0.3141000       6.626000 0.3678000       5.987000      0.5092000      0.6391000      0.6281000
  1 1 1      21   -5   20 o    5.143000      0.3946000       5.407000 0.4609000       4.879000      0.6406000      0.5278000      0.7892000
  1 1 1      21   -5   21 o    3.290000      0.5606000       2.890000 0.7517000       3.690000      0.8319000     -0.8000000       1.121000
  1 1 1      21   -5   22 o    2.516000      0.5689000       3.015000 0.7675000       2.016000      0.8398000      0.9999000       1.138000
  1 1 1      21   -5   23 o    4.923000      0.3631000       5.388000 0.4964000       4.457000      0.5302000      0.9308000      0.7263000
  1 1 1      21   -5   24 o    2.957000      0.5824000       2.775000 0.7883000       3.138000      0.8575000     -0.3632000       1.165000
  1 1 1      21   -5   25 o    2.069000      0.6469000                  ?       ?   2.069000      0.6469000                  ?              ?
  1 1 1      21   -5   26 o    1.794000      0.4649000       1.835000 0.6707000       1.754000      0.6438000      0.8082000E-01  0.9297000
  1 1 1      21   -5   27 o    2.361000      0.5558000       2.637000 0.8426000       2.085000      0.7251000      0.5522000       1.112000
  1 1 1      21   -4    0 o    5.981000      0.2887000       5.453000 0.4551000       6.508000      0.3554000      -1.055000      0.5774000
  1 1 1      21   -4    1 o    2.171000      0.5812000       1.928000 0.8177000       2.414000      0.8262000     -0.4863000       1.162000
  1 1 1      21   -4    2 o    2.992000      0.4572000       2.614000 0.7534000       3.371000      0.5182000     -0.7569000      0.9144000
  1 1 1      21   -4    3 o    9.149000      0.2250000       9.180000 0.3361000       9.118000      0.2993000      0.6188000E-01  0.4500000
  1 1 1      21   -4    4 o    2.731000      0.5501000       2.216000 0.8696000       3.246000      0.6740000      -1.030000       1.100000
  1 1 1      21   -4    5 o    9.187000      0.3034000       8.504000 0.4612000       9.870000      0.3943000      -1.366000      0.6068000
  1 1 1      21   -4    6 o    11.79000      0.2209000       11.56000 0.3222000       12.02000      0.3024000     -0.4595000      0.4418000
  1 1 1      21   -4    7 o    7.365000      0.2156000       7.228000 0.3277000       7.502000      0.2801000     -0.2734000      0.4311000
  1 1 1      21   -4    8 o    7.911000      0.2134000       7.623000 0.3247000       8.198000      0.2769000     -0.5753000      0.4267000
  1 1 1      21   -4    9 o    7.683000      0.2377000       7.914000 0.3069000       7.453000      0.3630000      0.4606000      0.4754000
  1 1 1      21   -4   10 o    7.589000      0.2315000       7.678000 0.3017000       7.500000      0.3511000      0.1786000      0.4630000
  1 1 1      21   -4   11 o    5.402000      0.2410000       5.554000 0.3378000       5.250000      0.3437000      0.3038000      0.4819000
  1 1 1      21   -4   12 o    10.72000      0.2073000       10.88000 0.2935000       10.55000      0.2928000      0.3326000      0.4146000
  1 1 1      21   -4   13 o    4.616000      0.2559000       4.700000 0.3624000       4.531000      0.3613000      0.1689000      0.5118000
  1 1 1      21   -4   14 o    17.17000      0.2602000       17.30000 0.3639000       17.03000      0.3720000      0.2654000      0.5204000
  1 1 1      21   -4   15 o    7.141000      0.1997000       7.252000 0.2780000       7.029000      0.2868000      0.2222000      0.3994000
  1 1 1      21   -4   16 o    4.263000      0.2795000       4.206000 0.3684000       4.319000      0.4204000     -0.1132000      0.5590000
  1 1 1      21   -4   17 o    5.808000      0.2506000       5.782000 0.3136000       5.834000      0.3908000     -0.5156000E-01  0.5011000
  1 1 1      21   -4   18 o    6.711000      0.2370000       6.865000 0.2954000       6.558000      0.3705000      0.3067000      0.4739000
  1 1 1      21   -4   19 o    1.655000      0.5007000       1.270000 0.5929000       2.039000      0.8070000     -0.7692000       1.001000
  1 1 1      21   -4   20 o    5.993000      0.3796000       6.239000 0.4541000       5.747000      0.6085000      0.4917000      0.7592000
  1 1 1      21   -4   21 o    3.010000      0.5721000       3.422000 0.6574000       2.598000      0.9366000      0.8240000       1.144000
  1 1 1      21   -4   22 o    1.475000      0.4705000       1.528000 0.6621000       1.421000      0.6687000      0.1069000      0.9411000
  1 1 1      21   -4   23 o    3.703000      0.4391000       4.830000 0.4219000       2.575000      0.7702000       2.255000      0.8782000
  1 1 1      21   -4   24 o    1.555000      0.4914000       1.756000 0.7506000       1.355000      0.6345000      0.4013000      0.9829000
  1 1 1      21   -4   25 o    2.410000      0.5043000       2.091000 0.7364000       2.729000      0.6891000     -0.6383000       1.009000
  1 1 1      21   -4   26 o    1.546000      0.4298000       1.454000 0.6023000       1.638000      0.6133000     -0.1847000      0.8596000
  1 1 1      21   -4   27 o    5.184000      0.3087000       5.378000 0.4550000       4.990000      0.4174000      0.3884000      0.6174000
  1 1 1      21   -3    0 o    7.197000      0.3440000       6.981000 0.5022000       7.413000      0.4704000     -0.4322000      0.6881000
  1 1 1      21   -3    1 o    6.952000      0.2455000       6.572000 0.3777000       7.333000      0.3136000     -0.7604000      0.4909000
  1 1 1      21   -3    2 o    6.673000      0.2435000       7.360000 0.3529000       5.985000      0.3358000       1.376000      0.4871000
  1 1 1      21   -3    3 o    11.92000      0.3213000       12.02000 0.4835000       11.82000      0.4232000      0.2033000      0.6426000
  1 1 1      21   -3    4 o    12.75000      0.2306000       13.08000 0.3407000       12.42000      0.3108000      0.6625000      0.4612000
  1 1 1      21   -3    5 o    13.13000      0.2318000       12.98000 0.3357000       13.29000      0.3198000     -0.3116000      0.4636000
  1 1 1      21   -3    6 o    1.573000      0.4524000       1.764000 0.6917000       1.383000      0.5832000      0.3805000      0.9048000
  1 1 1      21   -3    7 o    12.35000      0.2195000       12.44000 0.3203000       12.26000      0.3001000      0.1773000      0.4389000
  1 1 1      21   -3    8 o    8.818000      0.2026000       8.522000 0.3020000       9.115000      0.2700000     -0.5933000      0.4051000
  1 1 1      21   -3    9 o    10.62000      0.2050000       10.57000 0.3009000       10.67000      0.2784000     -0.9729000E-01  0.4099000
  1 1 1      21   -3   10 o    11.87000      0.2097000       11.97000 0.3072000       11.77000      0.2856000      0.2015000      0.4194000
  1 1 1      21   -3   11 o    10.66000      0.2000000       11.09000 0.2960000       10.22000      0.2690000      0.8682000      0.4000000
  1 1 1      21   -3   12 o    7.507000      0.1940000       7.754000 0.2857000       7.259000      0.2626000      0.4950000      0.3881000
  1 1 1      21   -3   13 o    11.89000      0.2038000       11.67000 0.2934000       12.11000      0.2829000     -0.4344000      0.4076000
  1 1 1      21   -3   14 o    14.85000      0.2283000       14.78000 0.3260000       14.93000      0.3196000     -0.1424000      0.4566000
  1 1 1      21   -3   15 o    2.154000      0.4407000       1.655000 0.6128000       2.652000      0.6335000     -0.9967000      0.8814000
  1 1 1      21   -3   16 o    2.797000      0.4114000       2.906000 0.5186000       2.688000      0.6388000      0.2172000      0.8228000
  1 1 1      21   -3   17 o    1.867000      0.4383000       2.174000 0.6201000       1.560000      0.6194000      0.6131000      0.8765000
  1 1 1      21   -3   18 o    5.924000      0.3676000       5.905000 0.4640000       5.943000      0.5704000     -0.3714000E-01  0.7353000
  1 1 1      21   -3   19 o    6.450000      0.3562000       6.810000 0.4358000       6.090000      0.5637000      0.7200000      0.7125000
  1 1 1      21   -3   20 o    5.691000      0.3126000       6.178000 0.3556000       5.205000      0.5142000      0.9725000      0.6252000
  1 1 1      21   -3   21 o    3.116000      0.6860000       2.246000 0.7647000       3.987000       1.139000      -1.740000       1.372000
  1 1 1      21   -3   22 o    3.306000      0.6330000       4.624000 0.8834000       1.987000      0.9069000       2.637000       1.266000
  1 1 1      21   -3   23 o    2.520000      0.4392000       3.343000 0.5119000       1.698000      0.7139000       1.646000      0.8784000
  1 1 1      21   -3   24 o    3.162000      0.3836000       3.354000 0.4419000       2.970000      0.6272000      0.3839000      0.7672000
  1 1 1      21   -3   25 f    2.024000      0.4020000       2.450000 0.5345000       1.598000      0.6005000      0.8515000      0.8040000
  1 1 1      21   -3   26 o    1.258000      0.3795000       1.113000 0.5123000       1.404000      0.5602000     -0.2912000      0.7591000
  1 1 1      21   -3   27 o    3.249000      0.2917000       3.261000 0.4342000       3.237000      0.3898000      0.2423000E-01  0.5835000
  1 1 1      21   -3   28 o    2.120000      0.4511000       2.244000 0.5935000       1.996000      0.6795000      0.2480000      0.9022000
  1 1 1      21   -2    0 o    2.931000      0.4645000       3.094000 0.6879000       2.769000      0.6243000      0.3250000      0.9290000
  1 1 1      21   -2    1 o    3.383000      0.4122000       3.491000 0.6181000       3.274000      0.5456000      0.2171000      0.8244000
  1 1 1      21   -2    2 o    4.097000      0.4759000       4.377000 0.7307000       3.816000      0.6098000      0.5609000      0.9518000
  1 1 1      21   -2    3 o    6.352000      0.2905000       7.212000 0.4832000       5.492000      0.3225000       1.720000      0.5809000
  1 1 1      21   -2    4 o    4.964000      0.2660000       5.242000 0.3983000       4.685000      0.3527000      0.5570000      0.5321000
  1 1 1      21   -2    5 o    3.988000      0.3188000       4.147000 0.4766000       3.830000      0.4234000      0.3176000      0.6375000
  1 1 1      21   -2    6 o    7.735000      0.2151000       7.480000 0.3261000       7.990000      0.2807000     -0.5100000      0.4303000
  1 1 1      21   -2    7 o    11.42000      0.2139000       11.07000 0.3086000       11.78000      0.2961000     -0.7163000      0.4277000
  1 1 1      21   -2    8 o    2.625000      0.4143000       2.418000 0.6475000       2.832000      0.5169000     -0.4138000      0.8285000
  1 1 1      21   -2    9 o    3.155000      0.3674000       2.737000 0.6160000       3.573000      0.4006000     -0.8366000      0.7348000
  1 1 1      21   -2   10 o    10.58000      0.2021000       11.12000 0.3007000       10.05000      0.2703000       1.070000      0.4043000
  1 1 1      21   -2   11 o    9.109000      0.1938000       9.525000 0.2880000       8.694000      0.2594000      0.8311000      0.3876000
  1 1 1      21   -2   12 o    4.788000      0.2354000       4.693000 0.3591000       4.884000      0.3046000     -0.1904000      0.4709000
  1 1 1      21   -2   13 o    7.635000      0.1876000       7.671000 0.2811000       7.598000      0.2485000      0.7213000E-01  0.3752000
  1 1 1      21   -2   14 o    7.836000      0.1832000       7.643000 0.2738000       8.030000      0.2434000     -0.3864000      0.3664000
  1 1 1      21   -2   15 o    5.768000      0.1968000       5.887000 0.2960000       5.649000      0.2593000      0.2382000      0.3935000
  1 1 1      21   -2   16 o    6.508000      0.2826000       6.384000 0.4269000       6.633000      0.3706000     -0.2485000      0.5653000
  1 1 1      21   -2   17 o    5.802000      0.2899000       6.375000 0.4271000       5.229000      0.3922000       1.145000      0.5799000
  1 1 1      21   -2   18 o    3.058000      0.2992000       3.074000 0.4340000       3.042000      0.4120000      0.3179000E-01  0.5984000
  1 1 1      21   -2   19 o    9.109000      0.1880000       9.265000 0.2708000       8.954000      0.2607000      0.3114000      0.3759000
  1 1 1      21   -2   21 o    3.712000      0.3567000       3.686000 0.5262000       3.737000      0.4818000     -0.5154000E-01  0.7134000
  1 1 1      21   -2   22 o    3.879000      0.6811000       4.296000 0.9104000       3.463000       1.013000      0.8334000       1.362000
  1 1 1      21   -2   23 o    5.203000      0.2549000       5.178000 0.3567000       5.229000      0.3643000     -0.5046000E-01  0.5098000
  1 1 1      21   -2   24 o    7.154000      0.2466000       7.154000 0.2466000                  ?              ?              ?              ?
  1 1 1      21   -2   25 o    2.344000      0.3716000       2.343000 0.5068000       2.344000      0.5436000     -0.1134000E-02  0.7432000
  1 1 1      21   -2   26 o    3.891000      0.3615000                  ?       ?   3.891000      0.3615000                  ?              ?
  1 1 1      21   -2   27 o    4.367000      0.2302000       3.814000 0.3375000       4.920000      0.3132000      -1.106000      0.4605000
  1 1 1      21   -2   28 f    4.047000      0.2435000       4.016000 0.2887000       4.079000      0.3922000     -0.6290000E-01  0.4870000
  1 1 1      21   -2   29 o    1.643000      0.6120000       1.643000 0.6120000                  ?              ?              ?              ?
  1 1 1      21   -1    0 o    19.31000      0.2964000       19.34000 0.4250000       19.29000      0.4134000      0.5593000E-01  0.5929000
  1 1 1      21   -1    1 o    9.039000      0.3262000       8.681000 0.4959000       9.397000      0.4240000     -0.7161000      0.6525000
  1 1 1      21   -1    2 o    2.325000      0.4767000       2.164000 0.7211000       2.486000      0.6238000     -0.3220000      0.9535000
  1 1 1      21   -1    3 o    4.182000      0.3234000       4.327000 0.4724000       4.036000      0.4417000      0.2911000      0.6467000
  1 1 1      21   -1    4 o    3.387000      0.3594000       3.441000 0.5388000       3.333000      0.4759000      0.1087000      0.7189000
  1 1 1      21   -1    5 o    9.606000      0.2118000       9.812000 0.3150000       9.401000      0.2832000      0.4107000      0.4236000
  1 1 1      21   -1    6 f    6.312000      0.2301000       6.997000 0.3245000       5.627000      0.3262000       1.371000      0.4601000
  1 1 1      21   -1    7 o    7.510000      0.2133000       7.270000 0.3251000       7.749000      0.2760000     -0.4790000      0.4265000
  1 1 1      21   -1    8 o    8.061000      0.2056000       8.083000 0.3104000       8.039000      0.2698000      0.4399000E-01  0.4113000
  1 1 1      21   -1    9 o    6.555000      0.2101000       6.851000 0.3115000       6.259000      0.2819000      0.5923000      0.4201000
  1 1 1      21   -1   10 o    7.510000      0.1992000       7.792000 0.2958000       7.228000      0.2671000      0.5642000      0.3985000
  1 1 1      21   -1   11 o    2.927000      0.3501000       3.250000 0.4982000       2.603000      0.4919000      0.6469000      0.7001000
  1 1 1      21   -1   12 o    5.076000      0.2243000       5.481000 0.3240000       4.670000      0.3104000      0.8108000      0.4487000
  1 1 1      21   -1   13 o    17.67000      0.2606000       17.99000 0.3783000       17.35000      0.3586000      0.6405000      0.5213000
  1 1 1      21   -1   14 o    10.89000      0.1936000       10.73000 0.2797000       11.04000      0.2676000     -0.3116000      0.3871000
  1 1 1      21   -1   15 o    14.56000      0.3241000       14.80000 0.4691000       14.32000      0.4472000      0.4835000      0.6481000
  1 1 1      21   -1   16 f    2.501000      0.3582000       2.414000 0.5548000       2.588000      0.4533000     -0.1746000      0.7165000
  1 1 1      21   -1   17 o    4.416000      0.2081000       4.464000 0.3098000       4.369000      0.2781000      0.9429000E-01  0.4163000
  1 1 1      21   -1   18 o    5.305000      0.2452000       5.502000 0.3468000       5.108000      0.3466000      0.3940000      0.4903000
  1 1 1      21   -1   19 f    1.827000      0.4710000       1.627000 0.5696000       2.027000      0.7502000     -0.3998000      0.9420000
  1 1 1      21   -1   20 o    4.013000      0.2724000       3.764000 0.4059000       4.262000      0.3633000     -0.4983000      0.5447000
  1 1 1      21   -1   21 o    1.315000      0.4112000       1.386000 0.6054000       1.245000      0.5567000      0.1415000      0.8225000
  1 1 1      21   -1   22 o    4.372000      0.2913000       4.587000 0.4040000       4.157000      0.4198000      0.4295000      0.5826000
  1 1 1      21   -1   23 o    6.632000      0.2158000       6.171000 0.2915000       7.094000      0.3182000     -0.9237000      0.4316000
  1 1 1      21   -1   24 o    2.230000      0.4976000       2.230000 0.4976000                  ?              ?              ?              ?
  1 1 1      21   -1   25 o    5.261000      0.1611000       5.148000 0.2435000       5.374000      0.2111000     -0.2261000      0.3223000
  1 1 1      21   -1   26 o    3.032000      0.3010000                  ?       ?   3.032000      0.3010000                  ?              ?
  1 1 1      21   -1   27 o    2.459000      0.2816000       2.785000 0.4088000       2.134000      0.3875000      0.6506000      0.5633000
  1 1 1      21    0    0 o    13.95000      0.3361000       14.11000 0.4747000       13.79000      0.4760000      0.3226000      0.6723000
  1 1 1      21    0    1 o    11.65000      0.2231000       11.64000 0.3124000       11.67000      0.3185000     -0.3295000E-01  0.4461000
  1 1 1      21    0    2 o    9.952000      0.2189000       9.701000 0.3122000       10.20000      0.3068000     -0.5013000      0.4377000
  1 1 1      21    0    3 o    11.33000      0.2232000       11.75000 0.3291000       10.91000      0.3015000      0.8350000      0.4463000
  1 1 1      21    0    4 o    9.971000      0.2128000       9.960000 0.3139000       9.983000      0.2875000     -0.2325000E-01  0.4256000
  1 1 1      21    0    5 o    6.851000      0.2191000       6.841000 0.3305000       6.861000      0.2877000     -0.2039000E-01  0.4382000
  1 1 1      21    0    6 o    10.90000      0.2130000       10.68000 0.3107000       11.12000      0.2915000     -0.4409000      0.4261000
  1 1 1      21    0    7 o    10.77000      0.2574000       10.79000 0.4287000       10.74000      0.2849000      0.4889000E-01  0.5148000
  1 1 1      21    0    8 o    12.94000      0.2201000       13.21000 0.3204000       12.67000      0.3020000      0.5350000      0.4402000
  1 1 1      21    0    9 o    5.521000      0.2223000       5.876000 0.3191000       5.166000      0.3095000      0.7107000      0.4446000
  1 1 1      21    0   10 o    1.290000      0.3983000       1.238000 0.5624000       1.342000      0.5643000     -0.1034000      0.7967000
  1 1 1      21    0   11 o    3.418000      0.3127000       3.751000 0.4488000       3.084000      0.4355000      0.6670000      0.6253000
  1 1 1      21    0   12 o    10.13000      0.1955000       10.56000 0.2879000       9.698000      0.2646000      0.8597000      0.3910000
  1 1 1      21    0   13 o    11.91000      0.2933000       11.69000 0.4164000       12.13000      0.4131000     -0.4451000      0.5865000
  1 1 1      21    0   14 o    2.673000      0.4658000       3.458000 0.5988000       1.888000      0.7138000       1.570000      0.9317000
  1 1 1      21    0   15 o    4.661000      0.2158000       4.403000 0.3306000       4.920000      0.2775000     -0.5165000      0.4317000
  1 1 1      21    0   16 o    12.74000      0.2037000       12.41000 0.2901000       13.07000      0.2861000     -0.6521000      0.4074000
  1 1 1      21    0   17 o    10.41000      0.2400000       10.08000 0.3439000       10.74000      0.3348000     -0.6631000      0.4800000
  1 1 1      21    0   18 o    2.276000      0.3448000       1.887000 0.5672000       2.666000      0.3922000     -0.7790000      0.6896000
  1 1 1      21    0   19 o    8.687000      0.1918000       8.773000 0.3076000       8.600000      0.2292000      0.1729000      0.3836000
  1 1 1      21    0   20 o    1.529000      0.4100000       1.394000 0.5651000       1.664000      0.5942000     -0.2700000      0.8200000
  1 1 1      21    0   21 o    3.360000      0.3386000       3.547000 0.4540000       3.172000      0.5025000      0.3757000      0.6772000
  1 1 1      21    0   22 o    1.786000      0.4669000       1.854000 0.6779000       1.719000      0.6421000      0.1358000      0.9338000
  1 1 1      21    0   23 o    4.691000      0.2494000       4.414000 0.3355000       4.968000      0.3693000     -0.5547000      0.4989000
  1 1 1      21    0   24 o    2.853000      0.3269000       3.509000 0.5208000       2.197000      0.3952000       1.312000      0.6538000
  1 1 1      21    0   25 o    3.372000      0.1873000       3.590000 0.2772000       3.154000      0.2520000      0.4360000      0.3746000
  1 1 1      21    1    0 o    6.625000      0.2890000       6.484000 0.3460000       6.765000      0.4631000     -0.2805000      0.5781000
  1 1 1      21    1    1 o    14.59000      0.2446000       14.55000 0.3452000       14.64000      0.3467000     -0.9231000E-01  0.4892000
  1 1 1      21    1    2 o    9.994000      0.2145000       9.977000 0.3032000       10.01000      0.3035000     -0.3349000E-01  0.4290000
  1 1 1      21    1    3 o    13.13000      0.2276000       13.24000 0.3235000       13.02000      0.3204000      0.2238000      0.4553000
  1 1 1      21    1    4 o    2.588000      0.4119000       2.184000 0.6439000       2.992000      0.5137000     -0.8075000      0.8237000
  1 1 1      21    1    5 o    1.810000      0.4521000       1.764000 0.6416000       1.856000      0.6372000     -0.9208000E-01  0.9042000
  1 1 1      21    1    6 o    15.31000      0.3027000       15.41000 0.4997000       15.21000      0.3417000      0.2035000      0.6054000
  1 1 1      21    1    7 o    3.061000      0.3714000       3.204000 0.5524000       2.918000      0.4966000      0.2861000      0.7428000
  1 1 1      21    1    8 o    8.471000      0.2003000       8.510000 0.2967000       8.432000      0.2690000      0.7777000E-01  0.4005000
  1 1 1      21    1    9 o    10.19000      0.2037000       10.50000 0.2998000       9.873000      0.2760000      0.6300000      0.4075000
  1 1 1      21    1   10 o    4.233000      0.2711000       4.455000 0.4016000       4.010000      0.3643000      0.4450000      0.5422000
  1 1 1      21    1   11 o    1.509000      0.3969000       1.135000 0.5285000       1.883000      0.5922000     -0.7490000      0.7937000
  1 1 1      21    1   12 o    12.76000      0.3029000       12.62000 0.4282000       12.90000      0.4285000     -0.2821000      0.6058000
  1 1 1      21    1   13 o    7.353000      0.2719000       7.311000 0.3870000       7.395000      0.3820000     -0.8390000E-01  0.5438000
  1 1 1      21    1   14 o    5.934000      0.1971000       5.765000 0.3018000       6.103000      0.2536000     -0.3379000      0.3942000
  1 1 1      21    1   15 o    7.278000      0.1831000       7.274000 0.2747000       7.281000      0.2422000     -0.6973000E-02  0.3663000
  1 1 1      21    1   16 o    13.29000      0.2873000       12.87000 0.4058000       13.71000      0.4068000     -0.8429000      0.5746000
  1 1 1      21    1   17 o    4.948000      0.1946000       4.528000 0.3041000       5.369000      0.2431000     -0.8409000      0.3893000
  1 1 1      21    1   18 o    4.230000      0.2011000       4.227000 0.3046000       4.233000      0.2628000     -0.6058000E-02  0.4023000
  1 1 1      21    1   19 o    7.036000      0.1549000       7.248000 0.2239000       6.825000      0.2141000      0.4228000      0.3098000
  1 1 1      21    1   20 o    5.955000      0.1637000       5.824000 0.2337000       6.087000      0.2293000     -0.2631000      0.3274000
  1 1 1      21    1   21 o    2.038000      0.4080000       1.585000 0.5941000       2.491000      0.5596000     -0.9060000      0.8161000
  1 1 1      21    1   22 o    3.852000      0.3079000       3.514000 0.4554000       4.190000      0.4146000     -0.6762000      0.6158000
  1 1 1      21    1   23 o    2.005000      0.3656000       2.611000 0.4894000       1.399000      0.5432000       1.212000      0.7312000
  1 1 1      21    2    0 f    3.142000      0.4147000       3.733000 0.4845000       2.552000      0.6732000       1.181000      0.8294000
  1 1 1      21    2    1 o    8.442000      0.2182000       8.308000 0.3080000       8.576000      0.3091000     -0.2681000      0.4364000
  1 1 1      21    2    2 o    4.811000      0.2693000       4.780000 0.3694000       4.842000      0.3920000     -0.6204000E-01  0.5387000
  1 1 1      21    2    3 o    8.353000      0.2083000       8.582000 0.2933000       8.123000      0.2960000      0.4588000      0.4167000
  1 1 1      21    2    4 o    7.329000      0.2115000       7.120000 0.3045000       7.537000      0.2937000     -0.4162000      0.4230000
  1 1 1      21    2    5 o    9.047000      0.2058000       9.346000 0.2915000       8.748000      0.2905000      0.5980000      0.4115000
  1 1 1      21    2    6 o    6.506000      0.2130000       6.369000 0.3036000       6.643000      0.2988000     -0.2741000      0.4260000
  1 1 1      21    2    7 o    8.802000      0.1979000       8.709000 0.2781000       8.896000      0.2817000     -0.1876000      0.3958000
  1 1 1      21    2    8 o    9.029000      0.1962000       9.064000 0.2790000       8.994000      0.2760000      0.7041000E-01  0.3924000
  1 1 1      21    2    9 o    7.445000      0.1928000       7.550000 0.2684000       7.340000      0.2768000      0.2105000      0.3856000
  1 1 1      21    2   10 o    2.093000      0.4233000       1.693000 0.6585000       2.494000      0.5321000     -0.8007000      0.8466000
  1 1 1      21    2   11 o    3.806000      0.2907000       4.360000 0.4105000       3.252000      0.4117000       1.108000      0.5814000
  1 1 1      21    2   12 o    8.677000      0.2717000       8.996000 0.3918000       8.358000      0.3767000      0.6384000      0.5435000
  1 1 1      21    2   13 o    5.112000      0.2256000       4.958000 0.3477000       5.266000      0.2875000     -0.3084000      0.4511000
  1 1 1      21    2   14 o    9.592000      0.1879000       9.393000 0.2752000       9.790000      0.2560000     -0.3970000      0.3759000
  1 1 1      21    2   15 o    6.681000      0.2472000       6.545000 0.3779000       6.818000      0.3187000     -0.2725000      0.4943000
  1 1 1      21    2   16 o    6.443000      0.1815000       6.480000 0.2731000       6.406000      0.2391000      0.7434000E-01  0.3630000
  1 1 1      21    2   17 o    7.914000      0.1698000       8.154000 0.2515000       7.673000      0.2281000      0.4809000      0.3395000
  1 1 1      21    2   18 o    5.392000      0.1767000       5.454000 0.2601000       5.330000      0.2393000      0.1233000      0.3534000
  1 1 1      21    2   19 o    7.864000      0.1556000       7.693000 0.2258000       8.036000      0.2142000     -0.3425000      0.3112000
  1 1 1      21    2   20 o    1.469000      0.3445000       1.237000 0.4987000       1.700000      0.4755000     -0.4627000      0.6891000
  1 1 1      21    2   21 o    6.565000      0.1568000       6.731000 0.2175000       6.399000      0.2260000      0.3321000      0.3137000
  1 1 1      21    2   22 o    4.683000      0.2415000       4.471000 0.3396000       4.895000      0.3433000     -0.4240000      0.4829000
  1 1 1      21    3    0 o    6.340000      0.2511000       6.166000 0.3661000       6.514000      0.3438000     -0.3479000      0.5022000
  1 1 1      21    3    1 o    9.619000      0.2164000       9.892000 0.3051000       9.346000      0.3071000      0.5454000      0.4329000
  1 1 1      21    3    2 o    9.086000      0.2115000       9.186000 0.2992000       8.986000      0.2988000      0.2000000      0.4229000
  1 1 1      21    3    3 o    5.987000      0.2382000       6.160000 0.3244000       5.815000      0.3490000      0.3448000      0.4765000
  1 1 1      21    3    4 o    10.48000      0.2101000       10.53000 0.3004000       10.42000      0.2940000      0.1070000      0.4203000
  1 1 1      21    3    5 o    10.92000      0.2096000       11.06000 0.2961000       10.78000      0.2966000      0.2730000      0.4191000
  1 1 1      21    3    6 o    11.21000      0.2113000       10.94000 0.2972000       11.48000      0.3006000     -0.5472000      0.4227000
  1 1 1      21    3    7 o    5.493000      0.2277000       5.515000 0.3104000       5.471000      0.3332000      0.4395000E-01  0.4553000
  1 1 1      21    3    8 o    1.333000      0.4013000       1.133000 0.5202000       1.533000      0.6111000     -0.3998000      0.8025000
  1 1 1      21    3    9 f    1.503000      0.4022000       1.081000 0.5007000       1.925000      0.6296000     -0.8437000      0.8045000
  1 1 1      21    3   10 o    6.257000      0.1985000       6.167000 0.2790000       6.348000      0.2824000     -0.1805000      0.3969000
  1 1 1      21    3   11 o    12.40000      0.3030000       13.04000 0.4409000       11.76000      0.4157000       1.277000      0.6059000
  1 1 1      21    3   12 o    4.855000      0.2793000       5.285000 0.4654000       4.424000      0.3090000      0.8607000      0.5586000
  1 1 1      21    3   13 o    3.817000      0.2924000       3.782000 0.4503000       3.852000      0.3730000     -0.7006000E-01  0.5848000
  1 1 1      21    3   14 o    21.05000      0.4216000       21.06000 0.6028000       21.04000      0.5897000      0.1863000E-01  0.8433000
  1 1 1      21    3   15 o    7.930000      0.1849000       7.846000 0.2784000       8.015000      0.2435000     -0.1690000      0.3698000
  1 1 1      21    3   16 o    9.963000      0.1818000       10.03000 0.2664000       9.895000      0.2476000      0.1360000      0.3636000
  1 1 1      21    3   17 o    12.03000      0.1924000       12.17000 0.2786000       11.90000      0.2654000      0.2718000      0.3848000
  1 1 1      21    3   18 o    3.783000      0.2216000       3.770000 0.3388000       3.795000      0.2856000     -0.2460000E-01  0.4431000
  1 1 1      21    3   19 o    7.408000      0.1531000       7.380000 0.2240000       7.435000      0.2087000     -0.5536000E-01  0.3062000
  1 1 1      21    3   20 o    5.301000      0.1495000       5.470000 0.2179000       5.131000      0.2048000      0.3386000      0.2991000
  1 1 1      21    3   21 o    7.629000      0.1389000       7.631000 0.1999000       7.628000      0.1928000      0.3139000E-02  0.2777000
  1 1 1      21    4    0 o    7.732000      0.2294000       7.808000 0.3240000       7.656000      0.3248000      0.1515000      0.4588000
  1 1 1      21    4    1 o    3.168000      0.4181000       3.653000 0.5099000       2.682000      0.6627000      0.9713000      0.8361000
  1 1 1      21    4    2 o    7.723000      0.2174000       7.665000 0.3036000       7.781000      0.3114000     -0.1159000      0.4349000
  1 1 1      21    4    3 o    9.109000      0.2094000       9.214000 0.2961000       9.004000      0.2960000      0.2102000      0.4187000
  1 1 1      21    4    4 o    5.447000      0.2443000       5.252000 0.3541000       5.642000      0.3368000     -0.3902000      0.4887000
  1 1 1      21    4    5 o    4.105000      0.2869000       4.085000 0.3970000       4.126000      0.4144000     -0.4140000E-01  0.5739000
  1 1 1      21    4    6 o    14.65000      0.2379000       14.42000 0.3322000       14.88000      0.3407000     -0.4672000      0.4759000
  1 1 1      21    4    7 o    6.872000      0.2109000       7.046000 0.2899000       6.697000      0.3063000      0.3493000      0.4217000
  1 1 1      21    4    8 o    6.354000      0.2124000       6.439000 0.2960000       6.270000      0.3047000      0.1683000      0.4248000
  1 1 1      21    4    9 o    8.369000      0.1982000       8.301000 0.2807000       8.437000      0.2798000     -0.1356000      0.3964000
  1 1 1      21    4   10 f    5.085000      0.2954000       5.282000 0.3271000       4.889000      0.4919000      0.3933000      0.5907000
  1 1 1      21    4   11 o    4.980000      0.3454000       5.421000 0.4764000       4.540000      0.5004000      0.8808000      0.6909000
  1 1 1      21    4   12 o    11.99000      0.2025000       12.10000 0.2872000       11.88000      0.2855000      0.2191000      0.4050000
  1 1 1      21    4   13 o    10.85000      0.1906000       10.90000 0.2697000       10.80000      0.2695000      0.9333000E-01  0.3813000
  1 1 1      21    4   14 o    9.654000      0.2416000       9.780000 0.3366000       9.527000      0.3466000      0.2526000      0.4831000
  1 1 1      21    4   15 o    4.374000      0.2109000       4.703000 0.2789000       4.045000      0.3165000      0.6581000      0.4219000
  1 1 1      21    4   16 o    10.85000      0.1880000       11.08000 0.2777000       10.62000      0.2536000      0.4569000      0.3761000
  1 1 1      21    4   17 o    4.866000      0.2031000       4.696000 0.3206000       5.036000      0.2494000     -0.3396000      0.4062000
  1 1 1      21    4   18 o    5.139000      0.1782000       5.604000 0.2620000       4.674000      0.2414000      0.9303000      0.3563000
  1 1 1      21    4   19 o    12.54000      0.1906000       12.44000 0.2725000       12.63000      0.2666000     -0.1815000      0.3812000
  1 1 1      21    4   20 o    9.711000      0.1587000       9.505000 0.2286000       9.917000      0.2203000     -0.4120000      0.3175000
  1 1 1      21    4   21 o    6.019000      0.1274000       5.914000 0.1925000       6.123000      0.1669000     -0.2088000      0.2547000
  1 1 1      21    5    0 o    6.839000      0.2388000       6.501000 0.3506000       7.177000      0.3245000     -0.6753000      0.4777000
  1 1 1      21    5    1 o    13.13000      0.2331000       12.84000 0.3284000       13.42000      0.3309000     -0.5830000      0.4662000
  1 1 1      21    5    2 o    6.144000      0.2410000       6.122000 0.3379000       6.166000      0.3438000     -0.4384000E-01  0.4821000
  1 1 1      21    5    3 o    9.510000      0.2145000       9.413000 0.3003000       9.608000      0.3064000     -0.1950000      0.4290000
  1 1 1      21    5    4 o    7.135000      0.2173000       7.366000 0.3007000       6.903000      0.3139000      0.4633000      0.4347000
  1 1 1      21    5    5 o    6.226000      0.2281000       6.242000 0.3129000       6.210000      0.3319000      0.3201000E-01  0.4561000
  1 1 1      21    5    6 o    3.092000      0.3828000       3.139000 0.5332000       3.046000      0.5494000      0.9250000E-01  0.7656000
  1 1 1      21    5    7 o    6.785000      0.2106000       6.497000 0.2990000       7.073000      0.2968000     -0.5758000      0.4213000
  1 1 1      21    5    8 o    6.815000      0.2116000       7.306000 0.2909000       6.323000      0.3074000      0.9837000      0.4232000
  1 1 1      21    5    9 o    4.178000      0.2701000       4.152000 0.3732000       4.205000      0.3907000     -0.5271000E-01  0.5402000
  1 1 1      21    5   10 o    5.792000      0.3221000       6.155000 0.4374000       5.428000      0.4728000      0.7271000      0.6441000
  1 1 1      21    5   11 f    6.192000      0.3084000       5.572000 0.4644000       6.813000      0.4059000      -1.241000      0.6168000
  1 1 1      21    5   12 o    10.13000      0.1911000       10.32000 0.2708000       9.930000      0.2696000      0.3892000      0.3821000
  1 1 1      21    5   13 o    13.98000      0.3039000       13.81000 0.4211000       14.14000      0.4383000     -0.3250000      0.6078000
  1 1 1      21    5   14 o    4.286000      0.2679000       4.294000 0.2869000       4.278000      0.4525000      0.1541000E-01  0.5357000
  1 1 1      21    5   15 o    5.276000      0.1884000       5.366000 0.2621000       5.187000      0.2707000      0.1789000      0.3768000
  1 1 1      21    5   16 o    11.51000      0.1868000       11.36000 0.2621000       11.66000      0.2663000     -0.2975000      0.3736000
  1 1 1      21    5   17 o    5.137000      0.1942000       4.878000 0.3041000       5.397000      0.2415000     -0.5183000      0.3883000
  1 1 1      21    5   18 o    5.248000      0.1606000       5.286000 0.2266000       5.210000      0.2276000      0.7604000E-01  0.3211000
  1 1 1      21    5   19 o    10.44000      0.1700000       10.04000 0.2428000       10.84000      0.2380000     -0.7988000      0.3400000
  1 1 1      21    5   20 o    8.850000      0.1855000       8.504000 0.3070000       9.195000      0.2081000     -0.6910000      0.3709000
  1 1 1      21    5   21 o    14.38000      0.2019000       14.35000 0.2887000       14.41000      0.2822000     -0.6627000E-01  0.4038000
  1 1 1      21    6    0 o    8.648000      0.2265000       8.543000 0.3225000       8.753000      0.3180000     -0.2099000      0.4529000
  1 1 1      21    6    1 o    8.593000      0.2230000       8.473000 0.3181000       8.713000      0.3126000     -0.2397000      0.4460000
  1 1 1      21    6    2 o    2.194000      0.4671000       2.667000 0.6470000       1.720000      0.6739000      0.9473000      0.9342000
  1 1 1      21    6    3 o    4.114000      0.3158000       4.544000 0.4041000       3.685000      0.4853000      0.8588000      0.6315000
  1 1 1      21    6    4 o    7.981000      0.2142000       7.979000 0.2990000       7.982000      0.3068000     -0.2967000E-02  0.4284000
  1 1 1      21    6    5 o    2.299000      0.4567000       2.705000 0.6031000       1.892000      0.6858000      0.8129000      0.9133000
  1 1 1      21    6    6 o    13.93000      0.2319000       14.39000 0.3331000       13.46000      0.3227000      0.9256000      0.4638000
  1 1 1      21    6    7 o    11.06000      0.2111000       11.07000 0.2959000       11.04000      0.3010000      0.2945000E-01  0.4221000
  1 1 1      21    6    8 o    12.30000      0.2161000       12.24000 0.3048000       12.36000      0.3064000     -0.1209000      0.4322000
  1 1 1      21    6    9 o    6.550000      0.2110000       6.516000 0.2929000       6.584000      0.3039000     -0.6778000E-01  0.4221000
  1 1 1      21    6   10 o    8.211000      0.2880000       7.578000 0.4239000       8.844000      0.3899000      -1.266000      0.5759000
  1 1 1      21    6   11 o    8.714000      0.2813000       8.595000 0.4094000       8.833000      0.3860000     -0.2375000      0.5627000
  1 1 1      21    6   12 o    8.031000      0.1902000       7.949000 0.2713000       8.114000      0.2667000     -0.1649000      0.3804000
  1 1 1      21    6   13 o    5.151000      0.2799000       5.214000 0.3718000       5.088000      0.4184000      0.1259000      0.5597000
  1 1 1      21    6   14 o    12.76000      0.2048000       12.55000 0.2883000       12.96000      0.2909000     -0.4073000      0.4096000
  1 1 1      21    6   15 o    6.037000      0.1790000       6.189000 0.2500000       5.886000      0.2562000      0.3027000      0.3580000
  1 1 1      21    6   16 o    2.230000      0.3554000       2.394000 0.4689000       2.067000      0.5343000      0.3275000      0.7109000
  1 1 1      21    6   17 o    7.121000      0.1574000       7.275000 0.2243000       6.967000      0.2209000      0.3077000      0.3148000
  1 1 1      21    6   18 o    1.240000      0.3483000       1.362000 0.5109000       1.118000      0.4736000      0.2443000      0.6966000
  1 1 1      21    6   19 o    8.419000      0.1488000       8.394000 0.2112000       8.445000      0.2098000     -0.5162000E-01  0.2977000
  1 1 1      21    6   20 o    2.231000      0.2451000       2.366000 0.3397000       2.095000      0.3534000      0.2715000      0.4902000
  1 1 1      21    6   21 o    11.04000      0.1966000       11.27000 0.3245000       10.81000      0.2220000      0.4587000      0.3932000
  1 1 1      21    7    0 o    2.275000      0.4549000       1.533000 0.6572000       3.017000      0.6293000      -1.484000      0.9099000
  1 1 1      21    7    1 f    5.497000      0.2670000       5.877000 0.3612000       5.118000      0.3933000      0.7594000      0.5340000
  1 1 1      21    7    2 o    4.493000      0.2988000       4.314000 0.4287000       4.672000      0.4163000     -0.3578000      0.5975000
  1 1 1      21    7    3 o    4.130000      0.3201000       4.008000 0.4604000       4.251000      0.4449000     -0.2431000      0.6402000
  1 1 1      21    7    4 o    9.069000      0.2099000       9.158000 0.2992000       8.981000      0.2944000      0.1765000      0.4198000
  1 1 1      21    7    5 o    1.339000      0.4216000       1.216000 0.5599000       1.463000      0.6306000     -0.2476000      0.8433000
  1 1 1      21    7    6 o    13.73000      0.2315000       13.71000 0.3260000       13.74000      0.3289000     -0.2620000E-01  0.4630000
  1 1 1      21    7    7 o    4.961000      0.2669000       4.613000 0.3857000       5.308000      0.3691000     -0.6949000      0.5338000
  1 1 1      21    7    8 o    12.51000      0.2190000       12.26000 0.3071000       12.76000      0.3124000     -0.5022000      0.4381000
  1 1 1      21    7    9 o    3.825000      0.3189000       4.124000 0.4094000       3.527000      0.4891000      0.5972000      0.6378000
  1 1 1      21    7   10 o    6.045000      0.3179000       6.294000 0.4504000       5.796000      0.4487000      0.4986000      0.6358000
  1 1 1      21    7   11 o    6.582000      0.3011000       6.939000 0.4307000       6.226000      0.4209000      0.7126000      0.6022000
  1 1 1      21    7   12 o    12.72000      0.2120000       12.86000 0.3026000       12.58000      0.2970000      0.2794000      0.4240000
  1 1 1      21    7   13 o    5.738000      0.2855000       6.081000 0.3783000       5.396000      0.4278000      0.6848000      0.5711000
  1 1 1      21    7   14 o    13.30000      0.2996000       12.98000 0.4108000       13.62000      0.4363000     -0.6421000      0.5993000
  1 1 1      21    7   15 o    3.073000      0.2989000       3.223000 0.4097000       2.923000      0.4353000      0.2998000      0.5978000
  1 1 1      21    7   16 o    5.158000      0.1891000       5.188000 0.2725000       5.127000      0.2622000      0.6123000E-01  0.3781000
  1 1 1      21    7   17 f    7.819000      0.1630000       7.936000 0.2353000       7.702000      0.2257000      0.2341000      0.3261000
  1 1 1      21    7   18 o    7.549000      0.1554000       7.550000 0.2229000       7.547000      0.2166000      0.3072000E-02  0.3108000
  1 1 1      21    7   19 o    10.78000      0.1691000       11.08000 0.2442000       10.48000      0.2339000      0.5961000      0.3381000
  1 1 1      21    7   20 o    3.499000      0.1710000       3.581000 0.2504000       3.416000      0.2330000      0.1648000      0.3421000
  1 1 1      21    7   21 o    5.702000      0.1596000       5.927000 0.2725000       5.478000      0.1664000      0.4489000      0.3193000
  1 1 1      21    8    0 o    8.815000      0.2302000       8.726000 0.3314000       8.904000      0.3195000     -0.1771000      0.4603000
  1 1 1      21    8    1 f    7.709000      0.2281000       7.808000 0.3232000       7.610000      0.3221000      0.1975000      0.4563000
  1 1 1      21    8    2 o    8.505000      0.2195000       8.340000 0.3143000       8.669000      0.3064000     -0.3288000      0.4390000
  1 1 1      21    8    3 o    7.729000      0.2217000       7.863000 0.3125000       7.596000      0.3145000      0.2666000      0.4433000
  1 1 1      21    8    4 o    15.93000      0.2538000       15.86000 0.3596000       16.00000      0.3581000     -0.1371000      0.5075000
  1 1 1      21    8    5 o    7.535000      0.2215000       7.662000 0.3126000       7.408000      0.3139000      0.2544000      0.4430000
  1 1 1      21    8    6 o    3.854000      0.3308000       3.755000 0.4838000       3.952000      0.4511000     -0.1973000      0.6615000
  1 1 1      21    8    7 o    19.56000      0.2895000       19.60000 0.4094000       19.51000      0.4094000      0.8618000E-01  0.5789000
  1 1 1      21    8    8 o    7.849000      0.2108000       7.579000 0.3023000       8.119000      0.2938000     -0.5395000      0.4216000
  1 1 1      21    8    9 o    4.220000      0.2787000       4.024000 0.4120000       4.417000      0.3755000     -0.3925000      0.5575000
  1 1 1      21    8   10 o    6.467000      0.2995000       6.465000 0.4446000       6.468000      0.4015000     -0.2821000E-02  0.5990000
  1 1 1      21    8   11 o    8.003000      0.2771000       7.795000 0.4066000       8.212000      0.3765000     -0.4175000      0.5541000
  1 1 1      21    8   12 o    15.26000      0.2349000       15.01000 0.3288000       15.52000      0.3354000     -0.5008000      0.4697000
  1 1 1      21    8   13 o    9.535000      0.1845000       9.755000 0.2665000       9.315000      0.2553000      0.4401000      0.3691000
  1 1 1      21    8   14 o    12.24000      0.2873000       11.95000 0.3932000       12.53000      0.4192000     -0.5791000      0.5747000
  1 1 1      21    8   15 o    9.850000      0.1803000       9.795000 0.2554000       9.905000      0.2546000     -0.1103000      0.3607000
  1 1 1      21    8   16 o    5.686000      0.1808000       5.707000 0.2609000       5.665000      0.2503000      0.4108000E-01  0.3616000
  1 1 1      21    8   17 o    9.777000      0.1717000       9.786000 0.2450000       9.768000      0.2406000      0.1846000E-01  0.3434000
  1 1 1      21    8   18 o    3.545000      0.2182000       3.341000 0.3360000       3.748000      0.2784000     -0.4075000      0.4363000
  1 1 1      21    8   19 o    4.521000      0.1630000       4.687000 0.2355000       4.356000      0.2254000      0.3307000      0.3260000
  1 1 1      21    8   20 o    4.480000      0.2174000       4.192000 0.3889000       4.768000      0.1945000     -0.5760000      0.4348000
  1 1 1      21    8   21 f    4.637000      0.1349000       4.632000 0.1896000       4.641000      0.1920000     -0.9286000E-02  0.2698000
  1 1 1      21    8   22 o    5.986000      0.1595000       6.067000 0.1906000       5.904000      0.2558000      0.1634000      0.3190000
  1 1 1      21    8   23 o    8.446000      0.2875000       8.446000 0.2875000                  ?              ?              ?              ?
  1 1 1      21    9    0 o    2.005000      0.7209000                  ?       ?   2.005000      0.7209000                  ?              ?
  1 1 1      21    9    1 o    11.13000      0.2266000       11.03000 0.3209000       11.24000      0.3200000     -0.2149000      0.4532000
  1 1 1      21    9    2 o    9.539000      0.2192000       9.300000 0.3136000       9.778000      0.3062000     -0.4774000      0.4383000
  1 1 1      21    9    3 o    7.131000      0.2288000       7.356000 0.3181000       6.906000      0.3289000      0.4502000      0.4576000
  1 1 1      21    9    4 o    12.01000      0.2211000       12.06000 0.3137000       11.96000      0.3116000      0.1037000      0.4422000
  1 1 1      21    9    5 o    10.57000      0.2135000       10.94000 0.3059000       10.20000      0.2979000      0.7391000      0.4270000
  1 1 1      21    9    6 o    11.30000      0.2150000       11.23000 0.3035000       11.37000      0.3045000     -0.1416000      0.4299000
  1 1 1      21    9    7 o    18.25000      0.2744000       18.19000 0.3873000       18.31000      0.3887000     -0.1204000      0.5488000
  1 1 1      21    9    8 f    2.172000      0.4776000       2.069000 0.6836000       2.274000      0.6672000     -0.2043000      0.9552000
  1 1 1      21    9    9 o    10.20000      0.2052000       10.18000 0.2918000       10.22000      0.2886000     -0.3755000E-01  0.4104000
  1 1 1      21    9   10 o    5.342000      0.2359000       5.567000 0.3242000       5.118000      0.3429000      0.4491000      0.4719000
  1 1 1      21    9   11 o    5.197000      0.3519000       5.201000 0.5318000       5.194000      0.4610000      0.6694000E-02  0.7038000
  1 1 1      21    9   12 o    6.978000      0.1989000       6.849000 0.2874000       7.107000      0.2751000     -0.2586000      0.3978000
  1 1 1      21    9   13 o    15.78000      0.2390000       15.91000 0.3412000       15.65000      0.3347000      0.2604000      0.4779000
  1 1 1      21    9   14 o    10.76000      0.2762000       11.03000 0.3827000       10.50000      0.3983000      0.5301000      0.5524000
  1 1 1      21    9   15 o    5.688000      0.2908000       5.813000 0.3887000       5.564000      0.4327000      0.2493000      0.5817000
  1 1 1      21    9   16 o    6.985000      0.1740000       7.006000 0.2484000       6.963000      0.2437000      0.4249000E-01  0.3480000
  1 1 1      21    9   17 o    1.479000      0.3805000       1.481000 0.5549000       1.477000      0.5206000      0.4070000E-02  0.7609000
  1 1 1      21    9   18 o    5.165000      0.1658000       5.129000 0.2420000       5.201000      0.2267000     -0.7264000E-01  0.3316000
  1 1 1      21    9   19 o    2.190000      0.3067000       2.213000 0.4432000       2.167000      0.4239000      0.4616000E-01  0.6133000
  1 1 1      21    9   20 o    6.466000      0.1523000       6.303000 0.1961000       6.629000      0.2330000     -0.3265000      0.3045000
  1 1 1      21    9   21 o    8.838000      0.1497000       9.089000 0.2087000       8.587000      0.2147000      0.5026000      0.2994000
  1 1 1      21    9   22 o    11.89000      0.2306000       12.25000 0.2637000       11.53000      0.3784000      0.7255000      0.4612000
  1 1 1      21    9   23 o    12.02000      0.2334000       12.06000 0.2763000       11.97000      0.3762000      0.9492000E-01  0.4668000
  1 1 1      21    9   24 o    2.565000      0.2979000       2.379000 0.4243000       2.751000      0.4184000     -0.3723000      0.5959000
  1 1 1      21    9   25 o    5.265000      0.2743000       5.265000 0.2743000                  ?              ?              ?              ?
  1 1 1      21   10    0 o    7.838000      0.3403000                  ?       ?   7.838000      0.3403000                  ?              ?
  1 1 1      21   10    1 o    11.95000      0.2296000       11.77000 0.3251000       12.13000      0.3243000     -0.3561000      0.4592000
  1 1 1      21   10    2 o    12.99000      0.2331000       13.16000 0.3342000       12.82000      0.3251000      0.3326000      0.4662000
  1 1 1      21   10    3 o    2.273000      0.4782000       2.189000 0.6965000       2.357000      0.6554000     -0.1679000      0.9564000
  1 1 1      21   10    4 o    7.004000      0.2223000       6.897000 0.3164000       7.111000      0.3124000     -0.2141000      0.4446000
  1 1 1      21   10    5 o    11.25000      0.2162000       11.24000 0.3074000       11.27000      0.3041000     -0.2866000E-01  0.4324000
  1 1 1      21   10    6 o    7.885000      0.2179000       8.033000 0.3061000       7.737000      0.3103000      0.2953000      0.4359000
  1 1 1      21   10    7 o    5.258000      0.2545000       5.256000 0.3635000       5.259000      0.3563000     -0.2370000E-02  0.5090000
  1 1 1      21   10    8 o    7.736000      0.2127000       7.605000 0.2990000       7.867000      0.3027000     -0.2620000      0.4254000
  1 1 1      21   10    9 o    4.478000      0.2854000       4.371000 0.4152000       4.585000      0.3916000     -0.2141000      0.5708000
  1 1 1      21   10   10 o    7.359000      0.2068000       7.444000 0.2930000       7.275000      0.2918000      0.1682000      0.4135000
  1 1 1      21   10   11 o    3.261000      0.4781000       3.394000 0.7465000       3.127000      0.5977000      0.2662000      0.9563000
  1 1 1      21   10   12 o    9.482000      0.2682000       9.300000 0.3929000       9.664000      0.3650000     -0.3644000      0.5363000
  1 1 1      21   10   13 o    13.54000      0.2178000       13.63000 0.3107000       13.45000      0.3054000      0.1790000      0.4357000
  1 1 1      21   10   14 o    9.736000      0.1873000       9.700000 0.2675000       9.771000      0.2622000     -0.7032000E-01  0.3746000
  1 1 1      21   10   15 o    4.393000      0.3653000       3.981000 0.5195000       4.804000      0.5137000     -0.8225000      0.7306000
  1 1 1      21   10   16 o    7.685000      0.2663000       7.971000 0.3564000       7.399000      0.3958000      0.5725000      0.5326000
  1 1 1      21   10   17 o    9.842000      0.1722000       9.817000 0.2427000       9.867000      0.2442000     -0.4959000E-01  0.3443000
  1 1 1      21   10   18 o    4.771000      0.1784000       5.032000 0.2563000       4.509000      0.2482000      0.5233000      0.3568000
  1 1 1      21   10   19 f    7.434000      0.1510000       7.558000 0.2138000       7.311000      0.2132000      0.2469000      0.3020000
  1 1 1      21   10   20 o    7.435000      0.1465000       7.459000 0.2020000       7.412000      0.2121000      0.4771000E-01  0.2929000
  1 1 1      21   10   21 o    4.773000      0.1819000       4.838000 0.2290000       4.708000      0.2828000      0.1294000      0.3639000
  1 1 1      21   10   22 f    8.506000      0.2183000       8.552000 0.2416000       8.460000      0.3637000      0.9272000E-01  0.4366000
  1 1 1      21   10   23 o    8.882000      0.3046000       8.334000 0.4823000       9.431000      0.3723000      -1.097000      0.6092000
  1 1 1      21   10   24 o    8.527000      0.1765000       8.598000 0.2331000       8.457000      0.2652000      0.1406000      0.3530000
  1 1 1      21   10   25 o    3.824000      0.2024000       3.887000 0.2788000       3.761000      0.2934000      0.1260000      0.4047000
  1 1 1      21   10   26 f    4.156000      0.1861000       4.015000 0.2665000       4.297000      0.2598000     -0.2820000      0.3722000
  1 1 1      21   10   27 o    1.700000      0.3731000       1.866000 0.5012000       1.534000      0.5529000      0.3323000      0.7462000
  1 1 1      21   10   28 o    1.661000      0.3786000       1.680000 0.5333000       1.643000      0.5374000      0.3766000E-01  0.7572000
  1 1 1      21   10   29 o    2.013000      0.3721000       2.118000 0.4658000       1.907000      0.5803000      0.2109000      0.7441000
  1 1 1      21   11    0 o    3.778000      0.3651000       3.502000 0.5252000       4.055000      0.5072000     -0.5530000      0.7302000
  1 1 1      21   11    1 o    1.735000      0.4877000       1.727000 0.6867000       1.742000      0.6927000     -0.1478000E-01  0.9754000
  1 1 1      21   11    2 o    10.12000      0.2234000       10.27000 0.3212000       9.972000      0.3105000      0.2944000      0.4468000
  1 1 1      21   11    3 o    13.06000      0.2319000       13.16000 0.3307000       12.95000      0.3252000      0.2105000      0.4638000
  1 1 1      21   11    4 o    5.089000      0.2706000       4.859000 0.3911000       5.318000      0.3740000     -0.4590000      0.5412000
  1 1 1      21   11    5 o    4.428000      0.3123000       3.816000 0.4974000       5.039000      0.3779000      -1.223000      0.6246000
  1 1 1      21   11    6 f    6.675000      0.2352000       6.667000 0.3385000       6.683000      0.3266000     -0.1579000E-01  0.4703000
  1 1 1      21   11    7 o    7.145000      0.2197000       7.127000 0.3148000       7.163000      0.3065000     -0.3533000E-01  0.4394000
  1 1 1      21   11    8 o    12.78000      0.2221000       12.64000 0.3115000       12.93000      0.3167000     -0.2908000      0.4443000
  1 1 1      21   11    9 o    5.140000      0.2545000       4.871000 0.3718000       5.410000      0.3476000     -0.5382000      0.5089000
  1 1 1      21   11   10 o    5.349000      0.2407000       5.104000 0.3513000       5.594000      0.3292000     -0.4896000      0.4814000
  1 1 1      21   11   11 o    8.659000      0.2028000       8.731000 0.2943000       8.586000      0.2790000      0.1447000      0.4055000
  1 1 1      21   11   12 o    8.436000      0.2653000       7.965000 0.3911000       8.906000      0.3586000     -0.9409000      0.5306000
  1 1 1      21   11   13 o    3.481000      0.4285000       3.170000 0.7135000       3.791000      0.4746000     -0.6215000      0.8569000
  1 1 1      21   11   14 o    3.084000      0.3440000       2.643000 0.5763000       3.526000      0.3759000     -0.8831000      0.6880000
  1 1 1      21   11   15 o    13.30000      0.2111000       13.07000 0.2939000       13.53000      0.3030000     -0.4559000      0.4221000
  1 1 1      21   11   16 o    5.490000      0.3074000       5.627000 0.3960000       5.353000      0.4702000      0.2736000      0.6147000
  1 1 1      21   11   17 o    10.76000      0.2782000       10.39000 0.3674000       11.12000      0.4178000     -0.7326000      0.5564000
  1 1 1      21   11   18 o    4.156000      0.1865000       4.036000 0.2858000       4.276000      0.2397000     -0.2400000      0.3730000
  1 1 1      21   11   19 o    5.197000      0.1555000       5.325000 0.2146000       5.069000      0.2252000      0.2569000      0.3111000
  1 1 1      21   11   20 o    7.175000      0.1512000       7.480000 0.2071000       6.871000      0.2204000      0.6083000      0.3024000
  1 1 1      21   11   21 o    5.398000      0.1845000       5.551000 0.2275000       5.246000      0.2906000      0.3049000      0.3690000
  1 1 1      21   11   22 o    7.207000      0.2531000       6.834000 0.3359000       7.581000      0.3786000     -0.7471000      0.5061000
  1 1 1      21   11   23 o    5.780000      0.2680000       6.228000 0.3002000       5.333000      0.4440000      0.8946000      0.5360000
  1 1 1      21   11   24 o    2.759000      0.4538000       3.563000 0.3835000       1.956000      0.8226000       1.607000      0.9076000
  1 1 1      21   11   25 o    5.576000      0.1907000       5.618000 0.2427000       5.533000      0.2943000      0.8500000E-01  0.3815000
  1 1 1      21   11   26 o    7.422000      0.1573000       7.445000 0.2155000       7.399000      0.2293000      0.4593000E-01  0.3146000
  1 1 1      21   11   27 o    2.210000      0.4878000       2.210000 0.4878000                  ?              ?              ?              ?
  1 1 1      21   11   28 o    3.606000      0.2281000       3.508000 0.3182000       3.704000      0.3269000     -0.1961000      0.4562000
  1 1 1      21   11   29 o    1.036000      0.3334000      0.8795000 0.4254000       1.192000      0.5135000     -0.3128000      0.6668000
  1 1 1      21   11   30 o    2.107000      0.3723000       2.304000 0.4922000       1.910000      0.5588000      0.3941000      0.7447000
  1 1 1      21   11   31 f    1.098000      0.3452000       1.076000 0.4796000       1.120000      0.4965000     -0.4385000E-01  0.6903000
  1 1 1      21   12    0 o    8.261000      0.2372000       8.234000 0.3404000       8.287000      0.3305000     -0.5260000E-01  0.4744000
  1 1 1      21   12    1 o    3.980000      0.3674000       4.248000 0.4770000       3.713000      0.5588000      0.5356000      0.7347000
  1 1 1      21   12    2 o    6.005000      0.2601000       5.763000 0.3814000       6.247000      0.3537000     -0.4841000      0.5201000
  1 1 1      21   12    3 o    5.577000      0.2628000       5.531000 0.3709000       5.623000      0.3723000     -0.9205000E-01  0.5255000
  1 1 1      21   12    4 o    6.495000      0.2431000       6.390000 0.3522000       6.599000      0.3352000     -0.2092000      0.4862000
  1 1 1      21   12    5 o    6.059000      0.2517000       6.012000 0.3613000       6.107000      0.3504000     -0.9502000E-01  0.5033000
  1 1 1      21   12    6 o    12.97000      0.2285000       12.96000 0.3258000       12.98000      0.3205000     -0.2170000E-01  0.4570000
  1 1 1      21   12    7 o    7.677000      0.2163000       7.503000 0.3114000       7.852000      0.3004000     -0.3492000      0.4327000
  1 1 1      21   12    8 o    3.246000      0.3783000       3.340000 0.5112000       3.152000      0.5577000      0.1881000      0.7566000
  1 1 1      21   12    9 o    9.691000      0.2052000       9.573000 0.2878000       9.808000      0.2925000     -0.2343000      0.4103000
  1 1 1      21   12   10 o    4.085000      0.3078000       3.870000 0.4788000       4.299000      0.3870000     -0.4290000      0.6156000
  1 1 1      21   12   11 o    7.377000      0.2053000       7.558000 0.2989000       7.196000      0.2816000      0.3628000      0.4107000
  1 1 1      21   12   12 o    13.35000      0.2202000       13.24000 0.3104000       13.47000      0.3125000     -0.2329000      0.4404000
  1 1 1      21   12   13 o    6.374000      0.2629000       6.512000 0.4076000       6.235000      0.3321000      0.2765000      0.5258000
  1 1 1      21   12   14 o    9.820000      0.2510000       10.25000 0.3816000       9.386000      0.3263000      0.8687000      0.5021000
  1 1 1      21   12   15 o    15.26000      0.3163000       15.32000 0.4542000       15.20000      0.4404000      0.1241000      0.6326000
  1 1 1      21   12   16 o    3.767000      0.2426000       3.400000 0.3866000       4.133000      0.2932000     -0.7329000      0.4853000
  1 1 1      21   12   17 o    3.328000      0.2455000       3.283000 0.3860000       3.373000      0.3035000     -0.9043000E-01  0.4910000
  1 1 1      21   12   18 o    2.323000      0.5031000       1.689000 0.6698000       2.956000      0.7509000      -1.268000       1.006000
  1 1 1      21   12   19 o    5.467000      0.2999000       5.196000 0.3987000       5.738000      0.4481000     -0.5413000      0.5998000
  1 1 1      21   12   20 o    7.294000      0.1875000       7.153000 0.2475000       7.435000      0.2818000     -0.2819000      0.3751000
  1 1 1      21   12   21 o    6.715000      0.1948000       6.586000 0.2368000       6.843000      0.3093000     -0.2569000      0.3896000
  1 1 1      21   12   22 o    5.850000      0.2660000       5.338000 0.3109000       6.363000      0.4318000      -1.026000      0.5321000
  1 1 1      21   12   23 o    3.632000      0.3428000       3.152000 0.4708000       4.111000      0.4984000     -0.9600000      0.6856000
  1 1 1      21   12   24 o    2.965000      0.3791000       2.185000 0.5749000       3.745000      0.4943000      -1.560000      0.7582000
  1 1 1      21   12   25 o    6.136000      0.1993000       6.380000 0.2442000       5.892000      0.3150000      0.4880000      0.3985000
  1 1 1      21   12   26 o    3.066000      0.3027000       3.382000 0.3479000       2.750000      0.4955000      0.6321000      0.6054000
  1 1 1      21   12   27 o    2.700000      0.4432000       2.700000 0.4432000                  ?              ?              ?              ?
  1 1 1      21   12   28 o    4.793000      0.2049000       5.121000 0.2616000       4.466000      0.3155000      0.6556000      0.4099000
  1 1 1      21   12   29 o    2.957000      0.4304000                  ?       ?   2.957000      0.4304000                  ?              ?
  1 1 1      21   12   30 o    1.202000      0.3723000       1.114000 0.5071000       1.289000      0.5453000     -0.1753000      0.7446000
  1 1 1      21   12   31 o    3.326000      0.2887000       3.103000 0.4281000       3.550000      0.3874000     -0.4477000      0.5773000
  1 1 1      21   13    0 o    7.858000      0.2413000       8.059000 0.3462000       7.658000      0.3361000      0.4001000      0.4825000
  1 1 1      21   13    1 o    5.805000      0.2857000       5.589000 0.4311000       6.021000      0.3752000     -0.4315000      0.5714000
  1 1 1      21   13    2 o    10.87000      0.2289000       10.79000 0.3277000       10.95000      0.3197000     -0.1561000      0.4578000
  1 1 1      21   13    3 o    10.34000      0.2197000       10.10000 0.3104000       10.59000      0.3109000     -0.4925000      0.4393000
  1 1 1      21   13    4 o    6.987000      0.2378000       7.551000 0.3291000       6.424000      0.3433000       1.127000      0.4756000
  1 1 1      21   13    5 o    2.095000      0.4877000       2.274000 0.7006000       1.917000      0.6788000      0.3566000      0.9755000
  1 1 1      21   13    6 o    8.752000      0.2198000       8.495000 0.3129000       9.010000      0.3088000     -0.5148000      0.4396000
  1 1 1      21   13    7 o    9.374000      0.2135000       9.484000 0.3053000       9.264000      0.2984000      0.2198000      0.4270000
  1 1 1      21   13    8 o    4.521000      0.2896000       4.389000 0.4258000       4.653000      0.3926000     -0.2637000      0.5792000
  1 1 1      21   13    9 o    13.29000      0.2263000       13.07000 0.3199000       13.50000      0.3201000     -0.4329000      0.4526000
  1 1 1      21   13   10 o    5.905000      0.2312000       5.808000 0.3412000       6.002000      0.3122000     -0.1937000      0.4624000
  1 1 1      21   13   11 o    6.347000      0.2199000       6.252000 0.3273000       6.442000      0.2939000     -0.1900000      0.4399000
  1 1 1      21   13   12 o    10.96000      0.2034000       11.10000 0.2941000       10.82000      0.2812000      0.2791000      0.4069000
  1 1 1      21   13   13 o    10.95000      0.2667000       10.44000 0.2860000       11.46000      0.4503000      -1.016000      0.5335000
  1 1 1      21   13   14 o    5.659000      0.2132000       5.447000 0.3210000       5.871000      0.2807000     -0.4242000      0.4264000
  1 1 1      21   13   15 o    5.707000      0.2408000       6.045000 0.3592000       5.370000      0.3208000      0.6749000      0.4816000
  1 1 1      21   13   16 o    9.336000      0.2292000       9.232000 0.3341000       9.440000      0.3137000     -0.2085000      0.4583000
  1 1 1      21   13   17 o    1.741000      0.4193000       2.125000 0.6426000       1.356000      0.5389000      0.7695000      0.8387000
  1 1 1      21   13   18 o    3.126000      0.2432000       3.509000 0.3241000       2.742000      0.3626000      0.7669000      0.4863000
  1 1 1      21   13   19 o    6.085000      0.1570000       5.986000 0.2160000       6.184000      0.2280000     -0.1975000      0.3140000
  1 1 1      21   13   20 o    6.539000      0.1803000       6.573000 0.2269000       6.505000      0.2802000      0.6824000E-01  0.3605000
  1 1 1      21   13   21 o    3.137000      0.4677000       2.628000 0.6298000       3.647000      0.6915000      -1.019000      0.9354000
  1 1 1      21   13   22 o    6.062000      0.2801000       5.755000 0.3498000       6.369000      0.4377000     -0.6138000      0.5603000
  1 1 1      21   13   23 o    2.008000      0.5022000       1.493000 0.6147000       2.524000      0.7942000      -1.031000       1.004000
  1 1 1      21   13   24 o    4.903000      0.3136000       5.055000 0.3567000       4.751000      0.5159000      0.3038000      0.6272000
  1 1 1      21   13   25 o    7.042000      0.2419000       6.718000 0.3063000       7.366000      0.3744000     -0.6478000      0.4838000
  1 1 1      21   13   26 o    1.390000      0.4035000       1.248000 0.5342000       1.532000      0.6049000     -0.2836000      0.8070000
  1 1 1      21   13   27 o    2.850000      0.3113000       3.058000 0.4216000       2.643000      0.4581000      0.4141000      0.6225000
  1 1 1      21   13   28 o    2.669000      0.3670000       2.894000 0.4448000       2.444000      0.5838000      0.4498000      0.7340000
  1 1 1      21   13   29 o    2.897000      0.5288000                  ?       ?   2.897000      0.5288000                  ?              ?
  1 1 1      21   13   30 o    2.263000      0.4309000       2.170000 0.6146000       2.355000      0.6040000     -0.1856000      0.8617000
  1 1 1      21   13   31 o    1.279000      0.4005000       1.139000 0.5266000       1.420000      0.6035000     -0.2817000      0.8010000
  1 1 1      21   14    0 o    6.720000      0.3709000       6.810000 0.5183000       6.631000      0.5308000      0.1788000      0.7419000
  1 1 1      21   14    1 o    3.142000      0.6300000                  ?       ?   3.142000      0.6300000                  ?              ?
  1 1 1      21   14    2 o    13.25000      0.2374000       13.34000 0.3396000       13.15000      0.3318000      0.1862000      0.4748000
  1 1 1      21   14    3 o    8.427000      0.2289000       8.266000 0.3328000       8.588000      0.3145000     -0.3218000      0.4578000
  1 1 1      21   14    4 o    4.627000      0.3142000       4.303000 0.4749000       4.951000      0.4115000     -0.6485000      0.6284000
  1 1 1      21   14    5 o    2.017000      0.4802000       1.534000 0.6604000       2.500000      0.6974000     -0.9664000      0.9604000
  1 1 1      21   14    6 o    3.060000      0.4315000       2.778000 0.6820000       3.343000      0.5286000     -0.5646000      0.8629000
  1 1 1      21   14    7 o    10.73000      0.2159000       10.71000 0.3066000       10.75000      0.3041000     -0.3918000E-01  0.4318000
  1 1 1      21   14    8 o    1.929000      0.4679000       2.416000 0.7049000       1.442000      0.6155000      0.9747000      0.9358000
  1 1 1      21   14    9 o    11.94000      0.2180000       11.85000 0.3122000       12.03000      0.3042000     -0.1748000      0.4359000
  1 1 1      21   14   10 o    4.477000      0.2859000       4.310000 0.4362000       4.644000      0.3698000     -0.3338000      0.5719000
  1 1 1      21   14   11 o    8.427000      0.1998000       8.425000 0.2891000       8.430000      0.2758000     -0.4891000E-02  0.3996000
  1 1 1      21   14   12 o    8.576000      0.1979000       8.431000 0.2861000       8.721000      0.2735000     -0.2906000      0.3958000
  1 1 1      21   14   13 o    16.17000      0.2448000       16.06000 0.3446000       16.27000      0.3480000     -0.2114000      0.4897000
  1 1 1      21   14   14 o    13.31000      0.2138000       13.50000 0.3032000       13.13000      0.3014000      0.3707000      0.4275000
  1 1 1      21   14   15 o    9.270000      0.1838000       9.292000 0.2630000       9.248000      0.2568000      0.4435000E-01  0.3676000
  1 1 1      21   14   16 o    13.28000      0.2075000       13.40000 0.2944000       13.16000      0.2925000      0.2405000      0.4150000
  1 1 1      21   14   17 o    4.632000      0.1988000       4.720000 0.2867000       4.543000      0.2755000      0.1775000      0.3976000
  1 1 1      21   14   18 o    9.587000      0.2204000       9.664000 0.3148000       9.510000      0.3086000      0.1542000      0.4408000
  1 1 1      21   14   19 o    1.995000      0.4204000       2.084000 0.5921000       1.907000      0.5970000      0.1765000      0.8408000
  1 1 1      21   14   20 o    4.525000      0.3393000       5.077000 0.3816000       3.973000      0.5613000       1.104000      0.6787000
  1 1 1      21   14   21 o    3.005000      0.4309000       2.543000 0.5676000       3.467000      0.6484000     -0.9241000      0.8617000
  1 1 1      21   14   22 o    2.877000      0.5718000       2.294000 0.9484000       3.460000      0.6391000      -1.166000       1.144000
  1 1 1      21   14   23 o    8.046000      0.2465000       7.728000 0.3028000       8.364000      0.3891000     -0.6365000      0.4930000
  1 1 1      21   14   24 o    4.755000      0.4693000       4.225000 0.8496000       5.285000      0.3988000      -1.061000      0.9385000
  1 1 1      21   14   25 o    2.742000      0.4326000       2.812000 0.5319000       2.672000      0.6823000      0.1401000      0.8651000
  1 1 1      21   14   26 o    2.011000      0.4528000       1.989000 0.6057000       2.034000      0.6732000     -0.4512000E-01  0.9056000
  1 1 1      21   14   27 o    2.211000      0.4359000       2.096000 0.5964000       2.326000      0.6359000     -0.2301000      0.8718000
  1 1 1      21   14   28 o    1.856000      0.4414000       1.428000 0.5934000       2.284000      0.6536000     -0.8565000      0.8828000
  1 1 1      21   14   29 o    1.993000      0.4169000       1.296000 0.5815000       2.689000      0.5975000      -1.392000      0.8338000
  1 1 1      21   14   30 o    1.864000      0.4571000       1.803000 0.6424000       1.926000      0.6504000     -0.1229000      0.9142000
  1 1 1      21   14   31 o    2.050000      0.4705000       2.164000 0.6621000       1.937000      0.6687000      0.2271000      0.9410000
  1 1 1      21   15    0 o    5.394000      0.4399000       5.156000 0.6456000       5.631000      0.5976000     -0.4755000      0.8797000
  1 1 1      21   15    1 o    8.155000      0.4795000                  ?       ?   8.155000      0.4795000                  ?              ?
  1 1 1      21   15    2 o    9.644000      0.2344000       9.557000 0.3461000       9.730000      0.3161000     -0.1725000      0.4688000
  1 1 1      21   15    3 o    11.37000      0.2325000       11.03000 0.3323000       11.71000      0.3253000     -0.6828000      0.4650000
  1 1 1      21   15    4 o    6.984000      0.2414000       6.678000 0.3608000       7.291000      0.3209000     -0.6128000      0.4828000
  1 1 1      21   15    5 o    10.21000      0.2189000       10.04000 0.3106000       10.38000      0.3086000     -0.3390000      0.4378000
  1 1 1      21   15    6 o    7.934000      0.2233000       7.634000 0.3229000       8.234000      0.3085000     -0.5994000      0.4466000
  1 1 1      21   15    7 o    3.475000      0.3996000       3.325000 0.6345000       3.625000      0.4859000     -0.2999000      0.7992000
  1 1 1      21   15    8 o    8.377000      0.2153000       8.747000 0.3129000       8.008000      0.2957000      0.7388000      0.4306000
  1 1 1      21   15    9 o    9.428000      0.2048000       9.618000 0.2974000       9.238000      0.2817000      0.3793000      0.4096000
  1 1 1      21   15   10 o    1.667000      0.4537000       1.514000 0.6465000       1.820000      0.6366000     -0.3055000      0.9073000
  1 1 1      21   15   11 o    8.632000      0.1999000       8.729000 0.2891000       8.535000      0.2762000      0.1944000      0.3999000
  1 1 1      21   15   12 o    8.360000      0.2002000       8.512000 0.2913000       8.208000      0.2746000      0.3039000      0.4003000
  1 1 1      21   15   13 o    5.981000      0.2058000       5.889000 0.2985000       6.073000      0.2835000     -0.1832000      0.4117000
  1 1 1      21   15   14 o    6.929000      0.1963000       6.771000 0.2871000       7.088000      0.2677000     -0.3165000      0.3926000
  1 1 1      21   15   15 f    9.781000      0.1850000       9.414000 0.2610000       10.15000      0.2621000     -0.7338000      0.3699000
  1 1 1      21   15   16 o    6.395000      0.1794000       6.281000 0.2584000       6.508000      0.2489000     -0.2280000      0.3588000
  1 1 1      21   15   17 o    2.910000      0.3017000       2.652000 0.4737000       3.169000      0.3738000     -0.5173000      0.6034000
  1 1 1      21   15   18 o    8.712000      0.1712000       8.758000 0.2374000       8.666000      0.2468000      0.9141000E-01  0.3425000
  1 1 1      21   15   19 o    1.731000      0.3883000      0.9567000 0.4575000       2.505000      0.6276000      -1.548000      0.7767000
  1 1 1      21   15   20 f    1.582000      0.3943000       2.096000 0.5936000       1.069000      0.5193000       1.027000      0.7886000
  1 1 1      21   15   21 o    2.564000      0.4780000       2.047000 0.6416000       3.080000      0.7087000      -1.033000      0.9560000
  1 1 1      21   15   22 o    3.308000      0.7533000       2.834000 1.025000       3.781000       1.104000     -0.9476000       1.507000
  1 1 1      21   15   23 o    2.804000      0.7500000       3.370000 1.106000       2.237000       1.014000       1.133000       1.500000
  1 1 1      21   15   24 o    2.445000      0.7093000       2.116000 0.9194000       2.773000       1.080000     -0.6572000       1.419000
  1 1 1      21   15   25 o    2.471000      0.6559000       2.703000 0.9319000       2.240000      0.9233000      0.4633000       1.312000
  1 1 1      21   15   26 o    3.325000      0.5689000       3.549000 0.7595000       3.102000      0.8473000      0.4471000       1.138000
  1 1 1      21   15   27 f    2.431000      0.5306000       3.036000 0.7572000       1.826000      0.7435000       1.210000       1.061000
  1 1 1      21   15   28 o    2.046000      0.5688000       2.272000 0.8562000       1.819000      0.7491000      0.4535000       1.138000
  1 1 1      21   15   29 o    2.998000      0.5760000       2.787000 0.8859000       3.210000      0.7365000     -0.4235000       1.152000
  1 1 1      21   15   30 o    2.987000      0.5664000       3.017000 0.8516000       2.957000      0.7469000      0.6052000E-01   1.133000
  1 1 1      21   15   31 o    1.391000      0.6693000       1.391000 0.6693000                  ?              ?              ?              ?
  1 1 1      21   16    0 o    1.896000      0.5145000       1.797000 0.7184000       1.995000      0.7367000     -0.1984000       1.029000
  1 1 1      21   16    1 o    9.698000      0.3557000       9.490000 0.4857000       9.906000      0.5197000     -0.4158000      0.7113000
  1 1 1      21   16    2 o    3.003000      0.6470000       2.521000 0.9031000       3.486000      0.9268000     -0.9654000       1.294000
  1 1 1      21   16    3 o    17.65000      0.2771000       17.60000 0.3939000       17.70000      0.3898000     -0.9670000E-01  0.5542000
  1 1 1      21   16    4 o    3.719000      0.3886000       3.677000 0.5686000       3.761000      0.5298000     -0.8409000E-01  0.7772000
  1 1 1      21   16    5 o    10.52000      0.2259000       10.48000 0.3226000       10.57000      0.3163000     -0.9484000E-01  0.4518000
  1 1 1      21   16    6 o    5.635000      0.2658000       5.610000 0.3932000       5.660000      0.3579000     -0.4990000E-01  0.5317000
  1 1 1      21   16    7 o    7.871000      0.2260000       7.927000 0.3282000       7.815000      0.3107000      0.1122000      0.4519000
  1 1 1      21   16    8 o    8.657000      0.2148000       8.402000 0.3175000       8.912000      0.2895000     -0.5099000      0.4297000
  1 1 1      21   16    9 o    8.180000      0.2125000       8.086000 0.3052000       8.274000      0.2958000     -0.1882000      0.4250000
  1 1 1      21   16   10 o    8.506000      0.2059000       8.678000 0.2959000       8.334000      0.2864000      0.3441000      0.4118000
  1 1 1      21   16   11 o    13.59000      0.2252000       13.58000 0.3178000       13.60000      0.3192000     -0.2785000E-01  0.4504000
  1 1 1      21   16   12 o    3.166000      0.3491000       3.337000 0.4939000       2.995000      0.4935000      0.3423000      0.6982000
  1 1 1      21   16   13 o    3.688000      0.2965000       4.256000 0.3901000       3.119000      0.4467000       1.137000      0.5931000
  1 1 1      21   16   14 o    14.93000      0.2297000       14.78000 0.3219000       15.08000      0.3278000     -0.3006000      0.4594000
  1 1 1      21   16   15 o    17.52000      0.2560000       17.58000 0.3620000       17.47000      0.3619000      0.1127000      0.5119000
  1 1 1      21   16   16 o    11.99000      0.1977000       11.84000 0.2760000       12.14000      0.2831000     -0.2974000      0.3953000
  1 1 1      21   16   17 o    2.735000      0.3413000       2.444000 0.5222000       3.025000      0.4398000     -0.5809000      0.6827000
  1 1 1      21   16   18 o    4.507000      0.2181000       4.689000 0.2831000       4.325000      0.3318000      0.3636000      0.4362000
  1 1 1      21   16   19 o    6.760000      0.2064000       6.693000 0.2590000       6.827000      0.3213000     -0.1336000      0.4127000
  1 1 1      21   16   20 o    10.13000      0.2130000       10.12000 0.2753000       10.14000      0.3250000     -0.2272000E-01  0.4259000
  1 1 1      21   16   21 o    6.127000      0.2870000       6.038000 0.3414000       6.216000      0.4616000     -0.1777000      0.5741000
  1 1 1      21   16   22 o    2.707000      0.4859000       2.955000 0.5869000       2.459000      0.7746000      0.4961000      0.9718000
  1 1 1      21   16   23 o    4.944000      0.3147000       4.507000 0.3846000       5.382000      0.4982000     -0.8744000      0.6294000
  1 1 1      21   16   24 o    3.409000      0.4250000       3.520000 0.5069000       3.298000      0.6822000      0.2218000      0.8499000
  1 1 1      21   16   25 o    2.678000      0.4404000       3.182000 0.4744000       2.174000      0.7422000       1.007000      0.8808000
  1 1 1      21   16   26 o    1.062000      0.3622000       1.050000 0.4998000       1.074000      0.5245000     -0.2344000E-01  0.7245000
  1 1 1      21   16   27 o    3.506000      0.3494000       3.437000 0.4741000       3.575000      0.5134000     -0.1374000      0.6988000
  1 1 1      21   16   28 o    1.916000      0.4792000       2.294000 0.6583000       1.538000      0.6966000      0.7558000      0.9584000
  1 1 1      21   16   29 o    5.209000      0.2537000       5.333000 0.3383000       5.084000      0.3782000      0.2493000      0.5074000
  1 1 1      21   16   30 o    4.063000      0.3427000       3.814000 0.5252000       4.313000      0.4404000     -0.4986000      0.6853000
  1 1 1      21   17    0 o    6.461000      0.2898000       5.880000 0.4496000       7.043000      0.3657000      -1.163000      0.5796000
  1 1 1      21   17    1 o    6.760000      0.2690000       6.712000 0.3888000       6.808000      0.3720000     -0.9580000E-01  0.5381000
  1 1 1      21   17    2 o    5.431000      0.5038000       5.781000 0.5892000       5.081000      0.8173000      0.7003000       1.008000
  1 1 1      21   17    3 o    5.063000      0.4767000       5.234000 0.5992000       4.891000      0.7415000      0.3422000      0.9533000
  1 1 1      21   17    4 o    5.523000      0.3013000       5.542000 0.4373000       5.504000      0.4147000      0.3743000E-01  0.6027000
  1 1 1      21   17    5 o    11.43000      0.2299000       11.32000 0.3291000       11.54000      0.3211000     -0.2128000      0.4598000
  1 1 1      21   17    6 o    3.141000      0.4514000       3.157000 0.6903000       3.126000      0.5818000      0.3040000E-01  0.9028000
  1 1 1      21   17    7 o    14.08000      0.2391000       14.20000 0.3433000       13.96000      0.3329000      0.2481000      0.4782000
  1 1 1      21   17    8 o    10.67000      0.2171000       10.83000 0.3109000       10.51000      0.3032000      0.3241000      0.4342000
  1 1 1      21   17    9 o    17.83000      0.2702000       17.96000 0.3849000       17.71000      0.3793000      0.2482000      0.5404000
  1 1 1      21   17   10 o    14.86000      0.2388000       14.81000 0.3386000       14.92000      0.3367000     -0.1124000      0.4775000
  1 1 1      21   17   11 o    3.600000      0.3231000       3.499000 0.5012000       3.700000      0.4079000     -0.2004000      0.6462000
  1 1 1      21   17   12 o    5.943000      0.2157000       6.280000 0.3075000       5.605000      0.3026000      0.6753000      0.4315000
  1 1 1      21   17   13 o    8.515000      0.1887000       8.585000 0.2700000       8.445000      0.2636000      0.1404000      0.3774000
  1 1 1      21   17   14 o    16.84000      0.2502000       16.59000 0.3487000       17.09000      0.3590000     -0.4976000      0.5005000
  1 1 1      21   17   15 o    13.74000      0.2152000       13.76000 0.3026000       13.72000      0.3061000      0.3608000E-01  0.4305000
  1 1 1      21   17   16 f    8.123000      0.1787000       7.988000 0.2518000       8.259000      0.2535000     -0.2711000      0.3573000
  1 1 1      21   17   17 o    5.317000      0.1956000       5.008000 0.2727000       5.626000      0.2807000     -0.6185000      0.3913000
  1 1 1      21   17   18 o    3.424000      0.3234000       3.126000 0.4484000       3.723000      0.4661000     -0.5974000      0.6468000
  1 1 1      21   17   19 o    6.366000      0.2165000       6.381000 0.2710000       6.350000      0.3377000      0.3127000E-01  0.4330000
  1 1 1      21   17   20 o    9.322000      0.2369000       9.527000 0.2859000       9.116000      0.3779000      0.4102000      0.4738000
  1 1 1      21   17   21 o    8.721000      0.2881000       8.729000 0.3750000       8.713000      0.4376000      0.1610000E-01  0.5763000
  1 1 1      21   17   22 o    1.580000      0.4699000       1.791000 0.6889000       1.370000      0.6391000      0.4209000      0.9397000
  1 1 1      21   17   23 o    5.722000      0.2877000       6.073000 0.3494000       5.372000      0.4571000      0.7011000      0.5754000
  1 1 1      21   17   24 o    2.712000      0.4979000       2.532000 0.6372000       2.891000      0.7653000     -0.3596000      0.9959000
  1 1 1      21   17   25 o    2.771000      0.4733000       2.616000 0.6598000       2.927000      0.6789000     -0.3110000      0.9467000
  1 1 1      21   17   26 o    2.896000      0.4304000       2.931000 0.5551000       2.862000      0.6578000      0.6962000E-01  0.8607000
  1 1 1      21   17   27 o    3.701000      0.3857000       3.952000 0.4661000       3.450000      0.6146000      0.5023000      0.7714000
  1 1 1      21   17   28 o    2.643000      0.6717000       2.643000 0.6717000                  ?              ?              ?              ?
  1 1 1      21   17   29 o    5.632000      0.2627000       5.596000 0.3603000       5.669000      0.3825000     -0.7326000E-01  0.5255000
  1 1 1      21   17   30 o    1.130000      0.5514000                  ?       ?   1.130000      0.5514000                  ?              ?
  1 1 1      21   18    0 o    8.206000      0.3176000       8.901000 0.4811000       7.511000      0.4146000       1.391000      0.6351000
  1 1 1      21   18    1 f    8.286000      0.2483000       7.836000 0.3616000       8.737000      0.3403000     -0.9004000      0.4966000
  1 1 1      21   18    2 o    7.772000      0.2853000       7.015000 0.4606000       8.530000      0.3369000      -1.515000      0.5707000
  1 1 1      21   18    3 o    10.42000      0.2371000       10.75000 0.3448000       10.09000      0.3255000      0.6636000      0.4742000
  1 1 1      21   18    4 o    4.018000      0.6263000       4.063000 0.8450000       3.973000      0.9246000      0.9078000E-01   1.253000
  1 1 1      21   18    5 o    6.689000      0.3980000       6.984000 0.5147000       6.394000      0.6072000      0.5901000      0.7960000
  1 1 1      21   18    6 o    9.225000      0.2247000       9.425000 0.3204000       9.025000      0.3152000      0.4004000      0.4495000
  1 1 1      21   18    7 o    10.35000      0.2190000       10.18000 0.3156000       10.52000      0.3038000     -0.3315000      0.4381000
  1 1 1      21   18    8 o    9.376000      0.2161000       9.405000 0.3160000       9.346000      0.2949000      0.5908000E-01  0.4322000
  1 1 1      21   18    9 o    15.70000      0.2499000       15.92000 0.3590000       15.48000      0.3477000      0.4411000      0.4998000
  1 1 1      21   18   10 o    4.699000      0.2710000       4.453000 0.4177000       4.945000      0.3455000     -0.4914000      0.5420000
  1 1 1      21   18   11 o    2.089000      0.4588000       2.367000 0.6551000       1.811000      0.6424000      0.5555000      0.9175000
  1 1 1      21   18   12 o    4.228000      0.2588000       4.434000 0.3715000       4.021000      0.3603000      0.4133000      0.5175000
  1 1 1      21   18   13 o    7.348000      0.1960000       7.656000 0.2770000       7.039000      0.2774000      0.6175000      0.3920000
  1 1 1      21   18   14 o    3.115000      0.3234000       3.541000 0.4139000       2.689000      0.4970000      0.8527000      0.6468000
  1 1 1      21   18   15 o    3.224000      0.3006000       3.444000 0.4103000       3.005000      0.4394000      0.4396000      0.6011000
  1 1 1      21   18   16 o    4.045000      0.2503000       4.108000 0.3370000       3.982000      0.3703000      0.1266000      0.5007000
  1 1 1      21   18   17 o    5.131000      0.2147000       5.302000 0.2753000       4.959000      0.3294000      0.3431000      0.4294000
  1 1 1      21   18   18 o    4.130000      0.2965000       4.171000 0.3705000       4.090000      0.4631000      0.8041000E-01  0.5931000
  1 1 1      21   18   19 o    2.193000      0.5112000       1.963000 0.6627000       2.422000      0.7786000     -0.4597000       1.022000
  1 1 1      21   18   20 o    8.480000      0.2484000       8.737000 0.3019000       8.223000      0.3946000      0.5141000      0.4968000
  1 1 1      21   18   21 o    6.504000      0.2870000       6.632000 0.3358000       6.377000      0.4654000      0.2546000      0.5739000
  1 1 1      21   18   22 f    1.705000      0.5099000       1.530000 0.6555000       1.880000      0.7812000     -0.3498000       1.020000
  1 1 1      21   18   23 o    5.993000      0.3198000       6.466000 0.4091000       5.520000      0.4917000      0.9466000      0.6396000
  1 1 1      21   18   24 f    2.484000      0.5531000       2.120000 0.7465000       2.848000      0.8163000     -0.7277000       1.106000
  1 1 1      21   18   25 o    1.694000      0.4918000       1.667000 0.6809000       1.721000      0.7099000     -0.5368000E-01  0.9837000
  1 1 1      21   18   26 o    2.573000      0.5201000       2.623000 0.7300000       2.524000      0.7409000      0.9896000E-01   1.040000
  1 1 1      21   18   27 o    2.929000      0.4902000       3.275000 0.6009000       2.582000      0.7746000      0.6929000      0.9804000
  1 1 1      21   18   28 o    2.996000      0.4853000       3.412000 0.6166000       2.579000      0.7496000      0.8326000      0.9706000
  1 1 1      21   18   29 o    3.955000      0.3973000       3.931000 0.5564000       3.979000      0.5674000     -0.4714000E-01  0.7947000
  1 1 1      21   18   30 o    1.855000      0.7480000                  ?       ?   1.855000      0.7480000                  ?              ?
  1 1 1      21   19    0 o    16.32000      0.3857000       16.32000 0.3857000                  ?              ?              ?              ?
  1 1 1      21   19    1 o    5.686000      0.4063000       6.085000 0.6445000       5.286000      0.4948000      0.7985000      0.8126000
  1 1 1      21   19    2 o    2.685000      0.8263000                  ?       ?   2.685000      0.8263000                  ?              ?
  1 1 1      21   19    3 o    5.858000      0.2870000       6.275000 0.4172000       5.442000      0.3942000      0.8326000      0.5739000
  1 1 1      21   19    4 o    10.73000      0.2330000       10.95000 0.3426000       10.52000      0.3158000      0.4229000      0.4660000
  1 1 1      21   19    5 o    4.167000      0.3578000       4.221000 0.5322000       4.113000      0.4786000      0.1078000      0.7157000
  1 1 1      21   19    6 o    6.557000      0.4014000       6.673000 0.5285000       6.441000      0.6043000      0.2323000      0.8028000
  1 1 1      21   19    7 o    4.929000      0.5002000       5.234000 0.5856000       4.623000      0.8110000      0.6114000       1.000000
  1 1 1      21   19    8 o    10.73000      0.2838000       10.69000 0.3070000       10.76000      0.4773000     -0.7112000E-01  0.5675000
  1 1 1      21   19    9 o    7.721000      0.2172000       7.989000 0.3092000       7.453000      0.3052000      0.5357000      0.4345000
  1 1 1      21   19   10 o    2.521000      0.4572000       2.681000 0.6578000       2.362000      0.6350000      0.3187000      0.9143000
  1 1 1      21   19   11 f    1.583000      0.4388000       1.393000 0.6105000       1.774000      0.6303000     -0.3808000      0.8775000
  1 1 1      21   19   12 o    5.126000      0.2356000       5.327000 0.3415000       4.926000      0.3246000      0.4002000      0.4711000
  1 1 1      21   19   13 o    9.119000      0.1933000       8.894000 0.2700000       9.344000      0.2765000     -0.4502000      0.3865000
  1 1 1      21   19   14 o    3.331000      0.3103000       3.055000 0.4763000       3.608000      0.3979000     -0.5532000      0.6206000
  1 1 1      21   19   15 o    5.588000      0.2030000       5.355000 0.2899000       5.821000      0.2843000     -0.4659000      0.4060000
  1 1 1      21   19   16 o    1.666000      0.4328000       1.722000 0.6038000       1.611000      0.6202000      0.1105000      0.8656000
  1 1 1      21   19   17 o    5.951000      0.2256000       5.820000 0.2971000       6.081000      0.3396000     -0.2609000      0.4512000
  1 1 1      21   19   18 o    6.833000      0.2271000       6.899000 0.2892000       6.767000      0.3501000      0.1316000      0.4541000
  1 1 1      21   19   19 o    2.243000      0.5261000       2.528000 0.6867000       1.959000      0.7972000      0.5693000       1.052000
  1 1 1      21   19   20 o    7.831000      0.2794000       7.655000 0.3172000       8.007000      0.4601000     -0.3525000      0.5588000
  1 1 1      21   19   21 o    3.154000      0.5078000       3.313000 0.5731000       2.995000      0.8384000      0.3184000       1.016000
  1 1 1      21   19   22 o    4.638000      0.3662000       4.548000 0.4449000       4.728000      0.5818000     -0.1808000      0.7324000
  1 1 1      21   19   23 o    5.546000      0.3149000       5.770000 0.3787000       5.323000      0.5032000      0.4472000      0.6298000
  1 1 1      21   19   24 o    1.842000      0.5264000       1.753000 0.7065000       1.930000      0.7805000     -0.1774000       1.053000
  1 1 1      21   19   25 o    2.496000      0.5474000       2.754000 0.7185000       2.237000      0.8260000      0.5162000       1.095000
  1 1 1      21   19   26 o    3.116000      0.5266000       3.243000 0.6584000       2.989000      0.8221000      0.2539000       1.053000
  1 1 1      21   19   27 o    1.960000      0.5461000       1.989000 0.7560000       1.930000      0.7884000      0.5877000E-01   1.092000
  1 1 1      21   19   28 o    2.765000      0.5318000       3.541000 0.6899000       1.990000      0.8094000       1.551000       1.064000
  1 1 1      21   19   29 o    2.192000      0.5564000       1.812000 0.7546000       2.572000      0.8178000     -0.7596000       1.113000
  1 1 1      21   20    0 f    8.108000      0.3861000       8.108000 0.3861000                  ?              ?              ?              ?
  1 1 1      21   20    1 o    6.944000      0.2726000       7.218000 0.4033000       6.670000      0.3668000      0.5485000      0.5452000
  1 1 1      21   20    2 o    2.767000      0.5221000       3.588000 0.7489000       1.947000      0.7277000       1.642000       1.044000
  1 1 1      21   20    3 o    2.080000      0.5724000       2.084000 0.8502000       2.076000      0.7666000      0.7170000E-02   1.145000
  1 1 1      21   20    4 o    3.988000      0.5018000       4.006000 0.8086000       3.970000      0.5946000      0.3625000E-01   1.004000
  1 1 1      21   20    5 f    7.824000      0.2349000       7.788000 0.3536000       7.860000      0.3092000     -0.7122000E-01  0.4697000
  1 1 1      21   20    6 o    13.22000      0.2381000       13.14000 0.3401000       13.30000      0.3332000     -0.1588000      0.4761000
  1 1 1      21   20    7 o    8.644000      0.2206000       8.678000 0.3193000       8.610000      0.3046000      0.6735000E-01  0.4413000
  1 1 1      21   20    8 o    13.18000      0.3465000       13.60000 0.4804000       12.76000      0.4993000      0.8427000      0.6929000
  1 1 1      21   20    9 o    7.102000      0.3539000       6.868000 0.4763000       7.337000      0.5236000     -0.4691000      0.7078000
  1 1 1      21   20   10 o    4.618000      0.5299000       5.643000 0.5264000       3.593000      0.9199000       2.050000       1.060000
  1 1 1      21   20   11 o    9.338000      0.3233000       9.150000 0.4339000       9.526000      0.4795000     -0.3763000      0.6466000
  1 1 1      21   20   12 o    3.555000      0.3217000       3.238000 0.5084000       3.872000      0.3944000     -0.6342000      0.6434000
  1 1 1      21   20   13 o    5.497000      0.2180000       5.629000 0.3086000       5.365000      0.3079000      0.2644000      0.4359000
  1 1 1      21   20   14 o    8.090000      0.1925000       7.946000 0.2651000       8.234000      0.2792000     -0.2877000      0.3850000
  1 1 1      21   20   15 o    1.849000      0.4462000       2.081000 0.6311000       1.616000      0.6308000      0.4644000      0.8923000
  1 1 1      21   20   16 o    5.258000      0.2316000       5.299000 0.3111000       5.218000      0.3433000      0.8089000E-01  0.4633000
  1 1 1      21   20   17 o    4.522000      0.3117000       4.543000 0.3791000       4.501000      0.4949000      0.4126000E-01  0.6234000
  1 1 1      21   20   18 o    2.472000      0.5141000       2.370000 0.6775000       2.574000      0.7735000     -0.2041000       1.028000
  1 1 1      21   20   19 o    2.818000      0.5062000       3.458000 0.5759000       2.178000      0.8326000       1.280000       1.012000
  1 1 1      21   20   20 f    5.021000      0.3600000       4.596000 0.4706000       5.445000      0.5451000     -0.8496000      0.7201000
  1 1 1      21   20   21 o    3.803000      0.4943000       4.455000 0.4996000       3.150000      0.8531000       1.305000      0.9886000
  1 1 1      21   20   22 o    4.147000      0.4126000       4.241000 0.4998000       4.053000      0.6567000      0.1875000      0.8253000
  1 1 1      21   20   23 o    4.714000      0.3641000       4.492000 0.4963000       4.935000      0.5329000     -0.4425000      0.7282000
  1 1 1      21   20   24 o    3.829000      0.4441000       3.788000 0.5601000       3.870000      0.6894000     -0.8222000E-01  0.8882000
  1 1 1      21   20   25 o    3.140000      0.5358000       3.666000 0.6239000       2.613000      0.8712000       1.053000       1.072000
  1 1 1      21   20   26 f    3.660000      0.5114000       4.323000 0.5507000       2.996000      0.8618000       1.327000       1.023000
  1 1 1      21   20   27 o    1.526000      0.4924000       1.547000 0.6923000       1.506000      0.7004000      0.4144000E-01  0.9848000
  1 1 1      21   20   28 o    3.526000      0.4951000       4.861000 0.5040000       2.192000      0.8524000       2.669000      0.9903000
  1 1 1      21   20   29 f    2.008000      0.5624000       2.313000 0.8345000       1.703000      0.7543000      0.6099000       1.125000
  1 1 1      21   21    0 o    4.661000      0.3665000       5.036000 0.5072000       4.285000      0.5290000      0.7508000      0.7329000
  1 1 1      21   21    1 o    5.863000      0.2907000       5.879000 0.4345000       5.846000      0.3863000      0.3287000E-01  0.5814000
  1 1 1      21   21    2 o    1.863000      0.5087000       1.630000 0.7286000       2.097000      0.7100000     -0.4668000       1.017000
  1 1 1      21   21    3 o    7.375000      0.2705000       6.774000 0.4255000       7.976000      0.3341000      -1.201000      0.5410000
  1 1 1      21   21    4 o    10.61000      0.2342000       10.87000 0.3453000       10.35000      0.3164000      0.5126000      0.4683000
  1 1 1      21   21    5 o    6.776000      0.3479000       6.320000 0.5850000       7.232000      0.3766000     -0.9128000      0.6957000
  1 1 1      21   21    6 o    8.183000      0.2948000       8.505000 0.4466000       7.861000      0.3849000      0.6439000      0.5896000
  1 1 1      21   21    7 o    2.726000      0.5471000       3.364000 0.8118000       2.089000      0.7338000       1.274000       1.094000
  1 1 1      21   21    8 o    1.830000      0.4671000       1.481000 0.6501000       2.179000      0.6709000     -0.6979000      0.9342000
  1 1 1      21   21    9 o    3.491000      0.3518000       3.627000 0.5233000       3.355000      0.4702000      0.2718000      0.7035000
  1 1 1      21   21   10 f    1.863000      0.4515000       2.288000 0.6706000       1.439000      0.6047000      0.8486000      0.9030000
  1 1 1      21   21   11 o    6.701000      0.2208000       6.391000 0.3275000       7.010000      0.2962000     -0.6183000      0.4416000
  1 1 1      21   21   12 o    4.321000      0.5043000       3.816000 0.6501000       4.826000      0.7712000      -1.010000       1.009000
  1 1 1      21   21   13 o    2.000000      0.5434000       1.237000 0.6021000       2.763000      0.9047000      -1.526000       1.087000
  1 1 1      21   21   14 o    9.450000      0.3166000       9.136000 0.4101000       9.765000      0.4824000     -0.6294000      0.6332000
  1 1 1      21   21   15 o    5.612000      0.4118000       5.918000 0.4710000       5.306000      0.6756000      0.6124000      0.8236000
  1 1 1      21   21   16 o    4.211000      0.5111000       4.431000 0.5785000       3.991000      0.8427000      0.4407000       1.022000
  1 1 1      21   21   17 f    1.301000      0.4284000       1.174000 0.5521000       1.427000      0.6552000     -0.2531000      0.8568000
  1 1 1      21   21   18 o    3.392000      0.4791000       3.745000 0.5136000       3.039000      0.8088000      0.7058000      0.9581000
  1 1 1      21   21   19 o    3.256000      0.5195000       2.899000 0.7023000       3.614000      0.7658000     -0.7154000       1.039000
  1 1 1      21   21   20 o    2.752000      0.5691000       2.690000 0.7293000       2.815000      0.8739000     -0.1246000       1.138000
  1 1 1      21   21   21 o    1.739000      0.5243000       1.556000 0.6788000       1.922000      0.7993000     -0.3666000       1.049000
  1 1 1      21   21   22 o    2.916000      0.5288000       3.407000 0.6261000       2.424000      0.8523000      0.9829000       1.058000
  1 1 1      21   21   23 f    1.962000      0.5530000       1.591000 0.6907000       2.333000      0.8637000     -0.7426000       1.106000
  1 1 1      21   21   24 o    4.782000      0.4567000       4.604000 0.5523000       4.959000      0.7276000     -0.3555000      0.9134000
  1 1 1      21   21   25 o    5.754000      0.3767000       6.051000 0.5108000       5.457000      0.5538000      0.5949000      0.7534000
  1 1 1      21   21   26 o    4.295000      0.4574000       4.356000 0.5993000       4.233000      0.6913000      0.1223000      0.9149000
  1 1 1      21   21   27 o    2.898000      0.5932000       2.627000 0.8278000       3.168000      0.8500000     -0.5410000       1.186000
  1 1 1      21   21   28 o    2.490000      0.5771000       1.891000 0.7829000       3.088000      0.8480000      -1.197000       1.154000
  1 1 1      21   22    0 o    4.491000      0.3786000       4.416000 0.5741000       4.567000      0.4939000     -0.1508000      0.7573000
  1 1 1      21   22    1 o    2.032000      0.5388000       2.102000 0.7769000       1.962000      0.7467000      0.1395000       1.078000
  1 1 1      21   22    2 o    7.953000      0.2480000       7.742000 0.3705000       8.164000      0.3297000     -0.4216000      0.4959000
  1 1 1      21   22    3 o    8.572000      0.2474000       8.804000 0.3700000       8.339000      0.3286000      0.4647000      0.4949000
  1 1 1      21   22    4 o    7.881000      0.2469000       7.742000 0.3658000       8.021000      0.3318000     -0.2792000      0.4939000
  1 1 1      21   22    5 o    7.037000      0.2476000       7.342000 0.3680000       6.732000      0.3313000      0.6100000      0.4952000
  1 1 1      21   22    6 f    4.721000      0.3116000       4.439000 0.4900000       5.003000      0.3850000     -0.5638000      0.6231000
  1 1 1      21   22    7 o    3.694000      0.3940000       3.072000 0.6547000       4.316000      0.4383000      -1.244000      0.7879000
  1 1 1      21   22    8 o    1.580000      0.4896000       1.665000 0.7463000       1.495000      0.6341000      0.1702000      0.9793000
  1 1 1      21   22    9 o    5.273000      0.3168000       5.518000 0.4788000       5.029000      0.4149000      0.4895000      0.6336000
  1 1 1      21   22   10 o    4.900000      0.3320000       5.163000 0.5180000       4.637000      0.4154000      0.5260000      0.6640000
  1 1 1      21   22   11 o    2.960000      0.4638000       2.963000 0.7555000       2.957000      0.5382000      0.6007000E-02  0.9276000
  1 1 1      21   22   12 o    9.000000      0.1996000       9.264000 0.2849000       8.737000      0.2797000      0.5261000      0.3993000
  1 1 1      21   22   13 o    4.348000      0.2764000       4.115000 0.4037000       4.581000      0.3777000     -0.4662000      0.5529000
  1 1 1      21   22   14 o    4.581000      0.2739000       4.095000 0.4140000       5.067000      0.3588000     -0.9716000      0.5479000
  1 1 1      21   22   15 o    10.53000      0.2068000       10.62000 0.2846000       10.44000      0.3000000      0.1763000      0.4135000
  1 1 1      21   22   16 f    11.61000      0.2243000       11.63000 0.3026000       11.58000      0.3313000      0.4682000E-01  0.4487000
  1 1 1      21   22   17 o    3.074000      0.4798000       3.257000 0.5655000       2.891000      0.7751000      0.3660000      0.9595000
  1 1 1      21   22   18 f    2.270000      0.5867000       2.330000 0.8335000       2.211000      0.8261000      0.1195000       1.173000
  1 1 1      21   22   19 o    2.494000      0.6116000       2.667000 0.8080000       2.321000      0.9182000      0.3454000       1.223000
  1 1 1      21   22   20 o    4.716000      0.4495000       5.077000 0.5342000       4.356000      0.7232000      0.7213000      0.8991000
  1 1 1      21   22   21 o    6.444000      0.3445000       6.483000 0.4455000       6.404000      0.5256000      0.7897000E-01  0.6890000
  1 1 1      21   22   22 o    2.145000      0.5729000       2.598000 0.8406000       1.692000      0.7785000      0.9063000       1.146000
  1 1 1      21   22   23 o    5.816000      0.4058000       5.672000 0.5285000       5.960000      0.6160000     -0.2880000      0.8116000
  1 1 1      21   22   24 o    7.412000      0.3807000       7.505000 0.4787000       7.319000      0.5922000      0.1856000      0.7615000
  1 1 1      21   22   25 o    5.094000      0.5419000       5.721000 0.5758000       4.467000      0.9181000       1.254000       1.084000
  1 1 1      21   22   26 o    4.857000      0.5514000       4.914000 0.6924000       4.800000      0.8584000      0.1136000       1.103000
  1 1 1      21   22   27 o    2.447000      0.6802000       2.641000 0.9399000       2.253000      0.9836000      0.3877000       1.360000
  1 1 1      21   22   28 o    3.110000      0.6965000       3.817000 0.9588000       2.404000       1.011000       1.413000       1.393000
  1 1 1      21   23    0 o    2.394000      0.5668000       2.642000 0.8450000       2.146000      0.7557000      0.4957000       1.134000
  1 1 1      21   23    1 o    3.356000      0.7311000       3.356000 0.7311000                  ?              ?              ?              ?
  1 1 1      21   23    2 o    7.684000      0.2561000       7.834000 0.3733000       7.533000      0.3507000      0.3003000      0.5122000
  1 1 1      21   23    3 o    1.886000      0.6996000                  ?       ?   1.886000      0.6996000                  ?              ?
  1 1 1      21   23    4 o    4.836000      0.3244000       5.095000 0.4873000       4.577000      0.4284000      0.5185000      0.6488000
  1 1 1      21   23    5 o    3.613000      0.4250000       3.228000 0.6998000       3.999000      0.4826000     -0.7711000      0.8501000
  1 1 1      21   23    6 o    2.929000      0.4568000       3.053000 0.6845000       2.805000      0.6051000      0.2477000      0.9136000
  1 1 1      21   23    7 o    3.767000      0.3604000       4.143000 0.4955000       3.390000      0.5236000      0.7526000      0.7209000
  1 1 1      21   23    8 o    3.313000      0.4099000       2.488000 0.6966000       4.138000      0.4321000      -1.651000      0.8198000
  1 1 1      21   23    9 o    7.309000      0.2214000       7.395000 0.3206000       7.222000      0.3054000      0.1729000      0.4428000
  1 1 1      21   23   10 o    3.703000      0.3465000       3.685000 0.5171000       3.720000      0.4614000     -0.3574000E-01  0.6930000
  1 1 1      21   23   11 o    5.875000      0.2336000       5.985000 0.3393000       5.764000      0.3211000      0.2212000      0.4672000
  1 1 1      21   23   12 o    7.724000      0.2301000       7.577000 0.2970000       7.872000      0.3516000     -0.2948000      0.4602000
  1 1 1      21   23   13 o    4.418000      0.3880000       3.857000 0.6328000       4.979000      0.4491000      -1.121000      0.7760000
  1 1 1      21   23   14 o    6.453000      0.2967000       6.775000 0.4233000       6.131000      0.4159000      0.6442000      0.5934000
  1 1 1      21   23   15 o    6.238000      0.3455000       5.861000 0.5169000       6.615000      0.4587000     -0.7540000      0.6911000
  1 1 1      21   23   16 o    3.808000      0.5629000       4.797000 0.6484000       2.820000      0.9203000       1.977000       1.126000
  1 1 1      21   23   17 o    5.461000      0.5094000       5.691000 0.6385000       5.231000      0.7938000      0.4600000       1.019000
  1 1 1      21   23   18 o    2.220000      0.6281000       2.116000 0.9541000       2.324000      0.8173000     -0.2075000       1.256000
  1 1 1      21   23   19 o    2.216000      0.5406000       2.499000 0.7268000       1.932000      0.8006000      0.5673000       1.081000
  1 1 1      21   23   20 o    4.147000      0.4528000       4.086000 0.5783000       4.209000      0.6968000     -0.1222000      0.9055000
  1 1 1      21   23   21 o    4.006000      0.4903000       3.890000 0.6662000       4.122000      0.7195000     -0.2318000      0.9805000
  1 1 1      21   23   22 o    1.782000      0.5521000       1.873000 0.7881000       1.692000      0.7734000      0.1816000       1.104000
  1 1 1      21   23   23 o    3.860000      0.5679000       3.225000 0.8289000       4.494000      0.7765000      -1.269000       1.136000
  1 1 1      21   23   24 o    4.712000      0.5166000       4.321000 0.7243000       5.102000      0.7368000     -0.7811000       1.033000
  1 1 1      21   23   25 o    2.379000      0.6103000       1.748000 0.7761000       3.011000      0.9421000      -1.263000       1.221000
  1 1 1      21   23   26 o    2.448000      0.6216000       2.913000 0.8915000       1.983000      0.8664000      0.9304000       1.243000
  1 1 1      21   23   27 f    2.726000      0.6315000       2.438000 0.8652000       3.014000      0.9201000     -0.5763000       1.263000
  1 1 1      21   24    0 o    5.166000      0.3475000       5.244000 0.5233000       5.089000      0.4575000      0.1553000      0.6951000
  1 1 1      21   24    1 o    5.183000      0.4877000       5.183000 0.4877000                  ?              ?              ?              ?
  1 1 1      21   24    2 o    7.478000      0.2579000       7.201000 0.3896000       7.755000      0.3379000     -0.5537000      0.5157000
  1 1 1      21   24    3 f    6.638000      0.3723000                  ?       ?   6.638000      0.3723000                  ?              ?
  1 1 1      21   24    4 f    5.385000      0.3096000       5.401000 0.4627000       5.369000      0.4115000      0.3158000E-01  0.6192000
  1 1 1      21   24    5 f    3.679000      0.3992000       3.689000 0.5914000       3.670000      0.5365000      0.1891000E-01  0.7985000
  1 1 1      21   24    6 o    2.825000      0.4592000       2.658000 0.6947000       2.992000      0.6009000     -0.3345000      0.9185000
  1 1 1      21   24    7 o    2.242000      0.4976000       1.983000 0.7316000       2.500000      0.6747000     -0.5171000      0.9952000
  1 1 1      21   24    8 o    5.491000      0.2615000       5.498000 0.3832000       5.483000      0.3558000      0.1477000E-01  0.5229000
  1 1 1      21   24    9 o    2.242000      0.4759000       2.684000 0.6910000       1.800000      0.6545000      0.8835000      0.9518000
  1 1 1      21   24   10 o    3.349000      0.3995000       3.058000 0.6388000       3.640000      0.4801000     -0.5812000      0.7991000
  1 1 1      21   24   11 o    3.741000      0.3346000       3.743000 0.4904000       3.740000      0.4553000      0.2977000E-02  0.6692000
  1 1 1      21   24   12 o    3.640000      0.3797000       3.719000 0.5178000       3.561000      0.5554000      0.1581000      0.7593000
  1 1 1      21   24   13 o    4.862000      0.2869000       4.786000 0.4082000       4.939000      0.4031000     -0.1534000      0.5737000
  1 1 1      21   24   14 o    2.600000      0.5100000       2.188000 0.7152000       3.013000      0.7272000     -0.8242000       1.020000
  1 1 1      21   24   15 o    2.501000      0.5399000       2.706000 0.7085000       2.296000      0.8149000      0.4098000       1.080000
  1 1 1      21   24   16 o    3.168000      0.5094000       3.439000 0.6178000       2.897000      0.8102000      0.5414000       1.019000
  1 1 1      21   24   17 o    5.741000      0.3556000       6.337000 0.3962000       5.144000      0.5907000       1.193000      0.7113000
  1 1 1      21   24   18 o    2.667000      0.5712000       1.950000 0.7787000       3.385000      0.8359000      -1.435000       1.142000
  1 1 1      21   24   19 o    2.558000      0.5727000       2.970000 0.7449000       2.146000      0.8702000      0.8248000       1.145000
  1 1 1      21   24   20 o    1.281000      0.4452000       1.107000 0.5480000       1.454000      0.7018000     -0.3476000      0.8904000
  1 1 1      21   24   21 o    3.463000      0.6067000       3.404000 0.7878000       3.523000      0.9227000     -0.1192000       1.213000
  1 1 1      21   24   22 o    3.445000      0.6063000       4.009000 0.7470000       2.881000      0.9552000       1.128000       1.213000
  1 1 1      21   24   23 o    2.656000      0.6668000       2.639000 0.9076000       2.672000      0.9770000     -0.3286000E-01   1.334000
  1 1 1      21   24   24 o    2.708000      0.6696000       2.071000 0.8717000       3.345000       1.017000      -1.274000       1.339000
  1 1 1      21   24   25 o    1.838000      0.5824000       1.727000 0.7796000       1.949000      0.8653000     -0.2220000       1.165000
  1 1 1      21   24   26 o    1.604000      0.5310000       1.724000 0.7786000       1.484000      0.7223000      0.2397000       1.062000
  1 1 1      21   25    0 o    1.820000      0.5270000       1.977000 0.7746000       1.662000      0.7149000      0.3152000       1.054000
  1 1 1      21   25    1 o    4.896000      0.3217000       4.864000 0.5232000       4.929000      0.3745000     -0.6465000E-01  0.6434000
  1 1 1      21   25    2 f    4.769000      0.3466000       4.397000 0.5332000       5.141000      0.4431000     -0.7440000      0.6933000
  1 1 1      21   25    3 o    3.752000      0.4857000       3.571000 0.8026000       3.933000      0.5473000     -0.3620000      0.9714000
  1 1 1      21   25    4 o    3.099000      0.4923000       2.564000 0.8120000       3.633000      0.5566000      -1.069000      0.9845000
  1 1 1      21   25    5 o    4.714000      0.3280000       4.411000 0.5124000       5.018000      0.4095000     -0.6069000      0.6559000
  1 1 1      21   25    6 o    4.964000      0.3010000       4.459000 0.4668000       5.470000      0.3800000      -1.011000      0.6019000
  1 1 1      21   25    7 o    2.917000      0.4572000       2.876000 0.6784000       2.958000      0.6130000     -0.8240000E-01  0.9143000
  1 1 1      21   25    8 o    4.103000      0.3449000       3.934000 0.5460000       4.271000      0.4216000     -0.3373000      0.6898000
  1 1 1      21   25    9 o    6.338000      0.2478000       5.969000 0.3793000       6.707000      0.3191000     -0.7376000      0.4957000
  1 1 1      21   25   10 o    9.970000      0.2154000       10.39000 0.3079000       9.555000      0.3013000      0.8298000      0.4308000
  1 1 1      21   25   11 o    6.805000      0.2434000       6.731000 0.3443000       6.880000      0.3441000     -0.1493000      0.4868000
  1 1 1      21   25   12 o    8.023000      0.2242000       7.915000 0.3129000       8.130000      0.3212000     -0.2152000      0.4484000
  1 1 1      21   25   13 o    3.501000      0.4048000       3.523000 0.5322000       3.480000      0.6101000      0.4286000E-01  0.8096000
  1 1 1      21   25   14 o    2.243000      0.5514000       2.161000 0.7398000       2.326000      0.8178000     -0.1646000       1.103000
  1 1 1      21   25   15 o    2.183000      0.5399000       1.613000 0.6912000       2.754000      0.8295000      -1.142000       1.080000
  1 1 1      21   25   16 o    2.888000      0.5531000       3.193000 0.6778000       2.584000      0.8741000      0.6094000       1.106000
  1 1 1      21   25   17 o    5.718000      0.3513000       6.080000 0.4097000       5.356000      0.5708000      0.7239000      0.7027000
  1 1 1      21   25   18 o    2.874000      0.5643000       3.403000 0.6928000       2.345000      0.8908000       1.058000       1.129000
  1 1 1      21   25   19 o    2.990000      0.5557000       1.813000 0.7662000       4.167000      0.8051000      -2.355000       1.111000
  1 1 1      21   25   20 o    2.493000      0.6224000       2.714000 0.8291000       2.273000      0.9285000      0.4413000       1.245000
  1 1 1      21   25   21 o    4.354000      0.7898000       4.071000 1.351000       4.636000      0.8180000     -0.5651000       1.580000
  1 1 1      21   25   22 o    3.389000      0.6491000       3.780000 0.7908000       2.999000       1.029000      0.7809000       1.298000
  1 1 1      21   25   23 o    2.143000      0.6278000       2.306000 0.8888000       1.981000      0.8870000      0.3247000       1.256000
  1 1 1      21   25   24 o    2.528000      0.6885000       2.391000 0.9167000       2.665000       1.028000     -0.2748000       1.377000
  1 1 1      21   25   25 o    2.741000      0.6875000       2.826000 0.9413000       2.656000       1.002000      0.1694000       1.375000
  1 1 1      21   25   26 o    2.005000      0.6077000       2.466000 0.9542000       1.544000      0.7527000      0.9228000       1.215000
  1 1 1      21   26    0 o    5.516000      0.3406000       5.277000 0.5114000       5.755000      0.4500000     -0.4780000      0.6812000
  1 1 1      21   26    1 o    7.815000      0.2629000       8.038000 0.3758000       7.592000      0.3677000      0.4462000      0.5258000
  1 1 1      21   26    2 o    6.591000      0.2895000       7.247000 0.3867000       5.936000      0.4309000       1.311000      0.5790000
  1 1 1      21   26    3 o    5.514000      0.3090000       5.204000 0.4696000       5.824000      0.4017000     -0.6198000      0.6180000
  1 1 1      21   26    4 o    9.168000      0.2380000       9.110000 0.3500000       9.226000      0.3225000     -0.1165000      0.4760000
  1 1 1      21   26    5 o    11.41000      0.2365000       11.47000 0.3352000       11.34000      0.3337000      0.1359000      0.4730000
  1 1 1      21   26    6 o    1.495000      0.4594000       1.652000 0.6887000       1.339000      0.6083000      0.3132000      0.9189000
  1 1 1      21   26    7 o    6.775000      0.2502000       6.619000 0.3583000       6.932000      0.3493000     -0.3127000      0.5004000
  1 1 1      21   26    8 o    8.450000      0.2240000       8.050000 0.3195000       8.851000      0.3140000     -0.8011000      0.4480000
  1 1 1      21   26    9 o    7.030000      0.2401000       7.079000 0.3504000       6.981000      0.3285000      0.9707000E-01  0.4803000
  1 1 1      21   26   10 o    8.253000      0.2337000       8.093000 0.3299000       8.414000      0.3312000     -0.3206000      0.4675000
  1 1 1      21   26   11 o    4.857000      0.3062000       4.929000 0.4235000       4.784000      0.4423000      0.1451000      0.6124000
  1 1 1      21   26   12 o    3.438000      0.4388000       4.032000 0.4969000       2.844000      0.7234000       1.188000      0.8776000
  1 1 1      21   26   13 o    7.160000      0.2651000       7.313000 0.3480000       7.008000      0.4001000      0.3051000      0.5303000
  1 1 1      21   26   14 o    1.898000      0.5195000       2.298000 0.7685000       1.498000      0.6991000      0.7996000       1.039000
  1 1 1      21   26   15 o    2.015000      0.5576000       1.773000 0.7305000       2.258000      0.8425000     -0.4845000       1.115000
  1 1 1      21   26   16 o    5.407000      0.3865000       5.781000 0.4439000       5.034000      0.6329000      0.7462000      0.7730000
  1 1 1      21   26   17 o    2.200000      0.5897000       1.698000 0.7364000       2.702000      0.9212000      -1.005000       1.179000
  1 1 1      21   26   18 o    3.452000      0.5607000       3.707000 0.6687000       3.197000      0.9003000      0.5096000       1.121000
  1 1 1      21   26   19 o    2.813000      0.6413000       3.158000 0.8352000       2.469000      0.9733000      0.6887000       1.283000
  1 1 1      21   26   20 o    2.775000      0.6639000       2.946000 0.8641000       2.604000       1.008000      0.3417000       1.328000
  1 1 1      21   26   21 f    2.280000      0.6456000       2.557000 0.9249000       2.003000      0.9009000      0.5541000       1.291000
  1 1 1      21   26   22 o    2.877000      0.6749000       3.272000 0.9060000       2.482000       1.001000      0.7902000       1.350000
  1 1 1      21   26   23 o    3.622000      0.6847000       3.776000 0.8880000       3.468000       1.042000      0.3077000       1.369000
  1 1 1      21   26   24 o    2.375000      0.6679000       2.663000 0.9609000       2.087000      0.9280000      0.5758000       1.336000
  1 1 1      21   26   25 o    2.219000      0.6534000       2.115000 0.8877000       2.323000      0.9591000     -0.2080000       1.307000
  1 1 1      21   27    0 o    3.418000      0.5099000       3.004000 0.8355000       3.831000      0.5846000     -0.8267000       1.020000
  1 1 1      21   27    1 o    3.726000      0.4594000       3.652000 0.6908000       3.800000      0.6058000     -0.1480000      0.9188000
  1 1 1      21   27    2 o    2.192000      0.5284000       1.744000 0.7552000       2.640000      0.7393000     -0.8959000       1.057000
  1 1 1      21   27    3 o    13.53000      0.2501000       13.13000 0.3491000       13.93000      0.3584000     -0.8027000      0.5003000
  1 1 1      21   27    4 o    7.456000      0.2638000       7.144000 0.4034000       7.768000      0.3401000     -0.6240000      0.5276000
  1 1 1      21   27    5 o    9.747000      0.2346000       9.581000 0.3398000       9.914000      0.3236000     -0.3335000      0.4693000
  1 1 1      21   27    6 o    3.314000      0.4482000       3.128000 0.6732000       3.499000      0.5917000     -0.3713000      0.8963000
  1 1 1      21   27    7 o    1.638000      0.4777000       1.397000 0.6435000       1.880000      0.7063000     -0.4828000      0.9555000
  1 1 1      21   27    8 o    2.826000      0.4565000       2.075000 0.7559000       3.577000      0.5120000      -1.502000      0.9130000
  1 1 1      21   27    9 o    1.862000      0.5038000       1.504000 0.6759000       2.220000      0.7473000     -0.7161000       1.008000
  1 1 1      21   27   10 o    3.422000      0.4566000       4.011000 0.5340000       2.833000      0.7409000       1.178000      0.9133000
  1 1 1      21   27   11 o    8.732000      0.2382000       8.898000 0.3162000       8.566000      0.3564000      0.3323000      0.4764000
  1 1 1      21   27   12 o    8.217000      0.2515000       8.696000 0.3202000       7.737000      0.3879000      0.9597000      0.5030000
  1 1 1      21   27   13 o    5.746000      0.3306000       5.673000 0.4371000       5.818000      0.4961000     -0.1450000      0.6612000
  1 1 1      21   27   14 o    2.557000      0.5809000       2.660000 0.7667000       2.454000      0.8730000      0.2058000       1.162000
  1 1 1      21   27   15 o    2.305000      0.5964000       1.941000 0.7825000       2.669000      0.9004000     -0.7286000       1.193000
  1 1 1      21   27   16 o    3.254000      0.6008000       3.447000 0.7792000       3.061000      0.9148000      0.3864000       1.202000
  1 1 1      21   27   17 o    4.882000      0.4562000       4.988000 0.5748000       4.775000      0.7086000      0.2130000      0.9124000
  1 1 1      21   27   18 o    3.584000      0.6308000       2.935000 0.8620000       4.233000      0.9212000      -1.298000       1.262000
  1 1 1      21   27   19 o    4.572000      0.5668000       4.788000 0.6123000       4.356000      0.9539000      0.4318000       1.134000
  1 1 1      21   27   20 o    3.186000      0.6961000       2.785000 0.8981000       3.588000       1.064000     -0.8032000       1.392000
  1 1 1      21   27   21 o    3.222000      0.6791000       3.807000 0.8716000       2.636000       1.042000       1.171000       1.358000
  1 1 1      21   27   22 o    2.877000      0.7283000       2.757000 0.9797000       2.998000       1.078000     -0.2411000       1.457000
  1 1 1      21   27   23 o    1.932000      0.6178000       1.551000 0.7425000       2.313000      0.9877000     -0.7616000       1.236000
  1 1 1      21   27   24 o    5.007000      0.6077000       5.796000 0.6498000       4.218000       1.027000       1.578000       1.215000
  1 1 1      21   28    0 o    5.954000      0.6225000       5.786000 0.6829000       6.122000       1.041000     -0.3366000       1.245000
  1 1 1      21   28    1 o    3.081000      0.7298000       2.527000 0.7700000       3.635000       1.240000      -1.108000       1.460000
  1 1 1      21   28    2 o    4.384000      0.6028000       4.384000 0.6028000                  ?              ?              ?              ?
  1 1 1      21   28    3 o    8.267000      0.2555000       8.193000 0.3649000       8.342000      0.3576000     -0.1488000      0.5109000
  1 1 1      21   28    4 o    8.598000      0.3401000                  ?       ?   8.598000      0.3401000                  ?              ?
  1 1 1      21   28    5 o    8.130000      0.2509000       7.846000 0.3637000       8.414000      0.3458000     -0.5680000      0.5019000
  1 1 1      21   28    6 o    2.034000      0.5159000       2.554000 0.7986000       1.513000      0.6532000       1.041000       1.032000
  1 1 1      21   28    7 o    6.113000      0.2918000       5.618000 0.4623000       6.607000      0.3563000     -0.9889000      0.5836000
  1 1 1      21   28    8 o    4.335000      0.3925000       4.150000 0.5746000       4.521000      0.5349000     -0.3708000      0.7850000
  1 1 1      21   28    9 o    6.546000      0.2891000       6.675000 0.3912000       6.418000      0.4258000      0.2576000      0.5783000
  1 1 1      21   28   10 o    5.037000      0.3494000       5.303000 0.4702000       4.770000      0.5168000      0.5330000      0.6987000
  1 1 1      21   28   11 o    7.258000      0.2773000       7.619000 0.3610000       6.898000      0.4210000      0.7211000      0.5546000
  1 1 1      21   28   12 o    5.896000      0.3313000       5.906000 0.4316000       5.886000      0.5028000      0.1998000E-01  0.6626000
  1 1 1      21   28   13 o    5.339000      0.3718000       4.901000 0.5134000       5.777000      0.5379000     -0.8763000      0.7436000
  1 1 1      21   28   14 f    4.308000      0.5003000       5.242000 0.4794000       3.375000      0.8784000       1.867000       1.001000
  1 1 1      21   28   15 o    3.515000      0.5879000       3.941000 0.6992000       3.089000      0.9453000      0.8524000       1.176000
  1 1 1      21   28   16 o    3.097000      0.6417000       3.068000 0.8474000       3.126000      0.9639000     -0.5748000E-01   1.283000
  1 1 1      21   28   17 o    2.094000      0.6001000       2.398000 0.8729000       1.789000      0.8236000      0.6096000       1.200000
  1 1 1      21   28   18 o    3.808000      0.5946000       5.050000 0.6180000       2.566000       1.016000       2.484000       1.189000
  1 1 1      21   28   19 o    2.861000      0.6546000       3.528000 0.8930000       2.194000      0.9575000       1.334000       1.309000
  1 1 1      21   28   20 o    2.061000      0.6331000       2.269000 0.9248000       1.853000      0.8647000      0.4155000       1.266000
  1 1 1      21   28   21 f    3.092000      0.7247000       2.450000 0.9830000       3.734000       1.065000      -1.284000       1.449000
  1 1 1      21   28   22 o    2.269000      0.6584000       2.729000 0.9993000       1.809000      0.8575000      0.9199000       1.317000
  1 1 1      21   28   23 o    4.082000      0.6951000       3.363000 1.003000       4.801000      0.9624000      -1.437000       1.390000
  1 1 1      21   29    0 o    1.761000      0.5222000       1.674000 0.7490000       1.847000      0.7277000     -0.1726000       1.044000
  1 1 1      21   29    1 o    7.220000      0.2838000       7.255000 0.4104000       7.185000      0.3922000      0.6986000E-01  0.5677000
  1 1 1      21   29    2 o    2.981000      0.9758000       2.981000 0.9758000                  ?              ?              ?              ?
  1 1 1      21   29    3 o    5.434000      0.6066000       6.032000 0.6346000       4.836000       1.034000       1.196000       1.213000
  1 1 1      21   29    4 o    5.238000      0.9824000                  ?       ?   5.238000      0.9824000                  ?              ?
  1 1 1      21   29    5 o    3.464000      0.7599000       2.891000 0.9907000       4.037000       1.152000      -1.146000       1.520000
  1 1 1      21   29    6 o    6.027000      0.3230000       6.021000 0.4819000       6.033000      0.4303000     -0.1172000E-01  0.6460000
  1 1 1      21   29    7 o    3.871000      0.4553000       3.824000 0.6748000       3.919000      0.6114000     -0.9534000E-01  0.9106000
  1 1 1      21   29    8 o    2.130000      0.5534000       2.475000 0.8277000       1.786000      0.7348000      0.6893000       1.107000
  1 1 1      21   29    9 f    3.195000      0.4987000       2.158000 0.8237000       4.231000      0.5623000      -2.073000      0.9973000
  1 1 1      21   29   10 o    3.536000      0.5109000       2.813000 0.8109000       4.260000      0.6218000      -1.447000       1.022000
  1 1 1      21   29   11 o    4.519000      0.4455000       4.848000 0.5643000       4.190000      0.6896000      0.6577000      0.8911000
  1 1 1      21   29   12 o    2.250000      0.6026000       1.875000 0.7874000       2.626000      0.9124000     -0.7508000       1.205000
  1 1 1      21   29   13 o    3.098000      0.5945000       3.589000 0.7610000       2.607000      0.9136000      0.9814000       1.189000
  1 1 1      21   29   14 o    2.737000      0.6189000       3.197000 0.8477000       2.277000      0.9019000      0.9203000       1.238000
  1 1 1      21   29   15 o    2.392000      0.6614000       2.422000 0.9140000       2.361000      0.9562000      0.6106000E-01   1.323000
  1 1 1      21   29   16 o    2.988000      0.6620000       3.577000 0.9131000       2.400000      0.9588000       1.177000       1.324000
  1 1 1      21   29   17 o    2.232000      0.6563000       1.983000 0.8644000       2.481000      0.9877000     -0.4983000       1.313000
  1 1 1      21   29   18 o    2.256000      0.6731000       2.039000 0.8865000       2.474000       1.013000     -0.4350000       1.346000
  1 1 1      21   29   19 o    2.227000      0.6660000       2.406000 0.9446000       2.048000      0.9393000      0.3574000       1.332000
  1 1 1      21   29   20 o    2.027000      0.6141000       2.499000 0.9611000       1.555000      0.7645000      0.9442000       1.228000
  1 1 1      21   29   21 o    3.400000      0.7212000       2.590000 1.006000       4.210000       1.034000      -1.619000       1.442000
  1 1 1      21   29   22 o    2.416000      0.7039000       2.532000 0.9855000       2.301000       1.005000      0.2305000       1.408000
  1 1 1      21   30    0 f    6.338000      0.4537000       5.843000 0.7781000       6.832000      0.4670000     -0.9882000      0.9075000
  1 1 1      21   30    1 o    6.008000      0.4651000       5.416000 0.8233000       6.599000      0.4329000      -1.184000      0.9302000
  1 1 1      21   30    2 o    1.975000      0.5329000       2.172000 0.8192000       1.778000      0.6817000      0.3935000       1.066000
  1 1 1      21   30    3 o    3.300000      0.6229000       3.373000 1.020000       3.226000      0.7159000      0.1473000       1.246000
  1 1 1      21   30    4 o    5.681000      0.3570000       5.242000 0.5714000       6.119000      0.4282000     -0.8765000      0.7140000
  1 1 1      21   30    5 o    7.901000      0.2858000       7.970000 0.4122000       7.832000      0.3960000      0.1378000      0.5716000
  1 1 1      21   30    6 o    6.086000      0.3148000       5.791000 0.4807000       6.380000      0.4067000     -0.5891000      0.6296000
  1 1 1      21   30    7 o    3.259000      0.7860000       2.489000 0.9703000       4.029000       1.237000      -1.541000       1.572000
  1 1 1      21   30    8 o    4.679000      0.6986000       4.462000 0.8342000       4.896000       1.121000     -0.4343000       1.397000
  1 1 1      21   30    9 o    5.182000      0.6236000       5.148000 0.7443000       5.216000       1.001000     -0.6844000E-01   1.247000
  1 1 1      21   30   10 o    3.893000      0.7268000       2.950000 0.9855000       4.837000       1.068000      -1.887000       1.454000
  1 1 1      21   30   11 f    2.369000      0.6951000       1.595000 0.7565000       3.143000       1.166000      -1.548000       1.390000
  1 1 1      21   30   12 o    3.624000      0.7367000       3.980000 0.8535000       3.269000       1.201000      0.7109000       1.473000
  1 1 1      21   30   13 o    4.536000      0.6624000       4.496000 0.6137000       4.577000       1.174000     -0.8172000E-01   1.325000
  1 1 1      21   30   14 o    2.372000      0.6325000       2.761000 0.9095000       1.982000      0.8792000      0.7786000       1.265000
  1 1 1      21   30   15 o    4.733000      0.5909000       5.238000 0.6365000       4.228000      0.9958000       1.009000       1.182000
  1 1 1      21   30   16 o    2.680000      0.6808000       3.273000 0.9913000       2.086000      0.9334000       1.187000       1.362000
  1 1 1      21   30   17 o    3.007000      0.7260000       3.336000 1.007000       2.678000       1.046000      0.6585000       1.452000
  1 1 1      21   30   18 o    2.329000      0.6871000       1.826000 0.8388000       2.833000       1.088000      -1.007000       1.374000
  1 1 1      21   30   19 o    2.051000      0.6588000       1.923000 0.8715000       2.179000      0.9881000     -0.2564000       1.318000
  1 1 1      21   30   20 f    2.336000      0.7018000       2.165000 0.9323000       2.508000       1.049000     -0.3435000       1.404000
  1 1 1      21   30   21 o    2.589000      0.7628000       1.898000 0.9013000       3.280000       1.231000      -1.382000       1.526000
  1 1 1      21   31    0 o    3.574000      0.5217000       2.933000 0.8475000       4.215000      0.6086000      -1.283000       1.043000
  1 1 1      21   31    1 o    2.744000      0.5991000       2.565000 0.8814000       2.922000      0.8115000     -0.3570000       1.198000
  1 1 1      21   31    2 o    2.852000      0.6093000       2.462000 0.8863000       3.242000      0.8363000     -0.7807000       1.219000
  1 1 1      21   31    3 o    3.025000      0.6380000       3.964000 0.9906000       2.087000      0.8042000       1.877000       1.276000
  1 1 1      21   31    4 o    5.791000      0.4787000       4.882000 0.8103000       6.701000      0.5100000      -1.819000      0.9574000
  1 1 1      21   31    5 f    2.616000      0.6749000       3.247000 1.071000       1.985000      0.8211000       1.262000       1.350000
  1 1 1      21   31    6 o    3.272000      0.6748000       4.000000 0.9703000       2.543000      0.9381000       1.456000       1.350000
  1 1 1      21   31    7 o    2.231000      0.5850000       2.216000 0.8004000       2.247000      0.8535000     -0.3113000E-01   1.170000
  1 1 1      21   31    8 o    2.354000      0.6175000       2.495000 0.8710000       2.213000      0.8757000      0.2825000       1.235000
  1 1 1      21   31    9 o    2.623000      0.6325000       2.560000 0.8882000       2.687000      0.9009000     -0.1274000       1.265000
  1 1 1      21   31   10 o    3.060000      0.5980000       3.905000 0.7788000       2.215000      0.9076000       1.690000       1.196000
  1 1 1      21   31   11 o    2.493000      0.6378000       2.920000 0.9265000       2.065000      0.8768000      0.8558000       1.276000
  1 1 1      21   31   12 o    2.756000      0.6511000       2.184000 0.8846000       3.328000      0.9555000      -1.144000       1.302000
  1 1 1      21   31   13 o    2.612000      0.6820000       2.314000 0.9056000       2.910000       1.020000     -0.5967000       1.364000
  1 1 1      21   31   14 o    3.101000      0.7253000       2.691000 0.9858000       3.511000       1.064000     -0.8201000       1.451000
  1 1 1      21   31   15 o    3.997000      0.6479000       2.947000 0.9910000       5.047000      0.8348000      -2.099000       1.296000
  1 1 1      21   31   16 o    2.188000      0.6672000       2.015000 0.8795000       2.360000       1.004000     -0.3451000       1.334000
  1 1 1      21   31   17 o    3.055000      0.7987000       3.272000 1.103000       2.839000       1.156000      0.4337000       1.597000
  1 1 1      21   31   18 o    3.476000      0.8277000       2.841000 1.105000       4.112000       1.232000      -1.271000       1.655000
  1 1 1      21   31   19 o    2.291000      0.7249000       2.277000 0.9944000       2.304000       1.055000     -0.2627000E-01   1.450000
  1 1 1      21   32    0 o    4.510000      0.4654000       4.482000 0.7004000       4.538000      0.6131000     -0.5567000E-01  0.9309000
  1 1 1      21   32    1 o    5.378000      0.4044000       4.921000 0.6313000       5.836000      0.5055000     -0.9147000      0.8087000
  1 1 1      21   32    2 o    5.900000      0.3806000       5.593000 0.5512000       6.206000      0.5249000     -0.6131000      0.7612000
  1 1 1      21   32    3 o    2.263000      0.6161000       2.418000 0.8862000       2.108000      0.8562000      0.3099000       1.232000
  1 1 1      21   32    4 o    2.968000      0.5878000       2.285000 0.9026000       3.650000      0.7532000      -1.365000       1.176000
  1 1 1      21   32    5 o    2.761000      0.5894000       2.067000 0.8544000       3.455000      0.8123000      -1.387000       1.179000
  1 1 1      21   32    6 o    3.273000      0.6322000       3.123000 0.8924000       3.424000      0.8957000     -0.3010000       1.264000
  1 1 1      21   32    7 o    4.475000      0.4937000       4.700000 0.6558000       4.251000      0.7381000      0.4490000      0.9874000
  1 1 1      21   32    8 o    1.563000      0.5203000       1.459000 0.6927000       1.667000      0.7765000     -0.2080000       1.041000
  1 1 1      21   32    9 o    4.999000      0.6924000       4.383000 1.140000       5.615000      0.7858000      -1.232000       1.385000
  1 1 1      21   32   10 o    2.939000      0.7977000       3.458000 1.210000       2.420000       1.040000       1.038000       1.595000
  1 1 1      21   32   11 f    2.670000      0.7879000       2.711000 1.156000       2.630000       1.071000      0.8039000E-01   1.576000
  1 1 1      21   32   12 o    2.376000      0.7453000       2.491000 1.104000       2.261000       1.002000      0.2300000       1.491000
  1 1 1      21   32   13 o    3.109000      0.8286000       2.454000 1.127000       3.764000       1.215000      -1.310000       1.657000
  1 1 1      21   32   14 o    2.945000      0.8846000       3.287000 1.331000       2.603000       1.166000      0.6838000       1.769000
  1 1 1      21   32   15 o    2.850000      0.8830000       2.839000 1.265000       2.860000       1.232000     -0.2103000E-01   1.766000
  1 1 1      21   32   16 o    2.464000      0.8121000       2.258000 1.090000       2.671000       1.204000     -0.4129000       1.624000
  1 1 1      21   32   17 o    4.111000       1.038000       3.311000 1.400000       4.911000       1.534000      -1.599000       2.077000
  1 1 1      21   32   18 o    4.157000       1.029000       3.238000 1.401000       5.076000       1.507000      -1.838000       2.058000
  1 1 1      21   33    0 o    4.113000      0.5842000       3.618000 0.8908000       4.608000      0.7560000     -0.9901000       1.168000
  1 1 1      21   33    1 o    3.997000      0.5975000       4.501000 0.7550000       3.493000      0.9263000       1.008000       1.195000
  1 1 1      21   33    2 o    3.694000      0.6114000       2.949000 0.9680000       4.438000      0.7471000      -1.488000       1.223000
  1 1 1      21   33    3 o    3.069000      0.9363000       3.069000 0.9363000                  ?              ?              ?              ?
  1 1 1      21   33    4 o    2.530000      0.6326000       2.332000 0.9031000       2.728000      0.8861000     -0.3962000       1.265000
  1 1 1      21   33    5 o    1.958000      0.6040000       1.943000 0.8583000       1.972000      0.8502000     -0.2896000E-01   1.208000
  1 1 1      21   33    6 f    2.614000      0.6391000       3.157000 0.9211000       2.072000      0.8861000       1.085000       1.278000
  1 1 1      21   33    7 o    2.145000      0.6341000       2.227000 0.9127000       2.064000      0.8805000      0.1628000       1.268000
  1 1 1      21   33    8 f    3.990000      0.6234000       3.216000 0.9925000       4.765000      0.7547000      -1.550000       1.247000
  1 1 1      21   33    9 o    2.880000      0.6744000       2.200000 0.9329000       3.560000      0.9742000      -1.360000       1.349000
  1 1 1      21   33   10 o    2.006000      0.6299000       2.147000 0.9320000       1.866000      0.8476000      0.2806000       1.260000
  1 1 1      21   33   11 o    3.080000      0.7160000       3.005000 0.9968000       3.155000       1.028000     -0.1502000       1.432000
  1 1 1      21   33   12 o    2.582000      0.7097000       2.488000 0.9729000       2.676000       1.034000     -0.1881000       1.419000
  1 1 1      21   33   13 o    2.446000      0.6928000       1.759000 0.8256000       3.133000       1.113000      -1.374000       1.386000
  1 1 1      21   33   14 o    2.130000      0.6504000       1.684000 0.8015000       2.576000       1.025000     -0.8928000       1.301000
  1 1 1      21   33   15 o    1.964000      0.6399000       1.892000 0.8660000       2.036000      0.9422000     -0.1439000       1.280000
  1 1 1      21   33   16 o    2.384000      0.7512000       2.197000 0.9561000       2.571000       1.159000     -0.3742000       1.502000
  1 1 1      21   34    0 o    4.741000      0.5449000       4.507000 0.8389000       4.975000      0.6957000     -0.4673000       1.090000
  1 1 1      21   34    1 o    1.876000      0.5901000       1.698000 0.7968000       2.053000      0.8707000     -0.3548000       1.180000
  1 1 1      21   34    2 o    2.724000      0.6586000       2.132000 0.9145000       3.317000      0.9481000      -1.185000       1.317000
  1 1 1      21   34    3 o    2.531000      0.9731000       2.531000 0.9731000                  ?              ?              ?              ?
  1 1 1      21   34    4 o    3.431000      0.6664000       3.061000 1.006000       3.802000      0.8747000     -0.7407000       1.333000
  1 1 1      21   34    5 o    4.045000      0.8789000                  ?       ?   4.045000      0.8789000                  ?              ?
  1 1 1      21   34    6 o    2.748000      0.7024000       2.988000 1.013000       2.508000      0.9737000      0.4803000       1.405000
  1 1 1      21   34    7 o    2.307000      0.6669000       2.226000 0.9326000       2.388000      0.9536000     -0.1615000       1.334000
  1 1 1      21   34    8 o    3.795000      0.6603000       4.766000 0.8580000       2.825000       1.004000       1.941000       1.321000
  1 1 1      21   34    9 o    3.316000      0.7262000       3.499000 1.030000       3.133000       1.024000      0.3659000       1.452000
  1 1 1      21   34   10 o    3.334000      0.7131000       3.860000 1.014000       2.807000       1.003000       1.053000       1.426000
  1 1 1      21   34   11 o    2.121000      0.6509000       2.047000 0.9012000       2.195000      0.9393000     -0.1481000       1.302000
  1 1 1      21   34   12 o    3.109000      0.7584000       2.618000 1.003000       3.600000       1.138000     -0.9819000       1.517000
  1 1 1      21   34   13 o    2.307000      0.7068000       2.314000 0.9972000       2.299000       1.002000      0.1462000E-01   1.414000
  1 1 1      21   34   14 o    2.824000      0.7342000       3.383000 1.067000       2.264000       1.008000       1.119000       1.468000
  1 1 1      21   35    0 o    2.048000      0.6293000       2.306000 0.9575000       1.791000      0.8168000      0.5144000       1.259000
  1 1 1      21   35    1 o    3.241000      0.7019000       2.724000 1.032000       3.757000      0.9520000      -1.033000       1.404000
  1 1 1      21   35    2 o    3.070000      0.6764000       2.300000 0.9560000       3.839000      0.9571000      -1.539000       1.353000
  1 1 1      21   35    3 o    2.234000      0.7053000       2.002000 0.8936000       2.465000       1.091000     -0.4633000       1.411000
  1 1 1      21   35    4 o    1.895000      0.6061000       1.947000 0.8798000       1.842000      0.8340000      0.1045000       1.212000
  1 1 1      21   35    5 o    2.186000      0.9156000                  ?       ?   2.186000      0.9156000                  ?              ?
  1 1 1      21   35    6 o    2.542000      0.6993000       2.623000 1.001000       2.461000      0.9770000      0.1625000       1.399000
  1 1 1      21   35    7 o    2.785000      0.6730000       3.582000 1.004000       1.988000      0.8966000       1.594000       1.346000
  1 1 1      21   35    8 f    2.113000      0.6582000       2.371000 0.9922000       1.854000      0.8651000      0.5170000       1.316000
  1 1 1      21   35    9 o    2.852000      0.7385000       3.075000 1.084000       2.629000       1.003000      0.4463000       1.477000
  1 1 1      21   35   10 o    2.159000      0.6724000       2.237000 0.9756000       2.080000      0.9256000      0.1574000       1.345000
  1 1 1      21   35   11 o    2.495000      0.7223000       2.797000 1.063000       2.193000      0.9786000      0.6043000       1.445000
  1 1 1      21   36    0 o    3.168000      0.7248000       3.044000 1.058000       3.292000      0.9912000     -0.2483000       1.450000
  1 1 1      21   36    1 o    3.050000      0.7206000       3.339000 1.053000       2.761000      0.9838000      0.5773000       1.441000
  1 1 1      21   36    2 o    2.283000      0.6805000       2.261000 0.9666000       2.306000      0.9580000     -0.4506000E-01   1.361000
  1 1 1      21   36    3 o    2.301000      0.6790000       2.449000 1.007000       2.154000      0.9118000      0.2949000       1.358000
  1 1 1      21   36    4 o    4.484000      0.7489000       3.904000 1.311000       5.064000      0.7242000      -1.161000       1.498000
  1 1 1      21   36    5 o    2.261000      0.6731000       2.048000 0.9313000       2.475000      0.9721000     -0.4270000       1.346000
  1 1 1      21   36    6 o    2.785000      0.7336000       2.889000 1.072000       2.682000       1.001000      0.2069000       1.467000
  1 1 1      21   36    7 o    2.404000      0.7027000       2.445000 1.021000       2.363000      0.9658000      0.8168000E-01   1.405000
  1 1 1      21   36    8 o    2.532000      0.8220000       2.125000 1.017000       2.939000       1.292000     -0.8141000       1.644000
  1 1 1      22  -17    0 o    3.236000      0.6517000       3.793000 0.9076000       2.678000      0.9355000       1.115000       1.303000
  1 1 1      22  -17    1 o    5.414000      0.4546000       5.440000 0.6578000       5.387000      0.6276000      0.5268000E-01  0.9092000
  1 1 1      22  -17    2 o    2.423000      0.6523000       2.595000 0.9300000       2.250000      0.9148000      0.3450000       1.305000
  1 1 1      22  -17    3 f    2.124000      0.6272000       1.809000 0.8303000       2.440000      0.9403000     -0.6311000       1.254000
  1 1 1      22  -17    4 o    2.323000      0.6453000       1.996000 0.8674000       2.650000      0.9556000     -0.6538000       1.291000
  1 1 1      22  -17    5 o    2.300000      0.6487000       2.555000 0.9528000       2.044000      0.8805000      0.5104000       1.297000
  1 1 1      22  -17    6 o    3.100000       1.210000                  ?       ?   3.100000       1.210000                  ?              ?
  1 1 1      22  -16    0 o    4.123000      0.5852000       3.688000 0.8932000       4.558000      0.7564000     -0.8698000       1.170000
  1 1 1      22  -16    1 o    6.374000      0.3771000       6.865000 0.4801000       5.883000      0.5817000      0.9822000      0.7542000
  1 1 1      22  -16    2 o    6.800000      0.3694000       6.238000 0.5542000       7.362000      0.4884000      -1.124000      0.7387000
  1 1 1      22  -16    3 o    3.141000      0.7819000       2.608000 1.050000       3.674000       1.159000      -1.066000       1.564000
  1 1 1      22  -16    4 o    2.812000      0.7827000       2.308000 1.002000       3.316000       1.203000      -1.008000       1.565000
  1 1 1      22  -16    5 o    1.779000      0.5665000       2.020000 0.8615000       1.538000      0.7359000      0.4818000       1.133000
  1 1 1      22  -16    6 o    4.988000      0.4894000       5.274000 0.6430000       4.701000      0.7378000      0.5732000      0.9787000
  1 1 1      22  -16    7 o    4.218000      0.6405000       4.121000 0.7874000       4.315000       1.010000     -0.1938000       1.281000
  1 1 1      22  -16    8 o    2.257000      0.7071000       1.951000 0.9205000       2.563000       1.074000     -0.6123000       1.414000
  1 1 1      22  -16    9 o    3.305000      0.7346000       3.315000 1.189000       3.294000      0.8629000      0.2159000E-01   1.469000
  1 1 1      22  -16   10 o    2.227000      0.9939000                  ?       ?   2.227000      0.9939000                  ?              ?
  1 1 1      22  -15    0 o    2.012000      0.5623000       1.293000 0.6313000       2.731000      0.9307000      -1.438000       1.125000
  1 1 1      22  -15    1 o    5.633000      0.6319000       5.431000 0.7525000       5.835000       1.015000     -0.4042000       1.264000
  1 1 1      22  -15    2 o    3.565000      0.8311000       3.500000 1.102000       3.630000       1.244000     -0.1304000       1.662000
  1 1 1      22  -15    3 o    4.770000      0.4616000       4.835000 0.6409000       4.706000      0.6644000      0.1290000      0.9231000
  1 1 1      22  -15    4 o    2.374000      0.6259000       2.394000 0.8709000       2.355000      0.8993000      0.3877000E-01   1.252000
  1 1 1      22  -15    5 o    4.070000      0.7208000       4.132000 1.112000       4.008000      0.9178000      0.1240000       1.442000
  1 1 1      22  -15    6 o    2.950000      0.7658000       2.993000 1.114000       2.907000       1.051000      0.8556000E-01   1.532000
  1 1 1      22  -15    7 o    4.094000      0.5616000       4.009000 0.7555000       4.179000      0.8312000     -0.1700000       1.123000
  1 1 1      22  -15    8 o    5.455000      0.4382000       4.820000 0.6653000       6.090000      0.5705000      -1.270000      0.8764000
  1 1 1      22  -15    9 o    6.512000      0.3857000       6.631000 0.5045000       6.392000      0.5836000      0.2389000      0.7714000
  1 1 1      22  -15   10 o    4.439000      0.5323000       4.481000 0.6968000       4.397000      0.8048000      0.8378000E-01   1.065000
  1 1 1      22  -15   11 o    2.277000      0.6199000       2.682000 0.9213000       1.871000      0.8297000      0.8112000       1.240000
  1 1 1      22  -15   12 o    4.077000      0.5901000       3.705000 0.8780000       4.449000      0.7886000     -0.7437000       1.180000
  1 1 1      22  -14    0 o    5.107000      0.7216000       4.083000 0.9921000       6.130000       1.048000      -2.047000       1.443000
  1 1 1      22  -14    1 o    4.432000      0.4999000       4.579000 0.6518000       4.284000      0.7580000      0.2941000      0.9997000
  1 1 1      22  -14    2 o    4.067000      0.5192000       3.787000 0.8101000       4.347000      0.6498000     -0.5600000       1.038000
  1 1 1      22  -14    3 o    4.604000      0.5624000       4.847000 0.8286000       4.361000      0.7606000      0.4868000       1.125000
  1 1 1      22  -14    4 o    8.617000      0.3689000       8.347000 0.5623000       8.887000      0.4778000     -0.5395000      0.7378000
  1 1 1      22  -14    5 o    7.770000      0.3089000       8.039000 0.4256000       7.500000      0.4477000      0.5382000      0.6177000
  1 1 1      22  -14    6 o    5.293000      0.4187000       5.416000 0.5754000       5.171000      0.6083000      0.2448000      0.8373000
  1 1 1      22  -14    7 o    4.719000      0.4592000       4.432000 0.6801000       5.006000      0.6171000     -0.5746000      0.9184000
  1 1 1      22  -14    8 o    6.551000      0.3440000       6.339000 0.4885000       6.763000      0.4844000     -0.4248000      0.6879000
  1 1 1      22  -14    9 o    5.358000      0.4143000       5.373000 0.5569000       5.342000      0.6135000      0.3053000E-01  0.8286000
  1 1 1      22  -14   10 o    2.085000      0.6091000       2.190000 0.8593000       1.981000      0.8634000      0.2088000       1.218000
  1 1 1      22  -14   11 o    2.540000      0.6267000       1.911000 0.8321000       3.168000      0.9373000      -1.257000       1.253000
  1 1 1      22  -14   12 o    1.835000      0.5633000       2.128000 0.8539000       1.542000      0.7349000      0.5858000       1.127000
  1 1 1      22  -14   13 o    2.054000      0.6155000       2.095000 0.8638000       2.013000      0.8771000      0.8253000E-01   1.231000
  1 1 1      22  -14   14 o    2.347000      0.6379000       1.793000 0.8096000       2.901000      0.9859000      -1.108000       1.276000
  1 1 1      22  -14   15 o    3.372000       1.109000                  ?       ?   3.372000       1.109000                  ?              ?
  1 1 1      22  -13    0 o    6.672000      0.3434000       6.093000 0.5258000       7.251000      0.4418000      -1.158000      0.6868000
  1 1 1      22  -13    1 o    7.914000      0.3907000       7.603000 0.6092000       8.226000      0.4894000     -0.6224000      0.7814000
  1 1 1      22  -13    2 o    3.423000      0.6475000       3.762000 0.9699000       3.084000      0.8581000      0.6787000       1.295000
  1 1 1      22  -13    3 o    4.275000      0.4928000       4.032000 0.7377000       4.518000      0.6536000     -0.4865000      0.9856000
  1 1 1      22  -13    4 o    9.350000      0.2767000       9.428000 0.3863000       9.272000      0.3961000      0.1561000      0.5533000
  1 1 1      22  -13    5 o    5.116000      0.3830000       5.584000 0.4982000       4.647000      0.5819000      0.9368000      0.7661000
  1 1 1      22  -13    6 o    3.294000      0.5496000       2.877000 0.8531000       3.711000      0.6931000     -0.8347000       1.099000
  1 1 1      22  -13    7 o    3.775000      0.5155000       2.732000 0.8635000       4.818000      0.5634000      -2.086000       1.031000
  1 1 1      22  -13    8 o    3.135000      0.5878000       3.123000 0.8241000       3.147000      0.8385000     -0.2398000E-01   1.176000
  1 1 1      22  -13    9 o    2.497000      0.6034000       2.347000 0.8469000       2.648000      0.8596000     -0.3011000       1.207000
  1 1 1      22  -13   10 o    3.307000      0.5912000       3.230000 0.8110000       3.384000      0.8604000     -0.1542000       1.182000
  1 1 1      22  -13   11 o    2.652000      0.6150000       3.197000 0.8554000       2.106000      0.8838000       1.091000       1.230000
  1 1 1      22  -13   12 o    2.413000      0.6183000       2.662000 0.8616000       2.164000      0.8869000      0.4979000       1.237000
  1 1 1      22  -13   13 f    4.003000      0.5452000       4.606000 0.6179000       3.399000      0.8985000       1.207000       1.090000
  1 1 1      22  -13   14 o    3.252000      0.6462000       3.015000 0.8784000       3.488000      0.9481000     -0.4733000       1.292000
  1 1 1      22  -13   15 o    5.028000      0.5612000       6.117000 0.6856000       3.938000      0.8886000       2.179000       1.122000
  1 1 1      22  -13   16 o    4.966000      0.4830000       5.091000 0.6531000       4.842000      0.7119000      0.2494000      0.9661000
  1 1 1      22  -12    0 o    8.027000      0.3707000       7.615000 0.6198000       8.440000      0.4069000     -0.8251000      0.7414000
  1 1 1      22  -12    1 o    6.398000      0.3395000       6.745000 0.4682000       6.051000      0.4917000      0.6944000      0.6790000
  1 1 1      22  -12    2 o    8.121000      0.2960000       8.378000 0.4035000       7.863000      0.4332000      0.5147000      0.5920000
  1 1 1      22  -12    3 o    2.136000      0.5649000       1.654000 0.7425000       2.618000      0.8517000     -0.9645000       1.130000
  1 1 1      22  -12    4 o    4.385000      0.4469000       4.999000 0.5582000       3.770000      0.6980000       1.228000      0.8938000
  1 1 1      22  -12    5 o    3.070000      0.5737000       3.270000 0.7999000       2.871000      0.8226000      0.3988000       1.147000
  1 1 1      22  -12    6 o    2.684000      0.5916000       2.594000 0.8593000       2.773000      0.8134000     -0.1791000       1.183000
  1 1 1      22  -12    7 o    2.065000      0.5671000       2.144000 0.8149000       1.987000      0.7889000      0.1571000       1.134000
  1 1 1      22  -12    8 o    5.869000      0.3367000       5.723000 0.4715000       6.014000      0.4807000     -0.2906000      0.6733000
  1 1 1      22  -12    9 o    3.836000      0.5000000       3.257000 0.7877000       4.415000      0.6161000      -1.158000       1.000000
  1 1 1      22  -12   10 o    3.251000      0.5511000       3.333000 0.7402000       3.168000      0.8166000      0.1657000       1.102000
  1 1 1      22  -12   11 o    2.286000      0.5761000       1.746000 0.7539000       2.826000      0.8714000      -1.080000       1.152000
  1 1 1      22  -12   12 o    4.649000      0.4548000       4.600000 0.5987000       4.699000      0.6848000     -0.9820000E-01  0.9096000
  1 1 1      22  -12   13 o    2.422000      0.6033000       2.803000 0.8441000       2.042000      0.8621000      0.7609000       1.207000
  1 1 1      22  -12   14 o    1.933000      0.5788000       1.945000 0.8021000       1.920000      0.8347000      0.2525000E-01   1.158000
  1 1 1      22  -12   15 o    2.736000      0.6508000       2.375000 0.8733000       3.097000      0.9652000     -0.7218000       1.302000
  1 1 1      22  -12   16 o    3.483000      0.6242000       3.829000 0.7872000       3.136000      0.9691000      0.6932000       1.248000
  1 1 1      22  -12   17 o    3.570000      0.6277000       3.935000 0.8110000       3.204000      0.9583000      0.7313000       1.255000
  1 1 1      22  -12   18 o    4.487000      0.6447000       5.125000 0.7687000       3.849000       1.035000       1.275000       1.289000
  1 1 1      22  -11    0 o    6.353000      0.3330000       6.487000 0.4825000       6.219000      0.4589000      0.2673000      0.6659000
  1 1 1      22  -11    1 o    5.060000      0.4023000       5.084000 0.5899000       5.036000      0.5472000      0.4763000E-01  0.8047000
  1 1 1      22  -11    2 o    11.15000      0.2612000       11.45000 0.3629000       10.86000      0.3759000      0.5944000      0.5225000
  1 1 1      22  -11    3 o    4.931000      0.3837000       4.727000 0.5744000       5.136000      0.5090000     -0.4085000      0.7674000
  1 1 1      22  -11    4 o    7.170000      0.2871000       7.340000 0.4060000       7.000000      0.4060000      0.3406000      0.5742000
  1 1 1      22  -11    5 o    2.351000      0.5627000       2.559000 0.8200000       2.144000      0.7708000      0.4148000       1.125000
  1 1 1      22  -11    6 f    2.760000      0.5545000       2.381000 0.8327000       3.138000      0.7323000     -0.7565000       1.109000
  1 1 1      22  -11    7 o    3.829000      0.4490000       4.189000 0.5788000       3.468000      0.6867000      0.7213000      0.8981000
  1 1 1      22  -11    8 o    3.253000      0.5216000       3.188000 0.7345000       3.318000      0.7409000     -0.1296000       1.043000
  1 1 1      22  -11    9 o    2.187000      0.5363000       2.724000 0.7914000       1.649000      0.7238000       1.075000       1.073000
  1 1 1      22  -11   10 o    3.799000      0.4750000       3.493000 0.6967000       4.104000      0.6459000     -0.6119000      0.9501000
  1 1 1      22  -11   11 o    5.109000      0.3660000       4.755000 0.5528000       5.464000      0.4800000     -0.7084000      0.7321000
  1 1 1      22  -11   12 o    4.332000      0.4607000       5.159000 0.4840000       3.505000      0.7840000       1.654000      0.9213000
  1 1 1      22  -11   13 o    2.233000      0.6001000       2.024000 0.8151000       2.441000      0.8808000     -0.4172000       1.200000
  1 1 1      22  -11   14 o    2.575000      0.6135000       2.508000 0.8405000       2.642000      0.8940000     -0.1348000       1.227000
  1 1 1      22  -11   15 o    2.925000      0.7357000       2.710000 0.9834000       3.140000       1.095000     -0.4296000       1.471000
  1 1 1      22  -11   16 o    3.342000      0.7023000       2.683000 0.9553000       4.002000       1.030000      -1.319000       1.405000
  1 1 1      22  -11   17 o    3.357000      0.5970000       3.365000 0.8095000       3.349000      0.8777000      0.1547000E-01   1.194000
  1 1 1      22  -11   18 o    2.463000      0.6520000       2.447000 0.8905000       2.480000      0.9528000     -0.3322000E-01   1.304000
  1 1 1      22  -11   19 o    2.335000      0.6147000       2.946000 0.9293000       1.724000      0.8048000       1.223000       1.229000
  1 1 1      22  -10    0 o    4.020000      0.4505000       4.180000 0.6564000       3.861000      0.6172000      0.3185000      0.9010000
  1 1 1      22  -10    1 o    8.404000      0.2829000       8.523000 0.3934000       8.285000      0.4068000      0.2378000      0.5659000
  1 1 1      22  -10    2 o    7.583000      0.2816000       7.361000 0.4110000       7.804000      0.3852000     -0.4424000      0.5633000
  1 1 1      22  -10    3 o    12.33000      0.2545000       12.24000 0.3564000       12.42000      0.3635000     -0.1810000      0.5091000
  1 1 1      22  -10    4 o    4.180000      0.4180000       4.148000 0.6206000       4.212000      0.5602000     -0.6419000E-01  0.8361000
  1 1 1      22  -10    5 o    4.262000      0.3933000       4.240000 0.5636000       4.284000      0.5488000     -0.4408000E-01  0.7867000
  1 1 1      22  -10    6 o    4.716000      0.3723000       4.055000 0.6079000       5.376000      0.4298000      -1.321000      0.7445000
  1 1 1      22  -10    7 o    4.229000      0.4105000       4.324000 0.5817000       4.135000      0.5794000      0.1890000      0.8210000
  1 1 1      22  -10    8 o    7.819000      0.2473000       7.993000 0.3456000       7.644000      0.3538000      0.3497000      0.4946000
  1 1 1      22  -10    9 o    4.718000      0.3476000       5.144000 0.4515000       4.291000      0.5287000      0.8532000      0.6952000
  1 1 1      22  -10   10 o    1.429000      0.4650000       1.374000 0.6389000       1.484000      0.6758000     -0.1092000      0.9299000
  1 1 1      22  -10   11 o    3.913000      0.4391000       4.213000 0.5593000       3.613000      0.6772000      0.6004000      0.8783000
  1 1 1      22  -10   12 o    2.818000      0.5450000       2.683000 0.7548000       2.952000      0.7864000     -0.2688000       1.090000
  1 1 1      22  -10   13 o    1.810000      0.5992000       1.667000 0.7842000       1.953000      0.9063000     -0.2862000       1.198000
  1 1 1      22  -10   14 o    2.973000      0.6631000       1.960000 0.8473000       3.986000       1.020000      -2.026000       1.326000
  1 1 1      22  -10   15 o    4.477000      0.4406000       4.654000 0.5662000       4.300000      0.6753000      0.3541000      0.8813000
  1 1 1      22  -10   16 o    1.877000      0.5677000       1.744000 0.7487000       2.010000      0.8535000     -0.2658000       1.135000
  1 1 1      22  -10   17 o    3.211000      0.7985000       3.405000 1.119000       3.018000       1.139000      0.3872000       1.597000
  1 1 1      22  -10   18 o    3.007000      0.8050000       3.572000 1.183000       2.443000       1.092000       1.128000       1.610000
  1 1 1      22  -10   19 o    2.458000      0.6341000       2.827000 0.8810000       2.090000      0.9123000      0.7369000       1.268000
  1 1 1      22  -10   20 o    3.335000      0.6352000       3.581000 0.8269000       3.089000      0.9645000      0.4927000       1.270000
  1 1 1      22  -10   21 o    2.695000      0.9070000       2.695000 0.9070000                  ?              ?              ?              ?
  1 1 1      22   -9    0 o    10.96000      0.2654000       10.97000 0.3762000       10.94000      0.3744000      0.2084000E-01  0.5307000
  1 1 1      22   -9    1 o    2.210000      0.5527000       1.883000 0.7744000       2.538000      0.7889000     -0.6549000       1.105000
  1 1 1      22   -9    2 o    10.49000      0.2556000       10.55000 0.3620000       10.43000      0.3610000      0.1221000      0.5113000
  1 1 1      22   -9    3 o    3.488000      0.4891000       3.538000 0.7091000       3.438000      0.6740000      0.1000000      0.9783000
  1 1 1      22   -9    4 o    3.609000      0.4703000       3.331000 0.7255000       3.887000      0.5986000     -0.5565000      0.9405000
  1 1 1      22   -9    5 o    3.405000      0.4445000       3.729000 0.5998000       3.081000      0.6562000      0.6489000      0.8890000
  1 1 1      22   -9    6 o    5.619000      0.3043000       5.466000 0.4414000       5.772000      0.4189000     -0.3058000      0.6085000
  1 1 1      22   -9    7 o    4.240000      0.3712000       4.698000 0.4987000       3.782000      0.5499000      0.9158000      0.7424000
  1 1 1      22   -9    8 o    2.906000      0.5722000       2.914000 0.8895000       2.898000      0.7198000      0.1589000E-01   1.144000
  1 1 1      22   -9    9 o    1.697000      0.4898000       2.028000 0.7536000       1.366000      0.6259000      0.6628000      0.9796000
  1 1 1      22   -9   10 o    7.071000      0.4797000       7.533000 0.5471000       6.608000      0.7880000      0.9250000      0.9593000
  1 1 1      22   -9   11 o    2.404000      0.7047000       2.144000 0.9029000       2.663000       1.082000     -0.5190000       1.409000
  1 1 1      22   -9   12 f    2.999000      0.4811000       2.142000 0.7738000       3.856000      0.5718000      -1.714000      0.9622000
  1 1 1      22   -9   13 o    1.837000      0.5096000       1.504000 0.6692000       2.171000      0.7687000     -0.6672000       1.019000
  1 1 1      22   -9   14 o    4.771000      0.4140000       4.277000 0.5510000       5.264000      0.6182000     -0.9864000      0.8281000
  1 1 1      22   -9   15 f    2.748000      0.6402000       1.972000 0.8711000       3.524000      0.9383000      -1.552000       1.280000
  1 1 1      22   -9   16 o    3.853000      0.6704000       4.461000 0.8438000       3.244000       1.042000       1.217000       1.341000
  1 1 1      22   -9   17 o    5.051000      0.4309000       5.805000 0.4634000       4.297000      0.7265000       1.508000      0.8618000
  1 1 1      22   -9   18 o    4.789000      0.4350000       5.088000 0.5335000       4.490000      0.6872000      0.5980000      0.8700000
  1 1 1      22   -9   19 o    2.275000      0.6292000       2.134000 0.8426000       2.416000      0.9347000     -0.2817000       1.258000
  1 1 1      22   -9   20 o    2.311000      0.5791000       2.891000 0.8372000       1.731000      0.8005000       1.160000       1.158000
  1 1 1      22   -9   21 o    4.413000      0.7918000       5.046000 1.340000       3.779000      0.8439000       1.267000       1.584000
  1 1 1      22   -9   22 f    1.756000      0.5487000       1.961000 0.8181000       1.550000      0.7315000      0.4109000       1.097000
  1 1 1      22   -8    0 o    13.53000      0.2688000       13.82000 0.3831000       13.25000      0.3773000      0.5642000      0.5377000
  1 1 1      22   -8    1 o    8.146000      0.2729000       8.526000 0.3862000       7.765000      0.3855000      0.7608000      0.5457000
  1 1 1      22   -8    2 o    3.580000      0.4679000       3.374000 0.7002000       3.786000      0.6207000     -0.4120000      0.9357000
  1 1 1      22   -8    3 o    8.363000      0.2533000       8.285000 0.3599000       8.440000      0.3567000     -0.1552000      0.5067000
  1 1 1      22   -8    4 o    2.346000      0.5485000       2.195000 0.7979000       2.496000      0.7529000     -0.3011000       1.097000
  1 1 1      22   -8    5 o    5.880000      0.2887000       5.918000 0.4213000       5.842000      0.3948000      0.7609000E-01  0.5774000
  1 1 1      22   -8    6 o    8.630000      0.2502000       8.444000 0.3523000       8.815000      0.3554000     -0.3705000      0.5004000
  1 1 1      22   -8    7 o    6.336000      0.2713000       6.306000 0.4009000       6.366000      0.3656000     -0.6032000E-01  0.5426000
  1 1 1      22   -8    8 o    9.763000      0.4034000       10.45000 0.4927000       9.073000      0.6390000       1.380000      0.8068000
  1 1 1      22   -8    9 o    10.05000      0.3972000       10.60000 0.4850000       9.511000      0.6291000       1.085000      0.7944000
  1 1 1      22   -8   10 o    4.118000      0.3716000       3.742000 0.5889000       4.493000      0.4532000     -0.7509000      0.7431000
  1 1 1      22   -8   11 o    5.135000      0.2974000       5.227000 0.4304000       5.042000      0.4104000      0.1848000      0.5947000
  1 1 1      22   -8   12 f    2.361000      0.5663000       2.665000 0.8485000       2.058000      0.7503000      0.6067000       1.133000
  1 1 1      22   -8   13 o    4.876000      0.3945000       4.647000 0.6060000       5.105000      0.5052000     -0.4585000      0.7890000
  1 1 1      22   -8   14 o    4.934000      0.3138000       5.037000 0.4263000       4.830000      0.4606000      0.2065000      0.6276000
  1 1 1      22   -8   15 o    4.419000      0.3986000       4.368000 0.5188000       4.469000      0.6054000     -0.1010000      0.7972000
  1 1 1      22   -8   16 f    5.730000      0.3204000       6.234000 0.3886000       5.226000      0.5095000       1.008000      0.6407000
  1 1 1      22   -8   17 o    4.378000      0.4317000       4.479000 0.5299000       4.277000      0.6818000      0.2021000      0.8635000
  1 1 1      22   -8   18 o    2.475000      0.6098000       2.165000 0.8090000       2.786000      0.9126000     -0.6208000       1.220000
  1 1 1      22   -8   19 f    2.780000      0.6191000       2.676000 0.8151000       2.885000      0.9321000     -0.2089000       1.238000
  1 1 1      22   -8   20 o    1.833000      0.5501000       2.256000 0.8592000       1.409000      0.6871000      0.8474000       1.100000
  1 1 1      22   -8   21 o    2.351000      0.6334000       2.712000 0.9104000       1.990000      0.8810000      0.7213000       1.267000
  1 1 1      22   -8   22 o    2.004000      0.5698000       2.404000 0.8591000       1.605000      0.7488000      0.7991000       1.140000
  1 1 1      22   -8   23 o    2.401000      0.6233000       2.347000 0.9094000       2.455000      0.8526000     -0.1084000       1.247000
  1 1 1      22   -7    0 o    3.653000      0.4647000       3.732000 0.6550000       3.575000      0.6594000      0.1567000      0.9295000
  1 1 1      22   -7    1 o    4.724000      0.3615000       4.740000 0.5414000       4.707000      0.4792000      0.3237000E-01  0.7230000
  1 1 1      22   -7    2 o    8.186000      0.2565000       8.228000 0.3721000       8.143000      0.3532000      0.8557000E-01  0.5131000
  1 1 1      22   -7    3 o    10.52000      0.2483000       10.72000 0.3494000       10.32000      0.3530000      0.4048000      0.4967000
  1 1 1      22   -7    4 o    7.682000      0.2621000       8.036000 0.3712000       7.328000      0.3702000      0.7083000      0.5242000
  1 1 1      22   -7    5 o    1.365000      0.4451000       1.229000 0.5916000       1.501000      0.6651000     -0.2715000      0.8901000
  1 1 1      22   -7    6 o    4.037000      0.3889000       4.427000 0.5173000       3.647000      0.5808000      0.7792000      0.7778000
  1 1 1      22   -7    7 o    2.329000      0.6720000       2.268000 0.8935000       2.390000       1.004000     -0.1226000       1.344000
  1 1 1      22   -7    8 o    5.299000      0.2928000       5.424000 0.4333000       5.174000      0.3938000      0.2490000      0.5855000
  1 1 1      22   -7    9 o    3.560000      0.3930000       3.678000 0.5672000       3.441000      0.5441000      0.2375000      0.7860000
  1 1 1      22   -7   10 o    7.354000      0.2949000       7.322000 0.4528000       7.385000      0.3778000     -0.6271000E-01  0.5897000
  1 1 1      22   -7   11 o    2.305000      0.5333000       1.934000 0.7918000       2.675000      0.7147000     -0.7405000       1.067000
  1 1 1      22   -7   12 o    3.378000      0.4074000       3.046000 0.6403000       3.710000      0.5039000     -0.6634000      0.8148000
  1 1 1      22   -7   13 o    7.989000      0.2273000       8.319000 0.3190000       7.659000      0.3239000      0.6601000      0.4546000
  1 1 1      22   -7   14 o    4.334000      0.3326000       4.552000 0.4378000       4.116000      0.5007000      0.4366000      0.6651000
  1 1 1      22   -7   15 o    4.088000      0.3793000       4.368000 0.4749000       3.807000      0.5915000      0.5602000      0.7585000
  1 1 1      22   -7   16 o    5.067000      0.3617000       5.875000 0.3883000       4.259000      0.6105000       1.616000      0.7235000
  1 1 1      22   -7   17 o    1.979000      0.5271000       2.247000 0.7465000       1.711000      0.7443000      0.5360000       1.054000
  1 1 1      22   -7   18 o    2.424000      0.5843000       2.501000 0.7976000       2.346000      0.8540000      0.1545000       1.169000
  1 1 1      22   -7   19 o    2.587000      0.5779000       2.942000 0.7552000       2.232000      0.8749000      0.7096000       1.156000
  1 1 1      22   -7   20 o    2.750000      0.6055000       3.150000 0.8010000       2.350000      0.9084000      0.7999000       1.211000
  1 1 1      22   -7   21 o    1.842000      0.5711000       1.752000 0.7510000       1.931000      0.8604000     -0.1791000       1.142000
  1 1 1      22   -7   22 o    2.851000      0.5313000       3.717000 0.6946000       1.985000      0.8042000       1.732000       1.063000
  1 1 1      22   -7   23 o    4.606000      0.4349000       4.749000 0.5958000       4.462000      0.6338000      0.2871000      0.8699000
  1 1 1      22   -7   24 o    1.410000      0.4559000       1.174000 0.5727000       1.647000      0.7096000     -0.4728000      0.9118000
  1 1 1      22   -6    0 f    3.564000      0.4440000       4.137000 0.6201000       2.992000      0.6356000       1.145000      0.8880000
  1 1 1      22   -6    1 o    1.911000      0.5032000       1.677000 0.7273000       2.144000      0.6956000     -0.4663000       1.006000
  1 1 1      22   -6    2 o    3.735000      0.3982000       3.783000 0.6274000       3.686000      0.4904000      0.9698000E-01  0.7963000
  1 1 1      22   -6    3 o    9.582000      0.2795000       8.961000 0.3620000       10.20000      0.4259000      -1.243000      0.5590000
  1 1 1      22   -6    4 o    4.838000      0.3425000       5.002000 0.4947000       4.673000      0.4739000      0.3288000      0.6850000
  1 1 1      22   -6    5 o    5.127000      0.5581000       5.010000 0.6721000       5.244000      0.8911000     -0.2343000       1.116000
  1 1 1      22   -6    6 o    6.249000      0.4799000       6.489000 0.5537000       6.010000      0.7841000      0.4790000      0.9599000
  1 1 1      22   -6    7 o    4.263000      0.3550000       4.357000 0.5144000       4.169000      0.4895000      0.1878000      0.7101000
  1 1 1      22   -6    8 o    5.138000      0.3048000       4.982000 0.4591000       5.293000      0.4009000     -0.3117000      0.6095000
  1 1 1      22   -6    9 o    5.028000      0.3615000       5.525000 0.5469000       4.531000      0.4729000      0.9949000      0.7230000
  1 1 1      22   -6   10 o    9.627000      0.2274000       9.419000 0.3146000       9.834000      0.3285000     -0.4149000      0.4548000
  1 1 1      22   -6   11 o    6.180000      0.2478000       6.092000 0.3591000       6.268000      0.3415000     -0.1757000      0.4955000
  1 1 1      22   -6   12 o    2.826000      0.4466000       2.726000 0.6555000       2.925000      0.6068000     -0.1992000      0.8932000
  1 1 1      22   -6   13 o    7.183000      0.2235000       7.050000 0.3153000       7.316000      0.3170000     -0.2661000      0.4471000
  1 1 1      22   -6   14 o    5.208000      0.2730000       4.940000 0.3973000       5.476000      0.3744000     -0.5353000      0.5459000
  1 1 1      22   -6   15 f    1.226000      0.4053000       1.186000 0.5573000       1.267000      0.5887000     -0.8092000E-01  0.8107000
  1 1 1      22   -6   16 o    2.014000      0.5169000       2.085000 0.7042000       1.944000      0.7570000      0.1412000       1.034000
  1 1 1      22   -6   17 o    4.120000      0.3914000       4.135000 0.4920000       4.105000      0.6090000      0.2991000E-01  0.7829000
  1 1 1      22   -6   18 o    5.791000      0.3204000       6.276000 0.3684000       5.307000      0.5242000      0.9691000      0.6407000
  1 1 1      22   -6   19 o    2.172000      0.5816000       2.214000 0.7855000       2.131000      0.8580000      0.8350000E-01   1.163000
  1 1 1      22   -6   20 o    2.786000      0.6148000       2.774000 0.8012000       2.797000      0.9327000     -0.2305000E-01   1.230000
  1 1 1      22   -6   21 o    2.081000      0.5859000       1.972000 0.7894000       2.190000      0.8659000     -0.2178000       1.172000
  1 1 1      22   -6   22 o    1.695000      0.7301000       1.695000 0.7301000                  ?              ?              ?              ?
  1 1 1      22   -6   23 o    3.155000      0.5827000       3.357000 0.7623000       2.954000      0.8815000      0.4030000       1.165000
  1 1 1      22   -6   24 o    3.140000      0.7014000                  ?       ?   3.140000      0.7014000                  ?              ?
  1 1 1      22   -6   25 o    1.883000      0.4857000       2.283000 0.7319000       1.483000      0.6386000      0.7999000      0.9714000
  1 1 1      22   -5    0 o    7.397000      0.2529000       7.566000 0.3887000       7.227000      0.3238000      0.3381000      0.5059000
  1 1 1      22   -5    1 o    6.586000      0.2653000       6.432000 0.4149000       6.739000      0.3307000     -0.3069000      0.5306000
  1 1 1      22   -5    2 o    4.519000      0.3390000       4.551000 0.5362000       4.487000      0.4148000      0.6459000E-01  0.6779000
  1 1 1      22   -5    3 o    7.332000      0.3416000       7.382000 0.5192000       7.282000      0.4442000      0.1008000      0.6833000
  1 1 1      22   -5    4 o    10.89000      0.3251000       10.69000 0.4785000       11.10000      0.4402000     -0.4102000      0.6502000
  1 1 1      22   -5    5 o    9.726000      0.2293000       9.637000 0.3445000       9.814000      0.3028000     -0.1766000      0.4586000
  1 1 1      22   -5    6 o    6.600000      0.2425000       6.854000 0.3761000       6.346000      0.3061000      0.5079000      0.4850000
  1 1 1      22   -5    7 o    10.38000      0.2997000       10.55000 0.4463000       10.20000      0.4001000      0.3547000      0.5994000
  1 1 1      22   -5    8 o    10.27000      0.2955000       10.28000 0.4376000       10.26000      0.3973000      0.2271000E-01  0.5911000
  1 1 1      22   -5    9 o    10.96000      0.2285000       10.89000 0.3198000       11.04000      0.3264000     -0.1488000      0.4570000
  1 1 1      22   -5   10 o    5.414000      0.2737000       5.199000 0.4104000       5.628000      0.3621000     -0.4290000      0.5474000
  1 1 1      22   -5   11 o    6.478000      0.2393000       6.456000 0.3389000       6.499000      0.3380000     -0.4299000E-01  0.4786000
  1 1 1      22   -5   12 o    8.102000      0.2184000       7.984000 0.3113000       8.220000      0.3065000     -0.2359000      0.4368000
  1 1 1      22   -5   13 o    6.714000      0.2254000       6.841000 0.3173000       6.587000      0.3201000      0.2541000      0.4507000
  1 1 1      22   -5   14 o    8.123000      0.2093000       7.830000 0.2992000       8.415000      0.2928000     -0.5858000      0.4186000
  1 1 1      22   -5   15 o    3.692000      0.3438000       3.733000 0.4755000       3.651000      0.4967000      0.8211000E-01  0.6877000
  1 1 1      22   -5   16 o    3.567000      0.3675000       3.941000 0.4333000       3.193000      0.5937000      0.7482000      0.7350000
  1 1 1      22   -5   17 o    7.997000      0.2322000       8.180000 0.2988000       7.814000      0.3555000      0.3661000      0.4644000
  1 1 1      22   -5   18 o    10.54000      0.2630000       11.05000 0.2958000       10.03000      0.4349000       1.025000      0.5259000
  1 1 1      22   -5   19 o    1.680000      0.5264000       1.581000 0.6939000       1.779000      0.7919000     -0.1980000       1.053000
  1 1 1      22   -5   20 o    1.529000      0.4804000       1.765000 0.7253000       1.294000      0.6302000      0.4707000      0.9609000
  1 1 1      22   -5   21 o    2.529000      0.5703000       2.878000 0.7442000       2.180000      0.8644000      0.6982000       1.141000
  1 1 1      22   -5   22 o    1.520000      0.4845000       1.860000 0.7765000       1.180000      0.5798000      0.6796000      0.9691000
  1 1 1      22   -5   23 o    1.601000      0.5143000       1.455000 0.6698000       1.748000      0.7806000     -0.2928000       1.029000
  1 1 1      22   -5   24 o    2.096000      0.8121000                  ?       ?   2.096000      0.8121000                  ?              ?
  1 1 1      22   -5   25 o    2.344000      0.5678000       2.257000 0.8277000       2.430000      0.7774000     -0.1729000       1.136000
  1 1 1      22   -5   26 o    1.947000      0.5369000       1.564000 0.7104000       2.329000      0.8053000     -0.7648000       1.074000
  1 1 1      22   -4    0 f    1.306000      0.4278000       1.315000 0.6218000       1.298000      0.5879000      0.1698000E-01  0.8557000
  1 1 1      22   -4    1 o    6.276000      0.2762000       5.840000 0.4440000       6.713000      0.3288000     -0.8734000      0.5525000
  1 1 1      22   -4    2 o    9.338000      0.3261000       9.364000 0.4745000       9.312000      0.4473000      0.5167000E-01  0.6521000
  1 1 1      22   -4    3 o    5.586000      0.3994000       5.856000 0.5758000       5.316000      0.5537000      0.5393000      0.7988000
  1 1 1      22   -4    4 o    5.832000      0.2776000       5.432000 0.4469000       6.232000      0.3295000     -0.7995000      0.5552000
  1 1 1      22   -4    5 o    4.777000      0.3067000       5.120000 0.4602000       4.434000      0.4056000      0.6865000      0.6135000
  1 1 1      22   -4    6 o    7.027000      0.3362000       6.717000 0.5411000       7.336000      0.3992000     -0.6193000      0.6724000
  1 1 1      22   -4    7 o    8.535000      0.2242000       8.580000 0.3337000       8.490000      0.2995000      0.9089000E-01  0.4484000
  1 1 1      22   -4    8 o    12.46000      0.2264000       12.85000 0.3342000       12.07000      0.3054000      0.7876000      0.4528000
  1 1 1      22   -4    9 o    17.19000      0.2656000       17.27000 0.3819000       17.11000      0.3692000      0.1554000      0.5312000
  1 1 1      22   -4   10 o    15.66000      0.2477000       15.68000 0.3570000       15.64000      0.3435000      0.3746000E-01  0.4954000
  1 1 1      22   -4   11 o    5.314000      0.2449000       5.437000 0.3784000       5.191000      0.3109000      0.2453000      0.4897000
  1 1 1      22   -4   12 o    6.830000      0.2398000       6.898000 0.3243000       6.761000      0.3532000      0.1366000      0.4795000
  1 1 1      22   -4   13 o    9.112000      0.2064000       9.207000 0.2947000       9.017000      0.2889000      0.1904000      0.4127000
  1 1 1      22   -4   14 o    6.831000      0.2127000       6.676000 0.3097000       6.985000      0.2917000     -0.3089000      0.4254000
  1 1 1      22   -4   15 o    11.51000      0.2137000       11.66000 0.2956000       11.37000      0.3086000      0.2927000      0.4274000
  1 1 1      22   -4   16 o    3.854000      0.3151000       4.040000 0.4272000       3.667000      0.4634000      0.3728000      0.6302000
  1 1 1      22   -4   17 o    11.39000      0.2438000       11.01000 0.2883000       11.78000      0.3934000     -0.7732000      0.4877000
  1 1 1      22   -4   18 o    2.849000      0.4890000       3.513000 0.5713000       2.186000      0.7938000       1.328000      0.9780000
  1 1 1      22   -4   19 o    2.802000      0.5245000       2.917000 0.6595000       2.687000      0.8157000      0.2301000       1.049000
  1 1 1      22   -4   20 o    2.476000      0.5751000       2.355000 0.7518000       2.598000      0.8706000     -0.2433000       1.150000
  1 1 1      22   -4   21 o    4.570000      0.4723000       4.510000 0.5676000       4.631000      0.7550000     -0.1209000      0.9446000
  1 1 1      22   -4   22 o    2.265000      0.5872000       2.513000 0.8022000       2.016000      0.8576000      0.4975000       1.174000
  1 1 1      22   -4   23 o    3.015000      0.5855000       3.187000 0.7864000       2.843000      0.8676000      0.3433000       1.171000
  1 1 1      22   -4   24 o    1.263000      0.4194000       1.193000 0.5703000       1.333000      0.6150000     -0.1398000      0.8387000
  1 1 1      22   -4   25 o    2.466000      0.4986000       1.835000 0.6784000       3.097000      0.7308000      -1.262000      0.9972000
  1 1 1      22   -4   26 o    3.095000      0.4845000       3.211000 0.7221000       2.980000      0.6462000      0.2311000      0.9690000
  1 1 1      22   -3    0 o    11.14000      0.2387000       11.33000 0.3535000       10.95000      0.3208000      0.3733000      0.4773000
  1 1 1      22   -3    1 o    15.66000      0.3736000       15.85000 0.5383000       15.48000      0.5183000      0.3728000      0.7473000
  1 1 1      22   -3    2 o    12.69000      0.3382000       12.84000 0.4963000       12.54000      0.4597000      0.2981000      0.6764000
  1 1 1      22   -3    3 o    7.097000      0.2464000       6.949000 0.3712000       7.244000      0.3242000     -0.2956000      0.4928000
  1 1 1      22   -3    4 o    7.687000      0.3219000       7.706000 0.4984000       7.668000      0.4075000      0.3822000E-01  0.6438000
  1 1 1      22   -3    5 o    15.37000      0.3578000       15.37000 0.5250000       15.37000      0.4862000     -0.7781000E-02  0.7155000
  1 1 1      22   -3    6 o    7.811000      0.2271000       7.783000 0.3404000       7.839000      0.3007000     -0.5582000E-01  0.4542000
  1 1 1      22   -3    7 o    14.72000      0.2453000       14.77000 0.3556000       14.67000      0.3380000      0.1078000      0.4906000
  1 1 1      22   -3    8 o    10.74000      0.2140000       10.68000 0.3158000       10.80000      0.2888000     -0.1122000      0.4279000
  1 1 1      22   -3    9 o    13.04000      0.2264000       13.16000 0.3317000       12.92000      0.3080000      0.2369000      0.4527000
  1 1 1      22   -3   10 o    5.361000      0.2455000       5.419000 0.3779000       5.304000      0.3134000      0.1148000      0.4909000
  1 1 1      22   -3   11 o    6.181000      0.2216000       6.057000 0.3386000       6.306000      0.2859000     -0.2499000      0.4432000
  1 1 1      22   -3   12 o    8.150000      0.2014000       7.865000 0.3017000       8.435000      0.2669000     -0.5703000      0.4028000
  1 1 1      22   -3   13 o    4.516000      0.2497000       4.513000 0.3905000       4.519000      0.3114000     -0.5425000E-02  0.4994000
  1 1 1      22   -3   14 o    6.611000      0.1967000       6.776000 0.2930000       6.447000      0.2625000      0.3294000      0.3934000
  1 1 1      22   -3   15 o    15.91000      0.2399000       16.00000 0.3449000       15.82000      0.3335000      0.1805000      0.4798000
  1 1 1      22   -3   16 o    6.014000      0.2034000       6.106000 0.3077000       5.922000      0.2662000      0.1841000      0.4068000
  1 1 1      22   -3   17 o    7.771000      0.1902000       7.689000 0.2806000       7.854000      0.2569000     -0.1656000      0.3805000
  1 1 1      22   -3   18 o    6.972000      0.2002000       7.252000 0.2837000       6.693000      0.2827000      0.5594000      0.4005000
  1 1 1      22   -3   19 o    2.651000      0.8341000       2.651000 0.8341000                  ?              ?              ?              ?
  1 1 1      22   -3   20 o    3.015000      0.7756000       3.015000 0.7756000                  ?              ?              ?              ?
  1 1 1      22   -3   21 o    2.593000      0.6432000       2.123000 0.9311000       3.064000      0.8877000     -0.9410000       1.286000
  1 1 1      22   -3   22 o    3.015000      0.5745000       3.207000 0.6905000       2.823000      0.9185000      0.3842000       1.149000
  1 1 1      22   -3   23 o    3.698000       1.057000       3.698000 1.057000                  ?              ?              ?              ?
  1 1 1      22   -3   24 o    2.877000      0.5367000       3.109000 0.9027000       2.644000      0.5807000      0.4651000       1.073000
  1 1 1      22   -3   25 o    1.584000      0.4237000       1.899000 0.6390000       1.269000      0.5567000      0.6302000      0.8475000
  1 1 1      22   -3   26 o    3.230000      0.3131000       2.926000 0.5091000       3.534000      0.3645000     -0.6079000      0.6261000
  1 1 1      22   -3   27 o    1.415000      0.4090000       1.444000 0.5955000       1.387000      0.5608000      0.5730000E-01  0.8180000
  1 1 1      22   -2    0 o    1.729000      0.5420000       1.837000 0.7950000       1.621000      0.7370000      0.2157000       1.084000
  1 1 1      22   -2    1 o    4.245000      0.3329000       4.482000 0.5101000       4.007000      0.4277000      0.4752000      0.6657000
  1 1 1      22   -2    2 o    4.198000      0.3395000       4.589000 0.5076000       3.807000      0.4508000      0.7825000      0.6789000
  1 1 1      22   -2    3 o    1.789000      0.5238000       1.510000 0.7185000       2.067000      0.7625000     -0.5573000       1.048000
  1 1 1      22   -2    4 o    10.63000      0.3212000       10.40000 0.4835000       10.85000      0.4230000     -0.4496000      0.6425000
  1 1 1      22   -2    5 o    16.80000      0.2675000       16.73000 0.3852000       16.88000      0.3712000     -0.1449000      0.5350000
  1 1 1      22   -2    6 o    6.568000      0.2418000       6.441000 0.3689000       6.696000      0.3126000     -0.2550000      0.4835000
  1 1 1      22   -2    7 o    9.465000      0.2150000       9.461000 0.3145000       9.468000      0.2933000     -0.6954000E-02  0.4301000
  1 1 1      22   -2    8 o    7.227000      0.2157000       7.666000 0.3171000       6.789000      0.2926000      0.8765000      0.4315000
  1 1 1      22   -2    9 o    10.00000      0.2086000       10.08000 0.3106000       9.919000      0.2784000      0.1613000      0.4171000
  1 1 1      22   -2   10 o    8.668000      0.2026000       8.686000 0.3037000       8.650000      0.2683000      0.3540000E-01  0.4052000
  1 1 1      22   -2   11 o    10.05000      0.2038000       9.833000 0.2991000       10.26000      0.2770000     -0.4306000      0.4076000
  1 1 1      22   -2   12 o    9.057000      0.2009000       8.855000 0.2986000       9.260000      0.2689000     -0.4046000      0.4018000
  1 1 1      22   -2   13 o    18.06000      0.2675000       17.65000 0.3761000       18.47000      0.3806000     -0.8147000      0.5350000
  1 1 1      22   -2   14 o    11.90000      0.2042000       11.72000 0.2936000       12.08000      0.2838000     -0.3602000      0.4083000
  1 1 1      22   -2   15 o    7.616000      0.1879000       7.842000 0.2767000       7.389000      0.2544000      0.4526000      0.3758000
  1 1 1      22   -2   16 o    8.191000      0.1864000       8.072000 0.2813000       8.311000      0.2447000     -0.2392000      0.3729000
  1 1 1      22   -2   17 o    4.105000      0.2519000       3.896000 0.4020000       4.315000      0.3036000     -0.4190000      0.5037000
  1 1 1      22   -2   18 o    4.353000      0.3785000       4.689000 0.5591000       4.016000      0.5104000      0.6729000      0.7570000
  1 1 1      22   -2   19 o    5.144000      0.2357000       4.805000 0.3536000       5.483000      0.3118000     -0.6782000      0.4714000
  1 1 1      22   -2   20 o    6.186000      0.2234000       5.984000 0.3238000       6.388000      0.3080000     -0.4041000      0.4469000
  1 1 1      22   -2   21 o    7.687000      0.3733000       8.148000 0.4509000       7.225000      0.5949000      0.9237000      0.7465000
  1 1 1      22   -2   22 o    4.079000      0.7209000       5.019000 0.8611000       3.138000       1.157000       1.882000       1.442000
  1 1 1      22   -2   23 o    2.409000      0.7358000       2.409000 0.7358000                  ?              ?              ?              ?
  1 1 1      22   -2   24 o    4.157000      0.2752000       4.261000 0.4065000       4.053000      0.3709000      0.2082000      0.5503000
  1 1 1      22   -2   25 o    4.938000      0.2590000                  ?       ?   4.938000      0.2590000                  ?              ?
  1 1 1      22   -2   26 o    1.936000      0.3952000       2.257000 0.5790000       1.615000      0.5380000      0.6419000      0.7903000
  1 1 1      22   -2   27 o    1.531000      0.3781000       1.944000 0.5814000       1.118000      0.4836000      0.8261000      0.7563000
  1 1 1      22   -2   28 o    3.390000      0.4804000       3.390000 0.4804000                  ?              ?              ?              ?
  1 1 1      22   -1    0 o    2.204000      0.4736000       2.825000 0.7108000       1.584000      0.6262000       1.241000      0.9473000
  1 1 1      22   -1    1 o    4.371000      0.3327000       4.502000 0.5095000       4.239000      0.4279000      0.2628000      0.6653000
  1 1 1      22   -1    2 o    5.376000      0.4329000       5.198000 0.7059000       5.553000      0.5013000     -0.3549000      0.8658000
  1 1 1      22   -1    3 o    10.32000      0.3209000       11.09000 0.4932000       9.553000      0.4107000       1.536000      0.6418000
  1 1 1      22   -1    4 o    4.250000      0.3542000       3.379000 0.6047000       5.120000      0.3689000      -1.742000      0.7084000
  1 1 1      22   -1    5 o    7.826000      0.2243000       7.762000 0.3381000       7.889000      0.2948000     -0.1273000      0.4486000
  1 1 1      22   -1    6 o    19.98000      0.2981000       20.32000 0.4312000       19.64000      0.4117000      0.6869000      0.5962000
  1 1 1      22   -1    7 o    11.53000      0.2205000       11.56000 0.3223000       11.49000      0.3009000      0.7440000E-01  0.4409000
  1 1 1      22   -1    8 o    10.01000      0.2113000       10.12000 0.3131000       9.905000      0.2838000      0.2181000      0.4226000
  1 1 1      22   -1    9 o    16.38000      0.2561000       16.58000 0.3714000       16.19000      0.3529000      0.3943000      0.5123000
  1 1 1      22   -1   10 o    3.207000      0.3804000       2.946000 0.6282000       3.468000      0.4292000     -0.5220000      0.7608000
  1 1 1      22   -1   11 o    10.59000      0.2075000       10.33000 0.3037000       10.84000      0.2829000     -0.5131000      0.4150000
  1 1 1      22   -1   12 o    8.219000      0.1978000       8.292000 0.2975000       8.147000      0.2609000      0.1449000      0.3957000
  1 1 1      22   -1   13 o    9.525000      0.1989000       9.476000 0.2958000       9.573000      0.2661000     -0.9704000E-01  0.3978000
  1 1 1      22   -1   14 o    7.447000      0.1953000       7.396000 0.2900000       7.499000      0.2617000     -0.1031000      0.3906000
  1 1 1      22   -1   15 o    5.452000      0.2167000       5.352000 0.3318000       5.552000      0.2790000     -0.2007000      0.4335000
  1 1 1      22   -1   16 o    7.571000      0.2818000       7.486000 0.4072000       7.655000      0.3896000     -0.1687000      0.5636000
  1 1 1      22   -1   17 o    3.622000      0.4289000       3.612000 0.6392000       3.632000      0.5720000     -0.1911000E-01  0.8577000
  1 1 1      22   -1   18 o    2.716000      0.3419000       2.658000 0.5195000       2.775000      0.4447000     -0.1175000      0.6839000
  1 1 1      22   -1   19 o    6.227000      0.1863000       6.217000 0.2703000       6.237000      0.2563000     -0.1966000E-01  0.3726000
  1 1 1      22   -1   20 o    2.693000      0.5298000       2.189000 0.7650000       3.197000      0.7332000      -1.008000       1.060000
  1 1 1      22   -1   21 o    8.473000      0.2061000       8.441000 0.2856000       8.504000      0.2972000     -0.6336000E-01  0.4122000
  1 1 1      22   -1   22 o    5.420000      0.2920000       5.023000 0.4197000       5.817000      0.4061000     -0.7937000      0.5840000
  1 1 1      22   -1   23 o    2.088000      0.4810000       2.457000 0.7139000       1.720000      0.6449000      0.7369000      0.9621000
  1 1 1      22   -1   24 o    3.492000      0.3173000       3.411000 0.4949000       3.572000      0.3972000     -0.1614000      0.6346000
  1 1 1      22   -1   25 o    2.727000      0.2752000       2.711000 0.4031000       2.743000      0.3748000     -0.3264000E-01  0.5504000
  1 1 1      22   -1   26 o    1.715000      0.3773000       1.935000 0.5688000       1.495000      0.4959000      0.4405000      0.7546000
  1 1 1      22   -1   27 o    1.946000      0.3426000       1.622000 0.5484000       2.270000      0.4107000     -0.6472000      0.6851000
  1 1 1      22    0    0 f    2.396000      0.4876000       2.596000 0.6816000       2.196000      0.6975000      0.4005000      0.9752000
  1 1 1      22    0    1 o    2.577000      0.5768000       2.289000 0.7757000       2.866000      0.8539000     -0.5764000       1.154000
  1 1 1      22    0    2 o    1.627000      0.7090000                  ?       ?   1.627000      0.7090000                  ?              ?
  1 1 1      22    0    3 o    9.608000      0.2249000       9.253000 0.3277000       9.963000      0.3080000     -0.7100000      0.4497000
  1 1 1      22    0    4 o    11.21000      0.2241000       11.18000 0.3279000       11.24000      0.3056000     -0.6069000E-01  0.4482000
  1 1 1      22    0    5 o    6.219000      0.2423000       5.836000 0.3756000       6.602000      0.3062000     -0.7659000      0.4846000
  1 1 1      22    0    6 o    11.17000      0.2210000       11.51000 0.3257000       10.83000      0.2987000      0.6760000      0.4419000
  1 1 1      22    0    7 f    4.353000      0.3397000       4.630000 0.4279000       4.076000      0.5276000      0.5538000      0.6793000
  1 1 1      22    0    8 o    7.269000      0.2125000       7.171000 0.3175000       7.368000      0.2824000     -0.1968000      0.4249000
  1 1 1      22    0    9 o    10.94000      0.2099000       11.12000 0.3062000       10.76000      0.2873000      0.3554000      0.4199000
  1 1 1      22    0   10 o    5.501000      0.2333000       5.448000 0.3535000       5.554000      0.3045000     -0.1068000      0.4666000
  1 1 1      22    0   11 o    6.339000      0.2163000       6.253000 0.3291000       6.424000      0.2808000     -0.1705000      0.4326000
  1 1 1      22    0   12 o    6.537000      0.2085000       6.255000 0.3197000       6.820000      0.2679000     -0.5651000      0.4171000
  1 1 1      22    0   13 o    12.36000      0.2108000       12.68000 0.3097000       12.03000      0.2859000      0.6412000      0.4215000
  1 1 1      22    0   14 f    16.51000      0.2490000       16.43000 0.3555000       16.59000      0.3488000     -0.1591000      0.4980000
  1 1 1      22    0   15 o    4.641000      0.3679000       4.308000 0.5924000       4.974000      0.4364000     -0.6657000      0.7357000
  1 1 1      22    0   16 o    2.585000      0.4450000       2.869000 0.7734000       2.301000      0.4402000      0.5678000      0.8899000
  1 1 1      22    0   17 o    7.685000      0.1783000       8.180000 0.2625000       7.189000      0.2414000      0.9909000      0.3566000
  1 1 1      22    0   18 o    8.074000      0.2243000       8.183000 0.3319000       7.964000      0.3019000      0.2187000      0.4487000
  1 1 1      22    0   19 o    10.61000      0.2386000       10.64000 0.3423000       10.58000      0.3326000      0.6096000E-01  0.4772000
  1 1 1      22    0   20 o    8.813000      0.1753000       8.891000 0.2496000       8.735000      0.2463000      0.1553000      0.3507000
  1 1 1      22    0   21 o    6.815000      0.1992000       6.619000 0.2735000       7.012000      0.2897000     -0.3926000      0.3984000
  1 1 1      22    0   22 o    7.220000      0.2329000       7.025000 0.2973000       7.416000      0.3587000     -0.3908000      0.4659000
  1 1 1      22    0   23 o    1.901000      0.4737000       2.087000 0.6954000       1.714000      0.6435000      0.3724000      0.9475000
  1 1 1      22    0   24 o    3.087000      0.3666000       2.547000 0.5626000       3.628000      0.4702000      -1.080000      0.7332000
  1 1 1      22    0   25 o    1.616000      0.3620000       1.838000 0.5223000       1.395000      0.5014000      0.4430000      0.7240000
  1 1 1      22    0   26 o    1.349000      0.3640000       1.105000 0.4803000       1.593000      0.5470000     -0.4882000      0.7279000
  1 1 1      22    1    0 o    6.517000      0.2398000       6.483000 0.3354000       6.552000      0.3428000     -0.6891000E-01  0.4796000
  1 1 1      22    1    1 o    2.948000      0.5414000       2.788000 0.7782000       3.108000      0.7529000     -0.3205000       1.083000
  1 1 1      22    1    2 o    3.632000      0.3399000       3.712000 0.4491000       3.551000      0.5102000      0.1619000      0.6797000
  1 1 1      22    1    3 o    6.282000      0.2353000       6.086000 0.3430000       6.478000      0.3223000     -0.3914000      0.4706000
  1 1 1      22    1    4 o    7.052000      0.2197000       6.911000 0.3104000       7.193000      0.3111000     -0.2816000      0.4395000
  1 1 1      22    1    5 o    5.159000      0.2541000       5.433000 0.3379000       4.884000      0.3796000      0.5490000      0.5082000
  1 1 1      22    1    6 o    6.760000      0.2824000       7.160000 0.4639000       6.361000      0.3221000      0.7991000      0.5648000
  1 1 1      22    1    7 o    4.266000      0.2947000       4.135000 0.4571000       4.398000      0.3721000     -0.2634000      0.5894000
  1 1 1      22    1    8 o    1.581000      0.3998000       1.045000 0.5061000       2.116000      0.6190000      -1.071000      0.7996000
  1 1 1      22    1    9 o    8.288000      0.2054000       8.366000 0.3042000       8.209000      0.2761000      0.1566000      0.4108000
  1 1 1      22    1   10 o    6.770000      0.2151000       6.542000 0.3316000       6.998000      0.2741000     -0.4558000      0.4302000
  1 1 1      22    1   11 o    4.446000      0.2715000       4.647000 0.4016000       4.246000      0.3655000      0.4007000      0.5431000
  1 1 1      22    1   12 o    11.86000      0.2113000       12.09000 0.3101000       11.64000      0.2870000      0.4484000      0.4225000
  1 1 1      22    1   13 o    23.37000      0.3306000       23.50000 0.4732000       23.23000      0.4618000      0.2648000      0.6612000
  1 1 1      22    1   14 f    18.99000      0.3951000       18.84000 0.5585000       19.14000      0.5591000     -0.3028000      0.7903000
  1 1 1      22    1   15 f    8.313000      0.1848000       8.422000 0.2730000       8.204000      0.2493000      0.2181000      0.3697000
  1 1 1      22    1   16 o    4.239000      0.2467000       4.376000 0.3742000       4.102000      0.3218000      0.2736000      0.4935000
  1 1 1      22    1   17 o    5.341000      0.2578000       5.788000 0.3844000       4.893000      0.3437000      0.8951000      0.5157000
  1 1 1      22    1   18 o    4.606000      0.2039000       4.678000 0.3079000       4.533000      0.2673000      0.1452000      0.4077000
  1 1 1      22    1   19 o    4.568000      0.2022000       4.726000 0.2982000       4.409000      0.2732000      0.3176000      0.4044000
  1 1 1      22    1   20 f    2.705000      0.3215000       2.248000 0.5315000       3.161000      0.3618000     -0.9138000      0.6430000
  1 1 1      22    1   21 o    2.518000      0.3739000       2.627000 0.4974000       2.408000      0.5582000      0.2183000      0.7477000
  1 1 1      22    1   22 f    6.679000      0.1995000       6.741000 0.2750000       6.618000      0.2891000      0.1235000      0.3990000
  1 1 1      22    1   23 o    1.417000      0.4217000       1.284000 0.5833000       1.550000      0.6092000     -0.2662000      0.8435000
  1 1 1      22    1   24 o    2.748000      0.2935000       2.649000 0.4743000       2.846000      0.3459000     -0.1972000      0.5871000
  1 1 1      22    2    0 o    13.11000      0.3343000       13.15000 0.4661000       13.06000      0.4794000      0.9204000E-01  0.6686000
  1 1 1      22    2    1 o    14.46000      0.2481000       14.58000 0.3502000       14.34000      0.3515000      0.2427000      0.4962000
  1 1 1      22    2    2 o    2.203000      0.4836000       2.217000 0.6847000       2.190000      0.6832000      0.2687000E-01  0.9673000
  1 1 1      22    2    3 o    15.97000      0.2569000       15.98000 0.3650000       15.95000      0.3617000      0.2823000E-01  0.5139000
  1 1 1      22    2    4 o    10.98000      0.2157000       10.89000 0.3031000       11.08000      0.3069000     -0.1968000      0.4314000
  1 1 1      22    2    5 o    12.23000      0.2220000       12.10000 0.3138000       12.35000      0.3140000     -0.2461000      0.4439000
  1 1 1      22    2    6 o    8.791000      0.2071000       9.056000 0.2904000       8.526000      0.2954000      0.5294000      0.4142000
  1 1 1      22    2    7 o    12.58000      0.2184000       12.68000 0.3112000       12.47000      0.3066000      0.2058000      0.4369000
  1 1 1      22    2    8 o    11.99000      0.2146000       12.10000 0.3060000       11.89000      0.3009000      0.2123000      0.4292000
  1 1 1      22    2    9 o    5.678000      0.2182000       5.747000 0.3057000       5.610000      0.3113000      0.1376000      0.4363000
  1 1 1      22    2   10 o    6.486000      0.2211000       6.658000 0.3325000       6.315000      0.2914000      0.3431000      0.4422000
  1 1 1      22    2   11 o    8.986000      0.2043000       8.854000 0.3039000       9.119000      0.2732000     -0.2641000      0.4086000
  1 1 1      22    2   12 o    7.591000      0.2042000       7.466000 0.3053000       7.716000      0.2712000     -0.2509000      0.4083000
  1 1 1      22    2   13 o    8.221000      0.2781000       8.388000 0.4019000       8.054000      0.3847000      0.3343000      0.5563000
  1 1 1      22    2   14 o    13.52000      0.3152000       13.57000 0.4502000       13.48000      0.4414000      0.9215000E-01  0.6305000
  1 1 1      22    2   15 o    8.123000      0.1866000       7.775000 0.2801000       8.471000      0.2465000     -0.6964000      0.3731000
  1 1 1      22    2   16 o    5.078000      0.2926000       5.020000 0.4609000       5.136000      0.3605000     -0.1164000      0.5852000
  1 1 1      22    2   17 o    7.832000      0.1832000       8.020000 0.2735000       7.645000      0.2437000      0.3748000      0.3663000
  1 1 1      22    2   18 o    6.273000      0.1796000       5.908000 0.2765000       6.638000      0.2293000     -0.7300000      0.3592000
  1 1 1      22    2   19 o    4.385000      0.2110000       4.147000 0.3345000       4.622000      0.2572000     -0.4753000      0.4220000
  1 1 1      22    2   20 o    7.289000      0.1581000       7.381000 0.2346000       7.197000      0.2121000      0.1836000      0.3163000
  1 1 1      22    2   21 o    1.569000      0.3674000       1.861000 0.5320000       1.277000      0.5068000      0.5844000      0.7347000
  1 1 1      22    2   22 o    1.758000      0.4281000       1.874000 0.5958000       1.642000      0.6149000      0.2322000      0.8562000
  1 1 1      22    2   23 o    4.387000      0.2682000       4.195000 0.3901000       4.579000      0.3681000     -0.3834000      0.5363000
  1 1 1      22    3    0 f    1.760000      0.5192000       2.273000 0.8415000       1.247000      0.6085000       1.026000       1.038000
  1 1 1      22    3    1 o    12.91000      0.2377000       13.24000 0.3390000       12.58000      0.3333000      0.6570000      0.4754000
  1 1 1      22    3    2 o    12.56000      0.2315000       12.45000 0.3281000       12.66000      0.3267000     -0.2036000      0.4630000
  1 1 1      22    3    3 o    17.60000      0.2728000       17.83000 0.3903000       17.38000      0.3812000      0.4553000      0.5456000
  1 1 1      22    3    4 o    9.089000      0.2145000       9.230000 0.3022000       8.949000      0.3044000      0.2812000      0.4289000
  1 1 1      22    3    5 f    3.746000      0.3226000       3.901000 0.4545000       3.591000      0.4581000      0.3097000      0.6453000
  1 1 1      22    3    6 o    8.663000      0.2074000       8.783000 0.2886000       8.543000      0.2979000      0.2400000      0.4148000
  1 1 1      22    3    7 o    10.77000      0.2082000       10.90000 0.2974000       10.64000      0.2916000      0.2625000      0.4165000
  1 1 1      22    3    8 o    5.611000      0.2278000       5.420000 0.3268000       5.803000      0.3173000     -0.3826000      0.4555000
  1 1 1      22    3    9 o    4.011000      0.2767000       3.947000 0.3911000       4.075000      0.3914000     -0.1285000      0.5533000
  1 1 1      22    3   10 o    6.428000      0.2077000       6.777000 0.2823000       6.078000      0.3048000      0.6987000      0.4155000
  1 1 1      22    3   11 o    8.631000      0.1942000       8.909000 0.2735000       8.352000      0.2757000      0.5576000      0.3883000
  1 1 1      22    3   12 o    6.343000      0.3110000       6.806000 0.4311000       5.880000      0.4484000      0.9258000      0.6220000
  1 1 1      22    3   13 o    8.811000      0.2811000       8.543000 0.4062000       9.080000      0.3887000     -0.5376000      0.5622000
  1 1 1      22    3   14 o    12.04000      0.2109000       11.95000 0.3104000       12.13000      0.2856000     -0.1778000      0.4218000
  1 1 1      22    3   15 o    14.84000      0.3250000       14.70000 0.4716000       14.98000      0.4473000     -0.2803000      0.6500000
  1 1 1      22    3   16 o    7.537000      0.2556000       7.548000 0.3957000       7.525000      0.3235000      0.2310000E-01  0.5111000
  1 1 1      22    3   17 o    11.20000      0.1916000       11.35000 0.2803000       11.06000      0.2612000      0.2897000      0.3831000
  1 1 1      22    3   18 f    4.641000      0.2146000       4.462000 0.3395000       4.820000      0.2628000     -0.3576000      0.4293000
  1 1 1      22    3   19 o    2.164000      0.3412000       1.427000 0.5740000       2.901000      0.3690000      -1.474000      0.6824000
  1 1 1      22    3   20 o    12.62000      0.1922000       12.60000 0.2769000       12.64000      0.2667000     -0.3623000E-01  0.3844000
  1 1 1      22    3   21 o    4.724000      0.1595000       4.544000 0.2433000       4.904000      0.2063000     -0.3600000      0.3190000
  1 1 1      22    3   22 o    4.837000      0.1700000       4.527000 0.2425000       5.147000      0.2382000     -0.6191000      0.3399000
  1 1 1      22    4    0 o    10.49000      0.2274000       10.36000 0.3192000       10.62000      0.3239000     -0.2548000      0.4548000
  1 1 1      22    4    1 o    5.805000      0.2611000       5.804000 0.3699000       5.805000      0.3685000     -0.1061000E-02  0.5221000
  1 1 1      22    4    2 o    14.40000      0.2451000       14.50000 0.3484000       14.29000      0.3447000      0.2164000      0.4901000
  1 1 1      22    4    3 o    7.057000      0.2317000       6.982000 0.3406000       7.131000      0.3143000     -0.1482000      0.4634000
  1 1 1      22    4    4 o    9.363000      0.2150000       9.183000 0.3073000       9.543000      0.3008000     -0.3603000      0.4300000
  1 1 1      22    4    5 o    9.757000      0.2142000       9.646000 0.3047000       9.869000      0.3011000     -0.2224000      0.4284000
  1 1 1      22    4    6 o    5.424000      0.2492000       5.135000 0.3663000       5.714000      0.3380000     -0.5784000      0.4984000
  1 1 1      22    4    7 o    4.561000      0.2808000       4.709000 0.3808000       4.413000      0.4127000      0.2968000      0.5615000
  1 1 1      22    4    8 o    2.266000      0.4533000       2.285000 0.6338000       2.247000      0.6483000      0.3796000E-01  0.9066000
  1 1 1      22    4    9 o    4.816000      0.2530000       4.663000 0.3581000       4.969000      0.3577000     -0.3062000      0.5061000
  1 1 1      22    4   10 o    7.244000      0.2014000       7.196000 0.2812000       7.291000      0.2883000     -0.9583000E-01  0.4028000
  1 1 1      22    4   11 o    8.247000      0.1943000       8.330000 0.2751000       8.164000      0.2745000      0.1663000      0.3886000
  1 1 1      22    4   12 o    5.334000      0.3495000       5.070000 0.5388000       5.598000      0.4453000     -0.5279000      0.6990000
  1 1 1      22    4   13 o    15.77000      0.2394000       15.69000 0.3359000       15.86000      0.3411000     -0.1781000      0.4787000
  1 1 1      22    4   14 o    3.449000      0.2782000       3.539000 0.3745000       3.360000      0.4114000      0.1792000      0.5563000
  1 1 1      22    4   15 o    14.80000      0.3124000       14.82000 0.4391000       14.78000      0.4444000      0.4070000E-01  0.6247000
  1 1 1      22    4   16 o    10.17000      0.1907000       10.39000 0.2820000       9.945000      0.2567000      0.4422000      0.3813000
  1 1 1      22    4   17 o    9.106000      0.1823000       9.335000 0.2695000       8.876000      0.2455000      0.4595000      0.3646000
  1 1 1      22    4   18 o    3.301000      0.2828000       3.237000 0.4494000       3.365000      0.3435000     -0.1276000      0.5656000
  1 1 1      22    4   19 o    3.670000      0.2372000       3.614000 0.3747000       3.726000      0.2911000     -0.1112000      0.4744000
  1 1 1      22    4   20 o    12.25000      0.1896000       12.31000 0.2765000       12.18000      0.2595000      0.1315000      0.3792000
  1 1 1      22    4   21 o    6.537000      0.1466000       6.386000 0.2195000       6.689000      0.1944000     -0.3031000      0.2932000
  1 1 1      22    4   22 o    8.687000      0.1424000       8.477000 0.2049000       8.897000      0.1977000     -0.4199000      0.2847000
  1 1 1      22    5    0 o    3.365000      0.4265000       3.980000 0.4969000       2.750000      0.6933000       1.230000      0.8530000
  1 1 1      22    5    1 f    14.03000      0.2441000       14.07000 0.3446000       13.98000      0.3459000      0.8850000E-01  0.4883000
  1 1 1      22    5    2 o    10.79000      0.2244000       10.75000 0.3137000       10.83000      0.3209000     -0.8090000E-01  0.4488000
  1 1 1      22    5    3 o    6.682000      0.2388000       6.612000 0.3404000       6.753000      0.3349000     -0.1409000      0.4776000
  1 1 1      22    5    4 o    2.572000      0.4609000       2.982000 0.6000000       2.162000      0.6999000      0.8203000      0.9218000
  1 1 1      22    5    5 o    4.563000      0.2935000       4.831000 0.3951000       4.296000      0.4340000      0.5355000      0.5869000
  1 1 1      22    5    6 o    6.502000      0.2293000       6.587000 0.3212000       6.417000      0.3273000      0.1695000      0.4586000
  1 1 1      22    5    7 o    6.723000      0.2227000       7.017000 0.3045000       6.428000      0.3250000      0.5889000      0.4454000
  1 1 1      22    5    8 o    2.183000      0.4612000       2.393000 0.6480000       1.974000      0.6565000      0.4183000      0.9224000
  1 1 1      22    5    9 o    7.113000      0.2127000       6.844000 0.3000000       7.382000      0.3017000     -0.5382000      0.4255000
  1 1 1      22    5   10 o    6.565000      0.2118000       6.455000 0.3003000       6.674000      0.2988000     -0.2190000      0.4236000
  1 1 1      22    5   11 o    5.604000      0.2857000       5.907000 0.4672000       5.300000      0.3291000      0.6066000      0.5715000
  1 1 1      22    5   12 o    8.534000      0.2849000       8.417000 0.4151000       8.651000      0.3902000     -0.2338000      0.5697000
  1 1 1      22    5   13 o    8.882000      0.1916000       9.103000 0.2660000       8.662000      0.2760000      0.4405000      0.3833000
  1 1 1      22    5   14 f    6.228000      0.1943000       5.865000 0.2826000       6.590000      0.2667000     -0.7255000      0.3886000
  1 1 1      22    5   15 o    5.953000      0.2507000       6.076000 0.3318000       5.830000      0.3759000      0.2462000      0.5014000
  1 1 1      22    5   16 o    12.57000      0.2007000       12.59000 0.2838000       12.55000      0.2839000      0.4270000E-01  0.4015000
  1 1 1      22    5   17 o    8.281000      0.1694000       8.265000 0.2371000       8.297000      0.2421000     -0.3233000E-01  0.3388000
  1 1 1      22    5   18 o    6.966000      0.2133000       7.033000 0.3604000       6.899000      0.2281000      0.1344000      0.4265000
  1 1 1      22    5   19 o    15.07000      0.2753000       14.44000 0.3108000       15.70000      0.4545000      -1.266000      0.5506000
  1 1 1      22    5   20 o    4.316000      0.1917000       4.539000 0.2887000       4.093000      0.2524000      0.4456000      0.3835000
  1 1 1      22    5   21 o    3.151000      0.2311000       2.800000 0.3922000       3.503000      0.2448000     -0.7032000      0.4623000
  1 1 1      22    6    0 o    10.23000      0.2299000       10.57000 0.3257000       9.885000      0.3245000      0.6835000      0.4598000
  1 1 1      22    6    1 o    7.450000      0.2363000       7.536000 0.3271000       7.364000      0.3412000      0.1718000      0.4727000
  1 1 1      22    6    2 o    11.28000      0.2268000       11.10000 0.3183000       11.47000      0.3231000     -0.3679000      0.4535000
  1 1 1      22    6    3 o    7.667000      0.2282000       7.464000 0.3255000       7.871000      0.3199000     -0.4068000      0.4563000
  1 1 1      22    6    4 o    6.931000      0.2319000       6.832000 0.3228000       7.030000      0.3330000     -0.1985000      0.4638000
  1 1 1      22    6    5 f    4.366000      0.3174000       4.150000 0.4707000       4.582000      0.4261000     -0.4314000      0.6349000
  1 1 1      22    6    6 o    5.281000      0.2636000       5.435000 0.3640000       5.128000      0.3814000      0.3077000      0.5273000
  1 1 1      22    6    7 o    10.52000      0.2133000       10.59000 0.3009000       10.45000      0.3023000      0.1418000      0.4266000
  1 1 1      22    6    8 o    11.53000      0.2140000       11.61000 0.3032000       11.46000      0.3021000      0.1544000      0.4280000
  1 1 1      22    6    9 o    13.64000      0.2294000       13.82000 0.3257000       13.46000      0.3231000      0.3564000      0.4588000
  1 1 1      22    6   10 o    11.12000      0.2077000       11.06000 0.2918000       11.19000      0.2957000     -0.1344000      0.4154000
  1 1 1      22    6   11 o    3.974000      0.4417000       4.142000 0.6120000       3.806000      0.6369000      0.3362000      0.8833000
  1 1 1      22    6   12 o    4.542000      0.3816000       4.369000 0.5733000       4.714000      0.5037000     -0.3450000      0.7631000
  1 1 1      22    6   13 o    7.627000      0.1907000       7.498000 0.2711000       7.757000      0.2683000     -0.2593000      0.3815000
  1 1 1      22    6   14 o    8.577000      0.2505000       8.707000 0.3493000       8.448000      0.3592000      0.2592000      0.5011000
  1 1 1      22    6   15 o    4.771000      0.2902000       4.844000 0.3891000       4.698000      0.4307000      0.1461000      0.5804000
  1 1 1      22    6   16 o    10.59000      0.1842000       10.68000 0.2625000       10.49000      0.2587000      0.1896000      0.3685000
  1 1 1      22    6   17 o    11.72000      0.1913000       11.62000 0.2695000       11.82000      0.2715000     -0.2079000      0.3826000
  1 1 1      22    6   18 o    9.478000      0.1682000       9.512000 0.2382000       9.444000      0.2376000      0.6864000E-01  0.3365000
  1 1 1      22    6   19 o    6.658000      0.1556000       6.687000 0.2227000       6.628000      0.2173000      0.5826000E-01  0.3111000
  1 1 1      22    6   20 o    9.119000      0.1561000       9.088000 0.2230000       9.150000      0.2186000     -0.6186000E-01  0.3123000
  1 1 1      22    6   21 o    2.960000      0.2465000       2.613000 0.4293000       3.307000      0.2426000     -0.6937000      0.4931000
  1 1 1      22    6   22 o    1.260000      0.3135000       1.325000 0.4872000       1.195000      0.3947000      0.1299000      0.6270000
  1 1 1      22    7    0 o    6.997000      0.2571000       7.489000 0.3502000       6.505000      0.3764000      0.9839000      0.5141000
  1 1 1      22    7    1 o    8.619000      0.2319000       8.622000 0.3226000       8.616000      0.3333000      0.6044000E-02  0.4639000
  1 1 1      22    7    2 f    2.569000      0.4974000       2.576000 0.6936000       2.563000      0.7131000      0.1263000E-01  0.9948000
  1 1 1      22    7    3 o    9.261000      0.2244000       9.220000 0.3146000       9.302000      0.3202000     -0.8136000E-01  0.4489000
  1 1 1      22    7    4 o    11.95000      0.2282000       11.86000 0.3236000       12.04000      0.3219000     -0.1817000      0.4564000
  1 1 1      22    7    5 o    4.241000      0.3286000       4.572000 0.4181000       3.911000      0.5070000      0.6612000      0.6571000
  1 1 1      22    7    6 o    4.645000      0.3139000       4.084000 0.4919000       5.206000      0.3899000      -1.122000      0.6277000
  1 1 1      22    7    7 o    3.787000      0.3514000       3.966000 0.4660000       3.609000      0.5261000      0.3567000      0.7028000
  1 1 1      22    7    8 o    6.156000      0.2408000       6.326000 0.3372000       5.985000      0.3440000      0.3408000      0.4817000
  1 1 1      22    7    9 o    8.031000      0.2132000       8.087000 0.2994000       7.976000      0.3037000      0.1109000      0.4265000
  1 1 1      22    7   10 o    5.023000      0.2596000       4.938000 0.3737000       5.108000      0.3604000     -0.1695000      0.5192000
  1 1 1      22    7   11 o    12.79000      0.3095000       13.16000 0.4511000       12.41000      0.4239000      0.7497000      0.6191000
  1 1 1      22    7   12 o    11.35000      0.2921000       11.16000 0.4195000       11.54000      0.4067000     -0.3794000      0.5843000
  1 1 1      22    7   13 o    12.47000      0.2098000       12.46000 0.2958000       12.47000      0.2976000     -0.1491000E-01  0.4196000
  1 1 1      22    7   14 o    8.797000      0.2601000       8.544000 0.3517000       9.051000      0.3832000     -0.5074000      0.5201000
  1 1 1      22    7   15 o    8.416000      0.2542000       8.353000 0.3501000       8.480000      0.3687000     -0.1263000      0.5084000
  1 1 1      22    7   16 o    8.521000      0.1739000       8.822000 0.2479000       8.220000      0.2438000      0.6014000      0.3477000
  1 1 1      22    7   17 o    9.068000      0.1730000       8.982000 0.2457000       9.153000      0.2436000     -0.1702000      0.3460000
  1 1 1      22    7   18 o    8.971000      0.1671000       8.955000 0.2375000       8.987000      0.2350000     -0.3288000E-01  0.3342000
  1 1 1      22    7   19 o    3.050000      0.2506000       3.110000 0.3608000       2.989000      0.3478000      0.1211000      0.5011000
  1 1 1      22    7   20 o    3.715000      0.1911000       3.690000 0.2911000       3.741000      0.2477000     -0.5079000E-01  0.3822000
  1 1 1      22    7   21 o    5.409000      0.1394000       5.255000 0.2052000       5.563000      0.1888000     -0.3078000      0.2789000
  1 1 1      22    7   22 o    2.931000      0.1637000       3.072000 0.2326000       2.790000      0.2304000      0.2815000      0.3274000
  1 1 1      22    8    0 o    6.404000      0.2687000       6.683000 0.3706000       6.124000      0.3893000      0.5590000      0.5375000
  1 1 1      22    8    1 o    16.78000      0.2699000       16.66000 0.3798000       16.91000      0.3836000     -0.2499000      0.5398000
  1 1 1      22    8    2 o    10.55000      0.2280000       10.60000 0.3206000       10.51000      0.3243000      0.9517000E-01  0.4560000
  1 1 1      22    8    3 o    12.67000      0.2341000       12.68000 0.3281000       12.66000      0.3341000      0.2080000E-01  0.4683000
  1 1 1      22    8    4 o    8.532000      0.2222000       8.649000 0.3104000       8.415000      0.3179000      0.2341000      0.4443000
  1 1 1      22    8    5 o    5.046000      0.2801000       5.282000 0.3746000       4.810000      0.4166000      0.4727000      0.5603000
  1 1 1      22    8    6 o    12.48000      0.2269000       12.39000 0.3204000       12.56000      0.3213000     -0.1746000      0.4537000
  1 1 1      22    8    7 o    12.73000      0.2286000       12.50000 0.3226000       12.96000      0.3239000     -0.4628000      0.4571000
  1 1 1      22    8    8 o    8.800000      0.2129000       8.966000 0.3057000       8.634000      0.2965000      0.3321000      0.4258000
  1 1 1      22    8    9 o    1.737000      0.4485000       1.262000 0.5828000       2.212000      0.6820000     -0.9503000      0.8971000
  1 1 1      22    8   10 o    4.905000      0.2753000       4.898000 0.4009000       4.912000      0.3773000     -0.1357000E-01  0.5506000
  1 1 1      22    8   11 o    14.15000      0.2315000       14.12000 0.3285000       14.17000      0.3264000     -0.4778000E-01  0.4630000
  1 1 1      22    8   12 o    9.305000      0.2809000       9.483000 0.4132000       9.126000      0.3805000      0.3570000      0.5617000
  1 1 1      22    8   13 o    12.34000      0.2100000       12.49000 0.2986000       12.20000      0.2954000      0.2912000      0.4201000
  1 1 1      22    8   14 o    7.416000      0.1935000       7.198000 0.2843000       7.634000      0.2627000     -0.4359000      0.3871000
  1 1 1      22    8   15 o    10.30000      0.2679000       10.41000 0.3733000       10.19000      0.3843000      0.2236000      0.5357000
  1 1 1      22    8   16 o    9.627000      0.1812000       9.746000 0.2603000       9.509000      0.2522000      0.2373000      0.3624000
  1 1 1      22    8   17 o    2.814000      0.3208000       2.556000 0.5015000       3.073000      0.4003000     -0.5172000      0.6417000
  1 1 1      22    8   18 o    11.43000      0.1856000       11.50000 0.2644000       11.36000      0.2605000      0.1373000      0.3712000
  1 1 1      22    8   19 o    8.999000      0.1630000       9.104000 0.2345000       8.893000      0.2263000      0.2105000      0.3259000
  1 1 1      22    8   20 o    5.214000      0.1614000       5.397000 0.2360000       5.031000      0.2202000      0.3656000      0.3228000
  1 1 1      22    8   21 o    7.217000      0.1397000       7.416000 0.2022000       7.017000      0.1927000      0.3994000      0.2794000
  1 1 1      22    8   22 o    6.339000      0.1512000       6.243000 0.1867000       6.435000      0.2380000     -0.1925000      0.3025000
  1 1 1      22    8   23 o    4.159000      0.1952000       4.316000 0.2426000       4.002000      0.3059000      0.3136000      0.3905000
  1 1 1      22    9    0 o    7.307000      0.2542000       7.195000 0.3689000       7.419000      0.3499000     -0.2234000      0.5084000
  1 1 1      22    9    1 o    8.353000      0.2378000       8.331000 0.3391000       8.374000      0.3336000     -0.4378000E-01  0.4756000
  1 1 1      22    9    2 o    15.78000      0.2584000       15.68000 0.3647000       15.88000      0.3663000     -0.1998000      0.5169000
  1 1 1      22    9    3 o    8.287000      0.2301000       8.161000 0.3242000       8.412000      0.3267000     -0.2509000      0.4603000
  1 1 1      22    9    4 o    11.55000      0.2241000       11.54000 0.3162000       11.57000      0.3175000     -0.2894000E-01  0.4481000
  1 1 1      22    9    5 o    10.40000      0.2194000       10.20000 0.3104000       10.61000      0.3103000     -0.4089000      0.4389000
  1 1 1      22    9    6 o    18.10000      0.2766000       18.11000 0.3919000       18.09000      0.3904000      0.1763000E-01  0.5532000
  1 1 1      22    9    7 o    13.52000      0.2335000       13.33000 0.3310000       13.71000      0.3295000     -0.3825000      0.4670000
  1 1 1      22    9    8 o    6.632000      0.2350000       6.798000 0.3337000       6.465000      0.3309000      0.3333000      0.4699000
  1 1 1      22    9    9 o    6.371000      0.2370000       6.466000 0.3460000       6.276000      0.3239000      0.1901000      0.4739000
  1 1 1      22    9   10 o    6.461000      0.2280000       6.471000 0.3261000       6.451000      0.3187000      0.1938000E-01  0.4559000
  1 1 1      22    9   11 o    4.482000      0.2820000       4.413000 0.4091000       4.550000      0.3883000     -0.1373000      0.5641000
  1 1 1      22    9   12 o    10.91000      0.2861000       10.74000 0.4205000       11.07000      0.3882000     -0.3312000      0.5723000
  1 1 1      22    9   13 o    5.847000      0.3075000       5.850000 0.4720000       5.844000      0.3941000      0.5351000E-02  0.6149000
  1 1 1      22    9   14 o    5.487000      0.2237000       5.228000 0.3275000       5.747000      0.3048000     -0.5194000      0.4474000
  1 1 1      22    9   15 o    4.309000      0.3676000       3.793000 0.5442000       4.826000      0.4944000      -1.033000      0.7352000
  1 1 1      22    9   16 o    3.399000      0.4382000       3.832000 0.5199000       2.966000      0.7056000      0.8652000      0.8764000
  1 1 1      22    9   17 o    5.529000      0.1871000       5.586000 0.2696000       5.472000      0.2595000      0.1142000      0.3742000
  1 1 1      22    9   18 o    7.378000      0.1669000       7.494000 0.2418000       7.261000      0.2302000      0.2328000      0.3339000
  1 1 1      22    9   19 o    3.276000      0.2331000       3.426000 0.3483000       3.126000      0.3099000      0.3004000      0.4662000
  1 1 1      22    9   20 o    11.01000      0.1743000       11.00000 0.2472000       11.01000      0.2458000     -0.9772000E-02  0.3486000
  1 1 1      22    9   21 o    6.842000      0.1420000       6.925000 0.2055000       6.758000      0.1959000      0.1673000      0.2839000
  1 1 1      22    9   22 o    2.966000      0.2191000       2.796000 0.3023000       3.135000      0.3174000     -0.3393000      0.4383000
  1 1 1      22    9   23 o    1.552000      0.4217000       1.451000 0.5669000       1.653000      0.6246000     -0.2022000      0.8435000
  1 1 1      22    9   24 o    2.626000      0.3661000       2.830000 0.4554000       2.422000      0.5734000      0.4081000      0.7323000
  1 1 1      22   10    0 o    7.086000      0.2639000       7.292000 0.3831000       6.879000      0.3631000      0.4129000      0.5278000
  1 1 1      22   10    1 o    2.456000      0.5213000       2.752000 0.7232000       2.160000      0.7511000      0.5922000       1.043000
  1 1 1      22   10    2 o    9.106000      0.2322000       9.133000 0.3322000       9.079000      0.3244000      0.5458000E-01  0.4643000
  1 1 1      22   10    3 o    14.22000      0.2463000       14.24000 0.3488000       14.19000      0.3477000      0.5062000E-01  0.4925000
  1 1 1      22   10    4 o    8.200000      0.2261000       8.363000 0.3206000       8.038000      0.3190000      0.3247000      0.4522000
  1 1 1      22   10    5 o    7.851000      0.2276000       7.884000 0.3239000       7.818000      0.3197000      0.6627000E-01  0.4551000
  1 1 1      22   10    6 o    4.646000      0.2928000       4.618000 0.4164000       4.674000      0.4117000     -0.5643000E-01  0.5856000
  1 1 1      22   10    7 o    4.904000      0.2895000       5.041000 0.4135000       4.767000      0.4052000      0.2748000      0.5790000
  1 1 1      22   10    8 o    5.135000      0.2727000       5.038000 0.4037000       5.232000      0.3667000     -0.1934000      0.5454000
  1 1 1      22   10    9 f    6.492000      0.2328000       6.427000 0.3391000       6.558000      0.3189000     -0.1315000      0.4655000
  1 1 1      22   10   10 o    9.446000      0.2119000       9.567000 0.3054000       9.324000      0.2938000      0.2437000      0.4238000
  1 1 1      22   10   11 f    8.736000      0.2058000       8.771000 0.2974000       8.702000      0.2845000      0.6976000E-01  0.4116000
  1 1 1      22   10   12 o    12.72000      0.3038000       12.73000 0.4446000       12.71000      0.4140000      0.1862000E-01  0.6075000
  1 1 1      22   10   14 o    7.209000      0.1954000       7.241000 0.2803000       7.176000      0.2723000      0.6465000E-01  0.3908000
  1 1 1      22   10   15 o    4.457000      0.2415000       4.478000 0.3652000       4.436000      0.3162000      0.4170000E-01  0.4831000
  1 1 1      22   10   16 o    3.415000      0.4402000       3.141000 0.6202000       3.689000      0.6249000     -0.5489000      0.8804000
  1 1 1      22   10   17 o    2.221000      0.5264000       2.387000 0.7182000       2.055000      0.7697000      0.3314000       1.053000
  1 1 1      22   10   18 o    7.783000      0.1686000       7.936000 0.2420000       7.629000      0.2348000      0.3071000      0.3372000
  1 1 1      22   10   19 o    6.430000      0.1622000       6.294000 0.2370000       6.565000      0.2215000     -0.2708000      0.3244000
  1 1 1      22   10   20 o    12.42000      0.1898000       12.74000 0.2720000       12.11000      0.2647000      0.6372000      0.3796000
  1 1 1      22   10   21 o    6.703000      0.1480000       6.620000 0.2081000       6.787000      0.2106000     -0.1671000      0.2961000
  1 1 1      22   10   22 o    1.809000      0.3865000       1.951000 0.5019000       1.667000      0.5878000      0.2837000      0.7729000
  1 1 1      22   10   23 o    6.830000      0.2017000       6.870000 0.2556000       6.790000      0.3121000      0.7968000E-01  0.4034000
  1 1 1      22   10   24 o    2.883000      0.3994000       3.482000 0.4232000       2.284000      0.6774000       1.198000      0.7988000
  1 1 1      22   10   25 o    4.677000      0.2055000       4.444000 0.3011000       4.911000      0.2797000     -0.4669000      0.4110000
  1 1 1      22   10   26 o    2.656000      0.3361000       3.551000 0.3091000       1.762000      0.5969000       1.788000      0.6722000
  1 1 1      22   10   27 o    2.814000      0.2590000       2.630000 0.3943000       2.999000      0.3359000     -0.3686000      0.5179000
  1 1 1      22   11    0 o    7.291000      0.2549000       7.022000 0.3774000       7.560000      0.3428000     -0.5376000      0.5098000
  1 1 1      22   11    1 o    2.160000      0.5338000       2.071000 0.7556000       2.250000      0.7543000     -0.1787000       1.068000
  1 1 1      22   11    2 o    10.24000      0.2296000       10.10000 0.3252000       10.37000      0.3242000     -0.2679000      0.4592000
  1 1 1      22   11    3 o    12.13000      0.2331000       11.78000 0.3280000       12.47000      0.3314000     -0.6832000      0.4662000
  1 1 1      22   11    4 o    5.500000      0.2746000       5.535000 0.3878000       5.466000      0.3887000      0.6889000E-01  0.5491000
  1 1 1      22   11    5 o    5.805000      0.2654000       5.640000 0.3874000       5.970000      0.3630000     -0.3307000      0.5309000
  1 1 1      22   11    6 o    4.690000      0.3231000       4.260000 0.5049000       5.120000      0.4033000     -0.8597000      0.6462000
  1 1 1      22   11    7 o    3.458000      0.4064000       3.654000 0.5692000       3.262000      0.5802000      0.3921000      0.8128000
  1 1 1      22   11    8 o    4.591000      0.3062000       4.638000 0.4403000       4.544000      0.4256000      0.9453000E-01  0.6124000
  1 1 1      22   11    9 o    9.112000      0.2154000       9.469000 0.3081000       8.754000      0.3011000      0.7154000      0.4308000
  1 1 1      22   11   10 o    2.050000      0.4938000       2.332000 0.7276000       1.769000      0.6678000      0.5630000      0.9876000
  1 1 1      22   11   11 o    12.76000      0.2227000       12.62000 0.3168000       12.89000      0.3130000     -0.2701000      0.4454000
  1 1 1      22   11   12 o    11.09000      0.2113000       11.25000 0.3019000       10.94000      0.2958000      0.3124000      0.4227000
  1 1 1      22   11   13 o    10.61000      0.2732000       10.35000 0.3949000       10.87000      0.3776000     -0.5284000      0.5464000
  1 1 1      22   11   14 o    6.942000      0.2667000       7.305000 0.3974000       6.580000      0.3557000      0.7252000      0.5333000
  1 1 1      22   11   15 o    4.860000      0.2290000       5.099000 0.3247000       4.620000      0.3230000      0.4789000      0.4580000
  1 1 1      22   11   16 o    3.195000      0.3006000       3.156000 0.4811000       3.234000      0.3607000     -0.7848000E-01  0.6013000
  1 1 1      22   11   17 o    11.04000      0.2828000       10.93000 0.3866000       11.15000      0.4129000     -0.2210000      0.5657000
  1 1 1      22   11   18 o    9.293000      0.2738000       9.680000 0.3693000       8.907000      0.4044000      0.7730000      0.5477000
  1 1 1      22   11   19 f    10.21000      0.1732000       10.11000 0.2430000       10.30000      0.2468000     -0.1883000      0.3463000
  1 1 1      22   11   20 o    9.086000      0.1619000       9.147000 0.2266000       9.024000      0.2314000      0.1230000      0.3238000
  1 1 1      22   11   21 o    6.877000      0.1552000       6.770000 0.2115000       6.984000      0.2273000     -0.2141000      0.3104000
  1 1 1      22   11   22 o    2.639000      0.3576000       2.170000 0.5115000       3.108000      0.4998000     -0.9373000      0.7152000
  1 1 1      22   11   23 o    3.297000      0.3898000       3.677000 0.4189000       2.918000      0.6575000      0.7591000      0.7796000
  1 1 1      22   11   24 o    8.772000      0.2534000       8.900000 0.3381000       8.643000      0.3775000      0.2575000      0.5067000
  1 1 1      22   11   25 o    7.103000      0.1939000       7.247000 0.2557000       6.959000      0.2914000      0.2879000      0.3877000
  1 1 1      22   11   26 o    4.588000      0.2866000       4.588000 0.2866000                  ?              ?              ?              ?
  1 1 1      22   11   27 o    2.304000      0.3474000       2.410000 0.4550000       2.199000      0.5251000      0.2113000      0.6948000
  1 1 1      22   11   28 o    3.435000      0.3482000                  ?       ?   3.435000      0.3482000                  ?              ?
  1 1 1      22   11   29 o    1.489000      0.3831000       1.542000 0.5491000       1.436000      0.5344000      0.1064000      0.7662000
  1 1 1      22   11   30 o    1.898000      0.3720000       1.908000 0.5185000       1.889000      0.5336000      0.1883000E-01  0.7440000
  1 1 1      22   11   31 f    1.335000      0.3465000       1.372000 0.5177000       1.299000      0.4607000      0.7314000E-01  0.6930000
  1 1 1      22   12    0 o    4.765000      0.5315000       4.834000 0.7363000       4.696000      0.7667000      0.1373000       1.063000
  1 1 1      22   12    1 o    7.119000      0.2597000       6.917000 0.3834000       7.321000      0.3504000     -0.4048000      0.5194000
  1 1 1      22   12    2 o    11.78000      0.2338000       11.63000 0.3274000       11.93000      0.3339000     -0.2986000      0.4676000
  1 1 1      22   12    3 o    12.27000      0.2341000       11.83000 0.3298000       12.71000      0.3323000     -0.8795000      0.4682000
  1 1 1      22   12    4 o    11.33000      0.2285000       11.26000 0.3209000       11.39000      0.3253000     -0.1294000      0.4569000
  1 1 1      22   12    5 o    5.033000      0.3036000       5.576000 0.3894000       4.490000      0.4660000       1.086000      0.6072000
  1 1 1      22   12    6 o    4.194000      0.3558000       3.824000 0.5665000       4.564000      0.4307000     -0.7405000      0.7116000
  1 1 1      22   12    7 o    9.294000      0.2229000       9.101000 0.3172000       9.487000      0.3131000     -0.3861000      0.4457000
  1 1 1      22   12    8 o    2.025000      0.5006000       2.288000 0.7284000       1.762000      0.6868000      0.5256000       1.001000
  1 1 1      22   12    9 o    7.168000      0.2277000       7.146000 0.3289000       7.190000      0.3151000     -0.4483000E-01  0.4554000
  1 1 1      22   12   10 o    9.953000      0.2121000       9.731000 0.3033000       10.18000      0.2966000     -0.4449000      0.4242000
  1 1 1      22   12   11 o    9.027000      0.2096000       8.871000 0.3032000       9.184000      0.2893000     -0.3136000      0.4191000
  1 1 1      22   12   12 o    18.46000      0.2742000       18.30000 0.3858000       18.61000      0.3897000     -0.3092000      0.5484000
  1 1 1      22   12   13 o    4.095000      0.2954000       3.871000 0.4623000       4.320000      0.3679000     -0.4492000      0.5908000
  1 1 1      22   12   14 o    8.919000      0.2590000       9.055000 0.3910000       8.782000      0.3399000      0.2732000      0.5180000
  1 1 1      22   12   15 o    10.65000      0.2631000       10.77000 0.3920000       10.53000      0.3512000      0.2428000      0.5263000
  1 1 1      22   12   16 o    19.73000      0.3913000       20.01000 0.5644000       19.45000      0.5422000      0.5569000      0.7826000
  1 1 1      22   12   17 o    12.41000      0.1990000       12.69000 0.2860000       12.12000      0.2769000      0.5669000      0.3981000
  1 1 1      22   12   18 o    5.513000      0.1772000       5.811000 0.2579000       5.216000      0.2431000      0.5949000      0.3544000
  1 1 1      22   12   19 o    2.794000      0.5174000       2.771000 0.6783000       2.817000      0.7815000     -0.4608000E-01   1.035000
  1 1 1      22   12   20 f    1.924000      0.5245000       1.942000 0.7144000       1.907000      0.7680000      0.3425000E-01   1.049000
  1 1 1      22   12   21 o    3.615000      0.2514000       3.749000 0.3098000       3.480000      0.3961000      0.2692000      0.5028000
  1 1 1      22   12   22 o    5.161000      0.2378000       5.299000 0.2790000       5.023000      0.3853000      0.2764000      0.4757000
  1 1 1      22   12   23 o    4.803000      0.2955000       5.169000 0.3323000       4.438000      0.4888000      0.7315000      0.5910000
  1 1 1      22   12   24 o    8.474000      0.2399000       8.146000 0.2800000       8.802000      0.3897000     -0.6560000      0.4798000
  1 1 1      22   12   25 o    4.515000      0.2768000       4.626000 0.3354000       4.405000      0.4403000      0.2211000      0.5535000
  1 1 1      22   12   26 o    2.589000      0.4270000       2.924000 0.4450000       2.254000      0.7288000      0.6700000      0.8540000
  1 1 1      22   12   27 o    2.235000      0.3772000       1.616000 0.5755000       2.854000      0.4878000      -1.238000      0.7544000
  1 1 1      22   12   28 o    3.486000      0.3711000                  ?       ?   3.486000      0.3711000                  ?              ?
  1 1 1      22   12   29 o    1.545000      0.4102000       1.587000 0.5867000       1.503000      0.5734000      0.8420000E-01  0.8204000
  1 1 1      22   12   30 o    1.187000      0.3687000       1.231000 0.5297000       1.144000      0.5131000      0.8674000E-01  0.7374000
  1 1 1      22   13    0 o    10.72000      0.5242000                  ?       ?   10.72000      0.5242000                  ?              ?
  1 1 1      22   13    1 o    10.55000      0.2378000       10.48000 0.3408000       10.62000      0.3318000     -0.1445000      0.4757000
  1 1 1      22   13    2 o    6.489000      0.2695000       6.594000 0.3743000       6.384000      0.3880000      0.2100000      0.5391000
  1 1 1      22   13    3 o    8.628000      0.2355000       8.700000 0.3346000       8.557000      0.3316000      0.1428000      0.4711000
  1 1 1      22   13    4 o    1.946000      0.5132000       2.002000 0.7182000       1.891000      0.7333000      0.1113000       1.026000
  1 1 1      22   13    5 o    11.88000      0.2320000       11.90000 0.3333000       11.85000      0.3228000      0.5021000E-01  0.4640000
  1 1 1      22   13    6 o    13.41000      0.2371000       13.63000 0.3411000       13.19000      0.3294000      0.4371000      0.4742000
  1 1 1      22   13    7 o    14.21000      0.2429000       14.08000 0.3445000       14.33000      0.3426000     -0.2435000      0.4859000
  1 1 1      22   13    8 o    5.772000      0.2628000       5.399000 0.3916000       6.145000      0.3504000     -0.7454000      0.5255000
  1 1 1      22   13    9 o    12.61000      0.2252000       12.79000 0.3230000       12.43000      0.3139000      0.3634000      0.4504000
  1 1 1      22   13   10 o    13.90000      0.2325000       14.02000 0.3316000       13.78000      0.3259000      0.2387000      0.4649000
  1 1 1      22   13   11 o    19.71000      0.2898000       19.54000 0.4063000       19.88000      0.4134000     -0.3358000      0.5797000
  1 1 1      22   13   12 o    14.12000      0.2310000       14.06000 0.3263000       14.18000      0.3270000     -0.1175000      0.4619000
  1 1 1      22   13   13 o    8.983000      0.2001000       9.097000 0.2896000       8.870000      0.2762000      0.2272000      0.4002000
  1 1 1      22   13   14 o    5.306000      0.2360000       5.252000 0.3484000       5.360000      0.3183000     -0.1075000      0.4719000
  1 1 1      22   13   15 o    10.43000      0.1933000       10.48000 0.2802000       10.39000      0.2663000      0.8968000E-01  0.3866000
  1 1 1      22   13   16 o    19.05000      0.3791000       19.26000 0.5452000       18.84000      0.5270000      0.4168000      0.7583000
  1 1 1      22   13   17 o    3.325000      0.3488000       3.308000 0.5607000       3.342000      0.4151000     -0.3339000E-01  0.6977000
  1 1 1      22   13   18 o    3.040000      0.2686000       2.517000 0.4549000       3.563000      0.2857000      -1.046000      0.5372000
  1 1 1      22   13   19 o    8.188000      0.1614000       8.257000 0.2284000       8.120000      0.2281000      0.1364000      0.3228000
  1 1 1      22   13   20 o    7.551000      0.1620000       7.662000 0.2264000       7.440000      0.2318000      0.2227000      0.3240000
  1 1 1      22   13   21 o    4.374000      0.4023000       4.935000 0.4206000       3.812000      0.6858000       1.123000      0.8045000
  1 1 1      22   13   22 o    4.419000      0.3559000       4.320000 0.4536000       4.519000      0.5485000     -0.1986000      0.7118000
  1 1 1      22   13   23 o    1.658000      0.4821000       1.775000 0.6674000       1.542000      0.6957000      0.2330000      0.9641000
  1 1 1      22   13   24 o    6.642000      0.2702000       6.443000 0.3338000       6.840000      0.4250000     -0.3968000      0.5404000
  1 1 1      22   13   25 o    2.741000      0.4523000       3.137000 0.5106000       2.345000      0.7467000      0.7915000      0.9045000
  1 1 1      22   13   26 o    2.528000      0.4251000       3.012000 0.4842000       2.044000      0.6989000      0.9676000      0.8503000
  1 1 1      22   13   27 o    3.027000      0.3523000       3.195000 0.4272000       2.859000      0.5603000      0.3359000      0.7045000
  1 1 1      22   13   28 o    5.430000      0.2420000       5.808000 0.3683000       5.051000      0.3141000      0.7567000      0.4840000
  1 1 1      22   13   29 o    1.672000      0.4312000       1.525000 0.5947000       1.819000      0.6244000     -0.2946000      0.8624000
  1 1 1      22   13   30 o    2.190000      0.4262000       2.221000 0.6024000       2.159000      0.6029000      0.6179000E-01  0.8523000
  1 1 1      22   14    0 o    4.125000      0.9113000                  ?       ?   4.125000      0.9113000                  ?              ?
  1 1 1      22   14    1 o    2.526000      0.6464000       2.564000 0.9179000       2.488000      0.9103000      0.7616000E-01   1.293000
  1 1 1      22   14    2 o    2.060000      0.5247000       1.875000 0.7336000       2.245000      0.7505000     -0.3702000       1.049000
  1 1 1      22   14    3 o    6.923000      0.2529000       6.872000 0.3621000       6.974000      0.3532000     -0.1026000      0.5059000
  1 1 1      22   14    4 o    7.765000      0.2498000       7.630000 0.3671000       7.901000      0.3390000     -0.2704000      0.4997000
  1 1 1      22   14    5 o    14.20000      0.2446000       14.31000 0.3509000       14.09000      0.3409000      0.2259000      0.4892000
  1 1 1      22   14    6 f    10.44000      0.2274000       10.71000 0.3248000       10.16000      0.3183000      0.5477000      0.4548000
  1 1 1      22   14    7 o    11.70000      0.2260000       11.91000 0.3236000       11.48000      0.3156000      0.4327000      0.4521000
  1 1 1      22   14    8 o    10.46000      0.2182000       10.58000 0.3129000       10.33000      0.3043000      0.2464000      0.4364000
  1 1 1      22   14    9 o    4.860000      0.2874000       4.745000 0.4266000       4.976000      0.3851000     -0.2310000      0.5747000
  1 1 1      22   14   10 o    2.469000      0.4782000       2.211000 0.7266000       2.727000      0.6220000     -0.5168000      0.9564000
  1 1 1      22   14   11 o    8.056000      0.2108000       7.774000 0.3056000       8.338000      0.2903000     -0.5639000      0.4215000
  1 1 1      22   14   12 o    7.956000      0.2038000       7.789000 0.2988000       8.122000      0.2771000     -0.3338000      0.4075000
  1 1 1      22   14   13 o    16.56000      0.2517000       16.64000 0.3574000       16.48000      0.3544000      0.1658000      0.5034000
  1 1 1      22   14   14 o    4.316000      0.2647000       4.214000 0.4166000       4.419000      0.3266000     -0.2056000      0.5294000
  1 1 1      22   14   15 o    7.675000      0.1900000       7.781000 0.2724000       7.569000      0.2649000      0.2117000      0.3800000
  1 1 1      22   14   16 o    5.039000      0.2194000       5.011000 0.3295000       5.067000      0.2898000     -0.5569000E-01  0.4388000
  1 1 1      22   14   17 o    8.128000      0.1757000       8.099000 0.2530000       8.158000      0.2440000     -0.5928000E-01  0.3515000
  1 1 1      22   14   18 o    7.072000      0.2054000       7.084000 0.3047000       7.059000      0.2756000      0.2496000E-01  0.4108000
  1 1 1      22   14   19 o    9.543000      0.2192000       9.659000 0.3146000       9.426000      0.3053000      0.2329000      0.4384000
  1 1 1      22   14   20 o    2.008000      0.4138000       1.673000 0.5968000       2.344000      0.5735000     -0.6708000      0.8277000
  1 1 1      22   14   21 o    2.239000      0.4114000       1.557000 0.5737000       2.921000      0.5898000      -1.364000      0.8228000
  1 1 1      22   14   22 f    7.220000      0.2292000       7.390000 0.2816000       7.050000      0.3617000      0.3398000      0.4584000
  1 1 1      22   14   23 o    3.621000      0.3937000       3.456000 0.4836000       3.786000      0.6213000     -0.3306000      0.7874000
  1 1 1      22   14   24 o    3.235000      0.4732000       2.903000 0.5581000       3.566000      0.7645000     -0.6636000      0.9465000
  1 1 1      22   14   25 o    2.157000      0.4826000       2.257000 0.6247000       2.056000      0.7357000      0.2015000      0.9651000
  1 1 1      22   14   26 f    2.461000      0.4345000       2.275000 0.6461000       2.648000      0.5811000     -0.3727000      0.8690000
  1 1 1      22   14   27 o    3.414000      0.4422000       3.132000 0.5750000       3.696000      0.6720000     -0.5645000      0.8844000
  1 1 1      22   14   28 o    6.767000      0.2768000       6.865000 0.3419000       6.669000      0.4355000      0.1953000      0.5536000
  1 1 1      22   14   29 o    2.005000      0.4843000       2.577000 0.7040000       1.432000      0.6654000       1.144000      0.9687000
  1 1 1      22   14   30 o    2.549000      0.5661000       2.508000 0.7668000       2.590000      0.8329000     -0.8213000E-01   1.132000
  1 1 1      22   15    0 o    8.142000      0.3261000       7.335000 0.3544000       8.948000      0.5475000      -1.613000      0.6522000
  1 1 1      22   15    1 o    3.879000      0.6191000       4.227000 0.7873000       3.531000      0.9557000      0.6963000       1.238000
  1 1 1      22   15    2 o    9.586000      0.3591000       9.857000 0.4757000       9.314000      0.5381000      0.5432000      0.7182000
  1 1 1      22   15    3 o    12.07000      0.2389000       12.03000 0.3416000       12.11000      0.3340000     -0.7610000E-01  0.4778000
  1 1 1      22   15    4 o    16.72000      0.2693000       16.52000 0.3777000       16.92000      0.3838000     -0.4020000      0.5385000
  1 1 1      22   15    5 o    9.865000      0.2296000       9.866000 0.3324000       9.864000      0.3168000      0.1827000E-02  0.4592000
  1 1 1      22   15    6 f    7.888000      0.2402000       8.374000 0.3417000       7.402000      0.3377000      0.9721000      0.4804000
  1 1 1      22   15    7 f    10.80000      0.2212000       10.89000 0.3180000       10.70000      0.3077000      0.1885000      0.4425000
  1 1 1      22   15    8 o    16.98000      0.2648000       17.15000 0.3783000       16.82000      0.3707000      0.3322000      0.5296000
  1 1 1      22   15    9 o    8.296000      0.2212000       8.037000 0.3265000       8.555000      0.2983000     -0.5176000      0.4423000
  1 1 1      22   15   10 o    6.101000      0.2367000       5.733000 0.3579000       6.468000      0.3100000     -0.7351000      0.4735000
  1 1 1      22   15   11 o    6.400000      0.2285000       6.120000 0.3439000       6.680000      0.3008000     -0.5592000      0.4569000
  1 1 1      22   15   12 o    2.017000      0.4421000       2.642000 0.6640000       1.391000      0.5837000       1.252000      0.8841000
  1 1 1      22   15   13 o    7.722000      0.2006000       8.149000 0.2908000       7.295000      0.2764000      0.8539000      0.4012000
  1 1 1      22   15   14 o    10.20000      0.1963000       10.35000 0.2797000       10.06000      0.2755000      0.2851000      0.3926000
  1 1 1      22   15   15 o    14.45000      0.2268000       14.60000 0.3204000       14.30000      0.3212000      0.2974000      0.4537000
  1 1 1      22   15   16 f    13.26000      0.2125000       13.26000 0.2989000       13.27000      0.3022000     -0.1564000E-01  0.4251000
  1 1 1      22   15   17 o    1.824000      0.4075000       2.116000 0.5874000       1.533000      0.5648000      0.5830000      0.8149000
  1 1 1      22   15   18 o    7.441000      0.1733000       7.499000 0.2464000       7.383000      0.2438000      0.1162000      0.3466000
  1 1 1      22   15   19 o    7.384000      0.2775000       7.745000 0.2369000       7.022000      0.5020000      0.7231000      0.5551000
  1 1 1      22   15   20 o    10.59000      0.1933000       10.79000 0.2642000       10.40000      0.2824000      0.3917000      0.3867000
  1 1 1      22   15   21 o    1.575000      0.4921000       1.243000 0.5522000       1.907000      0.8147000     -0.6636000      0.9842000
  1 1 1      22   15   23 o    3.042000      0.7567000       2.602000 0.9979000       3.483000       1.138000     -0.8804000       1.513000
  1 1 1      22   15   24 o    3.401000      0.7932000       3.409000 1.085000       3.393000       1.157000      0.1618000E-01   1.586000
  1 1 1      22   15   25 o    4.283000      0.6431000       4.832000 0.7908000       3.734000       1.014000       1.098000       1.286000
  1 1 1      22   15   26 o    2.377000      0.6535000       2.633000 0.9529000       2.121000      0.8945000      0.5126000       1.307000
  1 1 1      22   15   27 o    2.197000      0.5906000       1.715000 0.7759000       2.679000      0.8908000     -0.9643000       1.181000
  1 1 1      22   15   28 o    4.944000      0.2649000       5.290000 0.3252000       4.598000      0.4183000      0.6921000      0.5298000
  1 1 1      22   15   29 o    2.895000      0.4304000       2.761000 0.6528000       3.028000      0.5609000     -0.2665000      0.8607000
  1 1 1      22   15   30 o    1.368000      0.4264000       1.247000 0.5770000       1.489000      0.6280000     -0.2421000      0.8528000
  1 1 1      22   16    0 o    2.077000      0.5186000       1.621000 0.7156000       2.534000      0.7507000     -0.9133000       1.037000
  1 1 1      22   16    1 o    5.108000      0.3254000       5.046000 0.4847000       5.171000      0.4342000     -0.1250000      0.6508000
  1 1 1      22   16    2 o    5.006000      0.5609000       3.696000 0.9253000       6.316000      0.6341000      -2.619000       1.122000
  1 1 1      22   16    3 o    8.387000      0.3608000       8.487000 0.4940000       8.287000      0.5261000      0.2005000      0.7216000
  1 1 1      22   16    4 o    7.507000      0.2441000       7.469000 0.3479000       7.546000      0.3425000     -0.7730000E-01  0.4882000
  1 1 1      22   16    5 o    3.571000      0.4131000       3.877000 0.5658000       3.265000      0.6021000      0.6119000      0.8262000
  1 1 1      22   16    6 o    5.545000      0.2955000       5.044000 0.4548000       6.047000      0.3774000      -1.003000      0.5910000
  1 1 1      22   16    7 o    11.19000      0.2249000       11.36000 0.3205000       11.02000      0.3156000      0.3336000      0.4498000
  1 1 1      22   16    8 o    13.80000      0.2366000       13.44000 0.3330000       14.16000      0.3363000     -0.7200000      0.4733000
  1 1 1      22   16    9 o    5.744000      0.2538000       5.916000 0.3737000       5.571000      0.3436000      0.3442000      0.5077000
  1 1 1      22   16   10 o    5.322000      0.2560000       5.421000 0.3856000       5.223000      0.3368000      0.1981000      0.5120000
  1 1 1      22   16   11 f    5.274000      0.2559000       4.988000 0.3974000       5.560000      0.3223000     -0.5723000      0.5117000
  1 1 1      22   16   12 o    7.554000      0.2042000       7.609000 0.3000000       7.498000      0.2771000      0.1106000      0.4084000
  1 1 1      22   16   13 o    10.28000      0.1996000       10.62000 0.2878000       9.936000      0.2766000      0.6802000      0.3992000
  1 1 1      22   16   14 o    6.972000      0.2009000       7.097000 0.2935000       6.847000      0.2743000      0.2494000      0.4018000
  1 1 1      22   16   15 o    4.542000      0.2405000       4.353000 0.3735000       4.731000      0.3030000     -0.3786000      0.4809000
  1 1 1      22   16   16 o    11.88000      0.2022000       12.13000 0.2855000       11.63000      0.2865000      0.5063000      0.4045000
  1 1 1      22   16   17 o    9.459000      0.1803000       9.320000 0.2520000       9.597000      0.2581000     -0.2778000      0.3607000
  1 1 1      22   16   18 o    1.879000      0.4206000       1.956000 0.5862000       1.802000      0.6032000      0.1537000      0.8411000
  1 1 1      22   16   19 o    12.57000      0.2061000       12.73000 0.2833000       12.42000      0.2995000      0.3127000      0.4122000
  1 1 1      22   16   20 o    7.547000      0.2021000       7.599000 0.2649000       7.496000      0.3053000      0.1023000      0.4042000
  1 1 1      22   16   21 o    2.979000      0.4645000       3.465000 0.4927000       2.493000      0.7876000      0.9718000      0.9290000
  1 1 1      22   16   22 o    5.468000      0.2897000       5.659000 0.3329000       5.278000      0.4742000      0.3802000      0.5794000
  1 1 1      22   16   23 o    1.896000      0.5136000       1.806000 0.6758000       1.986000      0.7735000     -0.1793000       1.027000
  1 1 1      22   16   24 o    8.356000      0.3552000       8.164000 0.6128000       8.548000      0.3594000     -0.3845000      0.7105000
  1 1 1      22   16   25 o    8.114000      0.2671000       8.381000 0.3040000       7.847000      0.4393000      0.5334000      0.5342000
  1 1 1      22   16   26 o    3.035000      0.4495000       3.136000 0.5575000       2.934000      0.7053000      0.2020000      0.8990000
  1 1 1      22   16   27 o    3.600000      0.5063000       3.600000 0.5063000                  ?              ?              ?              ?
  1 1 1      22   16   28 o    4.448000      0.3174000       4.724000 0.4030000       4.173000      0.4905000      0.5513000      0.6348000
  1 1 1      22   16   29 o    5.481000      0.4006000                  ?       ?   5.481000      0.4006000                  ?              ?
  1 1 1      22   16   30 o    2.847000      0.4704000       2.976000 0.6459000       2.718000      0.6841000      0.2584000      0.9408000
  1 1 1      22   17    0 o    11.80000      0.3354000       11.80000 0.4913000       11.79000      0.4566000      0.7083000E-02  0.6707000
  1 1 1      22   17    1 o    11.06000      0.2525000       10.99000 0.3680000       11.13000      0.3459000     -0.1352000      0.5051000
  1 1 1      22   17    2 f    5.088000      0.3388000       5.106000 0.4995000       5.069000      0.4578000      0.3734000E-01  0.6775000
  1 1 1      22   17    3 o    17.25000      0.4024000       16.81000 0.5528000       17.69000      0.5849000     -0.8829000      0.8048000
  1 1 1      22   17    4 o    5.696000      0.4703000       5.328000 0.6400000       6.063000      0.6894000     -0.7351000      0.9407000
  1 1 1      22   17    5 o    4.628000      0.3511000       5.034000 0.4738000       4.222000      0.5184000      0.8118000      0.7023000
  1 1 1      22   17    6 o    9.083000      0.2289000       9.238000 0.3320000       8.928000      0.3153000      0.3102000      0.4578000
  1 1 1      22   17    7 o    8.321000      0.2276000       8.437000 0.3295000       8.206000      0.3142000      0.2318000      0.4553000
  1 1 1      22   17    8 o    5.145000      0.2812000       5.300000 0.4178000       4.991000      0.3764000      0.3080000      0.5623000
  1 1 1      22   17    9 o    5.241000      0.2724000       5.606000 0.3827000       4.876000      0.3879000      0.7301000      0.5449000
  1 1 1      22   17   10 o    7.779000      0.2156000       7.646000 0.3183000       7.911000      0.2907000     -0.2643000      0.4311000
  1 1 1      22   17   11 o    1.630000      0.4572000       1.732000 0.6786000       1.528000      0.6128000      0.2040000      0.9144000
  1 1 1      22   17   12 o    6.894000      0.2155000       6.740000 0.3192000       7.049000      0.2897000     -0.3092000      0.4311000
  1 1 1      22   17   13 o    7.097000      0.2050000       7.337000 0.2976000       6.857000      0.2819000      0.4804000      0.4099000
  1 1 1      22   17   14 o    5.580000      0.2186000       5.474000 0.3215000       5.687000      0.2962000     -0.2137000      0.4372000
  1 1 1      22   17   15 o    13.12000      0.2140000       12.67000 0.2965000       13.56000      0.3086000     -0.8867000      0.4279000
  1 1 1      22   17   16 o    9.030000      0.1832000       9.113000 0.2560000       8.947000      0.2620000      0.1661000      0.3663000
  1 1 1      22   17   17 o    7.107000      0.1798000       7.273000 0.2526000       6.940000      0.2561000      0.3326000      0.3597000
  1 1 1      22   17   18 o    7.153000      0.1870000       7.181000 0.2515000       7.126000      0.2768000      0.5501000E-01  0.3740000
  1 1 1      22   17   19 o    7.575000      0.2044000       7.706000 0.2637000       7.445000      0.3123000      0.2611000      0.4087000
  1 1 1      22   17   20 f    7.427000      0.2100000       7.451000 0.2656000       7.404000      0.3253000      0.4688000E-01  0.4200000
  1 1 1      22   17   21 o    5.828000      0.2959000       6.069000 0.3348000       5.586000      0.4881000      0.4829000      0.5919000
  1 1 1      22   17   22 o    6.471000      0.2927000       6.612000 0.4101000       6.329000      0.4177000      0.2833000      0.5854000
  1 1 1      22   17   23 o    1.705000      0.4932000       1.727000 0.6619000       1.683000      0.7315000      0.4441000E-01  0.9865000
  1 1 1      22   17   24 o    5.127000      0.3168000       4.739000 0.4182000       5.514000      0.4760000     -0.7752000      0.6336000
  1 1 1      22   17   25 o    4.220000      0.3630000       4.306000 0.4339000       4.134000      0.5821000      0.1718000      0.7260000
  1 1 1      22   17   26 o    2.617000      0.5129000       2.857000 0.6372000       2.376000      0.8040000      0.4809000       1.026000
  1 1 1      22   17   27 o    3.350000      0.4374000       4.176000 0.4734000       2.524000      0.7355000       1.652000      0.8747000
  1 1 1      22   17   28 o    5.652000      0.2895000       5.770000 0.3945000       5.534000      0.4238000      0.2362000      0.5790000
  1 1 1      22   17   29 o    4.755000      0.4476000                  ?       ?   4.755000      0.4476000                  ?              ?
  1 1 1      22   18    0 o    6.620000      0.3296000       6.692000 0.4120000       6.548000      0.5146000      0.1442000      0.6592000
  1 1 1      22   18    1 o    12.67000      0.4640000                  ?       ?   12.67000      0.4640000                  ?              ?
  1 1 1      22   18    2 o    7.455000      0.3232000       8.076000 0.5389000       6.833000      0.3570000       1.244000      0.6464000
  1 1 1      22   18    3 o    9.970000      0.2377000       9.811000 0.3443000       10.13000      0.3277000     -0.3188000      0.4753000
  1 1 1      22   18    4 o    7.892000      0.2473000       7.915000 0.3615000       7.869000      0.3375000      0.4586000E-01  0.4946000
  1 1 1      22   18    5 o    10.46000      0.3547000       10.96000 0.4794000       9.971000      0.5228000      0.9864000      0.7093000
  1 1 1      22   18    6 o    12.31000      0.3488000       12.52000 0.4791000       12.09000      0.5070000      0.4358000      0.6976000
  1 1 1      22   18    7 o    8.150000      0.2308000       8.149000 0.3338000       8.151000      0.3187000     -0.2649000E-02  0.4616000
  1 1 1      22   18    8 o    8.819000      0.2211000       8.525000 0.3221000       9.114000      0.3030000     -0.5889000      0.4422000
  1 1 1      22   18    9 f    12.21000      0.2242000       12.14000 0.3233000       12.28000      0.3107000     -0.1437000      0.4484000
  1 1 1      22   18   10 o    10.79000      0.2145000       11.25000 0.3097000       10.33000      0.2968000      0.9239000      0.4290000
  1 1 1      22   18   11 o    6.784000      0.2200000       6.739000 0.3228000       6.829000      0.2990000     -0.9068000E-01  0.4400000
  1 1 1      22   18   12 o    8.936000      0.2091000       8.763000 0.2989000       9.109000      0.2926000     -0.3465000      0.4183000
  1 1 1      22   18   13 o    5.195000      0.2433000       4.878000 0.3684000       5.512000      0.3178000     -0.6340000      0.4866000
  1 1 1      22   18   14 o    10.42000      0.1974000       10.57000 0.2782000       10.26000      0.2800000      0.3088000      0.3947000
  1 1 1      22   18   15 o    9.471000      0.1894000       9.361000 0.2656000       9.582000      0.2700000     -0.2210000      0.3788000
  1 1 1      22   18   16 o    3.880000      0.2597000       3.982000 0.3716000       3.778000      0.3628000      0.2043000      0.5193000
  1 1 1      22   18   17 o    1.817000      0.3963000       1.232000 0.5457000       2.402000      0.5747000      -1.171000      0.7926000
  1 1 1      22   18   18 o    4.397000      0.2498000       4.214000 0.3479000       4.580000      0.3587000     -0.3654000      0.4997000
  1 1 1      22   18   19 o    3.882000      0.3410000       3.735000 0.4453000       4.029000      0.5164000     -0.2936000      0.6819000
  1 1 1      22   18   20 o    3.599000      0.4297000       4.101000 0.4292000       3.097000      0.7446000       1.003000      0.8594000
  1 1 1      22   18   21 o    5.867000      0.2971000       5.670000 0.3778000       6.065000      0.4587000     -0.3945000      0.5943000
  1 1 1      22   18   22 o    3.826000      0.4816000       4.343000 0.4934000       3.310000      0.8273000       1.033000      0.9633000
  1 1 1      22   18   23 o    3.511000      0.4986000       3.458000 0.6167000       3.564000      0.7838000     -0.1056000      0.9973000
  1 1 1      22   18   24 o    3.083000      0.5183000       2.867000 0.7065000       3.298000      0.7586000     -0.4308000       1.037000
  1 1 1      22   18   25 o    3.071000      0.5284000       3.139000 0.6864000       3.003000      0.8036000      0.1367000       1.057000
  1 1 1      22   18   26 o    1.372000      0.4536000       1.350000 0.6258000       1.394000      0.6570000     -0.4450000E-01  0.9073000
  1 1 1      22   18   27 o    1.758000      0.4891000       2.172000 0.7456000       1.344000      0.6332000      0.8276000      0.9782000
  1 1 1      22   18   28 o    4.105000      0.3641000       3.859000 0.5023000       4.352000      0.5273000     -0.4930000      0.7283000
  1 1 1      22   18   29 o    2.452000      0.5659000       2.136000 0.8318000       2.768000      0.7675000     -0.6322000       1.132000
  1 1 1      22   19    0 f    4.869000      0.3820000       4.571000 0.5897000       5.166000      0.4858000     -0.5948000      0.7640000
  1 1 1      22   19    1 o    19.67000      0.4313000                  ?       ?   19.67000      0.4313000                  ?              ?
  1 1 1      22   19    2 o    6.054000      0.4186000       5.984000 0.6762000       6.125000      0.4936000     -0.1415000      0.8371000
  1 1 1      22   19    3 o    10.56000      0.3224000       10.75000 0.4824000       10.37000      0.4280000      0.3765000      0.6449000
  1 1 1      22   19    4 o    12.54000      0.2419000       12.60000 0.3446000       12.48000      0.3395000      0.1231000      0.4837000
  1 1 1      22   19    5 o    9.238000      0.2360000       9.353000 0.3468000       9.124000      0.3202000      0.2287000      0.4720000
  1 1 1      22   19    6 o    6.231000      0.2658000       6.610000 0.3937000       5.852000      0.3573000      0.7578000      0.5317000
  1 1 1      22   19    7 o    3.823000      0.6184000       3.867000 0.8091000       3.778000      0.9354000      0.8946000E-01   1.237000
  1 1 1      22   19    8 o    3.830000      0.5854000       2.637000 0.9180000       5.023000      0.7266000      -2.385000       1.171000
  1 1 1      22   19    9 o    7.414000      0.2274000       7.347000 0.3386000       7.481000      0.3036000     -0.1341000      0.4548000
  1 1 1      22   19   10 o    3.491000      0.3742000       3.430000 0.5864000       3.552000      0.4650000     -0.1214000      0.7484000
  1 1 1      22   19   11 o    5.019000      0.2654000       4.888000 0.4086000       5.151000      0.3388000     -0.2633000      0.5308000
  1 1 1      22   19   12 o    13.62000      0.2277000       13.65000 0.3227000       13.59000      0.3214000      0.5164000E-01  0.4554000
  1 1 1      22   19   13 o    7.754000      0.2046000       8.080000 0.2882000       7.428000      0.2904000      0.6518000      0.4092000
  1 1 1      22   19   14 f    1.503000      0.4261000       1.715000 0.6456000       1.290000      0.5563000      0.4240000      0.8522000
  1 1 1      22   19   15 o    5.983000      0.2044000       5.962000 0.2924000       6.003000      0.2858000     -0.4130000E-01  0.4089000
  1 1 1      22   19   16 o    4.922000      0.2313000       4.752000 0.3355000       5.091000      0.3185000     -0.3395000      0.4626000
  1 1 1      22   19   17 o    6.890000      0.1983000       6.605000 0.2786000       7.175000      0.2822000     -0.5704000      0.3966000
  1 1 1      22   19   18 o    10.41000      0.2025000       10.38000 0.2744000       10.45000      0.2980000     -0.6858000E-01  0.4050000
  1 1 1      22   19   19 o    5.854000      0.2535000       5.909000 0.3178000       5.799000      0.3950000      0.1108000      0.5070000
  1 1 1      22   19   20 o    3.306000      0.5008000       3.677000 0.5378000       2.934000      0.8450000      0.7438000       1.002000
  1 1 1      22   19   21 o    4.915000      0.3606000       4.995000 0.4279000       4.834000      0.5806000      0.1609000      0.7213000
  1 1 1      22   19   22 o    2.859000      0.5305000       3.493000 0.6156000       2.226000      0.8640000       1.266000       1.061000
  1 1 1      22   19   23 o    3.503000      0.5037000       3.671000 0.5810000       3.336000      0.8230000      0.3350000       1.007000
  1 1 1      22   19   24 o    1.736000      0.5309000       1.717000 0.7184000       1.756000      0.7820000     -0.3873000E-01   1.062000
  1 1 1      22   19   25 o    3.737000      0.4947000       3.272000 0.7026000       4.202000      0.6966000     -0.9293000      0.9894000
  1 1 1      22   19   26 o    3.227000      0.5242000       2.321000 0.8119000       4.133000      0.6632000      -1.812000       1.048000
  1 1 1      22   19   27 o    1.316000      0.4411000       1.276000 0.6112000       1.357000      0.6362000     -0.8135000E-01  0.8822000
  1 1 1      22   19   28 o    2.027000      0.5243000       2.536000 0.7870000       1.517000      0.6929000       1.019000       1.049000
  1 1 1      22   19   29 o    2.732000      0.6318000       3.068000 0.8559000       2.397000      0.9296000      0.6712000       1.264000
  1 1 1      22   20    0 o    3.479000      0.4938000       3.433000 0.7303000       3.525000      0.6648000     -0.9227000E-01  0.9876000
  1 1 1      22   20    1 o    10.34000      0.2507000       10.04000 0.3639000       10.63000      0.3449000     -0.5886000      0.5014000
  1 1 1      22   20    2 f    10.72000      0.2464000       10.73000 0.3594000       10.70000      0.3373000      0.3106000E-01  0.4929000
  1 1 1      22   20    3 o    3.030000      0.4978000       3.798000 0.6487000       2.262000      0.7553000       1.537000      0.9957000
  1 1 1      22   20    4 o    7.471000      0.3220000       7.546000 0.4887000       7.396000      0.4195000      0.1504000      0.6441000
  1 1 1      22   20    5 o    7.391000      0.3287000       6.603000 0.5137000       8.179000      0.4101000      -1.577000      0.6573000
  1 1 1      22   20    6 o    8.737000      0.2366000       8.559000 0.3466000       8.916000      0.3220000     -0.3574000      0.4731000
  1 1 1      22   20    7 o    6.051000      0.2670000       6.392000 0.3992000       5.710000      0.3546000      0.6818000      0.5340000
  1 1 1      22   20    8 o    3.934000      0.3659000       4.131000 0.5289000       3.738000      0.5057000      0.3928000      0.7317000
  1 1 1      22   20    9 o    3.069000      0.6570000       3.226000 0.8914000       2.912000      0.9654000      0.3145000       1.314000
  1 1 1      22   20   10 o    2.659000      0.6485000       2.709000 0.8520000       2.610000      0.9779000      0.9902000E-01   1.297000
  1 1 1      22   20   11 o    8.638000      0.3440000       7.871000 0.4551000       9.406000      0.5158000      -1.535000      0.6879000
  1 1 1      22   20   12 o    6.747000      0.2173000       6.643000 0.3192000       6.851000      0.2950000     -0.2081000      0.4346000
  1 1 1      22   20   13 f    3.002000      0.3838000       3.067000 0.5671000       2.937000      0.5173000      0.1306000      0.7676000
  1 1 1      22   20   14 o    3.421000      0.3179000       3.411000 0.4633000       3.432000      0.4354000     -0.2175000E-01  0.6358000
  1 1 1      22   20   15 o    4.800000      0.2407000       4.871000 0.3402000       4.728000      0.3406000      0.1424000      0.4814000
  1 1 1      22   20   16 o    3.885000      0.3003000       3.946000 0.4063000       3.824000      0.4424000      0.1225000      0.6006000
  1 1 1      22   20   17 o    6.722000      0.2120000       6.810000 0.2870000       6.635000      0.3121000      0.1753000      0.4240000
  1 1 1      22   20   18 o    6.410000      0.2491000       6.524000 0.3104000       6.296000      0.3897000      0.2278000      0.4982000
  1 1 1      22   20   19 o    6.604000      0.2528000       6.692000 0.3251000       6.516000      0.3874000      0.1754000      0.5057000
  1 1 1      22   20   20 o    3.749000      0.4628000       3.710000 0.5667000       3.788000      0.7320000     -0.7832000E-01  0.9257000
  1 1 1      22   20   21 o    5.062000      0.4243000       5.252000 0.4285000       4.872000      0.7325000      0.3798000      0.8486000
  1 1 1      22   20   22 o    5.187000      0.3581000       5.030000 0.4451000       5.345000      0.5611000     -0.3143000      0.7161000
  1 1 1      22   20   23 o    2.359000      0.5702000       1.707000 0.7224000       3.012000      0.8823000      -1.305000       1.140000
  1 1 1      22   20   24 f    3.867000      0.4924000       3.547000 0.6846000       4.187000      0.7079000     -0.6399000      0.9848000
  1 1 1      22   20   25 o    2.053000      0.5520000       2.535000 0.8209000       1.571000      0.7382000      0.9641000       1.104000
  1 1 1      22   20   26 o    3.435000      0.5241000       4.170000 0.5825000       2.700000      0.8714000       1.470000       1.048000
  1 1 1      22   20   27 o    2.872000      0.5707000       2.316000 0.7974000       3.427000      0.8166000      -1.111000       1.141000
  1 1 1      22   20   28 o    1.632000      0.4974000       2.099000 0.8085000       1.165000      0.5798000      0.9335000      0.9949000
  1 1 1      22   21    0 o    2.240000      0.5652000       2.791000 0.8648000       1.689000      0.7280000       1.101000       1.130000
  1 1 1      22   21    1 o    4.265000      0.4135000       3.982000 0.6570000       4.549000      0.5021000     -0.5678000      0.8269000
  1 1 1      22   21    2 o    6.133000      0.3051000       6.490000 0.4502000       5.776000      0.4117000      0.7140000      0.6101000
  1 1 1      22   21    3 o    5.177000      0.3302000       5.585000 0.4778000       4.769000      0.4558000      0.8168000      0.6603000
  1 1 1      22   21    4 o    6.612000      0.2673000       6.994000 0.3911000       6.229000      0.3646000      0.7655000      0.5347000
  1 1 1      22   21    5 o    6.824000      0.2638000       6.794000 0.4074000       6.855000      0.3351000     -0.6136000E-01  0.5275000
  1 1 1      22   21    6 o    6.135000      0.3571000       6.280000 0.5927000       5.991000      0.3984000      0.2891000      0.7141000
  1 1 1      22   21    7 o    11.66000      0.3060000       11.70000 0.4582000       11.62000      0.4059000      0.7954000E-01  0.6121000
  1 1 1      22   21    8 o    11.19000      0.2982000       11.34000 0.4446000       11.05000      0.3976000      0.2886000      0.5964000
  1 1 1      22   21    9 o    7.295000      0.2340000       7.119000 0.3481000       7.470000      0.3129000     -0.3508000      0.4680000
  1 1 1      22   21   10 o    2.232000      0.4903000       2.062000 0.7367000       2.403000      0.6472000     -0.3414000      0.9806000
  1 1 1      22   21   11 o    8.965000      0.2139000       8.873000 0.3076000       9.056000      0.2973000     -0.1837000      0.4278000
  1 1 1      22   21   12 o    3.481000      0.4192000       3.756000 0.7059000       3.206000      0.4524000      0.5503000      0.8384000
  1 1 1      22   21   13 o    2.210000      0.6152000       2.144000 0.8121000       2.275000      0.9242000     -0.1319000       1.230000
  1 1 1      22   21   14 o    9.863000      0.3269000       9.645000 0.4230000       10.08000      0.4985000     -0.4375000      0.6537000
  1 1 1      22   21   15 o    4.865000      0.4854000       5.276000 0.5345000       4.454000      0.8105000      0.8216000      0.9708000
  1 1 1      22   21   16 o    6.826000      0.3650000       6.530000 0.4628000       7.123000      0.5645000     -0.5922000      0.7300000
  1 1 1      22   21   17 o    1.375000      0.4403000       1.288000 0.5866000       1.462000      0.6569000     -0.1738000      0.8806000
  1 1 1      22   21   18 o    2.320000      0.5214000       1.719000 0.6865000       2.921000      0.7850000      -1.201000       1.043000
  1 1 1      22   21   19 o    7.374000      0.2637000       7.785000 0.3312000       6.963000      0.4105000      0.8225000      0.5275000
  1 1 1      22   21   20 o    2.932000      0.5514000       2.435000 0.7782000       3.428000      0.7813000     -0.9936000       1.103000
  1 1 1      22   21   21 o    2.048000      0.5624000       1.470000 0.6709000       2.626000      0.9028000      -1.156000       1.125000
  1 1 1      22   21   22 o    1.802000      0.5477000       1.805000 0.7500000       1.799000      0.7983000      0.6428000E-02   1.095000
  1 1 1      22   21   23 o    4.141000      0.5039000       4.586000 0.5366000       3.696000      0.8530000      0.8902000       1.008000
  1 1 1      22   21   24 f    2.589000      0.6148000       2.625000 0.8207000       2.554000      0.9158000      0.7083000E-01   1.230000
  1 1 1      22   21   25 o    3.694000      0.5722000       4.359000 0.6454000       3.029000      0.9451000       1.330000       1.144000
  1 1 1      22   21   26 o    4.408000      0.4730000       4.518000 0.5929000       4.297000      0.7370000      0.2211000      0.9459000
  1 1 1      22   21   27 o    2.070000      0.5851000       1.777000 0.7704000       2.364000      0.8809000     -0.5869000       1.170000
  1 1 1      22   21   28 o    2.489000      0.8607000       2.489000 0.8607000                  ?              ?              ?              ?
  1 1 1      22   22    0 o    7.980000      0.2553000       8.326000 0.3835000       7.633000      0.3371000      0.6928000      0.5106000
  1 1 1      22   22    1 o    2.438000      0.5640000       2.404000 0.8471000       2.473000      0.7449000     -0.6944000E-01   1.128000
  1 1 1      22   22    2 o    6.697000      0.3609000       6.433000 0.6111000       6.961000      0.3841000     -0.5277000      0.7218000
  1 1 1      22   22    3 o    6.118000      0.2898000       6.257000 0.4354000       5.978000      0.3827000      0.2786000      0.5797000
  1 1 1      22   22    4 o    5.249000      0.3045000       5.543000 0.4527000       4.955000      0.4073000      0.5880000      0.6089000
  1 1 1      22   22    5 o    7.206000      0.2521000       7.637000 0.3709000       6.776000      0.3416000      0.8609000      0.5042000
  1 1 1      22   22    6 o    4.180000      0.3735000       3.945000 0.6094000       4.415000      0.4321000     -0.4704000      0.7470000
  1 1 1      22   22    7 o    5.839000      0.2675000       5.925000 0.3836000       5.753000      0.3729000      0.1719000      0.5350000
  1 1 1      22   22    8 o    10.91000      0.2246000       10.98000 0.3187000       10.85000      0.3167000      0.1305000      0.4493000
  1 1 1      22   22    9 o    7.823000      0.2979000       7.678000 0.4700000       7.968000      0.3662000     -0.2893000      0.5958000
  1 1 1      22   22   10 o    2.252000      0.4880000       1.754000 0.7513000       2.750000      0.6228000     -0.9962000      0.9759000
  1 1 1      22   22   11 o    11.93000      0.2853000       12.22000 0.4222000       11.65000      0.3838000      0.5686000      0.5706000
  1 1 1      22   22   12 f    4.407000      0.2760000       4.433000 0.4074000       4.381000      0.3723000      0.5179000E-01  0.5519000
  1 1 1      22   22   13 o    6.881000      0.2163000       6.612000 0.3177000       7.150000      0.2935000     -0.5377000      0.4326000
  1 1 1      22   22   14 o    11.21000      0.2098000       11.07000 0.2964000       11.35000      0.2971000     -0.2853000      0.4197000
  1 1 1      22   22   15 o    3.938000      0.3251000       4.106000 0.4424000       3.770000      0.4765000      0.3365000      0.6502000
  1 1 1      22   22   16 o    9.549000      0.2118000       9.220000 0.2927000       9.878000      0.3062000     -0.6581000      0.4236000
  1 1 1      22   22   17 o    5.451000      0.2868000       5.440000 0.3500000       5.462000      0.4544000     -0.2173000E-01  0.5736000
  1 1 1      22   22   18 o    4.597000      0.5224000       4.725000 0.6376000       4.470000      0.8277000      0.2552000       1.045000
  1 1 1      22   22   19 o    3.619000      0.5933000       4.464000 0.6668000       2.775000      0.9816000       1.690000       1.187000
  1 1 1      22   22   20 o    4.091000      0.5458000       3.849000 0.7401000       4.332000      0.8025000     -0.4828000       1.092000
  1 1 1      22   22   21 o    4.946000      0.4963000       4.230000 0.7110000       5.662000      0.6927000      -1.433000      0.9926000
  1 1 1      22   22   22 o    2.812000      0.6323000       3.240000 0.8427000       2.383000      0.9429000      0.8571000       1.265000
  1 1 1      22   22   23 o    2.967000      0.6618000       2.505000 0.8639000       3.428000       1.003000     -0.9231000       1.324000
  1 1 1      22   22   24 o    2.248000      0.6525000       1.935000 0.8337000       2.562000       1.004000     -0.6270000       1.305000
  1 1 1      22   22   25 o    5.163000      0.5188000       5.759000 0.5719000       4.568000      0.8656000       1.191000       1.038000
  1 1 1      22   22   26 o    2.922000      0.6508000       3.428000 0.8656000       2.416000      0.9720000       1.012000       1.302000
  1 1 1      22   22   27 o    2.176000      0.6597000       2.001000 0.8804000       2.351000      0.9826000     -0.3509000       1.319000
  1 1 1      22   23    0 o    2.135000      0.8026000       2.135000 0.8026000                  ?              ?              ?              ?
  1 1 1      22   23    1 o    7.287000      0.2790000       7.109000 0.4256000       7.465000      0.3610000     -0.3567000      0.5581000
  1 1 1      22   23    2 o    5.302000      0.4341000                  ?       ?   5.302000      0.4341000                  ?              ?
  1 1 1      22   23    3 o    5.703000      0.2993000       5.885000 0.4584000       5.521000      0.3851000      0.3642000      0.5987000
  1 1 1      22   23    4 o    7.803000      0.2589000       7.815000 0.3854000       7.791000      0.3458000      0.2389000E-01  0.5178000
  1 1 1      22   23    5 o    9.836000      0.2332000       10.00000 0.3369000       9.669000      0.3226000      0.3336000      0.4664000
  1 1 1      22   23    6 o    6.932000      0.2560000       7.014000 0.3695000       6.851000      0.3543000      0.1634000      0.5119000
  1 1 1      22   23    7 o    1.564000      0.4779000       1.650000 0.7125000       1.479000      0.6372000      0.1708000      0.9558000
  1 1 1      22   23    8 o    7.199000      0.2364000       7.293000 0.3456000       7.105000      0.3226000      0.1875000      0.4727000
  1 1 1      22   23    9 o    1.881000      0.4737000       1.546000 0.6589000       2.215000      0.6809000     -0.6693000      0.9475000
  1 1 1      22   23   10 o    5.076000      0.2676000       5.005000 0.4021000       5.146000      0.3533000     -0.1413000      0.5352000
  1 1 1      22   23   11 o    8.045000      0.2155000       8.221000 0.3100000       7.869000      0.2995000      0.3513000      0.4311000
  1 1 1      22   23   12 o    5.271000      0.2550000       4.970000 0.3742000       5.572000      0.3465000     -0.6015000      0.5100000
  1 1 1      22   23   13 o    3.177000      0.4750000       3.094000 0.7488000       3.260000      0.5847000     -0.1657000      0.9501000
  1 1 1      22   23   14 o    2.997000      0.5068000       3.481000 0.6931000       2.513000      0.7397000      0.9683000       1.014000
  1 1 1      22   23   15 o    2.788000      0.5017000       2.066000 0.7853000       3.510000      0.6245000      -1.444000       1.003000
  1 1 1      22   23   16 o    4.992000      0.4149000       4.826000 0.5979000       5.157000      0.5755000     -0.3311000      0.8299000
  1 1 1      22   23   17 o    8.872000      0.3278000       8.832000 0.4281000       8.913000      0.4965000     -0.8040000E-01  0.6556000
  1 1 1      22   23   18 o    1.877000      0.5247000       2.037000 0.7389000       1.717000      0.7452000      0.3199000       1.049000
  1 1 1      22   23   19 o    2.902000      0.5941000       2.617000 0.8172000       3.186000      0.8625000     -0.5688000       1.188000
  1 1 1      22   23   20 o    6.192000      0.4987000       7.180000 0.7888000       5.204000      0.6103000       1.976000      0.9973000
  1 1 1      22   23   21 o    2.134000      0.6043000       1.875000 0.7929000       2.394000      0.9121000     -0.5187000       1.209000
  1 1 1      22   23   22 o    2.592000      0.6037000       3.007000 0.7990000       2.177000      0.9052000      0.8301000       1.207000
  1 1 1      22   23   23 o    2.943000      0.6678000       2.657000 0.8962000       3.228000      0.9904000     -0.5714000       1.336000
  1 1 1      22   23   24 o    2.925000      0.6677000       2.589000 0.9016000       3.261000      0.9851000     -0.6717000       1.335000
  1 1 1      22   23   25 o    2.754000      0.6481000       2.823000 0.8647000       2.686000      0.9657000      0.1371000       1.296000
  1 1 1      22   23   26 o    2.861000      0.6376000       3.220000 0.8502000       2.502000      0.9503000      0.7182000       1.275000
  1 1 1      22   23   27 o    1.805000      0.8593000                  ?       ?   1.805000      0.8593000                  ?              ?
  1 1 1      22   24    0 o    4.632000      0.6061000       4.632000 0.6061000                  ?              ?              ?              ?
  1 1 1      22   24    1 o    4.077000      0.4535000       3.538000 0.7530000       4.617000      0.5056000      -1.079000      0.9069000
  1 1 1      22   24    2 o    2.315000      0.7522000                  ?       ?   2.315000      0.7522000                  ?              ?
  1 1 1      22   24    3 o    2.990000      0.5196000       2.518000 0.8497000       3.462000      0.5984000     -0.9437000       1.039000
  1 1 1      22   24    4 o    2.434000      0.5347000       2.213000 0.7777000       2.654000      0.7341000     -0.4411000       1.069000
  1 1 1      22   24    5 o    5.339000      0.3046000       5.322000 0.4473000       5.356000      0.4137000     -0.3386000E-01  0.6092000
  1 1 1      22   24    6 o    5.118000      0.3130000       5.140000 0.4612000       5.096000      0.4233000      0.4459000E-01  0.6261000
  1 1 1      22   24    7 o    7.052000      0.2463000       7.185000 0.3603000       6.919000      0.3359000      0.2659000      0.4926000
  1 1 1      22   24    8 o    4.989000      0.2949000       4.858000 0.4436000       5.120000      0.3888000     -0.2620000      0.5898000
  1 1 1      22   24    9 o    1.608000      0.4610000       1.474000 0.6462000       1.742000      0.6578000     -0.2682000      0.9221000
  1 1 1      22   24   10 o    4.281000      0.3215000       4.017000 0.4996000       4.544000      0.4047000     -0.5267000      0.6430000
  1 1 1      22   24   11 o    3.650000      0.3571000       3.539000 0.5428000       3.761000      0.4642000     -0.2226000      0.7142000
  1 1 1      22   24   12 o    6.793000      0.2285000       6.707000 0.3290000       6.878000      0.3171000     -0.1715000      0.4569000
  1 1 1      22   24   13 o    4.427000      0.3079000       4.260000 0.4521000       4.594000      0.4180000     -0.3340000      0.6157000
  1 1 1      22   24   14 o    4.994000      0.2966000       4.898000 0.4207000       5.089000      0.4181000     -0.1915000      0.5931000
  1 1 1      22   24   15 o    3.542000      0.4224000       3.598000 0.5455000       3.486000      0.6452000      0.1127000      0.8449000
  1 1 1      22   24   16 o    8.083000      0.2507000       7.675000 0.3285000       8.491000      0.3787000     -0.8156000      0.5013000
  1 1 1      22   24   17 o    3.808000      0.4551000       3.540000 0.6237000       4.075000      0.6630000     -0.5350000      0.9102000
  1 1 1      22   24   18 o    5.251000      0.3889000       5.490000 0.4661000       5.012000      0.6228000      0.4777000      0.7779000
  1 1 1      22   24   19 o    3.314000      0.5271000       4.509000 0.5975000       2.118000      0.8685000       2.391000       1.054000
  1 1 1      22   24   20 o    3.478000      0.9180000       3.277000 1.264000       3.678000       1.331000     -0.4006000       1.836000
  1 1 1      22   24   21 o    3.484000      0.9327000       2.708000 1.178000       4.259000       1.446000      -1.551000       1.865000
  1 1 1      22   24   22 o    3.628000      0.9671000       3.883000 1.346000       3.374000       1.389000      0.5091000       1.934000
  1 1 1      22   24   23 o    2.915000      0.9047000       3.026000 1.296000       2.805000       1.263000      0.2205000       1.809000
  1 1 1      22   24   24 o    3.443000      0.9544000       3.533000 1.336000       3.353000       1.364000      0.1806000       1.909000
  1 1 1      22   24   25 o    3.070000      0.9290000       2.873000 1.252000       3.267000       1.373000     -0.3942000       1.858000
  1 1 1      22   24   26 o    2.322000      0.7423000       2.456000 1.083000       2.189000       1.016000      0.2670000       1.485000
  1 1 1      22   25    0 o    2.432000      0.5840000       2.422000 0.8620000       2.442000      0.7880000     -0.2071000E-01   1.168000
  1 1 1      22   25    1 f    7.650000      0.2851000       7.276000 0.4310000       8.025000      0.3732000     -0.7485000      0.5701000
  1 1 1      22   25    2 o    7.166000      0.2877000       6.769000 0.4408000       7.562000      0.3697000     -0.7932000      0.5754000
  1 1 1      22   25    3 o    8.103000      0.2524000       8.081000 0.3604000       8.126000      0.3534000     -0.4462000E-01  0.5047000
  1 1 1      22   25    4 o    4.543000      0.3488000       4.849000 0.4824000       4.236000      0.5038000      0.6132000      0.6975000
  1 1 1      22   25    5 o    2.016000      0.5208000       2.326000 0.7988000       1.705000      0.6685000      0.6215000       1.042000
  1 1 1      22   25    6 o    2.545000      0.4920000       2.085000 0.7671000       3.005000      0.6162000     -0.9206000      0.9839000
  1 1 1      22   25    7 o    5.170000      0.2948000       5.586000 0.4192000       4.755000      0.4146000      0.8303000      0.5896000
  1 1 1      22   25    8 o    8.171000      0.2306000       8.242000 0.3336000       8.099000      0.3185000      0.1428000      0.4612000
  1 1 1      22   25    9 o    3.867000      0.3529000       3.840000 0.5361000       3.894000      0.4589000     -0.5410000E-01  0.7057000
  1 1 1      22   25   10 o    8.727000      0.2196000       8.585000 0.3148000       8.868000      0.3061000     -0.2830000      0.4391000
  1 1 1      22   25   11 o    3.707000      0.3821000       3.490000 0.5966000       3.924000      0.4775000     -0.4341000      0.7642000
  1 1 1      22   25   12 o    2.206000      0.5162000       2.235000 0.7414000       2.177000      0.7184000      0.5800000E-01   1.032000
  1 1 1      22   25   13 o    4.770000      0.3234000       4.189000 0.4868000       5.351000      0.4259000      -1.162000      0.6468000
  1 1 1      22   25   14 o    3.304000      0.4373000       2.935000 0.6679000       3.674000      0.5646000     -0.7388000      0.8746000
  1 1 1      22   25   15 o    4.672000      0.3609000       4.984000 0.4455000       4.359000      0.5678000      0.6246000      0.7217000
  1 1 1      22   25   16 o    3.810000      0.4518000       3.681000 0.6063000       3.940000      0.6700000     -0.2589000      0.9036000
  1 1 1      22   25   17 o    1.614000      0.5068000       1.686000 0.7192000       1.541000      0.7142000      0.1454000       1.014000
  1 1 1      22   25   18 o    4.992000      0.4315000       4.842000 0.5470000       5.142000      0.6674000     -0.2997000      0.8629000
  1 1 1      22   25   19 f    2.116000      0.6026000       1.807000 0.7780000       2.425000      0.9205000     -0.6178000       1.205000
  1 1 1      22   25   20 f    3.873000      0.5897000       3.775000 0.7500000       3.972000      0.9102000     -0.1972000       1.179000
  1 1 1      22   25   21 o    1.924000      0.5959000       1.974000 0.8324000       1.874000      0.8529000      0.1000000       1.192000
  1 1 1      22   25   22 o    2.601000      0.6763000       2.291000 0.8814000       2.911000       1.026000     -0.6209000       1.353000
  1 1 1      22   25   23 o    3.424000      0.6537000       3.495000 0.8411000       3.354000       1.001000      0.1409000       1.307000
  1 1 1      22   25   24 f    2.484000      0.6684000       2.715000 0.9349000       2.254000      0.9556000      0.4612000       1.337000
  1 1 1      22   25   25 o    3.522000      0.6982000       3.425000 0.9355000       3.619000       1.037000     -0.1940000       1.396000
  1 1 1      22   26    0 o    2.541000      0.5814000       2.672000 0.8383000       2.409000      0.8057000      0.2632000       1.163000
  1 1 1      22   26    1 o    3.950000      0.4732000       3.328000 0.7772000       4.571000      0.5399000      -1.243000      0.9463000
  1 1 1      22   26    2 o    1.878000      0.5234000       1.541000 0.7031000       2.216000      0.7756000     -0.6749000       1.047000
  1 1 1      22   26    3 o    6.260000      0.3094000       6.071000 0.4637000       6.449000      0.4098000     -0.3784000      0.6188000
  1 1 1      22   26    4 o    2.566000      0.5303000       2.168000 0.7934000       2.964000      0.7039000     -0.7964000       1.061000
  1 1 1      22   26    5 o    2.875000      0.4848000       3.070000 0.7171000       2.681000      0.6525000      0.3890000      0.9695000
  1 1 1      22   26    6 o    2.434000      0.5199000       2.554000 0.7659000       2.314000      0.7033000      0.2403000       1.040000
  1 1 1      22   26    7 o    2.457000      0.5126000       2.629000 0.7572000       2.285000      0.6912000      0.3445000       1.025000
  1 1 1      22   26    8 o    3.573000      0.4263000       3.401000 0.6800000       3.745000      0.5144000     -0.3446000      0.8526000
  1 1 1      22   26    9 o    2.358000      0.5122000       2.460000 0.7594000       2.257000      0.6875000      0.2024000       1.024000
  1 1 1      22   26   10 o    3.510000      0.4128000       3.469000 0.6283000       3.550000      0.5357000     -0.8150000E-01  0.8257000
  1 1 1      22   26   11 o    2.536000      0.5219000       2.458000 0.7451000       2.614000      0.7309000     -0.1563000       1.044000
  1 1 1      22   26   12 o    2.298000      0.5094000       1.692000 0.7092000       2.904000      0.7313000      -1.212000       1.019000
  1 1 1      22   26   13 o    2.254000      0.5369000       2.169000 0.7452000       2.339000      0.7730000     -0.1701000       1.074000
  1 1 1      22   26   14 o    5.456000      0.3240000       5.459000 0.4310000       5.453000      0.4840000      0.5602000E-02  0.6481000
  1 1 1      22   26   15 o    3.190000      0.5506000       3.395000 0.6986000       2.986000      0.8514000      0.4091000       1.101000
  1 1 1      22   26   16 o    3.362000      0.5383000       3.669000 0.6451000       3.055000      0.8618000      0.6141000       1.077000
  1 1 1      22   26   17 o    4.604000      0.4521000       4.391000 0.5770000       4.818000      0.6961000     -0.4272000      0.9041000
  1 1 1      22   26   18 o    4.300000      0.5225000       4.423000 0.6169000       4.176000      0.8434000      0.2473000       1.045000
  1 1 1      22   26   19 o    2.801000      0.6480000       3.053000 0.8665000       2.550000      0.9638000      0.5026000       1.296000
  1 1 1      22   26   20 o    2.045000      0.6237000       1.981000 0.8385000       2.109000      0.9235000     -0.1280000       1.247000
  1 1 1      22   26   21 o    2.633000      0.6840000       2.885000 0.9406000       2.380000      0.9934000      0.5049000       1.368000
  1 1 1      22   26   22 o    2.138000      0.6374000       2.205000 0.8929000       2.070000      0.9099000      0.1353000       1.275000
  1 1 1      22   26   23 o    3.092000      0.6670000       2.332000 0.9121000       3.852000      0.9734000      -1.520000       1.334000
  1 1 1      22   26   24 o    3.161000      0.7161000       3.176000 0.9603000       3.147000       1.063000      0.2976000E-01   1.432000
  1 1 1      22   27    0 o    8.819000      0.2756000       8.718000 0.4011000       8.920000      0.3782000     -0.2015000      0.5512000
  1 1 1      22   27    1 o    10.90000      0.3140000       11.56000 0.5291000       10.24000      0.3382000       1.318000      0.6279000
  1 1 1      22   27    2 o    6.000000      0.3212000       5.965000 0.4685000       6.035000      0.4394000     -0.7007000E-01  0.6424000
  1 1 1      22   27    3 o    4.415000      0.3999000       3.782000 0.6664000       5.049000      0.4423000      -1.266000      0.7998000
  1 1 1      22   27    4 o    4.410000      0.3806000       4.107000 0.6013000       4.714000      0.4666000     -0.6063000      0.7611000
  1 1 1      22   27    5 o    3.308000      0.4518000       3.558000 0.6579000       3.058000      0.6194000      0.5006000      0.9036000
  1 1 1      22   27    6 o    3.071000      0.4909000       3.159000 0.7281000       2.984000      0.6585000      0.1756000      0.9817000
  1 1 1      22   27    7 o    1.546000      0.4766000       1.361000 0.6332000       1.732000      0.7127000     -0.3712000      0.9533000
  1 1 1      22   27    8 o    3.270000      0.4734000       2.639000 0.7580000       3.902000      0.5674000      -1.263000      0.9468000
  1 1 1      22   27    9 o    7.377000      0.2492000       7.097000 0.3530000       7.657000      0.3519000     -0.5600000      0.4985000
  1 1 1      22   27   10 o    5.103000      0.3292000       5.388000 0.4416000       4.817000      0.4882000      0.5706000      0.6583000
  1 1 1      22   27   11 o    1.930000      0.5316000       2.091000 0.7670000       1.769000      0.7364000      0.3221000       1.063000
  1 1 1      22   27   12 o    4.343000      0.3794000       4.309000 0.5318000       4.377000      0.5412000     -0.6722000E-01  0.7588000
  1 1 1      22   27   13 f    4.836000      0.3463000       4.870000 0.4839000       4.802000      0.4956000      0.6889000E-01  0.6926000
  1 1 1      22   27   14 o    4.777000      0.3950000       4.792000 0.5145000       4.762000      0.5995000      0.2997000E-01  0.7900000
  1 1 1      22   27   15 o    2.660000      0.5991000       2.884000 0.8094000       2.436000      0.8835000      0.4476000       1.198000
  1 1 1      22   27   16 o    2.392000      0.6126000       2.439000 0.8358000       2.344000      0.8958000      0.9494000E-01   1.225000
  1 1 1      22   27   17 o    2.791000      0.6509000       2.653000 0.8638000       2.928000      0.9740000     -0.2750000       1.302000
  1 1 1      22   27   18 o    3.325000      0.6475000       3.249000 0.8495000       3.400000      0.9775000     -0.1506000       1.295000
  1 1 1      22   27   19 o    3.295000      0.6742000       3.531000 0.8402000       3.059000       1.055000      0.4724000       1.348000
  1 1 1      22   27   20 o    4.116000      0.6208000       5.415000 0.6199000       2.818000       1.076000       2.597000       1.242000
  1 1 1      22   27   21 o    2.392000      0.6812000       2.211000 0.8909000       2.572000       1.031000     -0.3606000       1.362000
  1 1 1      22   27   22 o    3.575000      0.6883000       3.500000 0.8996000       3.649000       1.042000     -0.1491000       1.377000
  1 1 1      22   27   23 o    2.615000      0.7147000       2.357000 0.9458000       2.873000       1.072000     -0.5166000       1.429000
  1 1 1      22   28    0 o    6.320000      0.6381000       6.551000 0.6252000       6.089000       1.113000      0.4625000       1.276000
  1 1 1      22   28    1 o    10.01000      0.5220000       10.01000 0.5220000                  ?              ?              ?              ?
  1 1 1      22   28    2 o    3.310000      0.5187000       3.191000 0.7876000       3.429000      0.6753000     -0.2380000       1.037000
  1 1 1      22   28    3 o    4.604000      0.4775000                  ?       ?   4.604000      0.4775000                  ?              ?
  1 1 1      22   28    4 o    2.025000      0.5401000       2.331000 0.8085000       1.718000      0.7164000      0.6131000       1.080000
  1 1 1      22   28    5 o    3.993000      0.4014000       4.251000 0.5953000       3.736000      0.5387000      0.5151000      0.8029000
  1 1 1      22   28    6 o    2.519000      0.5154000       3.279000 0.7241000       1.758000      0.7335000       1.521000       1.031000
  1 1 1      22   28    7 o    7.291000      0.2642000       6.878000 0.3793000       7.704000      0.3679000     -0.8258000      0.5284000
  1 1 1      22   28    8 o    4.066000      0.3933000       4.121000 0.5903000       4.011000      0.5200000      0.1099000      0.7866000
  1 1 1      22   28    9 o    2.172000      0.5449000       1.968000 0.7898000       2.376000      0.7510000     -0.4080000       1.090000
  1 1 1      22   28   10 o    3.840000      0.4438000       3.802000 0.6633000       3.878000      0.5899000     -0.7589000E-01  0.8877000
  1 1 1      22   28   11 o    10.09000      0.2397000       9.572000 0.3395000       10.62000      0.3385000      -1.045000      0.4794000
  1 1 1      22   28   12 o    6.141000      0.3058000       5.773000 0.4569000       6.508000      0.4067000     -0.7350000      0.6117000
  1 1 1      22   28   13 o    2.052000      0.5735000       2.158000 0.8208000       1.946000      0.8010000      0.2126000       1.147000
  1 1 1      22   28   14 o    2.448000      0.5817000       2.930000 0.8272000       1.966000      0.8180000      0.9642000       1.163000
  1 1 1      22   28   15 o    2.496000      0.6124000       2.793000 0.8589000       2.200000      0.8731000      0.5928000       1.225000
  1 1 1      22   28   16 o    2.610000      0.6574000       2.721000 0.9029000       2.499000      0.9558000      0.2223000       1.315000
  1 1 1      22   28   17 o    2.643000      0.6526000       1.993000 0.8522000       3.293000      0.9886000      -1.300000       1.305000
  1 1 1      22   28   18 o    3.085000      0.6784000       3.497000 0.9204000       2.674000      0.9969000      0.8222000       1.357000
  1 1 1      22   28   19 o    2.805000      0.6771000       3.447000 0.9629000       2.163000      0.9523000       1.284000       1.354000
  1 1 1      22   28   20 o    2.614000      0.6931000       2.168000 0.9111000       3.061000       1.045000     -0.8923000       1.386000
  1 1 1      22   28   21 o    3.377000      0.7252000       3.214000 0.9779000       3.541000       1.071000     -0.3269000       1.450000
  1 1 1      22   28   22 o    2.680000      0.6887000       1.641000 0.7879000       3.718000       1.130000      -2.077000       1.377000
  1 1 1      22   29    0 o    2.683000      0.5531000       2.003000 0.8467000       3.363000      0.7119000      -1.360000       1.106000
  1 1 1      22   29    1 o    3.123000      0.8650000       3.123000 0.8650000                  ?              ?              ?              ?
  1 1 1      22   29    2 o    4.614000      0.3896000       4.152000 0.6037000       5.077000      0.4926000     -0.9255000      0.7791000
  1 1 1      22   29    3 o    3.770000       1.183000                  ?       ?   3.770000       1.183000                  ?              ?
  1 1 1      22   29    4 o    3.161000      0.7606000       3.323000 0.9969000       3.000000       1.149000      0.3227000       1.521000
  1 1 1      22   29    5 o    5.258000      0.5987000       5.203000 0.7263000       5.312000      0.9520000     -0.1088000       1.197000
  1 1 1      22   29    6 o    5.824000      0.3024000       5.821000 0.4744000       5.828000      0.3751000     -0.6781000E-02  0.6048000
  1 1 1      22   29    7 o    6.637000      0.3083000       6.355000 0.4760000       6.919000      0.3919000     -0.5638000      0.6166000
  1 1 1      22   29    8 o    7.793000      0.2766000       7.750000 0.4049000       7.837000      0.3770000     -0.8659000E-01  0.5533000
  1 1 1      22   29    9 f    4.020000      0.4616000       4.103000 0.6444000       3.936000      0.6612000      0.1667000      0.9233000
  1 1 1      22   29   10 o    5.148000      0.3667000       4.758000 0.5479000       5.537000      0.4874000     -0.7793000      0.7333000
  1 1 1      22   29   11 f    6.157000      0.5511000       6.932000 0.4077000       5.382000       1.024000       1.551000       1.102000
  1 1 1      22   29   12 o    4.108000      0.4853000       3.858000 0.6958000       4.358000      0.6768000     -0.4993000      0.9707000
  1 1 1      22   29   13 o    1.875000      0.5665000       2.048000 0.8227000       1.702000      0.7790000      0.3458000       1.133000
  1 1 1      22   29   14 o    3.366000      0.6198000       3.326000 0.8380000       3.406000      0.9134000     -0.8056000E-01   1.240000
  1 1 1      22   29   15 o    3.152000      0.6501000       2.897000 0.9009000       3.408000      0.9375000     -0.5111000       1.300000
  1 1 1      22   29   16 o    2.040000      0.6024000       2.420000 0.9119000       1.659000      0.7876000      0.7609000       1.205000
  1 1 1      22   29   17 o    4.286000      0.5938000       4.141000 0.8224000       4.431000      0.8568000     -0.2894000       1.188000
  1 1 1      22   29   18 o    2.669000      0.6682000       1.895000 0.8462000       3.443000       1.034000      -1.548000       1.336000
  1 1 1      22   29   19 o    2.646000      0.7066000       2.221000 0.8977000       3.072000       1.091000     -0.8516000       1.413000
  1 1 1      22   29   20 o    2.528000      0.7002000       2.031000 0.8619000       3.025000       1.104000     -0.9945000       1.400000
  1 1 1      22   29   21 o    2.519000      0.7084000       1.932000 0.8749000       3.105000       1.114000      -1.173000       1.417000
  1 1 1      22   30    0 o    4.235000      0.6304000       3.966000 1.086000       4.505000      0.6409000     -0.5390000       1.261000
  1 1 1      22   30    1 f    5.102000      0.5267000       5.044000 0.8944000       5.159000      0.5567000     -0.1150000       1.053000
  1 1 1      22   30    2 o    4.687000      0.5409000       4.380000 0.9718000       4.995000      0.4751000     -0.6151000       1.082000
  1 1 1      22   30    3 o    1.839000      0.5365000       1.574000 0.7223000       2.105000      0.7935000     -0.5317000       1.073000
  1 1 1      22   30    4 o    3.832000      0.5158000       3.229000 0.8678000       4.435000      0.5578000      -1.206000       1.032000
  1 1 1      22   30    5 o    4.024000      0.4908000       3.857000 0.7659000       4.191000      0.6139000     -0.3340000      0.9816000
  1 1 1      22   30    6 o    2.764000      0.5918000       3.111000 0.8653000       2.417000      0.8076000      0.6938000       1.184000
  1 1 1      22   30    7 o    2.621000      0.5817000       2.175000 0.9199000       3.066000      0.7122000     -0.8905000       1.163000
  1 1 1      22   30    8 o    3.019000      0.7627000       2.466000 0.9632000       3.572000       1.183000      -1.106000       1.525000
  1 1 1      22   30    9 o    4.585000      0.7304000       3.985000 0.9091000       5.185000       1.144000      -1.200000       1.461000
  1 1 1      22   30   10 o    2.554000      0.7464000       2.131000 0.9009000       2.978000       1.190000     -0.8479000       1.493000
  1 1 1      22   30   11 o    3.023000      0.7370000       1.841000 0.8335000       4.205000       1.216000      -2.365000       1.474000
  1 1 1      22   30   12 o    2.604000      0.7481000       2.463000 0.9428000       2.745000       1.162000     -0.2817000       1.496000
  1 1 1      22   30   13 o    2.602000      0.6497000       2.510000 0.8889000       2.693000      0.9479000     -0.1826000       1.299000
  1 1 1      22   30   14 o    3.568000      0.6577000       3.463000 0.8764000       3.672000      0.9809000     -0.2094000       1.315000
  1 1 1      22   30   15 o    2.838000      0.7217000       3.006000 1.020000       2.669000       1.022000      0.3368000       1.443000
  1 1 1      22   30   16 o    2.544000      0.7058000       2.245000 0.9486000       2.842000       1.045000     -0.5968000       1.412000
  1 1 1      22   30   17 o    1.991000      0.6288000       1.743000 0.8118000       2.240000      0.9603000     -0.4978000       1.258000
  1 1 1      22   30   18 o    2.322000      0.6793000       2.076000 0.8863000       2.568000       1.030000     -0.4918000       1.359000
  1 1 1      22   30   19 o    3.084000      0.7408000       3.322000 0.9938000       2.846000       1.099000      0.4757000       1.482000
  1 1 1      22   30   20 o    2.402000      0.7163000       2.097000 0.9204000       2.706000       1.098000     -0.6083000       1.433000
  1 1 1      22   31    0 o    7.677000      0.3038000       7.591000 0.4388000       7.764000      0.4202000     -0.1729000      0.6076000
  1 1 1      22   31    1 o    1.894000      0.5660000       1.962000 0.8240000       1.825000      0.7763000      0.1376000       1.132000
  1 1 1      22   31    2 o    2.742000      0.5731000       2.082000 0.8614000       3.402000      0.7561000      -1.320000       1.146000
  1 1 1      22   31    3 o    3.547000      0.6566000       3.295000 1.101000       3.798000      0.7154000     -0.5025000       1.313000
  1 1 1      22   31    4 o    3.956000      0.6331000       3.497000 1.012000       4.415000      0.7605000     -0.9183000       1.266000
  1 1 1      22   31    5 o    2.693000      0.6750000       3.364000 1.075000       2.021000      0.8165000       1.343000       1.350000
  1 1 1      22   31    6 o    2.743000      0.6461000       2.439000 0.9876000       3.048000      0.8333000     -0.6082000       1.292000
  1 1 1      22   31    7 o    2.287000      0.6587000       2.414000 0.9921000       2.160000      0.8666000      0.2534000       1.317000
  1 1 1      22   31    8 o    1.888000      0.5705000       2.032000 0.8280000       1.744000      0.7851000      0.2871000       1.141000
  1 1 1      22   31    9 o    2.977000      0.5793000       2.142000 0.8529000       3.813000      0.7842000      -1.671000       1.159000
  1 1 1      22   31   10 o    5.417000      0.4375000       5.158000 0.6251000       5.675000      0.6124000     -0.5173000      0.8751000
  1 1 1      22   31   11 o    3.734000      0.6137000       4.201000 0.7886000       3.267000      0.9406000      0.9344000       1.227000
  1 1 1      22   31   12 o    3.079000      0.6729000       2.689000 0.9519000       3.469000      0.9512000     -0.7808000       1.346000
  1 1 1      22   31   13 o    2.831000      0.6890000       3.253000 0.9821000       2.408000      0.9665000      0.8453000       1.378000
  1 1 1      22   31   14 o    2.904000      0.7029000       2.986000 0.9816000       2.821000       1.006000      0.1646000       1.406000
  1 1 1      22   31   15 o    3.032000      0.7447000       2.901000 1.073000       3.164000       1.033000     -0.2629000       1.489000
  1 1 1      22   31   16 o    2.709000      0.7105000       2.370000 0.9916000       3.048000       1.018000     -0.6782000       1.421000
  1 1 1      22   31   17 o    3.066000      0.7587000       3.707000 1.063000       2.426000       1.083000       1.282000       1.517000
  1 1 1      22   31   18 f    3.168000      0.8389000       2.921000 1.121000       3.415000       1.249000     -0.4941000       1.678000
  1 1 1      22   31   19 o    2.444000      0.7509000       2.505000 1.051000       2.383000       1.073000      0.1227000       1.502000
  1 1 1      22   32    0 o    6.264000      0.3801000       5.499000 0.6156000       7.029000      0.4461000      -1.529000      0.7602000
  1 1 1      22   32    1 o    2.061000      0.5964000       2.106000 0.8830000       2.015000      0.8018000      0.9053000E-01   1.193000
  1 1 1      22   32    2 o    2.794000      0.6103000       2.908000 0.8921000       2.681000      0.8332000      0.2267000       1.221000
  1 1 1      22   32    3 o    3.451000      0.5810000       3.832000 0.7787000       3.070000      0.8625000      0.7618000       1.162000
  1 1 1      22   32    4 o    3.197000      0.5774000       2.469000 0.8853000       3.926000      0.7413000      -1.456000       1.155000
  1 1 1      22   32    5 o    2.011000      0.5898000       2.000000 0.8461000       2.022000      0.8220000     -0.2254000E-01   1.180000
  1 1 1      22   32    6 o    2.567000      0.6518000       2.402000 0.9022000       2.732000      0.9409000     -0.3292000       1.304000
  1 1 1      22   32    7 o    1.834000      0.5787000       1.908000 0.8414000       1.761000      0.7946000      0.1468000       1.157000
  1 1 1      22   32    8 f    2.518000      0.6791000       2.067000 0.8757000       2.968000       1.038000     -0.9013000       1.358000
  1 1 1      22   32    9 o    2.478000      0.7170000       2.406000 1.044000       2.551000      0.9830000     -0.1453000       1.434000
  1 1 1      22   32   10 f    6.709000      0.5273000       7.010000 0.7762000       6.408000      0.7140000      0.6020000       1.055000
  1 1 1      22   32   11 o    3.420000      0.8209000       4.221000 1.257000       2.620000       1.056000       1.601000       1.642000
  1 1 1      22   32   12 o    3.130000      0.8268000       3.854000 1.306000       2.407000       1.014000       1.447000       1.654000
  1 1 1      22   32   13 o    3.879000      0.7322000       5.625000 1.115000       2.133000      0.9494000       3.492000       1.464000
  1 1 1      22   32   14 o    2.728000      0.8319000       2.476000 1.144000       2.979000       1.208000     -0.5034000       1.664000
  1 1 1      22   32   15 o    2.878000      0.8674000       3.657000 1.410000       2.099000       1.010000       1.557000       1.735000
  1 1 1      22   32   16 o    3.195000      0.9207000       3.252000 1.357000       3.137000       1.245000      0.1156000       1.841000
  1 1 1      22   32   17 o    2.684000      0.8195000       2.895000 1.272000       2.474000       1.033000      0.4211000       1.639000
  1 1 1      22   33    0 o    3.427000      0.6171000       2.516000 0.9497000       4.339000      0.7884000      -1.823000       1.234000
  1 1 1      22   33    1 o    2.750000      0.6600000       2.482000 0.9353000       3.018000      0.9314000     -0.5357000       1.320000
  1 1 1      22   33    2 o    2.402000      0.9340000       2.402000 0.9340000                  ?              ?              ?              ?
  1 1 1      22   33    3 o    3.283000      0.6357000       3.842000 0.8919000       2.724000      0.9061000       1.118000       1.271000
  1 1 1      22   33    4 o    1.854000      0.7915000                  ?       ?   1.854000      0.7915000                  ?              ?
  1 1 1      22   33    5 o    3.407000      0.6529000       3.609000 0.9180000       3.205000      0.9286000      0.4040000       1.306000
  1 1 1      22   33    6 o    5.127000      0.4994000       4.366000 0.7833000       5.889000      0.6196000      -1.523000      0.9988000
  1 1 1      22   33    7 o    2.781000      0.6717000       2.370000 0.9395000       3.191000      0.9603000     -0.8207000       1.343000
  1 1 1      22   33    8 o    1.844000      0.5954000       1.772000 0.8187000       1.916000      0.8649000     -0.1435000       1.191000
  1 1 1      22   33    9 o    3.483000      0.7110000       3.460000 1.012000       3.506000      0.9991000     -0.4639000E-01   1.422000
  1 1 1      22   33   10 o    4.002000      0.6548000       4.364000 0.9112000       3.640000      0.9406000      0.7239000       1.310000
  1 1 1      22   33   11 o    2.720000      0.7064000       2.615000 0.9893000       2.824000       1.009000     -0.2095000       1.413000
  1 1 1      22   33   12 o    2.368000      0.6763000       2.428000 0.9698000       2.309000      0.9430000      0.1184000       1.353000
  1 1 1      22   33   13 o    3.923000      0.7051000       3.786000 0.9722000       4.060000       1.021000     -0.2749000       1.410000
  1 1 1      22   33   14 o    2.509000      0.7292000       2.477000 1.019000       2.542000       1.044000     -0.6532000E-01   1.458000
  1 1 1      22   33   15 o    3.520000      0.7020000       4.473000 0.9325000       2.568000       1.049000       1.905000       1.404000
  1 1 1      22   34    0 o    2.880000      0.6655000       2.332000 0.9583000       3.427000      0.9237000      -1.095000       1.331000
  1 1 1      22   34    1 o    2.512000      0.6787000       2.297000 0.9687000       2.727000      0.9509000     -0.4302000       1.357000
  1 1 1      22   34    2 o    4.162000      0.9528000       4.162000 0.9528000                  ?              ?              ?              ?
  1 1 1      22   34    3 o    3.482000      0.6518000       3.154000 1.012000       3.810000      0.8219000     -0.6559000       1.304000
  1 1 1      22   34    4 o    5.424000      0.6251000                  ?       ?   5.424000      0.6251000                  ?              ?
  1 1 1      22   34    5 o    2.268000      0.6499000       1.991000 0.8677000       2.545000      0.9677000     -0.5543000       1.300000
  1 1 1      22   34    6 o    3.333000      0.6857000       2.806000 0.9820000       3.860000      0.9574000      -1.054000       1.371000
  1 1 1      22   34    7 o    3.397000      0.6922000       3.108000 1.028000       3.686000      0.9271000     -0.5780000       1.384000
  1 1 1      22   34    8 o    2.379000      0.6639000       2.872000 1.028000       1.886000      0.8399000      0.9865000       1.328000
  1 1 1      22   34    9 o    2.909000      0.6918000       3.560000 1.017000       2.258000      0.9387000       1.302000       1.384000
  1 1 1      22   34   10 o    2.544000      0.7162000       2.599000 1.026000       2.489000      0.9994000      0.1096000       1.432000
  1 1 1      22   34   11 o    3.181000      0.7349000       2.941000 1.057000       3.422000       1.022000     -0.4810000       1.470000
  1 1 1      22   34   12 o    2.468000      0.7031000       2.703000 1.032000       2.233000      0.9548000      0.4707000       1.406000
  1 1 1      22   34   13 o    3.885000      0.7397000       4.344000 0.9653000       3.426000       1.121000      0.9184000       1.479000
  1 1 1      22   35    0 o    3.650000      0.6965000       4.021000 0.9979000       3.278000      0.9719000      0.7437000       1.393000
  1 1 1      22   35    1 o    2.476000      0.6884000       2.391000 0.9774000       2.561000      0.9698000     -0.1703000       1.377000
  1 1 1      22   35    2 o    2.213000      0.6399000       1.804000 0.8384000       2.621000      0.9670000     -0.8164000       1.280000
  1 1 1      22   35    3 f    4.143000      0.6396000       4.273000 0.9175000       4.012000      0.8913000      0.2610000       1.279000
  1 1 1      22   35    4 o    2.240000      0.6342000       1.597000 0.7617000       2.882000       1.014000      -1.286000       1.268000
  1 1 1      22   35    5 o    2.353000      0.6709000       2.400000 0.9524000       2.306000      0.9451000      0.9410000E-01   1.342000
  1 1 1      22   35    6 o    2.087000      0.6454000       1.895000 0.8603000       2.279000      0.9622000     -0.3846000       1.291000
  1 1 1      22   35    7 o    2.172000      0.6602000       2.047000 0.9198000       2.296000      0.9472000     -0.2494000       1.320000
  1 1 1      22   35    8 o    3.409000      0.7346000       3.348000 1.091000       3.470000      0.9842000     -0.1220000       1.469000
  1 1 1      22   35    9 o    4.223000      0.6684000       4.249000 0.9864000       4.197000      0.9023000      0.5216000E-01   1.337000
  1 1 1      22   35   10 o    3.036000      0.7133000       2.393000 0.9880000       3.679000       1.029000      -1.286000       1.427000
  1 1 1      22   35   11 o    2.231000       1.067000                  ?       ?   2.231000       1.067000                  ?              ?
  1 1 1      22   36    0 o    2.355000      0.6947000       2.156000 0.9389000       2.554000       1.024000     -0.3980000       1.389000
  1 1 1      22   36    1 o    2.108000      0.6484000       1.950000 0.8823000       2.266000      0.9505000     -0.3156000       1.297000
  1 1 1      22   36    2 o    2.173000      0.6692000       2.260000 0.9726000       2.086000      0.9193000      0.1736000       1.338000
  1 1 1      22   36    3 o    2.202000      0.6472000       2.726000 1.019000       1.678000      0.7986000       1.048000       1.294000
  1 1 1      22   36    4 o    2.819000      0.7095000       2.377000 0.9836000       3.260000       1.023000     -0.8831000       1.419000
  1 1 1      22   36    5 o    1.994000      0.6369000       1.935000 0.8918000       2.054000      0.9096000     -0.1188000       1.274000
  1 1 1      22   36    6 o    2.981000      0.6706000       3.953000 1.001000       2.009000      0.8926000       1.944000       1.341000
  1 1 1      22   36    7 o    3.915000       1.420000                  ?       ?   3.915000       1.420000                  ?              ?
  1 1 1      23  -16    0 o    2.986000      0.6841000       3.017000 0.9829000       2.955000      0.9518000      0.6190000E-01   1.368000
  1 1 1      23  -16    1 o    1.937000      0.6027000       1.766000 0.8108000       2.107000      0.8919000     -0.3408000       1.205000
  1 1 1      23  -16    2 o    2.337000      0.6375000       2.006000 0.8642000       2.667000      0.9375000     -0.6611000       1.275000
  1 1 1      23  -16    3 f    2.972000      0.6624000       2.796000 0.9327000       3.147000      0.9409000     -0.3506000       1.325000
  1 1 1      23  -16    4 o    2.776000      0.6700000       2.632000 0.9585000       2.920000      0.9366000     -0.2880000       1.340000
  1 1 1      23  -16    5 o    2.740000       1.075000                  ?       ?   2.740000       1.075000                  ?              ?
  1 1 1      23  -15    0 o    4.011000      0.5903000       3.886000 0.8670000       4.135000      0.8013000     -0.2492000       1.181000
  1 1 1      23  -15    1 o    3.567000      0.6259000       3.598000 0.8684000       3.535000      0.9017000      0.6296000E-01   1.252000
  1 1 1      23  -15    2 o    1.990000      0.5954000       1.780000 0.7930000       2.201000      0.8883000     -0.4205000       1.191000
  1 1 1      23  -15    3 o    2.730000      0.7646000       3.006000 1.087000       2.454000       1.076000      0.5521000       1.529000
  1 1 1      23  -15    4 o    2.402000      0.7213000       1.881000 0.8838000       2.923000       1.140000      -1.041000       1.443000
  1 1 1      23  -15    5 f    3.759000      0.6008000       3.377000 0.9211000       4.140000      0.7717000     -0.7635000       1.202000
  1 1 1      23  -15    6 f    2.857000      0.6452000       2.765000 0.9026000       2.948000      0.9221000     -0.1822000       1.290000
  1 1 1      23  -15    7 o    5.167000      0.6676000       4.542000 1.041000       5.792000      0.8364000      -1.250000       1.335000
  1 1 1      23  -15    8 o    3.575000      0.7695000       3.474000 1.107000       3.675000       1.069000     -0.2017000       1.539000
  1 1 1      23  -15    9 o    1.871000      0.5892000       1.975000 0.8594000       1.767000      0.8063000      0.2079000       1.178000
  1 1 1      23  -14    0 o    6.329000      0.3736000       6.757000 0.5125000       5.902000      0.5439000      0.8549000      0.7473000
  1 1 1      23  -14    1 o    7.227000      0.5549000       7.888000 0.6258000       6.566000      0.9166000       1.322000       1.110000
  1 1 1      23  -14    2 o    3.175000      0.7334000       2.880000 0.8116000       3.471000       1.222000     -0.5909000       1.467000
  1 1 1      23  -14    3 o    3.152000      0.6183000       2.707000 0.9052000       3.597000      0.8424000     -0.8905000       1.237000
  1 1 1      23  -14    4 o    4.062000      0.5453000       4.697000 0.6915000       3.428000      0.8432000       1.269000       1.091000
  1 1 1      23  -14    5 o    2.661000      0.7114000       2.594000 1.058000       2.729000      0.9511000     -0.1349000       1.423000
  1 1 1      23  -14    6 f    1.776000      0.5722000       1.758000 0.8321000       1.795000      0.7856000     -0.3657000E-01   1.144000
  1 1 1      23  -14    7 o    4.670000      0.4986000       5.236000 0.5887000       4.105000      0.8050000       1.131000      0.9973000
  1 1 1      23  -14    8 o    3.541000      0.5911000       4.121000 0.7471000       2.960000      0.9162000       1.161000       1.182000
  1 1 1      23  -14    9 o    3.555000      0.5920000       4.219000 0.7292000       2.891000      0.9328000       1.329000       1.184000
  1 1 1      23  -14   10 o    3.590000      0.5951000       4.224000 0.7381000       2.956000      0.9337000       1.267000       1.190000
  1 1 1      23  -14   11 o    3.091000      0.6496000       2.904000 0.9384000       3.277000      0.8984000     -0.3724000       1.299000
  1 1 1      23  -14   12 o    2.367000      0.6276000       2.886000 0.9381000       1.849000      0.8339000       1.037000       1.255000
  1 1 1      23  -13    0 o    3.257000      0.7065000       3.522000 0.7508000       2.992000       1.197000      0.5298000       1.413000
  1 1 1      23  -13    1 o    4.901000      0.4412000       5.054000 0.6257000       4.749000      0.6221000      0.3053000      0.8823000
  1 1 1      23  -13    2 o    4.214000      0.5725000       3.557000 0.8542000       4.870000      0.7623000      -1.313000       1.145000
  1 1 1      23  -13    3 o    2.184000      0.6599000       2.054000 0.9227000       2.314000      0.9437000     -0.2604000       1.320000
  1 1 1      23  -13    4 o    4.006000      0.5074000       4.006000 0.6924000       4.006000      0.7419000     -0.2618000E-03   1.015000
  1 1 1      23  -13    5 o    5.742000      0.3684000       5.896000 0.5188000       5.588000      0.5231000      0.3084000      0.7367000
  1 1 1      23  -13    6 o    7.868000      0.2969000       7.838000 0.4238000       7.899000      0.4158000     -0.6096000E-01  0.5937000
  1 1 1      23  -13    7 o    7.267000      0.3187000       7.496000 0.4339000       7.038000      0.4670000      0.4580000      0.6374000
  1 1 1      23  -13    8 o    2.887000      0.5870000       3.561000 0.7687000       2.214000      0.8872000       1.347000       1.174000
  1 1 1      23  -13    9 o    4.943000      0.4397000       5.148000 0.5894000       4.739000      0.6526000      0.4088000      0.8793000
  1 1 1      23  -13   10 o    1.939000      0.5792000       2.150000 0.8577000       1.727000      0.7785000      0.4234000       1.158000
  1 1 1      23  -13   11 o    4.898000      0.4628000       4.598000 0.6800000       5.198000      0.6281000     -0.5993000      0.9257000
  1 1 1      23  -13   12 o    3.352000      0.6070000       3.681000 0.7930000       3.023000      0.9193000      0.6583000       1.214000
  1 1 1      23  -13   13 o    2.594000      0.6359000       2.224000 0.8733000       2.964000      0.9245000     -0.7408000       1.272000
  1 1 1      23  -13   14 o    2.962000      0.6000000       3.844000 0.8222000       2.079000      0.8740000       1.765000       1.200000
  1 1 1      23  -12    0 o    1.869000      0.5461000       2.399000 0.8778000       1.339000      0.6500000       1.060000       1.092000
  1 1 1      23  -12    1 o    3.864000      0.6604000       3.890000 0.9945000       3.839000      0.8690000      0.5051000E-01   1.321000
  1 1 1      23  -12    2 o    1.884000      0.5632000       2.113000 0.8371000       1.655000      0.7537000      0.4583000       1.126000
  1 1 1      23  -12    3 o    3.982000      0.5200000       3.664000 0.7877000       4.301000      0.6789000     -0.6362000       1.040000
  1 1 1      23  -12    4 o    2.834000      0.6189000       3.107000 0.8613000       2.560000      0.8889000      0.5465000       1.238000
  1 1 1      23  -12    5 o    2.080000      0.5714000       2.199000 0.8315000       1.960000      0.7839000      0.2390000       1.143000
  1 1 1      23  -12    6 o    3.500000      0.5359000       3.133000 0.8318000       3.866000      0.6761000     -0.7332000       1.072000
  1 1 1      23  -12    7 o    2.899000      0.5759000       2.363000 0.8482000       3.436000      0.7793000      -1.072000       1.152000
  1 1 1      23  -12    8 o    4.010000      0.4888000       4.322000 0.6530000       3.698000      0.7274000      0.6231000      0.9775000
  1 1 1      23  -12    9 f    2.616000      0.5853000       1.981000 0.8112000       3.251000      0.8440000      -1.270000       1.171000
  1 1 1      23  -12   10 o    2.063000      0.5347000       1.268000 0.6141000       2.858000      0.8755000      -1.590000       1.069000
  1 1 1      23  -12   11 o    2.813000      0.6191000       2.565000 0.8643000       3.060000      0.8867000     -0.4942000       1.238000
  1 1 1      23  -12   12 o    1.877000      0.5682000       1.619000 0.7343000       2.136000      0.8673000     -0.5167000       1.136000
  1 1 1      23  -12   13 o    2.275000      0.6045000       2.521000 0.8603000       2.028000      0.8493000      0.4933000       1.209000
  1 1 1      23  -12   14 o    4.447000      0.5040000       4.853000 0.5788000       4.041000      0.8252000      0.8118000       1.008000
  1 1 1      23  -12   15 o    1.839000      0.5728000       1.834000 0.8041000       1.843000      0.8160000     -0.9097000E-02   1.146000
  1 1 1      23  -12   16 o    2.619000      0.6453000       2.732000 0.9088000       2.506000      0.9162000      0.2267000       1.291000
  1 1 1      23  -11    0 o    6.701000      0.3925000       7.094000 0.6165000       6.307000      0.4861000      0.7876000      0.7850000
  1 1 1      23  -11    1 o    5.373000      0.3923000       5.857000 0.5240000       4.890000      0.5840000      0.9668000      0.7847000
  1 1 1      23  -11    2 o    7.465000      0.3186000       7.398000 0.4492000       7.532000      0.4520000     -0.1340000      0.6373000
  1 1 1      23  -11    3 o    7.432000      0.3036000       7.567000 0.4175000       7.297000      0.4408000      0.2698000      0.6071000
  1 1 1      23  -11    4 o    5.395000      0.3787000       5.438000 0.5228000       5.353000      0.5481000      0.8527000E-01  0.7574000
  1 1 1      23  -11    5 o    5.100000      0.3947000       5.587000 0.5154000       4.612000      0.5979000      0.9750000      0.7894000
  1 1 1      23  -11    6 o    3.476000      0.5218000       2.545000 0.8612000       4.407000      0.5893000      -1.862000       1.044000
  1 1 1      23  -11    7 o    5.032000      0.3889000       4.670000 0.5886000       5.395000      0.5086000     -0.7249000      0.7779000
  1 1 1      23  -11    8 o    3.924000      0.4640000       3.510000 0.7193000       4.339000      0.5863000     -0.8284000      0.9280000
  1 1 1      23  -11    9 o    4.697000      0.3877000       4.912000 0.5103000       4.482000      0.5837000      0.4297000      0.7753000
  1 1 1      23  -11   10 o    1.691000      0.5243000       1.633000 0.7183000       1.749000      0.7638000     -0.1162000       1.049000
  1 1 1      23  -11   11 o    2.599000      0.5969000       2.665000 0.8246000       2.533000      0.8631000      0.1320000       1.194000
  1 1 1      23  -11   12 o    1.777000      0.5281000       2.082000 0.7983000       1.472000      0.6916000      0.6106000       1.056000
  1 1 1      23  -11   13 o    1.712000      0.5403000       1.570000 0.7133000       1.854000      0.8117000     -0.2847000       1.081000
  1 1 1      23  -11   14 o    3.581000      0.5620000       2.847000 0.8562000       4.315000      0.7281000      -1.469000       1.124000
  1 1 1      23  -11   15 o    4.635000      0.4387000       4.351000 0.6255000       4.919000      0.6153000     -0.5681000      0.8774000
  1 1 1      23  -11   16 o    3.814000      0.5686000       3.427000 0.8206000       4.202000      0.7872000     -0.7749000       1.137000
  1 1 1      23  -11   17 o    2.508000      0.6692000       3.092000 1.007000       1.924000      0.8812000       1.168000       1.338000
  1 1 1      23  -11   18 f    2.115000      0.9119000                  ?       ?   2.115000      0.9119000                  ?              ?
  1 1 1      23  -10    0 o    4.629000      0.4357000       4.840000 0.6200000       4.417000      0.6124000      0.4230000      0.8714000
  1 1 1      23  -10    1 o    2.899000      0.5640000       2.195000 0.8513000       3.603000      0.7400000      -1.408000       1.128000
  1 1 1      23  -10    2 o    5.749000      0.3459000       5.761000 0.4970000       5.738000      0.4811000      0.2385000E-01  0.6917000
  1 1 1      23  -10    3 o    2.196000      0.5762000       1.982000 0.8210000       2.409000      0.8088000     -0.4268000       1.152000
  1 1 1      23  -10    4 o    7.723000      0.2870000       7.966000 0.3994000       7.479000      0.4122000      0.4870000      0.5740000
  1 1 1      23  -10    5 o    5.595000      0.3491000       5.248000 0.5270000       5.942000      0.4579000     -0.6941000      0.6982000
  1 1 1      23  -10    6 o    8.072000      0.2821000       8.201000 0.3871000       7.943000      0.4104000      0.2575000      0.5641000
  1 1 1      23  -10    7 o    3.964000      0.4574000       4.348000 0.5693000       3.580000      0.7161000      0.7685000      0.9148000
  1 1 1      23  -10    8 o    3.949000      0.4457000       3.803000 0.6570000       4.094000      0.6026000     -0.2909000      0.8915000
  1 1 1      23  -10    9 o    3.460000      0.5011000       3.677000 0.6507000       3.242000      0.7623000      0.4353000       1.002000
  1 1 1      23  -10   10 o    2.203000      0.5385000       1.654000 0.7212000       2.752000      0.7998000      -1.098000       1.077000
  1 1 1      23  -10   11 o    7.353000      0.3070000       7.159000 0.4066000       7.548000      0.4601000     -0.3899000      0.6140000
  1 1 1      23  -10   12 o    7.337000      0.2775000       7.329000 0.3771000       7.345000      0.4072000     -0.1585000E-01  0.5550000
  1 1 1      23  -10   13 o    4.486000      0.4065000       4.252000 0.5863000       4.719000      0.5632000     -0.4662000      0.8129000
  1 1 1      23  -10   14 o    2.133000      0.6600000       2.180000 0.9159000       2.085000      0.9506000      0.9409000E-01   1.320000
  1 1 1      23  -10   15 o    5.337000      0.5739000       5.746000 0.6466000       4.928000      0.9483000      0.8185000       1.148000
  1 1 1      23  -10   16 o    4.444000      0.4105000       4.642000 0.5349000       4.245000      0.6228000      0.3968000      0.8210000
  1 1 1      23  -10   17 o    2.176000      0.6103000       1.936000 0.8163000       2.417000      0.9074000     -0.4813000       1.221000
  1 1 1      23  -10   18 f    3.266000      0.5987000       3.123000 0.8214000       3.409000      0.8712000     -0.2853000       1.197000
  1 1 1      23  -10   19 o    4.644000      0.9349000       3.812000 1.343000       5.476000       1.301000      -1.664000       1.870000
  1 1 1      23   -9    0 o    9.885000      0.2748000       9.714000 0.3937000       10.06000      0.3836000     -0.3424000      0.5497000
  1 1 1      23   -9    1 o    3.370000      0.5336000       3.889000 0.7051000       2.851000      0.8011000       1.038000       1.067000
  1 1 1      23   -9    2 o    8.689000      0.2729000       9.157000 0.3772000       8.221000      0.3943000      0.9365000      0.5457000
  1 1 1      23   -9    3 o    5.857000      0.3364000       5.756000 0.4904000       5.959000      0.4608000     -0.2027000      0.6729000
  1 1 1      23   -9    4 o    5.300000      0.3474000       5.414000 0.4934000       5.187000      0.4891000      0.2271000      0.6947000
  1 1 1      23   -9    5 o    5.789000      0.3305000       6.024000 0.4547000       5.554000      0.4797000      0.4709000      0.6610000
  1 1 1      23   -9    6 o    7.747000      0.2695000       8.000000 0.3749000       7.495000      0.3872000      0.5045000      0.5389000
  1 1 1      23   -9    7 o    2.257000      0.5530000       1.934000 0.7735000       2.581000      0.7906000     -0.6469000       1.106000
  1 1 1      23   -9    8 o    4.665000      0.3552000       4.858000 0.4960000       4.471000      0.5085000      0.3867000      0.7103000
  1 1 1      23   -9    9 o    2.695000      0.5359000       3.211000 0.7253000       2.179000      0.7892000       1.032000       1.072000
  1 1 1      23   -9   10 o    5.588000      0.3177000       5.790000 0.4370000       5.385000      0.4612000      0.4050000      0.6353000
  1 1 1      23   -9   11 o    2.843000      0.5030000       2.024000 0.7818000       3.662000      0.6330000      -1.638000       1.006000
  1 1 1      23   -9   12 o    5.150000      0.6259000       5.001000 0.7388000       5.300000       1.010000     -0.2989000       1.252000
  1 1 1      23   -9   13 o    4.902000      0.6011000       4.439000 0.8183000       5.366000      0.8808000     -0.9273000       1.202000
  1 1 1      23   -9   14 o    2.766000      0.5563000       2.932000 0.7657000       2.599000      0.8072000      0.3330000       1.113000
  1 1 1      23   -9   15 o    5.286000      0.3979000       5.935000 0.4459000       4.638000      0.6592000       1.297000      0.7959000
  1 1 1      23   -9   16 o    10.57000      0.3527000       11.01000 0.4895000       10.13000      0.5080000      0.8760000      0.7055000
  1 1 1      23   -9   17 o    4.189000      0.6716000       4.824000 0.8117000       3.554000       1.070000       1.270000       1.343000
  1 1 1      23   -9   18 o    2.728000      0.7109000       3.261000 1.121000       2.196000      0.8744000       1.065000       1.422000
  1 1 1      23   -9   19 o    2.965000      0.6079000       3.166000 0.7901000       2.765000      0.9242000      0.4013000       1.216000
  1 1 1      23   -9   20 o    1.744000      0.5486000       2.087000 0.8543000       1.401000      0.6885000      0.6858000       1.097000
  1 1 1      23   -8    0 o    7.201000      0.3127000       7.032000 0.4587000       7.371000      0.4251000     -0.3390000      0.6254000
  1 1 1      23   -8    1 o    8.371000      0.2800000       8.580000 0.4008000       8.162000      0.3912000      0.4183000      0.5601000
  1 1 1      23   -8    2 o    7.043000      0.2924000       7.674000 0.4036000       6.412000      0.4232000       1.262000      0.5848000
  1 1 1      23   -8    3 o    7.522000      0.2786000       7.921000 0.3896000       7.122000      0.3985000      0.7991000      0.5573000
  1 1 1      23   -8    4 o    9.615000      0.2595000       9.757000 0.3604000       9.474000      0.3735000      0.2831000      0.5190000
  1 1 1      23   -8    5 o    7.926000      0.2666000       8.120000 0.3783000       7.733000      0.3756000      0.3869000      0.5331000
  1 1 1      23   -8    6 o    11.54000      0.2485000       11.59000 0.3486000       11.49000      0.3542000      0.9067000E-01  0.4970000
  1 1 1      23   -8    7 o    9.688000      0.2452000       9.730000 0.3450000       9.646000      0.3487000      0.8349000E-01  0.4905000
  1 1 1      23   -8    8 o    4.933000      0.3421000       4.866000 0.4987000       5.001000      0.4684000     -0.1353000      0.6842000
  1 1 1      23   -8    9 o    4.134000      0.4010000       3.885000 0.6110000       4.382000      0.5194000     -0.4964000      0.8019000
  1 1 1      23   -8   10 o    3.091000      0.7371000       3.448000 0.9547000       2.734000       1.123000      0.7143000       1.474000
  1 1 1      23   -8   11 o    3.043000      0.7310000       3.137000 0.9495000       2.949000       1.112000      0.1878000       1.462000
  1 1 1      23   -8   12 o    4.458000      0.3495000       4.746000 0.4886000       4.169000      0.4998000      0.5777000      0.6989000
  1 1 1      23   -8   13 o    5.036000      0.3341000       4.978000 0.4673000       5.094000      0.4776000     -0.1154000      0.6682000
  1 1 1      23   -8   14 o    4.386000      0.4842000       4.151000 0.7722000       4.620000      0.5845000     -0.4692000      0.9685000
  1 1 1      23   -8   15 o    5.922000      0.3878000       6.220000 0.5442000       5.624000      0.5527000      0.5960000      0.7756000
  1 1 1      23   -8   16 o    6.097000      0.3192000       6.349000 0.4139000       5.845000      0.4862000      0.5045000      0.6385000
  1 1 1      23   -8   17 o    1.930000      0.5577000       1.728000 0.7333000       2.132000      0.8405000     -0.4038000       1.115000
  1 1 1      23   -8   18 o    1.790000      0.5517000       1.726000 0.7523000       1.854000      0.8072000     -0.1271000       1.103000
  1 1 1      23   -8   19 o    2.592000      0.5954000       2.147000 0.8076000       3.036000      0.8751000     -0.8888000       1.191000
  1 1 1      23   -8   20 o    2.479000      0.5955000       1.811000 0.7857000       3.148000      0.8952000      -1.338000       1.191000
  1 1 1      23   -8   21 f    3.230000      0.5664000       4.220000 0.7146000       2.241000      0.8789000       1.980000       1.133000
  1 1 1      23   -7    0 o    10.21000      0.2518000       10.36000 0.3844000       10.06000      0.3252000      0.3058000      0.5035000
  1 1 1      23   -7    1 o    11.81000      0.2950000       11.48000 0.3708000       12.14000      0.4590000     -0.6571000      0.5900000
  1 1 1      23   -7    2 o    9.586000      0.2607000       9.321000 0.3756000       9.851000      0.3617000     -0.5299000      0.5215000
  1 1 1      23   -7    3 o    7.992000      0.2703000       8.055000 0.3871000       7.929000      0.3775000      0.1260000      0.5407000
  1 1 1      23   -7    4 f    2.344000      0.5617000       2.562000 0.8138000       2.126000      0.7745000      0.4361000       1.123000
  1 1 1      23   -7    5 o    4.391000      0.3923000       4.826000 0.5139000       3.956000      0.5929000      0.8704000      0.7846000
  1 1 1      23   -7    6 o    6.055000      0.2977000       6.147000 0.4245000       5.963000      0.4177000      0.1834000      0.5955000
  1 1 1      23   -7    7 o    9.220000      0.2506000       9.240000 0.3537000       9.200000      0.3552000      0.4011000E-01  0.5013000
  1 1 1      23   -7    8 o    3.631000      0.7335000       3.077000 0.9427000       4.184000       1.124000      -1.107000       1.467000
  1 1 1      23   -7   10 o    7.691000      0.2502000       7.328000 0.3668000       8.055000      0.3403000     -0.7275000      0.5004000
  1 1 1      23   -7   11 o    7.757000      0.2477000       7.747000 0.3591000       7.767000      0.3412000     -0.1978000E-01  0.4953000
  1 1 1      23   -7   12 o    4.374000      0.4214000       4.471000 0.6735000       4.277000      0.5068000      0.1941000      0.8429000
  1 1 1      23   -7   13 o    2.437000      0.5683000       2.324000 0.8521000       2.550000      0.7521000     -0.2261000       1.137000
  1 1 1      23   -7   14 o    3.048000      0.4931000       2.693000 0.7366000       3.402000      0.6556000     -0.7084000      0.9861000
  1 1 1      23   -7   15 o    6.860000      0.2555000       7.256000 0.3332000       6.463000      0.3874000      0.7927000      0.5110000
  1 1 1      23   -7   16 o    3.028000      0.5114000       3.132000 0.6707000       2.924000      0.7723000      0.2078000       1.023000
  1 1 1      23   -7   17 o    5.845000      0.3204000       6.336000 0.3919000       5.354000      0.5069000      0.9817000      0.6407000
  1 1 1      23   -7   18 f    4.812000      0.4103000       5.619000 0.4325000       4.004000      0.6975000       1.615000      0.8207000
  1 1 1      23   -7   19 o    2.730000      0.5870000       2.391000 0.7949000       3.070000      0.8639000     -0.6790000       1.174000
  1 1 1      23   -7   20 o    3.461000      0.5596000       3.922000 0.6702000       3.001000      0.8964000      0.9204000       1.119000
  1 1 1      23   -7   21 o    3.198000      0.8280000       2.512000 0.8405000       3.884000       1.427000      -1.372000       1.656000
  1 1 1      23   -7   22 o    6.812000      0.3798000       7.618000 0.4986000       6.005000      0.5730000       1.613000      0.7596000
  1 1 1      23   -7   23 o    2.988000      0.9044000                  ?       ?   2.988000      0.9044000                  ?              ?
  1 1 1      23   -6    0 o    3.724000      0.4701000       3.280000 0.8022000       4.169000      0.4902000     -0.8884000      0.9401000
  1 1 1      23   -6    1 o    5.762000      0.3203000       5.381000 0.5236000       6.144000      0.3689000     -0.7631000      0.6405000
  1 1 1      23   -6    2 o    14.11000      0.2568000       13.88000 0.3747000       14.34000      0.3512000     -0.4586000      0.5136000
  1 1 1      23   -6    3 o    4.529000      0.3534000       4.687000 0.5360000       4.370000      0.4609000      0.3173000      0.7069000
  1 1 1      23   -6    4 o    3.677000      0.4119000       3.891000 0.6524000       3.463000      0.5030000      0.4279000      0.8238000
  1 1 1      23   -6    5 o    4.735000      0.3862000       4.568000 0.5376000       4.902000      0.5547000     -0.3339000      0.7725000
  1 1 1      23   -6    6 o    1.465000      0.4530000       1.152000 0.5640000       1.778000      0.7090000     -0.6254000      0.9060000
  1 1 1      23   -6    7 o    4.039000      0.6781000       4.717000 0.7582000       3.360000       1.124000       1.356000       1.356000
  1 1 1      23   -6    8 o    3.392000      0.4476000       3.581000 0.6578000       3.203000      0.6071000      0.3779000      0.8952000
  1 1 1      23   -6    9 o    7.623000      0.2513000       7.673000 0.3673000       7.573000      0.3430000      0.9998000E-01  0.5025000
  1 1 1      23   -6   10 o    9.617000      0.2938000       9.781000 0.4476000       9.454000      0.3805000      0.3262000      0.5875000
  1 1 1      23   -6   11 o    9.491000      0.2885000       9.396000 0.4393000       9.587000      0.3741000     -0.1914000      0.5770000
  1 1 1      23   -6   12 o    4.153000      0.3427000       4.639000 0.4507000       3.667000      0.5164000      0.9712000      0.6854000
  1 1 1      23   -6   13 o    2.686000      0.4802000       2.338000 0.7465000       3.034000      0.6043000     -0.6953000      0.9605000
  1 1 1      23   -6   14 o    2.783000      0.4726000       3.094000 0.6419000       2.472000      0.6936000      0.6214000      0.9451000
  1 1 1      23   -6   15 o    2.874000      0.4866000       2.835000 0.6940000       2.914000      0.6823000     -0.7875000E-01  0.9732000
  1 1 1      23   -6   16 o    13.85000      0.2413000       14.18000 0.3342000       13.51000      0.3481000      0.6730000      0.4826000
  1 1 1      23   -6   17 o    6.649000      0.2652000       6.240000 0.3624000       7.058000      0.3872000     -0.8186000      0.5304000
  1 1 1      23   -6   18 o    2.095000      0.5482000       2.125000 0.7588000       2.066000      0.7913000      0.5885000E-01   1.096000
  1 1 1      23   -6   19 o    2.227000      0.5633000       2.511000 0.7830000       1.944000      0.8101000      0.5668000       1.127000
  1 1 1      23   -6   20 o    5.862000      0.3493000       6.469000 0.4020000       5.255000      0.5713000       1.214000      0.6986000
  1 1 1      23   -6   21 o    5.797000      0.4883000       5.797000 0.4883000                  ?              ?              ?              ?
  1 1 1      23   -6   22 o    4.788000      0.5118000       5.976000 0.5028000       3.599000      0.8917000       2.377000       1.024000
  1 1 1      23   -6   23 o    2.604000      0.8182000                  ?       ?   2.604000      0.8182000                  ?              ?
  1 1 1      23   -5    0 o    3.167000      0.5046000       3.342000 0.7591000       2.992000      0.6649000      0.3502000       1.009000
  1 1 1      23   -5    1 o    8.874000      0.2506000       8.320000 0.3848000       9.429000      0.3211000      -1.109000      0.5012000
  1 1 1      23   -5    2 o    7.334000      0.2650000       7.079000 0.4113000       7.590000      0.3342000     -0.5115000      0.5300000
  1 1 1      23   -5    3 o    2.878000      0.4960000       2.511000 0.8042000       3.245000      0.5807000     -0.7343000      0.9919000
  1 1 1      23   -5    4 o    8.289000      0.2447000       8.676000 0.3668000       7.902000      0.3241000      0.7739000      0.4895000
  1 1 1      23   -5    5 o    6.505000      0.3692000       7.277000 0.5279000       5.734000      0.5164000       1.544000      0.7385000
  1 1 1      23   -5    6 o    5.103000      0.4246000       5.356000 0.6211000       4.850000      0.5791000      0.5055000      0.8492000
  1 1 1      23   -5    7 o    4.835000      0.3088000       4.564000 0.5052000       5.106000      0.3554000     -0.5419000      0.6177000
  1 1 1      23   -5    8 o    7.353000      0.2329000       7.343000 0.3598000       7.362000      0.2957000     -0.1848000E-01  0.4658000
  1 1 1      23   -5    9 o    2.048000      0.5618000       2.231000 0.8572000       1.865000      0.7263000      0.3661000       1.124000
  1 1 1      23   -5   10 o    14.34000      0.2542000       14.27000 0.3516000       14.40000      0.3672000     -0.1305000      0.5084000
  1 1 1      23   -5   11 o    3.036000      0.4616000       3.125000 0.6533000       2.947000      0.6524000      0.1778000      0.9233000
  1 1 1      23   -5   12 o    1.424000      0.4435000       1.437000 0.6397000       1.410000      0.6145000      0.2709000E-01  0.8871000
  1 1 1      23   -5   13 o    4.476000      0.3036000       4.632000 0.4310000       4.321000      0.4278000      0.3110000      0.6073000
  1 1 1      23   -5   14 o    4.858000      0.2871000       5.052000 0.4049000       4.664000      0.4071000      0.3877000      0.5742000
  1 1 1      23   -5   15 o    5.338000      0.2614000       5.472000 0.3710000       5.204000      0.3683000      0.2678000      0.5228000
  1 1 1      23   -5   16 o    8.733000      0.2243000       8.576000 0.3091000       8.889000      0.3252000     -0.3129000      0.4486000
  1 1 1      23   -5   17 o    2.634000      0.4832000       2.187000 0.7122000       3.081000      0.6532000     -0.8941000      0.9664000
  1 1 1      23   -5   18 o    4.183000      0.4006000       4.161000 0.5180000       4.205000      0.6113000     -0.4414000E-01  0.8013000
  1 1 1      23   -5   19 o    4.068000      0.4596000       5.072000 0.4457000       3.064000      0.8038000       2.008000      0.9191000
  1 1 1      23   -5   20 o    9.006000      0.2587000       9.763000 0.3311000       8.249000      0.3976000       1.514000      0.5174000
  1 1 1      23   -5   21 o    3.404000      0.5033000       4.653000 0.5444000       2.155000      0.8467000       2.498000       1.007000
  1 1 1      23   -5   22 o    2.534000      0.5913000       2.627000 0.8088000       2.441000      0.8627000      0.1859000       1.183000
  1 1 1      23   -5   23 o    1.914000      0.5478000       1.693000 0.7400000       2.136000      0.8079000     -0.4424000       1.096000
  1 1 1      23   -5   24 o    2.876000      0.5509000       3.403000 0.7873000       2.350000      0.7708000       1.054000       1.102000
  1 1 1      23   -4    0 o    6.423000      0.2978000       6.168000 0.4744000       6.678000      0.3601000     -0.5098000      0.5956000
  1 1 1      23   -4    1 o    7.107000      0.2638000       7.528000 0.3978000       6.685000      0.3466000      0.8431000      0.5276000
  1 1 1      23   -4    2 o    2.732000      0.5092000       2.807000 0.7701000       2.656000      0.6664000      0.1510000       1.018000
  1 1 1      23   -4    3 o    3.767000      0.4127000       4.592000 0.5356000       2.942000      0.6281000       1.650000      0.8254000
  1 1 1      23   -4    4 o    14.23000      0.3575000       13.92000 0.5113000       14.55000      0.4998000     -0.6292000      0.7150000
  1 1 1      23   -4    5 o    5.866000      0.2659000       6.071000 0.4178000       5.662000      0.3288000      0.4083000      0.5317000
  1 1 1      23   -4    6 o    6.774000      0.2597000       6.163000 0.4153000       7.386000      0.3118000      -1.222000      0.5193000
  1 1 1      23   -4    7 f    5.510000      0.3636000       5.898000 0.5512000       5.121000      0.4744000      0.7770000      0.7273000
  1 1 1      23   -4    8 o    5.387000      0.3923000       4.974000 0.6342000       5.800000      0.4619000     -0.8259000      0.7846000
  1 1 1      23   -4    9 o    6.946000      0.2343000       6.995000 0.3600000       6.898000      0.3001000      0.9704000E-01  0.4686000
  1 1 1      23   -4   10 o    6.825000      0.2274000       6.714000 0.3489000       6.935000      0.2919000     -0.2210000      0.4549000
  1 1 1      23   -4   11 o    2.532000      0.4576000       2.563000 0.6961000       2.500000      0.5942000      0.6283000E-01  0.9152000
  1 1 1      23   -4   12 o    5.485000      0.2523000       5.026000 0.4101000       5.945000      0.2940000     -0.9192000      0.5046000
  1 1 1      23   -4   13 o    10.80000      0.2075000       10.86000 0.3093000       10.73000      0.2767000      0.1288000      0.4151000
  1 1 1      23   -4   14 o    8.262000      0.2043000       8.058000 0.3058000       8.466000      0.2709000     -0.4080000      0.4086000
  1 1 1      23   -4   15 o    6.563000      0.2381000       6.607000 0.3280000       6.520000      0.3453000      0.8654000E-01  0.4763000
  1 1 1      23   -4   16 o    6.262000      0.2289000       6.390000 0.3256000       6.134000      0.3219000      0.2556000      0.4579000
  1 1 1      23   -4   17 o    12.31000      0.2255000       12.49000 0.3095000       12.13000      0.3281000      0.3637000      0.4511000
  1 1 1      23   -4   18 o    9.568000      0.2216000       9.876000 0.2988000       9.260000      0.3273000      0.6157000      0.4432000
  1 1 1      23   -4   19 o    4.357000      0.3688000       4.572000 0.4539000       4.141000      0.5815000      0.4311000      0.7377000
  1 1 1      23   -4   20 o    4.299000      0.4104000       4.421000 0.4924000       4.176000      0.6568000      0.2452000      0.8209000
  1 1 1      23   -4   21 o    2.703000      0.5179000       3.426000 0.6470000       1.981000      0.8088000       1.446000       1.036000
  1 1 1      23   -4   22 o    2.196000      0.5468000       2.724000 0.7989000       1.667000      0.7467000       1.057000       1.094000
  1 1 1      23   -4   23 o    1.424000      0.4724000       1.486000 0.6941000       1.361000      0.6410000      0.1251000      0.9448000
  1 1 1      23   -4   24 o    2.879000      0.5587000       3.049000 0.8271000       2.708000      0.7512000      0.3415000       1.117000
  1 1 1      23   -4   25 o    1.869000      0.4881000       1.635000 0.6773000       2.103000      0.7031000     -0.4678000      0.9763000
  1 1 1      23   -3    0 o    6.937000      0.2682000       6.781000 0.4210000       7.093000      0.3323000     -0.3120000      0.5364000
  1 1 1      23   -3    1 o    9.687000      0.2434000       9.579000 0.3706000       9.795000      0.3157000     -0.2154000      0.4868000
  1 1 1      23   -3    2 f    6.237000      0.2887000       6.329000 0.4392000       6.145000      0.3748000      0.1846000      0.5774000
  1 1 1      23   -3    3 o    7.956000      0.3455000       8.038000 0.5025000       7.875000      0.4744000      0.1629000      0.6911000
  1 1 1      23   -3    4 o    9.695000      0.2358000       9.224000 0.3582000       10.17000      0.3068000     -0.9421000      0.4716000
  1 1 1      23   -3    5 o    9.940000      0.2306000       9.903000 0.3470000       9.977000      0.3038000     -0.7414000E-01  0.4612000
  1 1 1      23   -3    6 o    9.320000      0.3273000       8.957000 0.5071000       9.682000      0.4138000     -0.7246000      0.6546000
  1 1 1      23   -3    7 o    9.429000      0.3094000       9.520000 0.4702000       9.338000      0.4023000      0.1825000      0.6188000
  1 1 1      23   -3    8 o    9.058000      0.2776000       8.935000 0.4715000       9.182000      0.2933000     -0.2475000      0.5553000
  1 1 1      23   -3    9 o    7.903000      0.2238000       7.900000 0.3358000       7.906000      0.2960000     -0.6203000E-02  0.4476000
  1 1 1      23   -3   10 o    5.711000      0.2515000       5.647000 0.3879000       5.776000      0.3204000     -0.1293000      0.5031000
  1 1 1      23   -3   11 o    6.248000      0.2314000       6.614000 0.3537000       5.882000      0.2986000      0.7318000      0.4629000
  1 1 1      23   -3   12 o    1.683000      0.4577000       1.749000 0.6869000       1.618000      0.6052000      0.1309000      0.9155000
  1 1 1      23   -3   13 o    10.79000      0.2055000       11.01000 0.3059000       10.57000      0.2744000      0.4413000      0.4110000
  1 1 1      23   -3   14 o    8.136000      0.1973000       8.069000 0.2975000       8.202000      0.2594000     -0.1337000      0.3947000
  1 1 1      23   -3   15 o    3.707000      0.3263000       3.154000 0.5616000       4.260000      0.3325000      -1.106000      0.6527000
  1 1 1      23   -3   16 o    8.784000      0.1897000       8.825000 0.2833000       8.742000      0.2525000      0.8336000E-01  0.3795000
  1 1 1      23   -3   17 o    13.93000      0.2221000       14.04000 0.3216000       13.83000      0.3065000      0.2031000      0.4443000
  1 1 1      23   -3   18 o    4.878000      0.2485000       5.167000 0.3558000       4.589000      0.3471000      0.5779000      0.4970000
  1 1 1      23   -3   19 o    1.823000      0.4627000       1.473000 0.6349000       2.172000      0.6734000     -0.6991000      0.9255000
  1 1 1      23   -3   20 o    2.021000      0.4893000       1.852000 0.7087000       2.191000      0.6747000     -0.3385000      0.9785000
  1 1 1      23   -3   21 o    4.461000      0.3847000       4.444000 0.6204000       4.478000      0.4552000     -0.3429000E-01  0.7695000
  1 1 1      23   -3   22 o    3.239000      0.7973000       3.239000 0.7973000                  ?              ?              ?              ?
  1 1 1      23   -3   23 o    1.880000      0.4940000       1.688000 0.7180000       2.072000      0.6786000     -0.3840000      0.9879000
  1 1 1      23   -3   25 o    2.014000      0.5969000       1.998000 0.8550000       2.030000      0.8331000     -0.3201000E-01   1.194000
  1 1 1      23   -3   26 o    1.986000      0.4873000       1.656000 0.6452000       2.316000      0.7305000     -0.6600000      0.9746000
  1 1 1      23   -2    0 o    11.01000      0.2437000       10.98000 0.3639000       11.03000      0.3244000     -0.4909000E-01  0.4875000
  1 1 1      23   -2    1 o    6.038000      0.2886000       6.081000 0.4538000       5.995000      0.3568000      0.8517000E-01  0.5772000
  1 1 1      23   -2    2 o    6.300000      0.3751000       6.358000 0.5543000       6.241000      0.5056000      0.1166000      0.7502000
  1 1 1      23   -2    3 o    7.338000      0.2522000       7.566000 0.3828000       7.111000      0.3286000      0.4543000      0.5045000
  1 1 1      23   -2    4 o    9.057000      0.2333000       8.720000 0.3567000       9.394000      0.3009000     -0.6735000      0.4667000
  1 1 1      23   -2    5 o    13.39000      0.3442000       13.90000 0.5241000       12.88000      0.4465000       1.021000      0.6885000
  1 1 1      23   -2    6 o    10.16000      0.2706000       9.766000 0.3378000       10.56000      0.4228000     -0.7895000      0.5412000
  1 1 1      23   -2    7 f    7.945000      0.2245000       8.125000 0.3352000       7.766000      0.2986000      0.3587000      0.4489000
  1 1 1      23   -2    8 o    7.590000      0.2310000       7.397000 0.3546000       7.783000      0.2961000     -0.3853000      0.4619000
  1 1 1      23   -2    9 o    13.03000      0.2303000       13.14000 0.3372000       12.91000      0.3138000      0.2325000      0.4606000
  1 1 1      23   -2   10 o    6.837000      0.2293000       6.629000 0.3555000       7.045000      0.2896000     -0.4156000      0.4585000
  1 1 1      23   -2   11 o    10.93000      0.2143000       11.00000 0.3169000       10.86000      0.2885000      0.1456000      0.4286000
  1 1 1      23   -2   12 o    7.004000      0.2137000       6.733000 0.3308000       7.276000      0.2708000     -0.5423000      0.4275000
  1 1 1      23   -2   13 o    7.217000      0.2069000       6.937000 0.3165000       7.497000      0.2667000     -0.5599000      0.4139000
  1 1 1      23   -2   14 o    7.774000      0.1992000       8.263000 0.2936000       7.285000      0.2693000      0.9780000      0.3984000
  1 1 1      23   -2   15 o    2.049000      0.4435000       2.310000 0.6618000       1.789000      0.5907000      0.5212000      0.8870000
  1 1 1      23   -2   16 f    4.280000      0.2606000       4.281000 0.3978000       4.280000      0.3367000      0.1039000E-02  0.5211000
  1 1 1      23   -2   17 f    13.77000      0.2196000       13.82000 0.3182000       13.71000      0.3026000      0.1119000      0.4391000
  1 1 1      23   -2   18 o    4.970000      0.2357000       4.692000 0.3736000       5.248000      0.2875000     -0.5553000      0.4714000
  1 1 1      23   -2   19 o    3.735000      0.4559000       4.584000 0.5737000       2.886000      0.7087000       1.698000      0.9118000
  1 1 1      23   -2   20 o    2.699000      0.5514000       2.991000 0.8155000       2.407000      0.7422000      0.5843000       1.103000
  1 1 1      23   -2   21 o    2.446000      0.4865000       2.312000 0.7208000       2.580000      0.6535000     -0.2675000      0.9729000
  1 1 1      23   -2   22 f    4.418000      0.5166000       4.418000 0.5166000                  ?              ?              ?              ?
  1 1 1      23   -2   23 o    5.926000      0.8614000       5.926000 0.8614000                  ?              ?              ?              ?
  1 1 1      23   -2   24 o    1.755000      0.6801000                  ?       ?   1.755000      0.6801000                  ?              ?
  1 1 1      23   -2   25 o    1.336000      0.4074000       1.625000 0.6500000       1.048000      0.4914000      0.5766000      0.8148000
  1 1 1      23   -2   26 o    1.156000      0.3672000       1.272000 0.5618000       1.041000      0.4730000      0.2315000      0.7344000
  1 1 1      23   -1    0 o    8.574000      0.2477000       8.878000 0.3760000       8.270000      0.3224000      0.6079000      0.4953000
  1 1 1      23   -1    1 o    4.006000      0.5010000       3.755000 0.8033000       4.258000      0.5989000     -0.5037000       1.002000
  1 1 1      23   -1    2 o    11.75000      0.2924000       12.04000 0.4905000       11.46000      0.3186000      0.5834000      0.5849000
  1 1 1      23   -1    3 o    12.87000      0.2420000       12.86000 0.3544000       12.88000      0.3296000     -0.1897000E-01  0.4840000
  1 1 1      23   -1    5 o    8.652000      0.2338000       8.235000 0.3586000       9.069000      0.3002000     -0.8342000      0.4677000
  1 1 1      23   -1    6 o    12.35000      0.2317000       12.37000 0.3395000       12.32000      0.3154000      0.5038000E-01  0.4634000
  1 1 1      23   -1    7 o    8.485000      0.2767000       8.784000 0.4596000       8.185000      0.3082000      0.5990000      0.5534000
  1 1 1      23   -1    8 o    9.266000      0.2179000       9.067000 0.3267000       9.465000      0.2883000     -0.3983000      0.4357000
  1 1 1      23   -1    9 o    10.98000      0.2149000       11.32000 0.3187000       10.64000      0.2883000      0.6832000      0.4298000
  1 1 1      23   -1   10 o    8.439000      0.2151000       7.964000 0.3263000       8.913000      0.2803000     -0.9485000      0.4302000
  1 1 1      23   -1   11 o    13.80000      0.2315000       13.79000 0.3364000       13.81000      0.3181000     -0.1721000E-01  0.4630000
  1 1 1      23   -1   12 o    9.715000      0.2065000       9.437000 0.3084000       9.993000      0.2747000     -0.5564000      0.4130000
  1 1 1      23   -1   13 o    1.804000      0.4566000       1.764000 0.6758000       1.844000      0.6140000     -0.7971000E-01  0.9131000
  1 1 1      23   -1   14 o    3.990000      0.3087000       3.507000 0.5186000       4.474000      0.3349000     -0.9664000      0.6173000
  1 1 1      23   -1   15 o    7.528000      0.1979000       7.476000 0.2943000       7.579000      0.2648000     -0.1027000      0.3959000
  1 1 1      23   -1   16 o    4.333000      0.2663000       4.646000 0.3957000       4.019000      0.3564000      0.6277000      0.5325000
  1 1 1      23   -1   17 o    7.599000      0.1915000       7.762000 0.2873000       7.436000      0.2533000      0.3261000      0.3830000
  1 1 1      23   -1   18 o    2.928000      0.5708000       3.072000 0.8748000       2.784000      0.7334000      0.2879000       1.142000
  1 1 1      23   -1   19 o    4.861000      0.2364000       4.495000 0.3782000       5.227000      0.2836000     -0.7321000      0.4727000
  1 1 1      23   -1   20 o    4.815000      0.2334000       4.578000 0.3608000       5.052000      0.2961000     -0.4736000      0.4668000
  1 1 1      23   -1   21 o    5.196000      0.3502000       5.165000 0.4548000       5.227000      0.5325000     -0.6286000E-01  0.7003000
  1 1 1      23   -1   22 o    4.598000      0.3010000       5.150000 0.4086000       4.046000      0.4421000       1.105000      0.6020000
  1 1 1      23   -1   23 o    2.443000      0.4894000       2.548000 0.7138000       2.338000      0.6697000      0.2098000      0.9788000
  1 1 1      23   -1   24 o    1.227000      0.3898000      0.9867000 0.4865000       1.468000      0.6091000     -0.4809000      0.7795000
  1 1 1      23   -1   25 o    2.291000      0.4033000       2.811000 0.5532000       1.771000      0.5870000       1.040000      0.8066000
  1 1 1      23   -1   26 o    1.440000      0.3859000       1.611000 0.5798000       1.269000      0.5095000      0.3418000      0.7718000
  1 1 1      23   -1   27 o    1.487000      0.3760000       1.748000 0.5620000       1.225000      0.4996000      0.5230000      0.7520000
  1 1 1      23    0    0 o    4.461000      0.4926000       4.568000 0.6946000       4.353000      0.6986000      0.2143000      0.9852000
  1 1 1      23    0    1 o    8.417000      0.2246000       8.441000 0.3151000       8.392000      0.3202000      0.4875000E-01  0.4493000
  1 1 1      23    0    2 o    16.55000      0.2759000       16.29000 0.3992000       16.81000      0.3809000     -0.5215000      0.5518000
  1 1 1      23    0    3 o    4.193000      0.5208000       4.037000 0.8774000       4.350000      0.5613000     -0.3137000       1.042000
  1 1 1      23    0    4 o    3.586000      0.4003000       3.840000 0.5984000       3.333000      0.5317000      0.5069000      0.8005000
  1 1 1      23    0    5 o    8.398000      0.2319000       8.982000 0.3439000       7.814000      0.3111000       1.168000      0.4637000
  1 1 1      23    0    6 f    4.589000      0.3071000       4.417000 0.4786000       4.760000      0.3848000     -0.3428000      0.6141000
  1 1 1      23    0    7 o    9.006000      0.2228000       9.103000 0.3301000       8.908000      0.2994000      0.1952000      0.4457000
  1 1 1      23    0    8 o    10.44000      0.2170000       10.35000 0.3216000       10.54000      0.2913000     -0.1896000      0.4339000
  1 1 1      23    0    9 o    4.900000      0.2724000       5.277000 0.3985000       4.522000      0.3714000      0.7552000      0.5448000
  1 1 1      23    0   10 o    13.66000      0.2315000       13.70000 0.3372000       13.61000      0.3173000      0.9083000E-01  0.4630000
  1 1 1      23    0   11 o    14.46000      0.2365000       14.42000 0.3414000       14.50000      0.3273000     -0.7513000E-01  0.4730000
  1 1 1      23    0   12 o    4.570000      0.2830000       4.300000 0.4482000       4.840000      0.3457000     -0.5405000      0.5661000
  1 1 1      23    0   13 f    14.63000      0.2352000       14.70000 0.3403000       14.57000      0.3248000      0.1266000      0.4704000
  1 1 1      23    0   14 o    6.225000      0.2154000       6.297000 0.3233000       6.153000      0.2847000      0.1449000      0.4308000
  1 1 1      23    0   15 o    4.048000      0.2888000       3.979000 0.4453000       4.116000      0.3678000     -0.1370000      0.5775000
  1 1 1      23    0   16 o    1.874000      0.5298000       1.867000 0.7762000       1.881000      0.7213000     -0.1485000E-01   1.060000
  1 1 1      23    0   17 o    2.146000      0.5300000       1.704000 0.7409000       2.589000      0.7581000     -0.8853000       1.060000
  1 1 1      23    0   18 f    8.506000      0.1837000       8.446000 0.2716000       8.566000      0.2474000     -0.1205000      0.3673000
  1 1 1      23    0   19 o    6.156000      0.1904000       6.330000 0.2828000       5.982000      0.2551000      0.3482000      0.3809000
  1 1 1      23    0   20 f    5.467000      0.2552000       5.485000 0.3603000       5.448000      0.3616000      0.3759000E-01  0.5105000
  1 1 1      23    0   21 o    6.197000      0.2047000       6.141000 0.2895000       6.253000      0.2894000     -0.1121000      0.4093000
  1 1 1      23    0   22 o    7.078000      0.2103000       7.519000 0.2867000       6.637000      0.3078000      0.8821000      0.4206000
  1 1 1      23    0   23 o    6.851000      0.2443000       6.765000 0.3230000       6.937000      0.3667000     -0.1720000      0.4887000
  1 1 1      23    0   24 o    3.925000      0.3104000       3.796000 0.4851000       4.053000      0.3875000     -0.2571000      0.6208000
  1 1 1      23    0   25 o    4.210000      0.2298000       4.288000 0.3559000       4.132000      0.2909000      0.1560000      0.4597000
  1 1 1      23    0   26 o    1.627000      0.3777000       1.608000 0.5583000       1.647000      0.5090000     -0.3881000E-01  0.7555000
  1 1 1      23    1    0 o    7.240000      0.2309000       6.933000 0.3161000       7.548000      0.3366000     -0.6153000      0.4617000
  1 1 1      23    1    1 o    4.013000      0.3385000       3.908000 0.4890000       4.117000      0.4682000     -0.2088000      0.6771000
  1 1 1      23    1    2 o    13.65000      0.3340000       13.90000 0.4715000       13.40000      0.4734000      0.4981000      0.6681000
  1 1 1      23    1    3 o    6.332000      0.3259000       6.605000 0.4501000       6.060000      0.4716000      0.5456000      0.6519000
  1 1 1      23    1    4 o    9.415000      0.2158000       9.682000 0.3039000       9.148000      0.3064000      0.5344000      0.4316000
  1 1 1      23    1    5 o    3.013000      0.3878000       3.788000 0.4270000       2.238000      0.6474000       1.550000      0.7755000
  1 1 1      23    1    6 o    5.251000      0.2690000       5.510000 0.4037000       4.992000      0.3556000      0.5183000      0.5380000
  1 1 1      23    1    7 o    2.134000      0.4859000       2.360000 0.7324000       1.908000      0.6387000      0.4511000      0.9718000
  1 1 1      23    1    8 o    12.39000      0.2274000       12.23000 0.3324000       12.56000      0.3105000     -0.3296000      0.4549000
  1 1 1      23    1    9 o    3.686000      0.3517000       3.938000 0.5187000       3.433000      0.4751000      0.5049000      0.7035000
  1 1 1      23    1   10 o    9.251000      0.2601000       8.833000 0.4377000       9.669000      0.2810000     -0.8356000      0.5202000
  1 1 1      23    1   11 o    13.56000      0.2303000       13.13000 0.3294000       13.98000      0.3219000     -0.8516000      0.4605000
  1 1 1      23    1   12 o    4.916000      0.2763000       4.292000 0.4571000       5.540000      0.3106000      -1.248000      0.5527000
  1 1 1      23    1   13 o    18.56000      0.2768000       18.36000 0.3932000       18.76000      0.3897000     -0.3962000      0.5536000
  1 1 1      23    1   14 o    3.816000      0.3143000       3.534000 0.5055000       4.098000      0.3736000     -0.5634000      0.6286000
  1 1 1      23    1   15 o    5.536000      0.3364000       5.737000 0.4914000       5.335000      0.4595000      0.4028000      0.6728000
  1 1 1      23    1   16 o    12.06000      0.3022000       12.17000 0.4421000       11.95000      0.4121000      0.2146000      0.6044000
  1 1 1      23    1   17 o    5.235000      0.2210000       5.088000 0.3474000       5.383000      0.2733000     -0.2952000      0.4420000
  1 1 1      23    1   18 o    6.250000      0.2205000       6.357000 0.3676000       6.143000      0.2437000      0.2142000      0.4410000
  1 1 1      23    1   19 o    4.229000      0.2817000       4.040000 0.4445000       4.418000      0.3462000     -0.3780000      0.5634000
  1 1 1      23    1   20 o    5.753000      0.1872000       5.142000 0.2936000       6.364000      0.2322000      -1.222000      0.3743000
  1 1 1      23    1   21 o    5.787000      0.2181000       5.269000 0.3600000       6.306000      0.2463000      -1.037000      0.4362000
  1 1 1      23    1   22 o    5.327000      0.2131000       5.392000 0.2995000       5.262000      0.3033000      0.1293000      0.4262000
  1 1 1      23    1   23 o    6.299000      0.3015000       6.299000 0.3015000                  ?              ?              ?              ?
  1 1 1      23    1   24 o    3.147000      0.3701000       2.990000 0.5709000       3.304000      0.4711000     -0.3138000      0.7402000
  1 1 1      23    1   25 f    1.152000      0.4870000                  ?       ?   1.152000      0.4870000                  ?              ?
  1 1 1      23    2    0 o    8.166000      0.2349000       8.444000 0.3290000       7.887000      0.3353000      0.5570000      0.4697000
  1 1 1      23    2    1 o    2.138000      0.5627000       1.755000 0.7573000       2.521000      0.8326000     -0.7665000       1.125000
  1 1 1      23    2    2 o    12.60000      0.3242000       12.55000 0.4531000       12.65000      0.4637000     -0.1028000      0.6483000
  1 1 1      23    2    3 o    7.312000      0.2269000       7.369000 0.3211000       7.255000      0.3207000      0.1130000      0.4539000
  1 1 1      23    2    4 o    4.181000      0.3177000       4.188000 0.4342000       4.173000      0.4639000      0.1484000E-01  0.6354000
  1 1 1      23    2    5 o    4.246000      0.2990000       4.216000 0.4181000       4.275000      0.4276000     -0.5964000E-01  0.5980000
  1 1 1      23    2    6 o    6.718000      0.2231000       6.796000 0.3075000       6.641000      0.3233000      0.1556000      0.4462000
  1 1 1      23    2    7 o    2.144000      0.4536000       2.048000 0.6493000       2.239000      0.6335000     -0.1906000      0.9071000
  1 1 1      23    2    8 o    9.269000      0.2018000       9.071000 0.2826000       9.467000      0.2881000     -0.3963000      0.4036000
  1 1 1      23    2    9 o    3.453000      0.4428000       3.794000 0.7020000       3.112000      0.5398000      0.6827000      0.8855000
  1 1 1      23    2   10 o    1.638000      0.4516000       1.497000 0.6533000       1.780000      0.6237000     -0.2834000      0.9032000
  1 1 1      23    2   11 o    9.622000      0.2138000       8.941000 0.3187000       10.30000      0.2850000      -1.362000      0.4275000
  1 1 1      23    2   12 o    5.786000      0.2454000       5.463000 0.3895000       6.108000      0.2987000     -0.6452000      0.4908000
  1 1 1      23    2   13 o    14.69000      0.2389000       14.69000 0.3473000       14.70000      0.3282000     -0.4887000E-02  0.4779000
  1 1 1      23    2   14 o    9.489000      0.2046000       9.380000 0.3044000       9.598000      0.2735000     -0.2185000      0.4092000
  1 1 1      23    2   15 o    17.57000      0.3739000       17.61000 0.5342000       17.53000      0.5234000      0.7651000E-01  0.7479000
  1 1 1      23    2   16 o    13.68000      0.2219000       14.03000 0.3271000       13.34000      0.2999000      0.6863000      0.4438000
  1 1 1      23    2   17 o    6.573000      0.1983000       6.575000 0.3004000       6.571000      0.2590000      0.4582000E-02  0.3966000
  1 1 1      23    2   18 o    13.01000      0.2859000       13.17000 0.4173000       12.85000      0.3910000      0.3181000      0.5718000
  1 1 1      23    2   19 o    5.826000      0.1900000       5.827000 0.2901000       5.825000      0.2455000      0.1929000E-02  0.3800000
  1 1 1      23    2   20 o    6.483000      0.1779000       6.187000 0.2663000       6.779000      0.2360000     -0.5917000      0.3559000
  1 1 1      23    2   21 o    10.47000      0.1769000       10.15000 0.2522000       10.79000      0.2481000     -0.6456000      0.3538000
  1 1 1      23    2   22 o    2.103000      0.3952000       2.189000 0.5424000       2.017000      0.5748000      0.1711000      0.7903000
  1 1 1      23    2   23 o    3.026000      0.5138000       3.026000 0.5138000                  ?              ?              ?              ?
  1 1 1      23    2   24 o    4.005000      0.2859000       4.235000 0.3825000       3.775000      0.4252000      0.4601000      0.5719000
  1 1 1      23    3    0 o    8.866000      0.2317000       8.752000 0.3320000       8.981000      0.3232000     -0.2296000      0.4633000
  1 1 1      23    3    1 f    8.963000      0.3103000       8.921000 0.4326000       9.005000      0.4449000     -0.8364000E-01  0.6206000
  1 1 1      23    3    2 o    8.419000      0.2313000       8.348000 0.3275000       8.491000      0.3267000     -0.1429000      0.4626000
  1 1 1      23    3    3 o    10.17000      0.2211000       10.36000 0.3182000       9.983000      0.3071000      0.3750000      0.4422000
  1 1 1      23    3    4 o    6.337000      0.2382000       6.083000 0.3436000       6.592000      0.3301000     -0.5093000      0.4765000
  1 1 1      23    3    5 o    11.96000      0.2241000       11.74000 0.3118000       12.17000      0.3219000     -0.4362000      0.4481000
  1 1 1      23    3    6 o    4.086000      0.3058000       4.003000 0.4449000       4.169000      0.4198000     -0.1653000      0.6117000
  1 1 1      23    3    7 o    4.270000      0.2991000       4.468000 0.3923000       4.072000      0.4516000      0.3961000      0.5982000
  1 1 1      23    3    8 o    2.866000      0.4062000       2.658000 0.5990000       3.074000      0.5488000     -0.4161000      0.8124000
  1 1 1      23    3    9 o    7.420000      0.2094000       7.600000 0.2885000       7.240000      0.3036000      0.3602000      0.4188000
  1 1 1      23    3   10 o    4.264000      0.2854000       4.851000 0.3343000       3.677000      0.4627000       1.174000      0.5708000
  1 1 1      23    3   11 o    12.59000      0.2758000       12.05000 0.4539000       13.13000      0.3133000      -1.076000      0.5516000
  1 1 1      23    3   12 o    6.516000      0.2776000       6.555000 0.4780000       6.478000      0.2826000      0.7667000E-01  0.5553000
  1 1 1      23    3   13 o    10.14000      0.2077000       10.02000 0.3071000       10.27000      0.2798000     -0.2483000      0.4154000
  1 1 1      23    3   14 o    10.19000      0.2945000       10.43000 0.4297000       9.948000      0.4030000      0.4832000      0.5891000
  1 1 1      23    3   15 o    3.186000      0.4036000       2.498000 0.7148000       3.873000      0.3749000      -1.375000      0.8071000
  1 1 1      23    3   16 o    5.132000      0.2490000       4.401000 0.4115000       5.864000      0.2804000      -1.463000      0.4979000
  1 1 1      23    3   17 o    7.992000      0.2550000       8.115000 0.3893000       7.869000      0.3296000      0.2463000      0.5100000
  1 1 1      23    3   18 o    3.614000      0.2874000       3.460000 0.4570000       3.767000      0.3486000     -0.3071000      0.5748000
  1 1 1      23    3   19 o    10.22000      0.1841000       10.03000 0.2681000       10.40000      0.2523000     -0.3715000      0.3681000
  1 1 1      23    3   20 o    3.300000      0.2670000       3.273000 0.4172000       3.328000      0.3334000     -0.5475000E-01  0.5341000
  1 1 1      23    3   21 o    9.670000      0.1698000       9.489000 0.2457000       9.850000      0.2345000     -0.3613000      0.3397000
  1 1 1      23    3   22 o    4.366000      0.1862000       4.416000 0.2725000       4.315000      0.2540000      0.1009000      0.3725000
  1 1 1      23    3   23 o    3.525000      0.2510000       3.984000 0.3138000       3.066000      0.3917000      0.9173000      0.5019000
  1 1 1      23    4    0 f    9.012000      0.3239000       8.909000 0.4566000       9.114000      0.4596000     -0.2051000      0.6479000
  1 1 1      23    4    1 o    5.343000      0.4087000       6.036000 0.5209000       4.651000      0.6300000       1.384000      0.8175000
  1 1 1      23    4    2 o    7.369000      0.2386000       6.847000 0.3488000       7.891000      0.3257000      -1.043000      0.4772000
  1 1 1      23    4    3 o    18.17000      0.2818000       18.07000 0.3969000       18.27000      0.4000000     -0.1988000      0.5635000
  1 1 1      23    4    4 o    5.223000      0.2664000       5.398000 0.3614000       5.049000      0.3914000      0.3496000      0.5328000
  1 1 1      23    4    5 o    1.988000      0.4786000       2.262000 0.6891000       1.714000      0.6643000      0.5483000      0.9572000
  1 1 1      23    4    6 o    11.60000      0.2216000       11.63000 0.3123000       11.58000      0.3144000      0.4914000E-01  0.4431000
  1 1 1      23    4    7 o    11.05000      0.2165000       10.83000 0.3026000       11.26000      0.3096000     -0.4377000      0.4329000
  1 1 1      23    4    8 o    3.700000      0.3406000       3.310000 0.5183000       4.090000      0.4421000     -0.7793000      0.6813000
  1 1 1      23    4    9 o    6.638000      0.2190000       6.461000 0.3085000       6.814000      0.3109000     -0.3531000      0.4380000
  1 1 1      23    4   10 o    12.01000      0.2150000       12.03000 0.3045000       11.98000      0.3035000      0.4815000E-01  0.4299000
  1 1 1      23    4   11 o    3.721000      0.3144000       4.081000 0.3898000       3.361000      0.4935000      0.7207000      0.6289000
  1 1 1      23    4   12 o    10.08000      0.1983000       10.07000 0.2789000       10.09000      0.2821000     -0.1905000E-01  0.3967000
  1 1 1      23    4   13 o    7.580000      0.3073000       7.436000 0.4546000       7.724000      0.4135000     -0.2880000      0.6145000
  1 1 1      23    4   14 o    10.57000      0.2931000       10.18000 0.4195000       10.95000      0.4096000     -0.7623000      0.5863000
  1 1 1      23    4   15 o    5.850000      0.2905000       5.289000 0.5136000       6.412000      0.2717000      -1.122000      0.5810000
  1 1 1      23    4   16 o    4.326000      0.3684000       4.822000 0.5553000       3.830000      0.4842000      0.9924000      0.7368000
  1 1 1      23    4   17 o    5.479000      0.2328000       4.877000 0.3776000       6.081000      0.2722000      -1.204000      0.4655000
  1 1 1      23    4   18 o    6.412000      0.1965000       6.409000 0.3023000       6.415000      0.2510000     -0.5280000E-02  0.3929000
  1 1 1      23    4   19 o    11.20000      0.1915000       10.88000 0.2782000       11.51000      0.2633000     -0.6333000      0.3831000
  1 1 1      23    4   20 o    1.858000      0.3975000       2.277000 0.5961000       1.439000      0.5259000      0.8377000      0.7949000
  1 1 1      23    4   21 o    6.158000      0.1620000       6.255000 0.2456000       6.060000      0.2114000      0.1951000      0.3240000
  1 1 1      23    4   22 o    6.779000      0.1895000       6.330000 0.2263000       7.227000      0.3041000     -0.8965000      0.3791000
  1 1 1      23    4   23 o    3.936000      0.2082000       3.902000 0.2557000       3.969000      0.3286000     -0.6674000E-01  0.4164000
  1 1 1      23    5    0 o    2.376000      0.5962000       2.710000 0.8587000       2.043000      0.8275000      0.6667000       1.192000
  1 1 1      23    5    1 o    7.545000      0.2454000       7.379000 0.3391000       7.710000      0.3548000     -0.3306000      0.4908000
  1 1 1      23    5    2 o    6.883000      0.2504000       7.029000 0.3481000       6.737000      0.3601000      0.2923000      0.5008000
  1 1 1      23    5    3 o    2.148000      0.4776000       2.707000 0.6851000       1.589000      0.6655000       1.118000      0.9551000
  1 1 1      23    5    4 o    7.195000      0.2373000       7.057000 0.3332000       7.333000      0.3379000     -0.2756000      0.4746000
  1 1 1      23    5    5 o    5.907000      0.2607000       6.298000 0.3544000       5.516000      0.3824000      0.7816000      0.5214000
  1 1 1      23    5    6 o    6.112000      0.2484000       6.310000 0.3447000       5.915000      0.3577000      0.3949000      0.4967000
  1 1 1      23    5    7 f    8.659000      0.2127000       8.533000 0.2999000       8.784000      0.3018000     -0.2507000      0.4255000
  1 1 1      23    5    8 o    4.502000      0.2898000       4.180000 0.4223000       4.823000      0.3969000     -0.6423000      0.5795000
  1 1 1      23    5    9 o    6.576000      0.2254000       6.553000 0.3211000       6.599000      0.3165000     -0.4605000E-01  0.4509000
  1 1 1      23    5   10 o    10.88000      0.2118000       11.02000 0.2995000       10.74000      0.2997000      0.2836000      0.4237000
  1 1 1      23    5   11 o    5.072000      0.2510000       4.848000 0.3642000       5.296000      0.3455000     -0.4479000      0.5020000
  1 1 1      23    5   12 o    10.19000      0.2023000       9.951000 0.2823000       10.43000      0.2897000     -0.4816000      0.4045000
  1 1 1      23    5   13 o    11.46000      0.3012000       11.59000 0.4351000       11.33000      0.4165000      0.2654000      0.6023000
  1 1 1      23    5   14 o    14.05000      0.2232000       13.99000 0.3146000       14.11000      0.3166000     -0.1209000      0.4463000
  1 1 1      23    5   15 f    13.57000      0.2173000       13.59000 0.3083000       13.54000      0.3063000      0.5534000E-01  0.4345000
  1 1 1      23    5   16 o    5.226000      0.2737000       4.851000 0.3883000       5.602000      0.3857000     -0.7512000      0.5473000
  1 1 1      23    5   17 o    4.332000      0.2248000       4.587000 0.3006000       4.078000      0.3343000      0.5088000      0.4496000
  1 1 1      23    5   18 o    3.074000      0.4315000       2.518000 0.7927000       3.631000      0.3413000      -1.113000      0.8631000
  1 1 1      23    5   19 o    14.20000      0.2181000       13.94000 0.3119000       14.46000      0.3050000     -0.5123000      0.4362000
  1 1 1      23    5   20 o    7.289000      0.1726000       7.240000 0.2655000       7.339000      0.2206000     -0.9820000E-01  0.3452000
  1 1 1      23    5   21 o    5.666000      0.1679000       5.912000 0.2513000       5.421000      0.2228000      0.4910000      0.3359000
  1 1 1      23    5   22 o    5.215000      0.1621000       4.911000 0.2605000       5.519000      0.1930000     -0.6082000      0.3242000
  1 1 1      23    6    0 o    7.361000      0.3645000       7.387000 0.5168000       7.335000      0.5142000      0.5212000E-01  0.7291000
  1 1 1      23    6    1 o    2.775000      0.4660000       3.664000 0.5770000       1.886000      0.7318000       1.779000      0.9320000
  1 1 1      23    6    2 o    15.04000      0.2550000       15.16000 0.3612000       14.92000      0.3602000      0.2364000      0.5101000
  1 1 1      23    6    3 o    1.530000      0.4666000       1.506000 0.6562000       1.554000      0.6635000     -0.4764000E-01  0.9332000
  1 1 1      23    6    4 o    7.948000      0.2287000       7.842000 0.3261000       8.055000      0.3209000     -0.2130000      0.4575000
  1 1 1      23    6    5 f    7.760000      0.2301000       7.287000 0.3329000       8.234000      0.3178000     -0.9477000      0.4602000
  1 1 1      23    6    6 o    10.63000      0.2188000       10.41000 0.3073000       10.85000      0.3114000     -0.4434000      0.4375000
  1 1 1      23    6    7 o    4.310000      0.3082000       4.131000 0.4505000       4.488000      0.4208000     -0.3573000      0.6165000
  1 1 1      23    6    8 f    6.074000      0.2406000       5.849000 0.3399000       6.299000      0.3405000     -0.4499000      0.4811000
  1 1 1      23    6    9 o    4.040000      0.3112000       3.680000 0.4556000       4.400000      0.4240000     -0.7198000      0.6224000
  1 1 1      23    6   10 o    11.05000      0.2132000       11.10000 0.3005000       11.00000      0.3025000      0.9908000E-01  0.4264000
  1 1 1      23    6   11 o    2.968000      0.4025000       2.850000 0.5819000       3.086000      0.5564000     -0.2364000      0.8051000
  1 1 1      23    6   12 o    4.731000      0.2640000       4.662000 0.3737000       4.801000      0.3730000     -0.1391000      0.5280000
  1 1 1      23    6   13 o    16.00000      0.3510000       15.95000 0.4997000       16.06000      0.4931000     -0.1127000      0.7020000
  1 1 1      23    6   14 o    10.79000      0.1993000       10.53000 0.2817000       11.05000      0.2819000     -0.5219000      0.3985000
  1 1 1      23    6   15 o    6.875000      0.1921000       7.303000 0.2720000       6.448000      0.2714000      0.8545000      0.3843000
  1 1 1      23    6   16 o    11.13000      0.2695000       11.24000 0.3738000       11.02000      0.3883000      0.2161000      0.5390000
  1 1 1      23    6   17 o    6.038000      0.1882000       6.169000 0.2632000       5.906000      0.2691000      0.2629000      0.3764000
  1 1 1      23    6   18 o    6.342000      0.1778000       6.304000 0.2507000       6.381000      0.2521000     -0.7733000E-01  0.3556000
  1 1 1      23    6   19 o    13.29000      0.2023000       13.36000 0.2881000       13.23000      0.2842000      0.1303000      0.4047000
  1 1 1      23    6   20 o    8.945000      0.1627000       9.013000 0.2344000       8.877000      0.2257000      0.1359000      0.3254000
  1 1 1      23    6   21 o    6.859000      0.1614000       6.874000 0.2477000       6.844000      0.2070000      0.3011000E-01  0.3229000
  1 1 1      23    6   22 o    1.705000      0.3550000       1.838000 0.5462000       1.573000      0.4536000      0.2652000      0.7100000
  1 1 1      23    7    0 o    11.65000      0.3441000       11.89000 0.4819000       11.41000      0.4914000      0.4809000      0.6883000
  1 1 1      23    7    1 o    4.939000      0.3344000       5.512000 0.4150000       4.365000      0.5245000       1.147000      0.6689000
  1 1 1      23    7    2 o    13.85000      0.2473000       13.83000 0.3493000       13.87000      0.3502000     -0.3924000E-01  0.4946000
  1 1 1      23    7    3 o    8.703000      0.2356000       8.845000 0.3352000       8.562000      0.3310000      0.2834000      0.4711000
  1 1 1      23    7    4 o    10.53000      0.2277000       10.53000 0.3224000       10.54000      0.3217000     -0.6410000E-02  0.4554000
  1 1 1      23    7    5 o    7.575000      0.2388000       7.823000 0.3300000       7.326000      0.3452000      0.4967000      0.4776000
  1 1 1      23    7    6 o    4.688000      0.3158000       4.241000 0.4751000       5.134000      0.4162000     -0.8933000      0.6317000
  1 1 1      23    7    7 o    2.896000      0.4542000       2.828000 0.6536000       2.964000      0.6307000     -0.1354000      0.9083000
  1 1 1      23    7    8 o    10.13000      0.2161000       10.00000 0.3028000       10.26000      0.3084000     -0.2535000      0.4322000
  1 1 1      23    7    9 o    4.090000      0.3307000       4.280000 0.4360000       3.900000      0.4973000      0.3802000      0.6614000
  1 1 1      23    7   10 o    10.89000      0.2149000       11.10000 0.3035000       10.67000      0.3044000      0.4262000      0.4298000
  1 1 1      23    7   11 o    9.084000      0.2062000       9.430000 0.2923000       8.739000      0.2908000      0.6908000      0.4123000
  1 1 1      23    7   12 o    10.42000      0.2073000       10.61000 0.2954000       10.24000      0.2908000      0.3708000      0.4146000
  1 1 1      23    7   13 o    13.65000      0.3191000       13.11000 0.4486000       14.18000      0.4538000      -1.062000      0.6381000
  1 1 1      23    7   14 o    10.43000      0.1985000       10.37000 0.2838000       10.48000      0.2775000     -0.1091000      0.3969000
  1 1 1      23    7   15 o    12.19000      0.2066000       12.00000 0.2918000       12.38000      0.2926000     -0.3813000      0.4132000
  1 1 1      23    7   16 o    5.734000      0.2831000       5.608000 0.3797000       5.859000      0.4201000     -0.2518000      0.5662000
  1 1 1      23    7   17 o    12.02000      0.1978000       12.04000 0.2805000       12.00000      0.2790000      0.4171000E-01  0.3956000
  1 1 1      23    7   18 o    12.52000      0.1999000       12.43000 0.2825000       12.62000      0.2828000     -0.1871000      0.3997000
  1 1 1      23    7   19 o    9.689000      0.1745000       9.840000 0.2510000       9.539000      0.2425000      0.3009000      0.3490000
  1 1 1      23    7   20 o    3.958000      0.2081000       4.153000 0.2975000       3.763000      0.2910000      0.3896000      0.4162000
  1 1 1      23    7   21 o    1.841000      0.3475000       1.790000 0.5123000       1.892000      0.4697000     -0.1025000      0.6950000
  1 1 1      23    7   22 o    6.456000      0.1381000       6.299000 0.1982000       6.612000      0.1925000     -0.3124000      0.2763000
  1 1 1      23    7   23 o    7.712000      0.1745000       7.914000 0.2583000       7.510000      0.2346000      0.4038000      0.3489000
  1 1 1      23    8    0 o    10.94000      0.3490000       11.21000 0.4914000       10.68000      0.4958000      0.5301000      0.6980000
  1 1 1      23    8    1 o    11.20000      0.2398000       11.20000 0.3401000       11.20000      0.3383000     -0.2527000E-03  0.4797000
  1 1 1      23    8    2 o    10.25000      0.2367000       10.17000 0.3363000       10.34000      0.3334000     -0.1676000      0.4735000
  1 1 1      23    8    3 o    17.14000      0.2737000       17.14000 0.3879000       17.14000      0.3863000     -0.6235000E-02  0.5474000
  1 1 1      23    8    4 o    10.06000      0.2280000       10.07000 0.3245000       10.04000      0.3204000      0.3589000E-01  0.4560000
  1 1 1      23    8    5 o    3.402000      0.4326000       3.089000 0.6683000       3.715000      0.5494000     -0.6262000      0.8651000
  1 1 1      23    8    6 o    6.771000      0.2454000       6.760000 0.3469000       6.782000      0.3472000     -0.2124000E-01  0.4908000
  1 1 1      23    8    7 o    7.817000      0.2292000       7.770000 0.3286000       7.863000      0.3197000     -0.9271000E-01  0.4585000
  1 1 1      23    8    8 o    9.880000      0.2178000       9.863000 0.3128000       9.897000      0.3033000     -0.3499000E-01  0.4357000
  1 1 1      23    8    9 o    7.280000      0.2278000       7.065000 0.3277000       7.495000      0.3164000     -0.4302000      0.4556000
  1 1 1      23    8   10 o    2.938000      0.4392000       2.934000 0.6334000       2.943000      0.6085000     -0.8604000E-02  0.8784000
  1 1 1      23    8   11 o    8.894000      0.2103000       8.826000 0.3003000       8.961000      0.2945000     -0.1351000      0.4206000
  1 1 1      23    8   12 o    3.571000      0.3544000       3.603000 0.5075000       3.540000      0.4946000      0.6269000E-01  0.7087000
  1 1 1      23    8   13 o    8.796000      0.2858000       9.388000 0.4160000       8.203000      0.3921000       1.185000      0.5716000
  1 1 1      23    8   14 o    10.69000      0.2049000       10.50000 0.2868000       10.88000      0.2926000     -0.3804000      0.4097000
  1 1 1      23    8   15 o    18.36000      0.2682000       18.23000 0.3776000       18.50000      0.3810000     -0.2652000      0.5365000
  1 1 1      23    8   16 o    18.27000      0.3775000       17.95000 0.5219000       18.60000      0.5455000     -0.6533000      0.7549000
  1 1 1      23    8   17 o    7.809000      0.1839000       7.750000 0.2672000       7.867000      0.2527000     -0.1172000      0.3678000
  1 1 1      23    8   18 o    11.33000      0.1901000       11.35000 0.2705000       11.32000      0.2672000      0.2348000E-01  0.3802000
  1 1 1      23    8   19 o    12.33000      0.1961000       12.45000 0.2807000       12.21000      0.2740000      0.2364000      0.3923000
  1 1 1      23    8   20 o    7.017000      0.2015000       6.990000 0.3374000       7.044000      0.2204000     -0.5326000E-01  0.4030000
  1 1 1      23    8   21 o    1.106000      0.3344000       1.306000 0.5232000      0.9067000      0.4167000      0.3991000      0.6688000
  1 1 1      23    8   22 o    8.346000      0.1747000       8.555000 0.2829000       8.136000      0.2051000      0.4192000      0.3494000
  1 1 1      23    8   23 o    5.175000      0.1358000       5.211000 0.1953000       5.140000      0.1887000      0.7183000E-01  0.2716000
  1 1 1      23    9    0 f    9.987000      0.3559000       10.59000 0.5072000       9.384000      0.4995000       1.206000      0.7118000
  1 1 1      23    9    1 o    8.497000      0.2458000       8.415000 0.3486000       8.578000      0.3466000     -0.1622000      0.4916000
  1 1 1      23    9    2 o    8.494000      0.2477000       8.126000 0.3623000       8.862000      0.3379000     -0.7363000      0.4954000
  1 1 1      23    9    3 o    17.86000      0.2817000       18.06000 0.4017000       17.65000      0.3951000      0.4015000      0.5635000
  1 1 1      23    9    4 o    8.746000      0.2371000       8.809000 0.3450000       8.682000      0.3253000      0.1270000      0.4742000
  1 1 1      23    9    5 o    5.659000      0.2810000       5.926000 0.3912000       5.391000      0.4036000      0.5347000      0.5620000
  1 1 1      23    9    6 o    4.895000      0.3062000       4.896000 0.4397000       4.894000      0.4262000      0.1661000E-02  0.6123000
  1 1 1      23    9    7 f    12.72000      0.2323000       12.57000 0.3288000       12.88000      0.3283000     -0.3134000      0.4646000
  1 1 1      23    9    8 o    13.37000      0.2327000       13.41000 0.3332000       13.32000      0.3248000      0.8956000E-01  0.4653000
  1 1 1      23    9    9 o    1.985000      0.5011000       2.160000 0.7277000       1.809000      0.6891000      0.3511000       1.002000
  1 1 1      23    9   10 o    4.228000      0.3156000       4.223000 0.4622000       4.232000      0.4298000     -0.8162000E-02  0.6312000
  1 1 1      23    9   11 o    8.972000      0.2124000       8.900000 0.3061000       9.044000      0.2947000     -0.1439000      0.4249000
  1 1 1      23    9   12 o    9.937000      0.2078000       9.826000 0.2975000       10.05000      0.2902000     -0.2225000      0.4156000
  1 1 1      23    9   13 o    10.61000      0.2888000       11.02000 0.4218000       10.20000      0.3945000      0.8284000      0.5775000
  1 1 1      23    9   14 o    5.950000      0.3144000       5.743000 0.4912000       6.158000      0.3925000     -0.4149000      0.6288000
  1 1 1      23    9   15 o    11.14000      0.2002000       11.24000 0.2878000       11.04000      0.2783000      0.1976000      0.4003000
  1 1 1      23    9   16 o    18.17000      0.3777000       18.02000 0.5262000       18.32000      0.5420000     -0.3050000      0.7554000
  1 1 1      23    9   17 o    6.739000      0.2837000       6.327000 0.4026000       7.151000      0.3999000     -0.8245000      0.5675000
  1 1 1      23    9   18 o    4.065000      0.2451000       3.962000 0.3755000       4.169000      0.3151000     -0.2070000      0.4902000
  1 1 1      23    9   19 o    18.67000      0.2651000       18.67000 0.3751000       18.67000      0.3746000     -0.8078000E-02  0.5301000
  1 1 1      23    9   20 o    3.919000      0.2208000       3.650000 0.3456000       4.188000      0.2749000     -0.5375000      0.4416000
  1 1 1      23    9   21 o    1.392000      0.3575000       1.704000 0.5465000       1.080000      0.4611000      0.6234000      0.7150000
  1 1 1      23    9   22 o    2.944000      0.2285000       2.792000 0.3578000       3.096000      0.2842000     -0.3047000      0.4569000
  1 1 1      23    9   23 o    6.836000      0.1487000       6.906000 0.1993000       6.767000      0.2207000      0.1383000      0.2974000
  1 1 1      23    9   24 o    6.063000      0.2010000       6.406000 0.2526000       5.721000      0.3128000      0.6854000      0.4021000
  1 1 1      23   10    0 o    2.112000      0.5827000       1.453000 0.6891000       2.770000      0.9397000      -1.316000       1.165000
  1 1 1      23   10    1 o    10.52000      0.2396000       10.55000 0.3431000       10.50000      0.3347000      0.4502000E-01  0.4793000
  1 1 1      23   10    2 o    12.42000      0.3005000       12.05000 0.3416000       12.78000      0.4945000     -0.7360000      0.6010000
  1 1 1      23   10    3 o    21.76000      0.3231000       22.04000 0.4624000       21.48000      0.4513000      0.5583000      0.6461000
  1 1 1      23   10    4 o    13.44000      0.2435000       13.73000 0.3521000       13.16000      0.3364000      0.5660000      0.4869000
  1 1 1      23   10    5 o    8.242000      0.2362000       8.334000 0.3377000       8.150000      0.3303000      0.1841000      0.4724000
  1 1 1      23   10    6 o    7.203000      0.2471000       7.289000 0.3563000       7.118000      0.3426000      0.1709000      0.4943000
  1 1 1      23   10    7 o    6.639000      0.2504000       7.042000 0.3500000       6.236000      0.3581000      0.8063000      0.5007000
  1 1 1      23   10    8 o    8.897000      0.2231000       8.784000 0.3232000       9.011000      0.3075000     -0.2264000      0.4461000
  1 1 1      23   10    9 o    12.21000      0.2244000       12.23000 0.3191000       12.18000      0.3156000      0.5084000E-01  0.4488000
  1 1 1      23   10   10 o    4.604000      0.2923000       4.852000 0.4033000       4.356000      0.4233000      0.4965000      0.5847000
  1 1 1      23   10   11 o    3.061000      0.4189000       3.919000 0.5077000       2.202000      0.6665000       1.718000      0.8379000
  1 1 1      23   10   12 o    6.000000      0.2395000       5.873000 0.3539000       6.127000      0.3228000     -0.2540000      0.4790000
  1 1 1      23   10   13 o    9.690000      0.2059000       9.563000 0.2948000       9.818000      0.2875000     -0.2541000      0.4118000
  1 1 1      23   10   14 o    8.452000      0.2781000       8.642000 0.4218000       8.263000      0.3624000      0.3788000      0.5561000
  1 1 1      23   10   15 o    3.934000      0.2968000       3.407000 0.4874000       4.462000      0.3389000      -1.055000      0.5937000
  1 1 1      23   10   16 o    11.87000      0.2010000       11.79000 0.2853000       11.96000      0.2831000     -0.1734000      0.4019000
  1 1 1      23   10   17 o    8.106000      0.2781000       7.968000 0.3717000       8.243000      0.4136000     -0.2749000      0.5561000
  1 1 1      23   10   18 o    5.443000      0.3200000       5.475000 0.4337000       5.411000      0.4708000      0.6370000E-01  0.6401000
  1 1 1      23   10   19 o    12.95000      0.2020000       12.85000 0.2849000       13.04000      0.2865000     -0.1940000      0.4041000
  1 1 1      23   10   20 o    8.528000      0.1646000       8.520000 0.2343000       8.536000      0.2312000     -0.1617000E-01  0.3292000
  1 1 1      23   10   21 o    5.763000      0.1570000       5.755000 0.2322000       5.771000      0.2114000     -0.1597000E-01  0.3140000
  1 1 1      23   10   22 o    6.094000      0.2409000       6.510000 0.2143000       5.677000      0.4314000      0.8323000      0.4817000
  1 1 1      23   10   23 o    8.335000      0.1638000       8.354000 0.2193000       8.316000      0.2433000      0.3787000E-01  0.3275000
  1 1 1      23   10   24 o    3.930000      0.3167000       4.212000 0.3750000       3.648000      0.5104000      0.5637000      0.6333000
  1 1 1      23   10   25 o    4.138000      0.3521000       4.138000 0.3521000                  ?              ?              ?              ?
  1 1 1      23   10   26 o    2.350000      0.3477000       2.584000 0.4303000       2.116000      0.5464000      0.4683000      0.6955000
  1 1 1      23   11    0 o    9.650000      0.3482000       9.650000 0.4861000       9.650000      0.4987000     -0.3939000E-03  0.6965000
  1 1 1      23   11    1 o    3.059000      0.5243000       2.894000 0.7894000       3.223000      0.6903000     -0.3286000       1.049000
  1 1 1      23   11    2 o    15.09000      0.2598000       15.83000 0.3769000       14.36000      0.3577000       1.475000      0.5196000
  1 1 1      23   11    3 o    15.03000      0.2574000       14.96000 0.3671000       15.09000      0.3609000     -0.1312000      0.5148000
  1 1 1      23   11    4 o    9.499000      0.2343000       9.573000 0.3390000       9.425000      0.3235000      0.1481000      0.4686000
  1 1 1      23   11    5 o    18.83000      0.2891000       18.84000 0.4099000       18.82000      0.4078000      0.2238000E-01  0.5782000
  1 1 1      23   11    6 o    14.25000      0.2453000       14.28000 0.3494000       14.22000      0.3445000      0.5967000E-01  0.4907000
  1 1 1      23   11    7 o    10.28000      0.2251000       10.20000 0.3195000       10.35000      0.3173000     -0.1521000      0.4503000
  1 1 1      23   11    8 o    11.15000      0.2258000       11.00000 0.3231000       11.29000      0.3154000     -0.2958000      0.4515000
  1 1 1      23   11    9 o    6.748000      0.2406000       6.621000 0.3590000       6.874000      0.3203000     -0.2530000      0.4811000
  1 1 1      23   11   10 o    8.877000      0.2173000       8.978000 0.3135000       8.777000      0.3009000      0.2016000      0.4345000
  1 1 1      23   11   11 f    12.80000      0.2265000       13.04000 0.3248000       12.56000      0.3158000      0.4886000      0.4530000
  1 1 1      23   11   12 o    7.715000      0.2150000       7.567000 0.3140000       7.864000      0.2937000     -0.2975000      0.4299000
  1 1 1      23   11   13 o    1.851000      0.4793000       1.760000 0.6854000       1.943000      0.6702000     -0.1830000      0.9586000
  1 1 1      23   11   14 o    9.920000      0.2756000       10.11000 0.4068000       9.729000      0.3720000      0.3822000      0.5512000
  1 1 1      23   11   15 o    12.59000      0.2931000       12.46000 0.4252000       12.72000      0.4035000     -0.2589000      0.5862000
  1 1 1      23   11   16 o    9.171000      0.1902000       9.263000 0.2779000       9.080000      0.2596000      0.1831000      0.3803000
  1 1 1      23   11   17 o    1.936000      0.4077000       2.446000 0.5939000       1.427000      0.5586000       1.019000      0.8153000
  1 1 1      23   11   18 o    8.823000      0.2831000       9.136000 0.3779000       8.511000      0.4217000      0.6253000      0.5663000
  1 1 1      23   11   19 o    4.336000      0.4045000       4.243000 0.5267000       4.430000      0.6141000     -0.1870000      0.8091000
  1 1 1      23   11   20 o    7.703000      0.1633000       7.625000 0.2318000       7.782000      0.2300000     -0.1573000      0.3265000
  1 1 1      23   11   21 o    2.354000      0.3144000       2.672000 0.4008000       2.036000      0.4846000      0.6368000      0.6288000
  1 1 1      23   11   22 o    4.774000      0.1753000       4.626000 0.2454000       4.923000      0.2506000     -0.2977000      0.3507000
  1 1 1      23   11   23 o    3.143000      0.3190000       3.130000 0.3828000       3.156000      0.5103000     -0.2619000E-01  0.6380000
  1 1 1      23   11   24 o    3.977000      0.3386000       4.380000 0.3779000       3.575000      0.5619000      0.8054000      0.6772000
  1 1 1      23   11   25 o    2.922000      0.5552000       2.922000 0.5552000                  ?              ?              ?              ?
  1 1 1      23   11   26 o    3.978000      0.2602000       4.223000 0.3340000       3.733000      0.3991000      0.4902000      0.5204000
  1 1 1      23   11   27 o    4.478000      0.2858000                  ?       ?   4.478000      0.2858000                  ?              ?
  1 1 1      23   11   28 o    1.341000      0.3764000       1.433000 0.5481000       1.249000      0.5160000      0.1832000      0.7527000
  1 1 1      23   11   29 o    1.261000      0.3632000       1.219000 0.5084000       1.302000      0.5187000     -0.8261000E-01  0.7263000
  1 1 1      23   11   30 o    1.958000      0.3769000       1.543000 0.5145000       2.373000      0.5510000     -0.8310000      0.7538000
  1 1 1      23   12    0 o    11.62000      0.3591000       12.04000 0.5158000       11.20000      0.4997000      0.8429000      0.7181000
  1 1 1      23   12    1 o    3.697000      0.6519000       4.104000 0.8950000       3.291000      0.9481000      0.8127000       1.304000
  1 1 1      23   12    2 o    11.56000      0.2442000       11.35000 0.3463000       11.77000      0.3444000     -0.4141000      0.4884000
  1 1 1      23   12    3 o    18.18000      0.2869000       18.34000 0.4071000       18.02000      0.4042000      0.3128000      0.5737000
  1 1 1      23   12    4 f    12.81000      0.2418000       12.75000 0.3483000       12.87000      0.3354000     -0.1203000      0.4835000
  1 1 1      23   12    5 o    19.09000      0.2919000       19.28000 0.4168000       18.89000      0.4087000      0.3893000      0.5838000
  1 1 1      23   12    6 o    12.70000      0.2358000       12.81000 0.3396000       12.59000      0.3273000      0.2171000      0.4716000
  1 1 1      23   12    7 f    7.783000      0.2347000       7.811000 0.3382000       7.754000      0.3255000      0.5682000E-01  0.4694000
  1 1 1      23   12    8 o    3.833000      0.3792000       4.145000 0.5089000       3.521000      0.5624000      0.6237000      0.7584000
  1 1 1      23   12    9 o    13.63000      0.2357000       13.71000 0.3374000       13.54000      0.3292000      0.1684000      0.4714000
  1 1 1      23   12   10 f    4.935000      0.2944000       4.891000 0.4277000       4.980000      0.4045000     -0.8902000E-01  0.5887000
  1 1 1      23   12   11 o    6.129000      0.2432000       5.961000 0.3599000       6.297000      0.3271000     -0.3352000      0.4864000
  1 1 1      23   12   12 o    7.343000      0.2205000       7.161000 0.3178000       7.525000      0.3056000     -0.3636000      0.4409000
  1 1 1      23   12   13 o    7.617000      0.2149000       7.504000 0.3064000       7.731000      0.3013000     -0.2275000      0.4298000
  1 1 1      23   12   14 o    14.54000      0.2322000       14.61000 0.3308000       14.47000      0.3260000      0.1401000      0.4644000
  1 1 1      23   12   15 o    2.559000      0.5020000       3.415000 0.7459000       1.704000      0.6719000       1.712000       1.004000
  1 1 1      23   12   16 o    10.69000      0.2639000       10.81000 0.3944000       10.57000      0.3506000      0.2416000      0.5277000
  1 1 1      23   12   17 o    3.193000      0.3076000       3.643000 0.3997000       2.744000      0.4677000      0.8990000      0.6152000
  1 1 1      23   12   18 o    8.026000      0.1759000       8.053000 0.2496000       7.998000      0.2481000      0.5513000E-01  0.3519000
  1 1 1      23   12   19 o    1.047000      0.3315000       1.126000 0.4991000      0.9675000      0.4366000      0.1588000      0.6631000
  1 1 1      23   12   20 o    2.977000      0.5341000       3.200000 0.6594000       2.754000      0.8403000      0.4456000       1.068000
  1 1 1      23   12   21 o    1.909000      0.3415000       1.700000 0.5021000       2.118000      0.4629000     -0.4179000      0.6829000
  1 1 1      23   12   22 o    1.895000      0.4155000       2.014000 0.5529000       1.776000      0.6204000      0.2379000      0.8310000
  1 1 1      23   12   23 o    1.971000      0.4641000       1.596000 0.6147000       2.345000      0.6956000     -0.7486000      0.9283000
  1 1 1      23   12   24 o    4.270000      0.3385000       4.435000 0.3944000       4.106000      0.5503000      0.3294000      0.6770000
  1 1 1      23   12   25 o    4.017000      0.3852000       4.081000 0.4205000       3.954000      0.6456000      0.1268000      0.7704000
  1 1 1      23   12   26 o    6.892000      0.2640000       7.196000 0.2704000       6.589000      0.4535000      0.6068000      0.5280000
  1 1 1      23   12   27 o    2.802000      0.3568000       2.072000 0.6065000       3.532000      0.3759000      -1.460000      0.7136000
  1 1 1      23   12   28 o    3.168000      0.2903000       3.222000 0.4156000       3.114000      0.4056000      0.1082000      0.5807000
  1 1 1      23   12   29 o    2.603000      0.3387000       2.608000 0.4792000       2.598000      0.4787000      0.9351000E-02  0.6774000
  1 1 1      23   12   30 o    1.691000      0.3898000       2.013000 0.5437000       1.369000      0.5586000      0.6436000      0.7795000
  1 1 1      23   13    0 o    10.89000      0.2527000       10.81000 0.3674000       10.97000      0.3471000     -0.1559000      0.5054000
  1 1 1      23   13    1 o    3.062000      0.6916000       3.316000 1.003000       2.807000      0.9528000      0.5083000       1.383000
  1 1 1      23   13    2 o    7.179000      0.2665000       6.982000 0.3865000       7.376000      0.3669000     -0.3936000      0.5329000
  1 1 1      23   13    3 o    5.464000      0.3082000       5.705000 0.4296000       5.223000      0.4421000      0.4822000      0.6164000
  1 1 1      23   13    4 o    5.191000      0.3219000       5.471000 0.4515000       4.911000      0.4590000      0.5602000      0.6439000
  1 1 1      23   13    5 o    7.777000      0.2454000       7.878000 0.3546000       7.676000      0.3394000      0.2027000      0.4908000
  1 1 1      23   13    6 o    10.14000      0.2306000       10.08000 0.3304000       10.20000      0.3218000     -0.1258000      0.4612000
  1 1 1      23   13    7 o    15.50000      0.2543000       15.48000 0.3619000       15.52000      0.3574000     -0.4587000E-01  0.5087000
  1 1 1      23   13    8 o    11.63000      0.2286000       11.70000 0.3265000       11.57000      0.3201000      0.1345000      0.4572000
  1 1 1      23   13    9 o    22.46000      0.3248000       22.48000 0.4595000       22.45000      0.4593000      0.3687000E-01  0.6497000
  1 1 1      23   13   10 o    10.98000      0.2171000       11.19000 0.3097000       10.78000      0.3042000      0.4038000      0.4341000
  1 1 1      23   13   11 o    11.02000      0.2120000       11.19000 0.3046000       10.85000      0.2951000      0.3426000      0.4241000
  1 1 1      23   13   12 o    13.27000      0.2267000       13.56000 0.3250000       12.98000      0.3162000      0.5832000      0.4534000
  1 1 1      23   13   13 o    14.58000      0.2349000       14.73000 0.3345000       14.43000      0.3299000      0.3004000      0.4698000
  1 1 1      23   13   14 o    13.60000      0.2238000       13.65000 0.3196000       13.55000      0.3133000      0.9559000E-01  0.4475000
  1 1 1      23   13   15 o    14.25000      0.2289000       14.22000 0.3231000       14.29000      0.3244000     -0.7001000E-01  0.4579000
  1 1 1      23   13   16 o    9.491000      0.1935000       9.389000 0.2776000       9.593000      0.2695000     -0.2033000      0.3869000
  1 1 1      23   13   17 o    6.313000      0.2410000       6.476000 0.3699000       6.151000      0.3090000      0.3246000      0.4820000
  1 1 1      23   13   18 o    7.172000      0.2203000       7.141000 0.3309000       7.202000      0.2909000     -0.6030000E-01  0.4406000
  1 1 1      23   13   19 o    8.693000      0.1727000       8.611000 0.2460000       8.774000      0.2423000     -0.1631000      0.3453000
  1 1 1      23   13   20 o    10.76000      0.1819000       10.69000 0.2544000       10.82000      0.2600000     -0.1347000      0.3637000
  1 1 1      23   13   21 o    1.550000      0.3970000       1.516000 0.5562000       1.585000      0.5667000     -0.6817000E-01  0.7941000
  1 1 1      23   13   22 o    2.246000      0.5603000       2.196000 0.7494000       2.296000      0.8333000     -0.9953000E-01   1.121000
  1 1 1      23   13   23 o    2.130000      0.5289000       1.363000 0.6211000       2.897000      0.8563000      -1.534000       1.058000
  1 1 1      23   13   24 o    1.891000      0.5023000       2.106000 0.6871000       1.677000      0.7329000      0.4285000       1.005000
  1 1 1      23   13   25 o    2.628000      0.4587000       3.375000 0.5367000       1.881000      0.7441000       1.493000      0.9175000
  1 1 1      23   13   26 o    2.137000      0.4433000       2.729000 0.5915000       1.544000      0.6606000       1.185000      0.8867000
  1 1 1      23   13   27 o    1.378000      0.4192000       1.262000 0.5569000       1.494000      0.6266000     -0.2317000      0.8383000
  1 1 1      23   13   28 o    4.071000      0.2707000       4.397000 0.3424000       3.745000      0.4194000      0.6521000      0.5415000
  1 1 1      23   13   29 o    3.278000      0.3276000       3.860000 0.3818000       2.697000      0.5324000       1.163000      0.6551000
  1 1 1      23   13   30 f    2.696000      0.4577000       2.494000 0.5418000       2.898000      0.7379000     -0.4046000      0.9154000
  1 1 1      23   14    0 o    6.921000      0.2922000       6.547000 0.4469000       7.296000      0.3765000     -0.7481000      0.5844000
  1 1 1      23   14    1 f    8.900000      0.3790000       9.183000 0.5186000       8.617000      0.5528000      0.5661000      0.7580000
  1 1 1      23   14    2 o    12.67000      0.3650000       12.70000 0.5037000       12.63000      0.5283000      0.6810000E-01  0.7299000
  1 1 1      23   14    3 o    1.920000      0.5318000       1.855000 0.7502000       1.985000      0.7540000     -0.1301000       1.064000
  1 1 1      23   14    4 o    1.885000      0.5171000       1.649000 0.7161000       2.121000      0.7461000     -0.4715000       1.034000
  1 1 1      23   14    5 o    6.447000      0.2723000       6.908000 0.3874000       5.985000      0.3828000      0.9228000      0.5446000
  1 1 1      23   14    6 o    9.409000      0.2336000       9.344000 0.3361000       9.473000      0.3246000     -0.1291000      0.4672000
  1 1 1      23   14    7 o    11.38000      0.2267000       11.51000 0.3252000       11.26000      0.3159000      0.2451000      0.4534000
  1 1 1      23   14    8 o    8.652000      0.2280000       8.839000 0.3285000       8.464000      0.3161000      0.3754000      0.4559000
  1 1 1      23   14    9 o    7.352000      0.2328000       7.306000 0.3384000       7.398000      0.3199000     -0.9172000E-01  0.4657000
  1 1 1      23   14   10 o    10.30000      0.2168000       9.978000 0.3068000       10.62000      0.3063000     -0.6473000      0.4335000
  1 1 1      23   14   11 o    6.643000      0.2315000       6.649000 0.3370000       6.637000      0.3175000      0.1231000E-01  0.4630000
  1 1 1      23   14   12 o    7.884000      0.2172000       8.008000 0.3157000       7.761000      0.2984000      0.2471000      0.4344000
  1 1 1      23   14   13 f    14.91000      0.2382000       15.23000 0.3425000       14.59000      0.3312000      0.6448000      0.4764000
  1 1 1      23   14   14 o    10.50000      0.2046000       10.75000 0.2960000       10.25000      0.2826000      0.4961000      0.4092000
  1 1 1      23   14   15 o    14.52000      0.2304000       14.54000 0.3266000       14.51000      0.3251000      0.2499000E-01  0.4608000
  1 1 1      23   14   16 o    10.27000      0.1976000       10.19000 0.2816000       10.35000      0.2774000     -0.1667000      0.3953000
  1 1 1      23   14   17 o    6.962000      0.1896000       7.132000 0.2757000       6.791000      0.2605000      0.3407000      0.3793000
  1 1 1      23   14   18 o    6.534000      0.1793000       6.710000 0.2635000       6.359000      0.2433000      0.3518000      0.3587000
  1 1 1      23   14   19 o    10.13000      0.2309000       9.926000 0.3324000       10.32000      0.3206000     -0.3989000      0.4618000
  1 1 1      23   14   20 o    12.17000      0.2571000       11.89000 0.3578000       12.44000      0.3693000     -0.5586000      0.5142000
  1 1 1      23   14   21 o    4.381000      0.2396000       4.155000 0.3687000       4.608000      0.3061000     -0.4530000      0.4792000
  1 1 1      23   14   22 o    8.897000      0.1862000       9.176000 0.2473000       8.618000      0.2783000      0.5582000      0.3723000
  1 1 1      23   14   23 o    3.008000      0.4475000       3.184000 0.5176000       2.833000      0.7301000      0.3509000      0.8949000
  1 1 1      23   14   24 o    2.396000      0.4668000       2.975000 0.5640000       1.817000      0.7438000       1.158000      0.9335000
  1 1 1      23   14   25 o    3.710000      0.4394000       3.553000 0.5477000       3.867000      0.6873000     -0.3134000      0.8788000
  1 1 1      23   14   26 o    2.066000      0.5203000       1.846000 0.6873000       2.287000      0.7813000     -0.4409000       1.041000
  1 1 1      23   14   27 f    2.646000      0.5284000       2.876000 0.6458000       2.415000      0.8364000      0.4612000       1.057000
  1 1 1      23   14   28 o    3.746000      0.4451000       3.587000 0.6033000       3.906000      0.6545000     -0.3186000      0.8902000
  1 1 1      23   14   29 o    2.138000      0.5476000       2.190000 0.7530000       2.086000      0.7952000      0.1044000       1.095000
  1 1 1      23   15    0 f    2.872000      0.5763000       3.057000 0.8309000       2.688000      0.7988000      0.3690000       1.153000
  1 1 1      23   15    1 o    13.18000      0.2546000       13.47000 0.3676000       12.89000      0.3525000      0.5841000      0.5093000
  1 1 1      23   15    2 o    13.53000      0.3658000       13.55000 0.5129000       13.50000      0.5216000      0.5207000E-01  0.7315000
  1 1 1      23   15    3 o    9.683000      0.3558000       9.859000 0.4769000       9.507000      0.5280000      0.3522000      0.7115000
  1 1 1      23   15    4 o    10.69000      0.2393000       10.75000 0.3432000       10.64000      0.3336000      0.1099000      0.4786000
  1 1 1      23   15    5 o    9.998000      0.2339000       10.21000 0.3390000       9.783000      0.3222000      0.4303000      0.4677000
  1 1 1      23   15    6 o    6.781000      0.2625000       6.681000 0.3887000       6.882000      0.3528000     -0.2016000      0.5249000
  1 1 1      23   15    7 o    8.835000      0.2326000       9.001000 0.3291000       8.670000      0.3287000      0.3304000      0.4651000
  1 1 1      23   15    8 o    2.074000      0.5089000       2.394000 0.7479000       1.753000      0.6903000      0.6408000       1.018000
  1 1 1      23   15    9 o    8.088000      0.2244000       7.993000 0.3289000       8.183000      0.3055000     -0.1897000      0.4489000
  1 1 1      23   15   10 f    16.01000      0.2550000       16.02000 0.3600000       15.99000      0.3612000      0.2775000E-01  0.5099000
  1 1 1      23   15   11 o    6.923000      0.2270000       7.062000 0.3246000       6.783000      0.3175000      0.2790000      0.4541000
  1 1 1      23   15   12 o    4.385000      0.2954000       4.867000 0.4170000       3.904000      0.4184000      0.9626000      0.5907000
  1 1 1      23   15   13 o    8.365000      0.2077000       8.122000 0.3032000       8.607000      0.2841000     -0.4851000      0.4155000
  1 1 1      23   15   14 o    4.239000      0.2872000       4.122000 0.4407000       4.355000      0.3683000     -0.2330000      0.5744000
  1 1 1      23   15   15 o    14.68000      0.2312000       14.65000 0.3264000       14.70000      0.3275000     -0.4856000E-01  0.4624000
  1 1 1      23   15   16 o    7.069000      0.1986000       6.892000 0.2923000       7.247000      0.2689000     -0.3557000      0.3972000
  1 1 1      23   15   17 o    17.47000      0.2561000       17.73000 0.3645000       17.20000      0.3598000      0.5363000      0.5122000
  1 1 1      23   15   18 o    4.062000      0.2412000       4.261000 0.3481000       3.862000      0.3340000      0.3991000      0.4824000
  1 1 1      23   15   19 o    11.71000      0.1951000       11.56000 0.2715000       11.86000      0.2802000     -0.2994000      0.3902000
  1 1 1      23   15   20 o    10.41000      0.1860000       10.18000 0.2554000       10.64000      0.2704000     -0.4608000      0.3719000
  1 1 1      23   15   21 o    5.016000      0.2471000       5.122000 0.3084000       4.911000      0.3862000      0.2109000      0.4943000
  1 1 1      23   15   22 o    7.834000      0.3003000       8.036000 0.3535000       7.632000      0.4855000      0.4034000      0.6005000
  1 1 1      23   15   23 o    5.714000      0.5302000       6.756000 0.5412000       4.673000      0.9118000       2.084000       1.060000
  1 1 1      23   15   24 o    4.731000      0.7074000       5.810000 0.7217000       3.651000       1.217000       2.159000       1.415000
  1 1 1      23   15   25 o    3.074000      0.6434000       4.148000 1.056000       2.000000      0.7361000       2.148000       1.287000
  1 1 1      23   15   26 o    3.311000      0.5587000       3.311000 0.5587000                  ?              ?              ?              ?
  1 1 1      23   15   27 o    4.781000      0.3034000       5.085000 0.3895000       4.478000      0.4652000      0.6073000      0.6067000
  1 1 1      23   15   28 o    1.308000      0.4068000       1.525000 0.6168000       1.091000      0.5307000      0.4345000      0.8136000
  1 1 1      23   15   29 o    2.987000      0.4188000       3.451000 0.5086000       2.523000      0.6656000      0.9272000      0.8377000
  1 1 1      23   16    0 o    10.07000      0.3574000       9.808000 0.5492000       10.33000      0.4575000     -0.5259000      0.7148000
  1 1 1      23   16    1 o    2.433000      0.5736000       2.444000 0.8395000       2.423000      0.7819000      0.2115000E-01   1.147000
  1 1 1      23   16    2 o    10.39000      0.2447000       10.17000 0.3565000       10.61000      0.3353000     -0.4347000      0.4894000
  1 1 1      23   16    3 o    13.74000      0.3661000       13.69000 0.5048000       13.78000      0.5302000     -0.9367000E-01  0.7321000
  1 1 1      23   16    4 o    10.07000      0.3600000       10.22000 0.4941000       9.915000      0.5238000      0.3049000      0.7201000
  1 1 1      23   16    5 o    4.010000      0.4006000       4.686000 0.4872000       3.335000      0.6360000       1.351000      0.8012000
  1 1 1      23   16    6 o    8.278000      0.2393000       8.156000 0.3528000       8.401000      0.3232000     -0.2453000      0.4785000
  1 1 1      23   16    7 o    6.642000      0.2559000       6.663000 0.3809000       6.621000      0.3417000      0.4243000E-01  0.5117000
  1 1 1      23   16    8 o    9.069000      0.2265000       8.975000 0.3266000       9.163000      0.3140000     -0.1873000      0.4530000
  1 1 1      23   16    9 o    4.854000      0.3070000       5.088000 0.4354000       4.620000      0.4329000      0.4679000      0.6140000
  1 1 1      23   16   10 f    5.908000      0.2541000       6.049000 0.3781000       5.766000      0.3395000      0.2838000      0.5082000
  1 1 1      23   16   11 o    15.56000      0.2470000       15.84000 0.3536000       15.29000      0.3450000      0.5496000      0.4941000
  1 1 1      23   16   12 o    14.14000      0.2333000       14.32000 0.3341000       13.95000      0.3256000      0.3727000      0.4665000
  1 1 1      23   16   13 o    10.75000      0.2063000       10.96000 0.2971000       10.55000      0.2864000      0.4047000      0.4126000
  1 1 1      23   16   14 o    8.634000      0.2034000       8.514000 0.2917000       8.753000      0.2836000     -0.2392000      0.4068000
  1 1 1      23   16   15 o    14.52000      0.2298000       14.43000 0.3230000       14.60000      0.3271000     -0.1744000      0.4597000
  1 1 1      23   16   16 o    9.430000      0.1908000       9.426000 0.2707000       9.435000      0.2690000     -0.9086000E-02  0.3816000
  1 1 1      23   16   17 o    13.72000      0.2182000       13.68000 0.3058000       13.76000      0.3115000     -0.7817000E-01  0.4365000
  1 1 1      23   16   18 o    12.00000      0.2018000       11.94000 0.2778000       12.06000      0.2927000     -0.1190000      0.4035000
  1 1 1      23   16   19 o    13.94000      0.2180000       13.98000 0.3054000       13.89000      0.3111000      0.9151000E-01  0.4359000
  1 1 1      23   16   20 o    6.934000      0.1887000       6.932000 0.2619000       6.936000      0.2716000     -0.3906000E-02  0.3773000
  1 1 1      23   16   21 o    2.011000      0.4482000       2.429000 0.5990000       1.593000      0.6669000      0.8355000      0.8964000
  1 1 1      23   16   22 o    1.638000      0.4835000       1.510000 0.6335000       1.766000      0.7305000     -0.2558000      0.9669000
  1 1 1      23   16   23 o    9.374000      0.2701000       9.253000 0.3063000       9.495000      0.4450000     -0.2422000      0.5402000
  1 1 1      23   16   24 o    6.111000      0.3148000       6.845000 0.3427000       5.377000      0.5282000       1.468000      0.6296000
  1 1 1      23   16   25 o    2.213000      0.5258000       2.387000 0.6935000       2.039000      0.7904000      0.3484000       1.052000
  1 1 1      23   16   26 o    2.856000      0.6636000       2.856000 0.6636000                  ?              ?              ?              ?
  1 1 1      23   16   27 o    2.890000      0.6757000       3.750000 1.009000       2.030000      0.8994000       1.721000       1.351000
  1 1 1      23   16   28 o    2.045000      0.8536000                  ?       ?   2.045000      0.8536000                  ?              ?
  1 1 1      23   16   29 o    1.899000      0.5718000       1.767000 0.7861000       2.030000      0.8306000     -0.2629000       1.144000
  1 1 1      23   17    0 o    9.109000      0.4661000                  ?       ?   9.109000      0.4661000                  ?              ?
  1 1 1      23   17    1 o    6.756000      0.3884000       6.971000 0.5913000       6.541000      0.5039000      0.4296000      0.7769000
  1 1 1      23   17    2 o    21.32000      0.3224000       21.29000 0.4574000       21.36000      0.4545000     -0.7591000E-01  0.6448000
  1 1 1      23   17    3 o    16.53000      0.2737000       16.80000 0.3933000       16.26000      0.3807000      0.5392000      0.5473000
  1 1 1      23   17    4 o    4.411000      0.4672000       4.566000 0.8215000       4.255000      0.4451000      0.3107000      0.9343000
  1 1 1      23   17    5 o    11.46000      0.3533000       11.88000 0.4879000       11.04000      0.5110000      0.8431000      0.7065000
  1 1 1      23   17    6 o    7.779000      0.3311000       7.738000 0.3594000       7.820000      0.5563000     -0.8199000E-01  0.6623000
  1 1 1      23   17    7 o    4.445000      0.3459000       4.769000 0.4895000       4.121000      0.4888000      0.6483000      0.6918000
  1 1 1      23   17    8 o    11.40000      0.2293000       11.49000 0.3313000       11.30000      0.3171000      0.1925000      0.4586000
  1 1 1      23   17    9 o    5.695000      0.2692000       5.637000 0.4091000       5.753000      0.3501000     -0.1159000      0.5385000
  1 1 1      23   17   10 o    1.555000      0.4611000       1.786000 0.7115000       1.323000      0.5867000      0.4634000      0.9222000
  1 1 1      23   17   11 o    6.611000      0.2321000       6.852000 0.3369000       6.370000      0.3193000      0.4822000      0.4642000
  1 1 1      23   17   12 o    12.08000      0.2175000       11.82000 0.3073000       12.33000      0.3079000     -0.5174000      0.4350000
  1 1 1      23   17   13 o    3.823000      0.3152000       3.814000 0.4708000       3.832000      0.4193000     -0.1744000E-01  0.6304000
  1 1 1      23   17   14 f    3.369000      0.3514000       3.641000 0.4938000       3.097000      0.5000000      0.5442000      0.7027000
  1 1 1      23   17   15 o    8.295000      0.1965000       8.724000 0.2749000       7.867000      0.2808000      0.8567000      0.3930000
  1 1 1      23   17   16 o    13.37000      0.2167000       13.38000 0.3054000       13.36000      0.3074000      0.1968000E-01  0.4333000
  1 1 1      23   17   17 o    6.372000      0.1963000       6.497000 0.2774000       6.247000      0.2778000      0.2498000      0.3926000
  1 1 1      23   17   18 o    9.156000      0.1894000       9.339000 0.2630000       8.973000      0.2725000      0.3657000      0.3787000
  1 1 1      23   17   19 o    9.520000      0.1898000       9.320000 0.2599000       9.720000      0.2767000     -0.4001000      0.3796000
  1 1 1      23   17   20 o    6.946000      0.2165000       6.951000 0.2819000       6.941000      0.3288000      0.1001000E-01  0.4330000
  1 1 1      23   17   21 o    7.219000      0.2185000       7.056000 0.2797000       7.381000      0.3356000     -0.3250000      0.4369000
  1 1 1      23   17   22 o    3.368000      0.4475000       3.187000 0.5856000       3.549000      0.6769000     -0.3614000      0.8950000
  1 1 1      23   17   23 o    5.361000      0.3218000       5.522000 0.3743000       5.200000      0.5236000      0.3216000      0.6436000
  1 1 1      23   17   24 o    5.500000      0.3470000       6.359000 0.3513000       4.640000      0.5984000       1.719000      0.6939000
  1 1 1      23   17   25 o    1.971000      0.5408000       1.802000 0.6871000       2.140000      0.8354000     -0.3383000       1.082000
  1 1 1      23   17   26 o    2.415000      0.4957000       2.937000 0.6319000       1.894000      0.7639000       1.043000      0.9913000
  1 1 1      23   17   27 o    2.484000      0.5150000       2.780000 0.6564000       2.189000      0.7938000      0.5911000       1.030000
  1 1 1      23   17   28 o    3.035000      0.7184000                  ?       ?   3.035000      0.7184000                  ?              ?
  1 1 1      23   17   29 f    4.883000      0.3046000       4.797000 0.4338000       4.968000      0.4278000     -0.1709000      0.6093000
  1 1 1      23   18    0 o    7.813000      0.3605000                  ?       ?   7.813000      0.3605000                  ?              ?
  1 1 1      23   18    1 o    10.99000      0.2520000       11.45000 0.3641000       10.54000      0.3484000      0.9179000      0.5039000
  1 1 1      23   18    2 o    14.41000      0.3562000       14.52000 0.5264000       14.31000      0.4801000      0.2100000      0.7124000
  1 1 1      23   18    3 o    12.38000      0.3357000       12.31000 0.4938000       12.45000      0.4548000     -0.1469000      0.6714000
  1 1 1      23   18    4 f    10.17000      0.2391000       10.25000 0.3444000       10.09000      0.3316000      0.1580000      0.4781000
  1 1 1      23   18    5 o    7.749000      0.2517000       7.990000 0.3625000       7.508000      0.3493000      0.4817000      0.5034000
  1 1 1      23   18    6 o    10.28000      0.3457000       10.88000 0.4691000       9.689000      0.5078000       1.186000      0.6914000
  1 1 1      23   18    7 f    13.55000      0.3545000       13.69000 0.4888000       13.41000      0.5136000      0.2777000      0.7090000
  1 1 1      23   18    8 o    16.10000      0.2585000       15.96000 0.3660000       16.24000      0.3652000     -0.2826000      0.5170000
  1 1 1      23   18    9 o    7.963000      0.2331000       7.991000 0.3482000       7.934000      0.3099000      0.5663000E-01  0.4661000
  1 1 1      23   18   10 o    4.711000      0.2906000       4.766000 0.4269000       4.656000      0.3944000      0.1092000      0.5812000
  1 1 1      23   18   11 o    4.152000      0.3278000       4.449000 0.4644000       3.855000      0.4628000      0.5934000      0.6556000
  1 1 1      23   18   12 o    5.391000      0.2560000       5.536000 0.3697000       5.247000      0.3542000      0.2893000      0.5120000
  1 1 1      23   18   13 o    13.93000      0.2287000       14.17000 0.3267000       13.70000      0.3202000      0.4698000      0.4574000
  1 1 1      23   18   14 o    12.05000      0.2099000       12.20000 0.2985000       11.91000      0.2953000      0.2830000      0.4199000
  1 1 1      23   18   15 o    2.024000      0.4407000       1.797000 0.6528000       2.251000      0.5923000     -0.4542000      0.8815000
  1 1 1      23   18   16 o    14.37000      0.2267000       14.23000 0.3166000       14.52000      0.3246000     -0.2947000      0.4534000
  1 1 1      23   18   17 o    2.953000      0.3607000       2.394000 0.5953000       3.512000      0.4074000      -1.118000      0.7214000
  1 1 1      23   18   18 o    2.493000      0.4203000       2.745000 0.5662000       2.242000      0.6214000      0.5032000      0.8406000
  1 1 1      23   18   19 o    11.87000      0.2068000       11.61000 0.2818000       12.13000      0.3027000     -0.5203000      0.4136000
  1 1 1      23   18   20 o    9.833000      0.2070000       9.993000 0.2742000       9.673000      0.3102000      0.3198000      0.4140000
  1 1 1      23   18   21 o    5.151000      0.2916000       4.964000 0.3686000       5.337000      0.4520000     -0.3732000      0.5832000
  1 1 1      23   18   22 o    3.119000      0.5225000       3.408000 0.6233000       2.830000      0.8388000      0.5779000       1.045000
  1 1 1      23   18   23 o    3.421000      0.5008000       3.408000 0.6670000       3.433000      0.7471000     -0.2539000E-01   1.002000
  1 1 1      23   18   24 o    3.609000      0.7006000       3.624000 1.183000       3.594000      0.7501000      0.2985000E-01   1.401000
  1 1 1      23   18   25 o    2.704000      0.5503000       2.093000 0.7341000       3.315000      0.8201000      -1.222000       1.101000
  1 1 1      23   18   26 o    2.878000      0.5178000       3.495000 0.5982000       2.262000      0.8454000       1.233000       1.036000
  1 1 1      23   18   27 o    3.427000      0.4882000       4.192000 0.4959000       2.661000      0.8411000       1.531000      0.9764000
  1 1 1      23   18   28 o    2.530000      0.5169000       1.865000 0.7419000       3.195000      0.7200000      -1.329000       1.034000
  1 1 1      23   19    0 o    7.226000      0.3486000       6.800000 0.3788000       7.652000      0.5853000     -0.8519000      0.6972000
  1 1 1      23   19    1 o    16.76000      0.2797000       16.78000 0.3987000       16.74000      0.3924000      0.3819000E-01  0.5594000
  1 1 1      23   19    2 o    5.269000      0.3338000       5.235000 0.5208000       5.304000      0.4178000     -0.6880000E-01  0.6677000
  1 1 1      23   19    3 o    5.753000      0.4517000       5.099000 0.7646000       6.406000      0.4811000      -1.307000      0.9034000
  1 1 1      23   19    4 o    13.86000      0.3469000       13.92000 0.5061000       13.80000      0.4746000      0.1215000      0.6938000
  1 1 1      23   19    5 o    4.517000      0.3631000       4.751000 0.5202000       4.283000      0.5067000      0.4684000      0.7262000
  1 1 1      23   19    6 o    2.190000      0.4854000       2.990000 0.7465000       1.391000      0.6206000       1.598000      0.9708000
  1 1 1      23   19    7 o    11.50000      0.2306000       11.87000 0.3345000       11.12000      0.3175000      0.7566000      0.4612000
  1 1 1      23   19    8 o    9.915000      0.3489000       10.16000 0.4760000       9.672000      0.5103000      0.4853000      0.6979000
  1 1 1      23   19    9 o    7.067000      0.3825000       6.949000 0.5109000       7.186000      0.5693000     -0.2368000      0.7649000
  1 1 1      23   19   10 o    5.349000      0.2807000       5.637000 0.4108000       5.061000      0.3827000      0.5758000      0.5615000
  1 1 1      23   19   11 o    2.929000      0.4502000       2.343000 0.7543000       3.515000      0.4918000      -1.172000      0.9005000
  1 1 1      23   19   12 o    3.252000      0.3941000       3.492000 0.5623000       3.013000      0.5522000      0.4794000      0.7881000
  1 1 1      23   19   13 o    17.39000      0.2643000       17.24000 0.3699000       17.54000      0.3775000     -0.2981000      0.5285000
  1 1 1      23   19   14 o    6.830000      0.2073000       7.193000 0.2990000       6.466000      0.2873000      0.7276000      0.4147000
  1 1 1      23   19   15 o    6.567000      0.2069000       6.589000 0.2950000       6.546000      0.2902000      0.4342000E-01  0.4137000
  1 1 1      23   19   16 o    4.106000      0.2679000       4.033000 0.4097000       4.179000      0.3453000     -0.1460000      0.5357000
  1 1 1      23   19   17 o    4.021000      0.2755000       4.320000 0.3754000       3.723000      0.4034000      0.5971000      0.5511000
  1 1 1      23   19   18 o    2.610000      0.4087000       1.821000 0.6599000       3.399000      0.4823000      -1.578000      0.8173000
  1 1 1      23   19   19 o    9.103000      0.2082000       8.743000 0.2798000       9.464000      0.3083000     -0.7209000      0.4163000
  1 1 1      23   19   20 o    3.816000      0.3717000       3.784000 0.4637000       3.848000      0.5811000     -0.6383000E-01  0.7435000
  1 1 1      23   19   21 o    3.067000      0.5105000       2.939000 0.6767000       3.195000      0.7647000     -0.2551000       1.021000
  1 1 1      23   19   22 o    6.613000      0.3104000       7.116000 0.3677000       6.110000      0.5002000       1.006000      0.6208000
  1 1 1      23   19   23 o    1.893000      0.5573000       1.759000 0.7251000       2.028000      0.8466000     -0.2682000       1.115000
  1 1 1      23   19   24 o    3.127000      0.5525000       3.647000 0.6322000       2.608000      0.9064000       1.039000       1.105000
  1 1 1      23   19   25 o    5.335000      0.4459000       6.187000 0.4249000       4.483000      0.7841000       1.703000      0.8918000
  1 1 1      23   19   26 o    3.216000      0.5721000       3.442000 0.7581000       2.990000      0.8569000      0.4525000       1.144000
  1 1 1      23   19   27 o    1.999000      0.5108000       2.601000 0.7713000       1.396000      0.6699000       1.205000       1.022000
  1 1 1      23   19   28 o    1.709000      0.5160000       1.594000 0.6914000       1.824000      0.7662000     -0.2301000       1.032000
  1 1 1      23   20    0 o    2.630000      0.5655000       2.071000 0.8342000       3.189000      0.7637000      -1.118000       1.131000
  1 1 1      23   20    1 o    12.39000      0.2572000       12.92000 0.3658000       11.85000      0.3615000       1.069000      0.5143000
  1 1 1      23   20    2 o    11.37000      0.2521000       11.51000 0.3642000       11.22000      0.3489000      0.2957000      0.5043000
  1 1 1      23   20    3 o    7.030000      0.2821000       6.949000 0.4169000       7.110000      0.3801000     -0.1604000      0.5642000
  1 1 1      23   20    4 o    7.538000      0.2611000       7.485000 0.3744000       7.591000      0.3639000     -0.1068000      0.5221000
  1 1 1      23   20    5 o    11.67000      0.3135000       11.85000 0.4645000       11.49000      0.4211000      0.3668000      0.6270000
  1 1 1      23   20    6 o    7.016000      0.3406000       7.885000 0.5072000       6.147000      0.4546000       1.738000      0.6811000
  1 1 1      23   20    7 o    5.311000      0.2961000       5.088000 0.4677000       5.533000      0.3632000     -0.4448000      0.5922000
  1 1 1      23   20    8 o    4.785000      0.3187000       4.834000 0.4748000       4.737000      0.4252000      0.9659000E-01  0.6374000
  1 1 1      23   20    9 o    4.578000      0.3291000       4.328000 0.5290000       4.828000      0.3918000     -0.5004000      0.6583000
  1 1 1      23   20   10 o    4.762000      0.5502000       5.364000 0.6188000       4.160000      0.9100000       1.205000       1.100000
  1 1 1      23   20   11 o    4.636000      0.5284000       4.206000 0.7363000       5.067000      0.7582000     -0.8607000       1.057000
  1 1 1      23   20   12 o    10.74000      0.3455000       11.32000 0.4484000       10.16000      0.5257000       1.153000      0.6909000
  1 1 1      23   20   13 o    8.520000      0.2091000       8.447000 0.2990000       8.592000      0.2922000     -0.1451000      0.4181000
  1 1 1      23   20   14 o    2.778000      0.4153000       3.093000 0.5647000       2.463000      0.6092000      0.6303000      0.8306000
  1 1 1      23   20   15 o    6.548000      0.2074000       6.399000 0.3000000       6.697000      0.2865000     -0.2973000      0.4148000
  1 1 1      23   20   16 o    3.648000      0.3059000       3.557000 0.4501000       3.740000      0.4145000     -0.1832000      0.6119000
  1 1 1      23   20   17 o    4.912000      0.2528000       4.925000 0.3457000       4.900000      0.3689000      0.2569000E-01  0.5056000
  1 1 1      23   20   18 o    4.849000      0.2630000       4.919000 0.3570000       4.780000      0.3864000      0.1391000      0.5260000
  1 1 1      23   20   19 o    3.890000      0.3978000       4.459000 0.4241000       3.320000      0.6730000       1.139000      0.7955000
  1 1 1      23   20   20 o    3.338000      0.4635000       3.623000 0.5319000       3.054000      0.7591000      0.5691000      0.9269000
  1 1 1      23   20   21 o    5.085000      0.3706000       5.199000 0.4485000       4.971000      0.5900000      0.2282000      0.7411000
  1 1 1      23   20   22 o    3.628000      0.5117000       3.371000 0.6727000       3.884000      0.7712000     -0.5129000       1.023000
  1 1 1      23   20   23 o    3.813000      0.5407000       4.618000 0.5204000       3.008000      0.9480000       1.610000       1.081000
  1 1 1      23   20   24 o    5.690000      0.3711000       5.469000 0.4727000       5.911000      0.5723000     -0.4421000      0.7423000
  1 1 1      23   20   25 f    6.295000      0.3832000       5.773000 0.4906000       6.818000      0.5888000      -1.045000      0.7664000
  1 1 1      23   20   26 o    5.707000      0.3844000       6.196000 0.4663000       5.218000      0.6112000      0.9788000      0.7688000
  1 1 1      23   20   27 o    3.934000      0.6423000       4.973000 0.5508000       2.895000       1.161000       2.078000       1.285000
  1 1 1      23   20   28 f    2.178000      0.6360000       2.524000 0.9733000       1.831000      0.8190000      0.6933000       1.272000
  1 1 1      23   21    0 o    6.931000      0.2898000       6.892000 0.4162000       6.970000      0.4035000     -0.7794000E-01  0.5797000
  1 1 1      23   21    1 o    13.45000      0.2604000       12.84000 0.3706000       14.07000      0.3659000      -1.228000      0.5207000
  1 1 1      23   21    2 o    6.716000      0.2837000       6.360000 0.4253000       7.071000      0.3755000     -0.7112000      0.5673000
  1 1 1      23   21    3 o    9.663000      0.2482000       9.300000 0.3649000       10.03000      0.3364000     -0.7255000      0.4963000
  1 1 1      23   21    4 o    7.825000      0.2576000       7.793000 0.3823000       7.858000      0.3455000     -0.6567000E-01  0.5153000
  1 1 1      23   21    5 o    14.76000      0.2567000       14.70000 0.3658000       14.82000      0.3601000     -0.1223000      0.5133000
  1 1 1      23   21    6 o    3.577000      0.4548000       3.305000 0.7665000       3.849000      0.4896000     -0.5436000      0.9095000
  1 1 1      23   21    7 o    3.264000      0.5538000       4.061000 0.8075000       2.467000      0.7581000       1.594000       1.108000
  1 1 1      23   21    8 o    2.472000      0.5953000       2.711000 0.9109000       2.233000      0.7666000      0.4785000       1.191000
  1 1 1      23   21    9 o    3.437000      0.4954000       3.246000 0.8762000       3.628000      0.4626000     -0.3815000      0.9908000
  1 1 1      23   21   10 o    3.248000      0.4366000       2.879000 0.7129000       3.618000      0.5042000     -0.7386000      0.8732000
  1 1 1      23   21   11 o    3.862000      0.3376000       3.839000 0.5092000       3.884000      0.4435000     -0.4492000E-01  0.6752000
  1 1 1      23   21   12 o    5.274000      0.2554000       5.326000 0.3767000       5.222000      0.3448000      0.1037000      0.5107000
  1 1 1      23   21   13 o    5.721000      0.4852000       6.505000 0.5174000       4.937000      0.8210000       1.568000      0.9704000
  1 1 1      23   21   14 o    2.069000      0.6175000       1.936000 0.8052000       2.202000      0.9363000     -0.2663000       1.235000
  1 1 1      23   21   15 o    6.251000      0.3986000       5.813000 0.5117000       6.689000      0.6112000     -0.8765000      0.7971000
  1 1 1      23   21   16 o    2.700000      0.5372000       3.735000 0.7360000       1.665000      0.7829000       2.070000       1.074000
  1 1 1      23   21   17 o    2.227000      0.4729000       1.731000 0.6671000       2.723000      0.6703000     -0.9916000      0.9457000
  1 1 1      23   21   18 o    3.410000      0.4328000       3.894000 0.4828000       2.925000      0.7184000      0.9684000      0.8656000
  1 1 1      23   21   19 o    2.052000      0.5200000       1.500000 0.6589000       2.604000      0.8045000      -1.104000       1.040000
  1 1 1      23   21   20 o    4.385000      0.4261000       4.526000 0.5119000       4.244000      0.6814000      0.2824000      0.8523000
  1 1 1      23   21   21 o    2.605000      0.5661000       1.827000 0.7574000       3.383000      0.8416000      -1.556000       1.132000
  1 1 1      23   21   22 o    5.306000      0.4004000       5.272000 0.4947000       5.340000      0.6297000     -0.6856000E-01  0.8008000
  1 1 1      23   21   23 o    5.459000      0.4007000       5.805000 0.4430000       5.112000      0.6678000      0.6934000      0.8014000
  1 1 1      23   21   24 o    4.798000      0.5281000       5.875000 0.5134000       3.721000      0.9231000       2.153000       1.056000
  1 1 1      23   21   25 o    5.163000      0.4854000       6.197000 0.4673000       4.128000      0.8509000       2.069000      0.9708000
  1 1 1      23   21   26 o    2.168000      0.6186000       2.105000 0.8471000       2.232000      0.9016000     -0.1266000       1.237000
  1 1 1      23   21   27 o    4.240000      0.6640000       4.240000 0.6640000                  ?              ?              ?              ?
  1 1 1      23   22    0 o    8.165000      0.2765000       7.852000 0.4016000       8.479000      0.3802000     -0.6278000      0.5530000
  1 1 1      23   22    1 o    8.674000      0.3569000                  ?       ?   8.674000      0.3569000                  ?              ?
  1 1 1      23   22    2 o    7.577000      0.2732000       7.341000 0.4087000       7.813000      0.3627000     -0.4714000      0.5465000
  1 1 1      23   22    3 o    8.518000      0.2535000       8.534000 0.3662000       8.503000      0.3507000      0.3074000E-01  0.5071000
  1 1 1      23   22    4 o    7.360000      0.2649000       6.705000 0.4127000       8.015000      0.3322000      -1.311000      0.5298000
  1 1 1      23   22    5 o    2.218000      0.5187000       1.928000 0.7820000       2.508000      0.6816000     -0.5804000       1.037000
  1 1 1      23   22    6 o    6.507000      0.2994000       6.152000 0.4492000       6.863000      0.3960000     -0.7116000      0.5988000
  1 1 1      23   22    7 o    4.202000      0.3707000       3.801000 0.5911000       4.603000      0.4477000     -0.8016000      0.7415000
  1 1 1      23   22    8 o    2.451000      0.5266000       2.413000 0.7809000       2.489000      0.7067000     -0.7538000E-01   1.053000
  1 1 1      23   22    9 o    3.485000      0.4369000       3.189000 0.6786000       3.780000      0.5504000     -0.5909000      0.8737000
  1 1 1      23   22   10 o    6.459000      0.3001000       6.716000 0.4600000       6.202000      0.3856000      0.5138000      0.6002000
  1 1 1      23   22   11 o    5.048000      0.3487000       5.042000 0.5571000       5.054000      0.4195000     -0.1232000E-01  0.6974000
  1 1 1      23   22   12 o    9.672000      0.2687000       9.608000 0.4053000       9.735000      0.3530000     -0.1272000      0.5375000
  1 1 1      23   22   13 o    6.039000      0.2342000       6.041000 0.3418000       6.038000      0.3202000      0.3198000E-02  0.4684000
  1 1 1      23   22   14 o    7.323000      0.2132000       7.378000 0.3081000       7.269000      0.2946000      0.1091000      0.4263000
  1 1 1      23   22   15 o    2.486000      0.4644000       2.800000 0.6265000       2.172000      0.6856000      0.6281000      0.9287000
  1 1 1      23   22   16 o    2.979000      0.4362000       2.771000 0.6429000       3.186000      0.5898000     -0.4148000      0.8724000
  1 1 1      23   22   17 o    4.562000      0.2852000       4.689000 0.3654000       4.435000      0.4379000      0.2536000      0.5703000
  1 1 1      23   22   18 o    2.831000      0.6506000       2.070000 0.8560000       3.593000      0.9799000      -1.523000       1.301000
  1 1 1      23   22   19 o    2.043000      0.6183000       2.117000 0.8574000       1.969000      0.8910000      0.1479000       1.237000
  1 1 1      23   22   20 o    4.403000      0.5871000       5.190000 0.5862000       3.617000       1.017000       1.573000       1.174000
  1 1 1      23   22   21 o    5.255000      0.4950000       5.373000 0.5713000       5.136000      0.8084000      0.2375000      0.9900000
  1 1 1      23   22   22 o    7.646000      0.3966000       8.435000 0.4482000       6.858000      0.6545000       1.577000      0.7932000
  1 1 1      23   22   23 o    6.639000      0.4336000       6.698000 0.5312000       6.580000      0.6856000      0.1181000      0.8673000
  1 1 1      23   22   24 o    5.869000      0.4900000       6.297000 0.5740000       5.441000      0.7942000      0.8559000      0.9799000
  1 1 1      23   22   25 o    2.168000      0.6181000       2.002000 0.8175000       2.334000      0.9274000     -0.3320000       1.236000
  1 1 1      23   22   26 o    3.582000      0.6822000       3.660000 0.9236000       3.504000       1.004000      0.1566000       1.364000
  1 1 1      23   22   27 o    3.510000      0.8921000                  ?       ?   3.510000      0.8921000                  ?              ?
  1 1 1      23   23    0 o    6.314000      0.3204000       6.390000 0.4752000       6.239000      0.4299000      0.1515000      0.6408000
  1 1 1      23   23    1 o    5.502000      0.4445000                  ?       ?   5.502000      0.4445000                  ?              ?
  1 1 1      23   23    2 o    12.44000      0.2559000       12.52000 0.3696000       12.37000      0.3539000      0.1519000      0.5117000
  1 1 1      23   23    3 o    7.776000      0.2603000       7.720000 0.3761000       7.832000      0.3600000     -0.1120000      0.5206000
  1 1 1      23   23    4 o    6.939000      0.2622000       6.949000 0.3884000       6.929000      0.3522000      0.1959000E-01  0.5243000
  1 1 1      23   23    5 o    4.113000      0.3838000       4.659000 0.5350000       3.566000      0.5504000       1.093000      0.7675000
  1 1 1      23   23    6 o    3.073000      0.4874000       2.437000 0.8094000       3.710000      0.5432000      -1.273000      0.9748000
  1 1 1      23   23    7 o    10.31000      0.2322000       10.07000 0.3373000       10.54000      0.3193000     -0.4616000      0.4645000
  1 1 1      23   23    8 o    7.892000      0.2383000       7.691000 0.3496000       8.092000      0.3240000     -0.4010000      0.4766000
  1 1 1      23   23    9 o    4.620000      0.3157000       4.998000 0.4314000       4.243000      0.4610000      0.7549000      0.6314000
  1 1 1      23   23   10 f    11.12000      0.2250000       11.20000 0.3173000       11.04000      0.3190000      0.1528000      0.4499000
  1 1 1      23   23   11 o    2.247000      0.4922000       2.159000 0.7271000       2.336000      0.6637000     -0.1766000      0.9844000
  1 1 1      23   23   12 o    8.334000      0.2204000       8.258000 0.3148000       8.410000      0.3085000     -0.1525000      0.4408000
  1 1 1      23   23   13 o    10.42000      0.2676000       10.12000 0.3954000       10.71000      0.3608000     -0.5916000      0.5352000
  1 1 1      23   23   14 o    6.225000      0.3000000       6.029000 0.4685000       6.421000      0.3747000     -0.3919000      0.5999000
  1 1 1      23   23   15 o    7.135000      0.2895000       7.239000 0.4251000       7.030000      0.3930000      0.2091000      0.5789000
  1 1 1      23   23   16 o    7.521000      0.2868000       7.830000 0.4101000       7.212000      0.4012000      0.6178000      0.5737000
  1 1 1      23   23   17 o    4.056000      0.4495000       4.520000 0.6626000       3.591000      0.6074000      0.9299000      0.8989000
  1 1 1      23   23   18 o    2.555000      0.5473000       3.002000 0.7246000       2.107000      0.8204000      0.8953000       1.095000
  1 1 1      23   23   19 o    1.844000      0.5492000       1.656000 0.7225000       2.031000      0.8273000     -0.3751000       1.098000
  1 1 1      23   23   20 o    2.646000      0.6207000       2.495000 0.8308000       2.796000      0.9223000     -0.3007000       1.241000
  1 1 1      23   23   21 o    2.517000      0.6285000       2.221000 0.8393000       2.813000      0.9357000     -0.5915000       1.257000
  1 1 1      23   23   22 o    2.745000      0.6528000       2.972000 0.8590000       2.517000      0.9831000      0.4552000       1.306000
  1 1 1      23   23   23 o    4.629000      0.5391000       4.206000 0.7231000       5.052000      0.7998000     -0.8467000       1.078000
  1 1 1      23   23   24 o    1.724000      0.5617000       1.593000 0.7381000       1.854000      0.8468000     -0.2617000       1.123000
  1 1 1      23   23   25 o    3.782000      0.5987000       4.584000 0.6641000       2.980000      0.9963000       1.604000       1.197000
  1 1 1      23   23   26 o    2.841000      0.6742000       3.010000 0.9250000       2.673000      0.9810000      0.3378000       1.348000
  1 1 1      23   24    0 o    5.350000      0.3710000       4.862000 0.5942000       5.837000      0.4442000     -0.9757000      0.7419000
  1 1 1      23   24    1 o    3.732000      0.4524000       3.506000 0.7009000       3.959000      0.5722000     -0.4530000      0.9048000
  1 1 1      23   24    2 o    5.764000      0.3334000       5.837000 0.5097000       5.690000      0.4300000      0.1473000      0.6669000
  1 1 1      23   24    3 o    5.725000      0.3225000       5.721000 0.4969000       5.728000      0.4112000     -0.6555000E-02  0.6450000
  1 1 1      23   24    4 o    3.705000      0.4767000       3.696000 0.7469000       3.713000      0.5926000     -0.1666000E-01  0.9534000
  1 1 1      23   24    5 o    5.238000      0.3295000       5.507000 0.4797000       4.970000      0.4519000      0.5365000      0.6590000
  1 1 1      23   24    6 o    4.164000      0.3898000       3.984000 0.5989000       4.343000      0.4990000     -0.3582000      0.7795000
  1 1 1      23   24    7 o    6.091000      0.2853000       5.898000 0.4249000       6.285000      0.3808000     -0.3870000      0.5705000
  1 1 1      23   24    8 o    7.232000      0.2494000       7.320000 0.3585000       7.144000      0.3468000      0.1762000      0.4988000
  1 1 1      23   24    9 o    1.813000      0.4955000       2.016000 0.7464000       1.611000      0.6519000      0.4049000      0.9910000
  1 1 1      23   24   10 o    3.389000      0.4041000       3.400000 0.6082000       3.379000      0.5321000      0.2129000E-01  0.8081000
  1 1 1      23   24   11 o    7.945000      0.2252000       7.887000 0.3233000       8.003000      0.3137000     -0.1162000      0.4504000
  1 1 1      23   24   12 o    2.324000      0.4919000       2.052000 0.7301000       2.596000      0.6596000     -0.5445000      0.9839000
  1 1 1      23   24   13 o    2.541000      0.4691000       2.030000 0.7160000       3.053000      0.6062000      -1.022000      0.9382000
  1 1 1      23   24   14 o    4.946000      0.3074000       4.921000 0.4306000       4.972000      0.4388000     -0.5108000E-01  0.6147000
  1 1 1      23   24   15 o    2.848000      0.4800000       3.128000 0.6435000       2.568000      0.7123000      0.5601000      0.9599000
  1 1 1      23   24   16 f    4.195000      0.3755000       3.909000 0.5368000       4.480000      0.5251000     -0.5716000      0.7509000
  1 1 1      23   24   17 o    8.768000      0.2580000       9.177000 0.3280000       8.360000      0.3984000      0.8172000      0.5160000
  1 1 1      23   24   18 o    1.820000      0.5453000       1.776000 0.7447000       1.863000      0.7969000     -0.8700000E-01   1.091000
  1 1 1      23   24   19 o    3.675000      0.7067000       5.088000 0.9999000       2.263000      0.9990000       2.825000       1.413000
  1 1 1      23   24   20 o    3.577000      0.8802000       3.675000 1.263000       3.480000       1.227000      0.1943000       1.760000
  1 1 1      23   24   21 o    3.592000      0.8784000       4.512000 1.289000       2.672000       1.194000       1.840000       1.757000
  1 1 1      23   24   22 o    3.649000      0.9242000       4.429000 1.317000       2.869000       1.297000       1.560000       1.848000
  1 1 1      23   24   23 o    2.968000      0.8871000       3.305000 1.288000       2.632000       1.220000      0.6732000       1.774000
  1 1 1      23   24   24 o    4.061000      0.9968000       4.063000 1.360000       4.058000       1.458000      0.4514000E-02   1.994000
  1 1 1      23   24   25 o    3.300000      0.9412000       3.524000 1.349000       3.075000       1.313000      0.4493000       1.882000
  1 1 1      23   25    0 o    2.721000      0.5596000       2.138000 0.8326000       3.303000      0.7478000      -1.165000       1.119000
  1 1 1      23   25    1 o    6.297000      0.4233000       5.585000 0.7491000       7.009000      0.3946000      -1.424000      0.8467000
  1 1 1      23   25    2 o    5.277000      0.3709000       5.116000 0.5662000       5.438000      0.4793000     -0.3210000      0.7418000
  1 1 1      23   25    3 o    4.537000      0.3987000       4.810000 0.5958000       4.264000      0.5301000      0.5465000      0.7975000
  1 1 1      23   25    4 o    4.844000      0.3531000       4.923000 0.5066000       4.764000      0.4920000      0.1583000      0.7062000
  1 1 1      23   25    5 o    4.747000      0.3488000       5.090000 0.4732000       4.404000      0.5127000      0.6857000      0.6977000
  1 1 1      23   25    6 o    3.565000      0.4606000       3.585000 0.6946000       3.546000      0.6052000      0.3843000E-01  0.9213000
  1 1 1      23   25    7 o    1.564000      0.4764000       1.536000 0.6914000       1.592000      0.6554000     -0.5654000E-01  0.9527000
  1 1 1      23   25    8 o    6.565000      0.2516000       6.657000 0.3735000       6.474000      0.3373000      0.1829000      0.5033000
  1 1 1      23   25    9 f    5.111000      0.3016000       4.828000 0.4696000       5.393000      0.3787000     -0.5651000      0.6033000
  1 1 1      23   25   10 o    1.542000      0.4692000       1.607000 0.6872000       1.476000      0.6391000      0.1312000      0.9385000
  1 1 1      23   25   11 o    2.384000      0.5209000       2.463000 0.7529000       2.305000      0.7199000      0.1579000       1.042000
  1 1 1      23   25   12 o    2.065000      0.5074000       1.890000 0.7336000       2.239000      0.7012000     -0.3494000       1.015000
  1 1 1      23   25   13 o    4.888000      0.3210000       4.838000 0.4514000       4.939000      0.4566000     -0.1016000      0.6421000
  1 1 1      23   25   14 o    4.960000      0.3193000       4.881000 0.4485000       5.040000      0.4546000     -0.1588000      0.6386000
  1 1 1      23   25   15 o    2.152000      0.5416000       2.186000 0.7532000       2.118000      0.7785000      0.6780000E-01   1.083000
  1 1 1      23   25   16 o    7.316000      0.2718000       7.395000 0.3579000       7.237000      0.4092000      0.1576000      0.5436000
  1 1 1      23   25   17 o    3.767000      0.5052000       3.808000 0.6350000       3.726000      0.7858000      0.8243000E-01   1.010000
  1 1 1      23   25   18 o    4.168000      0.4706000       3.892000 0.6558000       4.445000      0.6750000     -0.5537000      0.9411000
  1 1 1      23   25   19 o    3.656000      0.5770000       3.253000 0.8019000       4.060000      0.8300000     -0.8074000       1.154000
  1 1 1      23   25   20 o    2.800000      0.6526000       2.830000 0.8641000       2.770000      0.9782000      0.5979000E-01   1.305000
  1 1 1      23   25   21 o    2.433000      0.6745000       2.065000 0.8675000       2.801000       1.033000     -0.7352000       1.349000
  1 1 1      23   25   22 o    1.756000      0.5682000       1.979000 0.8542000       1.533000      0.7496000      0.4455000       1.136000
  1 1 1      23   25   23 o    2.970000      0.6917000       2.845000 0.9142000       3.094000       1.038000     -0.2493000       1.383000
  1 1 1      23   25   24 o    2.046000      0.6242000       2.333000 0.9363000       1.759000      0.8258000      0.5735000       1.248000
  1 1 1      23   25   25 o    2.784000       1.081000                  ?       ?   2.784000       1.081000                  ?              ?
  1 1 1      23   26    0 o    3.329000      0.5557000       3.056000 0.8803000       3.601000      0.6785000     -0.5448000       1.111000
  1 1 1      23   26    1 o    6.340000      0.3326000       5.984000 0.5037000       6.695000      0.4343000     -0.7105000      0.6651000
  1 1 1      23   26    2 f    4.981000      0.3903000       4.877000 0.6074000       5.084000      0.4903000     -0.2068000      0.7806000
  1 1 1      23   26    3 f    6.683000      0.2936000       6.854000 0.4267000       6.513000      0.4034000      0.3405000      0.5872000
  1 1 1      23   26    4 o    5.404000      0.3432000       5.184000 0.5431000       5.624000      0.4197000     -0.4399000      0.6864000
  1 1 1      23   26    5 o    6.768000      0.2803000       6.774000 0.4040000       6.762000      0.3887000      0.1201000E-01  0.5607000
  1 1 1      23   26    6 o    2.276000      0.5179000       2.895000 0.7660000       1.656000      0.6973000       1.239000       1.036000
  1 1 1      23   26    7 o    4.727000      0.3382000       4.665000 0.5094000       4.790000      0.4449000     -0.1253000      0.6763000
  1 1 1      23   26    8 o    1.647000      0.4811000       1.656000 0.7040000       1.639000      0.6560000      0.1677000E-01  0.9623000
  1 1 1      23   26    9 o    3.420000      0.4421000       3.183000 0.6805000       3.656000      0.5646000     -0.4730000      0.8843000
  1 1 1      23   26   10 o    3.026000      0.4832000       3.036000 0.6968000       3.016000      0.6698000      0.2036000E-01  0.9665000
  1 1 1      23   26   11 o    6.018000      0.2761000       6.130000 0.3886000       5.907000      0.3923000      0.2237000      0.5522000
  1 1 1      23   26   12 o    1.948000      0.5264000       1.845000 0.7367000       2.050000      0.7522000     -0.2056000       1.053000
  1 1 1      23   26   13 o    5.178000      0.3122000       5.167000 0.4508000       5.189000      0.4320000     -0.2260000E-01  0.6244000
  1 1 1      23   26   14 o    3.598000      0.4483000       3.208000 0.6786000       3.989000      0.5861000     -0.7802000      0.8966000
  1 1 1      23   26   15 o    4.143000      0.4434000       4.513000 0.5103000       3.773000      0.7253000      0.7396000      0.8869000
  1 1 1      23   26   16 o    4.602000      0.4304000       4.838000 0.5176000       4.365000      0.6878000      0.4728000      0.8608000
  1 1 1      23   26   17 o    3.490000      0.5260000       2.678000 0.7831000       4.301000      0.7024000      -1.623000       1.052000
  1 1 1      23   26   18 o    4.196000      0.5273000       4.189000 0.6434000       4.202000      0.8357000     -0.1226000E-01   1.055000
  1 1 1      23   26   19 o    2.622000      0.6630000       2.608000 0.8785000       2.635000      0.9932000     -0.2763000E-01   1.326000
  1 1 1      23   26   20 o    2.298000      0.6577000       2.352000 0.9134000       2.244000      0.9465000      0.1077000       1.315000
  1 1 1      23   26   21 o    2.359000      0.6573000       1.708000 0.7898000       3.010000       1.051000      -1.303000       1.315000
  1 1 1      23   26   22 o    3.690000      0.6723000       3.786000 0.8640000       3.594000       1.030000      0.1917000       1.345000
  1 1 1      23   26   23 o    2.156000      0.6474000       1.710000 0.7901000       2.602000       1.026000     -0.8928000       1.295000
  1 1 1      23   26   24 o    2.201000      0.6675000       2.123000 0.9080000       2.280000      0.9785000     -0.1564000       1.335000
  1 1 1      23   27    0 o    7.025000      0.4719000       7.025000 0.4719000                  ?              ?              ?              ?
  1 1 1      23   27    1 o    6.164000      0.3491000       5.856000 0.5355000       6.472000      0.4479000     -0.6166000      0.6981000
  1 1 1      23   27    2 o    6.407000      0.4392000                  ?       ?   6.407000      0.4392000                  ?              ?
  1 1 1      23   27    3 f    7.086000      0.2987000       6.919000 0.4430000       7.253000      0.4008000     -0.3342000      0.5974000
  1 1 1      23   27    4 o    7.144000      0.2891000       6.979000 0.4412000       7.309000      0.3738000     -0.3295000      0.5783000
  1 1 1      23   27    5 o    4.980000      0.3550000       4.632000 0.5703000       5.328000      0.4230000     -0.6962000      0.7101000
  1 1 1      23   27    6 o    2.234000      0.5425000       2.027000 0.7797000       2.442000      0.7546000     -0.4149000       1.085000
  1 1 1      23   27    7 o    1.594000      0.4906000       1.751000 0.7485000       1.438000      0.6345000      0.3128000      0.9812000
  1 1 1      23   27    8 o    3.424000      0.4871000       2.807000 0.8182000       4.040000      0.5288000      -1.233000      0.9742000
  1 1 1      23   27    9 o    1.972000      0.4927000       1.430000 0.6661000       2.513000      0.7262000      -1.083000      0.9854000
  1 1 1      23   27   10 o    5.591000      0.3090000       5.252000 0.4788000       5.930000      0.3906000     -0.6771000      0.6179000
  1 1 1      23   27   11 o    5.391000      0.3218000       5.011000 0.4943000       5.770000      0.4123000     -0.7587000      0.6437000
  1 1 1      23   27   12 o    7.075000      0.2718000       7.349000 0.3618000       6.802000      0.4058000      0.5472000      0.5436000
  1 1 1      23   27   13 o    3.880000      0.4428000       3.264000 0.6812000       4.497000      0.5659000      -1.233000      0.8857000
  1 1 1      23   27   14 o    3.218000      0.5485000       2.964000 0.7685000       3.473000      0.7829000     -0.5092000       1.097000
  1 1 1      23   27   15 o    6.484000      0.3218000       6.791000 0.4007000       6.177000      0.5036000      0.6140000      0.6435000
  1 1 1      23   27   16 o    3.106000      0.5813000       3.499000 0.7116000       2.713000      0.9193000      0.7854000       1.163000
  1 1 1      23   27   17 f    2.371000      0.6971000       2.493000 1.055000       2.248000      0.9120000      0.2452000       1.394000
  1 1 1      23   27   18 o    2.657000      0.6807000       2.350000 0.8818000       2.964000       1.037000     -0.6149000       1.361000
  1 1 1      23   27   19 o    2.528000      0.6859000       2.584000 0.9417000       2.473000      0.9974000      0.1111000       1.372000
  1 1 1      23   27   20 o    3.301000      0.6989000       2.870000 0.9313000       3.733000       1.042000     -0.8636000       1.398000
  1 1 1      23   27   21 o    3.083000      0.7009000       2.955000 0.9219000       3.212000       1.056000     -0.2572000       1.402000
  1 1 1      23   27   22 o    2.228000      0.6527000       2.435000 0.9336000       2.021000      0.9123000      0.4143000       1.305000
  1 1 1      23   27   23 o    3.817000      0.6818000       4.329000 0.8375000       3.306000       1.076000       1.023000       1.364000
  1 1 1      23   28    0 o    5.385000      0.7456000       5.385000 0.7456000                  ?              ?              ?              ?
  1 1 1      23   28    1 o    2.486000      0.7163000       2.604000 0.9792000       2.368000       1.046000      0.2365000       1.433000
  1 1 1      23   28    2 o    1.805000      0.8835000                  ?       ?   1.805000      0.8835000                  ?              ?
  1 1 1      23   28    3 o    2.609000      0.6012000       2.638000 0.8677000       2.580000      0.8325000      0.5823000E-01   1.202000
  1 1 1      23   28    4 o    2.480000      0.5666000       2.531000 0.8420000       2.428000      0.7583000      0.1026000       1.133000
  1 1 1      23   28    5 o    2.075000      0.5504000       1.980000 0.7860000       2.169000      0.7706000     -0.1890000       1.101000
  1 1 1      23   28    6 o    4.523000      0.4086000       3.840000 0.6693000       5.206000      0.4689000      -1.366000      0.8172000
  1 1 1      23   28    7 o    6.337000      0.2983000       5.912000 0.4455000       6.762000      0.3968000     -0.8499000      0.5966000
  1 1 1      23   28    8 o    6.593000      0.2892000       5.959000 0.4467000       7.228000      0.3676000      -1.269000      0.5785000
  1 1 1      23   28    9 o    3.065000      0.5141000       2.420000 0.8052000       3.709000      0.6393000      -1.290000       1.028000
  1 1 1      23   28   10 o    3.789000      0.4687000       2.888000 0.7804000       4.691000      0.5192000      -1.803000      0.9373000
  1 1 1      23   28   11 o    5.654000      0.3376000       5.295000 0.5004000       6.013000      0.4532000     -0.7180000      0.6751000
  1 1 1      23   28   12 f    6.230000      0.3190000       6.005000 0.4513000       6.455000      0.4510000     -0.4504000      0.6380000
  1 1 1      23   28   13 o    6.943000      0.3047000       6.591000 0.4225000       7.294000      0.4392000     -0.7031000      0.6095000
  1 1 1      23   28   14 o    1.855000      0.5601000       1.880000 0.7798000       1.830000      0.8041000      0.5056000E-01   1.120000
  1 1 1      23   28   15 o    2.758000      0.6291000       2.773000 0.8443000       2.743000      0.9328000      0.2971000E-01   1.258000
  1 1 1      23   28   16 o    3.266000      0.6224000       3.258000 0.8152000       3.274000      0.9406000     -0.1581000E-01   1.245000
  1 1 1      23   28   17 o    3.639000      0.6304000       4.136000 0.7726000       3.142000      0.9963000      0.9937000       1.261000
  1 1 1      23   28   18 o    1.983000      0.6228000       1.842000 0.8297000       2.124000      0.9290000     -0.2824000       1.246000
  1 1 1      23   28   19 o    2.730000      0.7012000       2.402000 0.9421000       3.057000       1.039000     -0.6551000       1.402000
  1 1 1      23   28   20 o    2.310000      0.6516000       2.612000 0.9279000       2.007000      0.9151000      0.6044000       1.303000
  1 1 1      23   28   21 f    4.519000      0.6382000       4.784000 0.7274000       4.255000       1.049000      0.5285000       1.276000
  1 1 1      23   28   22 o    3.066000      0.7222000       3.530000 0.9850000       2.602000       1.057000      0.9275000       1.444000
  1 1 1      23   29    0 o    5.993000      0.3787000       6.271000 0.5312000       5.715000      0.5399000      0.5557000      0.7574000
  1 1 1      23   29    1 o    2.695000      0.6203000       2.816000 0.9324000       2.574000      0.8185000      0.2422000       1.241000
  1 1 1      23   29    2 o    2.677000      0.7005000       1.421000 0.6761000       3.932000       1.227000      -2.511000       1.401000
  1 1 1      23   29    3 o    4.176000      0.5843000       3.334000 1.081000       5.018000      0.4449000      -1.684000       1.169000
  1 1 1      23   29    4 o    4.164000      0.7378000       3.544000 1.027000       4.783000       1.060000      -1.238000       1.476000
  1 1 1      23   29    5 o    2.882000      0.7308000       2.096000 0.9086000       3.667000       1.145000      -1.571000       1.462000
  1 1 1      23   29    6 o    4.135000      0.6838000       4.993000 0.7417000       3.278000       1.149000       1.714000       1.368000
  1 1 1      23   29    7 o    3.642000      0.5073000       3.092000 0.8148000       4.193000      0.6046000      -1.101000       1.015000
  1 1 1      23   29    8 o    1.803000      0.5429000       1.838000 0.7819000       1.767000      0.7533000      0.7116000E-01   1.086000
  1 1 1      23   29    9 o    4.543000      0.4101000       4.458000 0.6084000       4.628000      0.5500000     -0.1705000      0.8201000
  1 1 1      23   29   10 o    2.686000      0.5137000       1.690000 0.7443000       3.682000      0.7081000      -1.992000       1.027000
  1 1 1      23   29   11 o    2.024000      0.5415000       2.532000 0.8198000       1.515000      0.7077000       1.017000       1.083000
  1 1 1      23   29   12 o    4.393000      0.4657000       5.049000 0.5103000       3.737000      0.7790000       1.313000      0.9313000
  1 1 1      23   29   13 o    2.502000      0.6158000       1.975000 0.8095000       3.029000      0.9281000      -1.053000       1.232000
  1 1 1      23   29   14 o    2.356000      0.6417000       2.203000 0.8641000       2.510000      0.9489000     -0.3074000       1.283000
  1 1 1      23   29   15 o    1.678000      0.5501000       1.642000 0.7601000       1.713000      0.7954000     -0.7100000E-01   1.100000
  1 1 1      23   29   16 o    2.814000      0.6465000       3.536000 0.9306000       2.092000      0.8976000       1.444000       1.293000
  1 1 1      23   29   17 o    2.153000      0.6395000       2.524000 0.9635000       1.782000      0.8412000      0.7423000       1.279000
  1 1 1      23   29   18 o    3.070000      0.6294000       4.156000 0.8816000       1.984000      0.8986000       2.172000       1.259000
  1 1 1      23   29   19 o    3.381000      0.6779000       4.013000 0.8727000       2.749000       1.038000       1.264000       1.356000
  1 1 1      23   29   20 o    2.709000      0.7264000       2.954000 1.019000       2.464000       1.036000      0.4894000       1.453000
  1 1 1      23   29   21 o    2.948000      0.7148000       2.185000 0.9321000       3.710000       1.084000      -1.524000       1.430000
  1 1 1      23   30    0 o    3.002000      0.7293000       3.605000 1.133000       2.399000      0.9185000       1.205000       1.459000
  1 1 1      23   30    1 o    2.765000      0.7095000       2.788000 1.083000       2.742000      0.9167000      0.4626000E-01   1.419000
  1 1 1      23   30    2 o    2.881000      0.6326000       2.459000 1.020000       3.302000      0.7488000     -0.8427000       1.265000
  1 1 1      23   30    3 o    2.462000      0.5855000       2.561000 0.8289000       2.362000      0.8272000      0.1995000       1.171000
  1 1 1      23   30    4 o    2.063000      0.5759000       2.182000 0.8560000       1.943000      0.7706000      0.2395000       1.152000
  1 1 1      23   30    5 o    3.623000      0.5135000       2.784000 0.8781000       4.462000      0.5325000      -1.678000       1.027000
  1 1 1      23   30    6 o    1.897000      0.5638000       1.807000 0.7909000       1.986000      0.8038000     -0.1794000       1.128000
  1 1 1      23   30    7 o    1.808000      0.5341000       1.812000 0.7654000       1.804000      0.7453000      0.7896000E-02   1.068000
  1 1 1      23   30    8 o    3.271000      0.7736000       3.392000 0.9956000       3.150000       1.184000      0.2426000       1.547000
  1 1 1      23   30    9 o    2.820000      0.7772000       2.667000 0.9769000       2.974000       1.209000     -0.3075000       1.554000
  1 1 1      23   30   10 f    2.926000      0.7904000       2.472000 0.9455000       3.380000       1.267000     -0.9083000       1.581000
  1 1 1      23   30   11 o    2.913000      0.7913000       2.364000 0.9450000       3.462000       1.269000      -1.097000       1.583000
  1 1 1      23   30   12 o    3.183000      0.7177000       3.314000 0.7531000       3.051000       1.222000      0.2632000       1.435000
  1 1 1      23   30   13 o    3.035000      0.6678000       3.345000 0.9101000       2.726000      0.9775000      0.6192000       1.336000
  1 1 1      23   30   14 o    3.420000      0.6891000       3.387000 0.9918000       3.453000      0.9570000     -0.6590000E-01   1.378000
  1 1 1      23   30   15 o    5.732000      0.4508000       5.936000 0.6360000       5.528000      0.6391000      0.4083000      0.9016000
  1 1 1      23   30   16 o    3.792000      0.6826000       3.995000 0.9104000       3.588000       1.017000      0.4076000       1.365000
  1 1 1      23   30   17 o    3.223000      0.6627000       2.254000 0.9331000       4.192000      0.9413000      -1.938000       1.325000
  1 1 1      23   30   18 o    1.907000      0.6152000       1.905000 0.8573000       1.910000      0.8827000     -0.5054000E-02   1.230000
  1 1 1      23   30   19 o    2.805000      0.7004000       1.886000 0.8529000       3.725000       1.111000      -1.839000       1.401000
  1 1 1      23   30   20 o    3.220000       1.164000                  ?       ?   3.220000       1.164000                  ?              ?
  1 1 1      23   31    0 o    3.404000      0.5936000       3.309000 0.8726000       3.499000      0.8050000     -0.1899000       1.187000
  1 1 1      23   31    1 o    4.352000      0.5001000       4.635000 0.6608000       4.069000      0.7508000      0.5661000       1.000000
  1 1 1      23   31    2 o    1.853000      0.5613000       2.279000 0.8978000       1.428000      0.6737000      0.8514000       1.123000
  1 1 1      23   31    3 f    2.891000      0.5639000       2.165000 0.8865000       3.618000      0.6971000      -1.453000       1.128000
  1 1 1      23   31    4 o    3.102000      0.7262000       3.274000 1.115000       2.930000      0.9307000      0.3433000       1.452000
  1 1 1      23   31    5 o    2.573000      0.6942000       2.620000 1.048000       2.526000      0.9106000      0.9381000E-01   1.388000
  1 1 1      23   31    6 o    2.366000      0.6606000       2.387000 0.9996000       2.344000      0.8639000      0.4247000E-01   1.321000
  1 1 1      23   31    7 o    2.314000      0.6247000       2.082000 0.9181000       2.546000      0.8475000     -0.4635000       1.249000
  1 1 1      23   31    8 o    1.997000      0.5568000       1.437000 0.6892000       2.556000      0.8747000      -1.119000       1.114000
  1 1 1      23   31    9 o    2.709000      0.6270000       2.117000 0.8657000       3.302000      0.9072000      -1.186000       1.254000
  1 1 1      23   31   10 o    1.688000      0.5468000       1.651000 0.7554000       1.724000      0.7907000     -0.7330000E-01   1.094000
  1 1 1      23   31   11 o    4.659000      0.4950000       4.854000 0.6774000       4.465000      0.7220000      0.3889000      0.9901000
  1 1 1      23   31   12 o    4.107000      0.7723000       3.882000 0.8883000       4.332000       1.264000     -0.4497000       1.545000
  1 1 1      23   31   13 o    5.248000      0.5109000       5.124000 0.7331000       5.371000      0.7117000     -0.2463000       1.022000
  1 1 1      23   31   14 o    7.492000      0.3410000       7.498000 0.4765000       7.486000      0.4878000      0.1174000E-01  0.6819000
  1 1 1      23   31   15 o    4.149000      0.8455000       4.404000 1.079000       3.893000       1.302000      0.5103000       1.691000
  1 1 1      23   31   16 o    3.025000      0.7574000       3.830000 1.105000       2.219000       1.037000       1.610000       1.515000
  1 1 1      23   31   17 o    2.813000      0.7921000       3.146000 1.138000       2.480000       1.102000      0.6659000       1.584000
  1 1 1      23   31   18 o    2.055000      0.6834000       1.956000 0.9199000       2.154000       1.011000     -0.1986000       1.367000
  1 1 1      23   32    0 o    2.558000      0.6246000       2.230000 0.8978000       2.885000      0.8687000     -0.6550000       1.249000
  1 1 1      23   32    1 o    2.036000      0.8674000       2.036000 0.8674000                  ?              ?              ?              ?
  1 1 1      23   32    2 o    1.995000      0.5967000       2.189000 0.8886000       1.800000      0.7966000      0.3884000       1.193000
  1 1 1      23   32    3 o    3.183000      0.9136000                  ?       ?   3.183000      0.9136000                  ?              ?
  1 1 1      23   32    4 o    2.631000      0.5781000       1.759000 0.8084000       3.502000      0.8267000      -1.743000       1.156000
  1 1 1      23   32    5 o    2.103000      0.6025000       2.547000 0.9436000       1.659000      0.7495000      0.8883000       1.205000
  1 1 1      23   32    6 f    1.635000      0.5302000       1.890000 0.8213000       1.381000      0.6709000      0.5094000       1.060000
  1 1 1      23   32    7 o    3.187000      0.6175000       2.524000 0.9289000       3.850000      0.8137000      -1.326000       1.235000
  1 1 1      23   32    8 o    2.086000      0.6151000       2.417000 0.9323000       1.755000      0.8026000      0.6624000       1.230000
  1 1 1      23   32    9 o    1.996000      0.6441000       2.509000 1.067000       1.482000      0.7221000       1.027000       1.288000
  1 1 1      23   32   10 o    2.886000      0.7705000       3.007000 1.135000       2.764000       1.042000      0.2423000       1.541000
  1 1 1      23   32   11 o    2.835000      0.7454000       2.406000 1.068000       3.263000       1.040000     -0.8564000       1.491000
  1 1 1      23   32   12 o    2.551000      0.7462000       2.195000 1.031000       2.908000       1.079000     -0.7136000       1.492000
  1 1 1      23   32   13 o    6.358000      0.6351000       5.902000 1.072000       6.814000      0.6810000     -0.9117000       1.270000
  1 1 1      23   32   14 o    5.028000      0.7636000       5.590000 1.095000       4.466000       1.065000       1.125000       1.527000
  1 1 1      23   32   15 o    2.708000      0.8136000       3.195000 1.318000       2.221000      0.9542000      0.9738000       1.627000
  1 1 1      23   32   16 o    3.538000      0.6586000       4.635000 0.8485000       2.440000       1.008000       2.194000       1.317000
  1 1 1      23   32   17 o    2.102000       1.013000                  ?       ?   2.102000       1.013000                  ?              ?
  1 1 1      23   33    0 o    3.410000      0.6496000       2.892000 0.9779000       3.928000      0.8554000      -1.037000       1.299000
  1 1 1      23   33    1 o    2.839000       1.002000       2.839000 1.002000                  ?              ?              ?              ?
  1 1 1      23   33    2 o    5.780000      0.4606000       5.261000 0.7276000       6.298000      0.5649000      -1.037000      0.9212000
  1 1 1      23   33    3 o    5.248000      0.5742000                  ?       ?   5.248000      0.5742000                  ?              ?
  1 1 1      23   33    4 o    3.804000      0.6071000       4.139000 0.8697000       3.469000      0.8473000      0.6694000       1.214000
  1 1 1      23   33    5 o    3.623000      0.6290000       4.235000 0.7932000       3.010000      0.9763000       1.225000       1.258000
  1 1 1      23   33    6 o    3.160000      0.6863000       2.704000 0.9807000       3.616000      0.9603000     -0.9113000       1.373000
  1 1 1      23   33    7 o    4.050000      0.6277000       3.315000 1.025000       4.786000      0.7254000      -1.470000       1.255000
  1 1 1      23   33    8 o    2.858000      0.6994000       2.750000 0.9944000       2.966000      0.9839000     -0.2159000       1.399000
  1 1 1      23   33    9 o    4.520000      0.5673000       5.224000 0.7099000       3.817000      0.8851000       1.407000       1.135000
  1 1 1      23   33   10 o    3.813000      0.6055000       2.626000 0.9848000       4.999000      0.7046000      -2.372000       1.211000
  1 1 1      23   33   11 o    2.655000      0.7071000       2.475000 0.9889000       2.835000       1.011000     -0.3604000       1.414000
  1 1 1      23   33   12 o    2.169000      0.6565000       2.279000 0.9625000       2.059000      0.8931000      0.2197000       1.313000
  1 1 1      23   33   13 o    2.519000      0.6989000       2.761000 1.023000       2.277000      0.9526000      0.4836000       1.398000
  1 1 1      23   33   14 o    1.841000      0.6037000       1.919000 0.8740000       1.763000      0.8329000      0.1554000       1.207000
  1 1 1      23   33   15 o    3.379000      0.8927000       3.613000 1.257000       3.145000       1.268000      0.4679000       1.785000
  1 1 1      23   34    0 o    4.664000      0.5991000       4.388000 0.9418000       4.941000      0.7408000     -0.5531000       1.198000
  1 1 1      23   34    1 o    5.075000      0.5348000       4.846000 0.8801000       5.303000      0.6078000     -0.4575000       1.070000
  1 1 1      23   34    2 o    4.926000      0.5272000       5.246000 0.7486000       4.605000      0.7424000      0.6407000       1.054000
  1 1 1      23   34    3 o    2.539000      0.6512000       2.307000 0.8902000       2.771000      0.9506000     -0.4636000       1.302000
  1 1 1      23   34    4 o    2.518000      0.6902000       2.505000 0.9743000       2.531000      0.9778000     -0.2600000E-01   1.380000
  1 1 1      23   34    5 o    2.866000      0.6602000       2.041000 0.9045000       3.691000      0.9620000      -1.650000       1.320000
  1 1 1      23   34    6 o    2.843000      0.6984000       2.733000 1.012000       2.952000      0.9627000     -0.2189000       1.397000
  1 1 1      23   34    7 o    1.668000      0.5556000       1.640000 0.7830000       1.696000      0.7884000     -0.5537000E-01   1.111000
  1 1 1      23   34    8 o    3.947000      0.6656000       4.338000 0.9179000       3.555000      0.9643000      0.7829000       1.331000
  1 1 1      23   34    9 o    2.584000      0.7109000       2.534000 1.018000       2.635000      0.9923000     -0.1017000       1.422000
  1 1 1      23   34   10 o    3.792000      0.6736000       3.534000 1.013000       4.050000      0.8884000     -0.5164000       1.347000
  1 1 1      23   34   11 o    2.351000      0.6894000       2.194000 0.9567000       2.509000      0.9928000     -0.3148000       1.379000
  1 1 1      23   34   12 o    2.293000      0.6655000       1.767000 0.8430000       2.819000       1.030000      -1.052000       1.331000
  1 1 1      23   34   13 o    2.773000       1.201000                  ?       ?   2.773000       1.201000                  ?              ?
  1 1 1      23   35    0 f    3.705000      0.7123000       4.025000 0.9701000       3.385000       1.043000      0.6399000       1.425000
  1 1 1      23   35    1 o    2.683000      0.6654000       3.422000 0.9953000       1.944000      0.8836000       1.479000       1.331000
  1 1 1      23   35    2 o    2.446000      0.6919000       2.756000 1.027000       2.136000      0.9277000      0.6200000       1.384000
  1 1 1      23   35    3 o    2.802000      0.6776000       2.016000 0.9054000       3.588000       1.008000      -1.572000       1.355000
  1 1 1      23   35    4 o    2.300000      0.6750000       2.105000 0.9220000       2.496000      0.9860000     -0.3915000       1.350000
  1 1 1      23   35    5 f    3.818000      0.6909000       3.504000 1.011000       4.132000      0.9424000     -0.6286000       1.382000
  1 1 1      23   35    6 o    4.297000      0.6263000       5.087000 0.7834000       3.507000      0.9775000       1.580000       1.253000
  1 1 1      23   35    7 o    4.017000      0.6590000       3.316000 1.073000       4.718000      0.7652000      -1.402000       1.318000
  1 1 1      23   35    8 o    3.487000      0.6944000       3.152000 1.062000       3.823000      0.8949000     -0.6711000       1.389000
  1 1 1      23   35    9 o    2.822000      0.7297000       3.153000 1.067000       2.491000      0.9961000      0.6620000       1.459000
  1 1 1      23   35   10 o    2.301000       1.090000                  ?       ?   2.301000       1.090000                  ?              ?
  1 1 1      23   36    0 o    2.514000      0.7105000       2.666000 1.028000       2.362000      0.9809000      0.3040000       1.421000
  1 1 1      23   36    1 o    3.152000      0.7655000       3.230000 1.087000       3.075000       1.078000      0.1549000       1.531000
  1 1 1      23   36    2 o    2.608000      0.6596000       3.513000 1.041000       1.703000      0.8109000       1.810000       1.319000
  1 1 1      23   36    3 o    2.780000      0.6999000       3.489000 1.054000       2.071000      0.9214000       1.418000       1.400000
  1 1 1      23   36    4 o    1.882000      0.6196000       1.848000 0.8725000       1.916000      0.8799000     -0.6744000E-01   1.239000
  1 1 1      23   36    5 o    2.929000      0.8261000       2.173000 0.9681000       3.686000       1.339000      -1.513000       1.652000
  1 1 1      23   36    6 o    3.547000       1.400000                  ?       ?   3.547000       1.400000                  ?              ?
  1 1 1      24  -15    0 o    1.933000      0.5915000       2.114000 0.8879000       1.753000      0.7816000      0.3612000       1.183000
  1 1 1      24  -15    1 o    1.821000      0.5810000       1.978000 0.8658000       1.663000      0.7750000      0.3146000       1.162000
  1 1 1      24  -15    2 o    3.845000      0.6208000       3.779000 0.8852000       3.910000      0.8707000     -0.1312000       1.242000
  1 1 1      24  -15    3 o    2.324000      0.7235000       2.142000 0.9794000       2.507000       1.065000     -0.3654000       1.447000
  1 1 1      24  -14    0 o    4.711000      0.4908000       4.611000 0.7396000       4.811000      0.6454000     -0.1998000      0.9816000
  1 1 1      24  -14    1 o    2.531000      0.6406000       2.680000 0.9446000       2.382000      0.8655000      0.2988000       1.281000
  1 1 1      24  -14    2 f    3.176000      0.6378000       3.513000 0.8698000       2.839000      0.9332000      0.6745000       1.276000
  1 1 1      24  -14    3 o    2.892000      0.7720000       2.345000 0.9866000       3.439000       1.188000      -1.095000       1.544000
  1 1 1      24  -14    4 o    1.777000      0.5363000       1.480000 0.7079000       2.073000      0.8057000     -0.5934000       1.073000
  1 1 1      24  -14    5 o    2.508000      0.6483000       2.519000 0.9144000       2.497000      0.9192000      0.2178000E-01   1.297000
  1 1 1      24  -14    6 o    4.309000      0.6329000       3.708000 0.8693000       4.909000      0.9200000      -1.201000       1.266000
  1 1 1      24  -14    7 o    3.527000      0.7777000       3.573000 1.110000       3.482000       1.090000      0.9117000E-01   1.555000
  1 1 1      24  -14    8 o    4.916000      0.5569000       5.352000 0.5117000       4.479000      0.9893000      0.8739000       1.114000
  1 1 1      24  -13    0 o    6.257000      0.3897000       6.069000 0.5691000       6.445000      0.5326000     -0.3759000      0.7794000
  1 1 1      24  -13    1 o    4.853000      0.7238000       6.141000 0.7919000       3.565000       1.212000       2.576000       1.448000
  1 1 1      24  -13    2 o    1.701000      0.5315000       1.436000 0.6934000       1.966000      0.8057000     -0.5299000       1.063000
  1 1 1      24  -13    3 o    3.647000      0.5843000       3.934000 0.7901000       3.361000      0.8611000      0.5738000       1.169000
  1 1 1      24  -13    4 o    3.357000      0.6128000       4.055000 0.6950000       2.660000       1.009000       1.395000       1.226000
  1 1 1      24  -13    5 o    3.479000      0.7206000       3.324000 1.112000       3.635000      0.9163000     -0.3112000       1.441000
  1 1 1      24  -13    6 o    2.895000      0.5519000       3.980000 0.7713000       1.810000      0.7896000       2.170000       1.104000
  1 1 1      24  -13    7 o    3.094000      0.5890000       3.736000 0.7804000       2.452000      0.8824000       1.284000       1.178000
  1 1 1      24  -13    8 o    4.789000      0.4609000       4.931000 0.6282000       4.648000      0.6745000      0.2828000      0.9217000
  1 1 1      24  -13    9 o    2.712000      0.6456000       2.747000 0.9157000       2.678000      0.9104000      0.6878000E-01   1.291000
  1 1 1      24  -13   10 o    5.259000      0.4142000       5.700000 0.5538000       4.818000      0.6159000      0.8818000      0.8283000
  1 1 1      24  -13   11 o    2.086000      0.5602000       2.763000 0.8905000       1.410000      0.6800000       1.353000       1.120000
  1 1 1      24  -12    0 o    3.760000      0.6905000       4.476000 0.6433000       3.043000       1.222000       1.432000       1.381000
  1 1 1      24  -12    1 f    3.164000      0.6256000       3.393000 0.8751000       2.934000      0.8941000      0.4588000       1.251000
  1 1 1      24  -12    2 o    3.918000      0.5885000       3.267000 0.8621000       4.568000      0.8012000      -1.300000       1.177000
  1 1 1      24  -12    3 o    2.025000      0.6340000       2.143000 0.9440000       1.907000      0.8466000      0.2358000       1.268000
  1 1 1      24  -12    4 o    3.240000      0.6108000       3.256000 0.8843000       3.225000      0.8429000      0.3107000E-01   1.222000
  1 1 1      24  -12    5 o    7.312000      0.3218000       7.253000 0.4559000       7.371000      0.4543000     -0.1184000      0.6436000
  1 1 1      24  -12    6 o    8.119000      0.3070000       8.087000 0.4404000       8.151000      0.4277000     -0.6334000E-01  0.6139000
  1 1 1      24  -12    7 o    6.428000      0.3320000       6.351000 0.4723000       6.506000      0.4668000     -0.1546000      0.6641000
  1 1 1      24  -12    8 o    1.640000      0.5213000       1.922000 0.8116000       1.358000      0.6544000      0.5635000       1.043000
  1 1 1      24  -12    9 o    7.304000      0.3170000       7.375000 0.4407000       7.233000      0.4559000      0.1417000      0.6341000
  1 1 1      24  -12   10 o    5.254000      0.4191000       5.597000 0.5436000       4.911000      0.6381000      0.6863000      0.8383000
  1 1 1      24  -12   11 o    3.989000      0.5368000       4.498000 0.6473000       3.481000      0.8565000       1.017000       1.074000
  1 1 1      24  -12   12 o    3.251000      0.5683000       4.127000 0.7174000       2.374000      0.8816000       1.753000       1.137000
  1 1 1      24  -12   13 o    4.330000      0.5092000       3.921000 0.7867000       4.738000      0.6468000     -0.8165000       1.018000
  1 1 1      24  -12   14 o    2.757000       1.049000                  ?       ?   2.757000       1.049000                  ?              ?
  1 1 1      24  -11    0 o    3.796000      0.5572000       3.396000 0.8875000       4.196000      0.6741000     -0.8001000       1.114000
  1 1 1      24  -11    1 o    2.785000      0.6871000       3.026000 1.018000       2.545000      0.9232000      0.4811000       1.374000
  1 1 1      24  -11    2 o    7.107000      0.3331000       6.576000 0.4942000       7.637000      0.4467000      -1.061000      0.6662000
  1 1 1      24  -11    3 o    4.071000      0.5202000       4.479000 0.6631000       3.664000      0.8017000      0.8148000       1.040000
  1 1 1      24  -11    4 o    5.761000      0.3676000       5.882000 0.5149000       5.639000      0.5249000      0.2436000      0.7352000
  1 1 1      24  -11    5 o    4.189000      0.4665000       3.991000 0.6899000       4.387000      0.6280000     -0.3961000      0.9330000
  1 1 1      24  -11    6 o    1.915000      0.5594000       2.177000 0.8456000       1.654000      0.7325000      0.5231000       1.119000
  1 1 1      24  -11    7 o    2.112000      0.5709000       1.716000 0.7596000       2.508000      0.8524000     -0.7919000       1.142000
  1 1 1      24  -11    8 o    5.322000      0.3782000       5.510000 0.5234000       5.134000      0.5461000      0.3762000      0.7565000
  1 1 1      24  -11    9 o    4.120000      0.4794000       4.666000 0.5982000       3.575000      0.7493000       1.091000      0.9588000
  1 1 1      24  -11   10 o    3.158000      0.5451000       2.232000 0.8414000       4.084000      0.6931000      -1.852000       1.090000
  1 1 1      24  -11   11 o    2.509000      0.5820000       3.152000 0.8375000       1.867000      0.8084000       1.285000       1.164000
  1 1 1      24  -11   12 o    3.982000      0.5162000       4.349000 0.6331000       3.615000      0.8156000      0.7334000       1.032000
  1 1 1      24  -11   13 o    3.517000      0.5573000       3.872000 0.7066000       3.162000      0.8619000      0.7098000       1.115000
  1 1 1      24  -11   14 o    4.128000      0.5343000       4.976000 0.6080000       3.279000      0.8788000       1.697000       1.069000
  1 1 1      24  -11   15 o    3.423000      0.5802000       3.081000 0.8746000       3.766000      0.7627000     -0.6844000       1.160000
  1 1 1      24  -11   16 o    1.552000      0.7574000                  ?       ?   1.552000      0.7574000                  ?              ?
  1 1 1      24  -10    0 o    1.823000      0.5700000       1.773000 0.8250000       1.873000      0.7867000     -0.1004000       1.140000
  1 1 1      24  -10    1 o    2.475000      0.6007000       2.099000 0.8549000       2.852000      0.8441000     -0.7535000       1.201000
  1 1 1      24  -10    2 o    3.764000      0.5279000       3.776000 0.7593000       3.752000      0.7335000      0.2398000E-01   1.056000
  1 1 1      24  -10    3 o    4.572000      0.4291000       4.635000 0.6019000       4.509000      0.6118000      0.1264000      0.8582000
  1 1 1      24  -10    4 o    9.626000      0.2812000       9.988000 0.3915000       9.265000      0.4037000      0.7228000      0.5623000
  1 1 1      24  -10    5 o    7.104000      0.3164000       7.377000 0.4466000       6.831000      0.4482000      0.5460000      0.6328000
  1 1 1      24  -10    6 o    9.270000      0.2722000       9.105000 0.3869000       9.434000      0.3831000     -0.3295000      0.5445000
  1 1 1      24  -10    7 o    2.945000      0.5675000       3.066000 0.8087000       2.823000      0.7963000      0.2432000       1.135000
  1 1 1      24  -10    8 o    5.012000      0.3935000       4.662000 0.5828000       5.361000      0.5288000     -0.6982000      0.7870000
  1 1 1      24  -10    9 o    4.710000      0.4690000       5.134000 0.7072000       4.286000      0.6162000      0.8480000      0.9379000
  1 1 1      24  -10   10 o    1.887000      0.5466000       2.000000 0.7924000       1.773000      0.7530000      0.2266000       1.093000
  1 1 1      24  -10   11 o    6.455000      0.3223000       7.170000 0.3983000       5.740000      0.5067000       1.430000      0.6445000
  1 1 1      24  -10   12 o    2.544000      0.5935000       2.202000 0.8313000       2.887000      0.8472000     -0.6849000       1.187000
  1 1 1      24  -10   13 o    1.857000      0.5576000       1.781000 0.7648000       1.934000      0.8115000     -0.1529000       1.115000
  1 1 1      24  -10   14 o    2.292000      0.5929000       1.884000 0.7914000       2.699000      0.8832000     -0.8151000       1.186000
  1 1 1      24  -10   15 o    2.266000      0.6128000       2.352000 0.8696000       2.180000      0.8637000      0.1722000       1.226000
  1 1 1      24  -10   16 o    4.021000      0.6795000       4.646000 0.8715000       3.396000       1.043000       1.250000       1.359000
  1 1 1      24  -10   17 f    3.621000      0.6689000       3.816000 0.9034000       3.425000      0.9866000      0.3907000       1.338000
  1 1 1      24   -9    0 o    4.585000      0.4803000       4.072000 0.7785000       5.097000      0.5627000      -1.025000      0.9606000
  1 1 1      24   -9    1 o    1.816000      0.5520000       2.020000 0.8245000       1.612000      0.7342000      0.4080000       1.104000
  1 1 1      24   -9    2 f    2.428000      0.5967000       2.405000 0.8482000       2.451000      0.8394000     -0.4551000E-01   1.193000
  1 1 1      24   -9    3 o    3.709000      0.5149000       3.215000 0.8058000       4.203000      0.6412000     -0.9886000       1.030000
  1 1 1      24   -9    4 o    2.368000      0.5913000       2.520000 0.8501000       2.215000      0.8221000      0.3057000       1.183000
  1 1 1      24   -9    5 o    7.942000      0.2920000       8.339000 0.4038000       7.546000      0.4220000      0.7929000      0.5841000
  1 1 1      24   -9    6 f    7.805000      0.2892000       7.698000 0.4138000       7.913000      0.4041000     -0.2153000      0.5784000
  1 1 1      24   -9    7 o    5.755000      0.3369000       5.404000 0.4983000       6.106000      0.4536000     -0.7028000      0.6738000
  1 1 1      24   -9    8 o    2.979000      0.5576000       3.354000 0.7734000       2.604000      0.8035000      0.7498000       1.115000
  1 1 1      24   -9    9 f    2.258000      0.5755000       2.049000 0.7949000       2.466000      0.8323000     -0.4167000       1.151000
  1 1 1      24   -9   10 f    6.646000      0.2959000       6.189000 0.4315000       7.103000      0.4050000     -0.9142000      0.5918000
  1 1 1      24   -9   11 o    5.101000      0.3588000       4.999000 0.5212000       5.204000      0.4931000     -0.2043000      0.7175000
  1 1 1      24   -9   12 o    5.576000      0.3395000       6.290000 0.4174000       4.861000      0.5355000       1.430000      0.6789000
  1 1 1      24   -9   13 o    1.704000      0.5226000       1.639000 0.7185000       1.769000      0.7590000     -0.1302000       1.045000
  1 1 1      24   -9   14 o    2.358000      0.6878000       2.082000 0.8962000       2.635000       1.044000     -0.5533000       1.376000
  1 1 1      24   -9   15 o    5.989000      0.5228000       6.646000 0.6165000       5.332000      0.8444000       1.314000       1.046000
  1 1 1      24   -9   16 f    4.195000      0.4686000       4.161000 0.6486000       4.230000      0.6765000     -0.6927000E-01  0.9372000
  1 1 1      24   -9   17 o    1.724000      0.5316000       1.945000 0.7964000       1.504000      0.7044000      0.4405000       1.063000
  1 1 1      24   -9   18 o    2.611000      0.7587000       2.555000 1.049000       2.666000       1.096000     -0.1116000       1.517000
  1 1 1      24   -8    0 o    5.464000      0.4160000       5.588000 0.5654000       5.340000      0.6105000      0.2475000      0.8321000
  1 1 1      24   -8    1 o    5.270000      0.3917000       5.306000 0.5842000       5.234000      0.5219000      0.7156000E-01  0.7834000
  1 1 1      24   -8    2 o    2.144000      0.5910000       2.017000 0.8287000       2.271000      0.8428000     -0.2535000       1.182000
  1 1 1      24   -8    3 o    3.111000      0.5746000       3.128000 0.8074000       3.095000      0.8177000      0.3232000E-01   1.149000
  1 1 1      24   -8    4 o    6.111000      0.3277000       6.077000 0.4608000       6.145000      0.4661000     -0.6869000E-01  0.6554000
  1 1 1      24   -8    5 o    12.62000      0.2617000       12.87000 0.3647000       12.38000      0.3753000      0.4834000      0.5234000
  1 1 1      24   -8    6 o    4.731000      0.3854000       4.587000 0.5646000       4.875000      0.5248000     -0.2883000      0.7708000
  1 1 1      24   -8    7 o    6.603000      0.3025000       7.092000 0.4110000       6.113000      0.4439000      0.9789000      0.6049000
  1 1 1      24   -8    8 o    4.095000      0.4216000       4.109000 0.6048000       4.081000      0.5875000      0.2787000E-01  0.8432000
  1 1 1      24   -8    9 o    5.062000      0.3589000       4.946000 0.5198000       5.177000      0.4951000     -0.2310000      0.7179000
  1 1 1      24   -8   10 o    5.882000      0.3204000       5.356000 0.4786000       6.408000      0.4261000      -1.052000      0.6408000
  1 1 1      24   -8   11 o    2.645000      0.5514000       3.121000 0.7799000       2.170000      0.7798000      0.9507000       1.103000
  1 1 1      24   -8   12 o    3.351000      0.7333000       3.587000 0.9276000       3.115000       1.136000      0.4721000       1.467000
  1 1 1      24   -8   13 o    3.151000      0.7517000       3.189000 0.9571000       3.114000       1.159000      0.7512000E-01   1.503000
  1 1 1      24   -8   14 o    2.428000      0.5670000       2.117000 0.7925000       2.738000      0.8111000     -0.6210000       1.134000
  1 1 1      24   -8   15 o    2.642000      0.5484000       1.993000 0.7735000       3.291000      0.7778000      -1.298000       1.097000
  1 1 1      24   -8   16 o    2.096000      0.6260000       1.659000 0.7782000       2.533000      0.9808000     -0.8733000       1.252000
  1 1 1      24   -8   17 o    2.632000      0.6408000       3.511000 0.9851000       1.753000      0.8200000       1.758000       1.282000
  1 1 1      24   -8   18 o    1.823000      0.5359000       1.464000 0.6755000       2.183000      0.8322000     -0.7197000       1.072000
  1 1 1      24   -8   19 o    2.654000      0.5234000       3.691000 0.7393000       1.617000      0.7409000       2.074000       1.047000
  1 1 1      24   -8   20 o    2.848000      0.5440000       3.845000 0.7334000       1.850000      0.8036000       1.995000       1.088000
  1 1 1      24   -7    0 o    8.878000      0.2656000       9.465000 0.4040000       8.291000      0.3450000       1.174000      0.5312000
  1 1 1      24   -7    1 o    5.541000      0.3386000       5.446000 0.5400000       5.636000      0.4086000     -0.1904000      0.6771000
  1 1 1      24   -7    2 o    6.930000      0.2850000       7.273000 0.4387000       6.587000      0.3639000      0.6859000      0.5700000
  1 1 1      24   -7    3 o    2.693000      0.5451000       1.671000 0.7611000       3.715000      0.7807000      -2.044000       1.090000
  1 1 1      24   -7    4 o    4.023000      0.4609000       3.651000 0.7238000       4.394000      0.5707000     -0.7428000      0.9217000
  1 1 1      24   -7    5 o    7.434000      0.2795000       7.901000 0.3897000       6.968000      0.4008000      0.9339000      0.5590000
  1 1 1      24   -7    6 o    5.447000      0.3414000       5.092000 0.5086000       5.801000      0.4557000     -0.7097000      0.6829000
  1 1 1      24   -7    7 o    9.546000      0.2581000       9.403000 0.3602000       9.690000      0.3698000     -0.2868000      0.5163000
  1 1 1      24   -7    8 o    5.122000      0.3486000       5.106000 0.5098000       5.137000      0.4756000     -0.3142000E-01  0.6972000
  1 1 1      24   -7    9 o    11.73000      0.2505000       12.19000 0.3530000       11.26000      0.3554000      0.9303000      0.5009000
  1 1 1      24   -7   10 o    9.343000      0.4554000       9.887000 0.5120000       8.800000      0.7533000       1.087000      0.9108000
  1 1 1      24   -7   11 o    4.808000      0.6919000       5.840000 0.6550000       3.776000       1.219000       2.063000       1.384000
  1 1 1      24   -7   12 o    1.774000      0.5173000       1.985000 0.7750000       1.564000      0.6853000      0.4210000       1.035000
  1 1 1      24   -7   13 f    2.200000      0.5250000       1.773000 0.7354000       2.626000      0.7493000     -0.8532000       1.050000
  1 1 1      24   -7   14 o    2.859000      0.6036000       2.695000 0.9205000       3.024000      0.7811000     -0.3283000       1.207000
  1 1 1      24   -7   15 o    4.482000      0.4925000       4.378000 0.7639000       4.586000      0.6219000     -0.2080000      0.9851000
  1 1 1      24   -7   16 o    2.838000      0.5419000       2.540000 0.7974000       3.136000      0.7341000     -0.5954000       1.084000
  1 1 1      24   -7   17 o    3.072000      0.5567000       3.052000 0.7539000       3.091000      0.8194000     -0.3867000E-01   1.113000
  1 1 1      24   -7   18 o    4.621000      0.3851000       4.646000 0.5182000       4.597000      0.5699000      0.4879000E-01  0.7702000
  1 1 1      24   -7   19 o    1.549000      0.4945000       1.778000 0.7524000       1.320000      0.6418000      0.4578000      0.9889000
  1 1 1      24   -7   20 o    4.470000      0.5737000       4.470000 0.5737000                  ?              ?              ?              ?
  1 1 1      24   -7   21 o    4.878000      0.4501000       5.154000 0.5970000       4.603000      0.6736000      0.5508000      0.9001000
  1 1 1      24   -6    0 o    4.495000      0.3919000       4.799000 0.5903000       4.191000      0.5156000      0.6079000      0.7838000
  1 1 1      24   -6    1 o    3.707000      0.4638000       3.590000 0.7200000       3.824000      0.5849000     -0.2348000      0.9276000
  1 1 1      24   -6    2 o    8.816000      0.2559000       8.576000 0.3886000       9.056000      0.3331000     -0.4796000      0.5118000
  1 1 1      24   -6    3 o    2.335000      0.5471000       2.227000 0.8242000       2.442000      0.7196000     -0.2144000       1.094000
  1 1 1      24   -6    4 o    6.319000      0.2867000       6.159000 0.4459000       6.480000      0.3607000     -0.3201000      0.5735000
  1 1 1      24   -6    5 o    7.430000      0.2661000       7.662000 0.4005000       7.198000      0.3506000      0.4641000      0.5323000
  1 1 1      24   -6    6 o    5.414000      0.3091000       5.698000 0.4839000       5.130000      0.3846000      0.5681000      0.6181000
  1 1 1      24   -6    7 f    2.039000      0.5420000       2.485000 0.8166000       1.594000      0.7129000      0.8919000       1.084000
  1 1 1      24   -6    8 o    7.375000      0.4750000       7.231000 0.5720000       7.518000      0.7585000     -0.2869000      0.9500000
  1 1 1      24   -6    9 o    13.67000      0.4071000       13.93000 0.5237000       13.41000      0.6235000      0.5126000      0.8143000
  1 1 1      24   -6   10 o    6.276000      0.2960000       6.261000 0.4439000       6.291000      0.3917000     -0.3035000E-01  0.5920000
  1 1 1      24   -6   11 o    3.889000      0.4037000       3.885000 0.6324000       3.893000      0.5021000     -0.7904000E-02  0.8074000
  1 1 1      24   -6   12 o    3.203000      0.5657000       3.090000 0.9108000       3.315000      0.6713000     -0.2254000       1.131000
  1 1 1      24   -6   13 o    5.925000      0.3522000       5.896000 0.5486000       5.955000      0.4418000     -0.5955000E-01  0.7044000
  1 1 1      24   -6   14 o    4.287000      0.3621000       4.193000 0.5297000       4.381000      0.4939000     -0.1876000      0.7243000
  1 1 1      24   -6   15 o    5.205000      0.3169000       5.250000 0.4402000       5.161000      0.4559000      0.8913000E-01  0.6338000
  1 1 1      24   -6   16 o    7.991000      0.2442000       8.499000 0.3337000       7.484000      0.3566000       1.015000      0.4884000
  1 1 1      24   -6   17 o    5.522000      0.3058000       5.885000 0.3800000       5.160000      0.4791000      0.7248000      0.6115000
  1 1 1      24   -6   18 o    2.922000      0.5302000       3.495000 0.6602000       2.349000      0.8299000       1.146000       1.060000
  1 1 1      24   -6   19 o    2.008000      0.5520000       1.926000 0.7528000       2.089000      0.8074000     -0.1631000       1.104000
  1 1 1      24   -6   20 f    2.160000      0.6040000       2.186000 0.8140000       2.134000      0.8925000      0.5278000E-01   1.208000
  1 1 1      24   -6   21 o    3.709000      0.5134000       4.162000 0.5952000       3.256000      0.8366000      0.9059000       1.027000
  1 1 1      24   -6   22 o    2.474000      0.8518000                  ?       ?   2.474000      0.8518000                  ?              ?
  1 1 1      24   -5    0 o    6.908000      0.2941000       6.499000 0.4670000       7.317000      0.3575000     -0.8177000      0.5881000
  1 1 1      24   -5    1 o    7.297000      0.2720000       7.328000 0.4259000       7.266000      0.3385000      0.6210000E-01  0.5440000
  1 1 1      24   -5    2 f    9.201000      0.2499000       9.053000 0.3790000       9.348000      0.3260000     -0.2950000      0.4999000
  1 1 1      24   -5    3 o    6.947000      0.2788000       6.614000 0.4386000       7.280000      0.3443000     -0.6651000      0.5576000
  1 1 1      24   -5    4 o    4.939000      0.3425000       4.860000 0.5529000       5.018000      0.4044000     -0.1575000      0.6850000
  1 1 1      24   -5    5 o    5.182000      0.3132000       5.542000 0.4667000       4.821000      0.4180000      0.7207000      0.6265000
  1 1 1      24   -5    6 o    2.133000      0.5405000       2.290000 0.8167000       1.976000      0.7084000      0.3149000       1.081000
  1 1 1      24   -5    7 o    6.774000      0.3738000       7.212000 0.5479000       6.336000      0.5088000      0.8753000      0.7477000
  1 1 1      24   -5    8 f    8.244000      0.2877000       8.059000 0.3531000       8.429000      0.4544000     -0.3705000      0.5754000
  1 1 1      24   -5    9 o    6.598000      0.2611000       6.032000 0.4154000       7.163000      0.3163000      -1.131000      0.5221000
  1 1 1      24   -5   10 o    2.268000      0.5708000       2.683000 0.9281000       1.853000      0.6648000      0.8303000       1.142000
  1 1 1      24   -5   11 o    4.858000      0.4169000       4.787000 0.6854000       4.929000      0.4747000     -0.1422000      0.8338000
  1 1 1      24   -5   12 o    8.797000      0.2526000       8.884000 0.3407000       8.710000      0.3731000      0.1739000      0.5052000
  1 1 1      24   -5   13 o    3.807000      0.3993000       4.483000 0.5005000       3.131000      0.6222000       1.352000      0.7985000
  1 1 1      24   -5   14 o    2.394000      0.5121000       2.157000 0.7625000       2.632000      0.6836000     -0.4750000       1.024000
  1 1 1      24   -5   15 o    10.14000      0.2253000       10.17000 0.3169000       10.10000      0.3204000      0.6491000E-01  0.4506000
  1 1 1      24   -5   16 o    5.004000      0.2999000       5.279000 0.4140000       4.729000      0.4340000      0.5499000      0.5998000
  1 1 1      24   -5   17 f    2.691000      0.5092000       2.722000 0.7227000       2.659000      0.7175000      0.6235000E-01   1.018000
  1 1 1      24   -5   18 o    7.904000      0.2396000       7.924000 0.3270000       7.884000      0.3504000      0.4033000E-01  0.4793000
  1 1 1      24   -5   19 o    2.424000      0.5422000       1.905000 0.7448000       2.944000      0.7881000      -1.038000       1.084000
  1 1 1      24   -5   20 o    1.989000      0.5178000       2.616000 0.8061000       1.362000      0.6502000       1.255000       1.036000
  1 1 1      24   -5   21 o    2.361000      0.5551000       2.767000 0.7942000       1.955000      0.7757000      0.8116000       1.110000
  1 1 1      24   -5   22 o    1.898000      0.5394000       1.563000 0.7100000       2.233000      0.8121000     -0.6697000       1.079000
  1 1 1      24   -5   23 o    1.900000      0.5600000       1.855000 0.7909000       1.944000      0.7929000     -0.8895000E-01   1.120000
  1 1 1      24   -4    0 o    7.212000      0.2915000       6.435000 0.4777000       7.988000      0.3343000      -1.553000      0.5831000
  1 1 1      24   -4    1 o    2.796000      0.5306000       3.221000 0.7708000       2.372000      0.7295000      0.8494000       1.061000
  1 1 1      24   -4    2 o    8.002000      0.2578000       7.975000 0.3945000       8.029000      0.3320000     -0.5447000E-01  0.5156000
  1 1 1      24   -4    3 o    10.37000      0.2440000       10.35000 0.3674000       10.39000      0.3213000     -0.3356000E-01  0.4880000
  1 1 1      24   -4    4 o    3.991000      0.4185000       3.529000 0.7067000       4.454000      0.4486000     -0.9246000      0.8370000
  1 1 1      24   -4    5 o    12.77000      0.3046000       13.01000 0.5091000       12.53000      0.3345000      0.4793000      0.6091000
  1 1 1      24   -4    6 o    7.534000      0.3556000       7.537000 0.5379000       7.532000      0.4652000      0.5113000E-02  0.7112000
  1 1 1      24   -4    7 o    3.379000      0.4363000       3.905000 0.6262000       2.853000      0.6078000       1.052000      0.8727000
  1 1 1      24   -4    8 o    4.975000      0.3173000       4.853000 0.5159000       5.097000      0.3697000     -0.2438000      0.6347000
  1 1 1      24   -4    9 f    6.844000      0.3422000       6.798000 0.5430000       6.890000      0.4166000     -0.9142000E-01  0.6844000
  1 1 1      24   -4   10 o    4.701000      0.4167000       5.248000 0.6327000       4.154000      0.5423000       1.094000      0.8333000
  1 1 1      24   -4   11 o    5.336000      0.2712000       5.493000 0.4195000       5.180000      0.3438000      0.3125000      0.5424000
  1 1 1      24   -4   12 o    9.264000      0.2157000       9.406000 0.3243000       9.122000      0.2845000      0.2840000      0.4314000
  1 1 1      24   -4   13 o    4.650000      0.2908000       4.780000 0.4533000       4.519000      0.3643000      0.2619000      0.5816000
  1 1 1      24   -4   14 o    2.379000      0.4806000       2.241000 0.7434000       2.517000      0.6094000     -0.2760000      0.9612000
  1 1 1      24   -4   15 o    4.954000      0.2711000       5.280000 0.4047000       4.627000      0.3609000      0.6528000      0.5423000
  1 1 1      24   -4   16 o    8.286000      0.2079000       8.273000 0.3139000       8.298000      0.2726000     -0.2485000E-01  0.4157000
  1 1 1      24   -4   17 o    8.163000      0.2069000       7.904000 0.3152000       8.421000      0.2680000     -0.5164000      0.4138000
  1 1 1      24   -4   18 o    10.14000      0.2481000       9.788000 0.3019000       10.49000      0.3939000     -0.6970000      0.4963000
  1 1 1      24   -4   19 f    6.076000      0.3308000       6.035000 0.3822000       6.117000      0.5400000     -0.8158000E-01  0.6616000
  1 1 1      24   -4   20 o    4.546000      0.4711000       4.874000 0.4284000       4.219000      0.8391000      0.6554000      0.9422000
  1 1 1      24   -4   21 o    3.016000      0.7007000       3.016000 0.7007000                  ?              ?              ?              ?
  1 1 1      24   -4   22 o    1.332000      0.4421000       1.371000 0.6397000       1.292000      0.6105000      0.7875000E-01  0.8842000
  1 1 1      24   -4   23 o    1.660000      0.4909000       1.321000 0.6267000       1.999000      0.7557000     -0.6779000      0.9818000
  1 1 1      24   -4   24 f    2.012000      0.5558000       2.081000 0.8161000       1.942000      0.7548000      0.1396000       1.112000
  1 1 1      24   -3    0 o    9.727000      0.2536000       10.21000 0.3880000       9.240000      0.3266000      0.9747000      0.5072000
  1 1 1      24   -3    1 o    6.323000      0.2958000       6.604000 0.4491000       6.042000      0.3850000      0.5620000      0.5915000
  1 1 1      24   -3    2 o    1.583000      0.4954000       1.731000 0.7466000       1.434000      0.6513000      0.2978000      0.9907000
  1 1 1      24   -3    3 o    11.50000      0.2451000       11.25000 0.3671000       11.74000      0.3248000     -0.4850000      0.4902000
  1 1 1      24   -3    4 o    5.127000      0.4673000       5.523000 0.6684000       4.730000      0.6533000      0.7928000      0.9347000
  1 1 1      24   -3    5 o    12.32000      0.3452000       12.17000 0.4991000       12.48000      0.4770000     -0.3093000      0.6904000
  1 1 1      24   -3    6 o    12.16000      0.2404000       12.14000 0.3581000       12.17000      0.3208000     -0.3928000E-01  0.4808000
  1 1 1      24   -3    7 o    6.290000      0.2678000       6.263000 0.4223000       6.318000      0.3295000     -0.5454000E-01  0.5357000
  1 1 1      24   -3    8 o    3.770000      0.5539000       3.370000 0.9464000       4.170000      0.5759000     -0.8005000       1.108000
  1 1 1      24   -3    9 o    7.219000      0.2378000       7.269000 0.3627000       7.170000      0.3075000      0.9926000E-01  0.4755000
  1 1 1      24   -3   10 o    6.550000      0.2515000       6.087000 0.4003000       7.013000      0.3045000     -0.9260000      0.5030000
  1 1 1      24   -3   11 o    5.686000      0.2592000       5.872000 0.3977000       5.499000      0.3326000      0.3731000      0.5185000
  1 1 1      24   -3   12 o    4.336000      0.3096000       4.676000 0.4628000       3.995000      0.4115000      0.6810000      0.6193000
  1 1 1      24   -3   13 o    6.417000      0.2337000       6.574000 0.3649000       6.260000      0.2921000      0.3147000      0.4674000
  1 1 1      24   -3   14 o    8.137000      0.2123000       8.475000 0.3197000       7.800000      0.2794000      0.6748000      0.4246000
  1 1 1      24   -3   15 o    6.078000      0.2309000       6.304000 0.3509000       5.852000      0.3001000      0.4527000      0.4617000
  1 1 1      24   -3   16 o    10.35000      0.2035000       10.23000 0.2998000       10.46000      0.2751000     -0.2354000      0.4069000
  1 1 1      24   -3   17 o    5.552000      0.2319000       5.548000 0.3503000       5.557000      0.3042000     -0.9171000E-02  0.4639000
  1 1 1      24   -3   18 o    1.440000      0.4404000       1.446000 0.6345000       1.434000      0.6110000      0.1151000E-01  0.8808000
  1 1 1      24   -3   19 o    10.52000      0.2041000       10.42000 0.2986000       10.62000      0.2783000     -0.1945000      0.4082000
  1 1 1      24   -3   20 o    3.968000      0.3541000       3.795000 0.5643000       4.140000      0.4279000     -0.3448000      0.7082000
  1 1 1      24   -3   21 o    3.810000      0.5535000       3.810000 0.5535000                  ?              ?              ?              ?
  1 1 1      24   -3   22 o    2.081000      0.5420000       1.938000 0.7970000       2.223000      0.7346000     -0.2853000       1.084000
  1 1 1      24   -3   23 o    3.782000      0.5263000                  ?       ?   3.782000      0.5263000                  ?              ?
  1 1 1      24   -3   24 o    2.063000      0.4822000       1.637000 0.7096000       2.488000      0.6529000     -0.8509000      0.9643000
  1 1 1      24   -2    0 o    9.897000      0.2510000       10.19000 0.3765000       9.605000      0.3321000      0.5834000      0.5020000
  1 1 1      24   -2    1 o    2.076000      0.5398000       2.227000 0.8168000       1.926000      0.7059000      0.3001000       1.080000
  1 1 1      24   -2    2 o    11.38000      0.2447000       11.72000 0.3635000       11.03000      0.3275000      0.6885000      0.4893000
  1 1 1      24   -2    3 o    6.335000      0.3978000       6.195000 0.5784000       6.475000      0.5464000     -0.2807000      0.7956000
  1 1 1      24   -2    4 o    7.888000      0.3581000       8.717000 0.5088000       7.059000      0.5041000       1.658000      0.7163000
  1 1 1      24   -2    5 o    4.584000      0.3516000       4.168000 0.5811000       5.000000      0.3959000     -0.8319000      0.7031000
  1 1 1      24   -2    6 o    10.97000      0.2966000       11.17000 0.5093000       10.77000      0.3041000      0.4020000      0.5931000
  1 1 1      24   -2    7 o    7.292000      0.3534000       7.355000 0.5581000       7.229000      0.4337000      0.1259000      0.7068000
  1 1 1      24   -2    8 o    9.514000      0.2260000       9.782000 0.3437000       9.247000      0.2936000      0.5345000      0.4520000
  1 1 1      24   -2    9 o    13.50000      0.2408000       13.44000 0.3528000       13.57000      0.3277000     -0.1325000      0.4815000
  1 1 1      24   -2   10 o    3.085000      0.4267000       3.108000 0.6663000       3.062000      0.5332000      0.4622000E-01  0.8534000
  1 1 1      24   -2   11 o    4.860000      0.2893000       4.745000 0.4679000       4.975000      0.3402000     -0.2304000      0.5785000
  1 1 1      24   -2   12 o    11.48000      0.2187000       11.56000 0.3253000       11.40000      0.2924000      0.1577000      0.4374000
  1 1 1      24   -2   13 f    6.173000      0.2389000       5.721000 0.3772000       6.625000      0.2932000     -0.9033000      0.4778000
  1 1 1      24   -2   14 o    4.603000      0.2703000       4.930000 0.4068000       4.276000      0.3561000      0.6537000      0.5406000
  1 1 1      24   -2   15 o    5.406000      0.2413000       5.724000 0.3584000       5.087000      0.3231000      0.6363000      0.4825000
  1 1 1      24   -2   16 o    12.10000      0.2126000       12.15000 0.3087000       12.04000      0.2924000      0.1031000      0.4252000
  1 1 1      24   -2   17 o    4.679000      0.2720000       4.323000 0.4366000       5.035000      0.3245000     -0.7121000      0.5440000
  1 1 1      24   -2   18 o    7.991000      0.1988000       7.857000 0.2950000       8.124000      0.2666000     -0.2671000      0.3976000
  1 1 1      24   -2   19 o    1.402000      0.4128000       1.120000 0.5319000       1.684000      0.6314000     -0.5639000      0.8256000
  1 1 1      24   -2   20 o    1.529000      0.4667000       1.536000 0.6518000       1.521000      0.6682000      0.1472000E-01  0.9334000
  1 1 1      24   -2   21 o    2.261000      0.5626000       2.679000 0.8644000       1.842000      0.7204000      0.8370000       1.125000
  1 1 1      24   -2   22 o    3.236000      0.4282000       3.063000 0.6765000       3.409000      0.5251000     -0.3464000      0.8564000
  1 1 1      24   -2   23 o    1.291000      0.4067000      0.9760000 0.4755000       1.605000      0.6600000     -0.6290000      0.8134000
  1 1 1      24   -2   24 o    2.551000      0.7705000       2.969000 1.186000       2.134000      0.9841000      0.8354000       1.541000
  1 1 1      24   -2   25 o    1.280000      0.4153000       1.229000 0.5877000       1.331000      0.5870000     -0.1020000      0.8306000
  1 1 1      24   -1    0 o    3.676000      0.4705000       3.128000 0.7984000       4.225000      0.4981000      -1.098000      0.9411000
  1 1 1      24   -1    1 o    4.639000      0.3499000       4.511000 0.5568000       4.767000      0.4238000     -0.2562000      0.6997000
  1 1 1      24   -1    2 o    11.81000      0.3374000       12.17000 0.4882000       11.44000      0.4660000      0.7318000      0.6749000
  1 1 1      24   -1    3 o    1.664000      0.5270000       1.821000 0.7915000       1.507000      0.6959000      0.3139000       1.054000
  1 1 1      24   -1    4 o    12.41000      0.2451000       12.69000 0.3642000       12.13000      0.3280000      0.5573000      0.4901000
  1 1 1      24   -1    5 o    14.67000      0.3642000       13.98000 0.5332000       15.37000      0.4962000      -1.388000      0.7284000
  1 1 1      24   -1    6 o    8.252000      0.3530000       8.371000 0.5428000       8.133000      0.4513000      0.2381000      0.7059000
  1 1 1      24   -1    7 o    9.591000      0.2323000       9.568000 0.3455000       9.614000      0.3107000     -0.4661000E-01  0.4646000
  1 1 1      24   -1    8 o    13.29000      0.2410000       13.45000 0.3553000       13.13000      0.3257000      0.3188000      0.4820000
  1 1 1      24   -1    9 o    2.881000      0.4507000       2.305000 0.7482000       3.457000      0.5027000      -1.152000      0.9014000
  1 1 1      24   -1   10 o    8.008000      0.2268000       7.970000 0.3461000       8.046000      0.2933000     -0.7612000E-01  0.4536000
  1 1 1      24   -1   11 o    6.742000      0.2370000       6.481000 0.3669000       7.004000      0.3002000     -0.5229000      0.4741000
  1 1 1      24   -1   12 o    13.58000      0.2326000       13.41000 0.3373000       13.75000      0.3204000     -0.3357000      0.4652000
  1 1 1      24   -1   13 o    10.76000      0.2160000       10.23000 0.3187000       11.29000      0.2917000      -1.061000      0.4320000
  1 1 1      24   -1   14 o    7.113000      0.2169000       7.481000 0.3251000       6.745000      0.2873000      0.7355000      0.4339000
  1 1 1      24   -1   15 o    7.635000      0.2059000       8.018000 0.3103000       7.252000      0.2707000      0.7663000      0.4118000
  1 1 1      24   -1   16 o    10.86000      0.2068000       10.66000 0.3007000       11.06000      0.2839000     -0.4012000      0.4136000
  1 1 1      24   -1   17 o    4.867000      0.2549000       5.041000 0.3828000       4.692000      0.3368000      0.3492000      0.5099000
  1 1 1      24   -1   18 o    6.457000      0.2132000       6.390000 0.3258000       6.525000      0.2751000     -0.1353000      0.4264000
  1 1 1      24   -1   19 o    1.788000      0.5036000       1.467000 0.6825000       2.109000      0.7407000     -0.6423000       1.007000
  1 1 1      24   -1   20 o    2.719000      0.5356000       3.322000 0.7649000       2.116000      0.7499000       1.206000       1.071000
  1 1 1      24   -1   21 o    1.955000      0.4673000       2.332000 0.6838000       1.579000      0.6369000      0.7527000      0.9345000
  1 1 1      24   -1   22 o    4.595000      0.4925000       4.849000 0.5944000       4.340000      0.7853000      0.5093000      0.9849000
  1 1 1      24   -1   23 o    2.177000      0.6457000       2.638000 0.9920000       1.716000      0.8269000      0.9220000       1.291000
  1 1 1      24   -1   24 o    1.689000      0.4693000       1.461000 0.6404000       1.916000      0.6862000     -0.4557000      0.9386000
  1 1 1      24   -1   25 o    1.816000      0.4780000       1.757000 0.7092000       1.875000      0.6411000     -0.1186000      0.9560000
  1 1 1      24   -1   26 o    1.357000      0.3824000       1.096000 0.5097000       1.619000      0.5702000     -0.5230000      0.7648000
  1 1 1      24    0    0 f    7.549000      0.2419000       8.133000 0.3316000       6.964000      0.3523000       1.169000      0.4838000
  1 1 1      24    0    1 o    11.01000      0.3416000       11.09000 0.5009000       10.93000      0.4646000      0.1619000      0.6832000
  1 1 1      24    0    2 o    9.434000      0.3405000       8.994000 0.5012000       9.875000      0.4609000     -0.8802000      0.6809000
  1 1 1      24    0    3 o    2.714000      0.4703000       3.687000 0.6430000       1.742000      0.6866000       1.946000      0.9407000
  1 1 1      24    0    4 o    4.624000      0.4406000       5.595000 0.7368000       3.653000      0.4833000       1.942000      0.8811000
  1 1 1      24    0    5 o    2.893000      0.6351000       3.110000 1.003000       2.676000      0.7793000      0.4345000       1.270000
  1 1 1      24    0    6 o    8.093000      0.2451000       8.137000 0.3700000       8.050000      0.3215000      0.8644000E-01  0.4902000
  1 1 1      24    0    7 o    6.254000      0.2613000       6.349000 0.4022000       6.158000      0.3338000      0.1906000      0.5227000
  1 1 1      24    0    8 o    5.811000      0.2724000       5.667000 0.4283000       5.956000      0.3366000     -0.2894000      0.5447000
  1 1 1      24    0    9 o    13.35000      0.2379000       13.08000 0.3454000       13.63000      0.3271000     -0.5496000      0.4757000
  1 1 1      24    0   10 o    13.86000      0.2416000       13.77000 0.3503000       13.95000      0.3328000     -0.1825000      0.4832000
  1 1 1      24    0   11 o    9.438000      0.2218000       9.389000 0.3331000       9.486000      0.2928000     -0.9633000E-01  0.4435000
  1 1 1      24    0   12 f    8.008000      0.2176000       8.116000 0.3265000       7.901000      0.2877000      0.2151000      0.4352000
  1 1 1      24    0   13 o    3.642000      0.3644000       3.356000 0.5899000       3.927000      0.4279000     -0.5706000      0.7288000
  1 1 1      24    0   14 o    7.019000      0.2168000       6.834000 0.3310000       7.204000      0.2800000     -0.3695000      0.4336000
  1 1 1      24    0   15 o    5.327000      0.2575000       5.244000 0.4056000       5.411000      0.3173000     -0.1670000      0.5150000
  1 1 1      24    0   16 o    4.151000      0.2941000       4.136000 0.4628000       4.167000      0.3630000     -0.3057000E-01  0.5882000
  1 1 1      24    0   17 o    4.477000      0.2609000       4.579000 0.4023000       4.376000      0.3324000      0.2022000      0.5218000
  1 1 1      24    0   18 o    3.629000      0.5108000       3.314000 0.8146000       3.944000      0.6165000     -0.6303000       1.022000
  1 1 1      24    0   19 o    3.167000      0.3396000       3.440000 0.4794000       2.893000      0.4810000      0.5475000      0.6791000
  1 1 1      24    0   20 o    6.522000      0.1948000       6.518000 0.2875000       6.525000      0.2629000     -0.6475000E-02  0.3896000
  1 1 1      24    0   21 o    2.257000      0.5020000       2.521000 0.7202000       1.992000      0.6997000      0.5289000       1.004000
  1 1 1      24    0   22 o    2.277000      0.4491000       2.731000 0.6181000       1.823000      0.6516000      0.9084000      0.8981000
  1 1 1      24    0   23 o    2.370000      0.4592000       2.940000 0.6308000       1.799000      0.6675000       1.141000      0.9184000
  1 1 1      24    0   24 o    1.256000      0.4060000       1.064000 0.5216000       1.448000      0.6223000     -0.3835000      0.8120000
  1 1 1      24    0   25 o    2.128000      0.5044000       2.209000 0.7485000       2.047000      0.6763000      0.1618000       1.009000
  1 1 1      24    0   26 o    1.177000      0.3665000       1.203000 0.5286000       1.152000      0.5078000      0.5134000E-01  0.7330000
  1 1 1      24    1    0 f    8.572000      0.2360000       8.871000 0.3269000       8.274000      0.3404000      0.5973000      0.4719000
  1 1 1      24    1    1 o    6.163000      0.3763000       6.151000 0.5395000       6.175000      0.5248000     -0.2480000E-01  0.7526000
  1 1 1      24    1    2 o    3.982000      0.3527000       4.033000 0.5039000       3.930000      0.4936000      0.1033000      0.7054000
  1 1 1      24    1    3 o    9.827000      0.2280000       9.611000 0.3279000       10.04000      0.3169000     -0.4337000      0.4560000
  1 1 1      24    1    4 o    2.094000      0.5418000       2.422000 0.7915000       1.766000      0.7401000      0.6554000       1.084000
  1 1 1      24    1    5 o    5.479000      0.3614000       5.170000 0.6234000       5.787000      0.3657000     -0.6169000      0.7227000
  1 1 1      24    1    6 o    9.928000      0.2312000       10.22000 0.3437000       9.633000      0.3095000      0.5899000      0.4625000
  1 1 1      24    1    7 o    16.07000      0.2636000       15.47000 0.3748000       16.67000      0.3708000      -1.198000      0.5272000
  1 1 1      24    1    8 o    4.366000      0.3359000       4.114000 0.5531000       4.619000      0.3814000     -0.5046000      0.6718000
  1 1 1      24    1    9 o    15.58000      0.2555000       15.80000 0.3740000       15.36000      0.3482000      0.4386000      0.5110000
  1 1 1      24    1   10 o    13.07000      0.2346000       13.00000 0.3426000       13.14000      0.3205000     -0.1409000      0.4691000
  1 1 1      24    1   11 o    5.431000      0.2685000       5.424000 0.4162000       5.438000      0.3392000     -0.1397000E-01  0.5369000
  1 1 1      24    1   12 o    6.132000      0.2440000       5.631000 0.3793000       6.634000      0.3072000      -1.003000      0.4881000
  1 1 1      24    1   13 o    7.163000      0.2285000       6.751000 0.3578000       7.575000      0.2842000     -0.8241000      0.4569000
  1 1 1      24    1   14 o    2.996000      0.4212000       2.950000 0.6624000       3.041000      0.5204000     -0.9080000E-01  0.8424000
  1 1 1      24    1   15 o    7.301000      0.2137000       7.703000 0.3217000       6.899000      0.2815000      0.8039000      0.4275000
  1 1 1      24    1   16 o    3.757000      0.3239000       3.520000 0.5324000       3.995000      0.3691000     -0.4754000      0.6478000
  1 1 1      24    1   17 o    6.015000      0.3438000       6.089000 0.5176000       5.941000      0.4526000      0.1477000      0.6875000
  1 1 1      24    1   18 o    7.429000      0.1989000       7.434000 0.3008000       7.423000      0.2604000      0.1139000E-01  0.3978000
  1 1 1      24    1   19 o    2.421000      0.3822000       3.338000 0.4977000       1.503000      0.5801000       1.835000      0.7643000
  1 1 1      24    1   20 o    8.238000      0.2356000       8.274000 0.3489000       8.203000      0.3166000      0.7092000E-01  0.4711000
  1 1 1      24    1   21 f    8.583000      0.1810000       8.337000 0.2648000       8.829000      0.2468000     -0.4919000      0.3620000
  1 1 1      24    1   22 o    4.727000      0.3437000       4.727000 0.3437000                  ?              ?              ?              ?
  1 1 1      24    1   23 o    1.498000      0.4362000       1.371000 0.5982000       1.625000      0.6351000     -0.2546000      0.8725000
  1 1 1      24    1   24 o    1.516000      0.6254000                  ?       ?   1.516000      0.6254000                  ?              ?
  1 1 1      24    1   25 o    2.379000      0.4771000       2.276000 0.7099000       2.482000      0.6377000     -0.2059000      0.9543000
  1 1 1      24    1   26 o    1.180000      0.3528000       1.254000 0.5215000       1.106000      0.4753000      0.1481000      0.7057000
  1 1 1      24    2    0 o    7.472000      0.3807000       7.087000 0.5566000       7.857000      0.5194000     -0.7702000      0.7613000
  1 1 1      24    2    1 o    16.13000      0.2684000       16.27000 0.3827000       15.98000      0.3765000      0.2883000      0.5369000
  1 1 1      24    2    2 o    7.489000      0.2418000       7.410000 0.3436000       7.567000      0.3404000     -0.1564000      0.4836000
  1 1 1      24    2    3 o    12.78000      0.3260000       12.68000 0.4514000       12.88000      0.4705000     -0.1988000      0.6521000
  1 1 1      24    2    4 o    7.663000      0.2336000       7.596000 0.3273000       7.729000      0.3334000     -0.1321000      0.4672000
  1 1 1      24    2    5 o    2.344000      0.4865000       2.370000 0.6646000       2.318000      0.7106000      0.5121000E-01  0.9729000
  1 1 1      24    2    6 o    14.54000      0.2443000       14.40000 0.3447000       14.68000      0.3463000     -0.2870000      0.4886000
  1 1 1      24    2    7 o    14.85000      0.2458000       14.76000 0.3475000       14.95000      0.3476000     -0.1894000      0.4915000
  1 1 1      24    2    8 o    7.659000      0.2128000       7.565000 0.2966000       7.754000      0.3053000     -0.1887000      0.4256000
  1 1 1      24    2    9 o    3.051000      0.4973000       2.530000 0.8621000       3.572000      0.4959000      -1.041000      0.9946000
  1 1 1      24    2   10 o    7.105000      0.2323000       7.094000 0.3487000       7.117000      0.3071000     -0.2345000E-01  0.4647000
  1 1 1      24    2   11 o    6.185000      0.2457000       6.673000 0.3692000       5.698000      0.3244000      0.9751000      0.4915000
  1 1 1      24    2   12 o    10.74000      0.2187000       10.33000 0.3221000       11.15000      0.2960000     -0.8131000      0.4374000
  1 1 1      24    2   13 o    7.501000      0.2193000       7.709000 0.3303000       7.293000      0.2885000      0.4163000      0.4386000
  1 1 1      24    2   14 o    5.336000      0.2647000       4.866000 0.4245000       5.807000      0.3162000     -0.9411000      0.5293000
  1 1 1      24    2   15 f    9.060000      0.2066000       8.983000 0.3089000       9.138000      0.2744000     -0.1552000      0.4132000
  1 1 1      24    2   16 o    6.395000      0.3323000       6.347000 0.4905000       6.444000      0.4483000     -0.9770000E-01  0.6645000
  1 1 1      24    2   17 o    11.42000      0.2082000       11.68000 0.3094000       11.16000      0.2789000      0.5198000      0.4165000
  1 1 1      24    2   18 o    5.764000      0.2255000       5.509000 0.3557000       6.018000      0.2772000     -0.5092000      0.4509000
  1 1 1      24    2   19 o    5.742000      0.2621000       5.414000 0.4131000       6.071000      0.3227000     -0.6571000      0.5242000
  1 1 1      24    2   20 o    1.387000      0.4083000       1.468000 0.6089000       1.307000      0.5441000      0.1612000      0.8165000
  1 1 1      24    2   21 o    8.172000      0.1789000       7.908000 0.2638000       8.435000      0.2416000     -0.5266000      0.3577000
  1 1 1      24    2   22 o    2.077000      0.4697000       1.933000 0.5995000       2.220000      0.7232000     -0.2870000      0.9394000
  1 1 1      24    2   23 o    5.634000      0.1983000       5.757000 0.2865000       5.511000      0.2742000      0.2463000      0.3966000
  1 1 1      24    2   24 o    2.196000      0.4343000       2.115000 0.6042000       2.277000      0.6239000     -0.1615000      0.8685000
  1 1 1      24    2   25 o    4.073000      0.2894000       3.925000 0.4630000       4.221000      0.3474000     -0.2963000      0.5789000
  1 1 1      24    3    0 o    12.16000      0.3465000       12.01000 0.4971000       12.30000      0.4827000     -0.2844000      0.6929000
  1 1 1      24    3    1 o    24.55000      0.3570000       24.63000 0.5076000       24.46000      0.5021000      0.1718000      0.7139000
  1 1 1      24    3    2 o    4.360000      0.4682000       3.935000 0.6906000       4.784000      0.6322000     -0.8496000      0.9363000
  1 1 1      24    3    3 o    4.780000      0.4214000       4.240000 0.6125000       5.319000      0.5788000      -1.079000      0.8427000
  1 1 1      24    3    4 o    11.38000      0.2280000       11.28000 0.3267000       11.49000      0.3182000     -0.2042000      0.4560000
  1 1 1      24    3    5 o    7.323000      0.2343000       7.160000 0.3293000       7.487000      0.3333000     -0.3278000      0.4686000
  1 1 1      24    3    6 o    13.66000      0.2375000       13.52000 0.3338000       13.81000      0.3379000     -0.2906000      0.4750000
  1 1 1      24    3    7 o    1.496000      0.4173000      0.9120000 0.4519000       2.081000      0.7017000      -1.169000      0.8346000
  1 1 1      24    3    8 o    14.15000      0.2376000       13.76000 0.3305000       14.54000      0.3414000     -0.7756000      0.4752000
  1 1 1      24    3    9 o    2.099000      0.4713000       2.050000 0.6495000       2.147000      0.6831000     -0.9694000E-01  0.9425000
  1 1 1      24    3   10 o    4.310000      0.2799000       4.347000 0.3844000       4.273000      0.4070000      0.7437000E-01  0.5599000
  1 1 1      24    3   11 o    16.25000      0.2522000       16.21000 0.3566000       16.28000      0.3566000     -0.6762000E-01  0.5044000
  1 1 1      24    3   12 o    17.30000      0.3300000       17.24000 0.5457000       17.35000      0.3714000     -0.1135000      0.6601000
  1 1 1      24    3   13 o    8.566000      0.2173000       8.082000 0.3313000       9.051000      0.2812000     -0.9687000      0.4345000
  1 1 1      24    3   14 o    8.158000      0.2164000       7.995000 0.3292000       8.320000      0.2810000     -0.3247000      0.4328000
  1 1 1      24    3   15 o    11.48000      0.3089000       11.08000 0.4429000       11.87000      0.4306000     -0.7933000      0.6177000
  1 1 1      24    3   16 o    7.677000      0.3005000       7.944000 0.4461000       7.410000      0.4029000      0.5336000      0.6011000
  1 1 1      24    3   17 o    10.65000      0.2038000       11.01000 0.3063000       10.30000      0.2690000      0.7028000      0.4076000
  1 1 1      24    3   18 o    6.849000      0.2684000       6.689000 0.4193000       7.009000      0.3352000     -0.3200000      0.5368000
  1 1 1      24    3   19 o    1.709000      0.4224000       2.255000 0.6687000       1.163000      0.5164000       1.093000      0.8449000
  1 1 1      24    3   20 f    6.435000      0.1949000       6.141000 0.3017000       6.730000      0.2467000     -0.5886000      0.3898000
  1 1 1      24    3   21 o    3.784000      0.2601000       3.490000 0.4253000       4.078000      0.2995000     -0.5882000      0.5202000
  1 1 1      24    3   22 o    3.905000      0.2299000       3.823000 0.3582000       3.988000      0.2884000     -0.1647000      0.4599000
  1 1 1      24    3   23 o    7.280000      0.2092000       7.344000 0.2396000       7.215000      0.3431000      0.1284000      0.4185000
  1 1 1      24    3   24 o    4.063000      0.2458000       4.589000 0.3095000       3.537000      0.3819000       1.052000      0.4916000
  1 1 1      24    4    0 o    11.10000      0.2401000       10.99000 0.3430000       11.21000      0.3361000     -0.2194000      0.4802000
  1 1 1      24    4    1 o    7.809000      0.2478000       7.386000 0.3630000       8.233000      0.3375000     -0.8466000      0.4957000
  1 1 1      24    4    2 o    5.011000      0.4238000       5.391000 0.5606000       4.631000      0.6357000      0.7601000      0.8476000
  1 1 1      24    4    3 o    5.005000      0.2974000       5.161000 0.4167000       4.850000      0.4246000      0.3107000      0.5949000
  1 1 1      24    4    4 o    21.60000      0.3201000       21.76000 0.4559000       21.45000      0.4495000      0.3078000      0.6402000
  1 1 1      24    4    5 o    13.40000      0.2393000       13.55000 0.3421000       13.24000      0.3348000      0.3088000      0.4787000
  1 1 1      24    4    6 o    4.405000      0.3047000       4.362000 0.4290000       4.448000      0.4328000     -0.8678000E-01  0.6094000
  1 1 1      24    4    7 f    4.544000      0.2945000       4.243000 0.4287000       4.844000      0.4038000     -0.6008000      0.5889000
  1 1 1      24    4    8 o    7.262000      0.2211000       7.058000 0.3164000       7.466000      0.3088000     -0.4078000      0.4421000
  1 1 1      24    4    9 o    3.362000      0.3739000       3.002000 0.5635000       3.722000      0.4917000     -0.7200000      0.7479000
  1 1 1      24    4   10 o    7.974000      0.2139000       7.770000 0.3021000       8.178000      0.3029000     -0.4080000      0.4278000
  1 1 1      24    4   11 o    16.41000      0.2554000       16.26000 0.3583000       16.56000      0.3640000     -0.2996000      0.5107000
  1 1 1      24    4   12 o    7.927000      0.2063000       7.948000 0.2907000       7.906000      0.2928000      0.4166000E-01  0.4126000
  1 1 1      24    4   13 o    8.466000      0.2004000       8.318000 0.2809000       8.615000      0.2857000     -0.2969000      0.4007000
  1 1 1      24    4   14 o    6.564000      0.2112000       6.415000 0.2964000       6.714000      0.3008000     -0.2988000      0.4223000
  1 1 1      24    4   15 o    10.66000      0.2966000       10.61000 0.4329000       10.72000      0.4056000     -0.1136000      0.5932000
  1 1 1      24    4   16 o    1.787000      0.4729000       2.003000 0.7220000       1.570000      0.6111000      0.4336000      0.9459000
  1 1 1      24    4   17 o    2.003000      0.4781000       2.208000 0.7270000       1.798000      0.6211000      0.4093000      0.9562000
  1 1 1      24    4   18 o    10.28000      0.2753000       9.601000 0.4097000       10.96000      0.3679000      -1.357000      0.5507000
  1 1 1      24    4   19 o    1.716000      0.3918000       1.169000 0.5445000       2.264000      0.5636000      -1.096000      0.7837000
  1 1 1      24    4   20 o    5.248000      0.2192000       4.902000 0.3490000       5.595000      0.2652000     -0.6928000      0.4383000
  1 1 1      24    4   21 o    2.729000      0.3574000       1.983000 0.6329000       3.476000      0.3324000      -1.493000      0.7149000
  1 1 1      24    4   22 o    6.698000      0.1633000       6.800000 0.2467000       6.596000      0.2141000      0.2043000      0.3267000
  1 1 1      24    4   23 o    6.210000      0.1566000       6.152000 0.2230000       6.267000      0.2198000     -0.1152000      0.3131000
  1 1 1      24    4   24 o    3.588000      0.4563000       3.588000 0.4563000                  ?              ?              ?              ?
  1 1 1      24    5    0 o    9.732000      0.2411000       9.602000 0.3435000       9.862000      0.3382000     -0.2592000      0.4821000
  1 1 1      24    5    1 o    5.012000      0.4470000       5.004000 0.6270000       5.019000      0.6373000     -0.1567000E-01  0.8940000
  1 1 1      24    5    2 o    2.475000      0.6099000       2.647000 0.8894000       2.303000      0.8346000      0.3446000       1.220000
  1 1 1      24    5    3 o    9.843000      0.2293000       9.762000 0.3222000       9.924000      0.3264000     -0.1616000      0.4587000
  1 1 1      24    5    4 o    15.46000      0.2569000       15.56000 0.3656000       15.35000      0.3611000      0.2047000      0.5138000
  1 1 1      24    5    5 o    6.282000      0.2564000       6.363000 0.3592000       6.201000      0.3659000      0.1625000      0.5127000
  1 1 1      24    5    6 o    16.40000      0.2620000       16.46000 0.3715000       16.34000      0.3696000      0.1193000      0.5241000
  1 1 1      24    5    7 f    5.016000      0.2848000       5.157000 0.3969000       4.876000      0.4086000      0.2812000      0.5696000
  1 1 1      24    5    8 o    2.685000      0.4604000       2.557000 0.6610000       2.813000      0.6410000     -0.2559000      0.9208000
  1 1 1      24    5    9 o    6.369000      0.2376000       6.489000 0.3289000       6.248000      0.3431000      0.2403000      0.4753000
  1 1 1      24    5   10 o    7.149000      0.2201000       6.918000 0.3142000       7.380000      0.3084000     -0.4622000      0.4403000
  1 1 1      24    5   11 o    9.004000      0.2086000       8.723000 0.2931000       9.285000      0.2970000     -0.5622000      0.4173000
  1 1 1      24    5   12 o    7.352000      0.2102000       7.310000 0.2925000       7.395000      0.3018000     -0.8505000E-01  0.4203000
  1 1 1      24    5   13 o    4.844000      0.2551000       5.043000 0.3428000       4.645000      0.3780000      0.3979000      0.5103000
  1 1 1      24    5   14 o    3.025000      0.5856000       3.210000 0.8439000       2.839000      0.8120000      0.3715000       1.171000
  1 1 1      24    5   15 o    5.091000      0.3749000       5.142000 0.5644000       5.039000      0.4937000      0.1027000      0.7498000
  1 1 1      24    5   16 o    8.476000      0.1894000       8.526000 0.2703000       8.427000      0.2654000      0.9875000E-01  0.3788000
  1 1 1      24    5   17 o    7.122000      0.2403000       6.892000 0.3263000       7.352000      0.3529000     -0.4593000      0.4806000
  1 1 1      24    5   18 o    7.023000      0.2114000       7.153000 0.3290000       6.893000      0.2657000      0.2602000      0.4229000
  1 1 1      24    5   19 o    5.589000      0.2168000       5.807000 0.3340000       5.371000      0.2764000      0.4359000      0.4336000
  1 1 1      24    5   20 o    8.710000      0.1792000       8.991000 0.2679000       8.429000      0.2380000      0.5625000      0.3583000
  1 1 1      24    5   21 o    2.230000      0.3841000       1.833000 0.6360000       2.627000      0.4307000     -0.7942000      0.7682000
  1 1 1      24    5   22 o    3.232000      0.2611000       3.474000 0.4057000       2.990000      0.3288000      0.4836000      0.5222000
  1 1 1      24    5   23 o    4.139000      0.2803000       4.139000 0.2803000                  ?              ?              ?              ?
  1 1 1      24    6    0 o    5.254000      0.3152000       5.158000 0.4409000       5.350000      0.4506000     -0.1923000      0.6304000
  1 1 1      24    6    1 o    7.588000      0.3474000       7.533000 0.4875000       7.643000      0.4951000     -0.1095000      0.6948000
  1 1 1      24    6    2 o    5.011000      0.4379000       4.902000 0.6286000       5.120000      0.6099000     -0.2188000      0.8759000
  1 1 1      24    6    3 o    9.437000      0.2301000       9.300000 0.3281000       9.573000      0.3227000     -0.2726000      0.4602000
  1 1 1      24    6    4 o    4.155000      0.3537000       4.056000 0.5134000       4.255000      0.4867000     -0.1984000      0.7074000
  1 1 1      24    6    5 o    4.746000      0.3103000       4.460000 0.4456000       5.032000      0.4321000     -0.5717000      0.6207000
  1 1 1      24    6    6 o    4.328000      0.3281000       3.846000 0.5031000       4.809000      0.4215000     -0.9627000      0.6563000
  1 1 1      24    6    7 o    15.42000      0.2517000       15.31000 0.3531000       15.52000      0.3587000     -0.2074000      0.5033000
  1 1 1      24    6    8 o    6.116000      0.2448000       6.157000 0.3403000       6.076000      0.3520000      0.8028000E-01  0.4896000
  1 1 1      24    6    9 o    10.02000      0.2152000       10.07000 0.3012000       9.969000      0.3075000      0.9624000E-01  0.4304000
  1 1 1      24    6   10 o    8.780000      0.2127000       8.639000 0.2972000       8.920000      0.3044000     -0.2817000      0.4255000
  1 1 1      24    6   11 o    5.504000      0.2548000       5.372000 0.3598000       5.635000      0.3610000     -0.2631000      0.5097000
  1 1 1      24    6   12 o    2.652000      0.4352000       3.142000 0.5459000       2.163000      0.6779000      0.9782000      0.8703000
  1 1 1      24    6   13 o    4.699000      0.2741000       4.459000 0.4051000       4.938000      0.3695000     -0.4794000      0.5483000
  1 1 1      24    6   14 o    6.414000      0.3496000       6.501000 0.5183000       6.327000      0.4692000      0.1740000      0.6991000
  1 1 1      24    6   15 o    8.341000      0.2528000       8.531000 0.4305000       8.151000      0.2652000      0.3800000      0.5057000
  1 1 1      24    6   16 o    8.323000      0.1912000       8.344000 0.2736000       8.301000      0.2673000      0.4263000E-01  0.3825000
  1 1 1      24    6   17 o    7.838000      0.2469000       7.935000 0.3359000       7.740000      0.3620000      0.1951000      0.4938000
  1 1 1      24    6   18 o    3.583000      0.2730000       3.532000 0.3855000       3.634000      0.3866000     -0.1017000      0.5460000
  1 1 1      24    6   19 o    16.05000      0.2367000       16.14000 0.3369000       15.97000      0.3327000      0.1614000      0.4735000
  1 1 1      24    6   20 o    9.750000      0.2078000       9.404000 0.3343000       10.10000      0.2470000     -0.6932000      0.4157000
  1 1 1      24    6   21 f    4.069000      0.2829000       3.833000 0.4182000       4.304000      0.3810000     -0.4707000      0.5657000
  1 1 1      24    6   22 o    4.239000      0.2204000       3.738000 0.3776000       4.741000      0.2273000      -1.003000      0.4407000
  1 1 1      24    6   23 o    5.742000      0.2074000       5.882000 0.3517000       5.602000      0.2200000      0.2799000      0.4148000
  1 1 1      24    7    0 o    14.47000      0.2582000       14.33000 0.3627000       14.62000      0.3677000     -0.2951000      0.5164000
  1 1 1      24    7    1 o    10.88000      0.3390000       11.46000 0.4717000       10.30000      0.4871000       1.158000      0.6781000
  1 1 1      24    7    2 o    7.475000      0.2574000       7.585000 0.3606000       7.366000      0.3675000      0.2194000      0.5149000
  1 1 1      24    7    3 o    12.18000      0.2392000       11.86000 0.3343000       12.49000      0.3424000     -0.6324000      0.4785000
  1 1 1      24    7    4 o    3.020000      0.4891000       3.290000 0.6414000       2.749000      0.7386000      0.5418000      0.9782000
  1 1 1      24    7    5 o    9.309000      0.2315000       9.313000 0.3218000       9.305000      0.3327000      0.8703000E-02  0.4629000
  1 1 1      24    7    6 o    10.99000      0.2279000       10.96000 0.3209000       11.02000      0.3237000     -0.6362000E-01  0.4558000
  1 1 1      24    7    7 o    11.30000      0.2258000       11.24000 0.3181000       11.35000      0.3206000     -0.1095000      0.4516000
  1 1 1      24    7    8 o    9.005000      0.2219000       8.695000 0.3138000       9.316000      0.3136000     -0.6208000      0.4437000
  1 1 1      24    7    9 o    12.11000      0.2259000       11.89000 0.3172000       12.34000      0.3217000     -0.4490000      0.4518000
  1 1 1      24    7   10 o    10.11000      0.2154000       10.11000 0.3029000       10.11000      0.3064000     -0.3224000E-02  0.4308000
  1 1 1      24    7   11 o    4.081000      0.3286000       4.123000 0.4555000       4.040000      0.4736000      0.8248000E-01  0.6571000
  1 1 1      24    7   12 o    12.90000      0.2237000       12.75000 0.3146000       13.05000      0.3180000     -0.3010000      0.4473000
  1 1 1      24    7   13 o    9.023000      0.2058000       9.138000 0.2922000       8.908000      0.2898000      0.2299000      0.4115000
  1 1 1      24    7   14 o    9.531000      0.2952000       9.442000 0.4331000       9.621000      0.4012000     -0.1792000      0.5904000
  1 1 1      24    7   15 o    8.740000      0.1935000       8.412000 0.2728000       9.067000      0.2744000     -0.6548000      0.3870000
  1 1 1      24    7   16 o    5.808000      0.2185000       5.784000 0.3127000       5.833000      0.3051000     -0.4945000E-01  0.4369000
  1 1 1      24    7   17 o    12.46000      0.2888000       12.66000 0.4065000       12.25000      0.4103000      0.4095000      0.5775000
  1 1 1      24    7   18 o    6.871000      0.1898000       6.908000 0.2742000       6.834000      0.2624000      0.7472000E-01  0.3795000
  1 1 1      24    7   19 o    12.96000      0.2057000       13.30000 0.2976000       12.61000      0.2841000      0.6957000      0.4114000
  1 1 1      24    7   20 o    3.423000      0.2603000       3.656000 0.3526000       3.191000      0.3830000      0.4655000      0.5206000
  1 1 1      24    7   21 o    3.871000      0.3351000       3.358000 0.6142000       4.384000      0.2680000      -1.026000      0.6702000
  1 1 1      24    7   22 o    7.269000      0.1793000       7.603000 0.2948000       6.935000      0.2044000      0.6682000      0.3587000
  1 1 1      24    7   23 o    2.687000      0.2801000       2.520000 0.4832000       2.854000      0.2835000     -0.3333000      0.5603000
  1 1 1      24    8    0 o    15.95000      0.2708000       15.99000 0.3830000       15.92000      0.3830000      0.6694000E-01  0.5417000
  1 1 1      24    8    1 o    20.97000      0.4517000       20.87000 0.6325000       21.06000      0.6450000     -0.1928000      0.9033000
  1 1 1      24    8    2 f    9.608000      0.2454000       9.652000 0.3434000       9.563000      0.3506000      0.8955000E-01  0.4908000
  1 1 1      24    8    3 o    3.712000      0.4366000       3.740000 0.6150000       3.684000      0.6200000      0.5594000E-01  0.8733000
  1 1 1      24    8    4 o    2.763000      0.5899000       2.492000 0.7606000       3.034000      0.9020000     -0.5422000       1.180000
  1 1 1      24    8    5 o    12.31000      0.2366000       12.38000 0.3323000       12.25000      0.3370000      0.1277000      0.4733000
  1 1 1      24    8    6 o    2.199000      0.5274000       2.434000 0.7538000       1.963000      0.7379000      0.4714000       1.055000
  1 1 1      24    8    7 o    3.025000      0.4802000       2.961000 0.7024000       3.089000      0.6552000     -0.1286000      0.9605000
  1 1 1      24    8    8 o    6.588000      0.2551000       6.729000 0.3630000       6.446000      0.3584000      0.2829000      0.5101000
  1 1 1      24    8    9 o    6.998000      0.2379000       6.887000 0.3408000       7.109000      0.3320000     -0.2224000      0.4758000
  1 1 1      24    8   10 o    12.21000      0.2251000       12.14000 0.3172000       12.27000      0.3194000     -0.1233000      0.4502000
  1 1 1      24    8   11 o    8.835000      0.2169000       8.538000 0.3092000       9.131000      0.3043000     -0.5927000      0.4338000
  1 1 1      24    8   12 o    14.46000      0.2383000       14.18000 0.3340000       14.73000      0.3401000     -0.5468000      0.4766000
  1 1 1      24    8   13 o    5.579000      0.2539000       5.345000 0.3770000       5.814000      0.3401000     -0.4695000      0.5077000
  1 1 1      24    8   14 o    10.90000      0.2980000       10.67000 0.4352000       11.12000      0.4072000     -0.4462000      0.5961000
  1 1 1      24    8   15 o    9.631000      0.2868000       9.448000 0.4305000       9.813000      0.3792000     -0.3651000      0.5737000
  1 1 1      24    8   16 f    7.301000      0.1952000       7.396000 0.2802000       7.206000      0.2720000      0.1897000      0.3905000
  1 1 1      24    8   17 o    7.519000      0.2746000       7.879000 0.3728000       7.160000      0.4032000      0.7184000      0.5491000
  1 1 1      24    8   18 o    13.12000      0.2111000       13.21000 0.3016000       13.03000      0.2954000      0.1767000      0.4222000
  1 1 1      24    8   19 o    6.448000      0.1859000       6.422000 0.2689000       6.474000      0.2567000     -0.5234000E-01  0.3717000
  1 1 1      24    8   20 o    1.683000      0.4107000       1.547000 0.5935000       1.818000      0.5680000     -0.2707000      0.8215000
  1 1 1      24    8   21 o    2.518000      0.3243000       2.855000 0.4393000       2.180000      0.4772000      0.6751000      0.6486000
  1 1 1      24    8   22 o    9.381000      0.1613000       9.262000 0.2280000       9.500000      0.2283000     -0.2382000      0.3227000
  1 1 1      24    8   23 o    7.564000      0.1410000       7.443000 0.2017000       7.685000      0.1972000     -0.2416000      0.2821000
  1 1 1      24    8   24 o    1.868000      0.2772000       2.594000 0.3030000       1.141000      0.4642000       1.453000      0.5543000
  1 1 1      24    9    0 o    9.158000      0.2517000       9.140000 0.3560000       9.177000      0.3561000     -0.3778000E-01  0.5035000
  1 1 1      24    9    1 o    12.14000      0.3515000       12.10000 0.4873000       12.17000      0.5068000     -0.6923000E-01  0.7031000
  1 1 1      24    9    2 o    14.27000      0.2534000       14.32000 0.3587000       14.23000      0.3581000      0.8357000E-01  0.5069000
  1 1 1      24    9    3 o    10.67000      0.2366000       10.64000 0.3372000       10.69000      0.3320000     -0.4850000E-01  0.4733000
  1 1 1      24    9    4 o    6.585000      0.2762000       6.661000 0.3955000       6.509000      0.3857000      0.1523000      0.5524000
  1 1 1      24    9    5 o    10.61000      0.2334000       10.47000 0.3346000       10.74000      0.3254000     -0.2635000      0.4668000
  1 1 1      24    9    6 o    19.93000      0.3013000       19.52000 0.4198000       20.34000      0.4322000     -0.8175000      0.6026000
  1 1 1      24    9    7 f    11.11000      0.2282000       11.36000 0.3251000       10.86000      0.3204000      0.5038000      0.4565000
  1 1 1      24    9    8 o    5.454000      0.2801000       5.564000 0.3962000       5.343000      0.3961000      0.2209000      0.5602000
  1 1 1      24    9    9 o    2.643000      0.4982000       2.602000 0.7219000       2.685000      0.6867000     -0.8314000E-01  0.9963000
  1 1 1      24    9   10 o    8.799000      0.2224000       8.792000 0.3152000       8.806000      0.3139000     -0.1485000E-01  0.4448000
  1 1 1      24    9   11 o    14.97000      0.2444000       15.09000 0.3474000       14.85000      0.3438000      0.2358000      0.4888000
  1 1 1      24    9   12 o    17.06000      0.2646000       17.14000 0.3751000       16.98000      0.3732000      0.1616000      0.5291000
  1 1 1      24    9   13 o    14.92000      0.2414000       14.86000 0.3414000       14.97000      0.3413000     -0.1075000      0.4828000
  1 1 1      24    9   14 o    13.01000      0.3113000       13.31000 0.4568000       12.72000      0.4231000      0.5867000      0.6227000
  1 1 1      24    9   15 o    9.500000      0.2782000       9.602000 0.4180000       9.397000      0.3672000      0.2053000      0.5564000
  1 1 1      24    9   16 o    9.179000      0.1934000       9.309000 0.2793000       9.048000      0.2677000      0.2618000      0.3868000
  1 1 1      24    9   17 o    5.635000      0.2008000       5.523000 0.3005000       5.746000      0.2663000     -0.2237000      0.4015000
  1 1 1      24    9   18 f    16.38000      0.3481000       16.46000 0.4885000       16.30000      0.4961000      0.1620000      0.6962000
  1 1 1      24    9   19 o    7.616000      0.1824000       7.402000 0.2680000       7.829000      0.2476000     -0.4266000      0.3648000
  1 1 1      24    9   20 o    6.086000      0.1849000       5.908000 0.2813000       6.264000      0.2402000     -0.3566000      0.3699000
  1 1 1      24    9   21 o    3.277000      0.2881000       2.616000 0.4951000       3.938000      0.2947000      -1.322000      0.5761000
  1 1 1      24    9   22 o    6.723000      0.1588000       6.659000 0.2306000       6.787000      0.2183000     -0.1281000      0.3175000
  1 1 1      24    9   23 o    6.459000      0.1464000       6.889000 0.2086000       6.028000      0.2054000      0.8614000      0.2928000
  1 1 1      24    9   25 o    5.286000      0.1946000       5.729000 0.2426000       4.843000      0.3043000      0.8855000      0.3891000
  1 1 1      24   10    0 o    8.943000      0.2511000       9.050000 0.3574000       8.836000      0.3527000      0.2138000      0.5021000
  1 1 1      24   10    1 o    8.593000      0.3629000       8.368000 0.5114000       8.817000      0.5149000     -0.4490000      0.7257000
  1 1 1      24   10    2 o    17.56000      0.2826000       17.43000 0.3987000       17.69000      0.4005000     -0.2584000      0.5651000
  1 1 1      24   10    3 o    14.53000      0.2558000       14.50000 0.3642000       14.57000      0.3594000     -0.6491000E-01  0.5117000
  1 1 1      24   10    4 o    8.658000      0.2407000       8.357000 0.3527000       8.958000      0.3275000     -0.6012000      0.4814000
  1 1 1      24   10    5 o    8.782000      0.2380000       8.833000 0.3409000       8.730000      0.3324000      0.1022000      0.4761000
  1 1 1      24   10    6 o    7.811000      0.2438000       7.971000 0.3455000       7.650000      0.3440000      0.3208000      0.4875000
  1 1 1      24   10    7 o    3.707000      0.4139000       3.098000 0.6817000       4.317000      0.4694000      -1.219000      0.8277000
  1 1 1      24   10    8 o    12.26000      0.2294000       12.28000 0.3254000       12.23000      0.3235000      0.5328000E-01  0.4588000
  1 1 1      24   10    9 o    9.385000      0.2210000       9.354000 0.3157000       9.416000      0.3094000     -0.6148000E-01  0.4421000
  1 1 1      24   10   10 o    7.509000      0.2303000       7.429000 0.3343000       7.590000      0.3170000     -0.1612000      0.4607000
  1 1 1      24   10   11 o    6.296000      0.2417000       6.193000 0.3522000       6.399000      0.3312000     -0.2070000      0.4834000
  1 1 1      24   10   12 o    4.019000      0.3377000       3.925000 0.4938000       4.113000      0.4608000     -0.1882000      0.6754000
  1 1 1      24   10   13 o    11.87000      0.2186000       11.84000 0.3114000       11.90000      0.3069000     -0.6537000E-01  0.4372000
  1 1 1      24   10   14 o    6.654000      0.2258000       6.684000 0.3336000       6.623000      0.3043000      0.6033000E-01  0.4515000
  1 1 1      24   10   15 o    10.86000      0.2906000       10.62000 0.4263000       11.10000      0.3950000     -0.4801000      0.5812000
  1 1 1      24   10   16 f    7.147000      0.1984000       7.126000 0.2888000       7.167000      0.2723000     -0.4077000E-01  0.3969000
  1 1 1      24   10   17 o    7.618000      0.1967000       7.844000 0.2870000       7.392000      0.2691000      0.4520000      0.3935000
  1 1 1      24   10   18 o    6.821000      0.2936000       6.357000 0.4170000       7.286000      0.4134000     -0.9296000      0.5872000
  1 1 1      24   10   19 o    21.22000      0.4284000       21.17000 0.6009000       21.26000      0.6108000     -0.8926000E-01  0.8568000
  1 1 1      24   10   20 o    8.644000      0.1752000       8.802000 0.2531000       8.486000      0.2424000      0.3153000      0.3505000
  1 1 1      24   10   21 o    3.587000      0.2417000       3.825000 0.3418000       3.348000      0.3418000      0.4770000      0.4834000
  1 1 1      24   10   22 o    4.430000      0.1804000       4.631000 0.2620000       4.228000      0.2481000      0.4034000      0.3608000
  1 1 1      24   10   23 o    4.176000      0.1927000       4.056000 0.2787000       4.295000      0.2663000     -0.2394000      0.3854000
  1 1 1      24   10   24 o    4.175000      0.2888000       4.175000 0.2888000                  ?              ?              ?              ?
  1 1 1      24   10   25 o    1.595000      0.4470000       1.464000 0.5874000       1.726000      0.6738000     -0.2623000      0.8939000
  1 1 1      24   10   26 o    5.594000      0.2773000                  ?       ?   5.594000      0.2773000                  ?              ?
  1 1 1      24   11    0 o    8.749000      0.2587000       8.586000 0.3728000       8.912000      0.3588000     -0.3260000      0.5174000
  1 1 1      24   11    1 o    5.280000      0.4980000       5.467000 0.6895000       5.094000      0.7186000      0.3730000      0.9959000
  1 1 1      24   11    2 o    24.82000      0.5120000       25.06000 0.7263000       24.57000      0.7219000      0.4834000       1.024000
  1 1 1      24   11    3 o    10.81000      0.2413000       10.99000 0.3462000       10.64000      0.3363000      0.3538000      0.4826000
  1 1 1      24   11    4 o    5.464000      0.3098000       5.563000 0.4474000       5.366000      0.4286000      0.1970000      0.6195000
  1 1 1      24   11    5 o    3.542000      0.4456000       3.798000 0.6106000       3.286000      0.6493000      0.5118000      0.8913000
  1 1 1      24   11    6 f    5.091000      0.3125000       4.792000 0.4784000       5.391000      0.4022000     -0.5985000      0.6250000
  1 1 1      24   11    7 o    3.429000      0.4340000       3.802000 0.5516000       3.057000      0.6702000      0.7446000      0.8680000
  1 1 1      24   11    8 o    13.66000      0.2394000       13.78000 0.3416000       13.55000      0.3354000      0.2357000      0.4787000
  1 1 1      24   11    9 o    16.02000      0.2574000       16.11000 0.3660000       15.93000      0.3621000      0.1810000      0.5148000
  1 1 1      24   11   10 o    3.877000      0.3739000       3.330000 0.6097000       4.423000      0.4329000      -1.093000      0.7478000
  1 1 1      24   11   11 o    4.272000      0.3287000       4.828000 0.4307000       3.716000      0.4966000       1.112000      0.6574000
  1 1 1      24   11   12 o    11.42000      0.2200000       11.58000 0.3146000       11.26000      0.3075000      0.3246000      0.4399000
  1 1 1      24   11   13 o    3.280000      0.4116000       3.308000 0.6051000       3.252000      0.5581000      0.5573000E-01  0.8232000
  1 1 1      24   11   14 o    7.630000      0.2187000       7.756000 0.3158000       7.504000      0.3028000      0.2525000      0.4375000
  1 1 1      24   11   15 o    7.656000      0.2356000       7.582000 0.3007000       7.731000      0.3627000     -0.1490000      0.4711000
  1 1 1      24   11   16 o    10.94000      0.2731000       11.24000 0.4092000       10.63000      0.3617000      0.6108000      0.5461000
  1 1 1      24   11   17 o    5.895000      0.2146000       6.102000 0.3117000       5.688000      0.2952000      0.4141000      0.4293000
  1 1 1      24   11   18 o    2.828000      0.3554000       3.094000 0.5141000       2.561000      0.4910000      0.5331000      0.7109000
  1 1 1      24   11   19 o    16.99000      0.3622000       16.95000 0.5036000       17.03000      0.5207000     -0.7895000E-01  0.7243000
  1 1 1      24   11   20 o    4.591000      0.3811000       4.654000 0.4820000       4.529000      0.5906000      0.1248000      0.7623000
  1 1 1      24   11   21 f    5.124000      0.1782000       5.231000 0.2627000       5.017000      0.2407000      0.2142000      0.3563000
  1 1 1      24   11   22 o    6.572000      0.1650000       6.792000 0.2362000       6.351000      0.2304000      0.4411000      0.3299000
  1 1 1      24   11   23 o    5.596000      0.1751000       5.572000 0.2397000       5.620000      0.2554000     -0.4819000E-01  0.3503000
  1 1 1      24   11   24 o    1.576000      0.4137000       1.027000 0.4853000       2.126000      0.6702000      -1.099000      0.8275000
  1 1 1      24   11   25 o    4.042000      0.3352000       4.196000 0.4055000       3.889000      0.5338000      0.3070000      0.6703000
  1 1 1      24   11   26 o    3.466000      0.4634000                  ?       ?   3.466000      0.4634000                  ?              ?
  1 1 1      24   11   27 o    1.552000      0.4163000       1.565000 0.5897000       1.538000      0.5879000      0.2660000E-01  0.8326000
  1 1 1      24   11   28 o    2.076000      0.3588000       2.084000 0.5217000       2.069000      0.4926000      0.1495000E-01  0.7175000
  1 1 1      24   11   29 f    1.609000      0.6048000       1.609000 0.6048000                  ?              ?              ?              ?
  1 1 1      24   12    0 o    11.86000      0.2528000       12.04000 0.3655000       11.69000      0.3493000      0.3541000      0.5056000
  1 1 1      24   12    1 o    7.949000      0.3829000       8.076000 0.5314000       7.822000      0.5515000      0.2536000      0.7659000
  1 1 1      24   12    2 f    16.04000      0.3862000       16.49000 0.5491000       15.60000      0.5431000      0.8849000      0.7723000
  1 1 1      24   12    3 o    4.847000      0.3545000       4.488000 0.5398000       5.206000      0.4596000     -0.7182000      0.7089000
  1 1 1      24   12    4 o    9.445000      0.2416000       9.517000 0.3510000       9.373000      0.3320000      0.1441000      0.4832000
  1 1 1      24   12    5 o    4.511000      0.3531000       5.011000 0.4675000       4.012000      0.5294000      0.9994000      0.7063000
  1 1 1      24   12    6 o    6.572000      0.2697000       6.104000 0.4061000       7.039000      0.3551000     -0.9349000      0.5395000
  1 1 1      24   12    7 o    3.883000      0.4146000       4.460000 0.5132000       3.307000      0.6513000       1.153000      0.8292000
  1 1 1      24   12    8 o    6.805000      0.3115000       6.634000 0.5196000       6.976000      0.3439000     -0.3416000      0.6231000
  1 1 1      24   12    9 o    11.83000      0.2307000       11.92000 0.3303000       11.74000      0.3222000      0.1738000      0.4614000
  1 1 1      24   12   10 o    14.37000      0.2428000       14.13000 0.3426000       14.61000      0.3441000     -0.4807000      0.4856000
  1 1 1      24   12   11 o    4.480000      0.3153000       4.430000 0.4638000       4.530000      0.4272000     -0.1003000      0.6305000
  1 1 1      24   12   12 o    5.605000      0.2705000       5.599000 0.4019000       5.611000      0.3623000     -0.1244000E-01  0.5411000
  1 1 1      24   12   13 o    11.22000      0.2161000       11.26000 0.3089000       11.19000      0.3023000      0.7758000E-01  0.4322000
  1 1 1      24   12   14 o    2.363000      0.4913000       2.482000 0.7165000       2.243000      0.6726000      0.2391000      0.9827000
  1 1 1      24   12   15 o    7.668000      0.2111000       7.857000 0.3085000       7.479000      0.2882000      0.3772000      0.4222000
  1 1 1      24   12   16 o    6.308000      0.2845000       6.478000 0.4369000       6.137000      0.3644000      0.3410000      0.5690000
  1 1 1      24   12   17 o    6.729000      0.2596000       6.968000 0.4152000       6.490000      0.3118000      0.4774000      0.5192000
  1 1 1      24   12   18 o    5.638000      0.2055000       5.798000 0.3077000       5.479000      0.2725000      0.3185000      0.4110000
  1 1 1      24   12   19 o    8.523000      0.1817000       8.737000 0.2596000       8.308000      0.2543000      0.4292000      0.3634000
  1 1 1      24   12   20 o    4.015000      0.4633000       3.856000 0.6407000       4.174000      0.6694000     -0.3176000      0.9266000
  1 1 1      24   12   21 o    7.967000      0.2969000       8.127000 0.3854000       7.806000      0.4518000      0.3211000      0.5939000
  1 1 1      24   12   22 o    9.033000      0.1725000       9.387000 0.2420000       8.678000      0.2458000      0.7089000      0.3450000
  1 1 1      24   12   23 f    6.134000      0.1965000       6.221000 0.2573000       6.048000      0.2970000      0.1733000      0.3929000
  1 1 1      24   12   24 o    1.994000      0.4906000       2.330000 0.6525000       1.657000      0.7328000      0.6734000      0.9812000
  1 1 1      24   12   25 o    3.889000      0.3852000       4.192000 0.4336000       3.585000      0.6367000      0.6065000      0.7703000
  1 1 1      24   12   26 o    1.351000      0.4082000      0.9177000 0.4569000       1.783000      0.6765000     -0.8657000      0.8164000
  1 1 1      24   12   27 o    2.155000      0.4066000       1.490000 0.6129000       2.821000      0.5343000      -1.331000      0.8131000
  1 1 1      24   12   28 o    1.170000      0.3680000       1.324000 0.5551000       1.015000      0.4834000      0.3091000      0.7360000
  1 1 1      24   12   29 o    2.316000      0.3670000       2.086000 0.5574000       2.547000      0.4775000     -0.4612000      0.7340000
  1 1 1      24   13    0 o    16.51000      0.2794000       16.78000 0.4024000       16.24000      0.3876000      0.5490000      0.5587000
  1 1 1      24   13    1 o    11.73000      0.2509000       12.00000 0.3630000       11.46000      0.3465000      0.5407000      0.5018000
  1 1 1      24   13    2 o    10.57000      0.3685000       10.16000 0.5276000       10.97000      0.5147000     -0.8050000      0.7371000
  1 1 1      24   13    3 o    7.338000      0.4084000       6.690000 0.5969000       7.986000      0.5576000      -1.296000      0.8168000
  1 1 1      24   13    4 o    8.747000      0.2495000       8.480000 0.3668000       9.014000      0.3384000     -0.5347000      0.4990000
  1 1 1      24   13    5 o    12.11000      0.2414000       12.21000 0.3463000       12.01000      0.3364000      0.1973000      0.4828000
  1 1 1      24   13    6 o    12.43000      0.2379000       12.34000 0.3411000       12.53000      0.3318000     -0.1894000      0.4758000
  1 1 1      24   13    7 o    5.870000      0.2893000       5.878000 0.4217000       5.863000      0.3962000      0.1454000E-01  0.5786000
  1 1 1      24   13    8 o    13.10000      0.2395000       13.14000 0.3407000       13.07000      0.3367000      0.7481000E-01  0.4790000
  1 1 1      24   13    9 o    14.74000      0.2478000       14.73000 0.3507000       14.75000      0.3501000     -0.1403000E-01  0.4955000
  1 1 1      24   13   10 o    27.30000      0.3841000       27.24000 0.5420000       27.37000      0.5445000     -0.1300000      0.7683000
  1 1 1      24   13   11 o    9.165000      0.2216000       9.246000 0.3176000       9.083000      0.3090000      0.1626000      0.4431000
  1 1 1      24   13   12 o    13.64000      0.2330000       13.71000 0.3297000       13.56000      0.3294000      0.1485000      0.4661000
  1 1 1      24   13   13 o    16.91000      0.2618000       17.04000 0.3714000       16.77000      0.3691000      0.2701000      0.5236000
  1 1 1      24   13   14 o    11.42000      0.2166000       11.42000 0.3107000       11.41000      0.3018000      0.1535000E-01  0.4331000
  1 1 1      24   13   15 o    13.48000      0.2257000       13.41000 0.3219000       13.54000      0.3164000     -0.1272000      0.4513000
  1 1 1      24   13   16 o    11.63000      0.2112000       11.48000 0.3004000       11.79000      0.2970000     -0.3150000      0.4224000
  1 1 1      24   13   17 o    2.591000      0.4175000       2.430000 0.6530000       2.753000      0.5203000     -0.3234000      0.8350000
  1 1 1      24   13   18 o    9.250000      0.2427000       9.186000 0.3685000       9.314000      0.3158000     -0.1279000      0.4853000
  1 1 1      24   13   19 o    5.029000      0.2582000       5.153000 0.4051000       4.904000      0.3201000      0.2494000      0.5163000
  1 1 1      24   13   20 o    5.899000      0.1797000       5.928000 0.2646000       5.869000      0.2434000      0.5912000E-01  0.3595000
  1 1 1      24   13   21 o    2.237000      0.3720000       2.760000 0.4841000       1.714000      0.5649000       1.045000      0.7440000
  1 1 1      24   13   22 o    3.816000      0.4758000       3.781000 0.6072000       3.850000      0.7326000     -0.6885000E-01  0.9515000
  1 1 1      24   13   23 o    6.114000      0.3330000       6.230000 0.4014000       5.998000      0.5314000      0.2315000      0.6659000
  1 1 1      24   13   24 o    2.167000      0.4683000       2.725000 0.6303000       1.608000      0.6928000       1.118000      0.9366000
  1 1 1      24   13   25 o    2.103000      0.4998000       2.579000 0.6807000       1.627000      0.7320000      0.9516000      0.9996000
  1 1 1      24   13   26 o    2.289000      0.5046000       1.922000 0.7068000       2.655000      0.7202000     -0.7328000       1.009000
  1 1 1      24   13   27 o    2.310000      0.4700000       1.934000 0.6879000       2.687000      0.6406000     -0.7527000      0.9400000
  1 1 1      24   13   28 o    1.942000      0.4565000       1.702000 0.6427000       2.181000      0.6484000     -0.4796000      0.9130000
  1 1 1      24   13   29 o    1.389000      0.4110000       1.452000 0.5940000       1.325000      0.5683000      0.1278000      0.8221000
  1 1 1      24   14    0 o    10.89000      0.3522000       10.56000 0.5181000       11.21000      0.4772000     -0.6540000      0.7044000
  1 1 1      24   14    1 o    9.751000      0.2549000       10.04000 0.3651000       9.466000      0.3557000      0.5711000      0.5097000
  1 1 1      24   14    2 o    5.292000      0.3421000       5.142000 0.5075000       5.442000      0.4589000     -0.2998000      0.6842000
  1 1 1      24   14    3 o    6.349000      0.4476000       6.365000 0.5924000       6.334000      0.6712000      0.3068000E-01  0.8952000
  1 1 1      24   14    4 o    4.687000      0.3731000       4.506000 0.5735000       4.869000      0.4776000     -0.3636000      0.7463000
  1 1 1      24   14    5 o    10.99000      0.2375000       11.39000 0.3453000       10.59000      0.3261000      0.7960000      0.4749000
  1 1 1      24   14    6 o    2.137000      0.5316000       1.983000 0.7701000       2.291000      0.7331000     -0.3077000       1.063000
  1 1 1      24   14    7 o    6.075000      0.2786000       5.767000 0.4230000       6.384000      0.3628000     -0.6165000      0.5573000
  1 1 1      24   14    8 o    6.024000      0.2734000       5.979000 0.4069000       6.069000      0.3654000     -0.8935000E-01  0.5469000
  1 1 1      24   14    9 o    14.48000      0.2465000       14.42000 0.3485000       14.54000      0.3488000     -0.1288000      0.4931000
  1 1 1      24   14   10 o    19.65000      0.2933000       19.57000 0.4136000       19.72000      0.4161000     -0.1479000      0.5867000
  1 1 1      24   14   11 o    3.312000      0.4294000       3.682000 0.5661000       2.941000      0.6458000      0.7410000      0.8588000
  1 1 1      24   14   12 o    5.492000      0.2704000       5.803000 0.3791000       5.181000      0.3856000      0.6225000      0.5407000
  1 1 1      24   14   13 o    11.22000      0.2197000       11.11000 0.3131000       11.34000      0.3083000     -0.2241000      0.4394000
  1 1 1      24   14   14 o    13.06000      0.2248000       13.13000 0.3205000       12.98000      0.3153000      0.1451000      0.4496000
  1 1 1      24   14   15 o    11.41000      0.2121000       11.45000 0.3032000       11.37000      0.2968000      0.8161000E-01  0.4243000
  1 1 1      24   14   16 o    6.698000      0.2197000       6.419000 0.3300000       6.976000      0.2902000     -0.5579000      0.4394000
  1 1 1      24   14   17 f    6.937000      0.2020000       7.057000 0.3035000       6.817000      0.2668000      0.2403000      0.4041000
  1 1 1      24   14   18 o    13.15000      0.2158000       13.41000 0.3078000       12.90000      0.3025000      0.5065000      0.4316000
  1 1 1      24   14   19 o    1.788000      0.4275000       1.687000 0.6271000       1.888000      0.5813000     -0.2013000      0.8550000
  1 1 1      24   14   20 o    10.38000      0.2385000       10.09000 0.3400000       10.67000      0.3347000     -0.5830000      0.4771000
  1 1 1      24   14   21 o    3.365000      0.3237000       3.146000 0.4992000       3.585000      0.4121000     -0.4390000      0.6474000
  1 1 1      24   14   22 o    4.505000      0.2404000       4.727000 0.3015000       4.284000      0.3744000      0.4424000      0.4808000
  1 1 1      24   14   23 o    7.641000      0.2773000       7.640000 0.2644000       7.643000      0.4875000     -0.2877000E-02  0.5546000
  1 1 1      24   14   24 o    1.316000      0.4306000       1.375000 0.6150000       1.256000      0.6028000      0.1186000      0.8612000
  1 1 1      24   14   25 o    5.579000      0.4357000       5.579000 0.4357000                  ?              ?              ?              ?
  1 1 1      24   14   26 f    3.039000      0.5280000       2.553000 0.7520000       3.526000      0.7413000     -0.9721000       1.056000
  1 1 1      24   14   27 o    1.439000      0.4639000       1.093000 0.5373000       1.786000      0.7564000     -0.6924000      0.9278000
  1 1 1      24   14   28 o    1.528000      0.4601000       1.675000 0.7012000       1.380000      0.5958000      0.2947000      0.9201000
  1 1 1      24   14   29 o    2.021000      0.5060000       2.523000 0.7434000       1.519000      0.6867000       1.004000       1.012000
  1 1 1      24   15    0 o    5.243000      0.5237000       4.784000 0.8599000       5.701000      0.5980000     -0.9169000       1.047000
  1 1 1      24   15    1 o    12.92000      0.3128000       13.22000 0.5217000       12.61000      0.3453000      0.6141000      0.6257000
  1 1 1      24   15    2 o    7.414000      0.2747000       7.682000 0.3961000       7.146000      0.3808000      0.5357000      0.5495000
  1 1 1      24   15    3 o    6.568000      0.4576000       6.916000 0.6056000       6.219000      0.6862000      0.6969000      0.9152000
  1 1 1      24   15    4 o    3.740000      0.6410000       4.779000 0.8040000       2.701000      0.9986000       2.079000       1.282000
  1 1 1      24   15    5 o    2.330000      0.5535000       2.450000 0.8029000       2.211000      0.7620000      0.2396000       1.107000
  1 1 1      24   15    6 o    10.94000      0.2381000       10.75000 0.3418000       11.14000      0.3316000     -0.3952000      0.4762000
  1 1 1      24   15    7 o    9.720000      0.2358000       9.489000 0.3393000       9.951000      0.3275000     -0.4626000      0.4716000
  1 1 1      24   15    8 o    19.72000      0.2971000       19.85000 0.4235000       19.60000      0.4169000      0.2433000      0.5943000
  1 1 1      24   15    9 o    14.81000      0.2468000       14.77000 0.3502000       14.85000      0.3479000     -0.7109000E-01  0.4936000
  1 1 1      24   15   10 f    6.292000      0.2602000       6.489000 0.3756000       6.095000      0.3603000      0.3938000      0.5205000
  1 1 1      24   15   11 o    10.31000      0.2211000       10.43000 0.3141000       10.20000      0.3112000      0.2299000      0.4422000
  1 1 1      24   15   12 o    8.691000      0.2238000       9.043000 0.3236000       8.339000      0.3092000      0.7046000      0.4475000
  1 1 1      24   15   13 f    4.489000      0.3090000       4.517000 0.4725000       4.461000      0.3984000      0.5550000E-01  0.6181000
  1 1 1      24   15   14 o    8.541000      0.2102000       8.427000 0.3084000       8.655000      0.2857000     -0.2280000      0.4204000
  1 1 1      24   15   15 o    8.017000      0.2110000       8.164000 0.3100000       7.869000      0.2862000      0.2945000      0.4219000
  1 1 1      24   15   16 o    3.979000      0.3032000       4.396000 0.4133000       3.562000      0.4439000      0.8333000      0.6065000
  1 1 1      24   15   17 o    1.298000      0.3996000       1.133000 0.5336000       1.464000      0.5949000     -0.3303000      0.7991000
  1 1 1      24   15   18 o    5.320000      0.2169000       5.697000 0.3237000       4.943000      0.2888000      0.7538000      0.4338000
  1 1 1      24   15   19 o    5.890000      0.1997000       5.868000 0.2913000       5.912000      0.2733000     -0.4440000E-01  0.3994000
  1 1 1      24   15   20 o    9.610000      0.1847000       9.805000 0.2598000       9.414000      0.2627000      0.3906000      0.3695000
  1 1 1      24   15   21 o    5.841000      0.1982000       5.968000 0.2654000       5.714000      0.2945000      0.2544000      0.3964000
  1 1 1      24   15   22 o    4.400000      0.3442000       4.358000 0.4468000       4.443000      0.5236000     -0.8472000E-01  0.6883000
  1 1 1      24   15   23 o    4.126000      0.5411000       4.126000 0.6860000       4.127000      0.8369000     -0.9499000E-03   1.082000
  1 1 1      24   15   24 o    3.223000      0.7359000       2.517000 0.9857000       3.928000       1.093000      -1.410000       1.472000
  1 1 1      24   15   25 f    2.864000      0.6444000       2.864000 0.6444000                  ?              ?              ?              ?
  1 1 1      24   15   26 o    1.589000      0.4797000       1.319000 0.6056000       1.860000      0.7441000     -0.5408000      0.9594000
  1 1 1      24   15   27 o    2.082000      0.7365000                  ?       ?   2.082000      0.7365000                  ?              ?
  1 1 1      24   15   28 o    2.686000      0.4656000       2.930000 0.6087000       2.441000      0.7046000      0.4887000      0.9311000
  1 1 1      24   15   29 o    2.977000      0.8659000                  ?       ?   2.977000      0.8659000                  ?              ?
  1 1 1      24   16    0 o    7.162000      0.2997000       6.989000 0.4521000       7.334000      0.3936000     -0.3443000      0.5995000
  1 1 1      24   16    1 o    19.24000      0.4238000       18.82000 0.6019000       19.66000      0.5969000     -0.8343000      0.8477000
  1 1 1      24   16    2 o    2.674000      0.5448000       3.332000 0.7646000       2.015000      0.7762000       1.317000       1.090000
  1 1 1      24   16    3 o    4.695000      0.3719000       4.755000 0.5569000       4.635000      0.4930000      0.1203000      0.7438000
  1 1 1      24   16    4 o    8.845000      0.3823000       8.876000 0.5271000       8.813000      0.5538000      0.6382000E-01  0.7645000
  1 1 1      24   16    5 o    8.689000      0.3641000       8.224000 0.5186000       9.153000      0.5112000     -0.9286000      0.7282000
  1 1 1      24   16    6 o    11.85000      0.2383000       12.00000 0.3420000       11.70000      0.3320000      0.3004000      0.4767000
  1 1 1      24   16    7 o    10.26000      0.2333000       10.28000 0.3361000       10.24000      0.3238000      0.4730000E-01  0.4667000
  1 1 1      24   16    8 o    14.63000      0.2521000       14.81000 0.3606000       14.45000      0.3523000      0.3636000      0.5041000
  1 1 1      24   16    9 o    5.070000      0.3154000       4.648000 0.4927000       5.492000      0.3940000     -0.8438000      0.6309000
  1 1 1      24   16   10 o    8.664000      0.2312000       9.072000 0.3253000       8.256000      0.3287000      0.8151000      0.4625000
  1 1 1      24   16   11 o    5.245000      0.2807000       5.148000 0.4264000       5.342000      0.3653000     -0.1939000      0.5615000
  1 1 1      24   16   12 o    3.638000      0.3887000       3.413000 0.6351000       3.864000      0.4482000     -0.4514000      0.7774000
  1 1 1      24   16   13 o    10.18000      0.2145000       10.04000 0.3091000       10.33000      0.2976000     -0.2966000      0.4291000
  1 1 1      24   16   14 o    11.25000      0.2130000       11.22000 0.3036000       11.27000      0.2990000     -0.4870000E-01  0.4261000
  1 1 1      24   16   15 f    7.223000      0.2156000       7.222000 0.3152000       7.223000      0.2943000     -0.4878000E-03  0.4312000
  1 1 1      24   16   16 o    6.955000      0.2088000       7.083000 0.3030000       6.827000      0.2874000      0.2557000      0.4176000
  1 1 1      24   16   17 o    3.057000      0.3573000       3.128000 0.5331000       2.986000      0.4757000      0.1424000      0.7145000
  1 1 1      24   16   18 o    3.669000      0.2938000       3.735000 0.4463000       3.602000      0.3822000      0.1327000      0.5876000
  1 1 1      24   16   19 o    1.669000      0.4427000       1.816000 0.6511000       1.522000      0.6000000      0.2939000      0.8853000
  1 1 1      24   16   20 o    1.769000      0.4280000       1.403000 0.5887000       2.135000      0.6215000     -0.7316000      0.8560000
  1 1 1      24   16   21 f    3.315000      0.3330000       3.669000 0.3927000       2.962000      0.5380000      0.7071000      0.6660000
  1 1 1      24   16   22 o    1.707000      0.4725000       1.542000 0.6262000       1.873000      0.7077000     -0.3313000      0.9450000
  1 1 1      24   16   23 o    5.679000      0.2927000       5.873000 0.3557000       5.484000      0.4648000      0.3898000      0.5853000
  1 1 1      24   16   24 o    4.421000      0.3808000       4.186000 0.4942000       4.656000      0.5795000     -0.4707000      0.7616000
  1 1 1      24   16   25 o    1.869000      0.5474000       1.629000 0.6802000       2.110000      0.8579000     -0.4815000       1.095000
  1 1 1      24   16   26 o    3.745000      0.8035000       4.463000 1.119000       3.026000       1.153000       1.437000       1.607000
  1 1 1      24   16   27 o    3.832000      0.9037000                  ?       ?   3.832000      0.9037000                  ?              ?
  1 1 1      24   16   28 o    2.810000      0.6568000       2.957000 0.9772000       2.664000      0.8779000      0.2931000       1.314000
  1 1 1      24   17    0 o    9.740000      0.2645000       9.719000 0.3855000       9.761000      0.3623000     -0.4206000E-01  0.5290000
  1 1 1      24   17    1 o    9.590000      0.2659000       9.809000 0.3875000       9.372000      0.3641000      0.4367000      0.5317000
  1 1 1      24   17    2 o    7.497000      0.3652000       7.823000 0.5447000       7.172000      0.4867000      0.6516000      0.7304000
  1 1 1      24   17    3 o    12.54000      0.3082000       12.29000 0.5057000       12.79000      0.3525000     -0.5039000      0.6165000
  1 1 1      24   17    4 o    8.941000      0.2549000       9.161000 0.3718000       8.722000      0.3490000      0.4393000      0.5099000
  1 1 1      24   17    5 o    8.637000      0.3126000       8.800000 0.5255000       8.473000      0.3388000      0.3269000      0.6253000
  1 1 1      24   17    6 o    7.371000      0.3975000       7.692000 0.5225000       7.049000      0.5993000      0.6428000      0.7951000
  1 1 1      24   17    7 o    12.62000      0.3583000       12.45000 0.4969000       12.80000      0.5165000     -0.3438000      0.7167000
  1 1 1      24   17    8 o    4.511000      0.3628000       4.458000 0.5449000       4.564000      0.4793000     -0.1062000      0.7257000
  1 1 1      24   17    9 o    10.09000      0.2306000       9.751000 0.3337000       10.42000      0.3184000     -0.6715000      0.4613000
  1 1 1      24   17   10 o    8.202000      0.2338000       8.403000 0.3402000       8.001000      0.3209000      0.4021000      0.4677000
  1 1 1      24   17   11 o    1.763000      0.4921000       1.699000 0.7082000       1.828000      0.6835000     -0.1282000      0.9842000
  1 1 1      24   17   12 o    2.390000      0.4737000       1.844000 0.7288000       2.936000      0.6055000      -1.091000      0.9475000
  1 1 1      24   17   13 o    10.57000      0.2153000       10.81000 0.3109000       10.34000      0.2980000      0.4709000      0.4306000
  1 1 1      24   17   14 o    3.858000      0.3333000       4.250000 0.4843000       3.466000      0.4580000      0.7841000      0.6666000
  1 1 1      24   17   15 o    11.44000      0.2121000       11.28000 0.3004000       11.60000      0.2995000     -0.3218000      0.4242000
  1 1 1      24   17   16 o    6.002000      0.2202000       6.508000 0.3145000       5.496000      0.3081000       1.012000      0.4403000
  1 1 1      24   17   17 o    2.560000      0.4002000       2.062000 0.6666000       3.058000      0.4429000     -0.9969000      0.8003000
  1 1 1      24   17   18 o    2.856000      0.3850000       2.674000 0.6028000       3.038000      0.4790000     -0.3637000      0.7700000
  1 1 1      24   17   19 o    5.408000      0.2249000       5.376000 0.3186000       5.440000      0.3174000     -0.6415000E-01  0.4497000
  1 1 1      24   17   20 o    5.059000      0.2413000       4.780000 0.3502000       5.339000      0.3319000     -0.5590000      0.4825000
  1 1 1      24   17   21 o    6.160000      0.2339000       6.518000 0.3081000       5.801000      0.3520000      0.7168000      0.4678000
  1 1 1      24   17   22 o    3.122000      0.4415000       3.359000 0.5201000       2.885000      0.7136000      0.4740000      0.8830000
  1 1 1      24   17   23 o    8.971000      0.2775000       9.356000 0.3138000       8.587000      0.4577000      0.7696000      0.5550000
  1 1 1      24   17   24 o    2.645000      0.5669000       2.410000 0.7542000       2.879000      0.8464000     -0.4695000       1.134000
  1 1 1      24   17   25 o    5.122000      0.4027000       5.784000 0.4267000       4.460000      0.6831000       1.324000      0.8054000
  1 1 1      24   17   26 o    3.486000      0.4995000       3.399000 0.6757000       3.573000      0.7359000     -0.1741000      0.9991000
  1 1 1      24   17   27 o    5.586000      0.3113000       5.122000 0.4654000       6.050000      0.4137000     -0.9284000      0.6227000
  1 1 1      24   17   28 f    2.030000      0.5238000       2.378000 0.7683000       1.682000      0.7122000      0.6967000       1.048000
  1 1 1      24   18    0 o    11.13000      0.2607000       10.86000 0.3777000       11.41000      0.3595000     -0.5534000      0.5215000
  1 1 1      24   18    1 o    6.801000      0.3063000       6.903000 0.4514000       6.698000      0.4141000      0.2046000      0.6126000
  1 1 1      24   18    2 o    2.757000      0.5589000       2.386000 0.8471000       3.127000      0.7294000     -0.7413000       1.118000
  1 1 1      24   18    3 o    13.27000      0.3456000       13.47000 0.5149000       13.06000      0.4610000      0.4164000      0.6911000
  1 1 1      24   18    4 o    14.15000      0.3503000       14.09000 0.5124000       14.20000      0.4779000     -0.1037000      0.7007000
  1 1 1      24   18    5 o    5.266000      0.3317000       5.523000 0.4785000       5.008000      0.4596000      0.5150000      0.6634000
  1 1 1      24   18    6 o    2.817000      0.5415000       3.149000 0.7629000       2.484000      0.7687000      0.6654000       1.083000
  1 1 1      24   18    7 o    15.54000      0.3819000       15.95000 0.5340000       15.13000      0.5462000      0.8209000      0.7638000
  1 1 1      24   18    8 o    7.818000      0.3887000       7.976000 0.5146000       7.660000      0.5826000      0.3162000      0.7773000
  1 1 1      24   18    9 o    10.66000      0.2329000       10.55000 0.3365000       10.77000      0.3222000     -0.2281000      0.4659000
  1 1 1      24   18   10 o    3.483000      0.4128000       3.767000 0.5857000       3.200000      0.5819000      0.5674000      0.8257000
  1 1 1      24   18   11 o    3.203000      0.4289000       3.734000 0.5614000       2.672000      0.6487000       1.062000      0.8579000
  1 1 1      24   18   12 o    6.038000      0.2601000       6.103000 0.3839000       5.974000      0.3510000      0.1289000      0.5202000
  1 1 1      24   18   13 o    7.801000      0.2195000       7.865000 0.3250000       7.738000      0.2952000      0.1264000      0.4390000
  1 1 1      24   18   14 o    3.807000      0.3375000       3.744000 0.5103000       3.871000      0.4419000     -0.1273000      0.6750000
  1 1 1      24   18   15 o    12.25000      0.2189000       12.28000 0.3083000       12.22000      0.3109000      0.6067000E-01  0.4378000
  1 1 1      24   18   16 o    3.670000      0.3189000       3.621000 0.4906000       3.719000      0.4076000     -0.9866000E-01  0.6378000
  1 1 1      24   18   17 o    2.621000      0.4200000       2.690000 0.6140000       2.552000      0.5733000      0.1382000      0.8400000
  1 1 1      24   18   18 o    1.840000      0.4590000       2.104000 0.6693000       1.576000      0.6283000      0.5284000      0.9180000
  1 1 1      24   18   19 o    5.216000      0.2424000       5.227000 0.3411000       5.205000      0.3446000      0.2175000E-01  0.4848000
  1 1 1      24   18   20 o    2.560000      0.4439000       2.845000 0.5752000       2.276000      0.6762000      0.5695000      0.8878000
  1 1 1      24   18   21 o    4.996000      0.4128000       4.771000 0.3935000       5.221000      0.7257000     -0.4495000      0.8255000
  1 1 1      24   18   22 o    2.039000      0.5444000       1.967000 0.7337000       2.111000      0.8045000     -0.1442000       1.089000
  1 1 1      24   18   23 o    3.071000      0.5259000       3.605000 0.6115000       2.536000      0.8558000       1.069000       1.052000
  1 1 1      24   18   24 o    4.710000      0.3853000       4.736000 0.4638000       4.685000      0.6153000      0.5127000E-01  0.7706000
  1 1 1      24   18   25 f    4.565000      0.4384000       5.031000 0.4875000       4.098000      0.7289000      0.9322000      0.8769000
  1 1 1      24   18   26 o    1.849000      0.4870000       2.516000 0.7776000       1.182000      0.5866000       1.334000      0.9741000
  1 1 1      24   18   27 o    6.362000      0.2910000       6.581000 0.3762000       6.144000      0.4439000      0.4363000      0.5819000
  1 1 1      24   18   28 o    1.719000      0.5331000       1.587000 0.6847000       1.850000      0.8172000     -0.2628000       1.066000
  1 1 1      24   19    0 f    7.253000      0.2991000       7.457000 0.4377000       7.049000      0.4080000      0.4075000      0.5983000
  1 1 1      24   19    1 o    12.15000      0.2587000       12.61000 0.3746000       11.68000      0.3570000      0.9362000      0.5174000
  1 1 1      24   19    2 o    1.662000      0.5136000       1.878000 0.7840000       1.446000      0.6638000      0.4320000       1.027000
  1 1 1      24   19    3 o    6.942000      0.2891000       6.959000 0.4353000       6.925000      0.3807000      0.3333000E-01  0.5782000
  1 1 1      24   19    4 f    16.30000      0.3765000       16.49000 0.5514000       16.11000      0.5127000      0.3760000      0.7529000
  1 1 1      24   19    5 o    3.430000      0.6260000       3.527000 0.9669000       3.333000      0.7953000      0.1940000       1.252000
  1 1 1      24   19    6 o    5.010000      0.3532000       4.721000 0.5556000       5.298000      0.4361000     -0.5779000      0.7063000
  1 1 1      24   19    7 o    2.346000      0.5396000       2.773000 0.8071000       1.920000      0.7163000      0.8527000       1.079000
  1 1 1      24   19    8 o    3.221000      0.4740000       2.810000 0.7739000       3.632000      0.5475000     -0.8219000      0.9480000
  1 1 1      24   19    9 o    13.46000      0.3623000       14.25000 0.5014000       12.66000      0.5232000       1.591000      0.7246000
  1 1 1      24   19   10 f    10.10000      0.3523000       10.13000 0.4643000       10.07000      0.5299000      0.6759000E-01  0.7045000
  1 1 1      24   19   11 o    4.566000      0.3347000       4.100000 0.5429000       5.031000      0.3917000     -0.9306000      0.6695000
  1 1 1      24   19   12 o    5.269000      0.2793000       5.237000 0.4090000       5.301000      0.3804000     -0.6431000E-01  0.5586000
  1 1 1      24   19   13 o    6.403000      0.2374000       6.626000 0.3412000       6.180000      0.3301000      0.4452000      0.4748000
  1 1 1      24   19   14 o    1.572000      0.4564000       1.857000 0.7121000       1.286000      0.5709000      0.5705000      0.9127000
  1 1 1      24   19   15 o    2.306000      0.4521000       2.053000 0.7082000       2.558000      0.5620000     -0.5048000      0.9041000
  1 1 1      24   19   16 o    5.098000      0.2489000       4.965000 0.3716000       5.232000      0.3312000     -0.2666000      0.4978000
  1 1 1      24   19   17 o    5.855000      0.2309000       6.017000 0.3274000       5.693000      0.3256000      0.3238000      0.4617000
  1 1 1      24   19   18 o    2.600000      0.4330000       2.094000 0.6715000       3.106000      0.5467000      -1.012000      0.8659000
  1 1 1      24   19   19 o    7.038000      0.2144000       7.405000 0.2904000       6.670000      0.3155000      0.7351000      0.4288000
  1 1 1      24   19   20 o    8.108000      0.2200000       8.154000 0.2908000       8.062000      0.3303000      0.9137000E-01  0.4401000
  1 1 1      24   19   21 o    5.349000      0.2971000       5.093000 0.4048000       5.605000      0.4348000     -0.5119000      0.5941000
  1 1 1      24   19   22 o    2.536000      0.5671000       2.763000 0.7388000       2.308000      0.8605000      0.4551000       1.134000
  1 1 1      24   19   23 o    2.627000      0.5651000       3.058000 0.7279000       2.195000      0.8645000      0.8625000       1.130000
  1 1 1      24   19   24 o    3.579000      0.5391000       3.570000 0.7145000       3.589000      0.8075000     -0.1901000E-01   1.078000
  1 1 1      24   19   25 o    2.461000      0.5985000       2.424000 0.8250000       2.498000      0.8673000     -0.7418000E-01   1.197000
  1 1 1      24   19   26 o    2.674000      0.6497000       3.005000 0.7390000       2.343000       1.069000      0.6619000       1.299000
  1 1 1      24   19   27 o    3.205000      0.5280000       3.888000 0.5874000       2.523000      0.8775000       1.365000       1.056000
  1 1 1      24   20    0 o    8.671000      0.2778000       8.836000 0.4052000       8.505000      0.3801000      0.3312000      0.5556000
  1 1 1      24   20    1 o    8.122000      0.2776000       7.702000 0.4218000       8.542000      0.3610000     -0.8405000      0.5552000
  1 1 1      24   20    2 o    8.719000      0.2596000       8.992000 0.3713000       8.445000      0.3628000      0.5467000      0.5192000
  1 1 1      24   20    3 o    6.798000      0.2950000       6.907000 0.4262000       6.688000      0.4079000      0.2185000      0.5899000
  1 1 1      24   20    4 o    8.119000      0.2659000       8.025000 0.3898000       8.212000      0.3619000     -0.1871000      0.5319000
  1 1 1      24   20    5 o    7.980000      0.2630000       8.385000 0.3806000       7.576000      0.3630000      0.8081000      0.5259000
  1 1 1      24   20    6 o    10.40000      0.3235000       10.42000 0.4923000       10.38000      0.4199000      0.3528000E-01  0.6471000
  1 1 1      24   20    7 f    5.880000      0.3893000       6.024000 0.6217000       5.735000      0.4687000      0.2894000      0.7786000
  1 1 1      24   20    8 f    5.302000      0.3196000       5.212000 0.5022000       5.392000      0.3953000     -0.1806000      0.6391000
  1 1 1      24   20    9 o    10.54000      0.2297000       10.52000 0.3322000       10.56000      0.3172000     -0.4075000E-01  0.4594000
  1 1 1      24   20   10 o    7.164000      0.2501000       7.313000 0.3731000       7.014000      0.3333000      0.2991000      0.5003000
  1 1 1      24   20   12 o    2.003000      0.5745000       2.566000 0.9019000       1.440000      0.7120000       1.126000       1.149000
  1 1 1      24   20   13 o    9.490000      0.3571000       9.995000 0.4580000       8.986000      0.5481000       1.008000      0.7143000
  1 1 1      24   20   14 o    6.942000      0.2230000       7.017000 0.3286000       6.868000      0.3016000      0.1486000      0.4460000
  1 1 1      24   20   15 o    2.273000      0.4676000       2.039000 0.6987000       2.508000      0.6217000     -0.4691000      0.9353000
  1 1 1      24   20   16 o    6.677000      0.2222000       6.989000 0.3147000       6.366000      0.3137000      0.6229000      0.4444000
  1 1 1      24   20   17 o    8.748000      0.2051000       9.320000 0.2895000       8.176000      0.2906000       1.144000      0.4102000
  1 1 1      24   20   18 o    3.717000      0.3511000       4.107000 0.4431000       3.328000      0.5448000      0.7789000      0.7023000
  1 1 1      24   20   19 o    8.695000      0.2085000       8.783000 0.2830000       8.606000      0.3063000      0.1766000      0.4170000
  1 1 1      24   20   20 o    4.477000      0.3507000       4.553000 0.4415000       4.402000      0.5450000      0.1515000      0.7014000
  1 1 1      24   20   21 o    2.345000      0.4973000       3.014000 0.6684000       1.676000      0.7364000       1.338000      0.9945000
  1 1 1      24   20   22 o    1.808000      0.5228000       1.207000 0.5858000       2.409000      0.8661000      -1.202000       1.046000
  1 1 1      24   20   23 o    3.082000      0.5344000       3.932000 0.5988000       2.232000      0.8852000       1.700000       1.069000
  1 1 1      24   20   24 o    2.420000      0.6235000       2.441000 0.8244000       2.398000      0.9355000      0.4352000E-01   1.247000
  1 1 1      24   20   25 o    1.747000      0.5481000       1.811000 0.7705000       1.684000      0.7798000      0.1265000       1.096000
  1 1 1      24   20   26 f    1.358000      0.6522000       1.358000 0.6522000                  ?              ?              ?              ?
  1 1 1      24   20   27 o    2.585000      0.6215000       2.603000 0.8675000       2.568000      0.8902000      0.3523000E-01   1.243000
  1 1 1      24   21    0 o    5.476000      0.4659000                  ?       ?   5.476000      0.4659000                  ?              ?
  1 1 1      24   21    1 o    12.10000      0.2614000       12.14000 0.3747000       12.06000      0.3644000      0.7533000E-01  0.5227000
  1 1 1      24   21    2 o    11.83000      0.2591000       11.77000 0.3748000       11.90000      0.3579000     -0.1281000      0.5183000
  1 1 1      24   21    3 o    13.74000      0.2588000       13.92000 0.3705000       13.57000      0.3614000      0.3540000      0.5176000
  1 1 1      24   21    4 o    10.90000      0.2493000       10.83000 0.3654000       10.98000      0.3391000     -0.1492000      0.4985000
  1 1 1      24   21    5 o    7.014000      0.2817000       6.819000 0.4379000       7.209000      0.3545000     -0.3898000      0.5634000
  1 1 1      24   21    6 o    4.359000      0.3782000       4.248000 0.6160000       4.469000      0.4391000     -0.2211000      0.7565000
  1 1 1      24   21    7 o    6.866000      0.2715000       6.955000 0.4097000       6.778000      0.3564000      0.1769000      0.5431000
  1 1 1      24   21    9 o    6.597000      0.3543000       6.260000 0.5739000       6.934000      0.4156000     -0.6742000      0.7086000
  1 1 1      24   21   10 o    5.674000      0.2672000       5.666000 0.3922000       5.682000      0.3630000     -0.1677000E-01  0.5344000
  1 1 1      24   21   11 o    1.358000      0.4346000       1.692000 0.7126000       1.025000      0.4978000      0.6672000      0.8692000
  1 1 1      24   21   12 o    5.583000      0.2681000       5.504000 0.3928000       5.662000      0.3651000     -0.1581000      0.5363000
  1 1 1      24   21   13 o    3.626000      0.3571000       3.379000 0.5611000       3.873000      0.4417000     -0.4938000      0.7141000
  1 1 1      24   21   14 o    2.712000      0.6891000       2.359000 0.8922000       3.066000       1.050000     -0.7072000       1.378000
  1 1 1      24   21   15 o    12.83000      0.3523000       13.19000 0.4774000       12.48000      0.5182000      0.7108000      0.7046000
  1 1 1      24   21   16 o    3.244000      0.6782000       2.901000 0.9016000       3.586000       1.013000     -0.6850000       1.356000
  1 1 1      24   21   17 o    5.176000      0.2738000       5.068000 0.3959000       5.284000      0.3784000     -0.2161000      0.5476000
  1 1 1      24   21   18 o    4.409000      0.3072000       4.187000 0.4387000       4.631000      0.4301000     -0.4447000      0.6144000
  1 1 1      24   21   19 o    7.119000      0.2442000       7.263000 0.3216000       6.975000      0.3675000      0.2888000      0.4884000
  1 1 1      24   21   20 f    2.932000      0.5173000       3.253000 0.6313000       2.611000      0.8197000      0.6411000       1.035000
  1 1 1      24   21   21 o    2.613000      0.5396000       3.297000 0.7016000       1.928000      0.8202000       1.369000       1.079000
  1 1 1      24   21   22 o    5.427000      0.3849000       5.470000 0.4892000       5.384000      0.5944000      0.8611000E-01  0.7699000
  1 1 1      24   21   23 o    5.036000      0.6707000       4.665000 1.168000       5.407000      0.6601000     -0.7419000       1.341000
  1 1 1      24   21   24 o    2.694000      0.6038000       3.250000 0.7989000       2.138000      0.9056000       1.112000       1.208000
  1 1 1      24   21   25 o    3.174000      0.5945000       3.896000 0.7113000       2.452000      0.9529000       1.444000       1.189000
  1 1 1      24   21   26 o    2.208000      0.6092000       2.308000 0.8745000       2.109000      0.8483000      0.1985000       1.218000
  1 1 1      24   22    0 f    4.368000      0.6246000                  ?       ?   4.368000      0.6246000                  ?              ?
  1 1 1      24   22    1 o    12.20000      0.2668000       12.10000 0.3796000       12.30000      0.3749000     -0.1973000      0.5335000
  1 1 1      24   22    2 o    6.463000      0.3237000       5.961000 0.5212000       6.964000      0.3839000      -1.003000      0.6474000
  1 1 1      24   22    3 o    6.584000      0.3053000       6.542000 0.4625000       6.625000      0.3985000     -0.8354000E-01  0.6105000
  1 1 1      24   22    4 o    5.854000      0.3147000       6.122000 0.4490000       5.585000      0.4412000      0.5370000      0.6295000
  1 1 1      24   22    5 o    4.083000      0.4246000       4.142000 0.6586000       4.025000      0.5359000      0.1169000      0.8491000
  1 1 1      24   22    6 o    6.375000      0.2847000       6.485000 0.4211000       6.266000      0.3832000      0.2192000      0.5693000
  1 1 1      24   22    7 o    9.406000      0.2414000       9.563000 0.3478000       9.250000      0.3348000      0.3132000      0.4827000
  1 1 1      24   22    8 o    6.297000      0.2771000       6.227000 0.4093000       6.368000      0.3738000     -0.1415000      0.5543000
  1 1 1      24   22    9 o    5.000000      0.3292000       4.715000 0.5113000       5.285000      0.4149000     -0.5699000      0.6584000
  1 1 1      24   22   10 o    4.543000      0.4763000       3.748000 0.8419000       5.339000      0.4456000      -1.590000      0.9526000
  1 1 1      24   22   11 o    2.249000      0.5692000       2.616000 0.8830000       1.882000      0.7186000      0.7342000       1.138000
  1 1 1      24   22   12 o    2.900000      0.5266000       3.198000 0.8193000       2.603000      0.6617000      0.5958000       1.053000
  1 1 1      24   22   13 o    2.652000      0.4382000       2.325000 0.6929000       2.978000      0.5367000     -0.6531000      0.8764000
  1 1 1      24   22   14 f    2.154000      0.4997000       2.146000 0.7344000       2.161000      0.6778000     -0.1447000E-01  0.9994000
  1 1 1      24   22   15 o    11.20000      0.2197000       11.47000 0.3128000       10.93000      0.3086000      0.5464000      0.4394000
  1 1 1      24   22   16 o    1.648000      0.4773000       1.728000 0.6948000       1.569000      0.6547000      0.1588000      0.9547000
  1 1 1      24   22   17 o    1.491000      0.4536000       1.568000 0.6569000       1.414000      0.6258000      0.1537000      0.9073000
  1 1 1      24   22   18 o    4.806000      0.5289000       4.637000 0.6732000       4.975000      0.8160000     -0.3382000       1.058000
  1 1 1      24   22   19 o    7.224000      0.3778000       7.059000 0.4987000       7.390000      0.5676000     -0.3306000      0.7555000
  1 1 1      24   22   20 o    3.850000      0.6495000       4.487000 0.7370000       3.214000       1.070000       1.273000       1.299000
  1 1 1      24   22   21 f    4.540000      0.5847000       4.683000 0.6547000       4.396000      0.9690000      0.2870000       1.169000
  1 1 1      24   22   22 o    4.406000      0.6070000       4.641000 0.6649000       4.170000       1.016000      0.4709000       1.214000
  1 1 1      24   22   23 o    3.545000      0.5835000       4.669000 0.6445000       2.421000      0.9729000       2.247000       1.167000
  1 1 1      24   22   24 o    1.729000      0.5571000       1.761000 0.7797000       1.697000      0.7958000      0.6379000E-01   1.114000
  1 1 1      24   22   25 o    3.810000      0.5799000       5.068000 0.6257000       2.552000      0.9766000       2.516000       1.160000
  1 1 1      24   22   26 o    2.298000      0.6455000       2.433000 0.9213000       2.164000      0.9044000      0.2688000       1.291000
  1 1 1      24   23    0 o    7.599000      0.4079000                  ?       ?   7.599000      0.4079000                  ?              ?
  1 1 1      24   23    1 o    12.89000      0.2645000       12.71000 0.3848000       13.06000      0.3630000     -0.3553000      0.5290000
  1 1 1      24   23    2 o    5.301000      0.3718000       4.736000 0.5978000       5.866000      0.4424000      -1.130000      0.7437000
  1 1 1      24   23    3 o    1.717000      0.5240000       1.917000 0.8037000       1.517000      0.6727000      0.4005000       1.048000
  1 1 1      24   23    4 o    9.163000      0.2560000       9.011000 0.3721000       9.314000      0.3517000     -0.3037000      0.5120000
  1 1 1      24   23    5 o    7.330000      0.2779000       7.213000 0.4202000       7.447000      0.3638000     -0.2334000      0.5558000
  1 1 1      24   23    6 o    2.228000      0.5439000       2.709000 0.8245000       1.747000      0.7094000      0.9628000       1.088000
  1 1 1      24   23    7 o    2.941000      0.5201000       3.271000 0.7508000       2.611000      0.7200000      0.6602000       1.040000
  1 1 1      24   23    8 o    1.616000      0.4911000       1.741000 0.7339000       1.491000      0.6529000      0.2495000      0.9823000
  1 1 1      24   23    9 o    2.954000      0.4965000       3.539000 0.6632000       2.368000      0.7389000       1.171000      0.9929000
  1 1 1      24   23   10 f    4.788000      0.3206000       4.608000 0.4959000       4.969000      0.4066000     -0.3607000      0.6413000
  1 1 1      24   23   11 o    2.293000      0.5084000       2.231000 0.7459000       2.355000      0.6910000     -0.1239000       1.017000
  1 1 1      24   23   12 o    2.759000      0.4723000       3.464000 0.6359000       2.055000      0.6986000       1.409000      0.9447000
  1 1 1      24   23   13 o    8.474000      0.2278000       8.682000 0.3274000       8.266000      0.3167000      0.4157000      0.4555000
  1 1 1      24   23   14 o    4.936000      0.3612000       4.958000 0.5659000       4.915000      0.4490000      0.4268000E-01  0.7224000
  1 1 1      24   23   15 o    3.542000      0.4853000       3.599000 0.7506000       3.485000      0.6154000      0.1137000      0.9706000
  1 1 1      24   23   16 o    3.317000      0.5233000       2.528000 0.8662000       4.106000      0.5875000      -1.577000       1.047000
  1 1 1      24   23   17 o    3.074000      0.5063000       3.900000 0.7079000       2.248000      0.7240000       1.651000       1.013000
  1 1 1      24   23   18 o    4.232000      0.4153000       4.188000 0.5760000       4.276000      0.5983000     -0.8859000E-01  0.8305000
  1 1 1      24   23   19 o    4.530000      0.4333000       5.310000 0.4692000       3.749000      0.7287000       1.561000      0.8667000
  1 1 1      24   23   20 o    4.062000      0.5072000       4.899000 0.5058000       3.225000      0.8793000       1.673000       1.014000
  1 1 1      24   23   21 o    3.460000      0.5428000       4.637000 0.5842000       2.282000      0.9149000       2.355000       1.086000
  1 1 1      24   23   22 o    2.174000      0.6359000       2.068000 0.8452000       2.279000      0.9504000     -0.2109000       1.272000
  1 1 1      24   23   23 o    2.060000      0.6186000       1.611000 0.7473000       2.510000      0.9859000     -0.8996000       1.237000
  1 1 1      24   23   24 o    1.870000      0.5862000       1.636000 0.7475000       2.103000      0.9032000     -0.4670000       1.172000
  1 1 1      24   23   25 o    5.038000      0.5390000       5.842000 0.6690000       4.234000      0.8453000       1.609000       1.078000
  1 1 1      24   24    0 o    5.001000      0.4146000       4.278000 0.6818000       5.724000      0.4719000      -1.445000      0.8292000
  1 1 1      24   24    1 o    2.426000      0.5849000       2.838000 0.8667000       2.014000      0.7858000      0.8233000       1.170000
  1 1 1      24   24    2 o    9.376000      0.2617000       9.543000 0.3825000       9.209000      0.3574000      0.3343000      0.5235000
  1 1 1      24   24    3 o    2.071000      0.5448000       2.568000 0.8445000       1.573000      0.6886000      0.9941000       1.090000
  1 1 1      24   24    4 o    2.002000      0.5282000       1.560000 0.7036000       2.444000      0.7881000     -0.8840000       1.056000
  1 1 1      24   24    5 o    7.138000      0.2784000       6.721000 0.4296000       7.555000      0.3543000     -0.8340000      0.5569000
  1 1 1      24   24    6 f    2.309000      0.5329000       1.877000 0.7768000       2.742000      0.7297000     -0.8658000       1.066000
  1 1 1      24   24    7 o    3.943000      0.4208000       3.807000 0.6612000       4.078000      0.5206000     -0.2711000      0.8415000
  1 1 1      24   24    8 o    2.960000      0.5072000       2.875000 0.7750000       3.045000      0.6545000     -0.1701000       1.014000
  1 1 1      24   24    9 o    4.041000      0.3941000       3.838000 0.6187000       4.244000      0.4884000     -0.4061000      0.7883000
  1 1 1      24   24   10 o    1.745000      0.4968000       1.790000 0.7273000       1.701000      0.6769000      0.8967000E-01  0.9935000
  1 1 1      24   24   11 o    1.385000      0.4407000       1.333000 0.6217000       1.437000      0.6247000     -0.1048000      0.8814000
  1 1 1      24   24   12 o    1.824000      0.5074000       2.000000 0.7609000       1.649000      0.6716000      0.3513000       1.015000
  1 1 1      24   24   13 o    7.114000      0.2436000       7.320000 0.3392000       6.907000      0.3497000      0.4135000      0.4872000
  1 1 1      24   24   14 o    3.096000      0.4594000       3.278000 0.6251000       2.913000      0.6733000      0.3649000      0.9188000
  1 1 1      24   24   15 o    2.225000      0.5281000       2.038000 0.7438000       2.413000      0.7500000     -0.3751000       1.056000
  1 1 1      24   24   16 o    1.813000      0.4941000       2.171000 0.7383000       1.455000      0.6567000      0.7160000      0.9881000
  1 1 1      24   24   17 o    6.313000      0.2864000       6.304000 0.3953000       6.322000      0.4145000     -0.1735000E-01  0.5728000
  1 1 1      24   24   18 o    10.10000      0.2993000       10.11000 0.4833000       10.09000      0.3534000      0.2262000E-01  0.5987000
  1 1 1      24   24   19 o    4.060000      0.6272000       5.570000 0.7570000       2.550000       1.000000       3.021000       1.254000
  1 1 1      24   24   20 o    4.321000      0.7421000       5.866000 0.9789000       2.775000       1.115000       3.090000       1.484000
  1 1 1      24   24   21 o    2.979000      0.8267000       2.378000 1.086000       3.579000       1.247000      -1.201000       1.653000
  1 1 1      24   24   22 o    2.515000      0.7979000       2.647000 1.145000       2.382000       1.111000      0.2655000       1.596000
  1 1 1      24   24   23 o    2.561000      0.8284000       2.661000 1.173000       2.461000       1.170000      0.1999000       1.657000
  1 1 1      24   24   24 o    2.902000      0.8952000       2.554000 1.158000       3.250000       1.365000     -0.6962000       1.790000
  1 1 1      24   25    0 o    5.616000      0.3754000       5.576000 0.5817000       5.656000      0.4745000     -0.7971000E-01  0.7507000
  1 1 1      24   25    1 o    8.374000      0.3022000       7.655000 0.4641000       9.094000      0.3871000      -1.439000      0.6043000
  1 1 1      24   25    2 o    9.233000      0.2799000       9.130000 0.4226000       9.336000      0.3670000     -0.2056000      0.5597000
  1 1 1      24   25    3 f    8.920000      0.2684000       8.708000 0.3893000       9.132000      0.3696000     -0.4240000      0.5368000
  1 1 1      24   25    4 o    11.19000      0.2547000       11.28000 0.3695000       11.11000      0.3505000      0.1689000      0.5093000
  1 1 1      24   25    5 o    7.149000      0.2817000       7.170000 0.4154000       7.128000      0.3807000      0.4203000E-01  0.5634000
  1 1 1      24   25    6 o    3.856000      0.4699000       4.700000 0.5544000       3.011000      0.7589000       1.689000      0.9399000
  1 1 1      24   25    7 o    5.471000      0.3195000       5.227000 0.4861000       5.716000      0.4148000     -0.4888000      0.6390000
  1 1 1      24   25    8 o    4.278000      0.3734000       4.344000 0.5523000       4.212000      0.5026000      0.1319000      0.7468000
  1 1 1      24   25    9 o    1.804000      0.4971000       2.291000 0.7906000       1.318000      0.6030000      0.9729000      0.9943000
  1 1 1      24   25   10 o    2.033000      0.5176000       2.320000 0.7708000       1.747000      0.6909000      0.5733000       1.035000
  1 1 1      24   25   11 o    2.465000      0.5233000       2.718000 0.7647000       2.213000      0.7146000      0.5056000       1.047000
  1 1 1      24   25   12 o    3.027000      0.4902000       2.748000 0.7606000       3.305000      0.6186000     -0.5569000      0.9804000
  1 1 1      24   25   13 o    2.248000      0.5194000       2.649000 0.7427000       1.847000      0.7263000      0.8013000       1.039000
  1 1 1      24   25   14 o    4.344000      0.3634000       3.811000 0.5626000       4.878000      0.4602000      -1.067000      0.7269000
  1 1 1      24   25   15 o    2.020000      0.5215000       1.518000 0.6768000       2.523000      0.7935000      -1.005000       1.043000
  1 1 1      24   25   16 f    4.849000      0.3559000       4.317000 0.5305000       5.381000      0.4745000      -1.063000      0.7117000
  1 1 1      24   25   17 o    9.438000      0.2530000       9.452000 0.3360000       9.423000      0.3783000      0.2909000E-01  0.5060000
  1 1 1      24   25   18 o    3.550000      0.5590000       3.740000 0.7260000       3.361000      0.8503000      0.3784000       1.118000
  1 1 1      24   25   19 o    2.038000      0.5862000       2.281000 0.8502000       1.795000      0.8073000      0.4855000       1.172000
  1 1 1      24   25   20 o    3.890000      0.6132000       3.677000 0.8496000       4.104000      0.8845000     -0.4266000       1.226000
  1 1 1      24   25   21 o    1.917000      0.6036000       1.764000 0.7988000       2.071000      0.9052000     -0.3062000       1.207000
  1 1 1      24   25   22 o    2.314000      0.6528000       2.639000 0.9409000       1.989000      0.9051000      0.6508000       1.306000
  1 1 1      24   25   23 o    1.685000      0.5654000       1.369000 0.6717000       2.001000      0.9096000     -0.6315000       1.131000
  1 1 1      24   25   24 o    2.687000      0.6982000       2.229000 0.9063000       3.145000       1.062000     -0.9152000       1.396000
  1 1 1      24   26    0 o    3.885000      0.5540000       3.445000 0.9104000       4.324000      0.6314000     -0.8796000       1.108000
  1 1 1      24   26    1 o    3.353000      0.7310000                  ?       ?   3.353000      0.7310000                  ?              ?
  1 1 1      24   26    2 f    3.119000      0.5826000       2.615000 0.9134000       3.623000      0.7236000      -1.008000       1.165000
  1 1 1      24   26    3 o    9.657000      0.2742000       9.899000 0.4027000       9.415000      0.3722000      0.4835000      0.5484000
  1 1 1      24   26    4 o    3.989000      0.4736000       3.686000 0.7504000       4.293000      0.5779000     -0.6071000      0.9472000
  1 1 1      24   26    5 o    4.007000      0.4585000       3.794000 0.7245000       4.219000      0.5620000     -0.4255000      0.9170000
  1 1 1      24   26    6 o    1.492000      0.4851000       1.571000 0.7185000       1.414000      0.6519000      0.1567000      0.9702000
  1 1 1      24   26    7 o    2.367000      0.5462000       2.008000 0.8001000       2.725000      0.7437000     -0.7173000       1.092000
  1 1 1      24   26    8 o    3.505000      0.4503000       3.695000 0.6448000       3.315000      0.6289000      0.3797000      0.9007000
  1 1 1      24   26    9 o    1.976000      0.5263000       2.129000 0.7700000       1.822000      0.7177000      0.3067000       1.053000
  1 1 1      24   26   10 o    4.019000      0.3980000       3.936000 0.5952000       4.103000      0.5286000     -0.1670000      0.7960000
  1 1 1      24   26   11 o    2.917000      0.5244000       2.876000 0.7692000       2.958000      0.7129000     -0.8193000E-01   1.049000
  1 1 1      24   26   12 o    2.572000      0.5171000       2.126000 0.7907000       3.018000      0.6667000     -0.8917000       1.034000
  1 1 1      24   26   13 o    3.333000      0.4751000       3.264000 0.7094000       3.403000      0.6322000     -0.1392000      0.9502000
  1 1 1      24   26   14 o    3.871000      0.4572000       3.473000 0.6915000       4.269000      0.5982000     -0.7955000      0.9143000
  1 1 1      24   26   15 o    2.980000      0.5349000       3.486000 0.6681000       2.473000      0.8357000       1.014000       1.070000
  1 1 1      24   26   16 o    1.953000      0.5557000       1.575000 0.6979000       2.330000      0.8649000     -0.7559000       1.111000
  1 1 1      24   26   17 o    2.140000      0.5925000       1.612000 0.7189000       2.667000      0.9419000      -1.055000       1.185000
  1 1 1      24   26   18 o    2.214000      0.6154000       2.092000 0.8285000       2.336000      0.9101000     -0.2442000       1.231000
  1 1 1      24   26   19 o    2.583000      0.6094000       3.281000 0.8727000       1.886000      0.8507000       1.395000       1.219000
  1 1 1      24   26   20 o    2.553000      0.6682000       1.981000 0.8506000       3.124000       1.031000      -1.142000       1.336000
  1 1 1      24   26   21 o    1.860000      0.5976000       1.616000 0.7560000       2.103000      0.9258000     -0.4869000       1.195000
  1 1 1      24   26   22 o    2.477000      0.6646000       2.897000 0.9471000       2.057000      0.9326000      0.8403000       1.329000
  1 1 1      24   26   23 o    2.003000      0.6349000       2.003000 0.8765000       2.003000      0.9188000      0.6969000E-03   1.270000
  1 1 1      24   27    0 o    4.237000      0.7903000       3.669000 1.062000       4.805000       1.171000      -1.136000       1.581000
  1 1 1      24   27    1 o    6.203000      0.4970000                  ?       ?   6.203000      0.4970000                  ?              ?
  1 1 1      24   27    2 o    4.645000      0.4397000       4.787000 0.6845000       4.502000      0.5522000      0.2847000      0.8794000
  1 1 1      24   27    3 o    4.093000      0.4718000       4.417000 0.6707000       3.768000      0.6637000      0.6491000      0.9436000
  1 1 1      24   27    4 o    3.648000      0.5188000       3.590000 0.7824000       3.705000      0.6815000     -0.1150000       1.038000
  1 1 1      24   27    5 o    5.591000      0.3407000       5.626000 0.5063000       5.556000      0.4562000      0.7030000E-01  0.6815000
  1 1 1      24   27    6 o    2.607000      0.5530000       2.361000 0.8550000       2.853000      0.7014000     -0.4921000       1.106000
  1 1 1      24   27    7 o    2.874000      0.5314000       2.818000 0.7966000       2.929000      0.7036000     -0.1114000       1.063000
  1 1 1      24   27    8 o    1.923000      0.5269000       1.732000 0.7308000       2.115000      0.7592000     -0.3837000       1.054000
  1 1 1      24   27    9 o    2.973000      0.5173000       3.186000 0.7261000       2.760000      0.7369000      0.4257000       1.035000
  1 1 1      24   27   10 o    2.727000      0.5364000       2.341000 0.8040000       3.112000      0.7104000     -0.7716000       1.073000
  1 1 1      24   27   11 o    2.674000      0.5149000       3.382000 0.6971000       1.966000      0.7581000       1.416000       1.030000
  1 1 1      24   27   12 o    1.504000      0.4812000       1.419000 0.6563000       1.590000      0.7039000     -0.1714000      0.9624000
  1 1 1      24   27   13 o    4.924000      0.3693000       4.962000 0.5088000       4.886000      0.5355000      0.7637000E-01  0.7387000
  1 1 1      24   27   14 o    2.146000      0.5673000       2.106000 0.7978000       2.187000      0.8068000     -0.8087000E-01   1.135000
  1 1 1      24   27   15 o    3.771000      0.5009000       4.055000 0.6207000       3.487000      0.7864000      0.5684000       1.002000
  1 1 1      24   27   16 o    2.212000      0.6072000       2.258000 0.8359000       2.166000      0.8809000      0.9273000E-01   1.214000
  1 1 1      24   27   17 o    5.183000      0.4824000       6.137000 0.4799000       4.228000      0.8370000       1.910000      0.9648000
  1 1 1      24   27   18 o    1.970000      0.5958000       2.160000 0.8724000       1.780000      0.8115000      0.3802000       1.192000
  1 1 1      24   27   19 o    1.883000      0.6000000       1.507000 0.7204000       2.259000      0.9598000     -0.7514000       1.200000
  1 1 1      24   27   20 o    2.203000      0.6550000       1.997000 0.8603000       2.409000      0.9880000     -0.4118000       1.310000
  1 1 1      24   27   21 o    2.410000      0.6814000       1.928000 0.8469000       2.891000       1.068000     -0.9625000       1.363000
  1 1 1      24   27   22 o    2.595000      0.7110000       2.415000 0.9490000       2.774000       1.059000     -0.3583000       1.422000
  1 1 1      24   28    0 o    5.015000      0.4798000       6.219000 0.5649000       3.810000      0.7757000       2.409000      0.9596000
  1 1 1      24   28    1 o    7.900000      0.7541000                  ?       ?   7.900000      0.7541000                  ?              ?
  1 1 1      24   28    2 o    3.131000      0.6894000       1.714000 0.8112000       4.548000       1.115000      -2.834000       1.379000
  1 1 1      24   28    3 o    3.388000      0.7814000       3.620000 0.9738000       3.156000       1.222000      0.4648000       1.563000
  1 1 1      24   28    4 o    2.835000      0.5915000       2.572000 0.8754000       3.099000      0.7959000     -0.5271000       1.183000
  1 1 1      24   28    5 o    3.571000      0.5156000       2.961000 0.8439000       4.182000      0.5926000      -1.221000       1.031000
  1 1 1      24   28    6 o    2.511000      0.5682000       2.353000 0.8443000       2.668000      0.7607000     -0.3149000       1.136000
  1 1 1      24   28    7 o    3.871000      0.4547000       3.998000 0.6472000       3.744000      0.6388000      0.2538000      0.9094000
  1 1 1      24   28    8 o    1.847000      0.5382000       1.963000 0.7929000       1.731000      0.7278000      0.2318000       1.076000
  1 1 1      24   28    9 o    3.508000      0.5014000       2.925000 0.8120000       4.090000      0.5883000      -1.165000       1.003000
  1 1 1      24   28   10 o    3.224000      0.5282000       3.574000 0.7496000       2.875000      0.7444000      0.6993000       1.056000
  1 1 1      24   28   11 o    4.132000      0.4450000       3.777000 0.7228000       4.487000      0.5193000     -0.7093000      0.8900000
  1 1 1      24   28   12 o    3.640000      0.5170000       3.020000 0.8407000       4.261000      0.6021000      -1.240000       1.034000
  1 1 1      24   28   13 o    3.834000      0.4956000       4.516000 0.6075000       3.152000      0.7833000       1.364000      0.9913000
  1 1 1      24   28   14 o    5.156000      0.3984000       4.703000 0.6074000       5.609000      0.5158000     -0.9059000      0.7969000
  1 1 1      24   28   15 f    4.847000      0.4614000       5.689000 0.5134000       4.004000      0.7668000       1.684000      0.9228000
  1 1 1      24   28   16 f    2.687000      0.6539000       2.889000 0.9105000       2.485000      0.9390000      0.4039000       1.308000
  1 1 1      24   28   17 o    3.701000      0.5927000       4.634000 0.7195000       2.769000      0.9421000       1.864000       1.185000
  1 1 1      24   28   18 o    2.611000      0.6766000       2.844000 0.9648000       2.379000      0.9489000      0.4644000       1.353000
  1 1 1      24   28   19 o    2.552000      0.6883000       2.146000 0.9080000       2.958000       1.035000     -0.8124000       1.377000
  1 1 1      24   28   20 o    2.662000      0.6980000       2.945000 0.9810000       2.380000      0.9934000      0.5651000       1.396000
  1 1 1      24   28   21 o    2.362000      0.6874000       2.463000 0.9534000       2.262000      0.9906000      0.2004000       1.375000
  1 1 1      24   29    0 o    2.509000      0.6943000       2.808000 1.099000       2.209000      0.8486000      0.5990000       1.389000
  1 1 1      24   29    1 o    1.863000      0.5520000       1.538000 0.7328000       2.188000      0.8257000     -0.6496000       1.104000
  1 1 1      24   29    2 f    3.958000      0.5397000       3.414000 0.8828000       4.502000      0.6210000      -1.088000       1.079000
  1 1 1      24   29    3 o    2.952000      0.6103000       3.029000 0.9055000       2.874000      0.8185000      0.1549000       1.221000
  1 1 1      24   29    4 o    4.674000      0.7315000       5.130000 0.8396000       4.219000       1.198000      0.9103000       1.463000
  1 1 1      24   29    5 o    3.457000      0.6963000       4.477000 0.9035000       2.438000       1.060000       2.039000       1.393000
  1 1 1      24   29    6 o    3.479000      0.7517000       2.831000 0.9892000       4.128000       1.132000      -1.297000       1.503000
  1 1 1      24   29    7 o    2.830000      0.5261000       3.152000 0.8026000       2.508000      0.6806000      0.6440000       1.052000
  1 1 1      24   29    8 f    2.189000      0.5575000       1.798000 0.7750000       2.580000      0.8017000     -0.7825000       1.115000
  1 1 1      24   29    9 f    3.315000      0.5495000       3.188000 0.8034000       3.442000      0.7499000     -0.2532000       1.099000
  1 1 1      24   29   10 o    2.801000      0.5894000       2.516000 0.8485000       3.086000      0.8184000     -0.5693000       1.179000
  1 1 1      24   29   11 o    5.052000      0.4013000       4.572000 0.6032000       5.533000      0.5294000     -0.9606000      0.8026000
  1 1 1      24   29   12 o    2.932000      0.6204000       2.677000 0.8719000       3.188000      0.8828000     -0.5112000       1.241000
  1 1 1      24   29   13 o    2.487000      0.6259000       2.237000 0.8748000       2.738000      0.8953000     -0.5010000       1.252000
  1 1 1      24   29   14 o    2.580000      0.6197000       2.079000 0.8608000       3.082000      0.8918000      -1.002000       1.239000
  1 1 1      24   29   15 o    2.552000      0.6255000       3.195000 0.9323000       1.910000      0.8342000       1.285000       1.251000
  1 1 1      24   29   16 o    2.720000      0.6667000       2.333000 0.9245000       3.107000      0.9607000     -0.7739000       1.333000
  1 1 1      24   29   17 o    2.185000      0.6365000       2.490000 0.9513000       1.880000      0.8458000      0.6106000       1.273000
  1 1 1      24   29   18 o    3.471000      0.7136000       3.363000 0.9758000       3.580000       1.042000     -0.2166000       1.427000
  1 1 1      24   29   19 o    2.410000      0.6780000       2.662000 0.9663000       2.158000      0.9514000      0.5034000       1.356000
  1 1 1      24   29   20 o    1.794000      0.5910000       1.876000 0.8539000       1.712000      0.8174000      0.1638000       1.182000
  1 1 1      24   30    0 o    2.189000      0.6298000       2.304000 0.9213000       2.074000      0.8590000      0.2302000       1.260000
  1 1 1      24   30    1 o    2.148000      0.6643000       2.253000 1.005000       2.044000      0.8692000      0.2093000       1.329000
  1 1 1      24   30    2 f    3.454000      0.7073000       3.244000 1.168000       3.664000      0.7984000     -0.4204000       1.415000
  1 1 1      24   30    3 o    5.262000      0.5159000       4.965000 0.8591000       5.560000      0.5714000     -0.5951000       1.032000
  1 1 1      24   30    4 o    1.844000      0.5560000       1.748000 0.7718000       1.940000      0.8004000     -0.1919000       1.112000
  1 1 1      24   30    5 o    1.775000      0.5464000       1.914000 0.8159000       1.636000      0.7269000      0.2780000       1.093000
  1 1 1      24   30    6 o    2.976000      0.5932000       2.792000 0.8618000       3.160000      0.8154000     -0.3682000       1.186000
  1 1 1      24   30    7 o    1.847000      0.5565000       1.751000 0.7862000       1.943000      0.7878000     -0.1919000       1.113000
  1 1 1      24   30    8 o    2.999000      0.7614000       3.061000 0.9936000       2.936000       1.154000      0.1253000       1.523000
  1 1 1      24   30    9 o    2.287000      0.7120000       2.070000 0.8910000       2.505000       1.111000     -0.4346000       1.424000
  1 1 1      24   30   10 f    2.360000      0.7132000       2.473000 0.9666000       2.247000       1.049000      0.2255000       1.426000
  1 1 1      24   30   11 o    2.849000      0.7957000       2.687000 1.007000       3.011000       1.232000     -0.3243000       1.591000
  1 1 1      24   30   12 o    3.604000      0.6855000       4.254000 0.6374000       2.955000       1.214000       1.299000       1.371000
  1 1 1      24   30   13 o    2.133000      0.6146000       1.762000 0.8034000       2.505000      0.9302000     -0.7430000       1.229000
  1 1 1      24   30   14 o    2.021000      0.6175000       2.028000 0.8840000       2.014000      0.8623000      0.1373000E-01   1.235000
  1 1 1      24   30   15 o    2.842000      0.6678000       3.220000 0.9597000       2.464000      0.9288000      0.7551000       1.336000
  1 1 1      24   30   16 o    2.617000      0.6388000       3.317000 0.9459000       1.917000      0.8586000       1.400000       1.278000
  1 1 1      24   30   17 f    2.149000      0.6324000       1.557000 0.7432000       2.741000       1.023000      -1.184000       1.265000
  1 1 1      24   30   18 o    3.115000      0.7039000       3.865000 1.001000       2.365000      0.9902000       1.500000       1.408000
  1 1 1      24   30   19 o    2.578000      0.7154000       2.778000 1.029000       2.378000      0.9938000      0.4000000       1.431000
  1 1 1      24   31    0 o    1.974000      0.8585000       1.974000 0.8585000                  ?              ?              ?              ?
  1 1 1      24   31    1 o    4.082000      0.5770000       3.542000 0.9312000       4.622000      0.6815000      -1.079000       1.154000
  1 1 1      24   31    2 o    2.222000      0.5940000       2.914000 0.9542000       1.530000      0.7078000       1.384000       1.188000
  1 1 1      24   31    3 o    1.446000      0.4849000       1.455000 0.6986000       1.438000      0.6727000      0.1701000E-01  0.9698000
  1 1 1      24   31    4 o    2.614000      0.6124000       2.335000 0.8582000       2.893000      0.8738000     -0.5578000       1.225000
  1 1 1      24   31    5 o    4.174000      0.6544000       3.290000 1.108000       5.058000      0.6970000      -1.768000       1.309000
  1 1 1      24   31    6 o    3.356000      0.6373000       2.404000 1.046000       4.308000      0.7292000      -1.904000       1.275000
  1 1 1      24   31    7 o    3.376000      0.7090000       2.993000 1.097000       3.759000      0.8987000     -0.7654000       1.418000
  1 1 1      24   31    8 o    3.490000      0.5734000       3.392000 0.8487000       3.587000      0.7712000     -0.1950000       1.147000
  1 1 1      24   31    9 o    2.323000      0.6268000       2.027000 0.8495000       2.618000      0.9218000     -0.5911000       1.254000
  1 1 1      24   31   10 o    2.035000      0.6013000       1.981000 0.8467000       2.089000      0.8540000     -0.1080000       1.203000
  1 1 1      24   31   11 o    3.495000      0.6335000       3.738000 0.8789000       3.251000      0.9126000      0.4872000       1.267000
  1 1 1      24   31   12 o    4.286000      0.5860000       3.004000 0.9906000       5.567000      0.6266000      -2.563000       1.172000
  1 1 1      24   31   13 o    2.624000      0.6775000       2.455000 0.9524000       2.794000      0.9639000     -0.3394000       1.355000
  1 1 1      24   31   14 o    2.024000      0.6353000       2.521000 1.049000       1.527000      0.7168000      0.9935000       1.271000
  1 1 1      24   31   15 o    2.518000      0.7695000       2.501000 1.040000       2.534000       1.134000     -0.3308000E-01   1.539000
  1 1 1      24   31   16 o    2.909000      0.8315000       2.848000 1.117000       2.970000       1.232000     -0.1222000       1.663000
  1 1 1      24   31   17 o    3.313000      0.8392000       3.091000 1.144000       3.535000       1.228000     -0.4437000       1.678000
  1 1 1      24   32    0 o    2.304000      0.9317000       2.304000 0.9317000                  ?              ?              ?              ?
  1 1 1      24   32    1 o    4.201000      0.5685000       3.289000 0.9401000       5.114000      0.6394000      -1.824000       1.137000
  1 1 1      24   32    2 o    3.375000      0.8831000                  ?       ?   3.375000      0.8831000                  ?              ?
  1 1 1      24   32    3 o    2.647000      0.6502000       2.623000 0.9354000       2.671000      0.9034000     -0.4739000E-01   1.300000
  1 1 1      24   32    4 o    3.763000      0.6118000       3.569000 0.9109000       3.956000      0.8169000     -0.3872000       1.224000
  1 1 1      24   32    5 o    2.770000      0.5571000       1.749000 0.7964000       3.790000      0.7792000      -2.042000       1.114000
  1 1 1      24   32    6 o    3.382000      0.6363000       2.929000 0.9523000       3.835000      0.8441000     -0.9065000       1.273000
  1 1 1      24   32    7 o    3.909000      0.6071000       3.512000 0.9740000       4.305000      0.7250000     -0.7926000       1.214000
  1 1 1      24   32    8 o    4.836000      0.5090000       4.462000 0.7771000       5.210000      0.6577000     -0.7479000       1.018000
  1 1 1      24   32    9 o    2.920000      0.7469000       2.587000 1.099000       3.253000       1.011000     -0.6661000       1.494000
  1 1 1      24   32   10 o    3.860000      0.7406000       4.726000 1.049000       2.995000       1.046000       1.731000       1.481000
  1 1 1      24   32   11 o    3.630000      0.7885000       3.677000 1.224000       3.583000      0.9940000      0.9413000E-01   1.577000
  1 1 1      24   32   12 o    5.441000      0.6853000       5.967000 1.021000       4.914000      0.9142000       1.053000       1.371000
  1 1 1      24   32   13 o    3.395000      0.8101000       3.148000 1.236000       3.642000       1.047000     -0.4945000       1.620000
  1 1 1      24   32   14 o    3.647000      0.7888000       4.546000 1.249000       2.748000      0.9642000       1.797000       1.578000
  1 1 1      24   32   15 o    2.506000      0.6846000       2.869000 1.014000       2.142000      0.9197000      0.7271000       1.369000
  1 1 1      24   32   16 f    2.328000      0.7364000       1.986000 0.9040000       2.670000       1.163000     -0.6837000       1.473000
  1 1 1      24   33    0 o    3.055000      0.6654000       3.260000 1.012000       2.850000      0.8637000      0.4100000       1.331000
  1 1 1      24   33    1 o    4.134000      0.6456000       4.255000 0.9393000       4.013000      0.8859000      0.2423000       1.291000
  1 1 1      24   33    2 o    2.954000      0.7425000       3.178000 1.136000       2.729000      0.9565000      0.4486000       1.485000
  1 1 1      24   33    3 o    2.687000      0.6814000       2.516000 0.9967000       2.858000      0.9295000     -0.3414000       1.363000
  1 1 1      24   33    4 o    2.487000      0.6748000       2.666000 0.9972000       2.309000      0.9093000      0.3573000       1.350000
  1 1 1      24   33    5 o    3.568000      0.6728000       3.494000 0.9644000       3.643000      0.9385000     -0.1491000       1.346000
  1 1 1      24   33    6 o    2.828000      0.6879000       3.151000 1.009000       2.506000      0.9351000      0.6451000       1.376000
  1 1 1      24   33    7 o    3.773000      0.6342000       3.781000 0.9499000       3.765000      0.8405000      0.1589000E-01   1.268000
  1 1 1      24   33    8 o    2.722000      0.6747000       3.271000 0.9849000       2.172000      0.9224000       1.099000       1.349000
  1 1 1      24   33    9 o    3.821000      0.6401000       3.334000 1.011000       4.308000      0.7854000     -0.9743000       1.280000
  1 1 1      24   33   10 o    3.219000      0.6854000       2.863000 1.001000       3.575000      0.9362000     -0.7117000       1.371000
  1 1 1      24   33   11 f    3.499000      0.6761000       3.236000 1.001000       3.763000      0.9088000     -0.5265000       1.352000
  1 1 1      24   33   12 o    2.663000      0.6837000       3.271000 1.025000       2.056000      0.9053000       1.215000       1.367000
  1 1 1      24   33   13 o    3.278000      0.7275000       3.173000 1.058000       3.383000      0.9994000     -0.2099000       1.455000
  1 1 1      24   33   14 o    2.244000      0.6750000       2.385000 0.9887000       2.102000      0.9193000      0.2828000       1.350000
  1 1 1      24   34    0 o    2.531000      0.6710000       3.130000 1.018000       1.932000      0.8740000       1.198000       1.342000
  1 1 1      24   34    1 o    3.336000      0.6466000       4.326000 0.8845000       2.347000      0.9433000       1.980000       1.293000
  1 1 1      24   34    2 o    2.113000      0.6459000       2.020000 0.8923000       2.206000      0.9342000     -0.1852000       1.292000
  1 1 1      24   34    3 o    2.314000      0.6726000       2.140000 0.9227000       2.488000      0.9789000     -0.3474000       1.345000
  1 1 1      24   34    4 o    2.328000      0.6235000       1.578000 0.7611000       3.078000      0.9877000      -1.500000       1.247000
  1 1 1      24   34    5 o    3.190000      0.6915000       2.945000 1.008000       3.435000      0.9472000     -0.4905000       1.383000
  1 1 1      24   34    6 o    3.053000      0.7065000       2.757000 1.034000       3.350000      0.9634000     -0.5928000       1.413000
  1 1 1      24   34    7 o    1.986000      0.6216000       1.970000 0.8984000       2.002000      0.8594000     -0.3178000E-01   1.243000
  1 1 1      24   34    8 o    2.738000      0.6939000       3.277000 1.043000       2.199000      0.9160000       1.077000       1.388000
  1 1 1      24   34    9 o    2.540000      0.6774000       2.997000 1.021000       2.084000      0.8900000      0.9133000       1.355000
  1 1 1      24   34   10 o    1.682000      0.5581000       1.551000 0.7542000       1.813000      0.8229000     -0.2624000       1.116000
  1 1 1      24   34   11 o    2.797000      0.6749000       3.717000 1.042000       1.877000      0.8584000       1.840000       1.350000
  1 1 1      24   34   12 o    2.782000       1.213000                  ?       ?   2.782000       1.213000                  ?              ?
  1 1 1      24   35    0 o    2.912000      0.7125000       2.593000 1.008000       3.230000       1.008000     -0.6372000       1.425000
  1 1 1      24   35    1 o    2.414000      0.6966000       2.261000 0.9597000       2.568000       1.010000     -0.3068000       1.393000
  1 1 1      24   35    2 o    2.656000      0.7077000       2.332000 0.9857000       2.979000       1.016000     -0.6469000       1.415000
  1 1 1      24   35    3 o    2.668000      0.6880000       2.143000 0.9435000       3.193000       1.002000      -1.050000       1.376000
  1 1 1      24   35    4 o    2.560000      0.6822000       2.086000 0.9254000       3.035000       1.003000     -0.9486000       1.364000
  1 1 1      24   35    5 o    1.974000      0.6278000       2.039000 0.9133000       1.908000      0.8618000      0.1310000       1.256000
  1 1 1      24   35    6 o    2.391000      0.6630000       1.900000 0.8846000       2.883000      0.9879000     -0.9826000       1.326000
  1 1 1      24   35    7 f    2.762000      0.7260000       2.774000 1.038000       2.750000       1.015000      0.2443000E-01   1.452000
  1 1 1      24   35    8 o    2.619000      0.7102000       2.737000 1.018000       2.501000      0.9907000      0.2354000       1.420000
  1 1 1      24   35    9 o    3.037000       1.275000                  ?       ?   3.037000       1.275000                  ?              ?
  1 1 1      24   36    0 o    2.219000      0.6790000       2.128000 0.9519000       2.310000      0.9687000     -0.1822000       1.358000
  1 1 1      24   36    1 o    2.815000       1.082000       2.815000 1.082000                  ?              ?              ?              ?
  1 1 1      24   36    2 o    2.923000      0.8032000       3.173000 1.092000       2.673000       1.178000      0.5000000       1.606000
  1 1 1      24   36    3 o    2.703000      0.8216000       2.198000 0.9579000       3.207000       1.335000      -1.009000       1.643000
  1 1 1      24   36    4 o    2.992000       1.317000                  ?       ?   2.992000       1.317000                  ?              ?
  1 1 1      25  -14    0 o    3.855000       1.110000                  ?       ?   3.855000       1.110000                  ?              ?
  1 1 1      25  -14    1 o    2.808000       1.090000                  ?       ?   2.808000       1.090000                  ?              ?
  1 1 1      25  -13    0 o    4.219000      0.5629000       4.551000 0.7706000       3.887000      0.8208000      0.6643000       1.126000
  1 1 1      25  -13    1 o    2.825000      0.6380000       3.295000 0.9182000       2.355000      0.8861000      0.9403000       1.276000
  1 1 1      25  -13    2 o    4.285000      0.6351000       3.985000 1.092000       4.584000      0.6494000     -0.5991000       1.270000
  1 1 1      25  -13    3 o    1.965000      0.6453000       1.904000 0.8973000       2.026000      0.9277000     -0.1215000       1.291000
  1 1 1      25  -13    4 o    2.227000      0.5773000       1.514000 0.7226000       2.941000      0.9005000      -1.427000       1.155000
  1 1 1      25  -13    5 o    4.246000      0.5571000       4.249000 0.7766000       4.243000      0.7991000      0.5305000E-02   1.114000
  1 1 1      25  -13    6 o    4.495000      0.6925000       3.614000 1.135000       5.375000      0.7937000      -1.762000       1.385000
  1 1 1      25  -13    7 o    5.687000      0.5853000       5.605000 0.8794000       5.769000      0.7725000     -0.1640000       1.171000
  1 1 1      25  -12    0 o    5.518000      0.4384000       6.196000 0.5435000       4.840000      0.6882000       1.356000      0.8769000
  1 1 1      25  -12    1 o    2.608000      0.7519000       2.722000 1.055000       2.495000       1.072000      0.2269000       1.504000
  1 1 1      25  -12    2 o    3.719000      0.5886000       3.533000 0.8706000       3.905000      0.7923000     -0.3720000       1.177000
  1 1 1      25  -12    3 o    3.674000      0.5824000       3.335000 0.8960000       4.014000      0.7444000     -0.6797000       1.165000
  1 1 1      25  -12    4 o    4.217000      0.6793000       3.749000 1.090000       4.685000      0.8113000     -0.9355000       1.359000
  1 1 1      25  -12    5 o    4.432000      0.6476000       3.749000 1.037000       5.116000      0.7756000      -1.367000       1.295000
  1 1 1      25  -12    6 o    2.624000      0.5613000       1.741000 0.7796000       3.507000      0.8078000      -1.766000       1.123000
  1 1 1      25  -12    7 o    2.629000      0.6222000       2.369000 0.8876000       2.889000      0.8723000     -0.5198000       1.244000
  1 1 1      25  -12    8 o    3.065000      0.5770000       3.895000 0.7729000       2.235000      0.8571000       1.661000       1.154000
  1 1 1      25  -12    9 o    1.777000      0.5524000       1.516000 0.7193000       2.038000      0.8386000     -0.5224000       1.105000
  1 1 1      25  -12   10 o    6.245000      0.3785000       6.910000 0.4896000       5.580000      0.5775000       1.330000      0.7571000
  1 1 1      25  -12   11 o    3.013000       1.114000                  ?       ?   3.013000       1.114000                  ?              ?
  1 1 1      25  -11    0 o    1.682000      0.5773000       1.314000 0.6380000       2.050000      0.9624000     -0.7357000       1.155000
  1 1 1      25  -11    1 o    5.758000      0.4097000       6.463000 0.5225000       5.053000      0.6314000       1.410000      0.8195000
  1 1 1      25  -11    2 o    2.956000      0.6387000       3.327000 0.8427000       2.586000      0.9601000      0.7411000       1.277000
  1 1 1      25  -11    3 o    3.981000      0.6520000       2.874000 1.089000       5.089000      0.7176000      -2.215000       1.304000
  1 1 1      25  -11    4 o    9.155000      0.2998000       9.211000 0.4192000       9.100000      0.4286000      0.1105000      0.5995000
  1 1 1      25  -11    5 f    6.935000      0.3394000       7.242000 0.4699000       6.628000      0.4900000      0.6140000      0.6789000
  1 1 1      25  -11    6 o    2.725000      0.6317000       2.725000 0.8915000       2.725000      0.8952000      0.4566000E-03   1.263000
  1 1 1      25  -11    7 o    4.400000      0.4735000       4.578000 0.6482000       4.222000      0.6903000      0.3559000      0.9469000
  1 1 1      25  -11    8 o    2.464000      0.5677000       1.788000 0.7855000       3.140000      0.8198000      -1.352000       1.135000
  1 1 1      25  -11    9 o    3.633000      0.5292000       2.789000 0.8747000       4.477000      0.5960000      -1.688000       1.058000
  1 1 1      25  -11   10 o    4.060000      0.4897000       3.902000 0.7251000       4.218000      0.6584000     -0.3163000      0.9794000
  1 1 1      25  -11   11 o    2.759000      0.6314000       2.860000 0.8867000       2.657000      0.8990000      0.2030000       1.263000
  1 1 1      25  -11   12 o    3.752000      0.5578000       3.728000 0.7758000       3.776000      0.8017000     -0.4791000E-01   1.116000
  1 1 1      25  -11   13 o    2.901000      0.6051000       2.498000 0.8624000       3.303000      0.8489000     -0.8049000       1.210000
  1 1 1      25  -10    0 o    2.986000      0.6388000       2.702000 0.9336000       3.270000      0.8721000     -0.5677000       1.278000
  1 1 1      25  -10    1 o    6.152000      0.4728000       5.712000 0.7612000       6.592000      0.5611000     -0.8805000      0.9457000
  1 1 1      25  -10    2 o    3.898000      0.5358000       3.750000 0.7852000       4.046000      0.7292000     -0.2964000       1.072000
  1 1 1      25  -10    3 o    2.309000      0.6019000       2.119000 0.8467000       2.500000      0.8558000     -0.3808000       1.204000
  1 1 1      25  -10    4 o    5.011000      0.4147000       4.750000 0.6149000       5.271000      0.5565000     -0.5218000      0.8294000
  1 1 1      25  -10    5 o    2.059000      0.5799000       1.915000 0.8061000       2.202000      0.8337000     -0.2870000       1.160000
  1 1 1      25  -10    6 o    4.457000      0.6736000       5.219000 0.5665000       3.695000       1.222000       1.524000       1.347000
  1 1 1      25  -10    7 o    4.520000      0.4698000       3.590000 0.7717000       5.450000      0.5362000      -1.860000      0.9397000
  1 1 1      25  -10    8 o    2.111000      0.5571000       2.709000 0.8684000       1.513000      0.6980000       1.196000       1.114000
  1 1 1      25  -10    9 o    1.671000      0.5215000       1.476000 0.6898000       1.865000      0.7823000     -0.3890000       1.043000
  1 1 1      25  -10   10 o    3.075000      0.5742000       2.601000 0.8549000       3.548000      0.7667000     -0.9463000       1.148000
  1 1 1      25  -10   11 o    4.039000      0.4739000       4.510000 0.5917000       3.567000      0.7403000      0.9436000      0.9477000
  1 1 1      25  -10   12 o    3.713000      0.5167000       3.687000 0.7265000       3.738000      0.7349000     -0.5036000E-01   1.033000
  1 1 1      25  -10   13 o    6.375000      0.4003000       5.898000 0.4908000       6.851000      0.6326000     -0.9535000      0.8007000
  1 1 1      25  -10   14 o    2.326000      0.6015000       2.247000 0.8574000       2.406000      0.8440000     -0.1587000       1.203000
  1 1 1      25  -10   15 o    1.846000      0.5531000       2.001000 0.8114000       1.692000      0.7519000      0.3088000       1.106000
  1 1 1      25   -9    0 o    2.152000      0.6546000       2.288000 0.9819000       2.016000      0.8661000      0.2719000       1.309000
  1 1 1      25   -9    1 o    2.149000      0.5951000       1.788000 0.7964000       2.511000      0.8846000     -0.7226000       1.190000
  1 1 1      25   -9    2 o    2.281000      0.6118000       2.476000 0.8919000       2.086000      0.8376000      0.3903000       1.224000
  1 1 1      25   -9    3 o    5.193000      0.3988000       5.253000 0.5770000       5.132000      0.5506000      0.1203000      0.7975000
  1 1 1      25   -9    4 o    2.243000      0.5941000       1.928000 0.8151000       2.558000      0.8647000     -0.6302000       1.188000
  1 1 1      25   -9    5 o    10.01000      0.2740000       9.664000 0.3905000       10.35000      0.3844000     -0.6825000      0.5479000
  1 1 1      25   -9    6 o    8.038000      0.2910000       7.752000 0.4198000       8.325000      0.4030000     -0.5730000      0.5819000
  1 1 1      25   -9    7 o    3.160000      0.5643000       3.178000 0.8000000       3.143000      0.7961000      0.3542000E-01   1.129000
  1 1 1      25   -9    8 o    4.012000      0.4852000       3.994000 0.6772000       4.031000      0.6950000     -0.3719000E-01  0.9704000
  1 1 1      25   -9    9 o    1.903000      0.5528000       2.017000 0.7926000       1.789000      0.7709000      0.2272000       1.106000
  1 1 1      25   -9   10 o    5.944000      0.3286000       5.496000 0.4813000       6.392000      0.4474000     -0.8956000      0.6571000
  1 1 1      25   -9   11 o    5.410000      0.3570000       4.814000 0.5534000       6.006000      0.4510000      -1.192000      0.7139000
  1 1 1      25   -9   12 o    4.857000      0.3688000       4.931000 0.5217000       4.783000      0.5214000      0.1481000      0.7376000
  1 1 1      25   -9   13 o    4.985000      0.3956000       5.671000 0.4785000       4.300000      0.6301000       1.371000      0.7912000
  1 1 1      25   -9   14 o    5.143000      0.3881000       4.637000 0.6024000       5.649000      0.4894000      -1.012000      0.7761000
  1 1 1      25   -9   15 o    3.338000      0.5426000       3.625000 0.7186000       3.050000      0.8132000      0.5751000       1.085000
  1 1 1      25   -9   16 o    1.986000      0.6044000       2.428000 0.9473000       1.545000      0.7507000      0.8829000       1.209000
  1 1 1      25   -9   17 o    2.943000      0.9994000                  ?       ?   2.943000      0.9994000                  ?              ?
  1 1 1      25   -8    0 o    5.988000      0.3682000       5.407000 0.6032000       6.569000      0.4224000      -1.162000      0.7365000
  1 1 1      25   -8    1 o    4.458000      0.4662000       3.943000 0.7864000       4.974000      0.5010000      -1.031000      0.9324000
  1 1 1      25   -8    2 o    2.481000      0.6175000       2.967000 0.9010000       1.995000      0.8446000      0.9717000       1.235000
  1 1 1      25   -8    3 o    1.971000      0.5655000       1.652000 0.7548000       2.289000      0.8423000     -0.6369000       1.131000
  1 1 1      25   -8    4 o    8.587000      0.2844000       8.765000 0.4103000       8.409000      0.3941000      0.3560000      0.5689000
  1 1 1      25   -8    5 o    14.34000      0.3116000       14.05000 0.3845000       14.63000      0.4905000     -0.5770000      0.6233000
  1 1 1      25   -8    6 o    5.032000      0.3861000       5.197000 0.5422000       4.867000      0.5498000      0.3294000      0.7722000
  1 1 1      25   -8    7 o    4.678000      0.4296000       4.284000 0.6501000       5.073000      0.5619000     -0.7890000      0.8593000
  1 1 1      25   -8    8 o    4.551000      0.4274000       4.723000 0.5840000       4.378000      0.6241000      0.3445000      0.8547000
  1 1 1      25   -8    9 o    6.635000      0.3081000       6.450000 0.4342000       6.820000      0.4373000     -0.3700000      0.6162000
  1 1 1      25   -8   10 o    7.975000      0.2788000       8.314000 0.3791000       7.637000      0.4088000      0.6770000      0.5576000
  1 1 1      25   -8   11 o    5.305000      0.3518000       5.350000 0.4919000       5.261000      0.5031000      0.8891000E-01  0.7036000
  1 1 1      25   -8   12 f    5.182000      0.3617000       5.323000 0.5014000       5.040000      0.5214000      0.2829000      0.7234000
  1 1 1      25   -8   13 o    2.343000      0.5788000       2.640000 0.8333000       2.046000      0.8036000      0.5940000       1.158000
  1 1 1      25   -8   14 o    3.919000      0.7077000       3.209000 1.023000       4.629000      0.9777000      -1.420000       1.415000
  1 1 1      25   -8   15 o    2.514000      0.5732000       2.798000 0.8115000       2.230000      0.8098000      0.5676000       1.146000
  1 1 1      25   -8   16 o    2.074000      0.5727000       2.073000 0.8079000       2.076000      0.8118000     -0.2430000E-02   1.145000
  1 1 1      25   -8   17 o    3.260000      0.6530000       2.661000 0.8433000       3.859000      0.9972000      -1.198000       1.306000
  1 1 1      25   -8   18 o    3.539000      0.6566000       4.502000 0.8510000       2.576000       1.000000       1.926000       1.313000
  1 1 1      25   -7    0 o    3.699000      0.5312000       3.056000 0.9040000       4.341000      0.5582000      -1.285000       1.062000
  1 1 1      25   -7    1 o    2.283000      0.5586000       3.021000 0.8781000       1.545000      0.6907000       1.476000       1.117000
  1 1 1      25   -7    2 o    2.526000      0.5339000       1.887000 0.8156000       3.164000      0.6892000      -1.278000       1.068000
  1 1 1      25   -7    3 o    6.410000      0.3125000       6.692000 0.4687000       6.128000      0.4136000      0.5635000      0.6251000
  1 1 1      25   -7    4 o    11.51000      0.2573000       11.74000 0.3905000       11.28000      0.3353000      0.4558000      0.5147000
  1 1 1      25   -7    5 o    2.838000      0.6125000       3.092000 0.8453000       2.584000      0.8867000      0.5081000       1.225000
  1 1 1      25   -7    6 o    7.733000      0.2840000       7.592000 0.4071000       7.874000      0.3960000     -0.2819000      0.5680000
  1 1 1      25   -7    7 o    3.098000      0.5396000       2.483000 0.8343000       3.713000      0.6845000      -1.229000       1.079000
  1 1 1      25   -7    8 o    3.208000      0.6821000       1.596000 0.7230000       4.820000       1.157000      -3.224000       1.364000
  1 1 1      25   -7    9 o    8.044000      0.2815000       7.997000 0.3909000       8.091000      0.4052000     -0.9420000E-01  0.5630000
  1 1 1      25   -7   10 o    3.500000      0.5018000       3.622000 0.6974000       3.378000      0.7217000      0.2440000       1.004000
  1 1 1      25   -7   11 o    2.673000      0.5671000       3.219000 0.7998000       2.127000      0.8042000       1.092000       1.134000
  1 1 1      25   -7   12 o    2.194000      0.6848000       2.221000 0.9416000       2.167000      0.9946000      0.5412000E-01   1.370000
  1 1 1      25   -7   13 o    4.575000      0.3253000       4.969000 0.4699000       4.180000      0.4500000      0.7890000      0.6506000
  1 1 1      25   -7   14 o    4.717000      0.3721000       4.380000 0.5670000       5.055000      0.4819000     -0.6755000      0.7441000
  1 1 1      25   -7   15 o    2.665000      0.6004000       2.562000 0.7998000       2.767000      0.8956000     -0.2049000       1.201000
  1 1 1      25   -7   16 o    2.898000      0.6455000       3.456000 0.9148000       2.340000      0.9109000       1.116000       1.291000
  1 1 1      25   -7   17 o    2.152000      0.5464000       1.621000 0.7235000       2.683000      0.8190000      -1.062000       1.093000
  1 1 1      25   -7   18 o    3.311000      0.5343000       3.593000 0.7066000       3.029000      0.8017000      0.5647000       1.069000
  1 1 1      25   -7   19 o    1.694000      0.7381000       1.694000 0.7381000                  ?              ?              ?              ?
  1 1 1      25   -6    0 o    11.86000      0.2634000       12.22000 0.3972000       11.51000      0.3460000      0.7181000      0.5268000
  1 1 1      25   -6    1 o    8.250000      0.2806000       7.677000 0.4431000       8.823000      0.3445000      -1.146000      0.5613000
  1 1 1      25   -6    2 o    8.589000      0.2724000       8.791000 0.4172000       8.388000      0.3503000      0.4027000      0.5448000
  1 1 1      25   -6    3 o    9.054000      0.2628000       9.115000 0.4049000       8.994000      0.3352000      0.1211000      0.5256000
  1 1 1      25   -6    4 o    3.308000      0.5358000       3.495000 0.8042000       3.121000      0.7081000      0.3734000       1.072000
  1 1 1      25   -6    5 o    6.805000      0.2943000       7.017000 0.4466000       6.594000      0.3835000      0.4227000      0.5887000
  1 1 1      25   -6    6 o    9.310000      0.2523000       9.501000 0.3807000       9.119000      0.3312000      0.3822000      0.5046000
  1 1 1      25   -6    7 o    2.715000      0.5268000       3.400000 0.7479000       2.030000      0.7422000       1.371000       1.054000
  1 1 1      25   -6    8 o    4.000000      0.4324000       3.549000 0.7392000       4.452000      0.4489000     -0.9034000      0.8648000
  1 1 1      25   -6    9 o    6.249000      0.3310000       6.067000 0.4591000       6.430000      0.4770000     -0.3624000      0.6620000
  1 1 1      25   -6   10 o    2.819000      0.9743000       2.819000 0.9743000                  ?              ?              ?              ?
  1 1 1      25   -6   11 o    2.498000      0.7198000       2.721000 1.018000       2.275000       1.018000      0.4461000       1.440000
  1 1 1      25   -6   12 o    6.008000      0.3059000       6.274000 0.4316000       5.741000      0.4337000      0.5334000      0.6118000
  1 1 1      25   -6   13 o    3.854000      0.4271000       4.002000 0.6059000       3.705000      0.6020000      0.2978000      0.8541000
  1 1 1      25   -6   14 o    2.264000      0.6051000       2.610000 0.9250000       1.917000      0.7802000      0.6931000       1.210000
  1 1 1      25   -6   15 o    9.694000      0.3073000       9.814000 0.4550000       9.575000      0.4131000      0.2390000      0.6146000
  1 1 1      25   -6   16 o    3.862000      0.4298000       3.583000 0.6380000       4.141000      0.5762000     -0.5570000      0.8597000
  1 1 1      25   -6   17 o    4.530000      0.3643000       4.770000 0.4777000       4.290000      0.5501000      0.4800000      0.7286000
  1 1 1      25   -6   18 o    1.836000      0.5283000       2.032000 0.7713000       1.640000      0.7220000      0.3913000       1.057000
  1 1 1      25   -6   19 o    2.075000      0.5615000       2.414000 0.8018000       1.737000      0.7862000      0.6773000       1.123000
  1 1 1      25   -6   20 o    1.620000      0.4984000       1.869000 0.7559000       1.371000      0.6498000      0.4984000      0.9968000
  1 1 1      25   -5    0 o    5.605000      0.3503000       6.581000 0.4808000       4.628000      0.5097000       1.953000      0.7007000
  1 1 1      25   -5    1 o    5.578000      0.3332000       5.990000 0.5012000       5.166000      0.4390000      0.8242000      0.6663000
  1 1 1      25   -5    2 o    2.470000      0.5728000       2.401000 0.8632000       2.538000      0.7532000     -0.1365000       1.146000
  1 1 1      25   -5    3 o    3.560000      0.4697000       3.647000 0.7100000       3.474000      0.6149000      0.1730000      0.9393000
  1 1 1      25   -5    4 o    1.934000      0.5414000       2.020000 0.8036000       1.848000      0.7257000      0.1719000       1.083000
  1 1 1      25   -5    5 o    3.889000      0.4596000       3.385000 0.7835000       4.394000      0.4808000      -1.008000      0.9193000
  1 1 1      25   -5    6 o    4.751000      0.3566000       4.547000 0.5730000       4.956000      0.4248000     -0.4089000      0.7133000
  1 1 1      25   -5    7 o    1.943000      0.5360000       2.061000 0.8145000       1.825000      0.6971000      0.2365000       1.072000
  1 1 1      25   -5    8 o    10.33000      0.2460000       10.47000 0.3732000       10.19000      0.3207000      0.2725000      0.4920000
  1 1 1      25   -5    9 o    9.000000      0.3528000       9.260000 0.5169000       8.740000      0.4802000      0.5202000      0.7056000
  1 1 1      25   -5   10 o    4.262000      0.3878000       3.770000 0.6662000       4.754000      0.3973000     -0.9839000      0.7756000
  1 1 1      25   -5   11 o    4.265000      0.3558000       4.432000 0.5519000       4.098000      0.4493000      0.3336000      0.7117000
  1 1 1      25   -5   12 o    2.322000      0.5973000       2.923000 0.9461000       1.721000      0.7294000       1.202000       1.195000
  1 1 1      25   -5   13 o    6.555000      0.3509000       6.218000 0.5618000       6.892000      0.4207000     -0.6734000      0.7018000
  1 1 1      25   -5   14 f    5.150000      0.2999000       5.334000 0.4593000       4.965000      0.3856000      0.3686000      0.5997000
  1 1 1      25   -5   15 o    8.163000      0.2639000       8.490000 0.3444000       7.836000      0.3999000      0.6536000      0.5278000
  1 1 1      25   -5   16 f    5.231000      0.3246000       5.254000 0.4388000       5.209000      0.4784000      0.4521000E-01  0.6492000
  1 1 1      25   -5   17 o    4.824000      0.3297000       4.546000 0.4848000       5.103000      0.4470000     -0.5562000      0.6594000
  1 1 1      25   -5   18 o    2.508000      0.5223000       2.750000 0.7236000       2.267000      0.7535000      0.4827000       1.045000
  1 1 1      25   -5   19 o    3.639000      0.4493000       3.657000 0.6305000       3.621000      0.6402000      0.3639000E-01  0.8985000
  1 1 1      25   -5   20 o    1.805000      0.5229000       2.038000 0.7752000       1.572000      0.7019000      0.4652000       1.046000
  1 1 1      25   -5   21 o    1.891000      0.5351000       1.414000 0.6662000       2.369000      0.8376000     -0.9547000       1.070000
  1 1 1      25   -4    0 o    10.16000      0.2593000       10.22000 0.3937000       10.10000      0.3377000      0.1151000      0.5187000
  1 1 1      25   -4    1 o    7.010000      0.3001000       6.539000 0.4724000       7.482000      0.3703000     -0.9428000      0.6003000
  1 1 1      25   -4    2 o    15.45000      0.2705000       15.42000 0.3969000       15.47000      0.3675000     -0.5177000E-01  0.5410000
  1 1 1      25   -4    3 o    6.634000      0.2843000       6.719000 0.4362000       6.549000      0.3649000      0.1698000      0.5687000
  1 1 1      25   -4    4 o    9.614000      0.2539000       9.602000 0.3833000       9.626000      0.3330000     -0.2370000E-01  0.5077000
  1 1 1      25   -4    5 o    8.750000      0.2551000       8.576000 0.3884000       8.924000      0.3308000     -0.3477000      0.5102000
  1 1 1      25   -4    6 o    7.891000      0.2598000       7.730000 0.4046000       8.051000      0.3262000     -0.3208000      0.5197000
  1 1 1      25   -4    7 o    3.791000      0.5890000       3.097000 0.9687000       4.484000      0.6701000      -1.386000       1.178000
  1 1 1      25   -4    8 o    1.884000      0.5796000       1.900000 0.8418000       1.868000      0.7970000      0.3193000E-01   1.159000
  1 1 1      25   -4    9 o    3.837000      0.4203000       3.666000 0.6915000       4.009000      0.4779000     -0.3428000      0.8406000
  1 1 1      25   -4   10 o    4.235000      0.3687000       4.889000 0.5260000       3.582000      0.5169000       1.307000      0.7374000
  1 1 1      25   -4   11 o    4.916000      0.4292000       5.518000 0.6426000       4.315000      0.5690000       1.203000      0.8583000
  1 1 1      25   -4   12 o    5.243000      0.3096000       4.851000 0.5096000       5.635000      0.3519000     -0.7844000      0.6193000
  1 1 1      25   -4   13 o    5.730000      0.2702000       5.765000 0.4234000       5.695000      0.3357000      0.7017000E-01  0.5404000
  1 1 1      25   -4   14 o    1.587000      0.4728000       1.693000 0.7105000       1.481000      0.6241000      0.2125000      0.9457000
  1 1 1      25   -4   15 o    1.909000      0.4798000       2.460000 0.7511000       1.358000      0.5973000       1.103000      0.9596000
  1 1 1      25   -4   16 o    7.927000      0.2199000       7.760000 0.3408000       8.095000      0.2780000     -0.3350000      0.4398000
  1 1 1      25   -4   17 o    5.949000      0.2436000       6.169000 0.3686000       5.729000      0.3186000      0.4401000      0.4872000
  1 1 1      25   -4   18 o    2.395000      0.4577000       1.830000 0.7200000       2.959000      0.5653000      -1.130000      0.9154000
  1 1 1      25   -4   19 o    4.155000      0.3477000       4.090000 0.5338000       4.220000      0.4456000     -0.1297000      0.6954000
  1 1 1      25   -4   20 o    3.469000      0.5747000       3.306000 0.6885000       3.633000      0.9205000     -0.3272000       1.149000
  1 1 1      25   -4   21 o    2.027000      0.5226000       1.998000 0.7605000       2.055000      0.7170000     -0.5644000E-01   1.045000
  1 1 1      25   -4   22 o    2.536000      0.4931000       2.090000 0.7807000       2.981000      0.6026000     -0.8908000      0.9862000
  1 1 1      25   -3    0 o    2.438000      0.5643000       2.369000 0.8432000       2.507000      0.7501000     -0.1377000       1.129000
  1 1 1      25   -3    1 o    6.894000      0.2963000       6.692000 0.4640000       7.097000      0.3686000     -0.4054000      0.5926000
  1 1 1      25   -3    2 o    7.286000      0.2731000       7.889000 0.4067000       6.683000      0.3645000       1.206000      0.5462000
  1 1 1      25   -3    3 o    3.006000      0.5262000       3.341000 0.7562000       2.671000      0.7321000      0.6704000       1.052000
  1 1 1      25   -3    4 o    5.769000      0.3116000       6.146000 0.4590000       5.392000      0.4216000      0.7540000      0.6232000
  1 1 1      25   -3    5 o    10.62000      0.2465000       10.28000 0.3723000       10.97000      0.3232000     -0.6954000      0.4930000
  1 1 1      25   -3    6 o    11.78000      0.3443000       11.40000 0.5015000       12.15000      0.4720000     -0.7484000      0.6887000
  1 1 1      25   -3    7 o    6.143000      0.2704000       6.392000 0.4303000       5.894000      0.3277000      0.4983000      0.5409000
  1 1 1      25   -3    8 o    3.227000      0.4891000       2.802000 0.8283000       3.652000      0.5201000     -0.8501000      0.9781000
  1 1 1      25   -3    9 o    5.445000      0.4407000       5.428000 0.7339000       5.463000      0.4882000     -0.3476000E-01  0.8814000
  1 1 1      25   -3   10 o    6.709000      0.3581000       6.465000 0.5740000       6.952000      0.4284000     -0.4871000      0.7162000
  1 1 1      25   -3   11 o    10.10000      0.2302000       10.34000 0.3493000       9.866000      0.2998000      0.4714000      0.4603000
  1 1 1      25   -3   12 o    5.731000      0.2851000       5.392000 0.4653000       6.070000      0.3296000     -0.6787000      0.5702000
  1 1 1      25   -3   13 o    4.548000      0.3186000       4.206000 0.5208000       4.889000      0.3671000     -0.6827000      0.6372000
  1 1 1      25   -3   14 o    6.750000      0.2395000       6.577000 0.3729000       6.923000      0.3008000     -0.3461000      0.4791000
  1 1 1      25   -3   15 o    4.798000      0.2894000       4.866000 0.4404000       4.729000      0.3756000      0.1373000      0.5788000
  1 1 1      25   -3   16 o    3.746000      0.3635000       3.743000 0.5819000       3.749000      0.4356000     -0.6487000E-02  0.7269000
  1 1 1      25   -3   17 o    5.030000      0.2676000       4.976000 0.4245000       5.083000      0.3260000     -0.1068000      0.5352000
  1 1 1      25   -3   18 o    8.197000      0.2124000       7.975000 0.3191000       8.419000      0.2804000     -0.4434000      0.4248000
  1 1 1      25   -3   19 o    2.068000      0.4954000       1.892000 0.7297000       2.245000      0.6702000     -0.3525000      0.9908000
  1 1 1      25   -3   20 o    1.918000      0.7387000       1.918000 0.7387000                  ?              ?              ?              ?
  1 1 1      25   -3   21 o    3.567000      0.4005000       3.666000 0.5765000       3.467000      0.5562000      0.1993000      0.8011000
  1 1 1      25   -3   22 o    2.928000      0.6549000                  ?       ?   2.928000      0.6549000                  ?              ?
  1 1 1      25   -3   23 o    2.136000      0.5304000       2.068000 0.7776000       2.203000      0.7217000     -0.1347000       1.061000
  1 1 1      25   -2    0 o    3.455000      0.5150000       3.425000 0.8015000       3.485000      0.6469000     -0.6087000E-01   1.030000
  1 1 1      25   -2    1 o    1.908000      0.5322000       2.107000 0.7992000       1.709000      0.7031000      0.3984000       1.064000
  1 1 1      25   -2    2 o    8.703000      0.2594000       8.828000 0.3839000       8.578000      0.3490000      0.2499000      0.5188000
  1 1 1      25   -2    3 o    4.613000      0.3749000       5.056000 0.5600000       4.170000      0.4987000      0.8853000      0.7499000
  1 1 1      25   -2    4 o    4.167000      0.4182000       3.650000 0.7060000       4.685000      0.4483000      -1.035000      0.8363000
  1 1 1      25   -2    5 o    8.418000      0.3516000       8.696000 0.5197000       8.141000      0.4738000      0.5550000      0.7032000
  1 1 1      25   -2    6 o    6.309000      0.2884000       6.649000 0.4453000       5.969000      0.3666000      0.6809000      0.5768000
  1 1 1      25   -2    7 o    3.637000      0.4443000       3.279000 0.7535000       3.995000      0.4710000     -0.7156000      0.8886000
  1 1 1      25   -2    8 o    6.222000      0.4004000       5.983000 0.6540000       6.460000      0.4622000     -0.4777000      0.8008000
  1 1 1      25   -2    9 o    10.11000      0.3286000       10.42000 0.5035000       9.798000      0.4224000      0.6210000      0.6572000
  1 1 1      25   -2   10 o    12.05000      0.2372000       11.71000 0.3513000       12.38000      0.3187000     -0.6696000      0.4743000
  1 1 1      25   -2   11 o    9.992000      0.2255000       9.857000 0.3397000       10.13000      0.2967000     -0.2692000      0.4510000
  1 1 1      25   -2   12 o    4.840000      0.3090000       4.756000 0.4956000       4.924000      0.3692000     -0.1689000      0.6180000
  1 1 1      25   -2   13 o    4.491000      0.3146000       4.519000 0.4975000       4.463000      0.3852000      0.5563000E-01  0.6292000
  1 1 1      25   -2   14 o    4.479000      0.3048000       4.379000 0.4890000       4.579000      0.3641000     -0.2001000      0.6096000
  1 1 1      25   -2   15 o    5.612000      0.2563000       5.564000 0.3993000       5.660000      0.3212000     -0.9571000E-01  0.5125000
  1 1 1      25   -2   16 o    2.839000      0.4360000       3.029000 0.6563000       2.649000      0.5743000      0.3805000      0.8721000
  1 1 1      25   -2   17 o    6.385000      0.2329000       6.068000 0.3641000       6.702000      0.2904000     -0.6345000      0.4657000
  1 1 1      25   -2   18 o    5.949000      0.2377000       5.745000 0.3680000       6.153000      0.3008000     -0.4089000      0.4753000
  1 1 1      25   -2   19 o    3.049000      0.4083000       3.342000 0.5789000       2.756000      0.5760000      0.5862000      0.8167000
  1 1 1      25   -2   20 o    1.455000      0.4424000       1.571000 0.6704000       1.338000      0.5773000      0.2334000      0.8847000
  1 1 1      25   -2   21 o    2.256000      0.5002000       2.037000 0.7302000       2.474000      0.6838000     -0.4374000       1.000000
  1 1 1      25   -2   22 f    1.958000      0.5201000       1.601000 0.7334000       2.316000      0.7377000     -0.7154000       1.040000
  1 1 1      25   -2   23 o    1.575000      0.4865000       1.925000 0.7900000       1.226000      0.5682000      0.6990000      0.9731000
  1 1 1      25   -2   24 f    2.637000      0.4995000       2.901000 0.7079000       2.373000      0.7050000      0.5285000      0.9991000
  1 1 1      25   -1    0 o    11.09000      0.2543000       10.55000 0.3831000       11.64000      0.3344000      -1.089000      0.5085000
  1 1 1      25   -1    1 o    6.586000      0.2931000       6.515000 0.4439000       6.657000      0.3828000     -0.1424000      0.5862000
  1 1 1      25   -1    2 o    11.40000      0.2508000       11.65000 0.3751000       11.15000      0.3331000      0.5022000      0.5016000
  1 1 1      25   -1    3 o    6.327000      0.2935000       6.786000 0.4303000       5.868000      0.3994000      0.9174000      0.5871000
  1 1 1      25   -1    4 o    11.31000      0.3443000       11.49000 0.5025000       11.13000      0.4707000      0.3656000      0.6885000
  1 1 1      25   -1    5 o    6.812000      0.2741000       7.268000 0.4066000       6.356000      0.3675000      0.9119000      0.5481000
  1 1 1      25   -1    6 o    4.082000      0.3926000       4.765000 0.5187000       3.400000      0.5895000       1.365000      0.7852000
  1 1 1      25   -1    7 o    3.463000      0.6113000       2.881000 0.9940000       4.044000      0.7119000      -1.163000       1.223000
  1 1 1      25   -1    8 o    2.381000      0.6473000       2.708000 1.013000       2.053000      0.8062000      0.6552000       1.295000
  1 1 1      25   -1    9 o    12.99000      0.2414000       13.08000 0.3561000       12.90000      0.3260000      0.1786000      0.4828000
  1 1 1      25   -1   10 o    9.096000      0.2332000       9.112000 0.3528000       9.079000      0.3051000      0.3288000E-01  0.4665000
  1 1 1      25   -1   11 o    2.752000      0.4974000       2.925000 0.7472000       2.579000      0.6568000      0.3460000      0.9949000
  1 1 1      25   -1   12 o    7.037000      0.2396000       6.718000 0.3774000       7.357000      0.2954000     -0.6391000      0.4792000
  1 1 1      25   -1   13 o    4.637000      0.3075000       4.893000 0.4591000       4.381000      0.4093000      0.5118000      0.6151000
  1 1 1      25   -1   14 o    2.854000      0.4299000       1.943000 0.7395000       3.764000      0.4387000      -1.821000      0.8598000
  1 1 1      25   -1   15 o    3.808000      0.3407000       4.033000 0.5069000       3.583000      0.4555000      0.4504000      0.6815000
  1 1 1      25   -1   16 o    2.343000      0.4676000       2.072000 0.7171000       2.614000      0.6003000     -0.5428000      0.9352000
  1 1 1      25   -1   17 o    4.006000      0.3126000       4.146000 0.4767000       3.866000      0.4044000      0.2800000      0.6251000
  1 1 1      25   -1   18 o    1.694000      0.4647000       1.863000 0.6911000       1.525000      0.6216000      0.3375000      0.9295000
  1 1 1      25   -1   19 o    6.676000      0.2140000       6.456000 0.3288000       6.895000      0.2740000     -0.4393000      0.4280000
  1 1 1      25   -1   20 f    1.923000      0.5012000       1.515000 0.6453000       2.331000      0.7670000     -0.8164000       1.002000
  1 1 1      25   -1   21 o    2.127000      0.5437000       2.869000 0.8804000       1.385000      0.6384000       1.484000       1.087000
  1 1 1      25   -1   22 o    2.644000      0.4556000       2.248000 0.7277000       3.040000      0.5482000     -0.7926000      0.9111000
  1 1 1      25   -1   23 o    1.982000      0.4779000       1.669000 0.6911000       2.294000      0.6602000     -0.6243000      0.9557000
  1 1 1      25   -1   24 o    2.552000      0.7310000       1.919000 0.9019000       3.185000       1.151000      -1.266000       1.462000
  1 1 1      25    0    0 o    5.010000      0.3245000       5.513000 0.4242000       4.507000      0.4912000       1.006000      0.6491000
  1 1 1      25    0    1 o    14.54000      0.3236000       14.80000 0.5393000       14.27000      0.3576000      0.5342000      0.6471000
  1 1 1      25    0    2 o    10.75000      0.2488000       11.01000 0.3699000       10.48000      0.3329000      0.5312000      0.4977000
  1 1 1      25    0    3 o    5.895000      0.4159000       6.371000 0.5858000       5.419000      0.5905000      0.9522000      0.8318000
  1 1 1      25    0    4 o    9.981000      0.2466000       10.41000 0.3670000       9.553000      0.3296000      0.8565000      0.4933000
  1 1 1      25    0    5 o    11.55000      0.2450000       11.36000 0.3655000       11.74000      0.3264000     -0.3766000      0.4901000
  1 1 1      25    0    6 o    2.356000      0.6325000       2.888000 1.001000       1.824000      0.7727000       1.064000       1.265000
  1 1 1      25    0    7 o    3.795000      0.5875000       4.028000 0.9199000       3.563000      0.7309000      0.4658000       1.175000
  1 1 1      25    0    8 o    10.22000      0.2359000       10.08000 0.3483000       10.36000      0.3182000     -0.2795000      0.4717000
  1 1 1      25    0    9 o    10.84000      0.2338000       11.15000 0.3477000       10.52000      0.3127000      0.6297000      0.4676000
  1 1 1      25    0   10 o    6.767000      0.2680000       6.194000 0.4311000       7.340000      0.3185000      -1.146000      0.5360000
  1 1 1      25    0   11 o    4.119000      0.3476000       4.382000 0.5209000       3.857000      0.4604000      0.5248000      0.6952000
  1 1 1      25    0   12 o    11.87000      0.2861000       11.66000 0.4809000       12.07000      0.3100000     -0.4129000      0.5721000
  1 1 1      25    0   13 o    6.620000      0.2464000       6.534000 0.3833000       6.705000      0.3097000     -0.1716000      0.4928000
  1 1 1      25    0   14 o    2.331000      0.4937000       2.362000 0.7507000       2.299000      0.6413000      0.6304000E-01  0.9873000
  1 1 1      25    0   15 f    6.145000      0.2473000       5.606000 0.3954000       6.683000      0.2972000      -1.077000      0.4947000
  1 1 1      25    0   16 o    6.144000      0.2406000       6.292000 0.3701000       5.996000      0.3074000      0.2964000      0.4811000
  1 1 1      25    0   17 o    6.294000      0.2287000       6.200000 0.3590000       6.389000      0.2834000     -0.1893000      0.4574000
  1 1 1      25    0   18 o    10.02000      0.2029000       10.19000 0.3020000       9.856000      0.2710000      0.3323000      0.4058000
  1 1 1      25    0   19 o    8.566000      0.3067000       9.120000 0.4512000       8.012000      0.4156000       1.108000      0.6134000
  1 1 1      25    0   20 o    5.695000      0.3409000       5.603000 0.5199000       5.787000      0.4412000     -0.1840000      0.6819000
  1 1 1      25    0   21 o    5.515000      0.2595000       5.546000 0.3391000       5.484000      0.3928000      0.6177000E-01  0.5189000
  1 1 1      25    0   22 o    2.804000      0.5740000       3.057000 0.7816000       2.552000      0.8410000      0.5049000       1.148000
  1 1 1      25    0   23 o    3.764000      0.5486000       3.403000 0.8248000       4.125000      0.7236000     -0.7219000       1.097000
  1 1 1      25    0   24 o    1.837000      0.4715000       2.260000 0.7207000       1.413000      0.6081000      0.8468000      0.9429000
  1 1 1      25    0   25 o    2.197000      0.4952000       2.310000 0.7291000       2.084000      0.6702000      0.2262000      0.9904000
  1 1 1      25    1    0 o    1.864000      0.5024000       2.041000 0.7251000       1.686000      0.6956000      0.3552000       1.005000
  1 1 1      25    1    1 o    7.619000      0.2445000       7.899000 0.3383000       7.338000      0.3531000      0.5615000      0.4890000
  1 1 1      25    1    2 o    10.69000      0.3428000       10.56000 0.4961000       10.82000      0.4732000     -0.2536000      0.6855000
  1 1 1      25    1    3 o    5.953000      0.4221000       5.231000 0.6745000       6.676000      0.5075000      -1.444000      0.8441000
  1 1 1      25    1    4 o    11.33000      0.2306000       11.32000 0.3287000       11.34000      0.3234000     -0.2423000E-01  0.4611000
  1 1 1      25    1    5 o    10.71000      0.4541000                  ?       ?   10.71000      0.4541000                  ?              ?
  1 1 1      25    1    6 o    8.617000      0.3500000       8.546000 0.5545000       8.687000      0.4272000     -0.1401000      0.7000000
  1 1 1      25    1    7 o    6.056000      0.2836000       6.476000 0.4361000       5.636000      0.3628000      0.8392000      0.5673000
  1 1 1      25    1    8 o    4.103000      0.3694000       4.736000 0.5239000       3.469000      0.5208000       1.268000      0.7387000
  1 1 1      25    1    9 o    2.333000      0.5070000       2.059000 0.7668000       2.607000      0.6633000     -0.5472000       1.014000
  1 1 1      25    1   10 o    11.52000      0.2310000       11.39000 0.3419000       11.66000      0.3107000     -0.2701000      0.4620000
  1 1 1      25    1   11 o    4.738000      0.3206000       4.796000 0.4929000       4.680000      0.4101000      0.1160000      0.6412000
  1 1 1      25    1   12 o    4.849000      0.3109000       4.748000 0.4927000       4.949000      0.3792000     -0.2011000      0.6217000
  1 1 1      25    1   13 f    2.744000      0.4707000       2.719000 0.7163000       2.770000      0.6108000     -0.5061000E-01  0.9413000
  1 1 1      25    1   14 o    9.251000      0.2177000       9.382000 0.3294000       9.121000      0.2848000      0.2607000      0.4355000
  1 1 1      25    1   15 o    7.534000      0.2243000       7.219000 0.3474000       7.850000      0.2838000     -0.6310000      0.4486000
  1 1 1      25    1   16 o    6.594000      0.2380000       6.655000 0.3649000       6.533000      0.3058000      0.1220000      0.4761000
  1 1 1      25    1   17 o    4.437000      0.3025000       4.971000 0.4361000       3.904000      0.4194000       1.067000      0.6050000
  1 1 1      25    1   18 f    7.254000      0.3333000       6.681000 0.5262000       7.827000      0.4092000      -1.146000      0.6666000
  1 1 1      25    1   19 o    4.394000      0.4460000       4.276000 0.7089000       4.512000      0.5414000     -0.2363000      0.8920000
  1 1 1      25    1   20 o    2.302000      0.4404000       1.910000 0.6944000       2.694000      0.5419000     -0.7846000      0.8808000
  1 1 1      25    1   21 o    5.309000      0.4180000       5.309000 0.4180000                  ?              ?              ?              ?
  1 1 1      25    1   22 f    6.016000      0.2451000       5.517000 0.3191000       6.514000      0.3721000     -0.9967000      0.4902000
  1 1 1      25    1   23 o    4.441000      0.3526000                  ?       ?   4.441000      0.3526000                  ?              ?
  1 1 1      25    1   24 o    1.910000      0.4188000       2.723000 0.6565000       1.097000      0.5203000       1.627000      0.8377000
  1 1 1      25    1   25 o    2.413000      0.4587000       2.843000 0.6090000       1.982000      0.6861000      0.8608000      0.9174000
  1 1 1      25    1   26 o    3.323000      0.3311000       3.650000 0.4767000       2.996000      0.4596000      0.6537000      0.6622000
  1 1 1      25    2    0 o    6.733000      0.2708000       6.633000 0.3918000       6.834000      0.3739000     -0.2014000      0.5416000
  1 1 1      25    2    1 o    5.116000      0.4869000       4.863000 0.7689000       5.369000      0.5977000     -0.5056000      0.9739000
  1 1 1      25    2    2 o    4.220000      0.5842000       4.659000 0.7758000       3.782000      0.8735000      0.8769000       1.168000
  1 1 1      25    2    3 o    4.277000      0.3990000       4.811000 0.5706000       3.743000      0.5579000       1.068000      0.7980000
  1 1 1      25    2    4 f    8.513000      0.3168000       8.672000 0.4313000       8.354000      0.4641000      0.3183000      0.6335000
  1 1 1      25    2    5 o    8.067000      0.3094000       7.846000 0.4216000       8.288000      0.4531000     -0.4415000      0.6189000
  1 1 1      25    2    6 o    5.931000      0.2602000       5.483000 0.3790000       6.378000      0.3565000     -0.8950000      0.5204000
  1 1 1      25    2    7 o    3.565000      0.3788000       3.619000 0.5267000       3.511000      0.5446000      0.1083000      0.7576000
  1 1 1      25    2    8 o    8.297000      0.2223000       8.199000 0.3156000       8.395000      0.3132000     -0.1963000      0.4446000
  1 1 1      25    2    9 o    7.744000      0.2386000       8.041000 0.3577000       7.446000      0.3158000      0.5951000      0.4772000
  1 1 1      25    2   10 o    8.578000      0.2291000       8.584000 0.3483000       8.573000      0.2976000      0.1120000E-01  0.4581000
  1 1 1      25    2   11 o    5.070000      0.3071000       4.847000 0.5016000       5.294000      0.3546000     -0.4473000      0.6142000
  1 1 1      25    2   12 o    3.397000      0.4146000       3.579000 0.6213000       3.215000      0.5492000      0.3635000      0.8292000
  1 1 1      25    2   13 o    8.549000      0.2257000       8.418000 0.3407000       8.680000      0.2962000     -0.2620000      0.4514000
  1 1 1      25    2   14 o    14.31000      0.2406000       14.16000 0.3509000       14.45000      0.3292000     -0.2954000      0.4811000
  1 1 1      25    2   15 o    1.343000      0.4284000       1.395000 0.6359000       1.291000      0.5744000      0.1034000      0.8569000
  1 1 1      25    2   16 o    6.423000      0.2398000       6.298000 0.3714000       6.548000      0.3034000     -0.2501000      0.4796000
  1 1 1      25    2   17 o    7.153000      0.3289000       7.173000 0.5026000       7.133000      0.4243000      0.4036000E-01  0.6578000
  1 1 1      25    2   18 o    3.820000      0.5228000       4.210000 0.7431000       3.430000      0.7356000      0.7796000       1.046000
  1 1 1      25    2   19 o    5.772000      0.2295000       6.031000 0.3509000       5.514000      0.2959000      0.5174000      0.4590000
  1 1 1      25    2   20 o    5.919000      0.2596000       5.996000 0.3885000       5.843000      0.3444000      0.1527000      0.5192000
  1 1 1      25    2   21 o    5.357000      0.2222000       5.578000 0.3276000       5.136000      0.3002000      0.4426000      0.4444000
  1 1 1      25    2   22 o    3.554000      0.2893000       4.054000 0.3785000       3.055000      0.4377000      0.9992000      0.5786000
  1 1 1      25    2   23 o    5.133000      0.2462000       4.977000 0.2867000       5.289000      0.4002000     -0.3121000      0.4923000
  1 1 1      25    2   24 o    3.766000      0.2953000       4.008000 0.4120000       3.523000      0.4231000      0.4856000      0.5906000
  1 1 1      25    2   25 o    2.473000      0.4293000       2.435000 0.6080000       2.511000      0.6062000     -0.7627000E-01  0.8586000
  1 1 1      25    2   26 o    1.064000      0.3432000       1.121000 0.5061000       1.007000      0.4637000      0.1146000      0.6864000
  1 1 1      25    3    0 o    7.526000      0.2549000       7.125000 0.3702000       7.928000      0.3504000     -0.8033000      0.5098000
  1 1 1      25    3    1 o    2.397000      0.6285000       2.776000 0.9398000       2.019000      0.8348000      0.7572000       1.257000
  1 1 1      25    3    2 o    1.804000      0.4903000       2.220000 0.7562000       1.387000      0.6243000      0.8323000      0.9806000
  1 1 1      25    3    3 o    8.753000      0.2391000       8.871000 0.3349000       8.634000      0.3412000      0.2366000      0.4781000
  1 1 1      25    3    4 o    1.628000      0.5114000       1.596000 0.7129000       1.659000      0.7335000     -0.6286000E-01   1.023000
  1 1 1      25    3    5 o    9.403000      0.2283000       9.570000 0.3252000       9.237000      0.3206000      0.3337000      0.4567000
  1 1 1      25    3    6 o    9.568000      0.2256000       9.390000 0.3193000       9.745000      0.3188000     -0.3547000      0.4512000
  1 1 1      25    3    7 o    11.55000      0.2250000       11.51000 0.3197000       11.58000      0.3166000     -0.6536000E-01  0.4499000
  1 1 1      25    3    8 o    10.73000      0.2183000       10.60000 0.3069000       10.87000      0.3105000     -0.2627000      0.4365000
  1 1 1      25    3    9 o    5.586000      0.2507000       5.476000 0.3560000       5.696000      0.3532000     -0.2203000      0.5015000
  1 1 1      25    3   10 o    3.124000      0.4096000       3.856000 0.4668000       2.392000      0.6733000       1.464000      0.8193000
  1 1 1      25    3   11 o    9.084000      0.2108000       9.480000 0.2950000       8.688000      0.3011000      0.7916000      0.4216000
  1 1 1      25    3   12 o    6.751000      0.2493000       6.899000 0.3772000       6.603000      0.3260000      0.2957000      0.4986000
  1 1 1      25    3   13 o    5.960000      0.2557000       6.168000 0.3892000       5.751000      0.3317000      0.4170000      0.5114000
  1 1 1      25    3   14 o    4.629000      0.3129000       4.916000 0.4686000       4.341000      0.4148000      0.5746000      0.6258000
  1 1 1      25    3   15 o    6.649000      0.2547000       5.949000 0.4162000       7.350000      0.2936000      -1.401000      0.5093000
  1 1 1      25    3   16 o    11.30000      0.2186000       11.17000 0.3276000       11.44000      0.2895000     -0.2671000      0.4372000
  1 1 1      25    3   17 o    12.21000      0.3165000       11.60000 0.4577000       12.81000      0.4373000      -1.213000      0.6330000
  1 1 1      25    3   18 o    4.384000      0.3024000       3.995000 0.5021000       4.773000      0.3372000     -0.7778000      0.6048000
  1 1 1      25    3   19 o    4.411000      0.3927000       3.749000 0.6799000       5.073000      0.3933000      -1.324000      0.7855000
  1 1 1      25    3   20 f    5.375000      0.2939000       5.509000 0.4655000       5.241000      0.3589000      0.2681000      0.5878000
  1 1 1      25    3   21 o    1.422000      0.4127000       1.372000 0.5936000       1.472000      0.5736000     -0.1003000      0.8255000
  1 1 1      25    3   22 o    4.049000      0.2525000       4.281000 0.3666000       3.817000      0.3472000      0.4644000      0.5049000
  1 1 1      25    3   23 f    1.358000      0.3953000       1.317000 0.5647000       1.400000      0.5534000     -0.8236000E-01  0.7906000
  1 1 1      25    3   24 o    2.422000      0.3903000       2.567000 0.5522000       2.276000      0.5517000      0.2912000      0.7806000
  1 1 1      25    3   25 o    3.453000      0.2758000       3.690000 0.3780000       3.216000      0.4016000      0.4738000      0.5515000
  1 1 1      25    4    0 o    14.41000      0.3724000       13.82000 0.5252000       15.00000      0.5283000      -1.176000      0.7449000
  1 1 1      25    4    1 o    6.789000      0.4039000       6.546000 0.5949000       7.032000      0.5465000     -0.4865000      0.8078000
  1 1 1      25    4    2 o    3.603000      0.4268000       3.500000 0.6338000       3.705000      0.5717000     -0.2051000      0.8535000
  1 1 1      25    4    3 o    2.645000      0.6013000       2.301000 0.8454000       2.989000      0.8554000     -0.6880000       1.203000
  1 1 1      25    4    4 o    7.751000      0.3297000       7.684000 0.4623000       7.817000      0.4701000     -0.1331000      0.6593000
  1 1 1      25    4    5 o    15.84000      0.2618000       16.08000 0.3733000       15.59000      0.3671000      0.4869000      0.5236000
  1 1 1      25    4    6 o    11.51000      0.2329000       11.59000 0.3280000       11.42000      0.3309000      0.1719000      0.4659000
  1 1 1      25    4    7 o    11.71000      0.2263000       11.66000 0.3228000       11.77000      0.3174000     -0.1079000      0.4527000
  1 1 1      25    4    8 o    7.564000      0.2285000       7.631000 0.3213000       7.497000      0.3248000      0.1342000      0.4569000
  1 1 1      25    4    9 o    2.609000      0.4781000       2.352000 0.6954000       2.867000      0.6564000     -0.5153000      0.9563000
  1 1 1      25    4   10 o    2.206000      0.4514000       1.582000 0.6506000       2.831000      0.6259000      -1.249000      0.9028000
  1 1 1      25    4   11 o    10.88000      0.2696000       10.83000 0.3054000       10.93000      0.4445000     -0.9833000E-01  0.5393000
  1 1 1      25    4   12 o    7.119000      0.2190000       7.023000 0.3049000       7.215000      0.3145000     -0.1920000      0.4381000
  1 1 1      25    4   13 o    1.940000      0.4613000       1.569000 0.6142000       2.310000      0.6883000     -0.7409000      0.9225000
  1 1 1      25    4   14 o    6.151000      0.2217000       5.968000 0.3065000       6.334000      0.3205000     -0.3658000      0.4435000
  1 1 1      25    4   15 o    5.069000      0.3011000       4.855000 0.4868000       5.282000      0.3544000     -0.4266000      0.6022000
  1 1 1      25    4   16 f    15.56000      0.3509000       15.70000 0.5069000       15.43000      0.4855000      0.2692000      0.7019000
  1 1 1      25    4   17 o    12.63000      0.2216000       12.27000 0.3205000       12.98000      0.3060000     -0.7090000      0.4431000
  1 1 1      25    4   18 o    6.966000      0.2209000       6.661000 0.3474000       7.271000      0.2729000     -0.6110000      0.4418000
  1 1 1      25    4   19 o    4.772000      0.3525000       4.534000 0.5797000       5.010000      0.4012000     -0.4762000      0.7049000
  1 1 1      25    4   20 o    3.529000      0.3363000       4.064000 0.4544000       2.994000      0.4959000       1.070000      0.6727000
  1 1 1      25    4   21 o    10.87000      0.1935000       10.81000 0.2843000       10.93000      0.2627000     -0.1161000      0.3871000
  1 1 1      25    4   22 f    6.186000      0.1970000       6.317000 0.2753000       6.054000      0.2819000      0.2633000      0.3940000
  1 1 1      25    4   23 o    5.182000      0.1866000       5.220000 0.2831000       5.144000      0.2433000      0.7564000E-01  0.3733000
  1 1 1      25    4   24 o    5.588000      0.2310000                  ?       ?   5.588000      0.2310000                  ?              ?
  1 1 1      25    5    0 o    23.43000      0.4940000       23.10000 0.6954000       23.75000      0.7017000     -0.6551000      0.9880000
  1 1 1      25    5    1 o    4.262000      0.3833000       4.512000 0.5302000       4.013000      0.5537000      0.4986000      0.7666000
  1 1 1      25    5    2 o    11.84000      0.2427000       11.99000 0.3488000       11.69000      0.3375000      0.3007000      0.4854000
  1 1 1      25    5    3 o    14.10000      0.3507000       14.03000 0.4911000       14.18000      0.5008000     -0.1485000      0.7014000
  1 1 1      25    5    4 o    11.03000      0.2346000       11.09000 0.3337000       10.98000      0.3300000      0.1084000      0.4693000
  1 1 1      25    5    5 o    4.671000      0.3281000       4.395000 0.4827000       4.947000      0.4445000     -0.5520000      0.6562000
  1 1 1      25    5    6 o    12.43000      0.2375000       12.50000 0.3366000       12.37000      0.3351000      0.1273000      0.4750000
  1 1 1      25    5    7 o    9.707000      0.2264000       9.767000 0.3224000       9.647000      0.3179000      0.1204000      0.4527000
  1 1 1      25    5    8 o    7.278000      0.2361000       7.635000 0.3232000       6.920000      0.3443000      0.7155000      0.4722000
  1 1 1      25    5    9 o    10.32000      0.2194000       10.31000 0.3093000       10.32000      0.3111000     -0.5829000E-02  0.4387000
  1 1 1      25    5   10 o    8.552000      0.2200000       8.279000 0.3098000       8.825000      0.3123000     -0.5455000      0.4399000
  1 1 1      25    5   11 o    5.371000      0.2633000       5.462000 0.3613000       5.279000      0.3830000      0.1832000      0.5266000
  1 1 1      25    5   12 f    6.535000      0.2265000       6.468000 0.3136000       6.602000      0.3269000     -0.1348000      0.4530000
  1 1 1      25    5   13 o    2.489000      0.4541000       2.189000 0.6587000       2.790000      0.6253000     -0.6006000      0.9082000
  1 1 1      25    5   14 o    6.413000      0.2237000       6.612000 0.2982000       6.213000      0.3335000      0.3988000      0.4474000
  1 1 1      25    5   15 o    2.700000      0.4236000       2.776000 0.5801000       2.625000      0.6175000      0.1508000      0.8473000
  1 1 1      25    5   16 o    7.333000      0.3234000       6.937000 0.5010000       7.729000      0.4092000     -0.7919000      0.6469000
  1 1 1      25    5   17 o    6.289000      0.2052000       5.925000 0.2943000       6.654000      0.2859000     -0.7294000      0.4103000
  1 1 1      25    5   18 o    9.780000      0.2854000       9.588000 0.4331000       9.972000      0.3720000     -0.3834000      0.5709000
  1 1 1      25    5   19 o    3.627000      0.4710000       4.028000 0.7165000       3.227000      0.6115000      0.8005000      0.9420000
  1 1 1      25    5   20 o    5.404000      0.2268000       5.695000 0.3516000       5.114000      0.2866000      0.5808000      0.4536000
  1 1 1      25    5   21 o    7.314000      0.1889000       7.418000 0.2890000       7.211000      0.2433000      0.2069000      0.3777000
  1 1 1      25    5   22 o    8.917000      0.2608000       8.917000 0.2608000                  ?              ?              ?              ?
  1 1 1      25    5   23 o    2.832000      0.2908000       3.392000 0.3844000       2.272000      0.4366000       1.120000      0.5817000
  1 1 1      25    5   24 o    4.103000      0.2355000                  ?       ?   4.103000      0.2355000                  ?              ?
  1 1 1      25    6    0 o    9.616000      0.3560000       8.818000 0.5200000       10.41000      0.4862000      -1.597000      0.7119000
  1 1 1      25    6    1 f    9.842000      0.2429000       10.07000 0.3476000       9.617000      0.3392000      0.4515000      0.4857000
  1 1 1      25    6    2 o    9.667000      0.2407000       9.548000 0.3447000       9.785000      0.3361000     -0.2371000      0.4814000
  1 1 1      25    6    3 o    2.488000      0.5980000       2.043000 0.8203000       2.934000      0.8703000     -0.8912000       1.196000
  1 1 1      25    6    4 o    4.333000      0.3439000       4.540000 0.4571000       4.126000      0.5139000      0.4135000      0.6878000
  1 1 1      25    6    5 o    8.877000      0.2379000       8.987000 0.3411000       8.768000      0.3317000      0.2181000      0.4758000
  1 1 1      25    6    6 o    5.094000      0.2993000       4.512000 0.4472000       5.675000      0.3979000      -1.163000      0.5986000
  1 1 1      25    6    7 o    13.37000      0.2386000       13.34000 0.3363000       13.39000      0.3386000     -0.5373000E-01  0.4773000
  1 1 1      25    6    8 o    10.21000      0.2221000       9.936000 0.3129000       10.48000      0.3152000     -0.5405000      0.4441000
  1 1 1      25    6    9 o    16.26000      0.2591000       16.41000 0.3687000       16.11000      0.3642000      0.2998000      0.5183000
  1 1 1      25    6   10 o    10.72000      0.2198000       10.52000 0.3070000       10.92000      0.3146000     -0.4008000      0.4396000
  1 1 1      25    6   11 o    6.626000      0.2341000       6.465000 0.3299000       6.787000      0.3322000     -0.3217000      0.4682000
  1 1 1      25    6   12 o    5.952000      0.2512000       6.060000 0.3424000       5.843000      0.3677000      0.2165000      0.5024000
  1 1 1      25    6   13 o    10.40000      0.2147000       10.48000 0.3005000       10.32000      0.3069000      0.1640000      0.4295000
  1 1 1      25    6   14 o    7.705000      0.2143000       7.542000 0.2977000       7.867000      0.3084000     -0.3251000      0.4286000
  1 1 1      25    6   15 o    7.452000      0.3263000       6.784000 0.5087000       8.121000      0.4087000      -1.337000      0.6526000
  1 1 1      25    6   16 o    8.271000      0.3047000       8.040000 0.4676000       8.502000      0.3908000     -0.4622000      0.6094000
  1 1 1      25    6   17 o    3.541000      0.3269000       4.137000 0.3788000       2.944000      0.5328000       1.193000      0.6538000
  1 1 1      25    6   18 o    10.32000      0.2611000       10.16000 0.3569000       10.49000      0.3811000     -0.3333000      0.5222000
  1 1 1      25    6   19 o    7.137000      0.1905000       7.289000 0.2704000       6.985000      0.2683000      0.3032000      0.3810000
  1 1 1      25    6   20 o    10.29000      0.2462000       10.13000 0.4167000       10.44000      0.2623000     -0.3135000      0.4924000
  1 1 1      25    6   21 o    6.830000      0.1969000       6.656000 0.3118000       7.005000      0.2405000     -0.3489000      0.3938000
  1 1 1      25    6   22 o    9.264000      0.1781000       9.182000 0.2671000       9.345000      0.2356000     -0.1631000      0.3562000
  1 1 1      25    6   23 o    2.899000      0.2888000       3.262000 0.4081000       2.536000      0.4087000      0.7262000      0.5776000
  1 1 1      25    6   24 o    1.669000      0.3459000       1.701000 0.5133000       1.638000      0.4639000      0.6282000E-01  0.6919000
  1 1 1      25    7    0 o    23.27000      0.4900000       23.35000 0.6981000       23.19000      0.6877000      0.1587000      0.9799000
  1 1 1      25    7    1 o    21.60000      0.3265000       21.75000 0.4654000       21.45000      0.4582000      0.3016000      0.6531000
  1 1 1      25    7    2 o    6.402000      0.3960000       6.214000 0.5766000       6.589000      0.5429000     -0.3747000      0.7920000
  1 1 1      25    7    3 f    10.71000      0.3303000       11.01000 0.4678000       10.41000      0.4663000      0.6021000      0.6605000
  1 1 1      25    7    4 o    5.106000      0.3102000       4.928000 0.4476000       5.283000      0.4296000     -0.3552000      0.6204000
  1 1 1      25    7    5 o    2.163000      0.5239000       2.462000 0.7536000       1.865000      0.7281000      0.5971000       1.048000
  1 1 1      25    7    6 o    5.887000      0.2736000       5.950000 0.3852000       5.825000      0.3887000      0.1249000      0.5472000
  1 1 1      25    7    7 o    13.74000      0.2423000       13.40000 0.3377000       14.08000      0.3475000     -0.6781000      0.4846000
  1 1 1      25    7    8 o    11.45000      0.2277000       11.57000 0.3232000       11.33000      0.3208000      0.2321000      0.4554000
  1 1 1      25    7    9 o    15.33000      0.2519000       14.88000 0.3497000       15.78000      0.3627000     -0.8918000      0.5038000
  1 1 1      25    7   10 o    4.021000      0.3580000       3.317000 0.5596000       4.726000      0.4468000      -1.409000      0.7160000
  1 1 1      25    7   11 o    10.06000      0.2167000       10.15000 0.3020000       9.962000      0.3109000      0.1879000      0.4335000
  1 1 1      25    7   12 o    13.87000      0.2359000       13.83000 0.3328000       13.91000      0.3345000     -0.8224000E-01  0.4718000
  1 1 1      25    7   13 o    9.009000      0.2146000       8.668000 0.3011000       9.349000      0.3057000     -0.6805000      0.4292000
  1 1 1      25    7   14 o    10.32000      0.2692000       10.62000 0.4478000       10.02000      0.2988000      0.5942000      0.5384000
  1 1 1      25    7   15 o    3.606000      0.5216000       3.484000 0.8254000       3.728000      0.6380000     -0.2438000       1.043000
  1 1 1      25    7   16 o    3.538000      0.5144000       3.106000 0.8496000       3.971000      0.5803000     -0.8651000       1.029000
  1 1 1      25    7   17 o    5.449000      0.2351000       5.181000 0.3466000       5.717000      0.3178000     -0.5364000      0.4703000
  1 1 1      25    7   18 o    9.388000      0.2597000       9.376000 0.3583000       9.400000      0.3759000     -0.2434000E-01  0.5193000
  1 1 1      25    7   19 o    7.607000      0.1881000       8.002000 0.2681000       7.212000      0.2641000      0.7896000      0.3763000
  1 1 1      25    7   20 o    14.26000      0.2190000       14.39000 0.3126000       14.14000      0.3069000      0.2452000      0.4380000
  1 1 1      25    7   21 o    4.788000      0.2051000       4.637000 0.3068000       4.939000      0.2724000     -0.3012000      0.4103000
  1 1 1      25    7   22 o    8.396000      0.1634000       8.477000 0.2373000       8.315000      0.2247000      0.1626000      0.3268000
  1 1 1      25    7   23 o    3.746000      0.2234000       4.133000 0.3375000       3.359000      0.2927000      0.7745000      0.4468000
  1 1 1      25    7   24 o    2.088000      0.3225000       2.003000 0.5215000       2.173000      0.3797000     -0.1700000      0.6450000
  1 1 1      25    8    0 o    28.14000      0.5712000       27.97000 0.8065000       28.30000      0.8092000     -0.3269000       1.142000
  1 1 1      25    8    1 o    26.52000      0.3831000       26.37000 0.5396000       26.67000      0.5441000     -0.3071000      0.7663000
  1 1 1      25    8    2 o    7.360000      0.3768000       7.822000 0.5227000       6.898000      0.5428000      0.9240000      0.7536000
  1 1 1      25    8    3 o    15.27000      0.3713000       15.43000 0.5239000       15.10000      0.5262000      0.3308000      0.7425000
  1 1 1      25    8    4 o    5.270000      0.3246000       5.065000 0.4744000       5.475000      0.4431000     -0.4104000      0.6492000
  1 1 1      25    8    5 o    11.21000      0.2398000       11.37000 0.3426000       11.06000      0.3355000      0.3149000      0.4796000
  1 1 1      25    8    6 f    11.19000      0.2352000       11.12000 0.3374000       11.27000      0.3279000     -0.1433000      0.4705000
  1 1 1      25    8    7 o    15.19000      0.2557000       14.92000 0.3590000       15.47000      0.3643000     -0.5490000      0.5114000
  1 1 1      25    8    8 o    15.99000      0.2598000       15.90000 0.3667000       16.08000      0.3682000     -0.1811000      0.5196000
  1 1 1      25    8    9 o    2.331000      0.5181000       2.523000 0.7282000       2.139000      0.7372000      0.3839000       1.036000
  1 1 1      25    8   10 o    6.983000      0.2401000       6.853000 0.3431000       7.114000      0.3361000     -0.2618000      0.4803000
  1 1 1      25    8   11 o    12.96000      0.2332000       13.03000 0.3300000       12.89000      0.3294000      0.1433000      0.4663000
  1 1 1      25    8   12 o    8.265000      0.2236000       8.517000 0.3160000       8.013000      0.3166000      0.5037000      0.4473000
  1 1 1      25    8   13 o    5.717000      0.2628000       5.603000 0.3736000       5.831000      0.3698000     -0.2287000      0.5257000
  1 1 1      25    8   14 o    7.596000      0.2207000       7.393000 0.3139000       7.799000      0.3103000     -0.4058000      0.4414000
  1 1 1      25    8   15 f    4.730000      0.4297000       5.237000 0.6142000       4.223000      0.6009000       1.014000      0.8593000
  1 1 1      25    8   16 o    5.432000      0.3623000       5.446000 0.5530000       5.418000      0.4684000      0.2794000E-01  0.7247000
  1 1 1      25    8   17 o    6.889000      0.2027000       7.146000 0.2869000       6.632000      0.2865000      0.5134000      0.4055000
  1 1 1      25    8   18 o    8.417000      0.2724000       8.058000 0.3695000       8.776000      0.4004000     -0.7180000      0.5449000
  1 1 1      25    8   19 o    7.754000      0.1870000       7.916000 0.2684000       7.592000      0.2604000      0.3242000      0.3739000
  1 1 1      25    8   20 o    5.720000      0.1966000       5.847000 0.2822000       5.592000      0.2739000      0.2545000      0.3933000
  1 1 1      25    8   21 o    6.459000      0.1815000       6.373000 0.2669000       6.545000      0.2462000     -0.1722000      0.3631000
  1 1 1      25    8   22 o    6.732000      0.1627000       6.673000 0.2398000       6.792000      0.2200000     -0.1188000      0.3254000
  1 1 1      25    8   23 o    1.985000      0.3297000       2.502000 0.4286000       1.469000      0.5011000       1.033000      0.6594000
  1 1 1      25    8   24 o    2.273000      0.2832000       2.628000 0.3468000       1.917000      0.4479000      0.7109000      0.5665000
  1 1 1      25    9    0 o    4.325000      0.5863000       5.059000 0.7416000       3.591000      0.9084000       1.468000       1.173000
  1 1 1      25    9    1 o    14.22000      0.2618000       14.25000 0.3720000       14.19000      0.3685000      0.5929000E-01  0.5236000
  1 1 1      25    9    2 o    9.695000      0.3570000       9.431000 0.5078000       9.959000      0.5020000     -0.5279000      0.7140000
  1 1 1      25    9    3 o    6.884000      0.3803000       7.239000 0.5323000       6.528000      0.5433000      0.7112000      0.7606000
  1 1 1      25    9    4 o    16.07000      0.2683000       16.08000 0.3817000       16.07000      0.3771000      0.1179000E-01  0.5365000
  1 1 1      25    9    5 o    13.06000      0.2449000       13.20000 0.3498000       12.93000      0.3428000      0.2661000      0.4898000
  1 1 1      25    9    6 o    2.609000      0.5300000       2.870000 0.7499000       2.348000      0.7492000      0.5217000       1.060000
  1 1 1      25    9    7 o    5.693000      0.3601000       5.955000 0.5933000       5.431000      0.4083000      0.5234000      0.7202000
  1 1 1      25    9    8 o    6.816000      0.2579000       6.583000 0.3728000       7.050000      0.3564000     -0.4665000      0.5158000
  1 1 1      25    9    9 o    11.05000      0.2294000       11.19000 0.3251000       10.90000      0.3238000      0.2886000      0.4588000
  1 1 1      25    9   10 o    3.211000      0.4548000       3.241000 0.6467000       3.181000      0.6397000      0.5980000E-01  0.9096000
  1 1 1      25    9   11 o    22.27000      0.3243000       22.08000 0.4551000       22.46000      0.4621000     -0.3758000      0.6486000
  1 1 1      25    9   12 o    7.599000      0.2288000       7.727000 0.3261000       7.472000      0.3210000      0.2549000      0.4576000
  1 1 1      25    9   13 o    2.532000      0.5062000       2.632000 0.7298000       2.432000      0.7017000      0.1996000       1.012000
  1 1 1      25    9   14 o    12.72000      0.2255000       12.97000 0.3239000       12.47000      0.3137000      0.4989000      0.4509000
  1 1 1      25    9   15 o    4.704000      0.2885000       4.730000 0.4200000       4.678000      0.3956000      0.5141000E-01  0.5770000
  1 1 1      25    9   16 o    9.613000      0.2892000       9.690000 0.4399000       9.537000      0.3755000      0.1523000      0.5783000
  1 1 1      25    9   17 o    2.224000      0.4517000       1.980000 0.6843000       2.468000      0.5898000     -0.4874000      0.9034000
  1 1 1      25    9   18 o    1.243000      0.3986000       1.297000 0.5854000       1.188000      0.5411000      0.1094000      0.7971000
  1 1 1      25    9   19 o    14.26000      0.3215000       14.48000 0.4476000       14.03000      0.4617000      0.4528000      0.6430000
  1 1 1      25    9   20 f    6.338000      0.1934000       6.584000 0.2793000       6.093000      0.2676000      0.4911000      0.3868000
  1 1 1      25    9   21 o    6.009000      0.1880000       5.848000 0.2827000       6.170000      0.2479000     -0.3224000      0.3760000
  1 1 1      25    9   22 o    5.075000      0.1885000       5.156000 0.2778000       4.994000      0.2548000      0.1617000      0.3770000
  1 1 1      25    9   23 o    6.324000      0.2316000       6.324000 0.2316000                  ?              ?              ?              ?
  1 1 1      25    9   24 o    1.583000      0.3443000       2.012000 0.4910000       1.155000      0.4829000      0.8568000      0.6887000
  1 1 1      25    9   25 o    3.139000      0.3341000                  ?       ?   3.139000      0.3341000                  ?              ?
  1 1 1      25   10    0 o    18.35000      0.4193000       18.41000 0.6013000       18.30000      0.5847000      0.1112000      0.8387000
  1 1 1      25   10    1 o    2.091000      0.5456000       1.719000 0.7547000       2.463000      0.7882000     -0.7443000       1.091000
  1 1 1      25   10    2 o    21.43000      0.4600000       21.81000 0.6569000       21.04000      0.6441000      0.7627000      0.9201000
  1 1 1      25   10    3 f    7.478000      0.3727000       7.621000 0.5251000       7.336000      0.5289000      0.2851000      0.7453000
  1 1 1      25   10    4 o    9.240000      0.2435000       9.133000 0.3519000       9.346000      0.3366000     -0.2126000      0.4870000
  1 1 1      25   10    5 o    9.541000      0.2393000       9.523000 0.3397000       9.560000      0.3372000     -0.3728000E-01  0.4786000
  1 1 1      25   10    6 o    9.623000      0.2357000       9.500000 0.3361000       9.747000      0.3304000     -0.2463000      0.4713000
  1 1 1      25   10    7 o    9.114000      0.2337000       9.306000 0.3354000       8.923000      0.3256000      0.3830000      0.4674000
  1 1 1      25   10    8 o    11.08000      0.2301000       11.23000 0.3287000       10.93000      0.3220000      0.3020000      0.4602000
  1 1 1      25   10    9 o    10.71000      0.2284000       10.64000 0.3251000       10.77000      0.3210000     -0.1306000      0.4569000
  1 1 1      25   10   10 o    7.564000      0.2408000       7.747000 0.3419000       7.380000      0.3391000      0.3667000      0.4815000
  1 1 1      25   10   11 o    13.59000      0.2378000       13.37000 0.3356000       13.81000      0.3371000     -0.4426000      0.4757000
  1 1 1      25   10   12 o    10.22000      0.2236000       10.39000 0.3217000       10.06000      0.3106000      0.3315000      0.4472000
  1 1 1      25   10   13 o    10.05000      0.2192000       9.978000 0.3155000       10.13000      0.3044000     -0.1470000      0.4384000
  1 1 1      25   10   14 o    3.863000      0.3554000       3.860000 0.5331000       3.865000      0.4703000     -0.5733000E-02  0.7109000
  1 1 1      25   10   15 o    6.336000      0.2336000       6.313000 0.3426000       6.358000      0.3177000     -0.4490000E-01  0.4672000
  1 1 1      25   10   16 o    7.419000      0.3017000       7.166000 0.4794000       7.672000      0.3665000     -0.5065000      0.6035000
  1 1 1      25   10   17 o    4.156000      0.3513000       4.964000 0.5594000       3.348000      0.4251000       1.616000      0.7026000
  1 1 1      25   10   18 o    6.104000      0.2179000       6.025000 0.3247000       6.183000      0.2907000     -0.1578000      0.4358000
  1 1 1      25   10   19 o    14.17000      0.3228000       13.87000 0.4413000       14.46000      0.4711000     -0.5884000      0.6455000
  1 1 1      25   10   20 f    3.204000      0.2961000       2.876000 0.4855000       3.533000      0.3389000     -0.6577000      0.5922000
  1 1 1      25   10   21 o    2.033000      0.4197000       2.003000 0.6298000       2.063000      0.5549000     -0.5968000E-01  0.8393000
  1 1 1      25   10   22 o    8.854000      0.1736000       8.756000 0.2512000       8.953000      0.2396000     -0.1967000      0.3472000
  1 1 1      25   10   23 o    4.506000      0.3109000       5.006000 0.4371000       4.007000      0.4422000      0.9991000      0.6218000
  1 1 1      25   10   24 o    1.914000      0.3899000       1.862000 0.5578000       1.965000      0.5449000     -0.1025000      0.7798000
  1 1 1      25   10   25 o    3.109000      0.4683000                  ?       ?   3.109000      0.4683000                  ?              ?
  1 1 1      25   10   26 o    1.484000      0.3965000       1.053000 0.4953000       1.915000      0.6194000     -0.8616000      0.7931000
  1 1 1      25   11    0 o    4.788000      0.5547000       5.014000 0.7923000       4.563000      0.7765000      0.4517000       1.109000
  1 1 1      25   11    1 o    15.57000      0.2705000       15.53000 0.3845000       15.62000      0.3805000     -0.8803000E-01  0.5409000
  1 1 1      25   11    2 o    14.22000      0.3722000       14.19000 0.5234000       14.25000      0.5293000     -0.5955000E-01  0.7443000
  1 1 1      25   11    3 o    7.800000      0.3735000       7.679000 0.5280000       7.922000      0.5283000     -0.2436000      0.7469000
  1 1 1      25   11    4 o    3.000000      0.5214000       2.911000 0.7639000       3.090000      0.7097000     -0.1793000       1.043000
  1 1 1      25   11    5 o    15.83000      0.2643000       15.66000 0.3738000       16.00000      0.3739000     -0.3335000      0.5287000
  1 1 1      25   11    6 f    4.667000      0.3441000       4.481000 0.5091000       4.854000      0.4631000     -0.3727000      0.6882000
  1 1 1      25   11    7 o    8.118000      0.2443000       8.004000 0.3498000       8.231000      0.3413000     -0.2261000      0.4887000
  1 1 1      25   11    8 o    6.454000      0.2741000       6.256000 0.4008000       6.652000      0.3739000     -0.3955000      0.5481000
  1 1 1      25   11    9 o    11.27000      0.2308000       11.26000 0.3275000       11.27000      0.3254000     -0.8114000E-02  0.4616000
  1 1 1      25   11   10 o    13.44000      0.2379000       13.56000 0.3391000       13.33000      0.3338000      0.2276000      0.4759000
  1 1 1      25   11   11 o    6.408000      0.2557000       6.749000 0.3581000       6.066000      0.3650000      0.6831000      0.5114000
  1 1 1      25   11   12 o    10.32000      0.2201000       10.51000 0.3164000       10.13000      0.3060000      0.3785000      0.4402000
  1 1 1      25   11   13 o    4.542000      0.3186000       4.921000 0.4363000       4.164000      0.4643000      0.7577000      0.6372000
  1 1 1      25   11   14 o    5.913000      0.2548000       5.952000 0.3722000       5.875000      0.3482000      0.7729000E-01  0.5097000
  1 1 1      25   11   15 o    4.821000      0.2908000       4.876000 0.4297000       4.766000      0.3919000      0.1100000      0.5816000
  1 1 1      25   11   16 o    1.662000      0.4775000       1.696000 0.6959000       1.629000      0.6542000      0.6687000E-01  0.9551000
  1 1 1      25   11   17 o    3.756000      0.4532000       3.564000 0.7651000       3.948000      0.4861000     -0.3840000      0.9065000
  1 1 1      25   11   18 o    10.23000      0.1998000       10.48000 0.2894000       9.978000      0.2757000      0.4996000      0.3997000
  1 1 1      25   11   19 o    3.417000      0.3314000       3.349000 0.5320000       3.485000      0.3953000     -0.1353000      0.6628000
  1 1 1      25   11   20 o    4.217000      0.4393000       4.287000 0.5699000       4.146000      0.6686000      0.1404000      0.8785000
  1 1 1      25   11   21 o    1.833000      0.4267000       1.952000 0.6123000       1.713000      0.5945000      0.2390000      0.8534000
  1 1 1      25   11   22 o    6.448000      0.1735000       6.637000 0.2502000       6.258000      0.2404000      0.3792000      0.3470000
  1 1 1      25   11   23 o    2.817000      0.3261000       3.429000 0.3822000       2.204000      0.5284000       1.225000      0.6522000
  1 1 1      25   11   24 o    4.600000      0.2146000       4.713000 0.2819000       4.487000      0.3236000      0.2261000      0.4292000
  1 1 1      25   11   25 o    2.325000      0.4555000       2.072000 0.6439000       2.577000      0.6445000     -0.5045000      0.9110000
  1 1 1      25   11   26 o    2.039000      0.4728000       1.872000 0.6664000       2.206000      0.6708000     -0.3339000      0.9456000
  1 1 1      25   11   27 o    1.826000      0.4332000       1.662000 0.6119000       1.989000      0.6134000     -0.3269000      0.8664000
  1 1 1      25   11   28 o    2.845000      0.3116000       3.508000 0.3526000       2.182000      0.5139000       1.326000      0.6233000
  1 1 1      25   12    0 o    13.84000      0.3681000       14.58000 0.5379000       13.11000      0.5026000       1.476000      0.7362000
  1 1 1      25   12    1 o    15.27000      0.2697000       14.86000 0.3807000       15.68000      0.3823000     -0.8198000      0.5395000
  1 1 1      25   12    2 o    9.617000      0.2524000       9.579000 0.3675000       9.654000      0.3461000     -0.7466000E-01  0.5049000
  1 1 1      25   12    3 o    10.50000      0.3578000       10.36000 0.4946000       10.65000      0.5172000     -0.2845000      0.7157000
  1 1 1      25   12    4 o    2.912000      0.5319000       2.636000 0.8054000       3.188000      0.6950000     -0.5516000       1.064000
  1 1 1      25   12    5 o    12.88000      0.2456000       12.89000 0.3518000       12.88000      0.3428000      0.5891000E-02  0.4912000
  1 1 1      25   12    6 o    4.769000      0.3442000       5.125000 0.4757000       4.413000      0.4975000      0.7123000      0.6883000
  1 1 1      25   12    7 o    11.87000      0.2408000       12.02000 0.3459000       11.72000      0.3351000      0.3007000      0.4816000
  1 1 1      25   12    8 o    16.36000      0.2662000       16.50000 0.3786000       16.22000      0.3743000      0.2853000      0.5324000
  1 1 1      25   12    9 o    3.220000      0.4680000       3.279000 0.6847000       3.162000      0.6382000      0.1170000      0.9360000
  1 1 1      25   12   10 o    14.59000      0.2483000       14.54000 0.3534000       14.64000      0.3489000     -0.1047000      0.4966000
  1 1 1      25   12   11 o    13.52000      0.2385000       13.40000 0.3392000       13.64000      0.3354000     -0.2450000      0.4770000
  1 1 1      25   12   12 o    9.323000      0.2265000       9.119000 0.3272000       9.528000      0.3133000     -0.4082000      0.4530000
  1 1 1      25   12   13 o    5.994000      0.2702000       5.620000 0.4151000       6.368000      0.3460000     -0.7476000      0.5404000
  1 1 1      25   12   14 o    8.312000      0.2217000       8.333000 0.3237000       8.291000      0.3031000      0.4205000E-01  0.4435000
  1 1 1      25   12   15 o    3.997000      0.3486000       4.305000 0.4946000       3.690000      0.4915000      0.6153000      0.6973000
  1 1 1      25   12   16 o    6.013000      0.2426000       5.953000 0.3653000       6.073000      0.3193000     -0.1201000      0.4852000
  1 1 1      25   12   17 f    2.052000      0.5438000       2.251000 0.8554000       1.852000      0.6719000      0.3996000       1.088000
  1 1 1      25   12   18 f    11.12000      0.2717000       10.77000 0.3985000       11.47000      0.3694000     -0.6982000      0.5433000
  1 1 1      25   12   19 o    6.661000      0.1980000       6.636000 0.2989000       6.685000      0.2598000     -0.4963000E-01  0.3960000
  1 1 1      25   12   20 o    6.986000      0.1920000       6.833000 0.2824000       7.139000      0.2601000     -0.3058000      0.3839000
  1 1 1      25   12   21 o    1.959000      0.5552000       2.195000 0.8000000       1.724000      0.7701000      0.4714000       1.110000
  1 1 1      25   12   22 o    2.402000      0.5839000       1.960000 0.7674000       2.845000      0.8802000     -0.8854000       1.168000
  1 1 1      25   12   23 o    2.039000      0.4184000       2.402000 0.5706000       1.676000      0.6122000      0.7253000      0.8369000
  1 1 1      25   12   24 o    4.129000      0.3564000       4.652000 0.5141000       3.605000      0.4939000       1.048000      0.7129000
  1 1 1      25   12   25 o    2.692000      0.4774000       2.718000 0.6266000       2.667000      0.7205000      0.5149000E-01  0.9549000
  1 1 1      25   12   26 o    1.221000      0.4053000       1.212000 0.5678000       1.229000      0.5786000     -0.1705000E-01  0.8106000
  1 1 1      25   12   27 o    2.337000      0.4149000       3.009000 0.5349000       1.665000      0.6343000       1.344000      0.8297000
  1 1 1      25   12   28 o    1.419000      0.4050000       1.264000 0.5457000       1.575000      0.5986000     -0.3108000      0.8100000
  1 1 1      25   13    0 o    12.08000      0.3568000       12.02000 0.5171000       12.14000      0.4918000     -0.1252000      0.7136000
  1 1 1      25   13    1 o    11.17000      0.3092000       11.38000 0.5140000       10.97000      0.3440000      0.4130000      0.6185000
  1 1 1      25   13    2 o    5.999000      0.3210000       6.275000 0.4733000       5.723000      0.4337000      0.5516000      0.6420000
  1 1 1      25   13    3 o    12.36000      0.3623000       12.09000 0.5093000       12.62000      0.5154000     -0.5258000      0.7246000
  1 1 1      25   13    4 o    8.748000      0.3727000       8.513000 0.5340000       8.984000      0.5202000     -0.4712000      0.7454000
  1 1 1      25   13    5 o    6.818000      0.2785000       7.148000 0.3939000       6.488000      0.3937000      0.6596000      0.5570000
  1 1 1      25   13    6 o    15.12000      0.2590000       14.80000 0.3657000       15.43000      0.3669000     -0.6324000      0.5180000
  1 1 1      25   13    7 o    13.19000      0.2463000       13.57000 0.3536000       12.81000      0.3431000      0.7571000      0.4927000
  1 1 1      25   13    8 o    16.82000      0.2708000       16.64000 0.3813000       17.00000      0.3846000     -0.3592000      0.5416000
  1 1 1      25   13    9 o    17.56000      0.2762000       17.54000 0.3920000       17.58000      0.3891000     -0.3694000E-01  0.5524000
  1 1 1      25   13   10 o    18.95000      0.2898000       19.02000 0.4124000       18.88000      0.4073000      0.1336000      0.5796000
  1 1 1      25   13   11 f    17.01000      0.2690000       17.42000 0.3866000       16.59000      0.3742000      0.8303000      0.5381000
  1 1 1      25   13   12 o    17.36000      0.2710000       17.44000 0.3848000       17.29000      0.3816000      0.1440000      0.5419000
  1 1 1      25   13   13 o    10.77000      0.2248000       10.67000 0.3237000       10.87000      0.3121000     -0.2036000      0.4497000
  1 1 1      25   13   14 o    11.40000      0.2226000       11.39000 0.3175000       11.41000      0.3122000     -0.2178000E-01  0.4452000
  1 1 1      25   13   15 o    4.750000      0.2998000       4.539000 0.4654000       4.962000      0.3780000     -0.4230000      0.5996000
  1 1 1      25   13   16 o    6.576000      0.2305000       6.920000 0.3381000       6.231000      0.3133000      0.6897000      0.4609000
  1 1 1      25   13   17 f    1.970000      0.4794000       2.076000 0.7173000       1.864000      0.6363000      0.2123000      0.9588000
  1 1 1      25   13   18 o    8.066000      0.2167000       8.042000 0.2959000       8.091000      0.3167000     -0.4861000E-01  0.4334000
  1 1 1      25   13   19 o    10.71000      0.2549000       10.66000 0.3773000       10.75000      0.3430000     -0.8989000E-01  0.5099000
  1 1 1      25   13   20 o    6.918000      0.2332000       7.051000 0.3546000       6.784000      0.3029000      0.2664000      0.4664000
  1 1 1      25   13   21 o    4.464000      0.2147000       4.674000 0.3124000       4.254000      0.2947000      0.4196000      0.4294000
  1 1 1      25   13   22 o    2.407000      0.3934000       2.407000 0.5846000       2.407000      0.5266000      0.1762000E-03  0.7868000
  1 1 1      25   13   23 o    3.065000      0.5422000       3.653000 0.6327000       2.477000      0.8807000       1.176000       1.084000
  1 1 1      25   13   24 o    5.067000      0.4757000       5.067000 0.4757000                  ?              ?              ?              ?
  1 1 1      25   13   25 o    3.092000      0.4554000       3.179000 0.5846000       3.004000      0.6985000      0.1755000      0.9108000
  1 1 1      25   13   26 o    2.232000      0.5414000       2.213000 0.7431000       2.251000      0.7875000     -0.3817000E-01   1.083000
  1 1 1      25   13   27 o    2.123000      0.4968000       2.097000 0.7057000       2.150000      0.6995000     -0.5248000E-01  0.9936000
  1 1 1      25   13   28 o    1.378000      0.4314000       1.418000 0.6039000       1.337000      0.6161000      0.8128000E-01  0.8627000
  1 1 1      25   14    0 o    28.72000      0.5800000       28.57000 0.8222000       28.87000      0.8183000     -0.2995000       1.160000
  1 1 1      25   14    1 o    13.29000      0.3619000       12.89000 0.5215000       13.69000      0.5018000     -0.8019000      0.7237000
  1 1 1      25   14    2 o    5.273000      0.3509000       5.321000 0.5215000       5.225000      0.4695000      0.9640000E-01  0.7017000
  1 1 1      25   14    3 o    7.412000      0.2740000       7.328000 0.4016000       7.496000      0.3727000     -0.1677000      0.5479000
  1 1 1      25   14    4 o    11.41000      0.3553000       11.37000 0.4986000       11.45000      0.5064000     -0.8291000E-01  0.7107000
  1 1 1      25   14    5 o    2.417000      0.6808000       2.276000 0.9252000       2.558000      0.9990000     -0.2820000       1.362000
  1 1 1      25   14    6 o    11.47000      0.2432000       11.75000 0.3501000       11.19000      0.3376000      0.5643000      0.4864000
  1 1 1      25   14    7 o    3.368000      0.4824000       3.893000 0.6347000       2.843000      0.7267000       1.049000      0.9649000
  1 1 1      25   14    8 o    8.449000      0.2448000       8.421000 0.3538000       8.478000      0.3385000     -0.5785000E-01  0.4897000
  1 1 1      25   14    9 o    16.20000      0.2637000       16.37000 0.3765000       16.02000      0.3694000      0.3494000      0.5275000
  1 1 1      25   14   10 o    7.341000      0.2519000       7.699000 0.3592000       6.982000      0.3532000      0.7169000      0.5038000
  1 1 1      25   14   11 o    11.69000      0.2288000       12.10000 0.3297000       11.29000      0.3173000      0.8059000      0.4576000
  1 1 1      25   14   12 o    11.26000      0.2253000       11.60000 0.3227000       10.92000      0.3144000      0.6746000      0.4505000
  1 1 1      25   14   13 o    5.625000      0.2714000       5.862000 0.3879000       5.389000      0.3797000      0.4729000      0.5428000
  1 1 1      25   14   14 o    7.860000      0.2298000       8.037000 0.3304000       7.683000      0.3194000      0.3540000      0.4596000
  1 1 1      25   14   15 o    3.755000      0.3783000       3.298000 0.6377000       4.212000      0.4072000     -0.9136000      0.7566000
  1 1 1      25   14   16 o    1.817000      0.4859000       1.922000 0.7244000       1.712000      0.6479000      0.2095000      0.9718000
  1 1 1      25   14   17 o    7.250000      0.2144000       7.605000 0.3176000       6.894000      0.2882000      0.7103000      0.4289000
  1 1 1      25   14   18 o    10.81000      0.2064000       11.02000 0.2938000       10.60000      0.2899000      0.4147000      0.4128000
  1 1 1      25   14   19 o    1.812000      0.4485000       2.152000 0.6802000       1.472000      0.5847000      0.6801000      0.8970000
  1 1 1      25   14   20 o    3.185000      0.3537000       3.002000 0.5802000       3.367000      0.4046000     -0.3647000      0.7074000
  1 1 1      25   14   21 o    4.424000      0.2773000       4.394000 0.4315000       4.454000      0.3483000     -0.6045000E-01  0.5545000
  1 1 1      25   14   22 o    5.277000      0.2405000       5.406000 0.3723000       5.149000      0.3044000      0.2565000      0.4809000
  1 1 1      25   14   23 o    1.683000      0.4599000       1.434000 0.6029000       1.932000      0.6946000     -0.4978000      0.9198000
  1 1 1      25   14   24 o    1.092000      0.5243000       1.092000 0.5243000                  ?              ?              ?              ?
  1 1 1      25   14   25 o    2.903000      0.5548000       2.664000 0.7613000       3.141000      0.8073000     -0.4767000       1.110000
  1 1 1      25   14   26 o    2.760000      0.7949000                  ?       ?   2.760000      0.7949000                  ?              ?
  1 1 1      25   14   27 o    1.774000      0.4968000       1.584000 0.6918000       1.964000      0.7131000     -0.3797000      0.9935000
  1 1 1      25   14   28 o    2.631000      0.5294000       2.282000 0.7038000       2.980000      0.7911000     -0.6981000       1.059000
  1 1 1      25   15    0 o    15.57000      0.2766000       15.83000 0.3979000       15.31000      0.3843000      0.5278000      0.5531000
  1 1 1      25   15    1 o    10.82000      0.3568000       10.41000 0.5322000       11.22000      0.4755000     -0.8163000      0.7137000
  1 1 1      25   15    2 o    6.342000      0.4306000       6.557000 0.6638000       6.127000      0.5487000      0.4297000      0.8612000
  1 1 1      25   15    3 o    8.300000      0.2685000       8.857000 0.3789000       7.743000      0.3804000       1.114000      0.5369000
  1 1 1      25   15    4 o    18.26000      0.2924000       18.35000 0.4171000       18.17000      0.4099000      0.1827000      0.5848000
  1 1 1      25   15    5 o    5.587000      0.4883000       5.996000 0.6254000       5.178000      0.7502000      0.8178000      0.9767000
  1 1 1      25   15    6 o    8.928000      0.2482000       8.819000 0.3643000       9.037000      0.3372000     -0.2176000      0.4964000
  1 1 1      25   15    7 o    13.28000      0.2495000       13.29000 0.3560000       13.27000      0.3496000      0.1684000E-01  0.4990000
  1 1 1      25   15    8 o    2.562000      0.5405000       2.581000 0.7922000       2.544000      0.7355000      0.3702000E-01   1.081000
  1 1 1      25   15    9 o    9.001000      0.2361000       9.259000 0.3413000       8.743000      0.3263000      0.5160000      0.4722000
  1 1 1      25   15   10 o    3.805000      0.4142000       3.668000 0.6249000       3.943000      0.5439000     -0.2754000      0.8285000
  1 1 1      25   15   11 o    2.129000      0.5090000       1.804000 0.7229000       2.455000      0.7168000     -0.6506000       1.018000
  1 1 1      25   15   12 o    5.806000      0.2847000       5.488000 0.4384000       6.124000      0.3635000     -0.6360000      0.5695000
  1 1 1      25   15   13 o    3.659000      0.3941000       3.640000 0.5976000       3.679000      0.5139000     -0.3847000E-01  0.7882000
  1 1 1      25   15   14 o    10.81000      0.2188000       10.99000 0.3178000       10.62000      0.3008000      0.3752000      0.4376000
  1 1 1      25   15   15 o    6.728000      0.2385000       6.428000 0.3639000       7.028000      0.3084000     -0.6000000      0.4771000
  1 1 1      25   15   16 o    8.293000      0.2165000       8.139000 0.3200000       8.448000      0.2916000     -0.3096000      0.4329000
  1 1 1      25   15   17 o    9.775000      0.2100000       9.959000 0.3047000       9.591000      0.2892000      0.3687000      0.4201000
  1 1 1      25   15   18 f    5.554000      0.2446000       5.515000 0.3763000       5.594000      0.3127000     -0.7963000E-01  0.4893000
  1 1 1      25   15   19 o    9.999000      0.1951000       9.598000 0.2755000       10.40000      0.2765000     -0.8016000      0.3903000
  1 1 1      25   15   20 o    4.430000      0.2419000       4.898000 0.3452000       3.962000      0.3390000      0.9359000      0.4838000
  1 1 1      25   15   21 o    8.800000      0.1886000       8.995000 0.2667000       8.605000      0.2666000      0.3896000      0.3771000
  1 1 1      25   15   22 o    7.544000      0.2332000       7.605000 0.3330000       7.484000      0.3266000      0.1210000      0.4664000
  1 1 1      25   15   23 o    1.493000      0.4828000       1.576000 0.7026000       1.411000      0.6624000      0.1657000      0.9656000
  1 1 1      25   15   24 o    2.465000      0.9411000       2.465000 0.9411000                  ?              ?              ?              ?
  1 1 1      25   15   25 o    3.230000      0.4777000       3.889000 0.5075000       2.570000      0.8094000       1.319000      0.9553000
  1 1 1      25   15   26 o    2.125000      0.8133000                  ?       ?   2.125000      0.8133000                  ?              ?
  1 1 1      25   15   27 o    3.401000      0.4585000       4.082000 0.5113000       2.719000      0.7613000       1.363000      0.9171000
  1 1 1      25   15   28 o    1.330000      0.4272000       1.251000 0.5798000       1.409000      0.6277000     -0.1573000      0.8545000
  1 1 1      25   16    0 o    13.15000      0.2642000       12.92000 0.3802000       13.39000      0.3670000     -0.4674000      0.5285000
  1 1 1      25   16    1 o    15.87000      0.2761000       16.12000 0.3975000       15.62000      0.3833000      0.4947000      0.5522000
  1 1 1      25   16    2 o    6.277000      0.4144000       6.763000 0.6135000       5.791000      0.5573000      0.9721000      0.8288000
  1 1 1      25   16    3 o    5.484000      0.4813000       6.045000 0.7161000       4.923000      0.6432000       1.122000      0.9625000
  1 1 1      25   16    4 o    10.61000      0.2495000       10.40000 0.3649000       10.82000      0.3404000     -0.4174000      0.4991000
  1 1 1      25   16    5 o    3.189000      0.4815000       2.705000 0.7780000       3.674000      0.5674000     -0.9691000      0.9629000
  1 1 1      25   16    6 o    2.840000      0.6893000       2.580000 0.9536000       3.100000      0.9956000     -0.5208000       1.379000
  1 1 1      25   16    7 o    6.705000      0.2827000       6.583000 0.4201000       6.827000      0.3783000     -0.2439000      0.5653000
  1 1 1      25   16    8 o    5.304000      0.3222000       5.085000 0.4839000       5.523000      0.4255000     -0.4381000      0.6444000
  1 1 1      25   16    9 o    12.78000      0.2452000       12.84000 0.3474000       12.73000      0.3460000      0.1054000      0.4903000
  1 1 1      25   16   10 o    4.802000      0.3448000       4.452000 0.5300000       5.153000      0.4414000     -0.7015000      0.6897000
  1 1 1      25   16   11 o    8.892000      0.2321000       8.832000 0.3385000       8.951000      0.3176000     -0.1184000      0.4642000
  1 1 1      25   16   12 o    7.977000      0.2368000       8.075000 0.3488000       7.878000      0.3202000      0.1976000      0.4735000
  1 1 1      25   16   13 o    1.799000      0.4864000       1.521000 0.6759000       2.078000      0.6996000     -0.5570000      0.9727000
  1 1 1      25   16   14 o    8.712000      0.2220000       8.794000 0.3297000       8.631000      0.2974000      0.1631000      0.4440000
  1 1 1      25   16   15 o    9.206000      0.2171000       8.997000 0.3184000       9.416000      0.2951000     -0.4190000      0.4341000
  1 1 1      25   16   16 o    5.321000      0.2705000       4.916000 0.4325000       5.726000      0.3248000     -0.8099000      0.5409000
  1 1 1      25   16   17 o    8.457000      0.2100000       8.666000 0.3055000       8.249000      0.2882000      0.4173000      0.4200000
  1 1 1      25   16   18 o    1.911000      0.4497000       2.354000 0.6745000       1.468000      0.5950000      0.8861000      0.8994000
  1 1 1      25   16   19 o    5.108000      0.2374000       5.303000 0.3498000       4.914000      0.3211000      0.3892000      0.4748000
  1 1 1      25   16   20 o    8.471000      0.1950000       8.532000 0.2778000       8.410000      0.2736000      0.1219000      0.3899000
  1 1 1      25   16   21 o    6.973000      0.2050000       6.964000 0.2880000       6.983000      0.2917000     -0.1886000E-01  0.4099000
  1 1 1      25   16   22 o    5.203000      0.2466000       5.379000 0.3323000       5.027000      0.3644000      0.3513000      0.4932000
  1 1 1      25   16   23 o    1.800000      0.4899000       1.965000 0.6930000       1.636000      0.6927000      0.3288000      0.9799000
  1 1 1      25   16   24 o    2.208000      0.5148000       2.599000 0.6968000       1.817000      0.7581000      0.7821000       1.030000
  1 1 1      25   16   25 o    2.327000      0.5195000       2.849000 0.7001000       1.805000      0.7676000       1.044000       1.039000
  1 1 1      25   16   26 o    2.743000      0.8113000       2.941000 1.171000       2.545000       1.123000      0.3964000       1.623000
  1 1 1      25   16   27 o    3.237000      0.7924000       3.968000 1.159000       2.505000       1.081000       1.463000       1.585000
  1 1 1      25   17    0 o    19.18000      0.3075000       19.47000 0.4417000       18.89000      0.4279000      0.5828000      0.6150000
  1 1 1      25   17    1 o    5.454000      0.3648000       5.088000 0.5621000       5.820000      0.4652000     -0.7320000      0.7296000
  1 1 1      25   17    2 o    2.449000      0.5651000       2.030000 0.8169000       2.868000      0.7812000     -0.8375000       1.130000
  1 1 1      25   17    3 o    4.066000      0.5846000       4.148000 0.9222000       3.984000      0.7187000      0.1644000       1.169000
  1 1 1      25   17    4 o    3.356000      0.6231000       2.843000 1.007000       3.869000      0.7335000      -1.026000       1.246000
  1 1 1      25   17    5 o    6.681000      0.2855000       6.759000 0.4151000       6.602000      0.3921000      0.1576000      0.5710000
  1 1 1      25   17    6 o    4.163000      0.4300000       4.945000 0.5179000       3.380000      0.6865000       1.566000      0.8600000
  1 1 1      25   17    7 o    10.97000      0.3660000       11.56000 0.4994000       10.38000      0.5351000       1.182000      0.7320000
  1 1 1      25   17    8 o    3.167000      0.6821000       2.498000 0.9372000       3.836000      0.9914000      -1.338000       1.364000
  1 1 1      25   17    9 o    9.750000      0.2418000       9.386000 0.3508000       10.11000      0.3328000     -0.7292000      0.4835000
  1 1 1      25   17   10 o    7.971000      0.2463000       7.956000 0.3564000       7.985000      0.3402000     -0.2855000E-01  0.4927000
  1 1 1      25   17   11 o    8.636000      0.2288000       8.840000 0.3344000       8.432000      0.3124000      0.4083000      0.4576000
  1 1 1      25   17   12 o    8.499000      0.2275000       8.528000 0.3333000       8.470000      0.3098000      0.5713000E-01  0.4551000
  1 1 1      25   17   13 o    8.749000      0.2260000       8.425000 0.3320000       9.072000      0.3067000     -0.6467000      0.4520000
  1 1 1      25   17   14 o    3.254000      0.4343000       3.676000 0.5926000       2.833000      0.6350000      0.8431000      0.8686000
  1 1 1      25   17   15 o    7.539000      0.2260000       7.371000 0.3328000       7.708000      0.3060000     -0.3363000      0.4521000
  1 1 1      25   17   16 o    4.856000      0.2854000       4.825000 0.4332000       4.887000      0.3718000     -0.6218000E-01  0.5708000
  1 1 1      25   17   17 o    6.411000      0.2240000       6.177000 0.3389000       6.645000      0.2929000     -0.4682000      0.4480000
  1 1 1      25   17   18 o    5.477000      0.2346000       5.417000 0.3573000       5.537000      0.3041000     -0.1203000      0.4692000
  1 1 1      25   17   19 o    2.178000      0.4647000       1.967000 0.6841000       2.388000      0.6291000     -0.4205000      0.9294000
  1 1 1      25   17   20 o    4.198000      0.2907000       4.427000 0.4154000       3.969000      0.4069000      0.4576000      0.5815000
  1 1 1      25   17   21 o    2.043000      0.4362000       1.383000 0.6017000       2.703000      0.6317000      -1.320000      0.8724000
  1 1 1      25   17   22 o    4.596000      0.3133000       4.846000 0.3926000       4.346000      0.4883000      0.4994000      0.6266000
  1 1 1      25   17   23 o    2.473000      0.5194000       2.278000 0.7025000       2.668000      0.7652000     -0.3900000       1.039000
  1 1 1      25   17   24 o    1.618000      0.4926000       1.743000 0.7084000       1.493000      0.6847000      0.2503000      0.9852000
  1 1 1      25   17   25 o    2.474000      0.4549000       3.491000 0.5973000       1.456000      0.6862000       2.035000      0.9098000
  1 1 1      25   17   26 o    2.090000      0.5608000       1.818000 0.7428000       2.362000      0.8404000     -0.5441000       1.122000
  1 1 1      25   17   27 o    3.430000      0.4921000       3.760000 0.6113000       3.099000      0.7714000      0.6608000      0.9842000
  1 1 1      25   18    0 o    11.02000      0.2632000       11.02000 0.3781000       11.02000      0.3664000      0.4507000E-02  0.5265000
  1 1 1      25   18    1 f    8.467000      0.2770000       8.375000 0.4120000       8.558000      0.3703000     -0.1829000      0.5539000
  1 1 1      25   18    2 o    6.465000      0.3182000       6.302000 0.4681000       6.628000      0.4311000     -0.3253000      0.6363000
  1 1 1      25   18    3 o    6.411000      0.3084000       6.149000 0.4649000       6.674000      0.4055000     -0.5251000      0.6168000
  1 1 1      25   18    4 o    4.489000      0.5204000       4.509000 0.8408000       4.469000      0.6136000      0.3954000E-01   1.041000
  1 1 1      25   18    5 o    11.24000      0.3394000       10.95000 0.5079000       11.53000      0.4502000     -0.5809000      0.6787000
  1 1 1      25   18    6 o    9.894000      0.2480000       10.06000 0.3622000       9.730000      0.3388000      0.3288000      0.4960000
  1 1 1      25   18    7 o    5.985000      0.3055000       6.394000 0.4364000       5.576000      0.4277000      0.8181000      0.6111000
  1 1 1      25   18    8 o    5.929000      0.4656000       5.955000 0.6208000       5.903000      0.6940000      0.5194000E-01  0.9311000
  1 1 1      25   18    9 o    10.58000      0.3719000       10.59000 0.4983000       10.56000      0.5522000      0.3576000E-01  0.7438000
  1 1 1      25   18   10 o    6.528000      0.2678000       6.347000 0.4059000       6.710000      0.3494000     -0.3631000      0.5355000
  1 1 1      25   18   11 o    4.373000      0.3566000       4.656000 0.5095000       4.091000      0.4990000      0.5654000      0.7132000
  1 1 1      25   18   12 o    10.87000      0.2255000       11.36000 0.3285000       10.37000      0.3089000      0.9872000      0.4510000
  1 1 1      25   18   13 o    5.004000      0.2968000       5.481000 0.4219000       4.527000      0.4177000      0.9540000      0.5937000
  1 1 1      25   18   14 o    7.983000      0.2233000       8.106000 0.3230000       7.860000      0.3083000      0.2464000      0.4465000
  1 1 1      25   18   15 o    7.679000      0.2227000       7.841000 0.3240000       7.517000      0.3058000      0.3236000      0.4455000
  1 1 1      25   18   16 o    1.355000      0.4110000       1.136000 0.5477000       1.574000      0.6129000     -0.4379000      0.8220000
  1 1 1      25   18   17 o    2.353000      0.4253000       3.164000 0.5903000       1.542000      0.6125000       1.621000      0.8506000
  1 1 1      25   18   18 o    4.845000      0.2696000       4.495000 0.4136000       5.194000      0.3458000     -0.6994000      0.5391000
  1 1 1      25   18   19 o    4.230000      0.3002000       3.963000 0.4556000       4.497000      0.3911000     -0.5333000      0.6004000
  1 1 1      25   18   20 o    1.642000      0.4664000       1.776000 0.6790000       1.508000      0.6398000      0.2685000      0.9329000
  1 1 1      25   18   21 o    1.900000      0.4877000       1.868000 0.6907000       1.933000      0.6889000     -0.6462000E-01  0.9755000
  1 1 1      25   18   22 o    4.048000      0.4361000       5.052000 0.4310000       3.044000      0.7584000       2.009000      0.8722000
  1 1 1      25   18   23 o    2.787000      0.5433000       3.012000 0.6808000       2.561000      0.8468000      0.4510000       1.087000
  1 1 1      25   18   24 o    3.063000      0.5417000       2.587000 0.7216000       3.539000      0.8081000     -0.9524000       1.083000
  1 1 1      25   18   25 o    2.986000      0.7458000       2.914000 0.7525000       3.059000       1.288000     -0.1449000       1.492000
  1 1 1      25   18   26 o    2.921000      0.5791000       2.495000 0.7891000       3.347000      0.8479000     -0.8519000       1.158000
  1 1 1      25   18   27 o    2.944000      0.5319000       2.233000 0.7943000       3.655000      0.7076000      -1.422000       1.064000
  1 1 1      25   19    0 o    7.257000      0.3119000       7.806000 0.4346000       6.708000      0.4474000       1.098000      0.6238000
  1 1 1      25   19    1 o    9.709000      0.2667000       9.516000 0.3906000       9.902000      0.3632000     -0.3862000      0.5334000
  1 1 1      25   19    2 o    5.174000      0.3803000       5.201000 0.5702000       5.146000      0.5034000      0.5459000E-01  0.7606000
  1 1 1      25   19    3 f    4.949000      0.3944000       5.708000 0.4893000       4.191000      0.6188000       1.517000      0.7889000
  1 1 1      25   19    4 o    2.856000      0.5609000       3.425000 0.8015000       2.287000      0.7849000       1.138000       1.122000
  1 1 1      25   19    5 o    8.441000      0.3645000       7.747000 0.5826000       9.136000      0.4383000      -1.388000      0.7290000
  1 1 1      25   19    6 o    2.044000      0.5971000       1.934000 0.8707000       2.154000      0.8174000     -0.2195000       1.194000
  1 1 1      25   19    7 o    10.92000      0.2441000       10.63000 0.3527000       11.20000      0.3375000     -0.5705000      0.4882000
  1 1 1      25   19    8 o    10.33000      0.2401000       10.75000 0.3514000       9.906000      0.3274000      0.8403000      0.4802000
  1 1 1      25   19    9 o    3.908000      0.4124000       4.130000 0.5940000       3.686000      0.5721000      0.4448000      0.8247000
  1 1 1      25   19   10 o    6.713000      0.4492000       6.874000 0.5653000       6.552000      0.6982000      0.3216000      0.8984000
  1 1 1      25   19   11 o    6.695000      0.4286000       6.386000 0.5692000       7.004000      0.6410000     -0.6171000      0.8572000
  1 1 1      25   19   12 f    2.852000      0.4689000       2.030000 0.7693000       3.674000      0.5363000      -1.644000      0.9378000
  1 1 1      25   19   13 o    3.235000      0.4447000       3.496000 0.6342000       2.973000      0.6235000      0.5233000      0.8894000
  1 1 1      25   19   14 o    7.172000      0.2370000       7.162000 0.3505000       7.182000      0.3190000     -0.1964000E-01  0.4739000
  1 1 1      25   19   15 o    11.11000      0.2199000       10.97000 0.3121000       11.24000      0.3098000     -0.2763000      0.4398000
  1 1 1      25   19   16 o    2.524000      0.4666000       2.710000 0.6892000       2.338000      0.6293000      0.3723000      0.9332000
  1 1 1      25   19   17 o    2.067000      0.4533000       2.731000 0.6783000       1.404000      0.6016000       1.327000      0.9066000
  1 1 1      25   19   18 o    2.611000      0.4699000       2.678000 0.6741000       2.544000      0.6549000      0.1339000      0.9399000
  1 1 1      25   19   19 o    7.416000      0.2200000       7.217000 0.3031000       7.615000      0.3190000     -0.3979000      0.4400000
  1 1 1      25   19   20 o    4.974000      0.2925000       4.935000 0.4018000       5.014000      0.4252000     -0.7889000E-01  0.5850000
  1 1 1      25   19   21 o    2.484000      0.5277000       2.752000 0.7079000       2.216000      0.7828000      0.5352000       1.055000
  1 1 1      25   19   22 o    1.503000      0.4791000       1.283000 0.6064000       1.722000      0.7419000     -0.4397000      0.9582000
  1 1 1      25   19   23 o    1.735000      0.5324000       1.829000 0.7598000       1.640000      0.7460000      0.1887000       1.065000
  1 1 1      25   19   24 o    1.897000      0.5528000       2.189000 0.8233000       1.606000      0.7380000      0.5836000       1.106000
  1 1 1      25   19   25 o    2.866000      0.7685000       2.866000 0.7685000                  ?              ?              ?              ?
  1 1 1      25   19   26 o    1.487000      0.4768000       1.773000 0.7440000       1.200000      0.5966000      0.5730000      0.9536000
  1 1 1      25   19   27 o    2.689000      0.9114000                  ?       ?   2.689000      0.9114000                  ?              ?
  1 1 1      25   20    0 o    2.382000      0.5976000       2.340000 0.8680000       2.423000      0.8216000     -0.8288000E-01   1.195000
  1 1 1      25   20    1 o    7.402000      0.2961000       7.715000 0.4174000       7.089000      0.4202000      0.6256000      0.5922000
  1 1 1      25   20    2 o    8.815000      0.2758000       8.874000 0.4051000       8.756000      0.3745000      0.1179000      0.5516000
  1 1 1      25   20    3 o    4.685000      0.4069000       4.338000 0.6400000       5.032000      0.5028000     -0.6943000      0.8139000
  1 1 1      25   20    4 o    11.76000      0.2564000       12.09000 0.3678000       11.44000      0.3573000      0.6556000      0.5128000
  1 1 1      25   20    5 o    2.493000      0.5856000       2.661000 0.8551000       2.325000      0.8004000      0.3351000       1.171000
  1 1 1      25   20    6 o    5.374000      0.3486000       5.492000 0.5109000       5.256000      0.4743000      0.2367000      0.6971000
  1 1 1      25   20    7 f    5.866000      0.4073000       5.553000 0.6730000       6.179000      0.4590000     -0.6258000      0.8146000
  1 1 1      25   20    8 o    9.620000      0.3227000       10.01000 0.5010000       9.227000      0.4068000      0.7856000      0.6454000
  1 1 1      25   20    9 o    5.426000      0.3165000       5.217000 0.5020000       5.636000      0.3856000     -0.4192000      0.6330000
  1 1 1      25   20   10 o    2.851000      0.5045000       2.466000 0.8104000       3.237000      0.6010000     -0.7709000       1.009000
  1 1 1      25   20   11 o    1.801000      0.5137000       1.860000 0.7532000       1.743000      0.6988000      0.1173000       1.027000
  1 1 1      25   20   12 o    3.515000      0.6518000       4.387000 0.8150000       2.642000       1.017000       1.745000       1.304000
  1 1 1      25   20   13 o    6.623000      0.4545000       7.059000 0.5549000       6.187000      0.7201000      0.8720000      0.9091000
  1 1 1      25   20   14 o    4.641000      0.4971000       4.418000 0.4909000       4.864000      0.8647000     -0.4457000      0.9943000
  1 1 1      25   20   15 o    5.719000      0.2577000       5.762000 0.3901000       5.676000      0.3367000      0.8554000E-01  0.5153000
  1 1 1      25   20   16 o    5.285000      0.2559000       5.595000 0.3795000       4.975000      0.3435000      0.6198000      0.5119000
  1 1 1      25   20   17 o    2.375000      0.4444000       1.654000 0.6968000       3.096000      0.5518000      -1.442000      0.8888000
  1 1 1      25   20   18 o    5.340000      0.2615000       5.697000 0.3616000       4.983000      0.3777000      0.7143000      0.5229000
  1 1 1      25   20   19 o    6.432000      0.2423000       6.122000 0.3428000       6.742000      0.3426000     -0.6200000      0.4846000
  1 1 1      25   20   20 o    9.328000      0.2228000       9.254000 0.3065000       9.401000      0.3234000     -0.1473000      0.4456000
  1 1 1      25   20   21 o    5.527000      0.3269000       5.552000 0.4269000       5.503000      0.4952000      0.4966000E-01  0.6538000
  1 1 1      25   20   22 o    5.165000      0.3409000       5.103000 0.4461000       5.226000      0.5155000     -0.1224000      0.6817000
  1 1 1      25   20   23 o    1.910000      0.5674000       1.839000 0.7714000       1.982000      0.8323000     -0.1435000       1.135000
  1 1 1      25   20   24 o    1.714000      0.5298000       1.880000 0.7711000       1.548000      0.7268000      0.3318000       1.060000
  1 1 1      25   20   25 o    1.665000      0.5105000       1.978000 0.8004000       1.351000      0.6339000      0.6280000       1.021000
  1 1 1      25   20   26 o    2.473000      0.6282000       2.558000 0.8761000       2.389000      0.9007000      0.1684000       1.256000
  1 1 1      25   21    0 o    4.300000      0.4777000       4.547000 0.6976000       4.053000      0.6528000      0.4936000      0.9554000
  1 1 1      25   21    1 o    7.863000      0.2890000       8.315000 0.4262000       7.411000      0.3903000      0.9042000      0.5779000
  1 1 1      25   21    2 o    8.342000      0.2758000       8.146000 0.4027000       8.537000      0.3768000     -0.3916000      0.5515000
  1 1 1      25   21    3 o    2.015000      0.5592000       1.731000 0.7692000       2.299000      0.8119000     -0.5676000       1.118000
  1 1 1      25   21    4 o    6.631000      0.3117000       6.784000 0.4531000       6.479000      0.4283000      0.3052000      0.6235000
  1 1 1      25   21    5 o    2.499000      0.5676000       2.971000 0.8384000       2.026000      0.7655000      0.9442000       1.135000
  1 1 1      25   21    6 o    5.528000      0.3321000       5.507000 0.5089000       5.548000      0.4268000     -0.4066000E-01  0.6642000
  1 1 1      25   21    7 o    3.179000      0.5057000       2.774000 0.8251000       3.584000      0.5851000     -0.8105000       1.011000
  1 1 1      25   21    8 o    5.549000      0.3189000       6.107000 0.4467000       4.992000      0.4552000       1.115000      0.6378000
  1 1 1      25   21    9 o    4.845000      0.4468000       5.102000 0.7085000       4.587000      0.5446000      0.5147000      0.8936000
  1 1 1      25   21   10 o    5.195000      0.4230000       5.514000 0.6748000       4.875000      0.5103000      0.6387000      0.8460000
  1 1 1      25   21   11 o    3.801000      0.4208000       3.408000 0.6828000       4.195000      0.4921000     -0.7868000      0.8417000
  1 1 1      25   21   12 o    2.093000      0.5238000       2.154000 0.7689000       2.033000      0.7116000      0.1210000       1.048000
  1 1 1      25   21   13 o    2.307000      0.5117000       2.053000 0.7736000       2.562000      0.6699000     -0.5092000       1.023000
  1 1 1      25   21   14 o    3.271000      0.5320000       3.353000 0.9625000       3.190000      0.4538000      0.1632000       1.064000
  1 1 1      25   21   15 o    4.421000      0.6305000       3.537000 0.9666000       5.304000      0.8099000      -1.767000       1.261000
  1 1 1      25   21   16 o    1.854000      0.5843000       2.033000 0.8460000       1.675000      0.8062000      0.3578000       1.169000
  1 1 1      25   21   17 o    3.304000      0.6305000       4.245000 0.7798000       2.364000      0.9909000       1.881000       1.261000
  1 1 1      25   21   18 o    4.082000      0.3537000       4.325000 0.4699000       3.838000      0.5288000      0.4874000      0.7074000
  1 1 1      25   21   19 o    4.732000      0.3245000       4.653000 0.4428000       4.810000      0.4746000     -0.1567000      0.6490000
  1 1 1      25   21   20 o    11.72000      0.2348000       11.83000 0.3216000       11.61000      0.3421000      0.2231000      0.4695000
  1 1 1      25   21   21 o    2.580000      0.5193000       3.304000 0.6803000       1.855000      0.7848000       1.449000       1.039000
  1 1 1      25   21   22 o    3.250000      0.5542000       4.117000 0.6495000       2.383000      0.8983000       1.734000       1.108000
  1 1 1      25   21   23 o    2.690000      0.6063000       2.176000 0.8306000       3.205000      0.8836000      -1.029000       1.213000
  1 1 1      25   21   24 o    1.602000      0.5226000       1.639000 0.7329000       1.565000      0.7452000      0.7465000E-01   1.045000
  1 1 1      25   21   25 o    3.347000      0.6290000       3.441000 0.8053000       3.254000      0.9663000      0.1866000       1.258000
  1 1 1      25   21   26 o    2.475000      0.6764000       2.149000 0.8711000       2.801000       1.035000     -0.6519000       1.353000
  1 1 1      25   22    0 o    3.510000      0.5479000       3.991000 0.7694000       3.029000      0.7803000      0.9629000       1.096000
  1 1 1      25   22    1 o    7.105000      0.3116000       7.365000 0.4521000       6.844000      0.4288000      0.5203000      0.6231000
  1 1 1      25   22    2 o    7.014000      0.3024000       7.426000 0.4299000       6.601000      0.4253000      0.8253000      0.6047000
  1 1 1      25   22    3 o    6.285000      0.3152000       6.259000 0.4648000       6.310000      0.4257000     -0.5120000E-01  0.6303000
  1 1 1      25   22    4 o    6.762000      0.2983000       6.879000 0.4456000       6.644000      0.3968000      0.2348000      0.5966000
  1 1 1      25   22    5 o    3.076000      0.5193000       2.285000 0.8449000       3.866000      0.6039000      -1.581000       1.039000
  1 1 1      25   22    6 o    2.582000      0.5540000       2.325000 0.8127000       2.840000      0.7532000     -0.5143000       1.108000
  1 1 1      25   22    7 o    4.154000      0.4299000       3.732000 0.6954000       4.577000      0.5055000     -0.8450000      0.8597000
  1 1 1      25   22    8 o    5.240000      0.3432000       5.409000 0.5058000       5.070000      0.4641000      0.3385000      0.6865000
  1 1 1      25   22    9 o    7.274000      0.2708000       7.221000 0.3994000       7.326000      0.3659000     -0.1059000      0.5417000
  1 1 1      25   22   10 o    4.596000      0.3629000       4.478000 0.5676000       4.713000      0.4525000     -0.2354000      0.7259000
  1 1 1      25   22   11 o    3.211000      0.5772000       3.197000 0.9045000       3.226000      0.7173000     -0.2909000E-01   1.154000
  1 1 1      25   22   12 o    4.609000      0.4362000       4.644000 0.7239000       4.574000      0.4870000      0.6957000E-01  0.8725000
  1 1 1      25   22   13 o    3.235000      0.5159000       2.706000 0.8854000       3.764000      0.5299000      -1.058000       1.032000
  1 1 1      25   22   14 o    2.183000      0.5141000       2.170000 0.7556000       2.196000      0.6974000     -0.2622000E-01   1.028000
  1 1 1      25   22   15 o    5.607000      0.2746000       5.630000 0.4009000       5.584000      0.3753000      0.4614000E-01  0.5491000
  1 1 1      25   22   16 o    6.932000      0.2451000       6.536000 0.3665000       7.328000      0.3255000     -0.7921000      0.4902000
  1 1 1      25   22   17 o    1.269000      0.4222000       1.394000 0.6410000       1.144000      0.5496000      0.2494000      0.8443000
  1 1 1      25   22   18 o    2.155000      0.6266000       2.615000 0.9496000       1.695000      0.8178000      0.9206000       1.253000
  1 1 1      25   22   19 o    4.851000      0.5453000       4.899000 0.6438000       4.804000      0.8802000      0.9439000E-01   1.091000
  1 1 1      25   22   20 o    3.298000      0.6893000       2.906000 0.9030000       3.690000       1.042000     -0.7846000       1.379000
  1 1 1      25   22   21 o    2.813000      0.7054000       2.310000 0.9008000       3.317000       1.086000      -1.007000       1.411000
  1 1 1      25   22   22 o    7.398000      0.4174000       7.526000 0.5243000       7.269000      0.6496000      0.2573000      0.8347000
  1 1 1      25   22   23 f    2.309000      0.5744000       1.402000 0.6703000       3.216000      0.9331000      -1.814000       1.149000
  1 1 1      25   22   24 o    2.054000      0.6059000       2.322000 0.8896000       1.787000      0.8229000      0.5354000       1.212000
  1 1 1      25   22   25 f    2.559000      0.6297000       3.159000 0.9063000       1.959000      0.8743000       1.200000       1.259000
  1 1 1      25   23    0 o    6.336000      0.3582000       6.044000 0.5526000       6.629000      0.4559000     -0.5849000      0.7164000
  1 1 1      25   23    1 o    8.455000      0.2880000       8.520000 0.4227000       8.391000      0.3913000      0.1284000      0.5760000
  1 1 1      25   23    2 o    10.49000      0.2638000       10.33000 0.3890000       10.64000      0.3563000     -0.3127000      0.5275000
  1 1 1      25   23    3 o    7.847000      0.2755000       7.832000 0.3900000       7.862000      0.3892000     -0.3050000E-01  0.5510000
  1 1 1      25   23    4 o    5.535000      0.3460000       5.441000 0.5395000       5.628000      0.4335000     -0.1871000      0.6921000
  1 1 1      25   23    5 o    2.283000      0.5160000       1.559000 0.7190000       3.008000      0.7404000      -1.448000       1.032000
  1 1 1      25   23    6 o    4.735000      0.3757000       5.227000 0.5180000       4.244000      0.5443000      0.9835000      0.7514000
  1 1 1      25   23    7 o    5.402000      0.3461000       4.969000 0.5384000       5.835000      0.4352000     -0.8665000      0.6922000
  1 1 1      25   23    8 o    4.263000      0.4214000       3.846000 0.6839000       4.680000      0.4926000     -0.8340000      0.8428000
  1 1 1      25   23    9 o    1.845000      0.5186000       1.627000 0.7187000       2.062000      0.7479000     -0.4349000       1.037000
  1 1 1      25   23   10 o    2.571000      0.5190000       2.109000 0.8019000       3.032000      0.6591000     -0.9231000       1.038000
  1 1 1      25   23   11 o    1.881000      0.5234000       1.787000 0.7517000       1.975000      0.7284000     -0.1881000       1.047000
  1 1 1      25   23   12 o    2.481000      0.5003000       2.205000 0.7767000       2.756000      0.6308000     -0.5505000       1.001000
  1 1 1      25   23   13 o    4.408000      0.3295000       4.523000 0.4874000       4.292000      0.4436000      0.2304000      0.6590000
  1 1 1      25   23   14 o    1.367000      0.4588000       1.659000 0.7510000       1.074000      0.5271000      0.5849000      0.9176000
  1 1 1      25   23   15 o    5.595000      0.3622000       5.202000 0.5817000       5.987000      0.4317000     -0.7849000      0.7245000
  1 1 1      25   23   16 o    8.082000      0.2931000       8.198000 0.4383000       7.965000      0.3892000      0.2326000      0.5862000
  1 1 1      25   23   17 o    4.043000      0.5068000       4.536000 0.6952000       3.551000      0.7376000      0.9849000       1.014000
  1 1 1      25   23   18 o    4.095000      0.4037000       3.677000 0.6243000       4.514000      0.5121000     -0.8367000      0.8074000
  1 1 1      25   23   19 o    4.494000      0.4093000       4.290000 0.5916000       4.698000      0.5659000     -0.4078000      0.8187000
  1 1 1      25   23   20 o    1.508000      0.4900000       1.592000 0.7081000       1.424000      0.6774000      0.1676000      0.9799000
  1 1 1      25   23   21 o    4.387000      0.4779000       4.536000 0.6117000       4.239000      0.7345000      0.2967000      0.9558000
  1 1 1      25   23   22 o    6.634000      0.4189000       6.286000 0.4945000       6.981000      0.6763000     -0.6946000      0.8378000
  1 1 1      25   23   23 o    1.997000      0.5917000       1.666000 0.7490000       2.328000      0.9162000     -0.6626000       1.183000
  1 1 1      25   23   24 o    2.523000      0.7056000       2.668000 0.9816000       2.379000       1.014000      0.2893000       1.411000
  1 1 1      25   23   25 o    3.440000       1.091000                  ?       ?   3.440000       1.091000                  ?              ?
  1 1 1      25   24    0 o    2.177000      0.5873000       2.524000 0.8971000       1.831000      0.7583000      0.6927000       1.175000
  1 1 1      25   24    1 o    5.520000      0.3620000       5.378000 0.5373000       5.662000      0.4854000     -0.2845000      0.7241000
  1 1 1      25   24    2 o    6.306000      0.3376000       6.340000 0.5088000       6.273000      0.4439000      0.6690000E-01  0.6752000
  1 1 1      25   24    3 f    3.695000      0.5120000       3.884000 0.7315000       3.506000      0.7165000      0.3779000       1.024000
  1 1 1      25   24    4 o    4.178000      0.4651000       4.802000 0.6468000       3.554000      0.6684000       1.248000      0.9301000
  1 1 1      25   24    5 o    4.601000      0.4204000       4.881000 0.6044000       4.320000      0.5845000      0.5614000      0.8408000
  1 1 1      25   24    6 o    6.909000      0.3062000       6.584000 0.4765000       7.235000      0.3847000     -0.6506000      0.6124000
  1 1 1      25   24    7 o    4.288000      0.4290000       4.091000 0.6872000       4.486000      0.5138000     -0.3952000      0.8580000
  1 1 1      25   24    8 o    3.639000      0.4754000       3.700000 0.7222000       3.577000      0.6184000      0.1230000      0.9507000
  1 1 1      25   24    9 o    3.330000      0.4817000       4.024000 0.6082000       2.636000      0.7470000       1.388000      0.9633000
  1 1 1      25   24   10 o    1.642000      0.4708000       1.177000 0.5743000       2.107000      0.7462000     -0.9303000      0.9417000
  1 1 1      25   24   11 o    1.524000      0.4690000       1.496000 0.6750000       1.553000      0.6513000     -0.5657000E-01  0.9379000
  1 1 1      25   24   12 o    2.847000      0.5010000       3.209000 0.7292000       2.486000      0.6873000      0.7228000       1.002000
  1 1 1      25   24   13 o    3.164000      0.4696000       2.822000 0.7430000       3.505000      0.5745000     -0.6825000      0.9392000
  1 1 1      25   24   14 o    3.008000      0.4993000       3.135000 0.7170000       2.881000      0.6951000      0.2539000      0.9986000
  1 1 1      25   24   15 f    5.942000      0.2824000       5.910000 0.4097000       5.975000      0.3887000     -0.6497000E-01  0.5648000
  1 1 1      25   24   16 o    6.222000      0.2831000       6.161000 0.3846000       6.283000      0.4155000     -0.1220000      0.5662000
  1 1 1      25   24   17 o    4.767000      0.3588000       4.269000 0.5264000       5.265000      0.4878000     -0.9955000      0.7176000
  1 1 1      25   24   18 o    2.759000      0.5938000       2.071000 0.7988000       3.447000      0.8788000      -1.376000       1.188000
  1 1 1      25   24   19 o    3.893000      0.7095000       4.134000 0.9961000       3.652000       1.011000      0.4824000       1.419000
  1 1 1      25   24   20 o    2.602000      0.7262000       2.959000 1.104000       2.245000      0.9441000      0.7135000       1.452000
  1 1 1      25   24   21 o    2.479000      0.7505000       2.935000 1.165000       2.023000      0.9468000      0.9123000       1.501000
  1 1 1      25   24   22 o    4.092000      0.7983000       5.168000 1.090000       3.017000       1.167000       2.151000       1.597000
  1 1 1      25   24   23 o    3.989000      0.9236000       3.705000 1.272000       4.272000       1.339000     -0.5666000       1.847000
  1 1 1      25   24   24 o    2.326000      0.7320000       2.621000 1.163000       2.031000      0.8899000      0.5902000       1.464000
  1 1 1      25   25    0 o    2.641000      0.5761000       2.017000 0.8528000       3.265000      0.7748000      -1.247000       1.152000
  1 1 1      25   25    1 o    8.030000      0.2953000       7.677000 0.4523000       8.383000      0.3796000     -0.7067000      0.5905000
  1 1 1      25   25    2 o    11.87000      0.2658000       11.63000 0.3870000       12.12000      0.3645000     -0.4937000      0.5316000
  1 1 1      25   25    3 o    4.024000      0.4784000       4.725000 0.6358000       3.323000      0.7149000       1.402000      0.9567000
  1 1 1      25   25    4 o    5.970000      0.3415000       6.257000 0.4679000       5.684000      0.4975000      0.5730000      0.6830000
  1 1 1      25   25    5 o    2.257000      0.5725000       2.444000 0.8459000       2.069000      0.7716000      0.3753000       1.145000
  1 1 1      25   25    6 o    9.453000      0.2684000       9.288000 0.3930000       9.617000      0.3657000     -0.3295000      0.5369000
  1 1 1      25   25    7 o    4.241000      0.4304000       4.230000 0.6497000       4.251000      0.5648000     -0.2121000E-01  0.8609000
  1 1 1      25   25    8 o    2.376000      0.5513000       1.946000 0.7918000       2.806000      0.7673000     -0.8599000       1.103000
  1 1 1      25   25    9 o    4.864000      0.3568000       4.826000 0.5372000       4.903000      0.4697000     -0.7714000E-01  0.7136000
  1 1 1      25   25   10 o    2.667000      0.4766000       1.895000 0.7704000       3.439000      0.5612000      -1.544000      0.9532000
  1 1 1      25   25   11 o    7.516000      0.2536000       7.973000 0.3648000       7.059000      0.3525000      0.9136000      0.5073000
  1 1 1      25   25   12 o    2.341000      0.5274000       1.996000 0.7730000       2.687000      0.7175000     -0.6911000       1.055000
  1 1 1      25   25   13 o    2.582000      0.5230000       3.122000 0.7195000       2.043000      0.7593000       1.079000       1.046000
  1 1 1      25   25   14 o    4.834000      0.3345000       4.884000 0.4694000       4.783000      0.4767000      0.1003000      0.6690000
  1 1 1      25   25   15 o    4.890000      0.3368000       4.818000 0.4762000       4.961000      0.4764000     -0.1427000      0.6736000
  1 1 1      25   25   16 o    4.908000      0.3557000       4.645000 0.5044000       5.171000      0.5018000     -0.5252000      0.7115000
  1 1 1      25   25   17 o    3.979000      0.4565000       3.780000 0.6534000       4.178000      0.6377000     -0.3981000      0.9131000
  1 1 1      25   25   18 o    3.712000      0.5241000       3.855000 0.6714000       3.570000      0.8051000      0.2851000       1.048000
  1 1 1      25   25   19 o    3.105000      0.6266000       2.967000 0.8669000       3.242000      0.9049000     -0.2752000       1.253000
  1 1 1      25   25   20 o    2.672000      0.6415000       2.678000 0.8889000       2.666000      0.9253000      0.1212000E-01   1.283000
  1 1 1      25   25   21 o    2.584000      0.6493000       2.970000 0.9093000       2.197000      0.9271000      0.7724000       1.299000
  1 1 1      25   25   22 o    2.109000      0.6320000       2.001000 0.8600000       2.216000      0.9265000     -0.2156000       1.264000
  1 1 1      25   25   23 o    3.381000      0.6696000       4.021000 0.8502000       2.740000       1.035000       1.281000       1.339000
  1 1 1      25   26    0 o    4.688000      0.6024000                  ?       ?   4.688000      0.6024000                  ?              ?
  1 1 1      25   26    1 o    5.879000      0.3988000       5.867000 0.6284000       5.891000      0.4911000     -0.2344000E-01  0.7976000
  1 1 1      25   26    2 o    8.285000      0.3006000       8.075000 0.4634000       8.496000      0.3830000     -0.4210000      0.6012000
  1 1 1      25   26    3 o    5.055000      0.4082000       5.293000 0.5880000       4.817000      0.5662000      0.4758000      0.8163000
  1 1 1      25   26    4 o    6.545000      0.3305000       6.167000 0.5101000       6.923000      0.4204000     -0.7558000      0.6611000
  1 1 1      25   26    5 o    4.230000      0.4796000       3.435000 0.8033000       5.026000      0.5243000      -1.591000      0.9592000
  1 1 1      25   26    6 o    5.421000      0.3502000       5.304000 0.5278000       5.539000      0.4605000     -0.2348000      0.7004000
  1 1 1      25   26    7 o    1.915000      0.5169000       2.670000 0.8648000       1.160000      0.5664000       1.510000       1.034000
  1 1 1      25   26    8 o    5.187000      0.3462000       4.917000 0.5539000       5.457000      0.4156000     -0.5404000      0.6925000
  1 1 1      25   26    9 o    5.731000      0.3091000       5.593000 0.4731000       5.869000      0.3981000     -0.2764000      0.6183000
  1 1 1      25   26   10 o    2.642000      0.5075000       2.092000 0.7914000       3.191000      0.6355000      -1.098000       1.015000
  1 1 1      25   26   11 o    4.047000      0.4196000       3.877000 0.6314000       4.217000      0.5529000     -0.3403000      0.8393000
  1 1 1      25   26   12 o    3.297000      0.4958000       3.132000 0.7414000       3.462000      0.6586000     -0.3295000      0.9917000
  1 1 1      25   26   13 o    2.967000      0.5371000       2.840000 0.7678000       3.094000      0.7514000     -0.2540000       1.074000
  1 1 1      25   26   14 o    3.305000      0.4897000       3.205000 0.7182000       3.405000      0.6661000     -0.2000000      0.9795000
  1 1 1      25   26   15 o    2.479000      0.5692000       2.081000 0.7852000       2.877000      0.8243000     -0.7963000       1.138000
  1 1 1      25   26   16 o    5.025000      0.3852000       5.416000 0.4711000       4.634000      0.6096000      0.7818000      0.7704000
  1 1 1      25   26   17 o    3.966000      0.5046000       2.753000 0.8279000       5.178000      0.5773000      -2.425000       1.009000
  1 1 1      25   26   18 o    2.675000      0.6352000       2.577000 0.8662000       2.772000      0.9293000     -0.1949000       1.270000
  1 1 1      25   26   19 o    2.375000      0.6136000       2.751000 0.8829000       2.000000      0.8524000      0.7507000       1.227000
  1 1 1      25   26   20 o    3.204000      0.6471000       3.435000 0.8420000       2.974000      0.9828000      0.4602000       1.294000
  1 1 1      25   26   21 o    1.709000      0.5628000       1.692000 0.7773000       1.727000      0.8142000     -0.3539000E-01   1.126000
  1 1 1      25   26   22 o    3.386000      0.7065000       3.415000 0.9714000       3.357000       1.026000      0.5756000E-01   1.413000
  1 1 1      25   27    0 o    8.281000      0.7865000                  ?       ?   8.281000      0.7865000                  ?              ?
  1 1 1      25   27    1 o    5.095000      0.7501000       5.761000 0.8635000       4.429000       1.227000       1.333000       1.500000
  1 1 1      25   27    2 o    7.187000      0.3412000       6.945000 0.5285000       7.429000      0.4318000     -0.4841000      0.6825000
  1 1 1      25   27    3 f    3.908000      0.5348000       3.324000 0.8999000       4.491000      0.5784000      -1.168000       1.070000
  1 1 1      25   27    4 o    3.979000      0.5184000       3.464000 0.8440000       4.493000      0.6021000      -1.030000       1.037000
  1 1 1      25   27    5 o    3.207000      0.5377000       2.360000 0.8697000       4.053000      0.6324000      -1.693000       1.075000
  1 1 1      25   27    6 o    3.035000      0.5577000       3.779000 0.7484000       2.292000      0.8272000       1.487000       1.115000
  1 1 1      25   27    7 o    1.762000      0.5237000       1.583000 0.7181000       1.940000      0.7626000     -0.3578000       1.047000
  1 1 1      25   27    8 o    2.920000      0.5288000       2.740000 0.8393000       3.100000      0.6435000     -0.3596000       1.058000
  1 1 1      25   27    9 o    3.166000      0.5239000       3.102000 0.8148000       3.229000      0.6588000     -0.1267000       1.048000
  1 1 1      25   27   10 o    2.066000      0.5470000       1.967000 0.7924000       2.165000      0.7542000     -0.1978000       1.094000
  1 1 1      25   27   11 o    4.964000      0.3609000       5.184000 0.5199000       4.744000      0.5006000      0.4397000      0.7217000
  1 1 1      25   27   12 o    8.892000      0.2559000       8.678000 0.3753000       9.105000      0.3480000     -0.4265000      0.5118000
  1 1 1      25   27   13 o    4.521000      0.4082000       4.762000 0.5604000       4.281000      0.5937000      0.4810000      0.8165000
  1 1 1      25   27   14 o    2.360000      0.5951000       2.170000 0.8386000       2.551000      0.8447000     -0.3806000       1.190000
  1 1 1      25   27   15 o    6.865000      0.3153000       6.513000 0.4610000       7.217000      0.4302000     -0.7043000      0.6306000
  1 1 1      25   27   16 o    5.823000      0.3681000       5.805000 0.4979000       5.842000      0.5423000     -0.3691000E-01  0.7362000
  1 1 1      25   27   17 f    3.604000      0.5862000       3.711000 0.7913000       3.496000      0.8652000      0.2154000       1.172000
  1 1 1      25   27   18 o    2.304000      0.6306000       2.290000 0.8760000       2.318000      0.9075000     -0.2782000E-01   1.261000
  1 1 1      25   27   19 o    2.116000      0.6161000       2.167000 0.8641000       2.065000      0.8784000      0.1026000       1.232000
  1 1 1      25   27   20 o    1.808000      0.5839000       1.800000 0.8055000       1.815000      0.8456000     -0.1544000E-01   1.168000
  1 1 1      25   27   21 o    2.297000      0.6705000       2.092000 0.8925000       2.503000       1.001000     -0.4115000       1.341000
  1 1 1      25   28    0 f    6.830000      0.3733000       6.184000 0.5850000       7.477000      0.4640000      -1.294000      0.7467000
  1 1 1      25   28    1 o    6.825000      0.3650000       6.131000 0.5850000       7.519000      0.4368000      -1.388000      0.7301000
  1 1 1      25   28    2 o    6.376000      0.5638000       5.980000 0.7779000       6.771000      0.8162000     -0.7904000       1.128000
  1 1 1      25   28    3 o    3.355000      0.8015000       3.394000 1.036000       3.317000       1.223000      0.7705000E-01   1.603000
  1 1 1      25   28    4 o    2.408000      0.6826000       2.424000 0.8362000       2.392000       1.079000      0.3116000E-01   1.365000
  1 1 1      25   28    5 o    1.756000      0.5466000       1.780000 0.7944000       1.732000      0.7509000      0.4843000E-01   1.093000
  1 1 1      25   28    6 o    2.644000      0.6018000       2.489000 0.8833000       2.800000      0.8177000     -0.3114000       1.204000
  1 1 1      25   28    7 o    2.860000      0.5040000       1.864000 0.8037000       3.855000      0.6084000      -1.991000       1.008000
  1 1 1      25   28    8 o    2.703000      0.5358000       2.033000 0.8302000       3.373000      0.6775000      -1.340000       1.072000
  1 1 1      25   28    9 o    2.793000      0.5735000       2.884000 0.8344000       2.702000      0.7870000      0.1823000       1.147000
  1 1 1      25   28   10 o    1.944000      0.5472000       2.343000 0.8405000       1.545000      0.7008000      0.7987000       1.094000
  1 1 1      25   28   11 o    4.254000      0.4540000       4.254000 0.6405000       4.254000      0.6437000     -0.2241000E-03  0.9081000
  1 1 1      25   28   12 o    5.077000      0.3833000       4.947000 0.5500000       5.207000      0.5340000     -0.2598000      0.7666000
  1 1 1      25   28   13 o    3.727000      0.5417000       3.918000 0.7348000       3.536000      0.7962000      0.3824000       1.083000
  1 1 1      25   28   14 o    1.994000      0.5707000       2.302000 0.8468000       1.686000      0.7653000      0.6168000       1.141000
  1 1 1      25   28   15 o    3.561000      0.5616000       3.431000 0.8037000       3.692000      0.7845000     -0.2608000       1.123000
  1 1 1      25   28   16 o    3.098000      0.6515000       3.260000 0.9117000       2.937000      0.9308000      0.3222000       1.303000
  1 1 1      25   28   17 o    2.026000      0.6022000       2.350000 0.9168000       1.702000      0.7812000      0.6485000       1.204000
  1 1 1      25   28   18 o    2.320000      0.6385000       2.658000 0.9538000       1.982000      0.8490000      0.6768000       1.277000
  1 1 1      25   28   19 o    2.329000      0.6648000       2.263000 0.9196000       2.395000      0.9603000     -0.1321000       1.330000
  1 1 1      25   28   20 o    2.458000      0.6907000       2.612000 0.9845000       2.304000      0.9690000      0.3082000       1.381000
  1 1 1      25   29    0 o    2.954000      0.7645000       3.241000 1.172000       2.666000      0.9815000      0.5758000       1.529000
  1 1 1      25   29    1 o    2.523000      0.5625000       1.716000 0.7588000       3.330000      0.8305000      -1.613000       1.125000
  1 1 1      25   29    2 o    2.508000      0.6246000       2.691000 0.9294000       2.325000      0.8348000      0.3653000       1.249000
  1 1 1      25   29    3 o    2.928000      0.6000000       3.498000 0.8390000       2.358000      0.8580000       1.139000       1.200000
  1 1 1      25   29    4 o    2.110000      0.5875000       1.792000 0.7958000       2.428000      0.8645000     -0.6360000       1.175000
  1 1 1      25   29    5 o    2.710000      0.7732000       2.091000 0.9367000       3.329000       1.230000      -1.237000       1.546000
  1 1 1      25   29    6 o    2.392000      0.7260000       2.022000 0.9112000       2.762000       1.130000     -0.7396000       1.452000
  1 1 1      25   29    7 o    3.384000      0.7977000       3.225000 0.9926000       3.544000       1.249000     -0.3191000       1.595000
  1 1 1      25   29    8 f    2.025000      0.5773000       2.092000 0.8332000       1.958000      0.7991000      0.1341000       1.155000
  1 1 1      25   29    9 o    2.159000      0.5898000       2.374000 0.8590000       1.945000      0.8083000      0.4297000       1.180000
  1 1 1      25   29   10 f    2.697000      0.5708000       2.007000 0.8220000       3.387000      0.7922000      -1.380000       1.142000
  1 1 1      25   29   11 o    3.840000      0.5386000       3.825000 0.8187000       3.855000      0.7001000     -0.2965000E-01   1.077000
  1 1 1      25   29   12 o    2.725000      0.5612000       1.876000 0.8200000       3.573000      0.7663000      -1.697000       1.122000
  1 1 1      25   29   13 o    2.404000      0.6266000       2.269000 0.8907000       2.540000      0.8814000     -0.2708000       1.253000
  1 1 1      25   29   14 o    4.083000      0.5360000       4.178000 0.7603000       3.987000      0.7557000      0.1908000       1.072000
  1 1 1      25   29   15 o    2.733000      0.6465000       2.879000 0.9170000       2.586000      0.9118000      0.2929000       1.293000
  1 1 1      25   29   16 o    3.266000      0.6488000       3.291000 0.8991000       3.242000      0.9356000      0.4950000E-01   1.298000
  1 1 1      25   29   17 o    2.142000      0.5991000       2.781000 0.9559000       1.503000      0.7223000       1.278000       1.198000
  1 1 1      25   29   18 o    1.916000      0.6048000       1.914000 0.8570000       1.917000      0.8536000     -0.3088000E-02   1.210000
  1 1 1      25   29   19 o    2.036000      0.6378000       1.940000 0.8702000       2.132000      0.9327000     -0.1927000       1.276000
  1 1 1      25   30    0 o    2.675000      0.6710000       2.652000 0.9768000       2.698000      0.9202000     -0.4603000E-01   1.342000
  1 1 1      25   30    1 o    2.106000      0.6051000       1.968000 0.8517000       2.244000      0.8597000     -0.2766000       1.210000
  1 1 1      25   30    2 o    3.294000      0.6735000       2.572000 1.096000       4.017000      0.7824000      -1.444000       1.347000
  1 1 1      25   30    3 o    3.812000      0.6580000       3.018000 1.093000       4.605000      0.7337000      -1.586000       1.316000
  1 1 1      25   30    4 o    2.561000      0.6743000       2.680000 1.036000       2.442000      0.8629000      0.2378000       1.349000
  1 1 1      25   30    5 f    1.553000      0.5102000       1.782000 0.7961000       1.324000      0.6384000      0.4585000       1.020000
  1 1 1      25   30    6 o    3.267000      0.6026000       3.368000 0.8768000       3.166000      0.8268000      0.2028000       1.205000
  1 1 1      25   30    7 o    3.173000      0.5965000       3.001000 0.9041000       3.345000      0.7783000     -0.3435000       1.193000
  1 1 1      25   30    8 o    1.932000      0.5538000       1.442000 0.6814000       2.421000      0.8732000     -0.9789000       1.108000
  1 1 1      25   30    9 f    2.373000      0.7269000       2.169000 0.9125000       2.577000       1.132000     -0.4084000       1.454000
  1 1 1      25   30   10 o    2.927000      0.8053000       2.575000 1.004000       3.278000       1.260000     -0.7027000       1.611000
  1 1 1      25   30   11 o    3.474000      0.8079000       3.773000 1.019000       3.175000       1.254000      0.5979000       1.616000
  1 1 1      25   30   12 o    3.423000      0.8227000       2.676000 1.092000       4.171000       1.231000      -1.495000       1.645000
  1 1 1      25   30   13 o    3.833000      0.6178000       3.760000 0.9099000       3.907000      0.8360000     -0.1469000       1.236000
  1 1 1      25   30   14 o    2.295000      0.6334000       2.110000 0.8810000       2.479000      0.9102000     -0.3695000       1.267000
  1 1 1      25   30   15 o    3.138000      0.6527000       2.701000 0.9504000       3.576000      0.8949000     -0.8745000       1.305000
  1 1 1      25   30   16 o    2.579000      0.6766000       2.712000 0.9591000       2.446000      0.9547000      0.2662000       1.353000
  1 1 1      25   30   17 o    2.658000      0.6966000       2.589000 0.9841000       2.727000      0.9863000     -0.1377000       1.393000
  1 1 1      25   30   18 o    2.410000      0.6925000       2.340000 0.9595000       2.479000      0.9988000     -0.1392000       1.385000
  1 1 1      25   31    0 o    2.988000      0.6155000       2.140000 0.9026000       3.837000      0.8370000      -1.697000       1.231000
  1 1 1      25   31    1 o    2.924000      0.9527000                  ?       ?   2.924000      0.9527000                  ?              ?
  1 1 1      25   31    2 o    5.311000      0.4614000       5.198000 0.6937000       5.424000      0.6085000     -0.2259000      0.9228000
  1 1 1      25   31    3 f    3.530000      0.6012000       3.788000 0.8797000       3.271000      0.8197000      0.5170000       1.202000
  1 1 1      25   31    4 o    2.041000      0.5908000       2.482000 0.9191000       1.601000      0.7425000      0.8817000       1.182000
  1 1 1      25   31    5 o    2.323000      0.6577000       3.177000 1.104000       1.469000      0.7147000       1.709000       1.315000
  1 1 1      25   31    6 o    3.946000      0.7119000       3.908000 1.147000       3.984000      0.8435000     -0.7672000E-01   1.424000
  1 1 1      25   31    7 o    3.969000      0.7436000       4.215000 1.148000       3.723000      0.9448000      0.4921000       1.487000
  1 1 1      25   31    8 o    3.061000      0.7363000       3.757000 1.200000       2.365000      0.8531000       1.392000       1.473000
  1 1 1      25   31    9 o    3.218000      0.6486000       3.449000 0.9102000       2.986000      0.9243000      0.4630000       1.297000
  1 1 1      25   31   10 o    3.163000      0.6136000       3.967000 0.8438000       2.358000      0.8912000       1.609000       1.227000
  1 1 1      25   31   11 o    1.731000      0.5643000       1.646000 0.7710000       1.816000      0.8243000     -0.1708000       1.129000
  1 1 1      25   31   12 o    4.822000      0.5306000       4.387000 0.8313000       5.257000      0.6596000     -0.8705000       1.061000
  1 1 1      25   31   13 o    5.146000      0.4859000       5.772000 0.6376000       4.521000      0.7333000       1.251000      0.9717000
  1 1 1      25   31   14 f    3.896000      0.6207000       3.492000 1.062000       4.299000      0.6433000     -0.8073000       1.241000
  1 1 1      25   31   15 o    2.924000      0.8037000       3.314000 1.133000       2.534000       1.140000      0.7800000       1.607000
  1 1 1      25   31   16 o    3.447000      0.8638000       2.864000 1.141000       4.030000       1.297000      -1.166000       1.728000
  1 1 1      25   31   17 o    2.606000       1.147000                  ?       ?   2.606000       1.147000                  ?              ?
  1 1 1      25   32    0 o    2.832000      0.6709000       3.196000 0.9790000       2.468000      0.9177000      0.7271000       1.342000
  1 1 1      25   32    1 o    2.560000      0.9268000                  ?       ?   2.560000      0.9268000                  ?              ?
  1 1 1      25   32    2 o    3.108000      0.6726000       3.013000 0.9801000       3.203000      0.9215000     -0.1895000       1.345000
  1 1 1      25   32    3 o    2.786000      0.6707000       3.341000 1.001000       2.232000      0.8932000       1.109000       1.341000
  1 1 1      25   32    4 o    3.003000      0.6776000       2.975000 0.9830000       3.032000      0.9327000     -0.5677000E-01   1.355000
  1 1 1      25   32    5 o    1.977000      0.5876000       2.540000 0.9570000       1.414000      0.6822000       1.126000       1.175000
  1 1 1      25   32    6 o    2.388000      0.6641000       2.642000 0.9751000       2.134000      0.9019000      0.5082000       1.328000
  1 1 1      25   32    7 o    2.048000      0.6180000       1.899000 0.8665000       2.196000      0.8815000     -0.2961000       1.236000
  1 1 1      25   32    8 o    2.526000      0.6292000       1.885000 0.8530000       3.168000      0.9251000      -1.283000       1.258000
  1 1 1      25   32    9 o    2.310000      0.6598000       2.413000 0.9265000       2.208000      0.9396000      0.2047000       1.320000
  1 1 1      25   32   10 o    3.512000      0.7915000       3.334000 1.195000       3.689000       1.038000     -0.3547000       1.583000
  1 1 1      25   32   11 o    2.018000      0.6515000       1.905000 0.9226000       2.130000      0.9202000     -0.2249000       1.303000
  1 1 1      25   32   12 o    3.653000      0.8133000       3.964000 1.212000       3.342000       1.085000      0.6219000       1.627000
  1 1 1      25   32   13 o    3.895000      0.8031000       4.363000 1.255000       3.428000       1.002000      0.9348000       1.606000
  1 1 1      25   32   14 o    3.108000      0.7520000       2.795000 1.173000       3.420000      0.9407000     -0.6257000       1.504000
  1 1 1      25   32   15 o    2.331000      0.6805000       2.075000 0.9270000       2.587000      0.9966000     -0.5122000       1.361000
  1 1 1      25   33    0 o    2.543000      0.6128000       1.700000 0.8079000       3.387000      0.9218000      -1.687000       1.226000
  1 1 1      25   33    1 o    1.509000      0.5123000       1.421000 0.6995000       1.597000      0.7486000     -0.1765000       1.025000
  1 1 1      25   33    2 o    2.394000      0.6694000       2.345000 0.9698000       2.444000      0.9230000     -0.9934000E-01   1.339000
  1 1 1      25   33    3 o    3.565000      0.6611000       4.229000 0.9383000       2.901000      0.9315000       1.328000       1.322000
  1 1 1      25   33    4 o    4.289000      0.5918000       3.277000 0.9721000       5.301000      0.6752000      -2.024000       1.184000
  1 1 1      25   33    5 o    2.187000      0.6544000       2.271000 0.9444000       2.102000      0.9062000      0.1689000       1.309000
  1 1 1      25   33    6 o    2.174000      0.6510000       2.239000 0.9562000       2.108000      0.8837000      0.1305000       1.302000
  1 1 1      25   33    7 o    2.662000      0.6698000       3.237000 1.023000       2.086000      0.8654000       1.150000       1.340000
  1 1 1      25   33    8 o    2.071000      0.6084000       1.530000 0.7366000       2.613000      0.9685000      -1.084000       1.217000
  1 1 1      25   33    9 o    2.616000      0.6788000       2.281000 0.9519000       2.950000      0.9680000     -0.6692000       1.358000
  1 1 1      25   33   10 f    2.644000      0.7012000       2.631000 1.012000       2.658000      0.9704000     -0.2756000E-01   1.402000
  1 1 1      25   33   11 o    2.299000      0.6621000       2.315000 0.9682000       2.282000      0.9035000      0.3347000E-01   1.324000
  1 1 1      25   33   12 o    2.459000      0.6442000       3.242000 1.017000       1.676000      0.7905000       1.566000       1.288000
  1 1 1      25   33   13 o    2.397000      0.6847000       2.840000 1.053000       1.953000      0.8757000      0.8871000       1.369000
  1 1 1      25   34    0 o    4.000000      0.6620000       4.823000 0.8895000       3.177000      0.9807000       1.645000       1.324000
  1 1 1      25   34    1 o    2.230000      0.6582000       2.081000 0.9017000       2.379000      0.9590000     -0.2987000       1.316000
  1 1 1      25   34    2 o    2.505000      0.6371000       1.690000 0.7992000       3.321000      0.9925000      -1.631000       1.274000
  1 1 1      25   34    3 o    2.825000      0.7136000       2.600000 1.025000       3.049000      0.9932000     -0.4493000       1.427000
  1 1 1      25   34    4 o    3.749000      0.6516000       3.095000 1.024000       4.404000      0.8055000      -1.309000       1.303000
  1 1 1      25   34    5 o    2.416000      0.6823000       2.230000 0.9544000       2.603000      0.9753000     -0.3731000       1.365000
  1 1 1      25   34    6 o    2.928000      0.6632000       3.859000 1.013000       1.997000      0.8561000       1.861000       1.326000
  1 1 1      25   34    7 o    2.535000      0.6782000       2.167000 0.9410000       2.904000      0.9768000     -0.7364000       1.356000
  1 1 1      25   34    8 o    2.702000      0.7134000       3.051000 1.049000       2.352000      0.9670000      0.6981000       1.427000
  1 1 1      25   34    9 o    2.439000      0.6833000       2.874000 1.053000       2.003000      0.8710000      0.8708000       1.367000
  1 1 1      25   34   10 o    2.618000      0.6719000       2.035000 0.9030000       3.200000      0.9951000      -1.165000       1.344000
  1 1 1      25   34   11 o    1.907000      0.9470000                  ?       ?   1.907000      0.9470000                  ?              ?
  1 1 1      25   35    0 o    3.225000      0.6825000       2.847000 1.056000       3.603000      0.8647000     -0.7552000       1.365000
  1 1 1      25   35    1 o    2.544000      0.7108000       2.704000 1.055000       2.384000      0.9524000      0.3205000       1.422000
  1 1 1      25   35    2 o    2.179000      0.6626000       1.981000 0.9076000       2.378000      0.9655000     -0.3975000       1.325000
  1 1 1      25   35    3 o    3.374000      0.6583000       2.546000 1.021000       4.202000      0.8312000      -1.655000       1.317000
  1 1 1      25   35    4 f    2.273000      0.6751000       2.264000 0.9712000       2.281000      0.9380000     -0.1739000E-01   1.350000
  1 1 1      25   35    5 o    2.260000      0.6659000       2.254000 0.9664000       2.266000      0.9162000     -0.1230000E-01   1.332000
  1 1 1      25   35    6 o    2.135000      0.6508000       2.202000 0.9471000       2.069000      0.8928000      0.1327000       1.302000
  1 1 1      25   35    7 o    2.311000      0.7504000       1.972000 0.8969000       2.651000       1.203000     -0.6787000       1.501000
  1 1 1      26  -12    0 o    4.798000      0.4759000       4.774000 0.6941000       4.822000      0.6514000     -0.4789000E-01  0.9519000
  1 1 1      26  -12    1 o    4.896000      0.4643000       4.947000 0.6537000       4.844000      0.6594000      0.1028000      0.9285000
  1 1 1      26  -12    2 o    3.405000      0.6537000       3.441000 1.055000       3.368000      0.7718000      0.7318000E-01   1.307000
  1 1 1      26  -12    3 o    3.036000      0.7796000       2.832000 1.062000       3.240000       1.142000     -0.4081000       1.559000
  1 1 1      26  -12    4 o    3.849000      0.5655000       4.753000 0.6712000       2.945000      0.9104000       1.808000       1.131000
  1 1 1      26  -12    5 o    4.004000      0.5465000       4.064000 0.7670000       3.944000      0.7788000      0.1199000       1.093000
  1 1 1      26  -12    6 o    2.451000      0.7149000       2.681000 1.065000       2.220000      0.9545000      0.4608000       1.430000
  1 1 1      26  -11    0 o    2.945000      0.6505000       3.024000 0.9356000       2.867000      0.9040000      0.1562000       1.301000
  1 1 1      26  -11    1 o    5.534000      0.6510000       6.425000 0.7617000       4.644000       1.056000       1.781000       1.302000
  1 1 1      26  -11    2 o    4.234000      0.5327000       4.055000 0.8268000       4.413000      0.6719000     -0.3573000       1.065000
  1 1 1      26  -11    3 o    3.178000      0.6379000       3.134000 0.9299000       3.222000      0.8734000     -0.8887000E-01   1.276000
  1 1 1      26  -11    4 o    5.591000      0.5513000       5.306000 0.8712000       5.877000      0.6758000     -0.5709000       1.103000
  1 1 1      26  -11    5 f    3.683000      0.7040000       3.048000 1.071000       4.319000      0.9136000      -1.271000       1.408000
  1 1 1      26  -11    6 o    3.762000      0.5576000       3.686000 0.8308000       3.839000      0.7438000     -0.1526000       1.115000
  1 1 1      26  -11    7 o    2.847000      0.6253000       2.902000 0.9051000       2.793000      0.8629000      0.1088000       1.251000
  1 1 1      26  -11    8 o    2.606000      0.6212000       3.001000 0.8931000       2.210000      0.8636000      0.7912000       1.242000
  1 1 1      26  -11    9 o    5.198000      0.4275000       6.066000 0.5126000       4.329000      0.6844000       1.737000      0.8551000
  1 1 1      26  -11   10 o    3.255000       1.084000                  ?       ?   3.255000       1.084000                  ?              ?
  1 1 1      26  -10    0 o    3.539000      0.7761000       2.675000 1.042000       4.403000       1.150000      -1.728000       1.552000
  1 1 1      26  -10    1 o    5.533000      0.4002000       5.562000 0.5794000       5.504000      0.5523000      0.5778000E-01  0.8005000
  1 1 1      26  -10    2 o    8.807000      0.3370000       7.908000 0.4491000       9.706000      0.5027000      -1.798000      0.6741000
  1 1 1      26  -10    3 o    5.669000      0.5223000       5.863000 0.8120000       5.474000      0.6571000      0.3886000       1.045000
  1 1 1      26  -10    4 o    2.431000      0.5884000       3.056000 0.8779000       1.806000      0.7837000       1.250000       1.177000
  1 1 1      26  -10    5 o    2.626000      0.6257000       2.854000 0.9114000       2.398000      0.8575000      0.4563000       1.251000
  1 1 1      26  -10    6 o    2.564000      0.6194000       2.555000 0.8920000       2.572000      0.8595000     -0.1725000E-01   1.239000
  1 1 1      26  -10    7 f    6.322000      0.3982000       6.275000 0.4942000       6.368000      0.6246000     -0.9240000E-01  0.7965000
  1 1 1      26  -10    8 o    5.042000      0.4088000       5.107000 0.5934000       4.978000      0.5625000      0.1297000      0.8177000
  1 1 1      26  -10    9 o    5.848000      0.3755000       6.210000 0.5181000       5.486000      0.5437000      0.7249000      0.7510000
  1 1 1      26  -10   10 o    3.394000      0.5912000       2.982000 0.8887000       3.807000      0.7800000     -0.8250000       1.182000
  1 1 1      26  -10   11 o    5.566000      0.3812000       5.547000 0.5382000       5.585000      0.5399000     -0.3745000E-01  0.7624000
  1 1 1      26  -10   12 o    1.734000      0.5446000       1.598000 0.7297000       1.869000      0.8085000     -0.2713000       1.089000
  1 1 1      26   -9    0 o    4.039000      0.6130000       4.249000 0.7963000       3.829000      0.9322000      0.4198000       1.226000
  1 1 1      26   -9    1 o    7.090000      0.4510000       6.957000 0.7134000       7.223000      0.5521000     -0.2662000      0.9021000
  1 1 1      26   -9    2 o    5.222000      0.3826000       4.504000 0.5559000       5.940000      0.5260000      -1.436000      0.7652000
  1 1 1      26   -9    3 o    3.468000      0.5396000       4.484000 0.6602000       2.453000      0.8538000       2.031000       1.079000
  1 1 1      26   -9    4 o    2.119000      0.5853000       1.966000 0.8216000       2.271000      0.8339000     -0.3057000       1.171000
  1 1 1      26   -9    5 o    1.766000      0.5430000       1.963000 0.8283000       1.570000      0.7023000      0.3935000       1.086000
  1 1 1      26   -9    6 o    5.201000      0.4008000       5.553000 0.5526000       4.850000      0.5808000      0.7026000      0.8017000
  1 1 1      26   -9    7 f    5.481000      0.3789000       5.899000 0.5122000       5.062000      0.5585000      0.8365000      0.7578000
  1 1 1      26   -9    8 f    2.708000      0.5928000       2.323000 0.8594000       3.092000      0.8169000     -0.7691000       1.186000
  1 1 1      26   -9    9 o    2.317000      0.5932000       2.362000 0.8576000       2.271000      0.8199000      0.9118000E-01   1.186000
  1 1 1      26   -9   10 o    4.503000      0.4383000       4.537000 0.6209000       4.469000      0.6189000      0.6775000E-01  0.8767000
  1 1 1      26   -9   11 f    2.946000      0.5651000       2.512000 0.8564000       3.380000      0.7375000     -0.8680000       1.130000
  1 1 1      26   -9   12 o    2.483000      0.5931000       2.632000 0.8504000       2.334000      0.8271000      0.2975000       1.186000
  1 1 1      26   -9   13 o    3.601000      0.5305000       3.666000 0.7574000       3.535000      0.7429000      0.1313000       1.061000
  1 1 1      26   -9   14 o    5.334000      0.3799000       5.878000 0.4935000       4.789000      0.5777000       1.089000      0.7598000
  1 1 1      26   -8    0 o    2.233000      0.6624000       2.198000 0.9671000       2.267000      0.9055000     -0.6862000E-01   1.325000
  1 1 1      26   -8    1 o    5.113000      0.3960000       5.143000 0.6169000       5.083000      0.4967000      0.5970000E-01  0.7920000
  1 1 1      26   -8    2 o    5.947000      0.3522000       5.685000 0.5619000       6.210000      0.4247000     -0.5251000      0.7043000
  1 1 1      26   -8    3 o    6.846000      0.3087000       7.322000 0.4613000       6.371000      0.4105000      0.9516000      0.6175000
  1 1 1      26   -8    4 o    7.434000      0.3361000       7.296000 0.4803000       7.572000      0.4703000     -0.2761000      0.6722000
  1 1 1      26   -8    5 o    12.88000      0.2728000       13.54000 0.3893000       12.22000      0.3822000       1.322000      0.5456000
  1 1 1      26   -8    6 o    7.724000      0.2976000       7.614000 0.4283000       7.835000      0.4132000     -0.2215000      0.5951000
  1 1 1      26   -8    7 o    7.453000      0.3025000       7.811000 0.4240000       7.094000      0.4316000      0.7171000      0.6050000
  1 1 1      26   -8    8 o    4.691000      0.4201000       4.757000 0.5850000       4.626000      0.6031000      0.1316000      0.8402000
  1 1 1      26   -8    9 o    3.492000      0.5282000       2.479000 0.8507000       4.505000      0.6262000      -2.026000       1.056000
  1 1 1      26   -8   10 o    2.926000      0.5303000       2.074000 0.8135000       3.778000      0.6806000      -1.704000       1.061000
  1 1 1      26   -8   11 o    3.138000      0.5517000       2.236000 0.9293000       4.039000      0.5948000      -1.804000       1.103000
  1 1 1      26   -8   12 o    3.327000      0.5258000       2.905000 0.8278000       3.748000      0.6487000     -0.8423000       1.052000
  1 1 1      26   -8   13 o    6.119000      0.3128000       6.386000 0.4419000       5.851000      0.4428000      0.5351000      0.6256000
  1 1 1      26   -8   14 o    3.497000      0.5247000       3.655000 0.7361000       3.339000      0.7479000      0.3161000       1.049000
  1 1 1      26   -8   15 o    4.002000      0.6568000       4.783000 0.8182000       3.221000       1.028000       1.562000       1.314000
  1 1 1      26   -8   16 o    2.488000      0.6730000       1.941000 0.8689000       3.036000       1.028000      -1.096000       1.346000
  1 1 1      26   -7    0 o    1.909000      0.5645000       1.885000 0.8247000       1.933000      0.7710000     -0.4845000E-01   1.129000
  1 1 1      26   -7    1 f    4.611000      0.4394000       4.589000 0.6969000       4.633000      0.5355000     -0.4383000E-01  0.8789000
  1 1 1      26   -7    2 o    3.602000      0.5383000       3.667000 0.8327000       3.537000      0.6823000      0.1299000       1.077000
  1 1 1      26   -7    3 o    2.973000      0.5864000       2.895000 0.9089000       3.051000      0.7412000     -0.1555000       1.173000
  1 1 1      26   -7    4 o    10.12000      0.2643000       9.997000 0.4087000       10.24000      0.3352000     -0.2463000      0.5286000
  1 1 1      26   -7    5 o    7.103000      0.2939000       7.462000 0.4518000       6.745000      0.3760000      0.7164000      0.5878000
  1 1 1      26   -7    6 o    8.075000      0.2774000       7.822000 0.4350000       8.328000      0.3445000     -0.5064000      0.5549000
  1 1 1      26   -7    7 o    7.657000      0.2721000       7.812000 0.4132000       7.502000      0.3542000      0.3097000      0.5443000
  1 1 1      26   -7    8 o    3.307000      0.5759000       3.230000 0.8010000       3.384000      0.8277000     -0.1539000       1.152000
  1 1 1      26   -7    9 o    6.020000      0.3317000       6.002000 0.4734000       6.038000      0.4648000     -0.3598000E-01  0.6635000
  1 1 1      26   -7   10 o    7.030000      0.2973000       7.117000 0.4157000       6.944000      0.4251000      0.1730000      0.5946000
  1 1 1      26   -7   11 o    2.323000      0.5800000       2.453000 0.8240000       2.193000      0.8165000      0.2605000       1.160000
  1 1 1      26   -7   12 o    2.815000      0.5578000       3.182000 0.7588000       2.449000      0.8177000      0.7330000       1.116000
  1 1 1      26   -7   13 o    3.524000      0.6473000       4.661000 0.8105000       2.386000       1.009000       2.275000       1.295000
  1 1 1      26   -7   14 o    2.125000      0.6282000       2.519000 0.9617000       1.731000      0.8083000      0.7880000       1.256000
  1 1 1      26   -7   15 o    2.425000      0.5357000       1.833000 0.7612000       3.018000      0.7539000      -1.185000       1.071000
  1 1 1      26   -7   16 o    4.356000      0.4103000       4.218000 0.6113000       4.494000      0.5474000     -0.2755000      0.8206000
  1 1 1      26   -7   17 o    4.794000      0.5083000       4.725000 0.7466000       4.863000      0.6901000     -0.1381000       1.017000
  1 1 1      26   -6    0 o    5.691000      0.3805000       5.402000 0.6068000       5.980000      0.4593000     -0.5785000      0.7610000
  1 1 1      26   -6    1 o    4.567000      0.4441000       4.713000 0.6960000       4.422000      0.5519000      0.2907000      0.8883000
  1 1 1      26   -6    2 o    5.703000      0.3617000       6.267000 0.5294000       5.139000      0.4931000       1.127000      0.7234000
  1 1 1      26   -6    3 f    5.988000      0.3346000       6.055000 0.5154000       5.920000      0.4269000      0.1343000      0.6692000
  1 1 1      26   -6    4 o    2.368000      0.5849000       2.384000 0.8818000       2.351000      0.7688000      0.3309000E-01   1.170000
  1 1 1      26   -6    5 o    10.44000      0.2615000       10.43000 0.3952000       10.44000      0.3424000     -0.1036000E-01  0.5229000
  1 1 1      26   -6    6 o    7.707000      0.2815000       7.684000 0.4311000       7.729000      0.3621000     -0.4459000E-01  0.5630000
  1 1 1      26   -6    7 o    4.179000      0.4314000       3.831000 0.7125000       4.526000      0.4867000     -0.6955000      0.8628000
  1 1 1      26   -6    8 o    5.864000      0.3051000       5.928000 0.4663000       5.800000      0.3935000      0.1283000      0.6102000
  1 1 1      26   -6    9 o    5.715000      0.3099000       5.946000 0.4686000       5.484000      0.4056000      0.4614000      0.6197000
  1 1 1      26   -6   10 o    7.678000      0.2629000       7.462000 0.4102000       7.895000      0.3290000     -0.4321000      0.5258000
  1 1 1      26   -6   11 o    3.653000      0.4424000       3.852000 0.6854000       3.453000      0.5596000      0.3999000      0.8848000
  1 1 1      26   -6   12 o    2.022000      0.8925000       2.022000 0.8925000                  ?              ?              ?              ?
  1 1 1      26   -6   13 o    3.064000      0.5367000       2.896000 0.7858000       3.231000      0.7312000     -0.3353000       1.073000
  1 1 1      26   -6   14 o    4.222000      0.4264000       3.620000 0.6811000       4.824000      0.5132000      -1.204000      0.8528000
  1 1 1      26   -6   15 o    4.901000      0.4590000       4.953000 0.6894000       4.849000      0.6061000      0.1045000      0.9179000
  1 1 1      26   -6   16 o    5.933000      0.3860000       5.958000 0.5636000       5.909000      0.5275000      0.4892000E-01  0.7720000
  1 1 1      26   -6   17 o    2.556000      0.5716000       2.583000 0.8051000       2.530000      0.8116000      0.5243000E-01   1.143000
  1 1 1      26   -6   18 o    1.476000      0.4692000       1.470000 0.6702000       1.481000      0.6568000     -0.1195000E-01  0.9384000
  1 1 1      26   -6   19 o    2.487000      0.9456000                  ?       ?   2.487000      0.9456000                  ?              ?
  1 1 1      26   -5    0 o    8.865000      0.2814000       8.452000 0.4368000       9.279000      0.3547000     -0.8265000      0.5627000
  1 1 1      26   -5    1 o    9.143000      0.2788000       8.936000 0.4299000       9.350000      0.3551000     -0.4141000      0.5576000
  1 1 1      26   -5    2 o    6.343000      0.3306000       6.237000 0.5089000       6.449000      0.4220000     -0.2117000      0.6611000
  1 1 1      26   -5    3 o    6.003000      0.3331000       6.048000 0.5239000       5.957000      0.4114000      0.9098000E-01  0.6661000
  1 1 1      26   -5    4 o    4.564000      0.4131000       4.607000 0.6467000       4.520000      0.5143000      0.8717000E-01  0.8263000
  1 1 1      26   -5    5 o    5.647000      0.3431000       5.698000 0.5391000       5.596000      0.4243000      0.1014000      0.6861000
  1 1 1      26   -5    6 o    2.673000      0.5540000       2.382000 0.8634000       2.965000      0.6945000     -0.5834000       1.108000
  1 1 1      26   -5    7 o    5.136000      0.3512000       5.270000 0.5442000       5.001000      0.4441000      0.2693000      0.7024000
  1 1 1      26   -5    8 o    8.889000      0.2584000       8.784000 0.4007000       8.995000      0.3263000     -0.2113000      0.5168000
  1 1 1      26   -5    9 o    3.155000      0.5043000       3.089000 0.7912000       3.220000      0.6254000     -0.1311000       1.009000
  1 1 1      26   -5   10 o    9.580000      0.3648000       8.850000 0.5607000       10.31000      0.4668000      -1.459000      0.7296000
  1 1 1      26   -5   11 o    2.424000      0.6509000       2.458000 0.9728000       2.390000      0.8651000      0.6828000E-01   1.302000
  1 1 1      26   -5   12 o    4.411000      0.3595000       4.655000 0.5498000       4.166000      0.4633000      0.4890000      0.7190000
  1 1 1      26   -5   13 o    5.552000      0.3015000       5.523000 0.4688000       5.581000      0.3792000     -0.5874000E-01  0.6030000
  1 1 1      26   -5   14 f    3.822000      0.5740000       3.085000 0.9614000       4.558000      0.6276000      -1.473000       1.148000
  1 1 1      26   -5   15 o    3.402000      0.5194000       3.312000 0.7146000       3.491000      0.7541000     -0.1789000       1.039000
  1 1 1      26   -5   16 o    4.234000      0.3540000       4.460000 0.5353000       4.009000      0.4633000      0.4508000      0.7080000
  1 1 1      26   -5   17 o    5.875000      0.2672000       5.925000 0.3937000       5.826000      0.3614000      0.9954000E-01  0.5344000
  1 1 1      26   -5   18 f    3.576000      0.4278000       3.772000 0.6160000       3.380000      0.5938000      0.3928000      0.8556000
  1 1 1      26   -5   19 o    2.458000      0.5397000       3.140000 0.7227000       1.777000      0.8017000       1.363000       1.079000
  1 1 1      26   -4    0 o    9.125000      0.2782000       8.832000 0.4273000       9.418000      0.3564000     -0.5858000      0.5564000
  1 1 1      26   -4    1 o    9.328000      0.2696000       9.461000 0.4103000       9.195000      0.3500000      0.2663000      0.5393000
  1 1 1      26   -4    2 o    6.664000      0.3174000       6.230000 0.5065000       7.099000      0.3826000     -0.8694000      0.6348000
  1 1 1      26   -4    3 o    2.721000      0.5705000       3.025000 0.8338000       2.418000      0.7789000      0.6061000       1.141000
  1 1 1      26   -4    4 o    4.917000      0.3691000       4.933000 0.5730000       4.901000      0.4653000      0.3202000E-01  0.7382000
  1 1 1      26   -4    5 o    7.790000      0.2819000       7.666000 0.4374000       7.915000      0.3556000     -0.2487000      0.5637000
  1 1 1      26   -4    6 o    4.413000      0.4204000       4.124000 0.6767000       4.703000      0.4991000     -0.5794000      0.8409000
  1 1 1      26   -4    7 o    5.731000      0.3312000       5.456000 0.5390000       6.007000      0.3850000     -0.5511000      0.6623000
  1 1 1      26   -4    8 o    4.572000      0.4115000       4.014000 0.6970000       5.130000      0.4375000      -1.116000      0.8229000
  1 1 1      26   -4    9 o    6.237000      0.4317000       5.661000 0.6943000       6.812000      0.5131000      -1.151000      0.8633000
  1 1 1      26   -4   10 o    3.414000      0.4905000       3.016000 0.8422000       3.812000      0.5032000     -0.7962000      0.9811000
  1 1 1      26   -4   11 o    5.457000      0.3136000       5.380000 0.5104000       5.533000      0.3644000     -0.1525000      0.6271000
  1 1 1      26   -4   12 o    5.663000      0.3949000       6.020000 0.6167000       5.305000      0.4934000      0.7146000      0.7898000
  1 1 1      26   -4   13 o    4.303000      0.4839000       4.768000 0.7018000       3.838000      0.6663000      0.9294000      0.9677000
  1 1 1      26   -4   14 o    3.646000      0.4165000       3.682000 0.6581000       3.610000      0.5106000      0.7210000E-01  0.8330000
  1 1 1      26   -4   15 o    3.684000      0.3990000       4.265000 0.5412000       3.103000      0.5865000       1.162000      0.7980000
  1 1 1      26   -4   16 o    1.345000      0.4355000       1.413000 0.6452000       1.277000      0.5850000      0.1361000      0.8709000
  1 1 1      26   -4   17 o    6.729000      0.2361000       6.892000 0.3523000       6.565000      0.3145000      0.3266000      0.4723000
  1 1 1      26   -4   18 o    3.055000      0.4619000       3.081000 0.6869000       3.030000      0.6177000      0.5179000E-01  0.9238000
  1 1 1      26   -4   19 o    6.652000      0.3136000       6.983000 0.3703000       6.321000      0.5063000      0.6625000      0.6273000
  1 1 1      26   -4   20 o    6.129000      0.2775000       6.101000 0.4129000       6.157000      0.3709000     -0.5538000E-01  0.5550000
  1 1 1      26   -3    0 f    5.251000      0.3774000       5.362000 0.5719000       5.140000      0.4924000      0.2215000      0.7547000
  1 1 1      26   -3    1 o    5.293000      0.3636000       5.060000 0.5894000       5.527000      0.4259000     -0.4672000      0.7271000
  1 1 1      26   -3    2 o    13.64000      0.2678000       13.97000 0.3988000       13.32000      0.3575000      0.6430000      0.5356000
  1 1 1      26   -3    3 o    8.357000      0.2715000       8.870000 0.4109000       7.845000      0.3551000       1.025000      0.5431000
  1 1 1      26   -3    4 o    7.558000      0.2735000       7.591000 0.4213000       7.526000      0.3488000      0.6455000E-01  0.5470000
  1 1 1      26   -3    5 o    1.868000      0.5257000       1.794000 0.7667000       1.942000      0.7195000     -0.1484000       1.051000
  1 1 1      26   -3    6 o    7.283000      0.2723000       6.975000 0.4319000       7.592000      0.3318000     -0.6167000      0.5446000
  1 1 1      26   -3    7 o    6.717000      0.3019000       6.319000 0.4898000       7.116000      0.3531000     -0.7974000      0.6038000
  1 1 1      26   -3    8 o    2.275000      0.6352000       2.240000 0.9181000       2.309000      0.8782000     -0.6959000E-01   1.270000
  1 1 1      26   -3    9 o    7.820000      0.2623000       7.687000 0.4135000       7.952000      0.3228000     -0.2651000      0.5246000
  1 1 1      26   -3   10 o    3.858000      0.4181000       4.406000 0.6037000       3.309000      0.5786000       1.097000      0.8362000
  1 1 1      26   -3   11 o    5.787000      0.4360000       5.683000 0.7380000       5.890000      0.4646000     -0.2072000      0.8721000
  1 1 1      26   -3   12 o    4.665000      0.3968000       4.237000 0.6147000       5.093000      0.5020000     -0.8560000      0.7936000
  1 1 1      26   -3   13 o    4.376000      0.3474000       5.002000 0.4827000       3.750000      0.4998000       1.252000      0.6948000
  1 1 1      26   -3   14 o    4.368000      0.3452000       3.985000 0.5827000       4.751000      0.3702000     -0.7660000      0.6904000
  1 1 1      26   -3   15 o    5.538000      0.2794000       5.489000 0.4424000       5.587000      0.3413000     -0.9808000E-01  0.5588000
  1 1 1      26   -3   16 o    6.056000      0.2518000       6.216000 0.3796000       5.896000      0.3309000      0.3207000      0.5036000
  1 1 1      26   -3   17 o    3.405000      0.3952000       3.485000 0.6034000       3.326000      0.5106000      0.1590000      0.7904000
  1 1 1      26   -3   18 o    1.946000      0.4973000       1.899000 0.7261000       1.994000      0.6797000     -0.9538000E-01  0.9946000
  1 1 1      26   -3   19 o    4.607000      0.3310000       4.835000 0.4638000       4.379000      0.4724000      0.4558000      0.6620000
  1 1 1      26   -3   20 o    5.516000      0.3477000       5.578000 0.5826000       5.455000      0.3798000      0.1227000      0.6954000
  1 1 1      26   -3   21 o    2.755000      0.6649000                  ?       ?   2.755000      0.6649000                  ?              ?
  1 1 1      26   -2    0 o    1.684000      0.5211000       1.559000 0.7236000       1.810000      0.7501000     -0.2508000       1.042000
  1 1 1      26   -2    1 o    7.949000      0.2756000       8.608000 0.4133000       7.290000      0.3646000       1.318000      0.5511000
  1 1 1      26   -2    2 o    11.20000      0.2622000       11.51000 0.3902000       10.90000      0.3504000      0.6124000      0.5244000
  1 1 1      26   -2    3 o    6.784000      0.2952000       6.892000 0.4543000       6.676000      0.3771000      0.2158000      0.5904000
  1 1 1      26   -2    4 o    3.452000      0.5073000       2.687000 0.8755000       4.216000      0.5128000      -1.529000       1.015000
  1 1 1      26   -2    5 o    3.514000      0.4659000       3.549000 0.7343000       3.479000      0.5736000      0.6943000E-01  0.9318000
  1 1 1      26   -2    6 o    6.513000      0.4244000       6.119000 0.6389000       6.906000      0.5588000     -0.7874000      0.8488000
  1 1 1      26   -2    7 o    4.879000      0.5039000       5.645000 0.6766000       4.114000      0.7469000       1.531000       1.008000
  1 1 1      26   -2    8 o    4.605000      0.3860000       4.130000 0.6459000       5.080000      0.4227000     -0.9501000      0.7720000
  1 1 1      26   -2    9 o    3.581000      0.4760000       3.128000 0.8118000       4.033000      0.4975000     -0.9045000      0.9521000
  1 1 1      26   -2   10 o    3.921000      0.6037000       3.753000 1.006000       4.088000      0.6670000     -0.3350000       1.207000
  1 1 1      26   -2   11 o    1.658000      0.4898000       2.100000 0.7943000       1.217000      0.5734000      0.8829000      0.9796000
  1 1 1      26   -2   12 f    2.478000      0.5401000       2.628000 0.8253000       2.329000      0.6969000      0.2982000       1.080000
  1 1 1      26   -2   13 o    4.314000      0.3523000       4.521000 0.5525000       4.107000      0.4371000      0.4149000      0.7045000
  1 1 1      26   -2   14 o    5.237000      0.2773000       5.378000 0.4348000       5.096000      0.3443000      0.2813000      0.5546000
  1 1 1      26   -2   15 o    5.760000      0.2694000       5.595000 0.4253000       5.925000      0.3309000     -0.3297000      0.5389000
  1 1 1      26   -2   16 o    2.084000      0.4519000       1.509000 0.6701000       2.659000      0.6064000      -1.150000      0.9038000
  1 1 1      26   -2   17 o    5.278000      0.2634000       5.502000 0.3957000       5.053000      0.3479000      0.4494000      0.5269000
  1 1 1      26   -2   18 o    2.353000      0.4703000       1.910000 0.7314000       2.797000      0.5913000     -0.8865000      0.9405000
  1 1 1      26   -2   19 o    3.533000      0.3767000       3.652000 0.5576000       3.413000      0.5068000      0.2389000      0.7534000
  1 1 1      26   -2   20 o    3.586000      0.3982000       3.554000 0.5997000       3.619000      0.5242000     -0.6502000E-01  0.7965000
  1 1 1      26   -2   21 o    1.260000      0.4147000       1.393000 0.6296000       1.127000      0.5399000      0.2660000      0.8294000
  1 1 1      26   -2   22 o    3.316000      0.4225000       3.119000 0.6588000       3.514000      0.5291000     -0.3953000      0.8450000
  1 1 1      26   -1    0 o    5.883000      0.3394000       6.298000 0.5139000       5.467000      0.4435000      0.8311000      0.6788000
  1 1 1      26   -1    1 o    4.014000      0.4688000       3.660000 0.7745000       4.368000      0.5286000     -0.7087000      0.9377000
  1 1 1      26   -1    2 o    4.795000      0.3804000       5.187000 0.5540000       4.404000      0.5214000      0.7835000      0.7608000
  1 1 1      26   -1    3 o    7.072000      0.2930000       7.311000 0.4389000       6.833000      0.3884000      0.4789000      0.5861000
  1 1 1      26   -1    4 o    9.749000      0.2576000       9.492000 0.3899000       10.01000      0.3366000     -0.5141000      0.5151000
  1 1 1      26   -1    5 o    10.83000      0.3465000       11.07000 0.5081000       10.59000      0.4713000      0.4785000      0.6931000
  1 1 1      26   -1    6 o    10.61000      0.3487000       10.62000 0.5060000       10.60000      0.4800000      0.2235000E-01  0.6975000
  1 1 1      26   -1    7 o    9.149000      0.2522000       9.154000 0.3870000       9.143000      0.3236000      0.1151000E-01  0.5044000
  1 1 1      26   -1    8 o    5.698000      0.3193000       5.471000 0.5177000       5.924000      0.3739000     -0.4529000      0.6386000
  1 1 1      26   -1    9 o    8.089000      0.3573000       8.365000 0.5648000       7.813000      0.4377000      0.5521000      0.7146000
  1 1 1      26   -1   10 f    10.62000      0.2360000       10.59000 0.3511000       10.66000      0.3154000     -0.7570000E-01  0.4719000
  1 1 1      26   -1   11 o    2.366000      0.5203000       2.031000 0.7887000       2.700000      0.6787000     -0.6693000       1.041000
  1 1 1      26   -1   12 o    4.341000      0.3707000       4.021000 0.6139000       4.661000      0.4158000     -0.6404000      0.7415000
  1 1 1      26   -1   13 o    3.011000      0.4824000       3.316000 0.7159000       2.706000      0.6469000      0.6104000      0.9649000
  1 1 1      26   -1   14 o    2.431000      0.4880000       2.065000 0.7736000       2.796000      0.5953000     -0.7308000      0.9761000
  1 1 1      26   -1   15 o    6.361000      0.2439000       6.541000 0.3813000       6.182000      0.3043000      0.3589000      0.4878000
  1 1 1      26   -1   16 o    2.665000      0.4560000       2.467000 0.7318000       2.864000      0.5443000     -0.3974000      0.9120000
  1 1 1      26   -1   17 o    6.144000      0.2438000       5.698000 0.3861000       6.591000      0.2978000     -0.8935000      0.4876000
  1 1 1      26   -1   18 o    4.595000      0.3791000       4.253000 0.6658000       4.937000      0.3627000     -0.6844000      0.7582000
  1 1 1      26   -1   19 o    3.588000      0.3619000       4.046000 0.4711000       3.129000      0.5494000      0.9168000      0.7237000
  1 1 1      26   -1   20 f    5.320000      0.2564000       5.412000 0.3661000       5.228000      0.3590000      0.1847000      0.5128000
  1 1 1      26   -1   21 o    2.418000      0.4883000       2.241000 0.7125000       2.596000      0.6679000     -0.3552000      0.9766000
  1 1 1      26   -1   22 f    2.053000      0.5531000       1.908000 0.8094000       2.198000      0.7541000     -0.2905000       1.106000
  1 1 1      26   -1   23 o    1.634000      0.4571000       1.444000 0.6307000       1.823000      0.6617000     -0.3792000      0.9141000
  1 1 1      26    0    0 o    14.26000      0.3281000       14.18000 0.5449000       14.33000      0.3656000     -0.1457000      0.6562000
  1 1 1      26    0    1 o    13.63000      0.2630000       13.93000 0.3878000       13.33000      0.3553000      0.5963000      0.5260000
  1 1 1      26    0    2 o    5.681000      0.3367000       5.591000 0.5301000       5.770000      0.4153000     -0.1789000      0.6734000
  1 1 1      26    0    3 o    3.260000      0.5124000       3.223000 0.7829000       3.297000      0.6613000     -0.7363000E-01   1.025000
  1 1 1      26    0    4 o    6.661000      0.4027000       7.242000 0.5668000       6.080000      0.5723000       1.162000      0.8055000
  1 1 1      26    0    5 o    6.338000      0.3953000       6.766000 0.5652000       5.911000      0.5526000      0.8556000      0.7905000
  1 1 1      26    0    6 o    1.693000      0.5130000       2.001000 0.8126000       1.385000      0.6264000      0.6157000       1.026000
  1 1 1      26    0    7 o    11.81000      0.2495000       11.71000 0.3748000       11.91000      0.3293000     -0.1943000      0.4989000
  1 1 1      26    0    8 o    12.46000      0.3486000       12.45000 0.5354000       12.47000      0.4466000     -0.1955000E-01  0.6972000
  1 1 1      26    0    9 o    2.632000      0.5260000       2.909000 0.7715000       2.355000      0.7150000      0.5534000       1.052000
  1 1 1      26    0   10 o    7.281000      0.2550000       7.474000 0.3866000       7.087000      0.3327000      0.3874000      0.5100000
  1 1 1      26    0   11 o    2.000000      0.5103000       1.839000 0.7577000       2.161000      0.6837000     -0.3223000       1.021000
  1 1 1      26    0   12 o    5.786000      0.2847000       5.598000 0.4499000       5.973000      0.3488000     -0.3746000      0.5693000
  1 1 1      26    0   13 o    5.041000      0.3125000       5.643000 0.4584000       4.439000      0.4248000       1.205000      0.6250000
  1 1 1      26    0   14 o    1.953000      0.4957000       1.657000 0.7069000       2.248000      0.6950000     -0.5914000      0.9914000
  1 1 1      26    0   15 o    4.971000      0.2921000       5.199000 0.4393000       4.743000      0.3853000      0.4568000      0.5843000
  1 1 1      26    0   16 o    5.259000      0.2735000       5.588000 0.4133000       4.930000      0.3585000      0.6578000      0.5471000
  1 1 1      26    0   17 o    2.384000      0.4829000       2.387000 0.7426000       2.381000      0.6175000      0.6853000E-02  0.9658000
  1 1 1      26    0   18 o    1.258000      0.4088000       1.427000 0.6376000       1.089000      0.5119000      0.3388000      0.8177000
  1 1 1      26    0   19 o    4.951000      0.2703000       4.648000 0.4204000       5.255000      0.3399000     -0.6070000      0.5406000
  1 1 1      26    0   20 o    7.444000      0.3211000       7.444000 0.3211000                  ?              ?              ?              ?
  1 1 1      26    0   21 o    2.585000      0.5796000       2.295000 0.8807000       2.875000      0.7537000     -0.5802000       1.159000
  1 1 1      26    0   22 o    3.566000      0.4597000                  ?       ?   3.566000      0.4597000                  ?              ?
  1 1 1      26    0   23 o    1.964000      0.4945000       2.038000 0.7186000       1.889000      0.6795000      0.1492000      0.9890000
  1 1 1      26    0   24 o    2.747000      0.6823000       2.153000 0.8878000       3.341000       1.036000      -1.189000       1.365000
  1 1 1      26    1    0 o    15.50000      0.2688000       15.55000 0.3826000       15.44000      0.3777000      0.1152000      0.5376000
  1 1 1      26    1    1 o    2.575000      0.5309000       2.495000 0.7603000       2.655000      0.7412000     -0.1603000       1.062000
  1 1 1      26    1    2 o    13.52000      0.2519000       13.48000 0.3571000       13.56000      0.3553000     -0.8526000E-01  0.5038000
  1 1 1      26    1    3 o    7.612000      0.2509000       7.863000 0.3535000       7.361000      0.3562000      0.5017000      0.5018000
  1 1 1      26    1    4 f    6.261000      0.4182000       6.275000 0.6200000       6.246000      0.5614000      0.2881000E-01  0.8364000
  1 1 1      26    1    5 o    5.819000      0.3078000       5.537000 0.4876000       6.102000      0.3758000     -0.5653000      0.6156000
  1 1 1      26    1    6 o    7.878000      0.2638000       7.916000 0.4059000       7.840000      0.3371000      0.7616000E-01  0.5276000
  1 1 1      26    1    7 o    11.30000      0.3524000       11.02000 0.5435000       11.59000      0.4487000     -0.5704000      0.7048000
  1 1 1      26    1    8 o    11.81000      0.2439000       12.28000 0.3647000       11.34000      0.3240000      0.9354000      0.4878000
  1 1 1      26    1    9 o    12.41000      0.2440000       12.33000 0.3620000       12.49000      0.3273000     -0.1560000      0.4880000
  1 1 1      26    1   10 o    9.033000      0.2469000       8.489000 0.3817000       9.577000      0.3133000      -1.088000      0.4938000
  1 1 1      26    1   11 o    4.722000      0.3441000       4.712000 0.5374000       4.731000      0.4299000     -0.1977000E-01  0.6882000
  1 1 1      26    1   12 o    6.393000      0.2721000       6.529000 0.4174000       6.258000      0.3492000      0.2709000      0.5442000
  1 1 1      26    1   13 o    3.152000      0.4777000       2.904000 0.7879000       3.399000      0.5403000     -0.4953000      0.9554000
  1 1 1      26    1   14 o    6.451000      0.2593000       6.154000 0.4090000       6.749000      0.3188000     -0.5945000      0.5185000
  1 1 1      26    1   15 o    10.27000      0.2242000       10.14000 0.3329000       10.40000      0.3005000     -0.2575000      0.4485000
  1 1 1      26    1   16 o    5.806000      0.2667000       5.768000 0.4119000       5.845000      0.3390000     -0.7650000E-01  0.5335000
  1 1 1      26    1   17 o    4.114000      0.3379000       4.503000 0.4969000       3.725000      0.4580000      0.7783000      0.6758000
  1 1 1      26    1   18 o    3.977000      0.3306000       4.157000 0.5050000       3.796000      0.4268000      0.3614000      0.6612000
  1 1 1      26    1   19 o    8.548000      0.2047000       8.720000 0.3038000       8.376000      0.2745000      0.3444000      0.4094000
  1 1 1      26    1   20 o    2.499000      0.5727000       2.399000 0.8991000       2.600000      0.7096000     -0.2012000       1.145000
  1 1 1      26    1   21 o    3.537000      0.3597000       2.996000 0.6069000       4.077000      0.3862000      -1.082000      0.7194000
  1 1 1      26    1   22 o    2.078000      0.7653000                  ?       ?   2.078000      0.7653000                  ?              ?
  1 1 1      26    1   23 o    6.631000      0.3075000       6.775000 0.4324000       6.488000      0.4374000      0.2876000      0.6150000
  1 1 1      26    1   24 o    4.714000      0.2617000       4.675000 0.3804000       4.753000      0.3594000     -0.7797000E-01  0.5233000
  1 1 1      26    2    0 o    7.007000      0.2679000       6.748000 0.3811000       7.266000      0.3765000     -0.5175000      0.5357000
  1 1 1      26    2    1 o    10.51000      0.2418000       10.65000 0.3393000       10.37000      0.3446000      0.2775000      0.4836000
  1 1 1      26    2    2 o    6.561000      0.2736000       6.595000 0.3775000       6.526000      0.3962000      0.6885000E-01  0.5472000
  1 1 1      26    2    3 o    7.622000      0.3734000       7.495000 0.5478000       7.749000      0.5077000     -0.2540000      0.7469000
  1 1 1      26    2    4 o    11.28000      0.2386000       11.30000 0.3385000       11.25000      0.3363000      0.5435000E-01  0.4772000
  1 1 1      26    2    5 o    8.503000      0.2338000       8.349000 0.3320000       8.657000      0.3293000     -0.3080000      0.4676000
  1 1 1      26    2    6 o    11.59000      0.3218000       11.23000 0.4449000       11.96000      0.4650000     -0.7325000      0.6436000
  1 1 1      26    2    7 o    4.533000      0.3321000       4.372000 0.4649000       4.694000      0.4744000     -0.3216000      0.6642000
  1 1 1      26    2    8 o    7.525000      0.3145000       7.956000 0.5368000       7.094000      0.3280000      0.8612000      0.6291000
  1 1 1      26    2    9 o    10.46000      0.2392000       10.64000 0.3574000       10.27000      0.3179000      0.3725000      0.4784000
  1 1 1      26    2   10 o    1.927000      0.5154000       1.727000 0.7385000       2.126000      0.7192000     -0.3990000       1.031000
  1 1 1      26    2   11 o    11.29000      0.2366000       11.61000 0.3595000       10.96000      0.3076000      0.6460000      0.4732000
  1 1 1      26    2   12 f    4.497000      0.3806000       4.108000 0.6362000       4.886000      0.4180000     -0.7777000      0.7612000
  1 1 1      26    2   13 o    4.953000      0.3237000       4.638000 0.5320000       5.269000      0.3688000     -0.6303000      0.6473000
  1 1 1      26    2   14 o    7.321000      0.2439000       7.390000 0.3743000       7.252000      0.3127000      0.1375000      0.4877000
  1 1 1      26    2   15 o    10.21000      0.2253000       10.24000 0.3383000       10.17000      0.2977000      0.6206000E-01  0.4506000
  1 1 1      26    2   16 o    3.212000      0.4378000       3.320000 0.6790000       3.104000      0.5528000      0.2162000      0.8755000
  1 1 1      26    2   17 o    7.893000      0.2311000       7.456000 0.3629000       8.330000      0.2861000     -0.8739000      0.4621000
  1 1 1      26    2   18 o    3.002000      0.4464000       2.438000 0.7658000       3.567000      0.4589000      -1.130000      0.8928000
  1 1 1      26    2   19 o    4.019000      0.4940000       4.437000 0.6886000       3.602000      0.7086000      0.8344000      0.9881000
  1 1 1      26    2   20 o    6.621000      0.2129000       6.574000 0.3277000       6.667000      0.2718000     -0.9335000E-01  0.4257000
  1 1 1      26    2   21 o    7.751000      0.1911000       7.599000 0.2830000       7.903000      0.2570000     -0.3040000      0.3823000
  1 1 1      26    2   23 f    5.290000      0.3136000       5.242000 0.4721000       5.338000      0.4129000     -0.9569000E-01  0.6271000
  1 1 1      26    2   24 o    3.574000      0.3092000       3.866000 0.4225000       3.281000      0.4515000      0.5851000      0.6183000
  1 1 1      26    2   25 o    1.967000      0.4284000       2.529000 0.6144000       1.406000      0.5971000       1.123000      0.8567000
  1 1 1      26    3    0 o    2.690000      0.4982000       1.908000 0.7455000       3.472000      0.6611000      -1.563000      0.9964000
  1 1 1      26    3    1 o    7.032000      0.2684000       6.747000 0.3881000       7.317000      0.3708000     -0.5700000      0.5368000
  1 1 1      26    3    2 o    4.317000      0.5660000       4.279000 0.8698000       4.355000      0.7245000     -0.7619000E-01   1.132000
  1 1 1      26    3    3 o    2.249000      0.6050000       1.580000 0.7522000       2.917000      0.9478000      -1.337000       1.210000
  1 1 1      26    3    4 o    8.549000      0.2452000       8.320000 0.3571000       8.779000      0.3360000     -0.4585000      0.4904000
  1 1 1      26    3    5 f    4.745000      0.4358000       4.327000 0.6065000       5.162000      0.6260000     -0.8351000      0.8716000
  1 1 1      26    3    6 o    7.415000      0.3236000       7.411000 0.4288000       7.420000      0.4847000     -0.9370000E-02  0.6471000
  1 1 1      26    3    7 o    1.932000      0.4950000       1.873000 0.6870000       1.991000      0.7128000     -0.1171000      0.9900000
  1 1 1      26    3    8 o    6.822000      0.2452000       6.669000 0.3436000       6.974000      0.3498000     -0.3054000      0.4903000
  1 1 1      26    3    9 o    3.757000      0.3818000       4.273000 0.4594000       3.241000      0.6101000       1.032000      0.7637000
  1 1 1      26    3   10 o    8.000000      0.2307000       8.257000 0.3214000       7.743000      0.3311000      0.5136000      0.4614000
  1 1 1      26    3   11 o    10.25000      0.2916000       10.54000 0.4960000       9.959000      0.3065000      0.5841000      0.5831000
  1 1 1      26    3   12 o    4.813000      0.3468000       4.379000 0.5699000       5.248000      0.3955000     -0.8695000      0.6937000
  1 1 1      26    3   13 o    5.055000      0.3251000       5.029000 0.5173000       5.081000      0.3940000     -0.5168000E-01  0.6503000
  1 1 1      26    3   14 o    3.421000      0.4480000       2.769000 0.7833000       4.073000      0.4351000      -1.305000      0.8960000
  1 1 1      26    3   15 o    2.122000      0.5030000       1.882000 0.7641000       2.363000      0.6544000     -0.4811000       1.006000
  1 1 1      26    3   16 o    3.472000      0.4281000       3.332000 0.6875000       3.612000      0.5102000     -0.2798000      0.8562000
  1 1 1      26    3   17 o    4.750000      0.3168000       4.383000 0.5225000       5.118000      0.3584000     -0.7358000      0.6336000
  1 1 1      26    3   18 o    4.491000      0.4413000       4.408000 0.7011000       4.574000      0.5360000     -0.1665000      0.8826000
  1 1 1      26    3   19 o    1.436000      0.4437000       1.542000 0.6681000       1.331000      0.5840000      0.2106000      0.8874000
  1 1 1      26    3   20 o    1.409000      0.4268000       1.397000 0.6207000       1.421000      0.5859000     -0.2409000E-01  0.8535000
  1 1 1      26    3   21 o    2.291000      0.5082000       2.186000 0.7762000       2.397000      0.6560000     -0.2113000       1.016000
  1 1 1      26    3   22 o    5.495000      0.2814000       5.761000 0.3208000       5.229000      0.4625000      0.5319000      0.5628000
  1 1 1      26    3   23 o    5.586000      0.2507000       5.682000 0.4182000       5.490000      0.2765000      0.1920000      0.5013000
  1 1 1      26    3   24 o    2.448000      0.3994000       2.713000 0.5486000       2.183000      0.5806000      0.5295000      0.7988000
  1 1 1      26    3   25 o    3.581000      0.2642000       3.590000 0.3649000       3.572000      0.3820000      0.1769000E-01  0.5283000
  1 1 1      26    4    0 o    7.919000      0.2637000       8.134000 0.3765000       7.703000      0.3692000      0.4309000      0.5273000
  1 1 1      26    4    1 o    9.120000      0.2473000       9.547000 0.3479000       8.694000      0.3515000      0.8534000      0.4946000
  1 1 1      26    4    2 o    11.30000      0.3518000       11.35000 0.5123000       11.24000      0.4824000      0.1093000      0.7037000
  1 1 1      26    4    3 o    4.147000      0.3877000       4.776000 0.4852000       3.518000      0.6049000       1.258000      0.7754000
  1 1 1      26    4    4 o    7.799000      0.2486000       7.677000 0.3574000       7.922000      0.3456000     -0.2444000      0.4971000
  1 1 1      26    4    5 o    7.718000      0.3260000       7.192000 0.4478000       8.244000      0.4738000      -1.052000      0.6520000
  1 1 1      26    4    6 o    8.415000      0.2371000       8.448000 0.3322000       8.382000      0.3383000      0.6646000E-01  0.4741000
  1 1 1      26    4    7 o    6.740000      0.2585000       6.725000 0.3557000       6.756000      0.3751000     -0.3087000E-01  0.5169000
  1 1 1      26    4    8 o    8.950000      0.2322000       9.059000 0.3243000       8.841000      0.3323000      0.2174000      0.4643000
  1 1 1      26    4    9 o    4.620000      0.3153000       4.391000 0.4457000       4.849000      0.4462000     -0.4571000      0.6307000
  1 1 1      26    4   10 o    10.95000      0.2254000       10.63000 0.3154000       11.27000      0.3220000     -0.6412000      0.4507000
  1 1 1      26    4   11 o    6.259000      0.2413000       6.424000 0.3278000       6.095000      0.3542000      0.3285000      0.4826000
  1 1 1      26    4   12 o    6.953000      0.2277000       6.874000 0.3183000       7.032000      0.3258000     -0.1579000      0.4555000
  1 1 1      26    4   13 o    4.991000      0.2710000       5.002000 0.3710000       4.980000      0.3951000      0.2148000E-01  0.5420000
  1 1 1      26    4   14 o    5.258000      0.2640000       5.240000 0.3767000       5.277000      0.3700000     -0.3707000E-01  0.5281000
  1 1 1      26    4   15 o    5.079000      0.3055000       4.972000 0.4901000       5.186000      0.3647000     -0.2148000      0.6109000
  1 1 1      26    4   16 o    4.263000      0.3860000       3.416000 0.6884000       5.110000      0.3493000      -1.694000      0.7719000
  1 1 1      26    4   17 o    2.327000      0.5954000       2.104000 0.8485000       2.550000      0.8357000     -0.4462000       1.191000
  1 1 1      26    4   18 o    3.240000      0.5757000       3.438000 0.8427000       3.042000      0.7847000      0.3953000       1.151000
  1 1 1      26    4   19 o    9.919000      0.2106000       9.875000 0.3169000       9.963000      0.2776000     -0.8808000E-01  0.4213000
  1 1 1      26    4   20 o    4.161000      0.4198000       3.601000 0.7088000       4.721000      0.4501000      -1.120000      0.8397000
  1 1 1      26    4   21 o    3.910000      0.4646000       3.910000 0.4646000                  ?              ?              ?              ?
  1 1 1      26    4   22 o    7.007000      0.1928000       6.666000 0.2933000       7.347000      0.2504000     -0.6818000      0.3856000
  1 1 1      26    4   23 o    3.420000      0.3537000                  ?       ?   3.420000      0.3537000                  ?              ?
  1 1 1      26    4   24 o    6.854000      0.1670000       7.055000 0.2462000       6.654000      0.2256000      0.4010000      0.3339000
  1 1 1      26    4   25 o    3.754000      0.2236000       3.874000 0.3122000       3.634000      0.3200000      0.2396000      0.4471000
  1 1 1      26    5    0 o    7.509000      0.2670000       7.531000 0.3838000       7.487000      0.3712000      0.4386000E-01  0.5340000
  1 1 1      26    5    1 f    7.136000      0.4035000       7.721000 0.5449000       6.552000      0.5953000       1.169000      0.8071000
  1 1 1      26    5    2 o    7.533000      0.3848000       7.315000 0.5721000       7.751000      0.5148000     -0.4362000      0.7696000
  1 1 1      26    5    3 o    4.086000      0.3956000       4.140000 0.5579000       4.033000      0.5611000      0.1078000      0.7912000
  1 1 1      26    5    4 o    2.678000      0.6242000       2.906000 0.8730000       2.450000      0.8925000      0.4551000       1.248000
  1 1 1      26    5    5 o    4.122000      0.5137000       3.618000 0.7808000       4.626000      0.6677000      -1.007000       1.027000
  1 1 1      26    5    6 o    8.048000      0.2479000       7.625000 0.3565000       8.471000      0.3446000     -0.8458000      0.4958000
  1 1 1      26    5    7 o    9.455000      0.2367000       9.281000 0.3328000       9.629000      0.3367000     -0.3481000      0.4734000
  1 1 1      26    5    8 o    2.996000      0.4637000       2.405000 0.7216000       3.587000      0.5825000      -1.182000      0.9274000
  1 1 1      26    5    9 o    6.211000      0.2607000       6.243000 0.3583000       6.180000      0.3789000      0.6378000E-01  0.5215000
  1 1 1      26    5   10 o    8.150000      0.2304000       8.159000 0.3233000       8.141000      0.3282000      0.1847000E-01  0.4607000
  1 1 1      26    5   11 o    7.319000      0.2305000       7.394000 0.3195000       7.245000      0.3323000      0.1496000      0.4610000
  1 1 1      26    5   12 o    4.252000      0.3260000       3.928000 0.4788000       4.576000      0.4426000     -0.6472000      0.6520000
  1 1 1      26    5   13 o    4.151000      0.3203000       4.197000 0.4369000       4.106000      0.4684000      0.9068000E-01  0.6405000
  1 1 1      26    5   14 o    4.103000      0.3196000       3.629000 0.4705000       4.576000      0.4328000     -0.9470000      0.6393000
  1 1 1      26    5   15 o    4.374000      0.2954000       4.382000 0.4060000       4.366000      0.4292000      0.1625000E-01  0.5908000
  1 1 1      26    5   16 o    2.832000      0.4162000       2.788000 0.5783000       2.876000      0.5985000     -0.8819000E-01  0.8323000
  1 1 1      26    5   18 o    4.299000      0.3439000       4.148000 0.5599000       4.450000      0.3993000     -0.3014000      0.6877000
  1 1 1      26    5   19 o    10.42000      0.2159000       10.48000 0.3279000       10.37000      0.2810000      0.1043000      0.4318000
  1 1 1      26    5   20 o    2.185000      0.5305000       1.976000 0.8089000       2.394000      0.6866000     -0.4179000       1.061000
  1 1 1      26    5   21 o    6.883000      0.3135000       6.883000 0.3135000                  ?              ?              ?              ?
  1 1 1      26    5   22 o    2.973000      0.3690000       2.450000 0.6332000       3.497000      0.3792000      -1.046000      0.7381000
  1 1 1      26    5   23 o    6.507000      0.2347000                  ?       ?   6.507000      0.2347000                  ?              ?
  1 1 1      26    5   24 o    7.757000      0.1620000       7.712000 0.2449000       7.802000      0.2122000     -0.9045000E-01  0.3241000
  1 1 1      26    5   25 o    2.772000      0.2639000       3.141000 0.3411000       2.402000      0.4029000      0.7392000      0.5279000
  1 1 1      26    6    0 o    7.237000      0.2796000       6.907000 0.4144000       7.567000      0.3753000     -0.6599000      0.5591000
  1 1 1      26    6    1 o    2.265000      0.6195000       2.777000 0.9488000       1.753000      0.7967000       1.025000       1.239000
  1 1 1      26    6    2 f    11.41000      0.3121000       11.67000 0.5153000       11.15000      0.3521000      0.5217000      0.6241000
  1 1 1      26    6    3 o    3.733000      0.4458000       3.202000 0.7165000       4.265000      0.5306000      -1.063000      0.8916000
  1 1 1      26    6    4 o    6.848000      0.3695000       6.706000 0.5069000       6.991000      0.5378000     -0.2846000      0.7390000
  1 1 1      26    6    5 o    4.231000      0.3957000       3.631000 0.6271000       4.831000      0.4827000      -1.200000      0.7914000
  1 1 1      26    6    6 o    10.11000      0.2393000       9.892000 0.3394000       10.33000      0.3374000     -0.4374000      0.4786000
  1 1 1      26    6    7 o    13.75000      0.2471000       13.44000 0.3457000       14.06000      0.3530000     -0.6117000      0.4941000
  1 1 1      26    6    8 o    9.044000      0.2307000       8.971000 0.3248000       9.117000      0.3277000     -0.1452000      0.4614000
  1 1 1      26    6    9 o    8.676000      0.2313000       8.525000 0.3262000       8.827000      0.3280000     -0.3018000      0.4625000
  1 1 1      26    6   10 o    8.921000      0.2279000       8.973000 0.3167000       8.869000      0.3279000      0.1038000      0.4558000
  1 1 1      26    6   11 o    7.355000      0.2385000       7.141000 0.3405000       7.569000      0.3339000     -0.4274000      0.4769000
  1 1 1      26    6   12 o    1.585000      0.4738000       1.497000 0.6488000       1.673000      0.6906000     -0.1765000      0.9476000
  1 1 1      26    6   13 o    4.006000      0.3487000       3.642000 0.5187000       4.371000      0.4661000     -0.7292000      0.6974000
  1 1 1      26    6   14 o    3.111000      0.4334000       2.555000 0.6829000       3.668000      0.5337000      -1.112000      0.8667000
  1 1 1      26    6   15 f    4.541000      0.2915000       4.489000 0.4100000       4.593000      0.4145000     -0.1039000      0.5830000
  1 1 1      26    6   16 o    3.483000      0.3510000       3.350000 0.5098000       3.617000      0.4825000     -0.2666000      0.7020000
  1 1 1      26    6   17 f    6.941000      0.3249000       6.922000 0.4898000       6.960000      0.4268000     -0.3802000E-01  0.6497000
  1 1 1      26    6   18 o    5.748000      0.2269000       5.868000 0.3259000       5.628000      0.3156000      0.2405000      0.4537000
  1 1 1      26    6   19 o    5.475000      0.2861000       5.435000 0.3669000       5.515000      0.4392000     -0.8053000E-01  0.5723000
  1 1 1      26    6   20 o    3.281000      0.4091000       3.184000 0.7147000       3.379000      0.3983000     -0.1952000      0.8182000
  1 1 1      26    6   21 o    4.844000      0.3299000       5.513000 0.5589000       4.175000      0.3506000       1.339000      0.6598000
  1 1 1      26    6   22 o    4.816000      0.2317000       5.081000 0.3609000       4.551000      0.2906000      0.5299000      0.4633000
  1 1 1      26    6   23 o    6.173000      0.1853000       5.742000 0.2946000       6.604000      0.2248000     -0.8624000      0.3705000
  1 1 1      26    6   24 o    5.932000      0.1647000       5.866000 0.2549000       5.997000      0.2085000     -0.1302000      0.3293000
  1 1 1      26    6   25 o    6.260000      0.1469000       6.165000 0.2243000       6.355000      0.1899000     -0.1906000      0.2939000
  1 1 1      26    7    0 o    14.64000      0.2633000       14.70000 0.3760000       14.59000      0.3686000      0.1048000      0.5266000
  1 1 1      26    7    1 o    10.10000      0.3630000       10.27000 0.5312000       9.924000      0.4948000      0.3428000      0.7259000
  1 1 1      26    7    2 o    9.893000      0.2487000       9.734000 0.3555000       10.05000      0.3480000     -0.3179000      0.4975000
  1 1 1      26    7    3 o    6.618000      0.2784000       6.445000 0.4042000       6.791000      0.3829000     -0.3467000      0.5568000
  1 1 1      26    7    4 o    7.488000      0.3561000       7.408000 0.5037000       7.569000      0.5034000     -0.1609000      0.7122000
  1 1 1      26    7    5 f    5.932000      0.2853000       6.147000 0.3850000       5.717000      0.4210000      0.4305000      0.5705000
  1 1 1      26    7    6 o    8.286000      0.2434000       7.930000 0.3420000       8.642000      0.3464000     -0.7120000      0.4868000
  1 1 1      26    7    7 f    9.321000      0.2334000       9.431000 0.3255000       9.210000      0.3347000      0.2211000      0.4669000
  1 1 1      26    7    8 o    19.00000      0.2918000       18.68000 0.4083000       19.32000      0.4171000     -0.6412000      0.5837000
  1 1 1      26    7    9 o    5.654000      0.2863000       6.110000 0.3732000       5.199000      0.4343000      0.9106000      0.5727000
  1 1 1      26    7   10 o    2.960000      0.4781000       2.697000 0.6887000       3.224000      0.6634000     -0.5266000      0.9562000
  1 1 1      26    7   11 o    6.431000      0.2622000       6.748000 0.3507000       6.115000      0.3899000      0.6321000      0.5244000
  1 1 1      26    7   12 o    6.811000      0.2478000       7.114000 0.3383000       6.509000      0.3621000      0.6049000      0.4955000
  1 1 1      26    7   13 o    5.627000      0.2704000       5.563000 0.3687000       5.691000      0.3956000     -0.1279000      0.5408000
  1 1 1      26    7   14 o    3.144000      0.4291000       2.901000 0.6429000       3.387000      0.5684000     -0.4854000      0.8581000
  1 1 1      26    7   15 o    2.141000      0.4886000       2.501000 0.6936000       1.782000      0.6884000      0.7185000      0.9772000
  1 1 1      26    7   16 f    4.480000      0.3673000       4.807000 0.3928000       4.154000      0.6208000      0.6523000      0.7346000
  1 1 1      26    7   17 o    6.042000      0.3418000       5.978000 0.5239000       6.106000      0.4392000     -0.1284000      0.6837000
  1 1 1      26    7   18 o    6.290000      0.2183000       6.652000 0.3085000       5.928000      0.3089000      0.7246000      0.4365000
  1 1 1      26    7   19 o    9.073000      0.2632000       9.165000 0.3577000       8.980000      0.3862000      0.1852000      0.5264000
  1 1 1      26    7   20 o    3.177000      0.3407000       3.609000 0.4113000       2.745000      0.5433000      0.8641000      0.6814000
  1 1 1      26    7   21 f    6.538000      0.1882000       6.289000 0.2714000       6.787000      0.2608000     -0.4978000      0.3764000
  1 1 1      26    7   22 o    3.275000      0.3825000       4.237000 0.5427000       2.312000      0.5392000       1.925000      0.7651000
  1 1 1      26    7   23 o    1.887000      0.3829000       1.517000 0.6108000       2.258000      0.4618000     -0.7405000      0.7657000
  1 1 1      26    7   24 o    2.026000      0.3249000       1.276000 0.5498000       2.777000      0.3463000      -1.501000      0.6498000
  1 1 1      26    7   25 o    3.304000      0.2072000       3.464000 0.3179000       3.144000      0.2659000      0.3208000      0.4144000
  1 1 1      26    8    0 o    15.21000      0.2707000       15.12000 0.3857000       15.30000      0.3801000     -0.1800000      0.5415000
  1 1 1      26    8    1 o    5.456000      0.4848000       5.637000 0.6816000       5.276000      0.6896000      0.3611000      0.9696000
  1 1 1      26    8    2 o    6.975000      0.2844000       6.848000 0.4150000       7.102000      0.3890000     -0.2543000      0.5688000
  1 1 1      26    8    3 o    11.24000      0.2500000       11.30000 0.3607000       11.18000      0.3463000      0.1278000      0.5000000
  1 1 1      26    8    4 o    7.275000      0.3764000       6.782000 0.5368000       7.768000      0.5279000     -0.9862000      0.7528000
  1 1 1      26    8    5 o    4.540000      0.3698000       4.622000 0.5029000       4.459000      0.5423000      0.1634000      0.7396000
  1 1 1      26    8    6 o    11.05000      0.2421000       11.07000 0.3440000       11.04000      0.3407000      0.3279000E-01  0.4842000
  1 1 1      26    8    7 o    7.453000      0.2576000       7.649000 0.3566000       7.256000      0.3717000      0.3935000      0.5151000
  1 1 1      26    8    8 o    6.259000      0.3715000       5.583000 0.6447000       6.935000      0.3692000      -1.353000      0.7429000
  1 1 1      26    8    9 o    8.742000      0.2353000       8.535000 0.3336000       8.950000      0.3318000     -0.4149000      0.4705000
  1 1 1      26    8   10 o    2.315000      0.5312000       2.251000 0.7507000       2.380000      0.7518000     -0.1285000       1.062000
  1 1 1      26    8   11 o    8.217000      0.2346000       8.416000 0.3274000       8.019000      0.3362000      0.3971000      0.4693000
  1 1 1      26    8   12 o    2.399000      0.5207000       2.469000 0.7268000       2.330000      0.7457000      0.1386000       1.041000
  1 1 1      26    8   13 o    7.208000      0.2343000       7.052000 0.3330000       7.364000      0.3297000     -0.3124000      0.4686000
  1 1 1      26    8   14 o    5.086000      0.2866000       4.771000 0.4300000       5.400000      0.3789000     -0.6289000      0.5731000
  1 1 1      26    8   15 o    4.494000      0.3041000       4.506000 0.4301000       4.481000      0.4300000      0.2436000E-01  0.6082000
  1 1 1      26    8   16 o    6.148000      0.2837000       6.206000 0.3424000       6.091000      0.4525000      0.1157000      0.5675000
  1 1 1      26    8   17 o    5.705000      0.3622000       5.237000 0.5790000       6.173000      0.4353000     -0.9365000      0.7244000
  1 1 1      26    8   18 o    4.994000      0.2549000       5.230000 0.3608000       4.758000      0.3602000      0.4723000      0.5098000
  1 1 1      26    8   19 o    6.074000      0.3007000       6.076000 0.4035000       6.073000      0.4458000      0.2954000E-02  0.6013000
  1 1 1      26    8   20 o    6.037000      0.2780000       6.352000 0.3585000       5.722000      0.4251000      0.6305000      0.5561000
  1 1 1      26    8   21 o    3.749000      0.2778000       4.351000 0.3470000       3.148000      0.4340000       1.203000      0.5557000
  1 1 1      26    8   22 o    3.174000      0.4276000       3.174000 0.4276000                  ?              ?              ?              ?
  1 1 1      26    8   23 o    1.283000      0.3725000       1.350000 0.5472000       1.217000      0.5056000      0.1331000      0.7451000
  1 1 1      26    8   24 o    4.675000      0.2101000       4.319000 0.3532000       5.030000      0.2276000     -0.7108000      0.4201000
  1 1 1      26    8   25 o    6.969000      0.1895000       7.148000 0.2821000       6.789000      0.2533000      0.3591000      0.3791000
  1 1 1      26    9    0 o    12.79000      0.3131000       12.70000 0.3742000       12.88000      0.5022000     -0.1768000      0.6263000
  1 1 1      26    9    1 o    11.31000      0.3630000       11.82000 0.5316000       10.80000      0.4943000       1.015000      0.7259000
  1 1 1      26    9    2 o    8.358000      0.2671000       8.016000 0.3885000       8.700000      0.3667000     -0.6836000      0.5343000
  1 1 1      26    9    3 o    11.42000      0.2503000       11.48000 0.3549000       11.35000      0.3532000      0.1341000      0.5007000
  1 1 1      26    9    4 o    6.963000      0.3986000       7.524000 0.5325000       6.402000      0.5933000       1.122000      0.7972000
  1 1 1      26    9    5 o    8.072000      0.2613000       7.925000 0.3751000       8.218000      0.3640000     -0.2923000      0.5227000
  1 1 1      26    9    6 o    18.10000      0.2885000       18.06000 0.4083000       18.14000      0.4077000     -0.8519000E-01  0.5770000
  1 1 1      26    9    7 o    8.753000      0.2484000       8.599000 0.3501000       8.908000      0.3523000     -0.3086000      0.4967000
  1 1 1      26    9    8 o    8.822000      0.2422000       9.018000 0.3423000       8.625000      0.3428000      0.3929000      0.4844000
  1 1 1      26    9    9 o    11.67000      0.2357000       11.71000 0.3333000       11.62000      0.3332000      0.8929000E-01  0.4713000
  1 1 1      26    9   10 o    1.859000      0.5227000       1.941000 0.7511000       1.777000      0.7272000      0.1634000       1.045000
  1 1 1      26    9   11 o    6.064000      0.2825000       5.977000 0.4011000       6.152000      0.3980000     -0.1755000      0.5650000
  1 1 1      26    9   12 o    7.483000      0.2459000       7.408000 0.3505000       7.557000      0.3451000     -0.1493000      0.4919000
  1 1 1      26    9   13 o    4.408000      0.3469000       4.020000 0.5361000       4.795000      0.4404000     -0.7753000      0.6938000
  1 1 1      26    9   14 o    8.330000      0.2287000       8.607000 0.3277000       8.053000      0.3190000      0.5548000      0.4574000
  1 1 1      26    9   15 o    4.575000      0.3170000       4.417000 0.4710000       4.733000      0.4245000     -0.3160000      0.6340000
  1 1 1      26    9   16 o    5.252000      0.2718000       5.221000 0.4081000       5.283000      0.3591000     -0.6263000E-01  0.5436000
  1 1 1      26    9   17 o    13.23000      0.3160000       12.84000 0.4575000       13.63000      0.4361000     -0.7866000      0.6320000
  1 1 1      26    9   18 o    2.259000      0.4563000       2.767000 0.6380000       1.751000      0.6525000       1.016000      0.9126000
  1 1 1      26    9   19 o    2.507000      0.4331000       3.161000 0.5641000       1.853000      0.6574000       1.308000      0.8662000
  1 1 1      26    9   20 f    6.167000      0.3008000       6.295000 0.3887000       6.039000      0.4592000      0.2562000      0.6017000
  1 1 1      26    9   21 o    8.444000      0.1859000       8.065000 0.2704000       8.822000      0.2551000     -0.7573000      0.3718000
  1 1 1      26    9   22 o    4.215000      0.3434000       4.215000 0.3434000                  ?              ?              ?              ?
  1 1 1      26    9   23 o    2.416000      0.3470000       2.917000 0.4333000       1.915000      0.5421000       1.002000      0.6940000
  1 1 1      26    9   24 o    5.774000      0.2283000                  ?       ?   5.774000      0.2283000                  ?              ?
  1 1 1      26    9   25 o    2.036000      0.3334000       2.539000 0.4253000       1.534000      0.5136000       1.005000      0.6668000
  1 1 1      26    9   26 o    3.644000      0.2137000       4.023000 0.2602000       3.265000      0.3391000      0.7584000      0.4274000
  1 1 1      26   10    0 o    8.434000      0.2755000       8.138000 0.3990000       8.731000      0.3800000     -0.5935000      0.5510000
  1 1 1      26   10    1 o    3.736000      0.6818000       4.002000 0.9836000       3.469000      0.9445000      0.5336000       1.364000
  1 1 1      26   10    2 o    6.942000      0.2865000       7.093000 0.4088000       6.791000      0.4016000      0.3024000      0.5731000
  1 1 1      26   10    3 o    6.184000      0.3153000       5.888000 0.4635000       6.479000      0.4274000     -0.5909000      0.6305000
  1 1 1      26   10    4 o    2.121000      0.6178000       1.708000 0.7852000       2.534000      0.9539000     -0.8259000       1.236000
  1 1 1      26   10    5 o    9.353000      0.2471000       9.279000 0.3541000       9.427000      0.3447000     -0.1481000      0.4942000
  1 1 1      26   10    6 o    10.81000      0.2409000       10.52000 0.3420000       11.11000      0.3394000     -0.5885000      0.4819000
  1 1 1      26   10    7 o    7.763000      0.2552000       8.001000 0.3603000       7.524000      0.3616000      0.4765000      0.5105000
  1 1 1      26   10    8 o    7.038000      0.2656000       7.296000 0.3741000       6.781000      0.3772000      0.5154000      0.5312000
  1 1 1      26   10    9 o    9.611000      0.2381000       9.522000 0.3414000       9.699000      0.3319000     -0.1768000      0.4761000
  1 1 1      26   10   10 o    7.076000      0.2638000       6.946000 0.3796000       7.205000      0.3663000     -0.2589000      0.5275000
  1 1 1      26   10   11 o    8.261000      0.2399000       8.035000 0.3457000       8.487000      0.3328000     -0.4513000      0.4798000
  1 1 1      26   10   12 o    3.052000      0.4918000       3.005000 0.7198000       3.099000      0.6704000     -0.9462000E-01  0.9836000
  1 1 1      26   10   13 f    7.085000      0.2502000       7.058000 0.3596000       7.113000      0.3479000     -0.5511000E-01  0.5003000
  1 1 1      26   10   14 f    11.37000      0.2269000       11.19000 0.3234000       11.55000      0.3184000     -0.3566000      0.4538000
  1 1 1      26   10   15 o    2.952000      0.4820000       2.811000 0.7417000       3.092000      0.6158000     -0.2807000      0.9640000
  1 1 1      26   10   16 o    4.799000      0.2964000       4.505000 0.4516000       5.092000      0.3841000     -0.5870000      0.5929000
  1 1 1      26   10   17 o    11.33000      0.2980000       11.08000 0.4420000       11.57000      0.4000000     -0.4915000      0.5961000
  1 1 1      26   10   18 o    3.373000      0.4826000       3.527000 0.7623000       3.220000      0.5919000      0.3062000      0.9652000
  1 1 1      26   10   19 o    4.012000      0.2977000       3.952000 0.4581000       4.073000      0.3802000     -0.1216000      0.5953000
  1 1 1      26   10   20 o    1.562000      0.4883000       1.786000 0.7361000       1.337000      0.6418000      0.4491000      0.9766000
  1 1 1      26   10   21 o    5.744000      0.2075000       5.906000 0.2985000       5.583000      0.2882000      0.3225000      0.4149000
  1 1 1      26   10   22 o    1.448000      0.4161000       1.467000 0.6075000       1.429000      0.5689000      0.3756000E-01  0.8323000
  1 1 1      26   10   23 o    3.915000      0.2423000       4.054000 0.3460000       3.776000      0.3394000      0.2779000      0.4846000
  1 1 1      26   10   24 o    1.068000      0.3298000       1.249000 0.5028000      0.8877000      0.4269000      0.3612000      0.6596000
  1 1 1      26   10   25 o    4.495000      0.1955000       4.679000 0.2807000       4.311000      0.2721000      0.3688000      0.3909000
  1 1 1      26   10   26 o    4.164000      0.2486000       4.647000 0.2929000       3.681000      0.4019000      0.9659000      0.4973000
  1 1 1      26   10   27 o    3.122000      0.4465000       3.122000 0.4465000                  ?              ?              ?              ?
  1 1 1      26   11    0 o    22.85000      0.3443000       23.05000 0.4922000       22.64000      0.4816000      0.4140000      0.6887000
  1 1 1      26   11    1 o    3.427000      0.6682000       3.674000 0.9586000       3.179000      0.9310000      0.4958000       1.336000
  1 1 1      26   11    2 o    1.774000      0.5351000       1.715000 0.7468000       1.833000      0.7665000     -0.1176000       1.070000
  1 1 1      26   11    3 o    1.913000      0.5328000       1.643000 0.7331000       2.183000      0.7732000     -0.5400000       1.066000
  1 1 1      26   11    4 o    3.980000      0.6202000       3.513000 0.9224000       4.447000      0.8294000     -0.9342000       1.240000
  1 1 1      26   11    5 o    6.522000      0.2951000       6.981000 0.4170000       6.063000      0.4177000      0.9181000      0.5902000
  1 1 1      26   11    6 o    10.96000      0.2426000       11.06000 0.3462000       10.86000      0.3401000      0.1994000      0.4853000
  1 1 1      26   11    7 o    7.917000      0.2595000       7.723000 0.3730000       8.112000      0.3610000     -0.3895000      0.5191000
  1 1 1      26   11    8 o    6.771000      0.2672000       6.997000 0.3826000       6.545000      0.3731000      0.4522000      0.5344000
  1 1 1      26   11    9 f    7.919000      0.2493000       7.897000 0.3612000       7.941000      0.3438000     -0.4405000E-01  0.4987000
  1 1 1      26   11   10 o    12.74000      0.2387000       12.86000 0.3406000       12.61000      0.3346000      0.2425000      0.4774000
  1 1 1      26   11   11 o    9.070000      0.2320000       9.124000 0.3313000       9.017000      0.3249000      0.1064000      0.4640000
  1 1 1      26   11   12 o    1.520000      0.4722000       1.734000 0.7231000       1.306000      0.6075000      0.4280000      0.9444000
  1 1 1      26   11   13 o    9.310000      0.2279000       9.206000 0.3308000       9.413000      0.3136000     -0.2066000      0.4559000
  1 1 1      26   11   14 o    11.51000      0.2258000       11.27000 0.3205000       11.74000      0.3181000     -0.4756000      0.4516000
  1 1 1      26   11   15 o    7.217000      0.2412000       7.029000 0.3615000       7.406000      0.3194000     -0.3775000      0.4824000
  1 1 1      26   11   16 o    3.474000      0.4144000       3.391000 0.6292000       3.557000      0.5394000     -0.1661000      0.8287000
  1 1 1      26   11   17 o    11.30000      0.2148000       11.46000 0.3122000       11.15000      0.2950000      0.3066000      0.4295000
  1 1 1      26   11   18 o    5.215000      0.3660000       4.559000 0.6257000       5.872000      0.3800000      -1.313000      0.7320000
  1 1 1      26   11   19 f    7.745000      0.2060000       7.705000 0.3062000       7.785000      0.2756000     -0.7992000E-01  0.4120000
  1 1 1      26   11   20 o    6.705000      0.2051000       6.522000 0.3067000       6.889000      0.2724000     -0.3667000      0.4102000
  1 1 1      26   11   21 o    5.243000      0.3631000       5.635000 0.4437000       4.851000      0.5749000      0.7843000      0.7262000
  1 1 1      26   11   22 o    2.144000      0.4197000       2.507000 0.6013000       1.781000      0.5856000      0.7256000      0.8394000
  1 1 1      26   11   23 o    5.480000      0.1929000       5.570000 0.2800000       5.390000      0.2655000      0.1798000      0.3859000
  1 1 1      26   11   24 o    1.634000      0.4208000       1.589000 0.6046000       1.678000      0.5855000     -0.8900000E-01  0.8416000
  1 1 1      26   11   25 o    1.397000      0.4076000       1.409000 0.5861000       1.384000      0.5667000      0.2523000E-01  0.8152000
  1 1 1      26   11   26 f    2.296000      0.4480000       1.828000 0.6473000       2.765000      0.6195000     -0.9368000      0.8960000
  1 1 1      26   11   27 o    1.697000      0.4392000       2.004000 0.6486000       1.391000      0.5922000      0.6127000      0.8783000
  1 1 1      26   12    0 o    15.78000      0.2782000       15.59000 0.3937000       15.97000      0.3931000     -0.3760000      0.5564000
  1 1 1      26   12    1 o    4.226000      0.5917000       4.395000 0.8634000       4.057000      0.8093000      0.3374000       1.183000
  1 1 1      26   12    2 o    6.921000      0.2886000       6.665000 0.4281000       7.177000      0.3872000     -0.5122000      0.5773000
  1 1 1      26   12    3 o    2.859000      0.5536000       2.620000 0.8173000       3.097000      0.7468000     -0.4768000       1.107000
  1 1 1      26   12    4 o    11.65000      0.3543000       11.47000 0.4944000       11.83000      0.5078000     -0.3685000      0.7087000
  1 1 1      26   12    5 o    3.805000      0.6365000       4.151000 0.8866000       3.460000      0.9135000      0.6907000       1.273000
  1 1 1      26   12    6 o    7.799000      0.2635000       7.647000 0.3821000       7.951000      0.3630000     -0.3039000      0.5271000
  1 1 1      26   12    7 o    3.430000      0.4810000       3.516000 0.6895000       3.343000      0.6710000      0.1729000      0.9621000
  1 1 1      26   12    8 o    6.205000      0.2767000       6.227000 0.4035000       6.182000      0.3788000      0.4552000E-01  0.5535000
  1 1 1      26   12    9 o    3.495000      0.4534000       2.886000 0.7448000       4.105000      0.5174000      -1.219000      0.9069000
  1 1 1      26   12   10 o    9.612000      0.2332000       9.916000 0.3339000       9.309000      0.3255000      0.6069000      0.4663000
  1 1 1      26   12   11 o    16.66000      0.2676000       16.48000 0.3774000       16.84000      0.3795000     -0.3562000      0.5352000
  1 1 1      26   12   12 o    5.794000      0.2901000       5.534000 0.4366000       6.055000      0.3820000     -0.5219000      0.5801000
  1 1 1      26   12   13 o    8.370000      0.2324000       8.211000 0.3420000       8.529000      0.3148000     -0.3186000      0.4648000
  1 1 1      26   12   14 o    10.32000      0.2266000       10.16000 0.3246000       10.47000      0.3162000     -0.3144000      0.4532000
  1 1 1      26   12   15 o    6.057000      0.2714000       6.140000 0.4048000       5.975000      0.3617000      0.1641000      0.5429000
  1 1 1      26   12   16 o    9.182000      0.2172000       9.275000 0.3149000       9.089000      0.2992000      0.1866000      0.4344000
  1 1 1      26   12   17 o    10.44000      0.2133000       10.46000 0.3054000       10.41000      0.2978000      0.4457000E-01  0.4266000
  1 1 1      26   12   18 o    1.978000      0.5348000       2.117000 0.8148000       1.838000      0.6929000      0.2784000       1.070000
  1 1 1      26   12   19 o    3.783000      0.4372000       2.877000 0.7858000       4.689000      0.3836000      -1.811000      0.8745000
  1 1 1      26   12   20 o    13.47000      0.2191000       13.14000 0.3069000       13.79000      0.3129000     -0.6521000      0.4382000
  1 1 1      26   12   21 o    5.531000      0.2185000       5.440000 0.3264000       5.622000      0.2906000     -0.1828000      0.4370000
  1 1 1      26   12   22 o    2.459000      0.5822000       2.528000 0.7715000       2.389000      0.8721000      0.1391000       1.164000
  1 1 1      26   12   23 o    2.692000      0.3543000       3.674000 0.3896000       1.711000      0.5920000       1.963000      0.7087000
  1 1 1      26   12   24 o    1.516000      0.4230000       1.392000 0.5826000       1.640000      0.6134000     -0.2484000      0.8460000
  1 1 1      26   12   25 o    1.470000      0.4233000       1.254000 0.5635000       1.685000      0.6317000     -0.4306000      0.8465000
  1 1 1      26   12   26 o    2.110000      0.4915000       2.315000 0.6894000       1.904000      0.7008000      0.4114000      0.9830000
  1 1 1      26   12   27 o    1.762000      0.4799000       1.563000 0.6440000       1.962000      0.7117000     -0.3988000      0.9598000
  1 1 1      26   13    0 o    10.28000      0.2615000       9.795000 0.3788000       10.77000      0.3607000     -0.9754000      0.5231000
  1 1 1      26   13    1 o    14.73000      0.3738000       15.19000 0.5479000       14.27000      0.5086000      0.9253000      0.7476000
  1 1 1      26   13    2 o    7.636000      0.3918000       7.801000 0.5913000       7.471000      0.5142000      0.3303000      0.7836000
  1 1 1      26   13    3 o    2.831000      0.5618000       3.171000 0.8051000       2.490000      0.7839000      0.6813000       1.124000
  1 1 1      26   13    4 o    9.850000      0.2510000       10.35000 0.3553000       9.348000      0.3547000       1.004000      0.5020000
  1 1 1      26   13    5 o    4.835000      0.5625000       4.300000 0.8667000       5.370000      0.7174000      -1.070000       1.125000
  1 1 1      26   13    6 f    1.811000      0.5286000       1.579000 0.7063000       2.043000      0.7867000     -0.4644000       1.057000
  1 1 1      26   13    7 o    9.678000      0.2432000       9.668000 0.3488000       9.688000      0.3391000     -0.1996000E-01  0.4865000
  1 1 1      26   13    8 o    8.686000      0.2506000       8.923000 0.3608000       8.450000      0.3480000      0.4732000      0.5013000
  1 1 1      26   13    9 o    5.754000      0.3056000       6.085000 0.4249000       5.423000      0.4393000      0.6625000      0.6112000
  1 1 1      26   13   10 o    7.708000      0.2541000       7.685000 0.3695000       7.732000      0.3489000     -0.4684000E-01  0.5081000
  1 1 1      26   13   11 o    12.26000      0.2372000       12.33000 0.3390000       12.19000      0.3320000      0.1384000      0.4745000
  1 1 1      26   13   12 o    8.350000      0.2401000       8.179000 0.3530000       8.521000      0.3256000     -0.3418000      0.4803000
  1 1 1      26   13   13 o    10.64000      0.2291000       10.82000 0.3311000       10.46000      0.3166000      0.3535000      0.4581000
  1 1 1      26   13   14 o    17.14000      0.2686000       17.05000 0.3804000       17.22000      0.3792000     -0.1676000      0.5371000
  1 1 1      26   13   15 o    3.987000      0.3808000       4.020000 0.5662000       3.953000      0.5093000      0.6620000E-01  0.7616000
  1 1 1      26   13   16 o    11.11000      0.2222000       11.34000 0.3252000       10.89000      0.3029000      0.4471000      0.4445000
  1 1 1      26   13   17 o    16.07000      0.2516000       16.19000 0.3596000       15.96000      0.3520000      0.2310000      0.5032000
  1 1 1      26   13   18 o    3.421000      0.3928000       3.108000 0.6614000       3.735000      0.4239000     -0.6271000      0.7856000
  1 1 1      26   13   19 o    3.829000      0.3038000       3.940000 0.4688000       3.717000      0.3865000      0.2229000      0.6076000
  1 1 1      26   13   20 o    7.838000      0.2437000       7.843000 0.3733000       7.834000      0.3132000      0.8851000E-02  0.4873000
  1 1 1      26   13   21 o    8.177000      0.2262000       8.125000 0.3634000       8.228000      0.2696000     -0.1029000      0.4525000
  1 1 1      26   13   22 o    4.912000      0.2367000       4.980000 0.3495000       4.844000      0.3194000      0.1361000      0.4735000
  1 1 1      26   13   23 o    2.604000      0.8177000       2.604000 0.8177000                  ?              ?              ?              ?
  1 1 1      26   13   24 o    2.744000      0.5817000       2.404000 0.7813000       3.083000      0.8621000     -0.6785000       1.163000
  1 1 1      26   13   25 o    1.452000      0.6266000                  ?       ?   1.452000      0.6266000                  ?              ?
  1 1 1      26   13   26 o    4.049000      0.3633000       4.608000 0.4335000       3.490000      0.5832000       1.118000      0.7267000
  1 1 1      26   13   27 o    2.673000      0.4499000       3.536000 0.5544000       1.811000      0.7087000       1.725000      0.8998000
  1 1 1      26   14    0 o    11.85000      0.2635000       12.26000 0.3768000       11.45000      0.3685000      0.8092000      0.5270000
  1 1 1      26   14    1 o    9.401000      0.2662000       9.557000 0.3892000       9.245000      0.3632000      0.3128000      0.5323000
  1 1 1      26   14    2 o    6.385000      0.4147000       6.655000 0.6161000       6.115000      0.5552000      0.5402000      0.8293000
  1 1 1      26   14    3 o    2.435000      0.5694000       2.904000 0.8291000       1.965000      0.7807000      0.9388000       1.139000
  1 1 1      26   14    4 f    5.687000      0.3384000       5.794000 0.4982000       5.580000      0.4582000      0.2144000      0.6769000
  1 1 1      26   14    5 o    5.320000      0.5392000       5.526000 0.7553000       5.115000      0.7696000      0.4104000       1.078000
  1 1 1      26   14    6 o    6.129000      0.4752000       5.420000 0.7171000       6.839000      0.6238000      -1.419000      0.9505000
  1 1 1      26   14    7 o    12.33000      0.2462000       12.34000 0.3553000       12.32000      0.3408000      0.2129000E-01  0.4923000
  1 1 1      26   14    8 o    7.600000      0.2640000       7.695000 0.3812000       7.504000      0.3654000      0.1906000      0.5281000
  1 1 1      26   14    9 o    7.962000      0.2579000       8.142000 0.3754000       7.782000      0.3537000      0.3603000      0.5158000
  1 1 1      26   14   10 o    9.074000      0.2449000       9.231000 0.3520000       8.916000      0.3405000      0.3146000      0.4898000
  1 1 1      26   14   11 o    6.178000      0.2849000       6.097000 0.4277000       6.259000      0.3765000     -0.1620000      0.5698000
  1 1 1      26   14   12 o    9.016000      0.2371000       8.704000 0.3465000       9.328000      0.3238000     -0.6246000      0.4743000
  1 1 1      26   14   13 f    10.40000      0.2293000       10.34000 0.3314000       10.47000      0.3172000     -0.1243000      0.4587000
  1 1 1      26   14   14 o    10.42000      0.2264000       10.36000 0.3273000       10.47000      0.3128000     -0.1129000      0.4528000
  1 1 1      26   14   15 o    9.234000      0.2291000       9.264000 0.3291000       9.205000      0.3190000      0.5961000E-01  0.4583000
  1 1 1      26   14   16 o    3.398000      0.4173000       3.664000 0.6233000       3.132000      0.5551000      0.5321000      0.8347000
  1 1 1      26   14   17 o    9.418000      0.2187000       9.641000 0.3234000       9.194000      0.2944000      0.4470000      0.4374000
  1 1 1      26   14   18 o    8.050000      0.2152000       7.642000 0.3199000       8.457000      0.2879000     -0.8151000      0.4304000
  1 1 1      26   14   19 o    7.826000      0.2073000       7.949000 0.2987000       7.704000      0.2875000      0.2446000      0.4146000
  1 1 1      26   14   20 o    3.786000      0.2979000       3.706000 0.4638000       3.866000      0.3742000     -0.1599000      0.5959000
  1 1 1      26   14   21 o    5.249000      0.2605000       5.114000 0.4147000       5.384000      0.3152000     -0.2698000      0.5209000
  1 1 1      26   14   22 o    4.639000      0.3151000       4.413000 0.5127000       4.864000      0.3664000     -0.4504000      0.6301000
  1 1 1      26   14   23 f    2.683000      0.5969000       2.683000 0.5969000                  ?              ?              ?              ?
  1 1 1      26   14   24 o    2.274000      0.4500000       2.914000 0.6074000       1.634000      0.6641000       1.280000      0.9000000
  1 1 1      26   14   25 o    1.926000      0.8098000                  ?       ?   1.926000      0.8098000                  ?              ?
  1 1 1      26   14   26 o    1.912000      0.5183000       2.409000 0.7976000       1.415000      0.6621000      0.9943000       1.037000
  1 1 1      26   14   27 o    1.640000      0.4900000       1.618000 0.6902000       1.662000      0.6956000     -0.4475000E-01  0.9799000
  1 1 1      26   15    0 o    12.54000      0.2647000       12.67000 0.3802000       12.42000      0.3685000      0.2581000      0.5294000
  1 1 1      26   15    1 o    13.27000      0.2638000       13.55000 0.3791000       12.98000      0.3669000      0.5706000      0.5276000
  1 1 1      26   15    2 o    10.14000      0.3562000       10.33000 0.5355000       9.964000      0.4700000      0.3615000      0.7125000
  1 1 1      26   15    3 o    6.746000      0.4282000       6.547000 0.6634000       6.946000      0.5415000     -0.3992000      0.8563000
  1 1 1      26   15    4 o    3.435000      0.5161000       3.591000 0.7425000       3.279000      0.7172000      0.3124000       1.032000
  1 1 1      26   15    5 o    3.429000      0.5172000       3.559000 0.7460000       3.300000      0.7166000      0.2596000       1.034000
  1 1 1      26   15    6 f    2.090000      0.6307000       1.890000 0.8377000       2.291000      0.9432000     -0.4004000       1.261000
  1 1 1      26   15    7 o    5.510000      0.5113000       5.942000 0.6151000       5.079000      0.8168000      0.8625000       1.023000
  1 1 1      26   15    8 o    5.743000      0.3375000       5.359000 0.5156000       6.128000      0.4358000     -0.7686000      0.6751000
  1 1 1      26   15    9 o    5.787000      0.3018000       6.049000 0.4335000       5.525000      0.4199000      0.5241000      0.6035000
  1 1 1      26   15   10 o    6.294000      0.2878000       6.093000 0.4380000       6.495000      0.3733000     -0.4020000      0.5755000
  1 1 1      26   15   11 o    11.03000      0.2339000       11.15000 0.3372000       10.90000      0.3243000      0.2509000      0.4679000
  1 1 1      26   15   12 o    8.593000      0.2383000       8.645000 0.3501000       8.541000      0.3233000      0.1047000      0.4766000
  1 1 1      26   15   13 o    8.067000      0.2415000       8.276000 0.3553000       7.857000      0.3273000      0.4188000      0.4830000
  1 1 1      26   15   14 o    3.403000      0.4472000       3.376000 0.6819000       3.430000      0.5786000     -0.5411000E-01  0.8943000
  1 1 1      26   15   15 o    7.441000      0.2451000       7.242000 0.3761000       7.639000      0.3145000     -0.3966000      0.4902000
  1 1 1      26   15   16 o    7.340000      0.2397000       7.384000 0.3633000       7.296000      0.3128000      0.8796000E-01  0.4794000
  1 1 1      26   15   17 o    6.297000      0.2506000       5.949000 0.3879000       6.646000      0.3176000     -0.6967000      0.5013000
  1 1 1      26   15   18 o    10.19000      0.2149000       10.16000 0.3111000       10.23000      0.2965000     -0.6808000E-01  0.4297000
  1 1 1      26   15   19 o    12.32000      0.2174000       12.21000 0.3087000       12.42000      0.3063000     -0.2154000      0.4348000
  1 1 1      26   15   20 o    7.154000      0.2016000       7.081000 0.3010000       7.228000      0.2682000     -0.1471000      0.4031000
  1 1 1      26   15   21 o    4.259000      0.2688000       4.371000 0.3929000       4.148000      0.3668000      0.2231000      0.5375000
  1 1 1      26   15   22 o    1.767000      0.4499000       2.179000 0.6855000       1.356000      0.5830000      0.8228000      0.8998000
  1 1 1      26   15   23 o    1.449000      0.4606000       1.376000 0.6384000       1.522000      0.6641000     -0.1460000      0.9212000
  1 1 1      26   15   24 o    2.718000      0.5685000       3.503000 0.8260000       1.932000      0.7813000       1.571000       1.137000
  1 1 1      26   15   25 o    3.188000      0.4025000       3.063000 0.4821000       3.313000      0.6447000     -0.2505000      0.8050000
  1 1 1      26   15   26 o    1.338000      0.4406000       1.264000 0.5968000       1.411000      0.6483000     -0.1471000      0.8812000
  1 1 1      26   15   27 o    1.656000      0.4980000       1.851000 0.7336000       1.461000      0.6738000      0.3900000      0.9961000
  1 1 1      26   16    0 o    11.70000      0.2635000       11.61000 0.3789000       11.79000      0.3664000     -0.1765000      0.5271000
  1 1 1      26   16    1 f    3.543000      0.5134000       2.546000 0.8552000       4.539000      0.5683000      -1.993000       1.027000
  1 1 1      26   16    2 f    10.98000      0.2598000       10.85000 0.3757000       11.12000      0.3590000     -0.2714000      0.5197000
  1 1 1      26   16    3 o    5.009000      0.5329000       4.660000 0.8666000       5.359000      0.6206000     -0.6984000       1.066000
  1 1 1      26   16    4 o    5.998000      0.4473000       6.030000 0.7091000       5.966000      0.5454000      0.6375000E-01  0.8946000
  1 1 1      26   16    5 o    3.278000      0.5152000       3.509000 0.7239000       3.047000      0.7332000      0.4625000       1.030000
  1 1 1      26   16    6 o    7.431000      0.2852000       7.569000 0.4214000       7.293000      0.3844000      0.2756000      0.5703000
  1 1 1      26   16    7 o    7.703000      0.4167000       8.595000 0.5331000       6.812000      0.6405000       1.783000      0.8334000
  1 1 1      26   16    8 o    3.049000      0.7109000       2.841000 0.9609000       3.256000       1.048000     -0.4148000       1.422000
  1 1 1      26   16    9 o    2.905000      0.5385000       2.927000 0.7937000       2.883000      0.7279000      0.4390000E-01   1.077000
  1 1 1      26   16   10 o    11.85000      0.2398000       12.12000 0.3414000       11.57000      0.3369000      0.5530000      0.4796000
  1 1 1      26   16   11 o    14.77000      0.2539000       14.86000 0.3636000       14.69000      0.3544000      0.1708000      0.5077000
  1 1 1      26   16   12 o    6.102000      0.2769000       6.165000 0.4180000       6.039000      0.3631000      0.1255000      0.5537000
  1 1 1      26   16   13 f    4.565000      0.3513000       4.673000 0.5235000       4.458000      0.4687000      0.2150000      0.7026000
  1 1 1      26   16   14 o    2.258000      0.5332000       2.290000 0.8004000       2.225000      0.7046000      0.6508000E-01   1.066000
  1 1 1      26   16   15 o    12.18000      0.2311000       12.16000 0.3323000       12.20000      0.3213000     -0.3683000E-01  0.4623000
  1 1 1      26   16   16 o    15.79000      0.2532000       15.91000 0.3599000       15.67000      0.3561000      0.2393000      0.5063000
  1 1 1      26   16   17 o    5.346000      0.2776000       5.449000 0.4187000       5.242000      0.3647000      0.2071000      0.5553000
  1 1 1      26   16   18 o    6.160000      0.2415000       6.161000 0.3602000       6.160000      0.3217000      0.1654000E-02  0.4830000
  1 1 1      26   16   19 o    8.276000      0.2093000       8.497000 0.3081000       8.055000      0.2833000      0.4419000      0.4186000
  1 1 1      26   16   20 o    2.911000      0.4068000       3.322000 0.5499000       2.499000      0.5997000      0.8225000      0.8136000
  1 1 1      26   16   21 o    8.089000      0.2039000       8.187000 0.2890000       7.992000      0.2875000      0.1952000      0.4077000
  1 1 1      26   16   22 o    2.127000      0.4896000       2.170000 0.6902000       2.084000      0.6945000      0.8589000E-01  0.9791000
  1 1 1      26   16   23 o    4.048000      0.3322000       4.069000 0.4547000       4.026000      0.4845000      0.4317000E-01  0.6645000
  1 1 1      26   16   24 o    1.869000      0.5027000       2.090000 0.7161000       1.647000      0.7057000      0.4435000       1.005000
  1 1 1      26   16   25 o    2.030000      0.5025000       1.303000 0.6093000       2.757000      0.7992000      -1.453000       1.005000
  1 1 1      26   16   26 o    2.600000      0.7554000       2.208000 0.9915000       2.992000       1.140000     -0.7834000       1.511000
  1 1 1      26   17    0 o    7.037000      0.3119000       7.008000 0.4575000       7.067000      0.4240000     -0.5885000E-01  0.6238000
  1 1 1      26   17    1 o    13.27000      0.2687000       12.95000 0.3822000       13.58000      0.3778000     -0.6299000      0.5374000
  1 1 1      26   17    2 o    10.23000      0.2695000       10.44000 0.3933000       10.02000      0.3684000      0.4198000      0.5389000
  1 1 1      26   17    3 o    7.171000      0.3016000       7.348000 0.4441000       6.994000      0.4083000      0.3548000      0.6032000
  1 1 1      26   17    4 o    2.460000      0.6540000       2.847000 1.002000       2.073000      0.8406000      0.7743000       1.308000
  1 1 1      26   17    5 o    7.310000      0.4003000       7.231000 0.6181000       7.389000      0.5088000     -0.1582000      0.8006000
  1 1 1      26   17    6 o    4.353000      0.4167000       4.398000 0.6308000       4.308000      0.5447000      0.9020000E-01  0.8334000
  1 1 1      26   17    7 o    2.592000      0.5606000       2.367000 0.8322000       2.818000      0.7514000     -0.4507000       1.121000
  1 1 1      26   17    8 o    2.077000      0.6409000       2.076000 0.8907000       2.077000      0.9217000     -0.8278000E-03   1.282000
  1 1 1      26   17    9 f    7.039000      0.4328000       7.369000 0.5543000       6.708000      0.6648000      0.6610000      0.8656000
  1 1 1      26   17   10 o    14.21000      0.2538000       14.05000 0.3611000       14.36000      0.3568000     -0.3090000      0.5076000
  1 1 1      26   17   11 o    13.89000      0.2506000       14.07000 0.3594000       13.70000      0.3492000      0.3731000      0.5011000
  1 1 1      26   17   12 o    2.783000      0.5301000       2.606000 0.8106000       2.959000      0.6832000     -0.3526000       1.060000
  1 1 1      26   17   13 o    2.487000      0.5393000       2.550000 0.8263000       2.425000      0.6933000      0.1249000       1.079000
  1 1 1      26   17   14 o    3.338000      0.4597000       3.366000 0.7107000       3.310000      0.5833000      0.5573000E-01  0.9194000
  1 1 1      26   17   15 o    9.342000      0.2318000       9.036000 0.3443000       9.648000      0.3105000     -0.6119000      0.4637000
  1 1 1      26   17   16 o    4.180000      0.3473000       4.221000 0.5285000       4.138000      0.4507000      0.8323000E-01  0.6946000
  1 1 1      26   17   17 o    4.155000      0.3517000       3.841000 0.5633000       4.469000      0.4211000     -0.6279000      0.7033000
  1 1 1      26   17   18 o    3.267000      0.4101000       2.632000 0.7037000       3.903000      0.4214000      -1.271000      0.8202000
  1 1 1      26   17   19 o    9.407000      0.2058000       9.346000 0.2958000       9.469000      0.2863000     -0.1233000      0.4116000
  1 1 1      26   17   20 o    5.420000      0.2500000       5.497000 0.3657000       5.342000      0.3409000      0.1555000      0.4999000
  1 1 1      26   17   21 o    2.296000      0.4771000       1.923000 0.7045000       2.670000      0.6436000     -0.7476000      0.9542000
  1 1 1      26   17   22 o    3.294000      0.4027000       2.996000 0.6197000       3.593000      0.5145000     -0.5971000      0.8055000
  1 1 1      26   17   23 o    3.800000      0.4146000       4.653000 0.4317000       2.947000      0.7079000       1.707000      0.8291000
  1 1 1      26   17   24 o    2.966000      0.4997000       3.385000 0.6067000       2.547000      0.7940000      0.8374000      0.9993000
  1 1 1      26   17   25 o    2.426000      0.5445000       2.761000 0.7326000       2.091000      0.8057000      0.6699000       1.089000
  1 1 1      26   17   26 o    2.311000      0.5276000       3.138000 0.7988000       1.484000      0.6894000       1.654000       1.055000
  1 1 1      26   18    0 o    2.631000      0.5463000       3.572000 0.7960000       1.689000      0.7486000       1.882000       1.093000
  1 1 1      26   18    1 o    6.548000      0.3336000       6.340000 0.4979000       6.756000      0.4441000     -0.4167000      0.6672000
  1 1 1      26   18    2 o    3.728000      0.5153000       3.749000 0.7697000       3.707000      0.6854000      0.4200000E-01   1.031000
  1 1 1      26   18    3 o    7.344000      0.2938000       7.522000 0.4240000       7.165000      0.4069000      0.3570000      0.5877000
  1 1 1      26   18    4 o    7.908000      0.2826000       7.849000 0.4157000       7.967000      0.3829000     -0.1178000      0.5652000
  1 1 1      26   18    5 o    7.045000      0.4006000       7.374000 0.6129000       6.715000      0.5161000      0.6587000      0.8012000
  1 1 1      26   18    6 o    5.015000      0.5090000       4.524000 0.8604000       5.507000      0.5441000     -0.9828000       1.018000
  1 1 1      26   18    7 o    5.206000      0.3618000       4.914000 0.5617000       5.498000      0.4561000     -0.5838000      0.7236000
  1 1 1      26   18    8 o    2.348000      0.5703000       2.693000 0.8478000       2.003000      0.7631000      0.6902000       1.141000
  1 1 1      26   18    9 o    5.332000      0.5576000       6.272000 0.6303000       4.393000      0.9201000       1.878000       1.115000
  1 1 1      26   18   10 o    12.39000      0.3650000       12.67000 0.4991000       12.12000      0.5328000      0.5502000      0.7301000
  1 1 1      26   18   11 o    6.205000      0.2946000       6.663000 0.4293000       5.747000      0.4036000      0.9166000      0.5892000
  1 1 1      26   18   12 o    4.250000      0.3767000       4.682000 0.5292000       3.817000      0.5364000      0.8655000      0.7535000
  1 1 1      26   18   13 o    5.339000      0.3063000       5.324000 0.4696000       5.354000      0.3934000     -0.2983000E-01  0.6126000
  1 1 1      26   18   14 o    6.357000      0.2694000       6.295000 0.4078000       6.419000      0.3521000     -0.1232000      0.5388000
  1 1 1      26   18   15 o    1.680000      0.4861000       2.093000 0.7772000       1.267000      0.5842000      0.8259000      0.9723000
  1 1 1      26   18   16 o    5.163000      0.2986000       5.230000 0.4589000       5.097000      0.3822000      0.1326000      0.5972000
  1 1 1      26   18   17 o    5.217000      0.2748000       5.330000 0.4133000       5.104000      0.3623000      0.2267000      0.5496000
  1 1 1      26   18   18 o    6.443000      0.2312000       6.429000 0.3379000       6.458000      0.3155000     -0.2829000E-01  0.4623000
  1 1 1      26   18   19 o    4.214000      0.3341000       3.640000 0.5402000       4.788000      0.3935000      -1.149000      0.6683000
  1 1 1      26   18   20 o    4.176000      0.3262000       4.410000 0.4671000       3.942000      0.4554000      0.4684000      0.6523000
  1 1 1      26   18   21 o    1.540000      0.4715000       1.616000 0.6877000       1.464000      0.6452000      0.1521000      0.9430000
  1 1 1      26   18   22 o    2.590000      0.5098000       2.357000 0.7526000       2.822000      0.6880000     -0.4651000       1.020000
  1 1 1      26   18   23 o    1.489000      0.4678000       1.481000 0.6570000       1.497000      0.6662000     -0.1589000E-01  0.9356000
  1 1 1      26   18   24 o    4.418000      0.5341000       4.418000 0.5341000                  ?              ?              ?              ?
  1 1 1      26   18   25 o    3.261000      0.5292000       3.345000 0.6939000       3.177000      0.7992000      0.1675000       1.058000
  1 1 1      26   18   26 o    1.949000      0.5570000       2.021000 0.7803000       1.878000      0.7950000      0.1428000       1.114000
  1 1 1      26   19    0 o    7.592000      0.3051000       7.672000 0.4381000       7.512000      0.4246000      0.1594000      0.6101000
  1 1 1      26   19    1 o    4.749000      0.4137000       4.977000 0.5742000       4.522000      0.5958000      0.4553000      0.8274000
  1 1 1      26   19    2 o    4.735000      0.4229000       4.760000 0.6252000       4.709000      0.5698000      0.5064000E-01  0.8459000
  1 1 1      26   19    3 o    14.40000      0.2697000       14.69000 0.3870000       14.10000      0.3756000      0.5912000      0.5394000
  1 1 1      26   19    4 o    6.355000      0.3204000       6.298000 0.4751000       6.412000      0.4300000     -0.1144000      0.6408000
  1 1 1      26   19    5 o    6.937000      0.3109000       6.462000 0.4883000       7.411000      0.3851000     -0.9488000      0.6219000
  1 1 1      26   19    6 o    9.527000      0.3513000       8.772000 0.5513000       10.28000      0.4355000      -1.509000      0.7025000
  1 1 1      26   19    7 o    10.37000      0.3464000       9.908000 0.5236000       10.83000      0.4537000     -0.9219000      0.6929000
  1 1 1      26   19    8 o    1.631000      0.4964000       1.501000 0.6906000       1.761000      0.7131000     -0.2598000      0.9927000
  1 1 1      26   19    9 o    6.357000      0.2921000       6.161000 0.4469000       6.554000      0.3764000     -0.3935000      0.5843000
  1 1 1      26   19   10 o    6.471000      0.2896000       6.764000 0.4160000       6.178000      0.4031000      0.5860000      0.5793000
  1 1 1      26   19   11 o    5.906000      0.5011000       5.185000 0.7255000       6.627000      0.6914000      -1.441000       1.002000
  1 1 1      26   19   12 o    2.478000      0.7058000       2.406000 0.9595000       2.550000       1.035000     -0.1446000       1.412000
  1 1 1      26   19   13 o    3.313000      0.4761000       2.905000 0.7829000       3.721000      0.5421000     -0.8162000      0.9523000
  1 1 1      26   19   14 o    7.450000      0.2453000       7.200000 0.3652000       7.701000      0.3275000     -0.5009000      0.4905000
  1 1 1      26   19   15 o    7.165000      0.2471000       6.951000 0.3696000       7.380000      0.3281000     -0.4296000      0.4942000
  1 1 1      26   19   16 o    6.799000      0.2516000       6.741000 0.3819000       6.857000      0.3276000     -0.1153000      0.5032000
  1 1 1      26   19   17 o    3.677000      0.3692000       3.546000 0.5912000       3.807000      0.4426000     -0.2610000      0.7385000
  1 1 1      26   19   18 o    4.369000      0.3166000       4.450000 0.4480000       4.288000      0.4475000      0.1617000      0.6332000
  1 1 1      26   19   19 o    4.884000      0.2940000       4.755000 0.4370000       5.013000      0.3935000     -0.2581000      0.5881000
  1 1 1      26   19   20 o    4.447000      0.3305000       4.775000 0.4481000       4.118000      0.4860000      0.6571000      0.6611000
  1 1 1      26   19   21 o    1.594000      0.4693000       1.188000 0.5723000       2.001000      0.7440000     -0.8130000      0.9387000
  1 1 1      26   19   22 o    4.004000      0.4170000       4.286000 0.5580000       3.722000      0.6197000      0.5635000      0.8339000
  1 1 1      26   19   23 o    1.806000      0.5264000       1.862000 0.7561000       1.750000      0.7325000      0.1118000       1.053000
  1 1 1      26   19   24 o    2.908000      0.8167000       2.908000 0.8167000                  ?              ?              ?              ?
  1 1 1      26   19   25 o    2.999000      0.5906000       2.781000 0.7801000       3.218000      0.8869000     -0.4368000       1.181000
  1 1 1      26   19   26 o    1.909000      0.8062000                  ?       ?   1.909000      0.8062000                  ?              ?
  1 1 1      26   20    0 o    1.500000      0.4874000       1.281000 0.6271000       1.718000      0.7465000     -0.4369000      0.9749000
  1 1 1      26   20    1 o    10.92000      0.2642000       10.69000 0.3759000       11.15000      0.3714000     -0.4639000      0.5284000
  1 1 1      26   20    2 o    3.533000      0.5440000       3.051000 0.8687000       4.014000      0.6551000     -0.9634000       1.088000
  1 1 1      26   20    3 o    2.761000      0.5887000       3.050000 0.8877000       2.473000      0.7734000      0.5770000       1.177000
  1 1 1      26   20    4 o    5.058000      0.3904000       5.021000 0.5887000       5.095000      0.5130000     -0.7411000E-01  0.7809000
  1 1 1      26   20    5 o    7.500000      0.2906000       7.577000 0.4278000       7.423000      0.3934000      0.1530000      0.5812000
  1 1 1      26   20    6 o    4.878000      0.4066000       4.501000 0.6525000       5.255000      0.4854000     -0.7538000      0.8132000
  1 1 1      26   20    7 o    2.406000      0.5705000       2.900000 0.8496000       1.912000      0.7617000      0.9876000       1.141000
  1 1 1      26   20    8 o    3.600000      0.5823000       2.782000 1.010000       4.418000      0.5792000      -1.636000       1.165000
  1 1 1      26   20    9 f    5.613000      0.4252000       5.446000 0.7011000       5.780000      0.4813000     -0.3340000      0.8504000
  1 1 1      26   20   10 o    1.540000      0.4893000       1.783000 0.7678000       1.296000      0.6068000      0.4864000      0.9787000
  1 1 1      26   20   11 o    5.700000      0.3078000       5.714000 0.4762000       5.686000      0.3900000      0.2783000E-01  0.6155000
  1 1 1      26   20   12 o    4.332000      0.3709000       4.221000 0.5703000       4.443000      0.4745000     -0.2224000      0.7419000
  1 1 1      26   20   13 o    2.740000      0.7161000       2.681000 0.9855000       2.798000       1.039000     -0.1172000       1.432000
  1 1 1      26   20   14 o    8.055000      0.4090000       8.453000 0.5300000       7.656000      0.6231000      0.7969000      0.8180000
  1 1 1      26   20   15 o    6.695000      0.2524000       6.508000 0.3886000       6.882000      0.3222000     -0.3740000      0.5048000
  1 1 1      26   20   16 o    6.681000      0.2399000       6.497000 0.3629000       6.865000      0.3139000     -0.3673000      0.4798000
  1 1 1      26   20   17 o    2.736000      0.4532000       2.154000 0.7368000       3.318000      0.5278000      -1.164000      0.9063000
  1 1 1      26   20   18 o    3.877000      0.3612000       3.843000 0.5418000       3.912000      0.4778000     -0.6908000E-01  0.7224000
  1 1 1      26   20   19 o    6.466000      0.2476000       6.778000 0.3489000       6.154000      0.3514000      0.6242000      0.4952000
  1 1 1      26   20   20 o    5.751000      0.4577000       6.301000 0.3938000       5.201000      0.8263000       1.100000      0.9153000
  1 1 1      26   20   21 o    3.302000      0.4731000       3.250000 0.6755000       3.355000      0.6625000     -0.1052000      0.9461000
  1 1 1      26   20   22 o    3.284000      0.5109000       3.843000 0.6218000       2.726000      0.8108000       1.117000       1.022000
  1 1 1      26   20   23 o    2.758000      0.5508000       3.265000 0.7195000       2.250000      0.8343000       1.015000       1.102000
  1 1 1      26   20   24 o    1.739000      0.5380000       1.868000 0.7864000       1.609000      0.7344000      0.2592000       1.076000
  1 1 1      26   20   25 o    2.093000      0.5994000       2.082000 0.8255000       2.104000      0.8692000     -0.2240000E-01   1.199000
  1 1 1      26   21    0 o    6.983000      0.3273000       7.373000 0.4703000       6.592000      0.4552000      0.7801000      0.6545000
  1 1 1      26   21    1 f    7.184000      0.3156000       6.746000 0.4783000       7.621000      0.4117000     -0.8749000      0.6311000
  1 1 1      26   21    2 o    10.57000      0.2716000       10.59000 0.3951000       10.55000      0.3729000      0.3792000E-01  0.5433000
  1 1 1      26   21    3 o    2.590000      0.6089000       2.582000 0.8984000       2.598000      0.8221000     -0.1601000E-01   1.218000
  1 1 1      26   21    4 f    7.823000      0.2797000       7.709000 0.4257000       7.936000      0.3630000     -0.2267000      0.5595000
  1 1 1      26   21    5 o    7.067000      0.3042000       6.894000 0.4576000       7.240000      0.4010000     -0.3455000      0.6085000
  1 1 1      26   21    6 o    1.935000      0.5434000       1.598000 0.7320000       2.272000      0.8034000     -0.6743000       1.087000
  1 1 1      26   21    7 f    4.327000      0.4305000       4.045000 0.6845000       4.609000      0.5223000     -0.5644000      0.8610000
  1 1 1      26   21    8 o    4.034000      0.4353000       4.301000 0.6192000       3.767000      0.6119000      0.5346000      0.8706000
  1 1 1      26   21    9 o    5.277000      0.3455000       5.474000 0.5135000       5.080000      0.4623000      0.3934000      0.6909000
  1 1 1      26   21   10 o    2.950000      0.6248000       3.777000 0.9655000       2.124000      0.7932000       1.653000       1.250000
  1 1 1      26   21   11 o    3.007000      0.6280000       3.279000 0.9815000       2.735000      0.7837000      0.5443000       1.256000
  1 1 1      26   21   12 o    6.583000      0.2854000       6.707000 0.4343000       6.460000      0.3704000      0.2476000      0.5708000
  1 1 1      26   21   13 o    3.354000      0.4683000       3.359000 0.7301000       3.350000      0.5865000      0.9293000E-02  0.9365000
  1 1 1      26   21   14 o    4.066000      0.3844000       4.370000 0.5519000       3.762000      0.5353000      0.6079000      0.7689000
  1 1 1      26   21   15 o    5.119000      0.5503000       5.065000 0.7097000       5.172000      0.8413000     -0.1064000       1.101000
  1 1 1      26   21   16 o    6.166000      0.4795000       6.598000 0.5768000       5.735000      0.7661000      0.8638000      0.9590000
  1 1 1      26   21   17 o    3.017000      0.6828000       3.631000 0.9170000       2.404000       1.012000       1.228000       1.366000
  1 1 1      26   21   18 o    3.615000      0.4281000       3.426000 0.6656000       3.805000      0.5385000     -0.3799000      0.8562000
  1 1 1      26   21   19 o    7.515000      0.2494000       7.274000 0.3628000       7.756000      0.3423000     -0.4822000      0.4988000
  1 1 1      26   21   20 f    4.248000      0.3869000       4.525000 0.5011000       3.972000      0.5896000      0.5528000      0.7738000
  1 1 1      26   21   21 o    2.151000      0.5671000       2.383000 0.8171000       1.918000      0.7867000      0.4651000       1.134000
  1 1 1      26   21   22 o    1.646000      0.5162000       1.777000 0.7575000       1.516000      0.7016000      0.2608000       1.032000
  1 1 1      26   21   23 f    3.814000      0.5337000       4.482000 0.5828000       3.147000      0.8942000       1.335000       1.067000
  1 1 1      26   21   24 o    2.604000      0.6208000       2.911000 0.8566000       2.296000      0.8987000      0.6146000       1.242000
  1 1 1      26   21   25 o    1.961000      0.5902000       2.106000 0.8483000       1.816000      0.8209000      0.2900000       1.180000
  1 1 1      26   22    0 o    15.70000      0.2873000       15.69000 0.4133000       15.71000      0.3992000     -0.2546000E-01  0.5746000
  1 1 1      26   22    1 o    5.279000      0.3893000       5.350000 0.5593000       5.208000      0.5418000      0.1420000      0.7787000
  1 1 1      26   22    2 o    5.340000      0.3857000       5.482000 0.5564000       5.199000      0.5341000      0.2823000      0.7713000
  1 1 1      26   22    3 o    8.257000      0.2937000       8.360000 0.4278000       8.155000      0.4025000      0.2048000      0.5874000
  1 1 1      26   22    4 o    6.894000      0.3083000       7.123000 0.4552000       6.664000      0.4158000      0.4590000      0.6165000
  1 1 1      26   22    5 o    3.298000      0.5247000       3.561000 0.7842000       3.034000      0.6972000      0.5268000       1.049000
  1 1 1      26   22    6 f    6.252000      0.3246000       6.423000 0.4888000       6.081000      0.4273000      0.3421000      0.6492000
  1 1 1      26   22    7 o    13.75000      0.2597000       13.66000 0.3706000       13.83000      0.3639000     -0.1769000      0.5194000
  1 1 1      26   22    8 o    15.13000      0.2667000       15.02000 0.3809000       15.25000      0.3735000     -0.2311000      0.5335000
  1 1 1      26   22    9 o    8.901000      0.2584000       8.955000 0.3876000       8.847000      0.3420000      0.1079000      0.5169000
  1 1 1      26   22   10 o    5.861000      0.3172000       6.129000 0.4761000       5.592000      0.4192000      0.5368000      0.6343000
  1 1 1      26   22   11 o    6.881000      0.2863000       6.637000 0.4326000       7.124000      0.3750000     -0.4864000      0.5725000
  1 1 1      26   22   12 o    4.258000      0.5134000       4.010000 0.8877000       4.505000      0.5160000     -0.4944000       1.027000
  1 1 1      26   22   13 o    10.39000      0.3124000       9.632000 0.4748000       11.14000      0.4061000      -1.510000      0.6248000
  1 1 1      26   22   14 o    9.775000      0.2870000       9.889000 0.4372000       9.660000      0.3720000      0.2295000      0.5740000
  1 1 1      26   22   15 o    9.473000      0.2267000       9.412000 0.3293000       9.533000      0.3116000     -0.1209000      0.4534000
  1 1 1      26   22   16 o    8.311000      0.2409000       8.478000 0.3447000       8.144000      0.3367000      0.3339000      0.4818000
  1 1 1      26   22   17 o    7.496000      0.2459000       7.181000 0.3656000       7.811000      0.3290000     -0.6304000      0.4919000
  1 1 1      26   22   18 o    4.013000      0.4959000       4.172000 0.8540000       3.853000      0.5042000      0.3198000      0.9917000
  1 1 1      26   22   19 o    2.580000      0.7211000       2.255000 0.9250000       2.906000       1.106000     -0.6502000       1.442000
  1 1 1      26   22   20 o    3.177000      0.7239000       3.068000 0.9482000       3.286000       1.094000     -0.2185000       1.448000
  1 1 1      26   22   21 o    3.392000      0.7164000       2.959000 0.9583000       3.824000       1.065000     -0.8648000       1.433000
  1 1 1      26   22   22 o    3.561000      0.6554000       2.728000 0.9410000       4.394000      0.9125000      -1.666000       1.311000
  1 1 1      26   22   23 o    1.669000      0.5361000       1.506000 0.7020000       1.831000      0.8104000     -0.3250000       1.072000
  1 1 1      26   22   24 o    3.732000      0.5802000       4.333000 0.6904000       3.131000      0.9326000       1.202000       1.160000
  1 1 1      26   23    0 o    4.693000      0.4522000       4.925000 0.6825000       4.460000      0.5935000      0.4649000      0.9044000
  1 1 1      26   23    1 o    8.865000      0.2884000       8.617000 0.4224000       9.114000      0.3928000     -0.4967000      0.5768000
  1 1 1      26   23    2 o    1.811000      0.5586000       2.041000 0.8527000       1.581000      0.7217000      0.4605000       1.117000
  1 1 1      26   23    3 f    5.307000      0.3840000       5.418000 0.5872000       5.196000      0.4949000      0.2227000      0.7679000
  1 1 1      26   23    4 o    2.048000      0.5819000       2.342000 0.8925000       1.755000      0.7470000      0.5878000       1.164000
  1 1 1      26   23    5 o    7.348000      0.2936000       7.323000 0.4442000       7.373000      0.3839000     -0.5066000E-01  0.5871000
  1 1 1      26   23    6 o    8.722000      0.2733000       8.467000 0.4047000       8.978000      0.3674000     -0.5112000      0.5466000
  1 1 1      26   23    7 o    5.483000      0.3452000       5.799000 0.5126000       5.166000      0.4624000      0.6331000      0.6903000
  1 1 1      26   23    8 o    5.233000      0.3510000       5.436000 0.5211000       5.030000      0.4703000      0.4053000      0.7019000
  1 1 1      26   23    9 o    4.958000      0.3714000       4.825000 0.5803000       5.091000      0.4638000     -0.2656000      0.7429000
  1 1 1      26   23   10 o    5.389000      0.3316000       5.935000 0.4856000       4.843000      0.4517000       1.093000      0.6632000
  1 1 1      26   23   11 o    11.97000      0.2449000       12.23000 0.3531000       11.71000      0.3393000      0.5264000      0.4897000
  1 1 1      26   23   12 o    10.01000      0.2440000       10.11000 0.3501000       9.923000      0.3399000      0.1827000      0.4879000
  1 1 1      26   23   13 o    8.161000      0.2442000       8.103000 0.3612000       8.218000      0.3288000     -0.1153000      0.4884000
  1 1 1      26   23   14 o    5.627000      0.2938000       5.619000 0.4423000       5.634000      0.3867000     -0.1500000E-01  0.5875000
  1 1 1      26   23   15 o    8.832000      0.2999000       8.306000 0.4551000       9.358000      0.3908000      -1.053000      0.5999000
  1 1 1      26   23   16 o    2.194000      0.5968000       2.242000 0.9008000       2.147000      0.7831000      0.9569000E-01   1.194000
  1 1 1      26   23   17 o    2.269000      0.5994000       2.210000 0.8985000       2.327000      0.7936000     -0.1166000       1.199000
  1 1 1      26   23   18 o    1.814000      0.5295000       1.720000 0.7257000       1.909000      0.7712000     -0.1899000       1.059000
  1 1 1      26   23   19 o    3.484000      0.5029000       2.917000 0.7985000       4.051000      0.6118000      -1.133000       1.006000
  1 1 1      26   23   20 o    4.191000      0.4636000       4.077000 0.6519000       4.305000      0.6595000     -0.2278000      0.9273000
  1 1 1      26   23   21 o    4.527000      0.4411000       4.710000 0.5915000       4.345000      0.6546000      0.3654000      0.8822000
  1 1 1      26   23   22 o    2.420000      0.6163000       2.056000 0.8228000       2.784000      0.9178000     -0.7276000       1.233000
  1 1 1      26   23   23 o    2.233000      0.6400000       2.221000 0.9210000       2.244000      0.8890000     -0.2240000E-01   1.280000
  1 1 1      26   23   24 o    2.543000      0.7077000       2.619000 0.9809000       2.466000       1.020000      0.1534000       1.415000
  1 1 1      26   24    0 o    3.638000      0.5617000       3.032000 0.9381000       4.244000      0.6180000      -1.213000       1.123000
  1 1 1      26   24    1 o    8.653000      0.2979000       8.127000 0.4494000       9.179000      0.3912000      -1.052000      0.5958000
  1 1 1      26   24    2 o    2.771000      0.5809000       3.541000 0.8423000       2.002000      0.8001000       1.539000       1.162000
  1 1 1      26   24    3 o    7.516000      0.3080000       7.330000 0.4773000       7.701000      0.3893000     -0.3702000      0.6159000
  1 1 1      26   24    4 o    2.579000      0.5714000       3.241000 0.8341000       1.917000      0.7812000       1.324000       1.143000
  1 1 1      26   24    5 o    8.805000      0.2749000       8.575000 0.4177000       9.034000      0.3574000     -0.4584000      0.5497000
  1 1 1      26   24    6 o    3.987000      0.5007000       3.224000 0.8582000       4.750000      0.5159000      -1.525000       1.001000
  1 1 1      26   24    7 o    5.577000      0.3633000       5.326000 0.5618000       5.829000      0.4607000     -0.5031000      0.7265000
  1 1 1      26   24    8 o    4.596000      0.4044000       4.626000 0.6052000       4.567000      0.5366000      0.5959000E-01  0.8089000
  1 1 1      26   24    9 o    6.018000      0.3172000       6.358000 0.4629000       5.678000      0.4337000      0.6799000      0.6343000
  1 1 1      26   24   10 o    4.154000      0.4525000       3.632000 0.7496000       4.676000      0.5070000      -1.044000      0.9050000
  1 1 1      26   24   11 o    9.357000      0.2542000       8.866000 0.3739000       9.849000      0.3446000     -0.9829000      0.5084000
  1 1 1      26   24   12 o    9.421000      0.2347000       9.650000 0.3382000       9.192000      0.3255000      0.4582000      0.4693000
  1 1 1      26   24   13 o    4.667000      0.3356000       4.752000 0.4927000       4.583000      0.4560000      0.1689000      0.6713000
  1 1 1      26   24   14 o    7.143000      0.2615000       6.866000 0.3829000       7.420000      0.3562000     -0.5539000      0.5229000
  1 1 1      26   24   15 o    4.530000      0.3838000       3.952000 0.6069000       5.108000      0.4700000      -1.156000      0.7676000
  1 1 1      26   24   16 o    3.130000      0.5320000       3.298000 0.7581000       2.963000      0.7466000      0.3351000       1.064000
  1 1 1      26   24   17 o    1.684000      0.5221000       1.527000 0.6980000       1.841000      0.7768000     -0.3141000       1.044000
  1 1 1      26   24   18 o    2.029000      0.5508000       2.460000 0.8296000       1.598000      0.7248000      0.8619000       1.102000
  1 1 1      26   24   19 o    3.561000      0.6877000       3.654000 1.007000       3.468000      0.9365000      0.1862000       1.375000
  1 1 1      26   24   20 o    3.608000      0.7230000       3.238000 1.118000       3.978000      0.9170000     -0.7400000       1.446000
  1 1 1      26   24   21 o    4.046000      0.7312000       3.774000 1.146000       4.318000      0.9090000     -0.5440000       1.462000
  1 1 1      26   24   22 f    3.276000      0.8015000       2.771000 1.136000       3.780000       1.131000      -1.009000       1.603000
  1 1 1      26   24   23 o    2.381000      0.7033000       2.450000 1.081000       2.313000      0.8999000      0.1366000       1.407000
  1 1 1      26   25    0 o    3.221000      0.5878000       2.547000 0.9548000       3.896000      0.6858000      -1.349000       1.176000
  1 1 1      26   25    1 o    1.897000      0.5779000       2.110000 0.8905000       1.684000      0.7368000      0.4255000       1.156000
  1 1 1      26   25    2 o    3.415000      0.5541000       4.246000 0.7255000       2.584000      0.8376000       1.661000       1.108000
  1 1 1      26   25    3 o    6.656000      0.3493000       6.425000 0.5319000       6.888000      0.4527000     -0.4634000      0.6985000
  1 1 1      26   25    4 o    7.264000      0.3152000       7.583000 0.4571000       6.945000      0.4341000      0.6386000      0.6304000
  1 1 1      26   25    5 o    11.73000      0.2683000       11.69000 0.3966000       11.76000      0.3615000     -0.6444000E-01  0.5367000
  1 1 1      26   25    6 o    1.828000      0.5298000       1.419000 0.6791000       2.236000      0.8134000     -0.8175000       1.060000
  1 1 1      26   25    7 o    4.291000      0.4411000       4.239000 0.6645000       4.343000      0.5804000     -0.1038000      0.8823000
  1 1 1      26   25    8 o    4.035000      0.4604000       3.872000 0.7389000       4.198000      0.5495000     -0.3259000      0.9208000
  1 1 1      26   25    9 o    1.751000      0.5273000       1.765000 0.7645000       1.736000      0.7266000      0.2853000E-01   1.055000
  1 1 1      26   25   10 o    5.310000      0.3513000       5.369000 0.5229000       5.252000      0.4693000      0.1168000      0.7026000
  1 1 1      26   25   11 o    2.777000      0.5355000       3.001000 0.7594000       2.553000      0.7552000      0.4485000       1.071000
  1 1 1      26   25   12 f    5.080000      0.3429000       4.723000 0.5380000       5.438000      0.4253000     -0.7151000      0.6858000
  1 1 1      26   25   13 o    3.635000      0.4849000       2.454000 0.8299000       4.816000      0.5019000      -2.362000      0.9698000
  1 1 1      26   25   14 o    7.187000      0.2746000       7.020000 0.3957000       7.353000      0.3809000     -0.3328000      0.5492000
  1 1 1      26   25   15 o    1.644000      0.5096000       1.734000 0.7475000       1.553000      0.6927000      0.1810000       1.019000
  1 1 1      26   25   16 o    3.942000      0.4729000       4.712000 0.5621000       3.171000      0.7607000       1.540000      0.9458000
  1 1 1      26   25   17 o    1.848000      0.5437000       2.169000 0.8300000       1.527000      0.7025000      0.6413000       1.087000
  1 1 1      26   25   18 f    3.192000      0.5624000       3.819000 0.7200000       2.565000      0.8641000       1.255000       1.125000
  1 1 1      26   25   19 o    4.257000      0.4826000       4.215000 0.6868000       4.299000      0.6780000     -0.8421000E-01  0.9651000
  1 1 1      26   25   20 o    4.674000      0.4744000       4.191000 0.7385000       5.158000      0.5957000     -0.9669000      0.9488000
  1 1 1      26   25   21 o    3.164000      0.6100000       3.847000 0.7890000       2.481000      0.9305000       1.366000       1.220000
  1 1 1      26   25   22 o    3.616000      0.6472000       4.123000 0.8083000       3.110000       1.011000       1.013000       1.294000
  1 1 1      26   26    0 o    5.124000      0.6696000       5.163000 0.6473000       5.086000       1.172000      0.7704000E-01   1.339000
  1 1 1      26   26    1 o    2.178000      0.6219000       2.280000 0.9231000       2.076000      0.8337000      0.2044000       1.244000
  1 1 1      26   26    2 o    3.318000      0.5847000       4.256000 0.8182000       2.381000      0.8355000       1.875000       1.169000
  1 1 1      26   26    3 o    8.225000      0.2976000       7.979000 0.4398000       8.472000      0.4010000     -0.4925000      0.5952000
  1 1 1      26   26    4 o    9.591000      0.2809000       9.321000 0.4186000       9.861000      0.3747000     -0.5395000      0.5618000
  1 1 1      26   26    5 o    5.531000      0.3890000       5.540000 0.5873000       5.521000      0.5104000      0.1889000E-01  0.7781000
  1 1 1      26   26    6 o    7.661000      0.3051000       7.674000 0.4554000       7.649000      0.4063000      0.2471000E-01  0.6103000
  1 1 1      26   26    7 o    4.570000      0.4784000       3.319000 0.8425000       5.821000      0.4537000      -2.502000      0.9569000
  1 1 1      26   26    8 o    2.766000      0.5871000       2.614000 0.8770000       2.918000      0.7809000     -0.3042000       1.174000
  1 1 1      26   26    9 o    4.260000      0.4155000       4.378000 0.5946000       4.142000      0.5807000      0.2359000      0.8311000
  1 1 1      26   26   10 o    4.256000      0.4025000       4.426000 0.5761000       4.085000      0.5622000      0.3410000      0.8049000
  1 1 1      26   26   11 o    4.895000      0.3644000       4.963000 0.5378000       4.827000      0.4918000      0.1363000      0.7287000
  1 1 1      26   26   12 o    4.584000      0.3952000       4.184000 0.6136000       4.983000      0.4983000     -0.7989000      0.7905000
  1 1 1      26   26   13 o    6.002000      0.3085000       5.712000 0.4630000       6.291000      0.4078000     -0.5794000      0.6170000
  1 1 1      26   26   14 o    4.599000      0.4027000       4.407000 0.6077000       4.792000      0.5284000     -0.3854000      0.8053000
  1 1 1      26   26   15 o    5.214000      0.3680000       4.779000 0.5464000       5.648000      0.4930000     -0.8690000      0.7359000
  1 1 1      26   26   16 o    4.568000      0.4339000       4.158000 0.6530000       4.978000      0.5716000     -0.8208000      0.8678000
  1 1 1      26   26   17 o    4.061000      0.5201000       3.482000 0.8204000       4.641000      0.6394000      -1.160000       1.040000
  1 1 1      26   26   18 o    2.246000      0.6115000       2.228000 0.8656000       2.264000      0.8639000     -0.3619000E-01   1.223000
  1 1 1      26   26   19 o    6.203000      0.3653000       6.474000 0.4891000       5.932000      0.5428000      0.5418000      0.7307000
  1 1 1      26   26   20 o    3.272000      0.6124000       3.828000 0.7994000       2.716000      0.9281000       1.112000       1.225000
  1 1 1      26   26   21 o    2.233000      0.6480000       2.313000 0.9206000       2.152000      0.9122000      0.1613000       1.296000
  1 1 1      26   26   22 f    2.660000       1.094000                  ?       ?   2.660000       1.094000                  ?              ?
  1 1 1      26   27    0 f    6.260000      0.6376000       5.397000 0.8875000       7.122000      0.9156000      -1.725000       1.275000
  1 1 1      26   27    1 o    3.939000      0.8044000       4.657000 1.014000       3.220000       1.249000       1.437000       1.609000
  1 1 1      26   27    2 o    5.007000      0.7154000       4.057000 1.056000       5.956000      0.9657000      -1.899000       1.431000
  1 1 1      26   27    3 o    3.256000      0.6215000       3.604000 0.9160000       2.908000      0.8403000      0.6959000       1.243000
  1 1 1      26   27    4 o    3.094000      0.5920000       3.654000 0.8204000       2.535000      0.8536000       1.118000       1.184000
  1 1 1      26   27    5 o    2.129000      0.5979000       2.155000 0.8630000       2.102000      0.8277000      0.5310000E-01   1.196000
  1 1 1      26   27    6 o    5.693000      0.3665000       5.439000 0.5636000       5.947000      0.4687000     -0.5086000      0.7331000
  1 1 1      26   27    7 o    2.731000      0.6022000       2.795000 0.8999000       2.667000      0.8005000      0.1278000       1.204000
  1 1 1      26   27    8 o    1.917000      0.5580000       1.794000 0.7802000       2.041000      0.7980000     -0.2468000       1.116000
  1 1 1      26   27    9 o    4.599000      0.4034000       4.089000 0.6440000       5.109000      0.4860000      -1.020000      0.8068000
  1 1 1      26   27   10 f    3.856000      0.4761000       3.861000 0.6927000       3.851000      0.6534000      0.9781000E-02  0.9523000
  1 1 1      26   27   11 o    2.204000      0.5413000       2.875000 0.8351000       1.532000      0.6889000       1.343000       1.083000
  1 1 1      26   27   12 o    1.923000      0.5504000       1.617000 0.7273000       2.229000      0.8263000     -0.6119000       1.101000
  1 1 1      26   27   13 o    5.779000      0.3545000       5.569000 0.5164000       5.990000      0.4858000     -0.4203000      0.7090000
  1 1 1      26   27   14 o    2.427000      0.5961000       2.588000 0.8557000       2.267000      0.8302000      0.3215000       1.192000
  1 1 1      26   27   15 o    5.475000      0.3835000       5.893000 0.5194000       5.057000      0.5644000      0.8355000      0.7670000
  1 1 1      26   27   16 o    2.130000      0.5881000       2.635000 0.9090000       1.624000      0.7465000       1.011000       1.176000
  1 1 1      26   27   17 o    6.039000      0.3663000       6.174000 0.5045000       5.905000      0.5312000      0.2695000      0.7326000
  1 1 1      26   27   18 o    4.325000      0.5300000       3.568000 0.8533000       5.082000      0.6288000      -1.514000       1.060000
  1 1 1      26   27   19 o    5.327000      0.4407000       5.239000 0.6152000       5.415000      0.6311000     -0.1757000      0.8813000
  1 1 1      26   27   20 o    1.820000      0.5674000       2.185000 0.8893000       1.454000      0.7049000      0.7301000       1.135000
  1 1 1      26   27   21 o    2.501000       1.073000                  ?       ?   2.501000       1.073000                  ?              ?
  1 1 1      26   28    0 o    5.671000      0.4299000       5.836000 0.6054000       5.507000      0.6105000      0.3287000      0.8598000
  1 1 1      26   28    1 o    2.638000      0.6607000       2.673000 0.9627000       2.602000      0.9052000      0.7098000E-01   1.321000
  1 1 1      26   28    2 o    2.009000      0.5937000       1.880000 0.8397000       2.137000      0.8396000     -0.2574000       1.187000
  1 1 1      26   28    3 o    2.459000      0.7315000       2.420000 0.9970000       2.498000       1.071000     -0.7808000E-01   1.463000
  1 1 1      26   28    4 o    2.779000      0.7599000       1.985000 0.8873000       3.574000       1.234000      -1.589000       1.520000
  1 1 1      26   28    5 o    2.886000      0.6042000       2.965000 0.9484000       2.807000      0.7489000      0.1576000       1.208000
  1 1 1      26   28    6 o    5.399000      0.4017000       5.949000 0.5353000       4.848000      0.5990000       1.101000      0.8033000
  1 1 1      26   28    7 o    4.419000      0.4720000       4.048000 0.7769000       4.790000      0.5363000     -0.7423000      0.9441000
  1 1 1      26   28    8 o    5.660000      0.3764000       4.841000 0.6103000       6.479000      0.4406000      -1.638000      0.7528000
  1 1 1      26   28    9 o    2.750000      0.5953000       2.844000 0.8569000       2.657000      0.8266000      0.1874000       1.191000
  1 1 1      26   28   10 o    4.071000      0.4767000       3.843000 0.7330000       4.299000      0.6097000     -0.4554000      0.9535000
  1 1 1      26   28   11 o    2.216000      0.5961000       1.937000 0.8236000       2.494000      0.8620000     -0.5564000       1.192000
  1 1 1      26   28   12 o    1.729000      0.5450000       1.932000 0.8309000       1.525000      0.7054000      0.4068000       1.090000
  1 1 1      26   28   13 o    2.935000      0.6137000       3.021000 0.9036000       2.849000      0.8307000      0.1718000       1.227000
  1 1 1      26   28   14 o    2.387000      0.6151000       2.796000 0.9067000       1.977000      0.8313000      0.8190000       1.230000
  1 1 1      26   28   15 o    2.113000      0.6092000       2.325000 0.9003000       1.900000      0.8208000      0.4248000       1.218000
  1 1 1      26   28   16 o    2.819000      0.6445000       2.974000 0.9221000       2.664000      0.9007000      0.3106000       1.289000
  1 1 1      26   28   17 o    4.356000      0.5176000       4.622000 0.6917000       4.090000      0.7703000      0.5314000       1.035000
  1 1 1      26   28   18 o    5.393000      0.4390000       5.213000 0.6396000       5.574000      0.6015000     -0.3612000      0.8780000
  1 1 1      26   28   19 o    3.044000      0.6542000       3.742000 0.9239000       2.347000      0.9264000       1.395000       1.308000
  1 1 1      26   28   20 o    3.554000       1.206000                  ?       ?   3.554000       1.206000                  ?              ?
  1 1 1      26   29    0 o    2.524000      0.7158000       2.361000 1.067000       2.687000      0.9550000     -0.3258000       1.432000
  1 1 1      26   29    1 o    3.565000      0.7666000       4.175000 1.214000       2.954000      0.9367000       1.221000       1.533000
  1 1 1      26   29    2 o    2.263000      0.5866000       2.935000 0.9202000       1.591000      0.7276000       1.345000       1.173000
  1 1 1      26   29    3 o    2.080000      0.5958000       1.973000 0.8360000       2.187000      0.8490000     -0.2146000       1.192000
  1 1 1      26   29    4 o    2.654000      0.6286000       3.126000 0.9153000       2.181000      0.8617000      0.9455000       1.257000
  1 1 1      26   29    5 o    2.912000      0.6776000       2.934000 1.089000       2.889000      0.8060000      0.4473000E-01   1.355000
  1 1 1      26   29    6 o    3.515000      0.8171000       3.160000 1.074000       3.869000       1.232000     -0.7086000       1.634000
  1 1 1      26   29    7 o    4.440000      0.7822000       4.064000 0.9413000       4.817000       1.250000     -0.7533000       1.564000
  1 1 1      26   29    8 o    6.451000      0.5445000       5.866000 0.4680000       7.036000      0.9833000      -1.170000       1.089000
  1 1 1      26   29    9 o    1.537000      0.5070000       1.424000 0.6868000       1.649000      0.7460000     -0.2242000       1.014000
  1 1 1      26   29   10 f    2.099000      0.6044000       2.305000 0.8998000       1.893000      0.8072000      0.4119000       1.209000
  1 1 1      26   29   11 o    4.238000      0.5056000       3.822000 0.8153000       4.655000      0.5981000     -0.8331000       1.011000
  1 1 1      26   29   12 o    6.424000      0.3674000       5.800000 0.5576000       7.047000      0.4787000      -1.246000      0.7349000
  1 1 1      26   29   13 o    1.710000      0.5476000       2.057000 0.8710000       1.362000      0.6641000      0.6953000       1.095000
  1 1 1      26   29   14 o    2.102000      0.6155000       2.262000 0.8954000       1.941000      0.8448000      0.3212000       1.231000
  1 1 1      26   29   15 o    2.474000      0.6529000       2.701000 0.9590000       2.248000      0.8861000      0.4536000       1.306000
  1 1 1      26   29   16 o    2.311000      0.6374000       2.231000 0.8996000       2.390000      0.9031000     -0.1591000       1.275000
  1 1 1      26   29   17 o    1.907000      0.5935000       2.000000 0.8617000       1.814000      0.8163000      0.1865000       1.187000
  1 1 1      26   29   18 o    2.714000      0.6065000       1.792000 0.8228000       3.636000      0.8912000      -1.845000       1.213000
  1 1 1      26   29   19 o    3.123000       1.244000                  ?       ?   3.123000       1.244000                  ?              ?
  1 1 1      26   30    0 f    2.176000      0.8556000                  ?       ?   2.176000      0.8556000                  ?              ?
  1 1 1      26   30    1 o    2.545000      0.6541000       2.710000 0.9719000       2.380000      0.8756000      0.3305000       1.308000
  1 1 1      26   30    2 o    2.047000      0.6157000       2.089000 0.8876000       2.005000      0.8535000      0.8441000E-01   1.231000
  1 1 1      26   30    3 o    2.838000      0.7183000       2.690000 1.086000       2.986000      0.9403000     -0.2958000       1.437000
  1 1 1      26   30    4 o    3.178000      0.7430000       3.436000 1.122000       2.921000      0.9738000      0.5152000       1.486000
  1 1 1      26   30    5 o    1.798000      0.5555000       1.566000 0.7205000       2.030000      0.8456000     -0.4645000       1.111000
  1 1 1      26   30    6 o    3.217000      0.6223000       2.737000 0.9405000       3.697000      0.8151000     -0.9600000       1.245000
  1 1 1      26   30    7 o    4.076000      0.5516000       4.020000 0.8371000       4.133000      0.7186000     -0.1125000       1.103000
  1 1 1      26   30    8 o    6.733000      0.3523000       6.696000 0.5223000       6.771000      0.4729000     -0.7590000E-01  0.7046000
  1 1 1      26   30    9 o    3.464000      0.8245000       2.903000 1.023000       4.025000       1.293000      -1.122000       1.649000
  1 1 1      26   30   10 o    3.601000      0.8491000       3.320000 1.081000       3.882000       1.310000     -0.5618000       1.698000
  1 1 1      26   30   11 o    4.626000      0.7810000       3.476000 1.174000       5.777000       1.031000      -2.301000       1.562000
  1 1 1      26   30   12 o    3.079000      0.8178000       2.654000 1.090000       3.505000       1.220000     -0.8515000       1.636000
  1 1 1      26   30   13 o    2.290000      0.6085000       2.017000 0.8714000       2.564000      0.8496000     -0.5471000       1.217000
  1 1 1      26   30   14 o    2.766000      0.6644000       2.919000 0.9474000       2.613000      0.9319000      0.3057000       1.329000
  1 1 1      26   30   15 o    2.752000      0.6698000       2.695000 0.9421000       2.809000      0.9522000     -0.1144000       1.340000
  1 1 1      26   30   16 o    2.843000      0.6910000       2.979000 1.003000       2.708000      0.9510000      0.2710000       1.382000
  1 1 1      26   30   17 o    2.431000      0.6180000       1.636000 0.7746000       3.225000      0.9633000      -1.589000       1.236000
  1 1 1      26   31    0 o    3.153000      0.9139000                  ?       ?   3.153000      0.9139000                  ?              ?
  1 1 1      26   31    1 o    2.874000      0.6612000       2.534000 1.004000       3.214000      0.8611000     -0.6799000       1.322000
  1 1 1      26   31    2 o    2.973000      0.6428000       2.671000 0.9734000       3.276000      0.8397000     -0.6050000       1.286000
  1 1 1      26   31    3 o    2.810000      0.6566000       3.203000 0.9662000       2.417000      0.8895000      0.7851000       1.313000
  1 1 1      26   31    4 o    2.169000      0.6215000       2.623000 0.9648000       1.714000      0.7836000      0.9091000       1.243000
  1 1 1      26   31    5 o    4.793000      0.4996000       4.435000 0.7928000       5.151000      0.6082000     -0.7166000      0.9992000
  1 1 1      26   31    6 o    2.833000      0.7567000       3.231000 1.188000       2.434000      0.9378000      0.7962000       1.513000
  1 1 1      26   31    7 o    3.546000      0.7726000       3.632000 1.194000       3.460000      0.9802000      0.1728000       1.545000
  1 1 1      26   31    8 o    3.078000      0.7810000       3.083000 1.185000       3.073000       1.017000      0.9673000E-02   1.562000
  1 1 1      26   31    9 o    2.587000      0.6045000       3.550000 0.9424000       1.624000      0.7574000       1.926000       1.209000
  1 1 1      26   31   10 o    2.977000      0.6018000       2.118000 0.8932000       3.837000      0.8066000      -1.719000       1.204000
  1 1 1      26   31   11 o    7.971000      0.3767000       7.387000 0.4990000       8.555000      0.5646000      -1.168000      0.7535000
  1 1 1      26   31   12 o    4.075000      0.6076000       4.165000 0.8951000       3.985000      0.8220000      0.1797000       1.215000
  1 1 1      26   31   13 o    2.333000      0.6531000       2.556000 0.9722000       2.110000      0.8723000      0.4464000       1.306000
  1 1 1      26   31   14 o    2.912000      0.6216000       2.235000 0.9893000       3.588000      0.7528000      -1.354000       1.243000
  1 1 1      26   31   15 o    4.194000      0.8550000       4.410000 1.097000       3.979000       1.311000      0.4314000       1.710000
  1 1 1      26   31   16 o    2.888000       1.177000                  ?       ?   2.888000       1.177000                  ?              ?
  1 1 1      26   32    0 o    2.112000      0.6887000       1.882000 0.8221000       2.341000       1.105000     -0.4596000       1.377000
  1 1 1      26   32    1 o    2.955000      0.7128000       3.110000 1.030000       2.800000      0.9859000      0.3094000       1.426000
  1 1 1      26   32    2 o    2.237000      0.6299000       1.705000 0.8050000       2.769000      0.9691000      -1.064000       1.260000
  1 1 1      26   32    3 o    2.123000      0.6307000       1.961000 0.8624000       2.286000      0.9206000     -0.3244000       1.261000
  1 1 1      26   32    4 o    3.166000      0.6746000       3.587000 0.9756000       2.745000      0.9320000      0.8417000       1.349000
  1 1 1      26   32    5 o    2.519000      0.6384000       1.972000 0.8850000       3.066000      0.9204000      -1.093000       1.277000
  1 1 1      26   32    6 o    2.273000      0.6465000       2.235000 0.9192000       2.310000      0.9094000     -0.7536000E-01   1.293000
  1 1 1      26   32    7 o    3.492000      0.6636000       4.049000 0.9213000       2.936000      0.9553000       1.113000       1.327000
  1 1 1      26   32    8 o    1.691000      0.5613000       1.789000 0.8315000       1.592000      0.7542000      0.1970000       1.123000
  1 1 1      26   32    9 o    2.103000      0.6211000       1.809000 0.8387000       2.398000      0.9162000     -0.5891000       1.242000
  1 1 1      26   32   10 o    2.615000      0.7518000       3.210000 1.196000       2.019000      0.9108000       1.190000       1.504000
  1 1 1      26   32   11 o    5.104000      0.6948000       5.759000 1.048000       4.450000      0.9121000       1.309000       1.390000
  1 1 1      26   32   12 o    4.338000      0.7917000       5.469000 1.148000       3.208000       1.090000       2.261000       1.583000
  1 1 1      26   32   13 o    3.788000      0.8156000       3.957000 1.257000       3.620000       1.040000      0.3367000       1.631000
  1 1 1      26   32   14 o    3.517000      0.7796000       3.504000 1.249000       3.530000      0.9328000     -0.2561000E-01   1.559000
  1 1 1      26   33    0 o    2.240000      0.6531000       1.962000 0.8766000       2.518000      0.9682000     -0.5561000       1.306000
  1 1 1      26   33    1 o    2.513000      0.6907000       2.224000 0.9459000       2.803000       1.007000     -0.5795000       1.381000
  1 1 1      26   33    2 o    3.530000      0.6848000       3.429000 0.9966000       3.632000      0.9394000     -0.2036000       1.370000
  1 1 1      26   33    3 o    2.344000      0.6589000       2.355000 0.9346000       2.332000      0.9289000      0.2327000E-01   1.318000
  1 1 1      26   33    4 o    3.094000      0.6968000       3.083000 0.9981000       3.104000      0.9728000     -0.2130000E-01   1.394000
  1 1 1      26   33    5 o    2.518000      0.6812000       2.828000 1.032000       2.209000      0.8896000      0.6190000       1.362000
  1 1 1      26   33    6 o    1.797000      0.5842000       2.052000 0.9083000       1.541000      0.7349000      0.5112000       1.168000
  1 1 1      26   33    7 o    2.916000      0.7060000       3.060000 1.010000       2.772000      0.9863000      0.2876000       1.412000
  1 1 1      26   33    8 o    2.491000      0.6909000       2.573000 0.9964000       2.409000      0.9574000      0.1644000       1.382000
  1 1 1      26   33    9 o    2.275000      0.6539000       2.203000 0.9329000       2.347000      0.9165000     -0.1446000       1.308000
  1 1 1      26   33   10 o    2.536000      0.6962000       2.831000 1.033000       2.241000      0.9340000      0.5900000       1.392000
  1 1 1      26   33   11 o    2.435000      0.6685000       3.100000 1.064000       1.771000      0.8095000       1.329000       1.337000
  1 1 1      26   33   12 o    4.081000      0.8749000       3.578000 1.237000       4.585000       1.238000      -1.006000       1.750000
  1 1 1      26   34    0 o    3.603000      0.6613000       2.925000 1.042000       4.281000      0.8148000      -1.356000       1.323000
  1 1 1      26   34    1 o    2.372000      0.6374000       1.624000 0.7855000       3.121000       1.004000      -1.497000       1.275000
  1 1 1      26   34    2 o    4.612000      0.5968000       4.382000 0.9483000       4.841000      0.7249000     -0.4592000       1.194000
  1 1 1      26   34    3 o    2.093000      0.6382000       2.209000 0.9385000       1.978000      0.8651000      0.2312000       1.276000
  1 1 1      26   34    4 o    2.236000      0.6542000       2.297000 0.9579000       2.175000      0.8912000      0.1218000       1.308000
  1 1 1      26   34    5 o    2.444000      0.6888000       2.578000 1.027000       2.310000      0.9184000      0.2675000       1.378000
  1 1 1      26   34    6 o    2.603000      0.6793000       2.049000 0.9174000       3.156000       1.002000      -1.107000       1.359000
  1 1 1      26   34    7 o    2.184000      0.6562000       2.015000 0.8961000       2.353000      0.9588000     -0.3376000       1.312000
  1 1 1      26   34    8 o    2.284000      0.6686000       2.382000 0.9870000       2.185000      0.9022000      0.1969000       1.337000
  1 1 1      26   34    9 o    2.074000      0.6233000       2.549000 0.9862000       1.600000      0.7626000      0.9488000       1.247000
  1 1 1      26   35    0 o    2.841000      0.7334000       2.563000 1.008000       3.119000       1.065000     -0.5559000       1.467000
  1 1 1      26   35    1 o    2.787000       1.027000                  ?       ?   2.787000       1.027000                  ?              ?
  1 1 1      26   35    2 o    3.004000      0.6935000       3.713000 1.005000       2.294000      0.9558000       1.419000       1.387000
  1 1 1      26   35    3 o    3.423000      0.7276000       3.566000 1.027000       3.279000       1.031000      0.2866000       1.455000
  1 1 1      26   35    4 o    2.690000      0.7154000       2.391000 0.9856000       2.989000       1.037000     -0.5982000       1.431000
  1 1 1      26   35    5 o    2.305000       1.064000                  ?       ?   2.305000       1.064000                  ?              ?
  1 1 1      27  -11    0 o    2.211000      0.6004000       1.809000 0.8094000       2.613000      0.8871000     -0.8036000       1.201000
  1 1 1      27  -11    1 o    4.948000      0.4574000       5.384000 0.6201000       4.512000      0.6724000      0.8719000      0.9147000
  1 1 1      27  -11    2 o    4.422000      0.6252000       4.417000 1.057000       4.428000      0.6685000     -0.1042000E-01   1.250000
  1 1 1      27  -11    3 o    7.089000      0.5295000       7.554000 0.6887000       6.625000      0.8044000      0.9283000       1.059000
  1 1 1      27  -11    4 o    3.087000      0.7899000       3.635000 1.166000       2.539000       1.066000       1.096000       1.580000
  1 1 1      27  -10    0 o    3.497000      0.6101000       3.439000 0.9168000       3.555000      0.8051000     -0.1152000       1.220000
  1 1 1      27  -10    1 o    2.604000      0.7161000       2.992000 1.042000       2.217000      0.9825000      0.7758000       1.432000
  1 1 1      27  -10    2 o    3.476000      0.5597000       4.327000 0.7697000       2.625000      0.8129000       1.702000       1.119000
  1 1 1      27  -10    3 o    6.351000      0.5046000       7.365000 0.4758000       5.337000      0.8900000       2.028000       1.009000
  1 1 1      27  -10    4 o    1.943000      0.6275000       2.058000 0.9246000       1.828000      0.8487000      0.2292000       1.255000
  1 1 1      27  -10    5 o    2.299000      0.6893000       2.282000 0.9938000       2.316000      0.9555000     -0.3389000E-01   1.379000
  1 1 1      27  -10    6 o    2.552000      0.6331000       2.485000 0.9024000       2.618000      0.8882000     -0.1335000       1.266000
  1 1 1      27  -10    7 o    3.567000      0.5679000       3.944000 0.7645000       3.191000      0.8399000      0.7526000       1.136000
  1 1 1      27  -10    8 f    2.353000      0.5905000       1.880000 0.8161000       2.826000      0.8536000     -0.9465000       1.181000
  1 1 1      27  -10    9 f    2.733000       1.063000                  ?       ?   2.733000       1.063000                  ?              ?
  1 1 1      27   -9    0 o    2.230000      0.6775000       2.413000 1.026000       2.047000      0.8847000      0.3667000       1.355000
  1 1 1      27   -9    1 o    6.069000      0.3696000       5.693000 0.6036000       6.446000      0.4267000     -0.7525000      0.7392000
  1 1 1      27   -9    2 o    2.507000      0.6721000       2.515000 0.9367000       2.499000      0.9641000      0.1554000E-01   1.344000
  1 1 1      27   -9    3 o    2.612000      0.7238000       2.723000 1.079000       2.501000      0.9649000      0.2215000       1.448000
  1 1 1      27   -9    4 o    5.089000      0.4685000       4.575000 0.6511000       5.603000      0.6737000      -1.028000      0.9369000
  1 1 1      27   -9    5 o    1.868000      0.5669000       1.868000 0.8154000       1.869000      0.7877000     -0.9215000E-03   1.134000
  1 1 1      27   -9    6 o    3.694000      0.5551000       4.142000 0.7388000       3.247000      0.8287000      0.8950000       1.110000
  1 1 1      27   -9    7 o    1.838000      0.5595000       1.785000 0.7901000       1.891000      0.7924000     -0.1064000       1.119000
  1 1 1      27   -9    8 o    1.941000      0.5719000       1.934000 0.8146000       1.948000      0.8029000     -0.1456000E-01   1.144000
  1 1 1      27   -9    9 o    2.559000      0.6074000       2.397000 0.8762000       2.721000      0.8415000     -0.3238000       1.215000
  1 1 1      27   -9   10 o    4.153000      0.4927000       3.782000 0.7734000       4.524000      0.6107000     -0.7423000      0.9854000
  1 1 1      27   -9   11 o    3.247000      0.5785000       3.142000 0.8305000       3.353000      0.8055000     -0.2105000       1.157000
  1 1 1      27   -8    0 o    5.240000      0.4279000       4.883000 0.7109000       5.597000      0.4764000     -0.7147000      0.8558000
  1 1 1      27   -8    1 o    5.276000      0.6043000       4.790000 1.007000       5.761000      0.6683000     -0.9717000       1.209000
  1 1 1      27   -8    2 o    4.181000      0.6604000       3.750000 1.094000       4.611000      0.7395000     -0.8612000       1.321000
  1 1 1      27   -8    3 o    5.672000      0.3771000       5.253000 0.6290000       6.090000      0.4163000     -0.8364000      0.7543000
  1 1 1      27   -8    4 o    5.536000      0.3810000       4.837000 0.6258000       6.234000      0.4346000      -1.397000      0.7619000
  1 1 1      27   -8    5 o    5.339000      0.4069000       4.481000 0.7004000       6.196000      0.4145000      -1.715000      0.8138000
  1 1 1      27   -8    6 o    2.679000      0.6462000       2.285000 0.8654000       3.073000      0.9599000     -0.7882000       1.292000
  1 1 1      27   -8    7 o    2.786000      0.5835000       2.332000 0.8754000       3.239000      0.7718000     -0.9076000       1.167000
  1 1 1      27   -8    8 o    3.731000      0.5265000       3.857000 0.7790000       3.605000      0.7085000      0.2523000       1.053000
  1 1 1      27   -8    9 o    2.772000      0.5985000       2.786000 0.8743000       2.758000      0.8176000      0.2835000E-01   1.197000
  1 1 1      27   -8   10 o    5.198000      0.3794000       4.932000 0.5797000       5.463000      0.4895000     -0.5310000      0.7587000
  1 1 1      27   -8   11 o    3.511000      0.5200000       4.267000 0.6363000       2.756000      0.8226000       1.511000       1.040000
  1 1 1      27   -8   12 o    1.787000      0.5380000       2.044000 0.8148000       1.529000      0.7027000      0.5151000       1.076000
  1 1 1      27   -8   13 o    1.885000      0.5556000       2.034000 0.8167000       1.736000      0.7536000      0.2981000       1.111000
  1 1 1      27   -7    0 o    4.166000      0.6928000       3.969000 1.103000       4.363000      0.8383000     -0.3936000       1.386000
  1 1 1      27   -7    1 o    6.831000      0.3334000       6.745000 0.5287000       6.917000      0.4063000     -0.1719000      0.6668000
  1 1 1      27   -7    2 o    5.299000      0.3914000       4.992000 0.6387000       5.605000      0.4527000     -0.6137000      0.7828000
  1 1 1      27   -7    3 o    4.005000      0.5037000       4.224000 0.7646000       3.787000      0.6559000      0.4376000       1.007000
  1 1 1      27   -7    4 o    9.923000      0.2716000       9.763000 0.4193000       10.08000      0.3453000     -0.3211000      0.5431000
  1 1 1      27   -7    5 f    2.670000      0.5857000       2.736000 0.8990000       2.603000      0.7510000      0.1333000       1.171000
  1 1 1      27   -7    6 o    8.421000      0.2741000       8.109000 0.4292000       8.734000      0.3409000     -0.6259000      0.5481000
  1 1 1      27   -7    7 o    4.644000      0.4040000       4.553000 0.6479000       4.736000      0.4829000     -0.1830000      0.8081000
  1 1 1      27   -7    8 o    4.739000      0.3877000       4.548000 0.6037000       4.930000      0.4867000     -0.3820000      0.7754000
  1 1 1      27   -7    9 o    2.359000      0.5561000       2.835000 0.8422000       1.883000      0.7266000      0.9520000       1.112000
  1 1 1      27   -7   10 o    4.065000      0.5321000       3.735000 0.7209000       4.395000      0.7827000     -0.6601000       1.064000
  1 1 1      27   -7   11 o    5.931000      0.3710000       6.042000 0.4691000       5.821000      0.5748000      0.2209000      0.7419000
  1 1 1      27   -7   12 f    2.439000      0.5706000       2.835000 0.8362000       2.044000      0.7765000      0.7916000       1.141000
  1 1 1      27   -7   13 o    5.108000      0.3672000       4.742000 0.5676000       5.474000      0.4659000     -0.7320000      0.7343000
  1 1 1      27   -7   14 o    4.257000      0.5590000       4.514000 0.6081000       3.999000      0.9382000      0.5152000       1.118000
  1 1 1      27   -7   15 o    2.518000      0.6335000       3.331000 0.9788000       1.704000      0.8044000       1.627000       1.267000
  1 1 1      27   -6    0 o    7.547000      0.3266000       7.619000 0.5121000       7.475000      0.4055000      0.1443000      0.6532000
  1 1 1      27   -6    1 o    3.164000      0.5523000       2.427000 0.9176000       3.901000      0.6149000      -1.474000       1.105000
  1 1 1      27   -6    2 o    6.425000      0.3433000       6.643000 0.5272000       6.206000      0.4399000      0.4374000      0.6866000
  1 1 1      27   -6    3 o    8.833000      0.2875000       8.117000 0.4540000       9.549000      0.3529000      -1.432000      0.5750000
  1 1 1      27   -6    4 o    7.603000      0.2944000       7.538000 0.4607000       7.667000      0.3666000     -0.1286000      0.5888000
  1 1 1      27   -6    5 o    11.17000      0.2596000       10.99000 0.3941000       11.34000      0.3379000     -0.3513000      0.5191000
  1 1 1      27   -6    6 o    8.402000      0.2724000       8.714000 0.4184000       8.091000      0.3488000      0.6225000      0.5447000
  1 1 1      27   -6    7 f    6.603000      0.3037000       6.583000 0.4711000       6.623000      0.3833000     -0.4020000E-01  0.6073000
  1 1 1      27   -6    8 o    4.314000      0.4072000       4.603000 0.5981000       4.024000      0.5527000      0.5787000      0.8143000
  1 1 1      27   -6    9 o    6.531000      0.2967000       5.943000 0.4690000       7.120000      0.3637000      -1.177000      0.5934000
  1 1 1      27   -6   10 o    2.729000      0.5179000       2.053000 0.8172000       3.404000      0.6363000      -1.352000       1.036000
  1 1 1      27   -6   11 o    4.952000      0.3564000       5.079000 0.5419000       4.826000      0.4630000      0.2536000      0.7128000
  1 1 1      27   -6   12 o    4.592000      0.3643000       4.788000 0.5341000       4.396000      0.4955000      0.3922000      0.7286000
  1 1 1      27   -6   13 o    4.481000      0.5689000       4.135000 0.9400000       4.828000      0.6413000     -0.6935000       1.138000
  1 1 1      27   -6   14 o    3.146000      0.6382000       2.943000 0.9911000       3.349000      0.8044000     -0.4062000       1.276000
  1 1 1      27   -6   15 o    1.585000      0.4972000       1.719000 0.7497000       1.451000      0.6532000      0.2684000      0.9944000
  1 1 1      27   -6   16 o    2.726000      0.6098000       3.037000 0.7881000       2.415000      0.9306000      0.6221000       1.220000
  1 1 1      27   -5    0 o    7.006000      0.3398000       7.090000 0.5270000       6.922000      0.4292000      0.1681000      0.6797000
  1 1 1      27   -5    1 f    6.605000      0.3531000       5.907000 0.5842000       7.303000      0.3969000      -1.396000      0.7062000
  1 1 1      27   -5    2 o    7.563000      0.3056000       7.541000 0.4812000       7.585000      0.3768000     -0.4345000E-01  0.6112000
  1 1 1      27   -5    3 o    6.716000      0.3231000       6.873000 0.4983000       6.559000      0.4115000      0.3143000      0.6463000
  1 1 1      27   -5    4 o    8.358000      0.2898000       7.975000 0.4583000       8.740000      0.3549000     -0.7651000      0.5797000
  1 1 1      27   -5    5 o    6.428000      0.3198000       6.398000 0.5055000       6.457000      0.3917000     -0.5941000E-01  0.6395000
  1 1 1      27   -5    6 o    2.365000      0.5770000       2.221000 0.8584000       2.509000      0.7712000     -0.2883000       1.154000
  1 1 1      27   -5    7 o    4.705000      0.4049000       4.360000 0.6568000       5.050000      0.4739000     -0.6900000      0.8099000
  1 1 1      27   -5    8 o    6.321000      0.3130000       5.965000 0.5085000       6.677000      0.3653000     -0.7114000      0.6261000
  1 1 1      27   -5    9 o    7.599000      0.2739000       7.321000 0.4296000       7.876000      0.3401000     -0.5550000      0.5479000
  1 1 1      27   -5   10 o    2.173000      0.5252000       1.772000 0.7719000       2.574000      0.7123000     -0.8023000       1.050000
  1 1 1      27   -5   11 o    3.917000      0.4215000       4.170000 0.6478000       3.664000      0.5393000      0.5056000      0.8429000
  1 1 1      27   -5   12 o    3.410000      0.6305000       3.032000 0.9977000       3.788000      0.7710000     -0.7557000       1.261000
  1 1 1      27   -5   13 o    3.442000      0.4318000       3.327000 0.7046000       3.556000      0.4994000     -0.2289000      0.8636000
  1 1 1      27   -5   14 o    2.531000      0.5375000       2.461000 0.8100000       2.601000      0.7068000     -0.1404000       1.075000
  1 1 1      27   -5   15 o    2.637000      0.5816000       3.267000 0.9180000       2.007000      0.7143000       1.260000       1.163000
  1 1 1      27   -5   16 o    2.466000      0.6182000       2.105000 0.8850000       2.828000      0.8634000     -0.7227000       1.236000
  1 1 1      27   -5   17 o    5.446000      0.3142000       5.253000 0.4909000       5.639000      0.3924000     -0.3853000      0.6285000
  1 1 1      27   -5   18 o    1.972000      0.8610000       1.972000 0.8610000                  ?              ?              ?              ?
  1 1 1      27   -4    0 o    5.743000      0.3731000       5.588000 0.6051000       5.898000      0.4365000     -0.3101000      0.7461000
  1 1 1      27   -4    1 o    2.341000      0.6018000       2.321000 0.8898000       2.360000      0.8105000     -0.3899000E-01   1.204000
  1 1 1      27   -4    2 o    3.222000      0.5569000       2.522000 0.9127000       3.921000      0.6386000      -1.399000       1.114000
  1 1 1      27   -4    3 o    3.893000      0.5083000       3.438000 0.8696000       4.348000      0.5266000     -0.9098000       1.017000
  1 1 1      27   -4    4 o    7.880000      0.2974000       7.833000 0.4557000       7.928000      0.3822000     -0.9579000E-01  0.5948000
  1 1 1      27   -4    5 o    4.508000      0.4309000       4.641000 0.6654000       4.375000      0.5476000      0.2656000      0.8617000
  1 1 1      27   -4    6 o    3.203000      0.5520000       3.635000 0.7928000       2.771000      0.7682000      0.8642000       1.104000
  1 1 1      27   -4    7 o    1.887000      0.5494000       2.122000 0.8396000       1.651000      0.7087000      0.4714000       1.099000
  1 1 1      27   -4    8 o    2.042000      0.5510000       2.457000 0.8536000       1.627000      0.6970000      0.8296000       1.102000
  1 1 1      27   -4    9 o    4.011000      0.4359000       4.164000 0.6861000       3.857000      0.5381000      0.3071000      0.8719000
  1 1 1      27   -4   10 f    2.158000      0.5928000       2.366000 0.9564000       1.951000      0.7007000      0.4153000       1.186000
  1 1 1      27   -4   11 o    5.301000      0.4834000       5.767000 0.7048000       4.834000      0.6617000      0.9339000      0.9667000
  1 1 1      27   -4   12 o    8.007000      0.2557000       7.404000 0.4033000       8.611000      0.3144000      -1.207000      0.5114000
  1 1 1      27   -4   13 o    5.787000      0.2935000       5.592000 0.4626000       5.981000      0.3612000     -0.3884000      0.5869000
  1 1 1      27   -4   14 o    3.372000      0.5782000       4.412000 0.7652000       2.333000      0.8669000       2.079000       1.156000
  1 1 1      27   -4   15 o    2.013000      0.5559000       1.698000 0.7325000       2.329000      0.8364000     -0.6319000       1.112000
  1 1 1      27   -4   16 f    1.645000      0.4937000       1.657000 0.7234000       1.634000      0.6719000      0.2320000E-01  0.9873000
  1 1 1      27   -4   17 o    2.372000      0.5088000       1.980000 0.7630000       2.765000      0.6732000     -0.7852000       1.018000
  1 1 1      27   -4   18 o    2.317000      0.7821000       2.317000 0.7821000                  ?              ?              ?              ?
  1 1 1      27   -4   19 f    1.980000      0.5134000       2.407000 0.7857000       1.553000      0.6611000      0.8539000       1.027000
  1 1 1      27   -3    0 o    9.634000      0.2856000       10.15000 0.4226000       9.122000      0.3844000       1.024000      0.5713000
  1 1 1      27   -3    1 o    6.444000      0.3312000       6.354000 0.5198000       6.534000      0.4105000     -0.1803000      0.6623000
  1 1 1      27   -3    2 o    4.671000      0.4663000       3.652000 0.8003000       5.690000      0.4788000      -2.038000      0.9326000
  1 1 1      27   -3    3 o    2.286000      0.5853000       2.134000 0.8579000       2.438000      0.7965000     -0.3032000       1.171000
  1 1 1      27   -3    4 o    6.127000      0.3322000       6.254000 0.5065000       6.001000      0.4299000      0.2526000      0.6643000
  1 1 1      27   -3    5 o    2.294000      0.5764000       2.509000 0.8676000       2.079000      0.7593000      0.4304000       1.153000
  1 1 1      27   -3    6 o    4.465000      0.4255000       4.699000 0.6446000       4.231000      0.5556000      0.4681000      0.8510000
  1 1 1      27   -3    7 o    2.060000      0.5547000       2.487000 0.8602000       1.633000      0.7005000      0.8540000       1.109000
  1 1 1      27   -3    8 o    5.911000      0.3263000       5.817000 0.5185000       6.004000      0.3964000     -0.1863000      0.6526000
  1 1 1      27   -3    9 o    3.055000      0.6492000       2.664000 0.9917000       3.446000      0.8382000     -0.7822000       1.298000
  1 1 1      27   -3   10 o    4.497000      0.5921000       3.875000 1.005000       5.119000      0.6261000      -1.244000       1.184000
  1 1 1      27   -3   11 o    4.103000      0.4068000       4.131000 0.6529000       4.074000      0.4854000      0.5694000E-01  0.8136000
  1 1 1      27   -3   12 o    5.884000      0.3886000       5.844000 0.6789000       5.924000      0.3785000     -0.8006000E-01  0.7773000
  1 1 1      27   -3   13 o    2.815000      0.6076000       2.399000 0.9426000       3.232000      0.7668000     -0.8336000       1.215000
  1 1 1      27   -3   14 o    4.073000      0.3649000       4.589000 0.5410000       3.558000      0.4897000       1.031000      0.7297000
  1 1 1      27   -3   15 o    3.855000      0.4234000       3.430000 0.7173000       4.280000      0.4500000     -0.8495000      0.8467000
  1 1 1      27   -3   16 o    3.743000      0.3895000       3.999000 0.5653000       3.487000      0.5361000      0.5122000      0.7791000
  1 1 1      27   -3   17 o    4.827000      0.3004000       4.932000 0.4455000       4.722000      0.4030000      0.2091000      0.6007000
  1 1 1      27   -3   18 o    5.553000      0.3447000       6.016000 0.4020000       5.090000      0.5602000      0.9262000      0.6895000
  1 1 1      27   -3   19 o    2.153000      0.4515000       1.279000 0.6068000       3.026000      0.6686000      -1.746000      0.9029000
  1 1 1      27   -3   20 o    2.143000      0.5369000       2.216000 0.7869000       2.070000      0.7307000      0.1461000       1.074000
  1 1 1      27   -2    0 o    2.347000      0.5663000       3.166000 0.8972000       1.528000      0.6911000       1.637000       1.133000
  1 1 1      27   -2    1 o    2.901000      0.5269000       3.924000 0.7197000       1.878000      0.7699000       2.046000       1.054000
  1 1 1      27   -2    2 o    1.693000      0.5255000       2.036000 0.8408000       1.350000      0.6305000      0.6867000       1.051000
  1 1 1      27   -2    3 o    10.04000      0.2669000       10.00000 0.3938000       10.09000      0.3604000     -0.8357000E-01  0.5339000
  1 1 1      27   -2    4 o    6.980000      0.3038000       7.016000 0.4614000       6.943000      0.3951000      0.7301000E-01  0.6075000
  1 1 1      27   -2    5 o    4.482000      0.4087000       4.448000 0.6400000       4.515000      0.5084000     -0.6724000E-01  0.8174000
  1 1 1      27   -2    6 o    2.251000      0.5751000       2.536000 0.8627000       1.966000      0.7608000      0.5706000       1.150000
  1 1 1      27   -2    7 o    3.217000      0.5224000       3.681000 0.7460000       2.754000      0.7315000      0.9270000       1.045000
  1 1 1      27   -2    8 o    8.302000      0.3794000       7.983000 0.5703000       8.620000      0.5006000     -0.6375000      0.7589000
  1 1 1      27   -2    9 o    5.085000      0.4327000       4.464000 0.5712000       5.707000      0.6500000      -1.243000      0.8653000
  1 1 1      27   -2   10 o    2.124000      0.5510000       1.994000 0.8184000       2.254000      0.7380000     -0.2602000       1.102000
  1 1 1      27   -2   11 o    4.582000      0.5382000       4.745000 0.8871000       4.419000      0.6096000      0.3259000       1.076000
  1 1 1      27   -2   12 o    3.979000      0.5885000       3.335000 1.031000       4.623000      0.5675000      -1.287000       1.177000
  1 1 1      27   -2   13 o    3.262000      0.5437000       2.754000 0.8240000       3.770000      0.7095000      -1.016000       1.087000
  1 1 1      27   -2   14 o    2.594000      0.5107000       2.499000 0.7877000       2.689000      0.6500000     -0.1901000       1.021000
  1 1 1      27   -2   15 o    3.475000      0.4252000       3.875000 0.6132000       3.075000      0.5891000      0.8000000      0.8503000
  1 1 1      27   -2   16 o    7.294000      0.2396000       6.942000 0.3678000       7.646000      0.3072000     -0.7047000      0.4792000
  1 1 1      27   -2   17 o    6.044000      0.2614000       5.503000 0.4170000       6.585000      0.3153000      -1.082000      0.5228000
  1 1 1      27   -2   18 o    2.926000      0.4715000       2.949000 0.7109000       2.903000      0.6197000      0.4608000E-01  0.9431000
  1 1 1      27   -2   19 f    5.697000      0.2691000       5.458000 0.4156000       5.936000      0.3419000     -0.4779000      0.5382000
  1 1 1      27   -2   20 o    6.721000      0.2923000       6.603000 0.3655000       6.838000      0.4564000     -0.2352000      0.5847000
  1 1 1      27   -2   21 o    5.064000      0.3547000       5.224000 0.4443000       4.905000      0.5531000      0.3193000      0.7095000
  1 1 1      27   -1    0 o    3.235000      0.5549000       3.840000 0.7980000       2.630000      0.7712000       1.210000       1.110000
  1 1 1      27   -1    1 o    4.703000      0.4397000       4.693000 0.6899000       4.714000      0.5454000     -0.2137000E-01  0.8794000
  1 1 1      27   -1    2 o    8.055000      0.2910000       7.737000 0.4543000       8.373000      0.3636000     -0.6361000      0.5819000
  1 1 1      27   -1    3 o    15.76000      0.2826000       15.71000 0.4112000       15.82000      0.3879000     -0.1073000      0.5653000
  1 1 1      27   -1    4 o    11.73000      0.2611000       11.67000 0.3926000       11.79000      0.3442000     -0.1219000      0.5222000
  1 1 1      27   -1    5 o    3.451000      0.5022000       3.329000 0.8068000       3.573000      0.5982000     -0.2439000       1.004000
  1 1 1      27   -1    6 o    5.396000      0.3700000       4.664000 0.6206000       6.129000      0.4032000      -1.466000      0.7401000
  1 1 1      27   -1    7 o    5.255000      0.4894000       5.631000 0.6734000       4.878000      0.7103000      0.7524000      0.9787000
  1 1 1      27   -1    8 o    1.630000      0.5002000       1.617000 0.7312000       1.643000      0.6828000     -0.2678000E-01   1.000000
  1 1 1      27   -1    9 o    11.85000      0.2507000       11.89000 0.3816000       11.80000      0.3252000      0.8679000E-01  0.5014000
  1 1 1      27   -1   10 o    3.482000      0.6138000       2.873000 1.029000       4.091000      0.6695000      -1.218000       1.228000
  1 1 1      27   -1   11 o    6.873000      0.4145000       6.304000 0.6910000       7.442000      0.4580000      -1.138000      0.8290000
  1 1 1      27   -1   12 f    4.105000      0.4278000       3.417000 0.7355000       4.793000      0.4370000      -1.376000      0.8555000
  1 1 1      27   -1   13 o    2.484000      0.4923000       1.964000 0.7716000       3.004000      0.6116000      -1.039000      0.9846000
  1 1 1      27   -1   14 o    2.757000      0.4850000       3.460000 0.6845000       2.053000      0.6871000       1.407000      0.9699000
  1 1 1      27   -1   15 o    3.888000      0.3731000       3.888000 0.5903000       3.889000      0.4564000     -0.3364000E-03  0.7462000
  1 1 1      27   -1   16 o    5.154000      0.3039000       4.455000 0.5118000       5.854000      0.3278000      -1.399000      0.6078000
  1 1 1      27   -1   17 o    3.209000      0.4417000       3.334000 0.6508000       3.085000      0.5973000      0.2489000      0.8833000
  1 1 1      27   -1   18 o    1.415000      0.4480000       1.610000 0.6936000       1.220000      0.5671000      0.3896000      0.8960000
  1 1 1      27   -1   19 o    4.143000      0.4335000       4.372000 0.4757000       3.914000      0.7249000      0.4586000      0.8670000
  1 1 1      27   -1   20 o    6.019000      0.2419000       5.933000 0.3598000       6.105000      0.3234000     -0.1715000      0.4838000
  1 1 1      27   -1   21 o    2.855000      0.4182000       1.665000 0.7104000       4.045000      0.4415000      -2.380000      0.8364000
  1 1 1      27    0    0 o    4.348000      0.4304000       4.783000 0.6165000       3.913000      0.6007000      0.8697000      0.8608000
  1 1 1      27    0    1 o    8.016000      0.2893000       7.620000 0.4441000       8.412000      0.3708000     -0.7923000      0.5786000
  1 1 1      27    0    2 o    4.750000      0.4200000       4.436000 0.6904000       5.064000      0.4786000     -0.6279000      0.8401000
  1 1 1      27    0    3 o    12.23000      0.2656000       11.93000 0.3965000       12.52000      0.3536000     -0.5938000      0.5313000
  1 1 1      27    0    4 o    8.623000      0.2734000       8.832000 0.4150000       8.415000      0.3562000      0.4166000      0.5468000
  1 1 1      27    0    5 o    8.460000      0.2734000       8.963000 0.4207000       7.957000      0.3492000       1.006000      0.5467000
  1 1 1      27    0    6 o    5.186000      0.5046000       5.444000 0.7307000       4.928000      0.6961000      0.5157000       1.009000
  1 1 1      27    0    7 o    4.570000      0.3655000       4.798000 0.5974000       4.341000      0.4213000      0.4576000      0.7310000
  1 1 1      27    0    8 o    6.197000      0.3085000       6.155000 0.4853000       6.238000      0.3809000     -0.8303000E-01  0.6169000
  1 1 1      27    0    9 o    7.937000      0.3741000       8.650000 0.5902000       7.225000      0.4598000       1.425000      0.7482000
  1 1 1      27    0   10 o    2.876000      0.6743000       3.039000 1.041000       2.712000      0.8576000      0.3275000       1.349000
  1 1 1      27    0   11 o    8.962000      0.2523000       8.625000 0.3901000       9.298000      0.3201000     -0.6733000      0.5047000
  1 1 1      27    0   12 o    2.497000      0.5417000       2.299000 0.8223000       2.694000      0.7054000     -0.3949000       1.083000
  1 1 1      27    0   13 o    6.462000      0.2783000       6.235000 0.4421000       6.690000      0.3381000     -0.4552000      0.5565000
  1 1 1      27    0   14 o    4.083000      0.3910000       4.039000 0.6317000       4.128000      0.4608000     -0.8925000E-01  0.7819000
  1 1 1      27    0   15 o    6.757000      0.2492000       6.813000 0.3879000       6.702000      0.3130000      0.1106000      0.4984000
  1 1 1      27    0   16 o    4.014000      0.3452000       4.032000 0.5519000       3.995000      0.4149000      0.3726000E-01  0.6905000
  1 1 1      27    0   17 o    6.768000      0.2366000       6.867000 0.3581000       6.668000      0.3095000      0.1987000      0.4733000
  1 1 1      27    0   18 o    4.200000      0.3262000       4.091000 0.5092000       4.308000      0.4077000     -0.2173000      0.6523000
  1 1 1      27    0   19 o    3.927000      0.5297000       3.927000 0.5297000                  ?              ?              ?              ?
  1 1 1      27    0   20 o    2.218000      0.5012000       2.304000 0.7356000       2.133000      0.6808000      0.1706000       1.002000
  1 1 1      27    0   21 o    1.617000      0.6493000                  ?       ?   1.617000      0.6493000                  ?              ?
  1 1 1      27    0   22 o    2.984000      0.5222000       2.358000 0.8559000       3.610000      0.5987000      -1.251000       1.044000
  1 1 1      27    1    0 o    3.243000      0.4893000       3.262000 0.6890000       3.224000      0.6949000      0.3805000E-01  0.9786000
  1 1 1      27    1    1 o    5.228000      0.3246000       4.879000 0.4776000       5.577000      0.4398000     -0.6979000      0.6493000
  1 1 1      27    1    2 o    3.161000      0.5050000       2.842000 0.7471000       3.480000      0.6797000     -0.6377000       1.010000
  1 1 1      27    1    3 o    10.58000      0.2390000       10.58000 0.3340000       10.57000      0.3420000      0.1406000E-01  0.4780000
  1 1 1      27    1    4 o    6.342000      0.3651000       6.465000 0.6162000       6.220000      0.3915000      0.2445000      0.7301000
  1 1 1      27    1    5 o    12.22000      0.3563000       12.01000 0.5196000       12.44000      0.4877000     -0.4308000      0.7126000
  1 1 1      27    1    6 o    10.05000      0.3503000       10.02000 0.5103000       10.08000      0.4799000     -0.6618000E-01  0.7005000
  1 1 1      27    1    7 o    9.802000      0.2521000       10.18000 0.3852000       9.420000      0.3252000      0.7624000      0.5041000
  1 1 1      27    1    8 o    9.424000      0.3715000       10.02000 0.6063000       8.832000      0.4294000       1.185000      0.7430000
  1 1 1      27    1    9 o    6.207000      0.4471000       6.862000 0.7097000       5.553000      0.5440000       1.309000      0.8942000
  1 1 1      27    1   10 o    3.187000      0.5038000       3.224000 0.7807000       3.151000      0.6370000      0.7263000E-01   1.008000
  1 1 1      27    1   11 o    2.495000      0.5541000       2.718000 0.8416000       2.273000      0.7210000      0.4449000       1.108000
  1 1 1      27    1   12 o    6.065000      0.2988000       6.389000 0.4468000       5.742000      0.3969000      0.6474000      0.5976000
  1 1 1      27    1   13 o    6.000000      0.2963000       6.761000 0.4215000       5.238000      0.4165000       1.523000      0.5926000
  1 1 1      27    1   14 o    5.267000      0.3081000       5.503000 0.4719000       5.031000      0.3963000      0.4723000      0.6162000
  1 1 1      27    1   15 o    6.151000      0.2828000       6.025000 0.4565000       6.277000      0.3338000     -0.2520000      0.5655000
  1 1 1      27    1   16 o    9.134000      0.2307000       9.008000 0.3506000       9.260000      0.3000000     -0.2520000      0.4614000
  1 1 1      27    1   17 o    7.957000      0.2334000       7.481000 0.3622000       8.433000      0.2945000     -0.9525000      0.4668000
  1 1 1      27    1   18 o    5.238000      0.2850000       5.195000 0.4408000       5.280000      0.3613000     -0.8548000E-01  0.5699000
  1 1 1      27    1   19 o    6.257000      0.2680000       5.932000 0.3804000       6.582000      0.3776000     -0.6493000      0.5360000
  1 1 1      27    1   20 o    3.714000      0.3412000       4.017000 0.4879000       3.410000      0.4771000      0.6079000      0.6824000
  1 1 1      27    1   21 o    2.357000      0.5620000       1.928000 0.8249000       2.787000      0.7635000     -0.8589000       1.124000
  1 1 1      27    1   22 o    2.034000      0.4763000       1.778000 0.6958000       2.291000      0.6505000     -0.5133000      0.9525000
  1 1 1      27    1   23 o    1.812000      0.4767000       1.700000 0.6761000       1.924000      0.6721000     -0.2235000      0.9533000
  1 1 1      27    2    0 o    4.339000      0.3955000       3.949000 0.6107000       4.729000      0.5025000     -0.7798000      0.7909000
  1 1 1      27    2    1 o    5.468000      0.3180000       5.803000 0.4301000       5.133000      0.4686000      0.6696000      0.6361000
  1 1 1      27    2    2 o    6.943000      0.2741000       6.976000 0.3863000       6.911000      0.3890000      0.6494000E-01  0.5482000
  1 1 1      27    2    3 o    15.42000      0.2659000       15.46000 0.3777000       15.38000      0.3743000      0.7591000E-01  0.5318000
  1 1 1      27    2    4 o    11.27000      0.3072000       10.79000 0.3480000       11.75000      0.5063000     -0.9542000      0.6144000
  1 1 1      27    2    5 o    16.18000      0.3944000       16.41000 0.5720000       15.95000      0.5431000      0.4564000      0.7888000
  1 1 1      27    2    6 o    16.12000      0.2693000       16.12000 0.3814000       16.11000      0.3802000      0.2796000E-02  0.5386000
  1 1 1      27    2    7 o    10.52000      0.2688000       10.37000 0.4313000       10.66000      0.3209000     -0.2870000      0.5376000
  1 1 1      27    2    8 o    3.151000      0.6114000       2.474000 1.012000       3.827000      0.6860000      -1.352000       1.223000
  1 1 1      27    2    9 f    7.816000      0.2676000       7.856000 0.4164000       7.777000      0.3362000      0.7857000E-01  0.5352000
  1 1 1      27    2   10 o    6.582000      0.2847000       7.140000 0.4309000       6.024000      0.3722000       1.115000      0.5694000
  1 1 1      27    2   11 f    9.795000      0.2462000       9.755000 0.3778000       9.834000      0.3158000     -0.7835000E-01  0.4924000
  1 1 1      27    2   12 o    12.94000      0.2505000       12.61000 0.3732000       13.27000      0.3343000     -0.6619000      0.5010000
  1 1 1      27    2   13 o    10.52000      0.2422000       10.44000 0.3653000       10.60000      0.3182000     -0.1577000      0.4844000
  1 1 1      27    2   14 f    10.52000      0.2364000       10.47000 0.3535000       10.57000      0.3140000     -0.1007000      0.4728000
  1 1 1      27    2   15 o    8.473000      0.2387000       8.594000 0.3672000       8.353000      0.3049000      0.2416000      0.4773000
  1 1 1      27    2   16 o    7.853000      0.2382000       7.976000 0.3602000       7.730000      0.3118000      0.2461000      0.4764000
  1 1 1      27    2   17 o    2.668000      0.5029000       3.115000 0.7197000       2.222000      0.7026000      0.8936000       1.006000
  1 1 1      27    2   18 o    2.735000      0.4671000       2.211000 0.7644000       3.259000      0.5372000      -1.048000      0.9343000
  1 1 1      27    2   19 o    5.992000      0.2500000       6.002000 0.3868000       5.982000      0.3168000      0.2006000E-01  0.5000000
  1 1 1      27    2   20 o    3.564000      0.5385000       3.727000 0.8297000       3.402000      0.6866000      0.3251000       1.077000
  1 1 1      27    2   21 o    3.194000      0.3954000       2.869000 0.6514000       3.519000      0.4482000     -0.6495000      0.7907000
  1 1 1      27    2   22 o    4.568000      0.2744000       4.171000 0.4399000       4.964000      0.3281000     -0.7925000      0.5488000
  1 1 1      27    2   23 o    6.056000      0.3094000       6.117000 0.4459000       5.995000      0.4292000      0.1218000      0.6189000
  1 1 1      27    3    0 o    2.763000      0.5273000       2.202000 0.7790000       3.325000      0.7107000      -1.123000       1.055000
  1 1 1      27    3    1 o    10.27000      0.2501000       9.933000 0.3555000       10.61000      0.3519000     -0.6810000      0.5002000
  1 1 1      27    3    2 o    1.846000      0.5263000       1.603000 0.7040000       2.090000      0.7826000     -0.4863000       1.053000
  1 1 1      27    3    3 o    11.41000      0.2503000       11.32000 0.3486000       11.50000      0.3593000     -0.1799000      0.5006000
  1 1 1      27    3    4 o    5.111000      0.5582000       4.078000 0.9496000       6.145000      0.5868000      -2.067000       1.116000
  1 1 1      27    3    5 o    11.61000      0.2395000       11.46000 0.3406000       11.77000      0.3367000     -0.3029000      0.4790000
  1 1 1      27    3    6 o    4.434000      0.3602000       4.759000 0.4573000       4.109000      0.5566000      0.6494000      0.7204000
  1 1 1      27    3    7 o    7.191000      0.3231000       7.143000 0.4559000       7.239000      0.4580000     -0.9651000E-01  0.6462000
  1 1 1      27    3    8 o    8.965000      0.2346000       8.887000 0.3249000       9.043000      0.3384000     -0.1553000      0.4691000
  1 1 1      27    3    9 o    11.53000      0.2340000       11.80000 0.3327000       11.27000      0.3291000      0.5305000      0.4680000
  1 1 1      27    3   10 o    3.866000      0.3855000       4.227000 0.4829000       3.504000      0.6010000      0.7226000      0.7710000
  1 1 1      27    3   11 o    10.43000      0.3002000       10.51000 0.5080000       10.34000      0.3202000      0.1729000      0.6005000
  1 1 1      27    3   12 o    8.186000      0.2578000       7.766000 0.4114000       8.606000      0.3109000     -0.8399000      0.5156000
  1 1 1      27    3   13 o    7.639000      0.2623000       7.642000 0.4157000       7.636000      0.3199000      0.6094000E-02  0.5245000
  1 1 1      27    3   14 o    1.833000      0.5206000       2.268000 0.8303000       1.399000      0.6283000      0.8681000       1.041000
  1 1 1      27    3   15 o    5.638000      0.2977000       5.555000 0.4748000       5.722000      0.3592000     -0.1662000      0.5953000
  1 1 1      27    3   16 o    8.469000      0.2349000       8.635000 0.3594000       8.303000      0.3026000      0.3318000      0.4699000
  1 1 1      27    3   17 o    4.563000      0.3356000       4.694000 0.5367000       4.431000      0.4030000      0.2632000      0.6712000
  1 1 1      27    3   18 o    1.664000      0.4826000       1.886000 0.7423000       1.442000      0.6169000      0.4439000      0.9652000
  1 1 1      27    3   19 o    3.516000      0.5533000       3.537000 0.8392000       3.495000      0.7215000      0.4231000E-01   1.107000
  1 1 1      27    3   20 o    3.869000      0.8224000       3.869000 0.8224000                  ?              ?              ?              ?
  1 1 1      27    3   21 o    3.872000      0.3223000       3.703000 0.5158000       4.041000      0.3867000     -0.3379000      0.6447000
  1 1 1      27    3   22 o    1.747000      0.4963000       1.385000 0.6502000       2.109000      0.7501000     -0.7240000      0.9927000
  1 1 1      27    3   23 o    2.385000      0.4369000       2.767000 0.6078000       2.004000      0.6279000      0.7629000      0.8739000
  1 1 1      27    3   24 o    3.363000      0.3126000       3.358000 0.4546000       3.369000      0.4291000     -0.1083000E-01  0.6251000
  1 1 1      27    4    0 f    4.345000      0.3982000       4.121000 0.5814000       4.569000      0.5443000     -0.4479000      0.7964000
  1 1 1      27    4    1 o    9.535000      0.2592000       9.386000 0.3638000       9.683000      0.3692000     -0.2968000      0.5183000
  1 1 1      27    4    2 o    11.13000      0.2495000       11.45000 0.3529000       10.81000      0.3529000      0.6383000      0.4991000
  1 1 1      27    4    3 o    14.07000      0.3733000       14.47000 0.5445000       13.67000      0.5108000      0.8019000      0.7466000
  1 1 1      27    4    4 o    7.759000      0.4047000       7.335000 0.5956000       8.183000      0.5481000     -0.8477000      0.8094000
  1 1 1      27    4    5 o    6.583000      0.2757000       6.819000 0.3807000       6.348000      0.3988000      0.4716000      0.5513000
  1 1 1      27    4    6 o    3.392000      0.5676000       4.182000 0.6887000       2.602000      0.9025000       1.579000       1.135000
  1 1 1      27    4    7 o    9.305000      0.3202000       9.005000 0.4421000       9.604000      0.4634000     -0.5992000      0.6405000
  1 1 1      27    4    8 o    8.133000      0.2407000       7.940000 0.3431000       8.325000      0.3376000     -0.3850000      0.4813000
  1 1 1      27    4    9 o    5.689000      0.2826000       5.437000 0.4062000       5.942000      0.3932000     -0.5052000      0.5653000
  1 1 1      27    4   10 o    5.749000      0.2767000       5.939000 0.3617000       5.559000      0.4187000      0.3799000      0.5533000
  1 1 1      27    4   11 o    5.763000      0.2741000       6.119000 0.3628000       5.408000      0.4109000      0.7115000      0.5481000
  1 1 1      27    4   12 o    4.757000      0.3024000       4.745000 0.4280000       4.768000      0.4272000     -0.2329000E-01  0.6047000
  1 1 1      27    4   13 o    9.064000      0.2216000       9.245000 0.3096000       8.883000      0.3172000      0.3618000      0.4432000
  1 1 1      27    4   14 o    8.702000      0.3059000       8.549000 0.5254000       8.856000      0.3135000     -0.3071000      0.6118000
  1 1 1      27    4   15 o    11.64000      0.2382000       11.68000 0.3560000       11.60000      0.3166000      0.8488000E-01  0.4764000
  1 1 1      27    4   16 o    4.224000      0.3792000       4.635000 0.5534000       3.812000      0.5186000      0.8225000      0.7584000
  1 1 1      27    4   17 o    7.214000      0.2499000       7.420000 0.4001000       7.007000      0.2996000      0.4124000      0.4998000
  1 1 1      27    4   18 o    5.832000      0.2639000       5.613000 0.4241000       6.052000      0.3142000     -0.4388000      0.5278000
  1 1 1      27    4   19 o    5.342000      0.3869000       5.768000 0.5483000       4.915000      0.5460000      0.8525000      0.7738000
  1 1 1      27    4   20 o    2.415000      0.7392000       2.415000 0.7392000                  ?              ?              ?              ?
  1 1 1      27    4   21 o    5.971000      0.3014000       5.676000 0.4803000       6.266000      0.3641000     -0.5902000      0.6027000
  1 1 1      27    4   22 o    1.379000      0.5790000                  ?       ?   1.379000      0.5790000                  ?              ?
  1 1 1      27    4   23 o    3.541000      0.2901000       3.895000 0.4034000       3.186000      0.4170000      0.7093000      0.5802000
  1 1 1      27    4   24 o    1.934000      0.4107000       1.611000 0.6120000       2.256000      0.5479000     -0.6450000      0.8214000
  1 1 1      27    5    0 o    3.406000      0.5042000       3.561000 0.6774000       3.251000      0.7469000      0.3102000       1.008000
  1 1 1      27    5    1 o    9.868000      0.2541000       9.791000 0.3572000       9.946000      0.3616000     -0.1553000      0.5083000
  1 1 1      27    5    2 o    14.23000      0.2627000       14.09000 0.3701000       14.38000      0.3730000     -0.2920000      0.5255000
  1 1 1      27    5    3 o    15.50000      0.3872000       15.93000 0.5630000       15.08000      0.5318000      0.8535000      0.7744000
  1 1 1      27    5    4 o    11.84000      0.2512000       11.72000 0.3557000       11.96000      0.3547000     -0.2373000      0.5023000
  1 1 1      27    5    5 o    14.76000      0.2623000       14.68000 0.3707000       14.84000      0.3712000     -0.1604000      0.5246000
  1 1 1      27    5    6 o    2.232000      0.5904000       2.650000 0.8674000       1.814000      0.8013000      0.8360000       1.181000
  1 1 1      27    5    7 o    14.41000      0.2559000       14.26000 0.3595000       14.56000      0.3642000     -0.2985000      0.5118000
  1 1 1      27    5    8 o    10.27000      0.2372000       9.898000 0.3334000       10.64000      0.3375000     -0.7383000      0.4743000
  1 1 1      27    5    9 o    2.356000      0.4990000       1.894000 0.7297000       2.817000      0.6809000     -0.9230000      0.9980000
  1 1 1      27    5   10 o    11.99000      0.2353000       12.00000 0.3339000       11.97000      0.3316000      0.2902000E-01  0.4706000
  1 1 1      27    5   11 o    8.633000      0.2308000       8.625000 0.3242000       8.641000      0.3287000     -0.1608000E-01  0.4617000
  1 1 1      27    5   12 f    5.101000      0.2919000       5.382000 0.3959000       4.819000      0.4290000      0.5629000      0.5837000
  1 1 1      27    5   13 o    7.729000      0.2322000       7.693000 0.3183000       7.766000      0.3382000     -0.7377000E-01  0.4644000
  1 1 1      27    5   14 o    1.285000      0.4174000       1.253000 0.5794000       1.316000      0.6011000     -0.6342000E-01  0.8349000
  1 1 1      27    5   15 o    6.106000      0.2506000       5.428000 0.3682000       6.784000      0.3401000      -1.356000      0.5013000
  1 1 1      27    5   16 o    11.82000      0.2250000       11.73000 0.3203000       11.91000      0.3160000     -0.1783000      0.4500000
  1 1 1      27    5   17 o    12.23000      0.2898000       12.26000 0.4919000       12.19000      0.3065000      0.6871000E-01  0.5796000
  1 1 1      27    5   18 o    11.47000      0.3213000       10.96000 0.4713000       11.98000      0.4369000      -1.017000      0.6427000
  1 1 1      27    5   19 o    2.370000      0.5333000       1.530000 0.7136000       3.211000      0.7929000      -1.681000       1.067000
  1 1 1      27    5   20 o    7.235000      0.2205000       7.333000 0.3444000       7.138000      0.2753000      0.1944000      0.4409000
  1 1 1      27    5   21 o    2.168000      0.5443000       2.192000 0.8167000       2.145000      0.7197000      0.4641000E-01   1.089000
  1 1 1      27    5   22 o    2.297000      0.4763000       2.716000 0.7284000       1.878000      0.6137000      0.8375000      0.9525000
  1 1 1      27    5   23 o    1.694000      0.4244000       1.568000 0.6294000       1.819000      0.5695000     -0.2515000      0.8489000
  1 1 1      27    5   24 o    1.600000      0.4144000       1.663000 0.6018000       1.538000      0.5699000      0.1249000      0.8289000
  1 1 1      27    5   25 o    2.163000      0.3716000       1.847000 0.5844000       2.480000      0.4590000     -0.6339000      0.7431000
  1 1 1      27    6    0 o    5.043000      0.3675000       4.777000 0.5441000       5.309000      0.4941000     -0.5321000      0.7350000
  1 1 1      27    6    1 o    6.549000      0.3020000       6.688000 0.4281000       6.410000      0.4261000      0.2777000      0.6041000
  1 1 1      27    6    2 o    2.391000      0.6622000       2.202000 0.9271000       2.579000      0.9457000     -0.3773000       1.324000
  1 1 1      27    6    3 o    13.36000      0.3720000       13.33000 0.5403000       13.40000      0.5116000     -0.6099000E-01  0.7441000
  1 1 1      27    6    4 o    11.09000      0.2482000       11.14000 0.3531000       11.05000      0.3490000      0.8995000E-01  0.4965000
  1 1 1      27    6    5 o    3.216000      0.6049000       2.383000 0.8868000       4.049000      0.8228000      -1.666000       1.210000
  1 1 1      27    6    6 o    7.766000      0.3534000       8.056000 0.4665000       7.476000      0.5310000      0.5797000      0.7068000
  1 1 1      27    6    7 o    10.82000      0.2420000       10.76000 0.3403000       10.87000      0.3442000     -0.1145000      0.4840000
  1 1 1      27    6    8 o    5.128000      0.3276000       4.597000 0.4923000       5.659000      0.4325000      -1.063000      0.6553000
  1 1 1      27    6    9 o    6.812000      0.2672000       6.658000 0.3781000       6.966000      0.3777000     -0.3077000      0.5345000
  1 1 1      27    6   10 f    13.75000      0.2484000       13.94000 0.3541000       13.56000      0.3486000      0.3839000      0.4969000
  1 1 1      27    6   11 o    10.36000      0.2339000       10.09000 0.3288000       10.63000      0.3328000     -0.5408000      0.4678000
  1 1 1      27    6   12 o    1.790000      0.5097000       1.791000 0.7207000       1.788000      0.7210000      0.3715000E-02   1.019000
  1 1 1      27    6   13 o    5.371000      0.2867000       5.631000 0.3884000       5.111000      0.4217000      0.5194000      0.5734000
  1 1 1      27    6   14 o    7.799000      0.2323000       7.925000 0.3255000       7.673000      0.3315000      0.2527000      0.4646000
  1 1 1      27    6   15 o    7.155000      0.2380000       7.191000 0.3320000       7.120000      0.3411000      0.7102000E-01  0.4759000
  1 1 1      27    6   16 o    8.222000      0.2241000       8.453000 0.3133000       7.990000      0.3206000      0.4631000      0.4483000
  1 1 1      27    6   17 o    7.177000      0.2258000       7.034000 0.3281000       7.319000      0.3102000     -0.2850000      0.4515000
  1 1 1      27    6   18 o    7.384000      0.3419000       7.007000 0.5279000       7.762000      0.4347000     -0.7556000      0.6839000
  1 1 1      27    6   19 o    6.885000      0.2128000       6.697000 0.3015000       7.074000      0.3003000     -0.3773000      0.4255000
  1 1 1      27    6   20 o    7.885000      0.2152000       7.587000 0.3352000       8.183000      0.2699000     -0.5961000      0.4303000
  1 1 1      27    6   21 o    1.702000      0.4974000       1.429000 0.6717000       1.975000      0.7339000     -0.5452000      0.9948000
  1 1 1      27    6   22 o    1.491000      0.4250000       1.456000 0.6122000       1.525000      0.5895000     -0.6868000E-01  0.8499000
  1 1 1      27    6   23 o    1.943000      0.4245000       2.114000 0.6325000       1.771000      0.5662000      0.3432000      0.8489000
  1 1 1      27    6   24 o    1.948000      0.3904000       1.646000 0.6108000       2.250000      0.4862000     -0.6037000      0.7807000
  1 1 1      27    6   25 o    2.466000      0.3194000       2.610000 0.4563000       2.322000      0.4470000      0.2879000      0.6388000
  1 1 1      27    7    0 o    7.184000      0.2873000       6.798000 0.4207000       7.571000      0.3913000     -0.7726000      0.5746000
  1 1 1      27    7    1 o    11.49000      0.2551000       11.58000 0.3637000       11.39000      0.3577000      0.1973000      0.5101000
  1 1 1      27    7    2 o    13.32000      0.3727000       13.51000 0.5327000       13.13000      0.5214000      0.3712000      0.7454000
  1 1 1      27    7    3 f    11.06000      0.3639000       11.24000 0.5257000       10.88000      0.5033000      0.3651000      0.7278000
  1 1 1      27    7    4 o    12.46000      0.2508000       12.66000 0.3561000       12.27000      0.3532000      0.3943000      0.5015000
  1 1 1      27    7    5 f    9.876000      0.3419000       9.469000 0.4650000       10.28000      0.5013000     -0.8143000      0.6838000
  1 1 1      27    7    6 o    14.33000      0.3574000       13.92000 0.4859000       14.74000      0.5243000     -0.8151000      0.7148000
  1 1 1      27    7    7 o    9.603000      0.2447000       9.702000 0.3400000       9.504000      0.3520000      0.1980000      0.4894000
  1 1 1      27    7    8 o    11.05000      0.2407000       11.07000 0.3390000       11.03000      0.3419000      0.3687000E-01  0.4815000
  1 1 1      27    7    9 o    6.215000      0.2791000       6.312000 0.3846000       6.118000      0.4045000      0.1933000      0.5582000
  1 1 1      27    7   10 o    6.052000      0.2859000       6.222000 0.3996000       5.881000      0.4089000      0.3411000      0.5717000
  1 1 1      27    7   11 o    6.912000      0.2602000       6.562000 0.3726000       7.262000      0.3633000     -0.7007000      0.5204000
  1 1 1      27    7   12 o    5.858000      0.2857000       5.513000 0.4125000       6.203000      0.3953000     -0.6898000      0.5713000
  1 1 1      27    7   13 o    3.487000      0.4276000       3.404000 0.6147000       3.571000      0.5946000     -0.1670000      0.8552000
  1 1 1      27    7   14 o    5.929000      0.2722000       5.560000 0.4032000       6.299000      0.3659000     -0.7390000      0.5444000
  1 1 1      27    7   15 o    4.230000      0.3599000       3.879000 0.5615000       4.582000      0.4503000     -0.7031000      0.7197000
  1 1 1      27    7   16 o    3.826000      0.3611000       3.734000 0.5202000       3.917000      0.5009000     -0.1831000      0.7221000
  1 1 1      27    7   17 o    2.127000      0.4934000       2.237000 0.7016000       2.017000      0.6938000      0.2197000      0.9867000
  1 1 1      27    7   18 o    5.337000      0.3819000       5.709000 0.5769000       4.965000      0.5005000      0.7446000      0.7637000
  1 1 1      27    7   19 o    7.035000      0.2101000       6.852000 0.3002000       7.217000      0.2940000     -0.3659000      0.4202000
  1 1 1      27    7   20 o    4.106000      0.3568000       4.424000 0.4216000       3.788000      0.5757000      0.6356000      0.7136000
  1 1 1      27    7   21 o    11.44000      0.2751000       11.85000 0.3807000       11.04000      0.3974000      0.8132000      0.5503000
  1 1 1      27    7   22 o    4.666000      0.3075000       4.718000 0.5299000       4.615000      0.3119000      0.1033000      0.6149000
  1 1 1      27    7   23 o    4.058000      0.2639000       3.471000 0.4488000       4.645000      0.2780000      -1.174000      0.5279000
  1 1 1      27    7   24 o    4.257000      0.2191000       3.979000 0.3519000       4.535000      0.2612000     -0.5560000      0.4382000
  1 1 1      27    7   25 o    3.494000      0.2403000       2.882000 0.4059000       4.107000      0.2573000      -1.224000      0.4806000
  1 1 1      27    8    0 o    15.91000      0.2789000       15.83000 0.3946000       15.99000      0.3942000     -0.1658000      0.5578000
  1 1 1      27    8    1 o    9.670000      0.2594000       9.523000 0.3664000       9.816000      0.3674000     -0.2930000      0.5189000
  1 1 1      27    8    2 o    9.959000      0.3627000       9.581000 0.5254000       10.34000      0.5002000     -0.7559000      0.7255000
  1 1 1      27    8    3 o    4.014000      0.4517000       4.421000 0.5863000       3.606000      0.6874000      0.8154000      0.9035000
  1 1 1      27    8    4 o    12.72000      0.2542000       13.09000 0.3643000       12.36000      0.3545000      0.7307000      0.5084000
  1 1 1      27    8    5 o    13.31000      0.3577000       13.65000 0.5049000       12.97000      0.5067000      0.6800000      0.7153000
  1 1 1      27    8    6 o    9.924000      0.3020000       9.715000 0.3515000       10.13000      0.4911000     -0.4166000      0.6040000
  1 1 1      27    8    7 o    12.14000      0.2492000       12.34000 0.3540000       11.95000      0.3509000      0.3969000      0.4984000
  1 1 1      27    8    8 o    15.75000      0.2671000       15.79000 0.3778000       15.70000      0.3777000      0.8337000E-01  0.5342000
  1 1 1      27    8    9 o    4.420000      0.3739000       4.046000 0.5505000       4.795000      0.5063000     -0.7489000      0.7479000
  1 1 1      27    8   10 o    1.927000      0.5268000       1.854000 0.7324000       1.999000      0.7574000     -0.1450000       1.054000
  1 1 1      27    8   11 f    6.598000      0.2708000       6.852000 0.3796000       6.344000      0.3862000      0.5075000      0.5416000
  1 1 1      27    8   12 o    8.180000      0.2387000       8.307000 0.3389000       8.054000      0.3363000      0.2535000      0.4774000
  1 1 1      27    8   13 o    5.055000      0.3158000       4.725000 0.4625000       5.384000      0.4301000     -0.6598000      0.6316000
  1 1 1      27    8   14 o    3.051000      0.4780000       3.323000 0.6256000       2.778000      0.7228000      0.5450000      0.9560000
  1 1 1      27    8   15 o    3.520000      0.4140000       3.416000 0.5973000       3.624000      0.5733000     -0.2077000      0.8280000
  1 1 1      27    8   16 o    1.920000      0.5017000       2.178000 0.7316000       1.662000      0.6867000      0.5163000       1.003000
  1 1 1      27    8   17 o    3.306000      0.4027000       3.713000 0.5136000       2.900000      0.6204000      0.8131000      0.8054000
  1 1 1      27    8   18 o    8.394000      0.3005000       8.343000 0.4591000       8.446000      0.3879000     -0.1037000      0.6010000
  1 1 1      27    8   19 o    1.853000      0.4661000       2.089000 0.6804000       1.618000      0.6373000      0.4713000      0.9322000
  1 1 1      27    8   20 o    5.671000      0.2052000       5.681000 0.3078000       5.661000      0.2714000      0.1949000E-01  0.4104000
  1 1 1      27    8   21 o    8.097000      0.3493000       8.097000 0.3493000                  ?              ?              ?              ?
  1 1 1      27    8   22 o    1.397000      0.3985000       1.591000 0.5896000       1.203000      0.5364000      0.3887000      0.7970000
  1 1 1      27    8   23 o    2.558000      0.4653000                  ?       ?   2.558000      0.4653000                  ?              ?
  1 1 1      27    8   24 o    4.498000      0.1922000       4.756000 0.2792000       4.241000      0.2642000      0.5149000      0.3844000
  1 1 1      27    8   25 o    3.054000      0.3939000       2.442000 0.6341000       3.666000      0.4673000      -1.224000      0.7877000
  1 1 1      27    8   26 o    3.825000      0.2843000       3.761000 0.4089000       3.890000      0.3950000     -0.1295000      0.5686000
  1 1 1      27    9    0 o    7.772000      0.2918000       7.774000 0.4212000       7.771000      0.4040000      0.3358000E-02  0.5836000
  1 1 1      27    9    1 o    5.490000      0.3567000       5.233000 0.5355000       5.747000      0.4714000     -0.5139000      0.7134000
  1 1 1      27    9    2 o    12.32000      0.3695000       12.51000 0.5317000       12.13000      0.5133000      0.3808000      0.7391000
  1 1 1      27    9    3 o    5.658000      0.3459000       5.310000 0.5170000       6.007000      0.4598000     -0.6965000      0.6919000
  1 1 1      27    9    4 o    6.016000      0.3244000       6.110000 0.4501000       5.922000      0.4673000      0.1886000      0.6488000
  1 1 1      27    9    5 o    4.680000      0.5350000       4.591000 0.7547000       4.770000      0.7584000     -0.1796000       1.070000
  1 1 1      27    9    6 o    9.056000      0.2596000       9.084000 0.3671000       9.027000      0.3672000      0.5611000E-01  0.5192000
  1 1 1      27    9    7 o    12.61000      0.2519000       12.86000 0.3606000       12.36000      0.3520000      0.5056000      0.5039000
  1 1 1      27    9    8 o    11.52000      0.2455000       11.43000 0.3479000       11.60000      0.3466000     -0.1717000      0.4911000
  1 1 1      27    9    9 f    10.10000      0.2403000       10.11000 0.3401000       10.09000      0.3397000      0.2599000E-01  0.4806000
  1 1 1      27    9   10 o    9.542000      0.2421000       9.838000 0.3390000       9.246000      0.3457000      0.5917000      0.4842000
  1 1 1      27    9   11 o    8.136000      0.2497000       8.074000 0.3589000       8.198000      0.3474000     -0.1248000      0.4995000
  1 1 1      27    9   12 o    10.80000      0.2360000       10.91000 0.3345000       10.69000      0.3331000      0.2149000      0.4720000
  1 1 1      27    9   13 o    5.734000      0.2955000       5.771000 0.4185000       5.698000      0.4174000      0.7354000E-01  0.5911000
  1 1 1      27    9   14 o    3.624000      0.4418000       3.368000 0.6755000       3.880000      0.5695000     -0.5114000      0.8835000
  1 1 1      27    9   15 o    6.164000      0.2676000       5.984000 0.3921000       6.344000      0.3642000     -0.3594000      0.5352000
  1 1 1      27    9   16 o    3.793000      0.3865000       4.214000 0.4860000       3.371000      0.6011000      0.8425000      0.7730000
  1 1 1      27    9   17 o    4.625000      0.3037000       4.710000 0.4327000       4.540000      0.4264000      0.1699000      0.6074000
  1 1 1      27    9   18 o    7.000000      0.3208000       6.430000 0.5108000       7.570000      0.3882000      -1.140000      0.6415000
  1 1 1      27    9   19 o    5.731000      0.2406000       5.917000 0.3475000       5.544000      0.3329000      0.3730000      0.4812000
  1 1 1      27    9   20 o    1.496000      0.4370000       1.405000 0.6066000       1.586000      0.6292000     -0.1808000      0.8740000
  1 1 1      27    9   22 o    5.888000      0.1970000       5.908000 0.2885000       5.869000      0.2683000      0.3883000E-01  0.3940000
  1 1 1      27    9   23 o    1.516000      0.3957000       1.205000 0.5342000       1.826000      0.5840000     -0.6213000      0.7915000
  1 1 1      27    9   24 o    5.690000      0.1811000       5.428000 0.2713000       5.953000      0.2398000     -0.5244000      0.3621000
  1 1 1      27    9   25 o    6.460000      0.1824000       6.355000 0.2269000       6.566000      0.2857000     -0.2110000      0.3649000
  1 1 1      27    9   26 o    6.645000      0.1735000       6.575000 0.2076000       6.714000      0.2780000     -0.1394000      0.3470000
  1 1 1      27   10    0 o    7.802000      0.2874000       7.623000 0.4152000       7.981000      0.3974000     -0.3575000      0.5748000
  1 1 1      27   10    1 f    8.445000      0.2754000       8.319000 0.3982000       8.572000      0.3805000     -0.2523000      0.5508000
  1 1 1      27   10    2 o    11.72000      0.3697000       11.19000 0.5391000       12.25000      0.5060000      -1.060000      0.7394000
  1 1 1      27   10    3 o    10.34000      0.2617000       10.25000 0.3762000       10.44000      0.3640000     -0.1933000      0.5234000
  1 1 1      27   10    4 o    3.787000      0.4931000       3.494000 0.7701000       4.080000      0.6160000     -0.5859000      0.9861000
  1 1 1      27   10    5 o    5.837000      0.4676000       5.503000 0.6906000       6.171000      0.6307000     -0.6680000      0.9353000
  1 1 1      27   10    6 o    12.25000      0.3584000       12.66000 0.4952000       11.85000      0.5181000      0.8048000      0.7167000
  1 1 1      27   10    7 o    5.708000      0.3311000       5.784000 0.4614000       5.633000      0.4748000      0.1516000      0.6621000
  1 1 1      27   10    8 o    7.642000      0.2680000       7.787000 0.3814000       7.497000      0.3766000      0.2896000      0.5360000
  1 1 1      27   10    9 o    6.280000      0.2995000       6.460000 0.4155000       6.100000      0.4313000      0.3596000      0.5989000
  1 1 1      27   10   10 o    7.723000      0.2567000       7.751000 0.3713000       7.695000      0.3545000      0.5574000E-01  0.5134000
  1 1 1      27   10   11 o    2.265000      0.5523000       2.275000 0.7974000       2.255000      0.7642000      0.1973000E-01   1.105000
  1 1 1      27   10   12 o    3.819000      0.4422000       4.574000 0.5283000       3.065000      0.7093000       1.509000      0.8844000
  1 1 1      27   10   13 o    13.06000      0.2435000       13.21000 0.3495000       12.90000      0.3390000      0.3119000      0.4869000
  1 1 1      27   10   14 o    5.833000      0.2960000       5.342000 0.4536000       6.324000      0.3805000     -0.9821000      0.5920000
  1 1 1      27   10   15 o    6.879000      0.2545000       7.101000 0.3659000       6.657000      0.3539000      0.4442000      0.5090000
  1 1 1      27   10   16 o    4.308000      0.3498000       4.296000 0.5091000       4.321000      0.4797000     -0.2483000E-01  0.6995000
  1 1 1      27   10   17 o    11.31000      0.2206000       11.36000 0.3183000       11.25000      0.3056000      0.1121000      0.4412000
  1 1 1      27   10   18 o    3.354000      0.5468000       3.878000 0.8074000       2.830000      0.7375000       1.048000       1.094000
  1 1 1      27   10   19 o    2.457000      0.5274000       2.063000 0.8267000       2.851000      0.6551000     -0.7877000       1.055000
  1 1 1      27   10   20 o    5.557000      0.2402000       5.429000 0.3585000       5.685000      0.3197000     -0.2565000      0.4804000
  1 1 1      27   10   21 o    6.665000      0.3126000       6.598000 0.4133000       6.732000      0.4691000     -0.1336000      0.6252000
  1 1 1      27   10   22 o    5.492000      0.2184000       5.796000 0.3117000       5.187000      0.3059000      0.6087000      0.4368000
  1 1 1      27   10   23 o    1.638000      0.4041000       1.271000 0.5612000       2.004000      0.5815000     -0.7325000      0.8082000
  1 1 1      27   10   24 o    7.606000      0.2604000       7.846000 0.3561000       7.366000      0.3801000      0.4804000      0.5209000
  1 1 1      27   10   25 o    2.614000      0.3363000       2.486000 0.5191000       2.743000      0.4277000     -0.2574000      0.6726000
  1 1 1      27   10   26 o    1.935000      0.3801000       1.974000 0.5348000       1.895000      0.5403000      0.7832000E-01  0.7602000
  1 1 1      27   11    0 o    5.485000      0.3631000       5.487000 0.5159000       5.483000      0.5112000      0.4466000E-02  0.7263000
  1 1 1      27   11    1 o    4.243000      0.4654000       5.045000 0.5783000       3.441000      0.7293000       1.603000      0.9308000
  1 1 1      27   11    2 o    18.16000      0.4198000       18.10000 0.6003000       18.23000      0.5870000     -0.1243000      0.8396000
  1 1 1      27   11    3 o    11.13000      0.3167000       11.46000 0.5329000       10.79000      0.3425000      0.6677000      0.6335000
  1 1 1      27   11    4 o    3.731000      0.5020000       3.326000 0.7957000       4.136000      0.6121000     -0.8107000       1.004000
  1 1 1      27   11    5 o    4.906000      0.5401000       4.920000 0.7757000       4.891000      0.7518000      0.2916000E-01   1.080000
  1 1 1      27   11    6 o    3.126000      0.6771000       2.548000 0.9633000       3.704000      0.9519000      -1.156000       1.354000
  1 1 1      27   11    7 o    4.696000      0.3822000       4.834000 0.5372000       4.558000      0.5439000      0.2761000      0.7644000
  1 1 1      27   11    8 o    5.782000      0.3137000       5.684000 0.4604000       5.881000      0.4263000     -0.1974000      0.6274000
  1 1 1      27   11    9 o    6.075000      0.3051000       5.865000 0.4538000       6.285000      0.4078000     -0.4203000      0.6101000
  1 1 1      27   11   10 o    9.187000      0.2455000       9.407000 0.3490000       8.967000      0.3454000      0.4395000      0.4910000
  1 1 1      27   11   11 o    4.285000      0.3937000       4.304000 0.5807000       4.265000      0.5318000      0.3861000E-01  0.7874000
  1 1 1      27   11   12 o    4.214000      0.3881000       4.556000 0.5319000       3.872000      0.5653000      0.6835000      0.7762000
  1 1 1      27   11   13 o    8.258000      0.2435000       8.229000 0.3518000       8.286000      0.3366000     -0.5733000E-01  0.4869000
  1 1 1      27   11   14 o    6.783000      0.2641000       6.801000 0.3827000       6.764000      0.3639000      0.3735000E-01  0.5281000
  1 1 1      27   11   15 o    8.447000      0.2399000       8.420000 0.3514000       8.474000      0.3267000     -0.5368000E-01  0.4798000
  1 1 1      27   11   16 f    6.279000      0.2592000       6.228000 0.3840000       6.330000      0.3483000     -0.1017000      0.5184000
  1 1 1      27   11   17 o    4.008000      0.3944000       3.131000 0.6805000       4.884000      0.3990000      -1.752000      0.7888000
  1 1 1      27   11   18 o    6.897000      0.2296000       7.019000 0.3380000       6.776000      0.3108000      0.2430000      0.4592000
  1 1 1      27   11   19 o    5.538000      0.3328000       5.673000 0.5356000       5.403000      0.3950000      0.2699000      0.6655000
  1 1 1      27   11   20 o    6.739000      0.2153000       6.568000 0.3199000       6.910000      0.2882000     -0.3420000      0.4306000
  1 1 1      27   11   21 o    2.273000      0.4472000       2.518000 0.6503000       2.029000      0.6141000      0.4894000      0.8944000
  1 1 1      27   11   22 o    4.638000      0.4182000       4.890000 0.5152000       4.385000      0.6589000      0.5050000      0.8364000
  1 1 1      27   11   23 o    1.400000      0.4192000       1.525000 0.6251000       1.275000      0.5586000      0.2507000      0.8383000
  1 1 1      27   11   24 o    6.481000      0.2614000       6.872000 0.2622000       6.091000      0.4523000      0.7817000      0.5228000
  1 1 1      27   11   25 o    2.818000      0.3374000       2.615000 0.5366000       3.021000      0.4092000     -0.4063000      0.6749000
  1 1 1      27   11   26 o    3.082000      0.3130000       3.475000 0.4000000       2.690000      0.4814000      0.7855000      0.6259000
  1 1 1      27   12    0 o    3.406000      0.5418000       4.014000 0.6876000       2.797000      0.8376000       1.217000       1.084000
  1 1 1      27   12    1 o    4.682000      0.4169000       4.709000 0.6019000       4.655000      0.5771000      0.5415000E-01  0.8339000
  1 1 1      27   12    2 o    7.593000      0.4070000       7.612000 0.5970000       7.573000      0.5534000      0.3884000E-01  0.8140000
  1 1 1      27   12    3 o    7.654000      0.4045000       7.641000 0.6153000       7.666000      0.5253000     -0.2434000E-01  0.8090000
  1 1 1      27   12    4 o    2.160000      0.5716000       2.153000 0.8203000       2.166000      0.7963000     -0.1311000E-01   1.143000
  1 1 1      27   12    5 o    6.671000      0.4306000       6.583000 0.6279000       6.758000      0.5893000     -0.1752000      0.8612000
  1 1 1      27   12    6 o    12.74000      0.3595000       12.52000 0.4980000       12.95000      0.5185000     -0.4232000      0.7190000
  1 1 1      27   12    7 o    7.966000      0.2698000       7.793000 0.3905000       8.140000      0.3724000     -0.3471000      0.5396000
  1 1 1      27   12    8 o    10.75000      0.2478000       10.74000 0.3542000       10.76000      0.3467000     -0.2052000E-01  0.4957000
  1 1 1      27   12    9 o    10.50000      0.2470000       10.55000 0.3521000       10.45000      0.3464000      0.1024000      0.4939000
  1 1 1      27   12   10 o    5.803000      0.3056000       5.739000 0.4500000       5.867000      0.4136000     -0.1285000      0.6112000
  1 1 1      27   12   11 o    1.676000      0.5099000       1.666000 0.7318000       1.686000      0.7103000     -0.1905000E-01   1.020000
  1 1 1      27   12   12 o    7.929000      0.2569000       8.238000 0.3625000       7.620000      0.3642000      0.6180000      0.5139000
  1 1 1      27   12   13 o    6.986000      0.2711000       7.560000 0.3753000       6.412000      0.3914000       1.148000      0.5422000
  1 1 1      27   12   14 o    10.75000      0.2344000       11.05000 0.3384000       10.46000      0.3243000      0.5903000      0.4687000
  1 1 1      27   12   15 o    8.608000      0.2400000       8.448000 0.3582000       8.768000      0.3194000     -0.3200000      0.4800000
  1 1 1      27   12   16 o    8.197000      0.2350000       8.213000 0.3484000       8.182000      0.3154000      0.3108000E-01  0.4699000
  1 1 1      27   12   17 f    2.291000      0.5137000       2.536000 0.7441000       2.046000      0.7086000      0.4898000       1.027000
  1 1 1      27   12   18 o    5.404000      0.2726000       5.278000 0.4226000       5.530000      0.3446000     -0.2514000      0.5453000
  1 1 1      27   12   19 o    8.071000      0.2819000       7.733000 0.4421000       8.409000      0.3499000     -0.6754000      0.5638000
  1 1 1      27   12   20 o    7.917000      0.2673000       7.817000 0.4139000       8.017000      0.3384000     -0.2000000      0.5346000
  1 1 1      27   12   21 o    1.474000      0.4186000       1.255000 0.5742000       1.694000      0.6092000     -0.4386000      0.8371000
  1 1 1      27   12   22 o    3.313000      0.5173000       3.313000 0.5173000                  ?              ?              ?              ?
  1 1 1      27   12   23 o    2.215000      0.5604000       2.446000 0.7792000       1.985000      0.8056000      0.4618000       1.121000
  1 1 1      27   12   24 o    4.009000      0.4627000       3.372000 0.7494000       4.647000      0.5428000      -1.275000      0.9254000
  1 1 1      27   12   25 o    3.631000      0.2867000       3.474000 0.4444000       3.788000      0.3623000     -0.3142000      0.5734000
  1 1 1      27   12   26 o    1.258000      0.3959000       1.349000 0.5902000       1.166000      0.5277000      0.1827000      0.7917000
  1 1 1      27   13    0 o    6.998000      0.3201000       6.326000 0.4932000       7.670000      0.4081000      -1.344000      0.6401000
  1 1 1      27   13    1 f    5.932000      0.3424000       6.216000 0.4829000       5.649000      0.4855000      0.5668000      0.6848000
  1 1 1      27   13    2 o    9.745000      0.2648000       9.641000 0.3846000       9.849000      0.3642000     -0.2076000      0.5296000
  1 1 1      27   13    3 o    8.718000      0.3772000       8.382000 0.5741000       9.054000      0.4895000     -0.6716000      0.7545000
  1 1 1      27   13    4 o    2.213000      0.5645000       2.550000 0.8365000       1.876000      0.7583000      0.6734000       1.129000
  1 1 1      27   13    5 o    2.921000      0.5539000       3.172000 0.7789000       2.670000      0.7878000      0.5018000       1.108000
  1 1 1      27   13    6 o    9.767000      0.3660000       9.180000 0.5058000       10.35000      0.5290000      -1.175000      0.7319000
  1 1 1      27   13    7 o    4.639000      0.5237000       4.941000 0.5344000       4.337000      0.9009000      0.6042000       1.047000
  1 1 1      27   13    8 o    11.47000      0.2493000       11.44000 0.3565000       11.50000      0.3485000     -0.5839000E-01  0.4985000
  1 1 1      27   13    9 o    7.811000      0.2641000       7.835000 0.3794000       7.786000      0.3675000      0.4940000E-01  0.5282000
  1 1 1      27   13   10 o    6.382000      0.2906000       6.106000 0.4308000       6.659000      0.3902000     -0.5539000      0.5812000
  1 1 1      27   13   11 o    9.328000      0.2447000       9.745000 0.3502000       8.911000      0.3420000      0.8341000      0.4895000
  1 1 1      27   13   12 o    11.63000      0.2424000       11.79000 0.3498000       11.48000      0.3357000      0.3068000      0.4848000
  1 1 1      27   13   13 o    9.105000      0.2416000       9.372000 0.3520000       8.839000      0.3310000      0.5333000      0.4832000
  1 1 1      27   13   14 o    6.944000      0.2675000       6.900000 0.4006000       6.989000      0.3546000     -0.8919000E-01  0.5350000
  1 1 1      27   13   15 o    14.77000      0.2512000       14.89000 0.3596000       14.66000      0.3507000      0.2240000      0.5023000
  1 1 1      27   13   16 o    6.627000      0.2639000       6.827000 0.3869000       6.427000      0.3589000      0.3997000      0.5277000
  1 1 1      27   13   17 o    2.600000      0.5169000       2.599000 0.7586000       2.601000      0.7022000     -0.1743000E-02   1.034000
  1 1 1      27   13   18 o    4.876000      0.2902000       4.859000 0.4584000       4.893000      0.3558000     -0.3428000E-01  0.5803000
  1 1 1      27   13   19 o    9.274000      0.2081000       9.179000 0.3061000       9.370000      0.2821000     -0.1909000      0.4163000
  1 1 1      27   13   20 o    2.302000      0.5236000       2.173000 0.8230000       2.431000      0.6475000     -0.2573000       1.047000
  1 1 1      27   13   21 o    8.541000      0.2560000       8.458000 0.3931000       8.625000      0.3279000     -0.1672000      0.5119000
  1 1 1      27   13   22 o    1.212000      0.5614000       1.212000 0.5614000                  ?              ?              ?              ?
  1 1 1      27   13   23 o    1.640000      0.4496000       1.626000 0.6447000       1.654000      0.6270000     -0.2764000E-01  0.8993000
  1 1 1      27   13   24 o    1.971000      0.7929000                  ?       ?   1.971000      0.7929000                  ?              ?
  1 1 1      27   13   25 o    2.725000      0.5581000       3.139000 0.7723000       2.310000      0.8060000      0.8295000       1.116000
  1 1 1      27   13   26 o    1.696000      0.4718000       1.595000 0.6484000       1.797000      0.6856000     -0.2018000      0.9437000
  1 1 1      27   14    0 o    4.968000      0.4007000       4.562000 0.6225000       5.373000      0.5049000     -0.8115000      0.8015000
  1 1 1      27   14    1 o    5.069000      0.3933000       5.054000 0.5961000       5.084000      0.5131000     -0.2940000E-01  0.7866000
  1 1 1      27   14    2 o    3.647000      0.5248000       3.797000 0.7502000       3.497000      0.7342000      0.2999000       1.050000
  1 1 1      27   14    3 o    3.805000      0.6199000       2.635000 0.9940000       4.975000      0.7410000      -2.340000       1.240000
  1 1 1      27   14    4 o    8.472000      0.3732000       8.755000 0.5486000       8.190000      0.5060000      0.5651000      0.7464000
  1 1 1      27   14    5 o    4.177000      0.4547000       3.928000 0.7198000       4.426000      0.5556000     -0.4979000      0.9093000
  1 1 1      27   14    6 o    7.563000      0.4197000       7.898000 0.5895000       7.229000      0.5976000      0.6696000      0.8395000
  1 1 1      27   14    7 f    11.77000      0.3719000       11.66000 0.5111000       11.89000      0.5402000     -0.2280000      0.7437000
  1 1 1      27   14    8 o    4.217000      0.4172000       4.259000 0.6178000       4.175000      0.5608000      0.8414000E-01  0.8344000
  1 1 1      27   14    9 o    5.275000      0.3594000       4.857000 0.5552000       5.693000      0.4565000     -0.8361000      0.7188000
  1 1 1      27   14   10 o    3.757000      0.4698000       3.803000 0.7116000       3.712000      0.6136000      0.9140000E-01  0.9396000
  1 1 1      27   14   11 o    11.39000      0.2452000       11.43000 0.3535000       11.36000      0.3399000      0.7755000E-01  0.4904000
  1 1 1      27   14   12 o    8.128000      0.2584000       7.922000 0.3825000       8.333000      0.3476000     -0.4109000      0.5168000
  1 1 1      27   14   13 o    3.293000      0.5033000       3.332000 0.7461000       3.253000      0.6757000      0.7865000E-01   1.007000
  1 1 1      27   14   14 o    11.70000      0.2358000       11.66000 0.3363000       11.74000      0.3306000     -0.8005000E-01  0.4716000
  1 1 1      27   14   15 o    15.78000      0.2591000       15.72000 0.3646000       15.83000      0.3682000     -0.1063000      0.5182000
  1 1 1      27   14   16 o    10.32000      0.2313000       10.31000 0.3310000       10.34000      0.3231000     -0.3676000E-01  0.4625000
  1 1 1      27   14   17 o    9.834000      0.2230000       9.945000 0.3261000       9.723000      0.3042000      0.2214000      0.4460000
  1 1 1      27   14   18 o    10.34000      0.2183000       10.14000 0.3173000       10.54000      0.2999000     -0.4040000      0.4366000
  1 1 1      27   14   19 o    5.578000      0.2586000       5.409000 0.4106000       5.747000      0.3146000     -0.3384000      0.5172000
  1 1 1      27   14   20 o    4.090000      0.3123000       4.128000 0.4815000       4.051000      0.3978000      0.7684000E-01  0.6245000
  1 1 1      27   14   21 o    10.75000      0.2101000       10.82000 0.2968000       10.68000      0.2975000      0.1320000      0.4202000
  1 1 1      27   14   22 f    3.814000      0.4027000       3.589000 0.6843000       4.039000      0.4248000     -0.4499000      0.8054000
  1 1 1      27   14   23 f    3.518000      0.4667000       3.255000 0.7815000       3.782000      0.5101000     -0.5270000      0.9333000
  1 1 1      27   14   24 f    7.378000      0.2455000       6.923000 0.3468000       7.832000      0.3477000     -0.9088000      0.4911000
  1 1 1      27   14   25 o    1.469000      0.4424000       1.497000 0.6349000       1.441000      0.6163000      0.5568000E-01  0.8848000
  1 1 1      27   14   26 o    2.034000      0.5463000       2.162000 0.7847000       1.907000      0.7601000      0.2545000       1.093000
  1 1 1      27   15    0 o    13.44000      0.2739000       13.77000 0.3946000       13.11000      0.3799000      0.6612000      0.5477000
  1 1 1      27   15    1 o    3.340000      0.5809000       3.190000 0.8943000       3.490000      0.7417000     -0.3004000       1.162000
  1 1 1      27   15    2 o    7.166000      0.3131000       6.898000 0.4697000       7.433000      0.4143000     -0.5351000      0.6262000
  1 1 1      27   15    3 o    12.79000      0.2646000       12.72000 0.3784000       12.87000      0.3701000     -0.1546000      0.5293000
  1 1 1      27   15    4 o    11.35000      0.3620000       11.72000 0.5468000       10.98000      0.4744000      0.7414000      0.7240000
  1 1 1      27   15    5 o    10.22000      0.2600000       9.946000 0.3822000       10.49000      0.3526000     -0.5488000      0.5201000
  1 1 1      27   15    6 o    2.322000      0.5382000       1.682000 0.7490000       2.961000      0.7732000      -1.279000       1.076000
  1 1 1      27   15    7 f    8.918000      0.4034000       9.107000 0.5527000       8.728000      0.5877000      0.3790000      0.8068000
  1 1 1      27   15    8 o    6.354000      0.4886000       6.619000 0.6539000       6.089000      0.7263000      0.5304000      0.9772000
  1 1 1      27   15    9 o    3.588000      0.4863000       3.512000 0.7332000       3.663000      0.6392000     -0.1518000      0.9727000
  1 1 1      27   15   10 o    10.02000      0.2476000       10.08000 0.3572000       9.970000      0.3431000      0.1064000      0.4953000
  1 1 1      27   15   11 o    13.79000      0.2527000       13.79000 0.3629000       13.79000      0.3517000      0.1674000E-02  0.5054000
  1 1 1      27   15   12 o    10.44000      0.2431000       10.49000 0.3538000       10.39000      0.3335000      0.9483000E-01  0.4862000
  1 1 1      27   15   13 o    11.54000      0.2414000       11.62000 0.3489000       11.45000      0.3337000      0.1640000      0.4828000
  1 1 1      27   15   14 o    15.89000      0.2625000       15.80000 0.3719000       15.98000      0.3706000     -0.1806000      0.5250000
  1 1 1      27   15   15 o    10.52000      0.2330000       10.54000 0.3363000       10.50000      0.3226000      0.4151000E-01  0.4660000
  1 1 1      27   15   16 o    11.48000      0.2295000       11.50000 0.3335000       11.46000      0.3155000      0.3689000E-01  0.4591000
  1 1 1      27   15   17 o    8.594000      0.2310000       8.523000 0.3413000       8.665000      0.3112000     -0.1419000      0.4619000
  1 1 1      27   15   18 o    3.076000      0.4578000       3.648000 0.6198000       2.503000      0.6738000       1.145000      0.9156000
  1 1 1      27   15   19 o    3.700000      0.3962000       3.127000 0.6711000       4.272000      0.4214000      -1.145000      0.7925000
  1 1 1      27   15   20 o    8.365000      0.2123000       8.197000 0.3114000       8.532000      0.2886000     -0.3346000      0.4245000
  1 1 1      27   15   21 f    9.024000      0.2035000       8.879000 0.2915000       9.169000      0.2841000     -0.2899000      0.4071000
  1 1 1      27   15   22 o    1.964000      0.4566000       2.542000 0.6876000       1.385000      0.6009000       1.157000      0.9132000
  1 1 1      27   15   23 o    2.163000      0.4915000       2.482000 0.6731000       1.844000      0.7165000      0.6381000      0.9831000
  1 1 1      27   15   24 o    5.524000      0.3379000       5.086000 0.5490000       5.962000      0.3939000     -0.8758000      0.6757000
  1 1 1      27   15   25 o    2.337000      0.5853000       2.070000 0.8531000       2.603000      0.8016000     -0.5330000       1.171000
  1 1 1      27   15   26 o    2.034000      0.5198000       2.240000 0.7450000       1.829000      0.7249000      0.4110000       1.040000
  1 1 1      27   16    0 o    14.16000      0.2746000       13.90000 0.3885000       14.42000      0.3881000     -0.5200000      0.5491000
  1 1 1      27   16    1 o    9.335000      0.2813000       9.020000 0.4148000       9.650000      0.3801000     -0.6303000      0.5626000
  1 1 1      27   16    2 o    9.751000      0.2751000       9.993000 0.3948000       9.509000      0.3834000      0.4843000      0.5503000
  1 1 1      27   16    3 o    14.29000      0.2716000       14.47000 0.3892000       14.10000      0.3791000      0.3699000      0.5433000
  1 1 1      27   16    4 o    9.232000      0.3633000       9.262000 0.5537000       9.202000      0.4704000      0.6037000E-01  0.7265000
  1 1 1      27   16    5 o    7.847000      0.3847000       8.087000 0.5962000       7.608000      0.4864000      0.4786000      0.7694000
  1 1 1      27   16    6 o    10.81000      0.2568000       10.56000 0.3784000       11.05000      0.3472000     -0.4859000      0.5136000
  1 1 1      27   16    7 o    8.417000      0.2733000       8.390000 0.3998000       8.444000      0.3728000     -0.5408000E-01  0.5467000
  1 1 1      27   16    8 o    3.976000      0.6489000       5.020000 0.7565000       2.931000       1.054000       2.089000       1.298000
  1 1 1      27   16    9 o    5.902000      0.5080000       5.848000 0.6750000       5.955000      0.7595000     -0.1067000       1.016000
  1 1 1      27   16   10 f    12.01000      0.2490000       11.95000 0.3553000       12.07000      0.3488000     -0.1215000      0.4979000
  1 1 1      27   16   11 o    7.058000      0.2790000       7.083000 0.4140000       7.034000      0.3741000      0.4938000E-01  0.5580000
  1 1 1      27   16   12 f    1.597000      0.4897000       1.976000 0.7856000       1.218000      0.5848000      0.7575000      0.9794000
  1 1 1      27   16   13 f    10.27000      0.2423000       10.22000 0.3536000       10.33000      0.3313000     -0.1078000      0.4845000
  1 1 1      27   16   14 o    7.935000      0.2581000       8.085000 0.3768000       7.785000      0.3528000      0.2996000      0.5161000
  1 1 1      27   16   15 o    9.298000      0.2357000       9.613000 0.3454000       8.983000      0.3210000      0.6300000      0.4715000
  1 1 1      27   16   16 o    2.064000      0.4933000       1.576000 0.6998000       2.553000      0.6955000     -0.9774000      0.9866000
  1 1 1      27   16   17 o    9.049000      0.2277000       9.043000 0.3294000       9.055000      0.3145000     -0.1133000E-01  0.4555000
  1 1 1      27   16   18 o    6.646000      0.2486000       6.328000 0.3777000       6.964000      0.3234000     -0.6357000      0.4972000
  1 1 1      27   16   19 o    5.815000      0.2590000       5.808000 0.3884000       5.821000      0.3427000     -0.1309000E-01  0.5180000
  1 1 1      27   16   20 o    5.177000      0.2629000       5.140000 0.3957000       5.214000      0.3463000     -0.7371000E-01  0.5258000
  1 1 1      27   16   21 o    4.540000      0.3051000       4.443000 0.4699000       4.637000      0.3893000     -0.1942000      0.6102000
  1 1 1      27   16   22 o    2.840000      0.4115000       1.786000 0.6957000       3.894000      0.4398000      -2.107000      0.8231000
  1 1 1      27   16   23 o    1.805000      0.4885000       1.832000 0.6896000       1.778000      0.6921000      0.5311000E-01  0.9770000
  1 1 1      27   16   24 o    4.743000      0.2957000       4.440000 0.4358000       5.047000      0.3999000     -0.6068000      0.5915000
  1 1 1      27   16   25 o    1.626000      0.4671000       1.276000 0.5957000       1.975000      0.7197000     -0.6986000      0.9342000
  1 1 1      27   16   26 o    2.895000       1.044000       2.895000 1.044000                  ?              ?              ?              ?
  1 1 1      27   17    0 o    3.220000      0.5947000       3.272000 0.8599000       3.168000      0.8217000      0.1038000       1.189000
  1 1 1      27   17    1 o    16.51000      0.2897000       16.44000 0.4117000       16.58000      0.4078000     -0.1470000      0.5795000
  1 1 1      27   17    2 o    2.255000      0.5998000       2.101000 0.8609000       2.410000      0.8354000     -0.3094000       1.200000
  1 1 1      27   17    3 o    3.476000      0.5204000       4.753000 0.6358000       2.199000      0.8241000       2.554000       1.041000
  1 1 1      27   17    4 o    5.234000      0.3779000       5.402000 0.5554000       5.067000      0.5127000      0.3350000      0.7559000
  1 1 1      27   17    5 o    3.420000      0.6481000       4.524000 0.9461000       2.315000      0.8859000       2.209000       1.296000
  1 1 1      27   17    6 o    4.560000      0.5670000       4.482000 0.9141000       4.638000      0.6710000     -0.1567000       1.134000
  1 1 1      27   17    7 o    3.126000      0.5580000       2.979000 0.8408000       3.273000      0.7338000     -0.2944000       1.116000
  1 1 1      27   17    8 o    3.378000      0.5176000       3.528000 0.7507000       3.227000      0.7129000      0.3004000       1.035000
  1 1 1      27   17    9 o    3.370000      0.7344000       3.329000 0.9941000       3.412000       1.081000     -0.8337000E-01   1.469000
  1 1 1      27   17   10 o    5.718000      0.5157000       5.567000 0.7002000       5.870000      0.7572000     -0.3032000       1.031000
  1 1 1      27   17   11 o    3.805000      0.4755000       3.701000 0.7266000       3.910000      0.6135000     -0.2084000      0.9510000
  1 1 1      27   17   12 f    8.958000      0.2546000       8.702000 0.3689000       9.215000      0.3509000     -0.5134000      0.5091000
  1 1 1      27   17   13 o    4.987000      0.3504000       4.924000 0.5409000       5.050000      0.4455000     -0.1258000      0.7008000
  1 1 1      27   17   14 o    2.202000      0.5378000       2.153000 0.8043000       2.251000      0.7140000     -0.9814000E-01   1.076000
  1 1 1      27   17   15 o    2.928000      0.5156000       2.770000 0.8251000       3.086000      0.6186000     -0.3164000       1.031000
  1 1 1      27   17   16 o    7.924000      0.2457000       7.894000 0.3665000       7.953000      0.3273000     -0.5818000E-01  0.4914000
  1 1 1      27   17   17 o    6.732000      0.2512000       6.821000 0.3725000       6.643000      0.3372000      0.1783000      0.5025000
  1 1 1      27   17   18 o    10.66000      0.2229000       10.72000 0.3213000       10.60000      0.3090000      0.1165000      0.4458000
  1 1 1      27   17   19 o    3.874000      0.3609000       3.977000 0.5511000       3.771000      0.4661000      0.2055000      0.7218000
  1 1 1      27   17   20 o    4.204000      0.3279000       4.712000 0.4571000       3.696000      0.4702000       1.016000      0.6558000
  1 1 1      27   17   21 o    2.815000      0.4703000       2.271000 0.7456000       3.358000      0.5734000      -1.088000      0.9406000
  1 1 1      27   17   22 o    3.033000      0.4509000       3.272000 0.6161000       2.795000      0.6586000      0.4774000      0.9019000
  1 1 1      27   17   23 o    1.997000      0.7294000       1.997000 0.7294000                  ?              ?              ?              ?
  1 1 1      27   17   24 o    2.554000      0.4643000       3.358000 0.5876000       1.750000      0.7190000       1.608000      0.9286000
  1 1 1      27   17   25 o    2.298000      0.5267000       1.717000 0.7676000       2.879000      0.7215000      -1.162000       1.053000
  1 1 1      27   18    0 o    2.967000      0.6013000       2.517000 0.9024000       3.417000      0.7950000     -0.8992000       1.203000
  1 1 1      27   18    1 o    6.684000      0.3450000       6.511000 0.5240000       6.856000      0.4488000     -0.3448000      0.6899000
  1 1 1      27   18    2 o    8.458000      0.2920000       8.508000 0.4326000       8.407000      0.3923000      0.1009000      0.5840000
  1 1 1      27   18    3 o    5.717000      0.3503000       5.854000 0.5100000       5.581000      0.4802000      0.2731000      0.7005000
  1 1 1      27   18    4 o    7.074000      0.3167000       6.864000 0.4678000       7.285000      0.4271000     -0.4209000      0.6334000
  1 1 1      27   18    5 o    2.488000      0.5515000       1.769000 0.7804000       3.208000      0.7793000      -1.439000       1.103000
  1 1 1      27   18    6 o    3.355000      0.6348000       2.808000 1.018000       3.903000      0.7581000      -1.096000       1.270000
  1 1 1      27   18    7 o    2.458000      0.6558000       2.328000 0.9790000       2.589000      0.8727000     -0.2609000       1.312000
  1 1 1      27   18    8 o    2.679000      0.5857000       2.524000 0.8711000       2.834000      0.7833000     -0.3100000       1.171000
  1 1 1      27   18    9 o    3.454000      0.5110000       4.332000 0.6520000       2.576000      0.7870000       1.756000       1.022000
  1 1 1      27   18   10 o    3.709000      0.7113000       2.830000 1.046000       4.588000      0.9642000      -1.759000       1.423000
  1 1 1      27   18   11 o    6.232000      0.5150000       6.374000 0.6614000       6.091000      0.7896000      0.2828000       1.030000
  1 1 1      27   18   12 o    12.74000      0.2490000       12.60000 0.3561000       12.87000      0.3481000     -0.2717000      0.4980000
  1 1 1      27   18   13 o    2.629000      0.5484000       2.777000 0.8215000       2.482000      0.7268000      0.2949000       1.097000
  1 1 1      27   18   14 f    1.602000      0.4951000       1.720000 0.7431000       1.484000      0.6546000      0.2361000      0.9903000
  1 1 1      27   18   15 o    8.404000      0.2460000       8.441000 0.3687000       8.366000      0.3256000      0.7487000E-01  0.4919000
  1 1 1      27   18   16 o    2.738000      0.5305000       2.575000 0.8149000       2.901000      0.6796000     -0.3265000       1.061000
  1 1 1      27   18   17 o    3.104000      0.4790000       3.022000 0.7210000       3.187000      0.6307000     -0.1648000      0.9579000
  1 1 1      27   18   18 o    3.704000      0.4148000       3.311000 0.6730000       4.097000      0.4849000     -0.7860000      0.8295000
  1 1 1      27   18   19 o    4.272000      0.3402000       4.084000 0.5263000       4.460000      0.4312000     -0.3760000      0.6804000
  1 1 1      27   18   20 f    6.901000      0.2675000       6.421000 0.3802000       7.382000      0.3762000     -0.9605000      0.5349000
  1 1 1      27   18   21 o    2.184000      0.5209000       2.118000 0.7671000       2.249000      0.7049000     -0.1307000       1.042000
  1 1 1      27   18   22 o    1.968000      0.5217000       2.185000 0.7538000       1.750000      0.7213000      0.4351000       1.043000
  1 1 1      27   18   23 o    4.205000      0.4958000       4.205000 0.4958000                  ?              ?              ?              ?
  1 1 1      27   18   24 o    2.822000      0.5162000       3.159000 0.6632000       2.485000      0.7911000      0.6739000       1.032000
  1 1 1      27   18   25 o    1.918000      0.7810000                  ?       ?   1.918000      0.7810000                  ?              ?
  1 1 1      27   19    0 o    2.096000      0.5807000       2.604000 0.9065000       1.587000      0.7261000       1.017000       1.161000
  1 1 1      27   19    1 o    4.546000      0.4797000       5.380000 0.5823000       3.712000      0.7626000       1.667000      0.9595000
  1 1 1      27   19    2 o    2.465000      0.6143000       2.344000 0.9016000       2.586000      0.8347000     -0.2421000       1.229000
  1 1 1      27   19    3 o    10.48000      0.2722000       10.74000 0.3904000       10.21000      0.3794000      0.5298000      0.5444000
  1 1 1      27   19    4 o    3.534000      0.5577000       3.092000 0.8693000       3.975000      0.6989000     -0.8824000       1.115000
  1 1 1      27   19    5 o    11.29000      0.2660000       11.08000 0.3803000       11.50000      0.3721000     -0.4264000      0.5321000
  1 1 1      27   19    6 o    9.852000      0.2638000       9.398000 0.3841000       10.31000      0.3616000     -0.9073000      0.5275000
  1 1 1      27   19    7 o    2.300000      0.6530000       2.220000 0.9740000       2.379000      0.8701000     -0.1588000       1.306000
  1 1 1      27   19    8 o    3.436000      0.6641000       3.670000 1.028000       3.201000      0.8410000      0.4689000       1.328000
  1 1 1      27   19    9 o    7.158000      0.4065000       6.926000 0.4406000       7.389000      0.6833000     -0.4638000      0.8131000
  1 1 1      27   19   10 o    2.997000      0.5686000       3.243000 0.8354000       2.750000      0.7717000      0.4927000       1.137000
  1 1 1      27   19   11 o    7.166000      0.2853000       6.796000 0.4472000       7.536000      0.3543000     -0.7398000      0.5706000
  1 1 1      27   19   12 o    3.561000      0.7572000       3.256000 1.030000       3.867000       1.111000     -0.6113000       1.514000
  1 1 1      27   19   13 o    6.164000      0.5222000       5.553000 0.7524000       6.775000      0.7243000      -1.222000       1.044000
  1 1 1      27   19   14 o    5.509000      0.3135000       5.532000 0.4809000       5.485000      0.4022000      0.4732000E-01  0.6269000
  1 1 1      27   19   15 o    5.823000      0.3019000       5.759000 0.4649000       5.887000      0.3853000     -0.1275000      0.6038000
  1 1 1      27   19   16 o    6.655000      0.2637000       6.531000 0.3923000       6.779000      0.3524000     -0.2476000      0.5273000
  1 1 1      27   19   17 f    7.520000      0.2434000       7.556000 0.3550000       7.484000      0.3330000      0.7237000E-01  0.4867000
  1 1 1      27   19   18 o    5.346000      0.2865000       5.423000 0.4208000       5.269000      0.3889000      0.1547000      0.5731000
  1 1 1      27   19   19 o    2.268000      0.5333000       2.147000 0.7724000       2.390000      0.7355000     -0.2438000       1.067000
  1 1 1      27   19   20 o    3.648000      0.4197000       3.643000 0.6334000       3.654000      0.5507000     -0.1130000E-01  0.8393000
  1 1 1      27   19   21 o    2.337000      0.5425000       2.613000 0.7831000       2.061000      0.7509000      0.5521000       1.085000
  1 1 1      27   19   22 o    2.240000      0.5469000       2.524000 0.7980000       1.956000      0.7481000      0.5680000       1.094000
  1 1 1      27   19   23 o    1.635000      0.4875000       2.108000 0.8062000       1.162000      0.5482000      0.9455000      0.9749000
  1 1 1      27   19   24 o    3.780000      0.4403000       4.026000 0.5874000       3.535000      0.6560000      0.4915000      0.8805000
  1 1 1      27   19   25 o    2.140000      0.8190000                  ?       ?   2.140000      0.8190000                  ?              ?
  1 1 1      27   20    0 o    3.875000      0.5270000       3.630000 0.7983000       4.119000      0.6883000     -0.4887000       1.054000
  1 1 1      27   20    1 o    4.089000      0.5251000       3.445000 0.8660000       4.734000      0.5941000      -1.289000       1.050000
  1 1 1      27   20    2 o    13.38000      0.2707000       13.74000 0.3877000       13.01000      0.3778000      0.7308000      0.5414000
  1 1 1      27   20    3 o    8.679000      0.2882000       8.920000 0.4237000       8.437000      0.3909000      0.4831000      0.5764000
  1 1 1      27   20    4 o    2.116000      0.5707000       2.571000 0.8805000       1.661000      0.7263000      0.9096000       1.141000
  1 1 1      27   20    5 o    11.93000      0.2634000       12.19000 0.3805000       11.67000      0.3643000      0.5172000      0.5268000
  1 1 1      27   20    6 o    4.023000      0.4931000       4.816000 0.6268000       3.231000      0.7614000       1.586000      0.9862000
  1 1 1      27   20    7 o    9.005000      0.2731000       8.740000 0.4076000       9.271000      0.3637000     -0.5304000      0.5463000
  1 1 1      27   20    8 o    3.150000      0.5688000       3.376000 0.8337000       2.924000      0.7739000      0.4525000       1.138000
  1 1 1      27   20    9 o    3.344000      0.6558000       4.146000 1.007000       2.541000      0.8399000       1.604000       1.312000
  1 1 1      27   20   10 o    7.198000      0.3634000       7.011000 0.5799000       7.385000      0.4382000     -0.3740000      0.7269000
  1 1 1      27   20   11 o    2.475000      0.5772000       2.795000 0.8765000       2.156000      0.7511000      0.6389000       1.154000
  1 1 1      27   20   12 f    3.699000      0.4868000       2.561000 0.8626000       4.837000      0.4515000      -2.276000      0.9736000
  1 1 1      27   20   13 o    3.180000      0.5017000       3.307000 0.7509000       3.053000      0.6654000      0.2534000       1.003000
  1 1 1      27   20   14 o    4.758000      0.6434000       4.848000 0.8332000       4.669000      0.9807000      0.1792000       1.287000
  1 1 1      27   20   15 o    3.022000      0.7288000       3.469000 0.9928000       2.574000       1.067000      0.8949000       1.458000
  1 1 1      27   20   16 o    5.178000      0.3195000       5.087000 0.4826000       5.270000      0.4189000     -0.1830000      0.6390000
  1 1 1      27   20   17 o    3.499000      0.4339000       3.607000 0.6344000       3.392000      0.5922000      0.2151000      0.8679000
  1 1 1      27   20   18 o    3.451000      0.4252000       3.090000 0.6883000       3.813000      0.4995000     -0.7228000      0.8504000
  1 1 1      27   20   19 o    4.179000      0.3826000       3.967000 0.6079000       4.390000      0.4649000     -0.4235000      0.7653000
  1 1 1      27   20   20 o    1.732000      0.4795000       1.295000 0.6158000       2.170000      0.7350000     -0.8751000      0.9589000
  1 1 1      27   20   21 o    1.744000      0.5054000       2.104000 0.7812000       1.384000      0.6415000      0.7208000       1.011000
  1 1 1      27   20   22 o    1.416000      0.4630000       1.378000 0.6453000       1.455000      0.6640000     -0.7686000E-01  0.9259000
  1 1 1      27   20   23 o    1.707000      0.5160000       2.010000 0.7928000       1.404000      0.6609000      0.6057000       1.032000
  1 1 1      27   20   24 o    1.997000      0.5749000       2.167000 0.8348000       1.828000      0.7906000      0.3384000       1.150000
  1 1 1      27   21    0 o    2.649000      0.6454000       2.673000 0.9526000       2.625000      0.8712000      0.4845000E-01   1.291000
  1 1 1      27   21    1 o    12.54000      0.2747000       12.58000 0.3940000       12.51000      0.3830000      0.7067000E-01  0.5494000
  1 1 1      27   21    2 o    10.27000      0.2814000       10.23000 0.4152000       10.31000      0.3800000     -0.8210000E-01  0.5628000
  1 1 1      27   21    3 o    8.804000      0.2841000       8.840000 0.4073000       8.767000      0.3961000      0.7290000E-01  0.5682000
  1 1 1      27   21    4 o    6.924000      0.3310000       6.479000 0.5173000       7.370000      0.4132000     -0.8912000      0.6621000
  1 1 1      27   21    5 o    7.664000      0.2976000       7.704000 0.4343000       7.625000      0.4070000      0.7928000E-01  0.5952000
  1 1 1      27   21    6 o    2.148000      0.5859000       2.623000 0.9135000       1.672000      0.7338000      0.9511000       1.172000
  1 1 1      27   21    7 o    7.365000      0.3004000       7.316000 0.4436000       7.413000      0.4051000     -0.9678000E-01  0.6008000
  1 1 1      27   21    8 o    7.664000      0.2885000       7.525000 0.4390000       7.802000      0.3744000     -0.2768000      0.5770000
  1 1 1      27   21    9 o    3.405000      0.5241000       3.793000 0.7652000       3.017000      0.7164000      0.7755000       1.048000
  1 1 1      27   21   10 f    8.836000      0.2648000       8.980000 0.3947000       8.691000      0.3531000      0.2893000      0.5296000
  1 1 1      27   21   11 o    7.961000      0.3544000       7.797000 0.5746000       8.126000      0.4149000     -0.3290000      0.7087000
  1 1 1      27   21   12 o    6.271000      0.4087000       6.106000 0.6776000       6.436000      0.4572000     -0.3301000      0.8174000
  1 1 1      27   21   13 o    2.977000      0.5428000       2.548000 0.8639000       3.407000      0.6573000     -0.8598000       1.086000
  1 1 1      27   21   14 o    3.235000      0.5033000       3.184000 0.7573000       3.285000      0.6631000     -0.1004000       1.007000
  1 1 1      27   21   15 f    4.380000      0.3807000       4.705000 0.5330000       4.055000      0.5438000      0.6497000      0.7615000
  1 1 1      27   21   16 o    3.904000      0.6747000       4.700000 0.8108000       3.109000       1.079000       1.590000       1.349000
  1 1 1      27   21   17 o    4.214000      0.6541000       5.397000 0.6798000       3.032000       1.118000       2.365000       1.308000
  1 1 1      27   21   18 o    5.841000      0.5247000       6.207000 0.5950000       5.475000      0.8645000      0.7319000       1.049000
  1 1 1      27   21   19 f    7.989000      0.2469000       7.903000 0.3639000       8.075000      0.3337000     -0.1715000      0.4938000
  1 1 1      27   21   20 o    3.743000      0.4637000       4.285000 0.6063000       3.200000      0.7018000       1.085000      0.9274000
  1 1 1      27   21   21 o    1.911000      0.5395000       2.195000 0.8163000       1.628000      0.7054000      0.5662000       1.079000
  1 1 1      27   21   22 f    2.619000      0.5743000       2.984000 0.8113000       2.254000      0.8130000      0.7299000       1.149000
  1 1 1      27   21   23 o    2.697000      0.5972000       2.582000 0.8379000       2.812000      0.8512000     -0.2292000       1.194000
  1 1 1      27   21   24 o    1.399000      0.6693000       1.399000 0.6693000                  ?              ?              ?              ?
  1 1 1      27   22    0 o    3.016000      0.5990000       2.361000 0.9267000       3.672000      0.7591000      -1.311000       1.198000
  1 1 1      27   22    1 o    3.995000      0.5380000       4.412000 0.7413000       3.577000      0.7799000      0.8347000       1.076000
  1 1 1      27   22    2 f    7.051000      0.3401000       7.153000 0.4967000       6.950000      0.4646000      0.2035000      0.6801000
  1 1 1      27   22    3 o    5.791000      0.3928000       5.638000 0.6140000       5.944000      0.4900000     -0.3058000      0.7855000
  1 1 1      27   22    4 f    10.21000      0.2749000       9.952000 0.4069000       10.46000      0.3698000     -0.5080000      0.5499000
  1 1 1      27   22    5 o    10.52000      0.2744000       10.51000 0.3970000       10.52000      0.3788000     -0.1545000E-01  0.5488000
  1 1 1      27   22    6 o    4.612000      0.4477000       3.767000 0.7595000       5.457000      0.4744000      -1.690000      0.8955000
  1 1 1      27   22    7 o    4.090000      0.4625000       4.024000 0.7275000       4.156000      0.5713000     -0.1324000      0.9250000
  1 1 1      27   22    8 o    4.807000      0.4094000       4.374000 0.6592000       5.240000      0.4857000     -0.8665000      0.8188000
  1 1 1      27   22    9 o    2.380000      0.5908000       2.419000 0.8820000       2.341000      0.7861000      0.7750000E-01   1.182000
  1 1 1      27   22   10 o    5.103000      0.3647000       5.522000 0.5122000       4.683000      0.5193000      0.8385000      0.7294000
  1 1 1      27   22   11 f    7.323000      0.2941000       7.330000 0.4440000       7.316000      0.3858000      0.1454000E-01  0.5882000
  1 1 1      27   22   12 o    3.863000      0.4910000       3.263000 0.8236000       4.463000      0.5349000      -1.200000      0.9821000
  1 1 1      27   22   13 o    4.998000      0.4546000       5.092000 0.7136000       4.903000      0.5633000      0.1891000      0.9092000
  1 1 1      27   22   14 o    1.774000      0.5484000       1.797000 0.8081000       1.751000      0.7416000      0.4650000E-01   1.097000
  1 1 1      27   22   15 o    2.041000      0.5458000       2.835000 0.9230000       1.248000      0.5827000       1.588000       1.092000
  1 1 1      27   22   16 o    5.331000      0.3070000       5.578000 0.4540000       5.084000      0.4135000      0.4943000      0.6141000
  1 1 1      27   22   17 f    5.416000      0.3231000       5.346000 0.4713000       5.487000      0.4422000     -0.1413000      0.6462000
  1 1 1      27   22   18 o    4.664000      0.3713000       4.852000 0.5299000       4.475000      0.5203000      0.3764000      0.7426000
  1 1 1      27   22   19 o    6.066000      0.5139000       6.293000 0.6200000       5.840000      0.8198000      0.4529000       1.028000
  1 1 1      27   22   20 o    3.297000      0.7075000       3.703000 0.9098000       2.891000       1.084000      0.8121000       1.415000
  1 1 1      27   22   21 o    2.419000      0.6701000       1.795000 0.8203000       3.044000       1.060000      -1.248000       1.340000
  1 1 1      27   22   22 o    2.150000      0.6550000       2.175000 0.9208000       2.125000      0.9317000      0.4998000E-01   1.310000
  1 1 1      27   22   23 o    2.881000      0.6123000       3.088000 0.8685000       2.675000      0.8633000      0.4126000       1.225000
  1 1 1      27   23    0 o    5.058000      0.4572000       4.852000 0.7105000       5.264000      0.5755000     -0.4115000      0.9143000
  1 1 1      27   23    1 o    2.794000      0.6287000       2.832000 0.9217000       2.756000      0.8554000      0.7662000E-01   1.257000
  1 1 1      27   23    2 o    6.366000      0.3698000       6.788000 0.5090000       5.944000      0.5365000      0.8434000      0.7395000
  1 1 1      27   23    3 f    9.367000      0.2977000       9.564000 0.4397000       9.170000      0.4015000      0.3938000      0.5954000
  1 1 1      27   23    4 o    10.01000      0.2735000       9.903000 0.3986000       10.11000      0.3744000     -0.2082000      0.5469000
  1 1 1      27   23    5 o    8.369000      0.2966000       8.307000 0.4419000       8.431000      0.3958000     -0.1235000      0.5932000
  1 1 1      27   23    6 o    4.574000      0.4651000       4.049000 0.7654000       5.099000      0.5285000      -1.050000      0.9301000
  1 1 1      27   23    7 o    2.265000      0.5870000       2.712000 0.8944000       1.819000      0.7606000      0.8924000       1.174000
  1 1 1      27   23    8 o    4.327000      0.4521000       5.115000 0.5987000       3.539000      0.6777000       1.576000      0.9043000
  1 1 1      27   23    9 o    5.376000      0.3645000       5.065000 0.5791000       5.687000      0.4430000     -0.6226000      0.7291000
  1 1 1      27   23   10 o    1.890000      0.5293000       2.503000 0.8662000       1.277000      0.6086000       1.226000       1.059000
  1 1 1      27   23   11 f    2.199000      0.5682000       2.034000 0.8141000       2.365000      0.7927000     -0.3312000       1.136000
  1 1 1      27   23   12 o    3.607000      0.4847000       3.494000 0.7474000       3.721000      0.6173000     -0.2267000      0.9694000
  1 1 1      27   23   13 o    2.139000      0.5400000       1.814000 0.7587000       2.464000      0.7687000     -0.6493000       1.080000
  1 1 1      27   23   14 o    3.909000      0.4373000       3.607000 0.6921000       4.211000      0.5347000     -0.6044000      0.8746000
  1 1 1      27   23   15 o    3.190000      0.5129000       2.707000 0.7943000       3.674000      0.6492000     -0.9669000       1.026000
  1 1 1      27   23   16 o    1.841000      0.5630000       1.696000 0.7900000       1.987000      0.8023000     -0.2917000       1.126000
  1 1 1      27   23   17 o    4.513000      0.5334000       4.381000 0.8695000       4.645000      0.6180000     -0.2647000       1.067000
  1 1 1      27   23   18 o    3.354000      0.6384000       3.256000 1.005000       3.453000      0.7868000     -0.1972000       1.277000
  1 1 1      27   23   19 o    2.167000      0.5650000       1.737000 0.7583000       2.597000      0.8379000     -0.8593000       1.130000
  1 1 1      27   23   20 o    4.398000      0.4343000       4.415000 0.6137000       4.381000      0.6146000      0.3376000E-01  0.8685000
  1 1 1      27   23   21 o    1.834000      0.5429000       2.218000 0.8479000       1.450000      0.6784000      0.7682000       1.086000
  1 1 1      27   23   22 o    2.674000      0.5335000       3.708000 0.7601000       1.641000      0.7488000       2.067000       1.067000
  1 1 1      27   23   23 o    3.794000      0.7128000       3.828000 0.9268000       3.760000       1.083000      0.6705000E-01   1.426000
  1 1 1      27   24    0 o    2.083000      0.6117000       2.157000 0.8936000       2.008000      0.8355000      0.1484000       1.223000
  1 1 1      27   24    1 o    3.672000      0.5686000       3.381000 0.8626000       3.962000      0.7410000     -0.5805000       1.137000
  1 1 1      27   24    2 o    2.176000      0.6234000       2.234000 0.9082000       2.118000      0.8543000      0.1165000       1.247000
  1 1 1      27   24    3 o    2.291000      0.5667000       3.207000 0.9243000       1.376000      0.6557000       1.831000       1.133000
  1 1 1      27   24    4 o    4.670000      0.4753000       5.688000 0.5883000       3.651000      0.7468000       2.037000      0.9507000
  1 1 1      27   24    5 o    6.599000      0.3383000       6.517000 0.5153000       6.682000      0.4384000     -0.1651000      0.6765000
  1 1 1      27   24    6 o    7.480000      0.3024000       7.144000 0.4603000       7.815000      0.3922000     -0.6710000      0.6047000
  1 1 1      27   24    7 o    5.200000      0.3844000       5.348000 0.5664000       5.053000      0.5199000      0.2953000      0.7688000
  1 1 1      27   24    8 o    3.436000      0.5517000       3.188000 0.8947000       3.685000      0.6459000     -0.4975000       1.103000
  1 1 1      27   24    9 o    2.233000      0.5939000       2.430000 0.8801000       2.036000      0.7976000      0.3938000       1.188000
  1 1 1      27   24   10 o    1.663000      0.5198000       1.837000 0.7930000       1.490000      0.6723000      0.3469000       1.040000
  1 1 1      27   24   11 o    4.099000      0.4552000       3.916000 0.7172000       4.282000      0.5607000     -0.3655000      0.9104000
  1 1 1      27   24   12 o    2.676000      0.5623000       2.322000 0.8305000       3.031000      0.7582000     -0.7093000       1.125000
  1 1 1      27   24   13 o    1.874000      0.5231000       1.576000 0.7043000       2.173000      0.7736000     -0.5967000       1.046000
  1 1 1      27   24   14 o    2.006000      0.5407000       2.331000 0.8170000       1.681000      0.7086000      0.6500000       1.081000
  1 1 1      27   24   15 o    3.974000      0.4758000       3.166000 0.8023000       4.783000      0.5116000      -1.617000      0.9515000
  1 1 1      27   24   16 o    1.762000      0.5342000       2.099000 0.8366000       1.425000      0.6646000      0.6744000       1.068000
  1 1 1      27   24   17 o    3.853000      0.4735000       3.765000 0.7165000       3.942000      0.6193000     -0.1772000      0.9471000
  1 1 1      27   24   18 o    2.743000      0.6020000       2.808000 0.8339000       2.679000      0.8684000      0.1284000       1.204000
  1 1 1      27   24   19 o    2.378000      0.6473000       3.107000 1.041000       1.649000      0.7704000       1.459000       1.295000
  1 1 1      27   24   20 o    3.429000      0.6899000       3.027000 1.071000       3.832000      0.8704000     -0.8048000       1.380000
  1 1 1      27   24   21 o    2.024000      0.6483000       2.069000 0.9497000       1.979000      0.8826000      0.9040000E-01   1.297000
  1 1 1      27   24   22 o    2.450000      0.7002000       2.928000 1.093000       1.972000      0.8754000      0.9553000       1.400000
  1 1 1      27   25    0 o    1.661000      0.5446000       1.980000 0.8752000       1.341000      0.6482000      0.6381000       1.089000
  1 1 1      27   25    1 o    2.349000      0.6361000       2.438000 0.9563000       2.260000      0.8390000      0.1781000       1.272000
  1 1 1      27   25    2 f    7.142000      0.3374000       6.943000 0.5026000       7.341000      0.4503000     -0.3970000      0.6748000
  1 1 1      27   25    3 o    2.186000      0.6082000       2.551000 0.9313000       1.820000      0.7825000      0.7306000       1.216000
  1 1 1      27   25    4 o    4.550000      0.4708000       5.018000 0.6912000       4.082000      0.6395000      0.9357000      0.9417000
  1 1 1      27   25    5 o    6.852000      0.3388000       6.210000 0.5349000       7.494000      0.4158000      -1.284000      0.6775000
  1 1 1      27   25    6 o    6.528000      0.3436000       5.837000 0.5436000       7.220000      0.4205000      -1.383000      0.6872000
  1 1 1      27   25    7 o    1.893000      0.5620000       2.268000 0.8861000       1.518000      0.6913000      0.7497000       1.124000
  1 1 1      27   25    8 o    2.263000      0.5981000       2.179000 0.8556000       2.346000      0.8361000     -0.1668000       1.196000
  1 1 1      27   25    9 o    5.106000      0.3870000       5.065000 0.5772000       5.147000      0.5157000     -0.8160000E-01  0.7740000
  1 1 1      27   25   10 o    7.422000      0.2891000       6.990000 0.4285000       7.853000      0.3884000     -0.8630000      0.5783000
  1 1 1      27   25   11 o    5.925000      0.3206000       5.919000 0.4594000       5.931000      0.4473000     -0.1166000E-01  0.6412000
  1 1 1      27   25   12 o    4.058000      0.4368000       4.200000 0.6454000       3.915000      0.5888000      0.2851000      0.8737000
  1 1 1      27   25   13 o    4.644000      0.3824000       4.331000 0.6039000       4.958000      0.4692000     -0.6271000      0.7648000
  1 1 1      27   25   14 o    1.750000      0.5306000       1.706000 0.7537000       1.793000      0.7470000     -0.8710000E-01   1.061000
  1 1 1      27   25   15 o    4.989000      0.3865000       5.166000 0.5501000       4.812000      0.5431000      0.3544000      0.7731000
  1 1 1      27   25   16 o    5.215000      0.3893000       4.455000 0.6338000       5.976000      0.4523000      -1.521000      0.7787000
  1 1 1      27   25   17 o    5.024000      0.4004000       4.677000 0.6142000       5.371000      0.5141000     -0.6935000      0.8009000
  1 1 1      27   25   18 o    2.387000      0.5715000       3.090000 0.8555000       1.683000      0.7580000       1.407000       1.143000
  1 1 1      27   25   19 o    1.888000      0.5583000       1.575000 0.7254000       2.201000      0.8489000     -0.6262000       1.117000
  1 1 1      27   25   20 o    3.719000      0.5363000       3.058000 0.8574000       4.380000      0.6446000      -1.323000       1.073000
  1 1 1      27   25   21 o    1.873000      0.5663000       2.237000 0.8813000       1.508000      0.7115000      0.7287000       1.133000
  1 1 1      27   26    0 o    6.750000      0.5819000       7.047000 0.7471000       6.453000      0.8924000      0.5937000       1.164000
  1 1 1      27   26    1 o    7.365000      0.4869000       6.892000 0.5320000       7.837000      0.8158000     -0.9454000      0.9739000
  1 1 1      27   26    2 o    11.72000      0.2910000       11.59000 0.4300000       11.84000      0.3921000     -0.2538000      0.5819000
  1 1 1      27   26    3 o    5.027000      0.4446000       5.026000 0.6570000       5.027000      0.5991000     -0.1483000E-02  0.8891000
  1 1 1      27   26    4 o    7.582000      0.3388000       7.320000 0.5199000       7.844000      0.4346000     -0.5241000      0.6776000
  1 1 1      27   26    5 o    4.631000      0.4984000       3.794000 0.8601000       5.467000      0.5039000      -1.673000      0.9968000
  1 1 1      27   26    6 o    7.119000      0.3411000       6.455000 0.5409000       7.782000      0.4159000      -1.326000      0.6823000
  1 1 1      27   26    7 o    4.673000      0.4439000       5.164000 0.5939000       4.182000      0.6600000      0.9823000      0.8879000
  1 1 1      27   26    8 o    4.371000      0.4455000       4.352000 0.6719000       4.389000      0.5852000     -0.3679000E-01  0.8910000
  1 1 1      27   26    9 o    6.509000      0.3282000       6.253000 0.4975000       6.765000      0.4283000     -0.5126000      0.6564000
  1 1 1      27   26   10 o    8.077000      0.2873000       7.896000 0.4301000       8.259000      0.3811000     -0.3630000      0.5747000
  1 1 1      27   26   11 o    4.014000      0.5652000       4.526000 0.8985000       3.501000      0.6860000       1.024000       1.130000
  1 1 1      27   26   12 o    3.826000      0.4868000       3.769000 0.7206000       3.882000      0.6548000     -0.1136000      0.9737000
  1 1 1      27   26   13 o    4.114000      0.4682000       3.945000 0.7170000       4.283000      0.6024000     -0.3377000      0.9364000
  1 1 1      27   26   14 o    6.576000      0.3236000       6.191000 0.4731000       6.962000      0.4417000     -0.7707000      0.6472000
  1 1 1      27   26   15 o    5.090000      0.3942000       5.170000 0.5447000       5.009000      0.5700000      0.1616000      0.7884000
  1 1 1      27   26   16 o    6.215000      0.3468000       6.130000 0.5006000       6.300000      0.4800000     -0.1702000      0.6936000
  1 1 1      27   26   17 o    4.578000      0.4616000       3.971000 0.7348000       5.185000      0.5588000      -1.214000      0.9232000
  1 1 1      27   26   18 o    3.790000      0.5524000       3.319000 0.8637000       4.260000      0.6889000     -0.9405000       1.105000
  1 1 1      27   26   19 o    2.180000      0.6091000       2.201000 0.8696000       2.160000      0.8532000      0.4092000E-01   1.218000
  1 1 1      27   26   20 o    2.988000      0.5323000       4.224000 0.7164000       1.753000      0.7876000       2.471000       1.065000
  1 1 1      27   26   21 o    4.615000       1.052000                  ?       ?   4.615000       1.052000                  ?              ?
  1 1 1      27   27    0 o    4.814000      0.4817000       4.722000 0.7524000       4.905000      0.6016000     -0.1825000      0.9633000
  1 1 1      27   27    1 o    3.073000      0.8267000       2.755000 1.054000       3.391000       1.274000     -0.6361000       1.653000
  1 1 1      27   27    2 o    4.986000      0.7813000       4.396000 1.061000       5.577000       1.147000      -1.181000       1.563000
  1 1 1      27   27    3 o    3.801000      0.7834000       4.625000 1.033000       2.977000       1.178000       1.648000       1.567000
  1 1 1      27   27    4 o    2.333000      0.6199000       2.430000 0.9149000       2.237000      0.8368000      0.1934000       1.240000
  1 1 1      27   27    5 o    3.887000      0.5535000       2.786000 0.9304000       4.988000      0.5998000      -2.202000       1.107000
  1 1 1      27   27    6 o    2.400000      0.6194000       2.728000 0.9341000       2.072000      0.8137000      0.6564000       1.239000
  1 1 1      27   27    7 o    3.220000      0.6026000       3.125000 0.8971000       3.316000      0.8048000     -0.1906000       1.205000
  1 1 1      27   27    8 o    2.807000      0.6008000       2.864000 0.8639000       2.749000      0.8351000      0.1151000       1.202000
  1 1 1      27   27    9 o    3.534000      0.5614000       2.740000 0.9269000       4.327000      0.6336000      -1.587000       1.123000
  1 1 1      27   27   10 o    6.628000      0.3228000       7.193000 0.4518000       6.063000      0.4612000       1.129000      0.6457000
  1 1 1      27   27   11 o    2.751000      0.5994000       2.488000 0.9042000       3.015000      0.7871000     -0.5272000       1.199000
  1 1 1      27   27   12 o    1.773000      0.5430000       2.064000 0.8432000       1.482000      0.6845000      0.5824000       1.086000
  1 1 1      27   27   13 o    2.215000      0.6098000       2.239000 0.8707000       2.191000      0.8541000      0.4796000E-01   1.220000
  1 1 1      27   27   14 o    3.195000      0.5922000       2.985000 0.8871000       3.406000      0.7849000     -0.4206000       1.184000
  1 1 1      27   27   15 o    3.642000      0.5587000       2.880000 0.8990000       4.405000      0.6637000      -1.525000       1.117000
  1 1 1      27   27   16 o    6.460000      0.3515000       6.577000 0.4941000       6.342000      0.5000000      0.2353000      0.7030000
  1 1 1      27   27   17 o    2.866000      0.6312000       3.218000 0.9084000       2.513000      0.8767000      0.7047000       1.262000
  1 1 1      27   27   18 o    2.700000      0.6471000       2.863000 0.9215000       2.538000      0.9086000      0.3250000       1.294000
  1 1 1      27   27   19 f    2.296000      0.6161000       1.960000 0.8402000       2.631000      0.9012000     -0.6709000       1.232000
  1 1 1      27   27   20 o    3.813000      0.7758000       3.688000 1.062000       3.937000       1.131000     -0.2494000       1.552000
  1 1 1      27   28    0 o    5.146000      0.6716000       5.841000 1.058000       4.451000      0.8278000       1.390000       1.343000
  1 1 1      27   28    1 o    2.756000      0.6535000       2.697000 0.9630000       2.815000      0.8838000     -0.1184000       1.307000
  1 1 1      27   28    2 o    4.747000      0.5325000       4.122000 0.8913000       5.372000      0.5830000      -1.250000       1.065000
  1 1 1      27   28    3 o    5.478000      0.4188000       5.094000 0.6640000       5.862000      0.5107000     -0.7679000      0.8377000
  1 1 1      27   28    4 o    3.831000      0.8297000       3.474000 1.089000       4.189000       1.252000     -0.7145000       1.659000
  1 1 1      27   28    5 o    5.242000      0.7372000       4.577000 0.9904000       5.908000       1.092000      -1.331000       1.474000
  1 1 1      27   28    6 o    5.315000      0.4170000       5.159000 0.6392000       5.472000      0.5358000     -0.3125000      0.8340000
  1 1 1      27   28    7 o    2.067000      0.5758000       1.694000 0.7789000       2.441000      0.8482000     -0.7473000       1.152000
  1 1 1      27   28    8 o    2.388000      0.5891000       1.909000 0.8079000       2.868000      0.8576000     -0.9599000       1.178000
  1 1 1      27   28    9 o    5.235000      0.4088000       5.030000 0.6103000       5.440000      0.5440000     -0.4097000      0.8176000
  1 1 1      27   28   10 o    2.735000      0.6148000       2.325000 0.9123000       3.145000      0.8244000     -0.8201000       1.230000
  1 1 1      27   28   11 o    2.137000      0.5907000       1.907000 0.8302000       2.367000      0.8405000     -0.4602000       1.181000
  1 1 1      27   28   12 o    2.768000      0.6052000       2.225000 0.8799000       3.310000      0.8312000      -1.084000       1.210000
  1 1 1      27   28   13 o    3.607000      0.5848000       3.542000 0.8460000       3.671000      0.8077000     -0.1290000       1.170000
  1 1 1      27   28   14 o    3.095000      0.6076000       3.417000 0.8587000       2.773000      0.8599000      0.6442000       1.215000
  1 1 1      27   28   15 o    5.265000      0.4431000       4.713000 0.7130000       5.816000      0.5263000      -1.103000      0.8862000
  1 1 1      27   28   16 o    4.017000      0.5535000       4.090000 0.8107000       3.945000      0.7538000      0.1444000       1.107000
  1 1 1      27   28   17 o    2.067000      0.5973000       1.785000 0.8031000       2.349000      0.8844000     -0.5646000       1.195000
  1 1 1      27   28   18 o    1.667000      0.5439000       1.755000 0.8002000       1.580000      0.7367000      0.1754000       1.088000
  1 1 1      27   28   19 o    2.342000       1.055000                  ?       ?   2.342000       1.055000                  ?              ?
  1 1 1      27   29    0 o    3.495000      0.6428000       4.230000 0.8988000       2.760000      0.9193000       1.470000       1.286000
  1 1 1      27   29    1 o    3.032000      0.7645000       2.912000 1.209000       3.153000      0.9362000     -0.2409000       1.529000
  1 1 1      27   29    2 o    3.543000      0.6871000       2.769000 1.136000       4.318000      0.7735000      -1.548000       1.374000
  1 1 1      27   29    3 o    3.764000      0.5797000       4.350000 0.7529000       3.177000      0.8816000       1.173000       1.159000
  1 1 1      27   29    4 o    2.099000      0.6123000       2.084000 0.8674000       2.114000      0.8645000     -0.2953000E-01   1.225000
  1 1 1      27   29    5 o    4.046000      0.5664000       3.383000 0.9638000       4.709000      0.5954000      -1.326000       1.133000
  1 1 1      27   29    6 o    6.839000      0.4086000       7.407000 0.6883000       6.272000      0.4404000       1.135000      0.8171000
  1 1 1      27   29    7 o    4.023000      0.8118000       4.070000 0.9408000       3.977000       1.323000      0.9247000E-01   1.624000
  1 1 1      27   29    8 o    4.923000      0.7798000       5.239000 0.8259000       4.607000       1.323000      0.6323000       1.560000
  1 1 1      27   29    9 o    4.002000      0.5200000       4.034000 0.8228000       3.969000      0.6361000      0.6518000E-01   1.040000
  1 1 1      27   29   10 o    1.584000      0.5223000       1.763000 0.7989000       1.405000      0.6731000      0.3577000       1.045000
  1 1 1      27   29   11 o    3.694000      0.5839000       4.776000 0.7199000       2.612000      0.9196000       2.164000       1.168000
  1 1 1      27   29   12 o    3.857000      0.6103000       2.815000 0.9421000       4.899000      0.7762000      -2.084000       1.221000
  1 1 1      27   29   13 o    2.625000      0.6550000       2.540000 0.9457000       2.710000      0.9065000     -0.1697000       1.310000
  1 1 1      27   29   14 o    2.061000      0.5981000       1.792000 0.8070000       2.331000      0.8829000     -0.5395000       1.196000
  1 1 1      27   29   15 o    2.753000      0.6427000       2.369000 0.9228000       3.138000      0.8947000     -0.7696000       1.285000
  1 1 1      27   29   16 o    2.121000      0.6139000       1.862000 0.8259000       2.379000      0.9086000     -0.5163000       1.228000
  1 1 1      27   29   17 o    2.115000      0.6080000       2.693000 0.9719000       1.538000      0.7306000       1.155000       1.216000
  1 1 1      27   30    0 o    4.481000      0.5641000       4.372000 0.9010000       4.590000      0.6790000     -0.2171000       1.128000
  1 1 1      27   30    1 o    2.526000      0.6766000       2.547000 1.001000       2.504000      0.9106000      0.4295000E-01   1.353000
  1 1 1      27   30    2 o    2.231000      0.6338000       2.083000 0.8925000       2.378000      0.9002000     -0.2953000       1.268000
  1 1 1      27   30    3 o    3.047000      0.7612000       3.319000 1.167000       2.774000      0.9781000      0.5449000       1.522000
  1 1 1      27   30    4 o    2.317000      0.7019000       2.499000 1.067000       2.136000      0.9126000      0.3631000       1.404000
  1 1 1      27   30    5 o    2.266000      0.7003000       2.618000 1.119000       1.913000      0.8419000      0.7044000       1.401000
  1 1 1      27   30    6 o    5.440000      0.4401000       5.415000 0.6281000       5.465000      0.6167000     -0.5066000E-01  0.8803000
  1 1 1      27   30    7 o    4.508000      0.7295000       5.364000 0.6689000       3.653000       1.297000       1.710000       1.459000
  1 1 1      27   30    8 o    2.309000      0.5983000       1.709000 0.7899000       2.909000      0.8988000      -1.200000       1.197000
  1 1 1      27   30    9 o    5.654000      0.4119000       5.713000 0.5709000       5.595000      0.5939000      0.1183000      0.8238000
  1 1 1      27   30   10 o    2.269000      0.7276000       1.856000 0.8720000       2.683000       1.165000     -0.8276000       1.455000
  1 1 1      27   30   11 f    2.420000      0.7543000       2.182000 0.9971000       2.657000       1.132000     -0.4748000       1.509000
  1 1 1      27   30   12 o    3.440000      0.8222000       3.826000 1.120000       3.055000       1.204000      0.7708000       1.644000
  1 1 1      27   30   13 o    2.594000      0.7218000       2.629000 0.9123000       2.558000       1.119000      0.7140000E-01   1.444000
  1 1 1      27   30   14 o    1.866000      0.5904000       2.048000 0.8853000       1.685000      0.7814000      0.3627000       1.181000
  1 1 1      27   30   15 o    3.034000      0.6865000       3.141000 0.9993000       2.926000      0.9414000      0.2151000       1.373000
  1 1 1      27   30   16 o    2.547000      0.6490000       3.106000 0.9757000       1.987000      0.8562000       1.119000       1.298000
  1 1 1      27   31    0 o    2.645000      0.6806000       2.475000 1.003000       2.815000      0.9204000     -0.3398000       1.361000
  1 1 1      27   31    1 o    2.253000      0.6503000       2.456000 0.9702000       2.050000      0.8663000      0.4061000       1.301000
  1 1 1      27   31    2 o    2.096000      0.6115000       1.676000 0.7920000       2.515000      0.9319000     -0.8392000       1.223000
  1 1 1      27   31    3 o    3.162000      0.6396000       2.409000 0.9721000       3.915000      0.8314000      -1.506000       1.279000
  1 1 1      27   31    4 o    2.133000      0.6379000       2.102000 0.8999000       2.164000      0.9044000     -0.6216000E-01   1.276000
  1 1 1      27   31    5 o    2.684000      0.6893000       2.924000 1.012000       2.443000      0.9363000      0.4817000       1.379000
  1 1 1      27   31    6 o    3.216000      0.5917000       2.012000 0.8769000       4.420000      0.7947000      -2.409000       1.183000
  1 1 1      27   31    7 f    4.257000      0.7208000       4.389000 1.110000       4.126000      0.9195000      0.2627000       1.442000
  1 1 1      27   31    8 o    3.937000      0.7601000       3.804000 1.225000       4.070000      0.9003000     -0.2658000       1.520000
  1 1 1      27   31    9 o    2.771000      0.7385000       2.920000 1.171000       2.622000      0.9008000      0.2979000       1.477000
  1 1 1      27   31   10 o    2.345000      0.6554000       2.544000 0.9671000       2.147000      0.8850000      0.3974000       1.311000
  1 1 1      27   31   11 o    2.947000      0.6815000       3.088000 0.9660000       2.806000      0.9615000      0.2822000       1.363000
  1 1 1      27   31   12 o    2.283000      0.6526000       2.487000 0.9727000       2.079000      0.8704000      0.4078000       1.305000
  1 1 1      27   31   13 o    2.481000      0.6612000       2.305000 0.9412000       2.658000      0.9288000     -0.3532000       1.322000
  1 1 1      27   31   14 o    3.360000      0.6760000       4.415000 1.019000       2.305000      0.8888000       2.110000       1.352000
  1 1 1      27   31   15 o    3.576000       1.239000                  ?       ?   3.576000       1.239000                  ?              ?
  1 1 1      27   32    0 o    2.187000      0.6364000       1.862000 0.8688000       2.513000      0.9300000     -0.6510000       1.273000
  1 1 1      27   32    1 o    2.671000      0.7003000       2.972000 1.061000       2.370000      0.9147000      0.6017000       1.401000
  1 1 1      27   32    2 o    1.939000      0.6090000       2.100000 0.9064000       1.778000      0.8138000      0.3217000       1.218000
  1 1 1      27   32    3 o    3.171000      0.6437000       2.343000 0.9889000       3.998000      0.8242000      -1.655000       1.287000
  1 1 1      27   32    4 o    2.509000      0.5790000       1.579000 0.7589000       3.439000      0.8746000      -1.860000       1.158000
  1 1 1      27   32    5 o    1.998000      0.6149000       1.796000 0.8273000       2.201000      0.9100000     -0.4050000       1.230000
  1 1 1      27   32    6 f    2.479000      0.6742000       2.505000 0.9768000       2.454000      0.9295000      0.5100000E-01   1.348000
  1 1 1      27   32    7 o    2.893000      0.6668000       2.650000 0.9785000       3.136000      0.9060000     -0.4863000       1.334000
  1 1 1      27   32    8 o    3.401000      0.6846000       3.617000 0.9599000       3.186000      0.9763000      0.4316000       1.369000
  1 1 1      27   32    9 o    2.444000      0.6669000       2.224000 0.9459000       2.663000      0.9404000     -0.4385000       1.334000
  1 1 1      27   32   10 o    4.541000      0.6090000       3.661000 0.8815000       5.422000      0.8406000      -1.760000       1.218000
  1 1 1      27   32   11 o    3.578000      0.7922000       4.585000 1.222000       2.570000       1.009000       2.016000       1.584000
  1 1 1      27   32   12 f    2.653000      0.7920000       2.883000 1.218000       2.422000       1.013000      0.4604000       1.584000
  1 1 1      27   33    0 o    3.122000      0.6575000       2.011000 0.9214000       4.233000      0.9383000      -2.222000       1.315000
  1 1 1      27   33    1 o    4.769000      0.6232000       3.949000 1.037000       5.590000      0.6919000      -1.641000       1.246000
  1 1 1      27   33    2 o    2.208000      0.6383000       2.780000 1.014000       1.636000      0.7759000       1.144000       1.277000
  1 1 1      27   33    3 o    2.982000      0.5861000       1.772000 0.8307000       4.192000      0.8272000      -2.420000       1.172000
  1 1 1      27   33    4 o    3.173000      0.6900000       3.743000 1.028000       2.604000      0.9211000       1.139000       1.380000
  1 1 1      27   33    5 o    2.414000      0.6452000       2.000000 0.8995000       2.828000      0.9253000     -0.8281000       1.290000
  1 1 1      27   33    6 o    3.839000      0.6296000       3.326000 1.025000       4.353000      0.7320000      -1.028000       1.259000
  1 1 1      27   33    7 o    3.339000      0.6661000       3.976000 0.9026000       2.702000      0.9800000       1.274000       1.332000
  1 1 1      27   33    8 o    3.317000      0.6925000       3.012000 1.036000       3.621000      0.9197000     -0.6093000       1.385000
  1 1 1      27   33    9 o    2.150000      0.6377000       1.932000 0.8838000       2.367000      0.9197000     -0.4356000       1.275000
  1 1 1      27   33   10 o    3.097000      0.7004000       2.973000 0.9962000       3.221000      0.9849000     -0.2486000       1.401000
  1 1 1      27   33   11 o    2.808000       1.224000                  ?       ?   2.808000       1.224000                  ?              ?
  1 1 1      27   34    0 o    2.651000      0.7389000       3.237000 1.157000       2.066000      0.9193000       1.171000       1.478000
  1 1 1      27   34    1 o    2.341000      0.6814000       2.086000 0.9340000       2.596000      0.9925000     -0.5107000       1.363000
  1 1 1      27   34    2 o    2.933000      0.7139000       3.163000 1.048000       2.704000      0.9701000      0.4593000       1.428000
  1 1 1      27   34    3 o    3.981000      0.6717000       3.903000 1.007000       4.058000      0.8895000     -0.1553000       1.343000
  1 1 1      27   34    4 o    2.173000      0.6609000       2.509000 1.021000       1.836000      0.8397000      0.6726000       1.322000
  1 1 1      27   34    5 o    2.996000      0.7098000       3.588000 1.033000       2.404000      0.9740000       1.184000       1.420000
  1 1 1      27   34    6 o    3.319000      0.7357000       3.492000 1.052000       3.145000       1.029000      0.3474000       1.471000
  1 1 1      27   34    7 o    2.603000      0.6915000       2.214000 0.9527000       2.992000       1.003000     -0.7783000       1.383000
  1 1 1      28   -9    0 o    2.334000      0.6186000       2.272000 0.8903000       2.397000      0.8591000     -0.1251000       1.237000
  1 1 1      28   -9    1 o    4.782000      0.6586000       5.312000 0.9188000       4.251000      0.9440000       1.061000       1.317000
  1 1 1      28   -9    2 o    7.692000      0.4491000       8.019000 0.6811000       7.365000      0.5855000      0.6539000      0.8981000
  1 1 1      28   -9    3 o    2.167000      0.5603000       1.656000 0.7669000       2.678000      0.8172000      -1.022000       1.121000
  1 1 1      28   -9    4 o    1.924000      0.6018000       2.531000 1.022000       1.316000      0.6354000       1.215000       1.204000
  1 1 1      28   -9    5 o    4.074000      0.6998000       4.051000 1.064000       4.097000      0.9093000     -0.4558000E-01   1.400000
  1 1 1      28   -9    6 o    2.082000      0.5632000       1.549000 0.7238000       2.615000      0.8629000      -1.067000       1.126000
  1 1 1      28   -9    7 o    4.224000      0.7428000       4.772000 0.9809000       3.676000       1.116000       1.096000       1.486000
  1 1 1      28   -8    0 o    3.105000      0.6671000       2.229000 0.9819000       3.982000      0.9032000      -1.753000       1.334000
  1 1 1      28   -8    1 o    8.859000      0.2939000       8.597000 0.4502000       9.120000      0.3779000     -0.5233000      0.5878000
  1 1 1      28   -8    2 o    4.296000      0.5258000       3.424000 0.9226000       5.169000      0.5047000      -1.745000       1.052000
  1 1 1      28   -8    3 o    2.387000      0.6851000       3.003000 1.105000       1.772000      0.8101000       1.231000       1.370000
  1 1 1      28   -8    4 o    4.953000      0.4954000       5.038000 0.5897000       4.867000      0.7963000      0.1704000      0.9909000
  1 1 1      28   -8    5 o    5.201000      0.4095000       4.672000 0.6630000       5.730000      0.4809000      -1.058000      0.8191000
  1 1 1      28   -8    6 o    2.819000      0.5910000       3.527000 0.8670000       2.112000      0.8035000       1.415000       1.182000
  1 1 1      28   -8    7 o    4.399000      0.4554000       3.971000 0.7637000       4.828000      0.4964000     -0.8567000      0.9108000
  1 1 1      28   -8    8 o    2.742000      0.6026000       3.455000 0.8342000       2.028000      0.8699000       1.427000       1.205000
  1 1 1      28   -8    9 o    3.279000      0.6425000       2.712000 0.8966000       3.846000      0.9205000      -1.134000       1.285000
  1 1 1      28   -8   10 o    2.432000      0.6541000       1.761000 0.8358000       3.104000       1.007000      -1.343000       1.308000
  1 1 1      28   -7    0 o    7.506000      0.3162000       7.659000 0.4960000       7.354000      0.3925000      0.3051000      0.6325000
  1 1 1      28   -7    1 o    7.061000      0.4158000       7.182000 0.7125000       6.940000      0.4288000      0.2416000      0.8316000
  1 1 1      28   -7    2 o    3.714000      0.7189000       3.800000 1.110000       3.627000      0.9139000      0.1730000       1.438000
  1 1 1      28   -7    3 o    2.700000      0.6062000       2.489000 0.9148000       2.911000      0.7957000     -0.4219000       1.212000
  1 1 1      28   -7    4 o    1.673000      0.5146000       1.439000 0.6906000       1.907000      0.7632000     -0.4680000       1.029000
  1 1 1      28   -7    5 o    4.341000      0.4617000       4.066000 0.7481000       4.617000      0.5413000     -0.5515000      0.9234000
  1 1 1      28   -7    6 o    3.181000      0.5692000       3.474000 0.8411000       2.887000      0.7670000      0.5867000       1.138000
  1 1 1      28   -7    7 f    2.352000      0.5964000       2.717000 0.8977000       1.988000      0.7856000      0.7292000       1.193000
  1 1 1      28   -7    8 o    5.373000      0.3651000       5.738000 0.5381000       5.008000      0.4937000      0.7300000      0.7303000
  1 1 1      28   -7    9 o    3.126000      0.5617000       3.401000 0.8261000       2.850000      0.7614000      0.5515000       1.123000
  1 1 1      28   -7   10 o    3.019000      0.5324000       2.288000 0.8580000       3.750000      0.6307000      -1.462000       1.065000
  1 1 1      28   -7   11 f    7.945000      0.2745000       7.821000 0.4228000       8.068000      0.3501000     -0.2464000      0.5490000
  1 1 1      28   -7   12 o    7.523000      0.2853000       7.333000 0.4403000       7.713000      0.3630000     -0.3809000      0.5707000
  1 1 1      28   -6    0 o    4.632000      0.6529000       5.289000 0.9534000       3.975000      0.8922000       1.315000       1.306000
  1 1 1      28   -6    1 o    9.164000      0.4233000       8.287000 0.6632000       10.04000      0.5262000      -1.754000      0.8466000
  1 1 1      28   -6    2 o    2.930000      0.6131000       3.261000 0.9325000       2.598000      0.7964000      0.6627000       1.226000
  1 1 1      28   -6    3 o    4.680000      0.4762000       3.755000 0.8346000       5.606000      0.4589000      -1.851000      0.9525000
  1 1 1      28   -6    4 o    6.204000      0.3404000       6.167000 0.5307000       6.241000      0.4265000     -0.7423000E-01  0.6808000
  1 1 1      28   -6    5 o    2.175000      0.5810000       2.351000 0.8763000       1.999000      0.7631000      0.3517000       1.162000
  1 1 1      28   -6    6 o    2.026000      0.5665000       2.023000 0.8369000       2.028000      0.7638000     -0.5662000E-02   1.133000
  1 1 1      28   -6    7 o    2.674000      0.5835000       2.731000 0.8845000       2.616000      0.7612000      0.1156000       1.167000
  1 1 1      28   -6    8 o    2.648000      0.5604000       2.323000 0.8625000       2.973000      0.7157000     -0.6498000       1.121000
  1 1 1      28   -6    9 o    2.150000      0.5224000       2.991000 0.8433000       1.310000      0.6167000       1.681000       1.045000
  1 1 1      28   -6   10 o    3.006000      0.5683000       3.147000 0.8454000       2.864000      0.7595000      0.2831000       1.137000
  1 1 1      28   -6   11 o    3.039000      0.5628000       3.045000 0.8436000       3.033000      0.7452000      0.1230000E-01   1.126000
  1 1 1      28   -6   12 o    2.540000      0.5644000       2.686000 0.8435000       2.394000      0.7501000      0.2928000       1.129000
  1 1 1      28   -6   13 o    2.183000      0.5535000       1.912000 0.8107000       2.455000      0.7538000     -0.5428000       1.107000
  1 1 1      28   -6   14 o    5.888000      0.3181000       6.210000 0.4662000       5.565000      0.4329000      0.6449000      0.6362000
  1 1 1      28   -5    0 o    2.170000      0.5993000       2.632000 0.9544000       1.709000      0.7251000      0.9226000       1.199000
  1 1 1      28   -5    1 o    8.331000      0.3060000       8.325000 0.4757000       8.338000      0.3850000     -0.1296000E-01  0.6119000
  1 1 1      28   -5    2 o    5.724000      0.4007000       5.387000 0.6687000       6.061000      0.4414000     -0.6743000      0.8013000
  1 1 1      28   -5    3 o    7.004000      0.3295000       6.911000 0.5268000       7.097000      0.3960000     -0.1864000      0.6591000
  1 1 1      28   -5    4 o    4.564000      0.4417000       4.757000 0.6795000       4.370000      0.5644000      0.3874000      0.8833000
  1 1 1      28   -5    5 o    6.314000      0.3302000       6.650000 0.5041000       5.978000      0.4268000      0.6718000      0.6605000
  1 1 1      28   -5    6 f    6.320000      0.3203000       5.963000 0.5170000       6.677000      0.3782000     -0.7142000      0.6406000
  1 1 1      28   -5    7 o    6.365000      0.3165000       6.265000 0.4924000       6.465000      0.3978000     -0.2001000      0.6330000
  1 1 1      28   -5    8 o    5.347000      0.3650000       4.856000 0.5974000       5.837000      0.4195000     -0.9807000      0.7299000
  1 1 1      28   -5    9 o    2.530000      0.5653000       2.248000 0.8502000       2.811000      0.7454000     -0.5637000       1.131000
  1 1 1      28   -5   10 o    1.902000      0.5460000       2.043000 0.8224000       1.762000      0.7185000      0.2812000       1.092000
  1 1 1      28   -5   11 o    3.319000      0.5082000       3.287000 0.7798000       3.352000      0.6517000     -0.6521000E-01   1.016000
  1 1 1      28   -5   12 o    4.771000      0.4101000       3.979000 0.6958000       5.563000      0.4341000      -1.584000      0.8201000
  1 1 1      28   -5   13 o    5.565000      0.4021000       5.986000 0.6629000       5.145000      0.4555000      0.8414000      0.8043000
  1 1 1      28   -5   14 o    7.013000      0.3851000       7.294000 0.5739000       6.732000      0.5136000      0.5614000      0.7702000
  1 1 1      28   -5   15 o    5.109000      0.3553000       4.444000 0.5953000       5.774000      0.3878000      -1.329000      0.7105000
  1 1 1      28   -4    0 o    3.409000      0.5865000       3.328000 0.9319000       3.490000      0.7122000     -0.1624000       1.173000
  1 1 1      28   -4    1 o    7.911000      0.3170000       7.971000 0.4784000       7.851000      0.4160000      0.1200000      0.6339000
  1 1 1      28   -4    2 o    6.710000      0.3451000       6.485000 0.5585000       6.934000      0.4056000     -0.4485000      0.6903000
  1 1 1      28   -4    3 o    4.454000      0.4901000       4.357000 0.8042000       4.551000      0.5604000     -0.1938000      0.9802000
  1 1 1      28   -4    4 o    2.604000      0.6049000       2.866000 0.9154000       2.342000      0.7909000      0.5240000       1.210000
  1 1 1      28   -4    5 o    4.977000      0.4276000       4.613000 0.7238000       5.341000      0.4557000     -0.7281000      0.8553000
  1 1 1      28   -4    6 o    4.301000      0.4609000       3.930000 0.7551000       4.672000      0.5287000     -0.7418000      0.9218000
  1 1 1      28   -4    7 o    6.616000      0.3098000       7.092000 0.4670000       6.140000      0.4071000      0.9523000      0.6195000
  1 1 1      28   -4    8 o    6.638000      0.3007000       6.715000 0.4545000       6.561000      0.3939000      0.1541000      0.6014000
  1 1 1      28   -4    9 o    2.136000      0.5625000       2.569000 0.8746000       1.703000      0.7076000      0.8657000       1.125000
  1 1 1      28   -4   10 o    2.582000      0.5627000       2.810000 0.8478000       2.354000      0.7402000      0.4565000       1.125000
  1 1 1      28   -4   11 o    4.672000      0.4184000       3.885000 0.7313000       5.458000      0.4069000      -1.573000      0.8369000
  1 1 1      28   -4   12 o    7.771000      0.3859000       7.540000 0.5878000       8.003000      0.5002000     -0.4636000      0.7718000
  1 1 1      28   -4   13 o    8.032000      0.3735000       7.683000 0.5853000       8.382000      0.4641000     -0.6989000      0.7470000
  1 1 1      28   -4   14 o    1.995000      0.5440000       2.126000 0.8123000       1.863000      0.7238000      0.2631000       1.088000
  1 1 1      28   -4   15 o    6.203000      0.3428000       6.526000 0.5655000       5.880000      0.3878000      0.6459000      0.6857000
  1 1 1      28   -4   16 o    7.657000      0.3649000       7.078000 0.5755000       8.236000      0.4488000      -1.158000      0.7298000
  1 1 1      28   -4   17 o    3.400000      0.7026000       3.400000 0.7026000                  ?              ?              ?              ?
  1 1 1      28   -3    0 o    7.888000      0.3087000       7.974000 0.4740000       7.802000      0.3957000      0.1714000      0.6175000
  1 1 1      28   -3    1 o    6.056000      0.3535000       5.910000 0.5540000       6.201000      0.4393000     -0.2909000      0.7071000
  1 1 1      28   -3    2 o    4.639000      0.4725000       4.302000 0.7558000       4.977000      0.5671000     -0.6757000      0.9449000
  1 1 1      28   -3    3 o    5.944000      0.3651000       5.734000 0.5875000       6.154000      0.4336000     -0.4201000      0.7302000
  1 1 1      28   -3    4 o    7.895000      0.2949000       8.167000 0.4467000       7.622000      0.3852000      0.5451000      0.5898000
  1 1 1      28   -3    5 o    3.039000      0.5856000       3.522000 0.8410000       2.556000      0.8151000      0.9659000       1.171000
  1 1 1      28   -3    6 o    4.523000      0.4305000       5.031000 0.6274000       4.015000      0.5898000       1.016000      0.8611000
  1 1 1      28   -3    7 o    3.315000      0.5560000       3.228000 0.8671000       3.401000      0.6961000     -0.1731000       1.112000
  1 1 1      28   -3    8 o    4.261000      0.4632000       3.669000 0.7909000       4.853000      0.4826000      -1.184000      0.9265000
  1 1 1      28   -3    9 o    3.193000      0.5212000       2.897000 0.8433000       3.489000      0.6127000     -0.5922000       1.042000
  1 1 1      28   -3   10 o    2.782000      0.5245000       2.255000 0.8425000       3.310000      0.6250000      -1.055000       1.049000
  1 1 1      28   -3   11 o    3.251000      0.6520000       3.376000 0.9843000       3.126000      0.8552000      0.2499000       1.304000
  1 1 1      28   -3   12 o    6.557000      0.2862000       6.608000 0.4491000       6.506000      0.3549000      0.1022000      0.5724000
  1 1 1      28   -3   13 o    6.026000      0.2922000       6.058000 0.4532000       5.994000      0.3690000      0.6369000E-01  0.5844000
  1 1 1      28   -3   14 o    3.722000      0.5756000       3.357000 0.9243000       4.087000      0.6864000     -0.7304000       1.151000
  1 1 1      28   -3   15 o    5.626000      0.4233000       5.487000 0.6657000       5.765000      0.5232000     -0.2781000      0.8467000
  1 1 1      28   -3   16 o    2.803000      0.4994000       2.376000 0.7989000       3.230000      0.5996000     -0.8542000      0.9989000
  1 1 1      28   -3   17 o    4.629000      0.3337000       4.650000 0.5129000       4.608000      0.4269000      0.4259000E-01  0.6673000
  1 1 1      28   -3   18 o    2.581000      0.5126000       3.066000 0.7257000       2.095000      0.7240000      0.9710000       1.025000
  1 1 1      28   -2    0 o    2.573000      0.5906000       2.024000 0.8665000       3.123000      0.8029000      -1.099000       1.181000
  1 1 1      28   -2    1 o    6.289000      0.3393000       6.292000 0.5274000       6.286000      0.4271000      0.5364000E-02  0.6786000
  1 1 1      28   -2    2 o    5.810000      0.3726000       5.810000 0.5693000       5.810000      0.4809000     -0.5112000E-03  0.7453000
  1 1 1      28   -2    3 o    11.78000      0.2721000       11.40000 0.4032000       12.16000      0.3654000     -0.7599000      0.5441000
  1 1 1      28   -2    4 o    3.172000      0.5542000       2.605000 0.9139000       3.740000      0.6272000      -1.136000       1.108000
  1 1 1      28   -2    5 o    4.549000      0.4395000       4.629000 0.6949000       4.469000      0.5381000      0.1594000      0.8789000
  1 1 1      28   -2    6 o    2.951000      0.5561000       2.832000 0.8458000       3.070000      0.7223000     -0.2381000       1.112000
  1 1 1      28   -2    7 o    4.479000      0.4174000       4.954000 0.5901000       4.005000      0.5904000      0.9486000      0.8347000
  1 1 1      28   -2    8 o    7.471000      0.2851000       7.594000 0.4355000       7.348000      0.3679000      0.2457000      0.5701000
  1 1 1      28   -2    9 o    3.324000      0.5311000       3.512000 0.8073000       3.136000      0.6902000      0.3757000       1.062000
  1 1 1      28   -2   10 o    4.478000      0.5614000       3.442000 0.9698000       5.514000      0.5660000      -2.071000       1.123000
  1 1 1      28   -2   11 o    5.510000      0.3286000       5.321000 0.5244000       5.698000      0.3963000     -0.3771000      0.6573000
  1 1 1      28   -2   12 o    6.249000      0.2852000       6.000000 0.4479000       6.498000      0.3532000     -0.4980000      0.5704000
  1 1 1      28   -2   13 o    2.212000      0.6191000       2.572000 0.9506000       1.852000      0.7933000      0.7195000       1.238000
  1 1 1      28   -2   14 o    4.739000      0.3436000       4.816000 0.5394000       4.663000      0.4257000      0.1532000      0.6871000
  1 1 1      28   -2   15 o    4.422000      0.3520000       4.383000 0.5576000       4.462000      0.4298000     -0.7920000E-01  0.7040000
  1 1 1      28   -2   16 f    4.129000      0.3773000       3.642000 0.6286000       4.616000      0.4177000     -0.9736000      0.7547000
  1 1 1      28   -2   17 o    2.896000      0.4928000       2.817000 0.7564000       2.976000      0.6319000     -0.1588000      0.9856000
  1 1 1      28   -2   18 f    5.322000      0.2914000       5.637000 0.4144000       5.007000      0.4098000      0.6295000      0.5828000
  1 1 1      28   -2   19 o    3.424000      0.4391000       3.692000 0.5879000       3.157000      0.6524000      0.5350000      0.8782000
  1 1 1      28   -1    0 o    8.642000      0.3022000       8.456000 0.4610000       8.827000      0.3907000     -0.3717000      0.6043000
  1 1 1      28   -1    1 o    7.167000      0.3241000       7.692000 0.4805000       6.643000      0.4351000       1.049000      0.6482000
  1 1 1      28   -1    2 o    6.527000      0.3508000       6.381000 0.5484000       6.673000      0.4375000     -0.2923000      0.7015000
  1 1 1      28   -1    3 o    9.009000      0.2906000       8.256000 0.4413000       9.762000      0.3782000      -1.506000      0.5812000
  1 1 1      28   -1    4 o    4.830000      0.4434000       4.318000 0.7298000       5.341000      0.5039000      -1.023000      0.8869000
  1 1 1      28   -1    5 o    4.017000      0.4678000       4.184000 0.7296000       3.850000      0.5858000      0.3335000      0.9357000
  1 1 1      28   -1    6 o    4.049000      0.4680000       4.094000 0.7180000       4.004000      0.6005000      0.9059000E-01  0.9360000
  1 1 1      28   -1    7 o    5.808000      0.3525000       6.105000 0.5208000       5.511000      0.4751000      0.5938000      0.7050000
  1 1 1      28   -1    8 o    5.450000      0.3557000       5.609000 0.5359000       5.292000      0.4679000      0.3171000      0.7114000
  1 1 1      28   -1    9 f    5.197000      0.4901000       5.493000 0.7032000       4.901000      0.6828000      0.5927000      0.9802000
  1 1 1      28   -1   10 o    6.714000      0.2997000       7.413000 0.4432000       6.014000      0.4036000       1.400000      0.5994000
  1 1 1      28   -1   11 o    3.586000      0.4951000       3.407000 0.8027000       3.765000      0.5796000     -0.3583000      0.9901000
  1 1 1      28   -1   12 o    2.028000      0.5962000       1.861000 0.8547000       2.194000      0.8313000     -0.3331000       1.192000
  1 1 1      28   -1   13 o    4.892000      0.3415000       5.003000 0.5309000       4.781000      0.4298000      0.2223000      0.6831000
  1 1 1      28   -1   14 o    3.268000      0.4736000       3.247000 0.7506000       3.288000      0.5779000     -0.4069000E-01  0.9473000
  1 1 1      28   -1   15 o    8.619000      0.2286000       8.642000 0.3439000       8.597000      0.3012000      0.4570000E-01  0.4571000
  1 1 1      28   -1   16 o    7.909000      0.2339000       7.987000 0.3500000       7.830000      0.3103000      0.1572000      0.4677000
  1 1 1      28   -1   17 o    3.005000      0.4675000       3.036000 0.6961000       2.974000      0.6242000      0.6266000E-01  0.9350000
  1 1 1      28   -1   18 o    2.514000      0.7589000       2.514000 0.7589000                  ?              ?              ?              ?
  1 1 1      28   -1   19 o    5.897000      0.2697000       5.811000 0.4136000       5.983000      0.3463000     -0.1713000      0.5394000
  1 1 1      28   -1   20 o    5.013000      0.4023000       4.340000 0.7144000       5.686000      0.3701000      -1.346000      0.8046000
  1 1 1      28    0    0 o    8.741000      0.2910000       8.724000 0.4409000       8.757000      0.3799000     -0.3289000E-01  0.5820000
  1 1 1      28    0    1 o    6.631000      0.3307000       6.797000 0.5096000       6.464000      0.4215000      0.3327000      0.6614000
  1 1 1      28    0    2 o    7.650000      0.3126000       7.847000 0.4711000       7.452000      0.4110000      0.3953000      0.6252000
  1 1 1      28    0    3 o    5.555000      0.3768000       5.414000 0.5943000       5.696000      0.4632000     -0.2822000      0.7535000
  1 1 1      28    0    4 o    9.363000      0.2826000       9.422000 0.4333000       9.304000      0.3630000      0.1184000      0.5652000
  1 1 1      28    0    5 o    3.239000      0.5700000       3.554000 0.8561000       2.923000      0.7526000      0.6308000       1.140000
  1 1 1      28    0    6 o    2.088000      0.5807000       2.115000 0.8565000       2.061000      0.7845000      0.5433000E-01   1.161000
  1 1 1      28    0    7 o    7.369000      0.3115000       7.099000 0.4850000       7.638000      0.3911000     -0.5390000      0.6230000
  1 1 1      28    0    8 o    4.586000      0.5995000       4.510000 0.8837000       4.661000      0.8104000     -0.1513000       1.199000
  1 1 1      28    0    9 o    3.181000      0.5100000       2.274000 0.8716000       4.089000      0.5297000      -1.815000       1.020000
  1 1 1      28    0   10 o    1.590000      0.5001000       2.090000 0.8459000       1.089000      0.5335000       1.001000       1.000000
  1 1 1      28    0   11 o    5.608000      0.5141000       5.099000 0.8975000       6.117000      0.5018000      -1.018000       1.028000
  1 1 1      28    0   12 o    3.367000      0.5178000       3.123000 0.8325000       3.612000      0.6160000     -0.4895000       1.036000
  1 1 1      28    0   13 o    7.912000      0.2610000       7.755000 0.4041000       8.068000      0.3304000     -0.3127000      0.5219000
  1 1 1      28    0   14 o    7.551000      0.2540000       7.212000 0.3943000       7.890000      0.3204000     -0.6776000      0.5080000
  1 1 1      28    0   15 o    5.095000      0.3098000       5.187000 0.4780000       5.002000      0.3943000      0.1851000      0.6196000
  1 1 1      28    0   16 f    6.833000      0.2452000       6.849000 0.3798000       6.817000      0.3102000      0.3162000E-01  0.4904000
  1 1 1      28    0   17 o    2.276000      0.4887000       2.947000 0.7251000       1.605000      0.6553000       1.343000      0.9773000
  1 1 1      28    0   18 o    1.831000      0.7427000       1.831000 0.7427000                  ?              ?              ?              ?
  1 1 1      28    0   19 o    5.839000      0.2749000       5.394000 0.4301000       6.284000      0.3424000     -0.8908000      0.5498000
  1 1 1      28    0   20 o    2.517000      0.6747000                  ?       ?   2.517000      0.6747000                  ?              ?
  1 1 1      28    0   21 o    4.442000      0.4357000       4.161000 0.6890000       4.723000      0.5335000     -0.5614000      0.8714000
  1 1 1      28    1    0 o    6.319000      0.3118000       6.967000 0.4101000       5.671000      0.4698000       1.296000      0.6236000
  1 1 1      28    1    1 o    5.043000      0.3617000       4.866000 0.5226000       5.220000      0.5003000     -0.3534000      0.7235000
  1 1 1      28    1    2 o    9.939000      0.2612000       9.979000 0.3693000       9.899000      0.3694000      0.7941000E-01  0.5224000
  1 1 1      28    1    3 o    5.788000      0.4553000       5.717000 0.7807000       5.859000      0.4687000     -0.1422000      0.9106000
  1 1 1      28    1    4 o    4.835000      0.4108000       5.403000 0.5922000       4.268000      0.5695000       1.135000      0.8217000
  1 1 1      28    1    5 o    7.464000      0.3115000       6.923000 0.5005000       8.004000      0.3711000      -1.081000      0.6230000
  1 1 1      28    1    6 o    5.052000      0.4054000       4.641000 0.6807000       5.462000      0.4405000     -0.8212000      0.8108000
  1 1 1      28    1    7 o    6.291000      0.4516000       6.723000 0.6516000       5.859000      0.6255000      0.8637000      0.9032000
  1 1 1      28    1    8 o    6.621000      0.3142000       7.103000 0.4787000       6.139000      0.4072000      0.9638000      0.6284000
  1 1 1      28    1    9 o    3.616000      0.5252000       3.214000 0.8859000       4.018000      0.5645000     -0.8034000       1.050000
  1 1 1      28    1   10 o    3.292000      0.7124000       3.193000 1.125000       3.391000      0.8745000     -0.1973000       1.425000
  1 1 1      28    1   11 o    2.519000      0.5564000       2.348000 0.8508000       2.690000      0.7173000     -0.3414000       1.113000
  1 1 1      28    1   12 o    3.817000      0.4822000       3.234000 0.8269000       4.400000      0.4963000      -1.166000      0.9644000
  1 1 1      28    1   13 o    3.118000      0.5161000       2.696000 0.8472000       3.541000      0.5895000     -0.8450000       1.032000
  1 1 1      28    1   14 o    1.700000      0.5123000       1.846000 0.7794000       1.555000      0.6650000      0.2911000       1.025000
  1 1 1      28    1   15 o    7.323000      0.2546000       7.293000 0.3940000       7.353000      0.3226000     -0.5920000E-01  0.5092000
  1 1 1      28    1   16 o    10.10000      0.2315000       9.701000 0.3523000       10.49000      0.3003000     -0.7886000      0.4629000
  1 1 1      28    1   17 o    7.238000      0.2391000       7.236000 0.3637000       7.241000      0.3105000     -0.5600000E-02  0.4782000
  1 1 1      28    1   18 o    5.389000      0.2875000       5.497000 0.4361000       5.281000      0.3746000      0.2161000      0.5750000
  1 1 1      28    1   19 o    1.653000      0.4562000       2.267000 0.7600000       1.040000      0.5047000       1.227000      0.9124000
  1 1 1      28    1   20 o    1.549000      0.4584000       1.955000 0.7399000       1.144000      0.5413000      0.8114000      0.9168000
  1 1 1      28    1   21 o    6.188000      0.2354000       5.906000 0.3637000       6.470000      0.2990000     -0.5639000      0.4708000
  1 1 1      28    2    0 o    2.803000      0.5537000       3.025000 0.7646000       2.582000      0.8011000      0.4432000       1.107000
  1 1 1      28    2    1 o    7.002000      0.2935000       7.152000 0.4032000       6.852000      0.4266000      0.3001000      0.5870000
  1 1 1      28    2    2 o    3.293000      0.5136000       3.368000 0.6879000       3.218000      0.7627000      0.1498000       1.027000
  1 1 1      28    2    3 o    8.878000      0.2612000       8.757000 0.3623000       8.999000      0.3763000     -0.2420000      0.5224000
  1 1 1      28    2    4 o    6.795000      0.2924000       7.090000 0.3962000       6.500000      0.4302000      0.5904000      0.5849000
  1 1 1      28    2    5 o    9.480000      0.2517000       9.561000 0.3642000       9.400000      0.3475000      0.1615000      0.5034000
  1 1 1      28    2    6 o    2.693000      0.6402000       2.030000 0.9135000       3.356000      0.8972000      -1.326000       1.280000
  1 1 1      28    2    7 o    8.805000      0.3267000       8.497000 0.5540000       9.113000      0.3464000     -0.6156000      0.6533000
  1 1 1      28    2    8 o    8.052000      0.2822000       8.082000 0.4403000       8.022000      0.3532000      0.5936000E-01  0.5645000
  1 1 1      28    2    9 o    5.862000      0.5297000       5.658000 0.9159000       6.067000      0.5323000     -0.4092000       1.059000
  1 1 1      28    2   10 o    2.543000      0.6049000       2.098000 0.8585000       2.988000      0.8524000     -0.8900000       1.210000
  1 1 1      28    2   11 o    6.113000      0.3302000       5.980000 0.5226000       6.246000      0.4039000     -0.2666000      0.6604000
  1 1 1      28    2   12 f    6.208000      0.3019000       6.429000 0.4705000       5.988000      0.3783000      0.4412000      0.6037000
  1 1 1      28    2   13 o    1.989000      0.5357000       2.517000 0.8696000       1.462000      0.6259000       1.056000       1.071000
  1 1 1      28    2   14 o    5.259000      0.3339000       5.413000 0.5251000       5.105000      0.4125000      0.3077000      0.6677000
  1 1 1      28    2   15 o    9.655000      0.2384000       9.880000 0.3636000       9.431000      0.3084000      0.4489000      0.4768000
  1 1 1      28    2   16 o    4.938000      0.3406000       4.358000 0.5702000       5.517000      0.3728000      -1.159000      0.6813000
  1 1 1      28    2   17 o    3.909000      0.3884000       3.764000 0.6313000       4.053000      0.4526000     -0.2891000      0.7768000
  1 1 1      28    2   18 o    2.758000      0.4899000       2.729000 0.7537000       2.787000      0.6260000     -0.5885000E-01  0.9797000
  1 1 1      28    2   19 o    2.105000      0.4975000       2.559000 0.7411000       1.652000      0.6639000      0.9077000      0.9950000
  1 1 1      28    2   20 o    1.815000      0.4881000       1.691000 0.7022000       1.940000      0.6782000     -0.2489000      0.9762000
  1 1 1      28    2   21 o    3.328000      0.5342000       2.317000 0.8799000       4.340000      0.6060000      -2.023000       1.068000
  1 1 1      28    2   22 o    1.684000      0.5206000       1.769000 0.7673000       1.600000      0.7037000      0.1691000       1.041000
  1 1 1      28    3    0 o    1.923000      0.5266000       1.479000 0.6763000       2.367000      0.8074000     -0.8887000       1.053000
  1 1 1      28    3    1 o    3.391000      0.5087000       3.334000 0.7432000       3.449000      0.6949000     -0.1155000       1.017000
  1 1 1      28    3    2 o    9.273000      0.2623000       9.241000 0.3705000       9.305000      0.3714000     -0.6421000E-01  0.5246000
  1 1 1      28    3    3 o    8.637000      0.2634000       9.123000 0.3597000       8.151000      0.3849000      0.9722000      0.5268000
  1 1 1      28    3    4 o    2.437000      0.4930000       1.588000 0.7072000       3.285000      0.6872000      -1.697000      0.9861000
  1 1 1      28    3    5 o    5.216000      0.5237000       5.656000 0.7490000       4.775000      0.7320000      0.8809000       1.047000
  1 1 1      28    3    6 o    10.05000      0.3755000       9.632000 0.5452000       10.46000      0.5164000     -0.8292000      0.7509000
  1 1 1      28    3    7 o    8.920000      0.2477000       8.970000 0.3619000       8.871000      0.3383000      0.9873000E-01  0.4954000
  1 1 1      28    3    8 o    6.006000      0.3832000       5.757000 0.5450000       6.255000      0.5388000     -0.4984000      0.7663000
  1 1 1      28    3    9 o    5.489000      0.3843000       5.086000 0.5399000       5.892000      0.5469000     -0.8063000      0.7685000
  1 1 1      28    3   10 o    7.981000      0.2503000       8.340000 0.3486000       7.622000      0.3592000      0.7184000      0.5005000
  1 1 1      28    3   11 o    5.902000      0.3304000       5.777000 0.5275000       6.028000      0.3980000     -0.2513000      0.6608000
  1 1 1      28    3   12 o    2.212000      0.5694000       2.280000 0.8636000       2.145000      0.7422000      0.1356000       1.139000
  1 1 1      28    3   13 o    3.144000      0.5191000       2.808000 0.8499000       3.480000      0.5962000     -0.6717000       1.038000
  1 1 1      28    3   14 o    2.585000      0.4826000       1.784000 0.7747000       3.387000      0.5758000      -1.603000      0.9653000
  1 1 1      28    3   15 o    5.958000      0.2945000       6.232000 0.4633000       5.684000      0.3637000      0.5483000      0.5890000
  1 1 1      28    3   16 o    6.962000      0.2586000       7.204000 0.3933000       6.720000      0.3359000      0.4838000      0.5172000
  1 1 1      28    3   17 o    2.354000      0.5320000       2.229000 0.7968000       2.478000      0.7050000     -0.2491000       1.064000
  1 1 1      28    3   18 o    1.711000      0.4927000       2.010000 0.7634000       1.413000      0.6231000      0.5973000      0.9854000
  1 1 1      28    3   19 o    1.868000      0.7393000       1.868000 0.7393000                  ?              ?              ?              ?
  1 1 1      28    3   20 o    2.111000      0.4947000       2.135000 0.7399000       2.086000      0.6569000      0.4938000E-01  0.9895000
  1 1 1      28    3   21 o    2.378000      0.7994000                  ?       ?   2.378000      0.7994000                  ?              ?
  1 1 1      28    3   22 o    3.419000      0.3571000       3.332000 0.5559000       3.506000      0.4483000     -0.1743000      0.7142000
  1 1 1      28    4    0 o    7.969000      0.2772000       8.048000 0.3848000       7.889000      0.3991000      0.1592000      0.5544000
  1 1 1      28    4    1 o    7.785000      0.2780000       7.617000 0.4013000       7.953000      0.3848000     -0.3359000      0.5560000
  1 1 1      28    4    2 o    6.745000      0.2973000       7.119000 0.4029000       6.371000      0.4372000      0.7479000      0.5945000
  1 1 1      28    4    3 o    13.87000      0.2613000       13.78000 0.3685000       13.96000      0.3706000     -0.1795000      0.5226000
  1 1 1      28    4    4 o    11.50000      0.2523000       11.27000 0.3567000       11.73000      0.3569000     -0.4583000      0.5046000
  1 1 1      28    4    5 o    6.933000      0.4194000       7.196000 0.6181000       6.670000      0.5669000      0.5257000      0.8387000
  1 1 1      28    4    6 o    10.58000      0.2497000       10.41000 0.3569000       10.74000      0.3494000     -0.3355000      0.4995000
  1 1 1      28    4    7 o    2.247000      0.5155000       2.828000 0.7477000       1.665000      0.7099000       1.162000       1.031000
  1 1 1      28    4    8 o    3.180000      0.5718000       2.526000 0.8584000       3.835000      0.7555000      -1.309000       1.144000
  1 1 1      28    4    9 o    1.625000      0.4853000       1.341000 0.6187000       1.908000      0.7480000     -0.5673000      0.9707000
  1 1 1      28    4   10 o    9.106000      0.2363000       9.239000 0.3312000       8.972000      0.3371000      0.2676000      0.4726000
  1 1 1      28    4   11 o    6.532000      0.2722000       6.212000 0.3981000       6.851000      0.3712000     -0.6389000      0.5443000
  1 1 1      28    4   12 o    8.223000      0.2432000       8.486000 0.3409000       7.960000      0.3469000      0.5254000      0.4864000
  1 1 1      28    4   13 o    1.462000      0.4495000       1.237000 0.5734000       1.688000      0.6924000     -0.4514000      0.8990000
  1 1 1      28    4   14 o    2.148000      0.5448000       1.959000 0.8092000       2.337000      0.7297000     -0.3785000       1.090000
  1 1 1      28    4   15 o    8.562000      0.2500000       8.801000 0.3932000       8.323000      0.3089000      0.4775000      0.5000000
  1 1 1      28    4   16 o    7.137000      0.2710000       7.013000 0.4304000       7.261000      0.3294000     -0.2472000      0.5420000
  1 1 1      28    4   17 o    4.038000      0.3813000       4.519000 0.5440000       3.557000      0.5345000      0.9620000      0.7627000
  1 1 1      28    4   18 o    3.689000      0.3875000       3.805000 0.6034000       3.574000      0.4863000      0.2317000      0.7750000
  1 1 1      28    4   19 o    3.239000      0.6612000       3.239000 0.6612000                  ?              ?              ?              ?
  1 1 1      28    4   20 o    3.873000      0.5359000       3.727000 0.8598000       4.018000      0.6401000     -0.2916000       1.072000
  1 1 1      28    4   21 o    3.149000      0.5057000                  ?       ?   3.149000      0.5057000                  ?              ?
  1 1 1      28    4   22 o    2.610000      0.4054000       1.799000 0.6766000       3.420000      0.4470000      -1.621000      0.8109000
  1 1 1      28    4   23 o    1.785000      0.5022000       1.541000 0.6858000       2.029000      0.7338000     -0.4880000       1.004000
  1 1 1      28    5    0 o    4.399000      0.4236000       4.295000 0.6012000       4.503000      0.5969000     -0.2082000      0.8472000
  1 1 1      28    5    1 o    1.826000      0.5419000       1.624000 0.7245000       2.029000      0.8060000     -0.4042000       1.084000
  1 1 1      28    5    2 o    4.199000      0.4496000       4.531000 0.5692000       3.868000      0.6961000      0.6632000      0.8992000
  1 1 1      28    5    3 o    9.899000      0.2625000       9.781000 0.3752000       10.02000      0.3673000     -0.2355000      0.5250000
  1 1 1      28    5    4 o    7.631000      0.4088000       8.241000 0.5656000       7.022000      0.5903000       1.219000      0.8175000
  1 1 1      28    5    5 o    5.078000      0.5587000       5.395000 0.7416000       4.760000      0.8358000      0.6343000       1.117000
  1 1 1      28    5    6 o    4.922000      0.3561000       5.092000 0.4866000       4.752000      0.5201000      0.3404000      0.7122000
  1 1 1      28    5    7 o    2.136000      0.5787000       2.539000 0.8606000       1.732000      0.7740000      0.8068000       1.157000
  1 1 1      28    5    8 o    7.198000      0.3496000       7.124000 0.4809000       7.271000      0.5075000     -0.1475000      0.6992000
  1 1 1      28    5    9 o    4.016000      0.4199000       4.622000 0.4999000       3.411000      0.6748000       1.210000      0.8398000
  1 1 1      28    5   10 o    7.457000      0.2599000       7.450000 0.3707000       7.465000      0.3644000     -0.1544000E-01  0.5199000
  1 1 1      28    5   11 o    1.564000      0.4796000       1.345000 0.6242000       1.782000      0.7284000     -0.4373000      0.9593000
  1 1 1      28    5   12 o    12.69000      0.2404000       12.83000 0.3400000       12.55000      0.3400000      0.2788000      0.4808000
  1 1 1      28    5   13 o    4.174000      0.3767000       4.566000 0.4627000       3.783000      0.5945000      0.7837000      0.7533000
  1 1 1      28    5   14 o    4.759000      0.3169000       4.980000 0.4189000       4.538000      0.4755000      0.4416000      0.6337000
  1 1 1      28    5   15 o    2.351000      0.4854000       1.781000 0.6969000       2.921000      0.6758000      -1.140000      0.9707000
  1 1 1      28    5   16 o    4.274000      0.3376000       4.111000 0.4899000       4.437000      0.4647000     -0.3260000      0.6753000
  1 1 1      28    5   17 o    6.624000      0.2665000       6.963000 0.4167000       6.285000      0.3322000      0.6783000      0.5329000
  1 1 1      28    5   18 o    3.100000      0.4506000       1.976000 0.7869000       4.223000      0.4393000      -2.247000      0.9012000
  1 1 1      28    5   19 o    5.780000      0.3311000       5.759000 0.4282000       5.802000      0.5052000     -0.4337000E-01  0.6622000
  1 1 1      28    5   20 o    6.262000      0.3665000       6.256000 0.5682000       6.269000      0.4632000     -0.1263000E-01  0.7331000
  1 1 1      28    5   21 o    4.682000      0.2913000       3.962000 0.4871000       5.402000      0.3197000      -1.440000      0.5826000
  1 1 1      28    5   22 o    2.203000      0.5241000       1.993000 0.7677000       2.413000      0.7136000     -0.4200000       1.048000
  1 1 1      28    5   23 o    2.619000      0.3916000       2.170000 0.6326000       3.068000      0.4618000     -0.8979000      0.7833000
  1 1 1      28    6    0 o    10.60000      0.2645000       10.74000 0.3747000       10.46000      0.3733000      0.2731000      0.5290000
  1 1 1      28    6    1 o    3.061000      0.5545000       2.853000 0.8032000       3.269000      0.7648000     -0.4165000       1.109000
  1 1 1      28    6    2 o    6.426000      0.3179000       6.397000 0.4505000       6.454000      0.4486000     -0.5713000E-01  0.6358000
  1 1 1      28    6    3 o    1.857000      0.5385000       2.089000 0.8054000       1.625000      0.7152000      0.4634000       1.077000
  1 1 1      28    6    4 o    4.486000      0.6088000       3.834000 0.9560000       5.139000      0.7540000      -1.305000       1.218000
  1 1 1      28    6    5 o    6.717000      0.2942000       7.151000 0.4030000       6.284000      0.4287000      0.8670000      0.5884000
  1 1 1      28    6    6 o    8.604000      0.2602000       8.661000 0.3672000       8.548000      0.3688000      0.1129000      0.5204000
  1 1 1      28    6    7 o    4.675000      0.5243000       5.309000 0.6351000       4.041000      0.8344000       1.268000       1.049000
  1 1 1      28    6    8 o    2.940000      0.5367000       3.032000 0.7489000       2.849000      0.7690000      0.1830000       1.073000
  1 1 1      28    6    9 o    3.337000      0.4938000       2.944000 0.7478000       3.731000      0.6450000     -0.7867000      0.9875000
  1 1 1      28    6   10 o    3.372000      0.4783000       2.736000 0.7649000       4.008000      0.5744000      -1.272000      0.9566000
  1 1 1      28    6   11 o    6.325000      0.2804000       6.170000 0.3974000       6.479000      0.3958000     -0.3097000      0.5609000
  1 1 1      28    6   12 o    12.41000      0.2390000       12.57000 0.3372000       12.25000      0.3389000      0.3173000      0.4781000
  1 1 1      28    6   13 o    7.223000      0.2556000       6.872000 0.3665000       7.574000      0.3564000     -0.7024000      0.5112000
  1 1 1      28    6   14 o    4.056000      0.3824000       4.216000 0.4999000       3.897000      0.5787000      0.3194000      0.7647000
  1 1 1      28    6   15 o    1.974000      0.5164000       2.106000 0.7254000       1.841000      0.7351000      0.2647000       1.033000
  1 1 1      28    6   16 o    5.574000      0.2757000       5.685000 0.3836000       5.464000      0.3962000      0.2209000      0.5515000
  1 1 1      28    6   17 o    7.110000      0.2355000       7.443000 0.3235000       6.776000      0.3424000      0.6663000      0.4710000
  1 1 1      28    6   18 f    6.790000      0.2287000       6.851000 0.3228000       6.730000      0.3241000      0.1204000      0.4574000
  1 1 1      28    6   19 o    9.604000      0.3190000       9.650000 0.4858000       9.559000      0.4136000      0.9085000E-01  0.6380000
  1 1 1      28    6   20 o    2.242000      0.4695000       2.449000 0.6681000       2.034000      0.6598000      0.4149000      0.9390000
  1 1 1      28    6   21 o    1.478000      0.4319000       1.820000 0.6826000       1.135000      0.5294000      0.6842000      0.8638000
  1 1 1      28    6   22 o    3.326000      0.4635000       2.383000 0.7917000       4.268000      0.4823000      -1.885000      0.9270000
  1 1 1      28    6   23 f    2.508000      0.3959000       2.079000 0.6354000       2.936000      0.4726000     -0.8567000      0.7919000
  1 1 1      28    6   24 o    1.876000      0.4174000       1.807000 0.6165000       1.944000      0.5627000     -0.1376000      0.8347000
  1 1 1      28    7    0 o    8.259000      0.2808000       7.879000 0.4065000       8.640000      0.3876000     -0.7607000      0.5617000
  1 1 1      28    7    1 f    4.764000      0.3955000       4.389000 0.5915000       5.138000      0.5253000     -0.7487000      0.7911000
  1 1 1      28    7    2 o    7.833000      0.2853000       7.717000 0.4125000       7.949000      0.3942000     -0.2317000      0.5705000
  1 1 1      28    7    3 o    1.809000      0.5032000       1.211000 0.5912000       2.407000      0.8144000      -1.195000       1.006000
  1 1 1      28    7    4 o    9.047000      0.3882000       8.792000 0.5642000       9.302000      0.5333000     -0.5103000      0.7764000
  1 1 1      28    7    5 o    11.48000      0.2542000       11.38000 0.3584000       11.57000      0.3606000     -0.1871000      0.5084000
  1 1 1      28    7    6 o    10.19000      0.2560000       9.799000 0.3581000       10.58000      0.3661000     -0.7837000      0.5121000
  1 1 1      28    7    7 o    10.38000      0.3452000       10.89000 0.4694000       9.862000      0.5062000       1.028000      0.6904000
  1 1 1      28    7    8 o    4.291000      0.4076000       4.423000 0.5565000       4.159000      0.5958000      0.2640000      0.8152000
  1 1 1      28    7    9 o    5.213000      0.3455000       4.779000 0.5175000       5.646000      0.4580000     -0.8672000      0.6911000
  1 1 1      28    7   10 o    5.233000      0.3363000       5.424000 0.4491000       5.042000      0.5006000      0.3822000      0.6725000
  1 1 1      28    7   11 o    1.881000      0.5292000       1.769000 0.7320000       1.993000      0.7645000     -0.2236000       1.058000
  1 1 1      28    7   12 o    6.403000      0.2785000       6.613000 0.3867000       6.193000      0.4008000      0.4206000      0.5570000
  1 1 1      28    7   13 o    12.23000      0.2426000       12.45000 0.3466000       12.01000      0.3396000      0.4436000      0.4852000
  1 1 1      28    7   14 o    4.638000      0.3721000       3.934000 0.5954000       5.342000      0.4465000      -1.407000      0.7442000
  1 1 1      28    7   15 o    5.116000      0.3146000       5.161000 0.4317000       5.070000      0.4579000      0.9117000E-01  0.6293000
  1 1 1      28    7   16 o    2.339000      0.4738000       1.590000 0.6742000       3.088000      0.6660000      -1.498000      0.9477000
  1 1 1      28    7   17 f    4.799000      0.2918000       5.010000 0.3974000       4.588000      0.4275000      0.4223000      0.5837000
  1 1 1      28    7   18 o    5.607000      0.2551000       5.734000 0.3476000       5.481000      0.3736000      0.2532000      0.5103000
  1 1 1      28    7   19 o    7.131000      0.3237000       7.171000 0.4813000       7.091000      0.4330000      0.8034000E-01  0.6474000
  1 1 1      28    7   20 o    4.481000      0.3667000       4.481000 0.3667000                  ?              ?              ?              ?
  1 1 1      28    7   21 o    2.327000      0.4144000       1.897000 0.6184000       2.757000      0.5518000     -0.8595000      0.8288000
  1 1 1      28    7   22 o    3.229000      0.6178000                  ?       ?   3.229000      0.6178000                  ?              ?
  1 1 1      28    7   23 o    1.627000      0.3980000       2.228000 0.6354000       1.025000      0.4794000       1.203000      0.7959000
  1 1 1      28    7   24 o    1.380000      0.3969000       1.469000 0.5843000       1.291000      0.5373000      0.1778000      0.7938000
  1 1 1      28    8    0 o    8.366000      0.3526000       8.807000 0.3932000       7.924000      0.5854000      0.8825000      0.7052000
  1 1 1      28    8    1 o    7.634000      0.2966000       7.315000 0.4262000       7.953000      0.4126000     -0.6376000      0.5932000
  1 1 1      28    8    2 o    9.494000      0.2676000       9.591000 0.3820000       9.397000      0.3749000      0.1937000      0.5353000
  1 1 1      28    8    3 o    2.719000      0.6788000       3.322000 1.023000       2.116000      0.8928000       1.206000       1.358000
  1 1 1      28    8    4 o    4.220000      0.6426000       4.206000 0.9332000       4.234000      0.8837000     -0.2806000E-01   1.285000
  1 1 1      28    8    5 o    12.45000      0.2564000       12.64000 0.3666000       12.26000      0.3585000      0.3823000      0.5127000
  1 1 1      28    8    6 o    11.39000      0.3533000       11.67000 0.4965000       11.11000      0.5028000      0.5623000      0.7066000
  1 1 1      28    8    7 o    9.279000      0.3443000       9.021000 0.4810000       9.537000      0.4927000     -0.5161000      0.6885000
  1 1 1      28    8    8 o    2.241000      0.5176000       2.941000 0.7702000       1.541000      0.6916000       1.399000       1.035000
  1 1 1      28    8    9 o    6.779000      0.2824000       6.704000 0.3991000       6.855000      0.3996000     -0.1511000      0.5648000
  1 1 1      28    8   10 o    10.92000      0.2403000       11.05000 0.3378000       10.79000      0.3418000      0.2562000      0.4806000
  1 1 1      28    8   11 o    6.508000      0.2818000       6.975000 0.3804000       6.041000      0.4159000      0.9342000      0.5636000
  1 1 1      28    8   12 o    6.252000      0.2912000       6.219000 0.4225000       6.285000      0.4009000     -0.6536000E-01  0.5824000
  1 1 1      28    8   13 o    17.53000      0.2803000       17.59000 0.3985000       17.46000      0.3943000      0.1373000      0.5606000
  1 1 1      28    8   14 o    3.621000      0.4418000       3.579000 0.6240000       3.663000      0.6256000     -0.8390000E-01  0.8836000
  1 1 1      28    8   15 o    6.032000      0.2800000       5.922000 0.4007000       6.143000      0.3913000     -0.2210000      0.5601000
  1 1 1      28    8   16 o    4.562000      0.3258000       4.751000 0.4411000       4.373000      0.4795000      0.3783000      0.6515000
  1 1 1      28    8   17 o    4.823000      0.2951000       4.472000 0.4485000       5.173000      0.3836000     -0.7015000      0.5902000
  1 1 1      28    8   18 o    5.072000      0.2781000       5.477000 0.3770000       4.667000      0.4089000      0.8107000      0.5562000
  1 1 1      28    8   19 o    4.875000      0.4610000       4.052000 0.7756000       5.699000      0.4984000      -1.648000      0.9219000
  1 1 1      28    8   20 o    6.243000      0.3213000       6.243000 0.3213000                  ?              ?              ?              ?
  1 1 1      28    8   21 o    2.706000      0.3936000       2.495000 0.5711000       2.917000      0.5419000     -0.4222000      0.7873000
  1 1 1      28    8   22 o    1.778000      0.7248000                  ?       ?   1.778000      0.7248000                  ?              ?
  1 1 1      28    8   23 o    1.646000      0.4234000       1.664000 0.6084000       1.628000      0.5891000      0.3511000E-01  0.8469000
  1 1 1      28    8   24 o    2.432000      0.4530000       2.640000 0.7503000       2.223000      0.5079000      0.4175000      0.9061000
  1 1 1      28    9    0 o    16.42000      0.2874000       16.51000 0.4095000       16.32000      0.4034000      0.1914000      0.5748000
  1 1 1      28    9    1 o    6.798000      0.3210000       6.670000 0.4697000       6.926000      0.4376000     -0.2568000      0.6419000
  1 1 1      28    9    2 o    2.612000      0.5658000       2.034000 0.8237000       3.190000      0.7758000      -1.156000       1.132000
  1 1 1      28    9    3 o    3.206000      0.7026000       3.622000 1.014000       2.790000      0.9731000      0.8315000       1.405000
  1 1 1      28    9    4 o    10.80000      0.3712000       10.87000 0.5435000       10.74000      0.5058000      0.1370000      0.7425000
  1 1 1      28    9    5 o    16.25000      0.2791000       16.46000 0.3986000       16.03000      0.3908000      0.4255000      0.5582000
  1 1 1      28    9    6 o    9.845000      0.3637000       9.640000 0.5064000       10.05000      0.5221000     -0.4116000      0.7274000
  1 1 1      28    9    7 o    6.215000      0.4514000       5.505000 0.6810000       6.925000      0.5927000      -1.420000      0.9028000
  1 1 1      28    9    8 f    9.496000      0.2586000       9.424000 0.3651000       9.567000      0.3663000     -0.1435000      0.5172000
  1 1 1      28    9    9 o    5.996000      0.3165000       5.628000 0.4726000       6.363000      0.4211000     -0.7346000      0.6329000
  1 1 1      28    9   10 f    3.934000      0.4524000       4.336000 0.5909000       3.532000      0.6851000      0.8041000      0.9047000
  1 1 1      28    9   11 o    2.428000      0.5731000       2.306000 0.8158000       2.550000      0.8050000     -0.2440000       1.146000
  1 1 1      28    9   12 o    1.621000      0.5015000       1.517000 0.6862000       1.725000      0.7316000     -0.2083000       1.003000
  1 1 1      28    9   13 o    7.723000      0.2619000       7.892000 0.3580000       7.555000      0.3825000      0.3365000      0.5239000
  1 1 1      28    9   14 o    9.221000      0.2382000       9.208000 0.3374000       9.235000      0.3364000     -0.2654000E-01  0.4764000
  1 1 1      28    9   15 o    8.843000      0.2363000       8.806000 0.3369000       8.880000      0.3316000     -0.7381000E-01  0.4727000
  1 1 1      28    9   16 o    4.888000      0.3248000       5.492000 0.4132000       4.284000      0.5012000       1.207000      0.6496000
  1 1 1      28    9   17 o    4.451000      0.3355000       4.805000 0.4550000       4.097000      0.4931000      0.7081000      0.6710000
  1 1 1      28    9   18 o    9.038000      0.2160000       9.174000 0.3132000       8.902000      0.2976000      0.2721000      0.4320000
  1 1 1      28    9   19 o    2.923000      0.6052000       3.068000 0.9412000       2.779000      0.7611000      0.2891000       1.210000
  1 1 1      28    9   20 o    5.232000      0.2590000       5.849000 0.3279000       4.616000      0.4009000       1.233000      0.5180000
  1 1 1      28    9   21 o    2.440000      0.4262000       2.988000 0.5480000       1.892000      0.6528000       1.097000      0.8523000
  1 1 1      28    9   22 o    3.568000      0.3617000       3.216000 0.4421000       3.920000      0.5727000     -0.7034000      0.7235000
  1 1 1      28    9   23 o    3.564000      0.2858000       3.754000 0.4009000       3.374000      0.4073000      0.3806000      0.5715000
  1 1 1      28    9   24 o    6.090000      0.1826000       5.899000 0.2731000       6.281000      0.2423000     -0.3818000      0.3651000
  1 1 1      28    9   25 o    3.323000      0.3871000       2.647000 0.7081000       4.000000      0.3128000      -1.353000      0.7742000
  1 1 1      28   10    0 o    20.06000      0.3201000       20.50000 0.4592000       19.63000      0.4460000      0.8736000      0.6401000
  1 1 1      28   10    1 o    14.17000      0.2756000       14.38000 0.3923000       13.96000      0.3873000      0.4229000      0.5512000
  1 1 1      28   10    2 o    7.673000      0.3036000       7.518000 0.4380000       7.827000      0.4205000     -0.3090000      0.6071000
  1 1 1      28   10    3 o    5.533000      0.5053000       5.624000 0.7427000       5.443000      0.6854000      0.1815000       1.011000
  1 1 1      28   10    4 o    10.66000      0.3733000       10.63000 0.5534000       10.70000      0.5010000     -0.7294000E-01  0.7465000
  1 1 1      28   10    5 f    9.516000      0.2736000       9.339000 0.3988000       9.692000      0.3746000     -0.3532000      0.5471000
  1 1 1      28   10    6 o    8.239000      0.3999000       8.259000 0.5594000       8.219000      0.5716000      0.4029000E-01  0.7998000
  1 1 1      28   10    7 o    6.699000      0.4332000       6.529000 0.6106000       6.870000      0.6147000     -0.3407000      0.8664000
  1 1 1      28   10    8 o    6.197000      0.3211000       6.248000 0.4560000       6.147000      0.4522000      0.1005000      0.6422000
  1 1 1      28   10    9 o    3.180000      0.5364000       3.171000 0.7719000       3.189000      0.7450000     -0.1880000E-01   1.073000
  1 1 1      28   10   10 o    8.864000      0.2588000       8.934000 0.3674000       8.794000      0.3645000      0.1400000      0.5176000
  1 1 1      28   10   11 o    9.447000      0.2493000       9.712000 0.3569000       9.182000      0.3481000      0.5299000      0.4986000
  1 1 1      28   10   12 o    8.914000      0.2539000       8.678000 0.3666000       9.150000      0.3512000     -0.4717000      0.5077000
  1 1 1      28   10   13 o    11.80000      0.2436000       11.63000 0.3454000       11.98000      0.3436000     -0.3478000      0.4872000
  1 1 1      28   10   14 o    16.98000      0.2742000       17.22000 0.3926000       16.75000      0.3829000      0.4664000      0.5484000
  1 1 1      28   10   15 o    3.863000      0.4378000       4.230000 0.5709000       3.496000      0.6638000      0.7348000      0.8756000
  1 1 1      28   10   16 o    7.376000      0.2514000       7.488000 0.3617000       7.264000      0.3493000      0.2246000      0.5028000
  1 1 1      28   10   17 o    7.194000      0.2454000       7.172000 0.3645000       7.216000      0.3287000     -0.4376000E-01  0.4908000
  1 1 1      28   10   18 o    11.54000      0.2225000       11.47000 0.3200000       11.61000      0.3093000     -0.1322000      0.4451000
  1 1 1      28   10   19 o    2.996000      0.5624000       2.778000 0.8911000       3.213000      0.6866000     -0.4346000       1.125000
  1 1 1      28   10   20 o    4.665000      0.3994000       4.654000 0.6463000       4.675000      0.4696000     -0.2093000E-01  0.7989000
  1 1 1      28   10   21 o    2.411000      0.4561000       2.447000 0.6579000       2.375000      0.6319000      0.7178000E-01  0.9122000
  1 1 1      28   10   22 o    5.678000      0.3385000       6.262000 0.4027000       5.094000      0.5441000       1.169000      0.6769000
  1 1 1      28   10   23 o    3.438000      0.3119000       3.218000 0.4941000       3.658000      0.3808000     -0.4404000      0.6238000
  1 1 1      28   10   24 o    7.337000      0.2048000       7.146000 0.2613000       7.527000      0.3155000     -0.3812000      0.4097000
  1 1 1      28   10   25 o    3.932000      0.3536000       3.931000 0.4989000       3.933000      0.5013000     -0.2239000E-02  0.7073000
  1 1 1      28   11    0 o    6.569000      0.3274000       6.724000 0.4557000       6.415000      0.4702000      0.3087000      0.6548000
  1 1 1      28   11    1 o    6.757000      0.3231000       6.742000 0.4642000       6.773000      0.4496000     -0.3132000E-01  0.6463000
  1 1 1      28   11    2 o    8.028000      0.2893000       8.164000 0.4132000       7.893000      0.4051000      0.2708000      0.5786000
  1 1 1      28   11    3 o    6.568000      0.4474000       7.375000 0.6195000       5.760000      0.6458000       1.615000      0.8949000
  1 1 1      28   11    4 o    12.02000      0.3676000       12.51000 0.5346000       11.53000      0.5047000      0.9844000      0.7352000
  1 1 1      28   11    5 f    2.978000      0.5722000       2.785000 0.8515000       3.170000      0.7646000     -0.3850000       1.144000
  1 1 1      28   11    6 o    3.876000      0.4453000       4.132000 0.5824000       3.620000      0.6738000      0.5127000      0.8906000
  1 1 1      28   11    7 o    9.087000      0.3707000       8.977000 0.5165000       9.196000      0.5318000     -0.2187000      0.7413000
  1 1 1      28   11    8 o    11.98000      0.2529000       11.76000 0.3587000       12.20000      0.3566000     -0.4385000      0.5058000
  1 1 1      28   11    9 o    6.578000      0.3062000       6.917000 0.4314000       6.240000      0.4346000      0.6774000      0.6123000
  1 1 1      28   11   10 o    15.68000      0.2706000       15.63000 0.3873000       15.73000      0.3781000     -0.9811000E-01  0.5413000
  1 1 1      28   11   11 o    6.599000      0.2960000       6.760000 0.4202000       6.438000      0.4170000      0.3220000      0.5920000
  1 1 1      28   11   12 o    2.477000      0.5666000       2.853000 0.8125000       2.101000      0.7899000      0.7519000       1.133000
  1 1 1      28   11   13 o    11.77000      0.2449000       11.96000 0.3512000       11.58000      0.3415000      0.3834000      0.4898000
  1 1 1      28   11   14 o    10.29000      0.2434000       9.946000 0.3509000       10.63000      0.3376000     -0.6801000      0.4869000
  1 1 1      28   11   15 o    11.72000      0.2382000       11.68000 0.3421000       11.75000      0.3315000     -0.6771000E-01  0.4763000
  1 1 1      28   11   16 o    9.082000      0.2364000       9.322000 0.3434000       8.841000      0.3248000      0.4811000      0.4727000
  1 1 1      28   11   17 o    2.541000      0.5268000       2.291000 0.7847000       2.791000      0.7032000     -0.5002000       1.054000
  1 1 1      28   11   18 o    9.433000      0.2180000       9.397000 0.3157000       9.469000      0.3008000     -0.7143000E-01  0.4361000
  1 1 1      28   11   19 f    2.186000      0.4955000       2.404000 0.7207000       1.968000      0.6801000      0.4364000      0.9909000
  1 1 1      28   11   20 o    3.888000      0.4947000       3.385000 0.8608000       4.391000      0.4879000      -1.006000      0.9895000
  1 1 1      28   11   21 o    1.330000      0.4197000       1.376000 0.6161000       1.284000      0.5700000      0.9238000E-01  0.8393000
  1 1 1      28   11   22 o    4.944000      0.2640000       4.629000 0.4037000       5.259000      0.3402000     -0.6302000      0.5279000
  1 1 1      28   11   23 o    4.812000      0.3866000       4.681000 0.5403000       4.944000      0.5532000     -0.2635000      0.7732000
  1 1 1      28   11   24 o    4.478000      0.2534000       4.207000 0.3928000       4.748000      0.3204000     -0.5414000      0.5069000
  1 1 1      28   11   25 o    2.381000      0.4042000       2.331000 0.6151000       2.432000      0.5246000     -0.1009000      0.8084000
  1 1 1      28   12    0 o    5.607000      0.3823000       5.476000 0.5621000       5.737000      0.5183000     -0.2609000      0.7646000
  1 1 1      28   12    1 o    6.068000      0.3542000       5.405000 0.5525000       6.732000      0.4432000      -1.327000      0.7083000
  1 1 1      28   12    2 o    8.709000      0.2828000       8.225000 0.4125000       9.193000      0.3869000     -0.9683000      0.5656000
  1 1 1      28   12    3 o    8.723000      0.2805000       9.029000 0.3977000       8.417000      0.3957000      0.6125000      0.5611000
  1 1 1      28   12    4 o    2.973000      0.6860000       3.573000 1.003000       2.373000      0.9358000       1.200000       1.372000
  1 1 1      28   12    5 o    6.980000      0.3058000       6.614000 0.4521000       7.347000      0.4120000     -0.7327000      0.6116000
  1 1 1      28   12    6 o    7.572000      0.2862000       7.572000 0.4157000       7.572000      0.3934000      0.3791000E-03  0.5724000
  1 1 1      28   12    7 o    6.279000      0.4585000       6.149000 0.6460000       6.409000      0.6508000     -0.2599000      0.9170000
  1 1 1      28   12    8 o    9.279000      0.2650000       9.733000 0.3803000       8.826000      0.3692000      0.9066000      0.5300000
  1 1 1      28   12    9 o    4.483000      0.4280000       4.075000 0.6780000       4.890000      0.5226000     -0.8154000      0.8560000
  1 1 1      28   12   10 o    7.705000      0.2757000       7.769000 0.3958000       7.642000      0.3838000      0.1269000      0.5514000
  1 1 1      28   12   11 o    11.19000      0.2470000       11.20000 0.3512000       11.17000      0.3475000      0.2084000E-01  0.4941000
  1 1 1      28   12   12 o    11.38000      0.2473000       11.47000 0.3594000       11.29000      0.3396000      0.1845000      0.4945000
  1 1 1      28   12   13 f    7.759000      0.2657000       7.798000 0.3833000       7.721000      0.3680000      0.7776000E-01  0.5314000
  1 1 1      28   12   14 o    3.169000      0.4956000       4.102000 0.6107000       2.235000      0.7809000       1.866000      0.9913000
  1 1 1      28   12   15 o    12.66000      0.2411000       12.72000 0.3468000       12.60000      0.3350000      0.1239000      0.4822000
  1 1 1      28   12   16 o    2.556000      0.5365000       2.239000 0.8130000       2.872000      0.7002000     -0.6323000       1.073000
  1 1 1      28   12   17 o    1.883000      0.5157000       1.840000 0.7433000       1.926000      0.7151000     -0.8578000E-01   1.031000
  1 1 1      28   12   18 o    7.856000      0.2248000       8.154000 0.3275000       7.558000      0.3080000      0.5963000      0.4495000
  1 1 1      28   12   19 o    4.411000      0.3183000       4.098000 0.5051000       4.723000      0.3874000     -0.6242000      0.6366000
  1 1 1      28   12   20 o    3.865000      0.4876000       3.540000 0.8484000       4.189000      0.4806000     -0.6489000      0.9751000
  1 1 1      28   12   21 o    3.308000      0.8373000       3.308000 0.8373000                  ?              ?              ?              ?
  1 1 1      28   12   22 o    8.414000      0.2023000       8.487000 0.2933000       8.340000      0.2788000      0.1468000      0.4047000
  1 1 1      28   12   23 o    5.240000      0.2962000                  ?       ?   5.240000      0.2962000                  ?              ?
  1 1 1      28   12   24 o    2.626000      0.5628000       2.389000 0.8166000       2.862000      0.7746000     -0.4728000       1.126000
  1 1 1      28   12   25 o    2.206000      0.4489000       2.304000 0.6624000       2.107000      0.6061000      0.1965000      0.8979000
  1 1 1      28   13    0 o    4.367000      0.4785000       5.111000 0.6022000       3.624000      0.7438000       1.487000      0.9570000
  1 1 1      28   13    1 o    4.286000      0.4793000       4.818000 0.6048000       3.755000      0.7439000       1.063000      0.9587000
  1 1 1      28   13    2 o    3.155000      0.5950000       3.140000 0.8807000       3.169000      0.8002000     -0.2820000E-01   1.190000
  1 1 1      28   13    3 o    1.796000      0.5488000       1.775000 0.7745000       1.817000      0.7777000     -0.4197000E-01   1.098000
  1 1 1      28   13    4 o    4.869000      0.5457000       4.718000 0.8276000       5.020000      0.7115000     -0.3011000       1.091000
  1 1 1      28   13    5 o    1.489000      0.4837000       1.350000 0.6437000       1.627000      0.7222000     -0.2771000      0.9674000
  1 1 1      28   13    6 f    5.807000      0.3423000       6.352000 0.4622000       5.262000      0.5051000       1.090000      0.6847000
  1 1 1      28   13    7 o    5.139000      0.5537000       4.600000 0.8440000       5.678000      0.7170000      -1.078000       1.107000
  1 1 1      28   13    8 o    3.401000      0.6887000       2.880000 0.9817000       3.921000      0.9660000      -1.041000       1.377000
  1 1 1      28   13    9 o    9.558000      0.2603000       9.685000 0.3760000       9.430000      0.3601000      0.2551000      0.5206000
  1 1 1      28   13   10 o    6.163000      0.3206000       6.233000 0.4649000       6.093000      0.4415000      0.1400000      0.6412000
  1 1 1      28   13   11 o    14.22000      0.2601000       13.90000 0.3718000       14.54000      0.3639000     -0.6395000      0.5202000
  1 1 1      28   13   12 f    10.76000      0.2464000       10.81000 0.3613000       10.70000      0.3351000      0.1031000      0.4928000
  1 1 1      28   13   13 o    3.907000      0.4682000       3.392000 0.7679000       4.421000      0.5359000      -1.030000      0.9364000
  1 1 1      28   13   14 o    5.177000      0.3473000       5.338000 0.5024000       5.017000      0.4796000      0.3208000      0.6946000
  1 1 1      28   13   15 o    4.952000      0.3467000       5.099000 0.5024000       4.805000      0.4780000      0.2941000      0.6934000
  1 1 1      28   13   16 o    1.809000      0.4996000       1.419000 0.6628000       2.198000      0.7477000     -0.7791000      0.9992000
  1 1 1      28   13   17 o    1.799000      0.5144000       2.125000 0.8017000       1.472000      0.6446000      0.6531000       1.029000
  1 1 1      28   13   18 o    5.333000      0.2978000       5.719000 0.4211000       4.947000      0.4211000      0.7722000      0.5955000
  1 1 1      28   13   19 o    6.385000      0.2485000       6.125000 0.3890000       6.644000      0.3094000     -0.5192000      0.4971000
  1 1 1      28   13   20 o    3.641000      0.3668000       3.421000 0.5928000       3.862000      0.4322000     -0.4409000      0.7336000
  1 1 1      28   13   21 o    4.708000      0.3261000       5.454000 0.5431000       3.962000      0.3613000       1.492000      0.6523000
  1 1 1      28   13   22 o    7.308000      0.2899000       7.487000 0.4486000       7.128000      0.3674000      0.3588000      0.5799000
  1 1 1      28   13   23 o    4.029000      0.3969000                  ?       ?   4.029000      0.3969000                  ?              ?
  1 1 1      28   13   24 o    1.486000      0.4400000       1.562000 0.6511000       1.409000      0.5921000      0.1523000      0.8801000
  1 1 1      28   13   25 o    4.910000      0.3728000       4.625000 0.5549000       5.195000      0.4981000     -0.5702000      0.7457000
  1 1 1      28   14    0 o    16.52000      0.2915000       16.96000 0.4215000       16.09000      0.4029000      0.8675000      0.5831000
  1 1 1      28   14    1 o    11.31000      0.2696000       11.17000 0.3874000       11.44000      0.3751000     -0.2712000      0.5392000
  1 1 1      28   14    2 f    7.629000      0.3077000       7.457000 0.4521000       7.800000      0.4175000     -0.3430000      0.6154000
  1 1 1      28   14    3 o    4.462000      0.4413000       4.535000 0.6352000       4.389000      0.6128000      0.1468000      0.8827000
  1 1 1      28   14    4 o    2.351000      0.6544000       2.969000 1.038000       1.733000      0.7978000       1.236000       1.309000
  1 1 1      28   14    5 o    2.416000      0.6640000       2.182000 0.9376000       2.649000      0.9405000     -0.4668000       1.328000
  1 1 1      28   14    6 o    10.63000      0.2624000       10.51000 0.3826000       10.76000      0.3592000     -0.2493000      0.5247000
  1 1 1      28   14    7 o    9.147000      0.2725000       9.472000 0.3853000       8.822000      0.3855000      0.6495000      0.5450000
  1 1 1      28   14    8 o    6.853000      0.4680000       7.358000 0.6228000       6.348000      0.6987000       1.010000      0.9360000
  1 1 1      28   14    9 o    4.960000      0.3919000       4.683000 0.6088000       5.237000      0.4935000     -0.5539000      0.7837000
  1 1 1      28   14   10 o    8.309000      0.2740000       7.864000 0.4051000       8.753000      0.3692000     -0.8890000      0.5481000
  1 1 1      28   14   11 f    2.879000      0.5826000       2.732000 0.8750000       3.026000      0.7695000     -0.2946000       1.165000
  1 1 1      28   14   12 o    2.080000      0.5669000       2.019000 0.8166000       2.140000      0.7865000     -0.1208000       1.134000
  1 1 1      28   14   13 o    3.100000      0.5226000       2.411000 0.8524000       3.789000      0.6048000      -1.377000       1.045000
  1 1 1      28   14   14 o    3.052000      0.5158000       2.388000 0.8285000       3.715000      0.6145000      -1.326000       1.032000
  1 1 1      28   14   15 o    4.722000      0.3691000       4.553000 0.5808000       4.892000      0.4554000     -0.3390000      0.7381000
  1 1 1      28   14   16 o    3.557000      0.4861000       2.713000 0.8390000       4.401000      0.4913000      -1.688000      0.9723000
  1 1 1      28   14   17 o    3.989000      0.4207000       3.885000 0.6685000       4.093000      0.5110000     -0.2076000      0.8414000
  1 1 1      28   14   18 o    5.471000      0.2876000       5.328000 0.4441000       5.613000      0.3657000     -0.2850000      0.5753000
  1 1 1      28   14   19 o    7.135000      0.2343000       7.113000 0.3544000       7.158000      0.3065000     -0.4497000E-01  0.4685000
  1 1 1      28   14   20 o    1.292000      0.4176000       1.390000 0.6310000       1.194000      0.5473000      0.1957000      0.8352000
  1 1 1      28   14   21 o    1.659000      0.4687000       1.924000 0.7185000       1.393000      0.6019000      0.5305000      0.9374000
  1 1 1      28   14   22 o    2.025000      0.4771000       1.440000 0.6373000       2.610000      0.7100000      -1.170000      0.9541000
  1 1 1      28   14   23 o    6.262000      0.2940000       5.779000 0.4868000       6.745000      0.3299000     -0.9660000      0.5880000
  1 1 1      28   14   24 o    3.953000      0.3156000       3.777000 0.4943000       4.130000      0.3926000     -0.3527000      0.6313000
  1 1 1      28   14   25 o    3.661000      0.3219000       3.679000 0.4859000       3.643000      0.4224000      0.3579000E-01  0.6439000
  1 1 1      28   15    0 o    16.53000      0.2913000       16.80000 0.4183000       16.26000      0.4054000      0.5417000      0.5825000
  1 1 1      28   15    1 o    4.590000      0.4652000       5.145000 0.6079000       4.036000      0.7045000       1.109000      0.9305000
  1 1 1      28   15    2 o    7.598000      0.3094000       7.457000 0.4525000       7.738000      0.4220000     -0.2807000      0.6188000
  1 1 1      28   15    3 o    4.981000      0.4105000       5.458000 0.5391000       4.505000      0.6193000      0.9533000      0.8210000
  1 1 1      28   15    4 o    6.706000      0.3237000       6.987000 0.4609000       6.424000      0.4545000      0.5633000      0.6473000
  1 1 1      28   15    5 o    4.633000      0.6059000       4.503000 0.9722000       4.764000      0.7233000     -0.2612000       1.212000
  1 1 1      28   15    6 o    9.842000      0.3264000       9.603000 0.5448000       10.08000      0.3598000     -0.4770000      0.6529000
  1 1 1      28   15    7 o    9.487000      0.2679000       9.482000 0.3924000       9.492000      0.3649000     -0.1010000E-01  0.5359000
  1 1 1      28   15    8 o    3.395000      0.6314000       4.802000 0.8789000       1.988000      0.9068000       2.814000       1.263000
  1 1 1      28   15    9 o    9.707000      0.3904000       9.057000 0.5464000       10.36000      0.5577000      -1.301000      0.7807000
  1 1 1      28   15   10 o    10.41000      0.2601000       10.60000 0.3763000       10.22000      0.3592000      0.3756000      0.5202000
  1 1 1      28   15   11 o    5.792000      0.3444000       6.109000 0.4854000       5.474000      0.4886000      0.6348000      0.6887000
  1 1 1      28   15   12 o    1.897000      0.5478000       1.877000 0.7933000       1.917000      0.7558000     -0.4016000E-01   1.096000
  1 1 1      28   15   13 o    2.358000      0.5603000       2.907000 0.8374000       1.809000      0.7446000       1.098000       1.121000
  1 1 1      28   15   14 o    3.597000      0.4857000       3.556000 0.7323000       3.637000      0.6383000     -0.8078000E-01  0.9715000
  1 1 1      28   15   15 o    6.212000      0.2990000       6.109000 0.4559000       6.316000      0.3869000     -0.2068000      0.5980000
  1 1 1      28   15   16 o    4.243000      0.3939000       4.721000 0.5464000       3.764000      0.5676000      0.9570000      0.7879000
  1 1 1      28   15   17 o    7.085000      0.2598000       6.744000 0.4051000       7.426000      0.3254000     -0.6821000      0.5196000
  1 1 1      28   15   18 o    3.446000      0.4507000       3.924000 0.6509000       2.968000      0.6237000      0.9566000      0.9015000
  1 1 1      28   15   19 o    1.472000      0.4617000       1.498000 0.6734000       1.445000      0.6318000      0.5286000E-01  0.9234000
  1 1 1      28   15   20 o    2.169000      0.5069000       2.589000 0.7692000       1.749000      0.6603000      0.8398000       1.014000
  1 1 1      28   15   21 o    3.662000      0.3867000       3.817000 0.5620000       3.508000      0.5314000      0.3098000      0.7734000
  1 1 1      28   15   22 o    2.435000      0.4476000       3.196000 0.5938000       1.675000      0.6700000       1.521000      0.8952000
  1 1 1      28   15   23 o    2.994000      0.4264000       2.422000 0.7064000       3.566000      0.4777000      -1.144000      0.8528000
  1 1 1      28   15   24 f    2.315000      0.5235000       1.798000 0.7844000       2.831000      0.6936000      -1.033000       1.047000
  1 1 1      28   15   25 f    2.403000      0.5625000       2.874000 0.8398000       1.932000      0.7487000      0.9426000       1.125000
  1 1 1      28   16    0 o    7.415000      0.3253000       7.729000 0.4612000       7.102000      0.4589000      0.6264000      0.6506000
  1 1 1      28   16    1 o    8.639000      0.2959000       8.688000 0.4313000       8.589000      0.4053000      0.9870000E-01  0.5919000
  1 1 1      28   16    2 o    16.41000      0.2883000       16.36000 0.4112000       16.46000      0.4042000     -0.9561000E-01  0.5766000
  1 1 1      28   16    3 o    10.16000      0.2738000       10.73000 0.3920000       9.580000      0.3824000       1.154000      0.5476000
  1 1 1      28   16    4 o    2.598000      0.6122000       2.686000 0.8868000       2.509000      0.8444000      0.1769000       1.224000
  1 1 1      28   16    5 o    5.319000      0.3783000       5.437000 0.5607000       5.201000      0.5079000      0.2356000      0.7566000
  1 1 1      28   16    6 o    8.400000      0.3994000       8.195000 0.6215000       8.605000      0.5018000     -0.4104000      0.7988000
  1 1 1      28   16    7 o    4.616000      0.4307000       4.597000 0.6565000       4.635000      0.5575000     -0.3765000E-01  0.8613000
  1 1 1      28   16    8 o    3.116000      0.5673000       2.567000 0.8865000       3.664000      0.7082000      -1.097000       1.135000
  1 1 1      28   16    9 f    7.046000      0.4847000       6.362000 0.7072000       7.729000      0.6630000      -1.367000      0.9694000
  1 1 1      28   16   10 o    10.22000      0.4025000       10.31000 0.5426000       10.14000      0.5945000      0.1741000      0.8049000
  1 1 1      28   16   11 o    3.890000      0.4711000       4.245000 0.6555000       3.535000      0.6769000      0.7096000      0.9423000
  1 1 1      28   16   12 o    7.666000      0.2757000       7.838000 0.3965000       7.493000      0.3831000      0.3449000      0.5513000
  1 1 1      28   16   13 o    5.727000      0.3298000       6.241000 0.4667000       5.212000      0.4660000       1.029000      0.6595000
  1 1 1      28   16   14 o    3.714000      0.4630000       4.039000 0.6643000       3.389000      0.6450000      0.6500000      0.9259000
  1 1 1      28   16   15 o    5.627000      0.3192000       6.357000 0.4413000       4.897000      0.4612000       1.460000      0.6383000
  1 1 1      28   16   16 o    4.910000      0.3402000       4.699000 0.5342000       5.121000      0.4215000     -0.4221000      0.6805000
  1 1 1      28   16   17 o    8.182000      0.2445000       8.020000 0.3687000       8.345000      0.3213000     -0.3254000      0.4891000
  1 1 1      28   16   18 o    3.428000      0.4559000       3.301000 0.7413000       3.555000      0.5309000     -0.2539000      0.9118000
  1 1 1      28   16   19 o    7.349000      0.2417000       7.547000 0.3622000       7.152000      0.3203000      0.3949000      0.4835000
  1 1 1      28   16   20 o    4.343000      0.3316000       4.447000 0.4836000       4.239000      0.4538000      0.2079000      0.6632000
  1 1 1      28   16   21 o    6.309000      0.2686000       5.869000 0.3786000       6.749000      0.3810000     -0.8796000      0.5371000
  1 1 1      28   16   22 o    4.372000      0.3264000       4.322000 0.4577000       4.421000      0.4655000     -0.9832000E-01  0.6528000
  1 1 1      28   16   23 o    1.331000      0.4291000       1.301000 0.6025000       1.360000      0.6113000     -0.5900000E-01  0.8583000
  1 1 1      28   16   24 o    1.414000      0.4356000       1.244000 0.5829000       1.585000      0.6475000     -0.3409000      0.8712000
  1 1 1      28   16   25 o    1.671000      0.7506000                  ?       ?   1.671000      0.7506000                  ?              ?
  1 1 1      28   17    0 o    10.34000      0.2858000       10.22000 0.4218000       10.45000      0.3857000     -0.2335000      0.5716000
  1 1 1      28   17    1 o    10.51000      0.2861000       10.09000 0.4227000       10.94000      0.3857000     -0.8503000      0.5722000
  1 1 1      28   17    2 o    10.86000      0.2758000       10.87000 0.3963000       10.85000      0.3838000      0.2015000E-01  0.5517000
  1 1 1      28   17    3 o    5.736000      0.3800000       5.993000 0.5243000       5.479000      0.5502000      0.5144000      0.7600000
  1 1 1      28   17    4 o    7.582000      0.3065000       7.304000 0.4618000       7.860000      0.4032000     -0.5557000      0.6130000
  1 1 1      28   17    5 o    4.510000      0.4576000       4.529000 0.6754000       4.490000      0.6177000      0.3883000E-01  0.9153000
  1 1 1      28   17    6 o    5.393000      0.5471000       4.791000 0.8988000       5.994000      0.6240000      -1.203000       1.094000
  1 1 1      28   17    7 o    7.376000      0.4223000       6.923000 0.6853000       7.829000      0.4938000     -0.9060000      0.8447000
  1 1 1      28   17    8 o    5.523000      0.3807000       5.282000 0.5854000       5.765000      0.4868000     -0.4828000      0.7613000
  1 1 1      28   17    9 o    2.538000      0.5677000       1.982000 0.8317000       3.095000      0.7730000      -1.112000       1.135000
  1 1 1      28   17   10 o    6.533000      0.5122000       7.096000 0.6310000       5.970000      0.8071000       1.126000       1.024000
  1 1 1      28   17   11 o    3.069000      0.7251000       3.526000 1.015000       2.612000       1.035000      0.9145000       1.450000
  1 1 1      28   17   12 o    10.26000      0.2514000       10.20000 0.3678000       10.32000      0.3428000     -0.1275000      0.5028000
  1 1 1      28   17   13 o    3.767000      0.4715000       3.943000 0.7024000       3.592000      0.6293000      0.3516000      0.9431000
  1 1 1      28   17   14 o    1.741000      0.5262000       1.780000 0.7715000       1.702000      0.7159000      0.7773000E-01   1.052000
  1 1 1      28   17   15 o    3.209000      0.5012000       3.684000 0.6959000       2.733000      0.7216000      0.9514000       1.002000
  1 1 1      28   17   16 o    4.865000      0.3545000       4.805000 0.5512000       4.925000      0.4459000     -0.1206000      0.7089000
  1 1 1      28   17   17 o    3.223000      0.4884000       2.885000 0.7854000       3.561000      0.5809000     -0.6760000      0.9769000
  1 1 1      28   17   18 o    5.308000      0.3245000       4.723000 0.5362000       5.893000      0.3657000      -1.171000      0.6490000
  1 1 1      28   17   19 o    8.340000      0.2578000       8.079000 0.3598000       8.602000      0.3692000     -0.5233000      0.5155000
  1 1 1      28   17   20 o    2.397000      0.4822000       1.713000 0.7351000       3.080000      0.6242000      -1.367000      0.9643000
  1 1 1      28   17   21 o    2.535000      0.4987000       2.189000 0.7642000       2.880000      0.6411000     -0.6902000      0.9975000
  1 1 1      28   17   22 o    2.845000      0.7317000       2.845000 0.7317000                  ?              ?              ?              ?
  1 1 1      28   17   23 o    4.468000      0.3211000       4.744000 0.4329000       4.192000      0.4744000      0.5521000      0.6422000
  1 1 1      28   17   24 f    1.985000      0.7121000                  ?       ?   1.985000      0.7121000                  ?              ?
  1 1 1      28   18    0 o    7.852000      0.3173000       7.580000 0.4702000       8.124000      0.4261000     -0.5443000      0.6346000
  1 1 1      28   18    1 o    10.53000      0.2809000       10.28000 0.4177000       10.77000      0.3755000     -0.4903000      0.5617000
  1 1 1      28   18    2 o    7.817000      0.3162000       7.700000 0.4680000       7.933000      0.4255000     -0.2323000      0.6325000
  1 1 1      28   18    3 o    4.574000      0.4538000       5.136000 0.5888000       4.012000      0.6906000       1.124000      0.9075000
  1 1 1      28   18    4 o    4.352000      0.4693000       4.489000 0.6538000       4.215000      0.6733000      0.2736000      0.9386000
  1 1 1      28   18    5 o    3.969000      0.5258000       3.931000 0.8003000       4.007000      0.6823000     -0.7585000E-01   1.052000
  1 1 1      28   18    6 o    8.812000      0.2837000       8.955000 0.4122000       8.670000      0.3898000      0.2841000      0.5673000
  1 1 1      28   18    7 o    7.671000      0.4119000       7.967000 0.6328000       7.374000      0.5274000      0.5937000      0.8238000
  1 1 1      28   18    8 o    7.851000      0.3919000       8.076000 0.6079000       7.627000      0.4946000      0.4493000      0.7837000
  1 1 1      28   18    9 o    4.064000      0.4834000       4.104000 0.7039000       4.024000      0.6627000      0.7956000E-01  0.9668000
  1 1 1      28   18   10 o    4.025000      0.4844000       3.701000 0.7789000       4.350000      0.5761000     -0.6485000      0.9688000
  1 1 1      28   18   11 o    4.987000      0.6250000       4.346000 0.9564000       5.629000      0.8048000      -1.283000       1.250000
  1 1 1      28   18   12 o    4.516000      0.6942000       3.579000 1.053000       5.454000      0.9047000      -1.875000       1.388000
  1 1 1      28   18   13 o    5.523000      0.3448000       5.655000 0.5267000       5.391000      0.4450000      0.2642000      0.6895000
  1 1 1      28   18   14 o    5.456000      0.3503000       4.880000 0.5745000       6.031000      0.4010000      -1.151000      0.7006000
  1 1 1      28   18   15 o    3.908000      0.4408000       4.081000 0.6739000       3.735000      0.5684000      0.3453000      0.8816000
  1 1 1      28   18   16 o    4.168000      0.4097000       3.874000 0.6574000       4.462000      0.4890000     -0.5873000      0.8194000
  1 1 1      28   18   17 o    2.632000      0.5156000       2.074000 0.7979000       3.190000      0.6531000      -1.116000       1.031000
  1 1 1      28   18   18 o    4.522000      0.3648000       4.441000 0.5570000       4.603000      0.4713000     -0.1618000      0.7297000
  1 1 1      28   18   19 o    7.273000      0.2585000       7.033000 0.3799000       7.512000      0.3507000     -0.4790000      0.5171000
  1 1 1      28   18   20 o    3.985000      0.3990000       4.056000 0.5925000       3.914000      0.5345000      0.1426000      0.7979000
  1 1 1      28   18   21 o    2.341000      0.5482000       2.361000 0.8148000       2.320000      0.7336000      0.4122000E-01   1.096000
  1 1 1      28   18   22 o    2.564000      0.5206000       3.111000 0.6880000       2.017000      0.7815000       1.094000       1.041000
  1 1 1      28   18   23 o    2.512000      0.5182000       2.695000 0.7291000       2.328000      0.7365000      0.3669000       1.036000
  1 1 1      28   18   24 f    1.794000      0.7368000                  ?       ?   1.794000      0.7368000                  ?              ?
  1 1 1      28   19    0 o    2.329000      0.6230000       2.643000 0.9208000       2.015000      0.8395000      0.6280000       1.246000
  1 1 1      28   19    1 o    10.12000      0.2941000       10.20000 0.4275000       10.04000      0.4040000      0.1604000      0.5882000
  1 1 1      28   19    2 o    3.188000      0.6153000       2.914000 0.9452000       3.462000      0.7880000     -0.5472000       1.231000
  1 1 1      28   19    3 o    2.342000      0.5920000       1.805000 0.7994000       2.879000      0.8735000      -1.074000       1.184000
  1 1 1      28   19    4 o    11.18000      0.2759000       11.32000 0.3908000       11.05000      0.3897000      0.2702000      0.5519000
  1 1 1      28   19    5 o    2.767000      0.6171000       3.085000 0.9086000       2.450000      0.8353000      0.6342000       1.234000
  1 1 1      28   19    6 o    6.925000      0.3351000       6.500000 0.5153000       7.350000      0.4284000     -0.8501000      0.6702000
  1 1 1      28   19    7 f    2.782000      0.6210000       2.808000 0.8971000       2.755000      0.8589000      0.5249000E-01   1.242000
  1 1 1      28   19    8 o    6.511000      0.3366000       6.573000 0.5057000       6.450000      0.4443000      0.1224000      0.6731000
  1 1 1      28   19    9 o    3.134000      0.6957000       3.104000 1.073000       3.164000      0.8854000     -0.6079000E-01   1.391000
  1 1 1      28   19   10 o    2.771000      0.5624000       2.464000 0.8367000       3.079000      0.7518000     -0.6146000       1.125000
  1 1 1      28   19   11 o    2.511000      0.5982000       2.780000 0.9058000       2.243000      0.7815000      0.5369000       1.196000
  1 1 1      28   19   12 o    2.011000      0.5669000       2.038000 0.8359000       1.984000      0.7660000      0.5362000E-01   1.134000
  1 1 1      28   19   13 o    4.021000      0.7283000       4.205000 0.9840000       3.837000       1.074000      0.3682000       1.457000
  1 1 1      28   19   14 o    5.009000      0.6582000       5.867000 0.7342000       4.151000       1.093000       1.716000       1.316000
  1 1 1      28   19   15 o    1.624000      0.5074000       1.650000 0.7388000       1.598000      0.6957000      0.5285000E-01   1.015000
  1 1 1      28   19   16 o    4.076000      0.4251000       4.488000 0.6020000       3.665000      0.6003000      0.8226000      0.8502000
  1 1 1      28   19   17 o    2.625000      0.5514000       2.933000 0.8122000       2.317000      0.7461000      0.6155000       1.103000
  1 1 1      28   19   18 o    6.311000      0.2933000       5.884000 0.4502000       6.738000      0.3761000     -0.8535000      0.5866000
  1 1 1      28   19   19 o    6.515000      0.2744000       6.564000 0.3941000       6.466000      0.3820000      0.9837000E-01  0.5489000
  1 1 1      28   19   20 o    3.041000      0.5258000       3.268000 0.7411000       2.815000      0.7460000      0.4531000       1.052000
  1 1 1      28   19   21 o    1.892000      0.5235000       2.180000 0.7912000       1.604000      0.6857000      0.5762000       1.047000
  1 1 1      28   19   22 o    1.880000      0.5266000       2.197000 0.7937000       1.562000      0.6922000      0.6351000       1.053000
  1 1 1      28   19   23 o    2.591000      0.5385000       3.114000 0.7604000       2.067000      0.7628000       1.048000       1.077000
  1 1 1      28   19   24 o    2.120000      0.5222000       1.707000 0.6964000       2.532000      0.7782000     -0.8248000       1.044000
  1 1 1      28   20    0 o    4.868000      0.4720000       5.169000 0.6499000       4.566000      0.6846000      0.6027000      0.9439000
  1 1 1      28   20    1 o    8.450000      0.3122000       8.720000 0.4370000       8.180000      0.4458000      0.5401000      0.6243000
  1 1 1      28   20    2 o    4.890000      0.4696000       5.621000 0.5781000       4.160000      0.7403000       1.461000      0.9392000
  1 1 1      28   20    3 o    5.578000      0.4151000       5.292000 0.6582000       5.864000      0.5060000     -0.5729000      0.8303000
  1 1 1      28   20    4 o    8.432000      0.3021000       8.521000 0.4423000       8.343000      0.4115000      0.1781000      0.6041000
  1 1 1      28   20    5 o    8.291000      0.3037000       8.288000 0.4443000       8.293000      0.4142000     -0.4324000E-02  0.6074000
  1 1 1      28   20    6 o    3.689000      0.5473000       4.058000 0.7636000       3.319000      0.7843000      0.7389000       1.095000
  1 1 1      28   20    7 o    2.076000      0.5900000       2.103000 0.8619000       2.049000      0.8059000      0.5475000E-01   1.180000
  1 1 1      28   20    8 o    4.342000      0.4761000       5.284000 0.5975000       3.400000      0.7414000       1.884000      0.9522000
  1 1 1      28   20    9 f    3.159000      0.5569000       2.516000 0.8933000       3.802000      0.6653000      -1.286000       1.114000
  1 1 1      28   20   10 o    2.249000      0.6391000       2.381000 0.9975000       2.117000      0.7991000      0.2645000       1.278000
  1 1 1      28   20   11 o    3.500000      0.6271000       3.220000 1.046000       3.780000      0.6926000     -0.5597000       1.254000
  1 1 1      28   20   12 o    4.838000      0.4019000       4.738000 0.6399000       4.938000      0.4864000     -0.2002000      0.8038000
  1 1 1      28   20   13 o    2.628000      0.5928000       2.648000 0.8953000       2.609000      0.7774000      0.3916000E-01   1.186000
  1 1 1      28   20   14 o    7.163000      0.3883000       7.109000 0.6918000       7.217000      0.3528000     -0.1086000      0.7766000
  1 1 1      28   20   15 o    2.241000      0.6903000       2.271000 0.9594000       2.210000      0.9928000      0.6087000E-01   1.381000
  1 1 1      28   20   16 o    5.630000      0.5855000       5.806000 0.7235000       5.453000      0.9208000      0.3525000       1.171000
  1 1 1      28   20   17 o    2.883000      0.5113000       2.185000 0.8231000       3.580000      0.6069000      -1.395000       1.023000
  1 1 1      28   20   18 o    6.009000      0.2882000       5.802000 0.4404000       6.217000      0.3720000     -0.4146000      0.5765000
  1 1 1      28   20   19 o    4.024000      0.4205000       4.480000 0.5813000       3.569000      0.6077000      0.9108000      0.8410000
  1 1 1      28   20   20 o    3.650000      0.4681000       3.258000 0.7539000       4.042000      0.5551000     -0.7848000      0.9363000
  1 1 1      28   20   21 o    1.965000      0.5419000       2.221000 0.8045000       1.709000      0.7261000      0.5119000       1.084000
  1 1 1      28   20   22 o    4.051000      0.4371000       3.726000 0.6909000       4.375000      0.5356000     -0.6490000      0.8742000
  1 1 1      28   20   23 o    2.976000      0.5045000       4.029000 0.6415000       1.923000      0.7789000       2.106000       1.009000
  1 1 1      28   21    0 o    3.439000      0.6107000       4.196000 0.8030000       2.681000      0.9202000       1.515000       1.221000
  1 1 1      28   21    1 o    4.231000      0.5173000       4.503000 0.7481000       3.960000      0.7147000      0.5436000       1.035000
  1 1 1      28   21    2 o    4.105000      0.5720000       4.096000 0.8800000       4.114000      0.7310000     -0.1826000E-01   1.144000
  1 1 1      28   21    3 o    2.591000      0.6275000       2.556000 0.9183000       2.626000      0.8553000     -0.7034000E-01   1.255000
  1 1 1      28   21    4 o    2.278000      0.5901000       1.795000 0.8085000       2.762000      0.8599000     -0.9673000       1.180000
  1 1 1      28   21    5 o    9.626000      0.2835000       9.790000 0.4175000       9.462000      0.3835000      0.3277000      0.5669000
  1 1 1      28   21    6 o    10.41000      0.2804000       10.30000 0.4098000       10.53000      0.3828000     -0.2316000      0.5608000
  1 1 1      28   21    7 f    4.496000      0.4700000       4.403000 0.7379000       4.589000      0.5823000     -0.1862000      0.9400000
  1 1 1      28   21    8 o    2.484000      0.6061000       2.752000 0.9023000       2.215000      0.8095000      0.5365000       1.212000
  1 1 1      28   21    9 o    2.376000      0.5801000       2.091000 0.8468000       2.661000      0.7931000     -0.5705000       1.160000
  1 1 1      28   21   10 f    3.923000      0.5043000       3.938000 0.7775000       3.908000      0.6425000      0.3061000E-01   1.009000
  1 1 1      28   21   11 o    2.520000      0.5839000       2.333000 0.8712000       2.707000      0.7778000     -0.3736000       1.168000
  1 1 1      28   21   12 o    2.470000      0.6581000       3.030000 1.048000       1.910000      0.7959000       1.120000       1.316000
  1 1 1      28   21   13 o    1.897000      0.5903000       1.977000 0.8898000       1.817000      0.7759000      0.1602000       1.181000
  1 1 1      28   21   14 o    12.72000      0.2538000       12.85000 0.3641000       12.60000      0.3536000      0.2459000      0.5075000
  1 1 1      28   21   15 f    2.108000      0.5674000       2.107000 0.8315000       2.110000      0.7723000     -0.3112000E-02   1.135000
  1 1 1      28   21   16 o    3.327000      0.4944000       2.829000 0.8096000       3.825000      0.5676000     -0.9960000      0.9887000
  1 1 1      28   21   17 o    2.946000      0.7107000       3.587000 1.012000       2.306000      0.9980000       1.281000       1.421000
  1 1 1      28   21   18 o    3.340000      0.7479000       3.361000 1.020000       3.318000       1.094000      0.4297000E-01   1.496000
  1 1 1      28   21   19 o    2.571000      0.6678000       2.395000 0.8455000       2.747000       1.034000     -0.3512000       1.336000
  1 1 1      28   21   20 o    2.100000      0.5666000       2.231000 0.8343000       1.969000      0.7667000      0.2625000       1.133000
  1 1 1      28   21   21 o    4.847000      0.3847000       5.242000 0.5154000       4.452000      0.5714000      0.7906000      0.7695000
  1 1 1      28   21   22 o    4.203000      0.4353000       4.135000 0.6512000       4.271000      0.5779000     -0.1357000      0.8706000
  1 1 1      28   21   23 o    1.689000      0.5189000       2.021000 0.8146000       1.358000      0.6430000      0.6631000       1.038000
  1 1 1      28   22    0 o    2.183000      0.6185000       1.968000 0.8510000       2.397000      0.8978000     -0.4290000       1.237000
  1 1 1      28   22    1 o    3.852000      0.5709000       3.295000 0.9115000       4.409000      0.6878000      -1.114000       1.142000
  1 1 1      28   22    2 o    6.759000      0.3632000       6.485000 0.5499000       7.033000      0.4746000     -0.5479000      0.7264000
  1 1 1      28   22    3 o    6.174000      0.3770000       6.569000 0.5473000       5.779000      0.5187000      0.7899000      0.7540000
  1 1 1      28   22    4 o    3.102000      0.5941000       3.765000 0.8544000       2.440000      0.8258000       1.326000       1.188000
  1 1 1      28   22    5 o    5.032000      0.4368000       5.187000 0.6529000       4.876000      0.5806000      0.3105000      0.8737000
  1 1 1      28   22    6 o    10.47000      0.2798000       10.20000 0.4187000       10.74000      0.3713000     -0.5380000      0.5596000
  1 1 1      28   22    7 o    4.105000      0.4983000       3.957000 0.8054000       4.253000      0.5871000     -0.2958000      0.9967000
  1 1 1      28   22    8 o    6.259000      0.3373000       6.104000 0.5195000       6.414000      0.4304000     -0.3101000      0.6746000
  1 1 1      28   22    9 o    4.256000      0.4594000       4.479000 0.6712000       4.033000      0.6274000      0.4464000      0.9188000
  1 1 1      28   22   10 o    5.468000      0.3692000       5.840000 0.5216000       5.095000      0.5226000      0.7445000      0.7384000
  1 1 1      28   22   11 o    1.864000      0.5440000       2.377000 0.8845000       1.351000      0.6336000       1.026000       1.088000
  1 1 1      28   22   12 o    2.720000      0.5922000       2.594000 0.8868000       2.847000      0.7851000     -0.2529000       1.184000
  1 1 1      28   22   13 o    6.149000      0.3333000       6.015000 0.5006000       6.282000      0.4402000     -0.2673000      0.6666000
  1 1 1      28   22   14 o    7.855000      0.3555000       7.444000 0.5693000       8.266000      0.4259000     -0.8219000      0.7110000
  1 1 1      28   22   15 f    3.011000      0.6180000       2.606000 1.003000       3.416000      0.7222000     -0.8096000       1.236000
  1 1 1      28   22   16 o    4.233000      0.4185000       4.083000 0.6481000       4.382000      0.5297000     -0.2992000      0.8370000
  1 1 1      28   22   17 o    3.543000      0.4792000       3.689000 0.7091000       3.396000      0.6447000      0.2922000      0.9584000
  1 1 1      28   22   18 o    5.934000      0.3307000       5.414000 0.5071000       6.453000      0.4245000      -1.039000      0.6613000
  1 1 1      28   22   19 o    3.842000      0.5553000       3.447000 0.9870000       4.237000      0.5094000     -0.7897000       1.111000
  1 1 1      28   22   20 o    2.367000      0.6921000       2.411000 0.9800000       2.323000      0.9775000      0.8770000E-01   1.384000
  1 1 1      28   22   21 o    2.528000      0.7041000       2.634000 1.006000       2.423000      0.9852000      0.2108000       1.408000
  1 1 1      28   22   22 f    2.755000      0.7312000       2.630000 1.019000       2.881000       1.049000     -0.2507000       1.462000
  1 1 1      28   23    0 o    2.949000      0.6606000       2.792000 0.9676000       3.107000      0.8998000     -0.3148000       1.321000
  1 1 1      28   23    1 o    4.135000      0.5693000       3.931000 0.8895000       4.339000      0.7107000     -0.4077000       1.139000
  1 1 1      28   23    2 o    9.856000      0.3047000       10.32000 0.4353000       9.395000      0.4265000      0.9211000      0.6094000
  1 1 1      28   23    3 o    9.605000      0.2984000       9.764000 0.4393000       9.447000      0.4041000      0.3166000      0.5968000
  1 1 1      28   23    4 o    4.345000      0.5220000       4.833000 0.7167000       3.858000      0.7591000      0.9749000       1.044000
  1 1 1      28   23    5 o    2.741000      0.6279000       2.421000 0.9251000       3.062000      0.8493000     -0.6412000       1.256000
  1 1 1      28   23    6 o    6.144000      0.3540000       6.142000 0.5365000       6.146000      0.4621000     -0.4064000E-02  0.7081000
  1 1 1      28   23    7 o    2.251000      0.6095000       2.335000 0.9089000       2.166000      0.8122000      0.1691000       1.219000
  1 1 1      28   23    8 o    6.198000      0.3480000       5.832000 0.5467000       6.564000      0.4306000     -0.7317000      0.6959000
  1 1 1      28   23    9 f    1.989000      0.5723000       1.770000 0.7925000       2.208000      0.8257000     -0.4379000       1.145000
  1 1 1      28   23   10 o    6.571000      0.3284000       6.223000 0.4989000       6.919000      0.4273000     -0.6958000      0.6568000
  1 1 1      28   23   11 f    1.572000      0.5032000       1.515000 0.7144000       1.630000      0.7090000     -0.1154000       1.006000
  1 1 1      28   23   12 o    4.755000      0.4179000       4.583000 0.6528000       4.927000      0.5219000     -0.3435000      0.8358000
  1 1 1      28   23   13 o    3.860000      0.4819000       3.882000 0.7079000       3.838000      0.6540000      0.4352000E-01  0.9638000
  1 1 1      28   23   14 o    4.467000      0.4169000       4.455000 0.6472000       4.479000      0.5256000     -0.2441000E-01  0.8338000
  1 1 1      28   23   15 o    4.108000      0.4579000       3.717000 0.7460000       4.498000      0.5310000     -0.7808000      0.9157000
  1 1 1      28   23   16 o    3.022000      0.6576000       3.366000 0.9941000       2.677000      0.8611000      0.6893000       1.315000
  1 1 1      28   23   17 o    1.578000      0.5303000       1.630000 0.7796000       1.526000      0.7189000      0.1038000       1.061000
  1 1 1      28   23   18 o    2.564000      0.6731000       2.526000 0.9935000       2.603000      0.9083000     -0.7717000E-01   1.346000
  1 1 1      28   23   19 o    4.481000      0.4277000       3.931000 0.6964000       5.031000      0.4967000      -1.100000      0.8554000
  1 1 1      28   23   20 o    4.061000      0.4895000       3.604000 0.7932000       4.517000      0.5740000     -0.9130000      0.9790000
  1 1 1      28   23   21 o    2.035000      0.5770000       2.202000 0.8484000       1.867000      0.7822000      0.3353000       1.154000
  1 1 1      28   23   22 o    2.993000      0.6078000       3.210000 0.8575000       2.776000      0.8615000      0.4336000       1.216000
  1 1 1      28   24    0 o    7.856000      0.3426000       7.857000 0.5053000       7.855000      0.4628000      0.2026000E-02  0.6852000
  1 1 1      28   24    1 o    3.972000      0.5866000       4.025000 0.8577000       3.920000      0.8005000      0.1045000       1.173000
  1 1 1      28   24    2 o    7.777000      0.3477000       7.354000 0.5148000       8.200000      0.4675000     -0.8463000      0.6954000
  1 1 1      28   24    3 o    3.698000      0.5824000       4.620000 0.7585000       2.775000      0.8839000       1.845000       1.165000
  1 1 1      28   24    4 o    6.817000      0.3604000       6.328000 0.5681000       7.306000      0.4437000     -0.9781000      0.7208000
  1 1 1      28   24    5 o    1.858000      0.5745000       1.977000 0.8594000       1.740000      0.7626000      0.2368000       1.149000
  1 1 1      28   24    6 o    2.320000      0.5618000       3.212000 0.9029000       1.428000      0.6688000       1.785000       1.124000
  1 1 1      28   24    7 o    4.387000      0.5162000       3.174000 0.9056000       5.600000      0.4955000      -2.426000       1.032000
  1 1 1      28   24    8 o    2.089000      0.5984000       2.292000 0.8992000       1.886000      0.7897000      0.4064000       1.197000
  1 1 1      28   24    9 o    4.391000      0.4730000       4.564000 0.6704000       4.217000      0.6674000      0.3474000      0.9460000
  1 1 1      28   24   10 o    2.034000      0.5812000       2.163000 0.8486000       1.905000      0.7944000      0.2581000       1.162000
  1 1 1      28   24   11 o    6.076000      0.3552000       5.389000 0.5689000       6.763000      0.4256000      -1.374000      0.7105000
  1 1 1      28   24   12 o    8.908000      0.2744000       8.911000 0.3866000       8.905000      0.3895000      0.5900000E-02  0.5488000
  1 1 1      28   24   13 o    5.650000      0.3469000       6.071000 0.4911000       5.228000      0.4902000      0.8429000      0.6939000
  1 1 1      28   24   14 o    6.451000      0.3076000       6.649000 0.4375000       6.252000      0.4326000      0.3972000      0.6152000
  1 1 1      28   24   15 o    4.480000      0.4176000       4.535000 0.6204000       4.426000      0.5591000      0.1089000      0.8352000
  1 1 1      28   24   16 o    2.159000      0.5836000       2.097000 0.8352000       2.221000      0.8154000     -0.1244000       1.167000
  1 1 1      28   24   17 o    2.709000      0.6087000       2.507000 0.8757000       2.911000      0.8457000     -0.4039000       1.217000
  1 1 1      28   24   18 o    1.590000      0.5157000       1.559000 0.7244000       1.622000      0.7341000     -0.6244000E-01   1.031000
  1 1 1      28   24   19 o    3.262000      0.6326000       3.134000 0.8470000       3.389000      0.9399000     -0.2545000       1.265000
  1 1 1      28   24   20 o    2.643000      0.6590000       2.103000 0.9435000       3.184000      0.9202000      -1.081000       1.318000
  1 1 1      28   24   21 o    4.650000      0.6095000       4.919000 0.9505000       4.381000      0.7633000      0.5379000       1.219000
  1 1 1      28   25    0 o    7.482000      0.5448000       7.420000 0.7193000       7.544000      0.8184000     -0.1241000       1.090000
  1 1 1      28   25    1 o    2.904000      0.6469000       3.558000 0.9402000       2.250000      0.8889000       1.308000       1.294000
  1 1 1      28   25    2 o    4.870000      0.4707000       4.987000 0.6911000       4.754000      0.6392000      0.2329000      0.9414000
  1 1 1      28   25    3 o    4.256000      0.5540000       3.705000 0.9322000       4.808000      0.5989000      -1.104000       1.108000
  1 1 1      28   25    4 o    4.697000      0.4676000       5.179000 0.7062000       4.215000      0.6130000      0.9640000      0.9351000
  1 1 1      28   25    5 o    4.803000      0.4461000       4.376000 0.7103000       5.230000      0.5398000     -0.8537000      0.8922000
  1 1 1      28   25    6 o    7.018000      0.3405000       7.280000 0.5043000       6.755000      0.4577000      0.5250000      0.6810000
  1 1 1      28   25    7 o    8.676000      0.3033000       8.492000 0.4483000       8.859000      0.4087000     -0.3672000      0.6067000
  1 1 1      28   25    8 o    3.752000      0.5409000       4.527000 0.6714000       2.976000      0.8484000       1.551000       1.082000
  1 1 1      28   25    9 o    4.881000      0.4410000       4.434000 0.7143000       5.328000      0.5176000     -0.8935000      0.8821000
  1 1 1      28   25   10 o    1.967000      0.5714000       1.861000 0.8178000       2.073000      0.7982000     -0.2118000       1.143000
  1 1 1      28   25   11 o    7.923000      0.3012000       7.483000 0.4576000       8.363000      0.3916000     -0.8800000      0.6023000
  1 1 1      28   25   12 o    7.265000      0.2995000       6.898000 0.4458000       7.632000      0.3999000     -0.7339000      0.5989000
  1 1 1      28   25   13 o    3.233000      0.5659000       3.189000 0.8302000       3.277000      0.7693000     -0.8836000E-01   1.132000
  1 1 1      28   25   14 o    2.306000      0.5965000       2.254000 0.8549000       2.358000      0.8321000     -0.1040000       1.193000
  1 1 1      28   25   15 o    2.849000      0.5954000       2.779000 0.8807000       2.919000      0.8013000     -0.1394000       1.191000
  1 1 1      28   25   16 o    5.073000      0.3966000       4.712000 0.5960000       5.434000      0.5232000     -0.7217000      0.7931000
  1 1 1      28   25   17 o    2.307000      0.5878000       2.764000 0.8730000       1.849000      0.7872000      0.9147000       1.176000
  1 1 1      28   25   18 o    1.997000      0.5725000       1.692000 0.7710000       2.301000      0.8465000     -0.6093000       1.145000
  1 1 1      28   25   19 o    2.137000      0.5995000       2.168000 0.8645000       2.106000      0.8309000      0.6153000E-01   1.199000
  1 1 1      28   25   20 o    1.535000      0.5075000       1.658000 0.7613000       1.413000      0.6712000      0.2449000       1.015000
  1 1 1      28   26    0 o    3.591000      0.7302000       4.146000 1.188000       3.037000      0.8488000       1.109000       1.460000
  1 1 1      28   26    1 o    2.739000      0.7903000       2.469000 1.042000       3.009000       1.189000     -0.5405000       1.581000
  1 1 1      28   26    2 o    2.336000      0.7288000       1.865000 0.8406000       2.807000       1.191000     -0.9423000       1.458000
  1 1 1      28   26    3 o    3.129000      0.6393000       3.331000 0.9242000       2.927000      0.8835000      0.4038000       1.279000
  1 1 1      28   26    4 o    5.862000      0.4144000       6.193000 0.6035000       5.531000      0.5681000      0.6621000      0.8288000
  1 1 1      28   26    5 o    3.408000      0.6171000       3.289000 0.9709000       3.527000      0.7618000     -0.2375000       1.234000
  1 1 1      28   26    6 o    6.787000      0.3538000       6.778000 0.5053000       6.797000      0.4953000     -0.1897000E-01  0.7075000
  1 1 1      28   26    7 o    4.723000      0.4732000       4.540000 0.7663000       4.906000      0.5555000     -0.3662000      0.9465000
  1 1 1      28   26    8 o    3.556000      0.5910000       3.828000 0.8563000       3.284000      0.8149000      0.5434000       1.182000
  1 1 1      28   26    9 o    4.474000      0.4700000       4.394000 0.7144000       4.555000      0.6111000     -0.1610000      0.9401000
  1 1 1      28   26   10 o    4.519000      0.4510000       4.918000 0.6084000       4.120000      0.6660000      0.7984000      0.9021000
  1 1 1      28   26   11 o    2.757000      0.5980000       3.321000 0.8639000       2.193000      0.8272000       1.128000       1.196000
  1 1 1      28   26   12 o    4.329000      0.4979000       3.616000 0.8395000       5.042000      0.5357000      -1.426000      0.9958000
  1 1 1      28   26   13 o    4.272000      0.4650000       4.075000 0.7096000       4.469000      0.6012000     -0.3947000      0.9300000
  1 1 1      28   26   14 o    2.800000      0.6150000       2.557000 0.8943000       3.044000      0.8444000     -0.4872000       1.230000
  1 1 1      28   26   15 o    3.985000      0.5187000       3.629000 0.7823000       4.341000      0.6814000     -0.7116000       1.037000
  1 1 1      28   26   16 o    3.163000      0.6079000       3.330000 0.8659000       2.996000      0.8535000      0.3340000       1.216000
  1 1 1      28   26   17 o    1.567000      0.5158000       1.680000 0.7679000       1.455000      0.6888000      0.2250000       1.032000
  1 1 1      28   26   18 f    3.662000      0.5591000       3.151000 0.8922000       4.173000      0.6742000      -1.022000       1.118000
  1 1 1      28   26   19 o    2.666000      0.6113000       3.163000 0.8851000       2.169000      0.8434000      0.9941000       1.223000
  1 1 1      28   26   20 o    1.954000      0.9205000                  ?       ?   1.954000      0.9205000                  ?              ?
  1 1 1      28   27    0 o    5.683000      0.4407000       5.923000 0.6305000       5.444000      0.6158000      0.4789000      0.8813000
  1 1 1      28   27    1 o    3.022000      0.6448000       2.536000 0.9555000       3.508000      0.8659000     -0.9713000       1.290000
  1 1 1      28   27    2 o    2.868000      0.8200000       2.487000 1.053000       3.249000       1.257000     -0.7617000       1.640000
  1 1 1      28   27    3 o    4.105000      0.8618000       4.228000 1.134000       3.981000       1.298000      0.2472000       1.724000
  1 1 1      28   27    4 o    2.589000      0.7490000       1.873000 0.8083000       3.305000       1.261000      -1.432000       1.498000
  1 1 1      28   27    5 o    2.216000      0.5947000       1.630000 0.7638000       2.802000      0.9118000      -1.172000       1.189000
  1 1 1      28   27    6 o    2.510000      0.6182000       2.047000 0.8915000       2.972000      0.8565000     -0.9259000       1.236000
  1 1 1      28   27    7 o    3.404000      0.6034000       3.496000 0.8739000       3.313000      0.8323000      0.1831000       1.207000
  1 1 1      28   27    8 o    2.844000      0.6308000       2.637000 0.9423000       3.052000      0.8387000     -0.4151000       1.262000
  1 1 1      28   27    9 o    4.194000      0.5567000       3.009000 0.9623000       5.379000      0.5603000      -2.370000       1.113000
  1 1 1      28   27   10 o    3.487000      0.5951000       3.628000 0.8640000       3.347000      0.8186000      0.2806000       1.190000
  1 1 1      28   27   11 o    2.516000      0.5625000       1.737000 0.7834000       3.295000      0.8075000      -1.557000       1.125000
  1 1 1      28   27   12 o    6.407000      0.3572000       6.025000 0.5395000       6.789000      0.4684000     -0.7642000      0.7145000
  1 1 1      28   27   13 o    3.199000      0.5986000       2.854000 0.9145000       3.545000      0.7727000     -0.6909000       1.197000
  1 1 1      28   27   14 o    2.822000      0.6175000       2.517000 0.8984000       3.127000      0.8475000     -0.6100000       1.235000
  1 1 1      28   27   15 o    2.736000      0.5973000       2.049000 0.8646000       3.423000      0.8245000      -1.375000       1.195000
  1 1 1      28   27   16 o    3.060000      0.6193000       3.473000 0.8571000       2.648000      0.8941000      0.8252000       1.239000
  1 1 1      28   27   17 o    3.160000      0.6424000       3.339000 0.9173000       2.981000      0.8997000      0.3582000       1.285000
  1 1 1      28   27   18 o    2.063000      0.6054000       2.121000 0.8782000       2.006000      0.8336000      0.1156000       1.211000
  1 1 1      28   27   19 o    3.501000       1.146000                  ?       ?   3.501000       1.146000                  ?              ?
  1 1 1      28   28    0 o    5.275000      0.6804000       5.121000 1.157000       5.428000      0.7164000     -0.3078000       1.361000
  1 1 1      28   28    1 o    2.517000      0.7426000       3.104000 1.226000       1.930000      0.8388000       1.175000       1.485000
  1 1 1      28   28    2 o    2.517000      0.5817000       1.712000 0.7962000       3.323000      0.8482000      -1.611000       1.163000
  1 1 1      28   28    3 o    2.364000      0.6513000       2.464000 0.9700000       2.264000      0.8694000      0.2001000       1.303000
  1 1 1      28   28    4 o    2.409000      0.6721000       3.026000 1.087000       1.791000      0.7901000       1.235000       1.344000
  1 1 1      28   28    5 o    3.805000      0.8302000       3.395000 1.039000       4.215000       1.295000     -0.8204000       1.660000
  1 1 1      28   28    6 o    3.177000      0.8244000       2.852000 1.079000       3.502000       1.247000     -0.6505000       1.649000
  1 1 1      28   28    7 o    2.278000      0.5984000       1.703000 0.7848000       2.853000      0.9035000      -1.150000       1.197000
  1 1 1      28   28    8 o    2.137000      0.6098000       1.983000 0.8512000       2.291000      0.8735000     -0.3081000       1.220000
  1 1 1      28   28    9 o    2.346000      0.6012000       1.999000 0.8703000       2.693000      0.8297000     -0.6937000       1.202000
  1 1 1      28   28   10 o    2.145000      0.6178000       2.216000 0.9027000       2.073000      0.8439000      0.1426000       1.236000
  1 1 1      28   28   11 f    2.147000      0.5970000       2.622000 0.9201000       1.671000      0.7609000      0.9504000       1.194000
  1 1 1      28   28   12 o    4.258000      0.5355000       3.710000 0.8537000       4.806000      0.6469000      -1.096000       1.071000
  1 1 1      28   28   13 o    1.906000      0.5779000       1.674000 0.7727000       2.138000      0.8596000     -0.4643000       1.156000
  1 1 1      28   28   14 o    1.975000      0.5962000       2.138000 0.8840000       1.812000      0.8002000      0.3256000       1.192000
  1 1 1      28   28   15 o    4.866000      0.4867000       4.360000 0.7745000       5.373000      0.5896000      -1.013000      0.9733000
  1 1 1      28   28   16 o    2.214000      0.6237000       2.550000 0.9441000       1.877000      0.8153000      0.6725000       1.247000
  1 1 1      28   28   17 o    3.741000      0.5945000       3.373000 0.9311000       4.109000      0.7394000     -0.7357000       1.189000
  1 1 1      28   28   18 o    4.559000       1.144000                  ?       ?   4.559000       1.144000                  ?              ?
  1 1 1      28   29    0 o    1.987000      0.6150000       2.538000 1.018000       1.435000      0.6907000       1.102000       1.230000
  1 1 1      28   29    1 o    2.324000      0.6504000       2.575000 0.9930000       2.073000      0.8403000      0.5021000       1.301000
  1 1 1      28   29    2 o    3.217000      0.7253000       2.745000 1.136000       3.688000      0.9015000     -0.9437000       1.451000
  1 1 1      28   29    3 o    2.693000      0.7367000       2.580000 1.086000       2.807000      0.9958000     -0.2267000       1.473000
  1 1 1      28   29    4 o    2.183000      0.6214000       1.899000 0.8480000       2.467000      0.9085000     -0.5683000       1.243000
  1 1 1      28   29    5 o    2.126000      0.6271000       2.195000 0.9265000       2.058000      0.8453000      0.1376000       1.254000
  1 1 1      28   29    6 o    1.750000      0.5628000       1.879000 0.8449000       1.621000      0.7436000      0.2584000       1.126000
  1 1 1      28   29    7 o    3.890000      0.8188000       3.852000 1.040000       3.929000       1.265000     -0.7737000E-01   1.638000
  1 1 1      28   29    8 o    2.931000      0.8235000       2.820000 1.103000       3.043000       1.223000     -0.2222000       1.647000
  1 1 1      28   29    9 o    2.714000      0.7821000       2.482000 1.043000       2.946000       1.166000     -0.4641000       1.564000
  1 1 1      28   29   10 o    2.317000      0.6383000       2.167000 0.8951000       2.468000      0.9102000     -0.3001000       1.277000
  1 1 1      28   29   11 o    2.802000      0.6019000       3.663000 0.8692000       1.941000      0.8327000       1.722000       1.204000
  1 1 1      28   29   12 o    2.927000      0.6612000       3.087000 0.9704000       2.768000      0.8984000      0.3189000       1.322000
  1 1 1      28   29   13 o    2.389000      0.6519000       2.510000 0.9451000       2.268000      0.8981000      0.2420000       1.304000
  1 1 1      28   29   14 o    3.286000      0.6321000       3.926000 0.8574000       2.645000      0.9290000       1.282000       1.264000
  1 1 1      28   29   15 o    4.240000      0.5711000       3.515000 0.9303000       4.966000      0.6626000      -1.451000       1.142000
  1 1 1      28   29   16 o    1.804000      0.5739000       1.930000 0.8515000       1.678000      0.7696000      0.2515000       1.148000
  1 1 1      28   30    0 o    2.616000      0.6854000       2.787000 1.003000       2.445000      0.9342000      0.3417000       1.371000
  1 1 1      28   30    1 o    5.729000      0.4525000       5.913000 0.6766000       5.544000      0.6010000      0.3696000      0.9049000
  1 1 1      28   30    2 o    2.355000      0.6633000       2.259000 0.9448000       2.450000      0.9312000     -0.1908000       1.327000
  1 1 1      28   30    3 f    2.863000      0.6938000       2.847000 0.9992000       2.879000      0.9628000     -0.3191000E-01   1.388000
  1 1 1      28   30    4 o    5.927000      0.6042000       5.768000 0.9882000       6.086000      0.6955000     -0.3179000       1.208000
  1 1 1      28   30    5 o    5.167000      0.7019000       4.749000 1.230000       5.584000      0.6774000     -0.8349000       1.404000
  1 1 1      28   30    6 o    3.554000      0.7836000       3.803000 1.192000       3.306000       1.017000      0.4972000       1.567000
  1 1 1      28   30    7 o    2.387000      0.6615000       2.094000 0.9086000       2.680000      0.9616000     -0.5852000       1.323000
  1 1 1      28   30    8 o    1.997000      0.6088000       2.003000 0.8739000       1.992000      0.8479000      0.1135000E-01   1.218000
  1 1 1      28   30    9 o    2.031000      0.6108000       2.098000 0.8794000       1.963000      0.8479000      0.1356000       1.222000
  1 1 1      28   30   10 o    2.823000      0.7051000       2.729000 1.097000       2.917000      0.8863000     -0.1880000       1.410000
  1 1 1      28   30   11 o    2.715000      0.7420000       3.446000 1.151000       1.984000      0.9367000       1.462000       1.484000
  1 1 1      28   30   12 o    3.110000      0.7787000       2.339000 0.9759000       3.882000       1.214000      -1.543000       1.557000
  1 1 1      28   30   13 o    3.662000      0.8379000       3.344000 1.122000       3.981000       1.245000     -0.6370000       1.676000
  1 1 1      28   30   14 o    1.984000      0.6130000       2.012000 0.8857000       1.956000      0.8478000      0.5571000E-01   1.226000
  1 1 1      28   30   15 o    2.874000      0.6324000       2.070000 0.8938000       3.679000      0.8950000      -1.610000       1.265000
  1 1 1      28   31    0 f    5.069000      0.5428000       4.398000 0.8687000       5.741000      0.6510000      -1.343000       1.086000
  1 1 1      28   31    1 o    4.554000      0.6141000       3.955000 1.011000       5.153000      0.6978000      -1.198000       1.228000
  1 1 1      28   31    2 o    2.370000      0.6735000       2.351000 0.9684000       2.389000      0.9363000     -0.3852000E-01   1.347000
  1 1 1      28   31    3 o    2.985000      0.7016000       2.686000 1.013000       3.284000      0.9709000     -0.5982000       1.403000
  1 1 1      28   31    4 o    6.176000      0.4432000       6.129000 0.6715000       6.223000      0.5786000     -0.9437000E-01  0.8864000
  1 1 1      28   31    5 o    3.547000      0.6776000       3.696000 0.9785000       3.398000      0.9376000      0.2978000       1.355000
  1 1 1      28   31    6 o    6.007000      0.4465000       5.857000 0.7001000       6.157000      0.5543000     -0.3001000      0.8929000
  1 1 1      28   31    7 o    4.170000      0.7453000       4.215000 1.147000       4.126000      0.9522000      0.8903000E-01   1.491000
  1 1 1      28   31    8 o    2.983000      0.7689000       3.647000 1.214000       2.319000      0.9433000       1.327000       1.538000
  1 1 1      28   31    9 o    1.976000      0.6468000       2.006000 0.9518000       1.946000      0.8761000      0.5992000E-01   1.294000
  1 1 1      28   31   10 o    2.152000      0.6225000       2.149000 0.8837000       2.155000      0.8769000     -0.5333000E-02   1.245000
  1 1 1      28   31   11 o    2.644000      0.6600000       2.074000 0.9046000       3.215000      0.9613000      -1.141000       1.320000
  1 1 1      28   31   12 o    3.960000      0.6312000       3.983000 0.9314000       3.937000      0.8523000      0.4639000E-01   1.262000
  1 1 1      28   31   13 o    3.364000      0.6561000       3.120000 0.9711000       3.609000      0.8825000     -0.4893000       1.312000
  1 1 1      28   32    0 o    3.553000      0.7019000       3.398000 1.071000       3.708000      0.9076000     -0.3107000       1.404000
  1 1 1      28   32    1 o    1.859000      0.6000000       1.887000 0.8643000       1.830000      0.8324000      0.5622000E-01   1.200000
  1 1 1      28   32    2 o    2.414000      0.6892000       2.732000 1.047000       2.096000      0.8966000      0.6360000       1.378000
  1 1 1      28   32    3 o    1.784000      0.5830000       2.040000 0.9111000       1.528000      0.7276000      0.5122000       1.166000
  1 1 1      28   32    4 o    3.446000      0.7045000       3.507000 1.047000       3.384000      0.9426000      0.1230000       1.409000
  1 1 1      28   32    5 f    2.632000      0.6685000       3.206000 1.009000       2.059000      0.8773000       1.147000       1.337000
  1 1 1      28   32    6 o    3.987000      0.6260000       3.975000 0.9430000       3.998000      0.8235000     -0.2241000E-01   1.252000
  1 1 1      28   32    7 o    3.081000      0.6340000       2.450000 0.9753000       3.712000      0.8103000      -1.261000       1.268000
  1 1 1      28   32    8 o    2.875000      0.6799000       2.801000 0.9697000       2.949000      0.9531000     -0.1482000       1.360000
  1 1 1      28   32    9 o    1.997000      0.5974000       1.432000 0.7069000       2.563000      0.9632000      -1.131000       1.195000
  1 1 1      28   32   10 o    1.708000      0.5655000       1.614000 0.7760000       1.802000      0.8226000     -0.1877000       1.131000
  1 1 1      28   32   11 o    3.214000      0.8164000       4.060000 1.306000       2.368000      0.9800000       1.692000       1.633000
  1 1 1      28   33    0 o    2.588000      0.7031000       3.178000 1.093000       1.998000      0.8850000       1.180000       1.406000
  1 1 1      28   33    1 o    1.938000      0.6041000       1.667000 0.7992000       2.210000      0.9062000     -0.5423000       1.208000
  1 1 1      28   33    2 f    2.060000      0.6285000       1.752000 0.8370000       2.368000      0.9379000     -0.6166000       1.257000
  1 1 1      28   33    3 o    2.231000      0.6559000       2.105000 0.9446000       2.357000      0.9102000     -0.2518000       1.312000
  1 1 1      28   33    4 o    2.458000      0.6601000       2.018000 0.9194000       2.898000      0.9475000     -0.8797000       1.320000
  1 1 1      28   33    5 o    3.439000      0.6845000       3.105000 1.052000       3.773000      0.8764000     -0.6682000       1.369000
  1 1 1      28   33    6 o    2.022000      0.6200000       1.662000 0.7867000       2.382000      0.9586000     -0.7198000       1.240000
  1 1 1      28   33    7 o    2.514000      0.6981000       2.726000 1.029000       2.302000      0.9437000      0.4236000       1.396000
  1 1 1      28   33    8 o    2.003000      0.6277000       2.083000 0.9237000       1.923000      0.8502000      0.1605000       1.255000
  1 1 1      28   33    9 o    2.425000       1.115000                  ?       ?   2.425000       1.115000                  ?              ?
  1 1 1      28   34    0 o    2.863000      0.7241000       3.506000 1.087000       2.220000      0.9570000       1.286000       1.448000
  1 1 1      28   34    1 o    2.223000      0.6738000       2.053000 0.9353000       2.392000      0.9703000     -0.3391000       1.348000
  1 1 1      28   34    2 o    1.944000      0.6286000       1.985000 0.9045000       1.904000      0.8733000      0.8055000E-01   1.257000
  1 1 1      28   34    3 o    2.469000      0.6985000       2.746000 1.037000       2.193000      0.9355000      0.5527000       1.397000
  1 1 1      28   34    4 o    2.967000      0.7538000       3.516000 1.019000       2.418000       1.111000       1.098000       1.508000
  1 1 1      28   34    5 o    4.261000       1.313000                  ?       ?   4.261000       1.313000                  ?              ?
  1 1 1      29   -8    0 o    2.952000      0.5889000       2.309000 0.9138000       3.595000      0.7431000      -1.287000       1.178000
  1 1 1      29   -8    1 o    1.924000      0.6121000       1.792000 0.8556000       2.057000      0.8755000     -0.2653000       1.224000
  1 1 1      29   -8    2 o    3.903000      0.7363000       3.827000 1.107000       3.978000      0.9708000     -0.1509000       1.473000
  1 1 1      29   -8    3 f    2.234000      0.6021000       2.659000 0.9205000       1.809000      0.7765000      0.8505000       1.204000
  1 1 1      29   -8    4 o    2.320000      0.6640000       1.718000 0.7848000       2.922000       1.071000      -1.204000       1.328000
  1 1 1      29   -7    0 o    2.754000      0.7384000       2.856000 1.094000       2.651000      0.9916000      0.2054000       1.477000
  1 1 1      29   -7    1 o    3.019000      0.5875000       2.566000 0.9419000       3.472000      0.7026000     -0.9055000       1.175000
  1 1 1      29   -7    2 o    4.222000      0.5005000       3.890000 0.8155000       4.553000      0.5806000     -0.6630000       1.001000
  1 1 1      29   -7    3 o    4.491000      0.6406000       4.591000 0.9415000       4.391000      0.8689000      0.1997000       1.281000
  1 1 1      29   -7    4 o    2.692000      0.6615000       1.945000 0.8901000       3.439000      0.9788000      -1.494000       1.323000
  1 1 1      29   -7    5 o    2.240000      0.5954000       2.259000 0.8617000       2.221000      0.8219000      0.3791000E-01   1.191000
  1 1 1      29   -7    6 o    2.429000      0.5933000       2.183000 0.8643000       2.675000      0.8130000     -0.4926000       1.187000
  1 1 1      29   -7    7 o    4.662000      0.4455000       4.030000 0.7505000       5.295000      0.4802000      -1.264000      0.8910000
  1 1 1      29   -7    8 o    7.418000      0.3098000       6.865000 0.4831000       7.971000      0.3880000      -1.106000      0.6196000
  1 1 1      29   -6    0 o    4.039000      0.5259000       4.013000 0.8147000       4.065000      0.6652000     -0.5184000E-01   1.052000
  1 1 1      29   -6    1 f    6.403000      0.3480000       6.251000 0.5520000       6.556000      0.4238000     -0.3056000      0.6960000
  1 1 1      29   -6    2 o    5.880000      0.5319000       5.686000 0.8704000       6.074000      0.6118000     -0.3880000       1.064000
  1 1 1      29   -6    3 o    2.609000      0.6033000       2.345000 0.9134000       2.873000      0.7884000     -0.5282000       1.207000
  1 1 1      29   -6    4 o    6.115000      0.3465000       5.695000 0.5527000       6.536000      0.4181000     -0.8410000      0.6930000
  1 1 1      29   -6    5 o    3.501000      0.5574000       4.144000 0.7799000       2.857000      0.7966000       1.287000       1.115000
  1 1 1      29   -6    6 o    4.087000      0.4863000       4.504000 0.7247000       3.670000      0.6487000      0.8336000      0.9726000
  1 1 1      29   -6    7 o    7.828000      0.2989000       7.732000 0.4655000       7.925000      0.3751000     -0.1929000      0.5978000
  1 1 1      29   -6    8 o    2.971000      0.5855000       3.260000 0.8625000       2.681000      0.7920000      0.5793000       1.171000
  1 1 1      29   -6    9 o    2.528000      0.5928000       2.601000 0.8679000       2.455000      0.8076000      0.1466000       1.186000
  1 1 1      29   -6   10 o    5.213000      0.3747000       4.789000 0.5898000       5.636000      0.4624000     -0.8472000      0.7495000
  1 1 1      29   -6   11 o    3.023000       1.047000       3.023000 1.047000                  ?              ?              ?              ?
  1 1 1      29   -5    0 o    4.130000      0.5233000       4.061000 0.8502000       4.200000      0.6104000     -0.1389000       1.047000
  1 1 1      29   -5    1 o    2.523000      0.7087000       2.494000 1.058000       2.551000      0.9432000     -0.5739000E-01   1.417000
  1 1 1      29   -5    2 o    1.892000      0.5748000       2.086000 0.8885000       1.698000      0.7294000      0.3875000       1.150000
  1 1 1      29   -5    3 o    2.043000      0.5791000       2.055000 0.8596000       2.032000      0.7762000      0.2272000E-01   1.158000
  1 1 1      29   -5    4 o    2.592000      0.5939000       2.294000 0.8933000       2.890000      0.7830000     -0.5961000       1.188000
  1 1 1      29   -5    5 o    6.651000      0.3250000       6.814000 0.5134000       6.488000      0.3987000      0.3262000      0.6500000
  1 1 1      29   -5    6 o    9.786000      0.2797000       9.434000 0.4368000       10.14000      0.3495000     -0.7037000      0.5594000
  1 1 1      29   -5    7 o    10.44000      0.2654000       9.982000 0.4113000       10.91000      0.3355000     -0.9262000      0.5308000
  1 1 1      29   -5    8 o    2.000000      0.5637000       2.337000 0.8787000       1.663000      0.7064000      0.6734000       1.127000
  1 1 1      29   -5    9 o    2.147000      0.5528000       1.737000 0.7728000       2.558000      0.7905000     -0.8207000       1.106000
  1 1 1      29   -5   10 o    4.233000      0.4586000       3.784000 0.7571000       4.681000      0.5178000     -0.8972000      0.9173000
  1 1 1      29   -5   11 o    2.354000      0.5701000       2.136000 0.8283000       2.573000      0.7836000     -0.4366000       1.140000
  1 1 1      29   -5   12 o    6.354000      0.2998000       6.355000 0.4590000       6.353000      0.3857000      0.2550000E-02  0.5996000
  1 1 1      29   -5   13 o    3.227000       1.025000       3.227000 1.025000                  ?              ?              ?              ?
  1 1 1      29   -4    0 o    5.960000      0.5571000       6.557000 0.8505000       5.363000      0.7199000       1.193000       1.114000
  1 1 1      29   -4    1 f    4.943000      0.4554000       4.923000 0.7062000       4.962000      0.5751000     -0.3829000E-01  0.9107000
  1 1 1      29   -4    2 o    4.886000      0.4484000       4.803000 0.7325000       4.970000      0.5172000     -0.1663000      0.8967000
  1 1 1      29   -4    3 o    3.612000      0.5525000       4.120000 0.7937000       3.104000      0.7689000       1.016000       1.105000
  1 1 1      29   -4    4 o    4.088000      0.4924000       3.982000 0.7994000       4.194000      0.5753000     -0.2121000      0.9849000
  1 1 1      29   -4    5 o    6.571000      0.3237000       6.812000 0.5011000       6.329000      0.4098000      0.4829000      0.6473000
  1 1 1      29   -4    6 o    3.220000      0.5653000       3.396000 0.8576000       3.045000      0.7369000      0.3509000       1.131000
  1 1 1      29   -4    7 o    3.075000      0.5693000       2.854000 0.8960000       3.296000      0.7027000     -0.4426000       1.139000
  1 1 1      29   -4    8 o    5.378000      0.3596000       6.165000 0.5180000       4.592000      0.4988000       1.573000      0.7191000
  1 1 1      29   -4    9 o    3.120000      0.5580000       3.248000 0.8297000       2.992000      0.7464000      0.2557000       1.116000
  1 1 1      29   -4   10 o    5.639000      0.3355000       5.718000 0.5218000       5.559000      0.4218000      0.1587000      0.6710000
  1 1 1      29   -4   11 o    4.989000      0.3838000       4.467000 0.6400000       5.511000      0.4238000      -1.044000      0.7676000
  1 1 1      29   -4   12 o    2.626000      0.5793000       2.762000 0.8590000       2.490000      0.7773000      0.2723000       1.159000
  1 1 1      29   -4   13 o    5.613000      0.3356000       5.036000 0.5435000       6.190000      0.3939000      -1.154000      0.6713000
  1 1 1      29   -4   14 f    3.007000      0.6483000       2.865000 0.9802000       3.149000      0.8488000     -0.2845000       1.297000
  1 1 1      29   -3    0 o    7.425000      0.3318000       7.377000 0.5114000       7.474000      0.4228000     -0.9677000E-01  0.6636000
  1 1 1      29   -3    1 o    5.396000      0.4077000       5.002000 0.6613000       5.790000      0.4770000     -0.7884000      0.8154000
  1 1 1      29   -3    2 o    3.830000      0.5350000       3.671000 0.8897000       3.989000      0.5945000     -0.3175000       1.070000
  1 1 1      29   -3    3 f    1.922000      0.5727000       2.089000 0.8713000       1.756000      0.7436000      0.3331000       1.145000
  1 1 1      29   -3    4 o    4.072000      0.4887000       3.866000 0.8070000       4.277000      0.5515000     -0.4110000      0.9774000
  1 1 1      29   -3    5 o    1.977000      0.5641000       2.362000 0.8813000       1.592000      0.7044000      0.7700000       1.128000
  1 1 1      29   -3    6 o    8.250000      0.2924000       7.978000 0.4501000       8.523000      0.3735000     -0.5455000      0.5848000
  1 1 1      29   -3    7 o    4.073000      0.4816000       3.851000 0.7702000       4.295000      0.5783000     -0.4436000      0.9631000
  1 1 1      29   -3    8 o    4.991000      0.4064000       4.558000 0.6676000       5.424000      0.4637000     -0.8657000      0.8129000
  1 1 1      29   -3    9 o    2.181000      0.5738000       2.513000 0.8744000       1.849000      0.7432000      0.6637000       1.148000
  1 1 1      29   -3   10 o    3.600000      0.4964000       3.839000 0.7481000       3.361000      0.6526000      0.4778000      0.9928000
  1 1 1      29   -3   11 o    3.998000      0.4494000       4.689000 0.5971000       3.307000      0.6718000       1.383000      0.8988000
  1 1 1      29   -3   12 o    3.816000      0.6306000       3.203000 1.031000       4.428000      0.7259000      -1.224000       1.261000
  1 1 1      29   -3   13 o    5.221000      0.4858000       5.365000 0.7553000       5.078000      0.6112000      0.2869000      0.9716000
  1 1 1      29   -3   14 o    1.999000      0.5392000       1.983000 0.7846000       2.014000      0.7398000     -0.3169000E-01   1.078000
  1 1 1      29   -3   15 o    1.894000      0.5289000       1.893000 0.7636000       1.896000      0.7321000     -0.3137000E-02   1.058000
  1 1 1      29   -2    0 o    4.752000      0.4653000       5.698000 0.6103000       3.806000      0.7026000       1.892000      0.9307000
  1 1 1      29   -2    1 o    7.322000      0.3326000       6.703000 0.5363000       7.941000      0.3936000      -1.238000      0.6652000
  1 1 1      29   -2    2 o    5.224000      0.4228000       5.001000 0.6694000       5.447000      0.5166000     -0.4461000      0.8455000
  1 1 1      29   -2    3 o    5.796000      0.3657000       5.713000 0.5855000       5.879000      0.4383000     -0.1657000      0.7314000
  1 1 1      29   -2    4 o    3.780000      0.5198000       4.376000 0.7361000       3.185000      0.7339000       1.191000       1.040000
  1 1 1      29   -2    5 o    4.001000      0.4941000       3.959000 0.7760000       4.044000      0.6117000     -0.8469000E-01  0.9881000
  1 1 1      29   -2    6 o    9.155000      0.2680000       9.303000 0.4084000       9.007000      0.3470000      0.2957000      0.5359000
  1 1 1      29   -2    7 o    7.339000      0.4144000       6.310000 0.7485000       8.368000      0.3560000      -2.059000      0.8288000
  1 1 1      29   -2    8 o    5.096000      0.3905000       4.594000 0.6380000       5.599000      0.4505000      -1.005000      0.7811000
  1 1 1      29   -2    9 o    2.651000      0.5725000       2.840000 0.8626000       2.462000      0.7530000      0.3779000       1.145000
  1 1 1      29   -2   10 o    2.134000      0.5627000       2.115000 0.8239000       2.154000      0.7666000     -0.3859000E-01   1.125000
  1 1 1      29   -2   11 o    3.148000      0.6563000       3.712000 0.9632000       2.585000      0.8917000       1.126000       1.313000
  1 1 1      29   -2   12 o    3.827000      0.6084000       2.934000 1.006000       4.721000      0.6840000      -1.787000       1.217000
  1 1 1      29   -2   13 o    1.745000      0.5105000       2.107000 0.8027000       1.383000      0.6309000      0.7241000       1.021000
  1 1 1      29   -2   14 o    7.917000      0.3511000       7.561000 0.5414000       8.274000      0.4471000     -0.7132000      0.7021000
  1 1 1      29   -2   15 o    7.465000      0.3653000       7.243000 0.5707000       7.686000      0.4561000     -0.4426000      0.7306000
  1 1 1      29   -2   16 o    3.181000      0.4837000       2.806000 0.7723000       3.555000      0.5827000     -0.7492000      0.9675000
  1 1 1      29   -2   17 o    5.416000      0.3073000       5.434000 0.4473000       5.398000      0.4215000      0.3623000E-01  0.6146000
  1 1 1      29   -1    0 o    5.112000      0.4365000       5.677000 0.6382000       4.546000      0.5958000       1.131000      0.8731000
  1 1 1      29   -1    1 o    8.866000      0.2991000       9.045000 0.4600000       8.688000      0.3825000      0.3568000      0.5983000
  1 1 1      29   -1    2 o    3.231000      0.6028000       2.932000 0.9536000       3.530000      0.7376000     -0.5983000       1.206000
  1 1 1      29   -1    3 o    4.812000      0.4347000       5.023000 0.6784000       4.602000      0.5438000      0.4207000      0.8695000
  1 1 1      29   -1    4 o    2.101000      0.5851000       2.164000 0.8781000       2.038000      0.7736000      0.1265000       1.170000
  1 1 1      29   -1    5 o    5.045000      0.4007000       5.326000 0.5978000       4.765000      0.5336000      0.5611000      0.8013000
  1 1 1      29   -1    6 o    11.19000      0.2669000       11.05000 0.4002000       11.32000      0.3532000     -0.2671000      0.5338000
  1 1 1      29   -1    7 o    8.197000      0.2863000       8.039000 0.4453000       8.355000      0.3600000     -0.3154000      0.5726000
  1 1 1      29   -1    8 o    2.653000      0.5911000       2.579000 0.9024000       2.726000      0.7635000     -0.1474000       1.182000
  1 1 1      29   -1    9 o    2.489000      0.5791000       2.863000 0.8807000       2.115000      0.7521000      0.7482000       1.158000
  1 1 1      29   -1   10 o    4.923000      0.5401000       4.923000 0.8275000       4.922000      0.6944000      0.5651000E-03   1.080000
  1 1 1      29   -1   11 o    3.866000      0.6298000       3.393000 1.008000       4.340000      0.7554000     -0.9465000       1.260000
  1 1 1      29   -1   12 o    3.831000      0.4634000       3.342000 0.7814000       4.321000      0.4984000     -0.9791000      0.9269000
  1 1 1      29   -1   13 o    3.826000      0.5791000       4.992000 0.7665000       2.659000      0.8683000       2.333000       1.158000
  1 1 1      29   -1   14 o    7.746000      0.3487000       7.198000 0.5565000       8.294000      0.4203000      -1.096000      0.6974000
  1 1 1      29   -1   15 o    2.666000      0.4987000       2.158000 0.7853000       3.174000      0.6150000      -1.016000      0.9975000
  1 1 1      29   -1   16 o    4.437000      0.3598000       4.336000 0.5561000       4.537000      0.4566000     -0.2002000      0.7195000
  1 1 1      29   -1   17 o    2.378000      0.7732000       2.378000 0.7732000                  ?              ?              ?              ?
  1 1 1      29   -1   18 o    2.862000      0.4874000       2.746000 0.7374000       2.978000      0.6377000     -0.2325000      0.9749000
  1 1 1      29    0    0 o    4.529000      0.4983000       4.243000 0.8075000       4.814000      0.5841000     -0.5704000      0.9966000
  1 1 1      29    0    1 o    7.414000      0.3383000       6.845000 0.5378000       7.983000      0.4106000      -1.138000      0.6766000
  1 1 1      29    0    2 o    2.903000      0.6247000       2.954000 0.9390000       2.852000      0.8242000      0.1016000       1.249000
  1 1 1      29    0    3 o    2.754000      0.6074000       3.331000 0.9310000       2.177000      0.7803000       1.154000       1.215000
  1 1 1      29    0    4 o    6.511000      0.3618000       6.054000 0.5801000       6.969000      0.4325000     -0.9151000      0.7236000
  1 1 1      29    0    5 o    1.702000      0.5362000       1.958000 0.8363000       1.446000      0.6712000      0.5126000       1.072000
  1 1 1      29    0    6 o    4.433000      0.4781000       3.869000 0.8148000       4.996000      0.5005000      -1.128000      0.9563000
  1 1 1      29    0    7 o    1.987000      0.5727000       2.207000 0.8661000       1.767000      0.7497000      0.4397000       1.145000
  1 1 1      29    0    8 o    5.315000      0.3719000       5.503000 0.5659000       5.126000      0.4826000      0.3765000      0.7438000
  1 1 1      29    0    9 o    3.413000      0.6717000       4.125000 0.9442000       2.702000      0.9555000       1.423000       1.343000
  1 1 1      29    0   10 o    4.999000      0.5201000       5.307000 0.7406000       4.691000      0.7303000      0.6161000       1.040000
  1 1 1      29    0   11 o    2.792000      0.5124000       2.141000 0.8270000       3.443000      0.6050000      -1.302000       1.025000
  1 1 1      29    0   12 o    4.242000      0.5970000       5.160000 0.8363000       3.324000      0.8523000       1.836000       1.194000
  1 1 1      29    0   13 o    3.091000      0.6531000       2.860000 1.006000       3.322000      0.8328000     -0.4623000       1.306000
  1 1 1      29    0   14 o    6.955000      0.2710000       7.155000 0.4187000       6.755000      0.3440000      0.4000000      0.5420000
  1 1 1      29    0   15 o    5.390000      0.3143000       5.147000 0.4962000       5.633000      0.3859000     -0.4857000      0.6285000
  1 1 1      29    0   16 o    4.759000      0.3267000       4.700000 0.5147000       4.818000      0.4026000     -0.1180000      0.6535000
  1 1 1      29    0   17 o    1.933000      0.5526000       1.802000 0.7397000       2.065000      0.8211000     -0.2624000       1.105000
  1 1 1      29    0   18 o    2.143000      0.5320000       2.219000 0.7702000       2.067000      0.7340000      0.1522000       1.064000
  1 1 1      29    0   19 o    4.093000      0.4709000                  ?       ?   4.093000      0.4709000                  ?              ?
  1 1 1      29    1    0 o    3.879000      0.5001000       3.352000 0.7902000       4.405000      0.6132000      -1.053000       1.000000
  1 1 1      29    1    1 o    3.501000      0.5236000       3.306000 0.7616000       3.696000      0.7188000     -0.3902000       1.047000
  1 1 1      29    1    2 o    4.207000      0.4335000       4.400000 0.5632000       4.014000      0.6592000      0.3868000      0.8670000
  1 1 1      29    1    3 o    2.525000      0.6642000       3.096000 1.060000       1.954000      0.8004000       1.143000       1.328000
  1 1 1      29    1    4 o    4.513000      0.4915000       4.096000 0.8136000       4.929000      0.5517000     -0.8326000      0.9830000
  1 1 1      29    1    5 o    3.582000      0.5371000       2.573000 0.9217000       4.592000      0.5518000      -2.019000       1.074000
  1 1 1      29    1    6 o    2.518000      0.6003000       3.032000 0.9134000       2.004000      0.7790000       1.028000       1.201000
  1 1 1      29    1    7 o    6.294000      0.3514000       6.482000 0.5256000       6.106000      0.4664000      0.3763000      0.7027000
  1 1 1      29    1    8 o    5.576000      0.5581000       4.848000 0.9167000       6.304000      0.6370000      -1.457000       1.116000
  1 1 1      29    1    9 o    4.175000      0.6403000       4.361000 0.9488000       3.989000      0.8600000      0.3718000       1.281000
  1 1 1      29    1   10 o    9.366000      0.2694000       9.146000 0.4262000       9.587000      0.3296000     -0.4405000      0.5388000
  1 1 1      29    1   11 o    5.344000      0.5406000       4.782000 0.9374000       5.907000      0.5387000      -1.125000       1.081000
  1 1 1      29    1   12 o    7.677000      0.3962000       7.760000 0.6271000       7.594000      0.4844000      0.1662000      0.7924000
  1 1 1      29    1   13 o    3.588000      0.4972000       3.243000 0.8350000       3.934000      0.5399000     -0.6903000      0.9944000
  1 1 1      29    1   14 o    2.328000      0.5634000       2.564000 0.8462000       2.092000      0.7442000      0.4721000       1.127000
  1 1 1      29    1   15 f    4.099000      0.3907000       4.221000 0.6060000       3.978000      0.4932000      0.2432000      0.7813000
  1 1 1      29    1   16 o    6.915000      0.2558000       7.098000 0.3849000       6.732000      0.3370000      0.3663000      0.5115000
  1 1 1      29    1   17 o    2.295000      0.5239000       2.483000 0.7871000       2.106000      0.6916000      0.3771000       1.048000
  1 1 1      29    1   18 o    4.013000      0.3621000       4.357000 0.5057000       3.669000      0.5185000      0.6878000      0.7243000
  1 1 1      29    1   19 o    1.414000      0.4459000       1.569000 0.6753000       1.258000      0.5824000      0.3108000      0.8917000
  1 1 1      29    2    0 o    2.660000      0.5593000       2.137000 0.8168000       3.182000      0.7642000      -1.045000       1.119000
  1 1 1      29    2    1 o    2.912000      0.5644000       2.554000 0.8375000       3.270000      0.7569000     -0.7157000       1.129000
  1 1 1      29    2    2 o    2.761000      0.5758000       2.912000 0.8085000       2.611000      0.8202000      0.3014000       1.152000
  1 1 1      29    2    3 o    6.619000      0.3043000       6.351000 0.4405000       6.887000      0.4201000     -0.5359000      0.6087000
  1 1 1      29    2    4 o    6.275000      0.3075000       5.833000 0.4465000       6.718000      0.4231000     -0.8848000      0.6151000
  1 1 1      29    2    5 o    8.750000      0.2626000       8.662000 0.3748000       8.838000      0.3679000     -0.1765000      0.5252000
  1 1 1      29    2    6 o    2.500000      0.5426000       1.922000 0.7537000       3.077000      0.7808000      -1.154000       1.085000
  1 1 1      29    2    7 o    3.280000      0.6426000       2.863000 1.062000       3.697000      0.7238000     -0.8340000       1.285000
  1 1 1      29    2    8 o    7.115000      0.4304000       7.448000 0.6472000       6.781000      0.5676000      0.6665000      0.8609000
  1 1 1      29    2    9 o    5.745000      0.3693000       5.363000 0.6086000       6.126000      0.4187000     -0.7630000      0.7387000
  1 1 1      29    2   10 o    4.958000      0.3863000       4.853000 0.6131000       5.063000      0.4702000     -0.2098000      0.7726000
  1 1 1      29    2   11 o    4.489000      0.6500000       4.608000 1.093000       4.371000      0.7042000      0.2369000       1.300000
  1 1 1      29    2   12 o    9.524000      0.2610000       9.976000 0.3970000       9.073000      0.3390000      0.9029000      0.5221000
  1 1 1      29    2   13 o    2.637000      0.5462000       2.910000 0.8238000       2.363000      0.7175000      0.5475000       1.092000
  1 1 1      29    2   14 o    4.306000      0.3912000       4.243000 0.6437000       4.368000      0.4448000     -0.1248000      0.7825000
  1 1 1      29    2   15 f    1.769000      0.5087000       1.803000 0.7579000       1.735000      0.6786000      0.6767000E-01   1.017000
  1 1 1      29    2   16 o    5.710000      0.2896000       5.855000 0.4541000       5.565000      0.3596000      0.2892000      0.5793000
  1 1 1      29    2   17 o    3.383000      0.4624000       3.915000 0.6315000       2.851000      0.6757000       1.064000      0.9249000
  1 1 1      29    2   18 o    1.679000      0.4968000       1.827000 0.7405000       1.532000      0.6625000      0.2944000      0.9936000
  1 1 1      29    2   19 o    4.808000      0.3065000       4.706000 0.4644000       4.909000      0.4003000     -0.2033000      0.6131000
  1 1 1      29    2   20 o    6.010000      0.3063000       5.748000 0.3741000       6.273000      0.4852000     -0.5249000      0.6126000
  1 1 1      29    3    0 o    3.723000      0.5197000       4.078000 0.6865000       3.368000      0.7805000      0.7093000       1.039000
  1 1 1      29    3    1 o    10.42000      0.2695000       10.42000 0.3796000       10.42000      0.3827000     -0.1545000E-02  0.5390000
  1 1 1      29    3    2 o    4.567000      0.4268000       4.996000 0.5316000       4.138000      0.6679000      0.8576000      0.8536000
  1 1 1      29    3    3 o    6.027000      0.3214000       6.106000 0.4495000       5.948000      0.4596000      0.1577000      0.6429000
  1 1 1      29    3    4 o    5.312000      0.3412000       5.327000 0.4735000       5.298000      0.4913000      0.2886000E-01  0.6824000
  1 1 1      29    3    5 o    2.828000      0.5638000       3.068000 0.7618000       2.587000      0.8312000      0.4816000       1.128000
  1 1 1      29    3    6 o    11.64000      0.2595000       11.65000 0.3649000       11.63000      0.3691000      0.1440000E-01  0.5190000
  1 1 1      29    3    7 f    6.867000      0.4476000       7.632000 0.6447000       6.102000      0.6212000       1.530000      0.8953000
  1 1 1      29    3    8 f    6.342000      0.3060000       6.275000 0.4303000       6.409000      0.4351000     -0.1349000      0.6120000
  1 1 1      29    3    9 o    6.209000      0.3077000       6.563000 0.4198000       5.855000      0.4500000      0.7082000      0.6154000
  1 1 1      29    3   10 o    1.693000      0.7722000                  ?       ?   1.693000      0.7722000                  ?              ?
  1 1 1      29    3   11 o    5.684000      0.3510000       5.939000 0.5372000       5.430000      0.4518000      0.5087000      0.7020000
  1 1 1      29    3   12 o    5.308000      0.3637000       5.432000 0.5641000       5.183000      0.4592000      0.2494000      0.7274000
  1 1 1      29    3   13 f    4.341000      0.4090000       4.741000 0.6333000       3.941000      0.5177000      0.8002000      0.8180000
  1 1 1      29    3   14 o    7.810000      0.2705000       7.770000 0.4210000       7.850000      0.3399000     -0.7998000E-01  0.5411000
  1 1 1      29    3   15 o    7.946000      0.2595000       7.684000 0.4079000       8.208000      0.3209000     -0.5239000      0.5190000
  1 1 1      29    3   16 o    5.491000      0.3056000       5.446000 0.4840000       5.536000      0.3732000     -0.9036000E-01  0.6112000
  1 1 1      29    3   17 o    4.420000      0.3549000       4.211000 0.5587000       4.629000      0.4377000     -0.4173000      0.7098000
  1 1 1      29    3   18 o    2.669000      0.7566000       2.669000 0.7566000                  ?              ?              ?              ?
  1 1 1      29    3   19 o    6.270000      0.2504000       6.017000 0.3826000       6.524000      0.3233000     -0.5065000      0.5009000
  1 1 1      29    3   20 o    7.219000      0.3048000                  ?       ?   7.219000      0.3048000                  ?              ?
  1 1 1      29    3   21 o    1.795000      0.4819000       2.045000 0.7146000       1.546000      0.6466000      0.4991000      0.9638000
  1 1 1      29    4    0 o    9.856000      0.2663000       9.860000 0.3783000       9.851000      0.3749000      0.9523000E-02  0.5326000
  1 1 1      29    4    1 o    12.92000      0.2628000       12.95000 0.3734000       12.89000      0.3699000      0.6075000E-01  0.5256000
  1 1 1      29    4    2 o    11.26000      0.2639000       10.88000 0.3692000       11.64000      0.3772000     -0.7611000      0.5279000
  1 1 1      29    4    3 o    10.38000      0.2598000       10.34000 0.3657000       10.42000      0.3691000     -0.8444000E-01  0.5196000
  1 1 1      29    4    4 o    8.936000      0.2705000       9.234000 0.3821000       8.639000      0.3831000      0.5954000      0.5411000
  1 1 1      29    4    5 o    1.687000      0.5204000       1.644000 0.7247000       1.731000      0.7470000     -0.8773000E-01   1.041000
  1 1 1      29    4    6 o    5.357000      0.5545000       5.820000 0.8147000       4.895000      0.7526000      0.9247000       1.109000
  1 1 1      29    4    7 o    4.021000      0.6505000       5.156000 0.8293000       2.886000       1.002000       2.271000       1.301000
  1 1 1      29    4    8 o    4.647000      0.3774000       4.699000 0.5293000       4.595000      0.5382000      0.1037000      0.7548000
  1 1 1      29    4    9 f    5.403000      0.4409000       4.420000 0.7037000       6.386000      0.5315000      -1.966000      0.8819000
  1 1 1      29    4   10 o    2.873000      0.6113000       3.010000 0.8339000       2.737000      0.8941000      0.2721000       1.223000
  1 1 1      29    4   11 o    2.897000      0.5157000       3.288000 0.6795000       2.506000      0.7760000      0.7821000       1.031000
  1 1 1      29    4   12 o    4.024000      0.3842000       3.761000 0.5647000       4.286000      0.5211000     -0.5252000      0.7684000
  1 1 1      29    4   13 o    4.091000      0.5226000       4.494000 0.8817000       3.689000      0.5612000      0.8049000       1.045000
  1 1 1      29    4   14 o    3.099000      0.5503000       3.140000 0.8705000       3.059000      0.6734000      0.8064000E-01   1.101000
  1 1 1      29    4   15 o    5.177000      0.3477000       5.016000 0.5718000       5.339000      0.3958000     -0.3235000      0.6954000
  1 1 1      29    4   16 o    2.080000      0.5285000       1.891000 0.7924000       2.268000      0.6994000     -0.3763000       1.057000
  1 1 1      29    4   17 o    4.491000      0.3476000       4.781000 0.5174000       4.200000      0.4644000      0.5807000      0.6953000
  1 1 1      29    4   18 o    5.391000      0.2736000       6.004000 0.4211000       4.779000      0.3493000       1.225000      0.5471000
  1 1 1      29    4   19 o    4.092000      0.3672000       3.520000 0.6090000       4.664000      0.4106000      -1.145000      0.7345000
  1 1 1      29    4   20 o    2.063000      0.4294000       1.458000 0.5898000       2.669000      0.6241000      -1.211000      0.8587000
  1 1 1      29    4   21 o    2.936000      0.5715000       3.678000 0.8145000       2.195000      0.8019000       1.483000       1.143000
  1 1 1      29    5    0 o    7.731000      0.2979000       7.808000 0.4159000       7.654000      0.4265000      0.1534000      0.5957000
  1 1 1      29    5    1 o    10.83000      0.2684000       10.97000 0.3800000       10.68000      0.3791000      0.2877000      0.5368000
  1 1 1      29    5    2 f    8.583000      0.2767000       8.081000 0.4007000       9.084000      0.3817000      -1.003000      0.5534000
  1 1 1      29    5    3 o    3.828000      0.4870000       3.598000 0.7207000       4.057000      0.6553000     -0.4593000      0.9740000
  1 1 1      29    5    4 o    9.928000      0.2631000       10.05000 0.3739000       9.806000      0.3703000      0.2432000      0.5263000
  1 1 1      29    5    5 o    4.994000      0.3821000       4.872000 0.5408000       5.117000      0.5399000     -0.2450000      0.7642000
  1 1 1      29    5    6 o    2.544000      0.6913000       2.342000 0.9841000       2.747000      0.9711000     -0.4051000       1.383000
  1 1 1      29    5    7 o    8.366000      0.2660000       8.216000 0.3813000       8.516000      0.3710000     -0.2999000      0.5320000
  1 1 1      29    5    8 o    1.889000      0.5407000       2.040000 0.7974000       1.737000      0.7304000      0.3039000       1.081000
  1 1 1      29    5    9 o    4.806000      0.4772000       4.309000 0.7162000       5.302000      0.6309000     -0.9927000      0.9544000
  1 1 1      29    5   10 o    4.796000      0.3780000       5.399000 0.4564000       4.193000      0.6026000       1.206000      0.7560000
  1 1 1      29    5   11 f    7.105000      0.2686000       7.289000 0.3711000       6.920000      0.3885000      0.3695000      0.5373000
  1 1 1      29    5   12 o    8.283000      0.2503000       8.437000 0.3526000       8.128000      0.3554000      0.3086000      0.5006000
  1 1 1      29    5   13 o    4.757000      0.3250000       4.697000 0.4415000       4.818000      0.4772000     -0.1211000      0.6501000
  1 1 1      29    5   14 o    9.032000      0.2326000       8.741000 0.3265000       9.324000      0.3314000     -0.5836000      0.4652000
  1 1 1      29    5   15 o    7.441000      0.2445000       7.621000 0.3416000       7.261000      0.3500000      0.3599000      0.4891000
  1 1 1      29    5   16 o    2.067000      0.5185000       1.560000 0.7482000       2.575000      0.7179000      -1.015000       1.037000
  1 1 1      29    5   17 o    6.737000      0.2700000       6.588000 0.4206000       6.886000      0.3386000     -0.2976000      0.5400000
  1 1 1      29    5   18 o    5.521000      0.2893000       5.361000 0.4548000       5.681000      0.3575000     -0.3202000      0.5785000
  1 1 1      29    5   19 o    1.475000      0.4558000       1.453000 0.6518000       1.498000      0.6374000     -0.4481000E-01  0.9117000
  1 1 1      29    5   20 o    2.997000      0.4150000       1.885000 0.7129000       4.109000      0.4250000      -2.224000      0.8300000
  1 1 1      29    5   21 o    1.885000      0.5566000       2.040000 0.8454000       1.730000      0.7241000      0.3100000       1.113000
  1 1 1      29    5   22 o    1.550000      0.4197000       1.135000 0.5340000       1.965000      0.6477000     -0.8297000      0.8395000
  1 1 1      29    6    0 o    4.485000      0.4440000       4.331000 0.6596000       4.640000      0.5946000     -0.3082000      0.8881000
  1 1 1      29    6    1 o    17.51000      0.2964000       17.36000 0.4176000       17.67000      0.4206000     -0.3037000      0.5927000
  1 1 1      29    6    2 o    2.455000      0.5948000       2.173000 0.8221000       2.737000      0.8598000     -0.5640000       1.190000
  1 1 1      29    6    3 o    9.276000      0.2719000       8.876000 0.3835000       9.676000      0.3856000     -0.7998000      0.5439000
  1 1 1      29    6    4 o    13.89000      0.2673000       13.81000 0.3805000       13.97000      0.3754000     -0.1578000      0.5345000
  1 1 1      29    6    5 o    4.595000      0.6246000       4.391000 0.9516000       4.798000      0.8092000     -0.4077000       1.249000
  1 1 1      29    6    6 o    4.139000      0.6569000       4.579000 0.9229000       3.700000      0.9350000      0.8789000       1.314000
  1 1 1      29    6    7 o    7.345000      0.2880000       7.595000 0.4104000       7.095000      0.4041000      0.5003000      0.5760000
  1 1 1      29    6    8 o    7.611000      0.3794000       8.222000 0.5226000       6.999000      0.5502000       1.223000      0.7589000
  1 1 1      29    6    9 o    3.807000      0.6098000       4.302000 0.7729000       3.313000      0.9434000      0.9884000       1.220000
  1 1 1      29    6   10 o    2.710000      0.5268000       3.392000 0.6954000       2.027000      0.7914000       1.364000       1.054000
  1 1 1      29    6   11 o    8.896000      0.2512000       9.024000 0.3532000       8.768000      0.3572000      0.2559000      0.5024000
  1 1 1      29    6   12 o    9.100000      0.2461000       9.339000 0.3412000       8.861000      0.3548000      0.4779000      0.4922000
  1 1 1      29    6   13 o    3.376000      0.4735000       3.513000 0.6398000       3.238000      0.6980000      0.2753000      0.9469000
  1 1 1      29    6   14 o    9.601000      0.2366000       9.761000 0.3330000       9.440000      0.3362000      0.3212000      0.4732000
  1 1 1      29    6   15 o    7.576000      0.2436000       7.867000 0.3356000       7.286000      0.3533000      0.5817000      0.4873000
  1 1 1      29    6   16 o    4.414000      0.3419000       3.890000 0.5138000       4.937000      0.4513000      -1.046000      0.6838000
  1 1 1      29    6   17 o    4.576000      0.3138000       4.296000 0.4375000       4.856000      0.4500000     -0.5595000      0.6276000
  1 1 1      29    6   18 o    7.046000      0.3339000       6.431000 0.5878000       7.661000      0.3170000      -1.231000      0.6678000
  1 1 1      29    6   19 o    3.326000      0.5383000       3.741000 0.8836000       2.911000      0.6151000      0.8302000       1.077000
  1 1 1      29    6   20 o    1.631000      0.5147000       1.986000 0.8293000       1.277000      0.6098000      0.7099000       1.029000
  1 1 1      29    6   21 o    3.293000      0.5434000       2.742000 0.9119000       3.844000      0.5914000      -1.102000       1.087000
  1 1 1      29    6   22 o    1.583000      0.4670000       1.349000 0.5952000       1.816000      0.7197000     -0.4670000      0.9340000
  1 1 1      29    7    0 o    8.845000      0.2799000       8.910000 0.3938000       8.780000      0.3980000      0.1301000      0.5599000
  1 1 1      29    7    1 o    17.54000      0.2965000       17.57000 0.4199000       17.50000      0.4186000      0.6575000E-01  0.5929000
  1 1 1      29    7    2 o    2.744000      0.5716000       2.216000 0.8244000       3.272000      0.7920000      -1.056000       1.143000
  1 1 1      29    7    3 o    11.30000      0.2647000       11.27000 0.3735000       11.33000      0.3751000     -0.5950000E-01  0.5294000
  1 1 1      29    7    4 o    7.281000      0.3033000       7.347000 0.4212000       7.214000      0.4367000      0.1333000      0.6067000
  1 1 1      29    7    5 o    6.117000      0.4989000       5.890000 0.7644000       6.344000      0.6413000     -0.4538000      0.9978000
  1 1 1      29    7    6 o    7.854000      0.2749000       8.213000 0.3719000       7.495000      0.4050000      0.7179000      0.5498000
  1 1 1      29    7    7 o    9.257000      0.2618000       9.694000 0.3669000       8.820000      0.3736000      0.8731000      0.5236000
  1 1 1      29    7    8 o    4.545000      0.5576000       3.506000 0.8997000       5.584000      0.6591000      -2.078000       1.115000
  1 1 1      29    7    9 o    3.165000      0.5287000       3.402000 0.6900000       2.928000      0.8013000      0.4744000       1.057000
  1 1 1      29    7   10 o    3.218000      0.5106000       2.828000 0.7631000       3.608000      0.6786000     -0.7799000       1.021000
  1 1 1      29    7   11 o    6.668000      0.2980000       7.152000 0.4051000       6.185000      0.4371000      0.9668000      0.5960000
  1 1 1      29    7   12 o    6.583000      0.2977000       6.612000 0.4127000       6.555000      0.4291000      0.5762000E-01  0.5954000
  1 1 1      29    7   13 o    7.610000      0.2715000       7.466000 0.3871000       7.755000      0.3807000     -0.2891000      0.5429000
  1 1 1      29    7   14 o    2.347000      0.5513000       2.135000 0.7795000       2.559000      0.7799000     -0.4237000       1.103000
  1 1 1      29    7   15 o    4.342000      0.3643000       4.191000 0.5402000       4.494000      0.4889000     -0.3024000      0.7286000
  1 1 1      29    7   16 o    7.062000      0.2494000       7.007000 0.3491000       7.118000      0.3563000     -0.1112000      0.4988000
  1 1 1      29    7   17 o    2.316000      0.5130000       1.992000 0.7196000       2.640000      0.7313000     -0.6474000       1.026000
  1 1 1      29    7   18 o    9.393000      0.2177000       9.345000 0.3077000       9.440000      0.3080000     -0.9527000E-01  0.4353000
  1 1 1      29    7   19 o    4.512000      0.3982000       4.512000 0.3982000                  ?              ?              ?              ?
  1 1 1      29    7   20 o    1.891000      0.5583000       2.000000 0.8252000       1.782000      0.7521000      0.2183000       1.117000
  1 1 1      29    7   21 o    5.488000      0.3269000                  ?       ?   5.488000      0.3269000                  ?              ?
  1 1 1      29    7   22 o    2.045000      0.4231000       1.444000 0.6137000       2.645000      0.5827000      -1.202000      0.8463000
  1 1 1      29    7   23 f    2.971000      0.4932000       2.679000 0.7471000       3.263000      0.6441000     -0.5834000      0.9864000
  1 1 1      29    8    0 o    6.059000      0.3566000       6.250000 0.4850000       5.869000      0.5231000      0.3809000      0.7133000
  1 1 1      29    8    1 o    12.02000      0.2673000       11.74000 0.3793000       12.31000      0.3768000     -0.5776000      0.5346000
  1 1 1      29    8    2 o    4.879000      0.3995000       4.867000 0.5596000       4.891000      0.5702000     -0.2473000E-01  0.7990000
  1 1 1      29    8    3 o    11.26000      0.2660000       11.65000 0.3722000       10.88000      0.3800000      0.7709000      0.5319000
  1 1 1      29    8    4 o    4.892000      0.4115000       4.443000 0.6234000       5.340000      0.5373000     -0.8970000      0.8230000
  1 1 1      29    8    5 o    4.014000      0.6804000       3.372000 1.071000       4.655000      0.8391000      -1.283000       1.361000
  1 1 1      29    8    6 o    9.040000      0.2706000       8.994000 0.3825000       9.085000      0.3829000     -0.9043000E-01  0.5412000
  1 1 1      29    8    7 o    5.696000      0.3454000       5.502000 0.5064000       5.891000      0.4699000     -0.3894000      0.6909000
  1 1 1      29    8    8 o    5.255000      0.4884000       4.309000 0.7609000       6.202000      0.6126000      -1.893000      0.9769000
  1 1 1      29    8    9 o    3.733000      0.4770000       3.407000 0.7220000       4.059000      0.6235000     -0.6520000      0.9540000
  1 1 1      29    8   10 o    2.316000      0.5724000       2.268000 0.8072000       2.364000      0.8119000     -0.9559000E-01   1.145000
  1 1 1      29    8   11 o    4.912000      0.3722000       4.877000 0.5256000       4.948000      0.5272000     -0.7142000E-01  0.7445000
  1 1 1      29    8   12 o    10.01000      0.2541000       10.14000 0.3596000       9.886000      0.3592000      0.2528000      0.5083000
  1 1 1      29    8   13 o    6.679000      0.2944000       6.722000 0.4101000       6.636000      0.4226000      0.8596000E-01  0.5889000
  1 1 1      29    8   14 o    2.618000      0.4903000       3.558000 0.6600000       1.678000      0.7253000       1.880000      0.9806000
  1 1 1      29    8   15 o    8.505000      0.2450000       8.096000 0.3513000       8.915000      0.3416000     -0.8183000      0.4900000
  1 1 1      29    8   16 o    7.434000      0.2475000       7.774000 0.3410000       7.093000      0.3589000      0.6815000      0.4950000
  1 1 1      29    8   17 o    2.722000      0.4878000       2.596000 0.6919000       2.849000      0.6877000     -0.2532000      0.9755000
  1 1 1      29    8   18 o    7.600000      0.2273000       7.788000 0.3157000       7.412000      0.3271000      0.3755000      0.4546000
  1 1 1      29    8   19 o    2.287000      0.3987000       1.681000 0.6576000       2.893000      0.4510000      -1.212000      0.7974000
  1 1 1      29    8   20 o    2.516000      0.5741000       2.051000 0.8462000       2.980000      0.7761000     -0.9286000       1.148000
  1 1 1      29    8   21 o    4.793000      0.3536000                  ?       ?   4.793000      0.3536000                  ?              ?
  1 1 1      29    8   22 o    5.236000      0.2327000       5.396000 0.3290000       5.077000      0.3291000      0.3187000      0.4654000
  1 1 1      29    8   23 o    6.908000      0.2660000       7.191000 0.3527000       6.625000      0.3981000      0.5663000      0.5319000
  1 1 1      29    9    0 o    11.28000      0.2760000       11.10000 0.3895000       11.46000      0.3910000     -0.3607000      0.5519000
  1 1 1      29    9    1 o    13.83000      0.2765000       13.87000 0.3915000       13.80000      0.3907000      0.6878000E-01  0.5531000
  1 1 1      29    9    2 o    5.755000      0.3791000       5.495000 0.5525000       6.016000      0.5191000     -0.5207000      0.7581000
  1 1 1      29    9    3 o    14.44000      0.2763000       14.72000 0.3932000       14.16000      0.3884000      0.5517000      0.5526000
  1 1 1      29    9    4 o    6.739000      0.3317000       7.300000 0.4388000       6.179000      0.4976000       1.121000      0.6634000
  1 1 1      29    9    5 o    5.903000      0.5081000       6.030000 0.7350000       5.776000      0.7017000      0.2543000       1.016000
  1 1 1      29    9    6 o    7.350000      0.3043000       7.585000 0.4257000       7.114000      0.4349000      0.4709000      0.6086000
  1 1 1      29    9    7 o    5.773000      0.3555000       6.239000 0.4735000       5.308000      0.5304000      0.9316000      0.7110000
  1 1 1      29    9    8 o    4.041000      0.6443000       3.759000 0.9278000       4.323000      0.8943000     -0.5639000       1.289000
  1 1 1      29    9    9 o    1.426000      0.4712000       1.384000 0.6512000       1.469000      0.6811000     -0.8479000E-01  0.9423000
  1 1 1      29    9   10 o    5.280000      0.3568000       5.147000 0.5188000       5.413000      0.4899000     -0.2665000      0.7135000
  1 1 1      29    9   11 o    4.783000      0.3924000       4.909000 0.5606000       4.657000      0.5491000      0.2521000      0.7847000
  1 1 1      29    9   12 o    6.928000      0.2927000       6.750000 0.4220000       7.106000      0.4057000     -0.3560000      0.5854000
  1 1 1      29    9   13 o    7.136000      0.2829000       7.076000 0.3987000       7.195000      0.4015000     -0.1194000      0.5658000
  1 1 1      29    9   14 o    2.337000      0.5575000       2.120000 0.7865000       2.554000      0.7903000     -0.4341000       1.115000
  1 1 1      29    9   15 o    7.386000      0.2587000       7.363000 0.3645000       7.410000      0.3673000     -0.4749000E-01  0.5175000
  1 1 1      29    9   16 o    7.480000      0.2498000       7.803000 0.3498000       7.157000      0.3568000      0.6463000      0.4997000
  1 1 1      29    9   17 o    1.924000      0.5093000       1.722000 0.7003000       2.127000      0.7395000     -0.4052000       1.019000
  1 1 1      29    9   18 o    4.407000      0.3205000       4.355000 0.4565000       4.460000      0.4500000     -0.1049000      0.6410000
  1 1 1      29    9   19 o    1.272000      0.4144000       1.287000 0.5896000       1.257000      0.5823000      0.3078000E-01  0.8287000
  1 1 1      29    9   20 o    3.322000      0.5437000       3.682000 0.7835000       2.962000      0.7542000      0.7203000       1.087000
  1 1 1      29    9   21 o    6.343000      0.3160000       6.078000 0.5619000       6.607000      0.2893000     -0.5288000      0.6320000
  1 1 1      29    9   22 o    2.677000      0.4242000       2.954000 0.5657000       2.400000      0.6322000      0.5537000      0.8483000
  1 1 1      29    9   23 o    4.706000      0.3321000       5.156000 0.4166000       4.256000      0.5172000      0.9003000      0.6641000
  1 1 1      29   10    0 o    2.962000      0.6229000       2.684000 0.9057000       3.239000      0.8554000     -0.5544000       1.246000
  1 1 1      29   10    1 o    13.44000      0.2765000       13.15000 0.3900000       13.74000      0.3919000     -0.5951000      0.5529000
  1 1 1      29   10    2 o    8.285000      0.3064000       8.373000 0.4389000       8.197000      0.4277000      0.1759000      0.6128000
  1 1 1      29   10    3 o    2.212000      0.5959000       1.942000 0.8207000       2.483000      0.8642000     -0.5408000       1.192000
  1 1 1      29   10    4 o    3.238000      0.5790000       4.041000 0.7628000       2.436000      0.8714000       1.605000       1.158000
  1 1 1      29   10    5 o    5.781000      0.5426000       6.795000 0.6938000       4.767000      0.8344000       2.029000       1.085000
  1 1 1      29   10    6 o    10.58000      0.2688000       10.41000 0.3862000       10.74000      0.3741000     -0.3360000      0.5377000
  1 1 1      29   10    7 o    7.684000      0.3538000       8.170000 0.5684000       7.198000      0.4214000      0.9723000      0.7076000
  1 1 1      29   10    8 o    2.492000      0.6662000       2.959000 0.9818000       2.025000      0.9006000      0.9343000       1.332000
  1 1 1      29   10    9 o    4.094000      0.4728000       4.273000 0.6504000       3.915000      0.6863000      0.3571000      0.9455000
  1 1 1      29   10   10 o    2.133000      0.5740000       2.398000 0.8461000       1.868000      0.7760000      0.5292000       1.148000
  1 1 1      29   10   11 o    6.619000      0.3107000       6.656000 0.4429000       6.582000      0.4358000      0.7364000E-01  0.6214000
  1 1 1      29   10   12 o    3.519000      0.5168000       3.245000 0.7683000       3.794000      0.6913000     -0.5492000       1.034000
  1 1 1      29   10   13 o    8.378000      0.2646000       8.189000 0.3838000       8.567000      0.3644000     -0.3777000      0.5292000
  1 1 1      29   10   14 o    5.462000      0.3321000       5.162000 0.4986000       5.762000      0.4389000     -0.6007000      0.6643000
  1 1 1      29   10   15 o    5.249000      0.3427000       4.987000 0.5212000       5.511000      0.4451000     -0.5249000      0.6854000
  1 1 1      29   10   16 o    1.795000      0.5226000       1.985000 0.7795000       1.605000      0.6963000      0.3807000       1.045000
  1 1 1      29   10   17 o    9.248000      0.2333000       9.363000 0.3355000       9.133000      0.3243000      0.2299000      0.4667000
  1 1 1      29   10   18 o    2.577000      0.5104000       2.794000 0.7396000       2.360000      0.7037000      0.4334000       1.021000
  1 1 1      29   10   19 o    2.538000      0.4877000       2.798000 0.6641000       2.277000      0.7145000      0.5208000      0.9754000
  1 1 1      29   10   20 o    2.840000      0.5864000       3.533000 0.8648000       2.148000      0.7921000       1.385000       1.173000
  1 1 1      29   10   21 o    3.889000      0.4642000       3.594000 0.7661000       4.185000      0.5244000     -0.5915000      0.9284000
  1 1 1      29   10   22 o    1.831000      0.4430000       1.478000 0.6339000       2.183000      0.6191000     -0.7042000      0.8861000
  1 1 1      29   10   23 o    2.097000      0.5254000       1.983000 0.7360000       2.211000      0.7501000     -0.2281000       1.051000
  1 1 1      29   11    0 o    4.908000      0.4423000       4.966000 0.6470000       4.849000      0.6034000      0.1174000      0.8847000
  1 1 1      29   11    1 o    7.313000      0.3270000       7.106000 0.4699000       7.519000      0.4548000     -0.4122000      0.6540000
  1 1 1      29   11    2 o    12.44000      0.2734000       12.37000 0.3873000       12.50000      0.3859000     -0.1310000      0.5468000
  1 1 1      29   11    3 o    3.457000      0.5784000       2.990000 0.9065000       3.924000      0.7186000     -0.9339000       1.157000
  1 1 1      29   11    4 o    2.125000      0.6020000       1.926000 0.8241000       2.325000      0.8777000     -0.3989000       1.204000
  1 1 1      29   11    5 o    11.99000      0.3780000       11.68000 0.5565000       12.30000      0.5118000     -0.6193000      0.7560000
  1 1 1      29   11    6 o    3.057000      0.5771000       2.456000 0.8759000       3.657000      0.7517000      -1.201000       1.154000
  1 1 1      29   11    7 o    3.969000      0.5119000       3.576000 0.8111000       4.363000      0.6247000     -0.7869000       1.024000
  1 1 1      29   11    8 o    2.467000      0.6804000       1.956000 0.8774000       2.978000       1.040000      -1.022000       1.361000
  1 1 1      29   11    9 o    5.305000      0.3781000       5.178000 0.5461000       5.432000      0.5231000     -0.2547000      0.7562000
  1 1 1      29   11   10 o    3.943000      0.4784000       3.666000 0.7386000       4.220000      0.6082000     -0.5539000      0.9568000
  1 1 1      29   11   11 f    1.965000      0.5619000       1.986000 0.8031000       1.943000      0.7860000      0.4258000E-01   1.124000
  1 1 1      29   11   12 o    7.422000      0.2890000       7.744000 0.4090000       7.101000      0.4086000      0.6423000      0.5781000
  1 1 1      29   11   13 o    7.536000      0.2796000       7.633000 0.4008000       7.439000      0.3898000      0.1947000      0.5591000
  1 1 1      29   11   14 o    2.862000      0.5518000       2.337000 0.8368000       3.386000      0.7193000      -1.049000       1.104000
  1 1 1      29   11   15 o    7.284000      0.2745000       7.223000 0.4023000       7.344000      0.3735000     -0.1213000      0.5489000
  1 1 1      29   11   16 o    6.031000      0.3017000       5.925000 0.4581000       6.137000      0.3926000     -0.2117000      0.6034000
  1 1 1      29   11   17 o    10.47000      0.2336000       10.57000 0.3356000       10.37000      0.3251000      0.2048000      0.4672000
  1 1 1      29   11   18 o    2.132000      0.5163000       1.806000 0.7272000       2.458000      0.7330000     -0.6525000       1.033000
  1 1 1      29   11   19 o    2.141000      0.4532000       2.921000 0.6678000       1.361000      0.6129000       1.561000      0.9064000
  1 1 1      29   11   20 o    4.905000      0.4056000       4.905000 0.4056000                  ?              ?              ?              ?
  1 1 1      29   11   21 f    2.641000      0.5785000       2.821000 0.8831000       2.462000      0.7475000      0.3592000       1.157000
  1 1 1      29   11   22 o    1.973000      0.4560000       1.514000 0.6913000       2.432000      0.5948000     -0.9173000      0.9120000
  1 1 1      29   11   23 o    3.722000      0.3182000       3.629000 0.4927000       3.815000      0.4027000     -0.1863000      0.6363000
  1 1 1      29   11   24 o    3.184000      0.7102000                  ?       ?   3.184000      0.7102000                  ?              ?
  1 1 1      29   12    0 o    3.582000      0.5830000       3.298000 0.9000000       3.865000      0.7415000     -0.5670000       1.166000
  1 1 1      29   12    1 o    8.067000      0.3057000       7.890000 0.4448000       8.243000      0.4196000     -0.3527000      0.6115000
  1 1 1      29   12    2 o    11.08000      0.2767000       10.86000 0.3984000       11.31000      0.3842000     -0.4495000      0.5534000
  1 1 1      29   12    3 o    5.510000      0.3914000       5.359000 0.5871000       5.661000      0.5176000     -0.3025000      0.7827000
  1 1 1      29   12    4 o    5.543000      0.3840000       5.889000 0.5135000       5.197000      0.5711000      0.6915000      0.7680000
  1 1 1      29   12    5 o    8.394000      0.4203000       8.325000 0.6422000       8.463000      0.5423000     -0.1381000      0.8406000
  1 1 1      29   12    6 o    6.708000      0.3218000       6.572000 0.4792000       6.843000      0.4296000     -0.2711000      0.6435000
  1 1 1      29   12    7 o    3.184000      0.5826000       3.000000 0.8657000       3.367000      0.7799000     -0.3677000       1.165000
  1 1 1      29   12    8 f    3.867000      0.6680000       4.753000 0.8515000       2.982000       1.029000       1.771000       1.336000
  1 1 1      29   12    9 o    3.508000      0.7120000       3.564000 0.9697000       3.453000       1.043000      0.1107000       1.424000
  1 1 1      29   12   10 o    4.188000      0.4538000       4.282000 0.6410000       4.094000      0.6425000      0.1886000      0.9076000
  1 1 1      29   12   11 f    7.571000      0.2871000       7.985000 0.4035000       7.157000      0.4084000      0.8274000      0.5741000
  1 1 1      29   12   12 o    14.45000      0.2654000       14.49000 0.3810000       14.40000      0.3696000      0.9105000E-01  0.5308000
  1 1 1      29   12   13 o    8.918000      0.2601000       8.966000 0.3717000       8.870000      0.3640000      0.9657000E-01  0.5202000
  1 1 1      29   12   14 o    2.818000      0.5751000       2.636000 0.8420000       3.000000      0.7837000     -0.3639000       1.150000
  1 1 1      29   12   15 o    4.095000      0.4381000       4.399000 0.6032000       3.792000      0.6355000      0.6066000      0.8762000
  1 1 1      29   12   16 o    10.47000      0.2394000       10.96000 0.3487000       9.983000      0.3279000      0.9793000      0.4787000
  1 1 1      29   12   17 o    7.152000      0.2603000       7.433000 0.3756000       6.871000      0.3605000      0.5617000      0.5206000
  1 1 1      29   12   18 o    4.283000      0.3659000       3.762000 0.5853000       4.804000      0.4391000      -1.042000      0.7317000
  1 1 1      29   12   19 o    3.097000      0.4455000       2.718000 0.7148000       3.477000      0.5318000     -0.7592000      0.8910000
  1 1 1      29   12   20 o    6.367000      0.3570000       6.367000 0.3570000                  ?              ?              ?              ?
  1 1 1      29   12   21 o    3.050000      0.5548000       3.753000 0.8011000       2.347000      0.7678000       1.406000       1.110000
  1 1 1      29   12   22 o    3.003000      0.6255000                  ?       ?   3.003000      0.6255000                  ?              ?
  1 1 1      29   12   23 o    2.999000      0.3986000       2.722000 0.6573000       3.276000      0.4511000     -0.5541000      0.7972000
  1 1 1      29   12   24 o    2.307000      0.5628000       2.492000 0.8307000       2.122000      0.7596000      0.3702000       1.126000
  1 1 1      29   13    0 o    2.277000      0.5864000       1.819000 0.8072000       2.735000      0.8508000     -0.9159000       1.173000
  1 1 1      29   13    1 o    5.257000      0.4176000       5.135000 0.6071000       5.380000      0.5735000     -0.2450000      0.8351000
  1 1 1      29   13    2 o    3.655000      0.5536000       4.211000 0.7276000       3.099000      0.8347000       1.112000       1.107000
  1 1 1      29   13    3 o    10.50000      0.2763000       10.51000 0.4016000       10.50000      0.3797000      0.1282000E-01  0.5526000
  1 1 1      29   13    4 o    6.470000      0.3475000       6.061000 0.5273000       6.879000      0.4527000     -0.8175000      0.6949000
  1 1 1      29   13    5 o    3.213000      0.7215000       3.727000 1.092000       2.699000      0.9429000       1.029000       1.443000
  1 1 1      29   13    6 o    16.19000      0.3980000       15.78000 0.5746000       16.60000      0.5509000     -0.8285000      0.7961000
  1 1 1      29   13    7 o    12.37000      0.2653000       12.45000 0.3831000       12.29000      0.3671000      0.1626000      0.5306000
  1 1 1      29   13    8 o    11.67000      0.3795000       11.94000 0.5373000       11.40000      0.5360000      0.5397000      0.7590000
  1 1 1      29   13    9 o    6.848000      0.4523000       6.906000 0.6194000       6.790000      0.6593000      0.1162000      0.9046000
  1 1 1      29   13   10 o    4.223000      0.4581000       3.961000 0.7011000       4.484000      0.5899000     -0.5225000      0.9163000
  1 1 1      29   13   11 o    11.85000      0.2573000       12.03000 0.3747000       11.67000      0.3526000      0.3532000      0.5145000
  1 1 1      29   13   12 o    10.49000      0.2571000       10.94000 0.3712000       10.03000      0.3557000      0.9099000      0.5141000
  1 1 1      29   13   13 o    3.454000      0.5159000       3.845000 0.6858000       3.063000      0.7709000      0.7818000       1.032000
  1 1 1      29   13   14 o    2.051000      0.5721000       2.229000 0.8468000       1.873000      0.7694000      0.3560000       1.144000
  1 1 1      29   13   15 o    5.514000      0.3458000       5.271000 0.5317000       5.756000      0.4421000     -0.4852000      0.6915000
  1 1 1      29   13   16 o    7.550000      0.2656000       7.624000 0.3922000       7.477000      0.3583000      0.1476000      0.5312000
  1 1 1      29   13   17 o    11.13000      0.2340000       11.08000 0.3437000       11.17000      0.3176000     -0.9011000E-01  0.4680000
  1 1 1      29   13   18 o    7.349000      0.2506000       7.062000 0.3751000       7.637000      0.3323000     -0.5748000      0.5011000
  1 1 1      29   13   19 f    3.027000      0.4800000       2.761000 0.7584000       3.294000      0.5886000     -0.5331000      0.9600000
  1 1 1      29   13   20 o    1.875000      0.5093000       1.931000 0.7347000       1.819000      0.7055000      0.1122000       1.019000
  1 1 1      29   13   21 o    6.749000      0.2329000       6.790000 0.3349000       6.708000      0.3236000      0.8183000E-01  0.4657000
  1 1 1      29   13   22 f    2.991000      0.5369000       3.055000 0.8232000       2.927000      0.6894000      0.1276000       1.074000
  1 1 1      29   13   23 o    1.853000      0.5200000       1.583000 0.7310000       2.124000      0.7397000     -0.5416000       1.040000
  1 1 1      29   13   24 o    3.144000      0.4957000       3.393000 0.5706000       2.895000      0.8106000      0.4977000      0.9913000
  1 1 1      29   14    0 o    4.611000      0.4698000       4.769000 0.6885000       4.454000      0.6394000      0.3145000      0.9396000
  1 1 1      29   14    1 o    5.928000      0.3775000       5.560000 0.5771000       6.297000      0.4868000     -0.7371000      0.7550000
  1 1 1      29   14    2 o    3.435000      0.5600000       2.453000 0.9011000       4.417000      0.6649000      -1.963000       1.120000
  1 1 1      29   14    3 o    9.557000      0.2881000       9.655000 0.4241000       9.458000      0.3900000      0.1964000      0.5762000
  1 1 1      29   14    4 o    2.405000      0.5736000       1.769000 0.7905000       3.041000      0.8313000      -1.271000       1.147000
  1 1 1      29   14    5 o    6.145000      0.3757000       5.625000 0.5835000       6.665000      0.4735000      -1.040000      0.7515000
  1 1 1      29   14    6 o    17.34000      0.4153000       17.54000 0.6066000       17.14000      0.5674000      0.4053000      0.8306000
  1 1 1      29   14    7 o    9.279000      0.2824000       9.310000 0.4099000       9.248000      0.3886000      0.6154000E-01  0.5648000
  1 1 1      29   14    8 o    5.461000      0.3806000       5.452000 0.5746000       5.470000      0.4992000     -0.1802000E-01  0.7612000
  1 1 1      29   14    9 o    2.627000      0.7109000       2.453000 0.9822000       2.800000       1.028000     -0.3469000       1.422000
  1 1 1      29   14   10 o    4.179000      0.5908000       4.109000 0.7009000       4.249000      0.9513000     -0.1393000       1.182000
  1 1 1      29   14   11 o    6.714000      0.3118000       6.636000 0.4620000       6.792000      0.4187000     -0.1562000      0.6236000
  1 1 1      29   14   12 f    4.907000      0.4110000       5.593000 0.5408000       4.220000      0.6189000       1.373000      0.8219000
  1 1 1      29   14   13 o    3.571000      0.5361000       3.173000 0.8640000       3.969000      0.6350000     -0.7965000       1.072000
  1 1 1      29   14   14 o    2.239000      0.5805000       2.108000 0.8403000       2.369000      0.8010000     -0.2610000       1.161000
  1 1 1      29   14   15 o    2.872000      0.5285000       2.242000 0.8447000       3.502000      0.6353000      -1.260000       1.057000
  1 1 1      29   14   16 o    3.945000      0.4437000       3.931000 0.6686000       3.958000      0.5835000     -0.2695000E-01  0.8875000
  1 1 1      29   14   17 o    14.10000      0.2526000       14.16000 0.3654000       14.05000      0.3490000      0.1138000      0.5053000
  1 1 1      29   14   18 o    1.745000      0.5153000       1.982000 0.7901000       1.507000      0.6616000      0.4750000       1.031000
  1 1 1      29   14   19 o    3.669000      0.4182000       3.489000 0.6639000       3.850000      0.5087000     -0.3604000      0.8364000
  1 1 1      29   14   20 o    4.043000      0.3607000       4.036000 0.5466000       4.051000      0.4709000     -0.1451000E-01  0.7215000
  1 1 1      29   14   21 o    1.702000      0.4858000       1.660000 0.6971000       1.744000      0.6767000     -0.8454000E-01  0.9716000
  1 1 1      29   14   22 o    3.536000      0.3940000       3.358000 0.6326000       3.714000      0.4697000     -0.3567000      0.7879000
  1 1 1      29   14   23 o    1.618000      0.5099000       1.606000 0.7412000       1.631000      0.7005000     -0.2454000E-01   1.020000
  1 1 1      29   14   24 o    7.288000      0.2926000       6.901000 0.4633000       7.674000      0.3577000     -0.7730000      0.5853000
  1 1 1      29   15    0 o    2.734000      0.6242000       2.391000 0.9157000       3.078000      0.8486000     -0.6869000       1.248000
  1 1 1      29   15    1 o    6.476000      0.3589000       6.630000 0.5225000       6.323000      0.4922000      0.3073000      0.7178000
  1 1 1      29   15    2 o    6.714000      0.3485000       6.876000 0.5044000       6.553000      0.4811000      0.3230000      0.6970000
  1 1 1      29   15    3 o    7.567000      0.3236000       7.630000 0.4708000       7.504000      0.4440000      0.1262000      0.6471000
  1 1 1      29   15    4 o    3.248000      0.5591000       4.353000 0.7177000       2.143000      0.8574000       2.210000       1.118000
  1 1 1      29   15    5 o    7.983000      0.3119000       8.287000 0.4489000       7.678000      0.4332000      0.6086000      0.6238000
  1 1 1      29   15    6 o    12.85000      0.3743000       13.47000 0.5628000       12.23000      0.4935000       1.238000      0.7485000
  1 1 1      29   15    7 o    3.039000      0.7234000       3.361000 1.102000       2.718000      0.9380000      0.6429000       1.447000
  1 1 1      29   15    8 o    2.713000      0.5486000       1.857000 0.8181000       3.568000      0.7310000      -1.711000       1.097000
  1 1 1      29   15    9 o    1.717000      0.5203000       2.022000 0.8050000       1.412000      0.6593000      0.6099000       1.041000
  1 1 1      29   15   10 o    3.038000      0.7330000       2.375000 0.9967000       3.701000       1.075000      -1.326000       1.466000
  1 1 1      29   15   11 o    6.807000      0.3154000       6.941000 0.4559000       6.673000      0.4359000      0.2680000      0.6308000
  1 1 1      29   15   12 o    6.124000      0.3484000       5.884000 0.5395000       6.363000      0.4409000     -0.4785000      0.6968000
  1 1 1      29   15   13 o    2.909000      0.5863000       2.995000 0.8697000       2.824000      0.7864000      0.1713000       1.173000
  1 1 1      29   15   14 o    2.825000      0.5802000       2.989000 0.8546000       2.661000      0.7849000      0.3285000       1.160000
  1 1 1      29   15   15 o    3.422000      0.5191000       3.827000 0.7336000       3.016000      0.7346000      0.8118000       1.038000
  1 1 1      29   15   16 o    4.120000      0.4397000       4.208000 0.6775000       4.031000      0.5608000      0.1774000      0.8795000
  1 1 1      29   15   17 o    10.17000      0.2457000       10.23000 0.3598000       10.10000      0.3347000      0.1345000      0.4914000
  1 1 1      29   15   18 o    7.763000      0.2518000       7.922000 0.3750000       7.604000      0.3361000      0.3181000      0.5035000
  1 1 1      29   15   19 o    5.585000      0.3030000       5.188000 0.4757000       5.983000      0.3755000     -0.7945000      0.6061000
  1 1 1      29   15   20 f    2.192000      0.5204000       2.097000 0.7742000       2.286000      0.6955000     -0.1890000       1.041000
  1 1 1      29   15   21 o    2.361000      0.5272000       2.191000 0.7585000       2.531000      0.7323000     -0.3398000       1.054000
  1 1 1      29   15   22 o    3.165000      0.4289000       2.805000 0.6930000       3.524000      0.5054000     -0.7191000      0.8578000
  1 1 1      29   15   23 f    1.951000      0.4894000       1.778000 0.7109000       2.124000      0.6727000     -0.3462000      0.9787000
  1 1 1      29   16    0 o    8.357000      0.3182000       8.623000 0.4571000       8.090000      0.4427000      0.5332000      0.6363000
  1 1 1      29   16    1 o    13.29000      0.2839000       13.39000 0.4097000       13.20000      0.3931000      0.1895000      0.5678000
  1 1 1      29   16    2 o    11.86000      0.2808000       11.76000 0.4045000       11.96000      0.3896000     -0.1970000      0.5616000
  1 1 1      29   16    3 f    7.631000      0.3250000       7.485000 0.4867000       7.777000      0.4307000     -0.2911000      0.6499000
  1 1 1      29   16    4 o    2.715000      0.6193000       3.335000 0.9188000       2.096000      0.8305000       1.239000       1.239000
  1 1 1      29   16    5 o    7.225000      0.3286000       7.474000 0.4675000       6.975000      0.4619000      0.4983000      0.6572000
  1 1 1      29   16    6 o    9.826000      0.2823000       9.752000 0.4179000       9.900000      0.3797000     -0.1483000      0.5646000
  1 1 1      29   16    7 o    2.669000      0.7051000       3.328000 1.109000       2.009000      0.8716000       1.320000       1.410000
  1 1 1      29   16    8 o    8.431000      0.2918000       7.753000 0.4426000       9.109000      0.3805000      -1.356000      0.5837000
  1 1 1      29   16    9 f    2.651000      0.6200000       2.868000 0.9164000       2.435000      0.8355000      0.4335000       1.240000
  1 1 1      29   16   10 f    1.796000      0.6040000       1.651000 0.7965000       1.940000      0.9083000     -0.2886000       1.208000
  1 1 1      29   16   11 o    7.427000      0.4917000       8.103000 0.6038000       6.750000      0.7763000       1.352000      0.9834000
  1 1 1      29   16   12 o    3.742000      0.5157000       3.568000 0.8024000       3.916000      0.6480000     -0.3478000       1.031000
  1 1 1      29   16   13 o    8.247000      0.2751000       8.565000 0.4021000       7.928000      0.3756000      0.6374000      0.5503000
  1 1 1      29   16   14 o    2.300000      0.5818000       2.627000 0.8668000       1.973000      0.7763000      0.6541000       1.164000
  1 1 1      29   16   15 o    2.533000      0.5869000       2.674000 0.8641000       2.392000      0.7944000      0.2818000       1.174000
  1 1 1      29   16   16 o    3.889000      0.4684000       4.478000 0.6138000       3.300000      0.7076000       1.178000      0.9368000
  1 1 1      29   16   17 o    1.937000      0.5405000       1.858000 0.7871000       2.016000      0.7411000     -0.1581000       1.081000
  1 1 1      29   16   18 o    6.377000      0.2855000       6.593000 0.4266000       6.162000      0.3794000      0.4319000      0.5709000
  1 1 1      29   16   19 o    1.979000      0.5359000       2.328000 0.8272000       1.630000      0.6815000      0.6981000       1.072000
  1 1 1      29   16   20 o    2.641000      0.5242000       2.255000 0.7880000       3.027000      0.6916000     -0.7713000       1.048000
  1 1 1      29   16   21 o    2.846000      0.7370000       2.846000 0.7370000                  ?              ?              ?              ?
  1 1 1      29   16   22 o    2.675000      0.4407000       1.832000 0.7127000       3.519000      0.5186000      -1.686000      0.8814000
  1 1 1      29   16   23 o    4.104000      0.4904000       3.914000 0.7174000       4.295000      0.6687000     -0.3818000      0.9807000
  1 1 1      29   17    0 o    6.078000      0.3957000       6.280000 0.5669000       5.875000      0.5523000      0.4046000      0.7915000
  1 1 1      29   17    1 o    6.264000      0.3805000       6.122000 0.5693000       6.406000      0.5049000     -0.2847000      0.7610000
  1 1 1      29   17    2 o    5.912000      0.3961000       5.607000 0.5955000       6.216000      0.5226000     -0.6095000      0.7923000
  1 1 1      29   17    3 o    6.661000      0.3475000       7.109000 0.4800000       6.212000      0.5027000      0.8969000      0.6951000
  1 1 1      29   17    4 o    2.396000      0.6120000       2.098000 0.8643000       2.693000      0.8667000     -0.5956000       1.224000
  1 1 1      29   17    5 o    9.461000      0.2878000       9.460000 0.4215000       9.463000      0.3921000     -0.2295000E-02  0.5756000
  1 1 1      29   17    6 o    2.761000      0.6287000       3.016000 0.9105000       2.506000      0.8671000      0.5096000       1.257000
  1 1 1      29   17    7 o    7.163000      0.3301000       7.028000 0.4986000       7.297000      0.4329000     -0.2693000      0.6603000
  1 1 1      29   17    8 o    13.42000      0.3702000       13.62000 0.5597000       13.22000      0.4847000      0.3996000      0.7404000
  1 1 1      29   17    9 o    3.163000      0.5999000       2.984000 0.9022000       3.342000      0.7908000     -0.3582000       1.200000
  1 1 1      29   17   10 o    2.785000      0.6079000       2.571000 0.9055000       2.998000      0.8114000     -0.4268000       1.216000
  1 1 1      29   17   11 o    3.896000      0.6675000       5.323000 0.8450000       2.469000       1.034000       2.855000       1.335000
  1 1 1      29   17   12 o    2.706000      0.7353000       2.186000 0.9561000       3.225000       1.117000      -1.038000       1.471000
  1 1 1      29   17   13 o    7.911000      0.2871000       7.700000 0.4347000       8.122000      0.3750000     -0.4219000      0.5742000
  1 1 1      29   17   14 o    2.666000      0.5950000       2.908000 0.8786000       2.424000      0.8027000      0.4840000       1.190000
  1 1 1      29   17   15 o    6.292000      0.3129000       6.341000 0.4663000       6.242000      0.4174000      0.9927000E-01  0.6258000
  1 1 1      29   17   16 o    6.954000      0.2902000       6.678000 0.4442000       7.230000      0.3737000     -0.5527000      0.5804000
  1 1 1      29   17   17 o    4.312000      0.4104000       4.140000 0.6657000       4.484000      0.4802000     -0.3444000      0.8208000
  1 1 1      29   17   18 o    3.199000      0.4950000       2.679000 0.8241000       3.720000      0.5485000      -1.041000      0.9899000
  1 1 1      29   17   19 o    3.921000      0.4145000       4.366000 0.5716000       3.476000      0.6005000      0.8896000      0.8290000
  1 1 1      29   17   20 o    4.250000      0.3918000       4.186000 0.6176000       4.314000      0.4823000     -0.1281000      0.7836000
  1 1 1      29   17   21 o    2.185000      0.7720000       2.185000 0.7720000                  ?              ?              ?              ?
  1 1 1      29   17   22 o    2.952000      0.4686000       2.845000 0.6994000       3.058000      0.6238000     -0.2137000      0.9372000
  1 1 1      29   17   23 o    2.967000      0.6534000                  ?       ?   2.967000      0.6534000                  ?              ?
  1 1 1      29   18    0 o    7.990000      0.3403000       7.813000 0.5063000       8.168000      0.4548000     -0.3552000      0.6806000
  1 1 1      29   18    1 o    10.15000      0.2997000       10.15000 0.4313000       10.15000      0.4162000     -0.2132000E-02  0.5993000
  1 1 1      29   18    2 o    11.96000      0.2857000       12.07000 0.4091000       11.85000      0.3988000      0.2266000      0.5713000
  1 1 1      29   18    3 o    8.431000      0.3122000       8.398000 0.4510000       8.463000      0.4319000     -0.6525000E-01  0.6245000
  1 1 1      29   18    4 o    2.734000      0.6074000       2.051000 0.8626000       3.418000      0.8553000      -1.367000       1.215000
  1 1 1      29   18    5 o    9.929000      0.2848000       9.937000 0.4102000       9.920000      0.3951000      0.1729000E-01  0.5696000
  1 1 1      29   18    6 o    1.601000      0.5213000       1.842000 0.8124000       1.360000      0.6535000      0.4827000       1.043000
  1 1 1      29   18    7 o    2.206000      0.6185000       2.202000 0.8934000       2.211000      0.8556000     -0.8135000E-02   1.237000
  1 1 1      29   18    8 o    5.942000      0.3827000       5.131000 0.6280000       6.754000      0.4375000      -1.624000      0.7654000
  1 1 1      29   18    9 o    7.335000      0.4267000       6.888000 0.6948000       7.782000      0.4955000     -0.8935000      0.8534000
  1 1 1      29   18   10 o    1.706000      0.5331000       1.720000 0.7736000       1.691000      0.7336000      0.2921000E-01   1.066000
  1 1 1      29   18   11 o    6.932000      0.3166000       7.001000 0.4767000       6.862000      0.4168000      0.1388000      0.6332000
  1 1 1      29   18   12 o    5.422000      0.6249000       4.938000 0.9414000       5.906000      0.8221000     -0.9679000       1.250000
  1 1 1      29   18   13 o    4.331000      0.7227000       3.711000 1.054000       4.951000      0.9897000      -1.240000       1.445000
  1 1 1      29   18   14 o    5.700000      0.3439000       5.373000 0.5516000       6.028000      0.4111000     -0.6551000      0.6879000
  1 1 1      29   18   15 o    3.299000      0.5281000       3.794000 0.7424000       2.803000      0.7514000      0.9910000       1.056000
  1 1 1      29   18   16 o    7.242000      0.2801000       7.269000 0.4225000       7.216000      0.3679000      0.5316000E-01  0.5602000
  1 1 1      29   18   17 o    3.424000      0.5137000       3.315000 0.8287000       3.533000      0.6073000     -0.2172000       1.027000
  1 1 1      29   18   18 o    6.530000      0.3468000       6.970000 0.5679000       6.091000      0.3983000      0.8786000      0.6937000
  1 1 1      29   18   19 o    3.200000      0.5072000       2.375000 0.8489000       4.026000      0.5553000      -1.652000       1.014000
  1 1 1      29   18   20 o    2.504000      0.5491000       2.246000 0.8265000       2.763000      0.7233000     -0.5166000       1.098000
  1 1 1      29   18   21 o    3.619000      0.4364000       3.986000 0.6156000       3.251000      0.6186000      0.7352000      0.8727000
  1 1 1      29   18   22 o    3.521000      0.4477000       3.295000 0.6903000       3.747000      0.5702000     -0.4514000      0.8953000
  1 1 1      29   18   23 o    1.780000      0.5385000       2.175000 0.8693000       1.386000      0.6360000      0.7885000       1.077000
  1 1 1      29   19    0 o    3.870000      0.6011000       4.332000 0.8124000       3.408000      0.8862000      0.9231000       1.202000
  1 1 1      29   19    1 o    4.150000      0.5669000       3.768000 0.9048000       4.532000      0.6831000     -0.7634000       1.134000
  1 1 1      29   19    2 o    4.177000      0.5383000       3.911000 0.8422000       4.443000      0.6705000     -0.5316000       1.077000
  1 1 1      29   19    3 o    5.321000      0.4303000       5.089000 0.6545000       5.553000      0.5588000     -0.4635000      0.8606000
  1 1 1      29   19    4 o    4.646000      0.4773000       5.046000 0.6457000       4.246000      0.7031000      0.8002000      0.9546000
  1 1 1      29   19    5 o    7.933000      0.3198000       7.683000 0.4750000       8.183000      0.4284000     -0.4997000      0.6396000
  1 1 1      29   19    6 o    9.403000      0.2885000       9.373000 0.4297000       9.433000      0.3853000     -0.5972000E-01  0.5771000
  1 1 1      29   19    7 o    7.196000      0.3199000       7.266000 0.4720000       7.126000      0.4319000      0.1397000      0.6398000
  1 1 1      29   19    8 o    3.745000      0.5501000       3.771000 0.8117000       3.720000      0.7428000      0.5156000E-01   1.100000
  1 1 1      29   19    9 o    9.421000      0.2863000       9.253000 0.4320000       9.590000      0.3758000     -0.3369000      0.5726000
  1 1 1      29   19   10 o    3.322000      0.6261000       4.664000 0.9448000       1.980000      0.8218000       2.683000       1.252000
  1 1 1      29   19   11 o    4.933000      0.5161000       4.659000 0.9210000       5.207000      0.4661000     -0.5480000       1.032000
  1 1 1      29   19   12 f    2.739000      0.5548000       2.093000 0.8463000       3.384000      0.7177000      -1.291000       1.110000
  1 1 1      29   19   13 o    2.177000      0.5836000       2.576000 0.9019000       1.778000      0.7409000      0.7983000       1.167000
  1 1 1      29   19   14 o    6.100000      0.5524000       5.923000 0.7503000       6.277000      0.8110000     -0.3537000       1.105000
  1 1 1      29   19   15 o    4.184000      0.7183000       4.707000 0.8811000       3.660000       1.135000       1.047000       1.437000
  1 1 1      29   19   16 o    4.645000      0.4208000       4.185000 0.7013000       5.105000      0.4651000     -0.9201000      0.8415000
  1 1 1      29   19   17 o    2.057000      0.5546000       2.521000 0.8696000       1.593000      0.6886000      0.9279000       1.109000
  1 1 1      29   19   18 o    6.474000      0.3041000       6.425000 0.4615000       6.523000      0.3962000     -0.9795000E-01  0.6082000
  1 1 1      29   19   19 o    2.978000      0.5568000       3.056000 0.8187000       2.900000      0.7548000      0.1560000       1.114000
  1 1 1      29   19   20 o    4.272000      0.3879000       4.451000 0.5492000       4.094000      0.5480000      0.3569000      0.7758000
  1 1 1      29   19   21 o    4.754000      0.3544000       4.734000 0.5263000       4.774000      0.4747000     -0.4012000E-01  0.7087000
  1 1 1      29   19   22 o    2.155000      0.5614000       2.222000 0.8216000       2.088000      0.7654000      0.1334000       1.123000
  1 1 1      29   19   23 o    1.767000      0.5534000       1.511000 0.6914000       2.023000      0.8643000     -0.5120000       1.107000
  1 1 1      29   20    0 o    6.881000      0.3831000       6.421000 0.5833000       7.341000      0.4967000     -0.9195000      0.7661000
  1 1 1      29   20    1 o    2.625000      0.6601000       2.758000 0.9656000       2.492000      0.9003000      0.2663000       1.320000
  1 1 1      29   20    2 o    9.826000      0.3399000       10.30000 0.4285000       9.348000      0.5279000      0.9568000      0.6799000
  1 1 1      29   20    3 o    6.961000      0.3600000       6.561000 0.5597000       7.360000      0.4528000     -0.7990000      0.7199000
  1 1 1      29   20    4 o    7.311000      0.3417000       7.217000 0.5123000       7.404000      0.4524000     -0.1876000      0.6835000
  1 1 1      29   20    5 o    2.465000      0.6263000       2.708000 0.9077000       2.223000      0.8632000      0.4842000       1.253000
  1 1 1      29   20    6 o    2.464000      0.6407000       2.401000 0.9141000       2.528000      0.8981000     -0.1262000       1.281000
  1 1 1      29   20    7 o    7.080000      0.3264000       7.174000 0.4728000       6.986000      0.4501000      0.1881000      0.6528000
  1 1 1      29   20    8 o    2.708000      0.6269000       2.652000 0.9273000       2.763000      0.8440000     -0.1103000       1.254000
  1 1 1      29   20    9 o    9.532000      0.2772000       9.934000 0.4017000       9.131000      0.3820000      0.8030000      0.5543000
  1 1 1      29   20   10 f    2.125000      0.5930000       2.070000 0.8618000       2.181000      0.8148000     -0.1111000       1.186000
  1 1 1      29   20   11 o    3.288000      0.6929000       3.687000 1.084000       2.889000      0.8633000      0.7983000       1.386000
  1 1 1      29   20   12 o    5.704000      0.4675000       5.386000 0.7793000       6.023000      0.5167000     -0.6369000      0.9351000
  1 1 1      29   20   13 o    4.124000      0.4996000       3.553000 0.8544000       4.694000      0.5179000      -1.141000      0.9991000
  1 1 1      29   20   14 o    3.967000      0.5001000       3.370000 0.8562000       4.564000      0.5172000      -1.194000       1.000000
  1 1 1      29   20   15 o    5.062000      0.4847000       5.395000 0.8729000       4.728000      0.4216000      0.6665000      0.9694000
  1 1 1      29   20   16 o    3.968000      0.7701000       3.534000 1.038000       4.402000       1.138000     -0.8688000       1.540000
  1 1 1      29   20   17 o    4.445000      0.7390000       4.171000 0.9903000       4.719000       1.097000     -0.5482000       1.478000
  1 1 1      29   20   18 o    5.789000      0.3325000       5.932000 0.4856000       5.646000      0.4545000      0.2854000      0.6651000
  1 1 1      29   20   19 o    4.043000      0.4624000       3.684000 0.7493000       4.401000      0.5421000     -0.7165000      0.9249000
  1 1 1      29   20   20 o    5.521000      0.3272000       5.633000 0.4675000       5.408000      0.4580000      0.2248000      0.6544000
  1 1 1      29   20   21 o    3.437000      0.5150000       3.158000 0.7935000       3.716000      0.6568000     -0.5588000       1.030000
  1 1 1      29   20   22 o    1.809000      0.5315000       2.075000 0.8080000       1.544000      0.6909000      0.5310000       1.063000
  1 1 1      29   21    0 f    8.151000      0.3367000       8.357000 0.4783000       7.945000      0.4742000      0.4117000      0.6735000
  1 1 1      29   21    1 o    2.292000      0.6367000       2.264000 0.9226000       2.321000      0.8776000     -0.5719000E-01   1.273000
  1 1 1      29   21    2 o    13.44000      0.2840000       13.61000 0.4037000       13.27000      0.3996000      0.3403000      0.5681000
  1 1 1      29   21    3 o    1.690000      0.5438000       1.705000 0.7777000       1.675000      0.7604000      0.2993000E-01   1.088000
  1 1 1      29   21    4 o    3.242000      0.6276000       3.517000 0.9143000       2.967000      0.8598000      0.5502000       1.255000
  1 1 1      29   21    5 o    8.359000      0.3108000       8.304000 0.4540000       8.414000      0.4245000     -0.1105000      0.6215000
  1 1 1      29   21    6 o    2.492000      0.6144000       2.121000 0.8699000       2.864000      0.8678000     -0.7432000       1.229000
  1 1 1      29   21    7 o    8.390000      0.3048000       8.007000 0.4613000       8.774000      0.3984000     -0.7673000      0.6095000
  1 1 1      29   21    8 o    3.997000      0.5188000       4.238000 0.7617000       3.756000      0.7046000      0.4818000       1.038000
  1 1 1      29   21    9 o    4.416000      0.4928000       3.785000 0.8154000       5.047000      0.5536000      -1.262000      0.9856000
  1 1 1      29   21   10 o    2.708000      0.5580000       2.100000 0.8611000       3.315000      0.7100000      -1.215000       1.116000
  1 1 1      29   21   11 o    2.033000      0.5710000       2.496000 0.8960000       1.570000      0.7079000      0.9268000       1.142000
  1 1 1      29   21   12 o    8.707000      0.2812000       8.278000 0.4186000       9.135000      0.3755000     -0.8568000      0.5624000
  1 1 1      29   21   13 o    6.942000      0.4145000       6.637000 0.6977000       7.246000      0.4476000     -0.6091000      0.8289000
  1 1 1      29   21   14 o    6.362000      0.4547000       5.801000 0.7830000       6.924000      0.4627000      -1.123000      0.9095000
  1 1 1      29   21   15 o    5.332000      0.3758000       5.420000 0.5600000       5.244000      0.5013000      0.1765000      0.7516000
  1 1 1      29   21   16 o    4.105000      0.4645000       3.869000 0.7393000       4.340000      0.5626000     -0.4711000      0.9290000
  1 1 1      29   21   17 o    2.309000      0.6235000       2.590000 1.008000       2.028000      0.7338000      0.5621000       1.247000
  1 1 1      29   21   18 o    2.474000      0.7068000       2.255000 0.9409000       2.694000       1.055000     -0.4387000       1.414000
  1 1 1      29   21   19 o    3.200000      0.7028000       3.578000 0.9586000       2.822000       1.028000      0.7557000       1.406000
  1 1 1      29   21   20 o    1.766000      0.5389000       1.729000 0.7595000       1.803000      0.7647000     -0.7381000E-01   1.078000
  1 1 1      29   21   21 o    2.941000      0.5763000       3.141000 0.8312000       2.740000      0.7985000      0.4008000       1.153000
  1 1 1      29   21   22 o    3.882000      0.7078000       3.882000 0.7078000                  ?              ?              ?              ?
  1 1 1      29   22    0 o    3.775000      0.6098000       3.060000 0.9583000       4.489000      0.7544000      -1.429000       1.220000
  1 1 1      29   22    1 o    4.451000      0.5489000       4.480000 0.8089000       4.422000      0.7423000      0.5780000E-01   1.098000
  1 1 1      29   22    2 o    4.704000      0.5072000       4.623000 0.7717000       4.784000      0.6583000     -0.1610000       1.014000
  1 1 1      29   22    3 o    7.945000      0.3300000       8.078000 0.4886000       7.812000      0.4436000      0.2657000      0.6599000
  1 1 1      29   22    4 o    4.148000      0.5253000       4.650000 0.7447000       3.646000      0.7411000       1.004000       1.051000
  1 1 1      29   22    5 o    5.932000      0.3884000       5.737000 0.5940000       6.126000      0.5005000     -0.3899000      0.7767000
  1 1 1      29   22    6 o    5.165000      0.4844000       4.168000 0.8378000       6.161000      0.4863000      -1.993000      0.9687000
  1 1 1      29   22    7 o    6.745000      0.3571000       6.317000 0.5604000       7.174000      0.4428000     -0.8574000      0.7143000
  1 1 1      29   22    8 o    3.967000      0.5250000       3.880000 0.8256000       4.054000      0.6488000     -0.1739000       1.050000
  1 1 1      29   22    9 o    3.642000      0.5448000       4.150000 0.7615000       3.134000      0.7794000       1.017000       1.090000
  1 1 1      29   22   10 o    3.753000      0.5390000       3.055000 0.9056000       4.451000      0.5847000      -1.396000       1.078000
  1 1 1      29   22   11 o    2.812000      0.6160000       2.961000 0.9131000       2.662000      0.8270000      0.2987000       1.232000
  1 1 1      29   22   12 o    1.607000      0.5137000       2.114000 0.8693000       1.100000      0.5478000       1.014000       1.027000
  1 1 1      29   22   13 o    1.927000      0.5663000       1.936000 0.8261000       1.918000      0.7748000      0.1846000E-01   1.133000
  1 1 1      29   22   14 o    3.005000      0.5584000       2.447000 0.8766000       3.563000      0.6920000      -1.116000       1.117000
  1 1 1      29   22   15 o    3.225000      0.6284000       2.685000 1.044000       3.765000      0.6994000      -1.079000       1.257000
  1 1 1      29   22   16 o    5.392000      0.4731000       5.650000 0.7592000       5.134000      0.5647000      0.5159000      0.9462000
  1 1 1      29   22   17 o    5.144000      0.3917000       4.685000 0.6161000       5.604000      0.4839000     -0.9196000      0.7834000
  1 1 1      29   22   18 o    2.084000      0.5732000       1.983000 0.8167000       2.186000      0.8046000     -0.2028000       1.146000
  1 1 1      29   22   19 o    2.346000      0.5789000       1.989000 0.8179000       2.702000      0.8196000     -0.7133000       1.158000
  1 1 1      29   22   20 o    2.464000      0.7000000       2.588000 0.9933000       2.340000      0.9865000      0.2481000       1.400000
  1 1 1      29   22   21 o    2.192000      0.6690000       1.885000 0.8676000       2.498000       1.019000     -0.6136000       1.338000
  1 1 1      29   23    0 o    4.168000      0.5836000       3.837000 0.9040000       4.498000      0.7384000     -0.6612000       1.167000
  1 1 1      29   23    1 o    2.679000      0.6615000       3.208000 0.9879000       2.149000      0.8799000       1.059000       1.323000
  1 1 1      29   23    2 o    7.846000      0.3443000       8.158000 0.5124000       7.533000      0.4601000      0.6240000      0.6887000
  1 1 1      29   23    3 o    4.318000      0.5580000       4.358000 0.8549000       4.279000      0.7175000      0.7825000E-01   1.116000
  1 1 1      29   23    4 o    3.651000      0.5961000       4.093000 0.8300000       3.210000      0.8559000      0.8830000       1.192000
  1 1 1      29   23    5 o    3.801000      0.5928000       3.719000 0.9000000       3.883000      0.7717000     -0.1641000       1.186000
  1 1 1      29   23    6 f    3.634000      0.5673000       3.152000 0.9448000       4.116000      0.6284000     -0.9644000       1.135000
  1 1 1      29   23    7 o    2.712000      0.6235000       2.547000 0.9284000       2.877000      0.8326000     -0.3297000       1.247000
  1 1 1      29   23    8 o    6.922000      0.3406000       6.631000 0.5287000       7.212000      0.4296000     -0.5813000      0.6813000
  1 1 1      29   23    9 o    5.085000      0.4302000       4.649000 0.6992000       5.521000      0.5013000     -0.8726000      0.8603000
  1 1 1      29   23   10 o    1.917000      0.5774000       1.951000 0.8408000       1.883000      0.7916000      0.6810000E-01   1.155000
  1 1 1      29   23   11 o    6.537000      0.3350000       6.380000 0.5158000       6.694000      0.4275000     -0.3145000      0.6700000
  1 1 1      29   23   12 o    3.333000      0.5669000       3.888000 0.7731000       2.777000      0.8293000       1.111000       1.134000
  1 1 1      29   23   13 o    3.174000      0.5655000       3.817000 0.7800000       2.531000      0.8190000       1.286000       1.131000
  1 1 1      29   23   14 o    2.942000      0.5956000       2.955000 0.9015000       2.930000      0.7784000      0.2530000E-01   1.191000
  1 1 1      29   23   15 o    2.492000      0.6113000       2.483000 0.8949000       2.501000      0.8330000     -0.1844000E-01   1.223000
  1 1 1      29   23   16 o    6.440000      0.3938000       6.793000 0.6398000       6.087000      0.4592000      0.7064000      0.7876000
  1 1 1      29   23   17 o    4.767000      0.5799000       3.923000 1.020000       5.612000      0.5519000      -1.689000       1.160000
  1 1 1      29   23   18 o    5.102000      0.5239000       4.960000 0.8300000       5.243000      0.6396000     -0.2833000       1.048000
  1 1 1      29   23   19 f    5.129000      0.5469000       6.289000 0.7118000       3.968000      0.8305000       2.321000       1.094000
  1 1 1      29   23   20 o    2.668000      0.5979000       2.438000 0.8802000       2.899000      0.8095000     -0.4606000       1.196000
  1 1 1      29   23   21 o    2.619000      0.6606000       2.947000 0.8844000       2.292000      0.9815000      0.6550000       1.321000
  1 1 1      29   24    0 o    2.960000      0.6719000       2.752000 1.013000       3.167000      0.8827000     -0.4147000       1.344000
  1 1 1      29   24    1 o    2.842000      0.6739000       2.682000 1.000000       3.002000      0.9034000     -0.3203000       1.348000
  1 1 1      29   24    2 o    3.632000      0.6474000       3.402000 0.9984000       3.862000      0.8244000     -0.4598000       1.295000
  1 1 1      29   24    3 o    8.591000      0.3272000       8.605000 0.4913000       8.577000      0.4324000      0.2786000E-01  0.6544000
  1 1 1      29   24    4 o    2.232000      0.6238000       2.146000 0.8939000       2.318000      0.8703000     -0.1718000       1.248000
  1 1 1      29   24    5 o    2.101000      0.6153000       2.143000 0.9038000       2.060000      0.8351000      0.8287000E-01   1.231000
  1 1 1      29   24    6 o    3.961000      0.5490000       2.906000 0.9570000       5.016000      0.5384000      -2.110000       1.098000
  1 1 1      29   24    7 o    7.076000      0.3421000       7.411000 0.4925000       6.740000      0.4749000      0.6715000      0.6841000
  1 1 1      29   24    8 o    8.411000      0.3071000       8.551000 0.4556000       8.271000      0.4120000      0.2795000      0.6142000
  1 1 1      29   24    9 o    4.734000      0.4675000       4.723000 0.7147000       4.744000      0.6028000     -0.2124000E-01  0.9350000
  1 1 1      29   24   10 o    6.199000      0.3648000       5.752000 0.5649000       6.646000      0.4619000     -0.8936000      0.7297000
  1 1 1      29   24   11 o    8.370000      0.2966000       8.548000 0.4329000       8.193000      0.4054000      0.3551000      0.5931000
  1 1 1      29   24   12 o    2.848000      0.6085000       2.568000 0.9256000       3.128000      0.7903000     -0.5600000       1.217000
  1 1 1      29   24   13 o    3.179000      0.5766000       3.465000 0.8244000       2.893000      0.8065000      0.5715000       1.153000
  1 1 1      29   24   14 o    2.207000      0.5873000       1.951000 0.8290000       2.463000      0.8320000     -0.5120000       1.175000
  1 1 1      29   24   15 o    4.699000      0.4477000       5.267000 0.6000000       4.131000      0.6645000       1.136000      0.8953000
  1 1 1      29   24   16 o    2.430000      0.6119000       2.782000 0.9059000       2.078000      0.8227000      0.7040000       1.224000
  1 1 1      29   24   17 o    3.068000      0.5950000       3.315000 0.8578000       2.821000      0.8248000      0.4941000       1.190000
  1 1 1      29   24   18 o    2.504000      0.6270000       2.446000 0.9062000       2.563000      0.8667000     -0.1165000       1.254000
  1 1 1      29   24   19 f    2.163000      0.6035000       2.142000 0.8631000       2.185000      0.8438000     -0.4317000E-01   1.207000
  1 1 1      29   24   20 o    2.927000      0.6051000       1.849000 0.8676000       4.005000      0.8436000      -2.156000       1.210000
  1 1 1      29   25    0 o    3.233000      0.8615000       3.369000 1.209000       3.097000       1.228000      0.2720000       1.723000
  1 1 1      29   25    1 o    4.481000      0.7950000       4.039000 1.066000       4.923000       1.179000     -0.8833000       1.590000
  1 1 1      29   25    2 o    3.387000      0.6732000       3.222000 1.016000       3.551000      0.8834000     -0.3296000       1.346000
  1 1 1      29   25    3 o    2.321000      0.6386000       2.789000 0.9825000       1.853000      0.8161000      0.9364000       1.277000
  1 1 1      29   25    4 o    1.987000      0.5577000       1.510000 0.7310000       2.464000      0.8424000     -0.9540000       1.115000
  1 1 1      29   25    5 o    3.838000      0.5565000       4.480000 0.7162000       3.195000      0.8520000       1.284000       1.113000
  1 1 1      29   25    6 o    3.755000      0.5950000       3.396000 0.9585000       4.114000      0.7051000     -0.7178000       1.190000
  1 1 1      29   25    7 o    9.181000      0.3014000       9.373000 0.4355000       8.988000      0.4167000      0.3853000      0.6027000
  1 1 1      29   25    8 o    8.137000      0.3118000       8.363000 0.4622000       7.911000      0.4187000      0.4526000      0.6236000
  1 1 1      29   25    9 o    3.028000      0.6279000       3.211000 0.9476000       2.844000      0.8241000      0.3670000       1.256000
  1 1 1      29   25   10 o    6.645000      0.3646000       6.067000 0.5734000       7.223000      0.4506000      -1.156000      0.7293000
  1 1 1      29   25   11 o    2.835000      0.6326000       2.653000 0.9277000       3.016000      0.8604000     -0.3631000       1.265000
  1 1 1      29   25   12 o    3.812000      0.5465000       3.092000 0.9012000       4.533000      0.6185000      -1.440000       1.093000
  1 1 1      29   25   13 o    1.904000      0.5692000       1.825000 0.8034000       1.984000      0.8065000     -0.1598000       1.138000
  1 1 1      29   25   14 o    3.074000      0.5610000       4.170000 0.7669000       1.978000      0.8190000       2.192000       1.122000
  1 1 1      29   25   15 o    2.991000      0.6108000       3.132000 0.8964000       2.851000      0.8300000      0.2805000       1.222000
  1 1 1      29   25   16 o    2.392000      0.5935000       2.987000 0.9005000       1.796000      0.7732000       1.190000       1.187000
  1 1 1      29   25   17 o    3.564000      0.5769000       3.767000 0.8355000       3.361000      0.7956000      0.4060000       1.154000
  1 1 1      29   25   18 o    2.521000      0.5226000       1.510000 0.7178000       3.533000      0.7598000      -2.023000       1.045000
  1 1 1      29   25   19 o    1.805000      0.5565000       1.751000 0.7853000       1.859000      0.7888000     -0.1089000       1.113000
  1 1 1      29   26    0 o    4.981000      0.5199000       4.988000 0.7571000       4.973000      0.7128000      0.1472000E-01   1.040000
  1 1 1      29   26    1 o    4.169000      0.6810000       3.631000 1.207000       4.708000      0.6301000      -1.078000       1.362000
  1 1 1      29   26    2 o    2.806000      0.8149000       2.268000 1.012000       3.343000       1.278000      -1.075000       1.630000
  1 1 1      29   26    3 o    2.315000      0.7044000       2.235000 0.8873000       2.395000       1.094000     -0.1605000       1.409000
  1 1 1      29   26    4 o    3.909000      0.5738000       3.974000 0.8376000       3.845000      0.7846000      0.1295000       1.148000
  1 1 1      29   26    5 o    4.177000      0.5676000       2.833000 1.000000       5.521000      0.5373000      -2.688000       1.135000
  1 1 1      29   26    6 o    6.565000      0.3684000       6.562000 0.5369000       6.569000      0.5046000     -0.7440000E-02  0.7368000
  1 1 1      29   26    7 o    5.208000      0.4532000       5.311000 0.6922000       5.106000      0.5850000      0.2056000      0.9063000
  1 1 1      29   26    8 o    5.093000      0.4651000       5.158000 0.7055000       5.029000      0.6062000      0.1295000      0.9302000
  1 1 1      29   26    9 o    7.472000      0.3432000       7.224000 0.5318000       7.720000      0.4341000     -0.4966000      0.6865000
  1 1 1      29   26   10 f    6.100000      0.3853000       5.758000 0.6199000       6.443000      0.4579000     -0.6850000      0.7706000
  1 1 1      29   26   11 o    4.478000      0.4837000       4.939000 0.6810000       4.016000      0.6870000      0.9229000      0.9674000
  1 1 1      29   26   12 o    2.835000      0.6222000       3.404000 0.9163000       2.267000      0.8421000       1.137000       1.244000
  1 1 1      29   26   13 o    3.851000      0.5631000       3.613000 0.8976000       4.089000      0.6801000     -0.4764000       1.126000
  1 1 1      29   26   14 o    3.012000      0.6128000       2.767000 0.9195000       3.256000      0.8102000     -0.4889000       1.226000
  1 1 1      29   26   15 o    1.850000      0.5619000       1.804000 0.7952000       1.896000      0.7939000     -0.9112000E-01   1.124000
  1 1 1      29   26   16 o    4.063000      0.5627000       3.252000 0.9269000       4.873000      0.6383000      -1.621000       1.125000
  1 1 1      29   26   17 o    4.413000      0.4942000       4.726000 0.6821000       4.100000      0.7154000      0.6258000      0.9884000
  1 1 1      29   26   18 o    2.243000      0.6139000       2.165000 0.8757000       2.321000      0.8608000     -0.1557000       1.228000
  1 1 1      29   27    0 o    3.922000      0.7922000       3.942000 1.272000       3.902000      0.9442000      0.4003000E-01   1.584000
  1 1 1      29   27    1 o    2.274000      0.6332000       1.858000 0.8520000       2.690000      0.9369000     -0.8323000       1.266000
  1 1 1      29   27    2 o    2.577000      0.6102000       1.831000 0.8407000       3.322000      0.8848000      -1.491000       1.220000
  1 1 1      29   27    3 o    3.153000      0.8597000       2.795000 1.100000       3.511000       1.321000     -0.7159000       1.719000
  1 1 1      29   27    4 o    4.415000      0.8131000       3.859000 1.107000       4.970000       1.191000      -1.111000       1.626000
  1 1 1      29   27    5 o    3.515000      0.7958000       3.305000 0.8876000       3.726000       1.321000     -0.4206000       1.592000
  1 1 1      29   27    6 o    5.131000      0.5122000       4.489000 0.8816000       5.773000      0.5216000      -1.284000       1.024000
  1 1 1      29   27    7 o    3.386000      0.6344000       3.446000 0.9379000       3.326000      0.8545000      0.1206000       1.269000
  1 1 1      29   27    8 o    5.502000      0.4446000       5.453000 0.6945000       5.551000      0.5554000     -0.9816000E-01  0.8892000
  1 1 1      29   27    9 o    3.755000      0.5871000       2.890000 0.9686000       4.619000      0.6637000      -1.729000       1.174000
  1 1 1      29   27   10 o    2.339000      0.6112000       1.914000 0.8474000       2.764000      0.8809000     -0.8501000       1.222000
  1 1 1      29   27   11 o    2.722000      0.6383000       2.302000 0.9310000       3.142000      0.8733000     -0.8395000       1.277000
  1 1 1      29   27   12 o    4.245000      0.5366000       4.340000 0.8049000       4.150000      0.7100000      0.1897000       1.073000
  1 1 1      29   27   13 o    5.948000      0.3826000       6.086000 0.5773000       5.810000      0.5023000      0.2759000      0.7652000
  1 1 1      29   27   14 o    2.696000      0.6387000       2.892000 0.9478000       2.499000      0.8563000      0.3934000       1.277000
  1 1 1      29   27   15 o    3.970000      0.5558000       2.918000 0.9446000       5.022000      0.5857000      -2.104000       1.112000
  1 1 1      29   27   16 o    5.415000      0.4321000       5.903000 0.5729000       4.927000      0.6470000      0.9761000      0.8642000
  1 1 1      29   27   17 o    2.219000      0.6048000       2.766000 0.9406000       1.672000      0.7605000       1.094000       1.210000
  1 1 1      29   28    0 o    3.760000      0.6494000       4.397000 0.9276000       3.123000      0.9090000       1.274000       1.299000
  1 1 1      29   28    1 o    2.349000      0.7032000       2.218000 1.032000       2.480000      0.9554000     -0.2619000       1.406000
  1 1 1      29   28    2 o    2.338000      0.7255000       2.676000 1.150000       2.000000      0.8852000      0.6758000       1.451000
  1 1 1      29   28    3 f    2.186000      0.6229000       1.831000 0.8380000       2.540000      0.9219000     -0.7092000       1.246000
  1 1 1      29   28    4 o    3.332000      0.6556000       3.937000 0.9307000       2.726000      0.9235000       1.211000       1.311000
  1 1 1      29   28    5 o    3.738000      0.6347000       3.289000 1.076000       4.187000      0.6737000     -0.8987000       1.269000
  1 1 1      29   28    6 o    2.895000      0.7953000       2.103000 0.9688000       3.687000       1.262000      -1.583000       1.591000
  1 1 1      29   28    7 o    3.317000      0.7956000       3.810000 1.077000       2.824000       1.171000      0.9868000       1.591000
  1 1 1      29   28    8 o    1.696000      0.5533000       1.617000 0.7653000       1.775000      0.7994000     -0.1581000       1.107000
  1 1 1      29   28    9 o    2.348000      0.6602000       2.492000 0.9849000       2.204000      0.8794000      0.2879000       1.320000
  1 1 1      29   28   10 o    1.805000      0.5725000       1.952000 0.8555000       1.658000      0.7610000      0.2940000       1.145000
  1 1 1      29   28   11 o    1.950000      0.5863000       1.637000 0.7684000       2.263000      0.8858000     -0.6263000       1.173000
  1 1 1      29   28   12 o    2.593000      0.6479000       2.596000 0.9559000       2.589000      0.8750000      0.6495000E-02   1.296000
  1 1 1      29   28   13 o    2.880000      0.6503000       3.027000 0.9643000       2.733000      0.8727000      0.2942000       1.301000
  1 1 1      29   28   14 o    2.408000      0.6235000       2.009000 0.8710000       2.807000      0.8923000     -0.7982000       1.247000
  1 1 1      29   28   15 o    4.140000      0.5746000       4.191000 0.8449000       4.088000      0.7791000      0.1030000       1.149000
  1 1 1      29   28   16 o    3.824000      0.6067000       3.841000 0.8781000       3.808000      0.8374000      0.3364000E-01   1.213000
  1 1 1      29   29    0 o    4.975000      0.5365000       5.968000 0.6566000       3.982000      0.8487000       1.986000       1.073000
  1 1 1      29   29    1 o    2.099000      0.6382000       2.281000 0.9552000       1.916000      0.8465000      0.3648000       1.276000
  1 1 1      29   29    2 o    5.314000      0.4887000       5.897000 0.6715000       4.731000      0.7103000       1.166000      0.9775000
  1 1 1      29   29    3 o    6.515000      0.5648000       5.980000 0.9561000       7.049000      0.6018000      -1.069000       1.130000
  1 1 1      29   29    4 o    4.017000      0.7971000       4.638000 1.266000       3.395000      0.9689000       1.243000       1.594000
  1 1 1      29   29    5 o    4.389000      0.6034000       3.747000 1.019000       5.031000      0.6473000      -1.284000       1.207000
  1 1 1      29   29    6 o    3.466000      0.6665000       3.704000 0.9723000       3.228000      0.9119000      0.4757000       1.333000
  1 1 1      29   29    7 o    2.397000      0.6619000       2.390000 0.9580000       2.405000      0.9137000     -0.1565000E-01   1.324000
  1 1 1      29   29    8 o    2.984000      0.8102000       2.462000 1.054000       3.505000       1.231000      -1.043000       1.620000
  1 1 1      29   29    9 o    2.741000      0.7911000       2.601000 1.112000       2.880000       1.125000     -0.2782000       1.582000
  1 1 1      29   29   10 o    3.218000      0.7525000       2.116000 0.9524000       4.320000       1.165000      -2.205000       1.505000
  1 1 1      29   29   11 f    2.063000      0.6049000       1.829000 0.8292000       2.297000      0.8808000     -0.4682000       1.210000
  1 1 1      29   29   12 o    3.937000      0.5625000       4.421000 0.7693000       3.454000      0.8208000      0.9670000       1.125000
  1 1 1      29   29   13 f    2.496000      0.6456000       2.330000 0.9211000       2.662000      0.9048000     -0.3316000       1.291000
  1 1 1      29   29   14 o    2.145000      0.5979000       2.897000 0.9894000       1.394000      0.6716000       1.503000       1.196000
  1 1 1      29   29   15 o    4.247000      0.5491000       4.102000 0.8411000       4.392000      0.7062000     -0.2901000       1.098000
  1 1 1      29   30    0 o    3.283000      0.6076000       2.113000 0.9350000       4.452000      0.7763000      -2.339000       1.215000
  1 1 1      29   30    1 o    2.294000      0.6746000       2.444000 1.005000       2.144000      0.9001000      0.3000000       1.349000
  1 1 1      29   30    2 o    6.168000      0.4506000       5.895000 0.6899000       6.442000      0.5799000     -0.5472000      0.9013000
  1 1 1      29   30    3 o    5.206000      0.5274000       5.689000 0.7840000       4.723000      0.7056000      0.9659000       1.055000
  1 1 1      29   30    4 o    2.685000      0.6407000       3.648000 1.012000       1.721000      0.7860000       1.927000       1.281000
  1 1 1      29   30    5 o    2.737000      0.7624000       2.501000 1.118000       2.973000       1.037000     -0.4720000       1.525000
  1 1 1      29   30    6 o    2.745000      0.7766000       2.857000 1.165000       2.634000       1.027000      0.2228000       1.553000
  1 1 1      29   30    7 o    2.643000      0.7699000       3.137000 1.217000       2.150000      0.9436000      0.9870000       1.540000
  1 1 1      29   30    8 o    2.279000      0.6587000       2.231000 0.9565000       2.328000      0.9058000     -0.9704000E-01   1.317000
  1 1 1      29   30    9 o    2.203000      0.6375000       2.443000 0.9690000       1.963000      0.8286000      0.4803000       1.275000
  1 1 1      29   30   10 o    2.117000      0.6268000       2.236000 0.9282000       1.997000      0.8426000      0.2398000       1.254000
  1 1 1      29   30   11 o    2.478000      0.7476000       2.297000 1.001000       2.660000       1.110000     -0.3629000       1.495000
  1 1 1      29   30   12 o    2.831000      0.7895000       2.207000 0.9778000       3.455000       1.240000      -1.248000       1.579000
  1 1 1      29   30   13 o    2.307000      0.7280000       2.367000 1.043000       2.247000       1.016000      0.1195000       1.456000
  1 1 1      29   30   14 o    2.613000       1.133000                  ?       ?   2.613000       1.133000                  ?              ?
  1 1 1      29   31    0 o    3.847000      0.6675000       3.580000 1.052000       4.113000      0.8219000     -0.5324000       1.335000
  1 1 1      29   31    1 o    3.295000      0.6815000       2.699000 1.026000       3.892000      0.8974000      -1.194000       1.363000
  1 1 1      29   31    2 o    3.165000      0.7188000       3.099000 1.075000       3.230000      0.9546000     -0.1305000       1.438000
  1 1 1      29   31    3 o    2.270000      0.6363000       1.738000 0.8253000       2.801000      0.9688000      -1.063000       1.273000
  1 1 1      29   31    4 o    4.653000      0.6185000       3.868000 1.053000       5.439000      0.6499000      -1.571000       1.237000
  1 1 1      29   31    5 o    2.949000      0.6738000       2.475000 1.003000       3.423000      0.9006000     -0.9481000       1.348000
  1 1 1      29   31    6 o    2.241000      0.6574000       2.175000 0.9398000       2.306000      0.9194000     -0.1308000       1.315000
  1 1 1      29   31    7 o    1.934000      0.6037000       1.726000 0.8153000       2.143000      0.8907000     -0.4166000       1.207000
  1 1 1      29   31    8 o    2.333000      0.7097000       2.438000 1.087000       2.228000      0.9134000      0.2108000       1.419000
  1 1 1      29   31    9 o    2.401000      0.7095000       2.085000 0.9670000       2.717000       1.039000     -0.6317000       1.419000
  1 1 1      29   31   10 o    3.016000      0.8100000       3.451000 1.264000       2.581000       1.013000      0.8697000       1.620000
  1 1 1      29   31   11 o    2.722000      0.6997000       1.976000 0.8784000       3.468000       1.089000      -1.492000       1.399000
  1 1 1      29   31   12 o    2.563000       1.107000                  ?       ?   2.563000       1.107000                  ?              ?
  1 1 1      29   32    0 f    2.325000      0.6723000       2.202000 0.9409000       2.448000      0.9606000     -0.2457000       1.345000
  1 1 1      29   32    1 o    1.733000      0.5802000       1.860000 0.8713000       1.606000      0.7663000      0.2535000       1.160000
  1 1 1      29   32    2 o    2.565000      0.6995000       2.647000 1.027000       2.484000      0.9497000      0.1633000       1.399000
  1 1 1      29   32    3 o    2.492000      0.7003000       2.781000 1.064000       2.204000      0.9115000      0.5773000       1.401000
  1 1 1      29   32    4 o    4.673000      0.6041000       3.923000 0.9902000       5.423000      0.6923000      -1.500000       1.208000
  1 1 1      29   32    5 o    3.876000      0.6813000       4.109000 0.9817000       3.644000      0.9450000      0.4651000       1.363000
  1 1 1      29   32    6 o    2.843000      0.6971000       2.650000 1.037000       3.037000      0.9317000     -0.3877000       1.394000
  1 1 1      29   32    7 o    2.800000      0.6884000       2.257000 0.9573000       3.343000      0.9894000      -1.086000       1.377000
  1 1 1      29   32    8 o    2.129000      0.6459000       2.363000 0.9710000       1.896000      0.8519000      0.4663000       1.292000
  1 1 1      29   32    9 o    2.564000      0.6738000       3.061000 1.028000       2.067000      0.8712000      0.9939000       1.348000
  1 1 1      29   33    0 o    2.689000      0.6940000       2.193000 0.9602000       3.185000       1.002000     -0.9918000       1.388000
  1 1 1      29   33    1 o    2.934000      0.7188000       3.208000 1.027000       2.660000       1.006000      0.5489000       1.438000
  1 1 1      29   33    2 o    2.190000      0.6645000       2.369000 0.9856000       2.010000      0.8916000      0.3593000       1.329000
  1 1 1      29   33    3 o    1.841000      0.5957000       2.218000 0.9539000       1.465000      0.7138000      0.7523000       1.191000
  1 1 1      29   33    4 o    2.634000      0.7052000       2.548000 1.014000       2.719000      0.9801000     -0.1714000       1.410000
  1 1 1      29   33    5 o    2.508000      0.6899000       2.738000 1.000000       2.278000      0.9506000      0.4596000       1.380000
  1 1 1      29   33    6 o    3.435000      0.7576000       4.253000 0.9903000       2.618000       1.147000       1.636000       1.515000
  1 1 1      30   -6    0 o    4.978000      0.6209000       4.995000 0.9596000       4.961000      0.7881000      0.3451000E-01   1.242000
  1 1 1      30   -6    1 o    3.474000      0.7006000       2.650000 1.040000       4.298000      0.9387000      -1.648000       1.401000
  1 1 1      30   -6    2 o    1.897000      0.5584000       1.682000 0.7606000       2.113000      0.8179000     -0.4317000       1.117000
  1 1 1      30   -6    3 o    4.952000      0.4217000       4.590000 0.6492000       5.315000      0.5386000     -0.7248000      0.8435000
  1 1 1      30   -6    4 o    2.640000      0.7128000       2.771000 1.038000       2.509000      0.9767000      0.2620000       1.426000
  1 1 1      30   -6    5 o    2.188000      0.5373000       3.051000 0.8715000       1.326000      0.6286000       1.725000       1.075000
  1 1 1      30   -6    6 o    3.691000      0.7818000       3.691000 0.7818000                  ?              ?              ?              ?
  1 1 1      30   -5    0 o    2.180000      0.6089000       1.761000 0.7720000       2.599000      0.9417000     -0.8383000       1.218000
  1 1 1      30   -5    1 o    4.375000      0.5025000       4.321000 0.7834000       4.429000      0.6294000     -0.1090000       1.005000
  1 1 1      30   -5    2 o    3.364000      0.7205000       2.902000 1.113000       3.826000      0.9159000     -0.9236000       1.441000
  1 1 1      30   -5    3 o    2.867000      0.7378000       2.849000 1.063000       2.885000       1.023000     -0.3674000E-01   1.476000
  1 1 1      30   -5    4 o    5.169000      0.3909000       5.091000 0.6082000       5.248000      0.4913000     -0.1567000      0.7819000
  1 1 1      30   -5    5 o    7.983000      0.2995000       8.229000 0.4468000       7.737000      0.3989000      0.4924000      0.5989000
  1 1 1      30   -5    6 f    5.908000      0.3425000       5.607000 0.5426000       6.208000      0.4181000     -0.6009000      0.6849000
  1 1 1      30   -5    7 o    2.142000      0.5838000       2.292000 0.8660000       1.991000      0.7833000      0.3010000       1.168000
  1 1 1      30   -5    8 o    5.072000      0.3785000       5.322000 0.5344000       4.823000      0.5363000      0.4992000      0.7571000
  1 1 1      30   -5    9 o    1.923000      0.5585000       2.121000 0.8382000       1.724000      0.7382000      0.3966000       1.117000
  1 1 1      30   -4    0 o    2.817000      0.6231000       2.712000 0.9258000       2.922000      0.8342000     -0.2099000       1.246000
  1 1 1      30   -4    1 f    2.325000      0.6981000       2.753000 1.098000       1.897000      0.8625000      0.8556000       1.396000
  1 1 1      30   -4    2 o    1.883000      0.5760000       1.507000 0.6912000       2.259000      0.9216000     -0.7518000       1.152000
  1 1 1      30   -4    3 o    2.824000      0.6215000       3.099000 0.9237000       2.549000      0.8317000      0.5499000       1.243000
  1 1 1      30   -4    4 o    5.877000      0.3664000       5.628000 0.5818000       6.126000      0.4456000     -0.4978000      0.7329000
  1 1 1      30   -4    5 o    4.925000      0.4505000       3.952000 0.7833000       5.897000      0.4454000      -1.945000      0.9010000
  1 1 1      30   -4    6 o    3.901000      0.5026000       4.620000 0.6536000       3.182000      0.7638000       1.438000       1.005000
  1 1 1      30   -4    7 o    7.850000      0.2950000       7.991000 0.4562000       7.709000      0.3742000      0.2817000      0.5900000
  1 1 1      30   -4    8 o    4.477000      0.4721000       3.644000 0.8082000       5.310000      0.4880000      -1.665000      0.9442000
  1 1 1      30   -4    9 o    2.651000      0.5239000       1.853000 0.7847000       3.450000      0.6944000      -1.597000       1.048000
  1 1 1      30   -4   10 o    2.616000      0.5111000       1.812000 0.7802000       3.420000      0.6604000      -1.608000       1.022000
  1 1 1      30   -4   11 o    2.702000      0.5694000       2.871000 0.8157000       2.533000      0.7945000      0.3373000       1.139000
  1 1 1      30   -3    0 o    2.042000      0.6534000       2.320000 1.018000       1.764000      0.8187000      0.5561000       1.307000
  1 1 1      30   -3    1 f    2.515000      0.5829000       2.224000 0.8910000       2.806000      0.7519000     -0.5820000       1.166000
  1 1 1      30   -3    2 o    3.328000      0.5769000       3.522000 0.8798000       3.134000      0.7465000      0.3880000       1.154000
  1 1 1      30   -3    3 o    3.048000      0.6167000       3.328000 0.9030000       2.767000      0.8402000      0.5605000       1.233000
  1 1 1      30   -3    4 o    3.577000      0.5360000       4.296000 0.7166000       2.857000      0.7972000       1.439000       1.072000
  1 1 1      30   -3    5 o    2.042000      0.5700000       1.923000 0.8176000       2.162000      0.7945000     -0.2392000       1.140000
  1 1 1      30   -3    6 o    1.953000      0.5463000       1.619000 0.7461000       2.287000      0.7980000     -0.6684000       1.093000
  1 1 1      30   -3    7 o    6.729000      0.3138000       6.389000 0.4857000       7.068000      0.3975000     -0.6790000      0.6276000
  1 1 1      30   -3    8 f    2.284000      0.5575000       1.858000 0.7887000       2.710000      0.7882000     -0.8519000       1.115000
  1 1 1      30   -3    9 o    1.570000      0.4937000       1.374000 0.6587000       1.766000      0.7356000     -0.3915000      0.9874000
  1 1 1      30   -3   10 o    2.672000      0.5736000       2.757000 0.8532000       2.586000      0.7669000      0.1710000       1.147000
  1 1 1      30   -3   11 o    4.336000      0.4864000       4.009000 0.6637000       4.664000      0.7113000     -0.6547000      0.9728000
  1 1 1      30   -3   12 o    3.084000      0.5341000       2.779000 0.8042000       3.388000      0.7031000     -0.6092000       1.068000
  1 1 1      30   -3   13 o    1.890000      0.5254000       1.518000 0.7008000       2.261000      0.7830000     -0.7426000       1.051000
  1 1 1      30   -2    0 o    3.174000      0.5667000       2.117000 0.9771000       4.231000      0.5746000      -2.114000       1.133000
  1 1 1      30   -2    1 o    2.267000      0.6128000       2.326000 0.9094000       2.209000      0.8216000      0.1175000       1.226000
  1 1 1      30   -2    2 o    4.348000      0.5016000       4.002000 0.8440000       4.693000      0.5421000     -0.6911000       1.003000
  1 1 1      30   -2    3 o    3.340000      0.5686000       3.176000 0.9082000       3.503000      0.6843000     -0.3264000       1.137000
  1 1 1      30   -2    4 o    2.368000      0.6057000       2.396000 0.8872000       2.339000      0.8249000      0.5668000E-01   1.211000
  1 1 1      30   -2    5 o    2.257000      0.5925000       2.128000 0.8595000       2.386000      0.8158000     -0.2580000       1.185000
  1 1 1      30   -2    6 o    1.952000      0.5608000       1.970000 0.8273000       1.933000      0.7574000      0.3731000E-01   1.122000
  1 1 1      30   -2    7 o    2.042000      0.5397000       1.662000 0.7477000       2.422000      0.7785000     -0.7602000       1.079000
  1 1 1      30   -2    8 o    5.934000      0.3407000       5.571000 0.5455000       6.297000      0.4085000     -0.7262000      0.6815000
  1 1 1      30   -2    9 o    2.920000      0.5494000       2.497000 0.8524000       3.343000      0.6934000     -0.8458000       1.099000
  1 1 1      30   -2   10 o    5.470000      0.3509000       5.187000 0.5527000       5.754000      0.4325000     -0.5672000      0.7018000
  1 1 1      30   -2   11 o    3.652000      0.4904000       3.534000 0.7867000       3.771000      0.5859000     -0.2374000      0.9809000
  1 1 1      30   -2   12 o    4.138000      0.4189000       4.179000 0.6515000       4.097000      0.5267000      0.8249000E-01  0.8377000
  1 1 1      30   -2   13 o    5.510000      0.4634000       5.487000 0.7029000       5.532000      0.6040000     -0.4525000E-01  0.9268000
  1 1 1      30   -2   14 o    6.050000      0.3086000       5.222000 0.4915000       6.877000      0.3732000      -1.655000      0.6171000
  1 1 1      30   -1    0 o    4.345000      0.5012000       4.370000 0.7675000       4.320000      0.6447000      0.5008000E-01   1.002000
  1 1 1      30   -1    1 o    3.148000      0.5890000       2.477000 0.9458000       3.819000      0.7023000      -1.342000       1.178000
  1 1 1      30   -1    2 o    4.766000      0.4528000       5.125000 0.6759000       4.407000      0.6028000      0.7183000      0.9056000
  1 1 1      30   -1    3 o    2.325000      0.6086000       2.785000 0.9473000       1.865000      0.7642000      0.9199000       1.217000
  1 1 1      30   -1    4 o    3.638000      0.5583000       3.530000 0.8934000       3.746000      0.6699000     -0.2157000       1.117000
  1 1 1      30   -1    5 o    5.299000      0.3876000       5.262000 0.6042000       5.335000      0.4858000     -0.7244000E-01  0.7753000
  1 1 1      30   -1    6 o    2.963000      0.5928000       2.780000 0.8927000       3.146000      0.7803000     -0.3667000       1.186000
  1 1 1      30   -1    7 o    7.069000      0.3144000       6.799000 0.4933000       7.339000      0.3900000     -0.5404000      0.6288000
  1 1 1      30   -1    8 o    9.255000      0.2686000       8.986000 0.4126000       9.523000      0.3439000     -0.5367000      0.5371000
  1 1 1      30   -1    9 o    4.156000      0.4760000       3.535000 0.8213000       4.777000      0.4816000      -1.241000      0.9521000
  1 1 1      30   -1   10 f    2.125000      0.5782000       2.176000 0.8512000       2.074000      0.7829000      0.1029000       1.156000
  1 1 1      30   -1   11 o    3.213000      0.5350000       3.406000 0.7875000       3.021000      0.7245000      0.3849000       1.070000
  1 1 1      30   -1   12 o    7.670000      0.3914000       7.465000 0.5940000       7.876000      0.5098000     -0.4109000      0.7827000
  1 1 1      30   -1   13 o    2.847000      0.5359000       2.573000 0.8345000       3.121000      0.6724000     -0.5488000       1.072000
  1 1 1      30   -1   14 o    5.281000      0.3317000       4.733000 0.5318000       5.829000      0.3965000      -1.096000      0.6634000
  1 1 1      30   -1   16 o    2.547000      0.9737000       2.547000 0.9737000                  ?              ?              ?              ?
  1 1 1      30    0    0 o    7.745000      0.3245000       7.631000 0.5063000       7.859000      0.4061000     -0.2275000      0.6491000
  1 1 1      30    0    1 o    5.277000      0.4746000       4.440000 0.8167000       6.114000      0.4836000      -1.675000      0.9492000
  1 1 1      30    0    2 o    3.179000      0.6094000       2.831000 0.9492000       3.527000      0.7644000     -0.6957000       1.219000
  1 1 1      30    0    3 o    2.580000      0.6300000       2.746000 0.9454000       2.414000      0.8329000      0.3316000       1.260000
  1 1 1      30    0    4 o    3.187000      0.5713000       4.004000 0.8100000       2.369000      0.8060000       1.635000       1.143000
  1 1 1      30    0    5 o    3.810000      0.5361000       3.478000 0.8870000       4.142000      0.6023000     -0.6640000       1.072000
  1 1 1      30    0    6 o    3.166000      0.5471000       2.445000 0.8904000       3.887000      0.6360000      -1.442000       1.094000
  1 1 1      30    0    7 o    9.224000      0.2717000       9.194000 0.4154000       9.255000      0.3504000     -0.6043000E-01  0.5434000
  1 1 1      30    0    8 o    9.215000      0.2707000       9.108000 0.4174000       9.322000      0.3448000     -0.2142000      0.5414000
  1 1 1      30    0    9 o    6.914000      0.3056000       6.466000 0.4886000       7.362000      0.3671000     -0.8963000      0.6112000
  1 1 1      30    0   10 o    1.636000      0.5109000       1.797000 0.7757000       1.474000      0.6651000      0.3224000       1.022000
  1 1 1      30    0   11 o    7.770000      0.3933000       7.438000 0.6004000       8.103000      0.5081000     -0.6642000      0.7865000
  1 1 1      30    0   12 o    6.770000      0.2947000       6.526000 0.4595000       7.014000      0.3691000     -0.4887000      0.5894000
  1 1 1      30    0   13 o    3.880000      0.4591000       3.259000 0.7703000       4.501000      0.4999000      -1.242000      0.9183000
  1 1 1      30    0   14 o    5.879000      0.4142000       5.426000 0.6665000       6.331000      0.4920000     -0.9043000      0.8285000
  1 1 1      30    0   15 o    4.457000      0.3712000       4.201000 0.5869000       4.713000      0.4545000     -0.5124000      0.7423000
  1 1 1      30    0   16 o    3.359000      0.4494000       3.286000 0.6832000       3.432000      0.5841000     -0.1461000      0.8989000
  1 1 1      30    0   17 f    1.959000      0.5728000       1.701000 0.7293000       2.216000      0.8835000     -0.5156000       1.146000
  1 1 1      30    1    0 o    6.224000      0.3402000       6.813000 0.4322000       5.635000      0.5254000       1.178000      0.6803000
  1 1 1      30    1    1 o    6.145000      0.3353000       6.281000 0.4381000       6.008000      0.5077000      0.2726000      0.6706000
  1 1 1      30    1    2 o    1.928000      0.6106000       2.123000 0.9615000       1.732000      0.7530000      0.3916000       1.221000
  1 1 1      30    1    3 o    4.131000      0.5164000       4.229000 0.8074000       4.033000      0.6442000      0.1954000       1.033000
  1 1 1      30    1    4 o    7.612000      0.3279000       7.344000 0.5142000       7.880000      0.4071000     -0.5366000      0.6559000
  1 1 1      30    1    5 o    3.745000      0.5470000       4.288000 0.7887000       3.202000      0.7582000       1.087000       1.094000
  1 1 1      30    1    6 o    6.968000      0.3298000       7.224000 0.5124000       6.711000      0.4155000      0.5122000      0.6597000
  1 1 1      30    1    7 o    12.92000      0.2773000       12.83000 0.4212000       13.02000      0.3608000     -0.1913000      0.5546000
  1 1 1      30    1    8 o    3.727000      0.5219000       3.922000 0.7854000       3.533000      0.6876000      0.3890000       1.044000
  1 1 1      30    1    9 o    2.916000      0.6050000       3.221000 0.9179000       2.611000      0.7883000      0.6094000       1.210000
  1 1 1      30    1   10 o    6.166000      0.4839000       5.719000 0.7727000       6.613000      0.5826000     -0.8941000      0.9677000
  1 1 1      30    1   11 o    7.173000      0.2934000       6.901000 0.4600000       7.445000      0.3644000     -0.5443000      0.5868000
  1 1 1      30    1   12 o    5.258000      0.3419000       5.793000 0.4932000       4.723000      0.4735000       1.070000      0.6837000
  1 1 1      30    1   13 o    2.133000      0.6276000       2.458000 0.9694000       1.808000      0.7975000      0.6500000       1.255000
  1 1 1      30    1   14 o    7.885000      0.2593000       7.818000 0.3980000       7.953000      0.3326000     -0.1354000      0.5187000
  1 1 1      30    1   15 o    3.486000      0.4674000       3.868000 0.6570000       3.103000      0.6650000      0.7653000      0.9347000
  1 1 1      30    1   16 o    2.195000      0.5087000       1.735000 0.7249000       2.655000      0.7138000     -0.9203000       1.017000
  1 1 1      30    1   17 o    1.957000      0.5250000       2.153000 0.7725000       1.761000      0.7113000      0.3918000       1.050000
  1 1 1      30    1   18 o    2.474000      0.9039000       2.474000 0.9039000                  ?              ?              ?              ?
  1 1 1      30    2    0 o    6.292000      0.3412000       6.263000 0.4908000       6.322000      0.4741000     -0.5856000E-01  0.6824000
  1 1 1      30    2    1 o    4.653000      0.4338000       4.650000 0.6041000       4.657000      0.6228000     -0.6997000E-02  0.8677000
  1 1 1      30    2    2 o    3.595000      0.5287000       3.259000 0.8040000       3.932000      0.6867000     -0.6732000       1.057000
  1 1 1      30    2    3 o    5.988000      0.3376000       5.836000 0.4842000       6.140000      0.4706000     -0.3040000      0.6752000
  1 1 1      30    2    4 o    4.966000      0.3904000       5.304000 0.5044000       4.628000      0.5961000      0.6761000      0.7809000
  1 1 1      30    2    5 o    9.892000      0.2673000       10.16000 0.3662000       9.625000      0.3894000      0.5340000      0.5346000
  1 1 1      30    2    6 o    3.728000      0.6446000       3.516000 1.106000       3.939000      0.6618000     -0.4233000       1.289000
  1 1 1      30    2    7 o    9.801000      0.2843000       9.707000 0.4406000       9.896000      0.3595000     -0.1885000      0.5686000
  1 1 1      30    2    8 o    2.228000      0.5955000       2.434000 0.9108000       2.021000      0.7674000      0.4125000       1.191000
  1 1 1      30    2    9 o    3.890000      0.6740000       3.417000 1.049000       4.362000      0.8469000     -0.9446000       1.348000
  1 1 1      30    2   10 o    7.066000      0.3205000       6.899000 0.5241000       7.234000      0.3692000     -0.3347000      0.6411000
  1 1 1      30    2   11 o    5.951000      0.3474000       5.613000 0.5564000       6.289000      0.4162000     -0.6754000      0.6948000
  1 1 1      30    2   12 o    3.085000      0.6871000       3.351000 1.061000       2.819000      0.8735000      0.5321000       1.374000
  1 1 1      30    2   13 o    4.253000      0.4330000       4.884000 0.5843000       3.623000      0.6392000       1.261000      0.8661000
  1 1 1      30    2   14 o    3.430000      0.4801000       2.993000 0.8106000       3.867000      0.5147000     -0.8736000      0.9602000
  1 1 1      30    2   15 o    5.145000      0.3308000       4.536000 0.5470000       5.755000      0.3722000      -1.219000      0.6616000
  1 1 1      30    2   16 o    3.478000      0.4717000       2.623000 0.8111000       4.333000      0.4818000      -1.710000      0.9434000
  1 1 1      30    2   17 o    2.108000      0.5405000       2.342000 0.7807000       1.874000      0.7476000      0.4682000       1.081000
  1 1 1      30    2   18 o    2.126000      0.5233000       2.344000 0.7553000       1.907000      0.7245000      0.4368000       1.047000
  1 1 1      30    3    0 o    5.448000      0.3987000       5.450000 0.5446000       5.445000      0.5823000      0.4778000E-02  0.7973000
  1 1 1      30    3    1 o    5.346000      0.4069000       6.017000 0.4897000       4.675000      0.6500000       1.342000      0.8138000
  1 1 1      30    3    2 f    3.181000      0.5741000       3.420000 0.7947000       2.942000      0.8287000      0.4786000       1.148000
  1 1 1      30    3    3 o    1.716000      0.5147000       2.095000 0.8067000       1.338000      0.6394000      0.7572000       1.029000
  1 1 1      30    3    4 o    5.576000      0.3565000       6.187000 0.4524000       4.965000      0.5510000       1.222000      0.7130000
  1 1 1      30    3    5 o    8.266000      0.2820000       8.367000 0.3887000       8.165000      0.4088000      0.2021000      0.5640000
  1 1 1      30    3    6 o    6.232000      0.3217000       6.438000 0.4411000       6.026000      0.4685000      0.4121000      0.6435000
  1 1 1      30    3    7 o    6.602000      0.3043000       6.259000 0.4282000       6.946000      0.4325000     -0.6869000      0.6086000
  1 1 1      30    3    8 o    4.719000      0.6372000       3.954000 1.048000       5.484000      0.7256000      -1.530000       1.274000
  1 1 1      30    3    9 o    2.660000      0.6943000       3.272000 1.058000       2.048000      0.8988000       1.224000       1.389000
  1 1 1      30    3   10 o    7.112000      0.3074000       7.654000 0.4732000       6.570000      0.3924000       1.084000      0.6147000
  1 1 1      30    3   11 o    2.594000      0.6987000       2.752000 1.094000       2.437000      0.8700000      0.3151000       1.397000
  1 1 1      30    3   12 o    8.369000      0.4140000       8.176000 0.6631000       8.561000      0.4959000     -0.3850000      0.8280000
  1 1 1      30    3   13 o    9.365000      0.2566000       9.158000 0.3939000       9.571000      0.3289000     -0.4124000      0.5131000
  1 1 1      30    3   14 o    6.533000      0.2826000       6.287000 0.4388000       6.779000      0.3560000     -0.4920000      0.5651000
  1 1 1      30    3   15 o    5.386000      0.3342000       4.585000 0.5624000       6.187000      0.3613000      -1.602000      0.6685000
  1 1 1      30    3   16 o    6.380000      0.2694000       6.472000 0.4014000       6.287000      0.3595000      0.1845000      0.5389000
  1 1 1      30    3   17 o    3.397000      0.6807000       3.397000 0.6807000                  ?              ?              ?              ?
  1 1 1      30    3   18 o    4.721000      0.3768000       4.176000 0.5282000       5.266000      0.5376000      -1.090000      0.7537000
  1 1 1      30    3   19 o    4.195000      0.4881000                  ?       ?   4.195000      0.4881000                  ?              ?
  1 1 1      30    4    0 o    2.341000      0.5987000       2.642000 0.8663000       2.040000      0.8266000      0.6023000       1.197000
  1 1 1      30    4    1 o    13.10000      0.2732000       13.09000 0.3863000       13.12000      0.3864000     -0.2709000E-01  0.5464000
  1 1 1      30    4    2 o    13.83000      0.2747000       13.67000 0.3850000       13.99000      0.3920000     -0.3151000      0.5495000
  1 1 1      30    4    3 o    7.223000      0.3043000       7.163000 0.4294000       7.283000      0.4314000     -0.1195000      0.6087000
  1 1 1      30    4    4 o    12.25000      0.2634000       12.50000 0.3762000       12.00000      0.3688000      0.4938000      0.5268000
  1 1 1      30    4    5 o    10.91000      0.2680000       10.76000 0.3788000       11.06000      0.3792000     -0.2981000      0.5360000
  1 1 1      30    4    6 f    11.62000      0.2602000       11.80000 0.3693000       11.44000      0.3666000      0.3546000      0.5203000
  1 1 1      30    4    7 o    6.183000      0.3266000       6.555000 0.4309000       5.810000      0.4911000      0.7448000      0.6533000
  1 1 1      30    4    8 o    4.641000      0.6518000       3.802000 1.061000       5.480000      0.7579000      -1.678000       1.304000
  1 1 1      30    4    9 o    1.832000      0.5275000       1.813000 0.7494000       1.851000      0.7426000     -0.3764000E-01   1.055000
  1 1 1      30    4   10 o    1.788000      0.5314000       1.742000 0.7369000       1.834000      0.7659000     -0.9207000E-01   1.063000
  1 1 1      30    4   11 o    4.029000      0.5326000       3.440000 0.8098000       4.618000      0.6919000      -1.178000       1.065000
  1 1 1      30    4   12 o    6.995000      0.2703000       6.948000 0.3696000       7.042000      0.3945000     -0.9373000E-01  0.5406000
  1 1 1      30    4   13 o    3.335000      0.6310000       3.644000 1.050000       3.025000      0.7002000      0.6191000       1.262000
  1 1 1      30    4   14 o    2.102000      0.5605000       2.148000 0.8325000       2.055000      0.7506000      0.9294000E-01   1.121000
  1 1 1      30    4   15 o    2.025000      0.4973000       1.476000 0.6816000       2.574000      0.7243000      -1.098000      0.9946000
  1 1 1      30    4   16 o    3.760000      0.4331000       3.478000 0.7158000       4.042000      0.4878000     -0.5636000      0.8662000
  1 1 1      30    4   17 o    2.073000      0.5058000       2.638000 0.7694000       1.507000      0.6570000       1.131000       1.012000
  1 1 1      30    4   18 o    2.457000      0.5174000       2.122000 0.7622000       2.793000      0.6998000     -0.6711000       1.035000
  1 1 1      30    4   19 o    2.741000      0.4626000       2.107000 0.7442000       3.376000      0.5498000      -1.269000      0.9252000
  1 1 1      30    4   20 o    2.864000      0.4572000       2.891000 0.6530000       2.837000      0.6402000      0.5389000E-01  0.9145000
  1 1 1      30    5    0 o    8.728000      0.2894000       8.991000 0.3981000       8.466000      0.4201000      0.5258000      0.5787000
  1 1 1      30    5    1 o    8.331000      0.2985000       8.210000 0.4278000       8.453000      0.4163000     -0.2425000      0.5969000
  1 1 1      30    5    2 o    2.828000      0.6032000       3.108000 0.8317000       2.547000      0.8738000      0.5614000       1.206000
  1 1 1      30    5    3 o    4.658000      0.4307000       4.590000 0.6178000       4.725000      0.6004000     -0.1346000      0.8614000
  1 1 1      30    5    4 o    5.265000      0.3751000       5.191000 0.5257000       5.338000      0.5351000     -0.1477000      0.7501000
  1 1 1      30    5    5 o    16.54000      0.2847000       16.47000 0.4013000       16.61000      0.4040000     -0.1439000      0.5694000
  1 1 1      30    5    6 o    7.541000      0.2932000       7.595000 0.4106000       7.488000      0.4188000      0.1079000      0.5864000
  1 1 1      30    5    7 o    4.163000      0.7232000       3.466000 1.125000       4.859000      0.9087000      -1.393000       1.446000
  1 1 1      30    5    8 o    5.150000      0.6122000       4.673000 0.9453000       5.626000      0.7781000     -0.9534000       1.224000
  1 1 1      30    5    9 o    7.293000      0.2885000       6.735000 0.4263000       7.851000      0.3889000      -1.116000      0.5770000
  1 1 1      30    5   10 o    5.860000      0.4118000       6.140000 0.5194000       5.580000      0.6392000      0.5605000      0.8236000
  1 1 1      30    5   11 o    2.660000      0.6203000       3.019000 0.8425000       2.301000      0.9108000      0.7189000       1.241000
  1 1 1      30    5   12 o    4.479000      0.3799000       4.896000 0.4655000       4.061000      0.6005000      0.8347000      0.7598000
  1 1 1      30    5   13 o    5.689000      0.3034000       6.225000 0.3873000       5.154000      0.4671000       1.071000      0.6068000
  1 1 1      30    5   14 o    2.175000      0.5358000       2.172000 0.7418000       2.178000      0.7734000     -0.6433000E-02   1.072000
  1 1 1      30    5   15 o    1.917000      0.4836000       1.437000 0.6315000       2.398000      0.7325000     -0.9613000      0.9671000
  1 1 1      30    5   16 o    4.527000      0.5110000       4.553000 0.9174000       4.501000      0.4506000      0.5215000E-01   1.022000
  1 1 1      30    5   17 o    3.755000      0.4172000       3.587000 0.6571000       3.923000      0.5143000     -0.3363000      0.8345000
  1 1 1      30    5   18 o    4.521000      0.3302000       4.777000 0.4662000       4.265000      0.4676000      0.5121000      0.6603000
  1 1 1      30    5   19 o    2.399000      0.5089000       2.161000 0.7547000       2.638000      0.6829000     -0.4764000       1.018000
  1 1 1      30    5   20 o    1.792000      0.4866000       1.804000 0.7069000       1.780000      0.6690000      0.2430000E-01  0.9733000
  1 1 1      30    6    0 o    4.958000      0.4477000       5.685000 0.5373000       4.231000      0.7164000       1.454000      0.8955000
  1 1 1      30    6    1 o    3.970000      0.5340000       3.473000 0.8473000       4.467000      0.6501000     -0.9940000       1.068000
  1 1 1      30    6    2 o    4.162000      0.4985000       4.547000 0.6490000       3.776000      0.7567000      0.7708000      0.9969000
  1 1 1      30    6    3 o    11.55000      0.2708000       11.93000 0.3838000       11.18000      0.3820000      0.7524000      0.5415000
  1 1 1      30    6    4 o    10.36000      0.2719000       10.29000 0.3871000       10.43000      0.3818000     -0.1444000      0.5437000
  1 1 1      30    6    5 o    10.44000      0.2739000       10.39000 0.3871000       10.49000      0.3878000     -0.1031000      0.5479000
  1 1 1      30    6    6 o    7.378000      0.3082000       7.408000 0.4444000       7.347000      0.4273000      0.6101000E-01  0.6164000
  1 1 1      30    6    7 o    7.075000      0.4639000       7.218000 0.6628000       6.932000      0.6494000      0.2857000      0.9279000
  1 1 1      30    6    8 o    1.912000      0.5446000       2.314000 0.8371000       1.511000      0.6967000      0.8032000       1.089000
  1 1 1      30    6    9 o    3.178000      0.5494000       3.575000 0.7343000       2.782000      0.8175000      0.7922000       1.099000
  1 1 1      30    6   10 o    4.833000      0.4985000       4.385000 0.7270000       5.281000      0.6822000     -0.8959000      0.9970000
  1 1 1      30    6   11 f    5.276000      0.3525000       5.760000 0.4592000       4.793000      0.5350000      0.9669000      0.7050000
  1 1 1      30    6   12 o    3.782000      0.4395000       3.730000 0.5946000       3.834000      0.6474000     -0.1042000      0.8790000
  1 1 1      30    6   13 o    3.665000      0.4524000       3.087000 0.7053000       4.243000      0.5667000      -1.156000      0.9048000
  1 1 1      30    6   14 o    2.825000      0.5136000       3.183000 0.6553000       2.467000      0.7911000      0.7166000       1.027000
  1 1 1      30    6   15 o    4.194000      0.3642000       4.136000 0.5032000       4.253000      0.5267000     -0.1170000      0.7285000
  1 1 1      30    6   16 o    9.244000      0.2303000       9.094000 0.3248000       9.394000      0.3267000     -0.3006000      0.4606000
  1 1 1      30    6   17 o    4.407000      0.3395000       3.963000 0.5254000       4.850000      0.4302000     -0.8870000      0.6791000
  1 1 1      30    6   18 o    3.377000      0.5659000       3.377000 0.5659000                  ?              ?              ?              ?
  1 1 1      30    6   19 o    2.880000      0.4500000       2.345000 0.7193000       3.414000      0.5409000      -1.069000      0.9000000
  1 1 1      30    6   20 o    2.786000      0.4199000       2.101000 0.6806000       3.472000      0.4920000      -1.371000      0.8399000
  1 1 1      30    6   21 o    1.201000      0.3945000       1.170000 0.5507000       1.231000      0.5651000     -0.6087000E-01  0.7891000
  1 1 1      30    7    0 o    4.204000      0.5091000       3.516000 0.8143000       4.892000      0.6113000      -1.375000       1.018000
  1 1 1      30    7    1 o    3.713000      0.5536000       3.476000 0.8391000       3.950000      0.7224000     -0.4746000       1.107000
  1 1 1      30    7    2 o    2.999000      0.5892000       3.621000 0.7988000       2.378000      0.8663000       1.243000       1.178000
  1 1 1      30    7    3 o    8.838000      0.2822000       8.646000 0.4039000       9.030000      0.3942000     -0.3841000      0.5644000
  1 1 1      30    7    4 o    5.061000      0.4114000       5.376000 0.5503000       4.747000      0.6116000      0.6290000      0.8227000
  1 1 1      30    7    5 o    3.469000      0.5556000       3.635000 0.7540000       3.303000      0.8164000      0.3317000       1.111000
  1 1 1      30    7    6 o    9.093000      0.3472000       8.916000 0.4116000       9.270000      0.5592000     -0.3539000      0.6944000
  1 1 1      30    7    7 o    4.017000      0.7183000       4.255000 1.007000       3.779000       1.025000      0.4762000       1.437000
  1 1 1      30    7    8 o    5.547000      0.3578000       5.480000 0.5154000       5.614000      0.4965000     -0.1345000      0.7157000
  1 1 1      30    7    9 o    5.947000      0.4418000       6.097000 0.6169000       5.797000      0.6327000      0.3001000      0.8837000
  1 1 1      30    7   10 o    7.326000      0.3867000       7.291000 0.5437000       7.361000      0.5501000     -0.6913000E-01  0.7734000
  1 1 1      30    7   11 o    4.781000      0.3884000       4.719000 0.5470000       4.843000      0.5514000     -0.1241000      0.7767000
  1 1 1      30    7   12 o    1.953000      0.5500000       1.735000 0.7413000       2.170000      0.8126000     -0.4357000       1.100000
  1 1 1      30    7   13 o    3.853000      0.4739000       2.831000 0.7844000       4.874000      0.5321000      -2.043000      0.9478000
  1 1 1      30    7   14 o    1.945000      0.5374000       1.906000 0.7473000       1.985000      0.7724000     -0.7911000E-01   1.075000
  1 1 1      30    7   15 o    6.976000      0.2640000       7.219000 0.3671000       6.733000      0.3794000      0.4858000      0.5280000
  1 1 1      30    7   16 o    5.150000      0.3153000       4.880000 0.4547000       5.419000      0.4368000     -0.5394000      0.6306000
  1 1 1      30    7   17 o    7.173000      0.2465000       7.606000 0.3295000       6.740000      0.3667000      0.8657000      0.4930000
  1 1 1      30    7   18 o    2.617000      0.6729000       2.617000 0.6729000                  ?              ?              ?              ?
  1 1 1      30    7   19 o    2.473000      0.4710000       2.577000 0.6424000       2.370000      0.6891000      0.2074000      0.9421000
  1 1 1      30    7   20 o    4.966000      0.3681000                  ?       ?   4.966000      0.3681000                  ?              ?
  1 1 1      30    7   21 o    2.721000      0.5495000       2.191000 0.8189000       3.252000      0.7328000      -1.062000       1.099000
  1 1 1      30    8    0 o    7.367000      0.3205000       7.309000 0.4500000       7.426000      0.4565000     -0.1168000      0.6410000
  1 1 1      30    8    1 o    5.634000      0.3893000       5.789000 0.5278000       5.480000      0.5725000      0.3083000      0.7786000
  1 1 1      30    8    2 o    12.55000      0.2717000       12.32000 0.3856000       12.78000      0.3829000     -0.4632000      0.5434000
  1 1 1      30    8    3 o    8.141000      0.2949000       8.138000 0.4089000       8.143000      0.4250000     -0.4628000E-02  0.5898000
  1 1 1      30    8    4 o    8.744000      0.2863000       8.388000 0.4063000       9.099000      0.4033000     -0.7113000      0.5725000
  1 1 1      30    8    5 o    9.705000      0.2737000       9.701000 0.3818000       9.709000      0.3922000     -0.8808000E-02  0.5473000
  1 1 1      30    8    6 o    7.260000      0.4624000       6.742000 0.6942000       7.778000      0.6110000      -1.036000      0.9248000
  1 1 1      30    8    7 o    2.178000      0.6707000       2.217000 0.9685000       2.138000      0.9282000      0.7949000E-01   1.341000
  1 1 1      30    8    8 f    3.274000      0.5630000       2.612000 0.8790000       3.937000      0.7038000      -1.324000       1.126000
  1 1 1      30    8    9 o    5.302000      0.5393000       5.780000 0.6664000       4.825000      0.8481000      0.9547000       1.079000
  1 1 1      30    8   10 o    2.298000      0.6446000       2.754000 0.9769000       1.842000      0.8413000      0.9122000       1.289000
  1 1 1      30    8   11 o    3.109000      0.5778000       2.863000 0.8437000       3.355000      0.7897000     -0.4920000       1.156000
  1 1 1      30    8   12 o    7.310000      0.2833000       7.412000 0.3910000       7.208000      0.4102000      0.2039000      0.5667000
  1 1 1      30    8   13 o    5.244000      0.3574000       5.800000 0.4350000       4.688000      0.5672000       1.112000      0.7148000
  1 1 1      30    8   14 o    5.963000      0.3088000       6.079000 0.4373000       5.848000      0.4362000      0.2307000      0.6176000
  1 1 1      30    8   15 o    3.330000      0.4916000       3.051000 0.7506000       3.609000      0.6351000     -0.5579000      0.9832000
  1 1 1      30    8   16 o    2.595000      0.5019000       3.362000 0.6792000       1.828000      0.7390000       1.534000       1.004000
  1 1 1      30    8   17 o    6.941000      0.2471000       6.742000 0.3464000       7.141000      0.3524000     -0.3984000      0.4942000
  1 1 1      30    8   18 o    3.207000      0.4322000       3.499000 0.5281000       2.914000      0.6844000      0.5851000      0.8645000
  1 1 1      30    8   19 o    3.729000      0.3614000       3.767000 0.4971000       3.691000      0.5248000      0.7641000E-01  0.7228000
  1 1 1      30    8   20 o    6.488000      0.2904000       6.368000 0.4774000       6.608000      0.3307000     -0.2400000      0.5808000
  1 1 1      30    8   21 o    3.070000      0.5297000       3.865000 0.6951000       2.274000      0.7996000       1.591000       1.059000
  1 1 1      30    8   22 o    1.943000      0.8032000       1.943000 0.8032000                  ?              ?              ?              ?
  1 1 1      30    9    0 o    7.551000      0.3249000       8.255000 0.4274000       6.847000      0.4893000       1.408000      0.6497000
  1 1 1      30    9    1 f    11.08000      0.2808000       10.78000 0.3991000       11.38000      0.3950000     -0.6035000      0.5615000
  1 1 1      30    9    2 o    19.41000      0.3166000       19.37000 0.4468000       19.46000      0.4489000     -0.9414000E-01  0.6333000
  1 1 1      30    9    3 o    5.484000      0.4060000       5.707000 0.5311000       5.261000      0.6143000      0.4455000      0.8120000
  1 1 1      30    9    4 o    3.988000      0.5072000       3.648000 0.7658000       4.328000      0.6654000     -0.6796000       1.014000
  1 1 1      30    9    5 o    4.470000      0.4653000       4.460000 0.6420000       4.479000      0.6737000     -0.1887000E-01  0.9306000
  1 1 1      30    9    6 o    5.379000      0.5698000       5.183000 0.8658000       5.574000      0.7411000     -0.3914000       1.140000
  1 1 1      30    9    7 o    3.546000      0.6074000       2.919000 1.072000       4.173000      0.5705000      -1.254000       1.215000
  1 1 1      30    9    8 f    3.816000      0.5177000       4.159000 0.6824000       3.474000      0.7788000      0.6855000       1.035000
  1 1 1      30    9    9 o    1.934000      0.6036000       1.622000 0.7707000       2.247000      0.9293000     -0.6247000       1.207000
  1 1 1      30    9   10 o    6.309000      0.4764000       7.093000 0.5858000       5.525000      0.7514000       1.568000      0.9528000
  1 1 1      30    9   11 o    5.623000      0.3480000       5.985000 0.4612000       5.261000      0.5213000      0.7237000      0.6960000
  1 1 1      30    9   12 o    11.48000      0.2561000       11.40000 0.3617000       11.57000      0.3628000     -0.1681000      0.5122000
  1 1 1      30    9   13 o    7.590000      0.2798000       7.523000 0.3922000       7.658000      0.3993000     -0.1351000      0.5597000
  1 1 1      30    9   14 o    7.028000      0.2865000       6.989000 0.4014000       7.066000      0.4090000     -0.7632000E-01  0.5730000
  1 1 1      30    9   15 o    2.948000      0.5248000       3.054000 0.7324000       2.842000      0.7518000      0.2116000       1.050000
  1 1 1      30    9   16 o    1.533000      0.4765000       1.738000 0.7217000       1.327000      0.6225000      0.4107000      0.9531000
  1 1 1      30    9   17 o    3.543000      0.4264000       3.452000 0.5942000       3.635000      0.6118000     -0.1822000      0.8528000
  1 1 1      30    9   18 o    2.712000      0.4872000       2.618000 0.6907000       2.807000      0.6873000     -0.1895000      0.9744000
  1 1 1      30    9   19 o    7.075000      0.2330000       7.189000 0.3288000       6.961000      0.3302000      0.2284000      0.4660000
  1 1 1      30    9   20 o    7.978000      0.2126000       7.931000 0.3044000       8.024000      0.2970000     -0.9261000E-01  0.4253000
  1 1 1      30    9   21 o    1.486000      0.4868000       1.621000 0.7429000       1.350000      0.6292000      0.2711000      0.9735000
  1 1 1      30    9   22 o    2.234000      0.5235000       2.918000 0.8558000       1.551000      0.6031000       1.368000       1.047000
  1 1 1      30   10    0 o    4.922000      0.4512000       4.512000 0.6968000       5.332000      0.5736000     -0.8195000      0.9025000
  1 1 1      30   10    1 o    2.980000      0.6138000       2.561000 0.8920000       3.399000      0.8434000     -0.8375000       1.228000
  1 1 1      30   10    2 o    3.863000      0.5358000       3.114000 0.8581000       4.613000      0.6419000      -1.498000       1.072000
  1 1 1      30   10    3 o    5.662000      0.3817000       5.287000 0.5572000       6.036000      0.5219000     -0.7494000      0.7635000
  1 1 1      30   10    4 o    2.859000      0.6138000       3.083000 0.8527000       2.634000      0.8832000      0.4495000       1.228000
  1 1 1      30   10    5 f    9.540000      0.2784000       9.510000 0.3993000       9.569000      0.3880000     -0.5917000E-01  0.5568000
  1 1 1      30   10    6 o    5.196000      0.5945000       5.840000 0.8263000       4.552000      0.8551000       1.288000       1.189000
  1 1 1      30   10    7 f    4.614000      0.3974000       4.352000 0.5786000       4.876000      0.5450000     -0.5235000      0.7949000
  1 1 1      30   10    8 o    3.847000      0.5401000       4.292000 0.6943000       3.402000      0.8276000      0.8895000       1.080000
  1 1 1      30   10    9 f    2.792000      0.7153000       2.621000 0.9859000       2.964000       1.037000     -0.3432000       1.431000
  1 1 1      30   10   10 o    5.459000      0.5435000       5.861000 0.6631000       5.057000      0.8613000      0.8039000       1.087000
  1 1 1      30   10   11 o    6.415000      0.3294000       6.337000 0.4887000       6.493000      0.4417000     -0.1559000      0.6587000
  1 1 1      30   10   12 o    8.129000      0.2858000       8.157000 0.4077000       8.100000      0.4006000      0.5735000E-01  0.5716000
  1 1 1      30   10   13 o    2.993000      0.5659000       2.510000 0.8551000       3.475000      0.7414000     -0.9649000       1.132000
  1 1 1      30   10   14 o    3.635000      0.4965000       3.133000 0.7786000       4.138000      0.6163000      -1.005000      0.9930000
  1 1 1      30   10   15 o    9.410000      0.2508000       9.948000 0.3545000       8.872000      0.3550000       1.076000      0.5017000
  1 1 1      30   10   16 o    3.237000      0.5071000       3.498000 0.6722000       2.976000      0.7593000      0.5226000       1.014000
  1 1 1      30   10   17 o    3.910000      0.4005000       3.615000 0.5839000       4.206000      0.5484000     -0.5918000      0.8010000
  1 1 1      30   10   18 o    2.345000      0.4901000       1.766000 0.7013000       2.924000      0.6849000      -1.159000      0.9803000
  1 1 1      30   10   19 o    5.620000      0.2679000       5.672000 0.3711000       5.568000      0.3866000      0.1044000      0.5358000
  1 1 1      30   10   20 o    4.158000      0.3367000       3.829000 0.5267000       4.488000      0.4195000     -0.6583000      0.6733000
  1 1 1      30   10   21 o    5.851000      0.2795000       5.658000 0.3705000       6.044000      0.4185000     -0.3867000      0.5590000
  1 1 1      30   10   22 o    3.001000      0.5589000       3.140000 0.8483000       2.861000      0.7278000      0.2794000       1.118000
  1 1 1      30   11    0 o    5.370000      0.4390000       4.933000 0.6708000       5.806000      0.5665000     -0.8732000      0.8780000
  1 1 1      30   11    1 o    8.939000      0.3038000       8.800000 0.4389000       9.079000      0.4203000     -0.2784000      0.6077000
  1 1 1      30   11    2 o    5.364000      0.4194000       5.552000 0.5905000       5.176000      0.5956000      0.3758000      0.8388000
  1 1 1      30   11    3 o    8.202000      0.3127000       8.095000 0.4551000       8.308000      0.4290000     -0.2136000      0.6254000
  1 1 1      30   11    4 o    5.617000      0.3968000       5.595000 0.5731000       5.638000      0.5491000     -0.4360000E-01  0.7937000
  1 1 1      30   11    5 o    6.680000      0.3542000       7.594000 0.4564000       5.766000      0.5417000       1.828000      0.7084000
  1 1 1      30   11    6 o    6.955000      0.4572000       6.746000 0.7042000       7.164000      0.5833000     -0.4181000      0.9144000
  1 1 1      30   11    7 o    3.252000      0.7417000       2.876000 1.084000       3.628000       1.012000     -0.7521000       1.483000
  1 1 1      30   11    8 o    8.611000      0.2903000       8.498000 0.4265000       8.723000      0.3941000     -0.2241000      0.5807000
  1 1 1      30   11    9 o    4.854000      0.6206000       4.805000 0.8949000       4.902000      0.8602000     -0.9680000E-01   1.241000
  1 1 1      30   11   10 o    10.26000      0.3829000       10.54000 0.5248000       9.984000      0.5576000      0.5571000      0.7657000
  1 1 1      30   11   11 o    4.805000      0.4270000       4.448000 0.6719000       5.162000      0.5269000     -0.7137000      0.8539000
  1 1 1      30   11   12 o    3.593000      0.5402000       3.896000 0.7270000       3.290000      0.7992000      0.6058000       1.080000
  1 1 1      30   11   13 o    7.425000      0.2898000       7.429000 0.4230000       7.421000      0.3963000      0.7463000E-02  0.5796000
  1 1 1      30   11   14 o    3.568000      0.5271000       3.715000 0.7415000       3.421000      0.7493000      0.2947000       1.054000
  1 1 1      30   11   15 o    7.742000      0.2743000       7.512000 0.4013000       7.972000      0.3739000     -0.4600000      0.5485000
  1 1 1      30   11   16 o    3.644000      0.4941000       3.310000 0.7846000       3.978000      0.6008000     -0.6679000      0.9882000
  1 1 1      30   11   17 o    3.687000      0.4744000       3.269000 0.7665000       4.105000      0.5594000     -0.8360000      0.9489000
  1 1 1      30   11   18 o    3.982000      0.3793000       4.029000 0.5416000       3.935000      0.5313000      0.9425000E-01  0.7586000
  1 1 1      30   11   19 o    9.125000      0.3133000       9.125000 0.3133000                  ?              ?              ?              ?
  1 1 1      30   11   20 o    1.598000      0.4713000       1.615000 0.6697000       1.582000      0.6635000      0.3266000E-01  0.9427000
  1 1 1      30   11   21 o    5.218000      0.3640000                  ?       ?   5.218000      0.3640000                  ?              ?
  1 1 1      30   11   22 o    3.729000      0.5033000       3.729000 0.8082000       3.728000      0.5999000      0.1462000E-02   1.007000
  1 1 1      30   12    0 o    7.129000      0.3447000       7.082000 0.4900000       7.176000      0.4849000     -0.9393000E-01  0.6893000
  1 1 1      30   12    1 o    18.66000      0.3121000       19.00000 0.4494000       18.32000      0.4333000      0.6888000      0.6243000
  1 1 1      30   12    2 o    12.62000      0.2817000       12.57000 0.4026000       12.67000      0.3943000     -0.1083000      0.5635000
  1 1 1      30   12    3 o    13.34000      0.2773000       13.30000 0.3954000       13.38000      0.3890000     -0.7247000E-01  0.5547000
  1 1 1      30   12    4 f    7.399000      0.3349000       7.721000 0.4689000       7.077000      0.4783000      0.6437000      0.6698000
  1 1 1      30   12    5 o    9.730000      0.2854000       9.967000 0.4078000       9.492000      0.3994000      0.4756000      0.5708000
  1 1 1      30   12    6 o    2.727000      0.7135000       2.494000 1.033000       2.960000      0.9844000     -0.4660000       1.427000
  1 1 1      30   12    7 o    8.363000      0.4223000       7.753000 0.6489000       8.972000      0.5407000      -1.219000      0.8447000
  1 1 1      30   12    8 o    11.91000      0.2685000       11.65000 0.3875000       12.16000      0.3718000     -0.5119000      0.5370000
  1 1 1      30   12    9 o    2.779000      0.7157000       3.220000 1.058000       2.338000      0.9636000      0.8815000       1.431000
  1 1 1      30   12   10 o    7.841000      0.4405000       8.337000 0.5750000       7.345000      0.6674000      0.9912000      0.8810000
  1 1 1      30   12   11 o    9.795000      0.2715000       9.477000 0.3954000       10.11000      0.3721000     -0.6356000      0.5430000
  1 1 1      30   12   12 o    1.959000      0.5725000       2.256000 0.8710000       1.662000      0.7432000      0.5941000       1.145000
  1 1 1      30   12   13 o    4.791000      0.4054000       4.522000 0.6220000       5.059000      0.5200000     -0.5372000      0.8108000
  1 1 1      30   12   14 o    2.477000      0.5964000       2.525000 0.8645000       2.430000      0.8219000      0.9476000E-01   1.193000
  1 1 1      30   12   15 o    3.263000      0.5431000       3.456000 0.7772000       3.069000      0.7588000      0.3870000       1.086000
  1 1 1      30   12   16 o    8.879000      0.2548000       8.415000 0.3804000       9.344000      0.3390000     -0.9292000      0.5095000
  1 1 1      30   12   17 o    6.022000      0.3016000       5.526000 0.4767000       6.518000      0.3695000     -0.9923000      0.6032000
  1 1 1      30   12   18 o    2.679000      0.4884000       3.396000 0.6392000       1.962000      0.7387000       1.434000      0.9769000
  1 1 1      30   12   19 f    8.158000      0.2420000       8.508000 0.3253000       7.807000      0.3584000      0.7010000      0.4840000
  1 1 1      30   12   20 o    3.068000      0.4499000       2.376000 0.7243000       3.760000      0.5338000      -1.384000      0.8998000
  1 1 1      30   12   21 o    4.734000      0.3968000                  ?       ?   4.734000      0.3968000                  ?              ?
  1 1 1      30   12   22 o    2.570000      0.5954000       2.677000 0.8998000       2.462000      0.7798000      0.2157000       1.191000
  1 1 1      30   13    0 f    7.165000      0.3476000       7.488000 0.4851000       6.843000      0.4981000      0.6445000      0.6953000
  1 1 1      30   13    1 o    7.620000      0.3280000       7.661000 0.4631000       7.579000      0.4645000      0.8195000E-01  0.6560000
  1 1 1      30   13    2 o    4.583000      0.4749000       4.947000 0.6522000       4.220000      0.6904000      0.7266000      0.9498000
  1 1 1      30   13    3 o    2.573000      0.6301000       2.286000 0.8907000       2.860000      0.8915000     -0.5741000       1.260000
  1 1 1      30   13    4 o    7.802000      0.3177000       7.883000 0.4497000       7.720000      0.4490000      0.1638000      0.6355000
  1 1 1      30   13    5 o    8.350000      0.3003000       8.230000 0.4418000       8.469000      0.4070000     -0.2388000      0.6007000
  1 1 1      30   13    6 f    2.129000      0.6033000       2.427000 0.9078000       1.832000      0.7947000      0.5946000       1.207000
  1 1 1      30   13    7 o    2.766000      0.7305000       2.635000 1.061000       2.898000       1.005000     -0.2624000       1.461000
  1 1 1      30   13    8 o    4.919000      0.4661000       4.009000 0.7716000       5.829000      0.5230000      -1.820000      0.9322000
  1 1 1      30   13    9 o    3.080000      0.6085000       2.825000 0.9178000       3.335000      0.7991000     -0.5103000       1.217000
  1 1 1      30   13   10 o    3.866000      0.7143000       4.388000 0.9513000       3.344000       1.066000       1.043000       1.429000
  1 1 1      30   13   11 o    2.803000      0.6199000       2.647000 0.9165000       2.960000      0.8349000     -0.3125000       1.240000
  1 1 1      30   13   12 o    4.443000      0.4559000       4.543000 0.6750000       4.343000      0.6130000      0.2001000      0.9118000
  1 1 1      30   13   13 o    2.910000      0.5877000       3.172000 0.8337000       2.649000      0.8285000      0.5237000       1.175000
  1 1 1      30   13   14 o    4.467000      0.4331000       4.780000 0.5968000       4.154000      0.6277000      0.6257000      0.8661000
  1 1 1      30   13   15 o    8.037000      0.2727000       8.024000 0.3984000       8.049000      0.3726000     -0.2504000E-01  0.5455000
  1 1 1      30   13   16 o    5.864000      0.3162000       6.146000 0.4491000       5.583000      0.4452000      0.5633000      0.6324000
  1 1 1      30   13   17 o    4.970000      0.3501000       5.202000 0.5079000       4.738000      0.4819000      0.4641000      0.7001000
  1 1 1      30   13   18 o    2.959000      0.4795000       2.182000 0.7719000       3.736000      0.5692000      -1.554000      0.9591000
  1 1 1      30   13   19 o    6.474000      0.2658000       6.249000 0.4014000       6.700000      0.3485000     -0.4512000      0.5316000
  1 1 1      30   13   20 o    4.086000      0.3496000       4.267000 0.4827000       3.904000      0.5060000      0.3631000      0.6993000
  1 1 1      30   13   21 o    2.849000      0.4565000       2.159000 0.7524000       3.539000      0.5170000      -1.379000      0.9130000
  1 1 1      30   13   22 o    2.333000      0.5011000       2.318000 0.7441000       2.348000      0.6713000     -0.2942000E-01   1.002000
  1 1 1      30   14    0 o    8.354000      0.3173000       8.227000 0.4621000       8.481000      0.4350000     -0.2538000      0.6347000
  1 1 1      30   14    1 o    3.536000      0.5773000       4.385000 0.7345000       2.687000      0.8910000       1.698000       1.155000
  1 1 1      30   14    2 o    3.498000      0.6050000       3.508000 0.8887000       3.488000      0.8212000      0.1957000E-01   1.210000
  1 1 1      30   14    3 o    7.519000      0.3243000       7.231000 0.4781000       7.807000      0.4382000     -0.5763000      0.6486000
  1 1 1      30   14    4 o    6.457000      0.3648000       6.526000 0.5199000       6.387000      0.5118000      0.1383000      0.7295000
  1 1 1      30   14    5 o    2.638000      0.6378000       2.603000 0.9196000       2.672000      0.8840000     -0.6878000E-01   1.276000
  1 1 1      30   14    6 o    10.78000      0.2816000       10.82000 0.4125000       10.73000      0.3836000      0.9184000E-01  0.5632000
  1 1 1      30   14    7 f    4.017000      0.6994000       4.649000 0.9793000       3.385000      0.9987000       1.264000       1.399000
  1 1 1      30   14    8 o    7.117000      0.3211000       7.388000 0.4533000       6.847000      0.4549000      0.5403000      0.6422000
  1 1 1      30   14    9 o    5.595000      0.3859000       6.315000 0.5175000       4.875000      0.5726000       1.440000      0.7718000
  1 1 1      30   14   10 o    3.395000      0.7442000       3.800000 1.031000       2.991000       1.074000      0.8088000       1.488000
  1 1 1      30   14   11 o    2.291000      0.6795000       2.702000 1.040000       1.881000      0.8750000      0.8216000       1.359000
  1 1 1      30   14   12 o    5.425000      0.3835000       5.445000 0.5709000       5.405000      0.5123000      0.3904000E-01  0.7671000
  1 1 1      30   14   13 o    6.074000      0.3431000       6.047000 0.5143000       6.100000      0.4543000     -0.5262000E-01  0.6862000
  1 1 1      30   14   14 o    5.791000      0.3499000       5.821000 0.5244000       5.761000      0.4635000      0.5993000E-01  0.6999000
  1 1 1      30   14   15 o    7.478000      0.2867000       7.309000 0.4325000       7.648000      0.3765000     -0.3381000      0.5734000
  1 1 1      30   14   16 o    2.319000      0.5417000       3.031000 0.8252000       1.608000      0.7019000       1.423000       1.083000
  1 1 1      30   14   17 o    6.616000      0.2893000       6.349000 0.4412000       6.884000      0.3742000     -0.5349000      0.5785000
  1 1 1      30   14   18 o    9.526000      0.2404000       9.289000 0.3550000       9.763000      0.3241000     -0.4740000      0.4807000
  1 1 1      30   14   19 o    5.434000      0.3045000       4.956000 0.4746000       5.913000      0.3817000     -0.9576000      0.6091000
  1 1 1      30   14   20 o    4.281000      0.3648000       4.186000 0.5459000       4.377000      0.4842000     -0.1915000      0.7297000
  1 1 1      30   14   21 o    5.474000      0.3652000       5.235000 0.4260000       5.714000      0.5934000     -0.4789000      0.7304000
  1 1 1      30   14   22 o    1.550000      0.4665000       1.705000 0.7039000       1.395000      0.6124000      0.3109000      0.9330000
  1 1 1      30   15    0 o    6.586000      0.3722000       6.739000 0.5288000       6.433000      0.5240000      0.3061000      0.7444000
  1 1 1      30   15    1 o    4.135000      0.5459000       4.280000 0.7858000       3.989000      0.7580000      0.2912000       1.092000
  1 1 1      30   15    2 o    7.597000      0.3349000       7.484000 0.4976000       7.710000      0.4485000     -0.2255000      0.6699000
  1 1 1      30   15    3 o    6.475000      0.3718000       5.969000 0.5657000       6.980000      0.4826000      -1.012000      0.7436000
  1 1 1      30   15    4 o    5.579000      0.3977000       5.724000 0.5671000       5.435000      0.5578000      0.2893000      0.7955000
  1 1 1      30   15    5 o    3.749000      0.5751000       3.969000 0.8043000       3.530000      0.8222000      0.4393000       1.150000
  1 1 1      30   15    6 o    7.234000      0.3331000       7.211000 0.4991000       7.256000      0.4414000     -0.4487000E-01  0.6662000
  1 1 1      30   15    7 f    7.169000      0.4575000       7.427000 0.6955000       6.911000      0.5946000      0.5161000      0.9150000
  1 1 1      30   15    8 o    4.839000      0.6549000       4.214000 1.092000       5.463000      0.7233000      -1.250000       1.310000
  1 1 1      30   15    9 o    3.566000      0.5737000       3.830000 0.8189000       3.303000      0.8035000      0.5272000       1.147000
  1 1 1      30   15   10 o    2.679000      0.6136000       3.281000 0.9076000       2.077000      0.8261000       1.204000       1.227000
  1 1 1      30   15   11 o    3.659000      0.7758000       3.554000 1.101000       3.764000       1.094000     -0.2093000       1.552000
  1 1 1      30   15   12 f    2.933000      0.6154000       3.358000 0.8829000       2.508000      0.8575000      0.8505000       1.231000
  1 1 1      30   15   13 f    6.305000      0.3459000       6.469000 0.5135000       6.141000      0.4636000      0.3281000      0.6919000
  1 1 1      30   15   14 o    2.421000      0.6047000       2.400000 0.8808000       2.442000      0.8288000     -0.4142000E-01   1.209000
  1 1 1      30   15   15 o    8.403000      0.2723000       8.639000 0.3899000       8.167000      0.3801000      0.4722000      0.5445000
  1 1 1      30   15   16 o    4.412000      0.4380000       3.917000 0.7131000       4.908000      0.5089000     -0.9907000      0.8761000
  1 1 1      30   15   17 o    8.699000      0.2562000       8.969000 0.3769000       8.430000      0.3472000      0.5398000      0.5124000
  1 1 1      30   15   18 o    5.734000      0.4462000       6.306000 0.4557000       5.162000      0.7672000       1.144000      0.8923000
  1 1 1      30   15   19 o    2.146000      0.5176000       1.679000 0.7315000       2.612000      0.7327000     -0.9330000       1.035000
  1 1 1      30   15   20 o    1.913000      0.7674000       1.913000 0.7674000                  ?              ?              ?              ?
  1 1 1      30   15   21 o    4.308000      0.3511000       3.896000 0.5597000       4.720000      0.4241000     -0.8241000      0.7023000
  1 1 1      30   15   22 o    3.225000      0.4101000       2.803000 0.6531000       3.648000      0.4963000     -0.8452000      0.8203000
  1 1 1      30   16    0 o    4.265000      0.5575000       5.465000 0.6333000       3.065000      0.9177000       2.400000       1.115000
  1 1 1      30   16    1 o    2.604000      0.6448000       2.358000 0.9241000       2.850000      0.8995000     -0.4924000       1.290000
  1 1 1      30   16    2 o    10.58000      0.3509000       10.98000 0.5695000       10.19000      0.4101000      0.7883000      0.7018000
  1 1 1      30   16    3 o    2.566000      0.6452000       2.409000 0.9197000       2.723000      0.9051000     -0.3147000       1.290000
  1 1 1      30   16    4 o    8.127000      0.3153000       8.526000 0.4426000       7.728000      0.4493000      0.7979000      0.6307000
  1 1 1      30   16    5 o    2.626000      0.6489000       2.543000 0.9326000       2.709000      0.9026000     -0.1654000       1.298000
  1 1 1      30   16    6 f    3.655000      0.5900000       3.945000 0.8438000       3.366000      0.8248000      0.5787000       1.180000
  1 1 1      30   16    7 o    9.196000      0.2927000       9.329000 0.4273000       9.063000      0.4001000      0.2660000      0.5854000
  1 1 1      30   16    8 o    4.152000      0.7039000       4.504000 1.041000       3.800000      0.9477000      0.7036000       1.408000
  1 1 1      30   16    9 o    3.421000      0.7255000       3.891000 1.094000       2.952000      0.9528000      0.9387000       1.451000
  1 1 1      30   16   10 o    3.079000      0.6299000       3.433000 0.9075000       2.725000      0.8738000      0.7078000       1.260000
  1 1 1      30   16   11 o    6.045000      0.4331000       6.687000 0.7417000       5.404000      0.4474000       1.283000      0.8662000
  1 1 1      30   16   12 o    4.117000      0.7520000       3.300000 1.129000       4.934000      0.9934000      -1.634000       1.504000
  1 1 1      30   16   13 o    2.651000      0.6056000       2.494000 0.9028000       2.809000      0.8074000     -0.3147000       1.211000
  1 1 1      30   16   14 o    3.063000      0.5826000       3.528000 0.8333000       2.599000      0.8144000      0.9291000       1.165000
  1 1 1      30   16   15 o    2.247000      0.5952000       2.290000 0.8761000       2.204000      0.8060000      0.8651000E-01   1.190000
  1 1 1      30   16   16 o    7.454000      0.2947000       7.046000 0.4497000       7.862000      0.3811000     -0.8165000      0.5895000
  1 1 1      30   16   17 o    2.921000      0.5764000       3.192000 0.8484000       2.649000      0.7805000      0.5432000       1.153000
  1 1 1      30   16   18 o    5.789000      0.3258000       5.689000 0.4891000       5.889000      0.4305000     -0.1996000      0.6516000
  1 1 1      30   16   19 o    2.111000      0.5547000       2.196000 0.8214000       2.026000      0.7458000      0.1707000       1.109000
  1 1 1      30   16   20 o    1.926000      0.7676000       1.926000 0.7676000                  ?              ?              ?              ?
  1 1 1      30   16   21 o    3.922000      0.4081000       3.477000 0.6659000       4.367000      0.4721000     -0.8900000      0.8162000
  1 1 1      30   16   22 o    5.570000      0.3689000                  ?       ?   5.570000      0.3689000                  ?              ?
  1 1 1      30   17    0 o    6.740000      0.3814000       7.307000 0.5275000       6.173000      0.5510000       1.134000      0.7628000
  1 1 1      30   17    1 o    8.106000      0.3338000       8.063000 0.4883000       8.149000      0.4553000     -0.8523000E-01  0.6676000
  1 1 1      30   17    2 o    9.893000      0.2992000       9.715000 0.4327000       10.07000      0.4133000     -0.3557000      0.5983000
  1 1 1      30   17    3 o    3.659000      0.6081000       3.523000 0.9036000       3.795000      0.8140000     -0.2721000       1.216000
  1 1 1      30   17    4 f    10.24000      0.2912000       10.34000 0.4183000       10.15000      0.4053000      0.1934000      0.5825000
  1 1 1      30   17    5 o    5.787000      0.4011000       5.645000 0.5880000       5.928000      0.5456000     -0.2836000      0.8021000
  1 1 1      30   17    6 o    5.583000      0.4002000       5.671000 0.5811000       5.495000      0.5503000      0.1761000      0.8004000
  1 1 1      30   17    7 o    7.218000      0.3392000       7.572000 0.4947000       6.863000      0.4643000      0.7094000      0.6784000
  1 1 1      30   17    8 o    2.132000      0.5934000       1.653000 0.7737000       2.610000      0.9000000     -0.9576000       1.187000
  1 1 1      30   17    9 o    3.763000      0.7073000       4.660000 1.027000       2.866000      0.9733000       1.794000       1.415000
  1 1 1      30   17   10 o    4.178000      0.5019000       3.944000 0.7555000       4.411000      0.6610000     -0.4668000       1.004000
  1 1 1      30   17   11 o    5.681000      0.3671000       5.708000 0.5545000       5.654000      0.4813000      0.5421000E-01  0.7342000
  1 1 1      30   17   12 f    4.867000      0.7117000       4.521000 1.023000       5.213000      0.9897000     -0.6916000       1.423000
  1 1 1      30   17   13 o    6.692000      0.5315000       6.185000 0.7661000       7.198000      0.7369000      -1.013000       1.063000
  1 1 1      30   17   14 o    2.917000      0.6111000       3.109000 0.9015000       2.724000      0.8251000      0.3848000       1.222000
  1 1 1      30   17   15 o    5.609000      0.3667000       5.501000 0.5691000       5.717000      0.4626000     -0.2164000      0.7334000
  1 1 1      30   17   16 f    5.785000      0.3420000       5.865000 0.5229000       5.706000      0.4410000      0.1590000      0.6840000
  1 1 1      30   17   17 o    2.020000      0.5558000       1.794000 0.7836000       2.246000      0.7883000     -0.4515000       1.112000
  1 1 1      30   17   18 o    3.819000      0.4961000       2.957000 0.8621000       4.681000      0.4911000      -1.724000      0.9922000
  1 1 1      30   17   19 o    3.026000      0.5129000       2.560000 0.8432000       3.492000      0.5841000     -0.9322000       1.026000
  1 1 1      30   17   20 o    2.687000      0.5138000       2.673000 0.8282000       2.701000      0.6082000     -0.2855000E-01   1.028000
  1 1 1      30   17   21 o    4.985000      0.3286000       4.652000 0.5059000       5.318000      0.4195000     -0.6655000      0.6572000
  1 1 1      30   17   22 o    2.798000      0.5249000       3.333000 0.7495000       2.264000      0.7350000       1.069000       1.050000
  1 1 1      30   18    0 o    7.181000      0.3705000       6.892000 0.5569000       7.470000      0.4889000     -0.5783000      0.7411000
  1 1 1      30   18    1 o    5.975000      0.4045000       5.889000 0.5996000       6.062000      0.5431000     -0.1732000      0.8090000
  1 1 1      30   18    2 o    1.658000      0.5424000       1.733000 0.7930000       1.582000      0.7402000      0.1510000       1.085000
  1 1 1      30   18    3 o    4.196000      0.5605000       4.394000 0.7944000       3.997000      0.7910000      0.3970000       1.121000
  1 1 1      30   18    4 o    7.643000      0.3339000       7.668000 0.4888000       7.617000      0.4550000      0.5151000E-01  0.6678000
  1 1 1      30   18    5 o    7.606000      0.3382000       7.603000 0.4798000       7.609000      0.4767000     -0.5636000E-02  0.6764000
  1 1 1      30   18    6 o    3.827000      0.5850000       3.313000 0.9238000       4.341000      0.7180000      -1.028000       1.170000
  1 1 1      30   18    7 o    5.240000      0.4324000       5.120000 0.6608000       5.361000      0.5579000     -0.2412000      0.8648000
  1 1 1      30   18    8 o    4.737000      0.4710000       5.239000 0.6457000       4.234000      0.6858000       1.006000      0.9419000
  1 1 1      30   18    9 o    2.063000      0.5911000       2.520000 0.9372000       1.607000      0.7206000      0.9133000       1.182000
  1 1 1      30   18   10 o    4.216000      0.6538000       3.959000 1.060000       4.474000      0.7655000     -0.5150000       1.308000
  1 1 1      30   18   11 o    2.196000      0.5819000       1.821000 0.7974000       2.572000      0.8478000     -0.7512000       1.164000
  1 1 1      30   18   12 o    6.479000      0.3419000       6.714000 0.5188000       6.245000      0.4455000      0.4698000      0.6839000
  1 1 1      30   18   13 o    3.872000      0.6156000       3.486000 1.101000       4.257000      0.5507000     -0.7706000       1.231000
  1 1 1      30   18   14 o    5.297000      0.6356000       5.709000 0.7877000       4.885000      0.9977000      0.8238000       1.271000
  1 1 1      30   18   15 o    6.718000      0.3163000       6.631000 0.4917000       6.805000      0.3981000     -0.1740000      0.6327000
  1 1 1      30   18   16 o    2.159000      0.5750000       2.370000 0.8727000       1.948000      0.7489000      0.4214000       1.150000
  1 1 1      30   18   17 o    2.530000      0.5590000       2.058000 0.8357000       3.001000      0.7427000     -0.9439000       1.118000
  1 1 1      30   18   18 o    1.945000      0.5394000       1.689000 0.7523000       2.201000      0.7733000     -0.5120000       1.079000
  1 1 1      30   18   19 o    1.775000      0.5272000       1.838000 0.7696000       1.712000      0.7207000      0.1262000       1.054000
  1 1 1      30   18   20 o    2.137000      0.5597000       2.412000 0.8333000       1.863000      0.7476000      0.5489000       1.119000
  1 1 1      30   18   21 o    1.665000      0.5046000       2.058000 0.8103000       1.273000      0.6016000      0.7844000       1.009000
  1 1 1      30   18   22 o    3.930000      0.4136000       3.816000 0.6308000       4.045000      0.5352000     -0.2288000      0.8272000
  1 1 1      30   19    0 o    3.535000      0.6542000       3.346000 0.9557000       3.724000      0.8936000     -0.3774000       1.308000
  1 1 1      30   19    1 f    10.39000      0.3036000       10.42000 0.4384000       10.36000      0.4203000      0.5770000E-01  0.6073000
  1 1 1      30   19    2 o    9.948000      0.3071000       10.27000 0.4403000       9.621000      0.4282000      0.6535000      0.6141000
  1 1 1      30   19    3 o    7.051000      0.3604000       6.952000 0.5329000       7.150000      0.4853000     -0.1978000      0.7208000
  1 1 1      30   19    4 o    9.433000      0.3044000       9.495000 0.4363000       9.372000      0.4247000      0.1230000      0.6089000
  1 1 1      30   19    5 o    8.784000      0.3180000       8.620000 0.4588000       8.948000      0.4405000     -0.3284000      0.6361000
  1 1 1      30   19    6 o    2.707000      0.6450000       3.073000 0.9491000       2.341000      0.8737000      0.7320000       1.290000
  1 1 1      30   19    7 o    6.991000      0.3446000       7.178000 0.5021000       6.805000      0.4721000      0.3730000      0.6892000
  1 1 1      30   19    8 o    5.338000      0.4272000       4.943000 0.6727000       5.732000      0.5267000     -0.7895000      0.8543000
  1 1 1      30   19    9 o    6.270000      0.3490000       6.246000 0.5336000       6.295000      0.4499000     -0.4888000E-01  0.6979000
  1 1 1      30   19   10 o    7.195000      0.3314000       6.978000 0.4861000       7.412000      0.4506000     -0.4338000      0.6628000
  1 1 1      30   19   11 o    6.414000      0.4781000       5.997000 0.7830000       6.831000      0.5489000     -0.8341000      0.9563000
  1 1 1      30   19   12 o    5.118000      0.5734000       5.031000 0.9723000       5.205000      0.6080000     -0.1735000       1.147000
  1 1 1      30   19   13 o    4.936000      0.4306000       4.654000 0.6845000       5.218000      0.5227000     -0.5639000      0.8612000
  1 1 1      30   19   14 o    4.554000      0.4336000       4.966000 0.6242000       4.141000      0.6020000      0.8249000      0.8672000
  1 1 1      30   19   15 o    7.393000      0.5055000       6.879000 0.7111000       7.907000      0.7186000      -1.029000       1.011000
  1 1 1      30   19   16 o    3.046000      0.7648000       3.207000 1.082000       2.885000       1.081000      0.3221000       1.530000
  1 1 1      30   19   17 o    4.748000      0.4061000       5.056000 0.6058000       4.440000      0.5410000      0.6161000      0.8122000
  1 1 1      30   19   18 f    5.627000      0.3445000       5.492000 0.5375000       5.763000      0.4311000     -0.2708000      0.6890000
  1 1 1      30   19   19 o    3.864000      0.4780000       4.382000 0.6394000       3.345000      0.7107000       1.037000      0.9560000
  1 1 1      30   19   20 o    3.905000      0.4466000       4.025000 0.6602000       3.785000      0.6017000      0.2399000      0.8933000
  1 1 1      30   19   21 o    2.443000      0.5255000       3.262000 0.7812000       1.625000      0.7031000       1.637000       1.051000
  1 1 1      30   20    0 o    3.220000      0.6710000       3.903000 0.9402000       2.537000      0.9575000       1.365000       1.342000
  1 1 1      30   20    1 o    9.921000      0.3112000       9.795000 0.4623000       10.05000      0.4168000     -0.2526000      0.6224000
  1 1 1      30   20    2 o    3.920000      0.5841000       5.101000 0.7270000       2.740000      0.9144000       2.361000       1.168000
  1 1 1      30   20    3 o    2.497000      0.6421000       2.147000 0.9050000       2.848000      0.9111000     -0.7004000       1.284000
  1 1 1      30   20    4 o    7.577000      0.3438000       8.224000 0.4778000       6.930000      0.4945000       1.294000      0.6876000
  1 1 1      30   20    5 o    6.401000      0.3773000       5.811000 0.5892000       6.991000      0.4715000      -1.180000      0.7546000
  1 1 1      30   20    6 o    5.816000      0.4111000       5.306000 0.6351000       6.326000      0.5223000      -1.019000      0.8223000
  1 1 1      30   20    7 o    3.386000      0.6166000       3.785000 0.8724000       2.986000      0.8717000      0.7996000       1.233000
  1 1 1      30   20    8 o    3.159000      0.6073000       3.400000 0.8965000       2.918000      0.8193000      0.4812000       1.215000
  1 1 1      30   20    9 o    6.619000      0.3447000       6.550000 0.5091000       6.688000      0.4647000     -0.1378000      0.6893000
  1 1 1      30   20   10 o    5.919000      0.3755000       5.810000 0.5696000       6.027000      0.4893000     -0.2168000      0.7509000
  1 1 1      30   20   11 o    3.419000      0.6016000       3.577000 0.8577000       3.261000      0.8439000      0.3159000       1.203000
  1 1 1      30   20   12 o    2.571000      0.6979000       2.735000 1.067000       2.407000      0.9000000      0.3281000       1.396000
  1 1 1      30   20   13 o    9.132000      0.3784000       8.359000 0.6174000       9.905000      0.4376000      -1.546000      0.7568000
  1 1 1      30   20   14 o    6.054000      0.3582000       5.568000 0.5815000       6.540000      0.4186000     -0.9725000      0.7165000
  1 1 1      30   20   15 o    6.294000      0.3268000       6.086000 0.5126000       6.502000      0.4056000     -0.4161000      0.6537000
  1 1 1      30   20   16 o    5.328000      0.6162000       4.874000 0.9410000       5.781000      0.7957000     -0.9066000       1.232000
  1 1 1      30   20   17 o    2.437000      0.7094000       2.673000 1.053000       2.200000      0.9503000      0.4736000       1.419000
  1 1 1      30   20   18 o    6.410000      0.5057000       7.205000 0.6204000       5.614000      0.7988000       1.591000       1.011000
  1 1 1      30   20   19 o    1.701000      0.5291000       1.734000 0.7677000       1.669000      0.7282000      0.6487000E-01   1.058000
  1 1 1      30   20   20 o    5.254000      0.3490000       5.710000 0.4814000       4.798000      0.5053000      0.9116000      0.6979000
  1 1 1      30   20   21 o    1.937000      0.7955000       1.937000 0.7955000                  ?              ?              ?              ?
  1 1 1      30   21    0 o    5.092000      0.5274000       4.853000 0.8328000       5.331000      0.6472000     -0.4782000       1.055000
  1 1 1      30   21    1 o    7.985000      0.3511000       8.410000 0.5019000       7.559000      0.4911000      0.8516000      0.7022000
  1 1 1      30   21    2 o    5.702000      0.4368000       5.952000 0.6169000       5.452000      0.6185000      0.5003000      0.8735000
  1 1 1      30   21    3 o    1.889000      0.5854000       1.912000 0.8449000       1.866000      0.8104000      0.4563000E-01   1.171000
  1 1 1      30   21    4 f    6.029000      0.3949000       5.946000 0.6011000       6.113000      0.5123000     -0.1669000      0.7898000
  1 1 1      30   21    5 o    3.381000      0.5560000       4.564000 0.7148000       2.199000      0.8519000       2.365000       1.112000
  1 1 1      30   21    6 o    10.11000      0.2839000       10.08000 0.4066000       10.13000      0.3964000     -0.5407000E-01  0.5678000
  1 1 1      30   21    7 o    2.430000      0.6407000       2.634000 0.9588000       2.226000      0.8501000      0.4082000       1.281000
  1 1 1      30   21    8 o    6.277000      0.3851000       5.595000 0.6186000       6.960000      0.4588000      -1.365000      0.7702000
  1 1 1      30   21    9 o    5.543000      0.4120000       5.389000 0.6278000       5.697000      0.5337000     -0.3080000      0.8240000
  1 1 1      30   21   10 o    2.093000      0.6016000       2.118000 0.8786000       2.068000      0.8219000      0.5053000E-01   1.203000
  1 1 1      30   21   11 o    4.633000      0.4589000       4.804000 0.6879000       4.462000      0.6075000      0.3425000      0.9178000
  1 1 1      30   21   12 o    2.148000      0.5633000       1.665000 0.7727000       2.631000      0.8197000     -0.9660000       1.127000
  1 1 1      30   21   13 o    6.128000      0.3515000       6.075000 0.5421000       6.182000      0.4475000     -0.1071000      0.7029000
  1 1 1      30   21   14 o    4.114000      0.6226000       3.446000 1.094000       4.783000      0.5958000      -1.337000       1.245000
  1 1 1      30   21   15 o    4.646000      0.5615000       5.219000 0.8469000       4.073000      0.7374000       1.147000       1.123000
  1 1 1      30   21   16 o    7.374000      0.3090000       6.807000 0.4821000       7.942000      0.3866000      -1.135000      0.6180000
  1 1 1      30   21   17 o    2.127000      0.5696000       1.737000 0.7803000       2.517000      0.8301000     -0.7799000       1.139000
  1 1 1      30   21   18 o    3.276000      0.7431000       3.038000 1.023000       3.515000       1.079000     -0.4775000       1.486000
  1 1 1      30   21   19 o    4.355000      0.6838000       4.417000 0.8918000       4.292000       1.037000      0.1258000       1.368000
  1 1 1      30   21   20 o    4.703000      0.5981000       4.625000 0.8562000       4.781000      0.8353000     -0.1561000       1.196000
  1 1 1      30   22    0 o    2.870000      0.6485000       3.716000 0.9676000       2.023000      0.8637000       1.692000       1.297000
  1 1 1      30   22    1 o    4.276000      0.5598000       4.184000 0.8801000       4.368000      0.6922000     -0.1836000       1.120000
  1 1 1      30   22    2 o    5.137000      0.4790000       4.790000 0.7704000       5.483000      0.5696000     -0.6930000      0.9581000
  1 1 1      30   22    3 o    2.273000      0.6194000       2.803000 0.9760000       1.744000      0.7630000       1.059000       1.239000
  1 1 1      30   22    4 f    6.395000      0.3822000       6.214000 0.5812000       6.575000      0.4965000     -0.3611000      0.7644000
  1 1 1      30   22    5 o    3.336000      0.6165000       3.014000 0.9248000       3.658000      0.8155000     -0.6448000       1.233000
  1 1 1      30   22    6 o    9.112000      0.3066000       8.669000 0.4648000       9.556000      0.4001000     -0.8870000      0.6133000
  1 1 1      30   22    7 o    3.844000      0.5808000       3.891000 0.8588000       3.798000      0.7821000      0.9245000E-01   1.162000
  1 1 1      30   22    8 o    8.939000      0.3072000       8.724000 0.4461000       9.154000      0.4225000     -0.4306000      0.6144000
  1 1 1      30   22    9 o    3.733000      0.5772000       3.650000 0.8772000       3.817000      0.7503000     -0.1667000       1.154000
  1 1 1      30   22   10 o    2.348000      0.6103000       2.697000 0.9200000       1.999000      0.8022000      0.6978000       1.221000
  1 1 1      30   22   11 o    6.384000      0.3443000       6.170000 0.5337000       6.598000      0.4351000     -0.4276000      0.6886000
  1 1 1      30   22   12 o    3.217000      0.6004000       3.114000 0.9061000       3.320000      0.7879000     -0.2061000       1.201000
  1 1 1      30   22   13 o    4.763000      0.4432000       4.594000 0.6974000       4.932000      0.5470000     -0.3381000      0.8864000
  1 1 1      30   22   14 o    2.535000      0.6205000       2.737000 0.9233000       2.333000      0.8294000      0.4040000       1.241000
  1 1 1      30   22   15 o    4.019000      0.6574000       3.203000 1.123000       4.836000      0.6833000      -1.633000       1.315000
  1 1 1      30   22   16 o    3.283000      0.6923000       4.191000 1.062000       2.374000      0.8880000       1.818000       1.385000
  1 1 1      30   22   17 o    2.741000      0.6504000       2.113000 0.9532000       3.369000      0.8852000      -1.256000       1.301000
  1 1 1      30   22   18 o    3.564000      0.5224000       2.791000 0.8680000       4.337000      0.5816000      -1.545000       1.045000
  1 1 1      30   22   19 o    4.762000      0.4081000       4.565000 0.6475000       4.958000      0.4969000     -0.3930000      0.8162000
  1 1 1      30   22   20 o    3.946000      0.4842000       4.151000 0.6505000       3.741000      0.7174000      0.4107000      0.9684000
  1 1 1      30   23    0 o    3.400000      0.6820000       3.388000 1.022000       3.413000      0.9034000     -0.2475000E-01   1.364000
  1 1 1      30   23    1 o    1.865000      0.5839000       1.892000 0.8475000       1.839000      0.8035000      0.5323000E-01   1.168000
  1 1 1      30   23    2 o    3.352000      0.6219000       2.687000 0.9751000       4.017000      0.7722000      -1.330000       1.244000
  1 1 1      30   23    3 o    3.655000      0.6325000       3.528000 0.9643000       3.783000      0.8186000     -0.2551000       1.265000
  1 1 1      30   23    4 o    6.447000      0.3852000       6.169000 0.5924000       6.725000      0.4926000     -0.5562000      0.7705000
  1 1 1      30   23    5 o    4.126000      0.5787000       4.247000 0.8454000       4.005000      0.7905000      0.2418000       1.157000
  1 1 1      30   23    6 o    2.811000      0.6618000       2.345000 0.9416000       3.277000      0.9303000     -0.9313000       1.324000
  1 1 1      30   23    7 o    3.053000      0.6413000       3.639000 0.9308000       2.467000      0.8824000       1.172000       1.283000
  1 1 1      30   23    8 o    5.526000      0.4056000       5.680000 0.6104000       5.373000      0.5343000      0.3074000      0.8112000
  1 1 1      30   23    9 o    2.745000      0.6205000       3.407000 0.9196000       2.084000      0.8334000       1.323000       1.241000
  1 1 1      30   23   10 f    1.750000      0.5514000       1.906000 0.8335000       1.595000      0.7222000      0.3110000       1.103000
  1 1 1      30   23   11 o    3.546000      0.5548000       2.596000 0.9258000       4.496000      0.6117000      -1.900000       1.110000
  1 1 1      30   23   12 o    5.315000      0.4214000       4.639000 0.6940000       5.991000      0.4781000      -1.352000      0.8427000
  1 1 1      30   23   13 o    6.680000      0.3410000       6.340000 0.5329000       7.019000      0.4255000     -0.6788000      0.6820000
  1 1 1      30   23   14 o    5.261000      0.4256000       4.667000 0.6824000       5.856000      0.5087000      -1.189000      0.8511000
  1 1 1      30   23   15 o    5.307000      0.4108000       5.145000 0.6375000       5.470000      0.5183000     -0.3254000      0.8216000
  1 1 1      30   23   16 o    2.806000      0.6135000       2.569000 0.8988000       3.043000      0.8354000     -0.4740000       1.227000
  1 1 1      30   23   17 o    2.317000      0.5669000       1.764000 0.7798000       2.870000      0.8230000      -1.106000       1.134000
  1 1 1      30   23   18 o    2.259000      0.6563000       2.535000 1.004000       1.984000      0.8458000      0.5506000       1.313000
  1 1 1      30   23   19 o    6.203000      0.4772000       5.822000 0.7621000       6.583000      0.5745000     -0.7609000      0.9544000
  1 1 1      30   24    0 o    6.188000      0.6664000       6.828000 0.8142000       5.548000       1.055000       1.280000       1.333000
  1 1 1      30   24    1 o    3.723000      0.8158000       2.997000 1.005000       4.448000       1.286000      -1.452000       1.632000
  1 1 1      30   24    2 o    1.843000      0.5825000       1.970000 0.8733000       1.717000      0.7712000      0.2529000       1.165000
  1 1 1      30   24    3 o    3.270000      0.6775000       3.400000 1.004000       3.141000      0.9105000      0.2594000       1.355000
  1 1 1      30   24    4 o    5.242000      0.4678000       5.084000 0.7103000       5.399000      0.6089000     -0.3157000      0.9355000
  1 1 1      30   24    5 o    4.522000      0.5517000       5.061000 0.7329000       3.982000      0.8247000       1.079000       1.103000
  1 1 1      30   24    6 o    2.298000      0.6392000       2.038000 0.8853000       2.559000      0.9222000     -0.5215000       1.278000
  1 1 1      30   24    7 o    1.767000      0.5575000       1.676000 0.7758000       1.857000      0.8009000     -0.1809000       1.115000
  1 1 1      30   24    8 o    6.526000      0.3838000       6.028000 0.6151000       7.023000      0.4592000     -0.9953000      0.7676000
  1 1 1      30   24    9 o    4.931000      0.4735000       4.084000 0.8028000       5.779000      0.5024000      -1.695000      0.9470000
  1 1 1      30   24   10 o    3.152000      0.6286000       3.346000 0.9177000       2.958000      0.8592000      0.3885000       1.257000
  1 1 1      30   24   11 o    2.430000      0.6212000       2.145000 0.8881000       2.715000      0.8688000     -0.5698000       1.242000
  1 1 1      30   24   12 o    5.779000      0.3911000       5.025000 0.6387000       6.533000      0.4514000      -1.508000      0.7822000
  1 1 1      30   24   13 o    3.404000      0.6020000       3.444000 0.8964000       3.364000      0.8038000      0.8026000E-01   1.204000
  1 1 1      30   24   14 o    4.623000      0.6419000       5.730000 0.5884000       3.516000       1.141000       2.214000       1.284000
  1 1 1      30   24   15 o    5.766000      0.3818000       5.537000 0.5762000       5.995000      0.5010000     -0.4585000      0.7635000
  1 1 1      30   24   16 o    1.883000      0.5640000       1.788000 0.7915000       1.979000      0.8037000     -0.1908000       1.128000
  1 1 1      30   24   17 o    1.811000      0.5520000       1.821000 0.7939000       1.800000      0.7670000      0.2108000E-01   1.104000
  1 1 1      30   24   18 o    3.415000      0.6007000       3.835000 0.8428000       2.995000      0.8561000      0.8396000       1.201000
  1 1 1      30   24   19 o    2.386000      0.5982000       3.001000 0.9042000       1.772000      0.7834000       1.230000       1.196000
  1 1 1      30   25    0 o    4.041000      0.6491000       3.688000 1.018000       4.394000      0.8056000     -0.7056000       1.298000
  1 1 1      30   25    1 o    5.616000      0.7178000       5.513000 0.9847000       5.719000       1.045000     -0.2060000       1.436000
  1 1 1      30   25    2 o    6.521000      0.6976000       7.253000 0.7440000       5.789000       1.180000       1.464000       1.395000
  1 1 1      30   25    3 o    5.319000      0.4930000       5.622000 0.6858000       5.016000      0.7084000      0.6058000      0.9860000
  1 1 1      30   25    4 o    3.453000      0.6197000       4.546000 0.8456000       2.359000      0.9061000       2.187000       1.239000
  1 1 1      30   25    5 o    4.531000      0.5274000       3.786000 0.8721000       5.276000      0.5934000      -1.491000       1.055000
  1 1 1      30   25    6 o    4.833000      0.5249000       4.272000 0.8764000       5.395000      0.5777000      -1.123000       1.050000
  1 1 1      30   25    7 o    5.765000      0.4557000       5.041000 0.7583000       6.490000      0.5058000      -1.449000      0.9114000
  1 1 1      30   25    8 f    10.14000      0.3021000       9.949000 0.4506000       10.32000      0.4025000     -0.3738000      0.6042000
  1 1 1      30   25    9 o    4.068000      0.5710000       3.292000 0.9612000       4.844000      0.6169000      -1.552000       1.142000
  1 1 1      30   25   10 o    4.046000      0.5500000       3.901000 0.8619000       4.190000      0.6836000     -0.2891000       1.100000
  1 1 1      30   25   11 o    4.537000      0.4905000       5.223000 0.6506000       3.850000      0.7342000       1.374000      0.9810000
  1 1 1      30   25   12 o    4.800000      0.5087000       3.802000 0.8779000       5.797000      0.5140000      -1.995000       1.017000
  1 1 1      30   25   13 o    2.606000      0.6030000       2.011000 0.8587000       3.201000      0.8467000      -1.190000       1.206000
  1 1 1      30   25   14 f    5.004000      0.4645000       4.550000 0.7384000       5.459000      0.5638000     -0.9082000      0.9291000
  1 1 1      30   25   15 o    4.992000      0.4250000       5.322000 0.6007000       4.663000      0.6014000      0.6583000      0.8500000
  1 1 1      30   25   16 o    2.973000      0.6011000       2.838000 0.8958000       3.107000      0.8019000     -0.2691000       1.202000
  1 1 1      30   25   17 o    5.082000      0.4353000       5.207000 0.6271000       4.957000      0.6040000      0.2499000      0.8707000
  1 1 1      30   25   18 o    3.724000      0.6848000       4.201000 0.7751000       3.246000       1.129000      0.9556000       1.370000
  1 1 1      30   26    0 o    5.324000      0.5355000       6.160000 0.6621000       4.487000      0.8418000       1.673000       1.071000
  1 1 1      30   26    1 o    3.006000      0.6831000       3.690000 0.9898000       2.322000      0.9417000       1.368000       1.366000
  1 1 1      30   26    2 o    4.419000      0.5782000       2.900000 0.9836000       5.938000      0.6081000      -3.037000       1.156000
  1 1 1      30   26    3 o    5.941000      0.7443000       4.086000 1.128000       7.795000      0.9709000      -3.709000       1.489000
  1 1 1      30   26    4 o    2.913000      0.7860000       2.676000 0.9352000       3.151000       1.264000     -0.4757000       1.572000
  1 1 1      30   26    5 o    3.586000      0.6381000       3.358000 1.010000       3.814000      0.7800000     -0.4555000       1.276000
  1 1 1      30   26    6 o    4.926000      0.4886000       4.662000 0.7419000       5.190000      0.6361000     -0.5277000      0.9773000
  1 1 1      30   26    7 o    5.778000      0.6406000       5.269000 0.7497000       6.288000       1.039000      -1.019000       1.281000
  1 1 1      30   26    8 o    4.876000      0.4853000       4.723000 0.7510000       5.029000      0.6150000     -0.3055000      0.9707000
  1 1 1      30   26    9 o    5.154000      0.4622000       5.325000 0.7035000       4.982000      0.5997000      0.3427000      0.9244000
  1 1 1      30   26   10 o    7.452000      0.3445000       7.224000 0.5199000       7.681000      0.4521000     -0.4572000      0.6890000
  1 1 1      30   26   11 o    2.815000      0.5913000       1.916000 0.8520000       3.714000      0.8201000      -1.798000       1.183000
  1 1 1      30   26   12 o    4.478000      0.5193000       4.521000 0.7680000       4.435000      0.6993000      0.8596000E-01   1.039000
  1 1 1      30   26   13 o    4.462000      0.5168000       4.527000 0.7566000       4.397000      0.7041000      0.1302000       1.034000
  1 1 1      30   26   14 o    5.400000      0.4266000       5.081000 0.6677000       5.719000      0.5311000     -0.6379000      0.8532000
  1 1 1      30   26   15 o    2.161000      0.6035000       2.373000 0.8980000       1.948000      0.8065000      0.4249000       1.207000
  1 1 1      30   26   16 o    4.234000      0.5379000       3.499000 0.8972000       4.969000      0.5937000      -1.470000       1.076000
  1 1 1      30   26   17 o    3.694000      0.6006000       3.550000 0.9002000       3.839000      0.7955000     -0.2896000       1.201000
  1 1 1      30   27    0 o    3.496000      0.8126000       3.765000 1.268000       3.228000       1.017000      0.5367000       1.625000
  1 1 1      30   27    1 o    3.958000      0.7954000       4.586000 1.252000       3.330000      0.9807000       1.256000       1.591000
  1 1 1      30   27    2 o    5.492000      0.5004000       4.982000 0.8327000       6.002000      0.5551000      -1.020000       1.001000
  1 1 1      30   27    3 o    5.660000      0.4569000       5.256000 0.7335000       6.064000      0.5451000     -0.8078000      0.9139000
  1 1 1      30   27    4 f    3.054000      0.6926000       2.778000 1.130000       3.331000      0.8008000     -0.5537000       1.385000
  1 1 1      30   27    5 o    4.798000      0.8158000       5.184000 1.036000       4.411000       1.260000      0.7733000       1.632000
  1 1 1      30   27    6 o    5.799000      0.5917000       5.304000 0.6816000       6.295000      0.9674000     -0.9913000       1.183000
  1 1 1      30   27    7 o    5.519000      0.4509000       5.469000 0.6888000       5.569000      0.5821000     -0.9951000E-01  0.9018000
  1 1 1      30   27    8 o    3.755000      0.6257000       3.236000 1.034000       4.275000      0.7042000      -1.040000       1.251000
  1 1 1      30   27    9 o    4.803000      0.5034000       5.425000 0.6506000       4.181000      0.7683000       1.244000       1.007000
  1 1 1      30   27   10 o    6.394000      0.4047000       5.688000 0.6426000       7.100000      0.4920000      -1.413000      0.8094000
  1 1 1      30   27   11 o    2.953000      0.5905000       2.040000 0.8880000       3.865000      0.7785000      -1.825000       1.181000
  1 1 1      30   27   12 f    2.211000      0.6273000       2.116000 0.8995000       2.305000      0.8746000     -0.1893000       1.255000
  1 1 1      30   27   13 o    2.877000      0.6499000       2.660000 0.9746000       3.093000      0.8601000     -0.4330000       1.300000
  1 1 1      30   27   14 o    2.734000      0.5980000       3.687000 0.9034000       1.780000      0.7839000       1.906000       1.196000
  1 1 1      30   27   15 o    3.220000      0.6497000       3.221000 0.9595000       3.219000      0.8763000      0.2668000E-02   1.299000
  1 1 1      30   27   16 o    2.661000      0.6585000       2.800000 0.9539000       2.521000      0.9082000      0.2784000       1.317000
  1 1 1      30   28    0 o    2.734000      0.7002000       3.303000 1.058000       2.165000      0.9174000       1.137000       1.400000
  1 1 1      30   28    1 o    3.626000      0.6655000       3.376000 1.008000       3.876000      0.8691000     -0.4999000       1.331000
  1 1 1      30   28    2 o    2.736000      0.7577000       2.656000 1.113000       2.817000       1.029000     -0.1609000       1.515000
  1 1 1      30   28    3 o    2.889000      0.7949000       3.327000 1.247000       2.452000      0.9868000      0.8742000       1.590000
  1 1 1      30   28    4 o    3.185000      0.6513000       2.538000 0.9984000       3.832000      0.8366000      -1.294000       1.303000
  1 1 1      30   28    5 o    4.429000      0.5537000       4.794000 0.8256000       4.064000      0.7382000      0.7291000       1.107000
  1 1 1      30   28    6 o    3.941000      0.7021000       4.158000 1.140000       3.724000      0.8203000      0.4343000       1.404000
  1 1 1      30   28    7 o    2.759000      0.7830000       3.081000 1.129000       2.436000       1.086000      0.6450000       1.566000
  1 1 1      30   28    8 o    2.775000      0.7857000       3.121000 1.149000       2.429000       1.072000      0.6916000       1.571000
  1 1 1      30   28    9 o    3.224000      0.6960000       3.241000 1.015000       3.206000      0.9527000      0.3477000E-01   1.392000
  1 1 1      30   28   10 o    6.696000      0.3922000       6.330000 0.6026000       7.062000      0.5022000     -0.7315000      0.7844000
  1 1 1      30   28   11 o    2.639000      0.6290000       2.089000 0.9126000       3.188000      0.8660000      -1.099000       1.258000
  1 1 1      30   28   12 o    1.938000      0.5784000       1.619000 0.7636000       2.258000      0.8691000     -0.6384000       1.157000
  1 1 1      30   28   13 o    2.116000      0.5991000       1.795000 0.8188000       2.438000      0.8748000     -0.6429000       1.198000
  1 1 1      30   28   14 o    3.253000      0.6489000       2.789000 0.9775000       3.717000      0.8538000     -0.9282000       1.298000
  1 1 1      30   28   15 o    2.968000      0.6303000       2.289000 0.9236000       3.647000      0.8580000      -1.358000       1.261000
  1 1 1      30   29    0 o    3.188000      0.6949000       4.019000 1.027000       2.357000      0.9360000       1.663000       1.390000
  1 1 1      30   29    1 o    2.440000      0.6812000       2.221000 0.9603000       2.658000      0.9665000     -0.4375000       1.362000
  1 1 1      30   29    2 o    2.679000      0.7034000       3.019000 1.055000       2.339000      0.9306000      0.6802000       1.407000
  1 1 1      30   29    3 o    2.829000      0.6891000       2.623000 1.031000       3.036000      0.9152000     -0.4135000       1.378000
  1 1 1      30   29    4 o    2.481000      0.7519000       3.024000 1.235000       1.937000      0.8584000       1.087000       1.504000
  1 1 1      30   29    5 o    3.257000      0.7865000       2.975000 1.195000       3.539000       1.023000     -0.5643000       1.573000
  1 1 1      30   29    6 o    1.942000      0.6061000       1.845000 0.8451000       2.039000      0.8692000     -0.1940000       1.212000
  1 1 1      30   29    7 o    3.227000      0.6851000       3.216000 1.010000       3.239000      0.9259000     -0.2302000E-01   1.370000
  1 1 1      30   29    8 o    5.157000      0.5286000       4.422000 0.8772000       5.891000      0.5903000      -1.470000       1.057000
  1 1 1      30   29    9 o    3.811000      0.8393000       4.303000 1.204000       3.320000       1.169000      0.9836000       1.679000
  1 1 1      30   29   10 o    2.594000      0.7765000       2.292000 1.024000       2.896000       1.168000     -0.6039000       1.553000
  1 1 1      30   29   11 o    3.328000      0.7230000       3.682000 0.8954000       2.973000       1.135000      0.7085000       1.446000
  1 1 1      30   29   12 o    1.839000      0.5756000       2.273000 0.9283000       1.406000      0.6809000      0.8673000       1.151000
  1 1 1      30   29   13 f    2.257000      0.6440000       2.518000 0.9683000       1.996000      0.8492000      0.5213000       1.288000
  1 1 1      30   30    0 o    3.861000      0.6727000       4.471000 0.9667000       3.251000      0.9357000       1.220000       1.345000
  1 1 1      30   30    1 o    2.342000      0.6538000       2.956000 1.044000       1.728000      0.7879000       1.228000       1.308000
  1 1 1      30   30    2 o    3.000000      0.6761000       2.521000 1.036000       3.479000      0.8691000     -0.9580000       1.352000
  1 1 1      30   30    3 o    2.835000      0.6252000       3.847000 0.9534000       1.824000      0.8090000       2.024000       1.250000
  1 1 1      30   30    4 o    2.791000      0.6855000       2.654000 1.022000       2.929000      0.9138000     -0.2747000       1.371000
  1 1 1      30   30    5 o    2.620000      0.6669000       3.258000 1.010000       1.983000      0.8715000       1.275000       1.334000
  1 1 1      30   30    6 o    2.817000      0.7058000       1.922000 0.9294000       3.712000       1.062000      -1.790000       1.412000
  1 1 1      30   30    7 o    4.458000      0.7880000       3.962000 1.319000       4.953000      0.8626000     -0.9912000       1.576000
  1 1 1      30   30    8 o    4.293000      0.7071000       4.953000 1.137000       3.633000      0.8402000       1.320000       1.414000
  1 1 1      30   30    9 o    2.322000      0.6335000       1.861000 0.8544000       2.783000      0.9356000     -0.9220000       1.267000
  1 1 1      30   30   10 o    2.472000      0.6632000       2.193000 0.9262000       2.750000      0.9493000     -0.5569000       1.326000
  1 1 1      30   30   11 o    1.973000      0.5960000       1.584000 0.7608000       2.362000      0.9176000     -0.7783000       1.192000
  1 1 1      30   30   12 o    3.718000      0.8824000       3.597000 1.249000       3.839000       1.247000     -0.2425000       1.765000
  1 1 1      30   31    0 o    1.710000      0.5601000       1.498000 0.7357000       1.922000      0.8448000     -0.4238000       1.120000
  1 1 1      30   31    1 o    2.454000      0.6592000       3.222000 1.064000       1.686000      0.7783000       1.536000       1.318000
  1 1 1      30   31    2 o    2.239000      0.6565000       2.329000 0.9874000       2.149000      0.8655000      0.1803000       1.313000
  1 1 1      30   31    3 o    3.274000      0.6903000       3.966000 1.020000       2.583000      0.9308000       1.383000       1.381000
  1 1 1      30   31    4 o    2.527000      0.6561000       1.973000 0.8911000       3.080000      0.9632000      -1.107000       1.312000
  1 1 1      30   31    5 o    4.428000      0.6168000       3.539000 1.030000       5.318000      0.6794000      -1.779000       1.234000
  1 1 1      30   31    6 f    2.776000      0.6811000       3.407000 1.016000       2.144000      0.9079000       1.263000       1.362000
  1 1 1      30   31    7 o    2.206000      0.6405000       1.766000 0.8308000       2.646000      0.9749000     -0.8805000       1.281000
  1 1 1      30   31    8 o    2.989000      0.6653000       3.849000 0.9847000       2.130000      0.8950000       1.719000       1.331000
  1 1 1      30   31    9 o    3.828000      0.7493000       2.879000 1.174000       4.778000      0.9312000      -1.899000       1.499000
  1 1 1      30   31   10 o    1.993000      0.9643000       1.993000 0.9643000                  ?              ?              ?              ?
  1 1 1      30   32    0 o    3.261000      0.7108000       2.895000 1.057000       3.627000      0.9510000     -0.7320000       1.422000
  1 1 1      30   32    1 o    3.383000      0.6969000       3.099000 1.071000       3.667000      0.8922000     -0.5676000       1.394000
  1 1 1      30   32    2 o    2.064000      0.6330000       1.751000 0.8419000       2.376000      0.9455000     -0.6253000       1.266000
  1 1 1      30   32    3 o    2.151000      0.6524000       2.189000 0.9564000       2.113000      0.8877000      0.7554000E-01   1.305000
  1 1 1      30   32    4 o    2.181000      0.6656000       2.485000 1.022000       1.878000      0.8530000      0.6079000       1.331000
  1 1 1      30   32    5 o    2.926000      0.6697000       2.250000 0.9572000       3.602000      0.9367000      -1.352000       1.339000
  1 1 1      30   32    6 o    3.587000      0.5962000       2.203000 0.9453000       4.971000      0.7266000      -2.768000       1.192000
  1 1 1      30   32    7 o    3.317000      0.7711000       3.840000 1.007000       2.794000       1.168000       1.046000       1.542000
  1 1 1      30   33    0 o    1.949000      0.9304000                  ?       ?   1.949000      0.9304000                  ?              ?
  1 1 1      30   33    1 o    3.273000       1.288000                  ?       ?   3.273000       1.288000                  ?              ?
  1 1 1      31   -5    0 o    2.265000      0.9805000       2.265000 0.9805000                  ?              ?              ?              ?
  1 1 1      31   -4    0 o    4.482000      0.6733000       4.539000 0.9746000       4.425000      0.9293000      0.1143000       1.347000
  1 1 1      31   -4    1 o    3.347000      0.5678000       3.252000 0.8653000       3.442000      0.7356000     -0.1904000       1.136000
  1 1 1      31   -4    2 f    1.941000      0.5718000       1.873000 0.8034000       2.009000      0.8140000     -0.1357000       1.144000
  1 1 1      31   -4    3 o    5.092000      0.6221000       3.830000 1.052000       6.355000      0.6645000      -2.525000       1.244000
  1 1 1      31   -4    4 o    3.251000      0.5722000       2.765000 0.8781000       3.738000      0.7340000     -0.9728000       1.144000
  1 1 1      31   -4    5 o    2.151000      0.5914000       2.334000 0.8705000       1.968000      0.8007000      0.3658000       1.183000
  1 1 1      31   -4    6 o    6.397000      0.3439000       5.848000 0.5349000       6.947000      0.4324000      -1.099000      0.6878000
  1 1 1      31   -4    7 o    4.856000      0.7985000       4.856000 0.7985000                  ?              ?              ?              ?
  1 1 1      31   -3    0 o    2.311000      0.5693000       1.709000 0.7756000       2.912000      0.8335000      -1.203000       1.139000
  1 1 1      31   -3    1 o    4.132000      0.5143000       3.777000 0.8330000       4.488000      0.6034000     -0.7111000       1.029000
  1 1 1      31   -3    2 o    3.821000      0.7079000       3.535000 1.075000       4.107000      0.9216000     -0.5722000       1.416000
  1 1 1      31   -3    3 o    9.336000      0.2862000       9.081000 0.4170000       9.591000      0.3921000     -0.5098000      0.5724000
  1 1 1      31   -3    4 o    2.731000      0.5290000       1.790000 0.7937000       3.673000      0.6997000      -1.882000       1.058000
  1 1 1      31   -3    5 o    2.299000      0.5837000       2.474000 0.8645000       2.124000      0.7845000      0.3505000       1.167000
  1 1 1      31   -3    6 o    4.375000      0.4884000       3.083000 0.8449000       5.667000      0.4901000      -2.584000      0.9768000
  1 1 1      31   -3    7 o    3.289000      0.5402000       3.143000 0.8107000       3.435000      0.7142000     -0.2920000       1.080000
  1 1 1      31   -3    8 o    5.485000      0.3605000       5.702000 0.5055000       5.269000      0.5140000      0.4326000      0.7209000
  1 1 1      31   -3    9 o    3.020000      0.5433000       2.311000 0.8399000       3.729000      0.6894000      -1.419000       1.087000
  1 1 1      31   -2    0 o    4.565000      0.4951000       4.757000 0.7401000       4.373000      0.6577000      0.3837000      0.9902000
  1 1 1      31   -2    1 o    6.599000      0.5023000       6.275000 0.8239000       6.924000      0.5750000     -0.6491000       1.005000
  1 1 1      31   -2    2 o    6.185000      0.3592000       6.174000 0.5342000       6.195000      0.4805000     -0.2099000E-01  0.7185000
  1 1 1      31   -2    3 o    5.785000      0.3725000       5.779000 0.5509000       5.791000      0.5016000     -0.1187000E-01  0.7451000
  1 1 1      31   -2    4 o    4.541000      0.4379000       4.185000 0.7008000       4.898000      0.5253000     -0.7135000      0.8758000
  1 1 1      31   -2    5 f    5.817000      0.3972000       4.680000 0.6659000       6.953000      0.4332000      -2.273000      0.7944000
  1 1 1      31   -2    6 o    4.144000      0.4747000       4.042000 0.7498000       4.247000      0.5824000     -0.2049000      0.9494000
  1 1 1      31   -2    7 o    2.596000      0.5788000       3.127000 0.8604000       2.065000      0.7745000       1.062000       1.158000
  1 1 1      31   -2    8 o    1.972000      0.5579000       2.225000 0.8428000       1.719000      0.7312000      0.5064000       1.116000
  1 1 1      31   -2    9 o    2.050000      0.5585000       2.106000 0.8158000       1.994000      0.7630000      0.1121000       1.117000
  1 1 1      31   -2   10 o    2.528000      0.5684000       2.776000 0.8149000       2.280000      0.7927000      0.4963000       1.137000
  1 1 1      31   -2   11 o    2.017000      0.5584000       1.869000 0.7771000       2.166000      0.8022000     -0.2965000       1.117000
  1 1 1      31   -1    0 o    3.907000      0.7157000       4.402000 1.096000       3.413000      0.9203000      0.9884000       1.431000
  1 1 1      31   -1    1 o    4.510000      0.4907000       4.162000 0.8063000       4.859000      0.5593000     -0.6967000      0.9813000
  1 1 1      31   -1    2 o    3.966000      0.5351000       3.770000 0.8375000       4.162000      0.6662000     -0.3919000       1.070000
  1 1 1      31   -1    3 o    6.044000      0.3700000       5.995000 0.5789000       6.092000      0.4609000     -0.9656000E-01  0.7399000
  1 1 1      31   -1    4 o    6.189000      0.3619000       5.762000 0.5725000       6.615000      0.4428000     -0.8529000      0.7237000
  1 1 1      31   -1    5 o    6.666000      0.3350000       6.617000 0.5313000       6.716000      0.4081000     -0.9868000E-01  0.6699000
  1 1 1      31   -1    6 o    2.163000      0.5450000       1.574000 0.7336000       2.752000      0.8062000      -1.178000       1.090000
  1 1 1      31   -1    7 o    5.769000      0.3602000       5.413000 0.5548000       6.126000      0.4595000     -0.7131000      0.7204000
  1 1 1      31   -1    8 o    4.548000      0.4339000       4.973000 0.5806000       4.122000      0.6450000      0.8501000      0.8678000
  1 1 1      31   -1    9 o    3.679000      0.5118000       2.809000 0.8613000       4.549000      0.5531000      -1.740000       1.024000
  1 1 1      31   -1   10 o    3.659000      0.5040000       3.342000 0.8149000       3.976000      0.5933000     -0.6347000       1.008000
  1 1 1      31   -1   11 o    2.791000      0.5301000       2.127000 0.8169000       3.456000      0.6760000      -1.329000       1.060000
  1 1 1      31   -1   12 o    2.655000      0.5564000       2.984000 0.7905000       2.326000      0.7831000      0.6581000       1.113000
  1 1 1      31   -1   13 f    3.359000      0.6513000       3.511000 0.9238000       3.207000      0.9183000      0.3033000       1.303000
  1 1 1      31    0    0 o    2.413000      0.6199000       2.186000 0.8992000       2.639000      0.8535000     -0.4528000       1.240000
  1 1 1      31    0    1 o    2.395000      0.6139000       2.261000 0.9079000       2.530000      0.8266000     -0.2696000       1.228000
  1 1 1      31    0    2 o    5.223000      0.4397000       4.639000 0.7469000       5.808000      0.4640000      -1.170000      0.8793000
  1 1 1      31    0    3 o    6.346000      0.3538000       6.589000 0.5304000       6.103000      0.4683000      0.4863000      0.7076000
  1 1 1      31    0    4 o    6.428000      0.3344000       6.648000 0.5118000       6.207000      0.4304000      0.4417000      0.6688000
  1 1 1      31    0    5 o    5.082000      0.4175000       4.679000 0.6770000       5.485000      0.4887000     -0.8060000      0.8349000
  1 1 1      31    0    6 o    1.931000      0.5536000       1.668000 0.7617000       2.193000      0.8034000     -0.5248000       1.107000
  1 1 1      31    0    7 f    2.480000      0.5782000       2.081000 0.8454000       2.878000      0.7892000     -0.7970000       1.156000
  1 1 1      31    0    8 o    6.000000      0.3455000       5.527000 0.5437000       6.472000      0.4266000     -0.9452000      0.6911000
  1 1 1      31    0    9 o    11.08000      0.3212000       11.21000 0.5405000       10.94000      0.3470000      0.2629000      0.6423000
  1 1 1      31    0   10 o    6.024000      0.3243000       5.729000 0.4871000       6.320000      0.4284000     -0.5909000      0.6487000
  1 1 1      31    0   11 o    4.971000      0.3672000       5.084000 0.5407000       4.857000      0.4970000      0.2262000      0.7344000
  1 1 1      31    0   12 o    1.979000      0.6100000       2.243000 0.9334000       1.715000      0.7856000      0.5286000       1.220000
  1 1 1      31    0   13 o    4.262000      0.5852000       4.015000 0.8968000       4.510000      0.7521000     -0.4952000       1.170000
  1 1 1      31    0   14 o    2.146000      0.5326000       1.734000 0.7363000       2.557000      0.7698000     -0.8230000       1.065000
  1 1 1      31    1    0 o    7.536000      0.3074000       7.469000 0.4358000       7.603000      0.4338000     -0.1339000      0.6149000
  1 1 1      31    1    1 o    9.998000      0.3580000       10.44000 0.5994000       9.559000      0.3915000      0.8782000      0.7160000
  1 1 1      31    1    2 o    9.636000      0.2999000       9.518000 0.4619000       9.754000      0.3826000     -0.2362000      0.5998000
  1 1 1      31    1    3 o    3.824000      0.5682000       3.724000 0.9149000       3.923000      0.6741000     -0.1993000       1.136000
  1 1 1      31    1    4 o    9.411000      0.2922000       9.094000 0.4540000       9.728000      0.3678000     -0.6334000      0.5843000
  1 1 1      31    1    5 o    2.702000      0.6248000       3.138000 0.9232000       2.265000      0.8421000      0.8725000       1.250000
  1 1 1      31    1    6 o    2.186000      0.5803000       1.902000 0.8162000       2.470000      0.8251000     -0.5679000       1.161000
  1 1 1      31    1    7 o    4.202000      0.4747000       4.299000 0.7087000       4.104000      0.6316000      0.1948000      0.9493000
  1 1 1      31    1    8 o    7.529000      0.2951000       7.339000 0.4459000       7.719000      0.3867000     -0.3806000      0.5902000
  1 1 1      31    1    9 o    6.785000      0.3189000       6.814000 0.4888000       6.756000      0.4097000      0.5830000E-01  0.6378000
  1 1 1      31    1   10 o    1.622000      0.5093000       1.871000 0.7896000       1.372000      0.6435000      0.4993000       1.019000
  1 1 1      31    1   11 o    3.135000      0.7115000       3.461000 1.047000       2.810000      0.9641000      0.6517000       1.423000
  1 1 1      31    1   12 o    5.424000      0.5241000       5.662000 0.7538000       5.186000      0.7285000      0.4758000       1.048000
  1 1 1      31    1   13 o    3.928000      0.4633000       3.533000 0.7595000       4.324000      0.5309000     -0.7909000      0.9267000
  1 1 1      31    1   14 o    2.917000      0.6440000       2.724000 0.9329000       3.109000      0.8880000     -0.3850000       1.288000
  1 1 1      31    1   15 o    3.789000      0.5563000       2.606000 0.9271000       4.972000      0.6152000      -2.366000       1.113000
  1 1 1      31    2    0 o    11.94000      0.2805000       11.94000 0.3889000       11.94000      0.4043000     -0.2467000E-02  0.5610000
  1 1 1      31    2    1 o    9.486000      0.2866000       10.06000 0.3916000       8.916000      0.4187000       1.139000      0.5732000
  1 1 1      31    2    2 o    6.488000      0.3438000       6.269000 0.4952000       6.707000      0.4770000     -0.4381000      0.6875000
  1 1 1      31    2    3 o    2.365000      0.5946000       2.072000 0.8221000       2.659000      0.8592000     -0.5873000       1.189000
  1 1 1      31    2    4 o    6.888000      0.3067000       6.712000 0.4458000       7.064000      0.4214000     -0.3520000      0.6134000
  1 1 1      31    2    5 o    4.634000      0.5807000       5.052000 0.9479000       4.215000      0.6710000      0.8366000       1.161000
  1 1 1      31    2    6 o    7.814000      0.3045000       8.029000 0.4616000       7.600000      0.3973000      0.4288000      0.6090000
  1 1 1      31    2    7 o    3.467000      0.5790000       3.905000 0.8193000       3.030000      0.8184000      0.8753000       1.158000
  1 1 1      31    2    8 o    3.775000      0.5204000       4.033000 0.7984000       3.516000      0.6676000      0.5164000       1.041000
  1 1 1      31    2    9 o    1.848000      0.5507000       2.111000 0.8558000       1.585000      0.6933000      0.5260000       1.101000
  1 1 1      31    2   10 o    5.160000      0.4060000       4.164000 0.6913000       6.156000      0.4260000      -1.992000      0.8120000
  1 1 1      31    2   11 o    6.190000      0.4764000       5.693000 0.7546000       6.687000      0.5818000     -0.9943000      0.9529000
  1 1 1      31    2   12 o    4.567000      0.4029000       4.222000 0.6434000       4.911000      0.4850000     -0.6892000      0.8058000
  1 1 1      31    2   13 o    5.173000      0.3961000       5.291000 0.6632000       5.056000      0.4333000      0.2344000      0.7922000
  1 1 1      31    2   14 o    6.770000      0.3835000       6.786000 0.5759000       6.755000      0.5066000      0.3140000E-01  0.7671000
  1 1 1      31    2   15 o    4.591000      0.3600000       4.492000 0.5475000       4.689000      0.4675000     -0.1964000      0.7199000
  1 1 1      31    2   16 o    2.349000      0.7846000       2.349000 0.7846000                  ?              ?              ?              ?
  1 1 1      31    3    0 o    8.606000      0.2996000       8.594000 0.4203000       8.618000      0.4272000     -0.2418000E-01  0.5993000
  1 1 1      31    3    1 o    6.409000      0.3525000       5.958000 0.5213000       6.859000      0.4747000     -0.9011000      0.7051000
  1 1 1      31    3    2 o    1.634000      0.5184000       1.429000 0.6736000       1.840000      0.7883000     -0.4117000       1.037000
  1 1 1      31    3    3 o    2.683000      0.5758000       2.097000 0.8161000       3.269000      0.8124000      -1.172000       1.152000
  1 1 1      31    3    4 f    6.056000      0.3538000       6.185000 0.4756000       5.927000      0.5240000      0.2579000      0.7077000
  1 1 1      31    3    5 o    11.76000      0.2646000       12.05000 0.3704000       11.47000      0.3781000      0.5763000      0.5292000
  1 1 1      31    3    6 o    10.12000      0.2644000       10.19000 0.3710000       10.05000      0.3767000      0.1385000      0.5288000
  1 1 1      31    3    7 o    3.225000      0.5450000       3.326000 0.7187000       3.123000      0.8195000      0.2027000       1.090000
  1 1 1      31    3    8 o    9.465000      0.2569000       9.494000 0.3590000       9.436000      0.3674000      0.5798000E-01  0.5137000
  1 1 1      31    3    9 o    7.090000      0.3908000       7.118000 0.6689000       7.062000      0.4042000      0.5541000E-01  0.7816000
  1 1 1      31    3   10 o    5.780000      0.5028000       5.617000 0.7992000       5.944000      0.6105000     -0.3272000       1.006000
  1 1 1      31    3   11 o    4.374000      0.4373000       4.082000 0.7128000       4.665000      0.5067000     -0.5827000      0.8745000
  1 1 1      31    3   12 o    4.862000      0.3703000       4.990000 0.5618000       4.735000      0.4827000      0.2546000      0.7407000
  1 1 1      31    3   13 o    4.629000      0.5424000       3.535000 0.9268000       5.724000      0.5639000      -2.189000       1.085000
  1 1 1      31    3   14 o    3.659000      0.4745000       3.123000 0.7855000       4.196000      0.5325000      -1.073000      0.9490000
  1 1 1      31    3   15 f    4.885000      0.3483000       4.349000 0.5675000       5.420000      0.4039000      -1.071000      0.6965000
  1 1 1      31    3   16 o    5.166000      0.4406000       5.166000 0.4406000                  ?              ?              ?              ?
  1 1 1      31    3   17 o    1.812000      0.5180000       1.757000 0.7246000       1.867000      0.7404000     -0.1107000       1.036000
  1 1 1      31    4    0 o    2.014000      0.5784000       1.693000 0.7575000       2.335000      0.8743000     -0.6417000       1.157000
  1 1 1      31    4    1 o    8.050000      0.3017000       8.383000 0.4143000       7.717000      0.4386000      0.6657000      0.6034000
  1 1 1      31    4    2 o    4.512000      0.4690000       4.789000 0.6005000       4.235000      0.7206000      0.5536000      0.9380000
  1 1 1      31    4    3 o    3.302000      0.5717000       3.485000 0.7543000       3.119000      0.8592000      0.3657000       1.143000
  1 1 1      31    4    4 o    5.895000      0.3508000       5.768000 0.4978000       6.022000      0.4944000     -0.2544000      0.7016000
  1 1 1      31    4    5 o    7.387000      0.3040000       7.366000 0.4136000       7.408000      0.4456000     -0.4215000E-01  0.6080000
  1 1 1      31    4    6 o    3.538000      0.5159000       3.950000 0.6463000       3.126000      0.8043000      0.8235000       1.032000
  1 1 1      31    4    7 o    5.634000      0.3470000       5.526000 0.4830000       5.742000      0.4984000     -0.2157000      0.6940000
  1 1 1      31    4    8 o    10.35000      0.2606000       10.24000 0.3707000       10.46000      0.3663000     -0.2150000      0.5212000
  1 1 1      31    4    9 o    9.158000      0.3931000       8.931000 0.5974000       9.384000      0.5112000     -0.4535000      0.7863000
  1 1 1      31    4   10 o    5.956000      0.5050000       5.951000 0.7349000       5.961000      0.6928000     -0.1006000E-01   1.010000
  1 1 1      31    4   11 o    1.950000      0.5321000       2.189000 0.7662000       1.712000      0.7385000      0.4773000       1.064000
  1 1 1      31    4   12 o    2.222000      0.8640000                  ?       ?   2.222000      0.8640000                  ?              ?
  1 1 1      31    4   13 o    5.132000      0.4871000       4.537000 0.8181000       5.727000      0.5287000      -1.190000      0.9741000
  1 1 1      31    4   14 o    2.494000      0.5420000       3.163000 0.7943000       1.826000      0.7377000       1.338000       1.084000
  1 1 1      31    4   15 o    5.601000      0.3037000       5.407000 0.4607000       5.796000      0.3957000     -0.3892000      0.6073000
  1 1 1      31    4   16 o    2.999000      0.5235000       3.308000 0.7062000       2.690000      0.7730000      0.6179000       1.047000
  1 1 1      31    4   17 o    4.588000      0.3708000       3.782000 0.6178000       5.393000      0.4103000      -1.611000      0.7416000
  1 1 1      31    4   18 o    4.227000      0.3719000       4.000000 0.5703000       4.453000      0.4773000     -0.4526000      0.7437000
  1 1 1      31    5    0 f    4.601000      0.4949000       5.385000 0.5764000       3.816000      0.8046000       1.569000      0.9898000
  1 1 1      31    5    1 f    5.056000      0.4244000       4.868000 0.6163000       5.244000      0.5837000     -0.3753000      0.8488000
  1 1 1      31    5    2 o    10.28000      0.2757000       10.47000 0.3881000       10.09000      0.3917000      0.3807000      0.5514000
  1 1 1      31    5    3 o    2.409000      0.6017000       2.310000 0.8408000       2.508000      0.8608000     -0.1979000       1.203000
  1 1 1      31    5    4 o    6.087000      0.3539000       5.271000 0.5440000       6.903000      0.4527000      -1.631000      0.7077000
  1 1 1      31    5    5 o    3.793000      0.5273000       4.357000 0.6150000       3.228000      0.8567000       1.128000       1.055000
  1 1 1      31    5    6 o    10.41000      0.2699000       10.79000 0.3757000       10.03000      0.3875000      0.7572000      0.5398000
  1 1 1      31    5    7 o    2.567000      0.5911000       2.350000 0.8300000       2.783000      0.8418000     -0.4332000       1.182000
  1 1 1      31    5    8 o    2.493000      0.5956000       2.341000 0.8453000       2.645000      0.8392000     -0.3046000       1.191000
  1 1 1      31    5    9 o    5.078000      0.5950000       4.730000 0.9219000       5.426000      0.7524000     -0.6961000       1.190000
  1 1 1      31    5   10 o    5.212000      0.3634000       5.677000 0.4560000       4.748000      0.5660000      0.9283000      0.7269000
  1 1 1      31    5   11 o    2.787000      0.4978000       1.774000 0.7360000       3.801000      0.6705000      -2.027000      0.9956000
  1 1 1      31    5   12 o    3.787000      0.5664000       3.135000 0.8419000       4.439000      0.7581000      -1.304000       1.133000
  1 1 1      31    5   13 o    2.669000      0.5368000       2.940000 0.7449000       2.398000      0.7731000      0.5417000       1.074000
  1 1 1      31    5   14 o    6.893000      0.2648000       6.931000 0.3721000       6.856000      0.3768000      0.7465000E-01  0.5296000
  1 1 1      31    5   15 o    4.561000      0.4930000       4.546000 0.8691000       4.577000      0.4656000     -0.3137000E-01  0.9860000
  1 1 1      31    5   16 o    2.396000      0.4666000       1.562000 0.6884000       3.230000      0.6300000      -1.667000      0.9331000
  1 1 1      31    5   17 o    1.492000      0.4693000       1.610000 0.6961000       1.375000      0.6297000      0.2352000      0.9387000
  1 1 1      31    5   18 o    2.434000      0.4562000       1.522000 0.6692000       3.347000      0.6204000      -1.824000      0.9125000
  1 1 1      31    6    0 o    9.693000      0.2934000       9.744000 0.4118000       9.643000      0.4179000      0.1011000      0.5867000
  1 1 1      31    6    1 o    4.152000      0.5325000       4.292000 0.7357000       4.013000      0.7701000      0.2787000       1.065000
  1 1 1      31    6    2 o    8.815000      0.2969000       8.439000 0.4286000       9.190000      0.4109000     -0.7510000      0.5938000
  1 1 1      31    6    3 o    3.746000      0.5534000       4.350000 0.6649000       3.141000      0.8850000       1.209000       1.107000
  1 1 1      31    6    4 o    12.27000      0.2707000       12.25000 0.3834000       12.28000      0.3823000     -0.3229000E-01  0.5414000
  1 1 1      31    6    5 o    2.532000      0.6105000       2.334000 0.8419000       2.730000      0.8843000     -0.3954000       1.221000
  1 1 1      31    6    6 o    6.653000      0.3251000       6.590000 0.4599000       6.716000      0.4597000     -0.1265000      0.6503000
  1 1 1      31    6    7 o    3.868000      0.5085000       4.393000 0.5994000       3.343000      0.8217000       1.050000       1.017000
  1 1 1      31    6    8 o    7.314000      0.4598000       7.724000 0.6875000       6.904000      0.6106000      0.8203000      0.9195000
  1 1 1      31    6    9 o    8.224000      0.4336000       7.911000 0.6745000       8.537000      0.5450000     -0.6255000      0.8672000
  1 1 1      31    6   10 o    11.73000      0.2549000       11.80000 0.3618000       11.65000      0.3592000      0.1534000      0.5098000
  1 1 1      31    6   11 o    2.533000      0.6399000       1.991000 0.8235000       3.075000      0.9797000      -1.084000       1.280000
  1 1 1      31    6   12 o    4.322000      0.5564000       4.979000 0.5918000       3.665000      0.9423000       1.314000       1.113000
  1 1 1      31    6   13 o    7.521000      0.2632000       7.342000 0.3700000       7.701000      0.3745000     -0.3589000      0.5265000
  1 1 1      31    6   14 o    8.851000      0.2424000       9.085000 0.3323000       8.617000      0.3531000      0.4683000      0.4848000
  1 1 1      31    6   15 o    8.600000      0.2383000       8.728000 0.3282000       8.473000      0.3456000      0.2546000      0.4767000
  1 1 1      31    6   16 o    3.829000      0.3969000       3.804000 0.5491000       3.854000      0.5733000     -0.5000000E-01  0.7938000
  1 1 1      31    6   17 o    5.427000      0.4018000       5.427000 0.4018000                  ?              ?              ?              ?
  1 1 1      31    6   18 o    7.617000      0.3169000       7.280000 0.5381000       7.954000      0.3350000     -0.6741000      0.6339000
  1 1 1      31    6   19 o    3.306000      0.5726000                  ?       ?   3.306000      0.5726000                  ?              ?
  1 1 1      31    7    0 o    6.478000      0.3720000       6.614000 0.5194000       6.342000      0.5326000      0.2711000      0.7440000
  1 1 1      31    7    1 o    5.853000      0.3864000       6.069000 0.5164000       5.637000      0.5748000      0.4318000      0.7727000
  1 1 1      31    7    2 o    3.575000      0.5859000       3.404000 0.8560000       3.747000      0.8002000     -0.3438000       1.172000
  1 1 1      31    7    3 o    5.781000      0.3826000       6.055000 0.5138000       5.508000      0.5671000      0.5473000      0.7652000
  1 1 1      31    7    4 o    9.066000      0.2866000       9.024000 0.4002000       9.108000      0.4104000     -0.8440000E-01  0.5732000
  1 1 1      31    7    5 o    3.490000      0.5735000       3.886000 0.7426000       3.094000      0.8741000      0.7915000       1.147000
  1 1 1      31    7    6 o    4.812000      0.4294000       4.923000 0.5997000       4.701000      0.6147000      0.2223000      0.8588000
  1 1 1      31    7    7 o    6.679000      0.3270000       6.652000 0.4504000       6.707000      0.4743000     -0.5421000E-01  0.6541000
  1 1 1      31    7    8 o    7.142000      0.4725000       6.819000 0.7057000       7.465000      0.6285000     -0.6457000      0.9450000
  1 1 1      31    7    9 f    5.047000      0.3930000       5.212000 0.5564000       4.882000      0.5553000      0.3306000      0.7861000
  1 1 1      31    7   10 o    4.699000      0.4102000       4.850000 0.5731000       4.548000      0.5869000      0.3016000      0.8203000
  1 1 1      31    7   11 o    4.333000      0.5622000       4.434000 0.7288000       4.232000      0.8561000      0.2022000       1.124000
  1 1 1      31    7   12 o    6.196000      0.3134000       5.930000 0.4534000       6.462000      0.4326000     -0.5323000      0.6267000
  1 1 1      31    7   13 o    8.263000      0.2626000       8.590000 0.3653000       7.937000      0.3773000      0.6528000      0.5252000
  1 1 1      31    7   14 o    7.897000      0.2609000       8.272000 0.3524000       7.523000      0.3849000      0.7486000      0.5218000
  1 1 1      31    7   15 o    7.884000      0.2523000       8.074000 0.3422000       7.693000      0.3708000      0.3811000      0.5046000
  1 1 1      31    7   16 o    1.658000      0.4943000       1.439000 0.6466000       1.876000      0.7479000     -0.4373000      0.9887000
  1 1 1      31    7   17 o    5.223000      0.4088000       5.223000 0.4088000                  ?              ?              ?              ?
  1 1 1      31    7   18 o    2.317000      0.5169000       2.145000 0.7245000       2.488000      0.7375000     -0.3430000       1.034000
  1 1 1      31    7   19 o    2.105000      0.7209000                  ?       ?   2.105000      0.7209000                  ?              ?
  1 1 1      31    8    0 o    4.329000      0.5417000       3.220000 0.8993000       5.438000      0.6041000      -2.218000       1.083000
  1 1 1      31    8    1 o    3.323000      0.6026000       3.939000 0.7822000       2.707000      0.9170000       1.232000       1.205000
  1 1 1      31    8    2 o    4.389000      0.5063000       4.478000 0.6853000       4.300000      0.7455000      0.1771000       1.013000
  1 1 1      31    8    3 o    4.357000      0.5064000       4.600000 0.6565000       4.113000      0.7714000      0.4870000       1.013000
  1 1 1      31    8    4 o    2.508000      0.5938000       1.929000 0.8147000       3.087000      0.8641000      -1.158000       1.188000
  1 1 1      31    8    5 o    6.514000      0.3527000       6.823000 0.4731000       6.205000      0.5233000      0.6187000      0.7054000
  1 1 1      31    8    6 o    6.324000      0.3571000       6.394000 0.5008000       6.253000      0.5090000      0.1410000      0.7141000
  1 1 1      31    8    7 o    3.485000      0.5821000       3.460000 0.8221000       3.510000      0.8242000     -0.4981000E-01   1.164000
  1 1 1      31    8    8 o    2.401000      0.7055000       2.330000 1.001000       2.472000      0.9945000     -0.1414000       1.411000
  1 1 1      31    8    9 o    3.285000      0.5741000       3.063000 0.8647000       3.508000      0.7554000     -0.4452000       1.148000
  1 1 1      31    8   10 o    11.33000      0.2658000       11.56000 0.3765000       11.10000      0.3753000      0.4592000      0.5316000
  1 1 1      31    8   11 o    1.909000      0.5992000       1.824000 0.8119000       1.995000      0.8815000     -0.1715000       1.198000
  1 1 1      31    8   12 o    4.337000      0.4277000       4.523000 0.5688000       4.151000      0.6389000      0.3724000      0.8554000
  1 1 1      31    8   13 o    3.108000      0.5362000       2.492000 0.8257000       3.724000      0.6842000      -1.232000       1.072000
  1 1 1      31    8   14 o    8.248000      0.2613000       7.959000 0.3727000       8.537000      0.3664000     -0.5778000      0.5227000
  1 1 1      31    8   15 o    2.680000      0.5480000       2.707000 0.7628000       2.653000      0.7870000      0.5358000E-01   1.096000
  1 1 1      31    8   16 f    3.953000      0.3998000       4.125000 0.5464000       3.781000      0.5838000      0.3441000      0.7996000
  1 1 1      31    8   17 o    5.137000      0.3111000       5.280000 0.4196000       4.993000      0.4595000      0.2875000      0.6222000
  1 1 1      31    8   18 o    6.242000      0.2605000       6.062000 0.3616000       6.421000      0.3751000     -0.3589000      0.5210000
  1 1 1      31    8   19 o    2.584000      0.4679000       2.277000 0.6624000       2.890000      0.6611000     -0.6131000      0.9359000
  1 1 1      31    8   20 o    3.711000      0.3638000       3.265000 0.5772000       4.157000      0.4429000     -0.8920000      0.7276000
  1 1 1      31    9    0 o    3.262000      0.6397000       3.089000 0.9177000       3.435000      0.8916000     -0.3453000       1.279000
  1 1 1      31    9    1 o    3.255000      0.6140000       3.839000 0.8248000       2.671000      0.9098000       1.168000       1.228000
  1 1 1      31    9    2 o    2.830000      0.6223000       3.464000 0.8787000       2.197000      0.8814000       1.268000       1.245000
  1 1 1      31    9    3 o    4.528000      0.4890000       3.913000 0.7721000       5.144000      0.6001000      -1.232000      0.9779000
  1 1 1      31    9    4 o    1.952000      0.5729000       1.494000 0.7065000       2.410000      0.9021000     -0.9159000       1.146000
  1 1 1      31    9    5 o    6.783000      0.3517000       6.815000 0.4856000       6.750000      0.5088000      0.6510000E-01  0.7033000
  1 1 1      31    9    6 o    5.962000      0.3944000       6.845000 0.4835000       5.079000      0.6232000       1.766000      0.7888000
  1 1 1      31    9    7 o    5.611000      0.4037000       5.706000 0.5458000       5.516000      0.5950000      0.1896000      0.8074000
  1 1 1      31    9    8 o    3.627000      0.7744000       3.968000 1.111000       3.286000       1.079000      0.6819000       1.549000
  1 1 1      31    9    9 o    2.308000      0.5814000       2.836000 0.8650000       1.781000      0.7769000       1.055000       1.163000
  1 1 1      31    9   10 o    4.798000      0.4709000       5.602000 0.6918000       3.993000      0.6391000       1.609000      0.9418000
  1 1 1      31    9   11 o    14.00000      0.3702000       14.12000 0.5090000       13.88000      0.5377000      0.2368000      0.7404000
  1 1 1      31    9   12 o    5.894000      0.3489000       5.916000 0.4768000       5.873000      0.5095000      0.4285000E-01  0.6979000
  1 1 1      31    9   13 o    2.680000      0.5753000       2.351000 0.8141000       3.008000      0.8131000     -0.6566000       1.151000
  1 1 1      31    9   14 o    8.918000      0.2608000       9.186000 0.3688000       8.651000      0.3689000      0.5354000      0.5216000
  1 1 1      31    9   15 o    5.794000      0.3075000       5.470000 0.4443000       6.118000      0.4253000     -0.6485000      0.6150000
  1 1 1      31    9   16 o    2.772000      0.5287000       2.565000 0.7613000       2.978000      0.7339000     -0.4134000       1.057000
  1 1 1      31    9   17 o    4.099000      0.3792000       4.014000 0.5554000       4.184000      0.5165000     -0.1707000      0.7585000
  1 1 1      31    9   18 o    3.941000      0.3857000       3.799000 0.5592000       4.084000      0.5314000     -0.2846000      0.7715000
  1 1 1      31    9   19 o    1.637000      0.4705000       1.932000 0.7121000       1.342000      0.6151000      0.5902000      0.9410000
  1 1 1      31    9   20 o    4.870000      0.2783000       4.507000 0.4125000       5.233000      0.3737000     -0.7259000      0.5566000
  1 1 1      31   10    0 o    2.520000      0.6347000       2.971000 0.9205000       2.069000      0.8742000      0.9018000       1.269000
  1 1 1      31   10    1 o    8.360000      0.3197000       8.446000 0.4416000       8.274000      0.4624000      0.1717000      0.6394000
  1 1 1      31   10    2 f    7.409000      0.3442000       7.485000 0.4705000       7.333000      0.5024000      0.1516000      0.6883000
  1 1 1      31   10    3 o    8.413000      0.3176000       8.387000 0.4399000       8.439000      0.4583000     -0.5180000E-01  0.6352000
  1 1 1      31   10    4 o    10.64000      0.2875000       10.39000 0.4059000       10.90000      0.4072000     -0.5086000      0.5750000
  1 1 1      31   10    5 o    13.11000      0.2821000       13.21000 0.3973000       13.01000      0.4006000      0.2028000      0.5642000
  1 1 1      31   10    6 o    5.945000      0.3872000       5.720000 0.5503000       6.171000      0.5449000     -0.4511000      0.7745000
  1 1 1      31   10    8 o    2.924000      0.7551000       2.603000 1.068000       3.246000       1.068000     -0.6431000       1.510000
  1 1 1      31   10    9 o    4.766000      0.4723000       5.442000 0.6008000       4.091000      0.7288000       1.351000      0.9445000
  1 1 1      31   10   10 o    12.36000      0.3747000       12.79000 0.5206000       11.93000      0.5390000      0.8582000      0.7493000
  1 1 1      31   10   11 o    10.18000      0.3752000       9.949000 0.5250000       10.41000      0.5360000     -0.4588000      0.7503000
  1 1 1      31   10   12 o    7.144000      0.3112000       7.476000 0.4192000       6.813000      0.4600000      0.6632000      0.6223000
  1 1 1      31   10   13 o    3.408000      0.5111000       4.573000 0.5882000       2.244000      0.8360000       2.329000       1.022000
  1 1 1      31   10   14 o    6.343000      0.3055000       6.399000 0.4321000       6.288000      0.4322000      0.1109000      0.6111000
  1 1 1      31   10   15 o    3.226000      0.5144000       3.172000 0.7233000       3.279000      0.7316000     -0.1066000       1.029000
  1 1 1      31   10   16 o    4.686000      0.3546000       4.490000 0.5077000       4.882000      0.4952000     -0.3921000      0.7092000
  1 1 1      31   10   17 o    2.049000      0.5066000       1.502000 0.6669000       2.595000      0.7628000      -1.092000       1.013000
  1 1 1      31   10   18 o    1.764000      0.7168000       1.764000 0.7168000                  ?              ?              ?              ?
  1 1 1      31   10   19 o    1.345000      0.4338000       1.373000 0.6217000       1.317000      0.6051000      0.5584000E-01  0.8676000
  1 1 1      31   10   20 o    2.087000      0.5313000       2.055000 0.8050000       2.118000      0.6936000     -0.6356000E-01   1.063000
  1 1 1      31   11    0 o    3.887000      0.6006000       3.900000 0.8670000       3.874000      0.8314000      0.2552000E-01   1.201000
  1 1 1      31   11    1 o    5.235000      0.4516000       5.218000 0.6530000       5.251000      0.6241000     -0.3294000E-01  0.9032000
  1 1 1      31   11    2 o    4.304000      0.5454000       4.950000 0.6682000       3.657000      0.8623000       1.293000       1.091000
  1 1 1      31   11    3 o    5.678000      0.4263000       5.697000 0.5978000       5.660000      0.6080000      0.3693000E-01  0.8527000
  1 1 1      31   11    4 o    6.802000      0.3593000       7.234000 0.4751000       6.369000      0.5392000      0.8652000      0.7187000
  1 1 1      31   11    5 o    9.997000      0.2935000       10.18000 0.4066000       9.816000      0.4233000      0.3624000      0.5869000
  1 1 1      31   11    6 o    1.996000      0.5884000       2.409000 0.9117000       1.584000      0.7442000      0.8255000       1.177000
  1 1 1      31   11    7 o    8.101000      0.3795000       7.630000 0.4731000       8.572000      0.5934000     -0.9415000      0.7589000
  1 1 1      31   11    8 o    6.508000      0.5393000       5.796000 0.8679000       7.219000      0.6403000      -1.423000       1.079000
  1 1 1      31   11    9 o    2.970000      0.6259000       2.702000 0.9298000       3.237000      0.8382000     -0.5351000       1.252000
  1 1 1      31   11   10 o    8.000000      0.3690000       8.221000 0.6075000       7.779000      0.4190000      0.4421000      0.7379000
  1 1 1      31   11   11 o    2.997000      0.7440000       2.852000 1.020000       3.141000       1.083000     -0.2895000       1.488000
  1 1 1      31   11   12 f    2.421000      0.6104000       2.444000 0.8791000       2.397000      0.8472000      0.4607000E-01   1.221000
  1 1 1      31   11   13 o    7.299000      0.3024000       7.073000 0.4389000       7.526000      0.4162000     -0.4524000      0.6048000
  1 1 1      31   11   14 o    5.828000      0.3450000       5.925000 0.4920000       5.731000      0.4837000      0.1942000      0.6900000
  1 1 1      31   11   15 o    3.166000      0.5404000       2.475000 0.8430000       3.857000      0.6763000      -1.382000       1.081000
  1 1 1      31   11   16 o    4.141000      0.4135000       3.951000 0.5983000       4.332000      0.5709000     -0.3807000      0.8270000
  1 1 1      31   11   17 o    4.426000      0.3783000       4.267000 0.5623000       4.586000      0.5063000     -0.3188000      0.7567000
  1 1 1      31   11   18 o    1.697000      0.7142000       1.697000 0.7142000                  ?              ?              ?              ?
  1 1 1      31   11   19 o    1.952000      0.5178000       1.889000 0.7338000       2.014000      0.7308000     -0.1250000       1.036000
  1 1 1      31   11   20 o    3.522000      0.5318000                  ?       ?   3.522000      0.5318000                  ?              ?
  1 1 1      31   11   21 o    2.978000      0.5438000       3.673000 0.8350000       2.283000      0.6970000       1.390000       1.088000
  1 1 1      31   12    0 o    9.154000      0.3113000       9.388000 0.4414000       8.920000      0.4391000      0.4688000      0.6225000
  1 1 1      31   12    1 o    2.283000      0.6177000       2.876000 0.9618000       1.690000      0.7752000       1.186000       1.235000
  1 1 1      31   12    2 o    9.656000      0.3029000       9.426000 0.4345000       9.886000      0.4222000     -0.4608000      0.6059000
  1 1 1      31   12    3 o    5.611000      0.4262000       5.786000 0.5772000       5.436000      0.6272000      0.3497000      0.8524000
  1 1 1      31   12    4 o    2.264000      0.6317000       2.201000 0.8895000       2.326000      0.8971000     -0.1243000       1.263000
  1 1 1      31   12    5 o    10.69000      0.2879000       10.77000 0.4075000       10.61000      0.4067000      0.1648000      0.5757000
  1 1 1      31   12    6 o    3.285000      0.5819000       2.369000 0.8988000       4.200000      0.7392000      -1.831000       1.164000
  1 1 1      31   12    7 f    9.820000      0.2947000       9.697000 0.4212000       9.943000      0.4123000     -0.2462000      0.5894000
  1 1 1      31   12    8 o    4.430000      0.6816000       4.037000 1.085000       4.822000      0.8257000     -0.7851000       1.363000
  1 1 1      31   12    9 o    5.742000      0.3961000       6.438000 0.5275000       5.045000      0.5909000       1.393000      0.7921000
  1 1 1      31   12   10 o    3.069000      0.6321000       3.054000 0.9109000       3.084000      0.8767000     -0.2984000E-01   1.264000
  1 1 1      31   12   11 o    5.167000      0.5903000       5.406000 0.7782000       4.928000      0.8879000      0.4786000       1.181000
  1 1 1      31   12   12 o    2.379000      0.6006000       2.052000 0.8466000       2.707000      0.8521000     -0.6544000       1.201000
  1 1 1      31   12   13 o    3.402000      0.5570000       3.406000 0.8014000       3.398000      0.7739000      0.8119000E-02   1.114000
  1 1 1      31   12   14 o    7.283000      0.2981000       7.465000 0.4241000       7.101000      0.4191000      0.3645000      0.5963000
  1 1 1      31   12   15 o    7.709000      0.2870000       7.558000 0.4251000       7.860000      0.3858000     -0.3021000      0.5740000
  1 1 1      31   12   16 o    5.459000      0.3354000       5.282000 0.4951000       5.636000      0.4527000     -0.3537000      0.6709000
  1 1 1      31   12   17 o    3.070000      0.5331000       3.102000 0.7686000       3.038000      0.7390000      0.6367000E-01   1.066000
  1 1 1      31   12   18 o    2.755000      0.5379000       2.999000 0.7515000       2.510000      0.7699000      0.4884000       1.076000
  1 1 1      31   12   19 o    3.367000      0.4587000       4.027000 0.5720000       2.706000      0.7172000       1.321000      0.9174000
  1 1 1      31   12   20 o    4.366000      0.4123000       3.989000 0.7070000       4.743000      0.4243000     -0.7534000      0.8245000
  1 1 1      31   12   21 o    3.005000      0.4469000       3.447000 0.5881000       2.564000      0.6731000      0.8825000      0.8938000
  1 1 1      31   13    0 o    7.095000      0.3661000       7.214000 0.5299000       6.976000      0.5051000      0.2382000      0.7321000
  1 1 1      31   13    1 o    7.662000      0.3481000       8.332000 0.4833000       6.992000      0.5012000       1.341000      0.6963000
  1 1 1      31   13    2 o    11.98000      0.2886000       11.85000 0.4113000       12.12000      0.4049000     -0.2751000      0.5772000
  1 1 1      31   13    3 o    5.273000      0.4485000       5.217000 0.6409000       5.330000      0.6276000     -0.1132000      0.8970000
  1 1 1      31   13    4 o    3.520000      0.5759000       2.483000 0.9331000       4.557000      0.6752000      -2.074000       1.152000
  1 1 1      31   13    5 o    6.534000      0.3693000       6.336000 0.5467000       6.732000      0.4966000     -0.3967000      0.7386000
  1 1 1      31   13    6 o    2.349000      0.6260000       2.635000 0.9168000       2.064000      0.8526000      0.5712000       1.252000
  1 1 1      31   13    7 o    9.663000      0.2915000       9.842000 0.4211000       9.483000      0.4032000      0.3585000      0.5830000
  1 1 1      31   13    8 o    4.354000      0.6642000       3.683000 1.068000       5.025000      0.7905000      -1.341000       1.328000
  1 1 1      31   13    9 o    5.365000      0.4318000       5.234000 0.6592000       5.497000      0.5578000     -0.2621000      0.8635000
  1 1 1      31   13   10 o    7.101000      0.3263000       7.484000 0.4732000       6.718000      0.4495000      0.7656000      0.6526000
  1 1 1      31   13   11 o    2.361000      0.6979000       2.509000 1.014000       2.213000      0.9588000      0.2953000       1.396000
  1 1 1      31   13   12 o    5.905000      0.4724000       5.175000 0.6144000       6.636000      0.7178000      -1.461000      0.9448000
  1 1 1      31   13   13 o    4.199000      0.4843000       4.354000 0.7010000       4.043000      0.6685000      0.3112000      0.9687000
  1 1 1      31   13   14 o    5.916000      0.3527000       5.948000 0.5241000       5.883000      0.4721000      0.6531000E-01  0.7054000
  1 1 1      31   13   15 o    8.043000      0.2795000       8.379000 0.4070000       7.707000      0.3830000      0.6715000      0.5589000
  1 1 1      31   13   16 o    2.783000      0.5779000       2.688000 0.8351000       2.879000      0.7990000     -0.1913000       1.156000
  1 1 1      31   13   17 o    3.681000      0.4813000       3.692000 0.7194000       3.670000      0.6396000      0.2254000E-01  0.9626000
  1 1 1      31   13   18 o    6.651000      0.2789000       6.726000 0.4082000       6.575000      0.3800000      0.1518000      0.5577000
  1 1 1      31   13   19 o    3.928000      0.4147000       4.333000 0.5249000       3.524000      0.6421000      0.8099000      0.8293000
  1 1 1      31   13   20 o    1.712000      0.4833000       1.359000 0.6291000       2.066000      0.7339000     -0.7070000      0.9667000
  1 1 1      31   13   21 o    3.861000      0.3758000       4.420000 0.4912000       3.301000      0.5689000       1.119000      0.7516000
  1 1 1      31   14    0 f    9.505000      0.3139000       9.413000 0.4573000       9.597000      0.4302000     -0.1836000      0.6279000
  1 1 1      31   14    1 o    6.145000      0.3932000       6.462000 0.5589000       5.829000      0.5533000      0.6327000      0.7864000
  1 1 1      31   14    2 o    4.822000      0.4910000       4.617000 0.7446000       5.028000      0.6401000     -0.4109000      0.9820000
  1 1 1      31   14    3 o    7.471000      0.3449000       7.721000 0.4803000       7.221000      0.4951000      0.4999000      0.6898000
  1 1 1      31   14    4 o    6.030000      0.4073000       5.591000 0.6292000       6.469000      0.5172000     -0.8778000      0.8145000
  1 1 1      31   14    5 o    7.050000      0.3429000       6.900000 0.5017000       7.200000      0.4677000     -0.3003000      0.6859000
  1 1 1      31   14    6 o    4.260000      0.5291000       3.701000 0.8353000       4.819000      0.6496000      -1.118000       1.058000
  1 1 1      31   14    7 o    14.25000      0.2838000       14.06000 0.4056000       14.43000      0.3970000     -0.3622000      0.5675000
  1 1 1      31   14    8 o    8.460000      0.4467000       8.258000 0.7048000       8.661000      0.5489000     -0.4034000      0.8934000
  1 1 1      31   14    9 o    3.969000      0.6939000       3.354000 1.109000       4.584000      0.8338000      -1.230000       1.388000
  1 1 1      31   14   10 o    7.086000      0.3351000       6.731000 0.5140000       7.441000      0.4300000     -0.7099000      0.6702000
  1 1 1      31   14   11 o    8.137000      0.4404000       8.440000 0.6053000       7.834000      0.6397000      0.6061000      0.8807000
  1 1 1      31   14   12 o    4.878000      0.6493000       4.251000 0.9949000       5.506000      0.8347000      -1.255000       1.299000
  1 1 1      31   14   13 o    5.699000      0.3812000       5.328000 0.6061000       6.070000      0.4625000     -0.7419000      0.7624000
  1 1 1      31   14   14 o    7.197000      0.2989000       6.885000 0.4540000       7.508000      0.3888000     -0.6231000      0.5977000
  1 1 1      31   14   15 o    3.190000      0.5552000       2.591000 0.8700000       3.789000      0.6901000      -1.198000       1.110000
  1 1 1      31   14   16 o    3.246000      0.5356000       3.048000 0.8182000       3.444000      0.6913000     -0.3962000       1.071000
  1 1 1      31   14   17 o    7.670000      0.2685000       7.562000 0.3901000       7.779000      0.3690000     -0.2170000      0.5369000
  1 1 1      31   14   18 o    3.929000      0.4190000       4.064000 0.6134000       3.793000      0.5710000      0.2716000      0.8380000
  1 1 1      31   14   19 o    1.832000      0.5031000       2.399000 0.8064000       1.265000      0.6017000       1.134000       1.006000
  1 1 1      31   14   20 o    6.571000      0.2656000       6.407000 0.3977000       6.734000      0.3521000     -0.3272000      0.5311000
  1 1 1      31   14   21 o    4.796000      0.3141000       4.662000 0.4918000       4.930000      0.3907000     -0.2683000      0.6282000
  1 1 1      31   15    0 o    5.577000      0.4510000       5.032000 0.7074000       6.122000      0.5596000      -1.090000      0.9020000
  1 1 1      31   15    1 o    9.723000      0.3064000       9.735000 0.4417000       9.710000      0.4248000      0.2499000E-01  0.6129000
  1 1 1      31   15    2 o    8.615000      0.3247000       8.901000 0.4602000       8.329000      0.4581000      0.5722000      0.6494000
  1 1 1      31   15    3 o    4.770000      0.4977000       4.568000 0.7720000       4.972000      0.6285000     -0.4041000      0.9955000
  1 1 1      31   15    4 o    3.577000      0.6107000       3.487000 0.8863000       3.667000      0.8404000     -0.1802000       1.221000
  1 1 1      31   15    5 o    5.521000      0.4317000       5.230000 0.6549000       5.813000      0.5625000     -0.5828000      0.8634000
  1 1 1      31   15    6 o    7.091000      0.3521000       7.302000 0.5025000       6.880000      0.4933000      0.4215000      0.7042000
  1 1 1      31   15    7 o    15.80000      0.2932000       15.95000 0.4205000       15.65000      0.4087000      0.3057000      0.5864000
  1 1 1      31   15    8 f    4.003000      0.5604000       3.797000 0.8428000       4.208000      0.7388000     -0.4111000       1.121000
  1 1 1      31   15    9 o    4.516000      0.6663000       3.383000 1.135000       5.648000      0.6989000      -2.265000       1.333000
  1 1 1      31   15   10 o    1.799000      0.5675000       1.926000 0.8488000       1.672000      0.7536000      0.2540000       1.135000
  1 1 1      31   15   11 o    6.539000      0.3514000       6.460000 0.5308000       6.617000      0.4605000     -0.1573000      0.7027000
  1 1 1      31   15   12 o    3.930000      0.7628000       3.939000 1.059000       3.920000       1.098000      0.1865000E-01   1.526000
  1 1 1      31   15   13 o    2.412000      0.6869000       1.861000 0.8638000       2.963000       1.068000      -1.102000       1.374000
  1 1 1      31   15   14 o    5.333000      0.3975000       4.638000 0.6490000       6.029000      0.4590000      -1.391000      0.7950000
  1 1 1      31   15   15 o    4.808000      0.4048000       4.769000 0.6077000       4.847000      0.5350000     -0.7743000E-01  0.8096000
  1 1 1      31   15   16 o    3.691000      0.4999000       2.592000 0.8427000       4.790000      0.5380000      -2.198000      0.9998000
  1 1 1      31   15   17 o    6.355000      0.2973000       6.517000 0.4259000       6.193000      0.4149000      0.3245000      0.5946000
  1 1 1      31   15   18 o    5.698000      0.3303000       5.164000 0.5268000       6.233000      0.3987000      -1.069000      0.6607000
  1 1 1      31   15   19 o    4.125000      0.6483000       4.125000 0.6483000                  ?              ?              ?              ?
  1 1 1      31   15   20 o    9.848000      0.2739000       9.150000 0.3399000       10.55000      0.4296000      -1.396000      0.5477000
  1 1 1      31   15   21 o    1.983000      0.5550000       2.092000 0.8518000       1.874000      0.7117000      0.2177000       1.110000
  1 1 1      31   16    0 o    2.163000      0.6019000       2.866000 0.9786000       1.459000      0.7010000       1.407000       1.204000
  1 1 1      31   16    1 o    2.614000      0.6594000       2.877000 0.9650000       2.351000      0.8988000      0.5256000       1.319000
  1 1 1      31   16    2 o    2.999000      0.6335000       3.586000 0.8938000       2.412000      0.8978000       1.173000       1.267000
  1 1 1      31   16    3 o    5.920000      0.4079000       6.262000 0.5755000       5.579000      0.5784000      0.6826000      0.8159000
  1 1 1      31   16    4 o    4.936000      0.4973000       5.797000 0.6125000       4.076000      0.7835000       1.721000      0.9945000
  1 1 1      31   16    5 o    8.163000      0.3290000       8.309000 0.4699000       8.018000      0.4606000      0.2908000      0.6581000
  1 1 1      31   16    6 o    5.002000      0.4965000       4.213000 0.8153000       5.791000      0.5669000      -1.578000      0.9930000
  1 1 1      31   16    7 o    5.730000      0.4293000       5.506000 0.6581000       5.955000      0.5515000     -0.4489000      0.8586000
  1 1 1      31   16    8 o    2.684000      0.6393000       3.115000 0.9276000       2.254000      0.8799000      0.8608000       1.279000
  1 1 1      31   16    9 o    6.319000      0.5182000       6.123000 0.8277000       6.515000      0.6238000     -0.3912000       1.036000
  1 1 1      31   16   10 o    4.285000      0.6887000       5.331000 0.9526000       3.239000      0.9950000       2.092000       1.377000
  1 1 1      31   16   11 o    1.771000      0.5540000       1.658000 0.7776000       1.883000      0.7894000     -0.2255000       1.108000
  1 1 1      31   16   12 o    7.912000      0.3196000       7.417000 0.4945000       8.406000      0.4051000     -0.9889000      0.6392000
  1 1 1      31   16   13 o    3.729000      0.7687000       3.247000 1.104000       4.211000       1.070000     -0.9642000       1.537000
  1 1 1      31   16   14 o    2.574000      0.6072000       2.884000 0.8943000       2.264000      0.8217000      0.6193000       1.214000
  1 1 1      31   16   15 o    3.518000      0.5375000       3.863000 0.7544000       3.172000      0.7659000      0.6916000       1.075000
  1 1 1      31   16   16 o    5.074000      0.3872000       4.824000 0.5879000       5.323000      0.5041000     -0.4996000      0.7744000
  1 1 1      31   16   17 o    10.71000      0.2524000       10.47000 0.3631000       10.95000      0.3507000     -0.4888000      0.5049000
  1 1 1      31   16   18 o    5.678000      0.3384000       5.581000 0.5204000       5.776000      0.4328000     -0.1945000      0.6768000
  1 1 1      31   16   19 o    3.443000      0.7797000       3.443000 0.7797000                  ?              ?              ?              ?
  1 1 1      31   16   20 o    4.291000      0.3928000       3.981000 0.6260000       4.600000      0.4746000     -0.6192000      0.7856000
  1 1 1      31   17    0 o    1.821000      0.5820000       1.749000 0.8088000       1.893000      0.8371000     -0.1444000       1.164000
  1 1 1      31   17    1 o    4.029000      0.6010000       3.828000 0.9221000       4.230000      0.7710000     -0.4024000       1.202000
  1 1 1      31   17    2 o    2.936000      0.6645000       2.787000 0.9725000       3.085000      0.9060000     -0.2990000       1.329000
  1 1 1      31   17    3 o    6.400000      0.4043000       6.286000 0.6100000       6.514000      0.5308000     -0.2285000      0.8086000
  1 1 1      31   17    4 o    4.552000      0.5499000       5.343000 0.6904000       3.760000      0.8562000       1.583000       1.100000
  1 1 1      31   17    5 o    7.298000      0.3591000       6.839000 0.5405000       7.757000      0.4730000     -0.9175000      0.7183000
  1 1 1      31   17    6 o    2.833000      0.6405000       2.326000 0.9314000       3.341000      0.8795000      -1.015000       1.281000
  1 1 1      31   17    7 o    2.584000      0.6727000       2.711000 0.9757000       2.457000      0.9263000      0.2537000       1.345000
  1 1 1      31   17    8 o    2.431000      0.6454000       2.293000 0.9277000       2.568000      0.8976000     -0.2757000       1.291000
  1 1 1      31   17    9 o    3.338000      0.6411000       3.056000 0.9846000       3.619000      0.8214000     -0.5636000       1.282000
  1 1 1      31   17   10 o    3.460000      0.7366000       3.326000 1.142000       3.594000      0.9304000     -0.2683000       1.473000
  1 1 1      31   17   11 o    3.053000      0.7010000       2.620000 1.080000       3.487000      0.8945000     -0.8665000       1.402000
  1 1 1      31   17   12 o    3.599000      0.5809000       3.233000 0.9255000       3.965000      0.7022000     -0.7314000       1.162000
  1 1 1      31   17   13 o    5.824000      0.4530000       6.249000 0.7704000       5.400000      0.4767000      0.8487000      0.9060000
  1 1 1      31   17   14 o    3.572000      0.8069000       3.508000 1.093000       3.636000       1.187000     -0.1281000       1.614000
  1 1 1      31   17   15 f    1.744000      0.5426000       2.146000 0.8776000       1.342000      0.6384000      0.8035000       1.085000
  1 1 1      31   17   16 o    6.844000      0.3166000       6.601000 0.4829000       7.087000      0.4095000     -0.4865000      0.6332000
  1 1 1      31   17   17 o    8.479000      0.2728000       8.438000 0.3958000       8.521000      0.3755000     -0.8283000E-01  0.5456000
  1 1 1      31   17   18 o    4.206000      0.4350000       3.888000 0.6920000       4.524000      0.5272000     -0.6361000      0.8700000
  1 1 1      31   17   19 o    3.113000      0.5435000       3.522000 0.7523000       2.704000      0.7848000      0.8179000       1.087000
  1 1 1      31   17   20 o    2.178000      0.5065000       3.027000 0.8034000       1.329000      0.6169000       1.699000       1.013000
  1 1 1      31   17   21 o    2.496000      0.6663000       2.068000 0.9139000       2.924000      0.9697000     -0.8569000       1.333000
  1 1 1      31   18    0 o    3.494000      0.6681000       3.863000 0.9306000       3.125000      0.9590000      0.7379000       1.336000
  1 1 1      31   18    1 o    2.024000      0.6149000       2.346000 0.9497000       1.703000      0.7813000      0.6429000       1.230000
  1 1 1      31   18    2 o    2.531000      0.6757000       2.854000 1.010000       2.208000      0.8982000      0.6466000       1.351000
  1 1 1      31   18    3 o    2.384000      0.6380000       2.952000 0.9833000       1.815000      0.8132000       1.137000       1.276000
  1 1 1      31   18    4 o    7.531000      0.3614000       7.437000 0.5288000       7.625000      0.4928000     -0.1879000      0.7228000
  1 1 1      31   18    5 o    3.760000      0.6320000       4.023000 0.8927000       3.497000      0.8949000      0.5260000       1.264000
  1 1 1      31   18    6 o    2.981000      0.6616000       2.596000 0.9765000       3.366000      0.8930000     -0.7697000       1.323000
  1 1 1      31   18    7 o    3.677000      0.6173000       4.284000 0.8297000       3.069000      0.9142000       1.215000       1.235000
  1 1 1      31   18    8 o    1.930000      0.5845000       1.714000 0.7895000       2.147000      0.8622000     -0.4328000       1.169000
  1 1 1      31   18    9 f    5.883000      0.4147000       5.151000 0.6662000       6.614000      0.4942000      -1.463000      0.8295000
  1 1 1      31   18   10 o    3.816000      0.5837000       3.923000 0.8653000       3.710000      0.7835000      0.2131000       1.167000
  1 1 1      31   18   11 o    2.981000      0.7249000       3.349000 1.093000       2.613000      0.9520000      0.7357000       1.450000
  1 1 1      31   18   12 o    2.311000      0.6355000       2.256000 0.9693000       2.366000      0.8221000     -0.1106000       1.271000
  1 1 1      31   18   13 o    2.672000      0.6394000       2.817000 0.9440000       2.526000      0.8627000      0.2909000       1.279000
  1 1 1      31   18   14 o    4.360000      0.4672000       3.560000 0.7780000       5.160000      0.5174000      -1.600000      0.9344000
  1 1 1      31   18   15 o    6.035000      0.5508000       5.897000 0.7312000       6.173000      0.8238000     -0.2757000       1.102000
  1 1 1      31   18   16 o    2.224000      0.6055000       2.363000 0.8984000       2.085000      0.8119000      0.2783000       1.211000
  1 1 1      31   18   17 o    2.640000      0.5896000       2.651000 0.8847000       2.629000      0.7796000      0.2192000E-01   1.179000
  1 1 1      31   18   18 o    6.356000      0.3176000       5.817000 0.4990000       6.894000      0.3932000      -1.077000      0.6353000
  1 1 1      31   18   19 o    5.215000      0.4950000       5.771000 0.4872000       4.660000      0.8619000       1.111000      0.9901000
  1 1 1      31   18   20 o    3.564000      0.4961000       4.537000 0.5932000       2.591000      0.7954000       1.946000      0.9923000
  1 1 1      31   19    0 o    4.270000      0.6153000       4.091000 0.9603000       4.450000      0.7696000     -0.3597000       1.231000
  1 1 1      31   19    1 o    2.843000      0.6343000       3.855000 0.9634000       1.832000      0.8253000       2.022000       1.269000
  1 1 1      31   19    2 o    4.462000      0.5676000       4.704000 0.8223000       4.220000      0.7826000      0.4840000       1.135000
  1 1 1      31   19    3 o    2.641000      0.6737000       2.879000 0.9939000       2.403000      0.9098000      0.4761000       1.347000
  1 1 1      31   19    4 o    11.05000      0.3020000       10.94000 0.4414000       11.15000      0.4124000     -0.2158000      0.6041000
  1 1 1      31   19    5 o    6.328000      0.4027000       6.376000 0.5934000       6.281000      0.5447000      0.9523000E-01  0.8055000
  1 1 1      31   19    6 o    2.698000      0.6557000       2.210000 0.9243000       3.186000      0.9302000     -0.9764000       1.311000
  1 1 1      31   19    7 o    9.514000      0.3053000       9.553000 0.4445000       9.475000      0.4187000      0.7758000E-01  0.6107000
  1 1 1      31   19    8 o    6.606000      0.3764000       6.526000 0.5654000       6.687000      0.4969000     -0.1610000      0.7527000
  1 1 1      31   19    9 o    6.398000      0.3713000       6.246000 0.5527000       6.549000      0.4961000     -0.3027000      0.7427000
  1 1 1      31   19   10 o    2.439000      0.6372000       2.488000 0.9240000       2.389000      0.8778000      0.9952000E-01   1.274000
  1 1 1      31   19   11 o    3.675000      0.5992000       3.732000 0.8761000       3.618000      0.8176000      0.1135000       1.198000
  1 1 1      31   19   12 o    3.154000      0.7307000       3.318000 1.123000       2.991000      0.9350000      0.3273000       1.461000
  1 1 1      31   19   13 o    1.928000      0.6265000       2.088000 0.9629000       1.769000      0.8019000      0.3191000       1.253000
  1 1 1      31   19   14 o    5.107000      0.4110000       4.979000 0.6430000       5.235000      0.5120000     -0.2556000      0.8220000
  1 1 1      31   19   15 o    3.001000      0.6008000       3.121000 0.8890000       2.881000      0.8083000      0.2405000       1.202000
  1 1 1      31   19   16 o    4.349000      0.6867000       4.426000 0.9276000       4.271000       1.013000      0.1550000       1.373000
  1 1 1      31   19   17 o    3.626000      0.7122000       3.014000 1.033000       4.239000      0.9810000      -1.225000       1.424000
  1 1 1      31   19   18 o    2.834000      0.5844000       3.064000 0.8506000       2.605000      0.8016000      0.4589000       1.169000
  1 1 1      31   19   19 o    3.740000      0.4964000       3.500000 0.7853000       3.981000      0.6076000     -0.4809000      0.9929000
  1 1 1      31   19   20 o    4.414000      0.4361000       4.098000 0.6736000       4.731000      0.5540000     -0.6330000      0.8722000
  1 1 1      31   20    0 o    4.895000      0.5526000       4.797000 0.8442000       4.992000      0.7135000     -0.1952000       1.105000
  1 1 1      31   20    1 o    5.262000      0.5084000       4.948000 0.7900000       5.577000      0.6401000     -0.6292000       1.017000
  1 1 1      31   20    2 o    5.134000      0.5137000       4.816000 0.8157000       5.453000      0.6248000     -0.6370000       1.027000
  1 1 1      31   20    3 f    2.559000      0.6276000       1.886000 0.8539000       3.233000      0.9200000      -1.346000       1.255000
  1 1 1      31   20    4 o    11.46000      0.2992000       11.26000 0.4321000       11.65000      0.4139000     -0.3887000      0.5983000
  1 1 1      31   20    5 o    8.432000      0.3310000       8.260000 0.4847000       8.604000      0.4508000     -0.3440000      0.6619000
  1 1 1      31   20    6 o    7.152000      0.3585000       7.047000 0.5325000       7.256000      0.4800000     -0.2096000      0.7169000
  1 1 1      31   20    7 o    8.409000      0.3155000       8.561000 0.4512000       8.257000      0.4411000      0.3039000      0.6310000
  1 1 1      31   20    8 o    4.811000      0.4806000       4.352000 0.7878000       5.269000      0.5506000     -0.9171000      0.9612000
  1 1 1      31   20    9 o    3.578000      0.5817000       3.111000 0.9150000       4.045000      0.7186000     -0.9337000       1.163000
  1 1 1      31   20   10 o    2.536000      0.6415000       2.893000 0.9670000       2.180000      0.8431000      0.7126000       1.283000
  1 1 1      31   20   11 o    3.966000      0.5517000       3.230000 0.9329000       4.703000      0.5892000      -1.474000       1.103000
  1 1 1      31   20   12 o    2.763000      0.6094000       2.309000 0.9098000       3.218000      0.8109000     -0.9088000       1.219000
  1 1 1      31   20   13 o    3.248000      0.7242000       3.815000 1.114000       2.681000      0.9253000       1.134000       1.448000
  1 1 1      31   20   14 o    4.803000      0.6287000       3.722000 1.123000       5.885000      0.5662000      -2.162000       1.257000
  1 1 1      31   20   15 o    1.777000      0.5529000       1.909000 0.8245000       1.644000      0.7370000      0.2657000       1.106000
  1 1 1      31   20   16 o    6.986000      0.3147000       7.029000 0.4728000       6.943000      0.4154000      0.8559000E-01  0.6293000
  1 1 1      31   20   17 o    5.117000      0.6324000       5.461000 0.7929000       4.772000      0.9854000      0.6891000       1.265000
  1 1 1      31   20   18 f    1.848000      0.6099000       1.772000 0.8362000       1.924000      0.8882000     -0.1527000       1.220000
  1 1 1      31   20   19 o    2.292000      0.5786000       1.929000 0.8250000       2.655000      0.8113000     -0.7255000       1.157000
  1 1 1      31   20   20 o    3.400000       1.055000       3.400000 1.055000                  ?              ?              ?              ?
  1 1 1      31   21    0 o    7.910000      0.3726000       7.676000 0.5540000       8.144000      0.4983000     -0.4683000      0.7452000
  1 1 1      31   21    1 o    1.998000      0.6202000       2.099000 0.9081000       1.896000      0.8448000      0.2026000       1.240000
  1 1 1      31   21    2 o    2.487000      0.6729000       2.777000 1.004000       2.196000      0.8960000      0.5810000       1.346000
  1 1 1      31   21    3 o    4.765000      0.5147000       5.019000 0.7549000       4.510000      0.6998000      0.5090000       1.029000
  1 1 1      31   21    4 o    6.687000      0.3855000       7.626000 0.5120000       5.749000      0.5765000       1.876000      0.7710000
  1 1 1      31   21    5 o    6.195000      0.4014000       6.514000 0.5730000       5.876000      0.5622000      0.6386000      0.8028000
  1 1 1      31   21    6 o    4.709000      0.4940000       4.887000 0.7122000       4.531000      0.6847000      0.3567000      0.9879000
  1 1 1      31   21    7 o    4.903000      0.4633000       4.964000 0.6844000       4.843000      0.6245000      0.1216000      0.9265000
  1 1 1      31   21    8 o    3.259000      0.6269000       3.898000 0.8637000       2.619000      0.9088000       1.279000       1.254000
  1 1 1      31   21    9 o    3.258000      0.6425000       3.289000 0.9569000       3.227000      0.8578000      0.6117000E-01   1.285000
  1 1 1      31   21   10 o    5.172000      0.4583000       4.945000 0.7215000       5.399000      0.5653000     -0.4545000      0.9166000
  1 1 1      31   21   11 o    4.440000      0.4990000       4.777000 0.7112000       4.104000      0.7002000      0.6734000      0.9980000
  1 1 1      31   21   12 o    4.130000      0.5424000       3.539000 0.9281000       4.722000      0.5618000      -1.183000       1.085000
  1 1 1      31   21   13 o    3.491000      0.5475000       2.386000 0.9236000       4.597000      0.5883000      -2.212000       1.095000
  1 1 1      31   21   14 o    3.248000      0.6010000       3.160000 0.9198000       3.336000      0.7739000     -0.1754000       1.202000
  1 1 1      31   21   15 o    2.556000      0.6985000       2.524000 1.067000       2.588000      0.9022000     -0.6386000E-01   1.397000
  1 1 1      31   21   16 o    5.043000      0.5814000       4.333000 1.008000       5.754000      0.5789000      -1.421000       1.163000
  1 1 1      31   21   17 o    5.280000      0.3862000       5.167000 0.5894000       5.394000      0.4991000     -0.2271000      0.7723000
  1 1 1      31   21   18 o    2.206000      0.5760000       2.756000 0.8861000       1.655000      0.7362000       1.101000       1.152000
  1 1 1      31   21   19 o    2.633000      0.6969000       3.268000 1.065000       1.997000      0.8997000       1.271000       1.394000
  1 1 1      31   22    0 o    3.285000      0.7160000       3.509000 1.030000       3.060000      0.9946000      0.4490000       1.432000
  1 1 1      31   22    1 o    7.632000      0.3791000       7.158000 0.5804000       8.107000      0.4880000     -0.9488000      0.7583000
  1 1 1      31   22    2 o    4.828000      0.5280000       5.186000 0.7385000       4.470000      0.7547000      0.7161000       1.056000
  1 1 1      31   22    3 o    3.332000      0.6234000       2.510000 0.9602000       4.153000      0.7952000      -1.643000       1.247000
  1 1 1      31   22    4 o    3.461000      0.6247000       2.774000 0.9692000       4.149000      0.7885000      -1.375000       1.249000
  1 1 1      31   22    5 f    2.845000      0.6597000       3.272000 0.9534000       2.418000      0.9121000      0.8534000       1.319000
  1 1 1      31   22    6 o    2.558000      0.6253000       1.958000 0.8737000       3.158000      0.8949000      -1.200000       1.251000
  1 1 1      31   22    7 o    3.757000      0.5977000       4.480000 0.7956000       3.034000      0.8922000       1.446000       1.195000
  1 1 1      31   22    8 o    5.910000      0.4297000       5.676000 0.6517000       6.144000      0.5603000     -0.4683000      0.8594000
  1 1 1      31   22    9 o    6.335000      0.3949000       5.950000 0.6274000       6.720000      0.4799000     -0.7695000      0.7899000
  1 1 1      31   22   10 o    4.299000      0.5377000       4.246000 0.8407000       4.352000      0.6707000     -0.1056000       1.075000
  1 1 1      31   22   11 o    4.005000      0.5635000       3.405000 0.9556000       4.604000      0.5976000      -1.199000       1.127000
  1 1 1      31   22   12 o    5.535000      0.4123000       5.680000 0.6300000       5.389000      0.5320000      0.2914000      0.8246000
  1 1 1      31   22   13 o    3.220000      0.6168000       3.254000 0.9388000       3.186000      0.8002000      0.6751000E-01   1.234000
  1 1 1      31   22   14 o    2.757000      0.6378000       3.015000 0.9479000       2.500000      0.8537000      0.5151000       1.276000
  1 1 1      31   22   15 o    5.122000      0.4289000       4.921000 0.6760000       5.323000      0.5282000     -0.4018000      0.8579000
  1 1 1      31   22   16 o    2.799000      0.7340000       3.055000 1.120000       2.543000      0.9495000      0.5122000       1.468000
  1 1 1      31   22   17 o    2.133000      0.6194000       1.752000 0.8442000       2.513000      0.9068000     -0.7610000       1.239000
  1 1 1      31   22   18 o    3.817000      0.6089000       3.424000 1.098000       4.209000      0.5265000     -0.7846000       1.218000
  1 1 1      31   22   19 o    3.681000      0.7051000       4.602000 0.9337000       2.761000       1.057000       1.841000       1.410000
  1 1 1      31   23    0 f    3.179000      0.8410000       3.040000 1.141000       3.318000       1.236000     -0.2772000       1.682000
  1 1 1      31   23    1 o    2.198000      0.6430000       2.331000 0.9547000       2.065000      0.8617000      0.2656000       1.286000
  1 1 1      31   23    2 o    1.814000      0.5855000       1.883000 0.8562000       1.746000      0.7990000      0.1368000       1.171000
  1 1 1      31   23    3 o    8.021000      0.3523000       7.946000 0.5160000       8.096000      0.4799000     -0.1498000      0.7046000
  1 1 1      31   23    4 o    4.397000      0.5620000       3.900000 0.8949000       4.895000      0.6799000     -0.9949000       1.124000
  1 1 1      31   23    5 o    2.755000      0.6600000       3.466000 0.9954000       2.045000      0.8670000       1.421000       1.320000
  1 1 1      31   23    6 o    3.457000      0.6390000       3.050000 1.000000       3.865000      0.7955000     -0.8151000       1.278000
  1 1 1      31   23    7 o    4.843000      0.5278000       4.174000 0.8735000       5.512000      0.5926000      -1.338000       1.056000
  1 1 1      31   23    8 o    5.376000      0.4411000       5.961000 0.6251000       4.791000      0.6225000       1.170000      0.8822000
  1 1 1      31   23    9 o    8.972000      0.3056000       8.819000 0.4682000       9.124000      0.3928000     -0.3056000      0.6112000
  1 1 1      31   23   10 o    3.687000      0.5866000       4.312000 0.8001000       3.063000      0.8580000       1.249000       1.173000
  1 1 1      31   23   11 o    4.444000      0.5176000       4.254000 0.8102000       4.635000      0.6443000     -0.3814000       1.035000
  1 1 1      31   23   12 o    5.711000      0.4234000       5.360000 0.6758000       6.061000      0.5104000     -0.7010000      0.8469000
  1 1 1      31   23   13 o    2.044000      0.5832000       2.651000 0.9473000       1.437000      0.6806000       1.214000       1.166000
  1 1 1      31   23   14 o    2.057000      0.5945000       1.976000 0.8517000       2.138000      0.8297000     -0.1614000       1.189000
  1 1 1      31   23   15 o    6.266000      0.3690000       5.461000 0.5923000       7.071000      0.4402000      -1.610000      0.7380000
  1 1 1      31   23   16 o    6.204000      0.3598000       6.135000 0.5538000       6.272000      0.4594000     -0.1371000      0.7196000
  1 1 1      31   23   17 o    2.574000      0.6171000       2.252000 0.8905000       2.896000      0.8547000     -0.6434000       1.234000
  1 1 1      31   23   18 o    2.212000      0.6128000       1.663000 0.7570000       2.762000      0.9639000      -1.099000       1.226000
  1 1 1      31   24    0 f    6.517000      0.4314000       6.372000 0.6496000       6.661000      0.5679000     -0.2897000      0.8628000
  1 1 1      31   24    1 o    4.036000      0.8571000       4.018000 1.117000       4.054000       1.300000     -0.3605000E-01   1.714000
  1 1 1      31   24    2 o    3.318000      0.6603000       1.429000 0.6844000       5.206000       1.129000      -3.777000       1.321000
  1 1 1      31   24    3 o    6.110000      0.4468000       6.051000 0.6704000       6.169000      0.5909000     -0.1176000      0.8936000
  1 1 1      31   24    4 o    2.878000      0.6938000       3.305000 1.035000       2.451000      0.9239000      0.8538000       1.388000
  1 1 1      31   24    5 o    6.411000      0.4386000       5.932000 0.6989000       6.891000      0.5301000     -0.9593000      0.8773000
  1 1 1      31   24    6 o    2.107000      0.6327000       2.378000 0.9709000       1.837000      0.8115000      0.5415000       1.265000
  1 1 1      31   24    7 o    4.667000      0.5617000       4.347000 0.9072000       4.986000      0.6624000     -0.6394000       1.123000
  1 1 1      31   24    8 o    4.255000      0.5659000       3.900000 0.9291000       4.610000      0.6464000     -0.7100000       1.132000
  1 1 1      31   24    9 o    8.635000      0.3116000       8.616000 0.4614000       8.653000      0.4189000     -0.3689000E-01  0.6232000
  1 1 1      31   24   10 o    2.260000      0.6380000       2.482000 0.9583000       2.039000      0.8424000      0.4423000       1.276000
  1 1 1      31   24   11 o    2.497000      0.6457000       2.423000 0.9344000       2.571000      0.8913000     -0.1481000       1.291000
  1 1 1      31   24   12 o    6.871000      0.3429000       6.811000 0.5080000       6.932000      0.4607000     -0.1203000      0.6858000
  1 1 1      31   24   13 o    3.711000      0.5783000       3.875000 0.8432000       3.546000      0.7916000      0.3289000       1.157000
  1 1 1      31   24   14 o    2.699000      0.6388000       3.053000 0.9342000       2.345000      0.8714000      0.7079000       1.278000
  1 1 1      31   24   15 o    3.644000      0.5670000       3.071000 0.9199000       4.216000      0.6632000      -1.144000       1.134000
  1 1 1      31   24   16 o    2.598000      0.6294000       2.410000 0.9121000       2.786000      0.8676000     -0.3755000       1.259000
  1 1 1      31   24   17 o    2.669000      0.6317000       2.640000 0.9305000       2.699000      0.8545000     -0.5833000E-01   1.263000
  1 1 1      31   25    0 o    9.230000      0.3502000       9.008000 0.5267000       9.452000      0.4617000     -0.4447000      0.7005000
  1 1 1      31   25    1 o    4.882000      0.5533000       5.607000 0.7037000       4.158000      0.8541000       1.450000       1.107000
  1 1 1      31   25    2 o    2.994000      0.8270000       2.974000 1.132000       3.014000       1.206000     -0.4025000E-01   1.654000
  1 1 1      31   25    3 o    2.345000      0.7451000       2.274000 1.028000       2.416000       1.079000     -0.1423000       1.490000
  1 1 1      31   25    4 o    2.147000      0.6317000       1.815000 0.8449000       2.480000      0.9395000     -0.6654000       1.263000
  1 1 1      31   25    5 f    2.559000      0.6757000       2.798000 0.9936000       2.320000      0.9160000      0.4771000       1.351000
  1 1 1      31   25    6 o    2.547000      0.6715000       2.568000 1.003000       2.526000      0.8926000      0.4221000E-01   1.343000
  1 1 1      31   25    7 o    4.832000      0.5468000       4.193000 0.9138000       5.472000      0.6007000      -1.280000       1.094000
  1 1 1      31   25    8 o    3.207000      0.6606000       3.648000 0.9540000       2.766000      0.9139000      0.8827000       1.321000
  1 1 1      31   25    9 o    2.513000      0.6650000       2.572000 0.9625000       2.453000      0.9179000      0.1191000       1.330000
  1 1 1      31   25   10 o    4.259000      0.5353000       4.783000 0.7256000       3.736000      0.7873000       1.047000       1.071000
  1 1 1      31   25   11 o    3.219000      0.6501000       3.422000 0.9746000       3.016000      0.8605000      0.4064000       1.300000
  1 1 1      31   25   12 o    4.778000      0.5160000       4.052000 0.8698000       5.503000      0.5555000      -1.451000       1.032000
  1 1 1      31   25   13 o    2.191000      0.6233000       2.332000 0.9201000       2.050000      0.8412000      0.2819000       1.247000
  1 1 1      31   25   14 o    1.806000      0.5597000       1.559000 0.7399000       2.053000      0.8400000     -0.4934000       1.119000
  1 1 1      31   25   15 o    2.555000      0.6319000       2.917000 0.9160000       2.193000      0.8708000      0.7240000       1.264000
  1 1 1      31   25   16 o    2.850000      0.5799000       1.978000 0.8494000       3.721000      0.7898000      -1.742000       1.160000
  1 1 1      31   26    0 o    6.515000      0.5869000       6.607000 0.9679000       6.423000      0.6640000      0.1836000       1.174000
  1 1 1      31   26    1 o    2.194000      0.6358000       2.065000 0.9044000       2.322000      0.8937000     -0.2572000       1.272000
  1 1 1      31   26    2 o    2.589000      0.7103000       2.657000 1.046000       2.522000      0.9611000      0.1346000       1.421000
  1 1 1      31   26    3 o    1.971000      0.6192000       1.827000 0.8500000       2.115000      0.9007000     -0.2884000       1.238000
  1 1 1      31   26    4 o    3.926000      0.8664000       4.418000 1.151000       3.433000       1.295000      0.9845000       1.733000
  1 1 1      31   26    5 o    7.434000      0.6388000       8.073000 0.6993000       6.795000       1.069000       1.278000       1.278000
  1 1 1      31   26    6 o    4.589000      0.5564000       4.163000 0.8916000       5.016000      0.6659000     -0.8529000       1.113000
  1 1 1      31   26    7 o    3.942000      0.6289000       4.077000 0.9669000       3.808000      0.8046000      0.2696000       1.258000
  1 1 1      31   26    8 o    5.960000      0.6031000       6.648000 0.6108000       5.273000       1.040000       1.375000       1.206000
  1 1 1      31   26    9 o    7.063000      0.3680000       7.404000 0.5513000       6.721000      0.4876000      0.6836000      0.7360000
  1 1 1      31   26   10 f    2.720000      0.6286000       2.285000 0.9356000       3.154000      0.8398000     -0.8694000       1.257000
  1 1 1      31   26   11 o    6.218000      0.4018000       6.502000 0.5872000       5.933000      0.5485000      0.5688000      0.8035000
  1 1 1      31   26   12 o    3.489000      0.6193000       4.083000 0.8531000       2.895000      0.8980000       1.188000       1.239000
  1 1 1      31   26   13 o    3.821000      0.5743000       2.924000 0.9567000       4.719000      0.6357000      -1.795000       1.149000
  1 1 1      31   26   14 o    3.250000      0.6499000       3.290000 0.9341000       3.210000      0.9037000      0.7975000E-01   1.300000
  1 1 1      31   26   15 o    2.923000      0.6419000       3.370000 0.9098000       2.476000      0.9058000      0.8939000       1.284000
  1 1 1      31   26   16 o    2.290000       1.011000                  ?       ?   2.290000       1.011000                  ?              ?
  1 1 1      31   27    0 o    2.576000      0.7015000       2.653000 1.032000       2.499000      0.9501000      0.1543000       1.403000
  1 1 1      31   27    1 o    2.310000      0.7297000       2.770000 1.175000       1.850000      0.8651000      0.9193000       1.459000
  1 1 1      31   27    2 o    2.897000      0.8166000       3.212000 1.261000       2.582000       1.038000      0.6299000       1.633000
  1 1 1      31   27    3 o    2.015000      0.6301000       2.135000 0.9363000       1.896000      0.8435000      0.2386000       1.260000
  1 1 1      31   27    4 o    2.794000      0.6923000       3.251000 1.032000       2.337000      0.9232000      0.9140000       1.385000
  1 1 1      31   27    5 o    5.928000      0.4941000       6.647000 0.8007000       5.210000      0.5791000       1.437000      0.9882000
  1 1 1      31   27    6 o    2.683000      0.7835000       3.180000 1.192000       2.187000       1.017000      0.9927000       1.567000
  1 1 1      31   27    7 f    3.515000      0.7000000       4.063000 0.7964000       2.966000       1.151000       1.097000       1.400000
  1 1 1      31   27    8 o    4.202000      0.5870000       4.656000 0.8619000       3.748000      0.7972000      0.9079000       1.174000
  1 1 1      31   27    9 o    5.888000      0.4274000       6.214000 0.5959000       5.562000      0.6128000      0.6515000      0.8548000
  1 1 1      31   27   10 o    7.329000      0.3555000       7.332000 0.5359000       7.326000      0.4673000      0.6115000E-02  0.7111000
  1 1 1      31   27   11 o    7.558000      0.3484000       7.523000 0.5232000       7.594000      0.4603000     -0.7086000E-01  0.6968000
  1 1 1      31   27   12 o    3.850000      0.6193000       3.809000 0.9152000       3.892000      0.8347000     -0.8232000E-01   1.239000
  1 1 1      31   27   13 o    4.983000      0.4886000       4.656000 0.7621000       5.309000      0.6118000     -0.6537000      0.9773000
  1 1 1      31   27   14 o    4.087000      0.5746000       4.616000 0.7699000       3.559000      0.8532000       1.057000       1.149000
  1 1 1      31   28    0 o    4.088000      0.6584000       3.613000 1.084000       4.563000      0.7470000     -0.9498000       1.317000
  1 1 1      31   28    1 o    3.564000      0.6993000       3.411000 1.075000       3.717000      0.8950000     -0.3063000       1.399000
  1 1 1      31   28    2 o    2.838000      0.7062000       2.906000 1.053000       2.769000      0.9412000      0.1369000       1.412000
  1 1 1      31   28    3 o    3.166000      0.8041000       3.047000 1.242000       3.284000       1.021000     -0.2372000       1.608000
  1 1 1      31   28    4 o    3.495000      0.8003000       4.448000 1.260000       2.542000      0.9866000       1.906000       1.601000
  1 1 1      31   28    5 o    2.157000      0.6481000       2.503000 1.008000       1.811000      0.8154000      0.6921000       1.296000
  1 1 1      31   28    6 o    5.375000      0.4825000       5.394000 0.6959000       5.357000      0.6686000      0.3759000E-01  0.9650000
  1 1 1      31   28    7 f    2.357000      0.6893000       2.638000 1.103000       2.075000      0.8275000      0.5633000       1.379000
  1 1 1      31   28    8 o    3.350000      0.8231000       2.672000 1.087000       4.028000       1.236000      -1.356000       1.646000
  1 1 1      31   28    9 o    7.406000      0.5632000       7.918000 0.6693000       6.894000      0.9061000       1.025000       1.126000
  1 1 1      31   28   10 f    7.028000      0.3820000       6.627000 0.5819000       7.429000      0.4949000     -0.8022000      0.7639000
  1 1 1      31   28   11 o    2.542000      0.6710000       2.779000 0.9990000       2.305000      0.8961000      0.4749000       1.342000
  1 1 1      31   28   12 o    4.346000      0.5751000       4.331000 0.8641000       4.362000      0.7591000     -0.3132000E-01   1.150000
  1 1 1      31   28   13 o    5.038000      0.5066000       4.507000 0.8092000       5.569000      0.6097000      -1.062000       1.013000
  1 1 1      31   29    0 o    2.917000      0.7155000       3.079000 1.055000       2.755000      0.9663000      0.3238000       1.431000
  1 1 1      31   29    1 o    2.151000      0.6557000       2.157000 0.9385000       2.144000      0.9159000      0.1288000E-01   1.311000
  1 1 1      31   29    2 o    2.314000      0.6701000       2.531000 1.011000       2.097000      0.8799000      0.4342000       1.340000
  1 1 1      31   29    3 f    2.837000      0.7022000       2.551000 1.012000       3.123000      0.9732000     -0.5723000       1.404000
  1 1 1      31   29    4 o    4.279000      0.5982000       2.844000 1.013000       5.713000      0.6366000      -2.869000       1.196000
  1 1 1      31   29    5 o    2.449000      0.7076000       1.970000 0.9382000       2.929000       1.059000     -0.9592000       1.415000
  1 1 1      31   29    6 o    4.428000      0.7730000       4.040000 1.300000       4.816000      0.8367000     -0.7765000       1.546000
  1 1 1      31   29    7 o    2.241000      0.6451000       2.192000 0.9516000       2.289000      0.8713000     -0.9666000E-01   1.290000
  1 1 1      31   29    8 o    2.143000      0.6381000       2.453000 0.9718000       1.833000      0.8274000      0.6201000       1.276000
  1 1 1      31   29    9 o    3.056000      0.6763000       2.665000 1.011000       3.447000      0.8988000     -0.7816000       1.353000
  1 1 1      31   29   10 o    3.037000      0.7885000       3.754000 1.168000       2.320000       1.059000       1.433000       1.577000
  1 1 1      31   29   11 o    3.655000      0.8606000       3.389000 1.204000       3.921000       1.230000     -0.5323000       1.721000
  1 1 1      31   29   12 o    2.873000      0.8221000       2.756000 1.143000       2.990000       1.182000     -0.2332000       1.644000
  1 1 1      31   30    0 o    2.619000      0.7024000       2.772000 1.060000       2.466000      0.9221000      0.3063000       1.405000
  1 1 1      31   30    1 o    2.553000      0.6802000       2.189000 0.9450000       2.917000      0.9787000     -0.7277000       1.360000
  1 1 1      31   30    2 f    2.464000      0.6750000       2.645000 0.9783000       2.283000      0.9302000      0.3620000       1.350000
  1 1 1      31   30    3 f    1.718000      0.5698000       1.937000 0.8810000       1.500000      0.7227000      0.4375000       1.140000
  1 1 1      31   30    4 o    2.639000      0.6893000       2.434000 0.9751000       2.844000      0.9744000     -0.4096000       1.379000
  1 1 1      31   30    5 o    1.952000      0.6147000       2.210000 0.9427000       1.695000      0.7891000      0.5151000       1.229000
  1 1 1      31   30    6 o    3.598000      0.6144000       2.445000 0.9901000       4.750000      0.7279000      -2.305000       1.229000
  1 1 1      31   30    7 o    2.747000      0.7954000       3.354000 1.281000       2.141000      0.9427000       1.213000       1.591000
  1 1 1      31   30    8 o    3.923000      0.8162000       3.568000 1.265000       4.277000       1.032000     -0.7089000       1.632000
  1 1 1      31   30    9 o    2.532000      0.6680000       2.509000 0.9559000       2.555000      0.9332000     -0.4689000E-01   1.336000
  1 1 1      31   30   10 o    2.910000      0.8360000       2.693000 1.149000       3.126000       1.215000     -0.4325000       1.672000
  1 1 1      31   31    0 o    3.122000      0.7054000       2.561000 1.033000       3.683000      0.9608000      -1.123000       1.411000
  1 1 1      31   31    1 f    3.157000      0.7164000       3.556000 1.048000       2.757000      0.9768000      0.7989000       1.433000
  1 1 1      31   31    2 o    1.831000      0.5912000       2.255000 0.9573000       1.407000      0.6940000      0.8478000       1.182000
  1 1 1      31   31    3 o    2.203000      0.6176000       1.584000 0.7653000       2.823000      0.9696000      -1.239000       1.235000
  1 1 1      31   31    4 o    2.255000      0.6665000       2.558000 1.008000       1.951000      0.8718000      0.6076000       1.333000
  1 1 1      31   31    5 o    2.071000      0.6298000       1.724000 0.8148000       2.418000      0.9604000     -0.6944000       1.260000
  1 1 1      31   31    6 o    2.187000      0.7037000       1.695000 0.8159000       2.678000       1.147000     -0.9836000       1.407000
  1 1 1      31   31    7 o    2.016000      0.6310000       1.968000 0.8938000       2.065000      0.8908000     -0.9662000E-01   1.262000
  1 1 1      31   32    0 o    3.129000      0.8173000       3.290000 1.124000       2.969000       1.186000      0.3214000       1.635000
  1 1 1      31   32    1 o    2.959000      0.7639000       3.536000 1.077000       2.381000       1.084000       1.155000       1.528000
  1 1 1      31   32    2 o    2.703000      0.8159000       2.755000 1.173000       2.651000       1.135000      0.1033000       1.632000
  1 1 1      31   32    3 o    2.052000      0.9920000                  ?       ?   2.052000      0.9920000                  ?              ?
  1 1 1      32   -3    0 o    3.309000      0.6656000       2.471000 1.007000       4.147000      0.8700000      -1.676000       1.331000
  1 1 1      32   -3    1 o    3.423000      0.7120000       4.230000 0.9912000       2.615000       1.022000       1.615000       1.424000
  1 1 1      32   -3    2 o    3.217000      0.6883000       2.940000 0.8820000       3.494000       1.057000     -0.5544000       1.377000
  1 1 1      32   -3    3 o    4.347000       1.036000       4.347000 1.036000                  ?              ?              ?              ?
  1 1 1      32   -2    0 o    3.362000      0.7064000       2.616000 1.031000       4.108000      0.9662000      -1.492000       1.413000
  1 1 1      32   -2    1 o    5.481000      0.3988000       5.100000 0.6282000       5.862000      0.4916000     -0.7619000      0.7977000
  1 1 1      32   -2    2 o    2.743000      0.7279000       2.391000 0.9895000       3.094000       1.068000     -0.7026000       1.456000
  1 1 1      32   -2    3 f    3.919000      0.6549000       3.553000 1.013000       4.286000      0.8304000     -0.7333000       1.310000
  1 1 1      32   -2    4 o    3.617000      0.5274000       3.158000 0.8381000       4.076000      0.6403000     -0.9179000       1.055000
  1 1 1      32   -2    5 o    2.482000      0.5946000       2.280000 0.8501000       2.684000      0.8315000     -0.4038000       1.189000
  1 1 1      32   -2    6 o    4.960000      0.4107000       4.792000 0.6062000       5.129000      0.5542000     -0.3371000      0.8213000
  1 1 1      32   -2    7 o    4.794000      0.8957000       4.794000 0.8957000                  ?              ?              ?              ?
  1 1 1      32   -1    0 o    3.282000      0.6036000       3.434000 0.8945000       3.130000      0.8106000      0.3040000       1.207000
  1 1 1      32   -1    1 o    2.175000      0.6593000       2.051000 0.9225000       2.299000      0.9421000     -0.2479000       1.319000
  1 1 1      32   -1    2 f    3.654000      0.6938000       3.209000 1.054000       4.099000      0.9020000     -0.8895000       1.388000
  1 1 1      32   -1    3 o    2.580000      0.6114000       2.288000 0.8646000       2.871000      0.8648000     -0.5828000       1.223000
  1 1 1      32   -1    4 o    6.008000      0.3666000       5.676000 0.5812000       6.339000      0.4470000     -0.6626000      0.7332000
  1 1 1      32   -1    5 o    2.365000      0.5370000       1.545000 0.7203000       3.185000      0.7965000      -1.640000       1.074000
  1 1 1      32   -1    6 o    5.471000      0.3747000       5.615000 0.5601000       5.327000      0.4979000      0.2880000      0.7494000
  1 1 1      32   -1    7 o    2.425000      0.5802000       2.937000 0.8507000       1.914000      0.7894000       1.023000       1.160000
  1 1 1      32   -1    8 o    4.529000      0.4093000       4.530000 0.5831000       4.527000      0.5745000      0.3566000E-02  0.8186000
  1 1 1      32   -1    9 o    2.335000      0.5843000       2.406000 0.8400000       2.264000      0.8125000      0.1422000       1.169000
  1 1 1      32    0    0 o    8.270000      0.3882000       7.386000 0.6767000       9.153000      0.3807000      -1.767000      0.7765000
  1 1 1      32    0    1 o    4.400000      0.6404000       4.470000 0.9394000       4.331000      0.8706000      0.1396000       1.281000
  1 1 1      32    0    2 f    4.466000      0.4566000       4.259000 0.6974000       4.673000      0.5896000     -0.4144000      0.9132000
  1 1 1      32    0    3 o    5.271000      0.4024000       4.731000 0.6447000       5.811000      0.4817000      -1.079000      0.8048000
  1 1 1      32    0    4 o    2.116000      0.5872000       2.008000 0.8366000       2.225000      0.8241000     -0.2166000       1.174000
  1 1 1      32    0    5 o    6.275000      0.3488000       6.176000 0.5338000       6.375000      0.4492000     -0.1987000      0.6977000
  1 1 1      32    0    6 o    4.041000      0.4868000       4.338000 0.6912000       3.743000      0.6857000      0.5948000      0.9736000
  1 1 1      32    0    7 o    2.653000      0.5662000       3.272000 0.8157000       2.033000      0.7854000       1.239000       1.132000
  1 1 1      32    0    8 o    2.466000      0.5543000       3.169000 0.8178000       1.763000      0.7483000       1.406000       1.109000
  1 1 1      32    0    9 o    2.575000      0.5654000       3.044000 0.8038000       2.105000      0.7953000      0.9387000       1.131000
  1 1 1      32    0   10 o    2.022000      0.5587000       2.258000 0.8373000       1.787000      0.7400000      0.4709000       1.117000
  1 1 1      32    0   11 o    2.730000      0.5547000       2.251000 0.8268000       3.208000      0.7397000     -0.9564000       1.109000
  1 1 1      32    1    0 o    3.814000      0.9175000                  ?       ?   3.814000      0.9175000                  ?              ?
  1 1 1      32    1    1 o    2.892000      0.5403000       4.158000 0.8019000       1.626000      0.7242000       2.532000       1.081000
  1 1 1      32    1    2 o    3.426000      0.5794000       3.048000 0.8989000       3.804000      0.7315000     -0.7561000       1.159000
  1 1 1      32    1    3 o    6.463000      0.3613000       5.853000 0.5785000       7.073000      0.4329000      -1.220000      0.7225000
  1 1 1      32    1    4 o    2.777000      0.6124000       3.119000 0.9105000       2.436000      0.8192000      0.6830000       1.225000
  1 1 1      32    1    5 o    3.056000      0.5700000       3.721000 0.7928000       2.391000      0.8191000       1.329000       1.140000
  1 1 1      32    1    6 o    5.270000      0.3873000       4.998000 0.5969000       5.542000      0.4937000     -0.5450000      0.7746000
  1 1 1      32    1    7 o    2.341000      0.5676000       1.990000 0.8068000       2.691000      0.7986000     -0.7007000       1.135000
  1 1 1      32    1    8 o    1.546000      0.5015000       1.493000 0.6980000       1.600000      0.7203000     -0.1069000       1.003000
  1 1 1      32    1    9 o    2.856000      0.5830000       3.111000 0.8317000       2.600000      0.8171000      0.5111000       1.166000
  1 1 1      32    1   10 o    2.137000      0.5628000       1.872000 0.7943000       2.401000      0.7975000     -0.5295000       1.126000
  1 1 1      32    1   11 o    3.951000      0.4583000       3.879000 0.6864000       4.024000      0.6074000     -0.1453000      0.9166000
  1 1 1      32    1   12 o    5.439000      0.3524000       4.766000 0.5650000       6.112000      0.4212000      -1.346000      0.7047000
  1 1 1      32    2    0 f    8.158000      0.3020000       8.366000 0.4238000       7.950000      0.4305000      0.4163000      0.6040000
  1 1 1      32    2    1 o    1.859000      0.5445000       1.504000 0.6962000       2.213000      0.8375000     -0.7095000       1.089000
  1 1 1      32    2    2 f    4.158000      0.4500000       4.079000 0.6310000       4.237000      0.6419000     -0.1578000      0.9001000
  1 1 1      32    2    3 o    4.875000      0.3897000       4.848000 0.5474000       4.902000      0.5548000     -0.5407000E-01  0.7794000
  1 1 1      32    2    4 o    1.956000      0.5376000       1.631000 0.7119000       2.280000      0.8058000     -0.6484000       1.075000
  1 1 1      32    2    5 o    5.472000      0.4880000       5.246000 0.8409000       5.698000      0.4955000     -0.4528000      0.9760000
  1 1 1      32    2    6 o    6.521000      0.3429000       6.123000 0.5418000       6.919000      0.4205000     -0.7966000      0.6858000
  1 1 1      32    2    7 o    2.193000      0.5870000       2.504000 0.8861000       1.883000      0.7702000      0.6217000       1.174000
  1 1 1      32    2    8 o    2.587000      0.5968000       2.601000 0.8866000       2.574000      0.7992000      0.2657000E-01   1.194000
  1 1 1      32    2    9 o    3.044000      0.5652000       3.059000 0.8194000       3.029000      0.7786000      0.3049000E-01   1.130000
  1 1 1      32    2   10 o    2.007000      0.5640000       2.086000 0.8248000       1.928000      0.7695000      0.1581000       1.128000
  1 1 1      32    2   11 o    6.716000      0.3093000       6.310000 0.4810000       7.122000      0.3890000     -0.8124000      0.6186000
  1 1 1      32    2   12 o    5.001000      0.5498000       5.749000 0.7307000       4.253000      0.8216000       1.495000       1.100000
  1 1 1      32    2   13 o    3.662000      0.4732000       3.325000 0.7257000       3.999000      0.6073000     -0.6747000      0.9463000
  1 1 1      32    2   14 o    2.323000      0.9104000       2.323000 0.9104000                  ?              ?              ?              ?
  1 1 1      32    3    0 o    4.343000      0.4846000       4.223000 0.6792000       4.464000      0.6914000     -0.2404000      0.9692000
  1 1 1      32    3    1 o    1.852000      0.5608000       1.960000 0.8088000       1.743000      0.7770000      0.2166000       1.122000
  1 1 1      32    3    2 o    3.486000      0.5579000       3.075000 0.8450000       3.898000      0.7286000     -0.8227000       1.116000
  1 1 1      32    3    3 o    6.118000      0.3602000       6.422000 0.4660000       5.814000      0.5494000      0.6075000      0.7204000
  1 1 1      32    3    4 o    5.624000      0.3687000       5.619000 0.5065000       5.629000      0.5360000     -0.1020000E-01  0.7375000
  1 1 1      32    3    5 o    3.284000      0.5467000       3.560000 0.7335000       3.008000      0.8109000      0.5527000       1.093000
  1 1 1      32    3    6 o    3.698000      0.4885000       3.685000 0.6761000       3.711000      0.7053000     -0.2644000E-01  0.9771000
  1 1 1      32    3    7 o    4.861000      0.3741000       4.607000 0.5355000       5.114000      0.5224000     -0.5067000      0.7481000
  1 1 1      32    3    8 o    2.970000      0.6219000       2.458000 1.024000       3.483000      0.7058000      -1.025000       1.244000
  1 1 1      32    3    9 o    5.245000      0.3662000       5.260000 0.5536000       5.229000      0.4795000      0.3075000E-01  0.7324000
  1 1 1      32    3   10 o    2.214000      0.5818000       2.390000 0.8587000       2.039000      0.7854000      0.3501000       1.164000
  1 1 1      32    3   11 o    5.702000      0.5291000       6.664000 0.6764000       4.740000      0.8138000       1.924000       1.058000
  1 1 1      32    3   12 o    5.726000      0.5075000       5.550000 0.7753000       5.902000      0.6550000     -0.3518000       1.015000
  1 1 1      32    3   13 o    2.840000      0.5143000       2.199000 0.8016000       3.480000      0.6446000      -1.281000       1.029000
  1 1 1      32    3   14 o    4.248000      0.5445000       3.715000 0.8746000       4.780000      0.6488000      -1.065000       1.089000
  1 1 1      32    3   15 o    2.878000      0.5918000       3.434000 0.9130000       2.321000      0.7531000       1.113000       1.184000
  1 1 1      32    4    0 o    3.169000      0.6192000       3.069000 0.8732000       3.268000      0.8781000     -0.1994000       1.238000
  1 1 1      32    4    1 o    2.948000      0.5899000       3.587000 0.8084000       2.309000      0.8594000       1.279000       1.180000
  1 1 1      32    4    2 o    1.676000      0.5351000       1.771000 0.7808000       1.581000      0.7320000      0.1900000       1.070000
  1 1 1      32    4    3 o    7.015000      0.3228000       7.184000 0.4403000       6.846000      0.4720000      0.3373000      0.6455000
  1 1 1      32    4    4 f    4.877000      0.4350000       5.660000 0.5103000       4.094000      0.7045000       1.566000      0.8700000
  1 1 1      32    4    5 o    2.185000      0.5399000       1.383000 0.6539000       2.987000      0.8593000      -1.604000       1.080000
  1 1 1      32    4    6 o    7.313000      0.2959000       7.005000 0.4206000       7.620000      0.4163000     -0.6150000      0.5918000
  1 1 1      32    4    7 o    3.940000      0.4717000       3.879000 0.6392000       4.000000      0.6939000     -0.1211000      0.9435000
  1 1 1      32    4    8 o    3.426000      0.5176000       2.810000 0.7986000       4.043000      0.6588000      -1.233000       1.035000
  1 1 1      32    4    9 o    4.603000      0.3866000       4.587000 0.5484000       4.618000      0.5452000     -0.3147000E-01  0.7732000
  1 1 1      32    4   10 o    2.931000      0.5595000       3.342000 0.7519000       2.520000      0.8288000      0.8225000       1.119000
  1 1 1      32    4   11 o    6.408000      0.4737000       6.167000 0.7226000       6.649000      0.6127000     -0.4827000      0.9474000
  1 1 1      32    4   12 o    2.242000      0.6052000       2.073000 0.9166000       2.411000      0.7904000     -0.3384000       1.210000
  1 1 1      32    4   13 o    2.754000      0.5519000       2.756000 0.8124000       2.752000      0.7472000      0.3986000E-02   1.104000
  1 1 1      32    4   15 o    2.755000      0.5277000       2.230000 0.8084000       3.280000      0.6786000      -1.050000       1.055000
  1 1 1      32    5    0 o    9.378000      0.3043000       9.162000 0.4199000       9.594000      0.4405000     -0.4318000      0.6085000
  1 1 1      32    5    1 o    3.230000      0.5963000       3.444000 0.8157000       3.016000      0.8701000      0.4278000       1.193000
  1 1 1      32    5    2 o    1.359000      0.4622000       1.361000 0.6525000       1.358000      0.6548000      0.3278000E-02  0.9244000
  1 1 1      32    5    3 o    7.682000      0.3083000       7.652000 0.4394000       7.712000      0.4325000     -0.5997000E-01  0.6165000
  1 1 1      32    5    4 o    2.891000      0.6078000       2.889000 0.8344000       2.893000      0.8839000     -0.4013000E-02   1.216000
  1 1 1      32    5    5 o    5.165000      0.3966000       5.022000 0.5448000       5.309000      0.5766000     -0.2878000      0.7933000
  1 1 1      32    5    6 o    3.093000      0.5681000       2.910000 0.7826000       3.275000      0.8238000     -0.3650000       1.136000
  1 1 1      32    5    7 o    7.553000      0.2997000       7.101000 0.4300000       8.005000      0.4175000     -0.9041000      0.5993000
  1 1 1      32    5    8 o    2.124000      0.5814000       2.054000 0.8069000       2.195000      0.8371000     -0.1404000       1.163000
  1 1 1      32    5    9 o    3.242000      0.5368000       3.513000 0.6968000       2.970000      0.8166000      0.5435000       1.074000
  1 1 1      32    5   10 o    4.882000      0.6502000       5.067000 0.9718000       4.697000      0.8641000      0.3701000       1.300000
  1 1 1      32    5   11 o    4.808000      0.5481000       4.459000 0.9880000       5.157000      0.4751000     -0.6982000       1.096000
  1 1 1      32    5   12 o    4.982000      0.3455000       4.939000 0.4779000       5.024000      0.4991000     -0.8469000E-01  0.6910000
  1 1 1      32    5   13 o    3.895000      0.5297000       3.339000 0.7752000       4.451000      0.7221000      -1.112000       1.059000
  1 1 1      32    5   14 o    5.386000      0.3111000       5.263000 0.4363000       5.508000      0.4436000     -0.2449000      0.6222000
  1 1 1      32    5   15 f    4.835000      0.4755000       4.394000 0.8385000       5.275000      0.4488000     -0.8804000      0.9511000
  1 1 1      32    5   16 o    1.894000      0.5252000       1.688000 0.7296000       2.099000      0.7556000     -0.4113000       1.050000
  1 1 1      32    6    0 o    4.640000      0.4902000       4.720000 0.6946000       4.560000      0.6920000      0.1600000      0.9805000
  1 1 1      32    6    1 o    9.901000      0.2893000       10.18000 0.4066000       9.626000      0.4117000      0.5502000      0.5787000
  1 1 1      32    6    2 o    3.199000      0.6015000       3.744000 0.7884000       2.653000      0.9086000       1.091000       1.203000
  1 1 1      32    6    3 o    5.236000      0.4064000       5.176000 0.5776000       5.295000      0.5718000     -0.1185000      0.8128000
  1 1 1      32    6    4 o    2.089000      0.5928000       1.906000 0.8015000       2.271000      0.8735000     -0.3646000       1.186000
  1 1 1      32    6    5 o    4.909000      0.4201000       5.108000 0.5640000       4.711000      0.6228000      0.3967000      0.8402000
  1 1 1      32    6    6 o    2.535000      0.5975000       2.865000 0.8330000       2.206000      0.8568000      0.6584000       1.195000
  1 1 1      32    6    7 o    7.587000      0.2974000       7.710000 0.4093000       7.464000      0.4317000      0.2464000      0.5949000
  1 1 1      32    6    8 o    5.308000      0.3766000       5.361000 0.5091000       5.256000      0.5550000      0.1050000      0.7532000
  1 1 1      32    6    9 o    6.875000      0.3136000       6.627000 0.4453000       7.122000      0.4418000     -0.4953000      0.6273000
  1 1 1      32    6   10 o    3.897000      0.6620000       2.795000 1.054000       4.999000      0.8011000      -2.204000       1.324000
  1 1 1      32    6   11 o    2.650000      0.5236000       3.442000 0.6943000       1.858000      0.7841000       1.584000       1.047000
  1 1 1      32    6   12 o    5.011000      0.5179000       5.276000 0.8824000       4.746000      0.5423000      0.5297000       1.036000
  1 1 1      32    6   13 o    3.196000      0.5988000       3.478000 0.7618000       2.915000      0.9240000      0.5628000       1.198000
  1 1 1      32    6   14 o    4.216000      0.3889000       4.036000 0.5639000       4.396000      0.5357000     -0.3598000      0.7778000
  1 1 1      32    6   15 o    2.855000      0.4996000       2.314000 0.7535000       3.395000      0.6561000      -1.081000      0.9991000
  1 1 1      32    6   16 o    3.579000      0.5831000       3.579000 0.5831000                  ?              ?              ?              ?
  1 1 1      32    6   17 o    3.365000      0.4496000       3.666000 0.5467000       3.063000      0.7139000      0.6028000      0.8991000
  1 1 1      32    7    0 o    1.953000      0.5811000       2.191000 0.8676000       1.715000      0.7733000      0.4758000       1.162000
  1 1 1      32    7    1 o    11.28000      0.2850000       11.03000 0.4108000       11.52000      0.3953000     -0.4854000      0.5701000
  1 1 1      32    7    2 o    2.219000      0.6075000       2.534000 0.8993000       1.903000      0.8169000      0.6316000       1.215000
  1 1 1      32    7    3 o    8.342000      0.3049000       8.908000 0.4177000       7.776000      0.4443000       1.132000      0.6099000
  1 1 1      32    7    4 o    1.505000      0.5008000       1.496000 0.7027000       1.514000      0.7138000     -0.1822000E-01   1.002000
  1 1 1      32    7    5 o    1.558000      0.5049000       1.252000 0.6147000       1.865000      0.8012000     -0.6124000       1.010000
  1 1 1      32    7    6 o    3.831000      0.5248000       2.890000 0.8479000       4.773000      0.6188000      -1.883000       1.050000
  1 1 1      32    7    7 o    10.67000      0.2702000       10.84000 0.3781000       10.49000      0.3860000      0.3439000      0.5404000
  1 1 1      32    7    8 o    7.875000      0.2995000       7.935000 0.4113000       7.815000      0.4355000      0.1195000      0.5990000
  1 1 1      32    7    9 o    6.618000      0.5153000       6.694000 0.7597000       6.541000      0.6964000      0.1532000       1.031000
  1 1 1      32    7   10 o    4.926000      0.6172000       4.875000 0.9119000       4.977000      0.8319000     -0.1018000       1.234000
  1 1 1      32    7   11 o    4.544000      0.3999000       4.513000 0.5491000       4.575000      0.5815000     -0.6279000E-01  0.7997000
  1 1 1      32    7   12 f    2.309000      0.6335000       1.998000 0.8200000       2.620000      0.9659000     -0.6215000       1.267000
  1 1 1      32    7   13 o    6.974000      0.3590000       6.943000 0.4786000       7.005000      0.5351000     -0.6113000E-01  0.7179000
  1 1 1      32    7   14 o    2.172000      0.5617000       2.192000 0.7871000       2.152000      0.8015000      0.3979000E-01   1.123000
  1 1 1      32    7   15 o    2.788000      0.5159000       3.357000 0.6522000       2.219000      0.7997000       1.139000       1.032000
  1 1 1      32    7   16 o    4.667000      0.3116000       5.232000 0.4292000       4.103000      0.4519000       1.130000      0.6232000
  1 1 1      32    7   17 o    2.691000      0.5217000       2.959000 0.6963000       2.423000      0.7770000      0.5359000       1.043000
  1 1 1      32    7   18 o    3.480000      0.6417000       3.480000 0.6417000                  ?              ?              ?              ?
  1 1 1      32    8    0 o    3.937000      0.5817000       4.474000 0.7281000       3.400000      0.9073000       1.074000       1.163000
  1 1 1      32    8    1 o    4.063000      0.5655000       4.223000 0.7580000       3.902000      0.8393000      0.3215000       1.131000
  1 1 1      32    8    2 o    8.090000      0.3168000       8.467000 0.4402000       7.712000      0.4556000      0.7546000      0.6336000
  1 1 1      32    8    3 o    15.16000      0.2893000       15.28000 0.4093000       15.05000      0.4089000      0.2330000      0.5785000
  1 1 1      32    8    4 o    2.772000      0.6432000       2.953000 0.9084000       2.592000      0.9109000      0.3610000       1.286000
  1 1 1      32    8    5 o    3.560000      0.5731000       3.320000 0.8369000       3.800000      0.7833000     -0.4804000       1.146000
  1 1 1      32    8    6 o    4.034000      0.5278000       4.360000 0.6963000       3.708000      0.7933000      0.6517000       1.056000
  1 1 1      32    8    7 o    3.987000      0.5260000       4.861000 0.6135000       3.113000      0.8547000       1.747000       1.052000
  1 1 1      32    8    8 o    8.363000      0.2905000       8.171000 0.4101000       8.555000      0.4115000     -0.3845000      0.5809000
  1 1 1      32    8    9 o    10.76000      0.3988000       10.49000 0.5957000       11.04000      0.5305000     -0.5562000      0.7976000
  1 1 1      32    8   10 o    3.442000      0.5279000       3.494000 0.6898000       3.390000      0.7993000      0.1039000       1.056000
  1 1 1      32    8   11 o    4.804000      0.4172000       5.080000 0.5415000       4.527000      0.6347000      0.5532000      0.8343000
  1 1 1      32    8   12 o    2.780000      0.6767000       2.942000 0.9376000       2.618000      0.9760000      0.3245000       1.353000
  1 1 1      32    8   13 o    4.094000      0.4541000       3.506000 0.7173000       4.682000      0.5573000      -1.176000      0.9083000
  1 1 1      32    8   14 o    5.563000      0.3285000       5.521000 0.4551000       5.606000      0.4738000     -0.8510000E-01  0.6570000
  1 1 1      32    8   15 o    5.107000      0.3318000       5.199000 0.4418000       5.015000      0.4952000      0.1842000      0.6636000
  1 1 1      32    8   16 o    3.262000      0.4798000       3.733000 0.5761000       2.792000      0.7673000      0.9411000      0.9595000
  1 1 1      32    8   17 o    2.146000      0.5263000       2.368000 0.7388000       1.925000      0.7498000      0.4432000       1.053000
  1 1 1      32    8   18 o    1.565000      0.4753000       1.520000 0.6541000       1.610000      0.6898000     -0.9030000E-01  0.9506000
  1 1 1      32    9    0 o    8.624000      0.3196000       8.971000 0.4361000       8.277000      0.4673000      0.6939000      0.6391000
  1 1 1      32    9    1 o    3.726000      0.6052000       3.381000 0.8774000       4.072000      0.8338000     -0.6903000       1.210000
  1 1 1      32    9    2 o    3.279000      0.6246000       3.507000 0.8562000       3.052000      0.9095000      0.4550000       1.249000
  1 1 1      32    9    3 o    6.754000      0.3569000       6.998000 0.4799000       6.510000      0.5284000      0.4874000      0.7138000
  1 1 1      32    9    4 o    3.650000      0.5761000       4.427000 0.6936000       2.873000      0.9200000       1.554000       1.152000
  1 1 1      32    9    5 o    5.668000      0.3997000       5.642000 0.5499000       5.694000      0.5802000     -0.5131000E-01  0.7994000
  1 1 1      32    9    6 o    8.808000      0.2995000       9.180000 0.4104000       8.436000      0.4364000      0.7442000      0.5990000
  1 1 1      32    9    7 o    2.478000      0.6334000       2.311000 0.8692000       2.645000      0.9216000     -0.3338000       1.267000
  1 1 1      32    9    8 o    3.110000      0.6032000       2.663000 0.8799000       3.558000      0.8253000     -0.8957000       1.206000
  1 1 1      32    9    9 o    4.530000      0.6939000       4.076000 1.111000       4.984000      0.8318000     -0.9074000       1.388000
  1 1 1      32    9   10 o    8.746000      0.2817000       8.754000 0.3990000       8.739000      0.3978000      0.1548000E-01  0.5635000
  1 1 1      32    9   11 o    7.210000      0.3051000       7.617000 0.4064000       6.803000      0.4551000      0.8139000      0.6101000
  1 1 1      32    9   12 o    4.824000      0.5488000       4.631000 0.7299000       5.016000      0.8198000     -0.3853000       1.098000
  1 1 1      32    9   13 o    5.137000      0.3676000       5.554000 0.4791000       4.721000      0.5578000      0.8333000      0.7353000
  1 1 1      32    9   14 o    8.395000      0.2636000       8.267000 0.3791000       8.523000      0.3663000     -0.2554000      0.5271000
  1 1 1      32    9   15 o    2.041000      0.5505000       1.951000 0.7646000       2.131000      0.7922000     -0.1801000       1.101000
  1 1 1      32    9   16 o    7.756000      0.2506000       7.458000 0.3578000       8.054000      0.3509000     -0.5957000      0.5011000
  1 1 1      32    9   17 o    2.048000      0.5337000       2.077000 0.7508000       2.018000      0.7587000      0.5898000E-01   1.067000
  1 1 1      32    9   18 o    1.664000      0.4896000       1.481000 0.6564000       1.848000      0.7265000     -0.3666000      0.9792000
  1 1 1      32   10    0 o    5.756000      0.4410000       5.384000 0.6453000       6.128000      0.6011000     -0.7434000      0.8819000
  1 1 1      32   10    1 o    3.155000      0.6549000       2.497000 0.9456000       3.814000      0.9062000      -1.317000       1.310000
  1 1 1      32   10    2 o    4.761000      0.5131000       4.534000 0.7407000       4.988000      0.7103000     -0.4547000       1.026000
  1 1 1      32   10    3 o    6.039000      0.4083000       5.848000 0.5844000       6.231000      0.5703000     -0.3835000      0.8165000
  1 1 1      32   10    4 o    4.597000      0.5057000       4.798000 0.6520000       4.395000      0.7731000      0.4030000       1.011000
  1 1 1      32   10    5 o    8.206000      0.3167000       8.305000 0.4349000       8.108000      0.4605000      0.1974000      0.6334000
  1 1 1      32   10    6 o    9.915000      0.2892000       9.744000 0.4040000       10.09000      0.4140000     -0.3423000      0.5785000
  1 1 1      32   10    7 o    2.893000      0.6203000       3.507000 0.8664000       2.279000      0.8880000       1.229000       1.241000
  1 1 1      32   10    8 o    6.012000      0.3863000       6.057000 0.5459000       5.967000      0.5467000      0.8964000E-01  0.7726000
  1 1 1      32   10    9 o    3.145000      0.7352000       4.037000 1.111000       2.252000      0.9636000       1.785000       1.470000
  1 1 1      32   10   10 o    13.85000      0.2741000       13.88000 0.3904000       13.83000      0.3847000      0.4830000E-01  0.5481000
  1 1 1      32   10   11 o    4.969000      0.4149000       4.854000 0.5940000       5.085000      0.5795000     -0.2311000      0.8298000
  1 1 1      32   10   12 o    3.169000      0.6933000       2.649000 0.9381000       3.690000       1.021000      -1.041000       1.387000
  1 1 1      32   10   13 o    7.894000      0.2732000       7.658000 0.3858000       8.129000      0.3869000     -0.4711000      0.5463000
  1 1 1      32   10   14 o    6.059000      0.3102000       5.626000 0.4498000       6.491000      0.4274000     -0.8644000      0.6204000
  1 1 1      32   10   15 o    4.380000      0.3987000       4.229000 0.5476000       4.530000      0.5796000     -0.3015000      0.7974000
  1 1 1      32   10   16 o    5.357000      0.3221000       5.465000 0.4344000       5.250000      0.4756000      0.2149000      0.6441000
  1 1 1      32   10   17 o    2.862000      0.7479000       2.862000 0.7479000                  ?              ?              ?              ?
  1 1 1      32   10   18 o    2.944000      0.4948000       2.877000 0.6947000       3.010000      0.7049000     -0.1331000      0.9896000
  1 1 1      32   10   19 o    2.661000      0.7124000                  ?       ?   2.661000      0.7124000                  ?              ?
  1 1 1      32   11    0 o    4.590000      0.5521000       4.837000 0.7231000       4.344000      0.8345000      0.4930000       1.104000
  1 1 1      32   11    1 o    4.324000      0.5762000       4.636000 0.7309000       4.012000      0.8910000      0.6246000       1.152000
  1 1 1      32   11    2 o    8.134000      0.3373000       8.429000 0.4662000       7.839000      0.4876000      0.5900000      0.6746000
  1 1 1      32   11    3 o    6.573000      0.3853000       6.469000 0.5434000       6.678000      0.5463000     -0.2093000      0.7705000
  1 1 1      32   11    4 o    8.778000      0.3253000       8.444000 0.4681000       9.113000      0.4518000     -0.6690000      0.6505000
  1 1 1      32   11    5 o    4.586000      0.5304000       5.097000 0.6499000       4.074000      0.8385000       1.023000       1.061000
  1 1 1      32   11    6 o    3.600000      0.6086000       3.454000 0.8628000       3.745000      0.8587000     -0.2919000       1.217000
  1 1 1      32   11    7 o    3.657000      0.5934000       3.264000 0.8739000       4.049000      0.8030000     -0.7851000       1.187000
  1 1 1      32   11    8 o    8.893000      0.3079000       8.970000 0.4386000       8.816000      0.4324000      0.1538000      0.6159000
  1 1 1      32   11    9 o    5.725000      0.5893000       5.630000 0.9012000       5.819000      0.7595000     -0.1896000       1.179000
  1 1 1      32   11   10 o    7.817000      0.3210000       8.204000 0.4452000       7.430000      0.4626000      0.7749000      0.6421000
  1 1 1      32   11   11 o    4.182000      0.5101000       4.626000 0.6337000       3.738000      0.7996000      0.8877000       1.020000
  1 1 1      32   11   12 o    4.245000      0.6876000       4.530000 0.8567000       3.961000       1.076000      0.5689000       1.375000
  1 1 1      32   11   13 o    4.852000      0.4013000       5.080000 0.5492000       4.624000      0.5852000      0.4558000      0.8026000
  1 1 1      32   11   14 o    5.448000      0.3449000       5.465000 0.4722000       5.431000      0.5028000      0.3403000E-01  0.6897000
  1 1 1      32   11   15 o    8.217000      0.2637000       8.072000 0.3658000       8.362000      0.3799000     -0.2904000      0.5274000
  1 1 1      32   11   16 o    1.825000      0.5311000       1.776000 0.7378000       1.873000      0.7641000     -0.9650000E-01   1.062000
  1 1 1      32   11   17 o    4.351000      0.5855000       4.351000 0.5855000                  ?              ?              ?              ?
  1 1 1      32   11   18 o    5.725000      0.2923000       5.587000 0.4150000       5.864000      0.4118000     -0.2770000      0.5846000
  1 1 1      32   11   19 o    4.363000      0.4600000                  ?       ?   4.363000      0.4600000                  ?              ?
  1 1 1      32   12    0 o    4.921000      0.5522000       4.361000 0.8619000       5.481000      0.6904000      -1.120000       1.104000
  1 1 1      32   12    1 o    3.113000      0.6636000       2.563000 0.9566000       3.664000      0.9199000      -1.101000       1.327000
  1 1 1      32   12    2 o    7.212000      0.4365000       7.742000 0.6751000       6.681000      0.5535000       1.062000      0.8730000
  1 1 1      32   12    3 o    3.465000      0.6437000       3.553000 0.9142000       3.376000      0.9065000      0.1763000       1.287000
  1 1 1      32   12    4 f    12.26000      0.2933000       12.42000 0.4155000       12.11000      0.4141000      0.3049000      0.5866000
  1 1 1      32   12    5 o    2.782000      0.6557000       2.211000 0.8948000       3.353000      0.9587000      -1.142000       1.311000
  1 1 1      32   12    6 o    4.892000      0.4738000       5.331000 0.6068000       4.453000      0.7278000      0.8781000      0.9475000
  1 1 1      32   12    7 o    8.062000      0.3302000       7.674000 0.4745000       8.450000      0.4592000     -0.7762000      0.6603000
  1 1 1      32   12    8 o    8.225000      0.3208000       8.678000 0.4463000       7.772000      0.4608000      0.9060000      0.6416000
  1 1 1      32   12    9 o    6.635000      0.4961000       6.836000 0.7465000       6.434000      0.6537000      0.4017000      0.9922000
  1 1 1      32   12   10 o    3.398000      0.5601000       2.277000 0.8954000       4.519000      0.6732000      -2.241000       1.120000
  1 1 1      32   12   11 o    8.705000      0.2899000       8.885000 0.4062000       8.525000      0.4137000      0.3592000      0.5798000
  1 1 1      32   12   12 o    3.038000      0.7564000       2.896000 1.044000       3.180000       1.095000     -0.2836000       1.513000
  1 1 1      32   12   13 o    5.344000      0.3883000       5.440000 0.5315000       5.248000      0.5662000      0.1921000      0.7766000
  1 1 1      32   12   14 o    7.499000      0.2917000       7.417000 0.4140000       7.581000      0.4111000     -0.1642000      0.5835000
  1 1 1      32   12   15 o    5.791000      0.3376000       5.960000 0.4609000       5.622000      0.4934000      0.3377000      0.6752000
  1 1 1      32   12   16 o    2.895000      0.5455000       3.397000 0.7098000       2.394000      0.8286000       1.002000       1.091000
  1 1 1      32   12   17 o    2.444000      0.5489000       3.077000 0.7909000       1.812000      0.7613000       1.265000       1.098000
  1 1 1      32   12   18 o    4.001000      0.4221000       3.716000 0.6609000       4.285000      0.5254000     -0.5693000      0.8443000
  1 1 1      32   12   19 o    3.575000      0.4335000       3.566000 0.6195000       3.584000      0.6066000     -0.1831000E-01  0.8671000
  1 1 1      32   13    0 o    6.036000      0.4428000       6.086000 0.6239000       5.987000      0.6286000      0.9842000E-01  0.8857000
  1 1 1      32   13    1 o    5.463000      0.4648000       4.944000 0.7134000       5.981000      0.5961000      -1.037000      0.9297000
  1 1 1      32   13    2 o    7.493000      0.3670000       6.889000 0.5577000       8.096000      0.4773000      -1.207000      0.7341000
  1 1 1      32   13    3 o    1.559000      0.5228000       1.540000 0.7339000       1.579000      0.7448000     -0.3881000E-01   1.046000
  1 1 1      32   13    4 o    9.609000      0.3102000       9.883000 0.4330000       9.336000      0.4442000      0.5463000      0.6203000
  1 1 1      32   13    5 o    4.060000      0.5717000       3.638000 0.8687000       4.481000      0.7434000     -0.8430000       1.143000
  1 1 1      32   13    6 o    3.704000      0.6091000       3.163000 0.9498000       4.245000      0.7630000      -1.083000       1.218000
  1 1 1      32   13    7 o    8.983000      0.3050000       9.264000 0.4285000       8.701000      0.4341000      0.5632000      0.6100000
  1 1 1      32   13    8 o    4.147000      0.5474000       4.462000 0.7301000       3.831000      0.8157000      0.6309000       1.095000
  1 1 1      32   13    9 o    3.005000      0.7184000       3.755000 1.081000       2.256000      0.9463000       1.499000       1.437000
  1 1 1      32   13   10 o    5.362000      0.6176000       5.181000 0.9616000       5.544000      0.7752000     -0.3625000       1.235000
  1 1 1      32   13   11 o    8.584000      0.2970000       8.824000 0.4235000       8.345000      0.4164000      0.4795000      0.5939000
  1 1 1      32   13   12 o    2.682000      0.7244000       2.593000 1.005000       2.771000       1.043000     -0.1784000       1.449000
  1 1 1      32   13   13 o    5.276000      0.5922000       5.640000 0.7239000       4.912000      0.9376000      0.7276000       1.184000
  1 1 1      32   13   14 o    3.560000      0.5332000       3.528000 0.7792000       3.591000      0.7280000     -0.6360000E-01   1.066000
  1 1 1      32   13   15 o    2.863000      0.5592000       2.176000 0.8355000       3.549000      0.7434000      -1.373000       1.118000
  1 1 1      32   13   16 o    2.993000      0.5420000       3.439000 0.7275000       2.548000      0.8036000      0.8916000       1.084000
  1 1 1      32   13   17 o    4.241000      0.4148000       4.303000 0.6017000       4.180000      0.5711000      0.1236000      0.8295000
  1 1 1      32   13   18 o    2.720000      0.5658000       2.828000 0.8195000       2.613000      0.7803000      0.2154000       1.132000
  1 1 1      32   13   19 o    3.838000      0.4201000       3.286000 0.6796000       4.389000      0.4939000      -1.102000      0.8401000
  1 1 1      32   14    0 o    11.52000      0.3038000       11.37000 0.4390000       11.66000      0.4201000     -0.2848000      0.6077000
  1 1 1      32   14    1 o    4.114000      0.5969000       4.384000 0.8040000       3.845000      0.8824000      0.5394000       1.194000
  1 1 1      32   14    2 o    9.204000      0.3213000       9.201000 0.4612000       9.206000      0.4475000     -0.5419000E-02  0.6427000
  1 1 1      32   14    3 o    2.340000      0.6312000       2.732000 0.9414000       1.947000      0.8409000      0.7853000       1.262000
  1 1 1      32   14    4 o    9.389000      0.3119000       9.100000 0.4531000       9.678000      0.4288000     -0.5778000      0.6238000
  1 1 1      32   14    5 o    7.167000      0.3600000       6.509000 0.5462000       7.825000      0.4691000      -1.316000      0.7200000
  1 1 1      32   14    6 o    10.89000      0.2857000       11.05000 0.4075000       10.74000      0.4005000      0.3101000      0.5713000
  1 1 1      32   14    7 o    12.41000      0.2836000       12.28000 0.4044000       12.54000      0.3977000     -0.2524000      0.5672000
  1 1 1      32   14    8 f    2.605000      0.6225000       3.209000 0.9168000       2.001000      0.8423000       1.209000       1.245000
  1 1 1      32   14    9 o    2.101000      0.6348000       1.949000 0.8451000       2.253000      0.9474000     -0.3034000       1.270000
  1 1 1      32   14   10 o    3.857000      0.7213000       3.506000 1.103000       4.208000      0.9294000     -0.7025000       1.443000
  1 1 1      32   14   11 o    4.877000      0.4546000       5.153000 0.6271000       4.601000      0.6583000      0.5518000      0.9092000
  1 1 1      32   14   12 o    4.370000      0.4955000       4.445000 0.7135000       4.296000      0.6877000      0.1492000      0.9909000
  1 1 1      32   14   13 o    2.305000      0.6779000       1.825000 0.8510000       2.784000       1.055000     -0.9593000       1.356000
  1 1 1      32   14   14 o    1.800000      0.5485000       2.106000 0.8471000       1.494000      0.6970000      0.6126000       1.097000
  1 1 1      32   14   15 o    2.068000      0.5660000       1.800000 0.7827000       2.336000      0.8180000     -0.5360000       1.132000
  1 1 1      32   14   16 o    2.978000      0.5677000       3.240000 0.7955000       2.716000      0.8101000      0.5240000       1.135000
  1 1 1      32   14   17 f    5.466000      0.3371000       5.703000 0.4795000       5.229000      0.4739000      0.4738000      0.6742000
  1 1 1      32   14   18 o    2.217000      0.8119000       2.217000 0.8119000                  ?              ?              ?              ?
  1 1 1      32   14   19 o    3.939000      0.4239000       4.076000 0.5925000       3.802000      0.6065000      0.2740000      0.8479000
  1 1 1      32   15    0 o    4.257000      0.5822000       4.639000 0.7837000       3.874000      0.8610000      0.7657000       1.164000
  1 1 1      32   15    1 o    12.90000      0.2960000       13.26000 0.4249000       12.54000      0.4122000      0.7245000      0.5920000
  1 1 1      32   15    2 o    2.867000      0.6739000       2.581000 0.9627000       3.154000      0.9432000     -0.5731000       1.348000
  1 1 1      32   15    3 f    8.324000      0.3279000       8.166000 0.4751000       8.483000      0.4520000     -0.3171000      0.6558000
  1 1 1      32   15    4 o    12.03000      0.2939000       12.12000 0.4211000       11.94000      0.4101000      0.1751000      0.5879000
  1 1 1      32   15    5 o    8.828000      0.3147000       9.040000 0.4424000       8.616000      0.4476000      0.4245000      0.6293000
  1 1 1      32   15    6 o    12.99000      0.2891000       12.94000 0.4137000       13.05000      0.4038000     -0.1073000      0.5782000
  1 1 1      32   15    7 o    4.522000      0.5321000       5.726000 0.6010000       3.319000      0.8782000       2.407000       1.064000
  1 1 1      32   15    8 o    9.864000      0.2955000       9.943000 0.4253000       9.785000      0.4104000      0.1574000      0.5910000
  1 1 1      32   15    9 f    4.902000      0.4813000       4.632000 0.7503000       5.172000      0.6029000     -0.5398000      0.9625000
  1 1 1      32   15   10 o    2.580000      0.6464000       1.768000 0.8585000       3.391000      0.9666000      -1.622000       1.293000
  1 1 1      32   15   11 o    2.189000      0.5939000       1.966000 0.8356000       2.413000      0.8443000     -0.4471000       1.188000
  1 1 1      32   15   12 o    5.738000      0.3917000       6.155000 0.5499000       5.321000      0.5581000      0.8341000      0.7835000
  1 1 1      32   15   13 o    4.239000      0.7104000       3.477000 1.050000       5.001000      0.9574000      -1.524000       1.421000
  1 1 1      32   15   14 o    3.118000      0.6823000       4.038000 0.9663000       2.198000      0.9634000       1.839000       1.365000
  1 1 1      32   15   15 o    5.541000      0.3612000       5.691000 0.5206000       5.392000      0.5009000      0.2990000      0.7224000
  1 1 1      32   15   16 o    5.351000      0.3667000       5.337000 0.5352000       5.365000      0.5016000     -0.2848000E-01  0.7335000
  1 1 1      32   15   17 o    5.595000      0.3345000       5.616000 0.4892000       5.574000      0.4562000      0.4268000E-01  0.6689000
  1 1 1      32   15   18 o    1.510000      0.6989000       1.510000 0.6989000                  ?              ?              ?              ?
  1 1 1      32   15   19 o    2.017000      0.5525000       1.992000 0.7945000       2.043000      0.7681000     -0.5024000E-01   1.105000
  1 1 1      32   16    0 o    4.182000      0.6040000       4.411000 0.8535000       3.953000      0.8548000      0.4579000       1.208000
  1 1 1      32   16    1 o    4.616000      0.5640000       3.993000 0.9284000       5.240000      0.6409000      -1.247000       1.128000
  1 1 1      32   16    2 o    7.136000      0.3836000       6.663000 0.5839000       7.610000      0.4976000     -0.9474000      0.7672000
  1 1 1      32   16    3 f    3.571000      0.6473000       3.665000 0.9319000       3.477000      0.8986000      0.1873000       1.295000
  1 1 1      32   16    4 o    4.009000      0.5948000       2.901000 0.9795000       5.116000      0.6750000      -2.215000       1.190000
  1 1 1      32   16    5 o    2.867000      0.6604000       2.492000 0.9533000       3.242000      0.9142000     -0.7501000       1.321000
  1 1 1      32   16    6 o    2.736000      0.6481000       2.282000 0.9142000       3.190000      0.9190000     -0.9086000       1.296000
  1 1 1      32   16    7 o    9.589000      0.3042000       9.922000 0.4354000       9.256000      0.4250000      0.6660000      0.6085000
  1 1 1      32   16    8 o    7.884000      0.3313000       7.741000 0.4897000       8.027000      0.4464000     -0.2858000      0.6626000
  1 1 1      32   16    9 o    3.184000      0.6453000       3.239000 0.9518000       3.129000      0.8717000      0.1103000       1.291000
  1 1 1      32   16   10 o    3.171000      0.6707000       3.057000 0.9316000       3.284000      0.9652000     -0.2268000       1.341000
  1 1 1      32   16   11 f    3.780000      0.7432000       3.749000 1.160000       3.811000      0.9298000     -0.6246000E-01   1.486000
  1 1 1      32   16   12 o    6.025000      0.3708000       6.272000 0.5378000       5.778000      0.5105000      0.4937000      0.7416000
  1 1 1      32   16   13 o    6.985000      0.3331000       6.523000 0.5036000       7.446000      0.4361000     -0.9228000      0.6662000
  1 1 1      32   16   14 o    3.469000      0.7628000       3.846000 1.045000       3.092000       1.112000      0.7539000       1.526000
  1 1 1      32   16   15 o    2.098000      0.5791000       1.834000 0.7980000       2.363000      0.8396000     -0.5289000       1.158000
  1 1 1      32   16   16 o    2.094000      0.5746000       1.846000 0.7962000       2.342000      0.8286000     -0.4962000       1.149000
  1 1 1      32   16   17 o    2.199000      0.5848000       2.304000 0.8521000       2.094000      0.8012000      0.2102000       1.170000
  1 1 1      32   16   18 o    1.909000      0.5387000       2.209000 0.8402000       1.609000      0.6743000      0.5993000       1.077000
  1 1 1      32   16   19 f    5.271000      0.3541000       5.121000 0.5359000       5.421000      0.4630000     -0.2996000      0.7082000
  1 1 1      32   17    0 o    4.248000      0.5945000       3.733000 0.9506000       4.763000      0.7143000      -1.029000       1.189000
  1 1 1      32   17    1 o    6.900000      0.3926000       7.033000 0.5581000       6.768000      0.5523000      0.2648000      0.7852000
  1 1 1      32   17    2 o    8.180000      0.3504000       8.525000 0.4994000       7.835000      0.4917000      0.6897000      0.7009000
  1 1 1      32   17    3 o    2.594000      0.6798000       2.684000 0.9782000       2.504000      0.9441000      0.1795000       1.360000
  1 1 1      32   17    4 o    6.814000      0.3838000       6.767000 0.5743000       6.861000      0.5094000     -0.9475000E-01  0.7676000
  1 1 1      32   17    5 o    4.624000      0.5433000       4.548000 0.8302000       4.700000      0.7009000     -0.1521000       1.087000
  1 1 1      32   17    6 o    2.066000      0.6195000       1.977000 0.8782000       2.154000      0.8742000     -0.1772000       1.239000
  1 1 1      32   17    7 o    2.603000      0.6593000       2.933000 0.9729000       2.274000      0.8901000      0.6592000       1.319000
  1 1 1      32   17    8 o    9.283000      0.3120000       9.060000 0.4628000       9.506000      0.4187000     -0.4455000      0.6241000
  1 1 1      32   17    9 o    5.587000      0.4320000       5.596000 0.6485000       5.579000      0.5710000      0.1722000E-01  0.8641000
  1 1 1      32   17   10 o    4.958000      0.4724000       5.096000 0.6736000       4.820000      0.6624000      0.2770000      0.9447000
  1 1 1      32   17   11 o    3.707000      0.6449000       5.292000 0.9319000       2.122000      0.8916000       3.170000       1.290000
  1 1 1      32   17   12 o    3.185000      0.6485000       2.278000 0.9955000       4.093000      0.8316000      -1.814000       1.297000
  1 1 1      32   17   13 f    3.011000      0.6003000       3.660000 0.8324000       2.362000      0.8653000       1.298000       1.201000
  1 1 1      32   17   14 o    3.743000      0.5301000       3.958000 0.7225000       3.528000      0.7759000      0.4296000       1.060000
  1 1 1      32   17   15 o    7.405000      0.4694000       7.816000 0.6207000       6.995000      0.7042000      0.8217000      0.9387000
  1 1 1      32   17   16 f    5.109000      0.3909000       5.450000 0.5605000       4.768000      0.5449000      0.6818000      0.7817000
  1 1 1      32   17   17 o    1.912000      0.5395000       1.544000 0.7200000       2.279000      0.8036000     -0.7350000       1.079000
  1 1 1      32   17   18 o    1.633000      0.5175000       1.676000 0.7497000       1.590000      0.7135000      0.8689000E-01   1.035000
  1 1 1      32   17   19 f    4.171000      0.4337000       4.556000 0.5938000       3.787000      0.6323000      0.7691000      0.8674000
  1 1 1      32   18    0 o    4.796000      0.5577000       5.147000 0.7565000       4.446000      0.8195000      0.7006000       1.115000
  1 1 1      32   18    1 o    7.822000      0.3789000       7.274000 0.5916000       8.370000      0.4735000      -1.095000      0.7578000
  1 1 1      32   18    2 o    3.734000      0.6261000       4.830000 0.8062000       2.638000      0.9580000       2.192000       1.252000
  1 1 1      32   18    3 f    5.674000      0.4605000       5.584000 0.7042000       5.764000      0.5937000     -0.1793000      0.9211000
  1 1 1      32   18    4 o    10.21000      0.3123000       10.19000 0.4537000       10.23000      0.4292000     -0.3966000E-01  0.6245000
  1 1 1      32   18    5 o    2.233000      0.6507000       2.131000 0.9169000       2.336000      0.9234000     -0.2051000       1.301000
  1 1 1      32   18    6 o    7.512000      0.3680000       7.102000 0.5595000       7.921000      0.4782000     -0.8185000      0.7360000
  1 1 1      32   18    7 o    6.875000      0.3761000       7.360000 0.5319000       6.389000      0.5320000      0.9703000      0.7523000
  1 1 1      32   18    8 o    8.322000      0.3273000       8.552000 0.4721000       8.091000      0.4535000      0.4617000      0.6546000
  1 1 1      32   18    9 o    2.574000      0.6585000       2.890000 0.9690000       2.259000      0.8919000      0.6305000       1.317000
  1 1 1      32   18   10 o    2.280000      0.6339000       2.488000 0.9309000       2.071000      0.8607000      0.4177000       1.268000
  1 1 1      32   18   11 o    2.747000      0.5987000       1.973000 0.8552000       3.521000      0.8380000      -1.548000       1.197000
  1 1 1      32   18   12 o    2.856000      0.6793000       2.186000 0.9827000       3.526000      0.9382000      -1.340000       1.359000
  1 1 1      32   18   13 o    2.428000      0.6918000       2.607000 1.042000       2.249000      0.9103000      0.3582000       1.384000
  1 1 1      32   18   14 o    3.988000      0.5271000       3.650000 0.8248000       4.326000      0.6565000     -0.6756000       1.054000
  1 1 1      32   18   15 o    9.443000      0.2699000       8.999000 0.3937000       9.888000      0.3693000     -0.8887000      0.5398000
  1 1 1      32   18   16 o    5.548000      0.5437000       5.860000 0.7185000       5.236000      0.8163000      0.6245000       1.087000
  1 1 1      32   18   17 o    3.389000      0.5625000       3.465000 0.8283000       3.313000      0.7613000      0.1529000       1.125000
  1 1 1      32   18   18 o    2.981000      0.5690000       2.862000 0.8578000       3.100000      0.7478000     -0.2379000       1.138000
  1 1 1      32   18   19 o    2.373000      0.5977000       2.462000 0.8830000       2.283000      0.8059000      0.1787000       1.195000
  1 1 1      32   19    0 o    5.594000      0.4866000       5.624000 0.7331000       5.564000      0.6402000      0.6061000E-01  0.9733000
  1 1 1      32   19    1 o    5.013000      0.5343000       5.202000 0.7708000       4.825000      0.7401000      0.3771000       1.069000
  1 1 1      32   19    2 o    7.292000      0.3889000       7.032000 0.5807000       7.552000      0.5175000     -0.5206000      0.7779000
  1 1 1      32   19    3 o    7.307000      0.3768000       7.355000 0.5478000       7.259000      0.5176000      0.9574000E-01  0.7537000
  1 1 1      32   19    4 o    7.261000      0.3777000       7.592000 0.5505000       6.930000      0.5172000      0.6614000      0.7554000
  1 1 1      32   19    5 o    4.082000      0.6313000       3.722000 1.009000       4.442000      0.7585000     -0.7195000       1.263000
  1 1 1      32   19    6 o    8.413000      0.3492000       8.433000 0.5187000       8.393000      0.4675000      0.4067000E-01  0.6983000
  1 1 1      32   19    7 o    4.468000      0.5826000       4.692000 0.8218000       4.244000      0.8260000      0.4486000       1.165000
  1 1 1      32   19    8 o    3.111000      0.6608000       3.271000 0.9508000       2.951000      0.9178000      0.3197000       1.322000
  1 1 1      32   19    9 o    5.088000      0.4626000       5.076000 0.6749000       5.100000      0.6328000     -0.2399000E-01  0.9252000
  1 1 1      32   19   10 o    3.775000      0.5858000       3.065000 0.9492000       4.485000      0.6867000      -1.421000       1.172000
  1 1 1      32   19   11 o    2.286000      0.6281000       2.122000 0.8958000       2.450000      0.8806000     -0.3281000       1.256000
  1 1 1      32   19   12 o    4.061000      0.5406000       4.427000 0.7571000       3.695000      0.7717000      0.7319000       1.081000
  1 1 1      32   19   13 o    2.581000      0.7116000       3.025000 1.107000       2.137000      0.8938000      0.8876000       1.423000
  1 1 1      32   19   14 o    4.025000      0.6738000       4.185000 1.032000       3.866000      0.8665000      0.3189000       1.348000
  1 1 1      32   19   15 o    6.032000      0.3496000       6.191000 0.5201000       5.873000      0.4673000      0.3180000      0.6992000
  1 1 1      32   19   16 o    3.312000      0.5634000       3.145000 0.8775000       3.478000      0.7070000     -0.3333000       1.127000
  1 1 1      32   19   17 o    2.861000      0.6931000       2.163000 0.9370000       3.560000       1.022000      -1.397000       1.386000
  1 1 1      32   19   18 o    3.470000      0.7004000       3.173000 1.040000       3.767000      0.9388000     -0.5940000       1.401000
  1 1 1      32   20    0 o    2.968000      0.7209000       2.972000 1.061000       2.964000      0.9763000      0.8374000E-02   1.442000
  1 1 1      32   20    1 o    3.585000      0.6993000       3.237000 1.059000       3.932000      0.9134000     -0.6950000       1.399000
  1 1 1      32   20    2 o    6.896000      0.4132000       6.781000 0.6241000       7.011000      0.5416000     -0.2300000      0.8263000
  1 1 1      32   20    3 o    3.839000      0.6626000       4.273000 0.9253000       3.405000      0.9486000      0.8684000       1.325000
  1 1 1      32   20    4 o    1.819000      0.5877000       2.131000 0.9276000       1.508000      0.7220000      0.6237000       1.175000
  1 1 1      32   20    5 o    1.796000      0.5823000       1.710000 0.8103000       1.882000      0.8364000     -0.1727000       1.165000
  1 1 1      32   20    6 o    4.138000      0.6040000       3.698000 0.9605000       4.577000      0.7326000     -0.8786000       1.208000
  1 1 1      32   20    7 o    3.221000      0.6567000       2.851000 0.9891000       3.592000      0.8640000     -0.7408000       1.313000
  1 1 1      32   20    8 o    3.981000      0.5941000       3.792000 0.9149000       4.169000      0.7580000     -0.3773000       1.188000
  1 1 1      32   20    9 o    4.556000      0.5343000       3.939000 0.8653000       5.174000      0.6272000      -1.235000       1.069000
  1 1 1      32   20   10 o    2.616000      0.5989000       1.923000 0.8516000       3.309000      0.8423000      -1.386000       1.198000
  1 1 1      32   20   11 o    3.841000      0.5743000       3.635000 0.9069000       4.047000      0.7048000     -0.4121000       1.149000
  1 1 1      32   20   12 o    3.314000      0.5941000       2.992000 0.9332000       3.635000      0.7357000     -0.6432000       1.188000
  1 1 1      32   20   13 o    2.788000      0.5591000       1.988000 0.8465000       3.588000      0.7306000      -1.600000       1.118000
  1 1 1      32   20   14 o    2.843000      0.6802000       3.919000 1.091000       1.766000      0.8132000       2.153000       1.360000
  1 1 1      32   20   15 o    4.491000      0.6287000       4.880000 0.9809000       4.101000      0.7867000      0.7785000       1.257000
  1 1 1      32   20   16 o    1.869000      0.5473000       1.615000 0.7398000       2.124000      0.8066000     -0.5084000       1.095000
  1 1 1      32   20   17 o    2.456000      0.5818000       2.015000 0.8383000       2.897000      0.8070000     -0.8823000       1.164000
  1 1 1      32   20   18 o    3.542000      0.6503000       4.626000 0.8621000       2.459000      0.9739000       2.167000       1.301000
  1 1 1      32   21    0 o    2.988000      0.7900000       2.994000 0.9841000       2.981000       1.236000      0.1302000E-01   1.580000
  1 1 1      32   21    1 o    5.651000      0.5061000       6.316000 0.6751000       4.986000      0.7543000       1.330000       1.012000
  1 1 1      32   21    2 o    12.58000      0.3146000       12.55000 0.4595000       12.61000      0.4300000     -0.5493000E-01  0.6293000
  1 1 1      32   21    3 o    3.750000      0.6726000       3.639000 1.012000       3.861000      0.8860000     -0.2218000       1.345000
  1 1 1      32   21    4 f    4.514000      0.6072000       3.837000 1.003000       5.191000      0.6852000      -1.354000       1.214000
  1 1 1      32   21    5 o    3.894000      0.6135000       3.124000 1.010000       4.664000      0.6973000      -1.540000       1.227000
  1 1 1      32   21    6 o    6.825000      0.3862000       6.923000 0.5721000       6.728000      0.5189000      0.1951000      0.7723000
  1 1 1      32   21    7 o    6.523000      0.3917000       6.701000 0.5661000       6.345000      0.5416000      0.3565000      0.7835000
  1 1 1      32   21    8 o    2.837000      0.6489000       3.166000 0.9384000       2.508000      0.8965000      0.6578000       1.298000
  1 1 1      32   21    9 o    2.889000      0.6483000       2.520000 0.9648000       3.258000      0.8663000     -0.7379000       1.297000
  1 1 1      32   21   10 o    1.763000      0.5564000       2.148000 0.8914000       1.378000      0.6661000      0.7699000       1.113000
  1 1 1      32   21   11 o    3.242000      0.6043000       2.569000 0.9444000       3.915000      0.7541000      -1.347000       1.209000
  1 1 1      32   21   12 o    2.785000      0.6457000       3.013000 0.9392000       2.558000      0.8864000      0.4549000       1.291000
  1 1 1      32   21   13 o    4.596000      0.4876000       4.557000 0.7289000       4.634000      0.6479000     -0.7710000E-01  0.9752000
  1 1 1      32   21   14 o    1.992000      0.5898000       2.014000 0.8575000       1.970000      0.8099000      0.4362000E-01   1.180000
  1 1 1      32   21   15 o    3.810000      0.5586000       2.941000 0.9399000       4.680000      0.6038000      -1.739000       1.117000
  1 1 1      32   21   16 o    4.028000      0.6780000       3.432000 1.158000       4.624000      0.7047000      -1.191000       1.356000
  1 1 1      32   21   17 o    8.712000      0.3836000       8.741000 0.5851000       8.684000      0.4963000      0.5762000E-01  0.7672000
  1 1 1      32   21   18 o    4.381000      0.6789000       4.289000 0.9832000       4.472000      0.9364000     -0.1822000       1.358000
  1 1 1      32   22    0 o    4.471000      0.8775000       4.176000 1.210000       4.766000       1.271000     -0.5905000       1.755000
  1 1 1      32   22    1 o    10.31000      0.4398000       10.21000 0.4708000       10.42000      0.7430000     -0.2102000      0.8796000
  1 1 1      32   22    2 o    7.865000      0.3834000       7.410000 0.5920000       8.320000      0.4872000     -0.9105000      0.7668000
  1 1 1      32   22    3 o    2.187000      0.6414000       2.002000 0.8872000       2.373000      0.9266000     -0.3713000       1.283000
  1 1 1      32   22    4 o    6.187000      0.4295000       6.106000 0.6408000       6.268000      0.5720000     -0.1618000      0.8590000
  1 1 1      32   22    5 o    4.997000      0.5165000       4.788000 0.8107000       5.207000      0.6400000     -0.4187000       1.033000
  1 1 1      32   22    6 f    7.650000      0.3517000       7.873000 0.5117000       7.427000      0.4827000      0.4462000      0.7035000
  1 1 1      32   22    7 o    4.414000      0.5460000       3.940000 0.8805000       4.889000      0.6458000     -0.9495000       1.092000
  1 1 1      32   22    8 o    2.483000      0.6539000       2.153000 0.9204000       2.814000      0.9290000     -0.6605000       1.308000
  1 1 1      32   22    9 o    4.035000      0.5775000       3.841000 0.9049000       4.229000      0.7179000     -0.3881000       1.155000
  1 1 1      32   22   10 o    3.021000      0.6538000       3.279000 0.9567000       2.762000      0.8913000      0.5167000       1.308000
  1 1 1      32   22   11 o    2.635000      0.6449000       2.651000 0.9483000       2.619000      0.8744000      0.3176000E-01   1.290000
  1 1 1      32   22   12 o    1.996000      0.5895000       1.884000 0.8349000       2.108000      0.8324000     -0.2242000       1.179000
  1 1 1      32   22   13 o    2.271000      0.6053000       1.897000 0.8383000       2.645000      0.8734000     -0.7480000       1.211000
  1 1 1      32   22   14 o    3.183000      0.6143000       2.880000 0.9396000       3.485000      0.7915000     -0.6052000       1.229000
  1 1 1      32   22   15 f    4.241000      0.5115000       4.076000 0.8144000       4.405000      0.6189000     -0.3296000       1.023000
  1 1 1      32   22   16 f    2.233000      0.6018000       1.980000 0.8578000       2.487000      0.8444000     -0.5068000       1.204000
  1 1 1      32   22   17 o    7.492000      0.4307000       7.653000 0.6539000       7.331000      0.5606000      0.3215000      0.8614000
  1 1 1      32   23    0 o    5.165000      0.5534000       5.278000 0.7901000       5.052000      0.7752000      0.2256000       1.107000
  1 1 1      32   23    1 o    6.999000      0.6466000       7.925000 0.7084000       6.073000       1.082000       1.852000       1.293000
  1 1 1      32   23    2 o    3.339000      0.7764000       2.229000 0.9214000       4.449000       1.250000      -2.220000       1.553000
  1 1 1      32   23    3 o    2.975000      0.6562000       2.454000 0.9761000       3.496000      0.8772000      -1.042000       1.312000
  1 1 1      32   23    4 o    3.756000      0.6520000       3.374000 1.020000       4.138000      0.8124000     -0.7638000       1.304000
  1 1 1      32   23    5 o    3.124000      0.6854000       3.571000 0.9958000       2.678000      0.9421000      0.8939000       1.371000
  1 1 1      32   23    6 o    8.393000      0.3497000       8.513000 0.5236000       8.273000      0.4638000      0.2401000      0.6995000
  1 1 1      32   23    7 o    5.182000      0.4869000       5.120000 0.7595000       5.243000      0.6097000     -0.1228000      0.9739000
  1 1 1      32   23    8 o    4.303000      0.5719000       4.140000 0.9204000       4.466000      0.6790000     -0.3261000       1.144000
  1 1 1      32   23    9 o    6.870000      0.3712000       6.931000 0.5731000       6.809000      0.4719000      0.1223000      0.7424000
  1 1 1      32   23   10 o    2.257000      0.6245000       2.019000 0.8816000       2.496000      0.8846000     -0.4771000       1.249000
  1 1 1      32   23   11 o    2.166000      0.6263000       2.195000 0.9083000       2.136000      0.8625000      0.5886000E-01   1.253000
  1 1 1      32   23   12 o    2.909000      0.6430000       3.263000 0.9403000       2.556000      0.8773000      0.7073000       1.286000
  1 1 1      32   23   13 o    2.735000      0.6068000       3.464000 0.8920000       2.005000      0.8228000       1.459000       1.214000
  1 1 1      32   23   14 o    2.693000      0.6405000       2.546000 0.9366000       2.839000      0.8739000     -0.2931000       1.281000
  1 1 1      32   23   15 o    2.124000      0.6032000       2.214000 0.8897000       2.035000      0.8146000      0.1786000       1.206000
  1 1 1      32   23   16 o    3.099000      0.6034000       2.499000 0.9266000       3.700000      0.7732000      -1.201000       1.207000
  1 1 1      32   24    0 o    2.218000      0.6518000       2.445000 0.9769000       1.991000      0.8631000      0.4537000       1.304000
  1 1 1      32   24    1 f    3.057000      0.5978000       1.876000 0.8620000       4.237000      0.8284000      -2.361000       1.196000
  1 1 1      32   24    2 o    4.935000      0.7879000       5.307000 0.9433000       4.564000       1.262000      0.7428000       1.576000
  1 1 1      32   24    3 o    5.447000      0.7506000       5.381000 1.008000       5.513000       1.112000     -0.1319000       1.501000
  1 1 1      32   24    4 o    3.551000      0.6541000       2.925000 1.049000       4.177000      0.7814000      -1.252000       1.308000
  1 1 1      32   24    5 o    2.248000      0.6612000       2.453000 1.004000       2.043000      0.8603000      0.4099000       1.322000
  1 1 1      32   24    6 o    5.960000      0.4510000       6.059000 0.6885000       5.861000      0.5828000      0.1979000      0.9020000
  1 1 1      32   24    7 o    6.936000      0.3984000       6.355000 0.6440000       7.517000      0.4692000      -1.161000      0.7968000
  1 1 1      32   24    8 o    7.415000      0.3584000       7.279000 0.5562000       7.550000      0.4522000     -0.2709000      0.7169000
  1 1 1      32   24    9 o    6.005000      0.4163000       5.970000 0.6513000       6.041000      0.5186000     -0.7074000E-01  0.8326000
  1 1 1      32   24   10 o    3.305000      0.6667000       3.515000 0.9960000       3.095000      0.8866000      0.4195000       1.333000
  1 1 1      32   24   11 o    4.375000      0.5362000       4.517000 0.8077000       4.233000      0.7055000      0.2839000       1.072000
  1 1 1      32   24   12 o    2.385000      0.6329000       2.800000 0.9643000       1.970000      0.8200000      0.8305000       1.266000
  1 1 1      32   24   13 o    2.828000      0.5917000       3.855000 0.8847000       1.801000      0.7859000       2.054000       1.183000
  1 1 1      32   24   14 o    2.073000      0.6008000       1.808000 0.8164000       2.338000      0.8817000     -0.5299000       1.202000
  1 1 1      32   24   15 o    2.346000      0.6299000       2.245000 0.8921000       2.448000      0.8896000     -0.2023000       1.260000
  1 1 1      32   24   16 o    2.827000      0.7582000       3.397000 1.150000       2.256000      0.9884000       1.141000       1.516000
  1 1 1      32   25    0 o    3.652000      0.7000000       2.466000 1.111000       4.837000      0.8515000      -2.371000       1.400000
  1 1 1      32   25    1 o    4.187000      0.6577000       4.700000 0.9259000       3.674000      0.9343000       1.026000       1.315000
  1 1 1      32   25    2 o    3.846000      0.6648000       3.235000 1.081000       4.458000      0.7742000      -1.223000       1.330000
  1 1 1      32   25    3 o    3.717000      0.8654000       3.121000 1.189000       4.314000       1.258000      -1.193000       1.731000
  1 1 1      32   25    4 o    5.086000      0.7363000       5.106000 1.028000       5.066000       1.055000      0.3954000E-01   1.473000
  1 1 1      32   25    5 o    2.807000      0.6624000       2.214000 0.9553000       3.400000      0.9178000      -1.185000       1.325000
  1 1 1      32   25    6 o    2.325000      0.6594000       2.220000 0.9521000       2.429000      0.9125000     -0.2087000       1.319000
  1 1 1      32   25    7 o    5.556000      0.4767000       5.615000 0.7371000       5.497000      0.6048000      0.1185000      0.9535000
  1 1 1      32   25    8 o    2.649000      0.6424000       3.455000 1.001000       1.844000      0.8047000       1.611000       1.285000
  1 1 1      32   25    9 o    1.966000      0.5969000       2.455000 0.9623000       1.476000      0.7066000      0.9791000       1.194000
  1 1 1      32   25   10 o    5.728000      0.4274000       5.674000 0.6525000       5.783000      0.5521000     -0.1092000      0.8548000
  1 1 1      32   25   11 o    2.099000      0.6217000       2.138000 0.9097000       2.061000      0.8475000      0.7695000E-01   1.243000
  1 1 1      32   25   12 o    1.869000      0.5758000       1.890000 0.8442000       1.848000      0.7832000      0.4193000E-01   1.152000
  1 1 1      32   25   13 o    2.416000      0.6361000       2.532000 0.9398000       2.299000      0.8575000      0.2332000       1.272000
  1 1 1      32   25   14 f    1.620000      0.5293000       1.477000 0.7104000       1.763000      0.7847000     -0.2861000       1.059000
  1 1 1      32   25   15 o    1.901000      0.5894000       2.187000 0.9139000       1.614000      0.7446000      0.5726000       1.179000
  1 1 1      32   26    0 o    5.108000      0.5711000       4.698000 0.9459000       5.518000      0.6403000     -0.8193000       1.142000
  1 1 1      32   26    1 o    2.999000      0.8132000       2.928000 1.200000       3.069000       1.098000     -0.1409000       1.626000
  1 1 1      32   26    2 o    3.083000      0.7821000       3.387000 1.269000       2.780000      0.9145000      0.6073000       1.564000
  1 1 1      32   26    3 o    3.075000      0.6790000       2.677000 1.033000       3.473000      0.8820000     -0.7965000       1.358000
  1 1 1      32   26    4 o    5.083000      0.5422000       4.874000 0.8515000       5.292000      0.6715000     -0.4179000       1.084000
  1 1 1      32   26    5 o    3.169000      0.7878000       4.220000 1.232000       2.118000      0.9823000       2.102000       1.576000
  1 1 1      32   26    6 o    3.678000      0.8728000       3.414000 1.245000       3.942000       1.224000     -0.5289000       1.746000
  1 1 1      32   26    7 o    1.809000      0.5857000       1.881000 0.8610000       1.737000      0.7942000      0.1441000       1.171000
  1 1 1      32   26    8 o    3.282000      0.6674000       3.832000 0.9496000       2.732000      0.9380000       1.099000       1.335000
  1 1 1      32   26    9 o    1.805000      0.5796000       2.043000 0.8969000       1.566000      0.7343000      0.4773000       1.159000
  1 1 1      32   26   10 o    5.339000      0.4657000       4.926000 0.7618000       5.751000      0.5358000     -0.8250000      0.9314000
  1 1 1      32   26   11 o    2.467000      0.6607000       2.579000 0.9704000       2.356000      0.8970000      0.2233000       1.321000
  1 1 1      32   26   12 o    3.724000      0.5992000       3.032000 0.9642000       4.416000      0.7116000      -1.384000       1.198000
  1 1 1      32   26   13 o    2.322000      0.6480000       2.374000 0.9466000       2.269000      0.8852000      0.1050000       1.296000
  1 1 1      32   26   14 o    2.394000      0.6514000       2.263000 0.9259000       2.525000      0.9167000     -0.2613000       1.303000
  1 1 1      32   27    0 o    3.601000      0.6888000       3.367000 1.054000       3.836000      0.8867000     -0.4688000       1.378000
  1 1 1      32   27    1 o    3.229000      0.6434000       2.501000 1.011000       3.958000      0.7967000      -1.457000       1.287000
  1 1 1      32   27    2 o    8.356000      0.4862000       8.970000 0.7775000       7.741000      0.5841000       1.228000      0.9724000
  1 1 1      32   27    3 o    6.656000      0.6142000       6.969000 0.9580000       6.343000      0.7690000      0.6263000       1.228000
  1 1 1      32   27    4 f    2.123000      0.6389000       2.335000 0.9702000       1.911000      0.8316000      0.4241000       1.278000
  1 1 1      32   27    5 o    2.594000      0.6907000       2.970000 1.044000       2.217000      0.9045000      0.7531000       1.381000
  1 1 1      32   27    6 o    2.706000      0.7229000       3.667000 1.213000       1.744000      0.7866000       1.923000       1.446000
  1 1 1      32   27    7 o    2.833000      0.7029000       3.951000 1.129000       1.716000      0.8379000       2.235000       1.406000
  1 1 1      32   27    8 o    2.587000      0.7174000       2.757000 0.9638000       2.416000       1.063000      0.3403000       1.435000
  1 1 1      32   27    9 o    3.724000      0.5848000       2.377000 0.9688000       5.072000      0.6554000      -2.695000       1.170000
  1 1 1      32   27   10 o    4.770000      0.5177000       5.225000 0.7210000       4.315000      0.7432000      0.9106000       1.035000
  1 1 1      32   27   11 o    6.039000      0.4236000       5.990000 0.6431000       6.089000      0.5516000     -0.9970000E-01  0.8472000
  1 1 1      32   27   12 o    4.629000      0.5469000       4.376000 0.8345000       4.882000      0.7072000     -0.5061000       1.094000
  1 1 1      32   27   13 o    3.584000       1.147000                  ?       ?   3.584000       1.147000                  ?              ?
  1 1 1      32   28    0 o    6.696000      0.4329000       6.764000 0.6419000       6.628000      0.5809000      0.1356000      0.8657000
  1 1 1      32   28    1 o    4.231000      0.6418000       3.152000 1.062000       5.310000      0.7216000      -2.158000       1.284000
  1 1 1      32   28    2 o    6.732000      0.4326000       6.380000 0.6499000       7.084000      0.5711000     -0.7037000      0.8652000
  1 1 1      32   28    3 o    3.115000      0.6383000       2.154000 0.9209000       4.076000      0.8840000      -1.922000       1.277000
  1 1 1      32   28    4 o    3.196000      0.8007000       3.393000 1.183000       3.000000       1.080000      0.3938000       1.601000
  1 1 1      32   28    5 o    2.788000      0.7318000       2.079000 0.9848000       3.496000       1.083000      -1.417000       1.464000
  1 1 1      32   28    6 o    1.939000      0.6061000       2.061000 0.9042000       1.817000      0.8075000      0.2434000       1.212000
  1 1 1      32   28    7 o    2.818000      0.6592000       3.679000 1.021000       1.957000      0.8339000       1.722000       1.318000
  1 1 1      32   28    8 o    4.210000      0.6622000       3.484000 1.160000       4.935000      0.6388000      -1.452000       1.324000
  1 1 1      32   28    9 o    4.431000      0.7793000       5.426000 0.9641000       3.435000       1.225000       1.991000       1.559000
  1 1 1      32   28   10 o    2.970000      0.8143000       3.040000 1.162000       2.900000       1.141000      0.1403000       1.629000
  1 1 1      32   28   11 o    4.709000      0.5426000       5.098000 0.7760000       4.320000      0.7586000      0.7779000       1.085000
  1 1 1      32   29    0 o    2.241000      0.6568000       2.759000 1.051000       1.723000      0.7886000       1.036000       1.314000
  1 1 1      32   29    1 o    2.751000      0.7153000       2.673000 1.046000       2.828000      0.9763000     -0.1542000       1.431000
  1 1 1      32   29    2 o    3.401000      0.6960000       2.974000 1.047000       3.828000      0.9169000     -0.8533000       1.392000
  1 1 1      32   29    3 o    4.141000      0.6132000       2.981000 1.034000       5.302000      0.6601000      -2.321000       1.226000
  1 1 1      32   29    4 o    3.845000      0.6551000       3.323000 1.050000       4.367000      0.7838000      -1.044000       1.310000
  1 1 1      32   29    5 o    2.064000      0.6386000       2.301000 0.9711000       1.827000      0.8294000      0.4734000       1.277000
  1 1 1      32   29    6 o    3.844000      0.8316000       4.498000 1.297000       3.190000       1.041000       1.308000       1.663000
  1 1 1      32   29    7 o    4.134000      0.8031000       4.956000 1.180000       3.312000       1.089000       1.643000       1.606000
  1 1 1      32   29    8 o    4.857000      0.5746000       4.185000 0.9590000       5.530000      0.6332000      -1.346000       1.149000
  1 1 1      32   29    9 o    2.231000      0.6528000       2.262000 0.9588000       2.199000      0.8863000      0.6292000E-01   1.306000
  1 1 1      32   30    0 o    2.225000      0.6483000       2.071000 0.9050000       2.379000      0.9286000     -0.3076000       1.297000
  1 1 1      32   30    1 o    2.778000      0.7105000       2.802000 1.044000       2.754000      0.9642000      0.4830000E-01   1.421000
  1 1 1      32   30    2 o    2.922000      0.7152000       3.136000 1.059000       2.709000      0.9616000      0.4272000       1.430000
  1 1 1      32   30    3 o    3.034000      0.6379000       2.144000 0.9294000       3.925000      0.8739000      -1.781000       1.276000
  1 1 1      32   30    4 o    2.779000      0.6683000       3.808000 1.067000       1.750000      0.8049000       2.058000       1.337000
  1 1 1      32   30    5 o    5.148000      0.5317000       5.103000 0.8250000       5.193000      0.6709000     -0.9041000E-01   1.063000
  1 1 1      32   30    6 o    2.729000      0.6666000       2.266000 0.9547000       3.193000      0.9305000     -0.9275000       1.333000
  1 1 1      32   30    7 o    2.537000      0.7791000       2.988000 1.205000       2.087000      0.9876000      0.9006000       1.558000
  1 1 1      32   31    0 o    2.573000      0.7408000       2.987000 1.069000       2.159000       1.026000      0.8277000       1.482000
  1 1 1      32   31    1 o    4.072000      0.8515000       5.225000 1.216000       2.920000       1.192000       2.305000       1.703000
  1 1 1      32   31    2 o    2.688000       1.146000                  ?       ?   2.688000       1.146000                  ?              ?
  1 1 1      32   31    3 o    2.796000       1.206000                  ?       ?   2.796000       1.206000                  ?              ?
  1 1 1      33   -1    0 o    4.044000      0.7230000       4.479000 1.018000       3.608000       1.027000      0.8715000       1.446000
  1 1 1      33   -1    1 o    4.435000      0.5119000       4.365000 0.7274000       4.504000      0.7203000     -0.1390000       1.024000
  1 1 1      33   -1    2 o    4.418000      0.9425000       4.418000 0.9425000                  ?              ?              ?              ?
  1 1 1      33    0    0 o    6.790000      0.3365000       6.231000 0.5372000       7.349000      0.4053000      -1.118000      0.6730000
  1 1 1      33    0    1 o    7.769000      0.4025000       7.076000 0.6967000       8.462000      0.4032000      -1.387000      0.8050000
  1 1 1      33    0    2 o    4.581000      0.6550000       3.313000 1.084000       5.850000      0.7354000      -2.537000       1.310000
  1 1 1      33    0    3 o    4.279000      0.4660000       4.124000 0.7034000       4.434000      0.6115000     -0.3092000      0.9320000
  1 1 1      33    0    4 o    2.926000      0.6005000       3.022000 0.8532000       2.829000      0.8452000      0.1925000       1.201000
  1 1 1      33    0    5 o    3.011000      0.5949000       2.861000 0.8606000       3.161000      0.8217000     -0.3002000       1.190000
  1 1 1      33    0    6 o    3.156000      0.5690000       3.218000 0.8300000       3.094000      0.7785000      0.1239000       1.138000
  1 1 1      33    1    0 o    5.794000      0.5209000       5.572000 0.9078000       6.016000      0.5113000     -0.4447000       1.042000
  1 1 1      33    1    1 o    3.718000      0.6937000       3.643000 0.9928000       3.793000      0.9690000     -0.1498000       1.387000
  1 1 1      33    1    2 o    4.462000      0.6331000       3.839000 1.011000       5.086000      0.7628000      -1.247000       1.266000
  1 1 1      33    1    3 o    2.859000      0.6079000       2.899000 0.8866000       2.820000      0.8319000      0.7846000E-01   1.216000
  1 1 1      33    1    4 o    2.476000      0.5962000       2.973000 0.8665000       1.979000      0.8191000      0.9936000       1.192000
  1 1 1      33    1    5 o    2.768000      0.6045000       2.810000 0.8767000       2.727000      0.8324000      0.8290000E-01   1.209000
  1 1 1      33    1    6 o    3.324000      0.5673000       3.005000 0.8764000       3.644000      0.7205000     -0.6389000       1.135000
  1 1 1      33    1    7 o    4.718000      0.4355000       4.525000 0.6622000       4.911000      0.5657000     -0.3852000      0.8709000
  1 1 1      33    1    8 o    1.766000      0.5359000       1.745000 0.7638000       1.787000      0.7521000     -0.4137000E-01   1.072000
  1 1 1      33    1    9 o    2.690000       1.019000       2.690000 1.019000                  ?              ?              ?              ?
  1 1 1      33    2    0 o    4.647000      0.5192000       4.797000 0.8320000       4.497000      0.6213000      0.3008000       1.038000
  1 1 1      33    2    1 o    4.637000      0.5780000       5.061000 0.7032000       4.213000      0.9175000      0.8488000       1.156000
  1 1 1      33    2    2 o    8.794000      0.2862000       8.461000 0.4155000       9.128000      0.3938000     -0.6678000      0.5725000
  1 1 1      33    2    3 o    1.686000      0.5242000       1.629000 0.7154000       1.742000      0.7663000     -0.1126000       1.048000
  1 1 1      33    2    4 o    2.113000      0.6345000       2.163000 0.9712000       2.062000      0.8166000      0.1009000       1.269000
  1 1 1      33    2    5 o    1.794000      0.5420000       1.709000 0.7644000       1.878000      0.7686000     -0.1698000       1.084000
  1 1 1      33    2    6 o    3.485000      0.5458000       4.001000 0.7441000       2.970000      0.7987000       1.031000       1.092000
  1 1 1      33    2    7 o    2.672000      0.4823000       3.875000 0.6934000       1.468000      0.6707000       2.407000      0.9647000
  1 1 1      33    2    8 o    2.180000      0.5350000       2.939000 0.8378000       1.421000      0.6656000       1.519000       1.070000
  1 1 1      33    2    9 o    4.699000      0.3910000       5.084000 0.5513000       4.314000      0.5546000      0.7700000      0.7820000
  1 1 1      33    2   10 o    4.739000      0.4024000       4.839000 0.5743000       4.639000      0.5639000      0.2007000      0.8049000
  1 1 1      33    3    0 o    6.653000      0.4524000       6.900000 0.6497000       6.406000      0.6299000      0.4941000      0.9049000
  1 1 1      33    3    1 o    5.790000      0.3673000       5.777000 0.5234000       5.803000      0.5154000     -0.2631000E-01  0.7346000
  1 1 1      33    3    2 o    8.806000      0.2966000       8.448000 0.4227000       9.164000      0.4162000     -0.7163000      0.5932000
  1 1 1      33    3    3 o    2.560000      0.5871000       3.011000 0.8238000       2.110000      0.8368000      0.9010000       1.174000
  1 1 1      33    3    4 o    2.345000      0.5994000       2.224000 0.8437000       2.466000      0.8515000     -0.2423000       1.199000
  1 1 1      33    3    5 o    4.875000      0.3905000       5.145000 0.5395000       4.605000      0.5647000      0.5398000      0.7810000
  1 1 1      33    3    6 f    3.655000      0.5294000       3.862000 0.7097000       3.448000      0.7857000      0.4139000       1.059000
  1 1 1      33    3    7 o    2.970000      0.5423000       3.149000 0.7248000       2.790000      0.8069000      0.3592000       1.085000
  1 1 1      33    3    8 o    4.044000      0.6090000       4.106000 1.011000       3.982000      0.6785000      0.1239000       1.218000
  1 1 1      33    3    9 o    3.925000      0.5058000       2.890000 0.8544000       4.960000      0.5416000      -2.070000       1.012000
  1 1 1      33    3   10 o    5.810000      0.3574000       4.927000 0.5679000       6.693000      0.4340000      -1.766000      0.7148000
  1 1 1      33    3   11 o    2.773000      0.5254000       2.113000 0.8063000       3.432000      0.6739000      -1.319000       1.051000
  1 1 1      33    3   12 o    1.852000      0.8380000       1.852000 0.8380000                  ?              ?              ?              ?
  1 1 1      33    4    0 o    2.895000      0.6844000       2.256000 0.8952000       3.534000       1.036000      -1.277000       1.369000
  1 1 1      33    4    1 o    3.560000      0.5702000       2.824000 0.8798000       4.297000      0.7255000      -1.474000       1.140000
  1 1 1      33    4    2 o    5.087000      0.4162000       5.641000 0.5225000       4.532000      0.6480000       1.109000      0.8324000
  1 1 1      33    4    3 o    2.541000      0.6093000       2.233000 0.8423000       2.849000      0.8807000     -0.6157000       1.219000
  1 1 1      33    4    4 o    2.767000      0.6054000       3.035000 0.8515000       2.499000      0.8608000      0.5363000       1.211000
  1 1 1      33    4    5 o    3.029000      0.5313000       1.994000 0.8159000       4.063000      0.6807000      -2.069000       1.063000
  1 1 1      33    4    6 o    3.153000      0.5537000       3.630000 0.7245000       2.676000      0.8375000      0.9546000       1.107000
  1 1 1      33    4    7 o    3.122000      0.5669000       2.976000 0.8096000       3.267000      0.7937000     -0.2913000       1.134000
  1 1 1      33    4    8 o    2.093000      0.5731000       1.875000 0.7800000       2.311000      0.8400000     -0.4360000       1.146000
  1 1 1      33    4    9 o    3.182000      0.5404000       3.214000 0.7499000       3.150000      0.7783000      0.6443000E-01   1.081000
  1 1 1      33    4   10 o    5.389000      0.3537000       5.638000 0.4588000       5.140000      0.5384000      0.4975000      0.7074000
  1 1 1      33    4   11 o    2.600000      0.6420000       2.584000 1.001000       2.617000      0.8044000     -0.3365000E-01   1.284000
  1 1 1      33    4   12 o    3.735000      0.6787000       4.099000 0.9246000       3.371000      0.9939000      0.7272000       1.357000
  1 1 1      33    4   13 o    2.736000      0.5301000       3.209000 0.7309000       2.262000      0.7681000      0.9468000       1.060000
  1 1 1      33    5    0 o    3.735000      0.5569000       4.825000 0.6486000       2.645000      0.9055000       2.181000       1.114000
  1 1 1      33    5    1 f    2.656000      0.6224000       2.601000 0.8762000       2.710000      0.8841000     -0.1097000       1.245000
  1 1 1      33    5    2 o    3.903000      0.5176000       3.826000 0.7377000       3.981000      0.7262000     -0.1552000       1.035000
  1 1 1      33    5    3 o    2.913000      0.5854000       3.474000 0.7859000       2.352000      0.8678000       1.122000       1.171000
  1 1 1      33    5    4 o    2.093000      0.5885000       2.235000 0.8418000       1.951000      0.8227000      0.2841000       1.177000
  1 1 1      33    5    5 o    4.153000      0.5106000       3.184000 0.8395000       5.122000      0.5814000      -1.938000       1.021000
  1 1 1      33    5    6 o    2.720000      0.5862000       2.168000 0.8189000       3.272000      0.8391000      -1.104000       1.172000
  1 1 1      33    5    7 o    1.951000      0.5616000       1.583000 0.7100000       2.319000      0.8704000     -0.7359000       1.123000
  1 1 1      33    5    8 o    1.766000      0.5199000       2.132000 0.7985000       1.400000      0.6660000      0.7320000       1.040000
  1 1 1      33    5    9 o    3.189000      0.5567000       3.408000 0.7463000       2.971000      0.8261000      0.4370000       1.113000
  1 1 1      33    5   10 f    2.456000      0.5775000       2.249000 0.7991000       2.663000      0.8340000     -0.4147000       1.155000
  1 1 1      33    5   11 o    3.022000      0.5553000       3.067000 0.7805000       2.976000      0.7902000      0.9085000E-01   1.111000
  1 1 1      33    5   12 o    5.052000      0.5700000       5.322000 0.7785000       4.781000      0.8328000      0.5419000       1.140000
  1 1 1      33    5   13 o    6.165000      0.3028000       6.446000 0.3984000       5.885000      0.4561000      0.5618000      0.6056000
  1 1 1      33    5   14 o    4.242000      0.7204000                  ?       ?   4.242000      0.7204000                  ?              ?
  1 1 1      33    6    0 o    3.497000      0.6066000       2.999000 0.9137000       3.995000      0.7981000     -0.9952000       1.213000
  1 1 1      33    6    1 o    3.580000      0.5968000       3.448000 0.8561000       3.712000      0.8318000     -0.2642000       1.194000
  1 1 1      33    6    2 o    4.847000      0.4518000       5.182000 0.5893000       4.512000      0.6849000      0.6693000      0.9035000
  1 1 1      33    6    3 o    2.536000      0.6162000       2.159000 0.8533000       2.912000      0.8892000     -0.7522000       1.232000
  1 1 1      33    6    4 o    6.660000      0.3428000       6.723000 0.4793000       6.596000      0.4902000      0.1266000      0.6856000
  1 1 1      33    6    5 o    6.092000      0.3601000       6.154000 0.5095000       6.030000      0.5090000      0.1246000      0.7202000
  1 1 1      33    6    6 o    2.127000      0.5720000       1.646000 0.7297000       2.607000      0.8810000     -0.9606000       1.144000
  1 1 1      33    6    7 o    2.293000      0.5887000       2.406000 0.8135000       2.180000      0.8512000      0.2261000       1.177000
  1 1 1      33    6    8 o    2.326000      0.5570000       2.932000 0.8121000       1.720000      0.7627000       1.212000       1.114000
  1 1 1      33    6    9 o    4.315000      0.4485000       4.421000 0.5943000       4.209000      0.6717000      0.2118000      0.8969000
  1 1 1      33    6   10 o    2.510000      0.5937000       2.743000 0.8217000       2.278000      0.8570000      0.4646000       1.187000
  1 1 1      33    6   11 o    3.808000      0.6992000       4.695000 0.9512000       2.922000       1.025000       1.772000       1.398000
  1 1 1      33    6   12 o    3.724000      0.6142000       4.442000 0.9351000       3.006000      0.7966000       1.436000       1.228000
  1 1 1      33    6   13 o    5.753000      0.3171000       5.674000 0.4422000       5.832000      0.4545000     -0.1579000      0.6341000
  1 1 1      33    6   14 o    2.829000      0.6264000       2.343000 0.8711000       3.314000      0.9003000     -0.9706000       1.253000
  1 1 1      33    7    0 o    3.807000      0.5728000       3.123000 0.8866000       4.490000      0.7253000      -1.367000       1.146000
  1 1 1      33    7    1 o    4.923000      0.4723000       4.339000 0.7433000       5.507000      0.5829000      -1.168000      0.9446000
  1 1 1      33    7    2 o    3.012000      0.6187000       2.630000 0.8954000       3.395000      0.8542000     -0.7644000       1.237000
  1 1 1      33    7    3 o    5.866000      0.3848000       6.118000 0.5222000       5.615000      0.5654000      0.5027000      0.7697000
  1 1 1      33    7    4 o    9.340000      0.2889000       9.414000 0.4037000       9.265000      0.4135000      0.1493000      0.5779000
  1 1 1      33    7    5 o    2.214000      0.6061000       2.233000 0.8482000       2.196000      0.8660000      0.3774000E-01   1.212000
  1 1 1      33    7    6 o    3.675000      0.5521000       3.238000 0.8250000       4.112000      0.7340000     -0.8739000       1.104000
  1 1 1      33    7    7 o    3.596000      0.5485000       3.538000 0.7700000       3.654000      0.7814000     -0.1165000       1.097000
  1 1 1      33    7    8 o    1.769000      0.5402000       1.960000 0.8006000       1.577000      0.7253000      0.3829000       1.080000
  1 1 1      33    7    9 o    1.392000      0.4641000       1.121000 0.5565000       1.664000      0.7430000     -0.5437000      0.9283000
  1 1 1      33    7   10 o    3.609000      0.5220000       3.625000 0.7077000       3.592000      0.7676000      0.3268000E-01   1.044000
  1 1 1      33    7   11 o    4.085000      0.7053000       4.018000 1.027000       4.152000      0.9669000     -0.1349000       1.411000
  1 1 1      33    7   12 o    4.451000      0.4086000       3.965000 0.6112000       4.937000      0.5423000     -0.9725000      0.8171000
  1 1 1      33    7   13 o    1.788000      0.5339000       1.880000 0.7620000       1.695000      0.7479000      0.1844000       1.068000
  1 1 1      33    7   14 f    1.430000      0.4793000       1.621000 0.7353000       1.240000      0.6152000      0.3801000      0.9587000
  1 1 1      33    7   15 o    3.768000      0.4405000       3.857000 0.5891000       3.680000      0.6551000      0.1769000      0.8810000
  1 1 1      33    8    0 o    9.729000      0.3051000       9.655000 0.4300000       9.804000      0.4328000     -0.1490000      0.6101000
  1 1 1      33    8    1 o    7.669000      0.3337000       7.583000 0.4734000       7.755000      0.4704000     -0.1716000      0.6673000
  1 1 1      33    8    2 o    4.131000      0.5405000       5.443000 0.5771000       2.820000      0.9142000       2.623000       1.081000
  1 1 1      33    8    3 o    4.149000      0.5339000       4.288000 0.7177000       4.010000      0.7907000      0.2782000       1.068000
  1 1 1      33    8    4 o    5.363000      0.4074000       5.087000 0.5967000       5.639000      0.5548000     -0.5522000      0.8148000
  1 1 1      33    8    5 o    3.067000      0.5829000       3.732000 0.7509000       2.403000      0.8919000       1.329000       1.166000
  1 1 1      33    8    6 o    7.858000      0.3057000       7.463000 0.4370000       8.252000      0.4275000     -0.7882000      0.6113000
  1 1 1      33    8    7 o    2.888000      0.5931000       2.382000 0.8619000       3.395000      0.8149000      -1.013000       1.186000
  1 1 1      33    8    8 o    2.262000      0.5740000       2.724000 0.8394000       1.801000      0.7832000      0.9222000       1.148000
  1 1 1      33    8    9 o    2.536000      0.5448000       3.420000 0.7922000       1.652000      0.7480000       1.769000       1.090000
  1 1 1      33    8   10 o    4.657000      0.5382000       4.383000 0.6427000       4.932000      0.8634000     -0.5493000       1.076000
  1 1 1      33    8   11 o    3.320000      0.7390000       2.721000 1.060000       3.920000       1.030000      -1.198000       1.478000
  1 1 1      33    8   12 o    2.374000      0.5914000       2.214000 0.8183000       2.533000      0.8541000     -0.3192000       1.183000
  1 1 1      33    8   13 o    2.265000      0.6099000       2.607000 0.8786000       1.923000      0.8462000      0.6835000       1.220000
  1 1 1      33    8   14 o    2.129000      0.5950000       2.618000 0.9207000       1.641000      0.7539000      0.9771000       1.190000
  1 1 1      33    8   15 o    1.693000      0.5049000       1.416000 0.6547000       1.970000      0.7688000     -0.5536000       1.010000
  1 1 1      33    8   16 o    2.334000      0.5514000       2.231000 0.7534000       2.438000      0.8054000     -0.2068000       1.103000
  1 1 1      33    9    0 o    7.419000      0.3498000       7.019000 0.4967000       7.819000      0.4926000     -0.7996000      0.6996000
  1 1 1      33    9    1 o    6.386000      0.3772000       6.516000 0.5195000       6.256000      0.5471000      0.2601000      0.7544000
  1 1 1      33    9    2 o    6.610000      0.3585000       6.847000 0.4849000       6.372000      0.5282000      0.4748000      0.7170000
  1 1 1      33    9    3 o    2.970000      0.6168000       3.443000 0.8394000       2.498000      0.9041000      0.9443000       1.234000
  1 1 1      33    9    4 o    3.875000      0.5535000       4.103000 0.7289000       3.648000      0.8332000      0.4549000       1.107000
  1 1 1      33    9    5 o    2.012000      0.5906000       2.111000 0.8491000       1.913000      0.8212000      0.1981000       1.181000
  1 1 1      33    9    6 o    4.332000      0.4904000       4.066000 0.7018000       4.598000      0.6851000     -0.5314000      0.9808000
  1 1 1      33    9    7 o    2.949000      0.6157000       3.273000 0.8518000       2.626000      0.8892000      0.6471000       1.231000
  1 1 1      33    9    8 f    5.797000      0.3716000       5.440000 0.5342000       6.155000      0.5168000     -0.7144000      0.7432000
  1 1 1      33    9    9 o    4.830000      0.4498000       3.825000 0.7336000       5.836000      0.5207000      -2.010000      0.8996000
  1 1 1      33    9   10 o    4.531000      0.6905000       4.853000 0.9527000       4.209000      0.9997000      0.6438000       1.381000
  1 1 1      33    9   11 o    4.736000      0.6576000       4.358000 1.048000       5.115000      0.7942000     -0.7564000       1.315000
  1 1 1      33    9   12 o    7.887000      0.2836000       8.008000 0.3922000       7.767000      0.4098000      0.2414000      0.5673000
  1 1 1      33    9   13 o    2.401000      0.6573000       2.217000 0.8801000       2.585000      0.9764000     -0.3683000       1.315000
  1 1 1      33    9   14 o    2.597000      0.6583000       2.706000 0.9372000       2.489000      0.9247000      0.2176000       1.317000
  1 1 1      33    9   15 o    3.431000      0.4878000       2.825000 0.7748000       4.036000      0.5927000      -1.211000      0.9755000
  1 1 1      33    9   16 o    4.794000      0.3392000       4.890000 0.4818000       4.698000      0.4775000      0.1922000      0.6784000
  1 1 1      33   10    0 o    3.750000      0.6559000       3.761000 0.9196000       3.738000      0.9356000      0.2240000E-01   1.312000
  1 1 1      33   10    1 o    6.091000      0.4206000       6.597000 0.5717000       5.586000      0.6172000       1.011000      0.8412000
  1 1 1      33   10    2 o    5.990000      0.4100000       5.720000 0.6095000       6.259000      0.5485000     -0.5385000      0.8199000
  1 1 1      33   10    3 o    2.449000      0.6519000       2.533000 0.9331000       2.365000      0.9106000      0.1677000       1.304000
  1 1 1      33   10    4 o    5.635000      0.4168000       5.515000 0.6020000       5.756000      0.5765000     -0.2407000      0.8335000
  1 1 1      33   10    5 o    2.735000      0.6255000       2.149000 0.8612000       3.322000      0.9074000      -1.173000       1.251000
  1 1 1      33   10    6 o    3.054000      0.5881000       3.874000 0.7874000       2.233000      0.8737000       1.641000       1.176000
  1 1 1      33   10    7 o    6.493000      0.3696000       7.252000 0.4583000       5.734000      0.5800000       1.519000      0.7392000
  1 1 1      33   10    8 o    9.516000      0.2889000       9.684000 0.4026000       9.348000      0.4143000      0.3360000      0.5777000
  1 1 1      33   10    9 o    3.617000      0.5583000       3.343000 0.8168000       3.891000      0.7613000     -0.5485000       1.117000
  1 1 1      33   10   10 o    3.435000      0.7789000       3.716000 1.166000       3.155000       1.033000      0.5618000       1.558000
  1 1 1      33   10   11 o    4.932000      0.6541000       4.327000 1.071000       5.537000      0.7517000      -1.210000       1.308000
  1 1 1      33   10   12 o    5.709000      0.3508000       5.653000 0.4938000       5.765000      0.4985000     -0.1115000      0.7017000
  1 1 1      33   10   13 f    6.790000      0.4164000       6.949000 0.5490000       6.630000      0.6263000      0.3189000      0.8328000
  1 1 1      33   10   14 o    2.463000      0.5783000       3.031000 0.7895000       1.896000      0.8453000       1.135000       1.157000
  1 1 1      33   10   15 o    6.154000      0.3012000       5.827000 0.4388000       6.480000      0.4128000     -0.6529000      0.6024000
  1 1 1      33   10   16 o    2.206000      0.7720000       2.206000 0.7720000                  ?              ?              ?              ?
  1 1 1      33   10   17 o    3.035000      0.6045000       2.173000 0.9105000       3.897000      0.7954000      -1.723000       1.209000
  1 1 1      33   11    0 o    3.409000      0.6362000       4.244000 0.8347000       2.573000      0.9602000       1.671000       1.272000
  1 1 1      33   11    1 o    6.316000      0.4146000       6.156000 0.6045000       6.475000      0.5676000     -0.3185000      0.8292000
  1 1 1      33   11    2 o    5.076000      0.5075000       5.136000 0.7308000       5.016000      0.7045000      0.1205000       1.015000
  1 1 1      33   11    3 o    8.609000      0.3297000       8.399000 0.4763000       8.820000      0.4559000     -0.4204000      0.6593000
  1 1 1      33   11    4 o    5.354000      0.4533000       5.117000 0.6458000       5.592000      0.6363000     -0.4751000      0.9066000
  1 1 1      33   11    5 o    6.934000      0.3696000       7.240000 0.4957000       6.628000      0.5483000      0.6123000      0.7392000
  1 1 1      33   11    6 o    3.328000      0.6389000       3.790000 0.8622000       2.866000      0.9432000      0.9237000       1.278000
  1 1 1      33   11    7 o    6.792000      0.3565000       6.662000 0.5130000       6.922000      0.4950000     -0.2592000      0.7129000
  1 1 1      33   11    8 o    4.802000      0.4855000       4.742000 0.6880000       4.863000      0.6854000     -0.1211000      0.9711000
  1 1 1      33   11    9 o    2.256000      0.5921000       2.905000 0.9201000       1.607000      0.7454000       1.298000       1.184000
  1 1 1      33   11   10 o    2.947000      0.7021000       4.014000 1.099000       1.880000      0.8742000       2.134000       1.404000
  1 1 1      33   11   11 o    6.442000      0.4860000       6.672000 0.6926000       6.211000      0.6819000      0.4615000      0.9719000
  1 1 1      33   11   12 o    3.934000      0.4978000       4.237000 0.6426000       3.631000      0.7604000      0.6056000      0.9956000
  1 1 1      33   11   13 o    7.309000      0.4166000       7.780000 0.5226000       6.838000      0.6490000      0.9419000      0.8333000
  1 1 1      33   11   14 o    2.007000      0.5982000       1.493000 0.7219000       2.520000      0.9539000      -1.027000       1.196000
  1 1 1      33   11   15 o    2.583000      0.5801000       2.617000 0.8241000       2.549000      0.8167000      0.6750000E-01   1.160000
  1 1 1      33   11   16 o    4.769000      0.4246000       3.981000 0.6086000       5.556000      0.5923000      -1.575000      0.8492000
  1 1 1      33   11   17 o    2.951000      0.5176000       2.455000 0.7744000       3.447000      0.6871000     -0.9915000       1.035000
  1 1 1      33   12    0 o    4.929000      0.5397000       5.135000 0.7523000       4.723000      0.7741000      0.4117000       1.079000
  1 1 1      33   12    1 o    4.006000      0.6240000       4.860000 0.7683000       3.152000      0.9834000       1.709000       1.248000
  1 1 1      33   12    2 o    15.31000      0.3072000       15.13000 0.4369000       15.48000      0.4318000     -0.3498000      0.6143000
  1 1 1      33   12    3 o    11.72000      0.3062000       11.32000 0.4355000       12.12000      0.4305000     -0.7917000      0.6123000
  1 1 1      33   12    4 o    2.210000      0.6404000       2.057000 0.8778000       2.363000      0.9326000     -0.3059000       1.281000
  1 1 1      33   12    5 o    6.629000      0.3893000       6.418000 0.5610000       6.839000      0.5400000     -0.4209000      0.7787000
  1 1 1      33   12    6 o    4.764000      0.5270000       5.246000 0.6559000       4.282000      0.8251000      0.9641000       1.054000
  1 1 1      33   12    7 o    5.042000      0.4707000       5.344000 0.6395000       4.741000      0.6908000      0.6027000      0.9413000
  1 1 1      33   12    8 o    2.541000      0.6160000       1.833000 0.8127000       3.250000      0.9260000      -1.417000       1.232000
  1 1 1      33   12    9 o    2.387000      0.6246000       1.959000 0.8438000       2.814000      0.9212000     -0.8553000       1.249000
  1 1 1      33   12   10 o    3.151000      0.7260000       4.020000 1.080000       2.281000      0.9700000       1.739000       1.452000
  1 1 1      33   12   11 o    3.209000      0.7366000       3.226000 1.045000       3.192000       1.039000      0.3376000E-01   1.473000
  1 1 1      33   12   12 o    2.843000      0.6003000       2.577000 0.8520000       3.109000      0.8458000     -0.5319000       1.201000
  1 1 1      33   12   13 o    4.104000      0.6824000       4.221000 0.9024000       3.987000       1.024000      0.2338000       1.365000
  1 1 1      33   12   14 o    2.928000      0.7136000       2.809000 0.9777000       3.047000       1.040000     -0.2378000       1.427000
  1 1 1      33   12   15 o    3.492000      0.5364000       3.139000 0.8068000       3.844000      0.7071000     -0.7043000       1.073000
  1 1 1      33   12   16 f    2.479000      0.5849000       2.502000 0.8252000       2.457000      0.8292000      0.4497000E-01   1.170000
  1 1 1      33   12   17 o    5.124000      0.3580000       4.849000 0.5395000       5.400000      0.4706000     -0.5505000      0.7159000
  1 1 1      33   13    0 o    9.290000      0.3340000       9.249000 0.4813000       9.331000      0.4633000     -0.8184000E-01  0.6681000
  1 1 1      33   13    1 o    8.785000      0.3482000       8.232000 0.5083000       9.337000      0.4760000      -1.105000      0.6964000
  1 1 1      33   13    2 o    13.22000      0.3017000       13.55000 0.4268000       12.89000      0.4266000      0.6630000      0.6035000
  1 1 1      33   13    3 o    5.423000      0.4709000       5.525000 0.6545000       5.320000      0.6772000      0.2047000      0.9418000
  1 1 1      33   13    4 o    2.660000      0.6807000       2.737000 0.9856000       2.583000      0.9393000      0.1535000       1.361000
  1 1 1      33   13    5 o    6.452000      0.3929000       6.886000 0.5286000       6.018000      0.5816000      0.8681000      0.7859000
  1 1 1      33   13    6 o    5.947000      0.4136000       5.818000 0.6011000       6.076000      0.5684000     -0.2586000      0.8272000
  1 1 1      33   13    7 o    2.682000      0.6094000       3.484000 0.9049000       1.880000      0.8166000       1.604000       1.219000
  1 1 1      33   13    8 o    2.357000      0.5880000       1.622000 0.7552000       3.092000      0.9015000      -1.470000       1.176000
  1 1 1      33   13    9 o    1.508000      0.5054000       1.604000 0.7497000       1.412000      0.6781000      0.1913000       1.011000
  1 1 1      33   13   10 o    2.445000      0.7042000       2.314000 0.9914000       2.575000       1.000000     -0.2606000       1.408000
  1 1 1      33   13   11 o    3.193000      0.7161000       2.560000 1.027000       3.826000      0.9979000      -1.266000       1.432000
  1 1 1      33   13   12 o    2.513000      0.6185000       2.502000 0.8716000       2.524000      0.8778000     -0.2127000E-01   1.237000
  1 1 1      33   13   13 o    4.200000      0.5508000       4.513000 0.8730000       3.888000      0.6717000      0.6243000       1.102000
  1 1 1      33   13   14 o    3.770000      0.7016000       3.750000 0.9576000       3.790000       1.026000     -0.4047000E-01   1.403000
  1 1 1      33   13   15 o    2.513000      0.5899000       2.962000 0.8476000       2.064000      0.8208000      0.8978000       1.180000
  1 1 1      33   13   16 o    2.820000      0.5870000       2.809000 0.8546000       2.831000      0.8051000     -0.2212000E-01   1.174000
  1 1 1      33   13   17 o    7.152000      0.2862000       7.709000 0.3887000       6.596000      0.4201000       1.114000      0.5723000
  1 1 1      33   14    0 o    3.736000      0.6565000       3.377000 0.9772000       4.094000      0.8770000     -0.7172000       1.313000
  1 1 1      33   14    1 o    4.958000      0.5331000       5.024000 0.7681000       4.891000      0.7395000      0.1334000       1.066000
  1 1 1      33   14    2 o    3.732000      0.6501000       4.051000 0.8972000       3.414000      0.9410000      0.6367000       1.300000
  1 1 1      33   14    3 o    6.096000      0.4408000       6.421000 0.5976000       5.771000      0.6480000      0.6508000      0.8815000
  1 1 1      33   14    4 o    1.904000      0.5881000       1.693000 0.7889000       2.115000      0.8724000     -0.4222000       1.176000
  1 1 1      33   14    5 o    2.832000      0.6691000       2.737000 0.9465000       2.927000      0.9460000     -0.1898000       1.338000
  1 1 1      33   14    6 o    6.348000      0.3984000       5.830000 0.6018000       6.866000      0.5222000      -1.036000      0.7968000
  1 1 1      33   14    7 o    5.463000      0.4252000       5.612000 0.5770000       5.313000      0.6247000      0.2995000      0.8504000
  1 1 1      33   14    8 o    2.304000      0.5971000       2.981000 0.9257000       1.627000      0.7545000       1.354000       1.194000
  1 1 1      33   14    9 o    4.595000      0.5132000       4.083000 0.8153000       5.106000      0.6236000      -1.023000       1.026000
  1 1 1      33   14   10 o    4.331000      0.5264000       4.262000 0.7785000       4.400000      0.7088000     -0.1388000       1.053000
  1 1 1      33   14   11 o    3.910000      0.7029000       4.066000 0.9898000       3.753000      0.9983000      0.3133000       1.406000
  1 1 1      33   14   12 o    1.846000      0.5687000       1.715000 0.7675000       1.977000      0.8395000     -0.2613000       1.137000
  1 1 1      33   14   13 o    2.673000      0.5601000       1.866000 0.8074000       3.479000      0.7766000      -1.613000       1.120000
  1 1 1      33   14   14 o    3.459000      0.7225000       3.064000 1.019000       3.853000       1.025000     -0.7896000       1.445000
  1 1 1      33   14   15 o    5.033000      0.4099000       5.391000 0.5527000       4.674000      0.6056000      0.7174000      0.8199000
  1 1 1      33   14   16 o    3.730000      0.5007000       4.011000 0.7016000       3.449000      0.7145000      0.5618000       1.001000
  1 1 1      33   14   17 o    5.308000      0.5304000       5.308000 0.5304000                  ?              ?              ?              ?
  1 1 1      33   15    0 o    8.279000      0.3562000       8.079000 0.5136000       8.479000      0.4936000     -0.3995000      0.7124000
  1 1 1      33   15    1 o    7.078000      0.3857000       6.874000 0.5537000       7.281000      0.5372000     -0.4072000      0.7715000
  1 1 1      33   15    2 o    12.32000      0.3012000       12.23000 0.4330000       12.42000      0.4190000     -0.1874000      0.6025000
  1 1 1      33   15    3 o    6.790000      0.3892000       6.980000 0.5421000       6.600000      0.5585000      0.3801000      0.7783000
  1 1 1      33   15    4 o    2.602000      0.6212000       3.402000 0.9477000       1.803000      0.8033000       1.599000       1.242000
  1 1 1      33   15    5 o    5.816000      0.4420000       5.240000 0.6868000       6.391000      0.5565000      -1.151000      0.8840000
  1 1 1      33   15    6 o    4.023000      0.5808000       4.229000 0.7849000       3.818000      0.8562000      0.4110000       1.162000
  1 1 1      33   15    7 o    1.921000      0.5903000       1.737000 0.7939000       2.104000      0.8738000     -0.3669000       1.181000
  1 1 1      33   15    8 o    1.850000      0.5755000       2.012000 0.8581000       1.688000      0.7670000      0.3245000       1.151000
  1 1 1      33   15    9 o    2.366000      0.6344000       2.631000 0.9236000       2.101000      0.8700000      0.5309000       1.269000
  1 1 1      33   15   10 o    4.419000      0.4993000       4.398000 0.7209000       4.441000      0.6910000     -0.4291000E-01  0.9985000
  1 1 1      33   15   11 o    5.837000      0.5709000       5.011000 0.9556000       6.664000      0.6248000      -1.653000       1.142000
  1 1 1      33   15   12 o    2.399000      0.6981000       2.583000 1.040000       2.215000      0.9314000      0.3678000       1.396000
  1 1 1      33   15   13 o    2.401000      0.6181000       2.495000 0.8883000       2.307000      0.8597000      0.1874000       1.236000
  1 1 1      33   15   14 o    3.422000      0.7390000       3.508000 1.020000       3.336000       1.070000      0.1723000       1.478000
  1 1 1      33   15   15 o    5.013000      0.5834000       5.570000 0.7633000       4.457000      0.8824000       1.112000       1.167000
  1 1 1      33   15   16 o    2.250000      0.5557000       1.760000 0.7683000       2.741000      0.8031000     -0.9815000       1.111000
  1 1 1      33   15   17 o    2.994000      0.8387000       2.994000 0.8387000                  ?              ?              ?              ?
  1 1 1      33   16    0 o    7.825000      0.3739000       7.850000 0.5431000       7.801000      0.5141000      0.4901000E-01  0.7478000
  1 1 1      33   16    1 o    4.426000      0.5665000       4.314000 0.8397000       4.539000      0.7608000     -0.2246000       1.133000
  1 1 1      33   16    2 f    9.896000      0.3236000       9.803000 0.4678000       9.988000      0.4473000     -0.1848000      0.6472000
  1 1 1      33   16    3 f    2.209000      0.6462000       2.316000 0.9409000       2.102000      0.8860000      0.2136000       1.292000
  1 1 1      33   16    4 o    4.719000      0.5399000       5.275000 0.7163000       4.163000      0.8082000       1.112000       1.080000
  1 1 1      33   16    5 o    7.136000      0.3717000       6.742000 0.5552000       7.530000      0.4944000     -0.7882000      0.7434000
  1 1 1      33   16    6 o    2.671000      0.6421000       2.089000 0.8847000       3.253000      0.9308000      -1.164000       1.284000
  1 1 1      33   16    7 o    6.429000      0.3856000       6.773000 0.5231000       6.086000      0.5667000      0.6869000      0.7712000
  1 1 1      33   16    8 o    6.162000      0.3947000       6.210000 0.5881000       6.114000      0.5265000      0.9540000E-01  0.7893000
  1 1 1      33   16    9 o    4.755000      0.5019000       5.637000 0.6409000       3.872000      0.7726000       1.765000       1.004000
  1 1 1      33   16   10 o    5.261000      0.4429000       5.132000 0.6580000       5.391000      0.5930000     -0.2585000      0.8858000
  1 1 1      33   16   11 o    6.897000      0.3466000       6.472000 0.5184000       7.323000      0.4603000     -0.8509000      0.6933000
  1 1 1      33   16   12 o    3.828000      0.6943000       3.057000 1.130000       4.599000      0.8067000      -1.542000       1.389000
  1 1 1      33   16   13 o    1.682000      0.5357000       1.578000 0.7358000       1.787000      0.7789000     -0.2088000       1.071000
  1 1 1      33   16   14 o    2.610000      0.6017000       2.301000 0.8767000       2.919000      0.8244000     -0.6177000       1.203000
  1 1 1      33   16   15 o    3.002000      0.7065000       3.600000 1.015000       2.403000      0.9828000       1.197000       1.413000
  1 1 1      33   16   16 f    5.233000      0.5616000       5.640000 0.7631000       4.825000      0.8242000      0.8146000       1.123000
  1 1 1      33   16   17 o    1.873000      0.5407000       2.281000 0.8416000       1.465000      0.6791000      0.8161000       1.081000
  1 1 1      33   17    0 o    2.989000      0.6973000       2.650000 1.001000       3.328000      0.9709000     -0.6774000       1.395000
  1 1 1      33   17    1 o    3.066000      0.6774000       2.480000 0.9875000       3.652000      0.9276000      -1.172000       1.355000
  1 1 1      33   17    2 f    8.435000      0.3517000       8.523000 0.5103000       8.348000      0.4841000      0.1750000      0.7034000
  1 1 1      33   17    3 o    2.226000      0.6420000       2.669000 0.9943000       1.783000      0.8123000      0.8859000       1.284000
  1 1 1      33   17    4 o    3.180000      0.6431000       2.436000 0.9675000       3.923000      0.8474000      -1.487000       1.286000
  1 1 1      33   17    5 o    8.239000      0.3396000       7.843000 0.5046000       8.635000      0.4545000     -0.7924000      0.6791000
  1 1 1      33   17    6 o    2.975000      0.6323000       2.217000 0.9175000       3.733000      0.8704000      -1.516000       1.265000
  1 1 1      33   17    7 o    8.520000      0.3261000       8.260000 0.4839000       8.781000      0.4373000     -0.5215000      0.6522000
  1 1 1      33   17    8 o    6.151000      0.4135000       5.794000 0.6472000       6.508000      0.5149000     -0.7140000      0.8270000
  1 1 1      33   17    9 o    1.924000      0.5889000       1.813000 0.8225000       2.034000      0.8431000     -0.2219000       1.178000
  1 1 1      33   17   10 o    3.708000      0.6024000       4.013000 0.8297000       3.403000      0.8735000      0.6104000       1.205000
  1 1 1      33   17   11 o    5.810000      0.3917000       5.905000 0.5712000       5.715000      0.5360000      0.1903000      0.7833000
  1 1 1      33   17   12 f    3.919000      0.6612000       2.939000 1.102000       4.898000      0.7304000      -1.959000       1.322000
  1 1 1      33   17   13 o    5.714000      0.5163000       6.296000 0.7223000       5.132000      0.7378000       1.164000       1.033000
  1 1 1      33   17   14 o    2.999000      0.5848000       3.831000 0.8159000       2.168000      0.8380000       1.663000       1.170000
  1 1 1      33   17   15 o    3.880000      0.5301000       3.224000 0.8736000       4.536000      0.6006000      -1.312000       1.060000
  1 1 1      33   17   16 o    4.184000      0.6963000       3.535000 1.085000       4.832000      0.8725000      -1.297000       1.393000
  1 1 1      33   17   17 f    1.936000      0.5521000       1.592000 0.7365000       2.281000      0.8228000     -0.6891000       1.104000
  1 1 1      33   18    0 o    4.066000      0.6461000       4.673000 0.8497000       3.458000      0.9734000       1.215000       1.292000
  1 1 1      33   18    1 o    3.581000      0.6472000       2.703000 1.016000       4.459000      0.8017000      -1.757000       1.294000
  1 1 1      33   18    2 o    5.536000      0.4903000       5.137000 0.7704000       5.935000      0.6065000     -0.7985000      0.9805000
  1 1 1      33   18    3 o    5.858000      0.4690000       5.440000 0.7274000       6.276000      0.5922000     -0.8365000      0.9380000
  1 1 1      33   18    4 o    6.030000      0.4477000       6.445000 0.6423000       5.615000      0.6239000      0.8300000      0.8954000
  1 1 1      33   18    5 o    10.46000      0.3123000       10.83000 0.4589000       10.08000      0.4239000      0.7441000      0.6247000
  1 1 1      33   18    6 o    2.191000      0.6293000       1.905000 0.8576000       2.478000      0.9213000     -0.5733000       1.259000
  1 1 1      33   18    7 o    6.758000      0.3858000       6.764000 0.5651000       6.752000      0.5255000      0.1225000E-01  0.7717000
  1 1 1      33   18    8 o    3.236000      0.6740000       3.293000 0.9679000       3.179000      0.9383000      0.1138000       1.348000
  1 1 1      33   18    9 o    2.984000      0.6618000       2.884000 0.9710000       3.083000      0.8995000     -0.1986000       1.324000
  1 1 1      33   18   10 o    2.306000      0.6291000       1.994000 0.8655000       2.617000      0.9133000     -0.6229000       1.258000
  1 1 1      33   18   11 o    2.324000      0.6306000       2.538000 0.9212000       2.110000      0.8615000      0.4284000       1.261000
  1 1 1      33   18   12 o    4.506000      0.5016000       4.275000 0.7882000       4.737000      0.6206000     -0.4616000       1.003000
  1 1 1      33   18   13 o    6.236000      0.5054000       5.914000 0.7982000       6.559000      0.6203000     -0.6446000       1.011000
  1 1 1      33   18   14 o    3.406000      0.7188000       3.215000 1.087000       3.597000      0.9405000     -0.3814000       1.438000
  1 1 1      33   18   15 f    3.954000      0.5226000       5.096000 0.6051000       2.812000      0.8522000       2.285000       1.045000
  1 1 1      33   18   16 o    2.215000      0.5885000       1.866000 0.8082000       2.564000      0.8557000     -0.6987000       1.177000
  1 1 1      33   18   17 o    2.793000      0.7272000       2.758000 1.041000       2.827000       1.015000     -0.6907000E-01   1.454000
  1 1 1      33   19    0 o    3.896000      0.6562000       4.607000 0.8822000       3.185000      0.9717000       1.422000       1.312000
  1 1 1      33   19    1 o    4.115000      0.6433000       3.826000 0.9984000       4.403000      0.8113000     -0.5774000       1.287000
  1 1 1      33   19    2 o    2.223000      0.6326000       1.751000 0.8267000       2.695000      0.9579000     -0.9440000       1.265000
  1 1 1      33   19    3 o    7.465000      0.3940000       7.653000 0.5885000       7.278000      0.5239000      0.3751000      0.7880000
  1 1 1      33   19    4 o    11.14000      0.3132000       11.41000 0.4553000       10.86000      0.4302000      0.5501000      0.6264000
  1 1 1      33   19    5 o    14.84000      0.2995000       14.96000 0.4315000       14.71000      0.4154000      0.2529000      0.5989000
  1 1 1      33   19    6 o    4.549000      0.5522000       4.914000 0.7480000       4.184000      0.8124000      0.7307000       1.104000
  1 1 1      33   19    7 o    4.849000      0.5200000       4.391000 0.8246000       5.308000      0.6336000     -0.9165000       1.040000
  1 1 1      33   19    8 o    7.316000      0.3553000       7.064000 0.5224000       7.567000      0.4818000     -0.5032000      0.7106000
  1 1 1      33   19    9 o    3.614000      0.5915000       2.853000 0.9359000       4.374000      0.7236000      -1.521000       1.183000
  1 1 1      33   19   10 o    2.143000      0.6230000       2.175000 0.8954000       2.111000      0.8666000      0.6470000E-01   1.246000
  1 1 1      33   19   11 o    2.156000      0.5955000       2.754000 0.9418000       1.558000      0.7292000       1.196000       1.191000
  1 1 1      33   19   12 o    5.118000      0.4468000       4.791000 0.6819000       5.444000      0.5776000     -0.6537000      0.8936000
  1 1 1      33   19   13 o    4.489000      0.4879000       4.060000 0.7778000       4.917000      0.5891000     -0.8563000      0.9757000
  1 1 1      33   19   15 o    4.552000      0.6541000       3.738000 1.103000       5.366000      0.7030000      -1.628000       1.308000
  1 1 1      33   19   16 o    1.982000      0.5350000       1.329000 0.6465000       2.636000      0.8525000      -1.307000       1.070000
  1 1 1      33   19   17 o    1.695000      0.5416000       1.499000 0.7427000       1.890000      0.7886000     -0.3913000       1.083000
  1 1 1      33   20    0 o    8.709000      0.5263000       8.658000 0.6971000       8.759000      0.7887000     -0.1013000       1.053000
  1 1 1      33   20    1 o    5.903000      0.4851000       6.288000 0.6804000       5.517000      0.6917000      0.7718000      0.9703000
  1 1 1      33   20    2 o    5.556000      0.5089000       4.829000 0.8264000       6.283000      0.5940000      -1.454000       1.018000
  1 1 1      33   20    3 o    8.178000      0.3688000       7.977000 0.5405000       8.379000      0.5018000     -0.4024000      0.7376000
  1 1 1      33   20    4 o    10.90000      0.3185000       10.42000 0.4724000       11.39000      0.4273000     -0.9792000      0.6369000
  1 1 1      33   20    5 o    10.50000      0.3158000       10.73000 0.4531000       10.27000      0.4400000      0.4553000      0.6316000
  1 1 1      33   20    6 o    5.524000      0.4878000       5.489000 0.7143000       5.559000      0.6645000     -0.7040000E-01  0.9756000
  1 1 1      33   20    7 o    2.065000      0.6220000       1.978000 0.8785000       2.152000      0.8808000     -0.1734000       1.244000
  1 1 1      33   20    8 o    3.459000      0.6433000       3.022000 0.9643000       3.896000      0.8518000     -0.8745000       1.287000
  1 1 1      33   20    9 o    2.928000      0.6606000       2.819000 0.9441000       3.037000      0.9242000     -0.2184000       1.321000
  1 1 1      33   20   10 o    2.441000      0.6455000       2.333000 0.9158000       2.548000      0.9100000     -0.2150000       1.291000
  1 1 1      33   20   11 o    1.953000      0.5831000       1.667000 0.7727000       2.239000      0.8736000     -0.5720000       1.166000
  1 1 1      33   20   12 o    5.775000      0.3884000       5.719000 0.5834000       5.831000      0.5130000     -0.1121000      0.7769000
  1 1 1      33   20   13 o    2.131000      0.6034000       2.518000 0.9204000       1.743000      0.7806000      0.7745000       1.207000
  1 1 1      33   20   14 o    5.451000      0.4035000       5.674000 0.5934000       5.227000      0.5470000      0.4466000      0.8070000
  1 1 1      33   20   15 o    5.252000      0.5853000       4.831000 0.9492000       5.673000      0.6849000     -0.8423000       1.171000
  1 1 1      33   20   16 o    3.499000      0.6818000       2.937000 1.097000       4.062000      0.8096000      -1.126000       1.364000
  1 1 1      33   21    0 o    7.437000      0.6699000       8.485000 0.7551000       6.388000       1.107000       2.096000       1.340000
  1 1 1      33   21    1 o    3.241000      0.8618000       3.286000 1.204000       3.196000       1.233000      0.8980000E-01   1.724000
  1 1 1      33   21    2 o    2.889000      0.7160000       2.575000 1.008000       3.203000       1.017000     -0.6284000       1.432000
  1 1 1      33   21    3 o    5.443000      0.5117000       5.217000 0.7754000       5.668000      0.6680000     -0.4509000       1.023000
  1 1 1      33   21    4 o    6.558000      0.4315000       7.287000 0.5861000       5.829000      0.6334000       1.458000      0.8630000
  1 1 1      33   21    5 o    3.890000      0.6596000       3.783000 0.9846000       3.998000      0.8779000     -0.2157000       1.319000
  1 1 1      33   21    6 o    6.096000      0.4280000       5.758000 0.6498000       6.434000      0.5571000     -0.6756000      0.8559000
  1 1 1      33   21    7 o    5.894000      0.4243000       6.022000 0.6085000       5.766000      0.5914000      0.2555000      0.8486000
  1 1 1      33   21    8 o    3.398000      0.6517000       3.787000 0.9016000       3.008000      0.9412000      0.7792000       1.303000
  1 1 1      33   21    9 o    2.003000      0.6033000       1.896000 0.8418000       2.109000      0.8645000     -0.2130000       1.207000
  1 1 1      33   21   10 o    5.578000      0.4313000       5.353000 0.6477000       5.803000      0.5696000     -0.4502000      0.8626000
  1 1 1      33   21   11 o    3.689000      0.6103000       3.411000 0.9266000       3.966000      0.7945000     -0.5547000       1.221000
  1 1 1      33   21   12 o    4.352000      0.5070000       4.211000 0.7682000       4.493000      0.6618000     -0.2814000       1.014000
  1 1 1      33   21   13 o    2.586000      0.5945000       1.943000 0.8398000       3.230000      0.8418000      -1.288000       1.189000
  1 1 1      33   21   14 o    4.419000      0.4821000       4.727000 0.6853000       4.112000      0.6783000      0.6151000      0.9642000
  1 1 1      33   21   15 o    3.106000      0.5891000       2.551000 0.9331000       3.661000      0.7193000      -1.111000       1.178000
  1 1 1      33   21   16 o    3.839000      0.5397000       4.198000 0.7785000       3.480000      0.7478000      0.7185000       1.079000
  1 1 1      33   22    0 f    3.688000      0.6931000       3.266000 1.062000       4.111000      0.8909000     -0.8455000       1.386000
  1 1 1      33   22    1 o    3.790000      0.8927000       3.700000 1.215000       3.880000       1.308000     -0.1796000       1.785000
  1 1 1      33   22    2 o    2.955000      0.8435000       3.103000 1.198000       2.806000       1.188000      0.2974000       1.687000
  1 1 1      33   22    3 o    3.536000      0.7086000       3.528000 1.019000       3.544000      0.9850000     -0.1561000E-01   1.417000
  1 1 1      33   22    4 o    5.322000      0.5122000       4.915000 0.8089000       5.729000      0.6287000     -0.8138000       1.024000
  1 1 1      33   22    5 o    3.340000      0.6728000       3.153000 0.9976000       3.528000      0.9032000     -0.3746000       1.346000
  1 1 1      33   22    6 o    2.814000      0.6736000       2.624000 0.9722000       3.003000      0.9325000     -0.3793000       1.347000
  1 1 1      33   22    7 o    4.972000      0.4850000       5.028000 0.6906000       4.915000      0.6812000      0.1124000      0.9701000
  1 1 1      33   22    8 o    2.241000      0.6397000       2.401000 0.9589000       2.080000      0.8471000      0.3210000       1.279000
  1 1 1      33   22    9 o    4.127000      0.5623000       3.833000 0.9042000       4.421000      0.6687000     -0.5883000       1.125000
  1 1 1      33   22   10 f    3.375000      0.6171000       2.938000 0.9658000       3.811000      0.7685000     -0.8731000       1.234000
  1 1 1      33   22   11 o    2.293000      0.6316000       2.269000 0.9014000       2.317000      0.8850000     -0.4792000E-01   1.263000
  1 1 1      33   22   12 o    2.740000      0.5948000       3.688000 0.8825000       1.791000      0.7976000       1.897000       1.190000
  1 1 1      33   22   13 o    4.764000      0.4765000       4.534000 0.7450000       4.993000      0.5945000     -0.4589000      0.9531000
  1 1 1      33   22   14 o    2.697000      0.6049000       2.228000 0.8966000       3.167000      0.8122000     -0.9392000       1.210000
  1 1 1      33   22   15 o    2.996000      0.6056000       2.515000 0.9287000       3.477000      0.7774000     -0.9618000       1.211000
  1 1 1      33   23    0 o    2.710000      0.7063000       2.819000 1.031000       2.601000      0.9652000      0.2177000       1.413000
  1 1 1      33   23    1 f    3.304000      0.7013000       3.016000 1.053000       3.591000      0.9260000     -0.5748000       1.403000
  1 1 1      33   23    2 o    3.488000      0.8572000       3.640000 1.209000       3.335000       1.216000      0.3056000       1.714000
  1 1 1      33   23    3 f    3.811000      0.8209000       3.001000 1.159000       4.620000       1.162000      -1.619000       1.642000
  1 1 1      33   23    4 o    2.972000      0.6883000       3.194000 0.9886000       2.749000      0.9581000      0.4449000       1.377000
  1 1 1      33   23    5 o    3.267000      0.6606000       2.875000 0.9798000       3.658000      0.8862000     -0.7837000       1.321000
  1 1 1      33   23    6 o    4.842000      0.4935000       4.775000 0.7434000       4.909000      0.6493000     -0.1336000      0.9871000
  1 1 1      33   23    7 o    2.389000      0.6410000       2.231000 0.9158000       2.546000      0.8972000     -0.3148000       1.282000
  1 1 1      33   23    8 o    2.941000      0.6262000       3.856000 0.9258000       2.027000      0.8435000       1.829000       1.252000
  1 1 1      33   23    9 o    2.285000      0.6359000       2.583000 0.9646000       1.987000      0.8289000      0.5957000       1.272000
  1 1 1      33   23   10 o    3.576000      0.6232000       3.213000 0.9657000       3.940000      0.7880000     -0.7273000       1.246000
  1 1 1      33   23   11 o    2.287000      0.6344000       2.261000 0.9103000       2.312000      0.8837000     -0.5094000E-01   1.269000
  1 1 1      33   23   12 o    3.822000      0.5907000       3.700000 0.9046000       3.945000      0.7597000     -0.2453000       1.181000
  1 1 1      33   23   13 o    4.107000      0.5356000       4.087000 0.8238000       4.127000      0.6848000     -0.4018000E-01   1.071000
  1 1 1      33   23   14 o    1.954000      0.5590000       1.479000 0.7120000       2.430000      0.8619000     -0.9507000       1.118000
  1 1 1      33   23   15 o    4.333000       1.021000                  ?       ?   4.333000       1.021000                  ?              ?
  1 1 1      33   24    0 o    3.025000      0.7855000       2.800000 1.162000       3.250000       1.058000     -0.4499000       1.571000
  1 1 1      33   24    1 o    2.409000      0.6811000       2.678000 1.018000       2.140000      0.9051000      0.5376000       1.362000
  1 1 1      33   24    2 o    2.990000      0.6753000       2.645000 0.9906000       3.334000      0.9181000     -0.6890000       1.351000
  1 1 1      33   24    3 f    3.866000      0.8253000       3.609000 1.197000       4.124000       1.137000     -0.5147000       1.651000
  1 1 1      33   24    4 o    3.136000      0.8182000       3.712000 1.223000       2.560000       1.088000       1.153000       1.636000
  1 1 1      33   24    5 o    6.471000      0.4183000       6.165000 0.6525000       6.778000      0.5237000     -0.6128000      0.8367000
  1 1 1      33   24    6 o    3.991000      0.6148000       3.705000 0.9752000       4.276000      0.7488000     -0.5710000       1.230000
  1 1 1      33   24    7 o    2.263000      0.6535000       2.385000 0.9576000       2.140000      0.8895000      0.2446000       1.307000
  1 1 1      33   24    8 o    2.323000      0.6452000       2.725000 0.9880000       1.922000      0.8301000      0.8026000       1.290000
  1 1 1      33   24    9 o    2.546000      0.6591000       2.291000 0.9445000       2.801000      0.9196000     -0.5104000       1.318000
  1 1 1      33   24   10 o    1.719000      0.5589000       1.671000 0.7932000       1.766000      0.7876000     -0.9482000E-01   1.118000
  1 1 1      33   24   11 o    2.144000      0.6231000       2.125000 0.9034000       2.164000      0.8584000     -0.3896000E-01   1.246000
  1 1 1      33   24   12 o    4.953000      0.4859000       4.882000 0.7406000       5.025000      0.6293000     -0.1434000      0.9718000
  1 1 1      33   24   13 o    3.868000      0.5731000       3.308000 0.9265000       4.428000      0.6747000      -1.120000       1.146000
  1 1 1      33   24   14 o    2.203000      0.6764000       2.786000 1.126000       1.620000      0.7503000       1.165000       1.353000
  1 1 1      33   25    0 o    3.918000      0.6605000       4.368000 0.9115000       3.468000      0.9561000      0.9009000       1.321000
  1 1 1      33   25    1 o    3.988000      0.7423000       2.963000 1.146000       5.014000      0.9443000      -2.051000       1.485000
  1 1 1      33   25    2 o    2.355000      0.6447000       2.848000 0.9805000       1.862000      0.8373000      0.9852000       1.289000
  1 1 1      33   25    3 o    4.047000      0.6442000       4.262000 0.9318000       3.832000      0.8898000      0.4301000       1.288000
  1 1 1      33   25    4 o    2.752000      0.7434000       3.632000 1.249000       1.873000      0.8069000       1.759000       1.487000
  1 1 1      33   25    5 o    3.757000      0.8029000       4.984000 1.191000       2.531000       1.077000       2.452000       1.606000
  1 1 1      33   25    6 o    3.348000      0.6660000       2.975000 1.014000       3.720000      0.8641000     -0.7452000       1.332000
  1 1 1      33   25    7 o    1.888000      0.5956000       1.862000 0.8494000       1.915000      0.8352000     -0.5343000E-01   1.191000
  1 1 1      33   25    8 o    2.265000      0.6500000       2.395000 0.9595000       2.136000      0.8773000      0.2589000       1.300000
  1 1 1      33   25    9 o    2.100000      0.6193000       2.478000 0.9633000       1.721000      0.7786000      0.7574000       1.239000
  1 1 1      33   25   10 o    2.584000      0.6538000       3.006000 0.9803000       2.163000      0.8653000      0.8432000       1.308000
  1 1 1      33   25   11 o    2.313000      0.6462000       2.293000 0.9380000       2.334000      0.8890000     -0.4097000E-01   1.292000
  1 1 1      33   25   12 o    2.520000      0.6542000       2.564000 0.9587000       2.475000      0.8905000      0.8890000E-01   1.308000
  1 1 1      33   25   13 o    3.566000      0.6529000       3.831000 0.9245000       3.300000      0.9221000      0.5307000       1.306000
  1 1 1      33   26    0 o    3.478000      0.6974000       3.038000 1.026000       3.918000      0.9450000     -0.8795000       1.395000
  1 1 1      33   26    1 o    2.473000      0.6931000       2.646000 1.029000       2.299000      0.9286000      0.3479000       1.386000
  1 1 1      33   26    2 o    3.606000      0.7552000       2.900000 1.206000       4.312000      0.9095000      -1.412000       1.510000
  1 1 1      33   26    3 o    5.754000      0.7241000       4.802000 1.245000       6.705000      0.7404000      -1.904000       1.448000
  1 1 1      33   26    4 o    3.514000      0.6574000       4.193000 0.9021000       2.834000      0.9565000       1.360000       1.315000
  1 1 1      33   26    5 o    2.725000      0.6906000       2.791000 1.036000       2.659000      0.9135000      0.1321000       1.381000
  1 1 1      33   26    6 o    2.580000      0.7852000       2.782000 1.162000       2.378000       1.057000      0.4037000       1.570000
  1 1 1      33   26    7 o    3.062000      0.8254000       2.978000 1.135000       3.145000       1.198000     -0.1672000       1.651000
  1 1 1      33   26    8 o    2.744000      0.5980000       1.844000 0.8501000       3.643000      0.8413000      -1.799000       1.196000
  1 1 1      33   26    9 o    2.642000      0.6677000       2.417000 0.9643000       2.867000      0.9239000     -0.4502000       1.335000
  1 1 1      33   26   10 o    1.882000      0.5842000       1.680000 0.7899000       2.083000      0.8609000     -0.4034000       1.168000
  1 1 1      33   26   11 o    2.915000      0.6388000       2.230000 0.9260000       3.600000      0.8803000      -1.371000       1.278000
  1 1 1      33   26   12 o    3.155000      0.7940000       2.449000 1.064000       3.860000       1.179000      -1.411000       1.588000
  1 1 1      33   27    0 o    1.867000      0.6062000       2.003000 0.9146000       1.732000      0.7959000      0.2709000       1.212000
  1 1 1      33   27    1 o    5.751000      0.5127000       5.267000 0.8152000       6.235000      0.6220000     -0.9678000       1.025000
  1 1 1      33   27    2 o    2.139000      0.6450000       2.007000 0.8931000       2.270000      0.9308000     -0.2630000       1.290000
  1 1 1      33   27    3 o    4.193000      0.8154000       4.720000 1.197000       3.667000       1.107000       1.053000       1.631000
  1 1 1      33   27    4 o    3.706000      0.8359000       3.494000 1.254000       3.917000       1.105000     -0.4227000       1.672000
  1 1 1      33   27    5 o    4.781000      0.5794000       5.004000 0.8525000       4.557000      0.7848000      0.4473000       1.159000
  1 1 1      33   27    6 o    3.231000      0.6678000       2.848000 1.015000       3.615000      0.8679000     -0.7669000       1.336000
  1 1 1      33   27    7 f    2.582000      0.7213000       3.141000 1.167000       2.023000      0.8483000       1.118000       1.443000
  1 1 1      33   27    8 o    3.083000      0.8277000       2.968000 1.148000       3.197000       1.193000     -0.2296000       1.655000
  1 1 1      33   27    9 o    2.760000      0.7346000       2.881000 0.9505000       2.639000       1.120000      0.2422000       1.469000
  1 1 1      33   27   10 o    2.044000      0.6200000       1.985000 0.8743000       2.102000      0.8792000     -0.1166000       1.240000
  1 1 1      33   28    0 o    4.841000      0.5946000       4.212000 0.9449000       5.470000      0.7222000      -1.259000       1.189000
  1 1 1      33   28    1 o    4.151000      0.6202000       3.423000 1.019000       4.879000      0.7068000      -1.455000       1.240000
  1 1 1      33   28    2 o    3.685000      0.6757000       3.953000 1.000000       3.417000      0.9090000      0.5363000       1.351000
  1 1 1      33   28    3 o    3.794000      0.6990000       3.729000 1.049000       3.860000      0.9237000     -0.1315000       1.398000
  1 1 1      33   28    4 o    5.236000      0.5586000       4.464000 0.9373000       6.008000      0.6079000      -1.544000       1.117000
  1 1 1      33   28    5 o    4.521000      0.7539000       3.651000 1.287000       5.392000      0.7864000      -1.742000       1.508000
  1 1 1      33   28    6 o    2.999000      0.8101000       2.966000 1.209000       3.032000       1.079000     -0.6601000E-01   1.620000
  1 1 1      33   28    7 o    2.100000      0.6158000       1.644000 0.7756000       2.557000      0.9568000     -0.9131000       1.232000
  1 1 1      33   28    8 o    3.546000      0.5729000       2.120000 0.9271000       4.971000      0.6734000      -2.851000       1.146000
  1 1 1      33   29    0 o    3.593000      0.7096000       3.229000 1.070000       3.957000      0.9327000     -0.7284000       1.419000
  1 1 1      33   29    1 o    2.444000      0.6512000       1.839000 0.8459000       3.049000      0.9903000      -1.210000       1.302000
  1 1 1      33   29    2 o    2.462000      0.6744000       2.925000 1.023000       1.999000      0.8785000      0.9260000       1.349000
  1 1 1      33   29    3 o    2.380000      0.6809000       2.767000 1.039000       1.993000      0.8807000      0.7739000       1.362000
  1 1 1      33   29    4 o    4.099000      0.6476000       3.325000 1.045000       4.874000      0.7648000      -1.548000       1.295000
  1 1 1      33   29    5 o    2.445000      0.6764000       2.181000 0.9381000       2.708000      0.9748000     -0.5270000       1.353000
  1 1 1      33   29    6 o    2.750000      0.8013000       2.436000 1.075000       3.065000       1.189000     -0.6288000       1.603000
  1 1 1      34    2    0 o    3.866000      0.6458000       3.804000 1.116000       3.927000      0.6494000     -0.1234000       1.292000
  1 1 1      34    2    1 o    2.328000      0.5506000       1.543000 0.7058000       3.114000      0.8454000      -1.571000       1.101000
  1 1 1      34    2    2 o    3.995000      0.6451000       3.934000 0.8702000       4.055000      0.9525000     -0.1210000       1.290000
  1 1 1      34    2    3 o    2.972000      0.6711000       2.754000 1.083000       3.190000      0.7924000     -0.4360000       1.342000
  1 1 1      34    2    4 o    2.509000      0.5990000       2.794000 0.8641000       2.224000      0.8296000      0.5697000       1.198000
  1 1 1      34    2    5 o    4.093000      0.6015000       2.774000 0.8942000       5.413000      0.8048000      -2.639000       1.203000
  1 1 1      34    3    0 o    5.687000      0.4025000       5.755000 0.5600000       5.620000      0.5783000      0.1344000      0.8050000
  1 1 1      34    3    1 o    2.451000      0.6897000       2.477000 0.9520000       2.426000      0.9983000      0.5121000E-01   1.379000
  1 1 1      34    3    2 o    3.007000      0.6996000       3.411000 0.9521000       2.603000       1.025000      0.8074000       1.399000
  1 1 1      34    3    3 o    1.871000      0.5574000       2.014000 0.8093000       1.727000      0.7667000      0.2876000       1.115000
  1 1 1      34    3    4 o    3.403000      0.5531000       3.000000 0.8119000       3.806000      0.7513000     -0.8058000       1.106000
  1 1 1      34    3    5 o    1.433000      0.4755000       1.551000 0.7049000       1.315000      0.6385000      0.2361000      0.9510000
  1 1 1      34    3    6 o    3.512000      0.5456000       3.498000 0.7196000       3.527000      0.8203000     -0.2899000E-01   1.091000
  1 1 1      34    3    7 o    2.675000      0.6449000       2.810000 0.9874000       2.540000      0.8297000      0.2697000       1.290000
  1 1 1      34    4    0 o    2.432000      0.6268000       2.385000 0.8935000       2.480000      0.8792000     -0.9493000E-01   1.254000
  1 1 1      34    4    1 o    8.083000      0.4140000       8.389000 0.5548000       7.776000      0.6147000      0.6130000      0.8280000
  1 1 1      34    4    2 o    3.074000      0.5959000       3.459000 0.8037000       2.690000      0.8801000      0.7695000       1.192000
  1 1 1      34    4    3 o    4.294000      0.4696000       4.491000 0.6479000       4.097000      0.6800000      0.3939000      0.9392000
  1 1 1      34    4    4 o    4.161000      0.4846000       4.439000 0.6080000       3.882000      0.7549000      0.5572000      0.9693000
  1 1 1      34    4    5 o    3.569000      0.5327000       3.289000 0.8007000       3.849000      0.7029000     -0.5601000       1.065000
  1 1 1      34    4    6 o    2.374000      0.5797000       2.692000 0.8359000       2.055000      0.8033000      0.6371000       1.159000
  1 1 1      34    4    7 o    6.149000      0.3257000       6.086000 0.4487000       6.212000      0.4721000     -0.1268000      0.6513000
  1 1 1      34    4    8 o    4.436000      0.4602000       5.262000 0.4973000       3.610000      0.7746000       1.652000      0.9205000
  1 1 1      34    4    9 o    5.277000      0.3498000       5.166000 0.4874000       5.389000      0.5018000     -0.2228000      0.6996000
  1 1 1      34    5    0 o    5.889000      0.5251000       5.757000 0.7375000       6.021000      0.7476000     -0.2636000       1.050000
  1 1 1      34    5    1 o    3.979000      0.6776000       3.136000 0.9528000       4.822000      0.9638000      -1.685000       1.355000
  1 1 1      34    5    2 o    2.727000      0.6173000       3.108000 0.8616000       2.346000      0.8843000      0.7620000       1.235000
  1 1 1      34    5    3 o    4.564000      0.4902000       5.526000 0.5545000       3.603000      0.8085000       1.924000      0.9804000
  1 1 1      34    5    4 o    6.265000      0.3491000       6.232000 0.4965000       6.298000      0.4910000     -0.6604000E-01  0.6982000
  1 1 1      34    5    5 o    6.029000      0.3583000       6.402000 0.4890000       5.655000      0.5237000      0.7468000      0.7166000
  1 1 1      34    5    6 f    5.273000      0.3799000       5.381000 0.5347000       5.164000      0.5399000      0.2168000      0.7599000
  1 1 1      34    5    7 o    4.757000      0.4228000       5.075000 0.5602000       4.440000      0.6334000      0.6343000      0.8456000
  1 1 1      34    5    8 o    4.150000      0.4648000       3.744000 0.6991000       4.556000      0.6126000     -0.8120000      0.9296000
  1 1 1      34    5    9 f    2.922000      0.5636000       2.441000 0.8223000       3.402000      0.7711000     -0.9607000       1.127000
  1 1 1      34    5   10 o    3.488000      0.5195000       3.372000 0.7288000       3.604000      0.7405000     -0.2321000       1.039000
  1 1 1      34    6    0 o    2.327000      0.6801000       2.536000 0.9948000       2.117000      0.9275000      0.4188000       1.360000
  1 1 1      34    6    1 o    1.618000      0.5284000       1.549000 0.7270000       1.687000      0.7670000     -0.1380000       1.057000
  1 1 1      34    6    2 o    3.957000      0.5520000       4.364000 0.6948000       3.549000      0.8581000      0.8145000       1.104000
  1 1 1      34    6    3 o    3.102000      0.6086000       2.555000 0.8746000       3.649000      0.8465000      -1.095000       1.217000
  1 1 1      34    6    4 o    2.705000      0.6166000       2.298000 0.8631000       3.112000      0.8808000     -0.8149000       1.233000
  1 1 1      34    6    5 o    4.905000      0.4291000       4.968000 0.6110000       4.842000      0.6027000      0.1261000      0.8582000
  1 1 1      34    6    6 o    4.342000      0.4816000       4.452000 0.6618000       4.233000      0.6998000      0.2187000      0.9632000
  1 1 1      34    6    7 o    3.864000      0.5218000       3.873000 0.7093000       3.855000      0.7656000      0.1770000E-01   1.044000
  1 1 1      34    6    8 o    6.676000      0.3240000       7.179000 0.4252000       6.173000      0.4891000       1.006000      0.6481000
  1 1 1      34    6    9 o    2.046000      0.5739000       2.022000 0.7970000       2.069000      0.8259000     -0.4649000E-01   1.148000
  1 1 1      34    6   10 o    2.198000      0.5719000       2.456000 0.8160000       1.941000      0.8014000      0.5144000       1.144000
  1 1 1      34    6   11 o    1.676000      0.5160000       1.724000 0.7288000       1.628000      0.7306000      0.9696000E-01   1.032000
  1 1 1      34    7    0 o    6.541000      0.5135000       6.739000 0.7068000       6.343000      0.7450000      0.3956000       1.027000
  1 1 1      34    7    1 o    4.487000      0.4944000       4.388000 0.7048000       4.587000      0.6936000     -0.1986000      0.9888000
  1 1 1      34    7    2 o    4.270000      0.5361000       3.736000 0.8419000       4.804000      0.6641000      -1.068000       1.072000
  1 1 1      34    7    3 o    2.626000      0.6108000       3.190000 0.8739000       2.062000      0.8537000       1.128000       1.222000
  1 1 1      34    7    4 o    2.597000      0.6166000       2.173000 0.8643000       3.022000      0.8797000     -0.8488000       1.233000
  1 1 1      34    7    5 o    3.788000      0.5463000       3.888000 0.7716000       3.689000      0.7735000      0.1990000       1.093000
  1 1 1      34    7    6 o    7.541000      0.3154000       8.077000 0.4200000       7.005000      0.4706000       1.072000      0.6308000
  1 1 1      34    7    7 o    6.577000      0.3383000       6.388000 0.4855000       6.766000      0.4712000     -0.3776000      0.6766000
  1 1 1      34    7    8 o    1.855000      0.5583000       1.696000 0.7528000       2.014000      0.8248000     -0.3181000       1.117000
  1 1 1      34    7    9 o    6.472000      0.3343000       6.126000 0.4866000       6.817000      0.4586000     -0.6907000      0.6686000
  1 1 1      34    7   10 o    3.433000      0.5367000       3.207000 0.7748000       3.658000      0.7428000     -0.4512000       1.073000
  1 1 1      34    7   11 o    1.855000      0.5296000       2.288000 0.8200000       1.423000      0.6704000      0.8647000       1.059000
  1 1 1      34    7   12 o    3.147000      0.7133000       2.825000 1.002000       3.470000       1.015000     -0.6447000       1.427000
  1 1 1      34    8    0 o    4.661000      0.5148000       4.038000 0.8204000       5.283000      0.6219000      -1.245000       1.030000
  1 1 1      34    8    1 o    2.065000      0.6082000       2.016000 0.8524000       2.114000      0.8677000     -0.9806000E-01   1.216000
  1 1 1      34    8    2 o    2.237000      0.6243000       2.237000 0.8835000       2.237000      0.8824000      0.1121000E-03   1.249000
  1 1 1      34    8    3 o    5.156000      0.4319000       4.981000 0.6246000       5.332000      0.5967000     -0.3507000      0.8638000
  1 1 1      34    8    4 o    3.185000      0.6165000       2.819000 0.9094000       3.550000      0.8326000     -0.7308000       1.233000
  1 1 1      34    8    5 o    3.340000      0.5921000       3.768000 0.7719000       2.912000      0.8980000      0.8561000       1.184000
  1 1 1      34    8    6 o    4.519000      0.5012000       3.946000 0.7980000       5.092000      0.6067000      -1.146000       1.002000
  1 1 1      34    8    7 o    6.806000      0.3328000       6.298000 0.4856000       7.313000      0.4552000      -1.015000      0.6656000
  1 1 1      34    8    8 o    5.851000      0.3627000       5.982000 0.4944000       5.720000      0.5307000      0.2620000      0.7253000
  1 1 1      34    8    9 o    7.785000      0.3064000       7.944000 0.4121000       7.627000      0.4536000      0.3171000      0.6128000
  1 1 1      34    8   10 o    4.119000      0.4728000       4.130000 0.6458000       4.108000      0.6908000      0.2107000E-01  0.9456000
  1 1 1      34    8   11 o    5.093000      0.3952000       5.453000 0.5063000       4.732000      0.6070000      0.7208000      0.7904000
  1 1 1      34    8   12 o    2.572000      0.7165000       2.547000 1.021000       2.597000       1.005000     -0.5026000E-01   1.433000
  1 1 1      34    8   13 o    2.192000      0.5263000       1.452000 0.6706000       2.932000      0.8112000      -1.481000       1.053000
  1 1 1      34    9    0 o    2.053000      0.5906000       1.559000 0.7347000       2.547000      0.9250000     -0.9879000       1.181000
  1 1 1      34    9    1 o    5.187000      0.4592000       4.841000 0.6864000       5.532000      0.6101000     -0.6902000      0.9184000
  1 1 1      34    9    2 o    3.349000      0.6092000       3.752000 0.8156000       2.945000      0.9051000      0.8066000       1.218000
  1 1 1      34    9    3 o    6.582000      0.3678000       6.620000 0.5039000       6.544000      0.5359000      0.7628000E-01  0.7356000
  1 1 1      34    9    4 o    3.587000      0.5791000       2.702000 0.9128000       4.473000      0.7127000      -1.771000       1.158000
  1 1 1      34    9    5 o    2.586000      0.6263000       2.207000 0.8737000       2.964000      0.8976000     -0.7570000       1.253000
  1 1 1      34    9    6 o    3.317000      0.6028000       3.703000 0.7821000       2.930000      0.9175000      0.7728000       1.206000
  1 1 1      34    9    7 o    8.046000      0.3073000       8.003000 0.4314000       8.088000      0.4378000     -0.8465000E-01  0.6147000
  1 1 1      34    9    8 o    5.012000      0.4260000       5.095000 0.5781000       4.929000      0.6257000      0.1659000      0.8519000
  1 1 1      34    9    9 f    6.186000      0.3511000       6.577000 0.4547000       5.795000      0.5350000      0.7812000      0.7021000
  1 1 1      34    9   10 o    5.712000      0.3632000       5.958000 0.4703000       5.466000      0.5537000      0.4911000      0.7265000
  1 1 1      34    9   11 o    6.021000      0.3487000       5.982000 0.4852000       6.060000      0.5010000     -0.7799000E-01  0.6974000
  1 1 1      34    9   12 o    2.184000      0.6618000       2.309000 0.9603000       2.059000      0.9108000      0.2501000       1.324000
  1 1 1      34    9   13 o    2.957000      0.5718000       2.814000 0.8163000       3.100000      0.8009000     -0.2853000       1.144000
  1 1 1      34    9   14 o    2.223000      0.8073000                  ?       ?   2.223000      0.8073000                  ?              ?
  1 1 1      34   10    0 o    3.262000      0.6605000       3.183000 0.9462000       3.341000      0.9218000     -0.1578000       1.321000
  1 1 1      34   10    1 o    3.051000      0.6618000       2.823000 0.9655000       3.279000      0.9054000     -0.4564000       1.324000
  1 1 1      34   10    2 o    2.264000      0.6002000       1.717000 0.7753000       2.812000      0.9164000      -1.095000       1.200000
  1 1 1      34   10    3 o    5.002000      0.4685000       4.420000 0.7083000       5.584000      0.6135000      -1.164000      0.9370000
  1 1 1      34   10    4 o    2.913000      0.6426000       3.088000 0.8956000       2.739000      0.9218000      0.3496000       1.285000
  1 1 1      34   10    5 o    3.084000      0.6031000       3.579000 0.7990000       2.590000      0.9035000      0.9882000       1.206000
  1 1 1      34   10    6 f    2.155000      0.6047000       2.220000 0.8468000       2.090000      0.8636000      0.1303000       1.209000
  1 1 1      34   10    7 o    5.510000      0.3980000       5.124000 0.5694000       5.895000      0.5563000     -0.7703000      0.7961000
  1 1 1      34   10    8 o    2.931000      0.6045000       3.356000 0.8128000       2.505000      0.8949000      0.8517000       1.209000
  1 1 1      34   10    9 o    5.282000      0.4071000       5.143000 0.5593000       5.421000      0.5917000     -0.2782000      0.8142000
  1 1 1      34   10   10 o    5.036000      0.4170000       4.521000 0.6242000       5.552000      0.5532000      -1.031000      0.8341000
  1 1 1      34   10   11 o    2.861000      0.5835000       2.174000 0.8449000       3.548000      0.8049000      -1.374000       1.167000
  1 1 1      34   10   12 o    3.008000      0.7192000       3.175000 1.032000       2.842000       1.002000      0.3323000       1.438000
  1 1 1      34   10   13 o    1.848000      0.5325000       2.117000 0.7905000       1.578000      0.7136000      0.5390000       1.065000
  1 1 1      34   10   14 o    2.584000      0.6633000       2.669000 0.9172000       2.499000      0.9585000      0.1692000       1.327000
  1 1 1      34   11    0 o    1.836000      0.5838000       1.699000 0.7916000       1.972000      0.8584000     -0.2730000       1.168000
  1 1 1      34   11    1 o    4.915000      0.5186000       4.723000 0.7632000       5.107000      0.7022000     -0.3843000       1.037000
  1 1 1      34   11    2 o    3.771000      0.6283000       3.395000 0.9409000       4.147000      0.8329000     -0.7520000       1.257000
  1 1 1      34   11    3 o    2.963000      0.6730000       2.960000 0.9388000       2.966000      0.9645000     -0.5589000E-02   1.346000
  1 1 1      34   11    4 o    4.188000      0.5715000       4.307000 0.8000000       4.069000      0.8165000      0.2376000       1.143000
  1 1 1      34   11    5 o    3.083000      0.6459000       2.971000 0.9125000       3.195000      0.9145000     -0.2233000       1.292000
  1 1 1      34   11    6 f    2.556000      0.6415000       2.424000 0.9073000       2.688000      0.9072000     -0.2636000       1.283000
  1 1 1      34   11    7 o    1.898000      0.5779000       1.684000 0.7619000       2.113000      0.8692000     -0.4296000       1.156000
  1 1 1      34   11    8 o    4.455000      0.4981000       4.861000 0.6414000       4.048000      0.7622000      0.8126000      0.9962000
  1 1 1      34   11    9 f    4.681000      0.4694000       5.205000 0.5814000       4.158000      0.7372000       1.047000      0.9389000
  1 1 1      34   11   10 o    5.380000      0.4000000       5.768000 0.5198000       4.993000      0.6080000      0.7754000      0.7999000
  1 1 1      34   11   11 o    2.224000      0.5973000       2.077000 0.8368000       2.371000      0.8525000     -0.2936000       1.195000
  1 1 1      34   11   12 o    3.183000      0.7021000       3.859000 1.015000       2.508000      0.9703000       1.351000       1.404000
  1 1 1      34   11   13 o    1.902000      0.5502000       1.691000 0.7462000       2.114000      0.8086000     -0.4222000       1.100000
  1 1 1      34   11   14 o    2.205000      0.6215000       2.517000 0.9212000       1.894000      0.8347000      0.6230000       1.243000
  1 1 1      34   11   15 o    2.341000      0.9540000                  ?       ?   2.341000      0.9540000                  ?              ?
  1 1 1      34   12    0 o    4.070000      0.6299000       4.285000 0.8595000       3.855000      0.9209000      0.4296000       1.260000
  1 1 1      34   12    1 o    10.17000      0.3212000       9.945000 0.4692000       10.40000      0.4388000     -0.4556000      0.6425000
  1 1 1      34   12    2 o    4.063000      0.6162000       4.594000 0.8137000       3.532000      0.9257000       1.062000       1.232000
  1 1 1      34   12    3 o    2.610000      0.6191000       3.465000 0.9416000       1.754000      0.8040000       1.711000       1.238000
  1 1 1      34   12    4 o    3.015000      0.6330000       2.237000 0.9206000       3.794000      0.8691000      -1.558000       1.266000
  1 1 1      34   12    5 o    1.680000      0.5497000       1.851000 0.8340000       1.509000      0.7161000      0.3428000       1.099000
  1 1 1      34   12    6 o    5.271000      0.4441000       5.320000 0.6285000       5.221000      0.6276000      0.9947000E-01  0.8882000
  1 1 1      34   12    7 o    4.497000      0.5158000       4.512000 0.7120000       4.482000      0.7465000      0.3015000E-01   1.032000
  1 1 1      34   12    8 o    7.201000      0.3343000       6.875000 0.4885000       7.527000      0.4564000     -0.6519000      0.6686000
  1 1 1      34   12    9 f    5.600000      0.3989000       5.970000 0.5316000       5.230000      0.5948000      0.7394000      0.7977000
  1 1 1      34   12   10 o    4.635000      0.4617000       4.536000 0.6627000       4.733000      0.6429000     -0.1969000      0.9233000
  1 1 1      34   12   11 o    2.009000      0.5697000       2.419000 0.8716000       1.599000      0.7339000      0.8204000       1.139000
  1 1 1      34   12   12 o    2.038000      0.6387000       2.103000 0.9301000       1.972000      0.8756000      0.1304000       1.277000
  1 1 1      34   12   13 o    2.588000      0.6025000       2.679000 0.8470000       2.496000      0.8572000      0.1833000       1.205000
  1 1 1      34   12   14 o    3.363000      0.5051000       2.662000 0.7959000       4.065000      0.6222000      -1.402000       1.010000
  1 1 1      34   12   15 f    2.823000      0.6923000       3.227000 0.9942000       2.419000      0.9636000      0.8078000       1.385000
  1 1 1      34   13    0 o    4.512000      0.6012000       3.947000 0.9277000       5.077000      0.7648000      -1.130000       1.202000
  1 1 1      34   13    1 o    7.143000      0.3921000       7.633000 0.5351000       6.653000      0.5733000      0.9797000      0.7843000
  1 1 1      34   13    2 o    4.243000      0.5978000       4.463000 0.8501000       4.023000      0.8408000      0.4398000       1.196000
  1 1 1      34   13    3 o    3.120000      0.6771000       3.634000 0.9677000       2.607000      0.9474000       1.027000       1.354000
  1 1 1      34   13    4 o    6.524000      0.3978000       6.539000 0.5742000       6.509000      0.5508000      0.3050000E-01  0.7957000
  1 1 1      34   13    5 f    4.268000      0.5544000       3.985000 0.8515000       4.551000      0.7103000     -0.5660000       1.109000
  1 1 1      34   13    6 o    5.315000      0.4524000       5.021000 0.6644000       5.609000      0.6142000     -0.5879000      0.9048000
  1 1 1      34   13    7 o    2.763000      0.6487000       2.979000 0.9013000       2.547000      0.9333000      0.4319000       1.297000
  1 1 1      34   13    8 o    4.124000      0.5346000       4.620000 0.6624000       3.628000      0.8392000      0.9930000       1.069000
  1 1 1      34   13    9 f    2.484000      0.6086000       1.962000 0.8317000       3.006000      0.8889000      -1.044000       1.217000
  1 1 1      34   13   10 o    2.576000      0.5828000       1.855000 0.8022000       3.296000      0.8457000      -1.441000       1.166000
  1 1 1      34   13   11 o    2.432000      0.5324000       3.462000 0.8259000       1.402000      0.6719000       2.060000       1.065000
  1 1 1      34   13   12 o    2.484000      0.7079000       2.463000 1.013000       2.505000      0.9887000     -0.4162000E-01   1.416000
  1 1 1      34   13   13 o    1.904000      0.5688000       1.804000 0.7859000       2.004000      0.8225000     -0.1996000       1.138000
  1 1 1      34   13   14 o    2.428000      0.5327000       1.565000 0.7191000       3.292000      0.7862000      -1.726000       1.065000
  1 1 1      34   13   15 o    2.900000      0.7161000       2.806000 1.013000       2.994000       1.012000     -0.1881000       1.432000
  1 1 1      34   14    0 o    10.25000      0.3310000       10.02000 0.4792000       10.47000      0.4566000     -0.4410000      0.6619000
  1 1 1      34   14    1 o    6.691000      0.4216000       6.813000 0.5936000       6.568000      0.5988000      0.2454000      0.8431000
  1 1 1      34   14    2 o    5.054000      0.5086000       4.928000 0.7474000       5.181000      0.6899000     -0.2536000       1.017000
  1 1 1      34   14    3 o    7.390000      0.3606000       7.868000 0.5030000       6.912000      0.5167000      0.9558000      0.7211000
  1 1 1      34   14    4 o    6.108000      0.4158000       6.515000 0.5701000       5.702000      0.6054000      0.8135000      0.8316000
  1 1 1      34   14    5 o    2.703000      0.6617000       2.969000 0.9565000       2.438000      0.9146000      0.5306000       1.323000
  1 1 1      34   14    6 o    6.270000      0.3760000       6.449000 0.5121000       6.090000      0.5507000      0.3592000      0.7520000
  1 1 1      34   14    7 o    2.315000      0.6250000       2.046000 0.8478000       2.585000      0.9187000     -0.5386000       1.250000
  1 1 1      34   14    8 o    2.644000      0.6354000       2.371000 0.8727000       2.917000      0.9237000     -0.5462000       1.271000
  1 1 1      34   14    9 o    2.703000      0.6368000       2.465000 0.8906000       2.941000      0.9104000     -0.4762000       1.274000
  1 1 1      34   14   10 o    2.757000      0.6268000       2.540000 0.8797000       2.974000      0.8930000     -0.4337000       1.254000
  1 1 1      34   14   11 o    3.157000      0.6235000       3.348000 0.8729000       2.967000      0.8904000      0.3815000       1.247000
  1 1 1      34   14   12 o    6.025000      0.5595000       5.067000 0.9331000       6.984000      0.6176000      -1.917000       1.119000
  1 1 1      34   14   13 o    2.199000      0.5804000       2.268000 0.8145000       2.131000      0.8271000      0.1369000       1.161000
  1 1 1      34   14   14 o    4.200000      0.4527000       4.380000 0.6333000       4.021000      0.6470000      0.3583000      0.9053000
  1 1 1      34   14   15 o    3.034000      0.6468000       2.150000 0.9232000       3.918000      0.9061000      -1.768000       1.294000
  1 1 1      34   15    0 o    9.356000      0.3363000       10.33000 0.4576000       8.383000      0.4929000       1.946000      0.6725000
  1 1 1      34   15    1 o    5.249000      0.5054000       5.565000 0.7103000       4.933000      0.7190000      0.6321000       1.011000
  1 1 1      34   15    2 o    6.138000      0.4231000       6.315000 0.5983000       5.961000      0.5986000      0.3546000      0.8463000
  1 1 1      34   15    3 o    8.389000      0.3338000       8.789000 0.4635000       7.988000      0.4804000      0.8011000      0.6676000
  1 1 1      34   15    4 o    2.956000      0.6682000       3.461000 0.9452000       2.450000      0.9449000       1.011000       1.336000
  1 1 1      34   15    5 o    3.333000      0.6348000       2.884000 0.9665000       3.781000      0.8233000     -0.8972000       1.270000
  1 1 1      34   15    6 o    2.964000      0.5434000       1.631000 0.7605000       4.298000      0.7765000      -2.667000       1.087000
  1 1 1      34   15    7 o    5.084000      0.4696000       4.944000 0.6672000       5.224000      0.6609000     -0.2800000      0.9392000
  1 1 1      34   15    8 o    2.272000      0.6289000       2.188000 0.8747000       2.356000      0.9038000     -0.1678000       1.258000
  1 1 1      34   15    9 o    4.495000      0.4983000       4.208000 0.7438000       4.781000      0.6632000     -0.5728000      0.9965000
  1 1 1      34   15   10 o    6.321000      0.3686000       5.814000 0.5566000       6.829000      0.4834000      -1.015000      0.7373000
  1 1 1      34   15   11 o    2.709000      0.6249000       2.259000 0.8982000       3.159000      0.8689000     -0.9004000       1.250000
  1 1 1      34   15   12 o    4.237000      0.7076000       4.341000 1.077000       4.133000      0.9185000      0.2076000       1.415000
  1 1 1      34   15   13 o    6.214000      0.4898000       6.645000 0.7138000       5.784000      0.6709000      0.8617000      0.9796000
  1 1 1      34   15   14 o    6.815000      0.3255000       6.865000 0.4692000       6.764000      0.4513000      0.1009000      0.6510000
  1 1 1      34   15   15 o    1.971000      0.5533000       2.263000 0.8245000       1.679000      0.7380000      0.5845000       1.107000
  1 1 1      34   16    0 o    6.519000      0.4302000       6.813000 0.5964000       6.224000      0.6200000      0.5892000      0.8604000
  1 1 1      34   16    1 o    3.953000      0.6377000       3.349000 0.9834000       4.558000      0.8120000      -1.210000       1.275000
  1 1 1      34   16    2 o    3.093000      0.6950000       3.062000 1.018000       3.124000      0.9468000     -0.6251000E-01   1.390000
  1 1 1      34   16    3 o    6.096000      0.4226000       6.061000 0.6150000       6.130000      0.5797000     -0.6905000E-01  0.8451000
  1 1 1      34   16    4 o    5.132000      0.5003000       5.414000 0.6827000       4.850000      0.7316000      0.5643000       1.001000
  1 1 1      34   16    5 f    2.387000      0.6384000       2.882000 0.9597000       1.892000      0.8422000      0.9896000       1.277000
  1 1 1      34   16    6 o    2.595000      0.6458000       2.138000 0.8823000       3.051000      0.9432000     -0.9127000       1.292000
  1 1 1      34   16    7 o    3.308000      0.6337000       3.525000 0.8551000       3.091000      0.9356000      0.4342000       1.267000
  1 1 1      34   16    8 o    4.532000      0.5114000       4.590000 0.7097000       4.474000      0.7366000      0.1159000       1.023000
  1 1 1      34   16    9 o    3.876000      0.5841000       3.829000 0.8326000       3.923000      0.8194000     -0.9308000E-01   1.168000
  1 1 1      34   16   10 o    3.655000      0.5895000       3.313000 0.8968000       3.997000      0.7654000     -0.6838000       1.179000
  1 1 1      34   16   11 o    4.349000      0.5141000       3.704000 0.8395000       4.994000      0.5936000      -1.290000       1.028000
  1 1 1      34   16   12 o    2.871000      0.6285000       3.311000 0.9072000       2.431000      0.8700000      0.8804000       1.257000
  1 1 1      34   16   13 o    10.02000      0.3934000       9.440000 0.6075000       10.59000      0.5000000      -1.150000      0.7868000
  1 1 1      34   16   14 o    2.940000      0.5932000       2.928000 0.8444000       2.952000      0.8335000     -0.2352000E-01   1.186000
  1 1 1      34   16   15 o    3.865000      0.5099000       3.941000 0.7141000       3.789000      0.7280000      0.1524000       1.020000
  1 1 1      34   17    0 o    6.686000      0.5936000       5.760000 0.9246000       7.612000      0.7446000      -1.852000       1.187000
  1 1 1      34   17    1 o    5.672000      0.4884000       5.399000 0.7282000       5.946000      0.6512000     -0.5470000      0.9769000
  1 1 1      34   17    2 o    2.637000      0.6742000       3.148000 1.010000       2.126000      0.8930000       1.022000       1.348000
  1 1 1      34   17    3 o    3.393000      0.6683000       3.303000 0.9841000       3.483000      0.9045000     -0.1805000       1.337000
  1 1 1      34   17    4 o    4.914000      0.5149000       5.190000 0.7022000       4.637000      0.7531000      0.5532000       1.030000
  1 1 1      34   17    5 o    6.213000      0.4140000       6.019000 0.5974000       6.407000      0.5733000     -0.3880000      0.8280000
  1 1 1      34   17    6 o    6.868000      0.3848000       6.598000 0.5742000       7.139000      0.5125000     -0.5402000      0.7696000
  1 1 1      34   17    7 o    3.088000      0.6611000       3.120000 0.9264000       3.056000      0.9434000      0.6325000E-01   1.322000
  1 1 1      34   17    8 o    3.611000      0.6106000       2.850000 0.9619000       4.372000      0.7524000      -1.521000       1.221000
  1 1 1      34   17    9 o    2.557000      0.6331000       3.084000 0.9335000       2.030000      0.8555000       1.055000       1.266000
  1 1 1      34   17   10 o    3.635000      0.5843000       2.862000 0.9417000       4.409000      0.6922000      -1.548000       1.169000
  1 1 1      34   17   11 o    6.639000      0.3573000       6.832000 0.5191000       6.446000      0.4911000      0.3863000      0.7146000
  1 1 1      34   17   12 o    3.826000      0.5630000       4.237000 0.7842000       3.414000      0.8080000      0.8231000       1.126000
  1 1 1      34   17   13 o    6.862000      0.3363000       6.821000 0.5093000       6.903000      0.4393000     -0.8220000E-01  0.6726000
  1 1 1      34   17   14 o    2.545000      0.7055000       2.820000 1.048000       2.270000      0.9445000      0.5496000       1.411000
  1 1 1      34   17   15 o    5.453000      0.3891000       4.845000 0.6158000       6.061000      0.4758000      -1.216000      0.7782000
  1 1 1      34   18    0 o    4.310000      0.7962000       3.407000 1.182000       5.213000       1.067000      -1.806000       1.592000
  1 1 1      34   18    1 o    3.486000      0.6437000       2.582000 0.9853000       4.391000      0.8286000      -1.810000       1.287000
  1 1 1      34   18    2 o    3.496000      0.6715000       3.007000 1.018000       3.985000      0.8765000     -0.9781000       1.343000
  1 1 1      34   18    3 o    2.135000      0.6320000       1.846000 0.8406000       2.425000      0.9438000     -0.5785000       1.264000
  1 1 1      34   18    4 o    4.898000      0.5162000       5.313000 0.6796000       4.483000      0.7773000      0.8296000       1.032000
  1 1 1      34   18    5 o    9.840000      0.3187000       9.725000 0.4649000       9.955000      0.4360000     -0.2293000      0.6374000
  1 1 1      34   18    6 o    9.570000      0.3159000       9.157000 0.4701000       9.983000      0.4222000     -0.8252000      0.6318000
  1 1 1      34   18    7 o    3.764000      0.6179000       3.491000 0.9338000       4.036000      0.8095000     -0.5458000       1.236000
  1 1 1      34   18    8 o    4.230000      0.5564000       4.322000 0.7948000       4.139000      0.7788000      0.1829000       1.113000
  1 1 1      34   18    9 o    2.652000      0.6657000       2.755000 0.9643000       2.549000      0.9181000      0.2057000       1.331000
  1 1 1      34   18   10 f    2.620000      0.6489000       3.003000 0.9712000       2.237000      0.8609000      0.7664000       1.298000
  1 1 1      34   18   11 o    4.272000      0.5392000       4.997000 0.6965000       3.546000      0.8234000       1.451000       1.078000
  1 1 1      34   18   12 f    2.446000      0.6156000       2.026000 0.8671000       2.867000      0.8741000     -0.8411000       1.231000
  1 1 1      34   18   13 o    3.892000      0.5591000       3.310000 0.9115000       4.474000      0.6479000      -1.164000       1.118000
  1 1 1      34   18   14 o    2.985000      0.7291000       2.865000 1.066000       3.104000      0.9945000     -0.2389000       1.458000
  1 1 1      34   18   15 o    5.663000      0.5611000       4.552000 0.9483000       6.773000      0.6002000      -2.221000       1.122000
  1 1 1      34   19    0 o    4.591000      0.7893000       4.072000 1.166000       5.111000       1.065000      -1.039000       1.579000
  1 1 1      34   19    1 o    1.986000      0.6649000       1.738000 0.8486000       2.235000       1.024000     -0.4968000       1.330000
  1 1 1      34   19    2 o    7.155000      0.4117000       7.268000 0.6000000       7.042000      0.5638000      0.2261000      0.8233000
  1 1 1      34   19    3 o    5.150000      0.5428000       4.780000 0.8554000       5.520000      0.6684000     -0.7403000       1.086000
  1 1 1      34   19    4 o    3.495000      0.6815000       3.402000 1.010000       3.589000      0.9156000     -0.1874000       1.363000
  1 1 1      34   19    5 o    6.451000      0.4126000       6.754000 0.5745000       6.148000      0.5922000      0.6054000      0.8251000
  1 1 1      34   19    6 o    6.249000      0.4159000       6.526000 0.5828000       5.971000      0.5935000      0.5550000      0.8318000
  1 1 1      34   19    7 f    5.628000      0.4376000       5.463000 0.6787000       5.792000      0.5526000     -0.3289000      0.8752000
  1 1 1      34   19    8 o    5.559000      0.4380000       6.161000 0.5938000       4.957000      0.6439000       1.204000      0.8759000
  1 1 1      34   19    9 f    1.701000      0.5540000       1.676000 0.7844000       1.725000      0.7825000     -0.4894000E-01   1.108000
  1 1 1      34   19   10 o    2.667000      0.6397000       2.231000 0.9142000       3.104000      0.8951000     -0.8736000       1.279000
  1 1 1      34   19   11 o    2.380000      0.6261000       2.883000 0.9534000       1.877000      0.8119000       1.007000       1.252000
  1 1 1      34   19   12 o    4.057000      0.5543000       2.958000 0.9395000       5.155000      0.5884000      -2.196000       1.109000
  1 1 1      34   19   13 o    3.799000      0.5645000       2.973000 0.9428000       4.626000      0.6211000      -1.653000       1.129000
  1 1 1      34   19   14 o    2.923000      0.6046000       2.456000 0.9100000       3.391000      0.7964000     -0.9353000       1.209000
  1 1 1      34   20    0 o    2.587000      0.6917000       2.946000 1.033000       2.227000      0.9199000      0.7193000       1.383000
  1 1 1      34   20    1 o    2.975000      0.8132000       2.554000 1.088000       3.396000       1.209000     -0.8414000       1.626000
  1 1 1      34   20    2 o    3.853000      0.6373000       3.217000 1.009000       4.489000      0.7788000      -1.272000       1.275000
  1 1 1      34   20    3 o    3.218000      0.7074000       3.447000 1.039000       2.989000      0.9601000      0.4579000       1.415000
  1 1 1      34   20    4 o    3.697000      0.6579000       4.492000 0.8974000       2.903000      0.9624000       1.589000       1.316000
  1 1 1      34   20    5 f    8.729000      0.3434000       8.544000 0.5035000       8.914000      0.4670000     -0.3694000      0.6867000
  1 1 1      34   20    6 o    6.225000      0.4122000       6.028000 0.6144000       6.422000      0.5498000     -0.3940000      0.8245000
  1 1 1      34   20    7 o    5.731000      0.4463000       5.625000 0.6858000       5.838000      0.5714000     -0.2129000      0.8926000
  1 1 1      34   20    8 o    3.980000      0.6005000       3.889000 0.8974000       4.072000      0.7981000     -0.1832000       1.201000
  1 1 1      34   20    9 o    3.468000      0.5859000       4.682000 0.7593000       2.255000      0.8924000       2.427000       1.172000
  1 1 1      34   20   10 o    1.997000      0.6000000       2.154000 0.8872000       1.839000      0.8081000      0.3152000       1.200000
  1 1 1      34   20   11 o    1.962000      0.5944000       1.962000 0.8463000       1.962000      0.8349000      0.4771000E-03   1.189000
  1 1 1      34   20   12 o    1.834000      0.5701000       2.080000 0.8734000       1.588000      0.7331000      0.4916000       1.140000
  1 1 1      34   20   13 o    4.589000      0.4836000       4.788000 0.6867000       4.389000      0.6811000      0.3992000      0.9672000
  1 1 1      34   20   14 o    2.184000      0.5946000       2.725000 0.9245000       1.644000      0.7481000       1.080000       1.189000
  1 1 1      34   21    0 o    2.706000      0.7038000       2.936000 1.031000       2.476000      0.9584000      0.4593000       1.408000
  1 1 1      34   21    1 f    3.599000      0.7582000       4.041000 1.183000       3.157000      0.9485000      0.8836000       1.516000
  1 1 1      34   21    2 o    2.760000      0.8044000       2.226000 1.012000       3.294000       1.251000      -1.068000       1.609000
  1 1 1      34   21    3 f    4.391000      0.6013000       4.233000 0.9200000       4.549000      0.7745000     -0.3158000       1.203000
  1 1 1      34   21    4 o    7.228000      0.3915000       7.178000 0.5616000       7.279000      0.5455000     -0.1018000      0.7829000
  1 1 1      34   21    5 o    7.391000      0.3888000       7.454000 0.5590000       7.329000      0.5406000      0.1245000      0.7776000
  1 1 1      34   21    6 o    1.996000      0.6110000       2.282000 0.9362000       1.709000      0.7852000      0.5726000       1.222000
  1 1 1      34   21    7 o    2.589000      0.6777000       2.698000 0.9741000       2.481000      0.9425000      0.2171000       1.355000
  1 1 1      34   21    8 o    2.127000      0.6252000       2.302000 0.9286000       1.952000      0.8375000      0.3507000       1.250000
  1 1 1      34   21    9 o    5.681000      0.4399000       5.185000 0.6861000       6.176000      0.5506000     -0.9912000      0.8797000
  1 1 1      34   21   10 o    3.150000      0.6336000       3.711000 0.8775000       2.590000      0.9143000       1.121000       1.267000
  1 1 1      34   21   11 o    2.363000      0.5878000       1.608000 0.7522000       3.119000      0.9034000      -1.511000       1.176000
  1 1 1      34   21   12 o    2.394000      0.6389000       2.340000 0.9136000       2.448000      0.8934000     -0.1085000       1.278000
  1 1 1      34   21   13 o    2.939000      0.6369000       2.720000 0.9451000       3.158000      0.8542000     -0.4379000       1.274000
  1 1 1      34   21   14 f    2.134000      0.6714000       2.494000 1.045000       1.775000      0.8439000      0.7190000       1.343000
  1 1 1      34   22    0 o    4.872000      0.5047000       5.226000 0.6821000       4.518000      0.7441000      0.7080000       1.009000
  1 1 1      34   22    1 o    7.718000      0.3868000       7.478000 0.5770000       7.958000      0.5154000     -0.4807000      0.7737000
  1 1 1      34   22    2 o    2.639000      0.7985000       2.337000 1.038000       2.940000       1.214000     -0.6034000       1.597000
  1 1 1      34   22    3 o    3.074000      0.8514000       2.836000 1.149000       3.313000       1.257000     -0.4773000       1.703000
  1 1 1      34   22    4 o    3.130000      0.6531000       2.450000 0.9664000       3.811000      0.8789000      -1.360000       1.306000
  1 1 1      34   22    5 o    4.091000      0.6097000       4.295000 0.8565000       3.886000      0.8680000      0.4086000       1.219000
  1 1 1      34   22    6 o    4.246000      0.5884000       3.509000 0.9647000       4.983000      0.6740000      -1.474000       1.177000
  1 1 1      34   22    7 o    2.954000      0.6837000       2.871000 0.9931000       3.037000      0.9399000     -0.1658000       1.367000
  1 1 1      34   22    8 o    2.287000      0.6424000       2.519000 0.9526000       2.055000      0.8620000      0.4637000       1.285000
  1 1 1      34   22    9 o    3.337000      0.6558000       3.150000 0.9693000       3.523000      0.8836000     -0.3730000       1.312000
  1 1 1      34   22   10 o    5.648000      0.4455000       5.049000 0.7213000       6.247000      0.5233000      -1.198000      0.8911000
  1 1 1      34   22   11 f    3.797000      0.5885000       4.137000 0.8290000       3.458000      0.8355000      0.6791000       1.177000
  1 1 1      34   22   12 o    1.916000      0.5910000       2.058000 0.8734000       1.775000      0.7965000      0.2827000       1.182000
  1 1 1      34   22   13 o    2.223000      0.6260000       2.289000 0.9091000       2.157000      0.8609000      0.1316000       1.252000
  1 1 1      34   23    0 o    2.368000      0.7253000       2.833000 1.150000       1.903000      0.8843000      0.9303000       1.451000
  1 1 1      34   23    1 o    6.151000      0.4624000       5.591000 0.7065000       6.711000      0.5968000      -1.120000      0.9249000
  1 1 1      34   23    2 o    3.080000      0.6623000       3.920000 0.9326000       2.240000      0.9406000       1.679000       1.325000
  1 1 1      34   23    3 o    2.799000      0.8126000       2.706000 1.128000       2.891000       1.170000     -0.1849000       1.625000
  1 1 1      34   23    4 o    4.537000      0.7747000       3.380000 1.199000       5.694000      0.9811000      -2.314000       1.549000
  1 1 1      34   23    5 o    3.075000      0.6857000       3.158000 0.9888000       2.991000      0.9503000      0.1670000       1.371000
  1 1 1      34   23    6 o    2.704000      0.6415000       2.015000 0.8874000       3.394000      0.9265000      -1.378000       1.283000
  1 1 1      34   23    7 o    2.415000      0.6635000       2.306000 0.9434000       2.524000      0.9332000     -0.2182000       1.327000
  1 1 1      34   23    8 o    2.999000      0.6637000       3.235000 0.9602000       2.763000      0.9164000      0.4727000       1.327000
  1 1 1      34   23    9 o    4.180000      0.5615000       4.589000 0.7918000       3.772000      0.7962000      0.8171000       1.123000
  1 1 1      34   23   10 o    5.447000      0.4496000       5.222000 0.6995000       5.672000      0.5651000     -0.4505000      0.8993000
  1 1 1      34   23   11 o    2.579000      0.6549000       2.856000 0.9672000       2.302000      0.8833000      0.5539000       1.310000
  1 1 1      34   23   12 o    2.344000      0.6226000       2.021000 0.8657000       2.666000      0.8950000     -0.6444000       1.245000
  1 1 1      34   24    0 o    2.285000      0.6646000       2.057000 0.9070000       2.514000      0.9716000     -0.4576000       1.329000
  1 1 1      34   24    1 o    5.611000      0.6979000       4.797000 1.138000       6.425000      0.8086000      -1.628000       1.396000
  1 1 1      34   24    2 o    2.250000      0.6508000       2.263000 0.9179000       2.238000      0.9229000      0.2454000E-01   1.302000
  1 1 1      34   24    3 o    3.434000      0.6503000       4.142000 0.8779000       2.726000      0.9596000       1.416000       1.301000
  1 1 1      34   24    4 o    3.318000      0.7854000       4.163000 1.151000       2.472000       1.069000       1.691000       1.571000
  1 1 1      34   24    5 o    5.283000      0.7167000       5.514000 0.9510000       5.052000       1.072000      0.4623000       1.433000
  1 1 1      34   24    6 o    2.121000      0.6318000       1.965000 0.8717000       2.278000      0.9149000     -0.3135000       1.264000
  1 1 1      34   24    7 o    3.787000      0.6433000       3.788000 0.9388000       3.786000      0.8797000      0.2359000E-02   1.287000
  1 1 1      34   24    8 o    2.555000      0.6702000       2.488000 0.9617000       2.623000      0.9337000     -0.1345000       1.340000
  1 1 1      34   24    9 o    3.962000      0.6022000       3.943000 0.8996000       3.980000      0.8006000     -0.3619000E-01   1.204000
  1 1 1      34   24   10 o    2.085000      0.6047000       1.737000 0.8048000       2.432000      0.9028000     -0.6949000       1.209000
  1 1 1      34   24   11 o    3.073000      0.6453000       3.690000 0.9329000       2.455000      0.8919000       1.235000       1.291000
  1 1 1      34   25    0 o    4.040000      0.6459000       3.388000 1.024000       4.691000      0.7871000      -1.303000       1.292000
  1 1 1      34   25    1 o    4.078000      0.6251000       3.392000 0.9698000       4.763000      0.7892000      -1.371000       1.250000
  1 1 1      34   25    2 o    2.261000      0.7164000       2.234000 1.024000       2.288000       1.002000     -0.5395000E-01   1.433000
  1 1 1      34   25    3 o    2.833000      0.6600000       2.716000 0.9131000       2.949000      0.9531000     -0.2328000       1.320000
  1 1 1      34   25    4 o    3.134000      0.6999000       3.282000 1.020000       2.985000      0.9584000      0.2972000       1.400000
  1 1 1      34   25    5 o    4.492000      0.5502000       4.907000 0.7218000       4.078000      0.8305000      0.8295000       1.100000
  1 1 1      34   25    6 o    2.741000      0.7796000       2.180000 0.9899000       3.301000       1.205000      -1.121000       1.559000
  1 1 1      34   25    7 o    2.612000      0.6407000       2.258000 0.9365000       2.966000      0.8747000     -0.7075000       1.281000
  1 1 1      34   25    8 o    2.015000      0.6162000       2.016000 0.8842000       2.015000      0.8585000      0.1180000E-02   1.232000
  1 1 1      34   25    9 o    1.936000      0.5993000       1.816000 0.8328000       2.056000      0.8619000     -0.2398000       1.199000
  1 1 1      34   25   10 o    2.357000      0.6085000       3.231000 0.9915000       1.483000      0.7057000       1.748000       1.217000
  1 1 1      34   26    0 o    1.818000      0.5916000       1.789000 0.8326000       1.847000      0.8408000     -0.5742000E-01   1.183000
  1 1 1      34   26    1 o    3.033000      0.6892000       3.548000 1.003000       2.518000      0.9449000       1.030000       1.378000
  1 1 1      34   26    2 o    4.894000      0.5765000       4.466000 0.9058000       5.322000      0.7135000     -0.8555000       1.153000
  1 1 1      34   26    3 o    6.463000      0.6230000       5.721000 1.016000       7.205000      0.7210000      -1.484000       1.246000
  1 1 1      34   26    4 o    2.684000      0.7772000       2.443000 1.093000       2.925000       1.106000     -0.4816000       1.554000
  1 1 1      34   26    5 o    1.988000      0.6173000       1.857000 0.8533000       2.119000      0.8923000     -0.2616000       1.235000
  1 1 1      34   26    6 o    2.195000      0.6447000       2.501000 0.9769000       1.889000      0.8416000      0.6122000       1.289000
  1 1 1      34   26    7 o    3.404000      0.8313000       3.633000 1.205000       3.175000       1.146000      0.4578000       1.663000
  1 1 1      34   26    8 o    2.036000      0.6703000       2.097000 0.9687000       1.975000      0.9267000      0.1228000       1.341000
  1 1 1      34   26    9 o    3.130000      0.6964000       2.085000 0.9056000       4.175000       1.058000      -2.090000       1.393000
  1 1 1      34   27    0 o    3.707000      0.6933000       4.062000 0.9985000       3.352000      0.9621000      0.7105000       1.387000
  1 1 1      34   27    1 f    3.709000      0.7035000       3.891000 1.030000       3.527000      0.9583000      0.3641000       1.407000
  1 1 1      34   27    2 o    3.750000      0.6870000       3.750000 1.004000       3.750000      0.9380000     -0.5631000E-03   1.374000
  1 1 1      34   27    3 o    2.226000      0.6628000       2.374000 0.9799000       2.078000      0.8927000      0.2963000       1.326000
  1 1 1      34   27    4 o    3.888000      0.7455000       2.941000 1.206000       4.835000      0.8772000      -1.894000       1.491000
  1 1 1      34   27    5 o    2.724000      0.7686000       2.671000 1.142000       2.777000       1.028000     -0.1058000       1.537000
  1 1 1      34   27    6 o    2.864000      0.6934000       3.050000 1.029000       2.678000      0.9292000      0.3717000       1.387000
  1 1 1      34   27    7 o    2.111000      0.6716000       1.722000 0.8032000       2.500000       1.077000     -0.7783000       1.343000
  1 1 1      34   28    0 o    2.305000      0.6685000       2.283000 0.9703000       2.326000      0.9200000     -0.4273000E-01   1.337000
  1 1 1      34   28    1 o    3.045000      0.6947000       2.447000 1.006000       3.642000      0.9578000      -1.195000       1.389000
  1 1 1      34   28    2 o    2.343000      0.6748000       2.711000 1.036000       1.975000      0.8656000      0.7352000       1.350000
  1 1 1      34   28    3 f    2.311000      0.6728000       2.390000 0.9766000       2.232000      0.9257000      0.1582000       1.346000
  1 1 1      34   28    4 f    3.707000      0.8289000       3.139000 1.234000       4.275000       1.108000      -1.136000       1.658000
  1 1 1      35    4    0 o    2.632000      0.7293000       2.003000 0.9218000       3.262000       1.131000      -1.260000       1.459000
  1 1 1      35    4    1 o    4.313000      0.7332000       3.898000 1.080000       4.729000      0.9918000     -0.8314000       1.466000
  1 1 1      35    5    0 o    3.377000      0.6033000       3.020000 0.8869000       3.735000      0.8181000     -0.7157000       1.207000
  1 1 1      35    5    1 o    5.324000      0.3986000       5.421000 0.5389000       5.227000      0.5876000      0.1932000      0.7973000
  1 1 1      35    5    2 o    2.777000      0.6958000       3.329000 1.007000       2.224000      0.9610000       1.105000       1.392000
  1 1 1      35    5    3 o    4.094000      0.5163000       4.972000 0.5801000       3.216000      0.8542000       1.756000       1.033000
  1 1 1      35    5    4 o    3.834000      0.5322000       4.569000 0.6093000       3.099000      0.8727000       1.470000       1.064000
  1 1 1      35    5    5 o    2.548000      0.6208000       2.683000 0.8521000       2.413000      0.9030000      0.2692000       1.242000
  1 1 1      35    6    0 o    3.300000      0.6202000       3.222000 0.8835000       3.379000      0.8706000     -0.1572000       1.240000
  1 1 1      35    6    1 o    3.551000      0.7077000       3.880000 0.9521000       3.222000       1.047000      0.6581000       1.415000
  1 1 1      35    6    2 f    4.572000      0.6105000       3.764000 0.9507000       5.379000      0.7661000      -1.615000       1.221000
  1 1 1      35    6    3 o    4.040000      0.5199000       4.434000 0.6582000       3.647000      0.8051000      0.7863000       1.040000
  1 1 1      35    6    4 o    2.043000      0.5397000       2.780000 0.8702000       1.307000      0.6385000       1.473000       1.079000
  1 1 1      35    6    5 o    3.358000      0.5479000       4.197000 0.6497000       2.520000      0.8823000       1.677000       1.096000
  1 1 1      35    6    6 o    3.556000      0.5458000       4.312000 0.6448000       2.799000      0.8807000       1.513000       1.092000
  1 1 1      35    6    7 f    5.971000      0.3505000       6.215000 0.4604000       5.726000      0.5286000      0.4891000      0.7010000
  1 1 1      35    7    0 o    2.498000      0.6505000       2.466000 0.9221000       2.530000      0.9178000     -0.6432000E-01   1.301000
  1 1 1      35    7    1 o    2.735000      0.7250000       2.373000 0.9719000       3.096000       1.076000     -0.7238000       1.450000
  1 1 1      35    7    2 o    4.481000      0.5027000       4.687000 0.6866000       4.275000      0.7344000      0.4120000       1.005000
  1 1 1      35    7    3 o    2.106000      0.6033000       2.231000 0.8746000       1.980000      0.8314000      0.2509000       1.207000
  1 1 1      35    7    4 o    3.051000      0.6068000       3.111000 0.8426000       2.991000      0.8735000      0.1196000       1.214000
  1 1 1      35    7    5 o    2.625000      0.6023000       3.127000 0.8519000       2.124000      0.8518000       1.003000       1.205000
  1 1 1      35    7    6 o    1.745000      0.5454000       1.679000 0.7483000       1.811000      0.7936000     -0.1316000       1.091000
  1 1 1      35    7    7 o    1.990000      0.5763000       2.137000 0.8288000       1.843000      0.8009000      0.2943000       1.153000
  1 1 1      35    7    8 o    5.177000      0.3968000       4.671000 0.5968000       5.683000      0.5231000      -1.013000      0.7936000
  1 1 1      35    8    0 o    2.971000      0.6854000       2.688000 1.046000       3.254000      0.8866000     -0.5662000       1.371000
  1 1 1      35    8    1 o    8.001000      0.4415000       8.857000 0.5593000       7.144000      0.6832000       1.713000      0.8829000
  1 1 1      35    8    2 o    5.620000      0.4129000       5.481000 0.5917000       5.759000      0.5761000     -0.2777000      0.8259000
  1 1 1      35    8    3 o    2.029000      0.5986000       1.930000 0.8266000       2.129000      0.8661000     -0.1990000       1.197000
  1 1 1      35    8    4 o    4.588000      0.4665000       4.704000 0.6231000       4.472000      0.6946000      0.2315000      0.9331000
  1 1 1      35    8    5 o    2.254000      0.6025000       2.635000 0.8905000       1.874000      0.8117000      0.7604000       1.205000
  1 1 1      35    8    6 o    1.943000      0.5605000       1.512000 0.7038000       2.374000      0.8726000     -0.8618000       1.121000
  1 1 1      35    8    7 o    5.640000      0.3784000       5.316000 0.5495000       5.964000      0.5203000     -0.6481000      0.7568000
  1 1 1      35    8    8 o    8.232000      0.2931000       8.179000 0.4168000       8.284000      0.4123000     -0.1051000      0.5863000
  1 1 1      35    8    9 o    3.696000      0.5317000       4.130000 0.6864000       3.263000      0.8123000      0.8675000       1.063000
  1 1 1      35    8   10 o    2.325000      0.6939000       2.262000 0.9848000       2.389000      0.9777000     -0.1263000       1.388000
  1 1 1      35    9    0 o    6.032000      0.5348000       5.920000 0.7672000       6.145000      0.7453000     -0.2257000       1.070000
  1 1 1      35    9    1 o    5.806000      0.4964000       5.806000 0.4964000                  ?              ?              ?              ?
  1 1 1      35    9    2 o    2.745000      0.6600000       2.766000 0.9197000       2.725000      0.9469000      0.4075000E-01   1.320000
  1 1 1      35    9    3 o    3.180000      0.6441000       3.206000 0.8932000       3.155000      0.9283000      0.5123000E-01   1.288000
  1 1 1      35    9    4 f    4.820000      0.4634000       5.197000 0.6019000       4.443000      0.7047000      0.7542000      0.9267000
  1 1 1      35    9    5 f    2.185000      0.6055000       1.904000 0.8233000       2.467000      0.8882000     -0.5629000       1.211000
  1 1 1      35    9    6 o    3.774000      0.5583000       3.409000 0.8145000       4.140000      0.7638000     -0.7309000       1.117000
  1 1 1      35    9    7 o    3.816000      0.5433000       4.190000 0.6757000       3.442000      0.8510000      0.7480000       1.087000
  1 1 1      35    9    8 o    1.886000      0.5700000       1.916000 0.8046000       1.857000      0.8076000      0.5856000E-01   1.140000
  1 1 1      35    9    9 o    6.166000      0.3498000       6.100000 0.4980000       6.231000      0.4915000     -0.1309000      0.6997000
  1 1 1      35    9   10 o    3.004000      0.5829000       3.229000 0.7849000       2.778000      0.8620000      0.4513000       1.166000
  1 1 1      35   10    0 o    2.489000      0.7252000       2.544000 1.031000       2.434000       1.020000      0.1104000       1.450000
  1 1 1      35   10    1 o    1.725000      0.5568000       1.808000 0.8071000       1.642000      0.7671000      0.1658000       1.114000
  1 1 1      35   10    2 o    5.158000      0.4531000       4.611000 0.6809000       5.705000      0.5979000      -1.094000      0.9061000
  1 1 1      35   10    3 o    5.174000      0.4553000       4.964000 0.6369000       5.385000      0.6506000     -0.4213000      0.9105000
  1 1 1      35   10    4 o    2.151000      0.6198000       2.275000 0.8867000       2.026000      0.8661000      0.2487000       1.240000
  1 1 1      35   10    5 o    2.813000      0.5566000       1.721000 0.7793000       3.905000      0.7949000      -2.184000       1.113000
  1 1 1      35   10    6 f    2.317000      0.6162000       1.979000 0.8290000       2.654000      0.9117000     -0.6747000       1.232000
  1 1 1      35   10    7 o    4.672000      0.4912000       4.184000 0.7260000       5.161000      0.6618000     -0.9764000      0.9823000
  1 1 1      35   10    8 o    5.360000      0.4103000       4.911000 0.6018000       5.810000      0.5578000     -0.8990000      0.8206000
  1 1 1      35   10    9 o    8.356000      0.2976000       8.505000 0.4113000       8.207000      0.4302000      0.2978000      0.5952000
  1 1 1      35   10   10 o    2.117000      0.5908000       1.994000 0.8076000       2.240000      0.8626000     -0.2457000       1.182000
  1 1 1      35   10   11 o    1.600000      0.5114000       1.791000 0.7736000       1.409000      0.6691000      0.3819000       1.023000
  1 1 1      35   11    0 o    2.858000      0.7604000       2.763000 1.070000       2.952000       1.081000     -0.1898000       1.521000
  1 1 1      35   11    1 o    2.511000      0.6655000       2.695000 0.9592000       2.327000      0.9227000      0.3681000       1.331000
  1 1 1      35   11    2 o    4.348000      0.5650000       4.381000 0.7789000       4.315000      0.8186000      0.6581000E-01   1.130000
  1 1 1      35   11    3 o    5.279000      0.4615000       5.564000 0.6119000       4.994000      0.6910000      0.5700000      0.9230000
  1 1 1      35   11    4 o    2.871000      0.6654000       3.194000 0.9380000       2.548000      0.9439000      0.6453000       1.331000
  1 1 1      35   11    5 o    2.501000      0.6373000       2.262000 0.8890000       2.741000      0.9134000     -0.4786000       1.275000
  1 1 1      35   11    6 o    3.222000      0.6257000       3.558000 0.8452000       2.885000      0.9228000      0.6730000       1.251000
  1 1 1      35   11    7 o    6.813000      0.3465000       6.881000 0.4758000       6.745000      0.5038000      0.1360000      0.6930000
  1 1 1      35   11    8 o    3.773000      0.5630000       3.845000 0.7835000       3.702000      0.8086000      0.1437000       1.126000
  1 1 1      35   11    9 o    3.153000      0.5969000       3.288000 0.8257000       3.017000      0.8621000      0.2708000       1.194000
  1 1 1      35   11   10 o    2.833000      0.6085000       2.986000 0.8463000       2.679000      0.8747000      0.3067000       1.217000
  1 1 1      35   11   11 o    3.674000      0.5200000       4.121000 0.6313000       3.227000      0.8265000      0.8939000       1.040000
  1 1 1      35   11   12 o    2.337000      0.6496000       2.752000 1.012000       1.923000      0.8146000      0.8284000       1.299000
  1 1 1      35   12    0 o    8.765000      0.4570000       8.752000 0.6420000       8.779000      0.6505000     -0.2676000E-01  0.9140000
  1 1 1      35   12    1 o    2.525000      0.6384000       3.105000 0.9502000       1.944000      0.8529000       1.161000       1.277000
  1 1 1      35   12    2 o    7.748000      0.3580000       8.331000 0.4871000       7.165000      0.5248000       1.166000      0.7160000
  1 1 1      35   12    3 o    4.565000      0.5342000       4.810000 0.7196000       4.321000      0.7898000      0.4887000       1.068000
  1 1 1      35   12    4 o    2.768000      0.6479000       3.303000 0.9429000       2.233000      0.8887000       1.071000       1.296000
  1 1 1      35   12    5 f    2.388000      0.6215000       1.866000 0.8261000       2.910000      0.9289000      -1.044000       1.243000
  1 1 1      35   12    6 o    2.333000      0.6312000       2.440000 0.9012000       2.227000      0.8840000      0.2125000       1.262000
  1 1 1      35   12    7 f    5.096000      0.4506000       4.440000 0.6902000       5.752000      0.5793000      -1.312000      0.9011000
  1 1 1      35   12    8 o    2.523000      0.6190000       2.937000 0.8953000       2.109000      0.8549000      0.8280000       1.238000
  1 1 1      35   12    9 o    3.172000      0.5583000       4.199000 0.6972000       2.146000      0.8723000       2.053000       1.117000
  1 1 1      35   12   10 o    1.677000      0.5333000       1.724000 0.7643000       1.631000      0.7441000      0.9245000E-01   1.067000
  1 1 1      35   12   11 o    2.631000      0.6124000       2.705000 0.8618000       2.558000      0.8703000      0.1475000       1.225000
  1 1 1      35   12   12 o    2.458000      0.6042000       2.633000 0.8687000       2.282000      0.8400000      0.3507000       1.208000
  1 1 1      35   13    0 o    4.385000      0.7917000       4.996000 1.060000       3.775000       1.177000       1.220000       1.583000
  1 1 1      35   13    1 f    3.164000      0.6891000       2.907000 1.005000       3.421000      0.9427000     -0.5142000       1.378000
  1 1 1      35   13    2 o    4.682000      0.5391000       4.872000 0.7479000       4.491000      0.7765000      0.3812000       1.078000
  1 1 1      35   13    3 o    2.629000      0.6469000       3.258000 0.9591000       2.000000      0.8682000       1.258000       1.294000
  1 1 1      35   13    4 o    3.974000      0.6094000       4.057000 0.8671000       3.890000      0.8564000      0.1671000       1.219000
  1 1 1      35   13    5 o    2.978000      0.6621000       3.079000 0.9424000       2.877000      0.9304000      0.2016000       1.324000
  1 1 1      35   13    6 o    2.548000      0.6440000       2.313000 0.9025000       2.783000      0.9189000     -0.4701000       1.288000
  1 1 1      35   13    7 o    2.723000      0.6559000       2.711000 0.9141000       2.735000      0.9410000     -0.2448000E-01   1.312000
  1 1 1      35   13    8 o    4.100000      0.5393000       4.009000 0.7676000       4.191000      0.7578000     -0.1819000       1.079000
  1 1 1      35   13    9 o    3.265000      0.6339000       3.550000 0.8470000       2.979000      0.9433000      0.5704000       1.268000
  1 1 1      35   13   10 o    2.332000      0.6166000       2.369000 0.8845000       2.295000      0.8592000      0.7450000E-01   1.233000
  1 1 1      35   13   11 o    2.389000      0.5380000       3.317000 0.8225000       1.462000      0.6938000       1.855000       1.076000
  1 1 1      35   13   12 o    1.982000      0.5782000       2.097000 0.8340000       1.867000      0.8011000      0.2299000       1.156000
  1 1 1      35   14    0 o    3.380000      0.8092000       3.174000 1.139000       3.587000       1.150000     -0.4139000       1.618000
  1 1 1      35   14    1 o    2.633000      0.6380000       3.472000 0.9836000       1.794000      0.8127000       1.677000       1.276000
  1 1 1      35   14    2 o    2.358000      0.6501000       2.100000 0.8990000       2.615000      0.9392000     -0.5144000       1.300000
  1 1 1      35   14    3 o    3.116000      0.6742000       2.973000 0.9603000       3.259000      0.9466000     -0.2865000       1.348000
  1 1 1      35   14    4 o    4.272000      0.5617000       4.706000 0.7316000       3.838000      0.8526000      0.8678000       1.123000
  1 1 1      35   14    5 o    5.154000      0.4538000       5.371000 0.6270000       4.936000      0.6562000      0.4347000      0.9076000
  1 1 1      35   14    6 o    4.735000      0.4916000       4.582000 0.7365000       4.888000      0.6513000     -0.3067000      0.9832000
  1 1 1      35   14    7 o    2.777000      0.6442000       3.066000 0.9112000       2.488000      0.9108000      0.5776000       1.288000
  1 1 1      35   14    8 o    5.747000      0.4074000       5.571000 0.5893000       5.923000      0.5629000     -0.3522000      0.8149000
  1 1 1      35   14    9 o    5.906000      0.3931000       5.380000 0.6010000       6.432000      0.5069000      -1.052000      0.7862000
  1 1 1      35   14   10 o    1.972000      0.5844000       1.850000 0.8035000       2.095000      0.8489000     -0.2451000       1.169000
  1 1 1      35   14   11 o    1.752000      0.5495000       1.660000 0.7595000       1.844000      0.7944000     -0.1845000       1.099000
  1 1 1      35   14   12 o    3.381000      0.5710000       3.605000 0.7934000       3.157000      0.8215000      0.4477000       1.142000
  1 1 1      35   15    0 f    3.105000      0.7822000       3.859000 1.172000       2.351000       1.036000       1.508000       1.564000
  1 1 1      35   15    1 o    2.638000      0.6671000       2.468000 0.9485000       2.808000      0.9383000     -0.3402000       1.334000
  1 1 1      35   15    2 o    3.225000      0.6651000       3.105000 0.9584000       3.344000      0.9226000     -0.2383000       1.330000
  1 1 1      35   15    3 o    1.809000      0.5744000       2.096000 0.8887000       1.522000      0.7279000      0.5748000       1.149000
  1 1 1      35   15    4 o    2.393000      0.6513000       2.355000 0.9147000       2.431000      0.9275000     -0.7569000E-01   1.303000
  1 1 1      35   15    5 o    4.616000      0.5191000       4.857000 0.7151000       4.375000      0.7526000      0.4827000       1.038000
  1 1 1      35   15    6 o    2.531000      0.6609000       2.491000 0.9396000       2.570000      0.9298000     -0.7852000E-01   1.322000
  1 1 1      35   15    7 o    1.588000      0.5278000       1.550000 0.7360000       1.627000      0.7567000     -0.7731000E-01   1.056000
  1 1 1      35   15    8 o    2.503000      0.6595000       2.609000 0.9532000       2.396000      0.9116000      0.2132000       1.319000
  1 1 1      35   15    9 o    5.204000      0.4480000       5.291000 0.6239000       5.118000      0.6430000      0.1726000      0.8959000
  1 1 1      35   15   10 o    5.922000      0.3940000       6.031000 0.5610000       5.813000      0.5534000      0.2179000      0.7880000
  1 1 1      35   15   11 o    3.585000      0.5652000       2.769000 0.9046000       4.401000      0.6779000      -1.632000       1.130000
  1 1 1      35   15   12 o    2.537000      0.6312000       2.539000 0.9046000       2.535000      0.8804000      0.3549000E-02   1.262000
  1 1 1      35   15   13 o    2.918000      0.6984000       3.448000 1.091000       2.387000      0.8718000       1.060000       1.397000
  1 1 1      35   16    0 o    3.957000      0.8267000       3.400000 1.179000       4.515000       1.159000      -1.115000       1.653000
  1 1 1      35   16    1 o    7.930000      0.5316000       8.801000 0.7304000       7.059000      0.7726000       1.742000       1.063000
  1 1 1      35   16    2 o    7.043000      0.3811000       6.351000 0.5763000       7.735000      0.4987000      -1.384000      0.7621000
  1 1 1      35   16    3 o    2.046000      0.6175000       2.113000 0.8899000       1.979000      0.8563000      0.1347000       1.235000
  1 1 1      35   16    4 o    2.289000      0.6471000       2.382000 0.9299000       2.196000      0.9002000      0.1862000       1.294000
  1 1 1      35   16    5 o    7.730000      0.3472000       7.771000 0.5004000       7.690000      0.4816000      0.8085000E-01  0.6945000
  1 1 1      35   16    6 o    3.585000      0.6231000       4.062000 0.8346000       3.108000      0.9255000      0.9538000       1.246000
  1 1 1      35   16    7 o    2.439000      0.6430000       2.171000 0.9042000       2.707000      0.9145000     -0.5365000       1.286000
  1 1 1      35   16    8 o    3.181000      0.6417000       3.395000 0.9115000       2.966000      0.9034000      0.4291000       1.283000
  1 1 1      35   16    9 o    5.444000      0.4280000       5.107000 0.6461000       5.781000      0.5615000     -0.6739000      0.8560000
  1 1 1      35   16   10 o    5.753000      0.4091000       5.675000 0.6086000       5.831000      0.5467000     -0.1566000      0.8181000
  1 1 1      35   16   11 o    7.757000      0.3124000       7.578000 0.4670000       7.937000      0.4151000     -0.3591000      0.6248000
  1 1 1      35   16   12 o    3.461000      0.5780000       3.011000 0.9002000       3.912000      0.7251000     -0.9007000       1.156000
  1 1 1      35   16   13 o    4.009000      0.6443000       4.402000 1.010000       3.615000      0.7997000      0.7870000       1.289000
  1 1 1      35   17    0 o    2.834000      0.6841000       2.542000 0.9681000       3.126000      0.9668000     -0.5838000       1.368000
  1 1 1      35   17    1 f    3.714000      0.8176000       3.078000 1.154000       4.350000       1.159000      -1.272000       1.635000
  1 1 1      35   17    2 o    2.696000      0.6642000       2.195000 0.9210000       3.198000      0.9571000      -1.003000       1.328000
  1 1 1      35   17    3 o    4.771000      0.5279000       4.666000 0.7474000       4.877000      0.7456000     -0.2109000       1.056000
  1 1 1      35   17    4 o    6.611000      0.3906000       6.702000 0.5576000       6.519000      0.5471000      0.1832000      0.7811000
  1 1 1      35   17    5 o    7.052000      0.3854000       6.676000 0.5833000       7.427000      0.5040000     -0.7510000      0.7709000
  1 1 1      35   17    6 o    2.391000      0.6494000       2.587000 0.9439000       2.194000      0.8921000      0.3926000       1.299000
  1 1 1      35   17    7 o    2.917000      0.6622000       2.612000 0.9735000       3.221000      0.8981000     -0.6093000       1.324000
  1 1 1      35   17    8 o    3.205000      0.6294000       2.618000 0.9481000       3.792000      0.8280000      -1.175000       1.259000
  1 1 1      35   17    9 o    4.442000      0.5229000       4.509000 0.7564000       4.375000      0.7223000      0.1339000       1.046000
  1 1 1      35   17   10 o    3.077000      0.6327000       2.697000 0.9487000       3.458000      0.8373000     -0.7613000       1.265000
  1 1 1      35   17   11 o    4.014000      0.5332000       3.632000 0.8444000       4.396000      0.6513000     -0.7642000       1.066000
  1 1 1      35   17   12 o    2.154000      0.6113000       2.206000 0.8885000       2.102000      0.8397000      0.1046000       1.223000
  1 1 1      35   17   13 o    4.950000       1.038000                  ?       ?   4.950000       1.038000                  ?              ?
  1 1 1      35   18    0 o    6.858000      0.4068000       6.289000 0.6018000       7.427000      0.5476000      -1.139000      0.8137000
  1 1 1      35   18    1 o    4.472000      0.8144000       4.144000 1.221000       4.801000       1.078000     -0.6575000       1.629000
  1 1 1      35   18    2 o    5.714000      0.4295000       5.784000 0.6376000       5.643000      0.5757000      0.1411000      0.8590000
  1 1 1      35   18    3 o    5.249000      0.4904000       5.158000 0.7079000       5.340000      0.6788000     -0.1824000      0.9808000
  1 1 1      35   18    4 o    2.953000      0.6688000       3.405000 0.9500000       2.500000      0.9416000      0.9047000       1.338000
  1 1 1      35   18    5 o    2.962000      0.6719000       2.686000 0.9883000       3.237000      0.9106000     -0.5511000       1.344000
  1 1 1      35   18    6 o    2.827000      0.6499000       2.469000 0.9417000       3.186000      0.8959000     -0.7169000       1.300000
  1 1 1      35   18    7 o    2.746000      0.6672000       2.655000 0.9804000       2.838000      0.9053000     -0.1825000       1.334000
  1 1 1      35   18    8 o    1.641000      0.5337000       1.986000 0.8580000       1.296000      0.6349000      0.6903000       1.067000
  1 1 1      35   18    9 o    3.103000      0.6493000       3.032000 0.9528000       3.174000      0.8823000     -0.1423000       1.299000
  1 1 1      35   18   10 o    4.241000      0.5382000       3.610000 0.8744000       4.872000      0.6279000      -1.262000       1.076000
  1 1 1      35   18   11 o    3.857000      0.5532000       4.008000 0.7991000       3.706000      0.7652000      0.3022000       1.106000
  1 1 1      35   18   12 o    3.278000      0.6065000       2.998000 0.9255000       3.558000      0.7841000     -0.5601000       1.213000
  1 1 1      35   19    0 f    5.734000      0.4603000       5.826000 0.6474000       5.641000      0.6544000      0.1849000      0.9205000
  1 1 1      35   19    1 o    5.882000      0.5854000       5.548000 1.025000       6.216000      0.5663000     -0.6681000       1.171000
  1 1 1      35   19    2 o    4.261000      0.8034000       5.111000 1.098000       3.412000       1.173000       1.699000       1.607000
  1 1 1      35   19    3 o    2.454000      0.6538000       2.023000 0.8935000       2.885000      0.9546000     -0.8611000       1.308000
  1 1 1      35   19    4 o    2.434000      0.6610000       2.831000 0.9952000       2.037000      0.8702000      0.7945000       1.322000
  1 1 1      35   19    5 o    3.371000      0.6598000       3.826000 0.9045000       2.915000      0.9608000      0.9112000       1.320000
  1 1 1      35   19    6 o    2.101000      0.6286000       2.307000 0.9418000       1.895000      0.8326000      0.4122000       1.257000
  1 1 1      35   19    7 o    2.446000      0.6565000       2.346000 0.9462000       2.545000      0.9104000     -0.1987000       1.313000
  1 1 1      35   19    8 o    3.124000      0.6748000       3.112000 1.000000       3.135000      0.9057000     -0.2375000E-01   1.350000
  1 1 1      35   19    9 o    3.533000      0.6180000       3.024000 0.9915000       4.042000      0.7380000      -1.018000       1.236000
  1 1 1      35   19   10 o    2.805000      0.6492000       2.514000 0.9433000       3.096000      0.8923000     -0.5819000       1.298000
  1 1 1      35   19   11 o    2.955000      0.6459000       3.387000 0.9235000       2.524000      0.9033000      0.8631000       1.292000
  1 1 1      35   19   12 o    2.483000      0.6204000       3.023000 0.9240000       1.943000      0.8282000       1.080000       1.241000
  1 1 1      35   20    0 o    1.789000      0.5875000       1.826000 0.8455000       1.753000      0.8160000      0.7384000E-01   1.175000
  1 1 1      35   20    1 o    6.280000      0.4390000       6.719000 0.6142000       5.841000      0.6274000      0.8774000      0.8780000
  1 1 1      35   20    2 o    2.640000      0.7864000       2.934000 1.178000       2.345000       1.042000      0.5886000       1.573000
  1 1 1      35   20    3 o    3.126000      0.8412000       3.332000 1.242000       2.920000       1.135000      0.4120000       1.682000
  1 1 1      35   20    4 o    3.808000      0.6493000       3.481000 0.9998000       4.135000      0.8286000     -0.6531000       1.299000
  1 1 1      35   20    5 o    2.327000      0.5923000       1.556000 0.7503000       3.098000      0.9167000      -1.541000       1.185000
  1 1 1      35   20    6 o    2.755000      0.6834000       2.762000 1.012000       2.748000      0.9181000      0.1353000E-01   1.367000
  1 1 1      35   20    7 o    1.763000      0.5697000       1.927000 0.8634000       1.599000      0.7436000      0.3284000       1.139000
  1 1 1      35   20    8 o    3.971000      0.5999000       3.785000 0.9475000       4.157000      0.7362000     -0.3721000       1.200000
  1 1 1      35   20    9 o    2.319000      0.6420000       2.667000 0.9662000       1.971000      0.8456000      0.6962000       1.284000
  1 1 1      35   20   10 o    5.699000      0.4272000       5.279000 0.6475000       6.119000      0.5575000     -0.8401000      0.8544000
  1 1 1      35   20   11 o    2.854000      0.5919000       3.786000 0.8485000       1.923000      0.8254000       1.863000       1.184000
  1 1 1      35   20   12 o    2.872000       1.092000                  ?       ?   2.872000       1.092000                  ?              ?
  1 1 1      35   21    0 o    3.638000      0.7541000       2.569000 1.129000       4.707000      0.9995000      -2.138000       1.508000
  1 1 1      35   21    1 o    2.653000      0.6564000       2.061000 0.9143000       3.244000      0.9420000      -1.183000       1.313000
  1 1 1      35   21    2 o    2.325000      0.6678000       2.670000 1.023000       1.979000      0.8594000      0.6912000       1.336000
  1 1 1      35   21    3 o    2.887000      0.8096000       2.961000 1.178000       2.812000       1.111000      0.1489000       1.619000
  1 1 1      35   21    4 f    3.255000      0.6877000       3.341000 1.035000       3.169000      0.9057000      0.1714000       1.375000
  1 1 1      35   21    5 o    2.793000      0.6555000       3.547000 0.9885000       2.038000      0.8611000       1.509000       1.311000
  1 1 1      35   21    6 o    2.620000      0.6867000       2.788000 1.008000       2.452000      0.9329000      0.3355000       1.373000
  1 1 1      35   21    7 o    2.388000      0.6641000       2.551000 0.9834000       2.225000      0.8929000      0.3256000       1.328000
  1 1 1      35   21    8 o    6.318000      0.4087000       6.080000 0.6201000       6.556000      0.5324000     -0.4759000      0.8173000
  1 1 1      35   21    9 o    2.751000      0.6701000       2.750000 0.9722000       2.752000      0.9226000     -0.2347000E-02   1.340000
  1 1 1      35   21   10 o    4.332000      0.5247000       4.660000 0.7073000       4.004000      0.7752000      0.6560000       1.049000
  1 1 1      35   21   11 o    2.768000      0.6195000       2.203000 0.9030000       3.333000      0.8483000      -1.129000       1.239000
  1 1 1      35   22    0 o    5.237000      0.7228000       4.400000 1.215000       6.074000      0.7836000      -1.675000       1.446000
  1 1 1      35   22    1 o    2.904000      0.7833000       2.437000 1.094000       3.371000       1.122000     -0.9345000       1.567000
  1 1 1      35   22    2 o    3.533000      0.6813000       3.173000 1.044000       3.893000      0.8755000     -0.7206000       1.363000
  1 1 1      35   22    3 o    2.434000      0.6521000       2.792000 0.9733000       2.077000      0.8680000      0.7147000       1.304000
  1 1 1      35   22    4 o    4.323000      0.7956000       4.394000 1.128000       4.252000       1.122000      0.1416000       1.591000
  1 1 1      35   22    5 o    5.524000      0.4695000       5.820000 0.6676000       5.227000      0.6603000      0.5938000      0.9390000
  1 1 1      35   22    6 o    2.701000      0.6729000       2.373000 0.9628000       3.028000      0.9403000     -0.6550000       1.346000
  1 1 1      35   22    7 o    2.750000      0.6296000       3.622000 0.9451000       1.877000      0.8322000       1.745000       1.259000
  1 1 1      35   22    8 o    6.778000      0.3754000       6.778000 0.5518000       6.778000      0.5091000     -0.2575000E-04  0.7508000
  1 1 1      35   22    9 o    2.419000      0.6503000       2.777000 0.9735000       2.061000      0.8626000      0.7161000       1.301000
  1 1 1      35   22   10 o    5.181000      0.4692000       4.861000 0.7225000       5.500000      0.5989000     -0.6382000      0.9384000
  1 1 1      35   23    0 o    2.036000      0.6326000       2.157000 0.9342000       1.915000      0.8531000      0.2424000       1.265000
  1 1 1      35   23    1 o    3.247000      0.8271000       3.037000 1.224000       3.457000       1.113000     -0.4205000       1.654000
  1 1 1      35   23    2 o    2.795000      0.7889000       2.709000 1.140000       2.881000       1.091000     -0.1718000       1.578000
  1 1 1      35   23    3 o    2.944000      0.6788000       3.529000 1.003000       2.359000      0.9149000       1.170000       1.358000
  1 1 1      35   23    4 o    4.332000      0.6897000       4.680000 1.104000       3.984000      0.8277000      0.6961000       1.379000
  1 1 1      35   23    5 o    3.499000      0.8242000       3.673000 1.176000       3.324000       1.155000      0.3485000       1.648000
  1 1 1      35   23    6 o    2.649000      0.6807000       2.802000 0.9950000       2.497000      0.9292000      0.3043000       1.361000
  1 1 1      35   23    7 o    2.349000      0.6212000       3.056000 0.9843000       1.642000      0.7582000       1.414000       1.242000
  1 1 1      35   23    8 o    3.709000      0.6395000       3.277000 0.9908000       4.142000      0.8089000     -0.8648000       1.279000
  1 1 1      35   23    9 o    2.503000      0.6386000       2.058000 0.8815000       2.948000      0.9242000     -0.8900000       1.277000
  1 1 1      35   24    0 o    2.464000      0.6572000       1.935000 0.8802000       2.994000      0.9761000      -1.059000       1.314000
  1 1 1      35   24    1 o    2.553000      0.6894000       2.408000 0.9765000       2.698000      0.9734000     -0.2897000       1.379000
  1 1 1      35   24    2 o    3.078000      0.7685000       2.442000 1.070000       3.714000       1.103000      -1.273000       1.537000
  1 1 1      35   24    3 o    1.884000      0.6254000       2.207000 1.022000       1.561000      0.7206000      0.6455000       1.251000
  1 1 1      35   24    4 o    2.169000      0.6413000       1.982000 0.8871000       2.357000      0.9264000     -0.3752000       1.283000
  1 1 1      35   24    5 o    5.190000      0.6098000       4.952000 1.046000       5.428000      0.6265000     -0.4755000       1.220000
  1 1 1      35   24    6 o    5.095000      0.6929000       5.992000 0.8519000       4.198000       1.093000       1.794000       1.386000
  1 1 1      35   24    7 o    2.181000      0.6381000       2.099000 0.9038000       2.264000      0.9010000     -0.1647000       1.276000
  1 1 1      35   24    8 o    2.312000      0.6510000       2.501000 0.9698000       2.123000      0.8689000      0.3785000       1.302000
  1 1 1      35   25    0 o    2.982000      0.6626000       3.869000 0.9769000       2.095000      0.8956000       1.774000       1.325000
  1 1 1      35   25    1 o    3.115000      0.7035000       3.101000 1.045000       3.129000      0.9427000     -0.2771000E-01   1.407000
  1 1 1      35   25    2 o    4.379000      0.6062000       4.294000 0.9263000       4.463000      0.7823000     -0.1695000       1.212000
  1 1 1      35   25    3 o    3.185000      0.8211000       3.098000 1.198000       3.272000       1.123000     -0.1736000       1.642000
  1 1 1      35   25    4 o    3.834000      0.7980000       3.194000 1.164000       4.473000       1.092000      -1.279000       1.596000
  1 1 1      35   25    5 o    3.170000      0.6845000       3.517000 0.9746000       2.823000      0.9614000      0.6936000       1.369000
  1 1 1      35   25    6 o    2.913000      0.6707000       2.492000 0.9754000       3.334000      0.9210000     -0.8419000       1.341000
  1 1 1      35   25    7 o    2.484000       1.052000                  ?       ?   2.484000       1.052000                  ?              ?
  1 1 1      35   26    0 o    2.183000      0.6530000       2.139000 0.9280000       2.226000      0.9190000     -0.8665000E-01   1.306000
  1 1 1      35   26    1 o    3.248000      0.6648000       3.966000 0.9222000       2.529000      0.9577000       1.437000       1.330000
  1 1 1      35   26    2 o    2.393000      0.6643000       2.799000 0.9987000       1.987000      0.8763000      0.8116000       1.329000
  1 1 1      35   26    3 o    3.791000      0.6461000       3.675000 0.9299000       3.907000      0.8972000     -0.2319000       1.292000
  1 1 1      35   26    4 o    4.648000       1.193000       4.648000 1.193000                  ?              ?              ?              ?
  1 1 1      36    8    0 o    3.398000      0.5808000       2.767000 0.8540000       4.028000      0.7873000      -1.261000       1.162000
  1 1 1      36    8    1 o    4.192000      0.5469000       4.385000 0.7454000       3.998000      0.8003000      0.3868000       1.094000
  1 1 1      36    8    2 o    4.163000      0.7003000       4.763000 0.9657000       3.563000       1.014000       1.200000       1.401000
  1 1 1      36    8    3 o    2.934000      0.6207000       3.357000 0.8598000       2.511000      0.8953000      0.8462000       1.241000
  1 1 1      36    9    0 o    4.050000      0.5711000       4.547000 0.7154000       3.553000      0.8905000      0.9946000       1.142000
  1 1 1      36    9    1 o    2.039000      0.5950000       1.691000 0.7712000       2.387000      0.9063000     -0.6958000       1.190000
  1 1 1      36    9    2 o    2.613000      0.6975000       2.009000 0.8992000       3.216000       1.066000      -1.207000       1.395000
  1 1 1      36    9    3 o    3.374000      0.5824000       2.703000 0.8974000       4.045000      0.7426000      -1.342000       1.165000
  1 1 1      36    9    4 o    2.245000      0.6109000       2.501000 0.8901000       1.990000      0.8370000      0.5109000       1.222000
  1 1 1      36    9    5 o    1.797000      0.5595000       1.713000 0.7700000       1.881000      0.8120000     -0.1686000       1.119000
  1 1 1      36   10    0 o    2.372000      0.6389000       2.474000 0.9096000       2.271000      0.8975000      0.2029000       1.278000
  1 1 1      36   10    1 o    3.151000      0.6654000       2.734000 1.037000       3.568000      0.8335000     -0.8349000       1.331000
  1 1 1      36   10    2 o    7.411000      0.4518000       7.572000 0.6241000       7.250000      0.6536000      0.3217000      0.9037000
  1 1 1      36   10    3 f    4.573000      0.4936000       4.640000 0.6541000       4.507000      0.7395000      0.1328000      0.9873000
  1 1 1      36   10    4 o    2.257000      0.6148000       2.080000 0.8416000       2.435000      0.8963000     -0.3552000       1.230000
  1 1 1      36   10    5 o    2.243000      0.6083000       2.028000 0.8322000       2.459000      0.8874000     -0.4314000       1.217000
  1 1 1      36   10    6 o    2.480000      0.5917000       3.034000 0.8473000       1.927000      0.8263000       1.107000       1.183000
  1 1 1      36   10    7 o    2.420000      0.6532000       3.389000 1.106000       1.450000      0.6959000       1.939000       1.306000
  1 1 1      36   11    0 o    5.649000      0.4314000       5.325000 0.6393000       5.974000      0.5793000     -0.6487000      0.8627000
  1 1 1      36   11    1 o    6.759000      0.5109000       6.852000 0.6980000       6.665000      0.7463000      0.1872000       1.022000
  1 1 1      36   11    2 o    11.80000      0.4005000       11.80000 0.5525000       11.80000      0.5799000      0.1317000E-02  0.8009000
  1 1 1      36   11    3 o    5.996000      0.3970000       5.886000 0.5544000       6.107000      0.5684000     -0.2209000      0.7940000
  1 1 1      36   11    4 o    1.792000      0.5611000       1.941000 0.8287000       1.644000      0.7567000      0.2967000       1.122000
  1 1 1      36   11    5 o    2.814000      0.6034000       3.352000 0.8233000       2.276000      0.8824000       1.076000       1.207000
  1 1 1      36   11    6 o    2.396000      0.5787000       1.686000 0.7528000       3.106000      0.8790000      -1.421000       1.157000
  1 1 1      36   11    7 o    4.745000      0.4496000       4.127000 0.6773000       5.364000      0.5914000      -1.237000      0.8991000
  1 1 1      36   11    8 o    2.409000      0.7208000       2.377000 0.9942000       2.440000       1.044000     -0.6378000E-01   1.442000
  1 1 1      36   12    0 o    3.248000      0.6803000       3.196000 0.9753000       3.300000      0.9487000     -0.1042000       1.361000
  1 1 1      36   12    1 o    9.193000      0.4565000       8.940000 0.6447000       9.446000      0.6465000     -0.5062000      0.9130000
  1 1 1      36   12    2 o    6.372000      0.5802000       5.315000 0.9291000       7.429000      0.6952000      -2.114000       1.160000
  1 1 1      36   12    3 o    3.829000      0.6145000       4.301000 0.7919000       3.357000      0.9399000      0.9436000       1.229000
  1 1 1      36   12    4 f    3.941000      0.5729000       3.908000 0.8035000       3.973000      0.8170000     -0.6467000E-01   1.146000
  1 1 1      36   12    5 o    2.414000      0.6216000       1.883000 0.8203000       2.944000      0.9341000      -1.061000       1.243000
  1 1 1      36   12    6 o    2.091000      0.5945000       1.835000 0.8037000       2.348000      0.8764000     -0.5132000       1.189000
  1 1 1      36   12    7 o    2.141000      0.6126000       2.243000 0.8817000       2.039000      0.8506000      0.2042000       1.225000
  1 1 1      36   12    8 o    4.037000      0.5364000       4.068000 0.7321000       4.006000      0.7841000      0.6132000E-01   1.073000
  1 1 1      36   13    0 o    4.432000      0.5666000       4.341000 0.8210000       4.522000      0.7810000     -0.1809000       1.133000
  1 1 1      36   13    1 o    8.512000      0.4691000       8.515000 0.6569000       8.509000      0.6700000      0.5130000E-02  0.9383000
  1 1 1      36   13    2 o    2.849000      0.7671000       3.162000 1.113000       2.537000       1.056000      0.6251000       1.534000
  1 1 1      36   13    3 o    2.498000      0.6487000       2.891000 0.9525000       2.106000      0.8808000      0.7856000       1.297000
  1 1 1      36   13    4 o    5.572000      0.4328000       5.262000 0.6333000       5.881000      0.5900000     -0.6195000      0.8655000
  1 1 1      36   13    5 o    2.688000      0.6174000       2.048000 0.8639000       3.329000      0.8823000      -1.281000       1.235000
  1 1 1      36   13    6 o    3.279000      0.6156000       3.842000 0.8075000       2.716000      0.9293000       1.127000       1.231000
  1 1 1      36   13    7 o    5.333000      0.4261000       4.980000 0.6397000       5.685000      0.5632000     -0.7050000      0.8523000
  1 1 1      36   13    8 o    2.683000      0.5547000       1.671000 0.7583000       3.695000      0.8097000      -2.023000       1.109000
  1 1 1      36   13    9 o    1.955000      0.6195000       2.288000 0.9869000       1.623000      0.7492000      0.6654000       1.239000
  1 1 1      36   14    0 o    3.504000      0.6374000       4.253000 0.8404000       2.755000      0.9585000       1.498000       1.275000
  1 1 1      36   14    1 o    4.955000      0.7356000       4.234000 1.110000       5.676000      0.9656000      -1.442000       1.471000
  1 1 1      36   14    2 o    2.159000      0.6864000       2.299000 0.9934000       2.019000      0.9476000      0.2801000       1.373000
  1 1 1      36   14    3 o    5.442000      0.4596000       6.022000 0.5840000       4.862000      0.7099000       1.161000      0.9192000
  1 1 1      36   14    4 o    4.530000      0.5391000       4.945000 0.6895000       4.114000      0.8289000      0.8310000       1.078000
  1 1 1      36   14    5 o    2.091000      0.6126000       2.208000 0.8880000       1.974000      0.8443000      0.2342000       1.225000
  1 1 1      36   14    6 o    3.648000      0.6023000       3.726000 0.8626000       3.569000      0.8407000      0.1576000       1.205000
  1 1 1      36   14    7 o    5.204000      0.4432000       5.410000 0.6011000       4.998000      0.6514000      0.4117000      0.8863000
  1 1 1      36   14    8 o    2.909000      0.6058000       2.374000 0.8870000       3.445000      0.8254000      -1.071000       1.212000
  1 1 1      36   14    9 o    3.612000      0.5860000       3.917000 0.8078000       3.307000      0.8492000      0.6097000       1.172000
  1 1 1      36   15    0 o    4.991000      0.5041000       5.060000 0.7224000       4.923000      0.7033000      0.1371000       1.008000
  1 1 1      36   15    1 o    4.695000      0.7502000       4.550000 1.103000       4.839000       1.017000     -0.2883000       1.500000
  1 1 1      36   15    2 o    4.115000      0.8131000       4.018000 1.116000       4.213000       1.183000     -0.1958000       1.626000
  1 1 1      36   15    3 o    6.159000      0.4144000       6.043000 0.6062000       6.275000      0.5652000     -0.2319000      0.8288000
  1 1 1      36   15    4 o    4.066000      0.5913000       4.266000 0.7889000       3.866000      0.8808000      0.4001000       1.183000
  1 1 1      36   15    5 o    2.525000      0.6372000       2.946000 0.9303000       2.105000      0.8709000      0.8405000       1.274000
  1 1 1      36   15    6 o    3.887000      0.5931000       4.266000 0.7839000       3.508000      0.8902000      0.7581000       1.186000
  1 1 1      36   15    7 o    1.981000      0.5918000       1.803000 0.8020000       2.159000      0.8706000     -0.3561000       1.184000
  1 1 1      36   15    8 o    1.800000      0.5555000       2.125000 0.8630000       1.476000      0.6998000      0.6491000       1.111000
  1 1 1      36   15    9 o    4.725000      0.4721000       4.739000 0.6654000       4.711000      0.6699000      0.2794000E-01  0.9442000
  1 1 1      36   16    0 f    4.292000      0.6081000       4.434000 0.8693000       4.149000      0.8507000      0.2849000       1.216000
  1 1 1      36   16    1 o    2.709000      0.6070000       3.751000 0.9327000       1.667000      0.7770000       2.084000       1.214000
  1 1 1      36   16    2 o    3.908000      0.8113000       3.795000 1.151000       4.021000       1.143000     -0.2255000       1.623000
  1 1 1      36   16    3 o    4.154000      0.6729000       3.461000 1.149000       4.848000      0.6998000      -1.387000       1.346000
  1 1 1      36   16    4 o    4.141000      0.5832000       4.146000 0.8564000       4.137000      0.7918000      0.8682000E-02   1.166000
  1 1 1      36   16    5 o    2.083000      0.6159000       1.946000 0.8511000       2.220000      0.8904000     -0.2739000       1.232000
  1 1 1      36   16    6 o    3.062000      0.6603000       3.314000 0.9346000       2.809000      0.9330000      0.5049000       1.321000
  1 1 1      36   16    7 o    1.777000      0.5645000       1.806000 0.8134000       1.748000      0.7830000      0.5780000E-01   1.129000
  1 1 1      36   16    8 o    5.105000      0.4591000       5.111000 0.6725000       5.099000      0.6251000      0.1213000E-01  0.9182000
  1 1 1      36   16    9 o    3.291000      0.6349000       3.498000 0.9041000       3.083000      0.8917000      0.4151000       1.270000
  1 1 1      36   17    0 o    2.715000      0.6918000       2.561000 0.9865000       2.870000      0.9700000     -0.3089000       1.384000
  1 1 1      36   17    1 o    3.176000      0.6890000       3.277000 1.018000       3.076000      0.9286000      0.2016000       1.378000
  1 1 1      36   17    2 o    6.999000      0.5688000       7.573000 0.7500000       6.426000      0.8554000       1.147000       1.138000
  1 1 1      36   17    3 o    6.415000      0.4066000       6.803000 0.5572000       6.026000      0.5922000      0.7775000      0.8131000
  1 1 1      36   17    4 o    8.145000      0.3506000       7.869000 0.5189000       8.421000      0.4716000     -0.5521000      0.7012000
  1 1 1      36   17    5 o    3.605000      0.6164000       4.513000 0.7848000       2.698000      0.9508000       1.815000       1.233000
  1 1 1      36   17    6 o    4.373000      0.5535000       4.404000 0.7783000       4.343000      0.7872000      0.6173000E-01   1.107000
  1 1 1      36   17    7 o    4.998000      0.4742000       4.884000 0.7243000       5.113000      0.6122000     -0.2289000      0.9484000
  1 1 1      36   17    8 f    9.378000      0.3052000       9.457000 0.4334000       9.300000      0.4299000      0.1563000      0.6105000
  1 1 1      36   17    9 o    6.742000      0.3604000       6.431000 0.5384000       7.052000      0.4793000     -0.6209000      0.7209000
  1 1 1      36   18    0 o    4.390000      0.7606000       3.072000 1.208000       5.707000      0.9243000      -2.636000       1.521000
  1 1 1      36   18    1 o    3.667000      0.6699000       3.825000 0.9887000       3.509000      0.9043000      0.3165000       1.340000
  1 1 1      36   18    2 o    2.492000      0.7360000       2.952000 1.133000       2.031000      0.9393000      0.9210000       1.472000
  1 1 1      36   18    3 o    3.492000      0.8254000       3.054000 1.171000       3.930000       1.164000     -0.8762000       1.651000
  1 1 1      36   18    4 o    3.825000      0.6317000       4.012000 0.8927000       3.638000      0.8940000      0.3744000       1.263000
  1 1 1      36   18    5 o    2.072000      0.6231000       2.253000 0.9236000       1.892000      0.8368000      0.3606000       1.246000
  1 1 1      36   18    6 o    4.526000      0.5465000       3.713000 0.9027000       5.339000      0.6163000      -1.625000       1.093000
  1 1 1      36   18    7 o    3.847000      0.5852000       3.522000 0.9112000       4.172000      0.7345000     -0.6504000       1.170000
  1 1 1      36   18    8 o    7.304000      0.3524000       6.871000 0.5328000       7.736000      0.4613000     -0.8655000      0.7048000
  1 1 1      36   18    9 o    4.441000      0.5253000       3.878000 0.8438000       5.005000      0.6258000      -1.127000       1.051000
  1 1 1      36   19    0 o    4.510000      0.7972000       4.092000 1.218000       4.929000       1.029000     -0.8374000       1.594000
  1 1 1      36   19    1 f    3.269000      0.6863000       2.948000 1.023000       3.590000      0.9153000     -0.6413000       1.373000
  1 1 1      36   19    2 o    2.182000      0.6424000       2.437000 0.9641000       1.926000      0.8492000      0.5115000       1.285000
  1 1 1      36   19    3 o    2.575000      0.7482000       3.089000 1.157000       2.061000      0.9488000       1.027000       1.496000
  1 1 1      36   19    4 o    3.274000      0.6780000       3.037000 1.006000       3.511000      0.9094000     -0.4746000       1.356000
  1 1 1      36   19    5 o    2.221000      0.6330000       2.101000 0.8994000       2.340000      0.8908000     -0.2384000       1.266000
  1 1 1      36   19    6 o    2.169000      0.6306000       2.045000 0.8836000       2.292000      0.8999000     -0.2468000       1.261000
  1 1 1      36   19    7 o    2.268000      0.6320000       2.531000 0.9404000       2.006000      0.8446000      0.5252000       1.264000
  1 1 1      36   19    8 o    6.381000      0.3911000       6.544000 0.5633000       6.218000      0.5427000      0.3260000      0.7822000
  1 1 1      36   19    9 o    2.943000      0.7964000       3.248000 1.141000       2.638000       1.111000      0.6098000       1.593000
  1 1 1      36   20    0 o    4.107000      0.7440000       2.789000 1.136000       5.425000      0.9615000      -2.635000       1.488000
  1 1 1      36   20    1 o    3.947000      0.8152000       3.854000 1.209000       4.041000       1.094000     -0.1874000       1.630000
  1 1 1      36   20    2 o    3.197000      0.6716000       3.913000 0.9606000       2.481000      0.9388000       1.432000       1.343000
  1 1 1      36   20    3 o    3.625000      0.8219000       4.333000 1.174000       2.917000       1.150000       1.416000       1.644000
  1 1 1      36   20    4 o    2.558000      0.7616000       2.674000 1.107000       2.441000       1.046000      0.2331000       1.523000
  1 1 1      36   20    5 o    2.814000      0.6754000       3.156000 0.9901000       2.472000      0.9188000      0.6836000       1.351000
  1 1 1      36   20    6 o    4.744000      0.5209000       4.506000 0.7997000       4.981000      0.6677000     -0.4750000       1.042000
  1 1 1      36   20    7 o    4.177000      0.5813000       2.895000 0.9865000       5.460000      0.6151000      -2.564000       1.163000
  1 1 1      36   20    8 o    6.129000      0.4217000       5.505000 0.6622000       6.754000      0.5225000      -1.248000      0.8435000
  1 1 1      36   21    0 o    2.947000      0.6846000       3.688000 1.014000       2.207000      0.9201000       1.481000       1.369000
  1 1 1      36   21    1 o    3.466000      0.8130000       2.906000 1.166000       4.025000       1.133000      -1.119000       1.626000
  1 1 1      36   21    2 o    2.368000      0.6710000       2.385000 0.9718000       2.350000      0.9256000      0.3527000E-01   1.342000
  1 1 1      36   21    3 o    2.759000      0.6791000       3.116000 1.001000       2.402000      0.9176000      0.7141000       1.358000
  1 1 1      36   21    4 o    3.114000      0.8260000       3.184000 1.185000       3.045000       1.151000      0.1391000       1.652000
  1 1 1      36   21    5 o    2.406000      0.6745000       2.616000 0.9135000       2.195000      0.9927000      0.4202000       1.349000
  1 1 1      36   21    6 o    4.834000      0.5399000       4.575000 0.8282000       5.094000      0.6930000     -0.5194000       1.080000
  1 1 1      36   21    7 o    4.845000      0.5352000       4.385000 0.8438000       5.304000      0.6585000     -0.9186000       1.070000
  1 1 1      36   22    0 o    3.420000      0.7008000       3.190000 1.042000       3.650000      0.9376000     -0.4608000       1.402000
  1 1 1      36   22    1 o    3.887000      0.7968000       3.464000 1.203000       4.310000       1.046000     -0.8456000       1.594000
  1 1 1      36   22    2 o    2.860000      0.7943000       2.747000 1.136000       2.973000       1.111000     -0.2259000       1.589000
  1 1 1      36   22    3 o    3.047000      0.6855000       3.207000 0.9867000       2.886000      0.9520000      0.3208000       1.371000
  1 1 1      36   22    4 o    2.722000      0.6827000       3.155000 1.015000       2.288000      0.9139000      0.8673000       1.365000
  1 1 1      36   22    5 o    3.147000      0.7998000       3.817000 1.194000       2.477000       1.065000       1.340000       1.600000
  1 1 1      36   22    6 o    5.840000      0.4275000       5.890000 0.6300000       5.789000      0.5780000      0.1010000      0.8549000
  1 1 1      36   23    0 o    3.487000      0.7043000       3.442000 1.026000       3.532000      0.9654000     -0.8941000E-01   1.409000
  1 1 1      36   23    1 o    2.188000      0.6500000       2.069000 0.9100000       2.306000      0.9284000     -0.2378000       1.300000
  1 1 1      36   23    2 o    2.230000      0.7076000       2.463000 1.070000       1.997000      0.9263000      0.4666000       1.415000
  1 1 1      36   23    3 o    2.827000      0.7977000       2.565000 1.094000       3.089000       1.161000     -0.5235000       1.595000
  1 1 1      36   23    4 o    2.391000      0.6666000       2.643000 0.9949000       2.139000      0.8875000      0.5040000       1.333000
  1 1 1      36   23    5 o    3.316000      0.8121000       4.219000 1.230000       2.412000       1.060000       1.808000       1.624000
  1 1 1      36   24    0 o    3.123000      0.8294000       3.627000 1.236000       2.620000       1.106000       1.007000       1.659000
  1 1 1      36   24    1 o    3.471000      0.8441000       3.909000 1.212000       3.032000       1.175000      0.8769000       1.688000
  1 1 1      36   24    2 o    3.599000       1.178000                  ?       ?   3.599000       1.178000                  ?              ?
  1 1 1      37   13    0 o    4.929000       1.186000                  ?       ?   4.929000       1.186000                  ?              ?
  1 1 1      37   13    1 o    2.842000       1.110000                  ?       ?   2.842000       1.110000                  ?              ?
  1 1 1      37   14    0 o    4.405000      0.7462000       4.798000 0.9902000       4.012000       1.116000      0.7862000       1.492000
  1 1 1      37   14    1 o    1.812000      0.5767000       1.751000 0.7972000       1.873000      0.8334000     -0.1218000       1.153000
  1 1 1      37   14    2 o    3.153000      0.6551000       2.924000 0.9373000       3.383000      0.9156000     -0.4587000       1.310000
  1 1 1      37   15    0 o    3.174000      0.7311000       4.107000 1.072000       2.241000      0.9947000       1.866000       1.462000
  1 1 1      37   15    1 o    4.425000      0.5429000       4.420000 0.7481000       4.430000      0.7869000     -0.9892000E-02   1.086000
  1 1 1      37   15    2 f    2.575000      0.6531000       2.690000 0.9208000       2.461000      0.9264000      0.2293000       1.306000
  1 1 1      37   15    3 o    3.683000      0.7811000       4.172000 1.131000       3.194000       1.078000      0.9782000       1.562000
  1 1 1      37   16    0 o    2.283000      0.6973000       2.667000 1.067000       1.899000      0.8982000      0.7683000       1.395000
  1 1 1      37   16    1 o    4.617000      0.5225000       5.057000 0.6655000       4.178000      0.8056000      0.8791000       1.045000
  1 1 1      37   16    2 o    2.516000      0.6681000       2.483000 0.9548000       2.550000      0.9349000     -0.6679000E-01   1.336000
  1 1 1      37   16    3 o    1.950000      0.6430000       2.432000 1.058000       1.469000      0.7317000      0.9631000       1.286000
  1 1 1      37   17    0 o    1.964000      0.6497000       1.960000 0.9157000       1.968000      0.9220000     -0.8430000E-02   1.299000
  1 1 1      37   17    1 o    5.994000      0.6135000       6.070000 0.8454000       5.918000      0.8892000      0.1519000       1.227000
  1 1 1      37   17    2 o    1.936000      0.5903000       2.346000 0.9270000       1.526000      0.7311000      0.8202000       1.181000
  1 1 1      37   17    3 o    3.107000      0.8164000       3.167000 1.194000       3.047000       1.114000      0.1205000       1.633000
  1 1 1      37   18    0 o    3.681000      0.6527000       4.430000 0.8829000       2.933000      0.9614000       1.497000       1.305000
  1 1 1      37   18    1 o    3.419000      0.7875000       2.640000 1.085000       4.198000       1.142000      -1.558000       1.575000
  1 1 1      37   18    2 o    2.706000      0.6733000       2.963000 0.9690000       2.450000      0.9351000      0.5134000       1.347000
  1 1 1      37   18    3 o    3.270000      0.8190000       3.351000 1.165000       3.189000       1.151000      0.1617000       1.638000
  1 1 1      37   19    0 o    4.180000      0.6266000       3.184000 1.029000       5.176000      0.7157000      -1.992000       1.253000
  1 1 1      37   19    1 o    5.824000      0.6820000       6.490000 0.8360000       5.158000       1.078000       1.332000       1.364000
  1 1 1      37   19    2 o    2.505000      0.7554000       2.601000 1.077000       2.408000       1.060000      0.1930000       1.511000
